# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-02T15:20:06+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2012 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1501645","8.2787","0.0006","12.8802","0.001","21.4315","0.0018","90","","94.937","0.007","90","","2276.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[CoCl(dmgH)2(C5H4N-PO3Et2)]","","","- C17 H28 Cl Co N5 O7 P -","- C17 H28 Cl Co N5 O7 P -","- C68 H112 Cl4 Co4 N20 O28 P4 -","4","1","","Lakadamyali, Fezile; Kato, Masaru; Reisner, Erwin","Colloidal metal oxide particles loaded with synthetic catalysts for solar H2 production","Faraday Discussions","2012","155","","191","","10.1039/c1fd00077b","","","0.71073","MoKα","","0.0515","0.0319","","","0.0662","0.0685","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501646","9.2173","0.0005","9.9916","0.0008","22.5665","0.0017","90","","90","","90","","2078.3","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl N O4 -","- C26 H20 Cl N O4 -","- C104 H80 Cl4 N4 O16 -","4","1","","Kotani, Hiroaki; Ohkubo, Kei; Fukuzumi, Shunichi","Formation of a long-lived electron-transfer state of a naphthalene‒quinolinium ion dyad and the π-dimer radical cation","Faraday Discussions","2012","155","","89","","10.1039/c1fd00084e","","","0.7107","MoKα","","0.0798","0.0653","","","0.1852","0.2084","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501647","44.6606","0.0012","13.7072","0.0004","29.2555","0.0008","90","","98.463","0.001","90","","17714.4","0.9","100","0.2","100","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H81 Br4 N3 P6 Re3 S4 -","- C84 H72 Br4 N3 P6 Re3 S4 -","- C672 H576 Br32 N24 P48 Re24 S32 -","8","1","","Sergey Konchenko; Rosa Llusar; Pavel Petrov; Aleksandr Virovets; Artem Bogomyakov; Carlos Gomez Garcia; Victor Polo","Synthesis, molecular and electronic structure of an incomplete cuboidal Re3S4 cluster with an unusual quadruplet ground state","Che. Commun.","2012","48","","2713","","10.1039/c2cc17287a","","","0.71073","MoKα","","0.0473","0.0339","","","0.0915","0.0976","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501648","13.6395","0.0003","15.3991","0.0003","22.8431","0.0005","80.532","0.001","72.639","0.001","83.432","0.001","4506.04","0.17","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C82.5 H81 Br2.6 Cl10.4 P6 Re3 S4 -","- C82.5 H72 Br2.599 Cl10.4 P6 Re3 S4 -","- C165 H144 Br5.198 Cl20.8 P12 Re6 S8 -","2","1","","Sergey Konchenko; Rosa Llusar; Pavel Petrov; Aleksandr Virovets; Artem Bogomyakov; Carlos Gomez Garcia; Victor Polo","Synthesis, molecular and electronic structure of an incomplete cuboidal Re3S4 cluster with an unusual quadruplet ground state","Che. Commun.","2012","48","","2713","","10.1039/c2cc17287a","","","0.71073","MoKα","","0.0761","0.0497","","","0.1151","0.129","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503454","6.2608","0.0002","27.9762","0.002","11.5615","0.0004","89.99","0.006","90.002","0.006","89.995","0.006","2025.04","0.17","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","2","","Zhang, Hankun; Tückmantel, Werner; Eaton, J. Brek; Yuen, Po-Wai; Yu, Li-Fang; Bajjuri, Krishna Mohan; Fedolak, Allison; Wang, Daguang; Ghavami, Afshin; Caldarone, Barbara; Paterson, Neil E.; Lowe, David A.; Brunner, Daniela; Lukas, Ronald J.; Kozikowski, Alan P.","Chemistry and Behavioral Studies Identify Chiral Cyclopropanes as Selective α4β2-Nicotinic Acetylcholine Receptor Partial Agonists Exhibiting an Antidepressant Profile.","Journal of medicinal chemistry","2012","55","2","717","724","10.1021/jm201157c","","","1.54187","CuKα","","","0.0584","","","","0.1598","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503455","10.18411","0.00014","14.96067","0.00018","9.13052","0.00013","90","","99.2862","0.0014","90","","1372.9","0.03","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br N3 O2 S -","- C12 H16 Br N3 O2 S -","- C48 H64 Br4 N12 O8 S4 -","4","1","","Baud, Matthias G. J.; Leiser, Thomas; Haus, Patricia; Samlal, Sharon; Wong, Ai Ching; Wood, Robert J.; Petrucci, Vanessa; Gunaratnam, Mekala; Hughes, Siobhan M.; Buluwela, Lakjaya; Turlais, Fabrice; Neidle, Stephen; Meyer-Almes, Franz-Josef; White, Andrew J. P.; Fuchter, Matthew J.","Defining the Mechanism of Action and Enzymatic Selectivity of Psammaplin A against Its Epigenetic Targets.","Journal of medicinal chemistry","2012","55","4","1731","1750","10.1021/jm2016182","","","0.71073","MoKα","","0.0401","0.024","","","0.0518","0.0532","","","","","","0.927","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503456","11.6351","0.0009","16.2914","0.0012","20.4165","0.0013","75.588","0.006","87.355","0.006","77.305","0.007","3656.4","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C155 H176 N4 O9 -","- C155 H176 N4 O9 -","- C155 H176 N4 O9 -","1","1","","Gibson, Harry W.; Wang, Hong; Niu, Zhenbin; Slebodnick, Carla; Zhakharov, Lev N.; Rheingold, Arnold L.","Rotaxanes from Tetralactams","Macromolecules","2012","45","3","1270","","10.1021/ma202373x","","x-ray","1.54178","CuKα","","0.1877","0.1011","","","0.2651","0.3075","","","","","","0.828","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503457","10.99","0.0002","11.295","0.0003","11.649","0.0002","117.001","0.001","95.826","0.0014","104.191","0.0012","1210.58","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C62 H46 N2 O6 -","2","1","","Lee, Chung-Chieh; Leung, Man-kit; Lee, Pei-Yu; Chiu, Tien-Lung; Lee, Jiun-Haw; Liu, Chun; Chou, Pi-Tai","Synthesis and Properties of Oxygen-LinkedN-Phenylcarbazole Dendrimers","Macromolecules","2012","45","2","751","","10.1021/ma202433y","","","0.71073","MoKα","","0.1039","0.0517","","","0.1425","0.1757","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503458","21.9636","0.0011","12.4959","0.0007","23.6723","0.0016","90","","101.38","0.004","90","","6369.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Fe2 O2 Si4 -","- C30 H44 Fe2 O2 Si4 -","- C240 H352 Fe16 O16 Si32 -","8","2","","Bruña, Sonia; González-Vadillo, Ana M; Nieto, Daniel; Pastor, César J.; Cuadrado, Isabel","Redox-Active Macrocyclic and Linear Oligo-Carbosiloxanes Prepared via Hydrosilylation from 1,3-Divinyl-1,3-Dimethyl-1,3-Diferrocenyldisiloxane","Macromolecules","2012","45","2","781","","10.1021/ma202521n","","","0.71073","MoKα","","0.0826","0.047","","","0.1051","0.1307","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503459","8.90851","0.00016","15.3789","0.0003","12.3961","0.0009","90","","102.989","0.007","90","","1654.85","0.14","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","2","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0314","","","","0.081","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503460","5.68762","0.0001","13.586","0.0003","24.108","0.0017","90","","90","","90","","1862.87","0.14","123.1","","123.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0313","","","","0.0792","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503461","8.4841","0.0006","35.0879","0.0006","12.7693","0.0009","90","","109.561","0.008","90","","3581.9","0.4","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21.25 H20.69 O6.1 -","- C21.25 H20.6935 O6.09675 -","- C170 H165.548 O48.774 -","8","4","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0847","","","","0.231","","","","","","1.048","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1503462","5.205","0.0003","18.0275","0.001","8.0225","0.0006","90","","92.299","0.007","90","","752.17","0.08","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0353","","","","0.0897","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503463","11.5565","0.0007","14.6892","0.001","22.021","0.0015","90","","90","","90","","3738.2","0.4","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H53 N O8 -","- C41 H53 N O8 -","- C164 H212 N4 O32 -","4","1","","Long, Christophe; Beck, Joséphine; Cantagrel, Frédéric; Marcourt, Laurence; Vendier, Laure; David, Bruno; Plisson, Fabien; Derguini, Fadila; Vandenberghe, Isabelle; Aussagues, Yannick; Ausseil, Frédéric; Lavaud, Catherine; Sautel, François; Massiot, Georges","Proteasome Inhibitors from Neoboutonia melleri.","Journal of natural products","2012","75","1","34","47","10.1021/np200441h","","","0.71073","MoKα","","0.0558","0.0394","","","0.0972","0.1086","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503464","17.48","0.04","7.99","0.018","12.93","0.03","90","","132.34","0.03","90","","1335","5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Asperolide A","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui","Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.","Journal of natural products","2012","75","2","148","152","10.1021/np2006742","","","0.71073","MoKα","","0.1361","0.0922","","","0.2362","0.2889","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503465","7.7085","0.0015","9.851","0.002","10.445","0.002","80.9","0.03","69.55","0.03","67.39","0.03","685.8","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","wentilactone B","","","- C16 H18 O5 -","- C16 H18 O5 -","- C32 H36 O10 -","2","2","","Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui","Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.","Journal of natural products","2012","75","2","148","152","10.1021/np2006742","","","0.71073","MoKα","","0.0787","0.0731","","","0.2007","0.2101","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503466","12.48","0.003","13.14","0.003","21.92","0.004","90","","90","","90","","3594.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Metacridamide A","","","- C37 H55 N O6 -","- C37 H55 N O6 -","- C148 H220 N4 O24 -","4","1","","Krasnoff, Stuart B.; Englich, Ulrich; Miller, Paula G.; Shuler, Michael L.; Glahn, Raymond P.; Donzelli, Bruno G. G.; Gibson, Donna M.","Metacridamides A and B, Macrocycles from Conidia of the Entomopathogenic Fungus Metarhizium acridum.","Journal of natural products","2012","75","2","175","180","10.1021/np2007044","","","0.9177","Synchrotron","","0.0531","0.0497","","","0.1287","0.1315","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503467","10.9243","0.0019","7.6452","0.0013","13.624","0.002","90","","92.005","0.003","90","","1137.2","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.","Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.","Journal of natural products","2012","75","2","181","188","10.1021/np200759h","","","0.71073","MoKα","","0.0873","0.0502","","","0.1103","0.1287","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503468","7.9956","0.0008","12.2939","0.0013","11.3263","0.0011","90","","91.511","0.002","90","","1112.96","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.","Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.","Journal of natural products","2012","75","2","181","188","10.1021/np200759h","","","0.71073","MoKα","","0.0457","0.0395","","","0.1059","0.1118","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503469","5.6703","0.001","10.858","0.002","23.955","0.004","90","","90","","90","","1474.9","0.4","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun","Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.","Journal of natural products","2012","75","2","189","197","10.1021/np200766d","","","0.71073","MoKα","","0.0487","0.0357","","","0.0813","0.0879","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503470","5.3587","0.0011","13.167","0.003","11.052","0.002","90","","99.957","0.004","90","","768.1","0.3","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O8 -","- C16 H22 O9 -","- C32 H44 O18 -","2","1","","Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun","Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.","Journal of natural products","2012","75","2","189","197","10.1021/np200766d","","","0.71073","MoKα","","0.0382","0.0327","","","0.0833","0.0876","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503471","8.3669","0.0006","17.2652","0.0012","20.0508","0.0014","90","","90","","90","","2896.5","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Ponnapalli, M. Gowri; Annam, S Ch V A Rao; Ravirala, Saidulu; Sukki, Sushma; Ankireddy, Madhu; Tuniki, V. Raju","Unusual Isomeric Corniculatolides from Mangrove, Aegiceras corniculatum.","Journal of natural products","2012","75","2","275","279","10.1021/np200789s","","","0.71073","MoKα","","0.0436","0.0409","","","0.095","0.0968","","","","","","1.09","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503472","6.2359","0.0012","20.924","0.004","15.489","0.003","90","","91.34","0.03","90","","2020.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F N O3 S -","- C22 H24 F N O3 S -","- C88 H96 F4 N4 O12 S4 -","4","1","","Li, Xiao-Xiao; Zhu, Li-Li; Zhou, Wen; Chen, Zili","Formal intermolecular [2 + 2] cycloaddition reaction of alleneamides with alkenes via gold catalysis.","Organic letters","2012","14","2","436","439","10.1021/ol202703a","","","0.71073","MoKα","","0.0779","0.0568","","","0.1446","0.1619","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503473","8.4193","0.0013","9.0149","0.0012","23.033","0.003","91.14","0.004","99.797","0.004","117.495","0.006","1518.4","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 F2 N2 O4 S2 -","- C34 H32 F2 N2 O4 S2 -","- C68 H64 F4 N4 O8 S4 -","2","1","","Li, Xiao-Xiao; Zhu, Li-Li; Zhou, Wen; Chen, Zili","Formal intermolecular [2 + 2] cycloaddition reaction of alleneamides with alkenes via gold catalysis.","Organic letters","2012","14","2","436","439","10.1021/ol202703a","","","0.71073","MoKα","","0.0492","0.0325","","","0.0717","0.0748","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503474","8.5292","0.0017","9.4437","0.0018","9.5965","0.0018","61.113","0.002","78.878","0.006","64.12","0.009","608.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","diphenylammonium sulfate","","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C24 H26 N2 O8 S2 -","2","1","","Sakakura, Akira; Koshikari, Yoshiki; Akakura, Matsujiro; Ishihara, Kazuaki","Hydrophobic N,N-diarylammonium pyrosulfates as dehydrative condensation catalysts under aqueous conditions.","Organic letters","2012","14","1","30","33","10.1021/ol2027366","","","0.71073","MoKα","","0.0621","0.0602","","","0.1544","0.1567","","","","","","1.252","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503475","11.3832","0.0006","11.7346","0.0006","13.7133","0.0007","84.235","0.001","73.974","0.001","80.192","0.001","1732.1","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","2","","Cao, Jian; Xu, Yongping; Kong, Yulong; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai; Deng, Yuan; Lai, Guoqiao","Synthesis of δ-carbolines via a Pd-catalyzed sequential reaction from 2-iodoanilines and N-tosyl-enynamines.","Organic letters","2012","14","1","38","41","10.1021/ol2027762","","","0.71073","MoKα","","0.0649","0.044","","","0.1366","0.1739","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503476","11.4305","0.0008","25.443","0.002","12.0501","0.0008","90","","90","","90","","3504.5","0.4","110","","110","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C48 H36 N2 O2 -","- C48 H36 N2 O2 -","- C192 H144 N8 O8 -","4","0.5","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","1.5418","CuKα","","0.0433","0.04","","0.1145","0.1097","0.1145","","","","","","0.9889","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503477","34.248","0.005","12.589","0.005","20.845","0.005","90","","124.556","0.005","90","","7402","4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N2 O2 -","- C48 H34 Cl2 N2 O2 -","- C384 H272 Cl16 N16 O16 -","8","1","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","0.71069","MoKα","","0.1569","0.0902","","0.1907","0.107","0.0999","","","","","","0.8814","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1503478","9.824","0.001","24.577","0.002","12.167","0.001","90","","107.43","0.01","90","","2802.8","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H68 N2 O6 -","- C68 H68 N2 O6 -","- C136 H136 N4 O12 -","2","1","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","1.5418","CuKα","","0.0549","0.0508","","0.146","0.1367","0.146","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503479","15.359","0.005","23.994","0.005","10.421","0.005","90","","93.476","0.005","90","","3833","2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 N2 O2 -","- C46 H32 N2 O2 -","- C184 H128 N8 O8 -","4","0.5","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","0.71069","MoKα","","0.144","0.0658","","0.1504","0.0741","0.0741","","","","","","1.1294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503480","12.319","0.0003","14.533","0.0003","16.017","0.0004","64.082","0.0011","69.33","0.0011","66.126","0.0013","2303.78","0.1","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C27 H28 N6 O -","- C27 H28 N6 O -","- C108 H112 N24 O4 -","4","2","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.1294","0.0689","","","0.1817","0.219","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503481","26.6002","0.0006","12.4004","0.0008","17.7239","0.0012","90","","120.646","0.005","90","","5029.8","0.5","100","","100","","","","","","","","LOC ETH Zurich","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N6 -","- C30 H26 N6 -","- C240 H208 N48 -","8","1","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.121","0.0849","","","0.2215","0.2435","","","","","","1.442","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503482","11.504","0.0007","12.1136","0.0007","12.853","0.0008","100.552","0.002","98.525","0.002","96.793","0.003","1721.79","0.18","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C75 H80 N14 O -","- C75 H80 N14 O -","- C75 H80 N14 O -","1","0.5","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.1624","0.0988","","","0.2314","0.2618","","","","","","1.28","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503483","7.2402","0.0013","11.587","0.002","13.95","0.004","89.683","0.008","78.116","0.009","74.635","0.013","1102.8","0.4","100","","100","","","","","","","","LOC ETH Zurich","3","P 1","P 1","1","","","","- C55 H46 N10 -","- C55 H46 N10 -","- C55 H46 N10 -","1","1","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.2572","0.138","","","0.2811","0.3595","","","","","","1.267","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503484","12.57","0.003","12.57","","23.061","0.005","90","","90","","120","","3155.6","1","150","2","150","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C126 H180 N12 O24 -","6","1","","Jacolot, Maiwenn; Jean, Mickael; Levoin, Nicolas; van de Weghe, Pierre","The Prins reaction using ketones: rationalization and application toward the synthesis of the portentol skeleton.","Organic letters","2012","14","1","58","61","10.1021/ol202829u","","x-ray","0.71073","MoKα","","0.0473","0.0363","","","0.0798","0.085","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503485","11.317","0.002","12.747","0.003","15.369","0.003","75.186","0.003","78.547","0.003","84","0.003","2097.3","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 S2 Si2 -","- C48 H54 S2 Si2 -","- C96 H108 S4 Si4 -","2","1","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.098","0.054","","","0.1295","0.153","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503486","11.1453","0.0011","16.4944","0.0016","26.181","0.003","88.4584","0.0013","85.4059","0.0014","89.7663","0.0013","4795.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C216 H264 S8 Si8 -","4","2","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.1007","0.0599","","","0.1313","0.1527","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503487","8.9292","0.0004","15.2194","0.0006","18.4144","0.0008","83.0261","0.0005","76.3552","0.0005","88.7465","0.0005","2413.78","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C108 H132 S4 Si4 -","2","1","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.0602","0.0451","","","0.1255","0.1395","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503488","19.9856","0.0008","9.602","0.0003","9.2975","0.0003","90","","90","","90","","1784.21","0.11","100","","100","","","","","","","","LOC ETH Zurich","5","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M.","Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks.","Organic letters","2012","14","1","66","69","10.1021/ol2028459","","","0.71073","MoKα","","0.0633","0.0423","","","0.1041","0.1185","","","","","","0.816","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503489","23.477","0.003","23.477","0.003","12.0406","0.0013","90","","90","","120","","5747.3","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","6-tosyl-1-oxa-6-azaspiro[3.3]heptan-3-ol","","- C12 H15.67 N O4.33 S -","- C12 H15.6667 N O4.33333 S -","- C216 H282 N18 O78 S18 -","18","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M.","Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks.","Organic letters","2012","14","1","66","69","10.1021/ol2028459","","","0.71073","MoKα","","0.0648","0.0518","","","0.1623","0.1772","","","","","","1.299","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1503490","12.7011","0.00015","5.87973","0.00007","29.5998","0.0004","90","","91.6291","0.0011","90","","2209.59","0.05","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N O -","- C30 H27 N O -","- C120 H108 N4 O4 -","4","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0413","0.0357","","","0.0968","0.1002","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503491","7.5553","0.0007","10.2402","0.0008","14.3883","0.0015","94.865","0.008","90.429","0.008","101.756","0.007","1085.56","0.18","123","","123","","","","","","","","see text","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0577","0.0504","","","0.1295","0.1333","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503492","9.1545","0.0005","21.6152","0.001","8.6185","0.0003","90","","98.632","0.004","90","","1686.08","0.14","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0767","0.0501","","","0.1233","0.1373","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503493","11.8807","0.001","19.0098","0.0016","8.062","0.0007","90","","90","","90","","1820.8","0.3","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.0628","0.0531","","","0.1242","0.1297","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503494","6.1676","0.0009","13.819","0.002","26.298","0.004","90","","90","","90","","2241.4","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C100 H108 N12 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.1173","0.0561","","","0.1179","0.1533","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503495","5.7843","0.0007","21.111","0.003","21.215","0.003","90","","90","","90","","2590.6","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O4 -","- C25 H26 Br N3 O4 -","- C100 H104 Br4 N12 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.0863","0.0526","","","0.1334","0.1466","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503496","8.5445","0.0006","13.2014","0.001","12.4279","0.0011","90","","102.815","0.002","90","","1366.94","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","1","","Wang, Xiaoqiang; Jin, Yunhe; Zhao, Yufen; Zhu, Lin; Fu, Hua","Copper-catalyzed aerobic oxidative intramolecular C-H amination leading to imidazobenzimidazole derivatives.","Organic letters","2012","14","2","452","455","10.1021/ol202884z","","","0.71073","MoKα","","0.049","0.041","","","0.085","0.0879","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503497","13.6228","0.0017","6.4397","0.0008","17.484","0.002","90","","95.313","0.002","90","","1527.2","0.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Adachi, Masaatsu; Higuchi, Keiko; Thasana, Nopporn; Yamada, Hitomi; Nishikawa, Toshio","Stereocontrolled synthesis of an indole moiety of sespendole and stereochemical assignment of the side chain.","Organic letters","2012","14","1","114","117","10.1021/ol202895u","","","0.71073","MoKα","","0.0953","0.069","","","0.1841","0.2037","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503498","30.0284","0.0004","30.0284","0.0004","9.5833","0.0002","90","","90","","120","","7483.6","0.2","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C15 H24 O3 Si -","- C15 H24 O3 Si -","- C270 H432 O54 Si18 -","18","1","","Bartoli, Alexandra; Chouraqui, Gaëlle; Parrain, Jean-Luc","Collective domino approach toward the core of molecules isolated from the genus Schisandra.","Organic letters","2012","14","1","122","125","10.1021/ol2029146","","x-ray","0.71073","MoKα","","0.0813","0.0516","","","0.1527","0.1925","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503499","9.9429","0.0012","10.034","0.0013","19.916","0.002","90","","95.124","0.003","90","","1979","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N S -","- C25 H21 N S -","- C100 H84 N4 S4 -","4","1","","Hemming, Karl; Khan, Musharraf N.; Kondakal, Vishnu V. R.; Pitard, Arnaud; Qamar, M. Ilyas; Rice, Craig R.","Pyridines from azabicyclo[3.2.0]hept-2-en-4-ones through a proposed azacyclopentadienone.","Organic letters","2012","14","1","126","129","10.1021/ol202924s","","","0.71073","MoKα","","0.0799","0.0441","","","0.1013","0.1179","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503500","7.2587","0.0007","10.3598","0.001","16.6645","0.0016","90","","90","","90","","1253.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N3 O3 -","- C12 H10 Br N3 O3 -","- C48 H40 Br4 N12 O12 -","4","1","","Liu, Lu; Wu, Deyan; Zheng, Shu; Li, Tengfei; Li, Xiangmin; Wang, Sinan; Li, Jian; Li, Hao; Wang, Wei","Synthesis of highly functionalized chiral 3,3'-disubstituted oxindoles via an organocatalytic enantioselective Michael addition of nitroalkanes to indolylidenecyanoacetates.","Organic letters","2012","14","1","134","137","10.1021/ol202931e","","","0.71073","MoKα","","0.0519","0.0452","","","0.1124","0.1168","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503501","6.9954","0.0004","11.7795","0.0007","29.5906","0.0017","90","","90","","90","","2438.3","0.2","293","2","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bicyclo[4.2.0]octa-2,4-diene derivative","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Kim, Keunsoo; Lauher, Joseph W.; Parker, Kathlyn A.","Asymmetric induction in 8π electrocyclizations. Design of a removable chiral auxiliary.","Organic letters","2012","14","1","138","141","10.1021/ol202932x","","","0.7107","MoKα","","0.1397","0.0364","","","0.0624","0.075","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503502","9.9252","0.0018","10.0516","0.0018","11.659","0.002","67.709","0.003","69.292","0.003","66.289","0.003","957.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C48 H46 N2 O4 -","2","1","","Fournier, Anne M.; Clayden, Jonathan","Tertiary alcohols by tandem β-carbolithiation and N→C aryl migration in enol carbamates.","Organic letters","2012","14","1","142","145","10.1021/ol2029355","","","0.71073","MoKα","","0.1111","0.053","","","0.0721","0.0853","","","","","","0.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503503","9.807","0.004","23.295","0.01","21.312","0.009","90","","90.032","0.009","90","","4869","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O2 -","- C28 H33 N O2 -","- C224 H264 N8 O16 -","8","2","","Fournier, Anne M.; Clayden, Jonathan","Tertiary alcohols by tandem β-carbolithiation and N→C aryl migration in enol carbamates.","Organic letters","2012","14","1","142","145","10.1021/ol2029355","","","0.71073","MoKα","","0.2003","0.0806","","","0.1116","0.1473","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503504","16.897","0.003","7.9962","0.0012","14.334","0.002","90","","91.242","0.003","90","","1936.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl2 O2 -","- C23 H22 Cl2 O2 -","- C92 H88 Cl8 O8 -","4","1","","Sautier, Brice; Lyons, Sarah E.; Webb, Michael R.; Procter, David J.","Radical cyclization cascades of unsaturated Meldrum's acid derivatives.","Organic letters","2012","14","1","146","149","10.1021/ol2029367","","","0.71073","MoKα","","0.0475","0.0402","","","0.1043","0.108","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503505","11.3127","0.0012","11.5028","0.0012","17.0515","0.0018","76.16","0.002","74.987","0.002","81.589","0.002","2072.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Cl2 O3 -","- C24 H24 Cl2 O3 -","- C96 H96 Cl8 O12 -","4","2","","Sautier, Brice; Lyons, Sarah E.; Webb, Michael R.; Procter, David J.","Radical cyclization cascades of unsaturated Meldrum's acid derivatives.","Organic letters","2012","14","1","146","149","10.1021/ol2029367","","","0.71073","MoKα","","0.0529","0.044","","","0.1021","0.107","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503506","8.3674","0.0005","10.8816","0.001","28.719","0.002","90","","90","","90","","2614.9","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Farimani, M. Moridi; Taheri, Salman; Ebrahimi, Samad N.; Bahadori, M. Babak; Khavasi, Hamid R.; Zimmermann, Stefanie; Brun, Reto; Hamburger, Matthias","Hydrangenone, a new isoprenoid with an unprecedented skeleton from Salvia hydrangea.","Organic letters","2012","14","1","166","169","10.1021/ol202953b","","","0.71073","MoKα","","0.1237","0.0691","","","0.109","0.1231","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503507","8.1046","0.0008","16.1014","0.0015","16.2436","0.0016","80.001","0.001","82.991","0.001","83.36","0.001","2062.2","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","dinaphthylsilanediol with diethyl ether solvate","","","- C24 H26 O3 Si -","- C24 H26 O3 Si -","- C96 H104 O12 Si4 -","4","2","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Cooperative hydrogen-bonding effects in silanediol catalysis.","Organic letters","2012","14","1","186","189","10.1021/ol202971m","","","0.71073","MoKα","","0.0497","0.0378","","","0.0985","0.1078","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503508","9.389","0.003","19.374","0.006","8.611","0.003","90","","93.933","0.004","90","","1562.7","0.9","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dinaphthylsilanediol","","","- C20 H16 O2 Si -","- C20 H16 O2 Si -","- C80 H64 O8 Si4 -","4","1","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Cooperative hydrogen-bonding effects in silanediol catalysis.","Organic letters","2012","14","1","186","189","10.1021/ol202971m","","","0.71073","MoKα","","0.0585","0.036","","","0.0829","0.0961","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503509","22.06","0.0019","6.295","0.0006","34.93","0.003","90","","90","","90","","4850.6","0.7","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[5-Azido-10,20-diphenylporphyrinato]nickel(II)","","- C32 H19 N7 Ni -","- C32 H19 N7 Ni -","- C256 H152 N56 Ni8 -","8","1","","Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi","Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.","Organic letters","2012","14","1","190","193","10.1021/ol202973z","","","0.71073","MoKα","","0.0854","0.0555","","","0.1243","0.1384","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503510","19.929","0.004","17.419","0.003","7.3381","0.0014","90","","93.911","0.004","90","","2541.4","0.8","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[5,15-Diazido-10,20-diphenylporphyrinato]nickel(II)","","- C32 H18 N10 Ni -","- C32 H18 N10 Ni -","- C128 H72 N40 Ni4 -","4","1","","Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi","Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.","Organic letters","2012","14","1","190","193","10.1021/ol202973z","","","0.71073","MoKα","","0.0963","0.0565","","","0.1488","0.1854","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503511","15.131","0.008","11.066","0.005","19.286","0.009","90","","101.158","0.008","90","","3168","3","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H80 Cl2 Cu2 N4 O3 P2 -","- C63.3568 H80 Cl2 Cu2 N4 O2.788 P2 -","- C126.714 H160 Cl4 Cu4 N8 O5.576 P4 -","2","1","","Osako, Takao; Panichakul, Duanghathai; Uozumi, Yasuhiro","Enantioselective carbenoid insertion into phenolic O-H bonds with a chiral copper(I) imidazoindolephosphine complex.","Organic letters","2012","14","1","194","197","10.1021/ol202977j","","","0.7107","MoKα","","","0.0576","","","","0.1123","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503512","9.4821","0.0005","9.8407","0.0005","12.7059","0.0007","71.701","0.002","75.391","0.002","79.222","0.002","1081.72","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O11 -","- C24 H20 O11 -","- C48 H40 O22 -","2","1","","Gidron, Ori; Shimon, Linda J. W.; Leitus, Gregory; Bendikov, Michael","Reactivity of long conjugated systems: selectivity of Diels-Alder cycloaddition in oligofurans.","Organic letters","2012","14","2","502","505","10.1021/ol202987e","","","0.71073","MoKα","","0.0496","0.0386","","","0.1044","0.1121","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503513","6.0151","0.0012","10.963","0.002","20.032","0.004","90","","90","","90","","1321","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C64 H44 N4 O20 -","4","1","","Gidron, Ori; Shimon, Linda J. W.; Leitus, Gregory; Bendikov, Michael","Reactivity of long conjugated systems: selectivity of Diels-Alder cycloaddition in oligofurans.","Organic letters","2012","14","2","502","505","10.1021/ol202987e","","","0.71073","MoKα","","0.0562","0.0381","","","0.0846","0.0926","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503514","5.8327","0.0001","10.1818","0.0002","33.8568","0.0008","90","","94.4233","0.0008","90","","2004.68","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.0781","0.0593","","0.1481","0.1385","0.1481","","","","","","1.0178","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503515","9.9186","0.0003","13.6626","0.0005","15.7674","0.0005","109.51","0.003","92.589","0.003","104.121","0.003","1934.32","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H57 Cl N2 O3 -","- C42 H57 Cl N2 O3 -","- C84 H114 Cl2 N4 O6 -","2","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.5418","CuKα","","0.0653","0.062","","0.1774","0.1756","0.1774","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503516","11.68976","0.00018","14.9507","0.0002","18.3439","0.0003","90","","90","","90","","3205.97","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O2 -","- C38 H46 N2 O2 -","- C152 H184 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.54184","CuKα","","0.0403","0.0365","","0.0936","0.0894","0.0936","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503517","17.6291","0.0003","11.7882","0.0002","18.3855","0.0004","90","","116.637","0.0009","90","","3415.28","0.11","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 N2 O2 -","- C39 H48 N2 O2 -","- C156 H192 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.0723","0.0534","","0.138","0.1252","0.1378","","","","","","0.9928","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503518","17.711","0.0006","12.0009","0.0004","18.5046","0.0006","90","","116.31","0.0014","90","","3525.7","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 N2 O2 -","- C41 H52 N2 O2 -","- C164 H208 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.1713","0.0632","","0.1171","0.0627","0.0627","","","","","","1.1484","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503519","10.26594","0.00007","9.75883","0.00008","17.96995","0.00014","90","","98.0805","0.0007","90","","1782.42","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O4 -","- C40 H50 N2 O4 -","- C80 H100 N4 O8 -","2","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.54184","CuKα","","0.0463","0.0456","","0.1336","0.1326","0.1336","","","","","","1.0828","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503520","13.5392","0.0006","6.7124","0.0004","20.4694","0.001","90","","90","","90","","1860.27","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 N2 O2 -","- C8 H16 N2 O2 -","- C64 H128 N16 O16 -","8","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.5418","CuKα","","0.0708","0.0608","","0.1994","0.1944","0.1994","","","","","","1.1802","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503521","27.33","0.003","5.2842","0.0005","14.3245","0.0014","90","","100.363","0.001","90","","2035","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","09204a","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.","Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.","Organic letters","2012","14","1","234","237","10.1021/ol2030179","","","0.71073","MoKα","","0.0511","0.0375","","","0.0856","0.0932","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503522","5.938","0.0001","7.9686","0.0002","27.9472","0.0006","90","","90","","90","","1322.39","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.","Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.","Organic letters","2012","14","1","234","237","10.1021/ol2030179","","","1.54178","CuKα","","0.0356","0.0318","","","0.0785","0.0808","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503523","8.3229","0.0013","9.1982","0.0015","16.957","0.002","78.594","0.016","85.87","0.02","89.47","0.02","1269.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18.18 Cl2.82 N3 O4 -","- C29 H18.182 Cl2.818 N3 O4 -","- C58 H36.364 Cl5.636 N6 O8 -","2","1","","Li, Chengjie; Zhang, Tianyi; Zeng, Zhe; Liu, Xiujun; Zhao, Yunfeng; Zhang, Bao; Feng, Yaqing","A new route to indazolone via amidation reaction of o-carboxyazobenzene.","Organic letters","2012","14","2","479","481","10.1021/ol203020x","","","0.71073","MoKα","","0.0874","0.0525","","","0.0878","0.1012","","","","","","0.989","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503524","7.678","0.006","11.164","0.009","18.619","0.013","95.269","0.017","95.202","0.015","107.487","0.014","1504","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 B F N2 O2 -","- C15 H18 B F N2 O2 -","- C60 H72 B4 F4 N8 O8 -","4","2","","Jiang, Xin-Dong; Zhang, Jian; Furuyama, Taniyuki; Zhao, Weili","Development of mono- and di-AcO substituted BODIPYs on the boron center.","Organic letters","2012","14","1","248","251","10.1021/ol2030229","","","0.71073","MoKα","","0.1226","0.0824","","","0.2179","0.2437","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503525","15.8268","0.0002","14.2082","0.0003","8.8506","0.0002","90","","116.466","0.002","90","","1781.66","0.07","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H21 B N2 O4 -","- C17 H21 B N2 O4 -","- C68 H84 B4 N8 O16 -","4","0.5","","Jiang, Xin-Dong; Zhang, Jian; Furuyama, Taniyuki; Zhao, Weili","Development of mono- and di-AcO substituted BODIPYs on the boron center.","Organic letters","2012","14","1","248","251","10.1021/ol2030229","","","0.71073","MoKα","","0.1134","0.069","","","0.1944","0.2152","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503526","13.6242","0.0013","10.5606","0.001","14.0237","0.0013","90","","107.306","0.002","90","","1926.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RH-4-34","","","- C21 H26 N2 O4 S -","- C21 H26 N2 O4 S -","- C84 H104 N8 O16 S4 -","4","1","","Hayashi, Ryuji; Ma, Zhi-Xiong; Hsung, Richard P.","A tandem 1,3-H-shift-6π-electrocyclization-cyclic 2-amido-diene intramolecular Diels-Alder cycloaddition approach to BCD-Ring of atropurpuran.","Organic letters","2012","14","1","252","255","10.1021/ol203030a","","","0.71073","MoKα","","0.0737","0.0499","","","0.1137","0.1296","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503527","7.7364","0.0003","11.3727","0.0005","10.3702","0.0005","90","","93.049","0.001","90","","911.12","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","11254a","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","1","","Hayashi, Ryuji; Ma, Zhi-Xiong; Hsung, Richard P.","A tandem 1,3-H-shift-6π-electrocyclization-cyclic 2-amido-diene intramolecular Diels-Alder cycloaddition approach to BCD-Ring of atropurpuran.","Organic letters","2012","14","1","252","255","10.1021/ol203030a","","","0.71073","MoKα","","0.0306","0.0298","","","0.0751","0.0759","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503528","6.0812","0.0004","13.6176","0.0008","15.5864","0.0009","90","","90","","90","","1290.73","0.14","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Denmark, Scott E.; Burk, Matthew T.","Enantioselective bromocycloetherification by Lewis base/chiral Brønsted acid cooperative catalysis.","Organic letters","2012","14","1","256","259","10.1021/ol203033k","","","1.54178","CuKα","","0.0317","0.0305","","","0.0828","0.0838","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503529","6.152","0.0014","9.748","0.0013","26.381","0.004","90","","90","","90","","1582.1","0.5","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","1","","Broman, Søren Lindbæk; Petersen, Anne Ugleholdt; Tortzen, Christian Gregers; Vibenholt, Johan; Bond, Andrew D.; Nielsen, Mogens Brøndsted","A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.","Organic letters","2012","14","1","318","321","10.1021/ol2030586","","","0.71073","MoKα","","0.0599","0.0456","","","0.1033","0.1104","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503530","6.9618","0.0006","14.5124","0.0012","8.2473","0.0007","90","","110.215","0.003","90","","781.92","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Azulenium ion","","","- C18 H11 B F4 N2 -","- C18 H11 B F4 N2 -","- C36 H22 B2 F8 N4 -","2","1","","Broman, Søren Lindbæk; Petersen, Anne Ugleholdt; Tortzen, Christian Gregers; Vibenholt, Johan; Bond, Andrew D.; Nielsen, Mogens Brøndsted","A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.","Organic letters","2012","14","1","318","321","10.1021/ol2030586","","","0.71073","MoKα","","0.0421","0.0398","","","0.1039","0.1057","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503531","7.9713","0.0004","11.856","0.0008","19.9106","0.0013","89.124","0.005","87.531","0.004","86.362","0.005","1876","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 F6 N O9 P -","- C30 H44 F6 N O9 P -","- C60 H88 F12 N2 O18 P2 -","2","1","","Zheng, Bo; Zhang, Mingming; Dong, Shengyi; Liu, Jiyong; Huang, Feihe","A benzo-21-crown-7/secondary ammonium salt [c2]daisy chain.","Organic letters","2012","14","1","306","309","10.1021/ol203062w","","","1.54184","CuKα","","0.0738","0.0528","","","0.1035","0.111","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503532","7.7103","0.0003","13.3553","0.0004","11.7923","0.0004","90","","100.094","0.002","90","","1195.5","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","2","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0322","0.0308","","","0.0768","0.0782","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503533","9.1136","0.0006","11.9642","0.0008","13.0996","0.0008","90","","90","","90","","1428.34","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0628","0.047","","","0.1203","0.1302","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503534","9.6167","0.0007","11.4223","0.0008","15.7554","0.0011","90","","90","","90","","1730.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C56 H100 N4 O24 S4 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0659","0.0459","","","0.0958","0.1045","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503535","6.5524","0.0002","10.82","0.0003","28.23","0.0009","90","","90","","90","","2001.42","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O6 S -","- C17 H29 N O6 S -","- C68 H116 N4 O24 S4 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0575","0.0463","","","0.1095","0.1164","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503536","11.03","0.005","8.972","0.005","12.853","0.005","90","0.005","91.448","0.005","90","0.005","1271.5","1","291","2","291","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H22 F N3 O4 S2 -","- C26 H22 F N3 O4 S2 -","- C52 H44 F2 N6 O8 S4 -","2","1","","Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.","Organic letters","2012","14","2","490","493","10.1021/ol203081x","","","0.71073","MoKα","","0.0354","0.0323","","","0.0844","0.0865","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503537","11.244","0.0002","19.7631","0.0003","13.6481","0.0002","90","","92.766","0.002","90","","3029.3","0.08","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N4 O4 S2 -","- C33 H30 N4 O4 S2 -","- C132 H120 N16 O16 S8 -","4","1","","Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.","Organic letters","2012","14","2","490","493","10.1021/ol203081x","","","0.71073","MoKα","","0.0502","0.038","","","0.0893","0.0963","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503538","6.3","0.003","8.992","0.004","8.35","0.003","90","","94.468","0.007","90","","471.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 -","- C10 H11 Br O2 -","- C20 H22 Br2 O4 -","2","1","","Ginotra, Sandeep K.; Friest, Jacob A.; Berkowitz, David B.","Halocarbocyclization Entry into the Oxabicyclo[4.3.1]decyl Exomethylene-δ-Lactone Cores of Linearifolin and Zaluzanin A: Exploiting Combinatorial Catalysis.","Organic letters","2012","14","4","968","971","10.1021/ol203088g","","","0.71073","MoKα","","0.0443","0.0388","","","0.0866","0.0888","","","","","","1.007","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1503539","6.343","0.002","9.068","0.003","8.4","0.003","90","","94.432","0.005","90","","481.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 -","- C10 H11 Br O2 -","- C20 H22 Br2 O4 -","2","1","","Ginotra, Sandeep K.; Friest, Jacob A.; Berkowitz, David B.","Halocarbocyclization Entry into the Oxabicyclo[4.3.1]decyl Exomethylene-δ-Lactone Cores of Linearifolin and Zaluzanin A: Exploiting Combinatorial Catalysis.","Organic letters","2012","14","4","968","971","10.1021/ol203088g","","","0.71073","MoKα","","0.0721","0.0468","","","0.0957","0.1065","","","","","","1.003","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1503540","16.6297","0.0004","8.0075","0.0002","10.8932","0.0003","90","","91.258","0.001","90","","1450.21","0.06","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","tenuipyrone","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Asai, Teigo; Chung, Yu-Ming; Sakurai, Hiroaki; Ozeki, Tomoji; Chang, Fang-Rong; Yamashita, Kouwa; Oshima, Yoshiteru","Tenuipyrone, a novel skeletal polyketide from the entomopathogenic fungus, Isaria tenuipes, cultivated in the presence of epigenetic modifiers.","Organic letters","2012","14","2","513","515","10.1021/ol203097b","","","1.54186","CuKα","","0.0248","0.0244","","","0.0643","0.0648","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503541","9.9868","0.0005","30.2095","0.0015","11.8887","0.0005","90","","90","","90","","3586.8","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,7-bis(4-methylbenzyl)thieno[2,3-c:5,4-c']dipyridine-2,7-diium hexafluorophosphate(V) tris-acetontrile solvate","","- C32 H33 F12 N5 P2 S -","- C32 H33 F12 N5 P2 S -","- C128 H132 F48 N20 P8 S4 -","4","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","0.71073","MoKα","","0.1392","0.072","","","0.1611","0.2031","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503542","6.1108","0.0005","11.5152","0.0008","12.9622","0.0009","90","","99.776","0.008","90","","898.87","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,7-dimethylthieno[2,3-c:5,4-c']dipyridine-2,7-diium hexafluorophosphate(V)","","- C12 H12 F12 N2 P2 S -","- C12 H12 F12 N2 P2 S -","- C24 H24 F24 N4 P4 S2 -","2","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","1.54178","CuKα","","0.0885","0.0775","","","0.1986","0.2081","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503543","12.3446","0.0006","7.2892","0.0003","10.3201","0.0005","90","","105.901","0.005","90","","893.09","0.07","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[1,2]dithiino[3,4-c:6,5-c']dipyridine","","- C10 H6 N2 S2 -","- C10 H6 N2 S2 -","- C40 H24 N8 S8 -","4","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","0.71073","MoKα","","0.0277","0.0247","","","0.0655","0.0662","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503544","13.4563","0.0017","16.559","0.002","20.379","0.003","90","","96.937","0.002","90","","4507.7","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Cl N9 O7 -","- C43 H58 Cl N9 O7 -","- C172 H232 Cl4 N36 O28 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1568","0.0709","","","0.1696","0.2118","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503545","13.673","0.004","13.729","0.004","14.697","0.005","75.33","0.003","69.249","0.003","78.752","0.004","2478.8","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H58 Cl N9 O7 -","- C43 H22 Cl N9 O7 -","- C86 H44 Cl2 N18 O14 -","2","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1613","0.133","","","0.3715","0.4075","","","","","","1.533","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503546","19.8924","0.0018","18.594","0.0018","18.4455","0.0018","90","","90.145","0.002","90","","6822.6","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H100 Cl2 N12 O8 -","- C66 H77 Cl2 N12 O8 -","- C264 H308 Cl8 N48 O32 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.0906","0.0817","","","0.2391","0.2592","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503547","21.418","0.003","13.542","0.002","23.871","0.004","90","","112.779","0.002","90","","6383.6","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 Cl2 N14 O10 -","- C60 H60 Cl2 N14 O10 -","- C240 H240 Cl8 N56 O40 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1243","0.0779","","","0.2311","0.2732","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503548","13.469","0.002","13.882","0.002","24.624","0.004","85.928","0.002","86.382","0.002","71.005","0.002","4338.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H117 Cl2 N16 O10.5 -","- C80.75 H112 Cl2 N16 O10.25 -","- C161.5 H224 Cl4 N32 O20.5 -","2","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1409","0.0837","","","0.2521","0.3055","","","","","","1.025","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503549","20.36","0.003","14.2083","0.0018","26.254","0.003","90","","93.84","0.002","90","","7577.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H96 Cl2 N16 O10 -","- C72 H96 Cl2 N16 O10 -","- C288 H384 Cl8 N64 O40 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1442","0.0598","","","0.157","0.2054","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503550","7.45","0.0003","8.4761","0.0004","10.9301","0.0004","111.384","0.002","90.97","0.003","110.979","0.002","591.39","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 Cl O3 -","- C12 H17 Cl O3 -","- C24 H34 Cl2 O6 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0407","0.0352","","","0.0975","0.1075","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503551","10.0884","0.0004","10.8974","0.0006","14.8238","0.0007","90","","119.668","0.003","90","","1416.05","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl O4 -","- C13 H21 Cl O4 -","- C52 H84 Cl4 O16 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0698","0.0492","","","0.114","0.1239","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503552","13.2969","0.0004","10.1697","0.0005","9.6831","0.0004","90","","105.662","0.002","90","","1260.79","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0446","0.0376","","","0.097","0.1046","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503553","8.0876","0.0005","14.5181","0.0008","10.8895","0.0007","90","","122.497","0.004","90","","1078.4","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl O2 -","- C11 H17 Cl O2 -","- C44 H68 Cl4 O8 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0583","0.0425","","","0.1015","0.1101","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503554","7.6705","0.0002","26.6937","0.0008","8.6661","0.0003","90","","120.88","0.002","90","","1522.88","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O4 -","- C15 H23 Cl O4 -","- C60 H92 Cl4 O16 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0518","0.0421","","","0.1203","0.1339","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503555","8.4807","0.0006","8.7173","0.0008","10.2127","0.0009","102.494","0.003","103.958","0.005","95.693","0.005","706.18","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Cl O4 -","- C13 H21 Cl O4 -","- C26 H42 Cl2 O8 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0883","0.0766","","","0.2421","0.2476","","","","","","1.234","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503556","8.109","0.0004","8.3193","0.0004","11.0227","0.0003","103.803","0.003","95.754","0.003","117.584","0.002","620.57","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0416","0.0386","","","0.1183","0.121","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503557","6.8265","0.0005","9.4699","0.0008","24.772","0.002","90","","90","","90","","1601.4","0.2","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 B N O4 S -","- C13 H28 B N O4 S -","- C52 H112 B4 N4 O16 S4 -","4","1","","De Vries, Timothy S.; Majumder, Supriyo; Sandelin, Angela M.; Wang, Guoqiang; Vedejs, Edwin","Mechanistic variations in ionic hydrogenation of unsaturated phosphine and amine boranes.","Organic letters","2012","14","3","688","691","10.1021/ol2031203","","","0.71073","MoKα","","0.0332","0.033","","","0.0892","0.0893","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503558","7.0668","0.0011","17.519","0.004","24.193","0.004","90","","90","","90","","2995.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N5 O11 P -","- C26 H36 N5 O11 P -","- C104 H144 N20 O44 P4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective Synthesis of Quaternary α-Aminophosphonates via Conjugate Addition of α-Nitrophosphonates to Enones (§).","Organic letters","2012","14","4","980","983","10.1021/ol203132h","","","0.71073","MoKα","","0.4075","0.0971","","","0.1366","0.2165","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503559","6.8478","0.0002","6.6488","0.0002","17.2236","0.0004","90","","90.252","0.001","90","","784.18","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C32 H34 N2 O14 -","2","1","","Norsikian, Stéphanie; Soulé, Jean-François; Cannillo, Alexandre; Guillot, Régis; Dau, Marie-Elise Tran Huu; Beau, Jean-Marie","Remarkable stereoselectivity in intramolecular Borono-Mannich reactions: synthesis of conduramines.","Organic letters","2012","14","2","544","547","10.1021/ol203162s","","x-ray","0.71073","MoKα","","0.0485","0.0431","","","0.1125","0.1177","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503560","5.6131","0.0005","25.331","0.002","10.1079","0.0009","90","","91.766","0.002","90","","1436.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1137","0.0648","","","0.1364","0.1568","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503561","16.7103","0.0015","11.6052","0.001","12.5938","0.0011","90","","90","","90","","2442.3","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.0602","0.0445","","","0.0918","0.0982","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503562","10.071","0.001","11.93","0.0012","13.1405","0.0013","76.838","0.002","83.588","0.002","71.284","0.002","1454.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 N4 -","- C30 H36 N4 -","- C60 H72 N8 -","2","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1019","0.0673","","","0.168","0.184","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503563","8.627","0.008","21.841","0.008","9.936","0.005","90","","110.68","0.09","90","","1752","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O S -","- C17 H24 N2 O S -","- C68 H96 N8 O4 S4 -","4","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.2655","0.049","","","0.085","0.1175","","","","","","0.698","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503564","13.9875","0.0018","13.9875","0.0018","31.44","0.007","90","","90","","90","","6151.2","1.8","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C18 H22 N2 -","- C18 H22 N2 -","- C288 H352 N32 -","16","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.2735","0.0933","","","0.1229","0.1742","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503565","9.4161","0.0012","9.7498","0.0013","13.4677","0.0017","110.833","0.002","93.481","0.002","102.57","0.002","1114.9","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 N4 -","- C26 H28 N4 -","- C52 H56 N8 -","2","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1118","0.0791","","","0.1416","0.1537","","","","","","1.17","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503566","8.3574","0.0008","9.8705","0.0009","11.1365","0.0012","82.181","0.001","81.74","0.001","85.669","0.002","899.22","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C40 H40 F2 N2 O6 -","2","1","","Jiang, Bo; Li, Qiu-Yun; Zhang, Hao; Tu, Shu-Jiang; Pindi, Suresh; Li, Guigen","Efficient Domino Approaches to Multifunctionalized Fused Pyrroles and Dibenzo[b,e][1,4]diazepin-1-ones.","Organic letters","2012","14","3","700","703","10.1021/ol203166c","","","0.71073","MoKα","","0.1823","0.0746","","","0.1639","0.2286","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503567","9.0334","0.0006","7.3253","0.0005","23.9981","0.0015","90","","99.161","0.001","90","","1567.76","0.18","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O5 -","- C19 H14 N2 O5 -","- C76 H56 N8 O20 -","4","1","","Iqbal, Javed; Tangellamudi, Neelima D.; Dulla, Balakrishna; Balasubramanian, Sridhar","Sequential C-N and C-O bond formation in a single pot: synthesis of 2H-benzo[b][1,4]oxazines from 2,5-dihydroxybenzaldehyde and amino acid precursors.","Organic letters","2012","14","2","552","555","10.1021/ol2031747","","","0.71073","MoKα","","0.036","0.0335","","","0.0911","0.0937","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503568","7.886","0.001","21.928","0.003","8.292","0.001","90","","114.76","0.02","90","","1302.1","0.4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Guyonnet, Mathieu; Baudoin, Olivier","Synthesis of tricyclic nitrogen heterocycles by a sequence of palladium-catalyzed N-H and C(sp3)-H arylations.","Organic letters","2012","14","1","398","401","10.1021/ol2031763","","","0.7107","MoKα","","0.1042","0.0874","","0.1519","0.1408","0.1519","","","","","","0.9851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503569","8.6577","0.0009","12.786","0.001","33.474","0.004","90","","90","","90","","3705.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","2","","Guyonnet, Mathieu; Baudoin, Olivier","Synthesis of tricyclic nitrogen heterocycles by a sequence of palladium-catalyzed N-H and C(sp3)-H arylations.","Organic letters","2012","14","1","398","401","10.1021/ol2031763","","","1.5418","CuKα","","0.0442","0.0431","","0.1194","0.1179","0.1194","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503570","8.7624","0.0007","12.4446","0.0016","12.7515","0.001","101.367","0.009","109.546","0.008","102.862","0.009","1220.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N2 O5 S0 -","- C29 H28 N2 O5 -","- C58 H56 N4 O10 -","2","1","","Wei, Ying; Lin, Shaoxia; Xue, Hongxun; Liang, Fushun; Zhao, Baozhong","Halonium-Initiated C-O Bond Formation via Umpolung of α-Carbon to the Carbonyl: Efficient Access to 5-Amino-3(2H)-furanones.","Organic letters","2012","14","3","712","715","10.1021/ol203183k","","","0.71073","MoKα","","0.0958","0.0536","","","0.1255","0.1509","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503571","21.4899","0.0013","39.043","0.002","16.3001","0.001","90","","100.915","0.001","90","","13428.9","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 F21 N6 O0 P4 Pt -","- C35 H34 F21 N6 P4 Pt -","- C280 H272 F168 N48 P32 Pt8 -","8","2","","López-Vidal, Eva M; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M","Synthesis of platinum(II) metallocycles using microwave-assisted heating.","Organic letters","2012","14","2","580","583","10.1021/ol203191b","","","0.71073","MoKα","","0.0949","0.0722","","","0.1875","0.2015","","","","","","0.705","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503572","6.8563","0.0002","8.0054","0.0002","11.0535","0.0003","90","","102.385","0.001","90","","592.58","0.03","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C26 H24 O10 -","2","1","","Liu, Yu; Ma, Shengming","Benzofurans or Isochromenes via the Ring-Opening Cyclization of Cyclopropene Derivatives with Organolithiums.","Organic letters","2012","14","3","720","723","10.1021/ol2032009","","","0.71073","MoKα","","0.0304","0.0299","","","0.0825","0.0834","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503573","8.0662","0.0003","8.5553","0.0003","18.2403","0.0006","90","","90","","90","","1258.74","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Liu, Yu; Ma, Shengming","Benzofurans or Isochromenes via the Ring-Opening Cyclization of Cyclopropene Derivatives with Organolithiums.","Organic letters","2012","14","3","720","723","10.1021/ol2032009","","","0.71073","MoKα","","0.0342","0.031","","","0.0751","0.0775","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503574","17.309","0.005","16.096","0.005","8.0997","0.0016","90","","95.76","0.03","90","","2245.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H40 Cu2 F12 N8 P2 -","- C42 H40 Cu2 F12 N8 P2 -","- C84 H80 Cu4 F24 N16 P4 -","2","0.25","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.0911","0.053","","","0.1345","0.1619","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503575","8.8884","0.0018","12.195","0.002","14.334","0.003","109.96","0.03","105.4","0.03","97.38","0.03","1366.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Co F6 N6 O5 P -","- C24 H18 Co F6 N6 O5 P -","- C48 H36 Co2 F12 N12 O10 P2 -","2","1","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.1831","0.0856","","","0.1527","0.2116","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503576","10.164","0.002","15.148","0.003","31.248","0.006","90","","90","","90","","4811.1","1.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C42 H48 N12 Ni2 O16 -","- C42 H48 N12 Ni2 O16 -","- C168 H192 N48 Ni8 O64 -","4","0.5","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.0651","0.0454","","","0.1243","0.1454","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503577","7.9975","0.0016","19.899","0.004","13.827","0.003","90","","100.76","0.03","90","","2161.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Ag2 N10 O8 -","- C42 H44 Ag2 N10 O8 -","- C84 H88 Ag4 N20 O16 -","2","0.5","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.192","0.0709","","","0.1273","0.1661","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503578","10.8194","0.0009","8.4261","0.0007","20.2679","0.0017","90","","97.113","0.005","90","","1833.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N -","- C23 H25 N -","- C92 H100 N4 -","4","1","","Laouiti, Anouar; Rammah, Mohamed M.; Rammah, Mohamed B.; Marrot, Jérome; Couty, François; Evano, Gwilherm","Copper-catalyzed oxidative alkynylation of diaryl imines with terminal alkynes: a facile synthesis of ynimines.","Organic letters","2012","14","1","6","9","10.1021/ol2032152","","","0.71073","MoKα","","0.0989","0.0526","","","0.1429","0.1696","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503579","10.1859","0.0008","19.9122","0.0019","16.1404","0.0015","90","","94.415","0.004","90","","3263.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 F2 N2 -","- C43 H32 F2 N2 -","- C172 H128 F8 N8 -","4","1","","Laouiti, Anouar; Rammah, Mohamed M.; Rammah, Mohamed B.; Marrot, Jérome; Couty, François; Evano, Gwilherm","Copper-catalyzed oxidative alkynylation of diaryl imines with terminal alkynes: a facile synthesis of ynimines.","Organic letters","2012","14","1","6","9","10.1021/ol2032152","","","0.71073","MoKα","","0.1028","0.0494","","","0.0989","0.1187","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503580","7.601","0.003","12.967","0.005","13.991","0.005","90","","90","","90","","1379","0.9","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Seki, Tomoaki; Tanaka, Shinji; Kitamura, Masato","Enantioselective synthesis of pyrrolidine-, piperidine-, and azepane-type N-heterocycles with α-alkenyl substitution: the CpRu-catalyzed dehydrative intramolecular N-allylation approach.","Organic letters","2012","14","2","608","611","10.1021/ol203218d","","","0.7107","MoKα","","","0.0318","","","","0.099","","","","","","0.471","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503581","7.521","0.002","16.456","0.005","23.063","0.007","90","","90","","90","","2854.4","1.4","103","2","103","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 -","- C22 H14 -","- C176 H112 -","8","2","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1377","0.0974","","","0.2133","0.2403","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503582","9.587","0.004","6.368","0.002","27.417","0.011","90","","96.254","0.006","90","","1663.8","1.1","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1623","0.0909","","","0.214","0.2694","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503583","11.241","0.004","6.823","0.002","11.298","0.004","90","","117.314","0.004","90","","769.9","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Xu, Silong; Chen, Rongshun; Qin, Zifeng; Wu, Guiping; He, Zhengjie","Divergent amine-catalyzed [4 + 2] annulation of morita-baylis-hillman allylic acetates with electron-deficient alkenes.","Organic letters","2012","14","4","996","999","10.1021/ol2032569","","","0.71073","MoKα","","0.0387","0.0291","","","0.0559","0.0576","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503584","10.852","0.003","13.438","0.004","18.449","0.004","90","","104.594","0.009","90","","2603.6","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br N O -","- C15 H12 Br N O -","- C120 H96 Br8 N8 O8 -","8","2","","Li, Bin; Ma, Jianfeng; Wang, Nuancheng; Feng, Huiliang; Xu, Shansheng; Wang, Baiquan","Ruthenium-catalyzed oxidative C-h bond olefination of N-methoxybenzamides using an oxidizing directing group.","Organic letters","2012","14","3","736","739","10.1021/ol2032575","","","0.71073","MoKα","","0.0873","0.0548","","","0.1226","0.1376","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503585","10.299","0.003","8.974","0.003","12.702","0.004","90","","95.653","0.005","90","","1168.3","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Li, Bin; Ma, Jianfeng; Wang, Nuancheng; Feng, Huiliang; Xu, Shansheng; Wang, Baiquan","Ruthenium-catalyzed oxidative C-h bond olefination of N-methoxybenzamides using an oxidizing directing group.","Organic letters","2012","14","3","736","739","10.1021/ol2032575","","","0.71073","MoKα","","0.056","0.043","","","0.0999","0.1068","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503586","6.4053","0.0005","15.8952","0.0013","13.1993","0.0011","90","","101.104","0.007","90","","1318.71","0.19","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu","A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes.","Organic letters","2012","14","2","628","631","10.1021/ol2032625","","","1.5418","CuKα","","0.0694","0.0577","","","0.1804","0.2037","","","","","","1.501","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503587","7.0822","0.0007","12.7318","0.001","17.576","0.0014","90","","90","","90","","1584.8","0.2","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu","A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes.","Organic letters","2012","14","2","628","631","10.1021/ol2032625","","","1.5418","CuKα","","0.0996","0.0928","","","0.3066","0.3088","","","","","","2.264","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503588","19.5308","0.0011","10.1952","0.0006","24.8108","0.0014","90","","90","","90","","4940.3","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N2 O4 S -","- C27.96 H27.91 N2 O4 S -","- C223.68 H223.28 N16 O32 S8 -","8","1","","Wang, Liang; Guo, Wei; Zhang, Xiao-Xiao; Xia, Xu-Dong; Xiao, Wen-Jing","Synthesis of Indolo [1,2-a]Quinoxalines via a Pd-Catalyzed Regioselective C-H Olefination/Cyclization Sequence.","Organic letters","2012","14","3","740","743","10.1021/ol203275b","","","0.71073","MoKα","","0.0755","0.0633","","","0.1329","0.1376","","","","","","1.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503589","6.6099","0.0013","10.144","0.002","14.147","0.003","102.26","0.03","92.21","0.03","99.96","0.03","910.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Cl N2 O3 -","- C22 H15 Cl N2 O3 -","- C44 H30 Cl2 N4 O6 -","2","1","","Li, Yang; Zhang, Xi-Sha; Chen, Kang; He, Ke-Han; Pan, Fei; Li, Bi-Jie; Shi, Zhang-Jie","N-Directing group assisted rhodium-catalyzed aryl C-H addition to aryl aldehydes.","Organic letters","2012","14","2","636","639","10.1021/ol2032784","","","0.71073","MoKα","","0.0558","0.0507","","","0.1171","0.1246","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503590","16.142","0.003","8.118","0.004","20.461","0.006","90","","97.661","0.006","90","","2657.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C104 H120 Cl8 N16 O16 -","8","2","","Xiang, Dexuan; Xin, Xiaoqing; Liu, Xu; Zhang, Rui; Yang, Jiming; Dong, Dewen","Regioselective synthesis of 3-arylamino- and 5-arylaminoisoxazoles from enaminones.","Organic letters","2012","14","2","644","647","10.1021/ol203282h","","","0.71069","MoKα","","0.0954","0.0557","","","0.1171","0.1352","","","","","","1.014","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1503591","3.7429","0.0008","15.815","0.003","13.99","0.003","90","","93.947","0.014","90","","826.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Fan, Jian; Zhang, Lei; Briseno, Alejandro L.; Wudl, Fred","Synthesis and characterization of 7,8,15,16-tetraazaterrylene.","Organic letters","2012","14","4","1024","1026","10.1021/ol203285n","","","0.71073","MoKα","","0.0571","0.0443","","","0.1219","0.1313","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503592","10.9498","0.0002","10.9498","0.0002","77.5761","0.0019","90","","90","","120","","8055.1","0.3","240","2","240","2","","","","","","","","6","P 61","P 61","169","","","","- C23.5 H33 Cl I N O6 -","- C23.5 H33 Cl I N O6 -","- C282 H396 Cl12 I12 N12 O72 -","12","2","","Fairhurst, Nathan W. G.; Mahon, Mary F.; Munday, Rachel H.; Carbery, David R.","Remote stereocontrol in [3,3]-sigmatropic rearrangements: application to the total synthesis of the immunosuppressant mycestericin g.","Organic letters","2012","14","3","756","759","10.1021/ol203300k","","","1.54184","CuKα","","0.0533","0.0498","","","0.1255","0.1283","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503593","11.8866","0.0008","15.5331","0.001","7.554","0.0005","90","","104.626","0.001","90","","1349.54","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Xu, Xinfang; Shabashov, Dmitry; Zavalij, Peter Y.; Doyle, Michael P.","Unexpected Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides That Form 5-Arylaminofuran-2(3H)-one-4-carboxylates.","Organic letters","2012","14","3","800","803","10.1021/ol203331r","","","0.71073","MoKα","","0.0442","0.0407","","","0.08","0.0816","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503594","15.1773","0.0009","9.148","0.0006","16.963","0.001","90","","94.546","0.001","90","","2347.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Organic","Organic","","- C21 H33 N O5 Si -","- C21 H33 N O5 Si -","- C84 H132 N4 O20 Si4 -","4","1","","Xu, Xinfang; Shabashov, Dmitry; Zavalij, Peter Y.; Doyle, Michael P.","Unexpected Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides That Form 5-Arylaminofuran-2(3H)-one-4-carboxylates.","Organic letters","2012","14","3","800","803","10.1021/ol203331r","","","0.71073","MoKα","","0.0489","0.0381","","","0.0729","0.0762","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503595","8.6741","0.0004","12.0321","0.0005","19.0097","0.0008","96.795","0.002","102.509","0.002","99.276","0.002","1887.24","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","2 in manuscript","","","- C39 H49 N5 O Si2 -","- C39 H49 N5 O Si2 -","- C78 H98 N10 O2 Si4 -","2","1","","Engelhart, Jens U.; Lindner, Benjamin D.; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Large azaacenes: pyridine rings reacting like carbonyl groups.","Organic letters","2012","14","4","1008","1011","10.1021/ol203334u","","","0.71073","MoKα","","0.0861","0.0546","","","0.1348","0.1521","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503596","8.7703","0.0002","9.2477","0.0002","12.0469","0.0003","100.055","0.001","102.351","0.002","115.531","0.001","820.86","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Boyce, Gregory R.; Liu, Shubin; Johnson, Jeffrey S.","Construction of cyclopentanol derivatives via three-component coupling of silyl glyoxylates, acetylides, and nitroalkenes.","Organic letters","2012","14","2","652","655","10.1021/ol2033527","","","1.54178","CuKα","","0.0411","0.0381","","","0.1039","0.1073","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503597","9.6171","0.0002","12.0518","0.0003","12.9794","0.0003","69.417","0.002","87.631","0.001","73.582","0.002","1348.08","0.06","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C52 H82 N2 O10 Si2 -","2","1","","Boyce, Gregory R.; Liu, Shubin; Johnson, Jeffrey S.","Construction of cyclopentanol derivatives via three-component coupling of silyl glyoxylates, acetylides, and nitroalkenes.","Organic letters","2012","14","2","652","655","10.1021/ol2033527","","","1.54178","CUKα","","0.07","0.0592","","","0.1534","0.1644","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503598","16.5126","0.0011","6.9927","0.0005","20.1398","0.0013","90","","112.999","0.001","90","","2140.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Me_Oki_D_1115","","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","","Niu, Dawen; Hoye, Thomas R.","A concise total synthesis of (±)- and (-)-okilactomycin d.","Organic letters","2012","14","3","828","831","10.1021/ol203355g","","","0.71073","MoKα","","0.0749","0.0442","","","0.1065","0.1299","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503599","10.1195","0.0005","13.0223","0.0006","16.5396","0.0007","90","","103.812","0.001","90","","2116.55","0.17","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","","Niu, Dawen; Hoye, Thomas R.","A concise total synthesis of (±)- and (-)-okilactomycin d.","Organic letters","2012","14","3","828","831","10.1021/ol203355g","","","0.71073","MoKα","","0.0437","0.0386","","","0.1028","0.1078","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503600","7.9894","0.0002","11.0136","0.0002","14.6649","0.0003","90.994","0.001","105.668","0.001","103.389","0.001","1204.27","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H23 I N2 O8 -","- C23 H23 I N2 O8 -","- C46 H46 I2 N4 O16 -","2","2","","Shan, Mingde; Kishi, Yoshito","Concise and highly stereoselective synthesis of the C20-C26 building block of halichondrins and Eribulin","Organic Letters","2012","14","2","660","663","10.1021/ol203373d","","","0.71073","MoKα","","0.0489","0.036","","","0.0479","0.0505","","","","","","1.062","","","","has coordinates","218607","2020-10-21","18:00:00",""
"1503601","5.9241","0.0006","15.5212","0.0015","18.2461","0.0017","90","","90","","90","","1677.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O3 -","- C21 H17 Cl O3 -","- C84 H68 Cl4 O12 -","4","1","","Liu, Guansai; Wilkerson, Phillip D.; Toth, Christopher A.; Xu, Hao","Highly enantioselective cyclizations of conjugated trienes with low catalyst loadings: a robust chiral N-heterocyclic carbene enabled by acetic Acid cocatalyst.","Organic letters","2012","14","3","858","861","10.1021/ol203375y","","","0.71073","MoKα","","0.0277","0.0268","","","0.0719","0.0726","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503602","10.2548","0.0011","13.2868","0.0015","14.5076","0.0016","112.753","0.002","97.302","0.002","92.737","0.002","1797.9","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.75 H15 B0.5 Cl2 F N -","- C21.75 H15 B0.5 Cl2 F N -","- C87 H60 B2 Cl8 F4 N4 -","4","2","","Hayashi, Yosuke; Obata, Naoki; Tamaru, Masatomo; Yamaguchi, Shigeru; Matsuo, Yutaka; Saeki, Akinori; Seki, Shu; Kureishi, Yuka; Saito, Shohei; Yamaguchi, Shigehiro; Shinokubo, Hiroshi","Facile Synthesis of Biphenyl-Fused BODIPY and Its Property.","Organic letters","2012","14","3","866","869","10.1021/ol2033916","","","0.71073","MoKα","","0.0974","0.0895","","","0.2053","0.2109","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503603","16.0215","0.0015","11.2646","0.0011","7.0956","0.0007","90","","90","","90","","1280.6","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5,14-dihydro-1,4,5,14-tetraazapentacene","","- C18 H12 N4 -","- C18 H12 N4 -","- C72 H48 N16 -","4","0.5","","He, Zikai; Liu, Danqing; Mao, Renxin; Tang, Qin; Miao, Qian","Hydrogen-bonded dihydrotetraazapentacenes.","Organic letters","2012","14","4","1050","1053","10.1021/ol203404q","","","0.71073","MoKα","","0.0691","0.0444","","","0.1211","0.1424","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503604","7.5446","0.0005","7.8619","0.0006","16.904","0.0012","78.243","0.002","89.12","0.002","79.67","0.002","965.48","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,13-bis((triisopropylsilyl)ethynyl)-5,14-dihydro-1,4,5,14-tetraazapentacene","","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","1","0.5","","He, Zikai; Liu, Danqing; Mao, Renxin; Tang, Qin; Miao, Qian","Hydrogen-bonded dihydrotetraazapentacenes.","Organic letters","2012","14","4","1050","1053","10.1021/ol203404q","","","0.71073","MoKα","","0.0945","0.0705","","","0.1986","0.2208","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503605","9.815","0.001","11.972","0.001","24.772","0.003","90","","90","","90","","2910.8","0.5","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C112 H184 N8 O32 -","8","2","","André, Christophe; Legrand, Baptiste; Deng, Cheng; Didierjean, Claude; Pickaert, Guillaume; Martinez, Jean; Averlant-Petit, Marie Christine; Amblard, Muriel; Calmes, Monique","(S)-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer.","Organic letters","2012","14","4","960","963","10.1021/ol203406v","","x-ray","0.71073","MoKα","","0.0956","0.0502","","","0.0911","0.109","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503606","10.7803","0.0004","9.3194","0.0004","15.7897","0.0006","90","","107.214","0.003","90","","1515.27","0.11","110","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C32 H42 N4 O5 -","- C32 H42 N4 O5 -","- C64 H84 N8 O10 -","2","1","","André, Christophe; Legrand, Baptiste; Deng, Cheng; Didierjean, Claude; Pickaert, Guillaume; Martinez, Jean; Averlant-Petit, Marie Christine; Amblard, Muriel; Calmes, Monique","(S)-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer.","Organic letters","2012","14","4","960","963","10.1021/ol203406v","","x-ray","0.71073","MoKα","","0.0465","0.0422","","","0.0922","0.0954","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503607","10.1761","0.0003","16.4292","0.0003","16.8698","0.0005","90","","98.939","0.001","90","","2786.13","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Co O2 -","- C37 H31 Co O2 -","- C148 H124 Co4 O8 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71073","MoKα","","0.0702","0.0442","","","0.0928","0.1033","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503608","11.0108","0.0003","14.7106","0.0004","19.4035","0.0005","90","","90.016","0.001","90","","3142.89","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 Co O2 -","- C41 H39 Co O2 -","- C164 H156 Co4 O8 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71075","MoKα","","0.0371","0.0353","","","0.098","0.1009","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503609","15.6147","0.0003","15.2102","0.0004","19.6534","0.0005","90","","94.109","0.001","90","","4655.74","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H43 Co O6 -","- C63 H43 Co O6 -","- C252 H172 Co4 O24 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71075","MoKα","","0.0845","0.0593","","","0.119","0.1447","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503610","8.9698","0.0018","18.143","0.004","9.6888","0.0019","90","","91.91","0.03","90","","1575.9","0.6","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Zhou, Lei; Ye, Fei; Zhang, Yan; Wang, Jianbo","Cyclopropylmethyl palladium species from carbene migratory insertion: new routes to 1,3-butadienes.","Organic letters","2012","14","3","922","925","10.1021/ol2034405","","","0.71073","MoKα","","0.0794","0.0713","","","0.1777","0.1894","","","","","","1.291","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503611","12.7522","0.0009","7.1242","0.0005","13.8104","0.001","90","","110.072","0.001","90","","1178.46","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","1","","Paul, Bishwajit; Butterfoss, Glenn L.; Boswell, Mikki G.; Huang, Mia L.; Bonneau, Richard; Wolf, Christian; Kirshenbaum, Kent","N-naphthyl peptoid foldamers exhibiting atropisomerism.","Organic letters","2012","14","3","926","929","10.1021/ol203452f","","","0.71073","MoKα","","0.0465","0.0357","","","0.0786","0.084","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503612","11.2179","0.0013","9.3563","0.0011","23.908","0.003","90","","102.239","0.002","90","","2452.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H52 N6 O6.35 -","- C56 H52 N6 O6.352 -","- C112 H104 N12 O12.704 -","2","0.5","","Paul, Bishwajit; Butterfoss, Glenn L.; Boswell, Mikki G.; Huang, Mia L.; Bonneau, Richard; Wolf, Christian; Kirshenbaum, Kent","N-naphthyl peptoid foldamers exhibiting atropisomerism.","Organic letters","2012","14","3","926","929","10.1021/ol203452f","","","0.71073","MoKα","","0.1017","0.091","","","0.2358","0.2416","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503613","8.533","0.004","12.505","0.005","14.664","0.006","72.58","0.007","77.245","0.006","78.328","0.006","1440.4","1.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Br N O4 Si -","- C29 H42 Br N O4 Si -","- C58 H84 Br2 N2 O8 Si2 -","2","1","","Feldman, Ken S.; Antoline, Joshua F.","Allenyl azide cycloaddition chemistry: application to the total synthesis of (±)-meloscine.","Organic letters","2012","14","3","934","937","10.1021/ol203463n","","","0.71073","MoKα","","0.1186","0.0809","","","0.2359","0.2617","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503614","11.567","0.003","6.2104","0.0014","15.2","0.003","90","","105.426","0.003","90","","1052.6","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C32 H50 Cl6 N4 O10 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0613","0.0482","","","0.117","0.1253","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503615","9.3943","0.0008","9.5053","0.0008","10.3313","0.0009","84.826","0.001","72.368","0.001","65.433","0.001","798.93","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C28 H50 N2 O8 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0512","0.045","","","0.1234","0.1286","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503616","11.1228","0.0007","18.7458","0.0011","20.9423","0.0013","90","","90","","90","","4366.6","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C128 H200 Cl24 N16 O40 -","8","2","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0448","0.0391","","","0.1002","0.1049","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503617","9.8718","0.0007","10.072","0.0008","16.2663","0.0012","90","","90","","90","","1617.3","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0553","0.0545","","","0.1793","0.1799","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503618","11.21","0.006","18.823","0.009","20.925","0.01","90","","90","","90","","4415","4","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C128 H200 Cl24 N16 O40 -","8","2","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.113","0.0748","","","0.1418","0.1576","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503619","11.454","0.009","6.186","0.005","15.081","0.012","90","","105.582","0.012","90","","1029.3","1.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C32 H50 Cl6 N4 O10 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0778","0.071","","","0.1791","0.1875","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503620","6.03188","0.00017","12.4097","0.0004","25.1549","0.0006","90","","90","","90","","1882.94","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Kemppainen, Eeva K.; Sahoo, Gokarneswar; Valkonen, Arto; Pihko, Petri M.","Mukaiyama-Michael reactions with acrolein and methacrolein: a catalytic enantioselective synthesis of the c17-c28 fragment of pectenotoxins.","Organic letters","2012","14","4","1086","1089","10.1021/ol203486p","","","1.54184","CuKα","","0.0444","0.0373","","","0.0883","0.0914","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503621","28.568","0.007","6.3111","0.0016","7.901","0.003","90","","96.49","0.04","90","","1415.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Joshi, Megha; Tiwari, Rakesh; Verma, Akhilesh Kumar","Regioselective Preferential Nucleophilic Addition of N-Heterocycles onto Haloarylalkynes over N-Arylation of Aryl Halides.","Organic letters","2012","14","4","1106","1109","10.1021/ol203491p","","","0.71073","MoKα","","0.1571","0.1248","","","0.3341","0.3858","","","","","","1.28","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503622","10.964","0.004","10.964","0.004","13.249","0.005","90","","90","","90","","1592.7","1","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H13 Cl O2 S -","- C17 H15 Cl O2 S -","- C68 H60 Cl4 O8 S4 -","4","1","","Ling, Jun-Bing; Su, Yu; Zhu, Hai-Liang; Wang, Guan-Yu; Xu, Peng-Fei","Hydrogen-bond-mediated cascade reaction involving chalcones: facile synthesis of enantioenriched trisubstituted tetrahydrothiophenes.","Organic letters","2012","14","4","1090","1093","10.1021/ol2034959","","","0.71073","MoKα","","0.0442","0.0416","","","0.1217","0.1262","","","","","","0.87","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503623","13.7792","0.0017","39.505","0.005","6.2897","0.0008","90","","90","","90","","3423.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","pallambin A","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","2","","Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang","Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.","Organic letters","2012","14","4","1102","1105","10.1021/ol3000124","","","0.71069","MoKα","","0.1445","0.0728","","","0.1814","0.2212","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503624","8.1441","0.0006","28.387","0.002","7.2652","0.0006","90","","90","","90","","1679.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","pallambin D","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang","Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.","Organic letters","2012","14","4","1102","1105","10.1021/ol3000124","","","0.71069","MoKα","","0.089","0.0461","","","0.0975","0.1171","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503625","13.058","0.0005","13.0653","0.0005","14.077","0.0006","97.904","0.004","105.81","0.004","112.461","0.004","2055.14","0.18","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O3 -","- C19 H23.001 N3 O3 -","- C76 H92.004 N12 O12 -","4","2","","Doveston, Richard G.; Steendam, René; Jones, Stuart; Taylor, Richard J. K.","Total synthesis of an oxepine natural product, (±)-janoxepin.","Organic letters","2012","14","4","1122","1125","10.1021/ol300039x","","","0.7107","MoKα","","0.0934","0.0686","","","0.1927","0.2104","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503626","9.28387","0.00017","10.7517","0.00019","11.9589","0.0008","90","","94.002","0.007","90","","1190.8","0.09","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 F3 N O3 -","- C10 H16 F3 N O3 -","- C40 H64 F12 N4 O12 -","4","2","","Romney, David K.; Miller, Scott J.","A Peptide-embedded trifluoromethyl ketone catalyst for enantioselective epoxidation.","Organic letters","2012","14","4","1138","1141","10.1021/ol3000712","","","1.54187","CuKα","","","0.0228","","","","0.0539","","","","","","1.034","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503627","17.325","0.01","4.393","0.003","20.866","0.012","90","","92.132","0.008","90","","1587","1.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Br2 O4 -","- C16 H10 Br2 O4 -","- C64 H40 Br8 O16 -","4","1","","Wei, Wei; Wang, Yao; Yin, Jianpeng; Xue, Jijun; Li, Ying","Construction of Aromatic [5,5] Spiroketals via Hypoiodite-Catalyzed Etherification Combined in Relay Cascades.","Organic letters","2012","14","4","1158","1161","10.1021/ol300107v","","","0.71073","MoKα","","0.0953","0.0468","","","0.1052","0.1231","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503628","19.247","0.008","4.881","0.002","16.331","0.007","90","","112.154","0.004","90","","1420.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br O4 -","- C16 H11 Br O4 -","- C64 H44 Br4 O16 -","4","1","","Wei, Wei; Wang, Yao; Yin, Jianpeng; Xue, Jijun; Li, Ying","Construction of Aromatic [5,5] Spiroketals via Hypoiodite-Catalyzed Etherification Combined in Relay Cascades.","Organic letters","2012","14","4","1158","1161","10.1021/ol300107v","","","0.71073","MoKα","","0.1687","0.0554","","","0.0916","0.1212","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503629","15.278","0.002","15.133","0.002","15.916","0.002","90","","90","","90","","3679.8","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H22 N2 O5 -","- C20 H21 N2 O5 -","- C160 H168 N16 O40 -","8","1","","Chen, Fei; Feng, Zhang; He, Chun-Yang; Wang, Hao-Yang; Guo, Yin-Long; Zhang, Xingang","Pd-catalyzed dehydrogenative cross-coupling of polyfluoroarenes with heteroatom-substituted enones.","Organic letters","2012","14","4","1176","1179","10.1021/ol300240k","","","0.71073","MoKα","","0.1344","0.0737","","","0.2164","0.2654","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503630","11.299","0.003","11.299","0.003","30.405","0.008","90","","90","","120","","3361.7","1.5","293","2","293","2","","","","","","","synthesis as described","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C35 H46 Br2 N2 O15 -","- C41 H46 Br2 N2 O15 -","- C123 H138 Br6 N6 O45 -","3","0.5","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0977","0.0503","","","0.1167","0.131","","","","","","0.856","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503631","5.7819","0.0011","9.6587","0.0018","13.317","0.003","79.109","0.003","82.475","0.003","86.782","0.003","723.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","1","1","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0394","0.0387","","","0.1023","0.1033","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505005","15.4764","0.0013","16.426","0.002","30.614","0.002","90","","90","","90","","7782.5","1.3","200","","200","","","","","","","","acetonitrile,water","5","P 21 21 21","P 2ac 2ab","19","","imido-di(3,3'-di(2,4,6-triethylphenyl)-1,1'-binaphthyl-2,2'-dioxy-phosphate) mono-hydrate acetonitrile solute","","- C90 H91 N2 O7 P2 -","- C90 H91 N2 O7 P2 -","- C360 H364 N8 O28 P8 -","4","1","","Čorić, Ilija; List, Benjamin","Asymmetric spiroacetalization catalysed by confined Brønsted acids.","Nature","2012","483","7389","315","319","10.1038/nature10932","","","0.71073","MoKα","","0.1271","0.0718","","","0.1431","0.165","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507133","8.55","0.0017","11.73","0.002","9.75","0.0019","90","","115.12","0.03","90","","885.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B2 Co F4 N6 O4 -","- C12 H18 B2 Co F4 N6 O4 -","- C24 H36 B4 Co2 F8 N12 O8 -","2","0.5","","Niklas, Jens; Mardis, Kristy L.; Rakhimov, Rakhim R.; Mulfort, Karen L.; Tiede, David M.; Poluektov, Oleg G.","The Hydrogen Catalyst Cobaloxime: A Multifrequency EPR and DFT Study of Cobaloxime's Electronic Structure.","The journal of physical chemistry. B","2012","116","9","2943","2957","10.1021/jp209395n","","","0.71073","MoKα","","0.0317","0.0226","","","0.0516","0.0565","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507134","7.6291","0.0008","7.6291","0.0008","10.977","0.002","90","","90","","120","","553.3","0.13","100","","100","","","","","","","","","4","R 3 :H","R 3","146","","","","- B3 H12 K Zn -","- B3 H12 K Zn -","- B9 H36 K3 Zn3 -","3","0.333333","","Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R.","Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions","The Journal of Physical Chemistry C","2012","116","1","1563","","10.1021/jp209848r","powder diffraction","","0.72846","synchrotron","","","","","","","","","","","","","","","","","has coordinates","191890","2020-10-21","18:00:00",""
"1507135","12.3628","0.0038","9.1099","0.0025","7.3394","0.0024","90","","95.737","0.024","90","","822.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B1.89 Cl2.11 H16 K2 Zn -","- B1.876 Cl2.124 H16 K2 Zn -","- B7.504 Cl8.496 H64 K8 Zn4 -","4","1","","Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R.","Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions","The Journal of Physical Chemistry C","2012","116","1","1563","","10.1021/jp209848r","powder diffraction","","0.72846","synchrotron","","","","","","","","","1.76","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507136","22.261","0.009","7.709","0.003","20.227","0.008","90","","116.454","0.004","90","","3108","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Coumarin 487","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C152 H184 N8 O16 -","8","2","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; Radia, Jignesh; Zeidler, Anita","Molecular origins of optoelectronic properties in coumarin dyes: toward designer solar cell and laser applications.","The journal of physical chemistry. A","2012","116","1","727","737","10.1021/jp209925y","","","0.71073","MoKα","","0.0758","0.0517","","","0.1184","0.136","","","","","","0.918","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507137","11.466","0.002","15.725","0.003","18.776","0.006","90","","119.73","0.02","90","","2939.8","1.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Coumarin 498","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C128 H136 N8 O32 S8 -","8","2","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; Radia, Jignesh; Zeidler, Anita","Molecular origins of optoelectronic properties in coumarin dyes: toward designer solar cell and laser applications.","The journal of physical chemistry. A","2012","116","1","727","737","10.1021/jp209925y","","","0.71073","MoKα","","0.0915","0.0515","","","0.1065","0.124","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507138","11.4302","0.0008","13.0417","0.0009","10.2164","0.0007","90","","92.823","0.003","90","","1521.1","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Coumarin 510","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; Radia, Jignesh; Zeidler, Anita","Molecular origins of optoelectronic properties in coumarin dyes: toward designer solar cell and laser applications.","The journal of physical chemistry. A","2012","116","1","727","737","10.1021/jp209925y","","","0.71073","MoKα","","0.088","0.0547","","","0.1378","0.154","","","","","","0.909","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507139","13.1252","0.0004","7.3464","0.0002","17.3911","0.0007","90","","97.2558","0.0012","90","","1663.47","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Coumarin 525","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; Radia, Jignesh; Zeidler, Anita","Molecular origins of optoelectronic properties in coumarin dyes: toward designer solar cell and laser applications.","The journal of physical chemistry. A","2012","116","1","727","737","10.1021/jp209925y","","","0.71073","MoKα","","0.0794","0.0525","","","0.1191","0.1363","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507140","7.9847","0.0003","14.6576","0.0006","14.3889","0.0006","90","","100.521","0.002","90","","1655.72","0.12","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Farrugia, Louis J.; Senn, Hans Martin","On the unusual weak intramolecular C...C interactions in Ru3(CO)12: a case of bond path artifacts introduced by the multipole model?","The journal of physical chemistry. A","2012","116","1","738","746","10.1021/jp2100039","","x-ray","0.71073","MoKα","","0.017","0.014","","","","0.014","","","","","","1.458","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507141","9.2972","0.0004","19.6705","0.0009","9.3164","0.0004","90","","108.688","0.001","90","","1613.96","0.12","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 S -","- C16 H22 N2 O3 S -","- C64 H88 N8 O12 S4 -","4","1","","Mandai, Toshihiko; Masu, Hyuma; Imanari, Mamoru; Nishikawa, Keiko","Comparison between cycloalkyl- and n-alkyl-substituted imidazolium-based ionic liquids in physicochemical properties and reorientational dynamics.","The journal of physical chemistry. B","2012","116","7","2059","2064","10.1021/jp210273q","","","0.71073","MoKα","","0.0465","0.0371","","","0.0947","0.1005","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507142","20.253","0.005","9.527","0.002","9.677","0.002","90","","98.871","0.003","90","","1844.8","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N2 O3 S -","- C17 H26 N2 O3 S -","- C68 H104 N8 O12 S4 -","4","1","","Mandai, Toshihiko; Masu, Hyuma; Imanari, Mamoru; Nishikawa, Keiko","Comparison between cycloalkyl- and n-alkyl-substituted imidazolium-based ionic liquids in physicochemical properties and reorientational dynamics.","The journal of physical chemistry. B","2012","116","7","2059","2064","10.1021/jp210273q","","","0.71073","MoKα","","0.0575","0.0413","","","0.1025","0.1113","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507143","12.3607","0.0006","19.4377","0.0006","14.5501","0.0006","90","","114.803","0.005","90","","3173.4","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Cl3 N3 O5 -","- C35 H26 Cl3 N3 O5 -","- C140 H104 Cl12 N12 O20 -","4","1","","Li, Kuan-Ting; Lin, Yong-Bo; Yang, Ding-Yah","One-Pot Synthesis of Pyranocoumarins via Microwave-Assisted Pseudo Multicomponent Reactions and Their Molecular Switching Properties.","Organic letters","2012","14","5","1190","1193","10.1021/ol203229z","","x-ray","0.71073","MoKα","","0.1362","0.0568","","","0.1429","0.1569","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507144","14.0644","0.0012","15.0979","0.0012","15.2279","0.0012","108.301","0.002","91.149","0.002","114.384","0.002","2753.9","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H19 N O7 -","- C32 H19 N O7 -","- C128 H76 N4 O28 -","4","2","","Li, Kuan-Ting; Lin, Yong-Bo; Yang, Ding-Yah","One-Pot Synthesis of Pyranocoumarins via Microwave-Assisted Pseudo Multicomponent Reactions and Their Molecular Switching Properties.","Organic letters","2012","14","5","1190","1193","10.1021/ol203229z","","x-ray","0.71073","MoKα","","0.1234","0.0546","","","0.1301","0.145","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507145","17.5336","0.0006","14.7302","0.0004","22.0893","0.0005","90","","91.754","0.003","90","","5702.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H41 Cl9 N18 O5 Zn6 -","- C38 H41 Cl9 N18 O5 Zn6 -","- C152 H164 Cl36 N72 O20 Zn24 -","4","0.5","","Zhou, Ying; Li, Zhan-Xian; Zang, Shuang-Quan; Zhu, Yan-Yan; Zhang, Hong-Yan; Hou, Hong-Wei; Mak, Thomas C. W.","A Novel Sensitive Turn-on Fluorescent Zn(2+) Chemosensor Based on an Easy To Prepare C(3)-Symmetric Schiff-Base Derivative in 100% Aqueous Solution.","Organic letters","2012","14","5","1214","1217","10.1021/ol2034417","","","0.71073","MoKα","","0.1233","0.1154","","","0.263","0.2658","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507146","9.947","0.0011","20.244","0.002","7.9602","0.0009","90","","90","","90","","1602.9","0.3","188","2","188","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Yuan, Feng-Quan; Han, Fu-She","Synthesis of Densely Substituted α,β,γ,δ-Dienones via the Pd(II)-Catalyzed Allylation, H-Migration, and Aerobic Oxidative δ-Hydride Elimination Cascade.","Organic letters","2012","14","5","1218","1221","10.1021/ol203444g","","","0.71073","MoKα","","0.0543","0.0409","","","0.0907","0.0984","","","","","","0.972","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507147","11.1927","0.0015","11.6453","0.0016","13.0994","0.0018","89.867","0.002","75.2","0.002","89.933","0.002","1650.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","2","","Yuan, Feng-Quan; Han, Fu-She","Synthesis of Densely Substituted α,β,γ,δ-Dienones via the Pd(II)-Catalyzed Allylation, H-Migration, and Aerobic Oxidative δ-Hydride Elimination Cascade.","Organic letters","2012","14","5","1218","1221","10.1021/ol203444g","","","0.71073","MoKα","","0.1165","0.0662","","","0.1514","0.1818","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507148","15.3524","0.0007","8.8779","0.0005","16.3754","0.0008","90","","96.2616","0.0014","90","","2218.6","0.19","150.1","","150.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N O3 S -","- C25 H24 N O3 S -","- C100 H96 N4 O12 S4 -","4","1","","Namba, Kosuke; Kanaki, Michika; Suto, Hiroki; Nishizawa, Mugio; Tanino, Keiji","Hg(OTf)(2)-Catalyzed Vinylogous Semi-Pinacol Rearrangement Leading to 1,4-Dihydroquinolines.","Organic letters","2012","14","5","1222","1225","10.1021/ol2034492","","","0.71075","MoKα","","","0.0557","","","","0.1361","","","","","","0.938","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507149","9.626","0.0003","10.836","0.0004","17.7861","0.0006","90","","90","","90","","1855.22","0.11","100","2","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O6 -","- C15 H27 N O6 -","- C60 H108 N4 O24 -","4","1","","Wong, Margaret L.; Guzei, Ilia A.; Kiessling, Laura L.","An Asymmetric Synthesis of l-Pyrrolysine.","Organic letters","2012","14","6","1378","1381","10.1021/ol300045c","","","1.54178","Cu-Kα","","0.0274","0.0273","","","0.0729","0.073","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507150","5.9069","0.0005","7.8185","0.0009","30.936","0.003","90","","90","","90","","1428.7","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-4-((4S,5R)-5-(4-bromophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl)oxazolidin-2-one","","- C14 H16 Br N O4 -","- C14 H16 Br N O4 -","- C56 H64 Br4 N4 O16 -","4","1","","Jiang, Chao; Covell, Dustin J.; Stepan, Antonia F.; Plummer, Mark S.; White, M. Christina","Sequential Allylic C-H Amination/Vinylic C-H Arylation: A Strategy for Unnatural Amino Acid Synthesis from α-Olefins.","Organic letters","2012","14","6","1386","1389","10.1021/ol300063t","","","0.71073","MoKα","","0.0774","0.0464","","","0.0915","0.1018","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507151","15.866","0.004","19.443","0.004","8.0117","0.0018","90","","113.694","0.003","90","","2263.1","0.9","273","2","273","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 -","- C36 H22 -","- C144 H88 -","4","0.5","","Gu, Xingxian; Luhman, Wade A.; Yagodkin, Elisey; Holmes, Russell J.; Douglas, Christopher J.","Diarylindenotetracenes via a Selective Cross-Coupling/C-H Functionalization: Electron Donors for Organic Photovoltaic Cells.","Organic letters","2012","14","6","1390","1393","10.1021/ol300098p","","","0.71073","MoKα","","0.068","0.0496","","","0.1225","0.1335","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507152","20.2712","0.0005","6.8588","0.0002","21.9489","0.0006","90","","109.756","0.001","90","","2872.07","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H39 O11.5 -","- C29 H36 O11.5 -","- C116 H144 O46 -","4","2","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0608","0.0589","","","0.1636","0.1671","","","","","","1.044","","","","has coordinates","218683","2020-10-21","18:00:00",""
"1507153","10.4064","0.0001","6.9552","0.0001","18.3789","0.0002","90","","102.053","0.001","90","","1300.91","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O8 -","- C27 H34 O8 -","- C54 H68 O16 -","2","1","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0554","0.0551","","","0.1617","0.1625","","","","","","1.057","","","","has coordinates","218683","2020-10-21","18:00:00",""
"1507154","10.243","0.0004","10.5955","0.0005","23.2804","0.0009","90","","90","","90","","2526.61","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 O9 -","- C27 H36 O9 -","- C108 H144 O36 -","4","1","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0341","0.0341","","","0.0872","0.0872","","","","","","1.103","","","","has coordinates","218683","2020-10-21","18:00:00",""
"1507155","5.2405","0.0005","8.5569","0.0007","27.083","0.002","90","","90","","90","","1214.47","0.18","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Abdelkafi, Hajer; Herson, Patrick; Nay, Bastien","Asymmetric synthesis of the oxygenated polycyclic system of (+)-harringtonolide.","Organic letters","2012","14","5","1270","1273","10.1021/ol300133x","","","0.71073","MoKα","","0.0428","0.0395","","0.1089","0.1069","0.1089","","","","","","1.0788","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507156","6.2522","0.0005","7.9375","0.0006","18.4228","0.0016","90","","90","","90","","914.27","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Abdelkafi, Hajer; Herson, Patrick; Nay, Bastien","Asymmetric synthesis of the oxygenated polycyclic system of (+)-harringtonolide.","Organic letters","2012","14","5","1270","1273","10.1021/ol300133x","","","0.71073","MoKα","","0.0551","0.0524","","0.1316","0.129","0.1314","","","","","","0.9096","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507157","9.627","0.0019","10.047","0.002","13.365","0.003","87.97","0.03","87.03","0.03","85.14","0.03","1285.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O3 -","- C33 H25 N O3 -","- C66 H50 N2 O6 -","2","1","","Du, Ding; Hu, Zhongyuan; Jin, Jianlin; Lu, Yingyan; Tang, Weifang; Wang, Bo; Lu, Tao","N-heterocyclic carbene-catalyzed three-component domino reaction of alkynyl aldehydes with oxindoles.","Organic letters","2012","14","5","1274","1277","10.1021/ol300148f","","","0.71073","MoKα","","0.1167","0.0605","","","0.1364","0.1684","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507158","14.679","0.002","8.9013","0.0013","15.868","0.002","90","","110.299","0.002","90","","1944.6","0.5","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Mori, Keiji; Kawasaki, Taro; Akiyama, Takahiko","Concise Route to 3-Arylisoquinoline Skeleton by Lewis Acid Catalyzed C(sp(3))-H Bond Functionalization and Its Application to Formal Synthesis of (±)-Tetrahydropalmatine.","Organic letters","2012","14","6","1436","1439","10.1021/ol300180w","","","0.71073","MoKα","","0.0809","0.0468","","","0.0964","0.1096","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507159","9.6511","0.0008","21.4131","0.0018","11.873","0.001","90","","107.002","0.001","90","","2346.4","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O6 S -","- C26 H29 N O6 S -","- C104 H116 N4 O24 S4 -","4","1","","Mori, Keiji; Kawasaki, Taro; Akiyama, Takahiko","Concise Route to 3-Arylisoquinoline Skeleton by Lewis Acid Catalyzed C(sp(3))-H Bond Functionalization and Its Application to Formal Synthesis of (±)-Tetrahydropalmatine.","Organic letters","2012","14","6","1436","1439","10.1021/ol300180w","","","0.71073","MoKα","","0.0446","0.0388","","","0.1017","0.1059","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507160","5.5479","0.0012","8.1165","0.0003","25.0347","0.0008","90","","90","","90","","1127.3","0.2","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Fujita, Morifumi; Mori, Kazuhiro; Shimogaki, Mio; Sugimura, Takashi","Asymmetric Synthesis of 4,8-Dihydroxyisochroman-1-one Polyketide Metabolites Using Chiral Hypervalent Iodine(III).","Organic letters","2012","14","5","1294","1297","10.1021/ol300185u","","","0.71069","MoKα","","","0.0691","","","","0.066","","","","","","1.35","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507161","4.4554","0.0016","11.569","0.004","20.465","0.007","90","","90","","90","","1054.9","0.6","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 Br O3 -","- C11 H9 Br O3 -","- C44 H36 Br4 O12 -","4","1","","Fujita, Morifumi; Mori, Kazuhiro; Shimogaki, Mio; Sugimura, Takashi","Asymmetric Synthesis of 4,8-Dihydroxyisochroman-1-one Polyketide Metabolites Using Chiral Hypervalent Iodine(III).","Organic letters","2012","14","5","1294","1297","10.1021/ol300185u","","","0.71075","MoKα","","","0.0474","","","","0.1467","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507162","7.087","0.0004","13.3538","0.0015","30.334","0.002","90","","90","","90","","2870.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29.5 Cl2 N O5.25 -","- C33 H29.5 Cl2 N O5.25 -","- C132 H118 Cl8 N4 O21 -","4","1","","Liu, Yankai; Nappi, Manuel; Escudero-Adán, Eduardo C; Melchiorre, Paolo","Multicatalytic Asymmetric Synthesis of Complex Tetrahydrocarbazoles via a Diels-Alder/Benzoin Reaction Sequence.","Organic letters","2012","14","5","1310","1313","10.1021/ol300192p","","","0.71073","MoKα","","0.0372","0.0331","","","0.0871","0.0919","","","","","","1.122","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507163","13.0955","0.0003","18.5015","0.0006","28.2301","0.0011","90","","90","","90","","6839.8","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H22 B F15 Si2 -","- C34 H22 B F15 Si2 -","- C272 H176 B8 F120 Si16 -","8","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0757","0.0453","","","0.0991","0.1171","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507164","12.8769","0.0003","18.9861","0.0004","29.5893","0.0009","90","","90","","90","","7234.1","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H26 B F15 Si2 -","- C36 H26 B F15 Si2 -","- C288 H208 B8 F120 Si16 -","8","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0607","0.0464","","","0.1118","0.1218","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507165","9.3849","0.0003","11.4951","0.0005","31.3337","0.0008","90","","90","","90","","3380.3","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H18 B F15 Si -","- C37 H18 B F15 Si -","- C148 H72 B4 F60 Si4 -","4","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0925","0.0879","","","0.2453","0.2533","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507166","5.2757","0.0001","9.3605","0.0002","31.0792","0.0006","90","","90","","90","","1534.79","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O7 S -","- C12 H16 N2 O7 S -","- C48 H64 N8 O28 S4 -","4","1","","Turcotte, Stéphane; Bouayad-Gervais, Samir H; Lubell, William D.","N-Aminosulfamide Peptide Mimic Synthesis by Alkylation of Aza-sulfurylglycinyl Peptides.","Organic letters","2012","14","5","1318","1321","10.1021/ol3001987","","","1.54178","CuKα","","0.0292","0.029","","","0.0805","0.0807","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507167","27.1653","0.0001","27.1653","0.0001","37.9051","0.0004","90","","90","","90","","27972.2","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C144 H247 O126 Rb5 -","- C144 H240 O126 Rb5 -","- C576 H960 O504 Rb20 -","4","0.5","","Gassensmith, Jeremiah J.; Smaldone, Ronald A.; Forgan, Ross S.; Wilmer, Christopher E.; Cordes, David B.; Botros, Youssry Y.; Slawin, Alexandra M. Z.; Snurr, Randall Q.; Stoddart, J. Fraser","Polyporous Metal-Coordination Frameworks.","Organic letters","2012","14","6","1460","1463","10.1021/ol300199a","","","0.71073","MoKα","","0.1083","0.0902","","","0.2447","0.2554","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507168","10.558","0.003","10.651","0.003","14.434","0.004","74.058","0.011","80.601","0.013","75.891","0.011","1505.5","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N7 S -","- C31 H27 N7 S -","- C62 H54 N14 S2 -","2","1","","Wang, Zu-Li; Zhao, Liang; Wang, Mei-Xiang","Construction of C(aryl)-C(alkynyl) Bond from Copper-Mediated Arene-Alkyne and Aryl Iodide-Alkyne Cross-Coupling Reactions: A Common Aryl-Cu(III) Intermediate in Arene C-H Activation and Castro-Stephens Reaction.","Organic letters","2012","14","6","1472","1475","10.1021/ol300205r","","","0.71073","MoKα","","0.1047","0.0892","","","0.2434","0.257","","","","","","1.134","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507169","10.2829","0.0017","10.39","0.002","14.484","0.002","79.649","0.01","71.64","0.01","76.483","0.009","1418.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N7 Si -","- C30 H33 N7 Si -","- C60 H66 N14 Si2 -","2","1","","Wang, Zu-Li; Zhao, Liang; Wang, Mei-Xiang","Construction of C(aryl)-C(alkynyl) Bond from Copper-Mediated Arene-Alkyne and Aryl Iodide-Alkyne Cross-Coupling Reactions: A Common Aryl-Cu(III) Intermediate in Arene C-H Activation and Castro-Stephens Reaction.","Organic letters","2012","14","6","1472","1475","10.1021/ol300205r","","","0.71073","MoKα","","0.0836","0.0714","","","0.1512","0.1592","","","","","","1.108","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507170","7.372","0.0007","13.1046","0.0014","13.6194","0.0014","87.929","0.002","84.678","0.002","75.454","0.002","1268","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 O3 S -","- C32 H26 O3 S -","- C64 H52 O6 S2 -","2","1","","Wang, Qiaoyi; Aparaj, Siddhita; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Ambient schmittel cyclization promoted by chemoselective triazole-gold catalyst.","Organic letters","2012","14","5","1334","1337","10.1021/ol300227a","","","0.71073","MoKα","","0.0947","0.0611","","","0.1705","0.1922","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507171","8.3435","0.0002","13.8536","0.0003","23.2107","0.0007","90","","90","","90","","2682.87","0.12","213","","213","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 O S -","- C16 H18 O S -","- C128 H144 O8 S8 -","8","1","","Arai, Noriyoshi; Tanaka, Koichiro; Ohkuma, Takeshi","Novel Intramolecular Photocyclization of α-Arylthiophene Derivatives.","Organic letters","2012","14","6","1488","1491","10.1021/ol3002305","","","0.71075","MoKα","","","0.0394","","","","0.1242","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507172","8.321","0.0005","9.3857","0.0006","13.8217","0.0007","79.838","0.004","83.351","0.004","74.729","0.004","1022.27","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17 N O2 -","- C30 H17 N O2 -","- C60 H34 N2 O4 -","2","1","","Kelgtermans, Hans; Dobrzańska, Liliana; Meervelt, Luc Van; Dehaen, Wim","Synthesis of Functionalized Dioxa-aza[7]helicenes Using Palladium Catalyzed Arylations.","Organic letters","2012","14","6","1500","1503","10.1021/ol300236t","","","1.54178","CuKα","","0.0636","0.046","","","0.1064","0.114","","","","","","0.895","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507173","9.7443","0.0002","10.1539","0.0003","12.1132","0.0004","77.7851","0.0049","69.8663","0.0039","85.1833","0.0056","1099.72","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 B2 F4 N2 O2 -","- C18 H22 B2 F4 N2 O2 -","- C36 H44 B4 F8 N4 O4 -","2","1","","Guliyev, Ruslan; Ozturk, Seyma; Sahin, Ertan; Akkaya, Engin U.","Expanded bodipy dyes: anion sensing using a bodipy analog with an additional difluoroboron bridge.","Organic letters","2012","14","6","1528","1531","10.1021/ol300260q","","","0.71073","MoKα","","0.2002","0.089","","","0.3719","0.245","","","","","","1.286","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507174","13.5604","0.0005","13.5604","0.0005","9.2104","0.0005","90","","90","","120","","1466.74","0.11","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- C42 H24 O12 -","- C42 H24 O12 -","- C42 H24 O12 -","1","0.0833333","","Ma, Yingjie; Chi, Xiaodong; Yan, Xuzhou; Liu, Jiyong; Yao, Yong; Chen, Weixiang; Huang, Feihe; Hou, Jun-Li","per-Hydroxylated Pillar[6]arene: Synthesis, X-ray Crystal Structure, and Host-Guest Complexation.","Organic letters","2012","14","6","1532","1535","10.1021/ol300263z","","","0.71073","MoKα","","0.1161","0.1084","","","0.3783","0.3902","","","","","","1.806","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507175","10.5343","0.0006","11.7677","0.0008","13.5796","0.0006","114.819","0.005","91.582","0.004","108.48","0.005","1423.66","0.17","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 N2 O14 -","- C60 H62 N2 O14 -","- C60 H62 N2 O14 -","1","0.5","","Ma, Yingjie; Chi, Xiaodong; Yan, Xuzhou; Liu, Jiyong; Yao, Yong; Chen, Weixiang; Huang, Feihe; Hou, Jun-Li","per-Hydroxylated Pillar[6]arene: Synthesis, X-ray Crystal Structure, and Host-Guest Complexation.","Organic letters","2012","14","6","1532","1535","10.1021/ol300263z","","","0.71073","MoKα","","0.0881","0.0712","","","0.2222","0.238","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507176","7.8925","0.0002","14.7158","0.0005","15.8394","0.0006","90","","90","","90","","1839.66","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Lyżwa, Dawid; Dudziński, Krzysztof; Kwiatkowski, Piotr","High-pressure accelerated asymmetric organocatalytic friedel-crafts alkylation of indoles with enones: application to quaternary stereogenic centers construction.","Organic letters","2012","14","6","1540","1543","10.1021/ol300274u","","","0.71073","MoKα","","0.0401","0.0328","","","0.0766","0.0802","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507177","17.5092","0.001","10.496","0.0006","18.0138","0.0011","90","","100.221","0.001","90","","3258","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H62 F12 Hg2 N6 O16 S4 -","- C56 H61 F12 Hg2 N6 O16 S4 -","- C112 H122 F24 Hg4 N12 O32 S8 -","2","1","","Ikeda, Mari; Matsu-Ura, Aya; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Hg(2+)-sensing system based on structures of complexes.","Organic letters","2012","14","6","1564","1567","10.1021/ol3002943","","","0.71073","MoKα","","0.0425","0.0381","","","0.0968","0.1035","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507178","11.7903","0.0003","4.7128","0.0001","12.0475","0.0003","90","","93.584","0.001","90","","668.11","0.03","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O -","- C16 H20 O -","- C32 H40 O2 -","2","1","","Ye, Juntao; Li, Suhua; Chen, Bo; Fan, Wu; Kuang, Jinqiang; Liu, Jinxian; Liu, Yu; Miao, Bukeyan; Wan, Baoqiang; Wang, Yuli; Xie, Xi; Yu, Qiong; Yuan, Weiming; Ma, Shengming","Catalytic asymmetric synthesis of optically active allenes from terminal alkynes.","Organic letters","2012","14","5","1346","1349","10.1021/ol300296k","","","1.54178","CuKα","","0.0267","0.0266","","","0.0676","0.0677","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507179","6.7576","0.0003","10.2462","0.0004","34.321","0.0015","90","","92.832","0.002","90","","2373.47","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Br N2 O -","- C12 H15 Br N2 O -","- C96 H120 Br8 N16 O8 -","8","2","","Sather, Aaron C.; Berryman, Orion B.; Rebek, Jr, Julius","Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide.","Organic letters","2012","14","6","1600","1603","10.1021/ol300303s","","","1.54178","CuKα","","0.0863","0.0703","","","0.1821","0.194","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507180","6.6859","0.0004","15.6593","0.001","10.898","0.0007","90","","97.943","0.002","90","","1130.04","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Br2 N2 O2 -","- C9 H10 Br2 N2 O2 -","- C36 H40 Br8 N8 O8 -","4","1","","Sather, Aaron C.; Berryman, Orion B.; Rebek, Jr, Julius","Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide.","Organic letters","2012","14","6","1600","1603","10.1021/ol300303s","","","1.54178","CuKα","","0.0255","0.0249","","","0.0695","0.0702","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507181","11.8358","0.0003","19.5236","0.0005","7.8905","0.0002","90","","94.652","0.001","90","","1817.31","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 N2 O -","- C8 H6 Br2 N2 O -","- C64 H48 Br16 N16 O8 -","8","2","","Sather, Aaron C.; Berryman, Orion B.; Rebek, Jr, Julius","Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide.","Organic letters","2012","14","6","1600","1603","10.1021/ol300303s","","","1.54178","CuKα","","0.0324","0.0297","","","0.0816","0.0926","","","","","","1.295","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507182","7.5423","0.0007","16.3967","0.0015","8.2715","0.0007","90","","98.206","0.004","90","","1012.45","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Sather, Aaron C.; Berryman, Orion B.; Rebek, Jr, Julius","Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide.","Organic letters","2012","14","6","1600","1603","10.1021/ol300303s","","","1.54178","CuKα","","0.0543","0.0522","","","0.227","0.2362","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507183","6.1073","0.0002","23.4255","0.0005","17.989","0.0005","90","","94.744","0.002","90","","2564.81","0.12","183","2","183","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2-(phenylethynyl)azulene","","- C18 H12 -","- C18 H12 -","- C144 H96 -","8","2","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0776","0.0438","","","0.0878","0.1018","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507184","7.5696","0.0002","5.8934","0.0002","14.6636","0.0005","90","","100.138","0.004","90","","643.94","0.04","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(4-fluorophenyl)ethynyl]azulene","","- C18 H11 F -","- C18 H11 F -","- C36 H22 F2 -","2","1","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0459","0.04","","","0.0977","0.1008","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507185","7.0895","0.0003","30.5179","0.0009","6.8117","0.0002","90","","104.535","0.004","90","","1426.59","0.09","183","2","183","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-[(pentafluorophenyl)ethynyl]azulene","","- C18 H7 F5 -","- C18 H7 F5 -","- C72 H28 F20 -","4","0.5","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0535","0.0385","","","0.1151","0.1199","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507186","8.0978","0.0002","9.3709","0.0003","37.1641","0.001","83.125","0.002","83.815","0.002","89.8","0.002","2783.45","0.14","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","[4-(azulen-2-ylethynyl)phenyl][bis(2,4,6-trimethylphenyl]borane","","- C36 H33 B -","- C36 H33 B -","- C144 H132 B4 -","4","2","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0648","0.0526","","","0.1216","0.1288","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507187","12.2001","0.0002","25.9168","0.0005","7.495","0.0001","90","","90","","90","","2369.83","0.07","183","2","183","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(azulen-2-ylethynyl)thiophene","","- C16 H10 S -","- C16 H10 S -","- C128 H80 S8 -","8","2","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0496","0.0399","","","0.0937","0.1013","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507188","10.376","0.0005","15.535","0.0006","15.069","0.0007","90","0.003","117.511","0.002","90","0.003","2154.32","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N O P S2 -","- C26 H18 N O P S2 -","- C104 H72 N4 O4 P4 S8 -","4","1","","Chua, Chris Jansen; Ren, Yi; Baumgartner, Thomas","Charge-transfer properties of lateral triphenylamine-dithienophosphole diads.","Organic letters","2012","14","6","1588","1591","10.1021/ol300331f","","","0.71073","MoKα","","0.0945","0.0686","","","0.1723","0.2037","","","","","","1.178","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507189","10.353","0.005","10.636","0.005","13.268","0.006","87.662","0.006","72.51","0.005","63.637","0.005","1241.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O2 S -","- C31 H25 N O2 S -","- C62 H50 N2 O4 S2 -","2","1","","Luo, Yong; Wu, Jie","Generation of Indeno[1,2-c]pyrroles via a Pd-Catalyzed Reaction of 2-Alkynylbromobenzene with Propargylic Sulfonamide.","Organic letters","2012","14","6","1592","1595","10.1021/ol300334h","","","0.71073","MoKα","","0.0717","0.0517","","","0.1394","0.1563","","","","","","0.987","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507190","10.306","0.002","10.45","0.002","11.48","0.003","90","","104.939","0.004","90","","1194.6","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O5 -","- C24 H34 N2 O5 -","- C48 H68 N4 O10 -","2","1","","Veerasamy, Nagarathanam; Carlson, Erik C.; Carter, Rich G.","Expedient enantioselective synthesis of cermizine d.","Organic letters","2012","14","6","1596","1599","10.1021/ol300342n","","","0.71073","MoKα","","0.0579","0.0416","","","0.0784","0.0865","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507191","16.3943","0.0018","13.1063","0.0014","16.7797","0.0018","90","","106.895","0.002","90","","3449.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C168 H160 N16 O16 -","8","1","","Fan, Feng; Xie, Weiqing; Ma, Dawei","Construction of Polycyclic Spiro-indolines via an Intramolecular Oxidative Coupling/Cyclization Cascade Reaction Process.","Organic letters","2012","14","6","1405","1407","10.1021/ol3003496","","","0.71073","MoKα","","0.0681","0.0486","","","0.1268","0.1365","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507192","13.3486","0.0006","14.6574","0.0006","20.1067","0.0014","90","","90","","90","","3934","0.4","185","2","185","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-[(2R,5aR,9aS)-9a-((R)]-(3,5-dimethoxyphenyl)(methoxymethoxy) methyl)-2,6,7,8,9,9a-hexahydro-1H-2,5a-epoxybenzo[d]oxepine","","- C21 H28 O6 -","- C21 H28 O6 -","- C168 H224 O48 -","8","2","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0477","0.039","","","0.0952","0.1118","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507193","12.3489","0.0008","15.4961","0.0008","12.4019","0.0008","90","","133.278","0.009","90","","1727.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(2R,5aR,9aS)-9a-((S)-benzo[d][1,3]dioxol-5-yl (methoxymethoxy)methyl)-2,6,7,8,9,9a-hexahydro-1H-2,5a- epoxybenzo[d]oxepine","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0543","0.0418","","","0.1127","0.1278","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507194","18.037","0.006","7.825","0.005","13.631","0.01","90","","98.78","0.02","90","","1901","2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(2R,5aR,9aS)-9a-((R)-(3,5-dimethylphenyl)(methoxymethoxy)methyl)-2,6,7,8,9,9a- hexahydro-1H-2,5a-epoxybenzo[d]oxepine","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.7107","MoKα","","0.0665","0.044","","","0.1057","0.1194","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507195","9.031","0.002","13.795","0.005","11.711","0.004","90","","97.189","0.005","90","","1447.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(4aR,8aR,9R)-11-methoxy-5,6,7,8,9,13b-hexahydro-1H- 1,9-epoxy-3,8a-methanoanthra[4a,10-d][1,3]dioxin","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71069","MoKα","","0.0853","0.0482","","","0.1126","0.1321","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507196","16.323","0.006","13.692","0.004","16.372","0.006","90","","117.681","0.005","90","","3240.3","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-(4aR,8aR,9R)-1,11-dimethoxy-5,6,7,8,9,13b-hexahydro-1H-1,9- epoxy-3,8a-methanoanthra[4a,10-d][1,3]dioxine","","- C19 H22 O5 -","- C19 H22 O5 -","- C152 H176 O40 -","8","2","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71069","MoKα","","0.0896","0.0526","","","0.1263","0.149","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507197","19.944","0.006","8.853","0.004","16.494","0.006","90","","91.918","0.005","90","","2910.6","1.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","rac-(4aR,8aR,9R)-5,6,7,8,9,14b-hexahydro-1H-1,9-epoxy-3,8a-methano [1,3] dioxolo[4',5':6,7]anthra[4a,10-d][1,3]dioxine","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71069","MoKα","","0.0662","0.0448","","","0.1055","0.1171","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507198","10.611","0.003","8.44","0.002","23.181","0.005","90","","94.281","0.008","90","","2070.2","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","mixture of rac (2S,4S,4aR,6R,6aS,10aS)-6-(3,4,5-trimethoxyphenyl) hexahydro-4H-2,6a-methano[1,3] dioxino[5,4-c]isobenzofuran-4-yl acetate and of rac (2S,4S,4aR,6R,6aR,10aS)-6-hydroxy-6-(3,4,5-trimethoxyphenyl) hexahydro-4H-2,6a-methano[1,3]dioxino[5,4-c]isobenzofuran-4-yl acetate hydrate 0.81:0.19","","- C22 H28.38 O8.38 -","- C22 H28.372 O8.372 -","- C88 H113.488 O33.488 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71069","MoKα","","0.0705","0.0447","","","0.1017","0.1144","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507199","8.0657","0.0006","10.0909","0.0008","11.7529","0.001","80.484","0.006","70.886","0.005","81.82","0.006","887.4","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","racemic (2S,4S,4aR,6R,6aS,10aS)-6-(benzo[d][1,3]dioxol-5-yl) hexahydro-4H-2,6a-methano[1,3]dioxino[5,4-c]isobenzofuran-4-yl acetate","","- C20 H22 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.076","0.049","","","0.1174","0.1628","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507200","7.3848","0.0005","7.8147","0.0007","12.8239","0.0003","90","","104.222","0.006","90","","717.38","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aR,9R,9aR)-7-methoxy-1,2,3,4,9,10-hexahydro-4a,9a- (epoxyethano)-9,10-(epoxymethano)anthracene","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71073","MoKα","","0.052","0.0389","","","0.094","0.0997","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507201","8.1781","0.0011","10.0146","0.0017","11.4361","0.0014","100.38","0.011","109.448","0.01","108.411","0.012","794.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(rac-(3aS,7aS,8S,10R)-10-(3,5-dimethylphenyl)hexahydro- 3a,7a-(methanooxymethano)benzofuran-8-yl)methanol","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71073","MoKα","","0.0733","0.0505","","","0.1193","0.1383","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507202","8.1543","0.0003","10.2746","0.0003","10.7365","0.0007","92.296","0.007","90.564","0.006","98.526","0.007","888.76","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","racemic ((2S,2aS,6aS,8S,12bR)-9,10,11-trimethoxy-2,3,4,5,6,7,8,12b-octahydro-2a,8 -epoxynaphtho[1,2-c]isobenzofuran-2-yl)methanol","","- C20 H26 O6 -","- C20 H26 O6 -","- C40 H52 O12 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0525","0.0443","","","0.1181","0.1368","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507203","6.7785","0.0002","8.1193","0.0003","30.163","0.002","90","","90","","90","","1660.07","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((2S,2aS,6aS,8R,12bR)-10-methoxy-9,11-dimethyl-2,3,4,5,6,7,8,12b -octahydro-2a,8-epoxynaphtho[1,2-c]isobenzofuran-2-yl)methanol","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0936","0.0689","","","0.1508","0.1871","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507204","13.0857","0.0004","7.8334","0.0002","20.9658","0.0016","90","","126.525","0.005","90","","1727.02","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(1S)-1-((2S,2aS,8R,12bR)-11-methoxy-2,3,4,5,6,7,8,12b-octahydro- 2a,8-epoxynaphtho[1,2-c]isobenzofuran-2-yl)but-3-en-1-ol","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0592","0.0452","","","0.1091","0.1295","","","","","","1.145","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507205","7.895","0.003","12.619","0.005","15.784","0.006","90","","90","","90","","1572.5","1.1","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Ogura, Akihiro; Yamada, Kohei; Yokoshima, Satoshi; Fukuyama, Tohru","Total synthesis of (-)-anisatin.","Organic letters","2012","14","6","1632","1635","10.1021/ol300390k","","","1.54187","CuKα","","","0.034","","","","0.0894","","","","","","0.894","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507206","12.0463","0.0008","9.4802","0.0005","11.8853","0.0006","90","","110.191","0.003","90","","1273.91","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(2-hydroxy-ethyl)-pyrrolidinium; 2,5-dihydroxy-benzoate","1-(2-hydroxy-ethyl)-pyrrolidinium; 2,5-dihydroxy-benzoate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.0512","0.0433","","","0.1189","0.1237","","","","","","1.101","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507207","6.708","0.0005","9.3067","0.0007","12.7864","0.0009","80.421","0.005","76.338","0.004","82.988","0.004","761.99","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","(3s,5s,7s)-adamantan-1-ammonium 2-hydroxybenzoate","(3s,5s,7s)-adamantan-1-ammonium 2-hydroxybenzoate","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.096","0.0503","","","0.117","0.1366","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507208","10.808","0.002","6.5508","0.0013","21.104","0.004","90","","99.42","0.03","90","","1474","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(3s,5s,7s)-adamantan-1-ammonium benzoate","(3s,5s,7s)-adamantan-1-ammonium benzoate","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.26","0.0988","","","0.2099","0.2986","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507209","12.157","0.003","6.9992","0.0017","17.778","0.004","90","","92.728","0.014","90","","1511","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(3s,5s,7s)-adamantan-1-ammonium 2,5-dihydroxybenzoate","(3s,5s,7s)-adamantan-1-ammonium 2,5-dihydroxybenzoate","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.1465","0.0712","","","0.153","0.1864","","","","","","0.906","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507210","19.76","0.004","11.178","0.002","11.485","0.002","90","","95.28","0.01","90","","2526","0.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1-(2-hydroxyethyl)pyrrolidin-1-ium benzoate","1-(2-hydroxyethyl)pyrrolidin-1-ium benzoate","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.1095","0.0494","","","0.1098","0.1312","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507211","10.165","0.001","12.302","0.001","11.254","0.001","90","","97.111","0.007","90","","1396.5","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","heptan-2-ammonium 2,5-dihydroxybenzoate","heptan-2-ammonium 2,5-dihydroxybenzoate","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.2183","0.105","","","0.1686","0.2021","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507212","11.668","0.002","9.365","0.001","12.161","0.002","90","","107.29","0.004","90","","1268.8","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(2-hydroxyethyl)pyrrolidin-1-ium 2-hydroxybenzoate","1-(2-hydroxyethyl)pyrrolidin-1-ium 2-hydroxybenzoate","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.","Protic pharmaceutical ionic liquids and solids: Aspects of protonics","Faraday Discussions","2012","154","","335","","10.1039/c1fd00071c","","","0.71073","MoKα","","0.1383","0.0703","","","0.1851","0.221","","","","","","1.072","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507560","10.3853","0.0015","12.7318","0.0018","13.241","0.002","115.256","0.002","97.283","0.003","109.275","0.003","1419.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H30 Cl2 -","- C38 H28.582 Cl2 -","- C76 H57.164 Cl4 -","2","1","","Shi, Min; Lu, Jian-Mei; Wei, Yin; Shao, Li-Xiong","Rapid generation of molecular complexity in the lewis or brønsted Acid-mediated reactions of methylenecyclopropanes.","Accounts of chemical research","2012","45","4","641","652","10.1021/ar200237z","","","0.71073","MoKα","","0.1372","0.0953","","","0.2831","0.315","","","","","","0.967","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507561","6.6209","0.0017","13.5606","0.0025","8.0462","0.0015","90","","90","","90","","722.4","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1,3,5-trihydroxybenzene dihydrate","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","0.5","","Braun, Doris E.; Tocher, Derek A.; Price, Sarah L.; Griesser, Ulrich J.","The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterization.","The journal of physical chemistry. B","2012","116","13","3961","3972","10.1021/jp211948q","","","0.71073","MoKα","","0.0444","0.0373","","","0.0895","0.0932","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507562","22.44","0.002","5.2005","0.0004","31.963","0.003","90","","107.996","0.002","90","","3547.6","0.5","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 N2 O4 S12 -","- C28 H24 N2 O4 S12 -","- C112 H96 N8 O16 S48 -","4","1","","Zhu, Qin-Yu; Han, Qiong-Hua; Shao, Ming-Yan; Gu, Jing; Shi, Zheng; Dai, Jie","Supramolecular and redox chemistry of tetrathiafulvalene monocarboxylic Acid with hydrogen-bonded pyridine and bipyridine molecules.","The journal of physical chemistry. B","2012","116","14","4239","4247","10.1021/jp2124179","","","0.71075","MoKα","","0.0882","0.0643","","","0.1255","0.1414","","","","","","1.093","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507563","7.274","0.008","5.066","0.006","17.43","0.02","90","","98.53","0.03","90","","635.2","1.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","","Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H.","Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans.","Journal of natural products","2012","75","4","707","715","10.1021/np2009994","","","0.71073","MoKα","","0.1044","0.071","","","0.1596","0.172","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507564","10.6276","0.0004","17.6706","0.0006","12.8917","0.0004","90","","104.187","0.002","90","","2347.17","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H60 N6 O9 -","- C53 H60 N6 O9 -","- C106 H120 N12 O18 -","2","1","","Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H.","Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans.","Journal of natural products","2012","75","4","707","715","10.1021/np2009994","","","1.54178","CuKα","","0.0316","0.0316","","","0.0845","0.0845","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1507565","13.8355","0.0015","10.4469","0.0011","10.3765","0.0011","90","","95.847","0.002","90","","1492","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","styryl[1,2] major product","styryl[1,2] major product","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Jaber, Deana M.; Burgin, Ryan N.; Helper, Matthew; Zavalij, Peter Y.; Doyle, Michael P.","Competitive [2,3]- and [1,2]-oxonium ylide rearrangements. Concerted or stepwise?","Organic letters","2012","14","7","1676","1679","10.1021/ol300213u","","","0.71073","MoKα","","0.0413","0.037","","","0.0739","0.0754","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507566","6.408","0.0005","32.53","0.003","7.8956","0.0006","90","","113.842","0.0012","90","","1505.4","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","styryl-[2,3]","styryl-[2,3]","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Jaber, Deana M.; Burgin, Ryan N.; Helper, Matthew; Zavalij, Peter Y.; Doyle, Michael P.","Competitive [2,3]- and [1,2]-oxonium ylide rearrangements. Concerted or stepwise?","Organic letters","2012","14","7","1676","1679","10.1021/ol300213u","","","0.71073","MoKα","","0.0408","0.0378","","","0.0733","0.0744","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507567","12.8363","0.0003","19.8364","0.0005","21.0723","0.0006","90","","96.788","0.003","90","","5327.9","0.2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H74 F6 N O10 P -","- C55 H74 F6 N O10 P -","- C220 H296 F24 N4 O40 P4 -","4","1","","Han, Chengyou; Yu, Guocan; Zheng, Bo; Huang, Feihe","Complexation between Pillar[5]arenes and a Secondary Ammonium Salt.","Organic letters","2012","14","7","1712","1715","10.1021/ol300284c","","","0.71073","MoKα","","0.0895","0.0632","","","0.153","0.1715","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507568","12.1586","0.0008","12.6802","0.0016","19.525","0.004","90","","103.689","0.013","90","","2924.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 Cu N3 P -","- C34 H35 Cu N3 P -","- C136 H140 Cu4 N12 P4 -","4","1","","Ren, Peng; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Copper-catalyzed alkylation of benzoxazoles with secondary alkyl halides.","Organic letters","2012","14","7","1748","1751","10.1021/ol300348w","","","0.71073","MoKα","","0.0466","0.0346","","","0.0726","0.0783","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507569","13.1836","0.0003","5.4727","0.0001","8.6078","0.0002","90","","92.362","0.002","90","","620.52","0.02","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Ryabchuk, Pavel; Rubina, Marina; Xu, Jack; Rubin, Michael","Formal nucleophilic substitution of bromocyclopropanes with azoles.","Organic letters","2012","14","7","1752","1755","10.1021/ol300352z","","","1.54178","CuKα","","0.0283","0.0266","","","0.0673","0.0682","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507570","7.0491","0.0012","11.375","0.002","16.904","0.003","97.301","0.003","94.058","0.003","99.077","0.003","1321.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Br N4 O8 -","- C25 H25 Br N4 O8 -","- C50 H50 Br2 N8 O16 -","2","1","","Shen, Kun; Han, Xiuling; Lu, Xiyan","Cationic Pd(II)-Catalyzed Highly Enantioselective Arylative Cyclization of Alkyne-Tethered Enals or Enones Initiated by Carbopalladation of Alkynes with Arylboronic Acids.","Organic letters","2012","14","7","1756","1759","10.1021/ol3003546","","","0.71073","MoKα","","0.0969","0.0656","","","0.2062","0.2419","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507571","10.8692","0.0015","5.7913","0.0008","29.339","0.004","90","","93.771","0.002","90","","1842.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11275a","","","- C18 H24 N O5 P -","- C18 H24 N O5 P -","- C72 H96 N4 O20 P4 -","4","1","","Dekorver, Kyle A.; Wang, Xiao-Na; Walton, Mary C.; Hsung, Richard P.","Carbocyclization Cascades of Allyl Ketenimines via Aza-Claisen Rearrangements of N-Phosphoryl-N-allyl-ynamides.","Organic letters","2012","14","7","1768","1771","10.1021/ol300366e","","","0.71073","MoKα","","0.0949","0.0475","","","0.0905","0.1097","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507572","22.7677","0.0006","9.8927","0.0003","20.9508","0.0008","90","","117.639","0.002","90","","4180.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C192 H184 N8 O32 S8 -","8","1","","Chen, Shi; Salo, Eric C.; Wheeler, Kraig A.; Kerrigan, Nessan J.","BINAPHANE-Catalyzed Asymmetric Synthesis of trans-β-Lactams from Disubstituted Ketenes and N-Tosyl Arylimines.","Organic letters","2012","14","7","1784","1787","10.1021/ol3003783","","","1.54178","CuKα","","0.0888","0.0543","","","0.1263","0.1449","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507573","13.2199","0.0007","13.2515","0.0006","26.9912","0.0014","90","","90.321","0.004","90","","4728.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O3 S -","- C24 H29 N O3 S -","- C192 H232 N8 O24 S8 -","8","4","","Chen, Shi; Salo, Eric C.; Wheeler, Kraig A.; Kerrigan, Nessan J.","BINAPHANE-Catalyzed Asymmetric Synthesis of trans-β-Lactams from Disubstituted Ketenes and N-Tosyl Arylimines.","Organic letters","2012","14","7","1784","1787","10.1021/ol3003783","","","1.54178","CuKα","","0.0649","0.0499","","0.1232","0.1164","","","","1.009","1.071","1.071","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507574","8.5279","0.0004","12.1776","0.0007","21.242","0.0012","90","","93.029","0.002","90","","2202.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","1","","Zhang, Qiang; Porco, Jr, John A","Total Synthesis of (±)-7-epi-Nemorosone.","Organic letters","2012","14","7","1796","1799","10.1021/ol300386t","","","0.71073","MoKα","","0.0542","0.0472","","","0.1265","0.1326","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507575","5.7228","0.0004","9.7296","0.0005","19.324","0.0014","90","","90","","90","","1075.97","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O -","- C13 H16 O -","- C52 H64 O4 -","4","1","","Kolb, Andreas; Hirner, Sebastian; Harms, Klaus; Zezschwitz, Paultheo von","Kinetic Resolution of Chiral Cyclohex-2-enones by Rhodium(I)/binap-Catalyzed 1,2- and 1,4-Additions.","Organic letters","2012","14","8","1978","1981","10.1021/ol300387f","","","0.71073","MoKα","","0.0364","0.029","","","0.0674","0.0688","","","","","","0.949","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507576","14.1173","0.0012","5.8848","0.0007","14.7685","0.0014","90","","109.122","0.01","90","","1159.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C60 H40 Br4 N4 -","4","1","","Zhang, Yicheng; Wang, Min; Li, Pinhua; Wang, Lei","Iron-Promoted Tandem Reaction of Anilines with Styrene Oxides via C-C Cleavage for the Synthesis of Quinolines.","Organic letters","2012","14","9","2206","2209","10.1021/ol300391t","","","0.71073","MoKα","","0.1148","0.055","","","0.105","0.1271","","","","","","0.982","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507577","6.0569","0.0006","12.7912","0.0012","17.5238","0.0016","90","","96.253","0.001","90","","1349.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Cai, Zhengxin; Yongpruksa, Nattawut; Harmata, Michael","Total synthesis of the terpenoid buddledone a: 11-membered ring-closing metathesis.","Organic letters","2012","14","7","1661","1663","10.1021/ol300400x","","","0.71073","MoKα","","0.057","0.0441","","","0.1096","0.1181","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507578","7.2341","0.0014","9.0463","0.0018","18.335","0.004","86.03","0.03","85.74","0.03","82.12","0.03","1183.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F N O4 -","- C12 H12 F N O4 -","- C48 H48 F4 N4 O16 -","4","2","","Wang, Junwei; Yuan, Yucheng; Xiong, Rui; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","Phenyliodine Bis(trifluoroacetate)-Mediated Oxidative C-C Bond Formation: Synthesis of 3-Hydroxy-2-oxindoles and Spirooxindoles from Anilides.","Organic letters","2012","14","9","2210","2213","10.1021/ol300418h","","","0.71073","MoKα","","0.1289","0.0797","","","0.2415","0.3178","","","","","","1.149","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1507579","6.5931","0.0002","38.1706","0.0013","8.8048","0.0003","90","","108.705","0.002","90","","2098.8","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl N O2 S -","- C23 H24 Cl N O2 S -","- C92 H96 Cl4 N4 O8 S4 -","4","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0456","0.0375","","","0.1084","0.1256","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507580","8.4272","0.0005","8.9805","0.0004","15.5272","0.0009","79.77","0.002","82.637","0.003","69.06","0.002","1077.37","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl N2 O4 S -","- C23 H23 Cl N2 O4 S -","- C46 H46 Cl2 N4 O8 S2 -","2","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0416","0.0337","","","0.0832","0.0884","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507581","5.8929","0.0007","11.5325","0.0014","29.228","0.004","90","","90","","90","","1986.3","0.4","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl N O2 S -","- C22 H22 Cl N O2 S -","- C88 H88 Cl4 N4 O8 S4 -","4","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0581","0.0428","","","0.0971","0.1093","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507582","6.4877","0.0012","7.8187","0.0014","36.654","0.007","90","","92.67","0.004","90","","1857.3","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl N0 O0 S0 -","- C23 H23 Cl -","- C92 H92 Cl4 -","4","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.1025","0.0707","","","0.1715","0.192","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507583","9.9234","0.0004","13.8004","0.0005","22.4554","0.001","90","","101.088","0.001","90","","3017.8","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 Cl -","- C18 H21 Cl -","- C144 H168 Cl8 -","8","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.1143","0.0561","","","0.1466","0.1865","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507584","6.3086","0.0002","8.4829","0.0003","14.951","0.0008","96.024","0.002","91.033","0.002","101.932","0.002","777.85","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 Br Cl -","- C17 H18 Br Cl -","- C34 H36 Br2 Cl2 -","2","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0961","0.0608","","","0.1617","0.1913","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507585","10.086","0.0002","10.0695","0.0002","11.2217","0.0002","90","","96.911","0.001","90","","1131.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C48 H52 N4 O12 -","2","1","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Assembly of Spirooxindole Derivatives Containing Four Consecutive Stereocenters via Organocatalytic Michael-Henry Cascade Reactions.","Organic letters","2012","14","7","1834","1837","10.1021/ol300441z","","","1.54178","CuKα","","0.0316","0.0311","","","0.081","0.0816","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507586","10.5664","0.0003","14.0387","0.0003","11.8735","0.0003","90","","91.954","0.001","90","","1760.27","0.08","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H17 Br2 N O5 -","- C16 H17 Br2 N O5 -","- C64 H68 Br8 N4 O20 -","4","1","","Hernández-Torres, Gloria; Tan, Bin; Barbas, 3rd, Carlos F","Organocatalysis as a safe practical method for the stereospecific dibromination of unsaturated compounds.","Organic letters","2012","14","7","1858","1861","10.1021/ol300456x","","","1.54184","CuKα","","0.0282","0.0281","","","0.0668","0.0669","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507587","19.513","0.01","10.041","0.005","16.438","0.009","90","","115.177","0.004","90","","2915","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 I2 -","- C16 H10 I2 -","- C128 H80 I16 -","8","1","","Wang, Li-Jing; Zhu, Hai-Tao; Lu, Lei; Yang, Fang; Liu, Xue-Yuan; Liang, Yong-Min","Highly Regioselective Synthesis of 1,3-Diiodonaphthalene Derivatives via a Sequential Cascade Iodocyclization.","Organic letters","2012","14","8","1990","1993","10.1021/ol300457c","","","0.71073","MoKα","","0.0482","0.0331","","","0.0761","0.0862","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507588","19.8356","0.0017","14.2421","0.0012","9.1127","0.0008","90","","102.316","0.001","90","","2515.1","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 B Br2 F3 N S3 -","- C22 H17 B Br2 F3 N S3 -","- C88 H68 B4 Br8 F12 N4 S12 -","4","1","","Wong, Hok-Lai; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Photochromic Thienylpyridine-Bis(alkynyl)borane Complexes: Toward Readily Tunable Fluorescence Dyes and Photoswitchable Materials.","Organic letters","2012","14","7","1862","1865","10.1021/ol3004595","","","0.71073","MoKα","","0.0662","0.0399","","","0.1021","0.1164","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507589","11.8322","0.0005","13.0547","0.0006","14.3274","0.0007","71.669","0.002","70.92","0.003","69.477","0.002","1908.15","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B Cl2 N S3 -","- C39 H32 B Cl2 N S3 -","- C78 H64 B2 Cl4 N2 S6 -","2","1","","Wong, Hok-Lai; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Photochromic Thienylpyridine-Bis(alkynyl)borane Complexes: Toward Readily Tunable Fluorescence Dyes and Photoswitchable Materials.","Organic letters","2012","14","7","1862","1865","10.1021/ol3004595","","","0.71073","MoKα","","0.142","0.0971","","","0.2764","0.3118","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507590","11.2161","0.0002","11.3765","0.0002","16.423","0.0004","80.24","0.004","79.998","0.002","65.672","0.002","1869.23","0.07","100","2","100","1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C37 H46 Cl4 N6 Rh2 -","- C37 H46 Cl4 N6 Rh2 -","- C74 H92 Cl8 N12 Rh4 -","2","1","","Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.","Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.","Organic letters","2012","14","7","1866","1868","10.1021/ol3004657","","x-ray","0.71073","MoKα","","0.0346","0.0261","","","0.0666","0.069","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507591","11.5888","0.0001","20.8645","0.0002","29.5473","0.0003","90","","90","","90","","7144.38","0.12","100","2","100","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H46 Cl2 N6 Rh2 -","- C37 H46 Cl2 N6 Rh2 -","- C296 H368 Cl16 N48 Rh16 -","8","2","","Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.","Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.","Organic letters","2012","14","7","1866","1868","10.1021/ol3004657","","x-ray","1.54184","CuKα","","0.0425","0.0379","","","0.0797","0.0828","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507592","12.2404","0.0001","16.9563","0.0001","17.6791","0.0001","90","","90","","90","","3669.33","0.04","100","1","100","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 Cl2 N6 Rh2 -","- C38 H48 Cl2 N6 Rh2 -","- C152 H192 Cl8 N24 Rh8 -","4","1","","Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.","Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.","Organic letters","2012","14","7","1866","1868","10.1021/ol3004657","","x-ray","1.54184","CuKα","","0.0168","0.0167","","","0.0421","0.0422","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507593","8.6356","0.0006","14.1494","0.001","17.9588","0.0013","90","","90","","90","","2194.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O3 S2 -","- C22 H25 N O3 S2 -","- C88 H100 N4 O12 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.046","0.0388","","","0.0985","0.1036","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507594","13.485","0.0011","16.4869","0.0014","7.219","0.0006","90","","90","","90","","1605","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.035","0.0325","","","0.084","0.086","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507595","8.9067","0.0008","12.3031","0.0011","16.8821","0.0016","90","","90","","90","","1849.9","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S2 -","- C20 H19 N O2 S2 -","- C80 H76 N4 O8 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.0252","0.0234","","","0.0635","0.0651","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507596","10.3022","0.0006","6.6239","0.0004","14.3858","0.0009","90","","106.691","0.001","90","","940.34","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S2 -","- C20 H21 N O3 S2 -","- C40 H42 N2 O6 S4 -","2","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.0291","0.0284","","","0.074","0.0748","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507597","8.0505","0.0009","10.4346","0.0011","15.117","0.0016","90","","90","","90","","1269.9","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-5-bromo-3-hydroxy-1-methyl-3-(2-methylallyl)indolin-2-one","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Hanhan, Nadine V.; Tang, Yng C.; Tran, Ngon T.; Franz, Annaliese K.","Scandium(III)-Catalyzed Enantioselective Allylation of Isatins Using Allylsilanes.","Organic letters","2012","14","9","2218","2221","10.1021/ol300496v","","","0.71073","MoKα","","0.0242","0.0211","","","0.0476","0.0486","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507598","10.4582","0.0019","12.843","0.002","18.961","0.003","77.762","0.002","86.64","0.002","88.699","0.002","2484.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl N2 O4 S -","- C26 H25 Cl N2 O4 S -","- C104 H100 Cl4 N8 O16 S4 -","4","2","","Shi, Shi-Hui; Huang, Fu-Ping; Zhu, Ping; Dong, Zhen-Wen; Hui, Xin-Ping","Synergistic Chiral Ion Pair Catalysts for Asymmetric Catalytic Synthesis of Quaternary α,β-Diamino Acids.","Organic letters","2012","14","8","2010","2013","10.1021/ol300510b","","","0.71073","MoKα","","0.1293","0.0689","","","0.1592","0.1986","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507599","20.7827","0.0018","11.5084","0.001","11.8588","0.0007","90","","98.727","0.002","90","","2803.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","2","","Prakash, Muthuraj; Kesavan, Venkitasamy","Highly Enantioselective Synthesis of 2,3-Dihydroquinazolinones through Intramolecular Amidation of Imines.","Organic letters","2012","14","7","1896","1899","10.1021/ol300518m","","","0.71073","MoKα","","0.0668","0.0552","","","0.1539","0.166","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507600","8.7602","0.0013","19.148","0.003","10.7909","0.0016","90","","110.824","0.011","90","","1691.8","0.5","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Kumar, Puneet; Louie, Janis","A Single Step Approach to Piperidines via Ni-Catalyzed β-Carbon Elimination.","Organic letters","2012","14","8","2026","2029","10.1021/ol300534j","","","0.71073","MoKα","","0.1173","0.0629","","","0.1321","0.1638","","","","","","1.116","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507601","14.8256","0.0005","15.0546","0.0005","21.3969","0.0007","84.635","0.002","75.121","0.002","62.07","0.002","4075.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Br O3 P -","- C28 H36 Br O3 P -","- C168 H216 Br6 O18 P6 -","6","3","","Lee, Chia-Jui; Jang, Yeong-Jiunn; Wu, Zong-Ze; Lin, Wenwei","Preparation of Functional Phosphorus Zwitterions from Activated Alkanes, Aldehydes, and Tributylphosphine: Synthesis of Polysubstituted Furo[3,2-c]coumarins.","Organic letters","2012","14","7","1906","1909","10.1021/ol3005479","","","0.71073","MoKα","","0.0887","0.0527","","","0.1414","0.1633","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507602","12.5968","0.0003","11.9364","0.0003","17.7064","0.0005","90","","91.668","0.001","90","","2661.21","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 N O3 P -","- C27 H38 N O3 P -","- C108 H152 N4 O12 P4 -","4","1","","Lee, Chia-Jui; Jang, Yeong-Jiunn; Wu, Zong-Ze; Lin, Wenwei","Preparation of Functional Phosphorus Zwitterions from Activated Alkanes, Aldehydes, and Tributylphosphine: Synthesis of Polysubstituted Furo[3,2-c]coumarins.","Organic letters","2012","14","7","1906","1909","10.1021/ol3005479","","","0.71073","MoKα","","0.1379","0.0708","","","0.1819","0.2311","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507603","13.6171","0.0003","19.1937","0.0004","20.4913","0.0006","116.665","0.001","102.662","0.001","97.2168","0.0014","4512.9","0.2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H45 N3 O2 -","- C48 H45 N3 O2 -","- C192 H180 N12 O8 -","4","2","","Maeda, Chihiro; Yoshioka, Naoki","Synthesis and Characterization of Novel Fused Porphyrinoids Based on Cyclic Carbazole[2]indolones.","Organic letters","2012","14","8","2122","2125","10.1021/ol300585v","","","1.54187","CuKα","","0.1963","0.0938","","","0.2198","0.2669","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507604","6.3794","0.001","9.6296","0.0015","10.9141","0.0017","90.102","0.003","101.332","0.003","106.314","0.003","629.77","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 Br N3 O4 S -","- C9 H12 Br N3 O4 S -","- C18 H24 Br2 N6 O8 S2 -","2","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.0409","0.0373","","","0.0998","0.1015","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507605","7.3058","0.0009","13.488","0.0016","23.95","0.003","90","","97.257","0.002","90","","2341.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N6 O8 S2 -","- C18 H24 N6 O8 S2 -","- C72 H96 N24 O32 S8 -","4","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.0564","0.0486","","","0.1307","0.1369","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507606","7.8606","0.001","8.0861","0.001","15.4119","0.0018","95.983","0.002","91.92","0.002","107.84","0.002","925.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N5 O6 S -","- C16 H19 N5 O6 S -","- C32 H38 N10 O12 S2 -","2","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.0711","0.0576","","","0.1565","0.1647","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507607","12.401","0.002","12.639","0.002","12.675","0.002","90","","118.977","0.003","90","","1737.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N5 O5 S -","- C14 H21 N5 O5 S -","- C56 H84 N20 O20 S4 -","4","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.047","0.0378","","","0.0951","0.0989","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507608","9.0406","0.0014","9.2323","0.0014","11.7807","0.0017","83.999","0.003","79.454","0.003","75.926","0.003","935.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 N5 O5 S -","- C15 H25 N5 O5 S -","- C30 H50 N10 O10 S2 -","2","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.0878","0.0832","","","0.2274","0.2342","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507609","12.692","0.003","13.102","0.003","13.702","0.003","110.343","0.003","95.797","0.004","110.49","0.003","1935.8","0.8","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H41 Br4 N9 O8 S -","- C28 H41 Br4 N9 O8 S -","- C56 H82 Br8 N18 O16 S2 -","2","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.1024","0.0706","","","0.2008","0.2408","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507610","6.0349","0.0017","6.944","0.002","29.781","0.009","90","","95.57","0.011","90","","1242.1","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","0.71073","MoKα","","0.117","0.1102","","","0.3248","0.3347","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507611","9.0675","0.0003","6.0052","0.0002","21.3783","0.0008","90","","98.657","0.002","90","","1150.83","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","0.71073","MoKα","","0.0563","0.0435","","","0.1219","0.1314","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507612","16.1951","0.0004","7.5226","0.0003","23.5755","0.0009","90","","107.623","0.002","90","","2737.39","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","0.71073","MoKα","","0.0474","0.0384","","","0.1129","0.1213","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507613","11.0852","0.0002","7.9804","0.0001","31.3518","0.0005","90","","90","","90","","2773.52","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","1.54178","CuKα","","0.0285","0.0281","","","0.0752","0.0755","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507614","6.3563","0.0016","7.9604","0.0013","20.414","0.004","87.759","0.012","89.3","0.018","74.762","0.018","995.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N2 O2 S2 -","- C20 H28 N2 O2 S2 -","- C40 H56 N4 O4 S4 -","2","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","1.54187","CuKα","","0.0441","0.0408","","","0.1029","0.1057","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507615","7.3341","0.0003","10.3949","0.0004","14.8921","0.0008","90","","90","","90","","1135.33","0.09","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Kobayakawa, Yu; Mori, Yusuke; Okajima, Hideki; Terada, Yasuhiko; Nakada, Masahisa","Asymmetric and Highly Stereoselective Synthesis of the DEF-Ring Moiety of (-)-FR182877 and Its Derivative Inducing Mitotic Arrest.","Organic letters","2012","14","8","2086","2089","10.1021/ol300615w","","","0.71075","MoKα","","","0.0359","","","","0.103","","","","","","0.871","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507616","7.1902","0.0003","11.3975","0.0004","18.3499","0.0006","90","","90","","90","","1503.78","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Lian, Yajing; Davies, Huw M. L.","Rh(2)(S-biTISP)(2)-Catalyzed Asymmetric Functionalization of Indoles and Pyrroles with Vinylcarbenoids.","Organic letters","2012","14","7","1934","1937","10.1021/ol300632p","","","1.54178","CuKα","","0.0377","0.0353","","","0.1136","0.1172","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507617","5.7129","0.0005","14.9506","0.0011","6.4594","0.0005","90","","112.684","0.003","90","","509.03","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2S,4S,5R,6S)-2-acetoxy-4-methylbicyclo[3.2.0]heptane-4,6-diol","","- C10 H16 O4 -","- C10 H16 O4 -","- C20 H32 O8 -","2","1","","Farcet, Jean-Baptiste; Himmelbauer, Martin; Mulzer, Johann","A Non-Photochemical Approach to the Bicyclo[3.2.0]heptane Core of Bielschowskysin.","Organic letters","2012","14","9","2195","2197","10.1021/ol3006419","","","0.71073","MoKα","","0.0529","0.0419","","","0.1038","0.1091","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507618","7.158","0.006","13.583","0.012","21.526","0.019","90","","90","","90","","2093","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N3 O2 -","- C23 H18 Br N3 O2 -","- C92 H72 Br4 N12 O8 -","4","1","","Gu, Peiming; Su, Yan; Wu, Xiu-Ping; Sun, Jian; Liu, Wanyi; Xue, Ping; Li, Rui","Enantioselective Preparation of cis-β-Azidocyclopropane Esters by Cyclopropanation of Azido Alkenes Using a Chiral Dirhodium Catalyst.","Organic letters","2012","14","9","2246","2249","10.1021/ol3006437","","","0.71073","MoKα","","0.0774","0.0374","","","0.0685","0.0799","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507619","11.8721","0.0011","13.221","0.0012","13.4918","0.0012","118.274","0.002","101.488","0.002","102.795","0.002","1700.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TL5-mullet","sarpong25","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C76 H76 Br4 O20 -","4","2","","Lebold, Terry P.; Gallego, Gary M.; Marth, Christopher J.; Sarpong, Richmond","Synthesis of the bridging framework of phragmalin-type limonoids.","Organic letters","2012","14","8","2110","2113","10.1021/ol300647k","","","1.54178","CuKα","","0.0343","0.034","","","0.0875","0.0878","","","","","","1.026","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1507620","11.316","0.004","5.8089","0.0019","27.45","0.009","90","","92.831","0.004","90","","1802.2","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Ye, Yang; Zhang, Li; Fan, Renhua","Application of dearomatization strategy on the synthesis of furoquinolinone and angelicin derivatives.","Organic letters","2012","14","8","2114","2117","10.1021/ol300648t","","","0.71073","MoKα","","0.0812","0.0541","","","0.1308","0.1435","","","","","","0.927","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507621","10.0464","0.0001","7.8254","0.0001","19.3562","0.0003","90","","102.457","0.001","90","","1485.9","0.03","180","2","180","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Kinghorn 1832","","","- C29 H42 O13 S -","- C29 H42 O13 S -","- C58 H84 O26 S2 -","2","1","","Pan, Li; Terrazas, Cesar; Lezama-Davila, Claudio M; Rege, Nirmala; Gallucci, Judith C.; Satoskar, Abhay R.; Kinghorn, A. Douglas","Cordifolide A, a Sulfur-Containing Clerodane Diterpene Glycoside from Tinospora cordifolia.","Organic letters","2012","14","8","2118","2121","10.1021/ol300657h","","x-ray","0.71073","MoKα","","0.0465","0.0358","","","0.0837","0.0888","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507622","18.4245","0.0006","6.8593","0.0002","7.259","0.0003","90","","95.853","0.002","90","","912.6","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 B Cl F3 K O -","- C7 H4 B Cl F3 K O -","- C28 H16 B4 Cl4 F12 K4 O4 -","4","1","","Dumas, Aaron M.; Bode, Jeffrey W.","Synthesis of acyltrifluoroborates.","Organic letters","2012","14","8","2138","2141","10.1021/ol300668m","","","1.54178","CuKα","","0.0285","0.0253","","","0.0666","0.0682","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507623","16.9479","0.0013","8.3269","0.0005","22.8887","0.0013","90","","99.485","0.006","90","","3186","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 B F3 K N O -","- C16 H16 B F3 K N O -","- C128 H128 B8 F24 K8 N8 O8 -","8","1","","Dumas, Aaron M.; Bode, Jeffrey W.","Synthesis of acyltrifluoroborates.","Organic letters","2012","14","8","2138","2141","10.1021/ol300668m","","","0.71073","MoKα","","0.0699","0.0421","","","0.0925","0.1053","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507624","10.4778","0.0007","10.5926","0.0006","12.6565","0.0008","66.666","0.002","75.97","0.002","73.169","0.002","1221.46","0.13","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H24 Br N O3 S -","- C30 H24 Br N O3 S -","- C60 H48 Br2 N2 O6 S2 -","2","2","","Hao, Lin; Du, Yu; Lv, Hui; Chen, Xingkuan; Jiang, Huishen; Shao, Yaling; Chi, Yonggui Robin","Enantioselective Activation of Stable Carboxylate Esters as Enolate Equivalents via N-Heterocyclic Carbene Catalysts.","Organic letters","2012","14","8","2154","2157","10.1021/ol300676w","","","0.71073","MoKα","","0.0548","0.0387","","","0.0735","0.0776","","","","","","0.987","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507625","11.886","0.0005","14.994","0.0006","11.9745","0.0005","90","","93.4","0.001","90","","2130.32","0.15","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C108 H92 N12 O8 -","4","1","","Hao, Lin; Du, Yu; Lv, Hui; Chen, Xingkuan; Jiang, Huishen; Shao, Yaling; Chi, Yonggui Robin","Enantioselective Activation of Stable Carboxylate Esters as Enolate Equivalents via N-Heterocyclic Carbene Catalysts.","Organic letters","2012","14","8","2154","2157","10.1021/ol300676w","","","0.71073","MoKα","","0.0832","0.0499","","","0.1234","0.1494","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507626","8.6184","0.0009","9.2516","0.001","10.4144","0.001","74.069","0.005","66.256","0.005","84.454","0.006","730.81","0.13","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 B F2 N2 -","- C15 H19 B F2 N2 -","- C30 H38 B2 F4 N4 -","2","1","","Lundrigan, Travis; Baker, Alexander E. G.; Longobardi, Lauren E.; Wood, Tabitha E.; Smithen, Deborah A.; Crawford, Sarah M.; Cameron, T. Stanley; Thompson, Alison","An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s.","Organic letters","2012","14","8","2158","2161","10.1021/ol300681w","","","0.7107","MoKα","","","0.0476","","","","0.0548","","","","","","1.077","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507627","9.3694","0.0016","12.21","0.002","8.6351","0.0016","104.023","0.0015","114.143","0.012","99.813","0.014","833.1","0.3","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 B F2 N2 -","- C17 H23 B F2 N2 -","- C34 H46 B2 F4 N4 -","2","1","","Lundrigan, Travis; Baker, Alexander E. G.; Longobardi, Lauren E.; Wood, Tabitha E.; Smithen, Deborah A.; Crawford, Sarah M.; Cameron, T. Stanley; Thompson, Alison","An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s.","Organic letters","2012","14","8","2158","2161","10.1021/ol300681w","","","0.7107","MoKα","","","0.0693","","","","0.0775","","","","","","0.944","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507628","11.7","0.006","14.423","0.002","11.934","0.003","90","0","38.561","0.006","90","0","1255.3","0.8","296.1","","296.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","1","","Lundrigan, Travis; Baker, Alexander E. G.; Longobardi, Lauren E.; Wood, Tabitha E.; Smithen, Deborah A.; Crawford, Sarah M.; Cameron, T. Stanley; Thompson, Alison","An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s.","Organic letters","2012","14","8","2158","2161","10.1021/ol300681w","","","1.54178","CuKα","","","0.0554","","","","0.2073","","","","","","1.035","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507629","14.3864","0.0005","8.8874","0.0003","17.1044","0.0006","90","","99.141","0.004","90","","2159.16","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O4 Pd2 S2 -","- C20 H24 O4 Pd2 S2 -","- C80 H96 O16 Pd8 S8 -","4","1","","Yu, Ming; Xie, Yongju; Xie, Chunsong; Zhang, Yuhong","Palladium-catalyzed C-h alkenylation of arenes using thioethers as directing groups.","Organic letters","2012","14","8","2164","2167","10.1021/ol3006997","","","0.71073","MoKα","","0.039","0.0265","","","0.0498","0.0541","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507630","10.7151","0.001","12.2558","0.0012","13.2521","0.0013","90","","90","","90","","1740.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Total synthesis of 7'-desmethylkealiiquinone.","Organic letters","2012","14","9","2274","2277","10.1021/ol300704w","","","0.71073","MoKα","","0.0566","0.0473","","","0.1089","0.1239","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507631","30.346","0.005","10.9036","0.0015","13.4081","0.0018","90","","113.244","0.003","90","","4076.4","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C192 H192 N16 O32 -","8","1","","Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Total synthesis of 7'-desmethylkealiiquinone.","Organic letters","2012","14","9","2274","2277","10.1021/ol300704w","","","0.71073","MoKα","","0.091","0.0465","","","0.1011","0.1111","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507632","12.1517","0.0002","20.6813","0.0004","7.6469","0.0001","90","","100.562","0.001","90","","1889.2","0.05","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Toh, Kah Kah; Sanjaya, Stephen; Sahnoun, Sophian; Chong, Sin Yee; Chiba, Shunsuke","Copper-catalyzed aerobic intramolecular carbo- and amino-oxygenation of alkynes for synthesis of azaheterocycles.","Organic letters","2012","14","9","2290","2292","10.1021/ol3007106","","","0.71073","MoKα","","0.0518","0.0403","","","0.1177","0.1374","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507633","11.447","0.003","11.392","0.003","19.82","0.005","90","","91.98","0.003","90","","2583.1","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 N O7 S -","- C26 H39 N O7 S -","- C104 H156 N4 O28 S4 -","4","1","","Zhao, Changgui; Zheng, Huaiji; Jing, Peng; Fang, Bowen; Xie, Xingang; She, Xuegong","Tandem oxidative dearomatization/intramolecular diels-alder reaction for construction of the tricyclic core of palhinine a.","Organic letters","2012","14","9","2293","2295","10.1021/ol3007138","","","0.71073","MoKα","","0.1354","0.0626","","","0.1081","0.1335","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507634","8.0559","0.0003","14.2981","0.0005","21.0979","0.0007","90","","90","","90","","2430.14","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O3 P -","- C29 H27 O3 P -","- C116 H108 O12 P4 -","4","1","","Wang, Shouliang; Li, Jinjin; Miao, Tingting; Wu, Wenhao; Li, Qing; Zhuang, Yue; Zhou, Zhongyuan; Qiu, Liqin","Highly Efficient Synthesis of a Class of Novel Chiral-Bridged Atropisomeric Monophosphine Ligands via Simple Desymmetrization and Their Applications in Asymmetric Suzuki-Miyaura Coupling Reaction.","Organic letters","2012","14","8","1966","1969","10.1021/ol300721p","","","0.71073","MoKα","","0.0859","0.0499","","","0.0992","0.1139","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507635","8.818","0.003","12.852","0.004","23.452","0.007","90","","96.024","0.006","90","","2643.1","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Br N O5 -","- C11 H13 Br N O5 -","- C88 H104 Br8 N8 O40 -","8","2","","Sacher, Joshua R.; Weinreb, Steven M.","Construction of the Azocane (Azacyclooctane) Moiety of the Lycopodium Alkaloid Lycopladine H via an Intramolecular Hydroaminomethylation Strategy.","Organic letters","2012","14","8","2172","2175","10.1021/ol3007277","","","0.71073","MoKα","","0.0676","0.0447","","","0.1233","0.1356","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507636","6.055","0.006","7.542","0.008","21.6","0.02","90","","95.65","0.02","90","","981.6","1.7","103","","103","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C56 H36 S4 -","2","0.5","","Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro","Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT).","Organic letters","2012","14","9","2316","2319","10.1021/ol3007327","","","0.71075","MoKα","","0.1223","0.0849","","","0.2043","0.2321","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507637","5.866","0.005","7.86","0.006","20.022","0.015","81.85","0.02","82.43","0.018","87.35","0.02","905.5","1.2","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","1","","Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro","Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT).","Organic letters","2012","14","9","2316","2319","10.1021/ol3007327","","","0.71075","MoKα","","0.1133","0.0677","","","0.1502","0.1809","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507638","7.7671","0.0009","13.4242","0.0016","19.659","0.002","90","","90","","90","","2049.8","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O4 -","- C24 H20 Br N O4 -","- C96 H80 Br4 N4 O16 -","4","1","","Suzuki, Yuta; Nemoto, Tetsuhiro; Kakugawa, Kazumi; Hamajima, Akinari; Hamada, Yasumasa","Asymmetric synthesis of chiral 9,10-dihydrophenanthrenes using pd-catalyzed asymmetric intramolecular friedel-crafts allylic alkylation of phenols.","Organic letters","2012","14","9","2350","2353","10.1021/ol300770w","","","0.71073","MoKα","","0.0538","0.033","","","0.0739","0.0984","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507639","17.7995","0.0016","5.6603","0.0005","17.0003","0.0018","90","","113.183","0.002","90","","1574.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Yan, Wuming; Ye, Xiaohan; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","1,2,3-triazole: unique ligand in promoting iron-catalyzed propargyl alcohol dehydration.","Organic letters","2012","14","9","2358","2361","10.1021/ol300778e","","","0.71073","MoKα","","0.0906","0.0493","","","0.1274","0.1507","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507640","6.3763","0.0007","10.368","0.0011","15.3069","0.0016","77.61","0.002","88.579","0.002","86.438","0.002","986.39","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 Si -","- C21 H23 N3 Si -","- C42 H46 N6 Si2 -","2","1","","Yan, Wuming; Ye, Xiaohan; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","1,2,3-triazole: unique ligand in promoting iron-catalyzed propargyl alcohol dehydration.","Organic letters","2012","14","9","2358","2361","10.1021/ol300778e","","","0.71073","MoKα","","0.0704","0.06","","","0.1691","0.1834","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507641","10.8222","0.0006","9.7805","0.0006","13.6084","0.0009","90","","90","","90","","1440.4","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C56 H48 Br8 N8 O8 -","8","1","","Zhang, Chun; Xu, Zejun; Shen, Tao; Wu, Guolin; Zhang, Liangren; Jiao, Ning","Mn-promoted Aerobic Oxidative C-C Bond Cleavage of Aldehydes with Dioxygen Activation: A Simple Synthetic Approach to Formamides.","Organic letters","2012","14","9","2362","2365","10.1021/ol300781s","","","0.71073","MoKα","","0.0346","0.0291","","","0.0783","0.0835","","","","","","1.113","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1507642","10.4392","0.0015","9.92","0.0014","12.0446","0.0017","90","","112.125","0.002","90","","1155.5","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Br N2 O5 S -","- C24 H23 Br N2 O5 S -","- C48 H46 Br2 N4 O10 S2 -","2","1","","Hou, Wenduan; Zheng, Bo; Chen, Jun; Peng, Yungui","Asymmetric synthesis of polysubstituted 4-amino- and 3,4-diaminochromanes with a chiral multifunctional organocatalyst.","Organic letters","2012","14","9","2378","2381","10.1021/ol300798t","","","0.71073","MoKα","","0.0384","0.0355","","","0.0986","0.1006","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507643","7.4256","0.001","9.7072","0.0013","10.579","0.0014","92.607","0.001","94.56","0.002","94.16","0.001","757.13","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl N4 O7 -","- C12 H15 Cl N4 O7 -","- C24 H30 Cl2 N8 O14 -","2","1","","Pan, Ende; Jamison, Matthew; Yousufuddin, Muhammed; Macmillan, John B.","Ammosamide D, an Oxidatively Ring Opened Ammosamide Analog from a Marine-Derived Streptomyces variabilis.","Organic letters","2012","14","9","2390","2393","10.1021/ol300806e","","","0.71073","MoKα","","0.0414","0.0394","","","0.1102","0.1122","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507644","8.28074","0.00015","10.78047","0.00019","41.173","0.0008","90","","90","","90","","3675.52","0.12","93.1","","93","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","1","","Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio","Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates.","Organic letters","2012","14","9","2410","2413","10.1021/ol300852v","","","1.54187","CuKα","","","0.0621","","","","0.144","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507645","8.5429","0.0003","11.8569","0.0003","18.4536","0.0005","90","","90","","90","","1869.21","0.1","93.1","","93","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","1","","Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio","Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates.","Organic letters","2012","14","9","2410","2413","10.1021/ol300852v","","","1.54187","CuKα","","","0.0352","","","","0.0845","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507646","26.5","0.03","14.575","0.018","11.213","0.014","90","","99.66","0.03","90","","4269","9","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 -","- C56 H56 -","- C224 H224 -","4","0.5","","Rose, Bradley D.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Fluoreno[4,3-c]fluorene: A Closed-Shell, Fully Conjugated Hydrocarbon.","Organic letters","2012","14","9","2426","2429","10.1021/ol300942z","","","0.71073","MoKα","","0.1696","0.0812","","","0.1665","0.2101","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507647","13.9432","0.0007","5.24461","0.00018","11.9405","0.0005","90","","105.094","0.005","90","","843.04","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O S -","- C8 H11 N O S -","- C32 H44 N4 O4 S4 -","4","1","","Keceli, Gizem; Toscano, John P.","Reactivity of nitroxyl-derived sulfinamides.","Biochemistry","2012","51","20","4206","4216","10.1021/bi300015u","","","0.71073","MoKα","","0.036","0.0311","","","0.0837","0.0866","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507648","12.7992","0.0004","13.6438","0.0003","14.6775","0.0006","90","","107.472","0.0014","90","","2444.87","0.14","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 B N6 O -","- C31 H19 B N6 O -","- C124 H76 B4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","One Well-Placed Methyl Group Increases the Solubility of Phenoxy Boronsubphthalocyanine Two Orders of Magnitude","Industrial & Engineering Chemistry Research","2012","51","18","6290","","10.1021/ie202998f","","","0.71073","MoKα","","0.1528","0.0567","","","0.129","0.1722","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507649","12.7554","0.0006","13.8025","0.0005","16.3892","0.0008","90","","91.924","0.002","90","","2883.8","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 B N6 O -","- C37 H25 B N6 O -","- C148 H100 B4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","One Well-Placed Methyl Group Increases the Solubility of Phenoxy Boronsubphthalocyanine Two Orders of Magnitude","Industrial & Engineering Chemistry Research","2012","51","18","6290","","10.1021/ie202998f","","","0.71073","MoKα","","0.1794","0.0619","","","0.1316","0.1788","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507650","8.428","0.0003","11.2988","0.0007","14.0713","0.0009","77.85","0.003","80.886","0.004","77.164","0.003","1268.42","0.12","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 B N6 O -","- C32 H21 B N6 O -","- C64 H42 B2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","One Well-Placed Methyl Group Increases the Solubility of Phenoxy Boronsubphthalocyanine Two Orders of Magnitude","Industrial & Engineering Chemistry Research","2012","51","18","6290","","10.1021/ie202998f","","","0.71073","MoKα","","0.1639","0.0598","","","0.1262","0.1677","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507651","12.3006","0.0004","13.8287","0.0007","17.4739","0.0007","90","","90.754","0.002","90","","2972.1","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 B N6 O -","- C38 H27 B N6 O -","- C152 H108 B4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","One Well-Placed Methyl Group Increases the Solubility of Phenoxy Boronsubphthalocyanine Two Orders of Magnitude","Industrial & Engineering Chemistry Research","2012","51","18","6290","","10.1021/ie202998f","","","0.71073","MoKα","","0.1557","0.0735","","","0.1759","0.2322","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507652","14.1588","0.0004","7.1036","0.0002","13.577","0.0004","90","","90","","90","","1365.55","0.07","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C40 H72 N24 O16 -","8","1","","Kang, Sung Ok; Vukovic, Sinisa; Custelcean, Radu; Hay, Benjamin P.","Cyclic Imide Dioximes: Formation and Hydrolytic Stability","Industrial & Engineering Chemistry Research","2012","51","19","6619","","10.1021/ie300492z","","","1.54178","CuKα","","0.0426","0.0402","","","0.1122","0.1135","","","","","","1.163","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507653","12.2405","0.0016","14.1448","0.0019","4.6082","0.0006","90","","90","","90","","797.86","0.18","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","0.5","","Kang, Sung Ok; Vukovic, Sinisa; Custelcean, Radu; Hay, Benjamin P.","Cyclic Imide Dioximes: Formation and Hydrolytic Stability","Industrial & Engineering Chemistry Research","2012","51","19","6619","","10.1021/ie300492z","","","0.71073","MoKα","","0.0517","0.0466","","","0.1186","0.1229","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507654","8.738","0.002","17.846","0.004","9.701","0.003","90","","114.164","0.004","90","","1380.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cl N6 O2 -","- C11 H15 Cl N6 O2 -","- C44 H60 Cl4 N24 O8 -","4","1","","Su, Wangcang; Zhou, Yihui; Ma, Yongqiang; Wang, Lei; Zhang, Zheng; Rui, Changhui; Duan, Hongxia; Qin, Zhaohai","N'-Nitro-2-hydrocarbylidenehydrazinecarboximidamides: Design, Synthesis, Crystal Structure, Insecticidal Activity, and Structure-Activity Relationships.","Journal of agricultural and food chemistry","2012","60","20","5028","5034","10.1021/jf300616x","","","0.71073","MoKα","","0.0583","0.0521","","","0.1178","0.1221","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507655","17.983","0.0019","7.4102","0.0008","19.235","0.002","90","","93.649","0.002","90","","2558","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 Fe N O Se -","- C13 H15 Fe N O Se -","- C104 H120 Fe8 N8 O8 Se8 -","8","1","","Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A","Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.","Journal of medicinal chemistry","2012","55","10","4652","4663","10.1021/jm300150t","","","0.71073","MoKα","","0.0315","0.0254","","","0.0603","0.0629","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507656","9.598","0.003","8.166","0.002","12.75","0.004","90","","103.19","0.004","90","","972.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N O Se -","- C9 H11 N O Se -","- C36 H44 N4 O4 Se4 -","4","1","","Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A","Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.","Journal of medicinal chemistry","2012","55","10","4652","4663","10.1021/jm300150t","","","0.71073","MoKα","","0.0367","0.0283","","","0.0696","0.0736","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507657","13.852","0.007","10.083","0.005","14.448","0.007","90","","90.117","0.007","90","","2017.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 O4 S4 -","- C42 H38 Cl2.272 O4 S4 -","- C84 H76 Cl4.544 O8 S8 -","2","0.5","","Shomura, Ryo; Sugiyasu, Kazunori; Yasuda, Takeshi; Sato, Akira; Takeuchi, Masayuki","Electrochemical Generation and Spectroscopic Characterization of Charge Carriers within Isolated Planar Polythiophene","Macromolecules","2012","45","9","3759","","10.1021/ma300373n","","","0.71073","MoKα","","0.1098","0.1042","","","0.281","0.2854","","","","","","1.636","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507658","11.705","0.007","17.58","0.011","10.318","0.006","90","","106.164","0.012","90","","2039","2","453","2","453","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 O8 S4 -","- C44 H42 O8 S4 -","- C88 H84 O16 S8 -","2","0.5","","Shomura, Ryo; Sugiyasu, Kazunori; Yasuda, Takeshi; Sato, Akira; Takeuchi, Masayuki","Electrochemical Generation and Spectroscopic Characterization of Charge Carriers within Isolated Planar Polythiophene","Macromolecules","2012","45","9","3759","","10.1021/ma300373n","","","0.71073","MoKα","","0.1805","0.0767","","","0.1305","0.1583","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507659","8.298","0.008","10.14","0.01","11.904","0.012","71.983","0.015","82.531","0.015","89.837","0.015","943.7","1.6","393","2","393","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 O4 S4 -","- C20 H14 O4 S4 -","- C40 H28 O8 S8 -","2","1","","Shomura, Ryo; Sugiyasu, Kazunori; Yasuda, Takeshi; Sato, Akira; Takeuchi, Masayuki","Electrochemical Generation and Spectroscopic Characterization of Charge Carriers within Isolated Planar Polythiophene","Macromolecules","2012","45","9","3759","","10.1021/ma300373n","","","0.71073","MoKα","","0.0419","0.0383","","","0.1026","0.1049","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507660","10.7706","0.001","10.9426","0.0008","11.4633","0.0007","67.709","0.006","72.198","0.007","65.797","0.008","1121.99","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O6 -","- C22 H24 Cl2 N2 O6 -","- C44 H48 Cl4 N4 O12 -","2","1","","Ma, Xiaohua; Swaidan, Raja; Belmabkhout, Youssef; Zhu, Yihan; Litwiller, Eric; Jouiad, Mustapha; Pinnau, Ingo; Han, Yu","Synthesis and Gas Transport Properties of Hydroxyl-Functionalized Polyimides with Intrinsic Microporosity","Macromolecules","2012","45","9","3841","","10.1021/ma300549m","","","0.71073","MoKα","","0.0448","0.0372","","","0.0864","0.0924","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507661","14.5059","0.0002","14.8002","0.0002","22.4594","0.0003","90","","90","","90","","4821.81","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Perhentinine dimethyl diiodide salt","","","- C45 H58 I2 N4 O5 -","- C45 H66 I1.851 N4 O9 -","- C180 H264 I7.404 N16 O36 -","4","1","","Lim, Siew-Huah; Low, Yun-Yee; Tan, Shin-Jowl; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Perhentidines a-C: macroline-macroline bisindoles from alstonia and the absolute configuration of perhentinine and macralstonine.","Journal of natural products","2012","75","5","942","950","10.1021/np300120p","","","0.71073","MoKα","","0.0695","0.0634","","","0.1921","0.1989","","","","","","1.591","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507662","30.173","0.004","6.7184","0.0006","18.895","0.002","90","","108.475","0.014","90","","3632.9","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","Macralstonine","","","- C43 H52 N4 O5 -","- C43 H52 N4 O5 -","- C172 H208 N16 O20 -","4","1","","Lim, Siew-Huah; Low, Yun-Yee; Tan, Shin-Jowl; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Perhentidines a-C: macroline-macroline bisindoles from alstonia and the absolute configuration of perhentinine and macralstonine.","Journal of natural products","2012","75","5","942","950","10.1021/np300120p","","","1.54184","CuKα","","0.0947","0.072","","","0.1869","0.2054","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507663","8.9034","0.0002","10.554","0.0002","23.8579","0.0005","90","","90","","90","","2241.84","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-ethyl 5-(4-bromophenyl)-4-((2-(t-butyl)phenyl)(hydroxy)amino) -5-oxopentanoate","","","- C23 H28 Br N O4 -","- C23 H28 Br N O4 -","- C92 H112 Br4 N4 O16 -","4","1","","Yanagisawa, Akira; Fujinami, Takeo; Oyokawa, Yu; Sugita, Takuya; Yoshida, Kazuhiro","Catalytic enantioselective N-nitroso aldol reaction of γ,δ-unsaturated δ-lactones.","Organic letters","2012","14","10","2434","2437","10.1021/ol300146k","","","1.54178","CuKα","","0.0575","0.0564","","","0.1395","0.1411","","","","","","1.087","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507664","25.018","0.005","7.1284","0.0013","30.897","0.006","90","","99.122","0.007","90","","5440.4","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2-diphenyl-6-(8-phenylnaphthalen-1-yl)-2H-chromene","2,2-diphenyl-6-(8-phenylnaphthalen-1-yl)-2H-chromene","","- C75 H53 Cl3 O2 -","- C75 H53 Cl4 O2 -","- C300 H212 Cl16 O8 -","4","0.5","","Moorthy, Jarugu Narasimha; Mandal, Susovan; Parida, Keshaba Nanda","Through-space control of the persistence of photogenerated o-quinonoid intermediates in naphthalenes containing cofacially oriented chromenes and arenes.","Organic letters","2012","14","10","2438","2441","10.1021/ol300449p","","","0.71073","MoKα","","0.0886","0.0548","","","0.1196","0.1349","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507665","16.815","0.004","10.498","0.003","15.113","0.004","90","","94.888","0.006","90","","2658.1","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6-(8-(4-methoxyphenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene","6-(8-(4-methoxyphenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene","","- C38 H28 O2 -","- C38 H28 O2 -","- C152 H112 O8 -","4","1","","Moorthy, Jarugu Narasimha; Mandal, Susovan; Parida, Keshaba Nanda","Through-space control of the persistence of photogenerated o-quinonoid intermediates in naphthalenes containing cofacially oriented chromenes and arenes.","Organic letters","2012","14","10","2438","2441","10.1021/ol300449p","","","0.71073","MoKα","","0.2566","0.1231","","","0.3103","0.3989","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507666","9.695","0.002","11.461","0.005","12.535","0.005","79.413","0.005","88.04","0.005","76.789","0.005","1332.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","6-(8-(4-cyanophenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene","6-(8-(4-cyanophenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene","","- C38 H25 N O -","- C38 H25 N O -","- C76 H50 N2 O2 -","2","1","","Moorthy, Jarugu Narasimha; Mandal, Susovan; Parida, Keshaba Nanda","Through-space control of the persistence of photogenerated o-quinonoid intermediates in naphthalenes containing cofacially oriented chromenes and arenes.","Organic letters","2012","14","10","2438","2441","10.1021/ol300449p","","","0.71069","MoKα","","0.0922","0.0615","","","0.144","0.1601","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507667","8.3956","0.0008","13.8645","0.0014","14.431","0.0015","90","","91.624","0.002","90","","1679.1","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H13 Br2 N O3 -","- C18 H13 Br2 N O3 -","- C72 H52 Br8 N4 O12 -","4","2","","Trost, Barry M.; Hirano, Keiichi","Dinuclear zinc catalyzed asymmetric spirannulation reaction: an umpolung strategy for formation of α-alkylated-α-hydroxyoxindoles.","Organic letters","2012","14","10","2446","2449","10.1021/ol300577y","","","0.71073","MoKα","","0.0414","0.0343","","","0.0745","0.0767","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507668","6.4973","0.0002","19.9091","0.0007","21.8717","0.0008","90","","91.521","0.002","90","","2828.23","0.17","163.1","","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N O2 -","- C37 H35 N O2 -","- C148 H140 N4 O8 -","4","1","","Hata, Takeshi; Imade, Haduki; Urabe, Hirokazu","Four nucleophilic additions to alkenynedioic acid derivatives in tandem; efficient one-pot synthesis of bicyclo[4.2.0]octenols.","Organic letters","2012","14","10","2450","2453","10.1021/ol300623j","","","0.7107","MoKα","","0.0842","0.0582","","","0.1478","0.1698","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507669","5.6319","0.0002","8.9756","0.0004","12.0986","0.0005","90","","103.23","0.002","90","","595.35","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.023","0.023","","","0.0627","0.0628","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507670","7.0219","0.0001","13.942","0.0002","19.6816","0.0003","90","","90","","90","","1926.82","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0239","0.0238","","","0.0643","0.0644","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507671","10.8694","0.0002","8.8068","0.0002","17.0119","0.0004","90","","90.156","0.001","90","","1628.45","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","2","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0766","0.0766","","","0.1794","0.1794","","","","","","1.147","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507672","10.5125","0.0003","8.0673","0.0002","11.2216","0.0003","90","","95.651","0.001","90","","947.05","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0385","0.0378","","","0.1036","0.1045","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507673","13.4858","0.0004","11.0668","0.0003","17.2464","0.0007","90","","123.609","0.002","90","","2143.66","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C80 H120 N8 O20 -","4","1","","Kumar, B. Senthil; Venkataramasubramanian, V.; Sudalai, Arumugam","Organocatalytic sequential α-amination/Corey-Chaykovsky reaction of aldehydes: a high yield synthesis of 4-hydroxypyrazolidine derivatives.","Organic letters","2012","14","10","2468","2471","10.1021/ol300739b","","","0.71073","MoKα","","0.0774","0.051","","","0.1156","0.135","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507674","15.513","0.003","13.049","0.002","18.801","0.003","90","","105.283","0.004","90","","3671.3","1.1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C82.45 H64.2 Cl7.74 O6.26 -","- C82.454 H64.198 Cl7.746 O6.258 -","- C164.908 H128.396 Cl15.492 O12.516 -","2","0.5","","Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation.","Organic letters","2012","14","10","2472","2475","10.1021/ol300743f","","","0.71073","MoKα","","0.1123","0.0884","","","0.2604","0.2916","","","","","","1.037","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507675","21.814","0.002","21.814","0.002","21.814","0.002","90","","90","","90","","10380.2","1.6","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C71.63 H53.5 Cl1.25 O4.38 -","- C71.641 H53.443 Cl1.239 O4.401 -","- C573.128 H427.544 Cl9.912 O35.208 -","8","0.333333","","Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation.","Organic letters","2012","14","10","2472","2475","10.1021/ol300743f","","","0.71069","MoKα","","0.1431","0.059","","","0.1575","0.1987","","","","","","0.894","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507676","14.851","0.005","16.799","0.006","17.678","0.006","68.827","0.007","84.94","0.008","80.653","0.007","4056","2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H65 Cl16 O8 -","- C86 H66 O8 -","- C172 H132 O16 -","2","1","","Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation.","Organic letters","2012","14","10","2472","2475","10.1021/ol300743f","","","0.71073","MoKα","","0.1448","0.1005","","","0.2798","0.3037","","","","","","0.966","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507677","11.7513","0.0015","29.638","0.004","15.2776","0.0019","90","","111.368","0.001","90","","4955.2","1.1","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H58 B F4 N3 O10 -","- C52 H58 B F4 N3 O10 -","- C208 H232 B4 F16 N12 O40 -","4","1","","Noujeim, Nadim; Zhu, Kelong; Vukotic, V. Nicholas; Loeb, Stephen J.","[2]Pseudorotaxanes from T-shaped benzimidazolium axles and [24]crown-8 wheels.","Organic letters","2012","14","10","2484","2487","10.1021/ol300761q","","","0.71073","MoKα","","0.0482","0.043","","","0.1119","0.1162","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507678","12.8588","0.0014","17.946","0.002","20.717","0.002","73.98","0.001","76.263","0.001","80.997","0.001","4442.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 B F4 N2 O9 -","- C45 H59 B F4 N2 O9 -","- C180 H236 B4 F16 N8 O36 -","4","2","","Noujeim, Nadim; Zhu, Kelong; Vukotic, V. Nicholas; Loeb, Stephen J.","[2]Pseudorotaxanes from T-shaped benzimidazolium axles and [24]crown-8 wheels.","Organic letters","2012","14","10","2484","2487","10.1021/ol300761q","","","0.71073","MoKα","","0.1547","0.1115","","","0.2109","0.2282","","","","","","1.277","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507679","9.3506","0.0003","10.3827","0.0004","23.164","0.0008","90","","90","","90","","2248.86","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 6-(5-bromo-1H-indol-3-yl)-5-formyl-4-(3-methoxyphenyl)-3-nitrohex-(2E)-enoate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C96 H92 Br4 N8 O24 -","4","1","","Roy, Suparna; Chen, Kwunmin","Three-component organocascade kinetic resolution of racemic nitroallylic acetates via sequential iminium/enamine asymmetric catalysis.","Organic letters","2012","14","10","2496","2499","10.1021/ol300783e","","","0.71073","MoKα","","0.0615","0.0381","","","0.0804","0.0932","","","","","","0.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507680","10.731","0.017","8.96","0.014","15.53","0.02","90","","97.637","0.016","90","","1480","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H31 Br N2 O7 -","- C31 H31 Br N2 O7 -","- C62 H62 Br2 N4 O14 -","2","1","","Yan, Wenjin; Wang, Dong; Feng, Jingchao; Li, Peng; Zhao, Depeng; Wang, Rui","Synthesis of N-alkoxycarbonyl ketimines derived from isatins and their application in enantioselective synthesis of 3-aminooxindoles.","Organic letters","2012","14","10","2512","2515","10.1021/ol3007953","","","0.71073","MoKα","","0.1532","0.058","","","0.0994","0.1316","","","","","","0.917","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507681","25.769","0.005","11.48","0.005","18.59","0.005","90","","107.214","0.005","90","","5253","3","150","","150","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 Au Cl3 N3 O4 S2 -","- C14 H21 Au Cl3 N3 O4 S2 -","- C112 H168 Au8 Cl24 N24 O32 S16 -","8","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Díez, Josefina; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Cycloisomerization versus hydration reactions in aqueous media: a Au(III)-NHC catalyst that makes the difference.","Organic letters","2012","14","10","2520","2523","10.1021/ol300811e","","","1.5418","CuKα","","0.0911","0.0824","","","0.2273","0.2386","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507682","9.717","0.0001","12.6841","0.0001","13.5632","0.0002","90","","108.02","0.001","90","","1589.68","0.03","150","2","150","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Au Cl2 N3 O3 S -","- C12 H14 Au Cl2 N3 O3 S -","- C48 H56 Au4 Cl8 N12 O12 S4 -","4","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Díez, Josefina; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Cycloisomerization versus hydration reactions in aqueous media: a Au(III)-NHC catalyst that makes the difference.","Organic letters","2012","14","10","2520","2523","10.1021/ol300811e","","","1.5418","CuKα","","0.0409","0.0396","","","0.1067","0.108","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507683","8.60756","0.00004","13.28654","0.00006","16.01937","0.00007","90","","90","","90","","1832.05","0.014","121","2","121","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Low, Darryl W.; Pattison, Graham; Wieczysty, Martin D.; Churchill, Gwydion H.; Lam, Hon Wai","Enantioselective Rh(I)-catalyzed cyclization of arylboron compounds onto ketones.","Organic letters","2012","14","10","2548","2551","10.1021/ol300845q","","","1.54184","CuKα","","0.0246","0.0245","","","0.0674","0.0674","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507684","9.0897","0.0001","11.2005","0.0001","18.5969","0.0001","90","","99.948","0.001","90","","1864.87","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","2","","Low, Darryl W.; Pattison, Graham; Wieczysty, Martin D.; Churchill, Gwydion H.; Lam, Hon Wai","Enantioselective Rh(I)-catalyzed cyclization of arylboron compounds onto ketones.","Organic letters","2012","14","10","2548","2551","10.1021/ol300845q","","","1.54178","CuKα","","0.0262","0.0259","","","0.069","0.0693","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507685","31.319","0.003","31.319","0.003","13.7184","0.0019","90","","90","","90","","13456","3","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C32 H44 B N5 O2 -","- C32 H44 B N5 O2 -","- C512 H704 B16 N80 O32 -","16","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.0858","0.053","","","0.1345","0.1502","","","","","","0.987","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507686","9.396","0.006","14.79","0.01","12.381","0.008","90","","107.935","0.014","90","","1636.9","1.9","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H46 B N5 O2 -","- C33 H46 B N5 O2 -","- C66 H92 B2 N10 O4 -","2","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.0627","0.0479","","","0.1217","0.1312","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507687","10.915","0.007","12.644","0.008","12.731","0.008","89.972","0.014","83.894","0.013","81.764","0.013","1728.8","1.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 B N5 O -","- C37 H46 B N5 O -","- C74 H92 B2 N10 O2 -","2","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.0992","0.0573","","","0.1433","0.1651","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507688","8.828","0.004","14.728","0.007","30.389","0.015","90","","96.38","0.011","90","","3927","3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 B F13 N6 -","- C34 H38 B F13 N6 -","- C136 H152 B4 F52 N24 -","4","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.111","0.0789","","","0.2264","0.2394","","","","","","1.667","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507689","15.4372","0.0006","18.7975","0.0008","21.1721","0.0008","90","","90","","90","","6143.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44 B N5 O -","- C32 H44 B N5 O -","- C256 H352 B8 N40 O8 -","8","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","1.54178","CuKα","","0.0597","0.0527","","","0.1719","0.1765","","","","","","1.822","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507690","15.9699","0.0004","13.9567","0.0004","6.9126","0.0002","90","","90","","90","","1540.73","0.07","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1S,2R,3S,5S,6S,8R-3-methyl-3-methoxycarbonyl-5-phenyl-9, 11-dioxa-4-azatricyclo[6.2.1.0^2,6^]undecan-7-one","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Sarotti, Ariel M.; Spanevello, Rolando A.; Suárez, Alejandra G; Echeverría, Gustavo A; Piro, Oscar E.","1,3-Dipolar cycloaddition reactions of azomethine ylides with a cellulose-derived chiral enone. A novel route for organocatalysts development.","Organic letters","2012","14","10","2556","2559","10.1021/ol3008588","","","1.54184","CuKα","","0.0414","0.0388","","","0.1097","0.1143","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507691","9.8047","0.0003","11.0075","0.0004","16.8098","0.0005","99.827","0.002","96.5051","0.0019","93.876","0.002","1769.06","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.94 H38.35 B Cl3.06 N3 O -","- C40.938 H38.345 B Cl3.062 N3 O -","- C81.876 H76.69 B2 Cl6.124 N6 O2 -","2","1","","Tanaka, Takayuki; Kitano, Masaaki; Hayashi, Shin-Ya; Aratani, Naoki; Osuka, Atsuhiro","Rational Synthesis of A(2)B-type meso-Triarylsubporphyrins.","Organic letters","2012","14","11","2694","2697","10.1021/ol300865s","","","1.54187","CuKα","","0.1013","0.0673","","","0.1738","0.1998","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507692","7.5185","0.0001","19.5104","0.0004","17.6082","0.0004","90","","95.3265","0.0013","90","","2571.77","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 B N3 O2 -","- C35 H26 B N3 O2 -","- C140 H104 B4 N12 O8 -","4","1","","Tanaka, Takayuki; Kitano, Masaaki; Hayashi, Shin-Ya; Aratani, Naoki; Osuka, Atsuhiro","Rational Synthesis of A(2)B-type meso-Triarylsubporphyrins.","Organic letters","2012","14","11","2694","2697","10.1021/ol300865s","","","1.54187","CuKα","","0.1484","0.095","","","0.2326","0.2843","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507693","13.4058","0.0004","13.7067","0.0004","14.2504","0.0004","90","","110.514","0.0014","90","","2452.45","0.13","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 B N3 O S -","- C32 H22 B N3 O S -","- C128 H88 B4 N12 O4 S4 -","4","1","","Tanaka, Takayuki; Kitano, Masaaki; Hayashi, Shin-Ya; Aratani, Naoki; Osuka, Atsuhiro","Rational Synthesis of A(2)B-type meso-Triarylsubporphyrins.","Organic letters","2012","14","11","2694","2697","10.1021/ol300865s","","","1.54187","CuKα","","0.1237","0.0849","","","0.24","0.2857","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507694","25.3117","0.0009","7.9007","0.0003","28.2067","0.001","90","","101.84","0.003","90","","5520.8","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 O10 S2 -","- C60 H90 O10 S2 -","- C240 H360 O40 S8 -","4","2","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","0.71072","MoKα","","0.0735","0.0576","","","0.144","0.1532","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507695","25.4161","0.0006","7.9247","0.0003","28.254","0.0008","90","","101.554","0.002","90","","5575.5","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 O10 Se2 -","- C60 H90 O10 Se2 -","- C240 H360 O40 Se8 -","4","2","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","0.71073","MoKα","","0.0556","0.0463","","","0.1112","0.116","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507696","9.2984","0.0001","9.2984","0.0001","124.047","0.001","90","","90","","120","","9288.24","0.16","130","2","130","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C76 H72 N2 O8 Se2 -","- C76 H72 N2 O8 Se2 -","- C456 H432 N12 O48 Se12 -","6","0.5","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","1.54184","CuKα","","0.0571","0.057","","","0.1267","0.1267","","","","","","1.261","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507697","9.4185","0.0002","9.4185","0.0002","62.497","0.002","90","","90","","120","","4801.2","0.2","294","2","294","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C76 H72 N2 O8 Te2 -","- C76 H72 N2 O8 Te2 -","- C228 H216 N6 O24 Te6 -","3","0.5","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","0.71073","MoKα","","0.0585","0.0535","","","0.1072","0.1094","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507698","11.4323","0.0006","14.1887","0.0008","16.0973","0.0009","90","","90","","90","","2611.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CE-OHPHENYLIMINE","","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C120 H128 N8 O24 -","4","1","","Basa, Prem N.; Bhowmick, Arundhati; Horn, Lashawn Medicine; Sykes, Andrew G.","Zinc(II) Mediated Imine-Enamine Tautomerization.","Organic letters","2012","14","11","2698","2701","10.1021/ol300874c","","","0.71073","MoKα","","0.0527","0.0424","","","0.1069","0.1132","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507699","27.921","0.004","7.0957","0.001","8.9295","0.0013","90","","108.305","0.004","90","","1679.6","0.4","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H20 Br N O2 -","- C19 H20 Br N O2 -","- C76 H80 Br4 N4 O8 -","4","1","","Xu, Qing-Long; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of tetrahydroisoquinolines via iridium-catalyzed intramolecular Friedel-Crafts-type allylic alkylation of phenols.","Organic letters","2012","14","10","2579","2581","10.1021/ol3008793","","","0.71073","MoKα","","0.0479","0.0324","","","0.0637","0.0781","","","","","","1.076","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507700","9.0786","0.0004","16.4153","0.0006","23.8705","0.0009","90","","90","","90","","3557.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 N4 O7 -","- C34 H52 N4 O7 -","- C136 H208 N16 O28 -","4","1","","Guo, Li; Zhang, Weicheng; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","New preorganized γ-amino acids as foldamer building blocks.","Organic letters","2012","14","10","2582","2585","10.1021/ol3008815","","","0.71073","MoKα","","0.0361","0.033","","","0.0893","0.0925","","","","","","0.837","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507701","15.1846","0.0003","15.1846","0.0003","46.045","0.0011","90","","90","","90","","10616.7","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C45 H70 N6 O9 -","- C45 H70 N6 O9 -","- C360 H560 N48 O72 -","8","1","","Guo, Li; Zhang, Weicheng; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","New preorganized γ-amino acids as foldamer building blocks.","Organic letters","2012","14","10","2582","2585","10.1021/ol3008815","","","1.54178","CuKα","","0.0832","0.0792","","","0.2197","0.2246","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507702","11.991","0.005","13.686","0.005","21.24","0.008","98.397","0.007","90.75","0.004","109.538","0.006","3243","2","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","N,N'-Di(p-tolyl)-bis(dithienopyrrolo)thiophene","","- C26 H18 N2 S3 -","- C26 H18 N2 S3 -","- C156 H108 N12 S18 -","6","3","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0474","0.0378","","","0.1001","0.1076","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507703","14.754","0.003","9.8396","0.0019","18.371","0.004","90","","93.811","0.003","90","","2661.1","0.9","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis(4-butylphenyl)trithienodipyrrole","","- C32 H30 N2 S3 -","- C32 H30 N2 S3 -","- C128 H120 N8 S12 -","4","2","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0513","0.0411","","","0.106","0.1226","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507704","12.389","0.005","12.657","0.005","13.997","0.006","90","","92.593","0.009","90","","2192.6","1.6","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-di(p-anisyl)bis(thienopyrrolo)thiophene","","- C26 H18 N2 O2 S3 -","- C26 H18 N2 O2 S3 -","- C104 H72 N8 O8 S12 -","4","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0396","0.0315","","","0.0855","0.09","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507705","9.282","0.005","11.353","0.005","13.67","0.007","68.877","0.015","87.03","0.02","77.71","0.02","1312.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Dioctyl-bis(dithienopyrrolo)thiophene","","- C28 H38 N2 S3 -","- C28 H38 N2 S3 -","- C56 H76 N4 S6 -","2","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0758","0.0502","","","0.1031","0.118","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507706","11.242","0.018","13.432","0.019","13.31","0.02","90","","110.2","0.03","90","","1886","5","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Dibutyl-trithienodipyrrole","","- C20 H22 N2 S3 -","- C20 H22 N2 S3 -","- C80 H88 N8 S12 -","4","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.137","0.0937","","","0.2318","0.2749","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507707","7.427","0.005","14.544","0.01","12.017","0.008","90","","97.754","0.008","90","","1286.2","1.5","100.15","","100.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-dimethyl-bis(dithienopyrrolo)thiophene","","","- C14 H10 N2 S3 -","- C14 H10 N2 S3 -","- C56 H40 N8 S12 -","4","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.1605","0.1301","","","0.3011","0.3179","","","","","","1.088","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507708","10.775","0.013","21.81","0.03","8.143","0.01","90","","108.88","0.014","90","","1811","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Xia, Xiao-Feng; Zhang, Lu-Lu; Song, Xian-Rong; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed oxidative cyclization of enynes for the synthesis of 4-carbonyl-quinolines with O2.","Organic letters","2012","14","10","2480","2483","10.1021/ol300896h","","","0.71073","MoKα","","0.1837","0.097","","","0.2126","0.2669","","","","","","1.105","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507709","12.2143","0.0019","20.809","0.003","7.8088","0.0012","90","","101.253","0.002","90","","1946.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhang, Lu-Lu; Song, Xian-Rong; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed oxidative cyclization of enynes for the synthesis of 4-carbonyl-quinolines with O2.","Organic letters","2012","14","10","2480","2483","10.1021/ol300896h","","","0.71073","MoKα","","0.0683","0.0437","","","0.0972","0.11","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507710","7.9368","0.001","31.757","0.004","9.0741","0.0011","90","","101.11","0.001","90","","2244.3","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl4 Cu2 N14 -","- C14 H14 Cl4 Cu2 N14 -","- C56 H56 Cl16 Cu8 N56 -","4","1","","Yuan, Zhao; Kuang, Gui-Chao; Clark, Ronald J.; Zhu, Lei","Chemoselective sequential ""click"" ligation using unsymmetrical bisazides.","Organic letters","2012","14","10","2590","2593","10.1021/ol300899n","","","0.71073","MoKα","","0.0318","0.0295","","","0.0679","0.0691","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507711","10.639","0.005","15.985","0.007","8.927","0.004","90","","110.069","0.005","90","","1426","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zheng, Danqing; Li, Shaoyu; Wu, Jie","An unexpected silver triflate catalyzed reaction of 2-alkynylbenzaldehyde with 2-isocyanoacetate.","Organic letters","2012","14","11","2655","2657","10.1021/ol300901x","","","0.71073","MoKα","","0.1124","0.0637","","","0.1818","0.2118","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507712","8.3985","0.0011","11.9291","0.0015","15.318","0.002","101.135","0.002","94.64","0.002","90.106","0.002","1500.6","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 N2 O S2 -","- C16 H16 N2 O S2 -","- C64 H64 N8 O4 S8 -","4","4","","Schönherr, Heike; Leighton, James L.","Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures.","Organic letters","2012","14","10","2610","2613","10.1021/ol300922b","","","0.71073","MoKα","","0.0751","0.0516","","","0.1048","0.1173","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507713","12.772","0.001","18.1424","0.0015","17.4735","0.0014","90","","90","","90","","4048.9","0.6","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H21.5 Br0.5 F2 N3 O -","- C23 H21.5 Br0.5 F2 N3 O -","- C184 H172 Br4 F16 N24 O8 -","8","1","","Schönherr, Heike; Leighton, James L.","Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures.","Organic letters","2012","14","10","2610","2613","10.1021/ol300922b","","","0.71073","MoKα","","0.0877","0.05","","","0.115","0.1332","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507714","10.8538","0.0004","8.9514","0.0004","15.9329","0.0006","90","","104.028","0.004","90","","1501.82","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Miao, Maozhong; Cao, Jian; Zhang, Jingjing; Huang, Xian; Wu, Luling","PdCl(2)-Catalyzed Oxidative Cycloisomerization of 3-Cyclopropylideneprop-2-en-1-ones.","Organic letters","2012","14","11","2718","2721","10.1021/ol300927n","","","1.54184","CuKα","","0.0642","0.0455","","","0.124","0.1361","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507715","9.0049","0.0007","9.2666","0.0008","10.8332","0.001","110.973","0.008","96.112","0.007","113.906","0.008","737.42","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Miao, Maozhong; Cao, Jian; Zhang, Jingjing; Huang, Xian; Wu, Luling","PdCl(2)-Catalyzed Oxidative Cycloisomerization of 3-Cyclopropylideneprop-2-en-1-ones.","Organic letters","2012","14","11","2718","2721","10.1021/ol300927n","","","0.71073","MoKα","","0.0679","0.0389","","","0.0945","0.1017","","","","","","0.925","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507716","8.524","0.0003","8.2187","0.0002","12.2542","0.0004","90","","108.188","0.004","90","","815.59","0.05","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N O S2 -","- C19 H15 N O S2 -","- C38 H30 N2 O2 S4 -","2","1","","Cai, Yunfei; Li, Jun; Chen, Weiliang; Xie, Mingsheng; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric sulfenylation of unprotected 3-substituted oxindoles.","Organic letters","2012","14","11","2726","2729","10.1021/ol3009446","","","0.7107","MoKα","","0.047","0.0373","","","0.0702","0.0749","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507717","8.3264","0.0004","9.6521","0.0005","15.9753","0.0009","90","","90","","90","","1283.89","0.12","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Wang, Guowei; Wang, Baomin; Qi, Shuai; Zhao, Jinfeng; Zhou, Yuhan; Qu, Jingping","Highly Enantio- and Diastereoselective Vinylogous Aldol Reaction by LiCl-Assisted BINOL-Titanium Species.","Organic letters","2012","14","11","2734","2737","10.1021/ol300946j","","","0.71073","MoKα","","0.0382","0.0293","","","0.0658","0.0684","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507718","7.384","0.0003","11.9448","0.0005","19.0988","0.0006","90","","90","","90","","1684.52","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B Br N O3 -","- C17 H19 B Br N O3 -","- C68 H76 B4 Br4 N4 O12 -","4","1","","Niu, Liting; Yang, Haijun; Wang, Ruji; Fu, Hua","Metal-free ortho C-H borylation of 2-phenoxypyridines under mild conditions.","Organic letters","2012","14","10","2618","2621","10.1021/ol300950r","","","0.71073","MoKα","","0.0287","0.0251","","","0.0508","0.0519","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507719","42.39","0.02","13.376","0.006","7.32","0.003","90","","90.696","0.012","90","","4150","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 N O6 -","- C27 H21 N O6 -","- C216 H168 N8 O48 -","8","1","","Ma, Zhi-Xiong; Feltenberger, John B.; Hsung, Richard P.","Total Syntheses of Chelidonine and Norchelidonine via an Enamide-Benzyne-[2 + 2] Cycloaddition Cascade.","Organic letters","2012","14","11","2742","2745","10.1021/ol300967a","","","0.71073","MoKα","","0.1147","0.0588","","","0.1176","0.1443","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507720","7.3309","0.0007","9.447","0.0009","11.4605","0.0011","82.166","0.001","78","0.001","82.39","0.001","764.66","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","12089a","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C38 H34 N2 O10 -","2","1","","Ma, Zhi-Xiong; Feltenberger, John B.; Hsung, Richard P.","Total Syntheses of Chelidonine and Norchelidonine via an Enamide-Benzyne-[2 + 2] Cycloaddition Cascade.","Organic letters","2012","14","11","2742","2745","10.1021/ol300967a","","","0.71073","MoKα","","0.0548","0.0418","","","0.1033","0.1121","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507721","8.3871","0.0008","12.0103","0.0012","25.88","0.003","90","","90","","90","","2606.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O -","- C17 H15 N O -","- C136 H120 N8 O8 -","8","2","","Richmond, Edward; Duguet, Nicolas; Slawin, Alexandra M. Z.; Lébl, Tomáš; Smith, Andrew D.","Asymmetric pericyclic cascade approach to spirocyclic oxindoles.","Organic letters","2012","14","11","2762","2765","10.1021/ol300982f","","","1.54178","CuKα","","0.0477","0.0414","","","0.1013","0.1081","","","","","","1.238","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507722","9.541","0.008","12.369","0.01","18.06","0.014","90","","95.405","0.017","90","","2122","3","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Alpha-gamma mixed peptide","U-dgF-U-dgF","","- C44 H58 N4 O7 -","- C44 H58 N4 O7 -","- C88 H116 N8 O14 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.1824","0.0866","","","0.1815","0.2338","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507723","19.123","0.01","20.644","0.011","20.129","0.011","90","","98.135","0.011","90","","7866","7","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Alpha-gamma mixed peptide","Boc-Aib-gPhe-Aib-gPhe-OEt","","- C76 H114 N8 O15 -","- C76 H114 N8 O15 -","- C304 H456 N32 O60 -","4","2","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.1074","0.063","","","0.1527","0.1793","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507724","10.591","0.004","9.065","0.004","21.005","0.009","90","","92.232","0.011","90","","2015.1","1.5","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Tetra peptide","Alpha gama mixed peptide","","- C38 H58 N4 O8 -","- C38 H58 N4 O8 -","- C76 H116 N8 O16 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.0974","0.0544","","","0.1318","0.1588","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507725","10.5245","0.0018","16.382","0.003","22.095","0.004","90","","90","","90","","3809.5","1.2","100","2","100","2","","","101.325","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","Alpa-gamma helix","Penta Peptide","","- C36 H52 Cl2 N5 O6 -","- C36 H52 Cl2 N5 O6 -","- C144 H208 Cl8 N20 O24 -","4","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.092","0.0511","","","0.118","0.1428","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507726","28.3019","0.0006","11.8093","0.0002","42.6587","0.0008","90","","90","","90","","14257.6","0.5","93","2","93","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C77 H86 N6 Ni O3 Si -","- C77 H87 N6 Ni O3 Si -","- C616 H696 N48 Ni8 O24 Si8 -","8","","","Anabuki, Shoma; Tokuji, Sumito; Aratani, Naoki; Osuka, Atsuhiro","Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination.","Organic letters","2012","14","11","2778","2781","10.1021/ol301005b","","","1.54187","CuKα","","0.1275","0.0877","","","0.249","0.2968","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507727","14.6275","0.0003","20.5197","0.0004","24.8238","0.0004","98.9918","0.0007","104.137","0.0007","94.1415","0.0007","7088.9","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C83.82 H87.76 Cl0.63 N7.5 Ni O0.18 -","- C83.814 H87.756 Cl0.628 N7.5 Ni O0.186 -","- C335.256 H351.024 Cl2.512 N30 Ni4 O0.744 -","4","2","","Anabuki, Shoma; Tokuji, Sumito; Aratani, Naoki; Osuka, Atsuhiro","Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination.","Organic letters","2012","14","11","2778","2781","10.1021/ol301005b","","","1.54187","CuKα","","0.0949","0.0648","","","0.1664","0.1911","","","","","","1.077","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507728","13.467","0.005","16.348","0.005","18.59","0.005","103.845","0.005","105.316","0.005","106.968","0.005","3547","2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H90 N6 Ni O -","- C87 H90 N6 Ni O -","- C174 H180 N12 Ni2 O2 -","2","1","","Anabuki, Shoma; Tokuji, Sumito; Aratani, Naoki; Osuka, Atsuhiro","Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination.","Organic letters","2012","14","11","2778","2781","10.1021/ol301005b","","","0.71069","MoKα","","0.058","0.043","","","0.1086","0.1168","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507729","10.193","0.004","19.516","0.007","15.403","0.005","90","","99.406","0.005","90","","3022.9","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N3 O3 S -","- C34 H31 N3 O3 S -","- C136 H124 N12 O12 S4 -","4","1","","Huang, Ping; Chen, Zhiyuan; Yang, Qin; Peng, Yiyuan","Silver Triflate and Palladium Acetate Co-catalyzed Reaction of N'-(2-Alkynylbenzylidene)hydrazide with N-Allyl Ynamide.","Organic letters","2012","14","11","2790","2793","10.1021/ol301023m","","","0.71073","MoKα","","0.1177","0.0877","","","0.2214","0.2586","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507730","9.873","0.004","19.441","0.008","15.21","0.006","90","","98.172","0.005","90","","2890","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N3 O2 S -","- C33 H29 N3 O2 S -","- C132 H116 N12 O8 S4 -","4","1","","Huang, Ping; Chen, Zhiyuan; Yang, Qin; Peng, Yiyuan","Silver Triflate and Palladium Acetate Co-catalyzed Reaction of N'-(2-Alkynylbenzylidene)hydrazide with N-Allyl Ynamide.","Organic letters","2012","14","11","2790","2793","10.1021/ol301023m","","","0.71073","MoKα","","0.0763","0.058","","","0.1682","0.1827","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507731","9.394","0.006","16.031","0.01","21.988","0.013","73.431","0.009","87.436","0.009","82.031","0.009","3143","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl N3 O2 S -","- C34 H26 Cl N3 O2 S -","- C136 H104 Cl4 N12 O8 S4 -","4","2","","Huang, Ping; Chen, Zhiyuan; Yang, Qin; Peng, Yiyuan","Silver Triflate and Palladium Acetate Co-catalyzed Reaction of N'-(2-Alkynylbenzylidene)hydrazide with N-Allyl Ynamide.","Organic letters","2012","14","11","2790","2793","10.1021/ol301023m","","","0.71073","MoKα","","0.1454","0.07","","","0.1727","0.1976","","","","","","0.821","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507732","9.1324","0.0011","12.9705","0.0015","15.2515","0.0018","90","","102.85","0.002","90","","1761.3","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0483","0.0398","","","0.1041","0.1095","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507733","10.132","0.0012","15.1023","0.0017","28.17","0.003","90","","90","","90","","4310.5","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H33 N3 O2 -","- C24 H33 N3 O2 -","- C192 H264 N24 O16 -","8","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0831","0.0508","","","0.1277","0.1451","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507734","7.1143","0.0018","16.557","0.004","18.936","0.005","90","","96.93","0.003","90","","2214.2","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N3 O2 -","- C24 H33 N3 O2 -","- C96 H132 N12 O8 -","4","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0896","0.0503","","","0.1147","0.1291","","","","","","0.97","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507735","32.779","0.008","8.926","0.002","15.402","0.004","90","","94.48","0.003","90","","4492.6","1.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 N2 O3 -","- C24 H36 N2 O3 -","- C192 H288 N16 O24 -","8","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0581","0.0396","","","0.1053","0.1214","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507736","10.7701","0.0004","10.5227","0.0005","14.5151","0.0006","90","","93.295","0.002","90","","1642.28","0.12","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles.","Organic letters","2012","14","11","2826","2829","10.1021/ol301044e","","","0.71073","MoKα","","0.0658","0.0517","","","0.1259","0.1348","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507737","7.5986","0.0006","10.3898","0.0007","11.2916","0.0009","102.82","0.002","98.634","0.002","97.615","0.002","846.57","0.11","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C34 H42 N2 O8 S2 -","2","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles.","Organic letters","2012","14","11","2826","2829","10.1021/ol301044e","","","0.71073","MoKα","","0.047","0.0356","","","0.1043","0.1245","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507738","10.6939","0.0007","7.748","0.0004","21.8687","0.0012","90","","103.094","0.002","90","","1764.85","0.18","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C76 H84 N4 O16 S4 -","4","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles.","Organic letters","2012","14","11","2826","2829","10.1021/ol301044e","","","0.71073","MoKα","","0.0405","0.0346","","","0.0915","0.0953","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507739","10.0332","0.0005","6.9108","0.0004","22.1287","0.0012","90","","102.252","0.003","90","","1499.4","0.14","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles.","Organic letters","2012","14","11","2826","2829","10.1021/ol301044e","","","0.71073","MoKα","","0.0663","0.0466","","","0.1226","0.139","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507740","17.4558","0.0005","4.8179","0.0001","17.8594","0.0005","90","","108.199","0.001","90","","1426.85","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Scully, Stephen S.; Porco, Jr, John A","Studies toward the synthesis of the epoxykinamycin FL-120B': discovery of a decarbonylative photocyclization.","Organic letters","2012","14","10","2646","2649","10.1021/ol3010563","","","1.54178","CuKα","","0.0356","0.0325","","","0.088","0.0914","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507741","5.7593","0.0002","8.8488","0.0003","36.9618","0.0011","90","","90","","90","","1883.68","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","11-Gorgiacerol","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Weinstabl, Harald; Gaich, Tanja; Mulzer, Johann","Application of the rodriguez-pattenden photo-ring contraction: total synthesis and configurational reassignment of 11-gorgiacerol and 11-epigorgiacerol.","Organic letters","2012","14","11","2834","2837","10.1021/ol301068h","","","0.71073","MoKα","","0.0963","0.0603","","","0.1257","0.1369","","","","","","0.979","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507742","6.4244","0.0004","10.3175","0.0006","16.0232","0.001","90","","90.012","0.003","90","","1062.08","0.11","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Furanocembranolide-1","","","- C23 H26 O7 -","- C23 H26 O7 -","- C46 H52 O14 -","2","1","","Weinstabl, Harald; Gaich, Tanja; Mulzer, Johann","Application of the rodriguez-pattenden photo-ring contraction: total synthesis and configurational reassignment of 11-gorgiacerol and 11-epigorgiacerol.","Organic letters","2012","14","11","2834","2837","10.1021/ol301068h","","","0.71073","MoKα","","0.082","0.0485","","","0.1003","0.1158","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507743","13.3427","0.0007","12.7932","0.0006","14.2313","0.0007","90","","98.272","0.004","90","","2404","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","2","","Bhakuni, Bhagat Singh; Kumar, Amit; Balkrishna, Shah Jaimin; Sheikh, Javeed Ahmed; Konar, Sanjit; Kumar, Sangit","KO(t)Bu Mediated Synthesis of Phenanthridinones and Dibenzoazepinones.","Organic letters","2012","14","11","2838","2841","10.1021/ol301077y","","","0.71073","MoKα","","0.1509","0.0616","","","0.1495","0.1994","","","","","","0.928","","","","has coordinates","288255","2023-12-12","15:40:25",""
"1507744","8.2806","0.0006","8.7559","0.0002","11.7722","0.0002","84.347","0.007","73.511","0.007","68.007","0.005","758.84","0.07","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Liu, Xiaozu; Lee, Chi-Sing","Total synthesis of (-)-teucvidin.","Organic letters","2012","14","11","2886","2889","10.1021/ol301098s","","","1.54178","CuKα","","0.0716","0.0555","","","0.1269","0.1381","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507745","10.7574","0.0003","12.2142","0.0003","15.6004","0.0004","90","","108.304","0.002","90","","1946.07","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 N2 O6 -","- C18 H30 N2 O6 -","- C72 H120 N8 O24 -","4","1","","Malinowski, Justin T.; McCarver, Stefan J.; Johnson, Jeffrey S.","Diastereocontrolled Construction of Pactamycin's Complex Ureido Triol Functional Array.","Organic letters","2012","14","11","2878","2881","10.1021/ol301140c","","","0.71073","CuKα","","0.06","0.044","","","0.1019","0.1111","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507746","10.5036","0.0004","23.9728","0.0011","12.1982","0.0007","90","","106.159","0.003","90","","2950.2","0.2","150","0.02","150","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 O4 S3 Si -","- C28 H42 O4 S3 Si -","- C112 H168 O16 S12 Si4 -","4","1","","Sikervar, Vikas; Fuchs, Philip L.","Intramolecular Methylation of an Allyl Sulfone via Lithium Alkoxyaluminate; Application to the Enantioselective Synthesis of the CD Ring of Vitamin D(3).","Organic letters","2012","14","11","2922","2924","10.1021/ol301144a","","","1.54184","CU-Kα","","0.064","0.062","","","0.173","0.176","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507747","7.5316","0.0001","31.8491","0.0006","9.4105","0.0002","90","","100.351","0.0012","90","","2220.61","0.07","150","0.02","150","0.02","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 S Si -","- C21 H32 O4 S Si -","- C84 H128 O16 S4 Si4 -","4","2","","Sikervar, Vikas; Fuchs, Philip L.","Intramolecular Methylation of an Allyl Sulfone via Lithium Alkoxyaluminate; Application to the Enantioselective Synthesis of the CD Ring of Vitamin D(3).","Organic letters","2012","14","11","2922","2924","10.1021/ol301144a","","","0.71073","MO-Kα","","0.073","0.052","","","0.124","0.134","","","","","","1.011","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1507748","5.036","0.0002","10.9704","0.0005","11.4714","0.0005","89.596","0.002","84.698","0.002","86.513","0.002","629.88","0.05","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H28 Br N O6 -","- C27 H28 Br N O6 -","- C27 H28 Br N O6 -","1","1","","Yang, Limin; Wang, Fei; Chua, Pei Juan; Lv, Yunbo; Zhong, Liang-Jun; Zhong, Guofu","N-Heterocyclic Carbene (NHC)-Catalyzed Highly Diastereo- and Enantioselective Oxo-Diels-Alder Reactions for Synthesis of Fused Pyrano[2,3-b]indoles.","Organic letters","2012","14","11","2894","2897","10.1021/ol301175z","","","0.71073","MoKα","","0.0388","0.0315","","","0.0694","0.1022","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507749","10.8231","0.0002","11.2308","0.0002","19.5924","0.0004","90","","90","","90","","2381.5","0.08","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 Si -","- C23 H34 O5 Si -","- C92 H136 O20 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0417","","","","0.1045","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507750","6.33447","0.00014","8.09469","0.00016","34.4211","0.0007","90","","90","","90","","1764.96","0.06","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 Si -","- C17 H24 O5 Si -","- C68 H96 O20 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0428","","","","0.1086","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507751","6.70836","0.00013","11.9909","0.0002","17.7089","0.0003","90","","90","","90","","1424.49","0.04","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 Si -","- C15 H20 O3 Si -","- C60 H80 O12 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0349","","","","0.0918","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507752","10.26586","0.00019","10.791","0.0002","18.0287","0.0003","77.9626","0.001","72.5847","0.0009","71.159","0.001","1789.64","0.06","93.1","","93","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 O4 P2 Pd -","- C42 H36 O4 P2 Pd -","- C84 H72 O8 P4 Pd2 -","2","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0373","","","","0.0925","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507753","13.2027","0.0003","17.3219","0.0004","7.9128","0.0002","90","","105.257","0.0015","90","","1745.85","0.07","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Synthesis of 1,2-Disubstituted Cyclopentenes by Palladium-Catalyzed Reaction of Homopropargyl-Substituted Dicarbonyl Compounds with Organic Halides via 5-Endo-Dig Cyclization.","Organic letters","2012","14","11","2914","2917","10.1021/ol301257m","","","1.54187","CuKα","","0.0563","0.0462","","","0.1068","0.1154","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507754","9.8113","0.001","10.3682","0.0012","14.2027","0.0018","90","","104.05","0.004","90","","1401.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-ethynylcoumarin","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Liu, Jiawang; Nguyen, Thong T.; Dupart, Patrick S.; Sridhar, Jayalakshmi; Zhang, Xiaoyi; Zhu, Naijue; Stevens, Cheryl L Klein; Foroozesh, Maryam","7-Ethynylcoumarins: Selective Inhibitors of Human Cytochrome P450s 1A1 and 1A2.","Chemical research in toxicology","2012","25","5","1047","1057","10.1021/tx300023p","","","0.71073","MoKα","","0.0622","0.0396","","","0.1078","0.123","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507771","4.1519","0.001","4.7055","0.001","53.555","0.004","89.473","0.015","87.617","0.005","76.329","0.005","1015.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H39 Ag O2 -","- C20 H39 Ag O2 -","- C40 H78 Ag2 O4 -","2","1","","Stephens, P W; Kaduk, J A; Blanton, T N; Whitcomb, D R; Misture, S T; Rajeswraran, M","Structure determination of the silver carboxylate dimer [Ag(O2C20H39)]2, silver arachidate, using powder X-ray diffraction methods","Powder Diffraction","2012","27","","99","103","10.1017/S0885715612000309","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507772","6.81133","0.00008","6.95839","0.00009","17.385","0.0002","87.92","0.001","89.48","0.001","62.772","0.001","732.166","0.017","288","","288","","","","","","","","","4","P -1","-P 1","2","","","","- Cr H22 Mg O15 -","- Cr H22 Mg O15 -","- Cr2 H44 Mg2 O30 -","2","1","","Fortes, A D; Wood, I G","X-ray powder diffraction analysis of a new magnesium chromate hydrate, MgCrO4.11H2O","Powder Diffraction","2012","27","","8","11","10.1017/S088571561200005X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507788","9.4898","0.0012","15.218","0.002","8.9436","0.0012","90","","90","","90","","1291.6","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Compound 3","","","- C10 H15 N3 O5 Pt -","- C10 H15 N3 O5 Pt -","- C40 H60 N12 O20 Pt4 -","4","1","","Wilson, Justin J.; Lippard, Stephen J.","In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.","Journal of medicinal chemistry","2012","55","11","5326","5336","10.1021/jm3002857","","","0.71073","MoKα","","0.0144","0.0131","","","0.0285","0.0289","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507789","18.336","0.002","7.1871","0.0009","10.8106","0.0013","90","","100.556","0.002","90","","1400.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4","","","- C10 H12 F3 N3 O5 Pt -","- C10 H12 F3 N3 O5 Pt -","- C40 H48 F12 N12 O20 Pt4 -","4","1","","Wilson, Justin J.; Lippard, Stephen J.","In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.","Journal of medicinal chemistry","2012","55","11","5326","5336","10.1021/jm3002857","","","0.71073","MoKα","","0.0278","0.0194","","","0.0367","0.0391","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507790","9.3227","0.0001","10.6215","0.0002","13.2099","0.0002","76.492","0.001","69.406","0.001","78.765","0.002","1181.44","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","1","","Zhou, Hui; Maris, Thierry; Wuest, James D.","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","The Journal of Physical Chemistry C","2012","116","24","13052","","10.1021/jp300029z","","","1.54178","CuKα","","0.0415","0.0412","","","0.106","0.1064","","","","","","1.158","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507791","9.0092","0.0002","9.5914","0.0002","10.1026","0.0001","70.319","0.002","66.113","0.001","65.792","0.001","712.59","0.02","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C34 H30 O8 -","- C34 H30 O8 -","- C34 H30 O8 -","1","0.5","","Zhou, Hui; Maris, Thierry; Wuest, James D.","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","The Journal of Physical Chemistry C","2012","116","24","13052","","10.1021/jp300029z","","","1.54178","CuKα","","0.042","0.0419","","","0.1011","0.1012","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507792","10.2725","0.0002","15.2009","0.0003","23.731","0.0004","90","","95.896","0.001","90","","3686.02","0.12","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C41 H35 Cl3 O8 -","- C41 H35 Cl3 O8 -","- C164 H140 Cl12 O32 -","4","2","","Zhou, Hui; Maris, Thierry; Wuest, James D.","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","The Journal of Physical Chemistry C","2012","116","24","13052","","10.1021/jp300029z","","","1.54178","CuKα","","0.0284","0.0282","","","0.0761","0.0763","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507793","9.0194","0.0007","10.271","0.0012","13.3188","0.0011","67.405","0.005","73.348","0.003","64.216","0.004","1015.07","0.17","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C44 H36 Cl6 O8 -","- C44 H36 Cl6 O8 -","- C44 H36 Cl6 O8 -","1","0.5","","Zhou, Hui; Maris, Thierry; Wuest, James D.","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","The Journal of Physical Chemistry C","2012","116","24","13052","","10.1021/jp300029z","","","1.54178","CuKα","","0.044","0.0415","","","0.1132","0.1155","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507794","12.2489","0.0008","9.598","0.0008","31.693","0.002","90","","96.914","0.003","90","","3698.9","0.5","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 S4 Si -","- C16 H18 S4 Si -","- C128 H144 S32 Si8 -","8","1","","Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique","Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films","The Journal of Physical Chemistry C","2012","116","22","12093","","10.1021/jp302041z","","x-ray","0.71073","MoKα","","0.1101","0.0594","","","0.1072","0.1229","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507795","7.514","0.0005","7.9218","0.0008","22.6337","0.0019","90","","93.267","0.003","90","","1345.1","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 S4 -","- C13 H10 S4 -","- C52 H40 S16 -","4","1","","Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique","Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films","The Journal of Physical Chemistry C","2012","116","22","12093","","10.1021/jp302041z","","x-ray","0.71073","MoKα","","0.0827","0.0462","","","0.0969","0.1106","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507796","20.123","0.002","20.123","0.002","20.123","0.002","90","","90","","90","","8148.5","1.4","258","2","258","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C24 H12 N12 O25 Zn6 -","- C24 H12 N12 O25 Zn6 -","- C96 H48 N48 O100 Zn24 -","4","0.166667","","Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.","Hydrogen Storage in New Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2012","116","24","13143","","10.1021/jp302356q","","","0.71073","MoKα","","0.1024","0.0841","","","0.255","0.2651","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507797","42.606","0.003","42.606","0.003","42.606","0.003","90","","90","","90","","77341","9","258","2","258","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","mof325","Cu3[(Cu3O)(PyC)3(NO3)]2.(DEF)18(NMP)3(H2O)8","","- C24 H12 Cu9 N12 O23 -","- C24 H12 Cu9 N12 O23 -","- C384 H192 Cu144 N192 O368 -","16","0.0833333","","Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.","Hydrogen Storage in New Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2012","116","24","13143","","10.1021/jp302356q","","","0.71073","MoKα","","0.1251","0.0573","","","0.1566","0.2157","","","","","","0.67","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507798","33.41","0.004","33.41","0.004","33.41","0.004","90","","90","","90","","37293","8","258","2","258","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","MOF326, SQUEEZED refinement","","","- C48 H72 B6 N12 O13 Zn4 -","- C48 H72 B6 N12 O13 Zn4 -","- C384 H576 B48 N96 O104 Zn32 -","8","0.0416667","","Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.","Hydrogen Storage in New Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2012","116","24","13143","","10.1021/jp302356q","","","0.71073","MoKα","","0.1335","0.0829","","","0.2551","0.2846","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507799","19.7213","0.0013","19.7213","0.0013","39.411","0.003","90","","90","","90","","15328.1","1.8","258","2","258","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C48 H24 O13 Zn4 -","- C48 H24 O13 Zn4 -","- C192 H96 O52 Zn16 -","4","0.25","","Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.","Hydrogen Storage in New Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2012","116","24","13143","","10.1021/jp302356q","","","0.71073","MoKα","","0.0951","0.0526","","","0.1336","0.1554","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507800","31.114","0.002","31.114","0.002","39.28","0.003","90","","90","","120","","32932","4","258","2","258","2","","","","","","","","4","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C54 H24 O13 Zn4 -","- C54 H24 O13 Zn4 -","- C648 H288 O156 Zn48 -","12","2","","Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.","Hydrogen Storage in New Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2012","116","24","13143","","10.1021/jp302356q","","","0.71073","MoKα","","0.0978","0.0782","","","0.2221","0.2338","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507801","10.4825","0.0003","12.3742","0.0004","16.3558","0.0005","83.7391","0.0018","86.7693","0.0018","68.5231","0.0016","1962.16","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H37 N2 O5 -","- C49 H37 N2 O5 -","- C98 H74 N4 O10 -","2","1","","Cheriya, Rijo T.; Joy, Jimmy; Alex, Andrews P.; Shaji, Anil; Hariharan, Mahesh","Energy Transfer in Near-Orthogonally Arranged Chromophores Separated through a Single Bond","The Journal of Physical Chemistry C","2012","116","23","12489","","10.1021/jp303406p","","","1.54178","CuKα","","0.0661","0.0549","","","0.1506","0.1571","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507802","14.3257","0.0004","14.3257","0.0004","11.4299","0.0003","90","","90","","90","","2345.71","0.11","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H37 N O5 -","- C25 H37 N O5 -","- C100 H148 N4 O20 -","4","1","","Cao, Mingming; Zhang, Yu; He, Hongping; Li, Shifei; Huang, Shengdian; Chen, Duozhi; Tang, Guihua; Li, Shunlin; Di, Yingtong; Hao, Xiaojiang","Daphmacromines A-J, Alkaloids from Daphniphyllum macropodum.","Journal of natural products","2012","75","6","1076","1082","10.1021/np200960z","","","1.54178","CuKα","","0.0384","0.0382","","","0.1038","0.104","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507803","8.8157","0.0003","10.5756","0.0003","12.1409","0.0004","70.485","0.001","73.325","0.001","86.945","0.001","1020.89","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Cl2 O6 -","- C22 H14 O6 -","- C44 H28 O12 -","2","1","","Podlesny, Erin E.; Kozlowski, Marisa C.","Structural reassignment of a marine metabolite from a binaphthalenetetrol to a tetrabrominated diphenyl ether.","Journal of natural products","2012","75","6","1125","1129","10.1021/np300141t","","","0.71073","MoKα","","0.065","0.0611","","","0.1669","0.1695","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507804","12.49951","0.00014","13.38735","0.00014","14.86156","0.00015","90","","99.9697","0.0011","90","","2449.31","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H69 N7 O10 -","- C49 H68.8 N7 O10 -","- C98 H137.6 N14 O20 -","2","1","","Chen, Ziming; Song, Yongxiang; Chen, Yuchan; Huang, Hongbo; Zhang, Weimin; Ju, Jianhua","Cyclic Heptapeptides, Cordyheptapeptides C-E, from the Marine-Derived Fungus Acremonium persicinum SCSIO 115 and Their Cytotoxic Activities.","Journal of natural products","2012","75","6","1215","1219","10.1021/np300152d","","","1.5418","CuKα","","0.0543","0.0426","","","0.1061","0.119","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507805","4.632","0.003","11.982","0.007","29.48","0.02","90","","90","","90","","1636.2","1.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Cimmino, Alessio; Andolfi, Anna; Zonno, Maria C.; Troise, Ciro; Santini, Antonello; Tuzi, Angela; Vurro, Maurizio; Ash, Gavin; Evidente, Antonio","Phomentrioloxin: A Phytotoxic Pentasubstituted Geranylcyclohexentriol Produced by Phomopsis sp., a Potential Mycoherbicide for Carthamus lanatus Biocontrol.","Journal of natural products","2012","75","6","1130","1137","10.1021/np300200j","","","0.71073","MoKα","","0.0897","0.0546","","","0.1037","0.1161","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507806","14.374","0.006","7.464","0.006","15.053","0.007","90","","116.024","0.008","90","","1451.3","1.5","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O5 -","- C32 H51 O5 -","- C64 H102 O10 -","2","1","","Xiong, Liang; Zhu, Mei; Zhu, Chenggeng; Lin, Sheng; Yang, Yongchun; Shi, Jiangong","Structure and Bioassay of Triterpenoids and Steroids Isolated from Sinocalamus affinis.","Journal of natural products","2012","75","6","1160","1166","10.1021/np300259s","","","1.54187","CuKα","","0.0555","0.0498","","","0.1312","0.1391","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507807","11.145","0.003","14.533","0.005","16.506","0.004","90","0","90","0","90","0","2673.5","1.3","295","2","295","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C136 H96 N16 O24 -","8","1","","Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong","Alkaloids from the Root of Isatis indigotica.","Journal of natural products","2012","75","6","1167","1176","10.1021/np3002833","","","1.54187","CuKα","","0.0488","0.0457","","","0.111","0.1151","","","","","","1.107","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507808","7.031","0.005","7.138","0.008","17.97","0.012","90","","90","","90","","901.9","1.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong","Alkaloids from the Root of Isatis indigotica.","Journal of natural products","2012","75","6","1167","1176","10.1021/np3002833","","","1.54178","CuKα","","0.0364","0.0346","","","0.0935","0.0991","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507809","10.6034","0.0005","6.2661","0.0003","18.0594","0.0008","90","","107.232","0.003","90","","1146.04","0.09","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O8 -","- C28 H24 O8 -","- C56 H48 O16 -","2","1","","Awale, Suresh; Ueda, Jun-Ya; Athikomkulchai, Sirivan; Abdelhamed, Sherif; Yokoyama, Satoru; Saiki, Ikuo; Miyatake, Ryuta","Antiausterity Agents from Uvaria dac and Their Preferential Cytotoxic Activity against Human Pancreatic Cancer Cell Lines in a Nutrient-Deprived Condition.","Journal of natural products","2012","75","6","1177","1183","10.1021/np300295h","","","1.54187","CuKα","","","0.0823","","","","0.2682","","","","","","1.129","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507810","15.001","0.003","13.206","0.003","15.517","0.003","90","","102.3","0.03","90","","3003.4","1.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H34 N2 -","- C38 H34 N2 -","- C152 H136 N8 -","4","2","","Periasamy, Mariappan; Sanjeevakumar, Nalluri; Dalai, Manasi; Gurubrahamam, Ramani; Reddy, Polimera Obula","Highly enantioselective synthesis of chiral allenes by sequential creation of stereogenic center and chirality transfer in a single pot operation.","Organic letters","2012","14","12","2932","2935","10.1021/ol300717e","","","0.71073","MoKα","","0.0909","0.0677","","","0.1121","0.1164","","","","","","1.223","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507811","5.884","0.001","14.26","0.003","17.526","0.003","70.967","0.002","82.158","0.002","86.783","0.002","1377","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Cl6 N4 O4 S2 -","- C54 H62 Cl6 N4 O4 S2 -","- C54 H62 Cl6 N4 O4 S2 -","1","0.5","","Chang, Jingjing; Ye, Qun; Huang, Kuo-Wei; Zhang, Jie; Chen, Zhi-Kuan; Wu, Jishan; Chi, Chunyan","Stepwise cyanation of naphthalene diimide for n-channel field-effect transistors.","Organic letters","2012","14","12","2964","2967","10.1021/ol300914k","","","0.71073","MoKα","","0.0877","0.0581","","","0.1276","0.144","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507812","8.1417","0.0017","14.59","0.003","17.092","0.004","90","","102.781","0.004","90","","1980","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","2-Formyl-3-(4-fluorophenyl)bicyclo[2.2.1]hept-5-en-2-yl carbamothioate","","","- C21 H26 F N O2 S -","- C21 H26 F N O2 S -","- C84 H104 F4 N4 O8 S4 -","4","2","","Sakakura, Akira; Yamada, Hiroki; Ishihara, Kazuaki","Enantioselective Diels-Alder reaction of α-(acylthio)acroleins: a new entry to sulfur-containing chiral quaternary carbons.","Organic letters","2012","14","12","2972","2975","10.1021/ol300921f","","","0.71073","MoKα","","0.0812","0.0711","","","0.1946","0.2071","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507813","4.7913","0.0004","9.2022","0.0008","17.0967","0.0013","102.353","0.006","95.337","0.006","95.155","0.006","728.48","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C34 H30 Cl2 O8 -","2","1","","Trosien, Simon; Waldvogel, Siegfried R.","Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5.","Organic letters","2012","14","12","2976","2979","10.1021/ol300948u","","","0.71073","MoKα","","0.0554","0.037","","","0.0913","0.1006","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507814","24.3452","0.0014","8.79","0.0004","13.733","0.0009","90","","103.263","0.005","90","","2860.4","0.3","193","2","193","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","1-methyl-2,3,7-trimethoxyphenanthren-9-10-chinon","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","","Trosien, Simon; Waldvogel, Siegfried R.","Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5.","Organic letters","2012","14","12","2976","2979","10.1021/ol300948u","","","0.71073","MoKα","","0.0623","0.0436","","","0.1108","0.1221","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507815","16.947","0.0015","3.9892","0.0002","21.7053","0.0019","90","","91.504","0.007","90","","1466.9","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 I O5 -","- C17 H13 I O5 -","- C68 H52 I4 O20 -","4","1","","Trosien, Simon; Waldvogel, Siegfried R.","Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5.","Organic letters","2012","14","12","2976","2979","10.1021/ol300948u","","","0.71073","MoKα","","0.0656","0.0426","","","0.1014","0.1128","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507816","21.578","0.006","3.9054","0.0012","13.11","0.004","90","","98.337","0.006","90","","1093.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N4 -","- C30 H20 N4 -","- C60 H40 N8 -","2","0.5","","Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava","Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells.","Organic letters","2012","14","12","2980","2983","10.1021/ol3009733","","","0.71073","MoKα","","0.1207","0.0983","","","0.1696","0.1781","","","","","","1.266","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507817","8.7014","0.0015","9.8508","0.0018","14.078","0.003","76.845","0.003","75.545","0.003","65.076","0.002","1049.3","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl6 Hg2 I4 N4 -","- C32 H22 Cl6 Hg2 I4 N4 -","- C32 H22 Cl6 Hg2 I4 N4 -","1","0.5","","Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava","Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells.","Organic letters","2012","14","12","2980","2983","10.1021/ol3009733","","","0.71073","MoKα","","0.0494","0.0475","","","0.1177","0.1189","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507818","18.516","0.002","12.5559","0.0016","15.301","0.002","90","","127.05","0.002","90","","2839.1","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Hg2 I4 N4 -","- C22 H16 Hg2 I4 N4 -","- C88 H64 Hg8 I16 N16 -","4","0.5","","Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava","Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells.","Organic letters","2012","14","12","2980","2983","10.1021/ol3009733","","","0.71073","MoKα","","0.0548","0.051","","","0.1236","0.1266","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507819","11.148","0.0001","18.6856","0.0002","26.1462","0.0003","90","","90","","90","","5446.44","0.1","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H24.5 Cl1.5 N2 O2 -","- C34.5 H24.5 Cl1.5 N2 O2 -","- C276 H196 Cl12 N16 O16 -","8","2","","Takaishi, Kazuto; Kawamoto, Masuki; Muranaka, Atsuya; Uchiyama, Masanobu","Fusion of photochromic reaction and synthetic reaction: photoassisted cyclization to highly strained chiral azobenzenophanes.","Organic letters","2012","14","13","3252","3255","10.1021/ol300992d","","","0.71073","MoKα","","0.1006","0.0713","","","0.1631","0.1797","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507820","13.447","0.003","8.1328","0.0016","6.7939","0.0014","90","","98.88","0.03","90","","734.1","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iodosodilactone","","","- C8 H3 I O4 -","- C8 H3 I O4 -","- C32 H12 I4 O16 -","4","1","","Tian, Jun; Gao, Wen-Chao; Zhou, Dong-Mei; Zhang, Chi","Recyclable hypervalent iodine(III) reagent iodosodilactone as an efficient coupling reagent for direct esterification, amidation, and peptide coupling.","Organic letters","2012","14","12","3020","3023","10.1021/ol301085v","","","0.71073","MoKα","","0.0343","0.0307","","","0.0951","0.0962","","","","","","1.096","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507821","11.9632","0.0013","9.4235","0.001","17.273","0.002","90","","97.487","0.003","90","","1930.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br Cl N O Ru -","- C19 H23 Br Cl N O Ru -","- C76 H92 Br4 Cl4 N4 O4 Ru4 -","4","1","","Chinnagolla, Ravi Kiran; Pimparkar, Sandeep; Jeganmohan, Masilamani","Ruthenium-catalyzed highly regioselective cyclization of ketoximes with alkynes by C-H bond activation: a practical route to synthesize substituted isoquinolines.","Organic letters","2012","14","12","3032","3035","10.1021/ol301091z","","","0.71073","MoKα","","0.0912","0.0611","","","0.1239","0.1336","","","","","","1.453","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507822","10.237","0.006","7.803","0.005","11.166","0.006","90","","95.959","0.011","90","","887.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C40 H48 Br2 N2 O4 -","2","1","","Cai, Quan; You, Shu-Li","Organocatalyzed enantioselective formal [4 + 2] cycloaddition of 2,3-disubstituted indole and methyl vinyl ketone.","Organic letters","2012","14","12","3040","3043","10.1021/ol301114z","","","0.71073","MoKα","","0.0403","0.0347","","","0.083","0.0856","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507823","11.315","","18.86","","20.017","","118.11","","94.13","","90","","3755.2","","95","2","95","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 S9 -","- C36 H34 S9 -","- C144 H136 S36 -","4","2","","Miyasaka, Makoto; Pink, Maren; Olankitwanit, Arnon; Rajca, Suchada; Rajca, Andrzej","Band gap of carbon-sulfur [N]helicenes.","Organic letters","2012","14","12","3076","3079","10.1021/ol3011437","","","0.43321","synchrotron","","0.1463","0.1158","","","0.3485","0.3843","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507824","9.5206","0.0004","10.0215","0.0004","10.2741","0.0004","90","","101.89","0.004","90","","959.23","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O5 S -","- C17 H25 N O5 S -","- C34 H50 N2 O10 S2 -","2","1","","Yang, Cui-Feng; Shen, Chen; Wang, Jian-Yong; Tian, Shi-Kai","A highly diastereoselective decarboxylative mannich reaction of β-keto acids with optically active N-sulfinyl α-imino esters.","Organic letters","2012","14","12","3092","3095","10.1021/ol301180z","","","0.71073","MoKα","","0.0654","0.0605","","","0.1668","0.1726","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507825","10.1645","0.0004","8.605","0.0003","11.9296","0.0005","90","","96.541","0.004","90","","1036.64","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","2","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Huang, Xiao-Jun; Bai, Liang-Liang; Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu; Wang, Yi-Tao; Zhang, Qing-Wen; Ye, Wen-Cai","Virosaines A and B, two new birdcage-shaped Securinega alkaloids with an unprecedented skeleton from Flueggea virosa.","Organic letters","2012","14","12","3096","3099","10.1021/ol301184j","","","1.54178","CuKα","","0.0377","0.033","","","0.077","0.08","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507826","10.2075","0.0013","30.954","0.004","11.965","0.0016","90","","107.043","0.002","90","","3614.5","0.8","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C69.5 H10 O3 S -","- C69.5 H9 O3 S -","- C278 H36 O12 S4 -","4","2","","Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka","FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices.","Organic letters","2012","14","13","3276","3279","10.1021/ol301186u","","","0.71073","MoKα","","0.137","0.1163","","","0.2896","0.3091","","","","","","1.015","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507827","9.898","0.0003","15.7352","0.0004","27.3241","0.0007","90","","98.3298","0.0015","90","","4210.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H14 O4 S2 -","- C77 H14 O4 S2 -","- C308 H56 O16 S8 -","4","1","","Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka","FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices.","Organic letters","2012","14","13","3276","3279","10.1021/ol301186u","","","1.54187","CuKα","","0.1457","0.0984","","","0.2266","0.2686","","","","","","1.276","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507828","16.0566","0.0003","14.0283","0.0003","18.1004","0.0004","90","","104.993","0.0011","90","","3938.26","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H18 O3 Si -","- C72 H18 O3 Si -","- C288 H72 O12 Si4 -","4","1","","Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka","FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices.","Organic letters","2012","14","13","3276","3279","10.1021/ol301186u","","","1.54187","CuKα","","0.1131","0.0786","","","0.186","0.2172","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507829","4.361","0.005","20.93","0.02","16.962","0.019","90","","95.511","0.013","90","","1541","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N O6 -","- C13 H14 Br N O6 -","- C52 H56 Br4 N4 O24 -","4","1","","Liu, Zhong-Quan; Zhao, Lixing; Shang, Xiaojie; Cui, Zili","Unexpected copper-catalyzed aerobic oxidative cleavage of C(sp3)-C(sp3) bond of glycol ethers.","Organic letters","2012","14","12","3218","3221","10.1021/ol301220s","","","0.71073","MoKα","","0.1292","0.0476","","","0.1011","0.1282","","","","","","0.947","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507830","9.3553","0.0006","9.9268","0.0006","11.9942","0.0008","86.655","0.005","81.665","0.005","77.005","0.005","1073.51","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C48 H36 Br2 N2 O6 S2 -","2","1","","Cheng, Dong; Ling, Fei; Li, Zexiang; Yao, Weijun; Ma, Cheng","Three-component assembly of conjugated enyne scaffolds via E-selective olefination of ynals.","Organic letters","2012","14","12","3146","3149","10.1021/ol3012277","","","0.71073","MoKα","","0.0627","0.0426","","","0.0944","0.1047","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507831","10.433","0.005","21.21","0.005","14.956","0.005","90","0.005","97.964","0.005","90","0.005","3278","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 N4 O5 -","- C30 H50 N4 O5 -","- C120 H200 N16 O20 -","4","1","","Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil","Reusable amine-based structural motifs for green house gas (CO2) fixation.","Organic letters","2012","14","13","3244","3247","10.1021/ol301241k","","","0.71073","MoKα","","0.2317","0.1027","","","0.3005","0.3921","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507832","10.034","0.002","13.027","0.003","14.264","0.005","116.27","0.004","104.228","0.004","97.627","0.003","1556.8","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H49 N5 O5 -","- C29 H49 N5 O5 -","- C58 H98 N10 O10 -","2","1","","Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil","Reusable amine-based structural motifs for green house gas (CO2) fixation.","Organic letters","2012","14","13","3244","3247","10.1021/ol301241k","","","0.71073","MoKα","","0.1119","0.0518","","","0.1345","0.1653","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507833","10.213","0.005","12.195","0.005","14.857","0.005","112.128","0.005","108.309","0.005","90.296","0.005","1611.2","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H50 N6 O5 -","- C31 H50 N6 O5 -","- C62 H100 N12 O10 -","2","1","","Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil","Reusable amine-based structural motifs for green house gas (CO2) fixation.","Organic letters","2012","14","13","3244","3247","10.1021/ol301241k","","","0.71073","MoKα","","0.1263","0.0695","","","0.1761","0.2285","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507834","15.8912","0.0016","8.1477","0.0006","21.033","0.002","90","","108.855","0.002","90","","2577.2","0.4","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 -","- C66 H54 -","- C132 H108 -","2","0.5","","Kayahara, Eiichi; Sakamoto, Yoichi; Suzuki, Toshiyasu; Yamago, Shigeru","Selective synthesis and crystal structure of [10]cycloparaphenylene.","Organic letters","2012","14","13","3284","3287","10.1021/ol301242t","","","0.7107","MoKα","","0.0973","0.0772","","","0.2008","0.2207","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507835","10.975","0.002","20.829","0.004","11.516","0.002","90","","97.85","0.03","90","","2607.9","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C114 H102 Br6 N12 O18 -","6","3","","Liu, Zhaoqun; Feng, Xiangqing; Du, Haifeng","Rhodium-catalyzed asymmetric formal cycloadditions of racemic butadiene monoxide with imines.","Organic letters","2012","14","12","3154","3157","10.1021/ol301248d","","","0.71073","MoKα","","0.0538","0.0472","","","0.0931","0.0967","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507836","8.046","0.001","11.013","0.002","11.157","0.002","91.39","0.003","101.802","0.006","106.531","0.004","924.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.29 H23.58 N O2 -","- C23.288 H23.576 N O2 -","- C46.576 H47.152 N2 O4 -","2","1","","He, Long; Bekkaye, Mathieu; Retailleau, Pascal; Masson, Géraldine","Chiral phosphoric acid catalyzed inverse-electron-demand aza-Diels-Alder reaction of isoeugenol derivatives.","Organic letters","2012","14","12","3158","3161","10.1021/ol301251h","","","0.7107","MoKα","","0.0983","0.0655","","","0.1765","0.1992","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507837","24.3719","0.0019","10.2345","0.0007","14.8466","0.0011","90","","99.345","0.001","90","","3654.1","0.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 F6 N3 P -","- C17 H20 F6 N3 P -","- C136 H160 F48 N24 P8 -","8","1","","Hutt, Johnathon T.; Jo, Junyong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan; Aron, Zachary D.","Fluorescence switching of imidazo[1,5-a]pyridinium ions: pH-sensors with dual emission pathways.","Organic letters","2012","14","12","3162","3165","10.1021/ol3012524","","","0.71073","MoKα","","0.0971","0.0877","","0.2454","0.2263","0.2412","","","","","","1.0111","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507838","8.2684","0.0009","15.0353","0.0015","11.4331","0.0012","90","","103.699","0.0013","90","","1380.9","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Br N3 O4 S -","- C30 H26 Br N3 O4 S -","- C60 H52 Br2 N6 O8 S2 -","2","1","","Nakamura, Shuichi; Maeno, Yuri; Ohara, Mutsuyo; Yamamura, Akiko; Funahashi, Yasuhiro; Shibata, Norio","Enantioselective synthesis of imidazolines with quaternary stereocenters by organocatalytic reaction of N-(heteroarenesulfonyl)imines with isocyanoacetates.","Organic letters","2012","14","12","2960","2963","10.1021/ol301256q","","","0.7107","MoKα","","","0.0257","","","","0.025","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507839","7.5051","0.0016","12.37","0.003","9.944","0.003","90","","99.383","0.008","90","","910.8","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H25 N2 O7 P -","- C12 H25 N2 O7 P -","- C24 H50 N4 O14 P2 -","2","1","","Tripathi, Chandra Bhushan; Kayal, Satavisha; Mukherjee, Santanu","Catalytic asymmetric synthesis of α,β-disubstituted α,γ-diaminophosphonic acid precursors by Michael addition of α-substituted nitrophosphonates to nitroolefins.","Organic letters","2012","14","13","3296","3299","10.1021/ol3012666","","","0.71073","MoKα","","0.0412","0.0372","","","0.0989","0.1023","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507840","8.5395","0.0005","7.7736","0.0005","19.64","0.0013","90","","90.848","0.006","90","","1303.61","0.14","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 I O5 -","- C12 H13 I O5 -","- C48 H52 I4 O20 -","4","1","","Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V.","Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor.","Organic letters","2012","14","12","3170","3173","10.1021/ol301268j","","","0.71075","MoKα","","0.0485","0.0448","","0.1206","0.1177","0.1206","","","","","","1.0164","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507841","9.3953","0.0005","10.2384","0.0005","10.6318","0.0007","95.355","0.007","92.172","0.007","109.933","0.008","954.58","0.11","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 O4 P -","- C23 H21 O4 P -","- C46 H42 O8 P2 -","2","1","","Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V.","Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor.","Organic letters","2012","14","12","3170","3173","10.1021/ol301268j","","","0.71075","MoKα","","0.0603","0.0519","","0.1062","0.0908","0.1062","","","","","","1.0697","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507842","5.5663","0.0003","17.8925","0.0009","16.0834","0.0011","90","","90.338","0.006","90","","1601.8","0.16","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V.","Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor.","Organic letters","2012","14","12","3170","3173","10.1021/ol301268j","","","0.71075","MoKα","","0.0535","0.0447","","0.1247","0.1209","0.1247","","","","","","0.9546","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507843","9.5624","0.001","8.3375","0.0006","10.6822","0.0011","90","","93.6","0.007","90","","849.97","0.14","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-Methyl-2-(1-benzyl-7-bromo-3-hydroxy-2-oxoindolin-3-yl)acetate","","- C18 H16 Br N O4 -","- C18 H16 Br N O4 -","- C36 H32 Br2 N2 O8 -","2","1","","Guang, Jie; Guo, Qunsheng; Zhao, John Cong-Gui","Acetylphosphonate as a surrogate of acetate or acetamide in organocatalyzed enantioselective aldol reactions.","Organic letters","2012","14","12","3174","3177","10.1021/ol301270w","","","0.71073","MoKα","","0.0245","0.0235","","","0.0583","0.0587","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507844","10.1912","0.0012","15.9298","0.0019","14.5217","0.0016","90","","92.185","0.007","90","","2355.8","0.5","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(S)-methyl-2-[(R)-3-hydroxy-2-oxo-1-tritylindolin-3-yl]propanoate","","- C31 H27 N O4 -","- C31 H27 N O4 -","- C124 H108 N4 O16 -","4","1","","Guang, Jie; Guo, Qunsheng; Zhao, John Cong-Gui","Acetylphosphonate as a surrogate of acetate or acetamide in organocatalyzed enantioselective aldol reactions.","Organic letters","2012","14","12","3174","3177","10.1021/ol301270w","","","0.71073","MoKα","","0.083","0.0543","","","0.1094","0.1197","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507845","13.467","0.007","5.711","0.003","13.534","0.007","90","","113.897","0.005","90","","951.7","0.9","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N O3 -","- C22 H20 Br N O3 -","- C44 H40 Br2 N2 O6 -","2","1","","Sakamoto, Tsubasa; Mori, Keiji; Akiyama, Takahiko","Chiral phosphoric acid catalyzed enantioselective transfer deuteration of ketimines by use of benzothiazoline as a deuterium donor: synthesis of optically active deuterated amines.","Organic letters","2012","14","13","3312","3315","10.1021/ol3012869","","","0.71073","MoKα","","0.1254","0.0827","","","0.1922","0.2236","","","","","","1.045","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1507846","28.067","0.003","10.0691","0.0008","26.044","0.004","90","","111.161","0.013","90","","6864","1.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 O16 -","- C32 H32 O16 -","- C256 H256 O128 -","8","1","","Li, Erwei; Zhang, Fan; Niu, Shubin; Liu, Xingzhong; Liu, Gang; Che, Yongsheng","A spiro[chroman-3,7'-isochromene]-4,6'(8'H)-dione from the Cordyceps-colonizing fungus Fimetariella sp.","Organic letters","2012","14","13","3320","3323","10.1021/ol3012919","","","0.71073","MoKα","","0.1174","0.0682","","","0.1431","0.1614","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507847","11.242","0.002","8.824","0.0015","13.102","0.002","90","","111.394","0.007","90","","1210.2","0.4","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.0668","0.0405","","","0.1165","0.1419","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507848","10.86","0.003","17.451","0.005","8.049","0.002","90","","90","","90","","1525.4","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 Br O4 -","- C17 H15 Br O4 -","- C68 H60 Br4 O16 -","4","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.0985","0.052","","","0.1147","0.1404","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507849","28.802","0.003","6.2913","0.0009","20.598","0.002","90","","129.118","0.005","90","","2895.8","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 O3 -","- C20 H12 O3 -","- C160 H96 O24 -","8","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.1172","0.0535","","","0.1501","0.2199","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507850","9.706","0.003","10.487","0.004","21.638","0.007","90","","90","","90","","2202.5","1.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C104 H128 O16 -","4","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.1052","0.0626","","","0.1297","0.1508","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507851","6.8449","0.0006","14.8828","0.0012","13.9266","0.0011","90","","102.129","0.002","90","","1387.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O3 -","- C18 H12 N2 O3 -","- C72 H48 N8 O12 -","4","1","","Yan, Jianwei; Cheng, Ming; Hu, Feng; Hu, Youhong","Direct synthesis of functional azaxanthones by using a domino three-component reaction.","Organic letters","2012","14","12","3206","3209","10.1021/ol3013099","","","0.71073","MoKα","","0.0609","0.0465","","","0.1146","0.126","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507852","14.1386","0.0019","6.9808","0.001","17.394","0.002","90","","101.471","0.002","90","","1682.5","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C96 H60 N4 O8 -","4","1","","Yan, Jianwei; Cheng, Ming; Hu, Feng; Hu, Youhong","Direct synthesis of functional azaxanthones by using a domino three-component reaction.","Organic letters","2012","14","12","3206","3209","10.1021/ol3013099","","","0.71073","MoKα","","0.0593","0.0545","","","0.1754","0.1794","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507853","9.376","0.006","10.638","0.003","12.234","0.003","115.738","0.006","100.251","0.008","90.978","0.008","1075.5","0.8","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 I O4 -","- C22 H27 I O4 -","- C44 H54 I2 O8 -","2","1","","Gao, Peng; Cook, Silas P.","A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins.","Organic letters","2012","14","13","3340","3343","10.1021/ol3013167","","","0.71073","MoKα","","0.0672","0.0386","","0.136","0.1064","0.136","","","","","","0.9993","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507854","22.319","0.004","22.319","0.004","8.5732","0.0013","90","","90","","90","","4270.6","1.3","150","2","150","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H20 O -","- C12 H20 O -","- C192 H320 O16 -","16","1","","Gao, Peng; Cook, Silas P.","A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins.","Organic letters","2012","14","13","3340","3343","10.1021/ol3013167","","","0.71073","MoKα","","0.0723","0.056","","","0.1222","0.132","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507855","27.8708","0.0013","27.8708","0.0013","9.5026","0.0005","90","","90","","120","","6392.5","0.5","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C270 H432 O36 -","18","1","","Gao, Peng; Cook, Silas P.","A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins.","Organic letters","2012","14","13","3340","3343","10.1021/ol3013167","","","0.71073","MoKα","","0.0683","0.0508","","","0.1361","0.1519","","","","","","1.043","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1507856","8.568","0.004","12.935","0.006","20.357","0.01","90","","100.261","0.005","90","","2220","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 S -","- C28 H23 N O2 S -","- C112 H92 N4 O8 S4 -","4","1","","Song, Xian-Rong; Xia, Xiao-Feng; Song, Qing-Bao; Yang, Fang; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed cascade reaction of hydroxy enynes for the synthesis of oxanorbornenes and naphthalene derivatives.","Organic letters","2012","14","13","3344","3347","10.1021/ol301322a","","","0.71073","MoKα","","0.071","0.0444","","","0.1085","0.124","","","","","","1.084","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507857","13.03","0.013","12.205","0.012","15.586","0.015","90","","114.153","0.011","90","","2262","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 F N O3 S -","- C26 H24 F N O3 S -","- C104 H96 F4 N4 O12 S4 -","4","1","","Song, Xian-Rong; Xia, Xiao-Feng; Song, Qing-Bao; Yang, Fang; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed cascade reaction of hydroxy enynes for the synthesis of oxanorbornenes and naphthalene derivatives.","Organic letters","2012","14","13","3344","3347","10.1021/ol301322a","","","0.71073","MoKα","","0.1715","0.0981","","","0.1591","0.1857","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507858","22.784","0.003","11.0292","0.0013","29.49","0.005","90","","104.934","0.001","90","","7160.2","1.8","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","12081s","","","- C35 H34 N2 O4 S2 -","- C35 H34 N2 O4 S2 -","- C280 H272 N16 O32 S16 -","8","1","","DeKorver, Kyle A.; Hsung, Richard P.; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C.","An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.","Organic letters","2012","14","12","3214","3217","10.1021/ol3013233","","","0.71073","MoKα","","0.0683","0.0485","","","0.1299","0.1397","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507859","8.6376","0.0016","10.4261","0.0019","11.464","0.002","83.918","0.002","83.558","0.002","84.077","0.002","1015.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","12085a","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C44 H58 N2 O6 S2 -","2","1","","DeKorver, Kyle A.; Hsung, Richard P.; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C.","An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.","Organic letters","2012","14","12","3214","3217","10.1021/ol3013233","","","0.71073","MoKα","","0.062","0.0498","","","0.1274","0.1362","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507860","9.3191","0.0019","10.877","0.002","13.873","0.003","82.233","0.002","70.521","0.002","66.598","0.002","1216.7","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","12086a","","","- C28 H33 N O3 S -","- C28 H33 N O3 S -","- C56 H66 N2 O6 S2 -","2","1","","DeKorver, Kyle A.; Hsung, Richard P.; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C.","An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.","Organic letters","2012","14","12","3214","3217","10.1021/ol3013233","","","0.71073","MoKα","","0.073","0.0475","","","0.1033","0.116","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507861","17.7388","0.0013","18.7308","0.0014","22.8807","0.0017","90","","105.898","0.002","90","","7311.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H29 B Cl6 N4 -","- C42 H29 B Cl6 N4 -","- C336 H232 B8 Cl48 N32 -","8","1","","Curiel, David; Más-Montoya, Miriam; Usea, Laura; Espinosa, Arturo; Orenes, Raúl A; Molina, Pedro","Indolocarbazole-based ligands for ladder-type four-coordinate boron complexes.","Organic letters","2012","14","13","3360","3363","10.1021/ol301339y","","","0.71073","MoKα","","0.0582","0.0529","","","0.1308","0.135","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507862","11.29","0.002","24.184","0.005","8.2547","0.0016","90","","110.166","0.003","90","","2115.7","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C108 H96 N8 O8 -","4","1","","Zhu, Yan-ping; Liu, Mei-cai; Jia, Feng-cheng; Yuan, Jing-jing; Gao, Qing-he; Lian, Mi; Wu, An-xin","Metal-free sp3 C-H bond dual-(het)arylation: I2-promoted domino process to construct 2,2-bisindolyl-1-arylethanones.","Organic letters","2012","14","13","3392","3395","10.1021/ol301366p","","","0.71073","MoKα","","0.0767","0.0582","","","0.1231","0.131","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507863","10.7869","0.001","12.4394","0.0011","14.7593","0.0014","90","","103.442","0.002","90","","1926.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Cl N2 O -","- C24 H17 Cl N2 O -","- C96 H68 Cl4 N8 O4 -","4","1","","Zhu, Yan-ping; Liu, Mei-cai; Jia, Feng-cheng; Yuan, Jing-jing; Gao, Qing-he; Lian, Mi; Wu, An-xin","Metal-free sp3 C-H bond dual-(het)arylation: I2-promoted domino process to construct 2,2-bisindolyl-1-arylethanones.","Organic letters","2012","14","13","3392","3395","10.1021/ol301366p","","","0.71073","MoKα","","0.075","0.0591","","","0.1433","0.1514","","","","","","1.109","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507864","13.3026","0.0006","19.4275","0.0009","26.7908","0.001","97.176","0.003","102.427","0.003","92.395","0.003","6691.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C144 H184 N2 O8 -","- C144 H184 N2 O8 -","- C288 H368 N4 O16 -","2","1","","Movsisyan, Levon D.; Kondratuk, Dmitry V.; Franz, Michael; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Synthesis of polyyne rotaxanes.","Organic letters","2012","14","13","3424","3426","10.1021/ol301392t","","","0.6889","synchrotron","","0.1055","0.095","","0.2666","0.2515","0.2665","","","","","","0.9986","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507865","14.013","0.011","9.655","0.008","15.244","0.012","90","","110.757","0.01","90","","1929","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Br N O -","- C25 H20 Br N O -","- C100 H80 Br4 N4 O4 -","4","1","","Xiao, Qian; Ye, Shengqing; Wu, Jie","A silver(I)-catalyzed tandem reaction of 2-alkynylbenzaldoxime with alkylidenecyclopropane.","Organic letters","2012","14","13","3430","3433","10.1021/ol301393f","","","0.71073","MoKα","","0.1034","0.0637","","","0.1438","0.1583","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507866","12.793","0.0002","9.40847","0.00017","14.6746","0.0003","90","","113.349","0.0007","90","","1621.63","0.05","140","","140","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O9 -","- C17 H22 O9 -","- C68 H88 O36 -","4","1","","Morita, Masaki; Hirai, Go; Ohkubo, Megumi; Koshino, Hiroyuki; Hashizume, Daisuke; Maruoka, Keiji; Sodeoka, Mikiko","Kinetically controlled one-pot formation of DEFGH-rings of type B physalins through domino-type transformations.","Organic letters","2012","14","13","3434","3437","10.1021/ol301394b","","","1.54187","CuKα","","0.0429","0.0376","","","0.0848","0.0862","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507867","10.1186","0.0003","12.1557","0.0003","16.747","0.0004","90","","90","","90","","2059.86","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","","Li, Li-Mei; Yang, Tai; Liu, Yang; Liu, Jin; Li, Min-Hui; Wang, Yan-Tang; Yang, Shu-Xia; Zou, Qiang; Li, Guo-You","Calophyline A, a new rearranged monoterpenoid indole alkaloid from Winchia calophylla.","Organic letters","2012","14","13","3450","3453","10.1021/ol301400e","","","0.7107","MoKα","","0.0479","0.0421","","","0.1003","0.1059","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507868","12.0999","0.0006","20.0216","0.001","16.0201","0.0008","90","","97.157","0.001","90","","3850.8","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N3 O4 -","- C17 H25 N3 O4 -","- C136 H200 N24 O32 -","8","2","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.078","0.0447","","","0.1296","0.1504","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507869","19.5529","0.0009","10.7474","0.0004","19.5495","0.001","90","","117.843","0.006","90","","3632.6","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 N2 O2 -","- C18 H27 N2 O2 -","- C144 H216 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0848","0.0549","","","0.1556","0.167","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507870","18.1522","0.0012","11.5989","0.0008","18.603","0.0013","90","","90","","90","","3916.8","0.5","297","2","297","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H28 N2 O3 -","- C18 H28 N2 O3 -","- C144 H224 N16 O24 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0794","0.0518","","","0.1474","0.1714","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507871","19.4581","0.0012","10.7052","0.0004","19.6599","0.0015","90","","118.389","0.009","90","","3602.7","0.5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 Br N2 O2 -","- C17 H25 Br N2 O2 -","- C136 H200 Br8 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0967","0.0419","","","0.0554","0.0581","","","","","","0.954","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507872","19.3915","0.001","10.4357","0.0004","19.722","0.0015","90","","118.288","0.007","90","","3514.4","0.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 F N2 O2 -","- C17 H24 F N2 O2 -","- C136 H192 F8 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0781","0.0513","","","0.1386","0.1457","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507873","32.3644","0.0012","12.234","0.0003","20.537","0.0006","90","","108.3","0.004","90","","7720.3","0.4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C272 H384 N64 O96 -","16","2","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0688","0.0374","","","0.0698","0.0728","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507874","17.7595","0.001","18.1","0.0005","12.1792","0.0004","90","","94.101","0.003","90","","3904.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","2","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.063","0.0374","","","0.0848","0.0891","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507875","19.2323","0.0008","11.2976","0.0003","19.2695","0.0009","90","","117.304","0.005","90","","3720.4","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H30 N2 O2 -","- C19 H30 N2 O2 -","- C152 H240 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0688","0.0478","","","0.1103","0.1217","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507876","19.3297","0.001","10.6105","0.0004","19.6276","0.0016","90","","118.316","0.007","90","","3543.9","0.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 F2 N2 O2 -","- C17 H24 F2 N2 O2 -","- C136 H192 F16 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0558","0.038","","","0.0871","0.0898","","","","","","1.192","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507877","10.3265","0.0005","9.9356","0.0005","19.3787","0.0008","90","","118.669","0.004","90","","1744.51","0.16","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N2 O2 -","- C17 H26 N2 O2 -","- C68 H104 N8 O8 -","4","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","1.54178","CuKα","","0.1225","0.0999","","","0.3522","0.3757","","","","","","1.463","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507878","11.4887","0.0004","9.1041","0.0003","17.7238","0.0005","90","","102.535","0.003","90","","1809.62","0.1","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 N2 O2 -","- C17 H32 N2 O2 -","- C68 H128 N8 O8 -","4","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.068","0.0399","","","0.0773","0.0808","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507879","15.2379","0.0011","14.5654","0.0011","19.8667","0.0014","90","","90","","90","","4409.3","0.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound 3","8,16,29-Trithia-1-azahexacyclo[10.10.8.1^10,14^.0^2,7^.0 ^17,22^.0^23,28^]hentriacontadodecaene","","- C27 H21 N S3 -","- C27 H21 N S3 -","- C216 H168 N8 S24 -","8","2","","Sathyamoorthi, Shyam; Mague, Joel T.; Pascal, Jr, Robert A","An in-triphenylaminophane.","Organic letters","2012","14","13","3427","3429","10.1021/ol3014073","","","0.71073","MoKα","","0.0491","0.0406","","","0.0843","0.0898","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507880","10.575","0.004","15.748","0.007","13.296","0.006","90","","99.848","0.007","90","","2181.6","1.6","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C51 H36 F6 Mn N4 Sb -","- C51 H36 F6 Mn N4 Sb -","- C102 H72 F12 Mn2 N8 Sb2 -","2","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Manganese porphyrin catalyzed cycloisomerization of enynes.","Organic letters","2012","14","12","3008","3011","10.1021/ol301416f","","","0.71073","MoKα","","0.0743","0.0622","","","0.1567","0.1678","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507881","9.7449","0.0019","19.726","0.004","8.7201","0.0017","90","","95.121","0.003","90","","1669.6","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Manganese porphyrin catalyzed cycloisomerization of enynes.","Organic letters","2012","14","12","3008","3011","10.1021/ol301416f","","","0.71073","MoKα","","0.0556","0.0476","","","0.1338","0.1411","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507882","7.704","0.002","10.658","0.004","12.436","0.004","82.415","0.01","81.991","0.011","78.422","0.009","984.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl N2 O4 S -","- C23 H17 Cl N2 O4 S -","- C46 H34 Cl2 N4 O8 S2 -","2","1","","Li, Ming; Cao, Han; Wang, Yong; Lv, Xiu-Liang; Wen, Li-Rong","One-pot multicomponent cascade reaction of N,S-ketene acetal: solvent-free synthesis of imidazo[1,2-a]thiochromeno[3,2-e]pyridines.","Organic letters","2012","14","13","3470","3473","10.1021/ol301441v","","","0.71073","MoKα","","0.0484","0.0437","","","0.104","0.1077","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507883","10.776","0.002","10.992","0.002","11.889","0.002","72.81","0.03","70.62","0.03","67.65","0.03","1205.3","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N3 O3 S2 -","- C23 H17 N3 O3 S2 -","- C46 H34 N6 O6 S4 -","2","1","","Li, Ming; Cao, Han; Wang, Yong; Lv, Xiu-Liang; Wen, Li-Rong","One-pot multicomponent cascade reaction of N,S-ketene acetal: solvent-free synthesis of imidazo[1,2-a]thiochromeno[3,2-e]pyridines.","Organic letters","2012","14","13","3470","3473","10.1021/ol301441v","","","0.71073","MoKα","","0.087","0.068","","","0.1627","0.1753","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507884","27.994","0.003","27.994","0.003","10.3401","0.0008","90","","90","","120","","7017.5","1.2","93","","93","","","","","","","","","4","P 61","P 61","169","","","","- C46 H71 N3 O7 -","- C46 H71 N3 O7 -","- C276 H426 N18 O42 -","6","1","","Tanaka, Naonobu; Suto, Shohei; Ishiyama, Haruaki; Kubota, Takaaki; Yamano, Akihito; Shiro, Motoo; Fromont, Jane; Kobayashi, Jun'ichi","Halichonadins K and L, new dimeric sesquiterpenoids from a sponge Halichondria sp.","Organic letters","2012","14","13","3498","3501","10.1021/ol3014705","","","1.54187","CuKα","","","0.0549","","","","0.111","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507885","5.8417","0.0009","20.184","0.003","15.487","0.002","90","","91.785","0.003","90","","1825.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui","Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.","Organic letters","2012","14","13","3506","3509","10.1021/ol3014733","","","0.71073","MoKα","","0.0835","0.0506","","","0.1142","0.1296","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507886","9.0407","0.0013","18.322","0.003","12.1717","0.0017","90","","92.967","0.003","90","","2013.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N O3 -","- C22 H26 N O3 -","- C88 H104 N4 O12 -","4","1","","Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui","Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.","Organic letters","2012","14","13","3506","3509","10.1021/ol3014733","","","0.71073","MoKα","","0.066","0.0456","","","0.1165","0.1294","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507887","12.321","0.004","14.075","0.005","23.143","0.008","90","","90","","90","","4013","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N2 O4 -","- C21 H25 N2 O4 -","- C168 H200 N16 O32 -","8","1","","Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui","Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.","Organic letters","2012","14","13","3506","3509","10.1021/ol3014733","","","0.71073","MoKα","","0.1055","0.0568","","","0.1313","0.1583","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507888","10.2265","0.0011","9.8801","0.001","11.1185","0.0012","90","","91.086","0.005","90","","1123.2","0.2","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O S4 -","- C22 H22 N2 O S4 -","- C44 H44 N4 O2 S8 -","2","1","","Munive, Laura; Rivas, Veronica M.; Ortiz, Aurelio; Olivo, Horacio F.","Oxazolidine-2-thiones and thiazolidine-2-thiones as nucleophiles in intermolecular Michael additions.","Organic letters","2012","14","13","3514","3517","10.1021/ol301489y","","","0.71073","MoKα","","0.0526","0.0386","","","0.0772","0.0826","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507889","13.4194","0.0012","11.6002","0.001","26.589","0.002","90","","90","","90","","4139","0.6","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H22 Br N O3 S -","- C23 H22 Br N O3 S -","- C184 H176 Br8 N8 O24 S8 -","8","1","","Yin, Qin; You, Shu-Li","Intramolecular alkene electrophilic bromination initiated ipso-bromocyclization for the synthesis of functionalized azaspirocyclohexadienones.","Organic letters","2012","14","13","3526","3529","10.1021/ol301531z","","","0.71073","MoKα","","0.0427","0.0294","","","0.0728","0.0798","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507890","27.605","0.0009","27.605","0.0009","32.428","0.0013","90","","90","","90","","24711.3","1.5","295","2","295","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- C65.5 H67.5 O12 -","- C64 H64 O12 -","- C1024 H1024 O192 -","16","0.5","","AlHujran, Tayel A.; Dawe, Louise N.; Georghiou, Paris E.","Synthesis of functionalized acenaphthenes and a new class of homooxacalixarenes.","Organic letters","2012","14","13","3530","3533","10.1021/ol301538s","","","0.71075","MoKα","","0.1274","0.0904","","","0.2149","0.2371","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507891","9.1152","0.0002","9.1152","0.0002","36.0783","0.0011","90","","90","","90","","2997.63","0.13","103","2","103","2","","","","","","","","3","P 43","P 4cw","78","","","","- C21 H13 N -","- C21 H13 N -","- C168 H104 N8 -","8","2","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.0648","0.0542","","","0.1276","0.1367","","","","","","1.121","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507892","13.0287","0.0008","11.1799","0.0007","12.7282","0.0007","90","","105.577","0.001","90","","1785.89","0.19","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.0621","0.0474","","","0.1249","0.1381","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507893","14.8671","0.0005","11.2207","0.0004","12.8259","0.0005","90","","111.942","0.002","90","","1984.62","0.13","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","1","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.0647","0.0538","","","0.127","0.1388","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507894","6.9473","0.0008","18.846","0.002","12.6117","0.0013","90","","96.521","0.003","90","","1640.6","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cu2 O10 -","- C32 H44 Cu2 O10 -","- C64 H88 Cu4 O20 -","2","0.5","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.1003","0.056","","","0.1324","0.1549","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507895","17.668","0.002","20.005","0.003","10.5382","0.0015","90","","91.205","0.002","90","","3723.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Gd2 N6 O18 -","- C28 H36 Gd2 N6 O18 -","- C112 H144 Gd8 N24 O72 -","4","1","","Liaoa, L; Ingrama, C W; Vandeveerb, D; Hardcastlec, K; Solntsevd, K M; Sabod, D; Zhangd, Z J; Webere, R T","Poly-(bis((mu4-1,4-benzenedicarboxylato)-bis(mu2-N,N-dimethylformamide)- (nitrato)-gadolinium (III))) metal organic framework: Synthesis, magnetic and luminescence properties","Inorganica Chimica Acta","2012","391","","1","9","10.1016/j.ica.2012.04.039","","","0.71073","MoKα","","0.073","0.0426","","","0.0872","0.0977","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507896","10.1677","0.0016","10.838","0.0016","12.8914","0.0019","70.843","0.002","80.001","0.002","83.833","0.001","1319.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Dy N4 O10 -","- C28 H25 Dy N4 O10 -","- C56 H50 Dy2 N8 O20 -","2","1","","Wang, Yan; Dong Yanjie; Liu, Guangxiang; Wang Suna; Chen, Youcun","A new dysprosium(III) complex based on novel pyridyl-carboxylate ligand: Hydrothermal synthesis, crystal structures and distinctive new topology","Inorganica Chimica Acta","2012","391","","10","14","10.1016/j.ica.2012.05.004","","","0.71073","MoKα","","0.0455","0.0428","","","0.1383","0.1433","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507897","11.582","0.002","13.466","0.003","24.641","0.005","90","","98.69","0.03","90","","3799","1.4","113","2","113","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C64 H82 Cl3 Gd N8 Ni2 O37 -","- C64 H72 Cl3 Gd N8 Ni2 O37 -","- C128 H144 Cl6 Gd2 N16 Ni4 O74 -","2","0.5","","Wang, D; Niu, C J; Li, X Z; Zhu, L N; Hao, P P","Syntheses, crystal structures and properties of lanthanide complexes featuring infinite molecular rectangle strands constructed from a new macrocyclic metalloligand","Inorganica Chimica Acta","2012","391","","20","27","10.1016/j.ica.2012.05.005","","","0.71073","MoKα","","0.0766","0.0586","","","0.1476","0.1578","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507898","11.587","0.002","13.463","0.003","24.707","0.005","90","","98.95","0.03","90","","3807.3","1.4","113","2","113","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C64 H82 Cl3 N8 Ni2 O37 Sm -","- C64 H76 Cl3 N8 Ni2 O37 Sm -","- C128 H152 Cl6 N16 Ni4 O74 Sm2 -","2","0.5","","Wang, D; Niu, C J; Li, X Z; Zhu, L N; Hao, P P","Syntheses, crystal structures and properties of lanthanide complexes featuring infinite molecular rectangle strands constructed from a new macrocyclic metalloligand","Inorganica Chimica Acta","2012","391","","20","27","10.1016/j.ica.2012.05.005","","","0.71073","MoKα","","0.0892","0.0604","","","0.1411","0.1595","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507899","11.569","0.002","13.459","0.003","24.824","0.005","90","","98.98","0.03","90","","3817.9","1.4","113","2","113","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C64 H82 Cl3 N8 Ni2 O37 Pr -","- C64 H76 Cl3 N8 Ni2 O37 Pr -","- C128 H152 Cl6 N16 Ni4 O74 Pr2 -","2","0.5","","Wang, D; Niu, C J; Li, X Z; Zhu, L N; Hao, P P","Syntheses, crystal structures and properties of lanthanide complexes featuring infinite molecular rectangle strands constructed from a new macrocyclic metalloligand","Inorganica Chimica Acta","2012","391","","20","27","10.1016/j.ica.2012.05.005","","","0.71073","MoKα","","0.1268","0.0753","","","0.1614","0.188","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507900","13.877","0.002","25.106","0.004","20.836","0.003","90","","109.45","","90","","6844.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H54 Cl11 Ir N6 -","- C74 H54 Cl11 Ir N6 -","- C296 H216 Cl44 Ir4 N24 -","4","1","","Xu, Qiu-Lei; Li, Hong-Yan; Wang, Cheng-Cheng; Zhang, Song; Li, Tian-Yi; Jing, Yi-Ming; Zheng, You-Xuan; Huang, Wei; Zuo, Jing-Lin; You, Xiao-Zeng","Synthesis, structure, photophysical and electrochemical properties of series of new fac-triscyclometallated iridium complexes with carbazole or oxadiazole moieties","Inorganica Chimica Acta","2012","391","","50","57","10.1016/j.ica.2012.05.010","","","0.71073","MoKα","","0.0672","0.0534","","","0.1432","0.15","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507901","14.995","0.003","23.141","0.005","22.515","0.005","90","","122.14","0.03","90","","6615","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H46 Ir N9 O4 -","- C70 H46 Ir N9 O4 -","- C280 H184 Ir4 N36 O16 -","4","1","","Xu, Qiu-Lei; Li, Hong-Yan; Wang, Cheng-Cheng; Zhang, Song; Li, Tian-Yi; Jing, Yi-Ming; Zheng, You-Xuan; Huang, Wei; Zuo, Jing-Lin; You, Xiao-Zeng","Synthesis, structure, photophysical and electrochemical properties of series of new fac-triscyclometallated iridium complexes with carbazole or oxadiazole moieties","Inorganica Chimica Acta","2012","391","","50","57","10.1016/j.ica.2012.05.010","","","0.71073","MoKα","","0.0871","0.0541","","","0.1787","0.187","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507902","13.3786","0.0014","14.2595","0.0015","19.506","0.002","76.614","0.002","78.801","0.002","62.855","0.002","3204.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H74 Cl0 Ir N9 O5 -","- C71 H74 Ir N9 O5 -","- C142 H148 Ir2 N18 O10 -","2","1","","Xu, Qiu-Lei; Li, Hong-Yan; Wang, Cheng-Cheng; Zhang, Song; Li, Tian-Yi; Jing, Yi-Ming; Zheng, You-Xuan; Huang, Wei; Zuo, Jing-Lin; You, Xiao-Zeng","Synthesis, structure, photophysical and electrochemical properties of series of new fac-triscyclometallated iridium complexes with carbazole or oxadiazole moieties","Inorganica Chimica Acta","2012","391","","50","57","10.1016/j.ica.2012.05.010","","","0.71073","MoKα","","0.1152","0.0628","","","0.1165","0.135","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507903","11.037","0.001","16.559","0.001","13.018","0.001","90","","95.524","0.005","90","","2368.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N4 O9 Zn -","- C20 H28 N4 O9 Zn -","- C80 H112 N16 O36 Zn4 -","4","1","","Zhu,; Bao-Yong'; Zhang, Xiu-Ling; Guo, Feng; Liu, Xin-Hua","Synthesis and characterization of four new coordination polymers constructed with d10 metals and mixed flexible ligands under solvothermal conditions","Inorganica Chimica Acta","2012","391","","58","65","10.1016/j.ica.2012.04.044","","","0.71073","MoKα","","0.0539","0.0431","","","0.0999","0.1044","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507904","9.367","0.001","10.25","0.001","13.849","0.002","78.883","0.001","86.361","0.002","80.004","0.002","1284.3","0.3","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N5 O7 Zn -","- C23 H28 N5 O7 Zn -","- C46 H56 N10 O14 Zn2 -","2","1","","Zhu,; Bao-Yong'; Zhang, Xiu-Ling; Guo, Feng; Liu, Xin-Hua","Synthesis and characterization of four new coordination polymers constructed with d10 metals and mixed flexible ligands under solvothermal conditions","Inorganica Chimica Acta","2012","391","","58","65","10.1016/j.ica.2012.04.044","","","0.71069","mokα","","0.0499","0.0427","","","0.1273","0.1331","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507905","10.296","0.001","15.522","0.001","15.603","0.001","90","","96.021","0.001","90","","2479.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cd N4 O9 -","- C20 H28 Cd N4 O9 -","- C80 H112 Cd4 N16 O36 -","4","0.5","","Zhu,; Bao-Yong'; Zhang, Xiu-Ling; Guo, Feng; Liu, Xin-Hua","Synthesis and characterization of four new coordination polymers constructed with d10 metals and mixed flexible ligands under solvothermal conditions","Inorganica Chimica Acta","2012","391","","58","65","10.1016/j.ica.2012.04.044","","","0.71073","MoKα","","0.024","0.0233","","","0.0659","0.0664","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507906","9.663","0.001","9.762","0.001","12.051","0.001","100.725","0.001","94.975","0.001","106.713","0.001","1057.79","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cd N4 O6 -","- C20 H22 Cd N4 O6 -","- C40 H44 Cd2 N8 O12 -","2","1","","Zhu,; Bao-Yong'; Zhang, Xiu-Ling; Guo, Feng; Liu, Xin-Hua","Synthesis and characterization of four new coordination polymers constructed with d10 metals and mixed flexible ligands under solvothermal conditions","Inorganica Chimica Acta","2012","391","","58","65","10.1016/j.ica.2012.04.044","","","0.71073","MoKα","","0.0396","0.0373","","","0.1064","0.108","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507907","17.237","0.003","11.031","0.002","12.413","0.003","90","","90","","90","","2360.2","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H24 N4 O4 Zn -","- C27 H24 N4 O4 Zn -","- C108 H96 N16 O16 Zn4 -","4","0.5","","Liu, Lu; Li, Xiaoli; Xu, Chunying; Han, Gang; Zhao, Ying; Hou, Hongwei; Fan, Yaoting","Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates","Inorganica Chimica Acta","2012","391","","66","74","10.1016/j.ica.2012.04.043","","","0.71073","MoKα","","0.0404","0.0378","","","0.0831","0.0847","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507908","11.261","0.002","16.412","0.003","14.307","0.003","90","","90","0.03","90","","2644.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Co2 N8 O11 -","- C54 H48 Co2 N8 O11 -","- C108 H96 Co4 N16 O22 -","2","0.5","","Liu, Lu; Li, Xiaoli; Xu, Chunying; Han, Gang; Zhao, Ying; Hou, Hongwei; Fan, Yaoting","Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates","Inorganica Chimica Acta","2012","391","","66","74","10.1016/j.ica.2012.04.043","","","0.71073","MoKα","","0.0481","0.0458","","","0.116","0.1175","","","","","","1.131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507909","11.491","0.002","17.454","0.004","12.621","0.003","90","","106.56","0.03","90","","2426.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N4 O4 Zn -","- C27 H24 N4 O4 Zn -","- C108 H96 N16 O16 Zn4 -","4","1","","Liu, Lu; Li, Xiaoli; Xu, Chunying; Han, Gang; Zhao, Ying; Hou, Hongwei; Fan, Yaoting","Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates","Inorganica Chimica Acta","2012","391","","66","74","10.1016/j.ica.2012.04.043","","","0.71073","MoKα","","0.0626","0.0562","","","0.1377","0.1418","","","","","","1.172","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507910","11.512","0.002","17.457","0.004","12.642","0.003","90","","106.48","0.03","90","","2436.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Co N4 O4 -","- C27 H24 Co N4 O4 -","- C108 H96 Co4 N16 O16 -","4","1","","Liu, Lu; Li, Xiaoli; Xu, Chunying; Han, Gang; Zhao, Ying; Hou, Hongwei; Fan, Yaoting","Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates","Inorganica Chimica Acta","2012","391","","66","74","10.1016/j.ica.2012.04.043","","","0.71073","MoKα","","0.0467","0.0429","","","0.1069","0.1095","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507911","10.848","0.002","11.268","0.002","11.565","0.002","65.41","0.03","83.3","0.03","67.56","0.03","1186.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 O4 Zn -","- C27 H24 N4 O4 Zn -","- C54 H48 N8 O8 Zn2 -","2","1","","Liu, Lu; Li, Xiaoli; Xu, Chunying; Han, Gang; Zhao, Ying; Hou, Hongwei; Fan, Yaoting","Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates","Inorganica Chimica Acta","2012","391","","66","74","10.1016/j.ica.2012.04.043","","","0.71073","MoKα","","0.0496","0.0431","","","0.0968","0.1013","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507912","10.863","0.002","11.288","0.002","11.561","0.002","65.19","0.03","83.34","0.03","67.74","0.03","1189.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Co N4 O4 -","- C27 H24 Co N4 O4 -","- C54 H48 Co2 N8 O8 -","2","1","","Liu, Lu; Li, Xiaoli; Xu, Chunying; Han, Gang; Zhao, Ying; Hou, Hongwei; Fan, Yaoting","Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates","Inorganica Chimica Acta","2012","391","","66","74","10.1016/j.ica.2012.04.043","","","0.71073","MoKα","","0.0331","0.0312","","","0.0811","0.0825","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507913","27.562","0.005","7.963","0.003","13.303","0.004","90","","112.298","0.004","90","","2701.4","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N6 Ni2 S4 -","- C28 H22 N6 Ni2 S4 -","- C112 H88 N24 Ni8 S16 -","4","0.5","","Panjaa, Anangamohan; Eichhorn, David M","Mono- and di-nuclear nickel(II) complexes with mixed N/S-donor ligands: Syntheses, structures and physical properties","Inorganica Chimica Acta","2012","391","","88","92","10.1016/j.ica.2012.04.042","","","0.71073","MoKα","","0.0775","0.0438","","","0.0944","0.1169","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507914","20.568","0.005","12.316","0.005","15.551","0.005","90","0.005","117.519","0.005","90","0.005","3494","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N12 Ni O6 S2 -","- C30 H24 N12 Ni O6 S2 -","- C120 H96 N48 Ni4 O24 S8 -","4","0.5","","Panjaa, Anangamohan; Eichhorn, David M","Mono- and di-nuclear nickel(II) complexes with mixed N/S-donor ligands: Syntheses, structures and physical properties","Inorganica Chimica Acta","2012","391","","88","92","10.1016/j.ica.2012.04.042","","","0.71069","MoKα","","0.0844","0.0528","","","0.1247","0.1442","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507915","13.6586","0.0004","14.2542","0.0005","17.7669","0.0007","101.268","0.002","105.102","0.002","105.219","0.002","3090.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","monoRu","","","- C49 H49 F18 N8 O4 P3 Ru -","- C49 H49 F18 N8 O4 P3 Ru -","- C98 H98 F36 N16 O8 P6 Ru2 -","2","1","","Park, Hee-Jun; Chung, Young Keun","Ru(II)-M(I) (M = Rh and Ir) bimetallic complexes based on a bridging ligand composed of 1,10-phenanthroline and N-heterocyclic carbene: Coordination chemistry and detection property of carbon monoxide","Inorganica Chimica Acta","2012","391","","105","113","10.1016/j.ica.2012.04.038","","","0.71073","Mok/a","","0.1233","0.1044","","","0.3024","0.3244","","","","","","1.329","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507916","10.5259","0.0006","18.6643","0.001","11.6372","0.0007","90","","95.763","0.001","90","","2274.7","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl2 Cu2 N6 O15 -","- C41 H46 Cl2 Cu2 N6 O15 -","- C82 H92 Cl4 Cu4 N12 O30 -","2","0.5","","Jiaa, Lei; Shib, Jie; Sunb, Zhi-hong; Lia, Fei-fei; Wanga, Yuan; Wua, Wei-na; Wang, Qin","Synthesis, crystal structure, DNA-binding properties, cytotoxic and antioxidation activities of several ternary copper(II) complexes with a new reduced Schiff base ligand","Inorganica Chimica Acta","2012","391","","121","129","10.1016/j.ica.2012.05.014","","","0.71073","MoKα","","0.0641","0.0492","","","0.1335","0.1421","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507917","7.6364","0.0005","11.9907","0.0007","16.519","0.001","68.955","0.005","80.153","0.008","84.602","0.007","1390.01","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 O9 P4 Sr -","- C26 H24 O9 P4 Sr -","- C52 H48 O18 P8 Sr2 -","2","1","","Costantino, Ferdinando; Gentili, Pier Luigi; Guerri, Annalisa; Ienco, Andrea; Midollini, Stefano; Oberhauser, Werner","Structural similarities in 1D coordination polymers of alkaline earth diphosphinates","Inorganica Chimica Acta","2012","391","","150","157","10.1016/j.ica.2012.05.024","powder diffraction","x-ray","1.5405","CuKα~1~","","","","","","","","0.06551","","2.5","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507918","7.6664","0.0005","12.1398","0.0007","16.849","0.001","68.657","0.006","80.667","0.008","84.897","0.007","1440.47","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Ba O9 P4 -","- C26 H24 Ba O9 P4 -","- C52 H48 Ba2 O18 P8 -","2","1","","Costantino, Ferdinando; Gentili, Pier Luigi; Guerri, Annalisa; Ienco, Andrea; Midollini, Stefano; Oberhauser, Werner","Structural similarities in 1D coordination polymers of alkaline earth diphosphinates","Inorganica Chimica Acta","2012","391","","150","157","10.1016/j.ica.2012.05.024","powder diffraction","x-ray","1.5405","CuKα~1~","","","","","","","","0.13539","","2.06","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507919","29.954","0.006","5.3757","0.0005","21.025","0.004","90","","127.19","0.03","90","","2697","1.3","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Mg O8 P4 -","- C26 H26 Mg O8 P4 -","- C104 H104 Mg4 O32 P16 -","4","0.5","","Costantino, Ferdinando; Gentili, Pier Luigi; Guerri, Annalisa; Ienco, Andrea; Midollini, Stefano; Oberhauser, Werner","Structural similarities in 1D coordination polymers of alkaline earth diphosphinates","Inorganica Chimica Acta","2012","391","","150","157","10.1016/j.ica.2012.05.024","","x-ray","0.71069","MoKα","","0.0685","0.0389","","","0.0815","0.0869","","","","","","0.897","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507920","11.729","0.006","17.716","0.009","20.36","0.01","69.109","0.006","89.186","0.006","89.739","0.007","3952","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H106 N12 O36 Pr2 -","- C108 H106 N12 O36 Pr2 -","- C108 H106 N12 O36 Pr2 -","1","0.5","","Songa, Xue-Qin; Wanga, Li; Zhenga, Qing-Fang; Liu, Wei-Sheng","Synthesis, crystal structure and luminescence properties of lanthanide complexes with a new semirigid bridging furfurylsalicylamide ligand","Inorganica Chimica Acta","2012","391","","171","178","10.1016/j.ica.2012.04.007","","","0.71073","MoKα","","0.1405","0.0751","","","0.158","0.1685","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507921","11.832","0.002","17.749","0.003","15.827","0.003","90","","104.951","0.002","90","","3211.2","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30.5 Eu N6.5 O13 -","- C22 H30.5 Eu N6.5 O13 -","- C88 H122 Eu4 N26 O52 -","4","1","","Guo, Yuan-Yuan; Lu, Zheng-Dan; Tang, Xiao-Liang; Dou, Wei; Qin, Wen-Wu; Wu, Jiang; Yang, Li-Zi; Zhang, Guo-Lin; Liu, Wei-Sheng; Ru, Jia-Xi","Synthesis, crystal structures and luminescence properties of lanthanide complexes with a tridentate salicylamide-type ligand","Inorganica Chimica Acta","2012","391","","182","188","10.1016/j.ica.2012.05.009","","","0.71073","MoKα","","0.0829","0.0517","","","0.1322","0.1762","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507922","11.77","0.007","17.687","0.011","15.781","0.01","90","","105.003","0.008","90","","3173","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Gd N7 O13 -","- C23 H32 Gd N7 O13 -","- C92 H128 Gd4 N28 O52 -","4","1","","Guo, Yuan-Yuan; Lu, Zheng-Dan; Tang, Xiao-Liang; Dou, Wei; Qin, Wen-Wu; Wu, Jiang; Yang, Li-Zi; Zhang, Guo-Lin; Liu, Wei-Sheng; Ru, Jia-Xi","Synthesis, crystal structures and luminescence properties of lanthanide complexes with a tridentate salicylamide-type ligand","Inorganica Chimica Acta","2012","391","","182","188","10.1016/j.ica.2012.05.009","","","0.71073","MoKα","","0.1103","0.0501","","","0.1069","0.1483","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507923","11.8491","0.0003","17.813","0.0005","15.8684","0.0004","90","","104.718","0.001","90","","3239.41","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N7 Nd O13 -","- C23 H32 N7 Nd O13 -","- C92 H128 N28 Nd4 O52 -","4","1","","Guo, Yuan-Yuan; Lu, Zheng-Dan; Tang, Xiao-Liang; Dou, Wei; Qin, Wen-Wu; Wu, Jiang; Yang, Li-Zi; Zhang, Guo-Lin; Liu, Wei-Sheng; Ru, Jia-Xi","Synthesis, crystal structures and luminescence properties of lanthanide complexes with a tridentate salicylamide-type ligand","Inorganica Chimica Acta","2012","391","","182","188","10.1016/j.ica.2012.05.009","","","0.71073","MoKα","","0.0837","0.046","","","0.0675","0.0767","","","","","","1.176","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507924","10.329","0.0007","14.725","0.0009","26.376","0.001","90","","90","","90","","4011.6","0.4","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H20 O6 -","- C25 H20 O6 -","- C200 H160 O48 -","8","1","","Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius","Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity","Inorganica Chimica Acta","2012","391","","189","194","10.1016/j.ica.2012.04.019","","","0.7107","MoKα","","0.1096","0.066","","","0.1167","0.1343","","","","","","1.103","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507925","4.8","0.0002","23.571","0.002","18.571","0.002","90","","101.927","0.005","90","","2055.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br2 O2 -","- C25 H20 Br2 O2 -","- C100 H80 Br8 O8 -","4","1","","Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius","Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity","Inorganica Chimica Acta","2012","391","","189","194","10.1016/j.ica.2012.04.019","","","0.71073","MoKα","","0.0978","0.0613","","","0.0966","0.1102","","","","","","1.097","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507926","18.3967","0.0001","13.868","0.0001","26.5326","0.0002","90","","98.194","0.0004","90","","6700.04","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 Cu2 F12 N6 O19 S4 -","- C56 H56 Cu2 F12 N6 O19 S4 -","- C224 H224 Cu8 F48 N24 O76 S16 -","4","1","","Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius","Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity","Inorganica Chimica Acta","2012","391","","189","194","10.1016/j.ica.2012.04.019","","","0.71073","MoKα","","0.0782","0.0648","","","0.1712","0.1815","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507927","11.069","0.0006","8.641","0.007","16.481","0.001","90","","108.812","0.002","90","","1492.2","1.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H24 Cu F6 N4 O7 S2 -","- C23 H22 Cu F6 N4 O7 S2 -","- C46 H44 Cu2 F12 N8 O14 S4 -","2","1","","Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius","Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity","Inorganica Chimica Acta","2012","391","","189","194","10.1016/j.ica.2012.04.019","","","0.71073","MoKα","","0.0454","0.0391","","","0.0884","0.093","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508038","12.5371","0.001","5.7555","0.0004","13.6054","0.001","90","","98.698","0.004","90","","970.44","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Fe N2 O5 -","- C20 H26 Fe N2 O5 -","- C40 H52 Fe2 N4 O10 -","2","1","","Shipmana, Patrick O; Lafrenierea, Matthew A; Colquhouna, Craig D S; Kraatz, Heinz-Bernhard","Synthesis of a series of 1,n'-disubstituted ferrocene derivatives containing disulfides","Inorganica Chimica Acta","2012","391","","195","200","10.1016/j.ica.2012.05.013","","","0.71073","MoKα","","0.0489","0.0391","","","0.0844","0.0887","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508075","13.789","0.007","13.789","0.007","17.998","0.012","90","","90","","120","","2964","3","298","2","298","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C39 H43 Cu6 F9 N24 O11 S3 -","- C39 H43 Cu6 F9 N24 O11 S3 -","- C78 H86 Cu12 F18 N48 O22 S6 -","2","0.166667","","Mathivathanan, Logesh; Rivera-Carrillo, Marlyn; Raptis, Raphael G","Three new multinuclear motifs in Cu(II)-pyrazolate chemistry","Inorganica Chimica Acta","2012","391","","201","205","10.1016/j.ica.2012.05.027","","","0.71073","MoKα","","0.1489","0.0603","","","0.0898","0.1097","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508077","14.402","0.002","18.496","0.002","18.766","0.003","106.245","0.003","106.116","0.003","105.183","0.003","4286.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H92 Cu8 N20 O10 -","- C70 H92 Cu8 N20 O10 -","- C140 H184 Cu16 N40 O20 -","2","1","","Mathivathanan, Logesh; Rivera-Carrillo, Marlyn; Raptis, Raphael G","Three new multinuclear motifs in Cu(II)-pyrazolate chemistry","Inorganica Chimica Acta","2012","391","","201","205","10.1016/j.ica.2012.05.027","","","0.71073","MoKα","","0.2166","0.1194","","","0.2687","0.3146","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508079","25.921","0.005","18.758","0.004","15.948","0.003","90","","103.004","0.004","90","","7555","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H61 Cu12 N34 O10 -","- C52 H59.5 Cu12 N34 O10 -","- C208 H238 Cu48 N136 O40 -","4","0.5","","Mathivathanan, Logesh; Rivera-Carrillo, Marlyn; Raptis, Raphael G","Three new multinuclear motifs in Cu(II)-pyrazolate chemistry","Inorganica Chimica Acta","2012","391","","201","205","10.1016/j.ica.2012.05.027","","","0.71073","MoKα","","0.2044","0.0841","","","0.2103","0.2508","","","","","","0.951","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508116","15.885","0.009","14.251","0.007","12.884","0.007","90","","90.076","0.01","90","","2917","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N10 O18 Sm2 -","- C24 H8 N10 O18 Sm2 -","- C96 H32 N40 O72 Sm8 -","4","1","","Yanga, Kun; Luoc, Jun-Hua; Liu, Zhi-Hong","Synthesis, structures and luminescent property of two lanthanon complexes assembled from 2,3-pyrazinedicarboxylic acid and ammonia","Inorganica Chimica Acta","2012","391","","206","209","10.1016/j.ica.2012.04.040","","","0.71073","MoKα","","0.0679","0.0544","","","0.1264","0.1364","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508118","14.177","0.006","15.763","0.006","12.768","0.005","90","","95.634","0.008","90","","2840","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N10 O18 Y2 -","- C24 H8 N10 O18 Y2 -","- C96 H32 N40 O72 Y8 -","4","1","","Yanga, Kun; Luoc, Jun-Hua; Liu, Zhi-Hong","Synthesis, structures and luminescent property of two lanthanon complexes assembled from 2,3-pyrazinedicarboxylic acid and ammonia","Inorganica Chimica Acta","2012","391","","206","209","10.1016/j.ica.2012.04.040","","","0.71073","MoKα","","0.0811","0.0533","","","0.1143","0.1291","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508135","16.4336","0.001","7.2801","0.0004","14.1685","0.0009","90","","108.934","0.001","90","","1603.38","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O4 Pb -","- C20 H12 N2 O4 Pb -","- C80 H48 N8 O16 Pb4 -","4","1","","Morsalia, Ali; Panjehpour, Akram","Ultrasonic-assisted synthesis of nano-structured lead(II) coordination polymers as precursors for preparation of lead(II) oxide nanoparticles","Inorganica Chimica Acta","2012","391","","210","217","10.1016/j.ica.2012.04.024","","","0.71073","MoKα","","0.0331","0.0262","","","0.0526","0.0549","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508137","8.1006","0.0004","10.2621","0.0006","16.579","0.0009","72.921","0.001","88.286","0.001","72.945","0.001","1257.1","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N8 O9 Pb2 -","- C21 H16 N8 O9 Pb2 -","- C42 H32 N16 O18 Pb4 -","2","1","","Morsalia, Ali; Panjehpour, Akram","Ultrasonic-assisted synthesis of nano-structured lead(II) coordination polymers as precursors for preparation of lead(II) oxide nanoparticles","Inorganica Chimica Acta","2012","391","","210","217","10.1016/j.ica.2012.04.024","","","0.71073","MoKα","","0.037","0.0272","","","0.0584","0.0616","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508156","25.113","0.002","12.7316","0.0012","22.36","0.002","90","","115.173","0.001","90","","6470.2","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H146 Dy2 N10 O92 P2 W22 -","- C44 H126 Dy2 N10 O92 P2 W22 -","- C88 H252 Dy4 N20 O184 P4 W44 -","2","0.5","","Zhang, Dongdi; Zhang, Chao; Chen, Huanni; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Syntheses, structures and properties of dimeric rare earth derivatives based on monovacant Keggin-type polyoxotungstates","Inorganica Chimica Acta","2012","391","","218","223","10.1016/j.ica.2012.04.030","","","0.71073","MoKα","","0.0669","0.0461","","","0.103","0.1112","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508158","25.03","0.002","12.7022","0.001","22.3103","0.0018","90","","115.156","0.001","90","","6420.5","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H146 N10 O92 P2 W22 Y2 -","- C44 H126 N10 O92 P2 W22 Y2 -","- C88 H252 N20 O184 P4 W44 Y4 -","2","0.5","","Zhang, Dongdi; Zhang, Chao; Chen, Huanni; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Syntheses, structures and properties of dimeric rare earth derivatives based on monovacant Keggin-type polyoxotungstates","Inorganica Chimica Acta","2012","391","","218","223","10.1016/j.ica.2012.04.030","","","0.71073","MoKα","","0.0713","0.0414","","","0.0978","0.1091","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508160","24.9391","0.0017","12.7559","0.0009","22.3042","0.0015","90","","114.708","0.001","90","","6445.8","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H146 Lu2 N10 O92 P2 W22 -","- C44 H126 Lu2 N10 O91 P2 W22 -","- C88 H252 Lu4 N20 O182 P4 W44 -","2","0.5","","Zhang, Dongdi; Zhang, Chao; Chen, Huanni; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Syntheses, structures and properties of dimeric rare earth derivatives based on monovacant Keggin-type polyoxotungstates","Inorganica Chimica Acta","2012","391","","218","223","10.1016/j.ica.2012.04.030","","","0.71073","MoKα","","0.061","0.0376","","","0.0969","0.1059","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508161","30.1474","0.0007","17.703","0.0005","19.9701","0.0003","90","","92.278","0.002","90","","10649.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","citrate tungsten complex","","","- C66 H108 N22 O67 W6 -","- C66 H74 N22 O67 W6 -","- C264 H296 N88 O268 W24 -","4","0.5","","Zhanga, Rong-Hua; Zhoua, Xin-Wen; Xiaoa, Shu-Zhang; Zhou, Zhao-Hui","Hydrogen bonding-controlled assemblies of polymeric and octanuclear tungsten citrates","Inorganica Chimica Acta","2012","391","","224","228","10.1016/j.ica.2012.04.025","","","0.71073","MoKα","","0.0526","0.029","","","0.0575","0.0638","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508162","13.6607","0.0003","13.8904","0.0004","20.0333","0.0006","106.524","0.002","97.523","0.002","110.994","0.002","3285.33","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","citrate tungsten complex","","","- C72 H155 N29 O90 W8 -","- C72 H155 N29 O90 W8 -","- C72 H155 N29 O90 W8 -","1","0.5","","Zhanga, Rong-Hua; Zhoua, Xin-Wen; Xiaoa, Shu-Zhang; Zhou, Zhao-Hui","Hydrogen bonding-controlled assemblies of polymeric and octanuclear tungsten citrates","Inorganica Chimica Acta","2012","391","","224","228","10.1016/j.ica.2012.04.025","","","0.71073","MoKα","","0.0451","0.0274","","","0.0633","0.0709","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508163","23.444","0.005","36.333","0.007","29.094","0.007","90","","105.335","0.005","90","","23900","9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C168 H176 Cl F49 Fe5 N32 O18.5 P8 -","- C169.5 H176 Cl F48 Fe5 N32 O15 P8 -","- C678 H704 Cl4 F192 Fe20 N128 O60 P32 -","4","1","","Ayme, Jean-François; Beves, Jonathon E.; Leigh, David A.; McBurney, Roy T.; Rissanen, Kari; Schultz, David","A synthetic molecular pentafoil knot.","Nature chemistry","2012","4","1","15","20","10.1038/nchem.1193","","","0.6889","synchrotron","","0.2497","0.1382","","","0.35","0.4217","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508164","9.8261","0.0002","11.6102","0.0002","14.6754","0.0003","90","","90","","90","","1674.21","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O -","- C20 H30 O -","- C80 H120 O4 -","4","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0438","0.0427","","","0.1119","0.1127","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508165","7.7453","0.0004","10.3009","0.0006","9.7366","0.0005","90","","94.175","0.002","90","","774.76","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0422","0.0421","","","0.1018","0.1018","","","","","","1.162","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508166","28.2551","0.0005","19.2999","0.0004","21.1845","0.0004","90","","97.2296","0.0007","90","","11460.5","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H76 B2 F48 O4 Pd4 -","- C120 H76 B2 F48 O4 Pd4 -","- C480 H304 B8 F192 O16 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.039","","","","0.0623","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508167","15.3692","0.0012","24.9813","0.0017","18.5227","0.0011","90","","93.871","0.003","90","","7095.4","0.8","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cl8 F24 O4 P4 Pd4 -","- C60 H52 Cl8 F24 O4 P4 Pd4 -","- C240 H208 Cl32 F96 O16 P16 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0533","","","","0.0627","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508168","26.6501","0.0011","11.2467","0.0004","21.7172","0.0008","90","","104.023","0.0011","90","","6315.2","0.4","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H61 B4 F16 N3 O6 Pd4 -","- C63 H58 B4 F16 N3 O6 Pd4 -","- C252 H232 B16 F64 N12 O24 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0364","","","","0.0429","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508169","7.8918","0.0004","24.8188","0.0013","29.1008","0.0016","90","","93.2773","0.0014","90","","5690.5","0.5","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 B2 F8 N2 O4 Pd4 -","- C62 H58 B2 F8 N2 O4 Pd4 -","- C248 H232 B8 F32 N8 O16 Pd16 -","4","1","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0461","","","","0.0722","","","","","","0.823","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508170","12.4175","0.0018","12.4175","0.0018","66.702","0.013","90","","90","","120","","8907","3","120","2","120","2","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C112.5 H116 Cl4 N14 O25.5 Zn2 -","- C112.5 H102 Cl4 N14 O25.5 Zn2 -","- C337.5 H306 Cl12 N42 O76.5 Zn6 -","3","0.5","","Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter","Optically pure, water-stable metallo-helical 'flexicate' assemblies with antibiotic activity.","Nature chemistry","2012","4","1","31","36","10.1038/nchem.1206","","","0.71073","MoKα","","0.1128","0.0828","","","0.2166","0.2495","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508171","10.305","0.002","11.201","0.003","11.779","0.003","63.547","0.004","65.449","0.004","66.927","0.004","1070.9","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 F3 N O3 -","- C22 H26 F3 N O3 -","- C44 H52 F6 N2 O6 -","2","1","","Montavon, Timothy J.; Li, Jing; Cabrera-Pardo, Jaime R; Mrksich, Milan; Kozmin, Sergey A.","Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers.","Nature chemistry","2012","4","1","45","51","10.1038/nchem.1212","","","0.71073","MoKα","","0.0981","0.0586","","","0.1402","0.1594","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508172","22.205","0.003","22.205","0.0017","12.509","0.0011","90","0.002","90","0.002","120","0.005","5341.4","1","173","2","173","2","","","","","","","MAT ETH Zurich","3","P -3","-P 3","147","","","","- C146 H118 O11 -","- C146.001 H78 O10.986 -","- C292.002 H156 O21.972 -","2","0.333333","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.1466","0.1362","","","0.3889","0.3989","","","","","","3.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508173","12.5392","0.0004","21.844","0.0005","22.5292","0.0006","61.234","0.002","88.2978","0.0012","89.8086","0.0014","5406.5","0.3","100","","100","","","","","","","","MAT ETH Zurich","4","P -1","-P 1","2","","","","- C144 H110 Cl2 O6 -","- C144 H110 Cl2 O6 -","- C288 H220 Cl4 O12 -","2","1","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.185","0.0949","","","0.2042","0.2533","","","","","","1.11","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508174","7.995","0.005","12.695","0.005","14.1","0.005","90","0.005","103.65","0.005","90","0.005","1390.7","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","6MesDACCF3Styrene","","","- C33 H35 F3 N2 O2 -","- C33 H35 F3 N2 O2 -","- C66 H70 F6 N4 O4 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71069","MoKα","","0.0961","0.0605","","","0.1422","0.1762","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508175","16.103","0.0007","10.495","0.0005","17.623","0.0007","90","","101.349","0.003","90","","2920.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MesDACDiethylMaleate","","","- C32 H40 N2 O6 -","- C32 H40 N2 O6 -","- C128 H160 N8 O24 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1588","0.0617","","","0.1246","0.1683","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508176","10.823","0.0002","16.686","0.0003","34.964","0.0005","90","","94.576","0.0007","90","","6294.11","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MesDACStilbene","","","- C38 H40 N2 O2 -","- C38 H40 N2 O2 -","- C304 H320 N16 O16 -","8","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1126","0.0577","","","0.1308","0.168","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508177","15.343","0.0002","10.755","0.0002","15.6115","0.0003","90","","101.147","0.001","90","","2527.52","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MesDACMaleonitrile","","","- C28 H30 N4 O2 -","- C28 H30 N4 O2 -","- C112 H120 N16 O8 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.0982","0.0561","","","0.1159","0.1402","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508178","12.279","0.0002","12.381","0.0001","18.148","0.0002","76.148","0.0008","82.469","0.0007","76.342","0.0007","2594.85","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","6MesDACNorbornene","","","- C31 H38 N2 O2 -","- C31 H38 N2 O2 -","- C124 H152 N8 O8 -","4","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1189","0.0702","","","0.1511","0.1926","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508179","8.1786","0.0009","10.2957","0.0011","14.8635","0.0016","85.453","0.002","81.396","0.002","80.662","0.002","1219.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACMethylvinylketone","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71075","MoKα","","0.0759","0.0528","","","0.1294","0.146","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508180","14.255","0.003","26.996","0.005","20.182","0.006","90","","132.768","0.018","90","","5702","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Cd N18 O16 -","- C56 H44 Cd N18 O16 -","- C224 H176 Cd4 N72 O64 -","4","1","","Wu, Hui-Lu; Yuan, Jing-Kun; Huang, Xing-Cai; Kou, Fan; Liu, Bin; Jia, Fei; Wang, Kai-Tong; Bai, Ying","Two zinc(II) and cadmium(II) complexes based on the V-shaped ligand 2,6-bis(2-benzimidazolyl)pyridine: Synthesis, crystal structure, DNA-binding properties and antioxidant activities","Inorganica Chimica Acta","2012","390","","12","21","10.1016/j.ica.2012.04.010","","","0.71073","MoKα","","0.034","0.0299","","","0.0719","0.0735","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508181","15.9318","0.0006","14.2492","0.0005","24.1259","0.0009","90","","93.8","0.001","90","","5464.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MesDACNO2Benzaldehyde","","","- C31 H33 N3 O5 -","- C31 H33 N3 O5 -","- C248 H264 N24 O40 -","8","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71075","MoKα","","0.0835","0.0544","","","0.1244","0.1415","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508182","14.221","0.003","26.462","0.005","20.396","0.006","90","","133.42","0.018","90","","5575","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 N18 O16 Zn -","- C56 H44 N18 O16 Zn -","- C224 H176 N72 O64 Zn4 -","4","1","","Wu, Hui-Lu; Yuan, Jing-Kun; Huang, Xing-Cai; Kou, Fan; Liu, Bin; Jia, Fei; Wang, Kai-Tong; Bai, Ying","Two zinc(II) and cadmium(II) complexes based on the V-shaped ligand 2,6-bis(2-benzimidazolyl)pyridine: Synthesis, crystal structure, DNA-binding properties and antioxidant activities","Inorganica Chimica Acta","2012","390","","12","21","10.1016/j.ica.2012.04.010","","","0.71073","MoKα","","0.0603","0.0373","","","0.0843","0.1158","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508183","15.3164","0.0002","15.3164","0.0002","11.091","0.0003","90","","90","","90","","2601.86","0.09","171","2","171","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C42 H54 N4 O2 Si4 U -","- C42 H54 N4 O2 Si4 U -","- C84 H108 N8 O4 Si8 U2 -","2","0.25","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0337","0.0229","","","0.0614","0.0661","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508184","16.2362","0.0015","18.1288","0.0015","26.4879","0.0019","90","","101.144","0.009","90","","7649.5","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H82 N8 O4 Si2 U2 -","- C69 H82 N8 O4 Si2 U2 -","- C276 H328 N32 O16 Si8 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.7107","MoKα","","0.0631","0.0453","","","0.1136","0.1285","","","","","","0.784","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508185","15.465","0.0003","24.4171","0.0006","20.7529","0.0005","90","","101.073","0.002","90","","7690.6","0.3","171","2","171","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H83 N8 O4 Si2 U2 -","- C79 H83 N8 O4 Si2 U2 -","- C316 H332 N32 O16 Si8 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0914","0.0493","","","0.1049","0.1275","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508186","14.1406","0.0006","14.7186","0.0008","18.347","0.0011","86.724","0.005","77.931","0.004","77.425","0.004","3644.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H90 N8 O12 Si U3 -","- C65 H90 N8 O12 Si U3 -","- C130 H180 N16 O24 Si2 U6 -","2","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","1.5418","CuKα","","0.0625","0.0439","","","0.0958","0.1049","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508187","39.346","0.005","39.346","0.005","39.346","0.005","90","","90","","90","","60912","13","300","2","300","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C528 H408 F144 N72 O24 P24 Pd12 -","- C528 H408 F144 N72 O24 P24 Pd12 -","- C1056 H816 F288 N144 O48 P48 Pd24 -","2","0.0208333","","Sun, Qing-Fu; Sato, Sota; Fujita, Makoto","An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core","Nature Chemistry","2012","4","4","330","333","10.1038/nchem.1285","","","0.7","synchrotron","","0.1211","0.1194","","","0.3694","0.3715","","","","","","1.822","","","","has coordinates","218751","2020-10-21","18:00:00",""
"1508188","53.334","0.006","53.334","0.006","53.334","0.006","90","","90","","90","","151709","3","293","2","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C552 H408 N90 O92 Pd18 -","- C552 H408 N90 O92 Pd18 -","- C2208 H1632 N360 O368 Pd72 -","4","0.0416667","","Sun, Qing-Fu; Sato, Sota; Fujita, Makoto","An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core","Nature Chemistry","2012","4","4","330","333","10.1038/nchem.1285","","","1","synchrotron","","0.0994","0.0882","","","0.2761","0.2887","","","","","","1.192","","","","has coordinates","218751","2020-10-21","18:00:00",""
"1508189","32.638","0.004","18.597","0.002","16.904","0.002","90","","104.878","0.0016","90","","9916","2","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 Ge -","- C56 H90 Ge -","- C448 H720 Ge8 -","8","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0384","0.0339","","","0.0878","0.091","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508190","25.3767","0.0002","10.9823","0.0001","18.0763","0.0002","90","","90.2057","0.0004","90","","5037.73","0.08","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 Ge O -","- C56 H90 Ge O -","- C224 H360 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0525","0.0328","","","0.0902","0.0961","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508191","12.9912","0.0013","18.9629","0.0019","20.688","0.002","90","","102.064","0.0012","90","","4983.9","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Ge O -","- C56 H90 Ge O -","- C224 H360 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0442","0.0384","","","0.0989","0.1055","","","","","","1.112","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508192","13.71","0.0019","17.896","0.002","21.842","0.003","90","","107.56","0.0016","90","","5109.3","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H94 Ge O -","- C57 H94 Ge O -","- C228 H376 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0638","0.0528","","","0.1445","0.1558","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508193","13.0454","0.0013","18.9843","0.0019","20.817","0.002","90","","102.151","0.0012","90","","5040","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Ge O2 -","- C56 H92 Ge O2 -","- C224 H368 Ge4 O8 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0349","0.0313","","","0.0768","0.0792","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508194","38.9676","0.0003","38.9676","0.0003","14.2661","0.0001","90","","90","","90","","21662.7","0.3","90","","90","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C60.25 H99 Ge O2 -","- C60.25 H99 Ge O2 -","- C964 H1584 Ge16 O32 -","16","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0587","0.0376","","","0.0901","0.0999","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508195","14.521","0.002","22.215","0.003","17.36","0.003","90","","97.761","0.002","90","","5548.8","1.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 Ge O Si -","- C62 H97 Ge O Si -","- C248 H388 Ge4 O4 Si4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0955","0.0726","","","0.1626","0.177","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508196","10.0743","0.0018","9.9792","0.0017","24.924","0.005","90","","90.988","0.003","90","","2505.3","0.8","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C57 H90 Ge O3 -","- C57 H90 Ge O3 -","- C114 H180 Ge2 O6 -","2","0.5","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0287","0.0275","","","0.068","0.0689","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508197","10.736","0.002","13.918","0.003","17.475","0.003","67.825","0.004","89.276","0.004","73.543","0.004","2305.9","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N O2 P -","- C62 H50 N O2 P -","- C124 H100 N2 O4 P2 -","2","1","","Ohmatsu, Kohsuke; Ito, Mitsunori; Kunieda, Tomoatsu; Ooi, Takashi","Ion-paired chiral ligands for asymmetric palladium catalysis.","Nature chemistry","2012","4","6","473","477","10.1038/nchem.1311","","","0.71073","MoKα","","0.0887","0.0645","","","0.169","0.1896","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508198","34.9972","0.0018","20.861","0.001","18.0161","0.001","90","","108.602","0.003","90","","12466","1.1","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C14 H72 Cl3 Co2 N7 Na4 O75 Se2 W19 -","- C14 Cl Co2 N8 Na3.4 O84.3 Se2 W19 -","- C56 Cl4 Co8 N32 Na13.6 O337.2 Se8 W76 -","4","0.5","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.08","0.0368","","","0.0714","0.0779","","","","","","0.866","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508199","36.022","0.003","20.6218","0.0013","17.8132","0.0013","90","","110.322","0.005","90","","12408.7","1.6","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C16 H80 Cl3 Mn2 N8 Na3 O75 Se2 W19 -","- C12 Cl1.5 Mn2 N6 O71.7 Se2 W19 -","- C48 Cl6 Mn8 N24 O286.8 Se8 W76 -","4","0.5","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.082","0.0515","","","0.137","0.1713","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508200","9.0792","0.0003","13.8548","0.0004","13.5655","0.0004","90","","101.341","0.003","90","","1673.09","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C84 H68 Br4 N8 O4 -","4","1","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.0449","0.0316","","","0.0779","0.0834","","","","","","0.962","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1508201","18.9372","0.0019","27.548","0.003","18.7708","0.0018","90","","100.644","0.001","90","","9623.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CB-SO3","CB-SO3","","- C68 H92.24 F21 N16 O46.62 S4 -","- C15.9995 H19.0209 F4.94047 N3.76471 O10.9699 S0.941176 -","- C271.992 H323.356 F83.988 N64 O186.488 S16 -","17","4.25","","Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle","Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals.","Nature chemistry","2012","4","6","503","510","10.1038/nchem.1326","","","0.71073","MoKα","","0.081","0.0713","","","0.1503","0.1537","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508202","19.457","0.002","23.652","0.002","29.876","0.003","80.705","0.001","87.973","0.001","75.36","0.001","13128","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Na4[TFA@CB].10TFA.12.5H2O","Na4[TFA@CB].10TFA.12.5H2O","","- C42 H52 F16.5 N8 Na2 O29.25 S2 -","- C64 H69 F3 N16 Na3.75 O28.9515 S4 -","- C256 H276 F12 N64 Na15 O115.806 S16 -","4","2","","Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle","Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals.","Nature chemistry","2012","4","6","503","510","10.1038/nchem.1326","","","0.71073","MoKα","","0.1235","0.108","","","0.2313","0.2375","","","","","","1","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1508203","11.4778","0.0002","16.5221","0.0003","27.708","0.0004","90","","90","","90","","5254.47","0.15","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 Au2 Cl2 P2 -","- C60 H62 Au2 Cl2 P2 -","- C240 H248 Au8 Cl8 P8 -","4","1","","Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R","A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes.","Nature chemistry","2012","4","5","405","409","10.1038/nchem.1327","","","1.54184","CuKα","","0.0252","0.0247","","","0.0621","0.0625","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508204","10.569","0.002","14.846","0.003","15.667","0.003","79.505","0.002","77.528","0.002","72.252","0.002","2268.1","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H65 N O14 -","- C43 H65 N O14 -","- C86 H130 N2 O28 -","2","1","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.1234","0.1","","","0.2881","0.3162","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508205","23.127","0.004","23.127","0.004","19.723","0.003","90","","90","","120","","9136","3","148","2","148","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35 H55 Cu2 N O19 -","- C35 H47.02 Cu2 N O16 -","- C315 H423.18 Cu18 N9 O144 -","9","0.5","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.2182","0.1994","","","0.5549","0.5617","","","","","","2.363","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508206","15.0826","0.0003","15.0937","0.0003","16.1407","0.0004","62.563","0.001","78.977","0.001","62.693","0.001","2896.79","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -","- C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -","- C86 H164 Cl4 F12 Ir4 N8 O12 P8 S4 -","2","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.057","0.0358","","","0.0828","0.0929","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508207","11.5257","0.001","13.0336","0.0011","17.1075","0.0014","79.173","0.002","89.524","0.002","68.544","0.002","2344.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H80 Ir2 N4 P4 -","- C40 H80 Ir2 N4 P4 -","- C80 H160 Ir4 N8 P8 -","2","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.036","0.0249","","","0.0501","0.0539","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508208","7.844","0.0006","26.903","0.002","11.8151","0.0009","90","","106.64","0.002","90","","2388.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Ir N3 P2 -","- C20 H40 Ir N3 P2 -","- C80 H160 Ir4 N12 P8 -","4","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.0327","0.028","","","0.0552","0.0566","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508209","8.7118","0.0003","9.6694","0.0003","16.1522","0.0006","91.546","0.002","96.857","0.002","116.772","0.001","1201.07","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H31 B2 Fe N O3 Si2 -","- C19 H31 B2 Fe N O3 Si2 -","- C38 H62 B4 Fe2 N2 O6 Si4 -","2","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0537","0.0351","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508210","27.394","0.004","9.3733","0.0013","21.725","0.003","90","","126.076","0.004","90","","4508.6","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 B4 Fe2 N2 O4 Si4 -","- C36 H62 B4 Fe2 N2 O4 Si4 -","- C144 H248 B16 Fe8 N8 O16 Si16 -","4","0.5","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0358","0.0274","","","0.0667","0.0711","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508211","9.1423","0.0005","13.2797","0.0008","18.333","0.0011","81.242","0.002","86.113","0.002","78.661","0.002","2155.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H62 B4 Fe N2 O2 Si4 -","- C34 H62 B4 Fe N2 O2 Si4 -","- C68 H124 B8 Fe2 N4 O4 Si8 -","2","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0701","0.0575","","","0.1378","0.1421","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508212","6.292","0.004","7.673","0.004","16.424","0.008","98.66","0.04","91.16","0.04","95.71","0.04","779.5","0.8","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C26 H16 -","- C26 H16 -","- C52 H32 -","2","1","","Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.","The synthesis, crystal structure and charge-transport properties of hexacene.","Nature chemistry","2012","4","7","574","578","10.1038/nchem.1381","","","1.54187","CuKα","","","0.094","","","","0.1943","","","","","","0.633","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508213","6.306","0.006","7.697","0.01","16.48","0.016","98.77","0.04","91.25","0.03","95.81","0.05","785.9","1.5","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C26 H16 -","- C26 H16 -","- C52 H32 -","2","1","","Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.","The synthesis, crystal structure and charge-transport properties of hexacene.","Nature chemistry","2012","4","7","574","578","10.1038/nchem.1381","","","0.71075","MoKα","","","0.1517","","","","0.3608","","","","","","1.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508214","8.2208","0.0003","14.6103","0.0006","17.4739","0.0008","90","","90","","90","","2098.76","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diboronates","(2R)-6,9-dimethyl-2,4-diphenylbenzo[j]-8-aza-1,3,5,2,4-trioxadiboraciclo undec-8-ene","","- C23 H23 B2 N O3 -","- C23 H23 B2 N O3 -","- C92 H92 B8 N4 O12 -","4","1","","Riveraa, Jose Maria; Mendeza, Enrique; Colorado-Peraltab, Raul; Rinconc, Susana; Farfanb, Norberto; Santillan, Rosa","Synthesis, characterization and X-ray studies of new six-seven membered rings [4.5.0] heterobicyclic system of monomeric boronates","Inorganica Chimica Acta","2012","390","","26","32","10.1016/j.ica.2012.03.055","","","0.71073","MoKα","","0.1191","0.0538","","","0.1106","0.1288","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508215","14.86","0.0003","14.401","0.0004","10.894","0.0003","90","","122.556","0.001","90","","1964.98","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Diboronates","9-methyl-2,4-diphenylbenzo[j]-8-aza-1,3,5,2,4-trioxadiboraciclo undec-8-ene","","- C22 H21 B2 N O3 -","- C22 H21 B2 N O3 -","- C88 H84 B8 N4 O12 -","4","1","","Riveraa, Jose Maria; Mendeza, Enrique; Colorado-Peraltab, Raul; Rinconc, Susana; Farfanb, Norberto; Santillan, Rosa","Synthesis, characterization and X-ray studies of new six-seven membered rings [4.5.0] heterobicyclic system of monomeric boronates","Inorganica Chimica Acta","2012","390","","26","32","10.1016/j.ica.2012.03.055","","","0.71073","MoKα","","0.0619","0.0415","","","0.1019","0.1157","","","","","","0.992","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1508216","9.812","0.002","14.079","0.003","14.816","0.003","82.53","0.03","71.3","0.03","89.84","0.03","1920.6","0.8","568","2","568","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H58 Cl F6 Ir2 P7 -","- C18 H54 Cl F6 Ir2 P7 -","- C36 H108 Cl2 F12 Ir4 P14 -","2","1","","Merola, Joseph S; Husebo, Trang Le; Selnau, Henry E","Dinuclear iridium complexes with unsupported Ir-Cl-Ir bridges","Inorganica Chimica Acta","2012","390","","33","36","10.1016/j.ica.2012.04.014","","","0.71073","MoKα","","0.0714","0.051","","","0.1253","0.1389","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508217","10.323","0.002","19.337","0.004","12.204","0.002","90","","110.09","0.03","90","","2287.9","0.9","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H66 Cl F6 Ir2 P7 -","- C30 H64 Cl F6 Ir2 P7 -","- C60 H128 Cl2 F12 Ir4 P14 -","2","1","","Merola, Joseph S; Husebo, Trang Le; Selnau, Henry E","Dinuclear iridium complexes with unsupported Ir-Cl-Ir bridges","Inorganica Chimica Acta","2012","390","","33","36","10.1016/j.ica.2012.04.014","","","0.71073","MoKα","","0.0526","0.0393","","","0.0732","0.0781","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508218","7.0672","0.001","24.537","0.002","12.0489","0.0017","90","","98.579","0.017","90","","2066","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cu N3 Na O8 -","- C19 H22 Cu N3 Na O8 -","- C76 H88 Cu4 N12 Na4 O32 -","4","1","","Bhowmika, Prasanta; Janaa, Subrata; Janab, Partha Pratim; Harmsb, Klaus; Chattopadhyay, Shouvik","Anion mediated diversity in the H-bonded assembly of a series of heteronuclear copper(II)/sodium(I) compounds","Inorganica Chimica Acta","2012","390","","53","60","10.1016/j.ica.2012.03.044","","","0.71073","MoKα","","0.0538","0.0318","","","0.0632","0.0675","","","","","","0.912","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508219","7.259","0.0002","11.0904","0.0003","13.5757","0.0003","96.854","0.001","101.099","0.001","93.095","0.001","1061.48","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cu N5 Na O5 -","- C20 H24 Cu N5 Na O5 -","- C40 H48 Cu2 N10 Na2 O10 -","2","1","","Bhowmika, Prasanta; Janaa, Subrata; Janab, Partha Pratim; Harmsb, Klaus; Chattopadhyay, Shouvik","Anion mediated diversity in the H-bonded assembly of a series of heteronuclear copper(II)/sodium(I) compounds","Inorganica Chimica Acta","2012","390","","53","60","10.1016/j.ica.2012.03.044","","","0.71073","MoKα","","0.0749","0.0417","","","0.1095","0.1245","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508220","13.1161","0.0004","13.6814","0.0005","24.0413","0.0008","90","","90","","90","","4314.1","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cu N3 Na O5 S -","- C20 H22 Cu N3 Na O5 S -","- C160 H176 Cu8 N24 Na8 O40 S8 -","8","1","","Bhowmika, Prasanta; Janaa, Subrata; Janab, Partha Pratim; Harmsb, Klaus; Chattopadhyay, Shouvik","Anion mediated diversity in the H-bonded assembly of a series of heteronuclear copper(II)/sodium(I) compounds","Inorganica Chimica Acta","2012","390","","53","60","10.1016/j.ica.2012.03.044","","","0.71073","MoKα","","0.0755","0.0408","","","0.0569","0.0637","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508221","7.837","0.012","18.02","0.03","10.191","0.015","90","","93.76","0.02","90","","1436","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cd F O7 -","- C11 H15 Cd F O7 -","- C44 H60 Cd4 F4 O28 -","4","1","","Chena, Sheng-Chun; Qina, Rui-Rui; Zhanga, Zhi-Hui; Qina, Jing; Gaob, Hai-Bo; Suna, Fu-An; Hea,Ming-Yang; Chen, Qun","Solvent-regulated assembly of three new polymeric Cd^II^ 5-fluoroisophthalates with mono-, di-, and trinuclear nodes: Syntheses, structures, and luminescent properties","Inorganica Chimica Acta","2012","390","","61","69","10.1016/j.ica.2012.04.009","","","0.71073","MoKα","","0.0879","0.0499","","","0.1474","0.1962","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508222","11.545","0.013","13.044","0.015","18.265","0.016","90","","117.83","0.05","90","","2432","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cd2 F2 O17 -","- C16 H24 Cd2 F2 O17 -","- C64 H96 Cd8 F8 O68 -","4","1","","Chena, Sheng-Chun; Qina, Rui-Rui; Zhanga, Zhi-Hui; Qina, Jing; Gaob, Hai-Bo; Suna, Fu-An; Hea,Ming-Yang; Chen, Qun","Solvent-regulated assembly of three new polymeric Cd^II^ 5-fluoroisophthalates with mono-, di-, and trinuclear nodes: Syntheses, structures, and luminescent properties","Inorganica Chimica Acta","2012","390","","61","69","10.1016/j.ica.2012.04.009","","","0.71073","MoKα","","0.0412","0.0339","","","0.123","0.1314","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508223","9.7958","0.0015","11.9927","0.0019","13.362","0.002","114.579","0.003","91.172","0.003","91.63","0.003","1426","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cd4 F4 N4 O26 -","- C44 H52 Cd4 F4 N4 O26 -","- C44 H52 Cd4 F4 N4 O26 -","1","0.5","","Chena, Sheng-Chun; Qina, Rui-Rui; Zhanga, Zhi-Hui; Qina, Jing; Gaob, Hai-Bo; Suna, Fu-An; Hea,Ming-Yang; Chen, Qun","Solvent-regulated assembly of three new polymeric Cd^II^ 5-fluoroisophthalates with mono-, di-, and trinuclear nodes: Syntheses, structures, and luminescent properties","Inorganica Chimica Acta","2012","390","","61","69","10.1016/j.ica.2012.04.009","","","0.71073","MoKα","","0.0533","0.0445","","","0.1533","0.1878","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508224","8.6025","0.0001","10.2951","0.0002","27.5041","0.0004","90","","90","","90","","2435.86","0.07","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B2 F8 Fe2 N4 O4 -","- C20 H22 B2 F8 Fe2 N4 O4 -","- C80 H88 B8 F32 Fe8 N16 O16 -","4","1","","Mthiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D.","Reactions of N-heterocyclic ligands with substitutionally labile organometallic complexes, [(eta5-C5R5)Fe(CO)2E]BF4","Inorganica Chimica Acta","2012","390","","83","94","10.1016/j.ica.2012.04.003","","","0.71073","MoKα","","0.0314","0.0284","","","0.0705","0.0715","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508225","17.084","0.0004","13.9877","0.0004","7.6984","0.0002","90","","90","","90","","1839.65","0.08","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H21 B F4 Fe N2 O2 -","- C16 H21 B F4 Fe N2 O2 -","- C64 H84 B4 F16 Fe4 N8 O8 -","4","1","","Mthiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D.","Reactions of N-heterocyclic ligands with substitutionally labile organometallic complexes, [(eta5-C5R5)Fe(CO)2E]BF4","Inorganica Chimica Acta","2012","390","","83","94","10.1016/j.ica.2012.04.003","","","0.71073","MoKα","","0.0418","0.0342","","","0.0836","0.087","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508226","17.8135","0.0006","9.9651","0.0004","23.9093","0.001","90","","95.386","0.001","90","","4225.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 B F4 Fe N2 O2 -","- C11 H11 B F4 Fe N2 O2 -","- C132 H132 B12 F48 Fe12 N24 O24 -","12","3","","Mthiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D.","Reactions of N-heterocyclic ligands with substitutionally labile organometallic complexes, [(eta5-C5R5)Fe(CO)2E]BF4","Inorganica Chimica Acta","2012","390","","83","94","10.1016/j.ica.2012.04.003","","","0.71073","MoKα","","0.0787","0.0535","","","0.1456","0.1663","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508229","9.3227","0.0001","10.6215","0.0002","13.2099","0.0002","76.492","0.001","69.406","0.001","78.765","0.002","1181.44","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","1","","Hui Zhou; Thierry Maris; James D. Wuest","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","J. Phys. Chem. C","2012","116","","13052","13062","10.1021/jp300029z","","","1.54178","CuKα","","0.0415","0.0412","","","0.106","0.1064","","","","","","1.158","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508230","9.0092","0.0002","9.5914","0.0002","10.1026","0.0001","70.319","0.002","66.113","0.001","65.792","0.001","712.59","0.02","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C34 H30 O8 -","- C34 H30 O8 -","- C34 H30 O8 -","1","0.5","","Hui Zhou; Thierry Maris; James D. Wuest","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","J. Phys. Chem. C","2012","116","","13052","13062","10.1021/jp300029z","","","1.54178","CuKα","","0.042","0.0419","","","0.1011","0.1012","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508231","10.2725","0.0002","15.2009","0.0003","23.731","0.0004","90","","95.896","0.001","90","","3686.02","0.12","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C41 H35 Cl3 O8 -","- C41 H35 Cl3 O8 -","- C164 H140 Cl12 O32 -","4","2","","Hui Zhou; Thierry Maris; James D. Wuest","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","J. Phys. Chem. C","2012","116","","13052","13062","10.1021/jp300029z","","","1.54178","CuKα","","0.0284","0.0282","","","0.0761","0.0763","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508232","9.0194","0.0007","10.271","0.0012","13.3188","0.0011","67.405","0.005","73.348","0.003","64.216","0.004","1015.07","0.17","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C44 H36 Cl6 O8 -","- C44 H36 Cl6 O8 -","- C44 H36 Cl6 O8 -","1","0.5","","Hui Zhou; Thierry Maris; James D. Wuest","Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids","J. Phys. Chem. C","2012","116","","13052","13062","10.1021/jp300029z","","","1.54178","CuKα","","0.044","0.0415","","","0.1132","0.1155","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508233","8.2757","0.0011","16.992","0.002","9.7999","0.0013","90","","93.804","0.002","90","","1375","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N3 O2 S -","- C11 H16 Cl N3 O2 S -","- C44 H64 Cl4 N12 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.082","0.0571","","","0.1426","0.1609","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508234","5.9123","0.0003","15.7609","0.0007","17.3746","0.0007","90","","90","","90","","1619.02","0.13","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 S -","- C17 H24 O3 S -","- C68 H96 O12 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0291","0.0283","","","0.0764","0.0775","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508235","8.0945","0.0009","9.5301","0.001","9.8131","0.0011","90","","96.014","0.001","90","","752.83","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C30 H42 N2 O4 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0409","0.0391","","","0.101","0.1032","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508236","9.8222","0.001","6.1623","0.0006","17.139","0.0017","90","","100.004","0.002","90","","1021.61","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 O3 S -","- C22 H32 O3 S -","- C44 H64 O6 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0364","0.0331","","","0.0841","0.0864","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508237","8.724","0.003","11.713","0.004","22.823","0.007","90","","90","","90","","2332.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.1016","0.0715","","","0.1643","0.1882","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508238","7.4983","0.0003","9.7183","0.0003","32.9845","0.0012","90","","90","","90","","2403.6","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","1.54178","CuKα","","0.0356","0.0353","","","0.0897","0.0901","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508239","14.2651","0.0004","15.6815","0.0005","31.5761","0.001","90","","97.149","0.003","90","","7008.6","0.4","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H109 B O4 U2 -","- C76 H109 B O4 U2 -","- C304 H436 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0571","0.0416","","","0.0675","0.0717","","","","","","1.201","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508240","14.0326","0.0003","15.8676","0.0003","31.7835","0.0005","90","","95.86","0.002","90","","7040","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H113 B O4 U2 -","- C78 H113 B O4 U2 -","- C312 H452 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0478","0.0461","","","0.1247","0.1268","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508241","24.882","0.0001","10.719","0.0001","25.2792","0.0001","90","","90","","90","","6742.22","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H107 B O4 U2 -","- C76 H107 B O4 U2 -","- C304 H428 B4 O16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0279","0.0265","","","0.0635","0.0646","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508242","14.2409","0.0004","15.9949","0.0004","31.9248","0.0009","90","","97.411","0.003","90","","7211.1","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H113 B O4 U2 -","- C81 H113 B O4 U2 -","- C324 H452 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.066","0.0389","","","0.0505","0.0556","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508243","25.959","0.002","26.8806","0.0011","23.248","0.002","90","","117.573","0.011","90","","14380","2","171","2","171","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 O4 U2 -","- C80 H108 O4 U2 -","- C640 H864 O32 U16 -","8","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0914","0.0386","","","0.0735","0.0957","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508244","10.3378","0.0003","17.6019","0.0005","13.7838","0.0005","90","","107.967","0.004","90","","2385.86","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H78 N4 Si8 U2 -","- C30 H78 N4 Si8 U2 -","- C60 H156 N8 Si16 U4 -","2","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0237","0.019","","","0.0459","0.0497","","","","","","0.718","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508245","9.9492","0.0003","16.7596","0.0004","31.5821","0.001","90","","94.515","0.003","90","","5249.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H84 N2 O2 Si4 U2 -","- C46 H84 N2 O2 Si4 U2 -","- C184 H336 N8 O8 Si16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0344","0.0248","","","0.0444","0.0468","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508246","13.9662","0.0005","17.3367","0.0006","26.0453","0.0008","87.379","0.003","78.703","0.003","68.266","0.003","5742","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H92 O4 U2 -","- C63 H92 O4 U2 -","- C252 H368 O16 U8 -","4","2","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54184","CuKα","","0.0735","0.0462","","","0.1039","0.1199","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508247","22.026","0.0005","17.4845","0.0005","28.1385","0.0008","90","","112.026","0.002","90","","10045.6","0.5","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H80 N4 Si8 U2 -","- C31 H80 N4 Si8 U2 -","- C248 H640 N32 Si64 U16 -","8","2","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.1158","0.0601","","","0.0949","0.1156","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508248","25.9066","0.0018","13.8525","0.0006","17.9287","0.0012","90","","108.504","0.007","90","","6101.5","0.7","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H94 O4 U2 -","- C68 H94 O4 U2 -","- C272 H376 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0671","0.0308","","","0.0573","0.0696","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508249","14.8957","0.0001","14.8957","0.0001","12.143","0.0002","90","","90","","90","","2694.31","0.05","170","2","170","2","","","","","","","","5","P 42","P 4c","77","","","","- C36 H82 N4 Si8 U2 -","- C36 H82 N4 Si8 U2 -","- C72 H164 N8 Si16 U4 -","2","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0377","0.0278","","","0.0509","0.0541","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508250","11.8917","0.0003","15.9353","0.0005","26.8697","0.0006","90","","90","","90","","5091.7","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr O7 U -","- C52 H71 Cr O7 U -","- C208 H284 Cr4 O28 U4 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0333","0.0279","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508251","13.9037","0.0019","14.469","0.002","17.351","0.003","90","","99.652","0.004","90","","3441.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 B F2 N3 O4 -","- C41 H41 B F2 N3 O4 -","- C164 H164 B4 F8 N12 O16 -","4","1","","Jokic, Tijana; Borisov, Sergey M.; Saf, Robert; Nielsen, Daniel A.; Kühl, Michael; Klimant, Ingo","Highly Photostable Near-Infrared Fluorescent pH Indicators and Sensors Based on BF(2)-Chelated Tetraarylazadipyrromethene Dyes.","Analytical chemistry","2012","84","15","6723","6730","10.1021/ac3011796","","","0.71073","MoKα","","0.0726","0.0661","","","0.1705","0.1808","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508252","9.958","0.0012","11.116","0.0016","18.302","0.002","90","","90","","90","","2025.9","0.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl O5 -","- C20 H29 Cl O5 -","- C80 H116 Cl4 O20 -","4","1","","Xu, Jing; Jin, Da-Qing; Liu, Cuizhou; Xie, Chunfeng; Guo, Yuanqiang; Fang, Lingzhi","Isolation, Characterization, and NO Inhibitory Activities of Sesquiterpenes from Blumea balsamifera.","Journal of agricultural and food chemistry","2012","60","32","8051","8058","10.1021/jf302530u","","","0.71075","MoKα","","0.0313","0.0275","","","0.0666","0.0674","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508253","13.6384","0.0005","7.1514","0.0003","19.5985","0.0008","90","","101.048","0.001","90","","1876.09","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H27 F2 N O5 -","- C18 H27 F2 N O5 -","- C72 H108 F8 N4 O20 -","4","1","","Yu, Wenquan; Gill, Tina; Wang, Lijuan; Du, Yanming; Ye, Hong; Qu, Xiaowang; Guo, Ju-Tao; Cuconati, Andrea; Zhao, Kang; Block, Timothy M.; Xu, Xiaodong; Chang, Jinhong","Design, Synthesis, and Biological Evaluation of N-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection.","Journal of medicinal chemistry","2012","55","13","6061","6075","10.1021/jm300171v","","","0.71073","MoKα","","0.0276","0.0263","","","0.0719","0.0729","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508254","9.8347","0.0002","12.3153","0.0002","13.6788","0.0002","94.438","0.001","108.137","0.001","94.692","0.001","1559.87","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 N4 O Si1.5 -","- C34 H47 N4 O Si1.5 -","- C68 H94 N8 O2 Si3 -","2","1","","Yang, Yang; Kennedy, Vance O.; Updegraph, 3rd, James B; Samas, Brian; Macikenas, Dainius; Chaloux, Brian; Miller, Jacob A.; Van Goethem, Erika M.; Kenney, Malcolm E.","Long Directional Interactions (LDIs) in Oligomeric Cofacial Silicon Phthalocyanines and Other Oligomeric and Polymeric Cofacial Phthalocyanines.","The journal of physical chemistry. A","2012","116","34","8718","8730","10.1021/jp3025182","","","0.71073","MoKα","","0.0523","0.0394","","","0.1058","0.1126","","","","","","1.335","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508255","12.9596","0.0002","17.7729","0.0005","21.9722","0.0006","78.856","0.001","74.009","0.001","72.145","0.001","4597.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H110 N16 O3 Si4 -","- C100 H110 N16 O3 Si4 -","- C200 H220 N32 O6 Si8 -","2","1","","Yang, Yang; Kennedy, Vance O.; Updegraph, 3rd, James B; Samas, Brian; Macikenas, Dainius; Chaloux, Brian; Miller, Jacob A.; Van Goethem, Erika M.; Kenney, Malcolm E.","Long Directional Interactions (LDIs) in Oligomeric Cofacial Silicon Phthalocyanines and Other Oligomeric and Polymeric Cofacial Phthalocyanines.","The journal of physical chemistry. A","2012","116","34","8718","8730","10.1021/jp3025182","","","0.71073","MoKα","","0.1345","0.0742","","","0.1897","0.235","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508256","14.3609","0.0012","19.9352","0.0016","21.5817","0.0018","87.529","0.002","74.499","0.002","76.1","0.002","5778","0.8","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H126 N24 O4 Si5 -","- C132 H126 N24 O4 Si5 -","- C264 H252 N48 O8 Si10 -","2","1","","Yang, Yang; Kennedy, Vance O.; Updegraph, 3rd, James B; Samas, Brian; Macikenas, Dainius; Chaloux, Brian; Miller, Jacob A.; Van Goethem, Erika M.; Kenney, Malcolm E.","Long Directional Interactions (LDIs) in Oligomeric Cofacial Silicon Phthalocyanines and Other Oligomeric and Polymeric Cofacial Phthalocyanines.","The journal of physical chemistry. A","2012","116","34","8718","8730","10.1021/jp3025182","","","0.71073","MoKα","","0.2466","0.0673","","","0.085","0.1075","","","","","","0.814","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508257","20.251","0.002","20.251","0.002","20.251","0.002","90","","90","","90","","8305","1.4","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C108 H36 O110 Zn22 -","- C108 H36 O110 Zn22 -","- C108 H36 O110 Zn22 -","1","0.0208333","","Larsen, Randy W.; Wojtas, Lukasz","Photophysical studies of Ru(II)tris(2,2'-bipyridine) confined within a Zn(II)-trimesic acid polyhedral metal-organic framework.","The journal of physical chemistry. A","2012","116","30","7830","7835","10.1021/jp302979a","","","0.40656","","","0.1037","0.0987","","","0.2054","0.207","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508258","6.749","0.0007","26.529","0.003","15.082","0.0016","90","","90","","90","","2700.3","0.5","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","","","Sigalov, Mark V.; Doronina, Evgeniya P.; Sidorkin, Valery F.","C(Ar)-h···o hydrogen bonds in substituted isobenzofuranone derivatives: geometric, topological, and NMR characterization.","The journal of physical chemistry. A","2012","116","29","7718","7725","10.1021/jp304009g","","","0.71073","MoKα","","0.0721","0.0547","","","0.1354","0.1491","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508259","20.363","0.003","9.604","0.0017","13.438","0.003","90","","114.767","0.004","90","","2386.3","0.8","172","2","172","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cl2 O4 -","- C12 H8 Cl2 O4 -","- C96 H64 Cl16 O32 -","8","1","","Sigalov, Mark V.; Doronina, Evgeniya P.; Sidorkin, Valery F.","C(Ar)-h···o hydrogen bonds in substituted isobenzofuranone derivatives: geometric, topological, and NMR characterization.","The journal of physical chemistry. A","2012","116","29","7718","7725","10.1021/jp304009g","","","0.71073","MoKα","","0.0425","0.0306","","","0.0768","0.0833","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508260","19.5","0.012","6.929","0.004","26.031","0.016","90","","90","","90","","3517","4","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C192 H128 N16 -","8","2","","Chang, Chih-Wei; Bhongale, Chetan Jagdish; Lee, Chi-Shen; Huang, Wei-Kai; Hsu, Chain-Shu; Diau, Eric Wei-Guang","Relaxation Dynamics and Structural Characterization of Organic Nanobelts with Aggregation-Induced Emission","The Journal of Physical Chemistry C","2012","116","28","15146","","10.1021/jp304117n","","","0.71073","MoKα","","0.1099","0.0948","","","0.2384","0.2529","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508261","10.795","0.011","20.28","0.02","24.74","0.03","85.3","0.03","85.82","0.03","75.68","0.02","5222","10","296","2","296","2","","","","","","","","3","P -1","-P 1","2","PDP-acid","","","- C27 H44 O5 -","- C27 H44 O5 -","- C216 H352 O40 -","8","4","","Kashyap, Smita; Jayakannan, M.","Amphiphilic diblocks sorting into multivesicular bodies and their fluorophore encapsulation capabilities.","The journal of physical chemistry. B","2012","116","32","9820","9831","10.1021/jp304121d","","","0.71073","MoKα","","0.2381","0.0972","","","0.2338","0.3195","","","","","","0.952","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508262","14.651","0.003","15.895","0.003","27.762","0.006","90","","101.73","0.03","90","","6330","2","123","2","123","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","B_PP","py-DPH2PH2(BF4)(H2O)","","- C37 H32 B F4 N2 O1.5 -","- C37 H32 B F4 N2 O1.5 -","- C296 H256 B8 F32 N16 O12 -","8","2","","Fortage, Jérôme; Tuyèras, Fabien; Peltier, Cyril; Dupeyre, Grégory; Calboréan, Adrian; Bedioui, Fethi; Ochsenbein, Philippe; Puntoriero, Fausto; Campagna, Sebastiano; Ciofini, Ilaria; Lainé, Philippe P","Tictoid expanded pyridiniums: assessing structural, electrochemical, electronic, and photophysical features.","The journal of physical chemistry. A","2012","116","30","7880","7891","10.1021/jp3043158","","x-ray","0.71073","MoKα","","0.0814","0.0606","","","0.1772","0.1888","","","","","","1.523","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508263","7.925","0.0016","16.055","0.003","17.098","0.003","114.32","0.03","100.04","0.03","96.16","0.03","1912.8","0.9","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","F_Q_XT","MedBQNTH2 2(PF6)","","- C38 H30 F12 N2 P2 -","- C38 H30 F12.002 N2 P2 -","- C76 H60 F24.004 N4 P4 -","2","1","","Fortage, Jérôme; Tuyèras, Fabien; Peltier, Cyril; Dupeyre, Grégory; Calboréan, Adrian; Bedioui, Fethi; Ochsenbein, Philippe; Puntoriero, Fausto; Campagna, Sebastiano; Ciofini, Ilaria; Lainé, Philippe P","Tictoid expanded pyridiniums: assessing structural, electrochemical, electronic, and photophysical features.","The journal of physical chemistry. A","2012","116","30","7880","7891","10.1021/jp3043158","","x-ray","0.71073","MoKα","","0.1512","0.0925","","","0.2342","0.2593","","","","","","1.487","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508264","9.0927","0.0002","14.0793","0.0004","19.015","","111.408","0.002","91.151","0.003","90.305","0.002","2265.66","0.09","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H24 N2 -","- C31 H24 N2 -","- C124 H96 N8 -","4","2","","Lin, Che-Jen; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Photoluminescence and trans →cis photoisomerization of aminostyrene-conjugated phenylpyridine C^N ligands and their complexes with platinum(II): the styryl position and the amino substituent effects.","The journal of physical chemistry. B","2012","116","28","8222","8232","10.1021/jp304893c","","","0.71073","MoKα","","0.1174","0.0466","","","0.0977","0.1131","","","","","","0.874","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508265","20.9579","0.0005","13.4509","0.0002","12.1771","0.0002","90","","92.231","0.002","90","","3430.15","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O3.5 Pt -","- C42 H42 N2 O3.5 Pt -","- C168 H168 N8 O14 Pt4 -","4","1","","Lin, Che-Jen; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Photoluminescence and trans →cis photoisomerization of aminostyrene-conjugated phenylpyridine C^N ligands and their complexes with platinum(II): the styryl position and the amino substituent effects.","The journal of physical chemistry. B","2012","116","28","8222","8232","10.1021/jp304893c","","","0.71073","MoKα","","0.0577","0.0369","","","0.0894","0.0984","","","","","","1.037","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508266","14.825","0.002","19.659","0.003","21.761","0.004","90","","95.97","0.004","90","","6307.7","1.7","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H80.8 N4 O32.4 S4 -","- C48 H56 N4 O32.4 S4 -","- C192 H224 N16 O129.6 S16 -","4","1","","Chen, Ling; Zhang, Ying-Ming; Liu, Yu","Molecular Binding Behaviors between Tetrasulfonated Bis(m-phenylene)-26-crown-8 and Bispyridinium Guests in Aqueous Solution.","The journal of physical chemistry. B","2012","116","31","9500","9506","10.1021/jp305503e","","","0.71075","MoKα","","0.1467","0.1186","","","0.3113","0.3352","","","","","","1.095","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508267","8.063","0.002","12.42","0.003","12.585","0.004","89.91","0.008","86.228","0.01","82.075","0.01","1245.5","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N4 O21 S4 -","- C48 H58 N4 O21 S4 -","- C48 H58 N4 O21 S4 -","1","0.5","","Chen, Ling; Zhang, Ying-Ming; Liu, Yu","Molecular Binding Behaviors between Tetrasulfonated Bis(m-phenylene)-26-crown-8 and Bispyridinium Guests in Aqueous Solution.","The journal of physical chemistry. B","2012","116","31","9500","9506","10.1021/jp305503e","","","0.71073","MoKα","","0.0516","0.0402","","","0.1198","0.1248","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508268","32.2759","0.0004","25.4517","0.0003","13.9332","0.0002","90","","110.053","0.0008","90","","10751.9","0.2","193","1","193","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 Cr6 K2 N6 O70 Si W12 -","- C58 Cr6 K2 N6 O70 Si W12 -","- C232 Cr24 K8 N24 O280 Si4 W48 -","4","0.5","","Eguchi, Ryo; Uchida, Sayaka; Mizuno, Noritaka","Highly Selective Sorption and Separation of CO2from a Gas Mixture of CO2and CH4at Room Temperature by a Zeolitic Organic‒Inorganic Ionic Crystal and Investigation of the Interaction with CO2","The Journal of Physical Chemistry C","2012","116","30","16105","","10.1021/jp305890s","","","0.71069","MoKα","","","0.0612","","","","0.1873","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508269","48.072","0.01","8.944","0.0018","32.086","0.006","90","","113","0.03","90","","12699","5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H58 Br2 Cl2 N2 Pd -","- C62 H58 Br2 Cl2 N2 Pd -","- C496 H464 Br16 Cl16 N16 Pd8 -","8","1","","He, Susan; Buelt, Ashley A.; Hanley, Jessica M.; Morgan, Brad P.; Tennyson, Andrew G.; Smith, Rhett C.","Sterically Encumbered Bipyridyl-Derivatized Conjugated Polymers and Metallopolymers Incorporating Phenylenevinylene, Phenyleneethynylene, and Fluorenylene Segments","Macromolecules","2012","45","16","6344","","10.1021/ma2025144","","","0.71073","MoKα","","0.0959","0.0706","","","0.1937","0.2138","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508270","8.1338","0.0011","9.735","0.0015","14.8934","0.0019","89.772","0.006","87.339","0.006","89.842","0.006","1178","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 Br O2 -","- C27 H29 Br O2 -","- C54 H58 Br2 O4 -","2","1","","He, Susan; Buelt, Ashley A.; Hanley, Jessica M.; Morgan, Brad P.; Tennyson, Andrew G.; Smith, Rhett C.","Sterically Encumbered Bipyridyl-Derivatized Conjugated Polymers and Metallopolymers Incorporating Phenylenevinylene, Phenyleneethynylene, and Fluorenylene Segments","Macromolecules","2012","45","16","6344","","10.1021/ma2025144","","","0.71073","MoKα","","0.0549","0.0411","","","0.0977","0.1097","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508271","6.393","0.002","9.267","0.003","11.825","0.004","90","","90","","90","","700.6","0.4","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","","Darensbourg, Donald J.; Wei, Sheng-Hsuan","Depolymerization of Polycarbonates Derived from Carbon Dioxide and Epoxides to Provide Cyclic Carbonates. A Kinetic Study","Macromolecules","2012","45","15","5916","","10.1021/ma301110c","","","0.71073","MoKα","","0.0389","0.033","","","0.0799","0.0891","","","","","","0.479","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508272","24.8952","0.0013","14.1208","0.0007","23.1567","0.0018","90","","121.561","0.001","90","","6936.4","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","12026","","","- C66 H74 Al2 D16 N8 O14 -","- C66 H74 Al2 D16 N8 O14 -","- C264 H296 Al8 D64 N32 O56 -","4","0.5","","Ding, Keying; Miranda, Maria O.; Moscato-Goodpaster, Beth; Ajellal, Noureddine; Breyfogle, Laurie E.; Hermes, Eric D.; Schaller, Chris P.; Roe, Stephanie E.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.","Roles of Monomer Binding and Alkoxide Nucleophilicity in Aluminum-Catalyzed Polymerization of ε-Caprolactone","Macromolecules","2012","45","13","5387","","10.1021/ma301130b","","","0.71073","MoKα","","0.0879","0.049","","","0.1128","0.1331","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508273","10.6167","0.0002","10.7288","0.0002","21.4811","0.0004","90","","90","","90","","2446.79","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","","Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun","Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis.","Journal of natural products","2012","75","7","1277","1283","10.1021/np300053f","","","1.54184","CuKα","","0.0427","0.0405","","","0.1045","0.107","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508274","11.2839","0.0002","10.5826","0.0002","22.4195","0.0004","90","","95.031","0.002","90","","2666.87","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C59 H70 O18 -","- C59 H70 O18 -","- C118 H140 O36 -","2","1","","Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun","Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis.","Journal of natural products","2012","75","7","1277","1283","10.1021/np300053f","","","1.54184","CuKα","","0.0421","0.0398","","","0.1077","0.1103","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508275","6.234","0.0012","11.064","0.002","22.677","0.005","90","","90","","90","","1564.1","0.5","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O7 -","- C17 H18 O7 -","- C68 H72 O28 -","4","1","","Feng, Yu; Wang, Lin; Niu, Shubin; Li, Li; Si, Yikang; Liu, Xingzhong; Che, Yongsheng","Naphthalenones from a Perenniporia sp. Inhabiting the Larva of a Phytophagous Weevil, Euops chinesis.","Journal of natural products","2012","75","7","1339","1345","10.1021/np300263u","","","0.71073","MoKα","","0.0765","0.0387","","","0.0717","0.0814","","","","","","0.517","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508276","8.245","0.0002","10.6777","0.0003","36.1362","0.0014","90","","90","","90","","3181.35","0.17","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 O7 Si2 -","- C27 H47.552 O7 Si1.998 -","- C108 H190.208 O28 Si7.992 -","4","1","","Chambers, Jennifer M.; Huang, David C. S.; Lindqvist, Lisa M.; Savage, G. Paul; White, Jonathan M.; Rizzacasa, Mark A.","Total synthesis of 2‴,5‴-diepisilvestrol and its c1‴ epimer: key structure activity relationships at c1‴ and c2‴.","Journal of natural products","2012","75","8","1500","1504","10.1021/np300376f","","","1.5418","CuKα","","0.048","0.0436","","","0.1165","0.1208","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508277","18.199","0.005","26.703","0.008","7.364","0.002","90","","90","","90","","3578.7","1.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H15 I O -","- C23 H15 I O -","- C184 H120 I8 O8 -","8","1","","Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan","Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols.","Organic letters","2012","14","14","3588","3591","10.1021/ol301153t","","","0.71073","MoKα","","0.0981","0.0805","","","0.2521","0.2632","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508278","9.566","0.008","9.734","0.009","11.985","0.008","105.07","0.05","98.08","0.05","102.89","0.05","1026.8","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F I O2 -","- C24 H18 F I O2 -","- C48 H36 F2 I2 O4 -","2","1","","Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan","Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols.","Organic letters","2012","14","14","3588","3591","10.1021/ol301153t","","","0.71073","MoKα","","0.0983","0.0809","","","0.2173","0.2344","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508279","7.6654","0.0007","10.4255","0.001","13.244","0.0018","105.244","0.001","98.44","0.001","110.152","0.001","925.15","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C40 H38 N2 O10 S2 -","2","1","","Kulshrestha, Aman; Salehi Marzijarani, Nastaran; Dilip Ashtekar, Kumar; Staples, Richard; Borhan, Babak","3,4-Dihydroxypyrrolidines via modified tandem aza-Payne/hydroamination pathway.","Organic letters","2012","14","14","3592","3595","10.1021/ol301204w","","x-ray","0.71073","MoKα","","0.0757","0.0588","","","0.1284","0.1401","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508280","7.4553","0.0007","10.7405","0.001","11.3712","0.0011","65.85","0.001","86.644","0.001","88.992","0.001","829.4","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N O5 S -","- C16 H19 N O5 S -","- C32 H38 N2 O10 S2 -","2","1","","Kulshrestha, Aman; Salehi Marzijarani, Nastaran; Dilip Ashtekar, Kumar; Staples, Richard; Borhan, Babak","3,4-Dihydroxypyrrolidines via modified tandem aza-Payne/hydroamination pathway.","Organic letters","2012","14","14","3592","3595","10.1021/ol301204w","","x-ray","0.71073","MoKα","","0.0787","0.0588","","","0.1564","0.1708","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508281","9.2607","0.0009","10.5798","0.0011","20.273","0.002","90","","90","","90","","1986.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O2 S -","- C19 H28 N2 O2 S -","- C76 H112 N8 O8 S4 -","4","1","","Lin, Hua; Tan, Yu; Sun, Xing-Wen; Lin, Guo-Qiang","Highly Efficient Asymmetric Synthesis of Enantiopure Dihydro-1,2-oxazines: Dual-Organocatalyst-Promoted Asymmetric Cascade Reaction.","Organic letters","2012","14","15","3818","3821","10.1021/ol301218x","","","0.71073","MoKα","","0.0397","0.0332","","","0.0833","0.0889","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508282","13.792","0.006","11.557","0.005","16.464","0.007","90","","105.732","0.005","90","","2526","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 S -","- C31 H27 N O3 S -","- C124 H108 N4 O12 S4 -","4","1","","Wang, Linfei; Fan, Renhua","Divergent construction of nitrogen-containing polycyclic compounds with a dearomatization strategy.","Organic letters","2012","14","14","3596","3599","10.1021/ol301282p","","","0.71073","MoKα","","0.0795","0.051","","","0.137","0.1548","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508283","12.735","0.005","14.681","0.005","15.443","0.006","90","","103.359","0.005","90","","2809.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N O5 S -","- C32 H32 N O5 S -","- C128 H128 N4 O20 S4 -","4","1","","Wang, Linfei; Fan, Renhua","Divergent construction of nitrogen-containing polycyclic compounds with a dearomatization strategy.","Organic letters","2012","14","14","3596","3599","10.1021/ol301282p","","","0.71073","MoKα","","0.1024","0.0496","","","0.1106","0.1267","","","","","","0.833","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508284","7.14747","0.0001","15.2642","0.0002","19.1468","0.0003","90","","90","","90","","2088.92","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 B O5 -","- C25 H21 B O5 -","- C100 H84 B4 O20 -","4","1","","Husain, Syed Masood; Schätzle, Michael A; Röhr, Caroline; Lüdeke, Steffen; Müller, Michael","Biomimetic asymmetric synthesis of (R)-GTRI-02 and (3S,4R)-3,4-dihydroxy-3,4-dihydronaphthalen-1(2H)-ones.","Organic letters","2012","14","14","3600","3603","10.1021/ol301305p","","","0.7107","MoKα","","0.0682","0.0428","","","0.1032","0.1101","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508285","7.8075","0.0007","11.0061","0.001","16.7006","0.0015","90","","101.069","0.0014","90","","1408.4","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cyclopentanone","Cyclopentanone","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Truong, Phong; Shanahan, Charles S.; Doyle, Michael P.","Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones.","Organic letters","2012","14","14","3608","3611","10.1021/ol301317a","","","0.71073","MoKα","","0.0387","0.0363","","","0.073","0.0742","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508286","6.5631","0.0004","9.7944","0.0006","11.1236","0.0006","70.3642","0.0007","83.1234","0.0008","71.5902","0.0007","638.92","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","organic compound","","- C14 H16 O5 -","- C14 H16 O5 -","- C28 H32 O10 -","2","1","","Truong, Phong; Shanahan, Charles S.; Doyle, Michael P.","Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones.","Organic letters","2012","14","14","3608","3611","10.1021/ol301317a","","","0.71073","MoKα","","0.0389","0.0362","","","0.0707","0.0716","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508287","8.472","0.011","14.485","0.018","15.543","0.02","68.44","0.011","79.441","0.013","74.597","0.012","1702","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H47 N O7 -","- C37 H47 N O7 -","- C74 H94 N2 O14 -","2","1","","Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua","Total synthesis of (-)-FR901483.","Organic letters","2012","14","14","3604","3607","10.1021/ol301331t","","","0.71073","MoKα","","0.1418","0.0666","","","0.17","0.2246","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508288","10.608","0.006","11.553","0.006","12.532","0.007","90","","99.67","0.005","90","","1514","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C66 H74 N6 O8 -","2","1","","Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua","Total synthesis of (-)-FR901483.","Organic letters","2012","14","14","3604","3607","10.1021/ol301331t","","","0.71073","MoKα","","0.0919","0.0521","","","0.1121","0.1348","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508289","8.798","0.002","11.027","0.003","30.298","0.007","90","","90","","90","","2939.4","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C132 H148 N12 O16 -","4","1","","Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua","Total synthesis of (-)-FR901483.","Organic letters","2012","14","14","3604","3607","10.1021/ol301331t","","","0.71073","MoKα","","0.1322","0.0581","","","0.1113","0.1383","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508290","15.4952","0.0006","19.4413","0.0008","13.8414","0.0006","90","","107.301","0.001","90","","3981","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C176 H168 N8 O32 S8 -","8","1","","Chen, Bo; Fan, Wu; Chai, Guobi; Ma, Shengming","Electronic effect directed Au(I)-catalyzed cyclic C2-H bond functionalization of 3-allenylindoles.","Organic letters","2012","14","14","3616","3619","10.1021/ol301408g","","","0.71073","MoKα","","0.0404","0.0362","","","0.095","0.0988","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508291","13.7042","0.0006","9.7308","0.0005","14.7628","0.0008","90","","96.649","0.002","90","","1955.42","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Fu, Tsung-Hao; McElroy, William T.; Shamszad, Mariam; Martin, Stephen F.","Formal syntheses of naturally occurring welwitindolinones.","Organic letters","2012","14","15","3834","3837","10.1021/ol301424h","","","0.71073","MoKα","","0.0903","0.046","","","0.0994","0.114","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508292","41.6679","0.0013","6.9812","0.0002","12.1463","0.0003","90","","92.385","0.002","90","","3530.2","0.17","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 N4 O2 -","- C44 H48 N4 O2 -","- C176 H192 N16 O8 -","4","0.5","","Bhargava Rao, Billa; Wei, Jun-Ru; Lin, Chih-Hsiu","New synthetic routes to Z-shape functionalized perylenes.","Organic letters","2012","14","14","3640","3643","10.1021/ol3014667","","","0.71073","MoKα","","0.0548","0.0426","","","0.1089","0.1248","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508293","35.4603","0.0002","35.4603","0.0002","25.4746","0.0002","90","","90","","120","","27741","0.3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C71.33 H53 F6 O0.33 P3 Ru -","- C71.3333 H53 F6 O0.333333 P3 Ru -","- C1284 H954 F108 O6 P54 Ru18 -","18","1","","Ma, Hao-Wei; Lin, Ying-Chih; Huang, Shou-Ling","Sequential allenylidene/vinylidene cyclization for stereoselective construction of bicyclic carbocycles from propargyl alcohol.","Organic letters","2012","14","15","3846","3849","10.1021/ol301493n","","","0.71073","MoKα","","0.0622","0.0528","","","0.1625","0.1748","","","","","","1.176","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508294","10.2613","0.0006","14.1399","0.001","16.2722","0.0009","90","","90","","90","","2361","0.3","147","2","147","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 O -","- C32 H32 O -","- C128 H128 O4 -","4","1","","Liu, Hongqiang; El-Salfiti, Mohamed; Chai, David I.; Auffret, Jérémy; Lautens, Mark","Modular and stereoselective synthesis of tetrasubstituted helical alkenes via a palladium-catalyzed domino reaction.","Organic letters","2012","14","14","3648","3651","10.1021/ol301495q","","","1.54178","CuKα","","0.0403","0.0376","","","0.0921","0.094","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508295","9.6278","0.0003","9.946","0.0003","11.6593","0.0004","98.774","0.002","99.335","0.002","110.505","0.001","1005.06","0.06","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O2 -","- C26 H27 N O2 -","- C52 H54 N2 O4 -","2","1","","Liu, Hongqiang; El-Salfiti, Mohamed; Chai, David I.; Auffret, Jérémy; Lautens, Mark","Modular and stereoselective synthesis of tetrasubstituted helical alkenes via a palladium-catalyzed domino reaction.","Organic letters","2012","14","14","3648","3651","10.1021/ol301495q","","","1.54178","CuKα","","0.0508","0.0493","","","0.1305","0.132","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508296","7.0493","0.0017","7.9236","0.0015","16.025","0.002","87.014","0.013","84.846","0.015","63.64","0.02","798.7","0.3","153.05","0.1","153.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 F2 S2 Si2 -","- C34 H36 F2 S2 Si2 -","- C34 H36 F2 S2 Si2 -","1","0.5","","Lehnherr, Dan; Waterloo, Andreas R.; Goetz, Katelyn P.; Payne, Marcia M.; Hampel, Frank; Anthony, John E.; Jurchescu, Oana D.; Tykwinski, Rik R.","Isomerically pure syn-anthradithiophenes: synthesis, properties, and FET performance.","Organic letters","2012","14","14","3660","3663","10.1021/ol301503k","","","1.5418","CuKα","","0.0476","0.0382","","","0.097","0.1042","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508297","7.5855","0.0007","8.1701","0.0008","16.2295","0.0012","100.99","0.007","92.32","0.007","98.594","0.008","973.81","0.15","172.9","","172.9","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 F2 S2 Si2 -","- C40 H48 F2 S2 Si2 -","- C40 H48 F2 S2 Si2 -","1","0.5","","Lehnherr, Dan; Waterloo, Andreas R.; Goetz, Katelyn P.; Payne, Marcia M.; Hampel, Frank; Anthony, John E.; Jurchescu, Oana D.; Tykwinski, Rik R.","Isomerically pure syn-anthradithiophenes: synthesis, properties, and FET performance.","Organic letters","2012","14","14","3660","3663","10.1021/ol301503k","","","1.5418","CuKα","","0.0823","0.0712","","","0.1944","0.2083","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508298","9.1549","0.0003","10.2793","0.0003","14.5581","0.0004","79.6984","0.0003","77.6664","0.0003","69.1243","0.0003","1242.59","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br2 O7 S2 -","- C24 H24 Br2 O7 S2 -","- C48 H48 Br4 O14 S4 -","2","1","","Lehnherr, Dan; Waterloo, Andreas R.; Goetz, Katelyn P.; Payne, Marcia M.; Hampel, Frank; Anthony, John E.; Jurchescu, Oana D.; Tykwinski, Rik R.","Isomerically pure syn-anthradithiophenes: synthesis, properties, and FET performance.","Organic letters","2012","14","14","3660","3663","10.1021/ol301503k","","","0.71073","MoKα","","0.0264","0.0236","","","0.061","0.0623","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508299","8.6724","0.0012","12.418","0.002","11.9146","0.0016","90","","103.379","0.005","90","","1248.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl O -","- C15 H15 Cl O -","- C60 H60 Cl4 O4 -","4","1","","Ayala, Caitlan E.; Villalpando, Andres; Nguyen, Alex L.; McCandless, Gregory T.; Kartika, Rendy","Chlorination of aliphatic primary alcohols via triphosgene-triethylamine activation.","Organic letters","2012","14","14","3676","3679","10.1021/ol301520d","","","1.54184","CuKα","","0.0514","0.0389","","","0.0989","0.1051","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508300","5.7947","0.0013","8.725","0.003","15.227","0.003","102.201","0.015","96.988","0.014","105.02","0.02","714","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 Cl O -","- C17 H19 Cl O -","- C34 H38 Cl2 O2 -","2","1","","Ayala, Caitlan E.; Villalpando, Andres; Nguyen, Alex L.; McCandless, Gregory T.; Kartika, Rendy","Chlorination of aliphatic primary alcohols via triphosgene-triethylamine activation.","Organic letters","2012","14","14","3676","3679","10.1021/ol301520d","","","0.71073","MoKα","","0.0445","0.0347","","","0.0973","0.104","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508301","9.7758","0.0003","22.9743","0.0008","24.7453","0.0009","90","","90","","90","","5557.6","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N2 O4 S2 -","- C32 H28 N2 O4 S2 -","- C256 H224 N16 O32 S16 -","8","1","","Mo, Juntae; Eom, Dahan; Lee, Euichul; Lee, Phil Ho","Hybrid system of metal/Brønsted acid relay catalysis for the intramolecular double hydroarylation and cationic cyclization of diyne diethers and diamines.","Organic letters","2012","14","14","3684","3687","10.1021/ol301522y","","","0.71073","MoKα","","0.1029","0.0586","","","0.1398","0.1621","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508302","12.045","0.005","12.17","0.005","18.967","0.008","74.718","0.004","73.818","0.004","89.647","0.004","2569","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 I2 O Si -","- C22 H40 I2 O Si -","- C88 H160 I8 O4 Si4 -","4","2","","Zhang, Guo-Biao; Wang, Fang-Xin; Du, Ji-Yuan; Qu, Hu; Ma, Xiao-Yan; Wei, Meng-Xue; Wang, Cheng-Tao; Li, Qiong; Fan, Chun-An","Toward the total synthesis of palhinine A: expedient assembly of multifunctionalized isotwistane ring system with contiguous quaternary stereocenters.","Organic letters","2012","14","14","3696","3699","10.1021/ol301534r","","","0.71073","MoKα","","0.1786","0.0728","","","0.1534","0.2092","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508303","11.025","0.011","11.69","0.011","13.63","0.013","69.352","0.011","74.86","0.011","67.864","0.011","1506","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H52 O4 Si2 -","- C27 H52 O4 Si2 -","- C54 H104 O8 Si4 -","2","1","","Zhang, Guo-Biao; Wang, Fang-Xin; Du, Ji-Yuan; Qu, Hu; Ma, Xiao-Yan; Wei, Meng-Xue; Wang, Cheng-Tao; Li, Qiong; Fan, Chun-An","Toward the total synthesis of palhinine A: expedient assembly of multifunctionalized isotwistane ring system with contiguous quaternary stereocenters.","Organic letters","2012","14","14","3696","3699","10.1021/ol301534r","","","0.71073","MoKα","","0.2678","0.1327","","","0.0978","0.1144","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508304","10.2542","0.0002","14.2847","0.0003","13.2826","0.0004","90","","96.513","0.002","90","","1933.05","0.08","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br N2 O3 -","- C22 H21 Br N2 O3 -","- C88 H84 Br4 N8 O12 -","4","1","","Han, Yan-Yan; Han, Wen-Yong; Hou, Xue; Zhang, Xiao-Mei; Yuan, Wei-Cheng","FeCl(3)-Catalyzed Stereoselective Construction of Spirooxindole Tetrahydroquinolines via Tandem 1,5-Hydride Transfer/Ring Closure.","Organic letters","2012","14","16","4054","4057","10.1021/ol301559k","","","0.71073","MoKα","","0.0496","0.0342","","","0.0808","0.087","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508305","8.2059","0.0013","8.9224","0.0012","10.4898","0.0016","86.679","0.012","81.307","0.013","75.039","0.012","733.32","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O4 S -","- C13 H18 N2 O4 S -","- C26 H36 N4 O8 S2 -","2","1","","Rit, Raja K.; Yadav, M. Ramu; Sahoo, Akhila K.","Pd(II)-catalyzed primary-C(sp3)-H acyloxylation at room temperature.","Organic letters","2012","14","14","3724","3727","10.1021/ol301579q","","","0.71073","MoKα","","0.0478","0.0386","","","0.104","0.1076","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508306","7.9705","0.0016","15.394","0.003","12.527","0.003","90","","94.37","0.03","90","","1532.6","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 B Cl F4 N S2 -","- C12 H15 B Cl F4 N S2 -","- C48 H60 B4 Cl4 F16 N4 S8 -","4","1","","Ziyaei Halimehjani, Azim; Hajiloo Shayegan, Mojtaba; Hashemi, Mohammad Mahmoodi; Notash, Behrooz","Investigation of the reaction of dithiocarbamic Acid salts with aromatic aldehydes.","Organic letters","2012","14","15","3838","3841","10.1021/ol301598u","","","0.71073","MoKα","","0.0843","0.0542","","","0.0856","0.0931","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508307","38.5256","0.0008","5.8558","0.0001","17.9538","0.0004","90","","113.551","0.003","90","","3712.97","0.15","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C21 H18 O4 S2 -","- C21 H18 O4 S2 -","- C168 H144 O32 S16 -","8","2","","Orue, Ane; Reyes, Efraím; Vicario, Jose L.; Carrillo, Luisa; Uria, Uxue","Enantio- and diastereoselective synthesis of substituted tetrahydro-1H-isochromanes through a dynamic kinetic resolution proceeding under dienamine catalysis.","Organic letters","2012","14","14","3740","3743","10.1021/ol301602h","","x-ray","1.54184","CuKα","","0.0413","0.0393","","","0.0983","0.1003","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508308","6.2191","0.0005","14.7673","0.0011","19.2467","0.0017","70.958","0.003","78.593","0.003","85.754","0.002","1637.8","0.2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.4 H44.8 Cl0.8 O2 -","- C40.4 H44.8 Cl0.8 O2 -","- C80.8 H89.6 Cl1.6 O4 -","2","1","","Matsumura, Daiki; Kitazawa, Kentaroh; Terai, Seiya; Kochi, Takuya; Ie, Yutaka; Nitani, Masashi; Aso, Yoshio; Kakiuchi, Fumitoshi","Short synthesis of alkyl-substituted acenes using carbonyl-directed C-h and C-o functionalization.","Organic letters","2012","14","15","3882","3885","10.1021/ol301608m","","","0.71075","MoKα","","0.1189","0.0627","","","0.1679","0.2316","","","","","","1.112","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508309","4.6748","0.0005","14.5081","0.0017","24.325","0.003","90","","90","","90","","1649.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C72 H52 Br4 N8 O4 -","4","1","","Gao, Kai; Wu, Bo; Yu, Chang-Bin; Chen, Qing-An; Ye, Zhi-Shi; Zhou, Yong-Gui","Iridium catalyzed asymmetric hydrogenation of cyclic imines of benzodiazepinones and benzodiazepines.","Organic letters","2012","14","15","3890","3893","10.1021/ol301620z","","","0.71073","MoKα","","0.0784","0.0608","","","0.1545","0.1634","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508310","5.885","0.005","7.453","0.007","17.08","0.017","90","","90.927","0.012","90","","749","1.2","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","1","","Mamada, Masashi; Minamiki, Tsukuru; Katagiri, Hiroshi; Tokito, Shizuo","Synthesis, Physical Properties, and Field-Effect Mobility of Isomerically Pure syn-/anti-Anthradithiophene Derivatives.","Organic letters","2012","14","16","4062","4065","10.1021/ol301626u","","","0.71075","MoKα","","0.0713","0.0528","","","0.1283","0.1401","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508311","14.175","0.007","7.407","0.004","7.026","0.003","90","","99.317","0.007","90","","728","0.6","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","0.5","","Mamada, Masashi; Minamiki, Tsukuru; Katagiri, Hiroshi; Tokito, Shizuo","Synthesis, Physical Properties, and Field-Effect Mobility of Isomerically Pure syn-/anti-Anthradithiophene Derivatives.","Organic letters","2012","14","16","4062","4065","10.1021/ol301626u","","","0.71075","MoKα","","0.0373","0.0345","","","0.0938","0.0959","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508312","28.605","0.0019","16.6826","0.0011","15.5685","0.001","90","","116.439","0.001","90","","6652.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34.5 H29 Cl3 N1.5 O6 -","- C34.5 H29 Cl3 N1.5 O6 -","- C276 H232 Cl24 N12 O48 -","8","2","","Zhong, Fangrui; Chen, Guo-Ying; Han, Xiaoyu; Yao, Weijun; Lu, Yixin","Asymmetric construction of functionalized bicyclic imides via [3 + 2] annulation of MBH carbonates catalyzed by dipeptide-based phosphines.","Organic letters","2012","14","14","3764","3767","10.1021/ol301647g","","","0.71073","MoKα","","0.0865","0.073","","","0.1901","0.2006","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508313","7.6877","0.0003","18.9804","0.0006","12.6305","0.0004","90","","91.18","0.02","90","","1842.6","0.11","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-(4-Nitrophenyl)-4-phenyl-1H-pyrrol-3-yl)pyridinium bromide","","- C21 H16 Br N3 O2 -","- C21 H16 Br N3 O2 -","- C84 H64 Br4 N12 O8 -","4","1","","Khlebnikov, Alexander F.; Golovkina, Maria V.; Novikov, Mikhail S.; Yufit, Dmitry S.","A novel strategy for the synthesis of 3-(N-heteryl)pyrrole derivatives.","Organic letters","2012","14","14","3768","3771","10.1021/ol3016594","","x-ray","0.71073","MoKα","K-L~3~","0.0393","0.0286","","","0.0709","0.0758","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508314","25.2498","0.0008","8.5555","0.0003","19.2815","0.0006","90","","111.345","0.01","90","","3879.6","0.3","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,4-Diphenyl-1H-pyrrol-3-yl)-2-methylpyridinium bromide","","- C22.5 H18 Br N2 O -","- C22.5 H18 Br N2 O -","- C180 H144 Br8 N16 O8 -","8","1","","Khlebnikov, Alexander F.; Golovkina, Maria V.; Novikov, Mikhail S.; Yufit, Dmitry S.","A novel strategy for the synthesis of 3-(N-heteryl)pyrrole derivatives.","Organic letters","2012","14","14","3768","3771","10.1021/ol3016594","","x-ray","0.71073","MoKα","K-L~3~","0.1018","0.0835","","","0.1538","0.1619","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508315","9.5612","0.0004","10.789","0.0005","12.4446","0.0005","85.831","0.002","70.146","0.002","67.185","0.002","1110.38","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-(2,4,5-Triphenyl-1H-pyrrol-3-yl)pyridinium bromide","","- C27 H23 Br N2 O -","- C27 H23 Br N2 O -","- C54 H46 Br2 N4 O2 -","2","1","","Khlebnikov, Alexander F.; Golovkina, Maria V.; Novikov, Mikhail S.; Yufit, Dmitry S.","A novel strategy for the synthesis of 3-(N-heteryl)pyrrole derivatives.","Organic letters","2012","14","14","3768","3771","10.1021/ol3016594","","x-ray","1.54178","CuKα","K-L~3~","0.0592","0.046","","","0.1165","0.1248","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508316","8.5504","0.0007","10.5045","0.0008","11.721","0.0011","66.32","0.008","75.505","0.008","84.878","0.007","933.35","0.15","120","","120","","","","","","","","","4","P -1","-P 1","2","","1-(2-(4-methoxy)-4-phenyl-1H-pyrrol-3-yl)piridinium hydrocarbonate","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C46 H40 N4 O8 -","2","1","","Khlebnikov, Alexander F.; Golovkina, Maria V.; Novikov, Mikhail S.; Yufit, Dmitry S.","A novel strategy for the synthesis of 3-(N-heteryl)pyrrole derivatives.","Organic letters","2012","14","14","3768","3771","10.1021/ol3016594","","","0.7107","MoKα","Mo","0.0922","0.0571","","","0.0972","0.1156","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508317","15.0916","0.0008","15.9436","0.0005","15.3361","0.0008","90","","113.493","0.002","90","","3384.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N O3 S Si -","- C38 H37 N O3 S Si -","- C152 H148 N4 O12 S4 Si4 -","4","1","","Kang, Dongjin; Park, Sangjune; Ryu, Taekyu; Lee, Phil Ho","Gold-catalyzed hydrosilyloxylation driving tandem aldol and mannich reactions.","Organic letters","2012","14","15","3912","3915","10.1021/ol301660f","","","0.71073","MoKα","","0.1303","0.0577","","","0.1108","0.1341","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508318","25.324","0.011","25.324","","5.877","0.003","90","","90","","120","","3264","2","273","2","273","2","","","","","","","","3","P 62","P 62","171","","","","- C31 H24 O -","- C31 H24 O -","- C186 H144 O6 -","6","1","","Rivera-Fuentes, Pablo; Rekowski, Margarete von Wantoch; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Cascade Carbopalladation Reaction between Alkynes and gem-Dibromoolefins: Facile Access to Monoannelated Pentalenes.","Organic letters","2012","14","16","4066","4069","10.1021/ol301670d","","","1.54178","CuKα","","0.0991","0.0599","","","0.1224","0.1367","","","","","","1.092","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1508319","10.6839","0.0003","23.5559","0.0007","10.7016","0.0003","90","","115.201","0.001","90","","2436.91","0.12","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 -","- C36 H26 -","- C144 H104 -","4","1","","Rivera-Fuentes, Pablo; Rekowski, Margarete von Wantoch; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Cascade Carbopalladation Reaction between Alkynes and gem-Dibromoolefins: Facile Access to Monoannelated Pentalenes.","Organic letters","2012","14","16","4066","4069","10.1021/ol301670d","","","0.71073","MoKα","","0.0529","0.0394","","","0.101","0.1059","","","","","","1.364","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508320","9.8919","0.0013","19.91","0.003","21.435","0.003","90","","99.567","0.007","90","","4162.9","1","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H16 Cl2 F6 Li O2 P -","- C73 H16 Cl2 F6 Li O2 P -","- C292 H64 Cl8 F24 Li4 O8 P4 -","4","1","","Matsuo, Yutaka; Okada, Hiroshi; Maruyama, Masashi; Sato, Hiroyasu; Tobita, Hiromi; Ono, Yoshihiro; Omote, Kenji; Kawachi, Kazuhiko; Kasama, Yasuhiko","Covalently chemical modification of lithium ion-encapsulated fullerene: synthesis and characterization of [Li+@PCBM]PF6(-).","Organic letters","2012","14","14","3784","3787","10.1021/ol301671n","","","1.54187","CuKα","","","0.2449","","","","0.5918","","","","","","2.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508321","9.639","0.004","10.137","0.004","31.136","0.013","90","","94.509","0.009","90","","3033","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 O7 -","- C30 H52 O7 -","- C120 H208 O28 -","4","1","","Yang, Peng; Li, Pei-Fang; Qu, Jin; Tang, Liang-Fu","Two concise enantioselective total syntheses of (-)-glabrescol implicate alternative biosynthetic pathways starting from squalene.","Organic letters","2012","14","15","3932","3935","10.1021/ol3016836","","","0.71073","MoKα","","0.0769","0.0483","","","0.0907","0.1019","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508322","17.9165","0.0005","16.5501","0.0004","22.8972","0.0006","90","","101.726","0.001","90","","6647.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H67 Cl3 N6 O16 -","- C69 H67 Cl3 N6 O16 -","- C276 H268 Cl12 N24 O64 -","4","1","","Thiampanya, Preecha; Muangsin, Nongnuj; Pulpoka, Buncha","Azocalix[4]arene Strapped Calix[4]pyrrole: A Confirmable Fluoride Sensor.","Organic letters","2012","14","16","4050","4053","10.1021/ol301684r","","","0.71073","MoKα","","0.1697","0.0865","","","0.2447","0.3053","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508323","10.9299","0.0018","11.1414","0.0018","18.327","0.003","90","","102.618","0.003","90","","2177.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C112 H108 N4 O8 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.095","0.0654","","","0.1741","0.1982","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508324","7.3571","0.0005","8.4928","0.0005","40.015","0.003","90","","94.176","0.002","90","","2493.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.0798","0.0508","","","0.1191","0.1331","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508325","9.638","0.0004","13.6417","0.0006","16.0487","0.0008","90","","105.381","0.002","90","","2034.49","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O2 S2 -","- C24 H23 N O2 S2 -","- C96 H92 N4 O8 S8 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.0602","0.0433","","","0.1091","0.1217","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508326","8.0912","0.0006","21.4653","0.0015","12.8879","0.0009","90","","97.626","0.004","90","","2218.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N O2 -","- C29 H29 N O2 -","- C116 H116 N4 O8 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.0601","0.0422","","","0.0998","0.1117","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508327","19.434","0.0008","10.8561","0.0004","11.237","0.0004","90","","105.689","0.001","90","","2282.43","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C112 H112 O16 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.0584","0.0406","","","0.0943","0.1056","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508328","10.27","0.002","10.974","0.002","11.981","0.003","89.852","0.003","64.82","0.003","66.824","0.003","1101.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C56 H54 N2 O4 -","2","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.2344","0.1041","","","0.1427","0.1765","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508329","15.927","0.004","10.8801","0.0017","17.331","0.004","90","","90.31","0.02","90","","3003.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N2 O3 P -","- C13 H17 N2 O3 P -","- C104 H136 N16 O24 P8 -","8","2","","Kumar, Rahul; Verma, Deepti; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","One-pot, two-step conversion of aldehydes to phosphonyl- and sulfonylpyrazoles using Bestmann-Ohira reagent","Organic Letters","2012","14","16","4070","4073","10.1021/ol301695e","","","0.71073","MoKα","","0.1633","0.0433","","","0.0715","0.0867","","","","","","0.686","","","","has coordinates","218618","2020-10-21","18:00:00",""
"1508330","15.563","0.007","5.224","0.003","32.605","0.015","90","","90","","90","","2651","2","203","2","203","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C112 H144 O32 -","8","2","","Han, Xun; Floreancig, Paul E.","Synthesis of bridged inside-outside bicyclic ethers through oxidative transannular cyclization reactions.","Organic letters","2012","14","14","3808","3811","10.1021/ol301720u","","","0.71073","MoKα","","0.0589","0.0426","","","0.1184","0.1303","","","","","","0.877","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508331","11.1066","0.0001","8.9337","0.0001","13.772","0.0002","90","","100.615","0.001","90","","1343.11","0.03","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C60 H96 O8 -","2","1","","Wang, Cun-Qin; Wang, Lei; Fan, Chun-Lin; Zhang, Dong-Mei; Huang, Xiao-Jun; Jiang, Ren-Wang; Bai, Liang-Liang; Shi, Jun-Min; Wang, Ying; Ye, Wen-Cai","Ilelic Acids A and B, Two Unusual Triterpenes with a Seven-Membered Ring from Ilex latifolia.","Organic letters","2012","14","16","4102","4105","10.1021/ol301745b","","","1.54178","CuKα","","0.0508","0.0496","","","0.131","0.1329","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508332","9.0768","0.0004","25.8843","0.0013","14.4348","0.0007","90","","95.905","0.001","90","","3373.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","2","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0718","0.0488","","","0.1158","0.1295","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508333","8.0652","0.0008","10.5023","0.001","20.722","0.002","90","","93.013","0.002","90","","1752.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0652","0.0488","","","0.1162","0.1256","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508334","11.435","0.006","6.33","0.004","12.887","0.007","90","","105.373","0.011","90","","899.4","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0791","0.0643","","","0.1511","0.1614","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508335","9.5516","0.001","9.6932","0.001","13.1354","0.0013","71.896","0.002","82.514","0.002","86.686","0.002","1145.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C60 H50 N2 O4 -","2","1","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0775","0.0613","","","0.1585","0.1716","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508336","15.423","0.004","9.935","0.002","17.829","0.005","90","","105.284","0.003","90","","2635.3","1.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Cl Cu N3 -","- C27 H37 Cl Cu N3 -","- C108 H148 Cl4 Cu4 N12 -","4","1","","Inomata, Hiroshi; Ogata, Kenichi; Fukuzawa, Shin-Ichi; Hou, Zhaomin","Direct C-H Carboxylation with Carbon Dioxide Using 1,2,3-Triazol-5-ylidene Copper(I) Complexes.","Organic letters","2012","14","15","3986","3989","10.1021/ol301760n","","","0.7107","MoKα","","","0.0543","","","","0.1052","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508337","5.6722","0.0006","8.1511","0.0009","14.9077","0.0017","102.962","0.001","94.38","0.001","93.876","0.001","667.18","0.13","173","2","173","2","","","","","","","","6","P 1","P 1","1","12090a","","","- C24 H34 Br Cl N4 O7 -","- C24 H34 Br Cl N4 O7 -","- C24 H34 Br Cl N4 O7 -","1","1","","Kopina, Brett J.; Lauhon, Charles T.","Efficient preparation of 2,4-diaminopyrimidine nucleosides: total synthesis of lysidine and agmatidine.","Organic letters","2012","14","16","4118","4121","10.1021/ol301769j","","","0.71073","MoKα","","0.044","0.0369","","","0.0752","0.0787","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508338","12.676","0.015","7.391","0.008","13.835","0.016","90","","106.529","0.01","90","","1243","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Lang, Rui; Shi, Lijun; Li, Dengfeng; Xia, Chungu; Li, Fuwei","A general method for palladium-catalyzed direct carbonylation of indole with alcohol and phenol.","Organic letters","2012","14","16","4130","4133","10.1021/ol3017726","","","0.71073","MoKα","","0.0717","0.041","","","0.0842","0.0961","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508339","9.717","0.005","12.451","0.006","15.602","0.008","90","","103.725","0.004","90","","1833.7","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Lang, Rui; Shi, Lijun; Li, Dengfeng; Xia, Chungu; Li, Fuwei","A general method for palladium-catalyzed direct carbonylation of indole with alcohol and phenol.","Organic letters","2012","14","16","4130","4133","10.1021/ol3017726","","","0.71073","MoKα","","0.0883","0.0459","","","0.1091","0.131","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508340","7.409","0.004","11.119","0.006","11.366","0.007","62.273","0.004","72.327","0.005","81.717","0.005","789.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C36 H44 N4 O4 -","2","1","","Lang, Rui; Shi, Lijun; Li, Dengfeng; Xia, Chungu; Li, Fuwei","A general method for palladium-catalyzed direct carbonylation of indole with alcohol and phenol.","Organic letters","2012","14","16","4130","4133","10.1021/ol3017726","","","0.71073","MoKα","","0.0652","0.0444","","","0.1023","0.1131","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508341","20.6019","0.0014","7.0886","0.0005","32.075","0.003","90","","90","","90","","4684.2","0.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 N7 O7 -","- C22 H27 N7 O7 -","- C176 H216 N56 O56 -","8","2","","Dyablo, Olga V.; Shmoilova, Elena A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Burov, Oleg N.; Starikova, Zoya A.","4,5-Bis(dimethylamino)quinolines: Proton Sponge versus Azine Behavior.","Organic letters","2012","14","16","4134","4137","10.1021/ol301777s","","","0.71073","MoKα","","0.0802","0.0535","","","0.0911","0.1015","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508342","17.4712","0.0013","6.955","0.0005","19.6475","0.0014","90","","108.812","0.002","90","","2259.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N6 O8 -","- C21 H26 N6 O8 -","- C84 H104 N24 O32 -","4","1","","Dyablo, Olga V.; Shmoilova, Elena A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Burov, Oleg N.; Starikova, Zoya A.","4,5-Bis(dimethylamino)quinolines: Proton Sponge versus Azine Behavior.","Organic letters","2012","14","16","4134","4137","10.1021/ol301777s","","","0.71073","MoKα","","0.1187","0.0562","","","0.0863","0.1045","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508343","6.0667","0.0001","14.0644","0.0003","36.6","0.0008","90","","90","","90","","3122.88","0.11","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O3 S -","- C15 H16 Cl N O3 S -","- C120 H128 Cl8 N8 O24 S8 -","8","2","","Jackowski, Olivier; Wang, Jianping; Xie, Xiaomin; Ayad, Tahar; Zhang, Zhaoguo; Ratovelomanana-Vidal, Virginie","Enantioselective Rhodium-Catalyzed Synthesis of α-Chloromethylene-γ-Butyrolactams from N-Allylic Alkynamides.","Organic letters","2012","14","15","4006","4009","10.1021/ol3017935","","","1.54178","CuKα","","0.0246","0.0241","","","0.0653","0.0657","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508344","13.593","0.003","14.451","0.004","15.435","0.004","105.313","0.005","91.45","0.004","91.371","0.004","2921.9","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H29 Cl9 N2 O4.16 -","- C82 H29 Cl9 N2 O4.155 -","- C164 H58 Cl18 N4 O8.31 -","2","1","","Liu, Shuming; Zhang, Qianyan; Yu, Yuming; Gan, Liangbing","Head-to-Tail and Back-to-Back Dimerization of an Open-Cage Fullerene Derivative through π-π Interaction-Based Self-Assembly.","Organic letters","2012","14","15","4002","4005","10.1021/ol301811p","","","0.71073","MoKα","","0.1013","0.0883","","","0.2021","0.2108","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508345","11.8868","0.0003","16.5086","0.0005","14.6931","0.0004","90","","92.554","0.001","90","","2880.43","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H27 N O2 -","- C40 H27 N O2 -","- C160 H108 N4 O8 -","4","1","","Frigoli, Michel; Maurel, Francois; Berthet, Jérôme; Delbaere, Stéphanie; Marrot, Jérôme; Oliveira, Maria M.","The Control of Photochromism of [3H]-Naphthopyran Derivatives with Intramolecular CH-π Bonds.","Organic letters","2012","14","16","4150","4153","10.1021/ol301812e","","","0.71073","MoKα","","0.1303","0.1147","","","0.2591","0.2754","","","","","","1.417","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508346","7.3411","0.0003","8.1629","0.0003","18.5968","0.0008","90","","90","","90","","1114.41","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Kabro, Anzhelika; Escudero-Adán, Eduardo C; Grushin, Vladimir V.; van Leeuwen, Piet W. N. M.","Biomass conversion to high value chemicals: from furfural to chiral hydrofuroins in two steps.","Organic letters","2012","14","15","4014","4017","10.1021/ol3018402","","","0.71073","MoKα","","0.0368","0.033","","","0.0886","0.0916","","","","","","1.137","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508347","12.635","0.005","12.882","0.005","14.664","0.006","100.107","0.009","93.769","0.009","107.794","0.01","2219.1","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,8-bis((triisopropylsilyl)ethynyl)-6,13-dihydro-5,6,7,12,13,14-hexaazapentacene","","- C38 H50 N6 Si2 -","- C38 H50 N6 Si2 -","- C76 H100 N12 Si4 -","2","1","","He, Zikai; Mao, Renxin; Liu, Danqing; Miao, Qian","Highly electron-deficient hexaazapentacenes and their dihydro precursors.","Organic letters","2012","14","16","4190","4193","10.1021/ol301854z","","","0.71073","MoKα","","0.2634","0.0817","","","0.1702","0.2238","","","","","","0.755","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508348","9.048","0.014","12.658","0.018","17.48","0.03","92.57","0.03","94.61","0.03","101.66","0.03","1950","5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,4-bis((triisopropylsilyl)ethynyl)-6,13-dihydro-5,6,7,12,13,14-hexaazapentacene","","- C38 H50 N6 Si2 -","- C38 H50 N6 Si2 -","- C76 H100 N12 Si4 -","2","1","","He, Zikai; Mao, Renxin; Liu, Danqing; Miao, Qian","Highly electron-deficient hexaazapentacenes and their dihydro precursors.","Organic letters","2012","14","16","4190","4193","10.1021/ol301854z","","","0.71073","MoKα","","0.1284","0.0789","","","0.2001","0.2336","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508349","12.369","0.005","19.662","0.005","11.036","0.005","90","","108.049","0.005","90","","2551.9","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N2 O3 -","- C13 H13 N2 O3 -","- C104 H104 N16 O24 -","8","2","","Wei, Ying; Lin, Shaoxia; Liang, Fushun","One-pot cascade leading to direct α-imidation of ketones by a combination of N-bromosuccinimide and 1,8-diazabicyclo[5.4.1]undec-7-ene","Organic Letters","2012","14","16","4202","4205","10.1021/ol301871s","","","0.71069","MoKα","","0.0929","0.0533","","","0.1306","0.1566","","","","","","0.983","","","","has coordinates","218616","2020-10-21","18:00:00",""
"1508350","9.172","0.007","13.126","0.008","13.778","0.01","63.86","0.02","84.84","0.05","78.89","0.04","1461.2","1.8","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Cl2 Fe N3 O2 -","- C33 H31 Cl2 Fe N3 O2 -","- C66 H62 Cl4 Fe2 N6 O4 -","2","1","","Ogata, Kenichi; Ohashi, Itsuki; Fukuzawa, Shin-Ichi","Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes.","Organic letters","2012","14","16","4214","4217","10.1021/ol301897h","","","0.71075","MoKα","","","0.0794","","","","0.2222","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508351","11.59","0.003","11.976","0.003","12.636","0.004","79.982","0.008","84.943","0.008","71.173","0.007","1633.8","0.8","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H33 Fe N3 O2 -","- C41 H33 Fe N3 O2 -","- C82 H66 Fe2 N6 O4 -","2","1","","Ogata, Kenichi; Ohashi, Itsuki; Fukuzawa, Shin-Ichi","Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes.","Organic letters","2012","14","16","4214","4217","10.1021/ol301897h","","","0.7107","MoKα","","","0.0535","","","","0.141","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508352","17.8351","0.0009","11.2002","0.0005","20.4039","0.0011","90","","111.555","0.002","90","","3790.8","0.3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 Rh2 Si2 -","- C38 H66 Rh2 Si2 -","- C152 H264 Rh8 Si8 -","4","1","","Ogata, Kenichi; Ohashi, Itsuki; Fukuzawa, Shin-Ichi","Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes.","Organic letters","2012","14","16","4214","4217","10.1021/ol301897h","","","0.71075","MoKα","","","0.0931","","","","0.3666","","","","","","1.407","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508353","6.8209","0.0002","27.0063","0.0008","7.7986","0.0002","90","","111.561","0.001","90","","1336.04","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H30 N2 O9 -","- C29 H30 N2 O9 -","- C58 H60 N4 O18 -","2","1","","Tietze, Lutz F.; Wolfram, Thomas; Holstein, Julian J.; Dittrich, Birger","First enantioselective total synthesis of (+)-(R)-pinnatolide using an asymmetric domino allylation reaction.","Organic letters","2012","14","16","4035","4037","10.1021/ol301932d","","","1.54178","CuKα","","0.0377","0.0364","","","0.0993","0.1076","","","","","","1.142","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508354","9.401","0.0016","20.75","0.004","22.696","0.004","90","","90","","90","","4427.3","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H56 Cl4 N2 P2 Pd2 -","- C43 H56 Cl4 N2 P2 Pd2 -","- C172 H224 Cl16 N8 P8 Pd8 -","4","1","","Reynolds, Samantha C.; Hughes, Russell P.; Glueck, David S.; Rheingold, Arnold L.","Synthesis, Reactivity, and Resolution of a C(2)-Symmetric, P-Stereogenic Benzodiphosphetane, a Building Block for Chiral Bis(phosphines).","Organic letters","2012","14","16","4238","4241","10.1021/ol301935q","","","0.71073","MoKα","","0.0299","0.0272","","","0.0692","0.0711","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508355","7.9316","0.0005","11.5927","0.0007","19.0616","0.0012","90","","90","","90","","1752.69","0.19","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br N2 O5 -","- C16 H17 Br N2 O5 -","- C64 H68 Br4 N8 O20 -","4","1","","Chen, Guo-Ying; Zhong, Fangrui; Lu, Yixin","Asymmetric allylic alkylation of isatin-derived morita-baylis-hillman carbonates with nitroalkanes.","Organic letters","2012","14","15","3955","3957","10.1021/ol301962e","","","0.71073","MoKα","","0.0663","0.0403","","","0.086","0.0945","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508356","9.1206","0.0003","10.6882","0.0003","16.4955","0.0005","100.445","0.001","99.399","0.001","93.992","0.002","1551.97","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","2","","Muralirajan, Krishnamoorthy; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Ru(II)-catalyzed amidation of 2-arylpyridines with isocyanates via C-H activation","Organic Letters","2012","14","16","4262","4265","10.1021/ol302000a","","","0.71073","MoKα","","0.0776","0.0466","","","0.1506","0.1968","","","","","","1.066","","","","has coordinates","218628","2020-10-21","18:00:00",""
"1508357","10.069","0.002","12.069","0.003","14.804","0.004","88.984","0.006","89.148","0.006","65.025","0.006","1630.5","0.7","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","2","","Nanjo, Takeshi; Tsukano, Chihiro; Takemoto, Yoshiji","Palladium-Catalyzed Cascade Process Consisting of Isocyanide Insertion and Benzylic C(sp(3))-H Activation: Concise Synthesis of Indole Derivatives.","Organic letters","2012","14","16","4270","4273","10.1021/ol302035j","","","0.71075","MoKα","","","0.0951","","","","0.1852","","","","","","2.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508358","5.6229","0.0003","8.7918","0.0004","12.5901","0.0006","81.487","0.004","82.616","0.004","76.535","0.004","595.75","0.05","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 N O4 -","- C24 H37 N O4 -","- C24 H37 N O4 -","1","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","1.54184","CuKα","","0.0632","0.0593","","0.1643","0.1554","0.1643","","","","","","0.9171","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508359","10.5891","0.0002","10.1907","0.0002","20.7473","0.0004","90","","103.072","0.0008","90","","2180.83","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H33 N O4 -","- C22 H33 N O4 -","- C88 H132 N4 O16 -","4","2","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0566","0.0415","","0.1095","0.0948","0.1095","","","","","","0.9464","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508360","10.5822","0.0004","11.4387","0.0006","12.8091","0.0008","90","","90","","90","","1550.5","0.14","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 I N O3 -","- C13 H22 I N O3 -","- C52 H88 I4 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","1.5418","CuKα","","0.1224","0.0624","","0.1468","0.0738","0.0608","","","","","","0.9631","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508361","11.7106","0.0005","7.0979","0.0004","11.9661","0.0007","90","","116.827","0.002","90","","887.58","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H23 I2 N O3 -","- C13 H23 I2 N O3 -","- C26 H46 I4 N2 O6 -","2","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0819","0.0485","","0.1012","0.0739","0.1012","","","","","","0.9367","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508362","6.3402","0.0002","8.2496","0.0003","18.8623","0.0006","90","","90","","90","","986.58","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0478","0.0383","","0.105","0.093","0.105","","","","","","0.9422","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508373","6.7224","0.0003","10.7473","0.0004","11.9604","0.0005","113.212","0.004","90.579","0.003","99.815","0.003","779.68","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H15 N11 O8 -","- C8 H15 N11 O8 -","- C16 H30 N22 O16 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T.","Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3]","Crystals","2012","2","1","34","42","10.3390/cryst2010034","","","0.71073","MoKα","","0.0627","0.0398","","","0.0916","0.0964","","","","","","0.862","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508374","8.4007","0.0002","16.4716","0.0004","12.4876","0.0003","90","","90.948","0.001","90","","1727.71","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperizine-1-carboxylate","","- C15 H28 N2 O4 -","- C15 H28 N2 O4 -","- C60 H112 N8 O16 -","4","1","","Mamat, Constantin; Flemming, Anke; Köckerling, Martin","Synthesis and Molecular Structure of tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperazine-1-carboxylate","Crystals","2012","2","1","90","95","10.3390/cryst2010090","","","0.71073","MoKα","","0.0801","0.0629","","","0.1791","0.1969","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508375","9.7945","0.0007","10.1945","0.0007","21.306","0.001","90","","90","","90","","2127.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2:5,6-Di-O-isopropylidene-3-O-tosyl-α-D-glucofuranose","","- C19 H26 O8 S -","- C19 H26 O8 S -","- C76 H104 O32 S4 -","4","1","","Mamat, Constantin; Peppel, Tim; Köckerling, Martin","The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose","Crystals","2012","2","1","105","109","10.3390/cryst2010105","","","0.71073","MoKα","","0.066","0.0509","","","0.1228","0.1346","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508376","6.2717","0.0013","12.841","0.003","25.693","0.005","90","","90","","90","","2069.2","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C10 H24 Cl5 Fe N2 O4 -","- C10 H24 Cl5 Fe N2 O4 -","- C40 H96 Cl20 Fe4 N8 O16 -","4","0.5","","Bäcker, Tobias; Mudring, Anja-Verena","Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept","Crystals","2012","2","1","110","117","10.3390/cryst2010110","","","0.71073","MoKα","","0.0813","0.0393","","","0.0752","0.0818","","","","","","0.8","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508377","24.375","0.001","30.163","0.002","13.653","0.001","90","","90","","90","","10038","1.1","233","2","233","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C6 H10 B F4 N5 O2 S -","- C6 H10 B F4 N5 O2 S -","- C192 H320 B32 F128 N160 O64 S32 -","32","2","","Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig","Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent","Crystals","2012","2","1","118","126","10.3390/cryst2010118","","","0.71073","MoKα","","0.0818","0.0538","","","0.1316","0.1469","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508378","8.0815","0.0007","10.0732","0.0009","10.7291","0.001","90","","100.383","0.007","90","","859.12","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N5 O2 S -","- C5 H7 N5 O2 S -","- C20 H28 N20 O8 S4 -","4","1","","Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig","Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent","Crystals","2012","2","1","118","126","10.3390/cryst2010118","","","0.71073","MoKα","","0.0536","0.0377","","","0.0893","0.0943","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508379","6.8994","0.0001","9.8052","0.0002","11.1525","0.0002","71.729","0.001","79.436","0.001","74.349","0.001","685.83","0.02","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","2-(4-methoxybenzyl)-4-nitro-2H-indazole","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C30 H26 N6 O6 -","2","1","","Mamat, Constantin; Köckerling, Martin","The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl)-4-nitro-2H-indazole","Crystals","2012","2","2","176","181","10.3390/cryst2020176","","","0.71073","MoKα","","0.058","0.0428","","","0.1238","0.1352","","","","","","1.021","","","","has coordinates","201206","2020-10-21","18:00:00",""
"1508380","9.859","0.002","13.683","0.004","9.664","0.002","105.04","0.02","93.651","0.018","110.735","0.02","1159.9","0.5","295.1","","295.1","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 N2 O6 P2 S2 -","- C54 H44 N2 O6 P2 S2 -","- C54 H44 N2 O6 P2 S2 -","1","0.5","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S.","A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine","Crystals","2012","2","2","182","192","10.3390/cryst2020182","","","0.71069","MoKα","","","0.0412","","","","0.0546","","","","","","1.161","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508381","6.742","0.003","15.518","0.007","18.034","0.007","74.29","0.03","82.16","0.04","80.36","0.03","1782.4","1.4","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N2 O9 S34 -","- C46 H42 N2 O9 S34 -","- C46 H42 N2 O9 S34 -","1","0.5","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S.","A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine","Crystals","2012","2","2","182","192","10.3390/cryst2020182","","","0.71075","MoKα","","","0.0806","","","","0.0565","","","","","","1.1552","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508382","7.8124","0.0014","6.6564","0.0011","30.444","0.006","90","","96.062","0.002","90","","1574.3","0.5","93","","93","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 Br0.79 Cl1.21 Cu S16 -","- C20 H16 Br0.794 Cl1.206 Cu S16 -","- C40 H32 Br1.588 Cl2.412 Cu2 S32 -","2","0.5","","Kubo, Kazuya; Yamashita, Masahiro","New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6","Crystals","2012","2","2","284","293","10.3390/cryst2020284","","","0.71073","MoKα","","0.0417","0.0349","","","0.0747","0.0803","","","","","","1.188","","","","has coordinates,has disorder","210192","2020-10-21","18:00:00",""
"1508383","11.8152","0.0016","10.1","0.002","35.579","0.006","90","","98.111","0.013","90","","4203.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 Cl2 N3 S12 Zn -","- C35 H27 Cl2 N3 S12 Zn -","- C140 H108 Cl8 N12 S48 Zn4 -","4","0.5","","Nita, Gabriela; Branzea, Diana; Pop, Flavia; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies","Crystals","2012","2","2","338","348","10.3390/cryst2020338","","","0.71073","MoKα","","0.0968","0.0597","","","0.1051","0.1227","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508384","21.4373","0.0015","6.1623","0.0004","23.2775","0.0016","90","","97.597","0.004","90","","3048","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B0.5 N O -","- C20 H20 B0.5 N O -","- C160 H160 B4 N8 O8 -","8","1","","Bag, Pradip; Itkis, Mikhail E.; Pal, Sushanta K.; Bekyarova, Elena; Donnadieu, Bruno; Haddon, Robert C.","Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor","Crystals","2012","2","2","446","465","10.3390/cryst2020446","","","0.71073","MoKα","","0.0607","0.0401","","","0.1005","0.1157","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508385","8.5518","0.0003","10.8826","0.0008","11.9939","0.0006","101.273","0.005","98.287","0.003","94.092","0.004","1077.54","0.11","130","0.2","130","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","2","","Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.","Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis","Crystals","2012","2","2","521","527","10.3390/cryst2020521","","","0.7107","MoKα","","0.0581","0.0476","","","0.1181","0.1262","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508386","8.0261","0.0005","12.7412","0.0007","7.9296","0.0005","90","","118.051","0.009","90","","715.64","0.1","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","aminonitroguanidinium bromide monohydrate","aminonitroguanidinium bromide monohydrate","","- C H8 Br N5 O3 -","- C H8 Br N5 O3 -","- C4 H32 Br4 N20 O12 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.","Inorganic Amino-Nitro-Guanidinium (ANQ) Derivatives","Crystals","2012","2","2","675","689","10.3390/cryst2020675","","","0.71073","MoKα","","0.0411","0.0325","","","0.0636","0.0697","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508387","12.5514","0.001","12.5514","0.001","29.73","0.004","90","","90","","120","","4056.1","0.7","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- Lu20 Ru11 -","- Lu20 Ru11 -","- Lu120 Ru66 -","6","0.333333","","Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd","Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms","Crystals","2012","2","2","704","709","10.3390/cryst2020704","","","0.71073","MoKα","","0.063","0.0364","","","0.0786","0.0855","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508388","21.37","0.002","21.37","0.002","7.4607","0.0008","90","","90","","90","","3407.1","0.6","298","","298","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H56 Co2 K N20 O4 -","- C76 H56 Co2 K N20 O4 -","- C152 H112 Co4 K2 N40 O8 -","2","0.25","","Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu","Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K)","Crystals","2012","2","3","946","957","10.3390/cryst2030946","","","0.71075","MoKα","","","0.0467","","","","0.1232","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508389","21.163","0.004","21.163","0.004","7.414","0.0013","90","","90","","90","","3320.5","1.1","273.1","","273.1","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H56 Co2 N20 Na O4 -","- C76 H56 Co2 N20 Na O4 -","- C152 H112 Co4 N40 Na2 O8 -","2","0.25","","Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu","Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K)","Crystals","2012","2","3","946","957","10.3390/cryst2030946","","","0.71075","MoKα","","","0.0511","","","","0.0939","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508390","7.4137","0.0013","7.489","0.0013","7.5391","0.0014","118.928","0.019","109.295","0.017","92.47","0.014","335.18","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","CuBT * 2 H~2~O","Diaqua(μ-5,5'-bistetrazolato-κ^4^N^1^,N^2^,N^5^,N^6^)copper(II)","","- C2 H4 Cu N8 O2 -","- C2 H4 Cu N8 O2 -","- C4 H8 Cu2 N16 O4 -","2","1","","Joas, Manuel; Klapοtke, Thomas M.; Stierstorfer, Jοrg","Preparation and Crystal Structure of Diaqua(?-5,5'-bistetrazolato-?4N1,N2,N5,N6)copper(II)","Crystals","2012","2","3","958","966","10.3390/cryst2030958","","","0.71073","MoKα","","0.0536","0.0448","","","0.1098","0.1158","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508391","6.6491","0.0003","7.9627","0.0006","30.621","0.005","90","","90","","90","","1621.2","0.3","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl N2 O4 -","- C18 H13 Cl N2 O4 -","- C72 H52 Cl4 N8 O16 -","4","1","","Khan, Imtiaz; White, Jonathan M.","Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate","Crystals","2012","2","3","967","973","10.3390/cryst2030967","","","0.7107","MoKα","","0.0354","0.031","","","0.0795","0.0819","","","","","","1.122","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508392","11.3275","0.0015","8.3235","0.0011","18.588","0.002","90","","96.979","0.003","90","","1739.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H19 N2 O13 P3 Zn3 -","- C5 H17 N2 O13 P3 Zn3 -","- C20 H68 N8 O52 P12 Zn12 -","4","1","","Harrison, William T.A.; Currie, William R.","1,5-Diaminopentane As A Structure-Directing Agent for Zincophosphate Networks: Zn3(PO4)2(C5H14N2)2·3H2O and C5H16N2·Zn3(PO4)2(HPO4)·H2O","Crystals","2012","2","3","974","983","10.3390/cryst2030974","","","0.71073","MoKα","","0.1047","0.0561","","","0.1059","0.1191","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508393","9.8152","0.0002","9.6305","0.0002","9.8465","0.0002","90","","116.785","0.001","90","","830.88","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl[(1S)-1-(5-Amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate","","- C18 H18 N4 O3 -","- C18 H18 N4 O3 -","- C36 H36 N8 O6 -","2","1","","Lοser, Reik; Nieger, Martin; Gυtschow, Michael","Synthesis and Crystal Structure of Benzyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate","Crystals","2012","2","3","1201","1209","10.3390/cryst2031201","","","0.71073","MoKα","","0.034","0.0288","","","0.0607","0.0621","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508394","25.4114","0.0005","8.4744","0.0001","20.6921","0.0004","90","","108.328","0.002","90","","4229.93","0.14","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","ethyl 4-(4-hydroxyphenyl) -6-(6-methoxy-2-naphthyl)-2-oxocyclohex -3-ene-1-carboxylate","","- C26 H24 O5 -","- C26 H24 O5 -","- C208 H192 O40 -","8","1","","Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, Hemmige S.; Mayekar, Anil N.; Narayana, Badiadka","Crystal and Molecular Structure Studies of Ethyl 4-(4-Hydroxyphenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate and Ethyl 4-(3-Bromophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate","Crystals","2012","2","3","1239","1247","10.3390/cryst2031239","","","1.54178","CuKα","","0.0961","0.0938","","","0.2313","0.2328","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508395","9.5408","0.0016","9.5827","0.0016","11.58","0.002","90","","105.838","0.003","90","","1018.5","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Saeed, Aamer; Arshad, Ifzan; Florke, Ulrich","One-Pot Synthesis and Crystal Structure of Methyl 5-Hydroxy-1-phenyl-1H-pyrazole-3-carboxylate","Crystals","2012","2","3","1248","1252","10.3390/cryst2031248","","","0.71073","MoKα","","0.0553","0.0429","","","0.1021","0.1098","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508396","9.455","0.002","12.0445","0.0017","16.493","0.002","87.469","0.01","83.061","0.014","75.465","0.014","1804.6","0.5","296","2","296","1","","","","","","","methanol","7","P -1","-P 1","2","","[μ-2,2'-(2,8-Dimethyl-4,7,10,12-tetrahydrodi-imidazo[4,5-<i>c</i>:4',5'- <i>h</i>][1,6]diazecine-5,11(1<i>H</i>,6<i>H</i>)-diyl)bis(<i>N</i>,<i>N</i>- dimethylethanamine)]-tetra-aqua-di-copper(ii) tetrakis(tetrafluoridoborate)","","- C20 H44 B4 Cu2 F16 N8 O4 -","- C20 H44 B4 Cu2 F16 N8 O4 -","- C40 H88 B8 Cu4 F32 N16 O8 -","2","1","","Olguin, Juan; Bernes, Sylvain; Gasque, Laura","Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template","Crystals","2012","2","3","1357","1365","10.3390/cryst2031357","","","0.71073","MoKα","","0.0753","0.0631","","","0.173","0.1812","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508397","10.4816","0.0009","7.0223","0.0007","22.732","0.003","90","","95.913","0.008","90","","1664.3","0.3","296","2","296","2","","","","","","","methanol","7","P 1 21/c 1","-P 2ybc","14","","[μ-2,2'-(2,8-Dimethyl-4,7,10,12-tetrahydrodi-imidazo[4,5-<i>c</i>:4',5'- <i>h</i>][1,6]diazecine-5,11(1<i>H</i>,6<i>H</i>)-diyl) bis(<i>N</i>,<i>N</i>- dimethylethanamine)]-di-aqua-difluorido-di-copper(ii) bis(tetrafluoridoborate) dihydrate","","- C20 H44 B2 Cu2 F10 N8 O4 -","- C20 H44 B2 Cu2 F10 N8 O4 -","- C40 H88 B4 Cu4 F20 N16 O8 -","2","0.5","","Olguin, Juan; Bernes, Sylvain; Gasque, Laura","Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template","Crystals","2012","2","3","1357","1365","10.3390/cryst2031357","","","0.71073","MoKα","","0.0583","0.0417","","","0.1129","0.1278","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508398","6.2948","0.001","8.2624","0.0014","10.7612","0.0017","75.964","0.019","89.232","0.019","84.072","0.019","540.04","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H12 Br3 Cu2 N -","- C5 H12 Br3 Cu2 N -","- C10 H24 Br6 Cu4 N2 -","2","1","","Komm, Theresa; Biner, Daniel; Neels, Antonia; Kramer, Karl W.","(C5H12N)Cu2Br3: A Piperidinium Copper(I) Bromide with [Cu2Br3]? Ladders","Crystals","2012","2","4","1434","1440","10.3390/cryst2041434","","","0.71073","MoKα","","0.0689","0.0534","","","0.1298","0.1459","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508399","15.4039","0.0012","15.2813","0.0012","17.8904","0.0014","99.662","0.001","113.423","0.001","102.481","0.001","3618.4","0.5","149.8","0.5","149.8","0.5","","","","","","","","3","P 1","P 1","1","beta-cyclodextrin Aegelinol clathrate hydrate","cyclomaltoheptaose pyranocoumarin clathrate hydrate","","- C56 H102.5 O50.75 -","- C56 H102.5 O50.75 -","- C112 H205 O101.5 -","2","2","","Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan","Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin","Crystals","2012","2","4","1441","1454","10.3390/cryst2041441","","","1.54179","CuKα","","0.071","0.0657","","","0.19","0.1966","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508400","6.8921","0.0003","11.4302","0.0009","44.964","0.003","90","","90","","90","","3542.2","0.4","150.05","0.1","150.05","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aegelinol","pyranocoumarin","","- C14 H14 O4 -","- C14 H14 O4 -","- C168 H168 O48 -","12","3","","Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan","Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin","Crystals","2012","2","4","1441","1454","10.3390/cryst2041441","","","0.71073","MoKα","","0.0522","0.0444","","","0.0956","0.1005","","","","","","1.097","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508401","10.7572","0.0003","9.7154","0.0003","20.5873","0.0006","90","","90.003","0.003","90","","2151.59","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Richter, Frank; Nerdinger, Sven; Schottenberger, Herwig","Improved Synthesis and Crystal Structure of Dalcetrapib","Crystals","2012","2","4","1455","1459","10.3390/cryst2041455","","","1.5418","CuKα","","0.0582","0.0392","","","0.089","0.0937","","","","","","0.934","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508403","11.0965","0.0005","13.0586","0.0006","16.6135","0.0008","90","","108.324","0.001","90","","2285.31","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Mo N5 O3 -","- C25 H17 Mo N5 O3 -","- C100 H68 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.0719","0.0349","","","0.0622","0.07","","","","","","0.868","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508404","11.4788","0.0006","19.073","0.001","11.9881","0.0006","90","","95.179","0.001","90","","2613.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Mo N5 O3 -","- C31 H21 Mo N5 O3 -","- C124 H84 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.039","0.0304","","","0.0719","0.0758","","","","","","1.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508405","8.4222","0.0003","21.5966","0.0009","12.5011","0.0005","90","","94.065","0.001","90","","2268.12","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Mo N5 O3 -","- C24 H19 Mo N5 O3 -","- C96 H76 Mo4 N20 O12 -","4","1","","Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A.","Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives","Crystals","2012","1","2","47","58","10.3390/cryst1020047","","","0.71073","MoKα","","0.0345","0.0249","","","0.0614","0.0649","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508406","12.3829","0.0003","7.9124","0.0002","11.0858","0.0003","90","","114.788","0.002","90","","986.1","0.05","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H2 Ba O5 P -","- C H2 Ba O5 P -","- C8 H16 Ba8 O40 P8 -","8","1","","Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A.","Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4","Crystals","2012","1","2","59","68","10.3390/cryst1020059","","","0.71073","MoKα","","0.0168","0.0164","","","0.0392","0.0396","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508407","12.7393","0.0007","13.0111","0.0007","5.605","0.0003","90","","104.208","0.004","90","","900.62","0.09","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H18 Ba N2 O18 -","- C10 H18 Ba N2 O18 -","- C20 H36 Ba2 N4 O36 -","2","0.25","","Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A.","Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4","Crystals","2012","1","2","59","68","10.3390/cryst1020059","","","0.71073","MoKα","","0.0278","0.0266","","","0.0529","0.0537","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508408","12.1143","0.0008","3.9556","0.0003","14.2781","0.0009","90","","90","","90","","684.2","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 S4 -","- Ba Lu2 S4 -","- Ba4 Lu8 S16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0739","0.0643","","","0.1306","0.1361","","","","","","1.186","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508409","12.6132","0.0008","4.1089","0.0003","14.8774","0.0009","90","","90","","90","","771.04","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 Se4 -","- Ba Lu2 Se4 -","- Ba4 Lu8 Se16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0303","0.0259","","","0.0566","0.058","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508410","13.5358","0.0008","4.3847","0.0003","15.9362","0.0009","90","","90","","90","","945.82","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Lu2 Te4 -","- Ba Lu2 Te4 -","- Ba4 Lu8 Te16 -","4","0.5","","Schurz, Christian M.; Schleid, Thomas","Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure","Crystals","2012","1","3","78","86","10.3390/cryst1030078","","","0.71069","MoKα","","0.0901","0.0603","","","0.0938","0.1032","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508411","11.7671","0.0018","10.8528","0.0017","10.2115","0.0015","90","","90.213","0.003","90","","1304.1","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As7 Cs2 Na -","- As7 Cs2 Na -","- As28 Cs8 Na4 -","4","1","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.088","0.0441","","","0.0678","0.0812","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508412","10.608","0.003","16.761","0.005","14.363","0.004","90","","91.785","0.005","90","","2552.5","1.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As14 Cd Cs4 -","- As14 Cd Cs4 -","- As56 Cd4 Cs16 -","4","1","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.051","0.032","","","0.0554","0.061","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508413","29.067","0.002","10.4714","0.0008","43.039","0.003","90","","128.092","0.001","90","","10309.9","1.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As14 Cs4 Zn -","- As14 Cs4 Zn -","- As224 Cs64 Zn16 -","16","4","","Hua, He; Chauntae, Tyson; Svilen, Bobev","New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14","Crystals","2012","1","3","87","98","10.3390/cryst1030087","","","0.71073","MoKα","","0.0912","0.0436","","","0.0737","0.0893","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508414","6.8712","0.0009","6.8712","0.0009","12.2531","0.0017","90","","90","","120","","501","0.12","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","Tri-natrium-molybdo(III)hexa-chlorid","","","- Cl6 Mo Na3 -","- Cl6 Mo Na3 -","- Cl12 Mo2 Na6 -","2","0.166667","","Beran, Martin; Meyer, Gerd","Crystal Structure of Na3MoCl6","Crystals","2012","1","3","99","103","10.3390/cryst1030099","","","0.71073","MoKα","","0.035","0.0238","","","0.0671","0.0706","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508415","7.2279","0.0017","7.2279","0.0017","5.469","0.003","90","","90","","120","","247.44","0.16","120","2","120","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Sn3 -","- Ba Sn3 -","- Ba2 Sn6 -","2","0.0833333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure","Crystals","2012","1","3","104","111","10.3390/cryst1030104","","","0.71073","MoKα","","0.0137","0.0137","","","0.0301","0.0301","","","","","","1.321","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508416","7.2604","0.0013","7.2604","0.0013","5.382","0.002","90","","90","","120","","245.69","0.11","120","2","120","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba In0.2 Sn2.8 -","- Ba In0.21 Sn2.79 -","- Ba2 In0.42 Sn5.58 -","2","0.0833333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure","Crystals","2012","1","3","104","111","10.3390/cryst1030104","","","0.71073","MoKα","","0.0207","0.0207","","","0.041","0.041","","","","","","1.295","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508417","4.5383","0.0006","12.2486","0.0016","14.3747","0.0019","90","","90","","90","","799.06","0.18","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Ga1.79 Sn4.21 -","- Ba Ga1.79 Sn4.21 -","- Ba4 Ga7.16 Sn16.84 -","4","0.25","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0306","0.0258","","","0.0588","0.0606","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508418","11.68","0.0012","11.68","0.0012","11.68","0.0012","90","","90","","90","","1593.4","0.3","293","2","293","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ga14.5 Sn31.5 -","- Ba8 Ga14.456 Sn31.544 -","- Ba8 Ga14.456 Sn31.544 -","1","0.0208333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0392","0.0295","","","0.0554","0.0577","","","","","","1.218","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508419","11.5843","0.0007","11.5843","0.0007","11.5843","0.0007","90","","90","","90","","1554.57","0.16","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ba8 Ga13.2 Sn32.8 -","- Ba8 Ga13.212 Sn32.796 -","- Ba8 Ga13.212 Sn32.796 -","1","0.0208333","","Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen","Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure","Crystals","2012","1","3","145","162","10.3390/cryst1030145","","","0.71073","MoKα","","0.0199","0.0187","","","0.0453","0.0456","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508420","19.032","0.001","47.979","0.003","17.596","0.001","90","","116.066","0.004","90","","14433.3","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","- C576 H480 N144 Ni24 O192 -","24","6","","Prior, Timothy J.; Rujiwatra, Apinpus; Chimupala, Yothin","[Ni(1,10-phenanthroline)2(H2O)2](NO3)2: A Simple Coordination Complex with a Remarkably Complicated Structure that Simplifies on Heating","Crystals","2012","1","3","178","194","10.3390/cryst1030178","","","0.71073","MoKα","","0.1102","0.0632","","","0.1449","0.1715","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508421","17.247","0.007","4.9279","0.0018","12.24","0.005","90","","132.558","0.004","90","","766.3","0.5","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba5 Cd2 O2 Sb4 -","- Ba5 Cd2 O2 Sb4 -","- Ba10 Cd4 O4 Sb8 -","2","0.25","","Darone, Gregory M.; Bobev, Svilen","Ba5Cd2Sb4O2, A New Antimonide Oxide with a Complex Structure","Crystals","2012","1","3","206","214","10.3390/cryst1030206","","","0.71073","MoKα","","0.0291","0.0241","","","0.0492","0.0513","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508422","13.7685","0.001","11.7274","0.0012","17.0023","0.0017","90","","115.197","0.006","90","","2484.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Bi I5 O5 -","- C14 H20 Bi I5 O5 -","- C56 H80 Bi4 I20 O20 -","4","1","","Fiolka, Christoph; Richter, Mark; Pantenburg, Ingo; Mudring, Anja-Verena; Meyer, Gerd","(B15c5)BiI3(I2): Molecular Benzo-15-Crown-5‒BiI3 Complexes Bridged by Iodine Molecules to Chains","Crystals","2012","1","4","220","228","10.3390/cryst1040220","","","0.71073","MoKα","","0.0395","0.029","","","0.0637","0.0713","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508423","8.8565","0.0007","13.349","0.001","14.654","0.001","106.617","0.002","102.684","0.002","98.963","0.002","1574.7","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H27.91 B18 Cl2.09 Co S8 -","- C14 H27.907 B18 Cl2.093 Co S8 -","- C28 H55.814 B36 Cl4.186 Co2 S16 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.114","0.059","","","0.0843","0.0971","","","","","","0.878","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508424","8.7106","0.0016","13.441","0.002","14.742","0.003","106.991","0.003","101.784","0.003","99.504","0.003","1568.6","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H27.75 B18 Br0.75 Cl1.25 Co S8 -","- C14 H27.752 B18 Br0.752 Cl1.248 Co S8 -","- C28 H55.504 B36 Br1.504 Cl2.496 Co2 S16 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.2279","0.0761","","","0.091","0.1201","","","","","","0.866","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508425","10.809","0.001","16.187","0.001","20.412","0.001","100.22","0.01","100.43","0.01","107.21","0.01","3252.1","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36.84 B18 Br1.16 Co O0.72 S32 -","- C35.98 H36.85 B18.02 Br1.159 Co O0.72 S32 -","- C71.96 H73.7 B36.04 Br2.318 Co2 O1.44 S64 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.0643","0.0514","","","0.0916","0.0955","","","","","","0.849","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508426","8.7982","0.0006","8.8927","0.0007","9.7756","0.0005","67.827","0.006","86.181","0.005","71.794","0.007","671.68","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H18 N12 -","- C8 H18 N12 -","- C16 H36 N24 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.049","0.038","","","0.0982","0.1023","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508427","5.9696","0.0001","16.7493","0.0004","19.0799","0.0004","90","","90","","90","","1907.73","0.07","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N7 -","- C7 H15 N7 -","- C56 H120 N56 -","8","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0491","0.0411","","","0.1081","0.1122","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508428","12.6856","0.0003","8.82","0.0002","31.3885","0.0008","90","","99.39","0.002","90","","3464.91","0.15","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 N16 O8 -","- C20 H58 N16 O8 -","- C80 H232 N64 O32 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0639","0.0417","","","0.0988","0.1083","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508429","8.8064","0.0003","11.1285","0.0003","10.5456","0.0003","90","","102.894","0.003","90","","1007.43","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 N7 O -","- C7 H17 N7 O -","- C28 H68 N28 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0563","0.0379","","","0.0829","0.0889","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508430","18.0338","0.0007","3.601","0.002","14.906","0.003","90","","91.94","0.01","90","","967.4","0.6","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H3 Ag N6 -","- C H3 Ag N6 -","- C8 H24 Ag8 N48 -","8","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0462","0.0368","","","0.0966","0.1038","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508431","5.9032","0.0007","7.4591","0.0008","9.2538","0.0008","113.598","0.009","98.37","0.008","99.017","0.009","358.88","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 N5 S -","- C4 H9 N5 S -","- C8 H18 N10 S2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0348","0.0297","","","0.0696","0.0731","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508432","5.9035","0.0009","13.388","0.002","11.3173","0.0019","90","","93.941","0.017","90","","892.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 N5 P -","- C5 H12 N5 P -","- C20 H48 N20 P4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.7107","MoKα","","0.0391","0.0303","","","0.0793","0.0816","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508433","5.2452","0.0002","14.029","0.0004","10.7735","0.0004","90","","102.036","0.003","90","","775.34","0.05","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 N5 O S -","- C4 H9 N5 O S -","- C16 H36 N20 O4 S4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","x-ray","0.7107","MoKα","","0.0312","0.0276","","","0.0703","0.0717","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508434","5.49","0.0004","8.4206","0.0006","10.3003","0.0006","78.564","0.005","85.796","0.006","81.876","0.006","461.53","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N6 O -","- C6 H14 N6 O -","- C12 H28 N12 O2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0416","0.0345","","","0.0946","0.0983","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508442","8.3243","0.0007","7.5173","0.0006","13.5465","0.0011","90","","90.908","0.001","90","","847.58","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As6 Ga Na10 Nb -","- As6 Ga Na10 Nb -","- As12 Ga2 Na20 Nb2 -","2","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0371","0.0263","","","0.0464","0.0492","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508443","22.843","0.006","4.7892","0.0012","16.861","0.004","90","","90","","90","","1844.6","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As6 Ga3 Na8 Rb -","- As6 Ga3 Na8 Rb -","- As24 Ga12 Na32 Rb4 -","4","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0619","0.0326","","","0.0521","0.0611","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508444","22.276","0.003","4.6947","0.0006","16.356","0.002","90","","90","","90","","1710.5","0.4","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga3 Na8 P6 Rb -","- Ga3 Na8 P6 Rb -","- Ga12 Na32 P24 Rb4 -","4","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0698","0.041","","","0.0625","0.0707","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508445","15.7423","0.0013","13.2947","0.0011","33.81","0.003","90","","96.701","0.006","90","","7027.7","1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N3 O0.5 S16 -","- C27 H16 N3 O0.5 S16.0002 -","- C216 H128 N24 O4 S128.002 -","8","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","x-ray","1.54178","Cukα","","0.1238","0.079","","","0.2246","0.2542","","","","","","0.966","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508446","15.5152","0.0013","13.2644","0.001","33.673","0.002","90","","97.443","0.006","90","","6871.5","0.9","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N3 O S16 -","- C25 H16 N3 O S16 -","- C200 H128 N24 O8 S128 -","8","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.1974","0.1562","","","0.4577","0.4738","","","","","","1.73","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508447","17.3403","0.0013","20.1481","0.0015","23.9412","0.0018","84.225","0.006","69.596","0.007","76.254","0.006","7613.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N4 O2 S16 -","- C29 H21 N4 O2 S16 -","- C232 H168 N32 O16 S128 -","8","4","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.4861","0.1015","","","0.1248","0.1793","","","","","","0.758","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508448","10.2496","0.0007","11.2314","0.001","18.0649","0.0011","96.525","0.006","90.593","0.005","115.397","0.007","1862.4","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N4 O2 S16 -","- C29 H21 N4 O2 S16 -","- C58 H42 N8 O4 S32 -","2","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.0965","0.0487","","","0.1018","0.1171","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508449","7.6688","0.0003","12.6432","0.0004","22.6204","0.0005","98.43","0.002","98.463","0.002","106.246","0.003","2041.6","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24.5 Cl1.5 N4 O2 S16 -","- C31 H23 Cl1.5 N4 O2 S16 -","- C62 H46 Cl3 N8 O4 S32 -","2","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.0611","0.0506","","","0.1252","0.1363","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508450","7.0227","0.0002","12.676","0.0003","13.1732","0.0003","62.169","0.001","76.282","0.001","78.615","0.001","1002.31","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","EDT-TTF-I, DDQ","3-iodo-3',4'-ethylenedithio-tetrathiafulvalene, dichlorodicyanobenzoquinone","","- C16 H5 Cl2 I N2 O2 S6 -","- C16 H5 Cl2 I N2 O2 S6 -","- C32 H10 Cl4 I2 N4 O4 S12 -","2","1","","Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc","Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs","Crystals","2012","2","2","327","337","10.3390/cryst2020327","","","0.71073","MoKα","","0.0449","0.0341","","","0.0819","0.0967","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508451","7.4173","0.0009","12.9354","0.0015","21.258","0.003","79.6","0.004","85.564","0.004","75.854","0.004","1944.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-I2)2,DDQ,CH3CN","bis(3,4-diiodo-3',4'-ethyleneditio-tetrathiafulvalene), dichlorodicyanobenzoquinone, acetenitrile","","- C26 H11 Cl2 I4 N3 O2 S12 -","- C26 H11 Cl2 I4 N3 O2 S12 -","- C52 H22 Cl4 I8 N6 O4 S24 -","2","1","","Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc","Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs","Crystals","2012","2","2","327","337","10.3390/cryst2020327","","","0.71073","MoKα","","0.0676","0.0426","","","0.1145","0.1444","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508452","10.7727","0.0012","11.3734","0.0012","23.982","0.003","98.566","0.004","95.298","0.004","116.168","0.004","2566.1","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H152 N4 O32 W10 -","- C84 H152 N4 O32 W10 -","- C84 H152 N4 O32 W10 -","1","0.5","","Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka","Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid","Crystals","2012","2","2","362","373","10.3390/cryst2020362","","","0.71075","MoKα","","0.0426","0.0354","","","0.0807","0.0842","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508453","42.054","0.004","12.3735","0.0009","4.276","0.0003","90","","90","","90","","2225","0.3","273","","273","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H10 Au N4 S6 Se2 -","- C16 H10 Au N4 S6 Se2 -","- C64 H40 Au4 N16 S24 Se8 -","4","0.5","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.0593","0.0535","","","0.1123","0.1154","","","","","","1.214","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508454","8.532","0.006","9.75","0.007","13.597","0.01","94.949","0.017","94.723","0.014","93.783","0.013","1120","1.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 O4.5 Re S6 Se2 -","- C12 H10 O4.5 Re S6 Se2 -","- C24 H20 O9 Re2 S12 Se4 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.1084","0.0835","","","0.2044","0.2303","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508455","7.893","0.002","8.594","0.003","34.646","0.01","89.481","0.008","84.178","0.006","77.788","0.004","2284.9","1.2","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl I6 S12 Se4 -","- C25 H22 Cl I6 S12 Se4 -","- C50 H44 Cl2 I12 S24 Se8 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.1006","0.0654","","","0.1587","0.1813","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508456","8.443","0.002","8.859","0.002","16.686","0.005","84.118","0.011","89.712","0.013","68.365","0.009","1153.3","0.5","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 I3 S6 Se2 -","- C14 H12 I3 S6 Se2 -","- C28 H24 I6 S12 Se4 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.0972","0.0455","","","0.0993","0.1235","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508457","7.6672","0.0008","9.8657","0.0011","17.9733","0.0012","91.151","0.009","93.636","0.007","102.434","0.009","1324.2","0.2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cl5 N O Os S24 -","- C30 H24 Cl5 N O Os S24 -","- C30 H24 Cl5 N O Os S24 -","1","0.5","","Zorina, Leokadiya; Simonov, Sergey; Canadell, Enric; Shibaeva, Rimma","Single-Crystal-to-Single-Crystal Transformation from delta-(BEDT-TTF)4[OsNOCl5]1.33(C6H5NO2)0.67 to beta''""-(BEDT-TTF)3[OsNOCl5]","Crystals","2012","2","2","627","642","10.3390/cryst2020627","","","0.71073","MoKα","","0.0675","0.0475","","","0.1277","0.1376","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508458","9.143","0.003","19.352","0.005","10.894","0.003","90","","106.286","0.005","90","","1850.2","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N6 O8 -","- C36 H42 N6 O8 -","- C72 H84 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0854","","","","0.298","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508459","12.89","0.004","9.7","0.003","16.89","0.005","90","","102.92","0.005","90","","2058.3","1.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cl4 N6 O8 -","- C36 H44 Cl4 N6 O8 -","- C72 H88 Cl8 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0607","","","","0.1906","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508460","12","0.004","6.72","0.0019","24.4","0.007","90","","92.21","0.006","90","","1966.2","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N6 O8 -","- C40 H42 N6 O8 -","- C80 H84 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0635","","","","0.1763","","","","","","0.876","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508461","7.2831","0.0015","10.522","0.002","11.41","0.002","83.38","0.03","80.83","0.03","82.02","0.03","851","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","methyl 4-hydroxy-3-nitrobenzoate","","- C8 H7 N O5 -","- C8 H7 N O5 -","- C32 H28 N4 O20 -","4","2","","Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim","Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate","Crystals","2012","2","2","669","674","10.3390/cryst2020669","","","0.71073","MoKα","","0.1583","0.1002","","","0.2139","0.2519","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508462","14.325","0.007","6.403","0.003","36.893","0.019","90","","97.543","0.005","90","","3355","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Pd2 S20 Sb -","- C16 H12 Pd2 S20 Sb -","- C64 H48 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0316","","","","0.0775","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508463","14.379","0.003","6.3539","0.0012","36.496","0.007","90","","98.07","0.002","90","","3301.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 P Pd2 S20 -","- C16 H12 P Pd2 S20 -","- C64 H48 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0271","","","","0.0939","","","","","","1.153","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508464","14.383","0.004","6.3691","0.0015","36.672","0.009","90","","97.793","0.003","90","","3328.4","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 As Pd2 S20 -","- C16 H12 As Pd2 S20 -","- C64 H48 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.031","","","","0.067","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508465","14.503","0.003","6.3989","0.0012","37.244","0.007","90","","97.352","0.002","90","","3427.9","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Pd2 S20 Sb -","- C17 H13 Pd2 S20 Sb -","- C68 H52 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71073","MoKα","","0.0376","0.0307","","","0.0684","0.0713","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508466","14.437","0.004","6.3614","0.0015","37.243","0.009","90","","96.938","0.003","90","","3395.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C68 H56 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0324","","","","0.082","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508467","14.448","0.004","6.3715","0.0018","37.282","0.011","90","","96.973","0.003","90","","3406.6","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 As Pd2 S20 -","- C17 H16 As Pd2 S20 -","- C68 H64 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.033","","","","0.0835","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508468","14.628","0.004","6.4235","0.0015","37.577","0.009","90","","97.577","0.002","90","","3500","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Pd2 S20 Sb -","- C18 H16 Pd2 S20 Sb -","- C72 H64 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71073","MoKα","","0.0467","0.0375","","","0.0899","0.092","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508469","14.473","0.003","6.3918","0.0013","37.859","0.008","90","","96.009","0.003","90","","3483","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 P Pd2 S20 -","- C18 H16 P Pd2 S20 -","- C72 H64 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0323","","","","0.0931","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508470","14.495","0.004","6.4","0.0015","37.816","0.01","90","","96.388","0.003","90","","3486.3","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 As Pd2 S20 -","- C18 H16 As Pd2 S20 -","- C72 H64 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0316","","","","0.0983","","","","","","1.082","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508471","7.5434","0.0003","15.5493","0.0007","12.7552","0.0004","90","","90.198","0.003","90","","1496.11","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Br3 F6 N2 P -","- C8 H10 Br3 F6 N2 P -","- C32 H40 Br12 F24 N8 P4 -","4","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0805","0.0548","","","0.1206","0.1378","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508472","23.6138","0.0003","23.6138","0.0003","18.8371","0.0004","90","","90","","90","","10503.8","0.3","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C7 H8 B Br3 F4 N2 -","- C7 H8 B Br3 F4 N2 -","- C224 H256 B32 Br96 F128 N64 -","32","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0597","0.0427","","","0.0974","0.1053","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508473","7.1109","0.0002","7.8014","0.0002","15.6397","0.0005","90","","90","","90","","867.61","0.04","173","2","173","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C6 H3 Br3 N2 -","- C6 H3 Br3 N2 -","- C24 H12 Br12 N8 -","4","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0205","0.0191","","","0.0421","0.0427","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508474","8.2368","0.0005","13.4522","0.0008","13.6605","0.0006","92.476","0.004","100.965","0.004","92.884","0.005","1481.96","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Br3 F6 N2 P -","- C8 H8 Br3 F6 N2 P -","- C32 H32 Br12 F24 N8 P4 -","4","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","1.5418","CuKα","","0.0433","0.0392","","","0.1024","0.1057","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508475","23.4674","0.0004","23.4674","0.0004","18.6531","0.0004","90","","90","","90","","10272.6","0.3","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C7 H6 B Br3 F4 N2 -","- C7 H6 B Br3 F4 N2 -","- C224 H192 B32 Br96 F128 N64 -","32","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.057","0.0436","","","0.1031","0.1096","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508476","7.5438","0.0004","8.6311","0.0005","15.9716","0.0007","75.02","0.004","87.083","0.004","66.58","0.005","920.25","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H6 Br3 F6 N3 O4 S2 -","- C9 H6 Br3 F6 N3 O4 S2 -","- C18 H12 Br6 F12 N6 O8 S4 -","2","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0605","0.0392","","","0.0912","0.095","","","","","","0.937","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508477","7.6729","0.0004","7.8858","0.0005","15.8383","0.0007","90.001","0.004","88.104","0.004","62.169","0.008","846.88","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Br5 F6 N2 P -","- C8 H8 Br5 F6 N2 P -","- C16 H16 Br10 F12 N4 P2 -","2","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0569","0.0425","","","0.1024","0.1097","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508478","7.32","0.0007","11.5867","0.0012","18.1972","0.0016","87.611","0.008","81.121","0.008","86.375","0.008","1521","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Br6 N2 -","- C8 H8 Br6 N2 -","- C32 H32 Br24 N8 -","4","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.065","0.0404","","","0.0615","0.0707","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508479","9.208","0.0004","14.0485","0.0007","10.3826","0.0006","90","","90","","90","","1343.08","0.12","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","0.7107","MoKα","","0.0454","0.0372","","","0.0868","0.092","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508480","10.6092","0.0008","10.8355","0.0008","11.1346","0.0009","90","","98.643","0.006","90","","1265.45","0.17","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N O S -","- C13 H12 Cl N O S -","- C52 H48 Cl4 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","1.5418","CuKα","","0.0356","0.035","","","0.0986","0.0992","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508481","10.3738","0.0007","10.8501","0.0007","11.8301","0.0009","90","","98.615","0.007","90","","1316.53","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N O S -","- C13 H12 Cl N O S -","- C52 H48 Cl4 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","0.7107","MoKα","","0.0882","0.0656","","","0.1763","0.1929","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508482","5.2296","0.001","11.006","0.002","31.718","0.006","90","","93.903","0.006","90","","1821.4","0.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O S4 Se4 -","- C14 H10 O S4 Se4 -","- C56 H40 O4 S16 Se16 -","4","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.0918","0.0601","","","0.1397","0.1596","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508483","7.917","0.003","10.582","0.003","15.979","0.005","76.666","0.016","89.916","0.017","89.124","0.019","1302.4","0.7","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C17 H12.5 Cl0.5 F6 O P S4 Se4 -","- C17 H12.5 Cl0.5 F6 O P S4 Se4 -","- C34 H25 Cl F12 O2 P2 S8 Se8 -","2","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.128","0.0786","","","0.2454","0.2846","","","","","","0.964","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508484","12.666","0.003","14.299","0.004","16.289","0.005","85.39","0.02","88.219","0.019","79.788","0.018","2893.6","1.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 Cl2 F12 P2 S10 Se8 -","- C40 H30.01 Cl1.99 F12 P2 S10 Se8 -","- C80 H60.02 Cl3.98 F24 P4 S20 Se16 -","2","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.1263","0.0745","","","0.2084","0.2674","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508485","17.6219","0.0006","10.8735","0.0003","15.3216","0.0005","90","","102.864","0.003","90","","2862.11","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide","","- C16 H13 F2 N3 O -","- C16 H13 F2 N3 O -","- C128 H104 F16 N24 O8 -","8","1","","Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.","Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","Crystals","2012","2","3","1108","1115","10.3390/cryst2031108","","","0.71073","MoKα","","0.0655","0.0511","","","0.1333","0.1441","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508486","14.339","0.002","11.1478","0.0017","9.541","0.002","90","","107.007","0.018","90","","1458.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","","- C16 H13 F2 N3 S -","- C16 H13 F2 N3 S -","- C64 H52 F8 N12 S4 -","4","1","","Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.","Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","Crystals","2012","2","3","1108","1115","10.3390/cryst2031108","","","0.71073","MoKα","","0.0575","0.0413","","","0.0959","0.1047","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508487","15.7896","0.0009","15.7896","0.0009","20.8659","0.0014","90","","90","","90","","5202.1","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ce10 O Se14 -","- Ce10 O Se14 -","- Ce80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0661","0.0337","","","0.0506","0.0572","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508488","15.9204","0.0009","15.9204","0.0009","21.0648","0.0014","90","","90","","90","","5339.1","0.6","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- La10 O Se14 -","- La10 O Se14 -","- La80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0692","0.0381","","","0.0709","0.0784","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508489","15.5983","0.0008","15.5983","0.0008","20.6291","0.0012","90","","90","","90","","5019.2","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Nd10 O Se14 -","- Nd10 O Se14 -","- Nd80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.049","0.0377","","","0.0892","0.0957","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508490","15.6874","0.0008","15.6874","0.0008","20.7342","0.0013","90","","90","","90","","5102.6","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- O Pr10 Se14 -","- O Pr10 Se14 -","- O8 Pr80 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0518","0.0317","","","0.0615","0.0674","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508491","7.3259","0.0001","7.3259","0.0001","67.5487","0.0012","90","","90","","90","","3625.26","0.1","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C96 H80 Au7.52 Cl15.04 N16 S48 -","8","0.5","","Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.","Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)","Crystals","2012","2","3","1283","1290","10.3390/cryst2031283","","","0.71073","MoKα","","0.0501","0.0441","","","0.1031","0.1075","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508492","7.3066","0.0001","7.3066","0.0001","67.3719","0.0012","90","","90","","90","","3596.74","0.09","260","2","260","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C12 H10 Au0.951 Cl1.902 N2 S6 -","- C96 H80 Au7.608 Cl15.216 N16 S48 -","8","0.5","","Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.","Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)","Crystals","2012","2","3","1283","1290","10.3390/cryst2031283","","","1.54178","CuKα","","0.049","0.0455","","","0.109","0.111","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508493","15.6941","0.0006","10.7909","0.0004","8.6586","0.0003","90","","102.184","0.004","90","","1433.33","0.09","125","1","125","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.0428","0.0343","","","0.083","0.0882","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508494","15.5187","0.0008","10.9358","0.0005","8.8141","0.0004","90","","101.245","0.005","90","","1467.12","0.12","230","1","230","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.0688","0.0455","","","0.1054","0.1195","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508495","15.1766","0.0019","11.2809","0.0014","8.9334","0.0014","90","","98.726","0.013","90","","1511.7","0.4","380","1","380","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.1157","0.0645","","","0.1757","0.2065","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508496","5.1024","0.0003","8.2922","0.0005","9.3064","0.0006","90","","90","","90","","393.75","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H4 N2 O -","- C3 H4 N2 O -","- C12 H16 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","1.5418","CuKα","","0.0315","0.0301","","","0.0818","0.0829","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508497","4.2693","0.0002","10.7541","0.0004","10.9756","0.0004","90","","93.535","0.003","90","","502.96","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cl N2 O -","- C3 H5 Cl N2 O -","- C12 H20 Cl4 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0251","0.0232","","","0.0611","0.0625","","","","","","1.116","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508498","4.4182","0.0002","11.0416","0.0006","11.2015","0.0006","90","","94.081","0.004","90","","545.07","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Br N2 O -","- C3 H5 Br N2 O -","- C12 H20 Br4 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0225","0.0194","","","0.0445","0.0465","","","","","","0.905","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508499","6.5611","0.001","7.7322","0.0011","12.1134","0.0014","97.82","0.011","91.912","0.011","113.295","0.014","556.62","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 N4 O6 S -","- C6 H10 N4 O6 S -","- C12 H20 N8 O12 S2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0538","0.0387","","","0.0857","0.0967","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508500","3.6216","0.0006","17.385","0.003","9.0259","0.0013","90","","90.499","0.013","90","","568.26","0.16","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N3 O4 -","- C3 H5 N3 O4 -","- C12 H20 N12 O16 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","1.5418","CuKα","","0.0317","0.0305","","","0.0741","0.0751","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508501","11.601","0.002","10.39","0.002","10.498","0.002","90","","115.15","0.03","90","","1145.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bismuthethandisulfonato","","- C3 H10 Bi O11 S3 -","- C3 H10 Bi O11 S3 -","- C12 H40 Bi4 O44 S12 -","4","1","","Gschwind, Fabienne; Jansen, Martin","An Unusual Bismuth Ethanedisulfonate Network","Crystals","2012","2","4","1374","1381","10.3390/cryst2041374","","x-ray","0.71073","MoKα","","0.0386","0.0283","","","0.0475","0.0492","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508504","12.579","0.003","14.599","0.003","22.498","0.005","90","","90.264","0.004","90","","4131.5","1.6","293.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H52 N6 O9 S Sr -","- C38 H49 N6 O9 S Sr -","- C152 H196 N24 O36 S4 Sr4 -","4","2","","Okamura, Hiroyuki; Ikeda-Ohno, Atsushi; Saito, Takumi; Aoyagi, Noboru; Naganawa, Hirochika; Hirayama, Naoki; Umetani, Shigeo; Imura, Hisanori; Shimojo, Kojiro","Specific cooperative effect of a macrocyclic receptor for metal ion transfer into an ionic liquid.","Analytical chemistry","2012","84","21","9332","9339","10.1021/ac302015h","","","0.71075","MoKα","","","0.1018","","","","0.274","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508505","8.4168","0.0009","18.993","0.002","11.476","0.0012","90","","110.188","0.001","90","","1721.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N2 O5 Re S -","- C13 H12 F3 N2 O5 Re S -","- C52 H48 F12 N8 O20 Re4 S4 -","4","1","","Jiang, Han; Kasten, Benjamin B.; Liu, Hongguang; Qi, Shibo; Liu, Yang; Tian, Mei; Barnes, Charles L.; Zhang, Hong; Cheng, Zhen; Benny, Paul D.","Novel, cysteine-modified chelation strategy for the incorporation of [M(I)(CO)(3)](+) (M = Re, (99m)Tc) in an α-MSH peptide.","Bioconjugate chemistry","2012","23","11","2300","2312","10.1021/bc300509k","","","0.71073","MoKα","","0.0311","0.0255","","","0.0615","0.0639","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508506","27.7209","0.0019","8.846","0.0002","17.442","0.0003","90","","105.179","0.007","90","","4127.9","0.3","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Cu N6 O7 S2 -","- C47 H42 Cu N6 O7 S2 -","- C188 H168 Cu4 N24 O28 S8 -","4","1","","Briggs, Breeze N.; Gaier, Abby J.; Fanwick, Phillip E.; Dogutan, Dilek K.; McMillin, David R.","Cationic copper(II) porphyrins intercalate into domains of double-stranded RNA.","Biochemistry","2012","51","38","7496","7505","10.1021/bi300828z","","","1.54184","CU-Kα","","0.091","0.06","","","0.135","0.171","","","","","","1.179","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1508507","5.382","0.003","6.929","0.004","29.95","0.02","85.615","0.013","89.872","0.014","73.155","0.012","1065.6","1.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","PDP-acid","","","- C23 H38 O3 -","- C23 H38 O3 -","- C46 H76 O6 -","2","1","","Pramod, P. S.; Takamura, Kathryn; Chaphekar, Sonali; Balasubramanian, Nagaraj; Jayakannan, M.","Dextran vesicular carriers for dual encapsulation of hydrophilic and hydrophobic molecules and delivery into cells.","Biomacromolecules","2012","13","11","3627","3640","10.1021/bm301583s","","","0.71073","MoKα","","0.2754","0.1023","","","0.2268","0.3119","","","","","","0.931","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508508","4.819","0.001","9.239","0.002","10.384","0.002","90","","90","","97.16","0.05","458.72","0.17","293","2","293","2","","","","","","","","5","P 1 1 21","P 2c","4","","","","- C8 H10 D3 N O5 -","- C8 H10 D3 N O5 -","- C16 H20 D6 N2 O10 -","2","1","","Sawada, Daisuke; Nishiyama, Yoshiharu; Langan, Paul; Forsyth, V. Trevor; Kimura, Satoshi; Wada, Masahisa","Direct determination of the hydrogen bonding arrangement in anhydrous β-chitin by neutron fiber diffraction.","Biomacromolecules","2012","13","1","288","291","10.1021/bm201512t","","neutron","1.4558","neutron","","0.4685","0.2566","","","0.5303","0.6239","","","","","","2.8","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508509","11.8398","0.0012","12.029","0.0012","14.8387","0.0015","75.089","0.002","82.148","0.002","89.399","0.002","2022.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Cyanex-301","","","- C16 H35 P S2 -","- C16 H35 P S2 -","- C64 H140 P4 S8 -","4","2","","Marc, Philippe; Custelcean, Radu; Groenewold, Gary S.; Klaehn, John R.; Peterman, Dean R.; Delmau, Lætitia H.","Degradation of CYANEX 301 in Contact with Nitric Acid Media","Industrial & Engineering Chemistry Research","2012","51","40","13238","","10.1021/ie300757r","","","0.71073","MoKα","","0.0799","0.0552","","","0.1364","0.1536","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508510","8.3942","0.0008","9.6626","0.001","26.242","0.003","90","","90.562","0.002","90","","2128.4","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H38 N P S2 -","- C16 H38 N P S2 -","- C64 H152 N4 P4 S8 -","4","0.5","","Marc, Philippe; Custelcean, Radu; Groenewold, Gary S.; Klaehn, John R.; Peterman, Dean R.; Delmau, Lætitia H.","Degradation of CYANEX 301 in Contact with Nitric Acid Media","Industrial & Engineering Chemistry Research","2012","51","40","13238","","10.1021/ie300757r","","","0.71073","MoKα","","0.0862","0.0548","","","0.1224","0.1322","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508511","23.8827","0.0019","11.9249","0.001","21.0028","0.0017","90","","114.789","0.001","90","","5430.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 N4 O23 Zn6 -","- C36 H64 N4 O23 Zn6 -","- C144 H256 N16 O92 Zn24 -","4","0.5","","Shahid, Muhammad; Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Malik, Mohammad A.; Helliwell, Madeleine","Nanostructured ZnO Thin Films for Optical, Electrical, and Photoelectrochemical Applications from a New Zn Complex","Industrial & Engineering Chemistry Research","2012","51","50","16361","","10.1021/ie302398m","","","0.71073","MoKα","","0.0427","0.0318","","","0.074","0.0779","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508512","12.1108","0.0003","14.3211","0.0003","10.3258","0.0003","90","","90","","90","","1790.91","0.08","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H12 B F N6 -","- C24 H12 B F N6 -","- C96 H48 B4 F4 N24 -","4","0.5","","Fulford, Mabel V.; Jaidka, Damish; Paton, Andrew S.; Morse, Graham E.; Brisson, Emma R. L.; Lough, Alan J.; Bender, Timothy P.","Crystal Structures, Reaction Rates, and Selected Physical Properties of Halo-Boronsubphthalocyanines (Halo = Fluoride, Chloride, and Bromide)","Journal of Chemical & Engineering Data","2012","57","10","2756","","10.1021/je3005112","","","0.71073","MoKα","","0.0507","0.0382","","","0.0896","0.0985","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508513","12.0161","0.0004","15.0606","0.0005","10.4064","0.0005","90","","90","","90","","1883.24","0.13","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H12 B Br N6 -","- C24 H12 B Br N6 -","- C96 H48 B4 Br4 N24 -","4","0.5","","Fulford, Mabel V.; Jaidka, Damish; Paton, Andrew S.; Morse, Graham E.; Brisson, Emma R. L.; Lough, Alan J.; Bender, Timothy P.","Crystal Structures, Reaction Rates, and Selected Physical Properties of Halo-Boronsubphthalocyanines (Halo = Fluoride, Chloride, and Bromide)","Journal of Chemical & Engineering Data","2012","57","10","2756","","10.1021/je3005112","","","0.71073","MoKα","","0.1142","0.0559","","","0.0994","0.1191","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508514","8.2068","0.0008","13.7427","0.0013","10.9809","0.0011","90","","93.496","0.002","90","","1236.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 Cl N5 O7 -","- C24 H32 Cl N5 O7 -","- C48 H64 Cl2 N10 O14 -","2","1","","Sun, Chuan-Wen; Fang, Ting; Wang, Jing; Hao, Zhi-bing; Nan, Shi-bing","Synthesis, insecticidal activity, crystal structure, and molecular docking studies of nitenpyram analogues with an ω-hydroxyalkyl ester arm anchored on the tetrahydropyrimidine ring.","Journal of agricultural and food chemistry","2012","60","38","9553","9561","10.1021/jf3024479","","","0.71073","MoKα","","0.0461","0.0427","","","0.1205","0.1274","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508515","13.66","0.003","9.867","0.002","23.937","0.006","90","","98.52","0.005","90","","3190.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H17 Cl2 N2 O4.5 Pt -","- C10.5 H17 Cl2 N2 O4.5 Pt -","- C84 H136 Cl16 N16 O36 Pt8 -","8","2","","Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han","Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation.","Journal of medicinal chemistry","2012","55","17","7571","7582","10.1021/jm300580y","","","0.71073","MoKα","","0.0514","0.0427","","","0.0953","0.0988","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508516","9.242","0.003","10.288","0.003","14.494","0.004","77.219","0.005","84.291","0.004","80.289","0.005","1321.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N2 O2 -","- C22 H20 Cu N2 O2 -","- C66 H60 Cu3 N6 O6 -","3","1.5","","Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano","Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation.","Journal of medicinal chemistry","2012","55","23","10448","10459","10.1021/jm301053a","","","0.71073","MoKα","","0.095","0.0546","","","0.1273","0.1496","","","","","","1.047","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1508517","22.584","0.0005","7.59176","0.00018","10.5047","0.0003","90","","92.039","0.002","90","","1799.91","0.08","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Fe N2 O2 -","- C23 H22 Fe N2 O2 -","- C92 H88 Fe4 N8 O8 -","4","1","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0665","0.0516","","","0.1106","0.1172","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508518","7.455","0.0002","10.3389","0.0002","13.2992","0.0003","72.296","0.002","81.3454","0.0019","78.354","0.002","952.04","0.04","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Fe N2 O -","- C23 H24 Fe N2 O -","- C46 H48 Fe2 N4 O2 -","2","1","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0346","0.0305","","","0.0789","0.0813","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508519","19.7267","0.0007","5.7377","0.0002","36.268","0.0011","90","","90","","90","","4105","0.2","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H26 Fe N2 O2 -","- C25 H26 Fe N2 O2 -","- C200 H208 Fe8 N16 O16 -","8","2","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0806","0.0706","","","0.1638","0.1708","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508520","6.1836","0.0002","8.0658","0.0003","15.5374","0.0007","102.217","0.003","92.75","0.003","108.655","0.002","711.98","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(OC-6-54)-Dichlorido(N,N-dimethyl-ethane-1,2-diamine)aquamethoxidoplatinum(IV) trifluoroacetate","","- C7 H17 Cl2 F3 N2 O4 Pt -","- C7 H17 Cl2 F3 N2 O4 Pt -","- C14 H34 Cl4 F6 N4 O8 Pt2 -","2","1","","Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K.","Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity.","Journal of medicinal chemistry","2012","55","24","11052","11061","10.1021/jm301645g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0539","0.0548","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508526","5.77","0.0005","5.3158","0.0005","20.0297","0.0017","90","","94.956","0.001","90","","612.06","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 O5 P -","- C3 H7 O5 P -","- C12 H28 O20 P4 -","4","1","","Blanchard, John W.; Groy, Thomas L.; Yarger, Jeffery L.; Holland, Gregory P.","Investigating Hydrogen-Bonded Phosphonic Acids with Proton Ultrafast MAS NMR and DFT Calculations","The Journal of Physical Chemistry C","2012","116","35","18824","","10.1021/jp305229s","","","0.71073","MoKα","","0.0325","0.0313","","","0.0849","0.0861","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508527","5.40134","0.00004","8.6917","0.00004","14.09262","0.00009","90","","112.636","","90","","610.638","0.007","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- La0.6 O7 Si2 Y1.4 -","- La1.4 O7 Si2 Y0.6 -","- La5.6 O28 Si8 Y2.4 -","4","1","","Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.","Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy","The Journal of Physical Chemistry C","2012","116","40","21523","","10.1021/jp305777m","powder diffraction","x-ray","0.41243","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508528","5.381678","0.000015","8.60257","0.00002","14.03235","0.00004","90","","113.212","0.0002","90","","597.06","0.003","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- La0.6 O7 Si2 Y1.4 -","- La O7 Si2 Y -","- La4 O28 Si8 Y4 -","4","1","","Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.","Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy","The Journal of Physical Chemistry C","2012","116","40","21523","","10.1021/jp305777m","powder diffraction","x-ray","0.41326","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508529","5.379664","0.00001","8.581892","0.000018","14.03969","0.00002","90","","113.369","0.0001","90","","595.01","0.0019","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- La0.9 O7 Si2 Y1.1 -","- La0.9 O7 Si2 Y1.1 -","- La3.6 O28 Si8 Y4.4 -","4","1","","Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.","Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy","The Journal of Physical Chemistry C","2012","116","40","21523","","10.1021/jp305777m","powder diffraction","x-ray","0.41336","","","0.0208","0.0208","","0.0227","0.0227","","","","1.65","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508530","5.37478","0.00004","8.54709","0.00004","14.0561","0.00009","90","","113.637","","90","","591.545","0.006","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- La0.6 O7 Si2 Y1.4 -","- La0.82 O7 Si2 Y1.18 -","- La3.28 O28 Si8 Y4.72 -","4","1","","Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.","Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy","The Journal of Physical Chemistry C","2012","116","40","21523","","10.1021/jp305777m","powder diffraction","x-ray","0.41326","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508531","13.74372","0.00004","5.02936","0.00004","8.20701","0.00009","90","","90","","90","","567.286","0.008","293","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- La0.2 O7 Si2 Y1.8 -","- La0.2 O7 Si2 Y1.8 -","- La0.8 O28 Si8 Y7.2 -","4","0.5","","Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.","Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy","The Journal of Physical Chemistry C","2012","116","40","21523","","10.1021/jp305777m","powder diffraction","x-ray","0.41243","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508532","13.70483","0.00004","5.02519","0.00004","8.17844","0.00009","90","","90","","90","","563.244","0.008","293","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- La0.2 O7 Si2 Y1.8 -","- La0.1 O7 Si2 Y1.9 -","- La0.4 O28 Si8 Y7.6 -","4","0.5","","Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.","Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy","The Journal of Physical Chemistry C","2012","116","40","21523","","10.1021/jp305777m","powder diffraction","x-ray","0.41243","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508533","5.8387","0.0004","5.8387","0.0004","5.8387","0.0004","90","","90","","90","","199.04","0.02","100","2","100","2","","","","","","","synthesis as described","3","P -4 3 m","P -4 2 3","215","","","","- B4 H16 Zr -","- B4 H16 Zr -","- B4 H16 Zr -","1","0.0416667","","Rude, Line H.; Corno, Marta; Ugliengo, Piero; Baricco, Marcello; Lee, Young-Su; Cho, Young Whan; Besenbacher, Flemming; Overgaard, Jacob; Jensen, Torben R.","Synthesis and Structural Investigation of Zr(BH4)4","The Journal of Physical Chemistry C","2012","116","38","20239","","10.1021/jp306665a","","x-ray","0.71073","MoKα","","0.0154","0.0154","","","0.0296","0.0296","","","","","","1.176","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508534","9.4067","0.0012","10.9795","0.0014","15.662","0.002","86.97","0.002","85.99","0.002","88.859","0.002","1611.2","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H44 O4 -","- C38 H44 O4 -","- C76 H88 O8 -","2","1","","Luo, Xiaoliang; Zhao, Weijun; Shi, Junqing; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yong Qiang; Tang, Ben Zhong","Reversible Switching Emissions of Tetraphenylethene Derivatives among Multiple Colors with Solvent Vapor, Mechanical, and Thermal Stimuli","The Journal of Physical Chemistry C","2012","116","41","21967","","10.1021/jp306908u","","","0.71073","MoKα","","0.0644","0.0474","","","0.1091","0.1188","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508535","9.5229","0.0009","12.0451","0.0013","32.149","0.003","90","","99.557","0.003","90","","3636.4","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 O4 -","- C42 H52 O4 -","- C168 H208 O16 -","4","1","","Luo, Xiaoliang; Zhao, Weijun; Shi, Junqing; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yong Qiang; Tang, Ben Zhong","Reversible Switching Emissions of Tetraphenylethene Derivatives among Multiple Colors with Solvent Vapor, Mechanical, and Thermal Stimuli","The Journal of Physical Chemistry C","2012","116","41","21967","","10.1021/jp306908u","","","0.71073","MoKα","","0.0632","0.0448","","","0.0999","0.1102","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508536","10.4825","0.0003","12.3742","0.0004","16.3558","0.0005","83.7391","0.0018","86.7693","0.0018","68.5231","0.0016","1962.16","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H37 N2 O5 -","- C49 H37 N2 O5 -","- C98 H74 N4 O10 -","2","1","","Cheriya, Rijo T.; Joy, Jimmy; Rajagopal, Shinaj K.; Nagarajan, Kalaivanan; Hariharan, Mahesh","DNA-Enforced Conformational Restriction of an Atropisomer","The Journal of Physical Chemistry C","2012","116","42","22631","","10.1021/jp308260a","","","1.54178","CuKα","","0.0661","0.0549","","","0.1506","0.1571","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508537","7.2802","0.0009","19.228","0.003","22.545","0.003","112.045","0.002","90.085","0.003","94.351","0.002","2915.2","0.7","293.1","","293.1","","","","","","","","","4","P -1","-P 1","2","","perylene 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane","","- C84 H36 F8 N8 -","- C84 H36 F8 N8 -","- C168 H72 F16 N16 -","2","1","","Tsutsumi, Jun’ya; Matsui, Hiroyuki; Yamada, Toshikazu; Kumai, Reiji; Hasegawa, Tatsuo","Generation and Diffusion of Photocarriers in Molecular Donor‒Acceptor Systems: Dependence on Charge-Transfer Gap Energy","The Journal of Physical Chemistry C","2012","116","45","23957","","10.1021/jp308720d","","","0.6885","synchrotron","","","0.0532","","","","0.0582","","","","","","1.133","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508538","6.7481","0.0012","21.891","0.003","8.1279","0.0011","90","","100.229","0.011","90","","1181.6","0.3","293.1","","293.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3',5,5'-tetramethylbenzidine 7,7,8,8-tetracyanoquinodimethnae","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","0.5","","Tsutsumi, Jun’ya; Matsui, Hiroyuki; Yamada, Toshikazu; Kumai, Reiji; Hasegawa, Tatsuo","Generation and Diffusion of Photocarriers in Molecular Donor‒Acceptor Systems: Dependence on Charge-Transfer Gap Energy","The Journal of Physical Chemistry C","2012","116","45","23957","","10.1021/jp308720d","","","1","synchrotron","","","0.0434","","","","0.0493","","","","","","1.047","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508539","13.8959","0.0005","20.1236","0.0007","24.2675","0.0006","75.836","0.002","76.571","0.002","89.829","0.003","6389.4","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H80 Co N2 O8 -","- C72 H80 Co N2 O8 -","- C288 H320 Co4 N8 O32 -","4","2","","Calzolari, Arrigo; Chen, Yifeng; Lewis, Geoffrey F.; Dougherty, Daniel B.; Shultz, David; Nardelli, Marco Buongiorno","Complex materials for molecular spintronics applications: cobalt bis(dioxolene) valence tautomers, from molecules to polymers.","The journal of physical chemistry. B","2012","116","43","13141","13148","10.1021/jp3099895","","","1.5418","CuKα","","0.0998","0.0713","","","0.1878","0.2104","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508540","14.6043","0.0005","22.5308","0.001","23.7796","0.0008","90","","90","","90","","7824.6","0.5","130","2","130","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","TAT001CF3","TAT001CF3","","- C21 H26 F3 N O -","- C21 H26 F3 N O -","- C336 H416 F48 N16 O16 -","16","2","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.2265","0.0766","","","0.1623","0.2286","","","","","","0.918","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508541","10.0062","0.001","11.1917","0.0009","16.797","0.0015","90","","102.784","0.004","90","","1834.4","0.3","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","HOArCH2pyCH3","HOArCH2pyCH3","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.1114","0.0624","","","0.1416","0.1693","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508542","10.9713","0.0006","12.6281","0.0007","14.4453","0.0011","89.791","0.002","97.735","0.003","112.271","0.005","1832.8","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","HOARpyCF3","HOARpyCF3","","- C20 H24 F3 N O -","- C20 H24 F3 N O -","- C80 H96 F12 N4 O4 -","4","2","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.1131","0.065","","","0.1581","0.1825","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508543","9.625","0.0003","26.794","0.0004","6.906","0.0014","90","","90","","90","","1781","0.4","130","2","130","2","","","","","","","","4","P b c m","-P 2c 2b","57","HOArpyCH3","HOArpyCH3","","- C20 H27 N O -","- C20 H27 N O -","- C80 H108 N4 O4 -","4","0.5","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.1252","0.0607","","","0.13","0.152","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508544","18.8396","0.0014","6.9526","0.00059","14.9354","0.0015","90","","107.219","0.0032","90","","1868.6","0.3","130","2","130","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","HOArpyNMe2","HOArpyNMe2","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","0.5","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.1318","0.0698","","","0.1687","0.1965","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508545","6.043","0.0017","10.138","0.003","15.059","0.005","79.706","0.005","81.949","0.006","76.489","0.005","877.9","0.5","208","2","208","2","","","","","","","","4","P -1","-P 1","2","HOArpyNO2","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.0965","0.0794","","","0.1589","0.1663","","","","","","1.208","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1508546","12.8509","0.0009","14.1392","0.001","28.232","0.002","90","","91.575","0.001","90","","5127.9","0.6","144.5","0.2","144.5","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Mg O2.5 -","- C28 H26 Mg O2.5 -","- C224 H208 Mg8 O20 -","8","2","","Wang, Yang; Zhao, Wei; Liu, Xinli; Cui, Dongmei; Chen, Eugene Y.-X.","Ligand-Free Magnesium Catalyst System: Immortal Polymerization ofl-Lactide with High Catalyst Efficiency and Structure of Active Intermediates","Macromolecules","2012","45","17","6957","","10.1021/ma3007625","","","0.71073","MoKα","","0.2629","0.1371","","","0.3553","0.4279","","","","","","1.165","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508547","13.1893","0.0003","13.8705","0.0004","17.902","0.0005","76.412","0.002","85.719","0.002","65.55","0.003","2896.94","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H79 Cl3 N4 O7 Zn2 -","- C55 H79 Cl3 N4 O7 Zn2 -","- C110 H158 Cl6 N8 O14 Zn4 -","2","1","","Buchard, Antoine; Jutz, Fabian; Kember, Michael R.; White, Andrew J. P.; Rzepa, Henry S.; Williams, Charlotte K.","Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst","Macromolecules","2012","45","17","6781","","10.1021/ma300803b","","","0.71073","MoKα","","0.0585","0.0412","","","0.1049","0.1129","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508548","32.15167","0.00018","32.15167","0.00018","12.28484","0.0001","90","","90","","90","","12699.2","0.14","173","","173","","","","","","","","","5","P -4","P -4","81","","","","- C57 H100 N4 O10.25 Zn2 -","- C44 H72 N4 O7 Zn2 -","- C352 H576 N32 O56 Zn16 -","8","2","","Buchard, Antoine; Jutz, Fabian; Kember, Michael R.; White, Andrew J. P.; Rzepa, Henry S.; Williams, Charlotte K.","Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst","Macromolecules","2012","45","17","6781","","10.1021/ma300803b","","","1.54184","CuKα","","0.0645","0.057","","","0.1494","0.1564","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508549","11.3265","0.0006","11.7429","0.0005","12.8716","0.0006","72.932","0.005","64.349","0.005","86.317","0.006","1471.38","0.15","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H44 Cl5 N O Sn -","- C20 H44 Cl5 N O Sn -","- C40 H88 Cl10 N2 O2 Sn2 -","2","1","","Kanazawa, Arihiro; Shibutani, Shota; Yoshinari, Nobuto; Konno, Takumi; Kanaoka, Shokyoku; Aoshima, Sadahito","Structure Effects of Lewis Acids on the Living Cationic Polymerization ofp-Methoxystyrene: Distinct Difference in Polymerization Behavior from Vinyl Ethers","Macromolecules","2012","45","19","7749","","10.1021/ma301505j","","","0.71075","MoKα","","0.0671","0.0503","","","0.1301","0.1384","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508550","18.2479","0.0006","11.5043","0.0004","11.3089","0.0003","90","","90","","90","","2374.07","0.13","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H36 Al Cl4 N -","- C16 H36 Al Cl4 N -","- C64 H144 Al4 Cl16 N4 -","4","0.5","","Kanazawa, Arihiro; Shibutani, Shota; Yoshinari, Nobuto; Konno, Takumi; Kanaoka, Shokyoku; Aoshima, Sadahito","Structure Effects of Lewis Acids on the Living Cationic Polymerization ofp-Methoxystyrene: Distinct Difference in Polymerization Behavior from Vinyl Ethers","Macromolecules","2012","45","19","7749","","10.1021/ma301505j","","","0.71075","MoKα","","0.0853","0.0637","","","0.1496","0.1607","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508551","9.0425","0.0015","14.736","0.002","20.513","0.003","90","","90","","90","","2733.4","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Al2 N2 O4 -","- C28 H36 Al2 N2 O4 -","- C112 H144 Al8 N8 O16 -","4","1","","Nishioka, Kiyoshi; Goto, Hidetoshi; Sugimoto, Hiroshi","Dual Catalyst System for Asymmetric Alternating Copolymerization of Carbon Dioxide and Cyclohexene Oxide with Chiral Aluminum Complexes: Lewis Base as Catalyst Activator and Lewis Acid as Monomer Activator","Macromolecules","2012","45","20","8172","","10.1021/ma301696d","","","0.71073","MoKα","","0.159","0.111","","","0.2644","0.2921","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508552","9.4593","0.0007","13.5246","0.001","11.9595","0.0009","90","","106.377","0.001","90","","1467.94","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H39 Al N2 O2 -","- C35 H39 Al N2 O2 -","- C70 H78 Al2 N4 O4 -","2","1","","Nishioka, Kiyoshi; Goto, Hidetoshi; Sugimoto, Hiroshi","Dual Catalyst System for Asymmetric Alternating Copolymerization of Carbon Dioxide and Cyclohexene Oxide with Chiral Aluminum Complexes: Lewis Base as Catalyst Activator and Lewis Acid as Monomer Activator","Macromolecules","2012","45","20","8172","","10.1021/ma301696d","","","0.71073","MoKα","","0.0413","0.0378","","","0.0916","0.0935","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508553","11.3045","0.0012","12.439","0.0014","14.213","0.0015","72.061","0.001","74.131","0.001","73.023","0.001","1781.2","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N8 O9 -","- C30 H38 N8 O9 -","- C60 H76 N16 O18 -","2","1","","Xiao, Tangxin; Feng, Xiaoqing; Ye, Shuyang; Guan, Yangfan; Li, Shao-Lu; Wang, Qi; Ji, Ya; Zhu, Dunru; Hu, Xiaoyu; Lin, Chen; Pan, Yi; Wang, Leyong","Highly Controllable Ring‒Chain Equilibrium in Quadruply Hydrogen Bonded Supramolecular Polymers","Macromolecules","2012","45","24","9585","","10.1021/ma302459n","","","0.71073","MoKα","","0.0948","0.0642","","","0.1243","0.1291","","","","","","1.191","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508554","8.0388","0.0002","11.6016","0.0002","14.5562","0.0003","90","","90","","90","","1357.55","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0312","0.0306","","","0.0819","0.0824","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508555","6.1878","0.0001","12.2291","0.0002","18.9781","0.0002","90","","90","","90","","1436.1","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0291","0.0285","","","0.0783","0.0791","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508556","5.9952","0.0002","17.2742","0.0003","7.1081","0.0002","90","","112.765","0.003","90","","678.79","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C30 H56 O6 -","2","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0629","0.0626","","","0.1686","0.1694","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508557","7.9289","0.0002","9.7894","0.0002","19.0738","0.0004","90","","90","","90","","1480.49","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O4 -","- C15 H28 O4 -","- C60 H112 O16 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0459","0.0419","","","0.1106","0.1158","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508558","7.2909","0.0002","7.7433","0.0001","24.0515","0.0004","90","","90","","90","","1357.84","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.036","0.0355","","","0.0955","0.0962","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508559","9.68","0.001","7.53","0.001","13.01","0.001","90","","100.58","0.01","90","","932.18","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)2-deoxy,2-acetyloryzalexin S","","- C22 H34 O2 -","- C22 H34 O2 -","- C44 H68 O4 -","2","1","","Leonelli, Francesca; Latini, Valentina; Trombetta, Andrea; Bartoli, Gabriele; Ceccacci, Francesca; La Bella, Angela; Sferrazza, Alessio; Lamba, Doriano; Migneco, Luisa M.; Bettolo, Rinaldo Marini","Regio- and diastereoselective synthesis and X-ray structure determination of (+)-2-deoxyoryzalexin S from (+)-podocarpic acid. Structural nonidentity with its nominal natural isolated enantiomer.","Journal of natural products","2012","75","11","1944","1950","10.1021/np300518j","","","0.9","SynchrotronRadiation","","0.1","0.0994","","","0.361","0.3614","","","","","","1.988","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508560","10.0493","0.0012","10.0493","0.0012","17.167","0.004","90","","90","","90","","1733.7","0.5","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C72 H88 Cl4 N4 O20 -","4","1","","Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui","Cytotoxic alkaloids from the whole plants of zephyranthes Candida.","Journal of natural products","2012","75","12","2113","2120","10.1021/np3005425","","","0.71073","MoKα","","0.117","0.0745","","","0.1339","0.1496","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508561","9.336","0.005","9.701","0.005","19.187","0.011","90","","100.441","0.017","90","","1709","1.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H46 O9 -","- C36.5 H44 O8.5 -","- C73 H88 O17 -","2","1","","Lin, Xionghao; Ji, Shuai; Li, Rui; Dong, Yinhui; Qiao, Xue; Hu, Hongbo; Yang, Wenzhi; Guo, Dean; Tu, Pengfei; Ye, Min","Terpecurcumins A-I from the Rhizomes of Curcuma longa: Absolute Configuration and Cytotoxic Activity.","Journal of natural products","2012","75","12","2121","2131","10.1021/np300551g","","","1.54178","CuKα","","0.0707","0.0637","","","0.1494","0.1547","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508562","9.216","0.0004","11.9757","0.0003","9.9484","0.0004","90","","116.94","0.005","90","","978.83","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C42 H60 O8 -","2","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0505","0.0477","","","0.1255","0.13","","","","","","1.054","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508563","8.8343","0.0002","12.0172","0.0004","17.6834","0.0004","90","","90","","90","","1877.33","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0385","0.035","","","0.0865","0.0897","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508564","6.1689","0.0003","21.3668","0.0009","7.5017","0.0004","90","","113.089","0.006","90","","909.59","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0358","0.0341","","","0.0858","0.088","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508565","6.7585","0.0002","7.0786","0.0003","35.5061","0.0012","90","","90","","90","","1698.64","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0326","0.0312","","","0.0858","0.0869","","","","","","1.08","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508566","11.1313","0.0003","11.1313","0.0003","33.9045","0.0009","90","","90","","120","","3638.14","0.17","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H28 Cl3 N O6 -","- C20 H26 Cl3 N O6 -","- C120 H156 Cl18 N6 O36 -","6","1","","Amagata, Taro; Xiao, Jing; Chen, Yi-Pei; Holsopple, Nicholas; Oliver, Allen G.; Gokey, Trevor; Guliaev, Anton B.; Minoura, Katsuhiko","Creation of an HDAC-Based Yeast Screening Method for Evaluation of Marine-Derived Actinomycetes: Discovery of Streptosetin A.","Journal of natural products","2012","75","12","2193","2199","10.1021/np300640g","","","1.54178","CuKα","","0.1032","0.0942","","","0.2665","0.2793","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508582","8.5922","0.0003","27.9843","0.0008","11.0408","0.0003","90","","90.662","0.001","90","","2654.55","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[(S)-(pmpp)Mn(CF3SO3)2","(S)-N-methyl(pyridin-2-yl)-N-((1-(pyridin-2-ylmethyl)pyrrolidin-2-yl)methyl) methanamine manganese(II) bis(trifluoromethanesulfonate)","","- C20 H24 F6 Mn N4 O6 S2 -","- C20 H24 F6 Mn N4 O6 S2 -","- C80 H96 F24 Mn4 N16 O24 S8 -","4","2","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly efficient, regioselective, and stereospecific oxidation of aliphatic C-H groups with H2O2, catalyzed by aminopyridine manganese complexes.","Organic letters","2012","14","17","4310","4313","10.1021/ol3015122","","x-ray","0.71073","MoKα","","0.0382","0.0338","","","0.0798","0.0813","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508584","11.859","0.005","5.765","0.005","12.062","0.005","90","0.005","103.121","0.005","90","0.005","803.1","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N3 O3 -","- C17 H13 N3 O3 -","- C34 H26 N6 O6 -","2","1","","Molleti, Nagaraju; Rana, Nirmal K.; Singh, Vinod K.","Highly enantioselective conjugate addition of malononitrile to 2-enoylpyridines with bifunctional organocatalyst.","Organic letters","2012","14","17","4322","4325","10.1021/ol3015607","","","0.71069","MoKα","","0.0783","0.0674","","","0.1855","0.2043","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508589","13.644","0.0003","9.5703","0.0002","20.6868","0.0004","90","","107.581","0.002","90","","2575.05","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O Si -","- C32 H24 N2 O Si -","- C128 H96 N8 O4 Si4 -","4","1","","Leung, Man-kit; Yang, Wan-Hsi; Chuang, Ching-Nan; Lee, Jiun-Haw; Lin, Chi-Feng; Wei, Mao-Kuo; Liu, Yu-Hao","1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes","Organic Letters","2012","14","19","4986","4989","10.1021/ol301734a","","","1.54178","CuKα","","0.0476","0.0433","","","0.1346","0.1418","","","","","","1.176","","","","has coordinates","218632","2020-10-21","18:00:00",""
"1508590","12.0281","0.0002","34.2864","0.0005","7.905","0.0001","90","","91.094","0.001","90","","3259.43","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N4 O2 Si -","- C40 H28 N4 O2 Si -","- C160 H112 N16 O8 Si4 -","4","1","","Leung, Man-kit; Yang, Wan-Hsi; Chuang, Ching-Nan; Lee, Jiun-Haw; Lin, Chi-Feng; Wei, Mao-Kuo; Liu, Yu-Hao","1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes","Organic Letters","2012","14","19","4986","4989","10.1021/ol301734a","","","1.54178","CuKα","","0.0507","0.0451","","","0.1407","0.1516","","","","","","1.235","","","","has coordinates","218632","2020-10-21","18:00:00",""
"1508591","42.5612","0.0009","11.6354","0.0003","18.685","0.0005","90","","106.238","0.002","90","","8884","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H38 N2 O2 Si2 -","- C51 H38 N2 O2 Si2 -","- C408 H304 N16 O16 Si16 -","8","1","","Leung, Man-kit; Yang, Wan-Hsi; Chuang, Ching-Nan; Lee, Jiun-Haw; Lin, Chi-Feng; Wei, Mao-Kuo; Liu, Yu-Hao","1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes","Organic Letters","2012","14","19","4986","4989","10.1021/ol301734a","","","1.54178","CuKα","","0.0867","0.0756","","","0.2231","0.2334","","","","","","1.222","","","","has coordinates,has disorder","218632","2020-10-21","18:00:00",""
"1508592","7.2067","0.0005","14.767","0.0011","10.1297","0.0005","90","","107.228","0.003","90","","1029.65","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2d","(Z)-4-(2-methoxylbenzylidene)-2-methyloxazol-5(4H)-one","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Blanco-Lomas, Marina; Campos, Pedro J.; Sampedro, Diego","Benzylidene-oxazolones as molecular photoswitches.","Organic letters","2012","14","17","4334","4337","10.1021/ol301741g","","","0.71073","MoKα","","0.0763","0.0515","","","0.1256","0.1401","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508593","7.2279","0.0003","12.4336","0.0005","17.6522","0.0007","90","","90","","90","","1586.38","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br N O5 -","- C16 H22 Br N O5 -","- C64 H88 Br4 N4 O20 -","4","1","","Navarro, Raul; Reisman, Sarah E.","Rapid construction of the aza-propellane core of acutumine via a photochemical [2 + 2] cycloaddition reaction.","Organic letters","2012","14","17","4354","4357","10.1021/ol3017963","","","0.71073","MoKα","","0.0728","0.049","","","0.0744","0.0768","","","","","","1.534","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508594","12.1329","0.0005","14.5974","0.0006","16.4163","0.0007","90","","90","","90","","2907.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","2","","Navarro, Raul; Reisman, Sarah E.","Rapid construction of the aza-propellane core of acutumine via a photochemical [2 + 2] cycloaddition reaction.","Organic letters","2012","14","17","4354","4357","10.1021/ol3017963","","","0.71073","MoKα","","0.0649","0.042","","","0.0639","0.0649","","","","","","1.728","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508595","25.371","0.017","15.486","0.01","15.01","0.01","90","0.0013","115.355","0.0016","90","0.0013","5329","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","NDT3-TIPS-Bpin","NDT3-TIPS-Bpin","","- C44 H70 B2 O4 S2 Si2 -","- C44 H70 B2 O4 S2 Si2 -","- C176 H280 B8 O16 S8 Si8 -","4","0.5","","Shinamura, Shoji; Sugimoto, Ryusuke; Yanai, Naoyuki; Takemura, Noriko; Kashiki, Tomoya; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Orthogonally functionalized naphthodithiophenes: selective protection and borylation.","Organic letters","2012","14","18","4718","4721","10.1021/ol301797g","","","0.7107","MoKα","","0.1234","0.0922","","","0.2433","0.2706","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508596","15.815","0.002","14.931","0.003","22.388","0.004","90","0.0018","96.775","0.002","90","0.0018","5249.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NDT4-TIPS-BPin","NDT4-TIPS-BPin","","- C50 H84 B2 O4 S2 Si2 -","- C50 H84 B2 O4 S2 Si2 -","- C200 H336 B8 O16 S8 Si8 -","4","1","","Shinamura, Shoji; Sugimoto, Ryusuke; Yanai, Naoyuki; Takemura, Noriko; Kashiki, Tomoya; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Orthogonally functionalized naphthodithiophenes: selective protection and borylation.","Organic letters","2012","14","18","4718","4721","10.1021/ol301797g","","","0.7107","MoKα","","0.1231","0.1026","","","0.3037","0.3305","","","","","","1.217","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508597","12.391","0.005","11.044","0.005","20.158","0.005","90","0.005","100.261","0.005","90","0.005","2714.4","1.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Liu, Bingxin; Hong, Xiaohu; Yan, Dong; Xu, Shuguang; Huang, Xiaomei; Xu, Bin","Palladium-catalyzed tandem allenyl and aryl C-N bond formation: efficient access to N-functionalized multisubstituted indoles.","Organic letters","2012","14","17","4398","4401","10.1021/ol3018775","","","0.71073","MoKα","","0.0977","0.0645","","","0.1606","0.1911","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508598","11.582","0.003","12.044","0.003","12.456","0.003","90","","108.772","0.003","90","","1645.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun","Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones.","Organic letters","2012","14","19","4994","4997","10.1021/ol3018787","","","0.71073","MoKα","","0.0945","0.0722","","","0.2003","0.2227","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508599","9.4777","0.0011","24.893","0.003","8.2477","0.001","90","","100.39","0.001","90","","1914","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun","Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones.","Organic letters","2012","14","19","4994","4997","10.1021/ol3018787","","","0.71073","MoKα","","0.0578","0.0423","","","0.1032","0.1137","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508600","11.4787","0.0015","12.459","0.0016","27.785","0.004","90","","90","","90","","3973.6","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H16 N O3 -","- C26 H21 N O3 -","- C208 H168 N8 O24 -","8","2","","Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun","Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones.","Organic letters","2012","14","19","4994","4997","10.1021/ol3018787","","","0.71073","MoKα","","0.0762","0.0528","","","0.1273","0.1433","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508601","5.99198","0.00011","12.094","0.0002","24.5614","0.0005","90","","90.8124","0.0009","90","","1779.71","0.06","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Ikejiri, Masahiro; Tsuchino, Moe; Chihara, Yoshiko; Yamaguchi, Takao; Imanishi, Takeshi; Obika, Satoshi; Miyashita, Kazuyuki","Design and concise synthesis of a novel type of green fluorescent protein chromophore analogue.","Organic letters","2012","14","17","4406","4409","10.1021/ol301901e","","","1.54187","CuKα","","","0.0408","","","","0.0516","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508602","9.47","0.003","10.14","0.003","25.192","0.007","90","","90","","90","","2419.1","1.2","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Fe N2 O4 -","- C28 H26 Fe N2 O4 -","- C112 H104 Fe4 N8 O16 -","4","1","","Imae, Kazumi; Konno, Takashi; Ogata, Kenichi; Fukuzawa, Shin-ichi","Silver/ThioClickFerrophos-catalyzed enantioselective conjugate addition and cycloaddition of glycine imino ester with nitroalkenes.","Organic letters","2012","14","17","4410","4413","10.1021/ol301916t","","","0.71075","MoKα","","","0.0417","","","","0.1351","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508603","8.53926","0.00015","10.9997","0.0002","27.0467","0.0005","90","","90","","90","","2540.48","0.08","198","","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","1","","Imae, Kazumi; Konno, Takashi; Ogata, Kenichi; Fukuzawa, Shin-ichi","Silver/ThioClickFerrophos-catalyzed enantioselective conjugate addition and cycloaddition of glycine imino ester with nitroalkenes.","Organic letters","2012","14","17","4410","4413","10.1021/ol301916t","","","1.54187","CuKα","","","0.0677","","","","0.0611","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508604","11.8531","0.0009","3.8032","0.0003","14.0323","0.0011","90","","106.483","0.001","90","","606.58","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H8 N2 O S -","- C15 H8 N2 O S -","- C30 H16 N4 O2 S2 -","2","1","","Zhu, Yan-ping; Jia, Feng-cheng; Liu, Mei-cai; Wu, An-xin","A multipathway coupled domino strategy: metal-free oxidative cyclization for one-pot synthesis of 2-acylbenzothiazoles from multiform substrates.","Organic letters","2012","14","17","4414","4417","10.1021/ol301921t","","","0.71073","MoKα","","0.0279","0.0259","","","0.0793","0.0974","","","","","","1.264","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508605","9.1444","0.0015","22.89","0.004","7.0366","0.0012","90","","111.33","0.004","90","","1372","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Liu, Chuan; Zhang, Wei; Dai, Li-Xin; You, Shu-Li","Copper(I)-catalyzed cascade dearomatization of 2-substituted tryptophols with iodonium [corrected] salts.","Organic letters","2012","14","17","4525","4527","10.1021/ol301939w","","","0.71073","MoKα","","0.0898","0.0522","","","0.1264","0.1435","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508606","7.0392","0.0002","12.0912","0.0003","19.0161","0.0004","90","","90","","90","","1618.51","0.07","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Acortatarin B","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Wurst, Jacqueline M.; Verano, Alyssa L.; Tan, Derek S.","Stereoselective synthesis of acortatarins A and B.","Organic letters","2012","14","17","4442","4445","10.1021/ol3019456","","","1.54178","CuKα","","0.0362","0.0345","","","0.0853","0.0868","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508607","19.454","0.004","19.454","0.004","39.146","0.008","90","","90","","90","","14815","5","273","","273","","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C75 H76 Ag2 F22 N8 O7 S2 -","- C75 H75 Ag2 F22 N8 O7 S2 -","- C600 H600 Ag16 F176 N64 O56 S16 -","8","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0834","0.0719","","","0.2011","0.213","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508608","9.1074","0.0008","9.6457","0.0008","10.6243","0.0009","74.088","0.002","89.313","0.002","68.561","0.002","831.38","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 F8 N4 -","- C36 H36 F8 N4 -","- C36 H36 F8 N4 -","1","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0729","0.0538","","","0.1521","0.165","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508609","13.471","0.002","9.2889","0.0014","19.222","0.002","90","","134.152","0.006","90","","1725.8","0.4","223","","223","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C37 H44 Ag F3 N4 O3 S -","- C37 H44 Ag F3 N4 O3 S -","- C74 H88 Ag2 F6 N8 O6 S2 -","2","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0535","0.0482","","","0.1325","0.1384","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508610","9.8862","0.0016","14.843","0.003","27.08","0.004","90","","90.119","0.003","90","","3973.7","1.2","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Ag F3 N4 O3 S -","- C41 H52 Ag F3 N4 O3 S -","- C164 H208 Ag4 F12 N16 O12 S4 -","4","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0635","0.0538","","","0.1287","0.1324","","","","","","1.214","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508611","10.159","0.002","15.697","0.003","27.925","0.006","90","","92.69","0.03","90","","4448.2","1.6","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H114 Ag2 F6 N8 O17 S2 -","- C84 H104 Ag2 F6 N8 O17 S2 -","- C168 H208 Ag4 F12 N16 O34 S4 -","2","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0849","0.0613","","","0.1618","0.1757","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508612","9.8526","0.0017","10.1866","0.0018","21.14","0.004","103.865","0.003","96.623","0.004","93.972","0.003","2035.8","0.6","90","","90","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H41 Ag Cl3 F7 N4 O3 S -","- C38 H41 Ag Cl3 F7 N4 O3 S -","- C76 H82 Ag2 Cl6 F14 N8 O6 S2 -","2","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0304","0.0284","","","0.0739","0.0749","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508613","13.3597","0.0018","11.0412","0.0015","18.9587","0.0019","90","","133.837","0.006","90","","2017.2","0.5","298","","298","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H40 Ag F3 N8 O11 S -","- C37 H40 Ag F3 N8 O11 S -","- C74 H80 Ag2 F6 N16 O22 S2 -","2","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.051","0.0489","","","0.1348","0.1381","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508614","11.0721","0.0009","13.0067","0.0011","14.5178","0.0012","94.896","0.002","110.327","0.002","111.728","0.002","1765.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 N8 O8 -","- C36 H40 N8 O8 -","- C72 H80 N16 O16 -","2","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.1","0.0533","","","0.1217","0.1416","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508615","10.1935","0.001","10.3796","0.0011","13.4375","0.0014","79.073","0.002","84","0.002","81.856","0.002","1377.5","0.2","90","","90","","","","","","","","","7","P 1","P 1","1","","","","- C62 H64 Ag F3 N4 O8 S -","- C62 H64 Ag F3 N4 O8 S -","- C62 H64 Ag F3 N4 O8 S -","1","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0795","0.0781","","","0.2013","0.2037","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508616","9.4692","0.0006","5.9128","0.0004","12.8986","0.0007","90","","110.69","0.004","90","","675.61","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","De, Subhadip; Ghosh, Santanu; Bhunia, Subhajit; Sheikh, Javeed Ahmad; Bisai, Alakesh","Intramolecular direct dehydrohalide coupling promoted by KO(t)Bu: total synthesis of Amaryllidaceae alkaloids anhydrolycorinone and oxoassoanine.","Organic letters","2012","14","17","4466","4469","10.1021/ol3019677","","","0.71073","MoKα","","0.0397","0.0366","","","0.1259","0.1351","","","","","","0.611","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508617","7.7247","0.0008","15.2035","0.0015","25.702","0.003","90","","90","","90","","3018.5","0.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl N O4 S Si -","- C28 H42 Cl N O4 S Si -","- C112 H168 Cl4 N4 O16 S4 Si4 -","4","1","","Narumi, Tetsuo; Kobayakawa, Takuya; Aikawa, Haruo; Seike, Shunsuke; Tamamura, Hirokazu","Stereoselective formation of trisubstituted (Z)-chloroalkenes adjacent to a tertiary carbon stereogenic center by organocuprate-mediated reduction/alkylation.","Organic letters","2012","14","17","4490","4493","10.1021/ol301988d","","","1.54187","CuKα","","","0.0777","","","","0.1373","","","","","","1.256","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508618","17.196","0.003","20.217","0.004","27.804","0.005","75.126","0.003","86.009","0.003","66.856","0.002","8585","3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C87.75 H113.75 N5.25 O23.75 -","- C87.7485 H113.746 N5.2495 O23.7495 -","- C350.994 H454.986 N20.998 O94.998 -","4","2","","Yamada, Hitomi; Ikeda, Toshiaki; Mizuta, Tsutomu; Haino, Takeharu","Modified synthesis and supramolecular polymerization of rim-to-rim connected bisresorcinarenes.","Organic letters","2012","14","17","4510","4513","10.1021/ol301996q","","","0.71073","MoKα","","0.191","0.1268","","","0.2652","0.3036","","","","","","1.127","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508619","9.925","0.003","12.634","0.002","13.644","0.003","90","","98.63","0.02","90","","1691.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","","Yan, Xiaoyu; Chen, Chao; Zhou, Yiqing; Xi, Chanjuan","Copper-catalyzed electrophilic amination of alkenylzirconocenes with O-benzoylhydroxylamines: an efficient method for synthesis of enamines.","Organic letters","2012","14","18","4750","4753","10.1021/ol302004t","","","0.71073","MoKα","","0.1087","0.0517","","","0.0876","0.1079","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508620","8.5616","0.0003","13.1029","0.0003","13.4976","0.0004","90","","90","","90","","1514.18","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl N2 O5 -","- C14 H15 Cl N2 O5 -","- C56 H60 Cl4 N8 O20 -","4","1","","Jörres, Manuel; Schiffers, Ingo; Atodiresei, Iuliana; Bolm, Carsten","Asymmetric Michael additions of α-nitrocyclohexanone to aryl nitroalkenes catalyzed by natural amino acid-derived bifunctional thioureas.","Organic letters","2012","14","17","4518","4521","10.1021/ol302005f","","","1.54178","CuKα","","0.0368","0.0363","","","0.0957","0.0963","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508621","8.22449","0.00009","12.53894","0.00014","22.0629","0.0002","95.3801","0.0006","90.5993","0.0006","91.4925","0.0006","2264.28","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C96 H112 N16 O16 -","4","2","","Proulx, Caroline; Lubell, William D.","N-Amino-imidazolin-2-one peptide mimic synthesis and conformational analysis.","Organic letters","2012","14","17","4552","4555","10.1021/ol302021n","","","1.54178","CuKα","","0.0452","0.0406","","","0.108","0.1125","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508622","17.889","0.005","9.575","0.005","27.02","0.005","90","0.006","112.067","0.012","90","0.005","4289","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Crown ether based on Tröger's base","","- C50 H64 N4 O6 -","- C50 H64 N4 O6 -","- C200 H256 N16 O24 -","4","1","","Artacho, Josep; Ascic, Erhad; Rantanen, Toni; Wallentin, Carl-Johan; Dawaigher, Sami; Bergquist, Karl-Erik; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","Tröger's base twisted amides: endo functionalization and synthesis of an inverted crown ether.","Organic letters","2012","14","18","4706","4709","10.1021/ol302022y","","","0.71073","MoKα","","0.1382","0.0775","","","0.1932","0.2134","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508623","5.7402","0.0011","7.5688","0.0013","12.262","0.002","91.074","0.003","99.011","0.002","102.439","0.003","513.05","0.16","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 Br Cl N O -","- C10 H7 Br Cl N O -","- C20 H14 Br2 Cl2 N2 O2 -","2","1","","Zhou, Wei; Xie, Chen; Han, Jianlin; Pan, Yi","Catalyst-free intramolecular oxidative cyclization of N-allylbenzamides: a new route to 2,5-substituted oxazoles.","Organic letters","2012","14","18","4766","4769","10.1021/ol302031z","","","0.71073","MoKα","","0.0493","0.0412","","","0.1016","0.1047","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508624","15.5606","0.0007","9.0491","0.0003","20.4783","0.0007","90","","90","","90","","2883.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Nair, Divya K.; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Synthesis of imidazopyridines from the Morita-Baylis-Hillman acetates of nitroalkenes and convenient access to Alpidem and Zolpidem.","Organic letters","2012","14","17","4580","4583","10.1021/ol3020418","","","0.71073","MoKα","","0.0689","0.0514","","","0.1389","0.154","","","","","","1.096","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508625","10.4946","0.0002","17.9138","0.0004","10.7033","0.0002","90","","94.2147","0.0012","90","","2006.76","0.07","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O7 -","- C23 H25 N O7 -","- C92 H100 N4 O28 -","4","1","","Brown, Patrick D.; Willis, Anthony C.; Sherburn, Michael S.; Lawrence, Andrew L.","Total synthesis of incarviditone and incarvilleatone.","Organic letters","2012","14","17","4537","4539","10.1021/ol302042u","","","0.71073","MoKα","","0.0609","0.0485","","0.1352","0.126","0.1352","","","","","","0.9764","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508626","10.0277","0.0002","10.0277","0.0002","61.0217","0.0012","90","","90","","90","","6136","0.2","133","2","133","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H30 Br N3 O6 S -","- C34 H30 Br N3 O6 S -","- C272 H240 Br8 N24 O48 S8 -","8","1","","Cai, Quan; Liu, Chuan; Liang, Xiao-Wei; You, Shu-Li","Enantioselective construction of pyrroloindolines via chiral phosphoric acid catalyzed cascade Michael addition-cyclization of tryptamines.","Organic letters","2012","14","17","4588","4590","10.1021/ol302043s","","","1.54178","CuKα","","0.0291","0.0286","","","0.0714","0.0717","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508627","21.5","0.005","9.8086","0.0019","18.115","0.004","90","","116.131","0.004","90","","3429.7","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F N2 O -","- C22 H17 F N2 O -","- C176 H136 F8 N16 O8 -","8","1","","Wang, Huiyuan; Li, Lili; Lin, Wei; Xu, Pan; Huang, Zhibin; Shi, Daqing","An efficient synthesis of pyrrolo[2,3,4-kl]acridin-1-one derivatives catalyzed by L-proline.","Organic letters","2012","14","17","4598","4601","10.1021/ol302058g","","","0.7107","MoKα","","0.0638","0.057","","","0.1292","0.1338","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508628","8.3506","0.0006","8.5287","0.0006","12.1084","0.001","94.429","0.006","100.123","0.007","114.107","0.007","764.16","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 Cl F N2 O -","- C20 H10 Cl F N2 O -","- C40 H20 Cl2 F2 N4 O2 -","2","1","","Wang, Huiyuan; Li, Lili; Lin, Wei; Xu, Pan; Huang, Zhibin; Shi, Daqing","An efficient synthesis of pyrrolo[2,3,4-kl]acridin-1-one derivatives catalyzed by L-proline.","Organic letters","2012","14","17","4598","4601","10.1021/ol302058g","","","0.71073","MoKα","","0.0554","0.0414","","","0.092","0.1011","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508629","7.713","0.005","14.167","0.005","11.379","0.005","90","0.005","103.102","0.005","90","0.005","1211","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","","Xu, Shuguang; Huang, Xiaomei; Hong, Xiaohu; Xu, Bin","Palladium-assisted regioselective C-H cyanation of heteroarenes using isonitrile as cyanide source.","Organic letters","2012","14","17","4614","4617","10.1021/ol302070t","","","0.71073","MoKα","","0.0436","0.036","","","0.0962","0.1016","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508630","28.956","0.003","12.8042","0.0011","11.6536","0.001","90","","100.281","0.001","90","","4251.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H50 Cl2 N4 O10 -","- C43 H50 Cl2 N4 O10 -","- C172 H200 Cl8 N16 O40 -","4","0.5","","Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun","Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation.","Organic letters","2012","14","17","4634","4637","10.1021/ol302077n","","","0.71073","MoKα","","0.0531","0.0437","","","0.1144","0.1226","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508631","7.819","0.003","11.48","0.004","9.859","0.004","90","","105.707","0.006","90","","851.9","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Wakabayashi, Ryota; Kurahashi, Takuya; Matsubara, Seijiro","Cobalt(III) porphyrin catalyzed aza-Diels-Alder reaction.","Organic letters","2012","14","18","4794","4797","10.1021/ol3020946","","","0.71073","MoKα","","0.0385","0.0369","","","0.096","0.0973","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508632","10.6082","0.0017","11.042","0.0019","14.459","0.002","72.785","0.003","75.236","0.003","79.948","0.003","1555.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Cl3 N O2 S -","- C34 H30 Cl3 N O2 S -","- C68 H60 Cl6 N2 O4 S2 -","2","1","","Wakabayashi, Ryota; Kurahashi, Takuya; Matsubara, Seijiro","Cobalt(III) porphyrin catalyzed aza-Diels-Alder reaction.","Organic letters","2012","14","18","4794","4797","10.1021/ol3020946","","","0.71073","MoKα","","0.1245","0.0895","","","0.253","0.2867","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508633","9.2967","0.0013","4.9715","0.0007","14.604","0.002","90","","96.137","0.002","90","","671.11","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","BENZOPYRANO[4,3-B]-1,4-OXAZIN","TETRAHYDRO-4-PROPYL-2H,5H-[1]BENZOPYRANO[4,3-B]-1,4-OXAZIN","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C30 H42 N2 O6 -","2","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","x-ray","0.71073","MoKα","","0.0399","0.0344","","","0.0841","0.0865","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508634","6.277","0.004","12.925","0.007","22.242","0.012","90","","90","","90","","1804.5","1.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-amino-6-methoxychroman-4-one","3-(2-trimethylsilylethansulfonyl)amido-6-methoxychroman-4-one","","- C15 H23 N O5 S Si -","- C15 H23 N O5 S Si -","- C60 H92 N4 O20 S4 Si4 -","4","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","x-ray","0.71073","MoKα","","0.0291","0.0272","","","0.0698","0.0709","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508635","6.0163","0.0004","11.5254","0.0008","24.3425","0.0018","90","","90","","90","","1687.9","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O3 S Si -","- C14 H25 N O3 S Si -","- C56 H100 N4 O12 S4 Si4 -","4","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","","0.71073","MoKα","","0.022","0.0214","","","0.0573","0.0577","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508636","9.3159","0.0014","11.7847","0.0018","15.718","0.002","91.746","0.003","99.673","0.004","90.051","0.004","1700.2","0.4","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl I N O -","- C20 H17 Cl I N O -","- C80 H68 Cl4 I4 N4 O4 -","4","2","","Petrone, David A.; Malik, Hasnain A.; Clemenceau, Antonin; Lautens, Mark","Functionalized chromans and isochromans via a diastereoselective Pd(0)-catalyzed carboiodination.","Organic letters","2012","14","18","4806","4809","10.1021/ol302111y","","","0.71073","MoKα","","0.0546","0.0445","","","0.1161","0.1188","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508637","14.2621","0.0004","16.5312","0.0006","6.638","0.0002","90","","90","","90","","1565.04","0.09","147","2","147","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C72 H68 I4 O12 -","4","1","","Petrone, David A.; Malik, Hasnain A.; Clemenceau, Antonin; Lautens, Mark","Functionalized chromans and isochromans via a diastereoselective Pd(0)-catalyzed carboiodination.","Organic letters","2012","14","18","4806","4809","10.1021/ol302111y","","","0.71073","MoKα","","0.0355","0.0252","","","0.0473","0.0505","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508638","7.8127","0.0006","11.0446","0.0006","16.6137","0.001","90","","99.9584","0.0018","90","","1411.97","0.16","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Park, Hyun Bong; Kim, Young-Joo; Lee, Jae Kyun; Lee, Kang Ro; Kwon, Hak Cheol","Spirobacillenes A and B, unusual spiro-cyclopentenones from Lysinibacillus fusiformis KMC003.","Organic letters","2012","14","19","5002","5005","10.1021/ol302115z","","","0.71075","MoKα","","","0.0368","","","","0.1061","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508639","6.1607","0.0002","15.6317","0.0007","11.1413","0.0005","90","","90.347","0.002","90","","1072.91","0.08","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O5 S -","- C22 H17 F3 N2 O5 S -","- C44 H34 F6 N4 O10 S2 -","2","1","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.0806","0.0379","","","0.0683","0.0733","","","","","","0.797","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508640","5.9853","0.0001","16.2493","0.0003","10.5283","0.0002","90","","90.47","0.03","90","","1023.92","0.03","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O4 S -","- C22 H17 F3 N2 O4 S -","- C44 H34 F6 N4 O8 S2 -","2","1","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.0375","0.0331","","","0.0809","0.0837","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508641","12.5078","0.0003","9.4222","0.0002","18.6676","0.0006","90","","94.411","0.001","90","","2193.48","0.1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H19 Br N2 O2 -","- C27 H19 Br N2 O2 -","- C108 H76 Br4 N8 O8 -","4","2","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.074","0.0404","","","0.0903","0.097","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508642","7.573","0.005","7.603","0.005","23.79","0.016","97.374","0.013","94.761","0.011","91.033","0.009","1353.2","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 B F2 N O S -","- C15 H10 B F2 N O S -","- C60 H40 B4 F8 N4 O4 S4 -","4","2","","Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand.","Organic letters","2012","14","17","4682","4685","10.1021/ol302179r","","","0.71075","MoKα","","0.102","0.0534","","","0.1103","0.1339","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508643","9.42","0.0015","22.286","0.004","21.009","0.005","90","","90","","90","","4410.5","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","benzothia_BPh2","","","- C27 H20 B N O S -","- C27 H20 B N O S -","- C216 H160 B8 N8 O8 S8 -","8","1","","Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand.","Organic letters","2012","14","17","4682","4685","10.1021/ol302179r","","","0.71075","MoKα","","0.0828","0.0591","","","0.1378","0.1533","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508644","10.7579","0.0003","11.8769","0.0003","13.9733","0.0004","90","","90","","90","","1785.38","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Mohanan, Kishor; Coquerel, Yoann; Rodriguez, Jean","Transition-metal-free α-arylation of β-keto amides via an interrupted insertion reaction of arynes.","Organic letters","2012","14","17","4686","4689","10.1021/ol302180v","","x-ray","0.71073","MoKα","","0.0916","0.059","","","0.152","0.1918","","","","","","1.234","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508645","8.2769","0.0003","12.3605","0.0004","13.4157","0.0004","90","","90","","90","","1372.51","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Ding, Jian-Hai; Feng, Tao; Li, Zheng-Hui; Yang, Xiao-Yan; Guo, Hua; Yin, Xia; Wang, Gang-Qiang; Liu, Ji-Kai","Trefolane A, a sesquiterpenoid with a new skeleton from cultures of the basidiomycete Tremella foliacea.","Organic letters","2012","14","18","4976","4978","10.1021/ol302184r","","","1.54178","CuKα","","0.0342","0.0342","","","0.0888","0.0888","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508646","5.927","0.005","12.535","0.005","24.978","0.005","90","","90","","90","","1855.7","1.8","293","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O5 S -","- C19 H27 N O5 S -","- C76 H108 N4 O20 S4 -","4","1","","Bardají, Nuria; Sánchez-Izquierdo, Francisco; Alibés, Ramón; Font, Josep; Busqué, Félix; Figueredo, Marta","Flexible approach to stemona alkaloids: total syntheses of (-)-stemospironine and three new diastereoisomeric analogs.","Organic letters","2012","14","18","4854","4857","10.1021/ol302185j","","","0.7379","MoKα","","0.1175","0.0638","","","0.1329","0.1581","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508647","7.8712","0.0002","8.5353","0.0002","11.5772","0.0003","80.313","0.001","79.366","0.001","68.638","0.001","707.56","0.03","157","1","157","1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H10 O4 -","- C20 H10 O4 -","- C40 H20 O8 -","2","1","","Podlesny, Erin E.; Carroll, Patrick J.; Kozlowski, Marisa C.","Selective oxidation of 8,8'-hydroxylated binaphthols to bis-spironaphthalenones or binaphtho-para- and binaphtho-ortho-quinones.","Organic letters","2012","14","18","4862","4865","10.1021/ol302195e","","","0.71073","MoKα","","0.0363","0.0334","","","0.0853","0.088","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508648","11.3087","0.0006","13.2371","0.0008","11.233","0.0007","90","","102.401","0.002","90","","1642.28","0.17","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O6 -","- C22 H14 O6 -","- C88 H56 O24 -","4","1","","Podlesny, Erin E.; Carroll, Patrick J.; Kozlowski, Marisa C.","Selective oxidation of 8,8'-hydroxylated binaphthols to bis-spironaphthalenones or binaphtho-para- and binaphtho-ortho-quinones.","Organic letters","2012","14","18","4862","4865","10.1021/ol302195e","","","0.71073","MoKα","","0.0559","0.0361","","","0.1186","0.163","","","","","","1.32","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508649","12.1645","0.0013","6.6205","0.0006","20.4873","0.0017","90","","102.566","0.005","90","","1610.4","0.3","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","1","","Podlesny, Erin E.; Carroll, Patrick J.; Kozlowski, Marisa C.","Selective oxidation of 8,8'-hydroxylated binaphthols to bis-spironaphthalenones or binaphtho-para- and binaphtho-ortho-quinones.","Organic letters","2012","14","18","4862","4865","10.1021/ol302195e","","","0.71073","MoKα","","0.0486","0.0375","","","0.0819","0.0861","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508650","9.7896","0.0017","12.162","0.002","15.496","0.003","106.137","0.004","93.384","0.005","90.748","0.005","1768.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O S2 -","- C22 H16 O S2 -","- C88 H64 O4 S8 -","4","2","","Das, Debjit; Pratihar, Sanjay; Roy, Sujit","Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles","Organic Letters","2012","14","18","4870","4873","10.1021/ol3021995","","","0.71073","MoKα","","0.1061","0.0463","","","0.1052","0.1355","","","","","","0.989","","","","has coordinates","218640","2020-10-21","18:00:00",""
"1508651","9.6431","0.0013","19.913","0.003","11.4754","0.0015","90","","95.085","0.004","90","","2194.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N O3 -","- C27 H25 N O3 -","- C108 H100 N4 O12 -","4","2","","Das, Debjit; Pratihar, Sanjay; Roy, Sujit","Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles","Organic Letters","2012","14","18","4870","4873","10.1021/ol3021995","","","0.71073","MoKα","","0.4132","0.083","","","0.0919","0.1783","","","","","","0.83","","","","has coordinates","218640","2020-10-21","18:00:00",""
"1508652","12.9195","0.0007","16.8233","0.0009","18.7031","0.0011","90","","119.854","0.004","90","","3525.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl4 P2 Pd Sn -","- C36 H30 Cl4 P2 Pd Sn -","- C144 H120 Cl16 P8 Pd4 Sn4 -","4","1","","Das, Debjit; Pratihar, Sanjay; Roy, Sujit","Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles","Organic Letters","2012","14","18","4870","4873","10.1021/ol3021995","","","0.71073","MoKα","","0.0845","0.0565","","","0.1675","0.1934","","","","","","1.327","","","","has coordinates","218640","2020-10-21","18:00:00",""
"1508653","10.0065","0.0008","11.098","0.0009","12.8083","0.001","72.456","0.001","86.613","0.001","63.391","0.001","1207.76","0.17","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 N O3 S2 -","- C24 H37 N O3 S2 -","- C48 H74 N2 O6 S4 -","2","1","","Tanaka, Ryo; Ohishi, Kentaro; Takanashi, Noriyuki; Nagano, Tomohiko; Suizu, Hiroshi; Suzuki, Takahiro; Kobayashi, Susumu","Synthetic study of pyrrocidines: first entry to the decahydrofluorene core of pyrrocidines.","Organic letters","2012","14","18","4886","4889","10.1021/ol3022116","","","0.71073","MoKα","","0.0376","0.0346","","","0.0921","0.0947","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508654","10.6813","0.0006","16.8095","0.001","21.7327","0.0013","90","","95.302","0.001","90","","3885.4","0.4","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 O5 -","- C18 H32 O5 -","- C144 H256 O40 -","8","2","","Harrison, Tyler J.; Rabbat, Philippe M. A.; Leighton, James L.","An ""aprotic"" Tamao oxidation/syn-selective tautomerization reaction for the efficient synthesis of the C1-C9 fragment of fludelone.","Organic letters","2012","14","18","4890","4893","10.1021/ol302221s","","","0.71073","MoKα","","0.1032","0.0507","","","0.1133","0.139","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508655","7.3253","0.0006","24.5749","0.0012","8.0859","0.0007","90","","116.611","0.011","90","","1301.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","","Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.","Organic letters","2012","14","19","5034","5037","10.1021/ol302237k","","","1.54178","CuKα","","0.093","0.0557","","","0.1431","0.1738","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508656","9.4598","0.0002","7.6176","0.0001","10.0179","0.0002","90","","95.575","0.002","90","","718.48","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.","Organic letters","2012","14","19","5034","5037","10.1021/ol302237k","","","1.54178","CuKα","","0.0323","0.0316","","","0.0888","0.0895","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508657","7.4623","0.0008","7.9403","0.0009","14.3735","0.0015","100.622","0.009","92.419","0.009","112.362","0.01","768.19","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.","Organic letters","2012","14","19","5034","5037","10.1021/ol302237k","","","1.54178","CuKα","","0.1344","0.0885","","","0.2256","0.2525","","","","","","1.433","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508658","18.3","0.02","3.974","0.005","11.7","0.02","90","0.003","104.608","0.003","90","0.003","823","2","293.2","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 S4 -","- C22 H10 S4 -","- C44 H20 S8 -","2","0.5","","Yamamoto, Tatsuya; Nishimura, Takeshi; Mori, Takamichi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo","Largely π-extended thienoacenes with internal thieno[3,2-b]thiophene substructures: synthesis, characterization, and organic field-effect transistor applications.","Organic letters","2012","14","18","4914","4917","10.1021/ol302243t","","","0.7107","MoKα","","","0.0878","","","","0.2062","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508659","8.2024","0.0006","13.1986","0.0009","22.0399","0.0016","90","","90.798","0.003","90","","2385.8","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","NOOLE 035 R4","(R)-3,4-Dichloro-3-((S)-2-nitro-1-phenylethyl)indolin-2-one","","- C16 H12 Cl2 N2 O3 -","- C16 H12 Cl2 N2 O3 -","- C96 H72 Cl12 N12 O18 -","6","3","","Noole, Artur; Järving, Ivar; Werner, Franz; Lopp, Margus; Malkov, Andrei; Kanger, Tōnis","Organocatalytic asymmetric synthesis of 3-chlorooxindoles bearing adjacent quaternary-tertiary centers.","Organic letters","2012","14","18","4922","4925","10.1021/ol302245b","","","0.71073","MoKα","","0.0457","0.0379","","","0.0855","0.0901","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508660","8.6594","0.0012","10.1961","0.0015","13.4694","0.0019","75.93","0.002","72.355","0.002","72.025","0.003","1063.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 F3 O4 -","- C23 H23 F3 O4 -","- C46 H46 F6 O8 -","2","1","","Liu, Jun; Liu, Yuanhong","Gold-catalyzed cyclizations of (o-alkynyl)phenoxyacrylates with external nucleophiles: regio- and stereoselective synthesis of functionalized benzo[b]oxepines.","Organic letters","2012","14","18","4742","4745","10.1021/ol302252h","","","0.71073","MoKα","","0.0652","0.0496","","","0.1336","0.1445","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508661","11.455","0.001","9.7275","0.0008","16.9207","0.0015","90","","91.34","0.002","90","","1884.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C80 H88 O16 S4 -","4","1","","Liu, Jun; Liu, Yuanhong","Gold-catalyzed cyclizations of (o-alkynyl)phenoxyacrylates with external nucleophiles: regio- and stereoselective synthesis of functionalized benzo[b]oxepines.","Organic letters","2012","14","18","4742","4745","10.1021/ol302252h","","","0.71073","MoKα","","0.0767","0.0577","","","0.1549","0.1672","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508662","27.97","0.002","10.9798","0.0008","18.1836","0.0014","90","","109.909","0.001","90","","5250.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N O5 S -","- C29 H31 N O5 S -","- C232 H248 N8 O40 S8 -","8","1","","Liu, Jun; Liu, Yuanhong","Gold-catalyzed cyclizations of (o-alkynyl)phenoxyacrylates with external nucleophiles: regio- and stereoselective synthesis of functionalized benzo[b]oxepines.","Organic letters","2012","14","18","4742","4745","10.1021/ol302252h","","","0.71073","MoKα","","0.0694","0.0556","","","0.1484","0.1601","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508663","11.0313","0.0003","9.5234","0.0002","31.3481","0.0008","90","","90","","90","","3293.29","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 F N2 O4 -","- C19 H15 F N2 O4 -","- C152 H120 F8 N16 O32 -","8","1","","Smith, Donna L.; Chidipudi, Suresh Reddy; Goundry, William R.; Lam, Hon Wai","Rhodium-catalyzed [2 + 2] cycloaddition of ynamides with nitroalkenes.","Organic letters","2012","14","18","4934","4937","10.1021/ol302259v","","","1.54178","CuKα","","0.0438","0.0376","","","0.0924","0.0974","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508664","15.842","0.005","6.005","0.0019","24.945","0.008","90","","96.813","0.004","90","","2356.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Br N2 O5 -","- C25 H29 Br N2 O5 -","- C100 H116 Br4 N8 O20 -","4","1","","Barcan, Gregg A.; Patel, Ashay; Houk, K. N.; Kwon, Ohyun","A torquoselective 6π electrocyclization approach to reserpine alkaloids.","Organic letters","2012","14","21","5388","5391","10.1021/ol302265z","","","0.71073","MoKα","","0.0669","0.0406","","","0.0833","0.0923","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508665","14.898","0.011","11.174","0.008","19.457","0.014","90","","111.684","0.007","90","","3010","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N2 O6 -","- C34 H38 N2 O6 -","- C136 H152 N8 O24 -","4","1","","Barcan, Gregg A.; Patel, Ashay; Houk, K. N.; Kwon, Ohyun","A torquoselective 6π electrocyclization approach to reserpine alkaloids.","Organic letters","2012","14","21","5388","5391","10.1021/ol302265z","","","0.71073","MoKα","","0.1376","0.0745","","","0.1763","0.2072","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508666","5.7984","0.0006","8.1094","0.0008","27.979","0.003","90","","90.804","0.003","90","","1315.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Chen, Feng; Shen, Tao; Cui, Yuxin; Jiao, Ning","2,4- vs 3,4-disubsituted pyrrole synthesis switched by copper and nickel catalysts.","Organic letters","2012","14","18","4926","4929","10.1021/ol302270z","","","0.71073","MoKα","","0.0552","0.0383","","","0.0887","0.104","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508667","15.7767","0.001","14.3048","0.001","24.0147","0.0016","90","","90","","90","","5419.7","0.6","90","0.5","90","0.5","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C92.25 H46 -","- C80 H32 -","- C320 H128 -","4","1","","Yanney, Michael; Fronczek, Frank R.; Sygula, Andrzej","Corannulene subunit acts as a diene in a cycloaddition reaction: synthesis of C80H32 corannulyne tetramer.","Organic letters","2012","14","18","4942","4945","10.1021/ol302274j","","","1.54178","CuKα","","0.0824","0.0553","","","0.1065","0.1168","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508668","12.1767","0.0007","13.3547","0.0007","10.367","0.0006","90","","98.454","0.001","90","","1667.52","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Mo, Dong-Liang; Wink, Donald A.; Anderson, Laura L.","Preparation and rearrangement of N-vinyl nitrones: synthesis of spiroisoxazolines and fluorene-tethered isoxazoles.","Organic letters","2012","14","20","5180","5183","10.1021/ol3022885","","x-ray","0.71073","MoKα","","0.0669","0.0548","","","0.1575","0.1679","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508669","12.4131","0.0019","12.868","0.002","13.645","0.002","94.697","0.003","97.648","0.003","96.324","0.003","2136.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","2","","Mo, Dong-Liang; Wink, Donald A.; Anderson, Laura L.","Preparation and rearrangement of N-vinyl nitrones: synthesis of spiroisoxazolines and fluorene-tethered isoxazoles.","Organic letters","2012","14","20","5180","5183","10.1021/ol3022885","","","0.71073","MoKα","","0.1686","0.0745","","","0.2274","0.3084","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508670","12.248","0.003","9.8892","0.0014","18.728","0.003","90","","101.406","0.019","90","","2223.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C120 H100 N4 O8 -","4","1","","Aggarwal, Trapti; Jha, Rajeev R.; Tiwari, Rakesh K.; Kumar, Sonu; Kotla, Siva K Reddy; Kumar, Sushil; Verma, Akhilesh K.","Palladium-catalyzed regioselective [3 + 2] annulation of internal alkynes and iodo-pyranoquinolines with concomitant ring opening.","Organic letters","2012","14","20","5184","5187","10.1021/ol3022935","","","0.71073","MoKα","","0.1526","0.0905","","","0.1553","0.179","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508671","14.1464","0.0007","19.8061","0.0007","9.9041","0.0004","90","","105.253","0.005","90","","2677.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N O2 -","- C35 H30 N O2 -","- C140 H120 N4 O8 -","4","1","","Aggarwal, Trapti; Jha, Rajeev R.; Tiwari, Rakesh K.; Kumar, Sonu; Kotla, Siva K Reddy; Kumar, Sushil; Verma, Akhilesh K.","Palladium-catalyzed regioselective [3 + 2] annulation of internal alkynes and iodo-pyranoquinolines with concomitant ring opening.","Organic letters","2012","14","20","5184","5187","10.1021/ol3022935","","","0.71073","MoKα","","0.0569","0.0492","","","0.1243","0.1291","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508672","9.2972","0.0008","28.872","0.003","10.5273","0.0009","90","","108.994","0.001","90","","2672","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O3 -","- C30 H27 Cl N2 O3 -","- C120 H108 Cl4 N8 O12 -","4","1","","Jiang, Bo; Li, Qiu-Yun; Tu, Shu-Jiang; Li, Guigen","Three-component domino reactions for selective formation of indeno[1,2-b]indole derivatives.","Organic letters","2012","14","20","5210","5213","10.1021/ol3023038","","","0.71073","MoKα","","0.1417","0.0524","","","0.0643","0.0737","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508673","11.2385","0.0011","13.7508","0.0014","11.8921","0.0012","90","","95.111","0.001","90","","1830.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Jiang, Bo; Li, Qiu-Yun; Tu, Shu-Jiang; Li, Guigen","Three-component domino reactions for selective formation of indeno[1,2-b]indole derivatives.","Organic letters","2012","14","20","5210","5213","10.1021/ol3023038","","","0.71073","MoKα","","0.1216","0.0551","","","0.124","0.1618","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508674","14.6566","0.0015","15.3994","0.0017","21.545","0.002","90","","94.645","0.001","90","","4846.8","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25.5 F N2 O4.5 -","- C28 H25.5 F N2 O4.5 -","- C224 H204 F8 N16 O36 -","8","1","","Jiang, Bo; Li, Qiu-Yun; Tu, Shu-Jiang; Li, Guigen","Three-component domino reactions for selective formation of indeno[1,2-b]indole derivatives.","Organic letters","2012","14","20","5210","5213","10.1021/ol3023038","","","0.71073","MoKα","","0.1535","0.0576","","","0.0807","0.0946","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508675","9.6216","0.001","11.7391","0.0012","12.5857","0.0014","70.506","0.002","75.876","0.002","75.746","0.002","1278.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N O5 S -","- C30 H27 N O5 S -","- C60 H54 N2 O10 S2 -","2","1","","Hu, Jian; Tian, Bing; Wu, Xinyan; Tong, Xiaofeng","Tertiary amine-triggered cascade S(N)2/cycloaddition: an efficient construction of complex azaheterocycles under mild conditions.","Organic letters","2012","14","19","5074","5077","10.1021/ol302329b","","","0.71073","MoKα","","0.0541","0.0467","","","0.1265","0.1325","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508676","13.339","0.003","18.975","0.004","6.8571","0.0015","90","","90","","90","","1735.6","0.7","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H19 B F2 N4 O -","- C19 H19 B F2 N4 O -","- C76 H76 B4 F8 N16 O4 -","4","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.074","0.0492","","","0.1006","0.1248","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508677","10.873","0.003","14.773","0.004","11.623","0.003","90","","92.752","0.004","90","","1864.8","0.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F8 N4 O -","- C19 H13 B F8 N4 O -","- C76 H52 B4 F32 N16 O4 -","4","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.0595","0.042","","","0.092","0.1009","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508678","18.636","0.004","10.788","0.002","15.333","0.003","90","","94.98","0.03","90","","3071","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 B F2 N3 O -","- C17 H14 B F2 N3 O -","- C136 H112 B8 F16 N24 O8 -","8","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.0461","0.0387","","","0.1081","0.1145","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508679","25.865","0.005","7.4047","0.0015","15.416","0.003","90","","97.89","0.03","90","","2924.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N3 O1.5 -","- C17 H16 N3 O1.5 -","- C136 H128 N24 O12 -","8","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.0916","0.0421","","","0.1072","0.1337","","","","","","1.032","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1508680","23.4787","0.0018","6.9212","0.0006","16.9815","0.0012","90","","107.401","0.003","90","","2633.2","0.4","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O0.5 -","- C18 H15 N2 O0.5 -","- C144 H120 N16 O4 -","8","1","","Ammermann, Sven; Hrib, Christian; Jones, Peter G.; du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Pyrrolo[1,2-a]quinoxalines: novel synthesis via annulation of 2-alkylquinoxalines.","Organic letters","2012","14","19","5090","5093","10.1021/ol302348v","","","0.71073","MoKα","","0.0692","0.0447","","","0.1181","0.1323","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508681","8.3778","0.0004","11.2485","0.0006","15.3805","0.0008","90","","103.626","0.003","90","","1408.63","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Ammermann, Sven; Hrib, Christian; Jones, Peter G.; du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Pyrrolo[1,2-a]quinoxalines: novel synthesis via annulation of 2-alkylquinoxalines.","Organic letters","2012","14","19","5090","5093","10.1021/ol302348v","","","0.71073","MoKα","","0.0459","0.0407","","","0.1134","0.119","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508682","11.0306","0.0006","3.906","0.0002","26.505","0.002","90","","91.877","0.004","90","","1141.37","0.12","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Br N O -","- C15 H8 Br N O -","- C60 H32 Br4 N4 O4 -","4","1","","Choi, Young Lok; Lim, Hye Sun; Lim, Hwan Jung; Heo, Jung-Nyoung","One-pot transition-metal-free synthesis of dibenzo[b,f]oxepins from 2-halobenzaldehydes.","Organic letters","2012","14","19","5102","5105","10.1021/ol302371s","","","0.71073","MoKα","","0.0472","0.0379","","","0.0835","0.0876","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508683","9.3","0.04","18.67","0.08","19.8","0.04","90","","90","","90","","3438","2","239.05","0.1","239.05","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","1","","Yang, Ming; Wang, Lin; He, Zheng-He; Wang, Shao-Hua; Zhang, Shu-Yu; Tu, Yong-Qiang; Zhang, Fu-Min","Tandem semipinacol-type 1,2-carbon migration/aldol reaction toward the construction of [5-6-7] all-carbon tricyclic core of Calyciphylline A-type alkaloids.","Organic letters","2012","14","19","5114","5117","10.1021/ol302386g","","","0.7107","MoKα","","0.0839","0.0562","","","0.1334","0.153","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508684","8.404","0.006","12.59","0.009","12.974","0.01","97.43","0.007","103.628","0.007","96.743","0.007","1307.2","1.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","2","","Yang, Ming; Wang, Lin; He, Zheng-He; Wang, Shao-Hua; Zhang, Shu-Yu; Tu, Yong-Qiang; Zhang, Fu-Min","Tandem semipinacol-type 1,2-carbon migration/aldol reaction toward the construction of [5-6-7] all-carbon tricyclic core of Calyciphylline A-type alkaloids.","Organic letters","2012","14","19","5114","5117","10.1021/ol302386g","","","0.71073","MoKα","","0.0824","0.0521","","","0.1281","0.147","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508685","7.2934","0.0005","10.8198","0.0007","26.137","0.0016","90","","91.847","0.002","90","","2061.5","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br Cl N2 O5 S -","- C17 H24 Br Cl N2 O5 S -","- C68 H96 Br4 Cl4 N8 O20 S4 -","4","1","","Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung","Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.","Organic letters","2012","14","20","5250","5253","10.1021/ol3024105","","","0.71073","MoKα","","0.1061","0.0672","","","0.1608","0.1778","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508686","11.4136","0.0011","11.557","0.0012","28.331","0.003","90","","90","","90","","3737.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cl N2 O5 S -","- C17 H23 Cl N2 O5 S -","- C136 H184 Cl8 N16 O40 S8 -","8","1","","Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung","Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.","Organic letters","2012","14","20","5250","5253","10.1021/ol3024105","","","0.71073","MoKα","","0.0503","0.0418","","","0.1005","0.1052","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508687","33.128","0.004","11.5838","0.0013","10.9008","0.0012","90","","106.391","0.002","90","","4013.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 Cl N2 O7 S -","- C18 H23 Cl N2 O7 S -","- C144 H184 Cl8 N16 O56 S8 -","8","1","","Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung","Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.","Organic letters","2012","14","20","5250","5253","10.1021/ol3024105","","","0.71073","MoKα","","0.055","0.0455","","","0.1162","0.1276","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508688","10.8909","0.0003","13.7047","0.0004","34.1253","0.0009","90","","90","","90","","5093.4","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 O12 -","- C30 H34 O6 -","- C240 H272 O48 -","8","2","","Shao, Meng; Wang, Ying; Jian, Yu-Qing; Huang, Xiao-Jun; Zhang, Dong-Mei; Tang, Qing-Fa; Jiang, Ren-Wang; Sun, Xue-Gang; Lv, Zhi-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai","Guadial A and psiguadials C and D, three unusual meroterpenoids from Psidium guajava.","Organic letters","2012","14","20","5262","5265","10.1021/ol302423b","","","1.54184","CuKα","","0.0397","0.0355","","","0.0909","0.0942","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508689","9.2006","0.0012","19.587","0.002","11.9092","0.0015","90","","104.475","0.004","90","","2078.1","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 N3 O -","- C30 H19 N3 O -","- C120 H76 N12 O4 -","4","1","","Hao, Wen-Juan; Xu, Xiao-Ping; Bai, Hui-Wen; Wang, Shun-Yi; Ji, Shun-Jun","Efficient multicomponent strategy to pentacyclic pyrazole-fused naphtho[1,8-fg]isoquinolines through cleavage of two carbon-carbon bonds.","Organic letters","2012","14","18","4894","4897","10.1021/ol302452j","","","0.71075","MoKα","","0.1243","0.0789","","","0.1328","0.1517","","","","","","1.16","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508690","14.9959","0.0002","7.1013","0.0001","18.0983","0.0004","90","","113.682","0.0007","90","","1765","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 Cl N2 O4 -","- C17 H21 Cl N2 O4 -","- C68 H84 Cl4 N8 O16 -","4","2","","Barber, David M.; Sanganee, Hitesh J.; Dixon, Darren J.","One-pot catalytic enantioselective synthesis of tetrahydropyridines via a nitro-Mannich/hydroamination cascade.","Organic letters","2012","14","20","5290","5293","10.1021/ol302459c","","","0.71073","MoKα","","0.0554","0.0379","","0.0931","0.0779","0.0931","","","","","","0.9095","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508691","12.5953","0.0011","6.309","0.0005","12.71","0.001","90","","110.532","0.003","90","","945.83","0.14","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C40 H54 N2 O8 -","2","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","0.71075","MoKα","","","0.0338","","","","0.1096","","","","","","0.868","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508692","25.422","0.005","6.1383","0.0013","12.182","0.003","90","","98.781","0.005","90","","1878.7","0.7","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","0.71075","MoKα","","","0.0642","","","","0.1677","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508693","24.942","0.0005","6.13836","0.00011","12.4356","0.0003","90","","97.4055","0.0009","90","","1888.05","0.07","123","","123","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","1.54187","CuKα","","","0.0397","","","","0.1066","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508694","10.2747","0.0005","12.2094","0.0006","10.319","0.0005","90","","111.243","0.003","90","","1206.54","0.1","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N3 O9 -","- C23 H29 N3 O9 -","- C46 H58 N6 O18 -","2","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","1.54187","CuKα","","","0.0696","","","","0.1492","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508695","5.7572","0.0001","11.6775","0.0002","19.3379","0.0004","90","","90","","90","","1300.08","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Yang, Xiao-Yan; Feng, Tao; Li, Zheng-Hui; Sheng, Yu; Yin, Xia; Leng, Ying; Liu, Ji-Kai","Conosilane A, an unprecedented sesquiterpene from the cultures of basidiomycete Conocybe siliginea.","Organic letters","2012","14","20","5382","5384","10.1021/ol302468a","","","1.54178","CuKα","","0.0357","0.0357","","","0.1106","0.1108","","","","","","1.165","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508696","8.0748","0.0006","15.1323","0.0012","29.19","0.002","98.815","0.005","92.189","0.005","105.25","0.004","3388.9","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C20 H31 Br N2 O5 -","- C20 H31 Br N2 O5 -","- C120 H186 Br6 N12 O30 -","6","6","","Goldberg, Alexander F. G.; O'Connor, Nicholas R; Craig, 2nd, Robert A; Stoltz, Brian M.","Lewis acid mediated (3 + 2) cycloadditions of donor-acceptor cyclopropanes with heterocumulenes.","Organic letters","2012","14","20","5314","5317","10.1021/ol302494n","","","0.71073","MoKα","","0.0741","0.0565","","","0.1131","0.1152","","","","","","1.641","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508697","14.5982","0.001","16.162","0.0012","8.2014","0.0006","90","","92.145","0.004","90","","1933.7","0.2","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","","Goldberg, Alexander F. G.; O'Connor, Nicholas R; Craig, 2nd, Robert A; Stoltz, Brian M.","Lewis acid mediated (3 + 2) cycloadditions of donor-acceptor cyclopropanes with heterocumulenes.","Organic letters","2012","14","20","5314","5317","10.1021/ol302494n","","","0.71073","MOKα","","0.1034","0.0592","","","0.1221","0.1431","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508698","8.5917","0.0009","14.176","0.0015","11.4969","0.0012","90","","97.865","0.002","90","","1387.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 N O3 -","- C13 H24 N O3 -","- C52 H96 N4 O12 -","4","1","","Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej","Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.","Organic letters","2012","14","20","5322","5325","10.1021/ol302506f","","","0.41328","synchrotron","","0.0674","0.0465","","","0.142","0.1659","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508699","8.025","0.0004","9.9052","0.0005","8.9614","0.0004","90","","92.41","0.001","90","","711.7","0.06","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C30 H46 N2 O6 -","2","0.5","","Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej","Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.","Organic letters","2012","14","20","5322","5325","10.1021/ol302506f","","","0.41238","synchrotron","","0.106","0.0963","","0.2912","0.2519","0.2618","","","","","","1.0709","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508700","11.5624","0.0012","11.0144","0.0011","10.9255","0.0011","90","","104.417","0.002","90","","1347.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N O2 -","- C15 H24 N O2 -","- C60 H96 N4 O8 -","4","1","","Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej","Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.","Organic letters","2012","14","20","5322","5325","10.1021/ol302506f","","","0.71073","MoKα","","0.0509","0.0389","","","0.0989","0.1065","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508701","10.1217","0.0002","5.2676","0.0001","25.2607","0.0005","90","","98.691","0.001","90","","1331.36","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","","Lu, Hongjian; Hu, Yang; Jiang, Huiling; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective radical amination of electron-deficient C(sp3)-H bonds by Co(II)-based metalloradical catalysis: direct synthesis of α-amino acid derivatives via α-C-H amination.","Organic letters","2012","14","19","5158","5161","10.1021/ol302511f","","","1.54178","CuKα","","0.0414","0.0364","","","0.0941","0.0969","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508702","5.099","0.0002","15.0874","0.0007","20.8353","0.001","90","","96.234","0.003","90","","1593.39","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O3 S -","- C16 H22 N2 O3 S -","- C64 H88 N8 O12 S4 -","4","1","","Lu, Hongjian; Hu, Yang; Jiang, Huiling; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective radical amination of electron-deficient C(sp3)-H bonds by Co(II)-based metalloradical catalysis: direct synthesis of α-amino acid derivatives via α-C-H amination.","Organic letters","2012","14","19","5158","5161","10.1021/ol302511f","","","1.54178","CuKα","","0.0664","0.0461","","","0.1119","0.1239","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508703","10.5533","0.0002","14.5967","0.0002","10.1764","0.0002","90","","96.78","0.001","90","","1556.64","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 S -","- C16 H22 N2 O3 S -","- C64 H88 N8 O12 S4 -","4","1","","Lu, Hongjian; Hu, Yang; Jiang, Huiling; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective radical amination of electron-deficient C(sp3)-H bonds by Co(II)-based metalloradical catalysis: direct synthesis of α-amino acid derivatives via α-C-H amination.","Organic letters","2012","14","19","5158","5161","10.1021/ol302511f","","","1.54178","CuKα","","0.0404","0.0351","","","0.0904","0.0941","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508704","7.7423","0.0018","11.828","0.003","12.677","0.003","73.699","0.007","86.956","0.007","83.755","0.007","1107.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","TIPS-Bpin-BDF","TIPS-Bpin-BDF","","- C40 H68 B2 O6 Si2 -","- C40 H68 B2 O6 Si2 -","- C40 H68 B2 O6 Si2 -","1","0.5","","Nakano, Masahiro; Shinamura, Shoji; Sugimoto, Ryusuke; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Borylation on benzo[1,2-b:4,5-b']- and naphtho[1,2-b:5,6-b']dichalcogenophenes: different chalcogene atom effects on borylation reaction depending on fused ring structure.","Organic letters","2012","14","21","5448","5451","10.1021/ol302521d","","","0.71075","MoKα","","0.0654","0.0561","","","0.1826","0.1902","","","","","","1.194","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508705","12.3238","0.0009","13.3375","0.0007","14.9419","0.0011","90","","113.697","0.001","90","","2248.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","TIPS-Bpin-BDT","TIPS-Bpin-BDT","","- C40 H68 B2 O4 S2 Si2 -","- C40 H68 B2 O4 S2 Si2 -","- C80 H136 B4 O8 S4 Si4 -","2","1","","Nakano, Masahiro; Shinamura, Shoji; Sugimoto, Ryusuke; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Borylation on benzo[1,2-b:4,5-b']- and naphtho[1,2-b:5,6-b']dichalcogenophenes: different chalcogene atom effects on borylation reaction depending on fused ring structure.","Organic letters","2012","14","21","5448","5451","10.1021/ol302521d","","","0.7107","MoKα","","0.0679","0.0617","","","0.1633","0.1703","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508706","12.433","0.008","13.331","0.008","14.725","0.01","90","","113.371","0.002","90","","2240","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TIPS-Bpin-BDS","TIPS-Bpin-BDS","","- C40 H68 B2 O4 Se2 Si2 -","- C40 H68 B2 O4 Se2 Si2 -","- C80 H136 B4 O8 Se4 Si4 -","2","0.5","","Nakano, Masahiro; Shinamura, Shoji; Sugimoto, Ryusuke; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Borylation on benzo[1,2-b:4,5-b']- and naphtho[1,2-b:5,6-b']dichalcogenophenes: different chalcogene atom effects on borylation reaction depending on fused ring structure.","Organic letters","2012","14","21","5448","5451","10.1021/ol302521d","","","0.7107","MoKα","","0.0724","0.0644","","","0.1864","0.1974","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508707","11.5309","0.0016","8.303","0.0012","27.839","0.004","90","","98.03","0.002","90","","2639.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O4 S -","- C28 H30 N2 O4 S -","- C112 H120 N8 O16 S4 -","4","1","","Li, Guifei; Ding, Zhengwei; Xu, Bin","Rhodium-catalyzed oxidative annulation of sulfonylhydrazones with alkenes.","Organic letters","2012","14","20","5338","5341","10.1021/ol302522n","","","0.71073","MoKα","","0.1214","0.0812","","","0.224","0.2512","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508708","8.6017","0.001","8.8242","0.0011","21.789","0.003","90","","90","","90","","1653.9","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.1206","0.0748","","","0.1716","0.1999","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508709","8.548","0.0004","8.7031","0.0005","21.6417","0.0011","90","","90","","90","","1610.01","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.051","0.0471","","","0.1016","0.1036","","","","","","1.131","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508710","8.5503","0.0002","8.7108","0.0002","21.6531","0.0005","90","","90","","90","","1612.72","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.0542","0.0385","","","0.0909","0.0979","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508711","8.6054","0.0014","8.8177","0.0014","21.769","0.003","90","","90","","90","","1651.8","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.0825","0.0622","","","0.1663","0.1854","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508712","10.7107","0.0012","8.0875","0.0009","19.702","0.002","90","","101.638","0.002","90","","1671.6","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.0824","0.0621","","","0.1616","0.1796","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508713","10.4767","0.0016","14.011","0.002","20.104","0.004","103.149","0.003","94.146","0.003","109.798","0.002","2667.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H52 Cl2 N4 O8 -","- C61 H52 Cl2 N4 O8 -","- C122 H104 Cl4 N8 O16 -","2","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.1186","0.0602","","","0.1663","0.2051","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508714","10.4418","0.0018","14.56","0.003","20.248","0.005","103.886","0.003","92.639","0.003","110.608","0.002","2768.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H50 Cl4 N4 O8 -","- C61 H50 Cl4 N4 O8 -","- C122 H100 Cl8 N8 O16 -","2","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.1415","0.0809","","","0.24","0.2911","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508715","7.611","0.003","9.414","0.003","30.428","0.01","90","","94.599","0.005","90","","2173.1","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl N3 O3 -","- C24 H22 Cl N3 O3 -","- C96 H88 Cl4 N12 O12 -","4","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.1206","0.0967","","","0.3064","0.3196","","","","","","1.142","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508716","10.5885","0.0016","12.3008","0.0019","13.451","0.002","112.414","0.002","100.134","0.002","98.715","0.002","1547.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O6 -","- C35 H29 Cl N2 O6 -","- C70 H58 Cl2 N4 O12 -","2","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.0779","0.0455","","","0.1097","0.1347","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508717","12.882","0.009","13.095","0.009","18.933","0.013","90","","99.562","0.013","90","","3149","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cl N2 O6 -","- C36 H31 Cl N2 O6 -","- C144 H124 Cl4 N8 O24 -","4","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.0953","0.0569","","","0.1212","0.1425","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508718","6.9403","0.0002","14.831","0.0003","24.1141","0.0006","90","","90","","90","","2482.1","0.11","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N4 O9 -","- C23 H30 N4 O9 -","- C92 H120 N16 O36 -","4","1","","Asai, Teigo; Morita, Shuntaro; Shirata, Naoki; Taniguchi, Tohru; Monde, Kenji; Sakurai, Hiroaki; Ozeki, Tomoji; Oshima, Yoshiteru","Structural diversity of new C13-polyketides produced by Chaetomium mollipilium cultivated in the presence of a NAD(+)-dependent histone deacetylase inhibitor.","Organic letters","2012","14","21","5456","5459","10.1021/ol302539s","","","1.54186","CuKα","","0.0518","0.0502","","","0.1521","0.1541","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508719","10.3589","0.0002","30.3196","0.0005","11.4539","0.0002","90","","115.063","0.0007","90","","3258.69","0.1","150","","150","","","","","","","","syn","5","P 1 21/c 1","-P 2ybc","14","","(2S,3S,4S)-tert-butyl 3-allyl-2-(((tert-butyldiphenylsilyl)oxy)methyl)-3-hydroxy-2-((methoxymethoxy)methyl)-4-methylpyrrolidine-1-carboxylate","","- C33 H49 N O6 Si -","- C33 H49 N O6 Si -","- C132 H196 N4 O24 Si4 -","4","1","","Donohoe, Timothy J.; O'Riordan, Timothy J C; Peifer, Manuel; Jones, Christopher R.; Miles, Timothy J.","Asymmetric synthesis of the fully elaborated pyrrolidinone core of oxazolomycin A.","Organic letters","2012","14","21","5460","5463","10.1021/ol302541j","","","0.71073","MoKα","","0.0983","0.0509","","0.1214","0.1035","0.1214","","","","","","0.911","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508720","9.5047","0.0001","13.4605","0.0002","24.465","0.0004","90","","90","","90","","3130","0.08","150","","150","","","","","","","","syn","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 N O8 Si -","- C31 H43 N O8 Si -","- C124 H172 N4 O32 Si4 -","4","1","","Donohoe, Timothy J.; O'Riordan, Timothy J C; Peifer, Manuel; Jones, Christopher R.; Miles, Timothy J.","Asymmetric synthesis of the fully elaborated pyrrolidinone core of oxazolomycin A.","Organic letters","2012","14","21","5460","5463","10.1021/ol302541j","","","0.71073","MoKα","","0.0557","0.0516","","0.1453","0.1425","0.1453","","","","","","1.0441","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508721","10.2052","0.0006","18.7686","0.0009","16.2613","0.0007","90","","101.595","0.002","90","","3051.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 O6 S2 -","- C30 H38 N2 O6 S2 -","- C120 H152 N8 O24 S8 -","4","1","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.1252","0.0561","","","0.135","0.1701","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508722","10.086","0.005","13.642","0.005","12.796","0.005","90","0.005","108.816","0.005","90","0.005","1666.6","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.0541","0.0375","","","0.098","0.1091","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508723","11.4677","0.0004","14.2273","0.0004","13.5877","0.0004","90","","92.996","0.001","90","","2213.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N O5 S -","- C23 H31 N O5 S -","- C92 H124 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.0894","0.0501","","","0.134","0.1582","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508724","9.4749","0.0003","20.5466","0.0005","12.8261","0.0004","90","","104.295","0.001","90","","2419.63","0.12","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C104 H124 N4 O20 S4 -","4","2","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.056","0.0433","","","0.1233","0.1354","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508725","7.2313","0.0012","21.911","0.004","14.668","0.002","90","","94.76","0.003","90","","2316.1","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H66 O10 Si2 -","- C44 H66 O10 Si2 -","- C88 H132 O20 Si4 -","2","1","","Feldman, Ken S.; Selfridge, Brandon R.","Enantioselective synthesis of the ent-lomaiviticin A bicyclic core.","Organic letters","2012","14","21","5484","5487","10.1021/ol302567f","","","0.71073","MoKα","","0.1048","0.0739","","","0.1864","0.2081","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508726","8.966","0.002","8.966","0.002","53.26","0.02","90","","90","","90","","4282","2","298","2","298","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C48 H54 O6 -","- C48 H54 O6 -","- C192 H216 O24 -","4","0.5","","Feldman, Ken S.; Selfridge, Brandon R.","Enantioselective synthesis of the ent-lomaiviticin A bicyclic core.","Organic letters","2012","14","21","5484","5487","10.1021/ol302567f","","","0.71073","MoKα","","0.2779","0.14","","","0.3556","0.4275","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508727","12.7844","0.0006","12.8542","0.0005","11.9648","0.0006","90","","92.052","0.005","90","","1964.95","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O5 -","- C25 H16 N2 O5 -","- C100 H64 N8 O20 -","4","1","","Samanta, Rajarshi; Bauer, Jonathan O.; Strohmann, Carsten; Antonchick, Andrey P.","Organocatalytic, oxidative, intermolecular amination and hydrazination of simple arenes at ambient temperature.","Organic letters","2012","14","21","5518","5521","10.1021/ol302607y","","","0.71073","MoKα","","0.0645","0.0354","","","0.0631","0.0657","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508728","10.7653","0.0004","11.5943","0.0004","29.2492","0.001","90","","90","","90","","3650.8","0.2","103","2","103","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","2-Pyrazol-1-yl-1H-indole","","- C11 H9 N3 -","- C11 H9 N3 -","- C176 H144 N48 -","16","2","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.0748","0.0603","","","0.1605","0.1725","","","","","","1.108","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508729","6.8519","0.0005","8.8049","0.0006","16.1947","0.0012","93.122","0.004","102.154","0.004","93.106","0.004","951.55","0.12","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","2","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.1648","0.0617","","","0.1441","0.2075","","","","","","0.855","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508730","6.9749","0.0003","8.2033","0.0004","8.5227","0.0004","88.458","0.002","73.953","0.002","87.824","0.002","468.24","0.04","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","1-Methyl-2-[1,2,4]triazol-1-yl-1H-indole","","- C11 H10 N4 -","- C11 H10 N4 -","- C22 H20 N8 -","2","1","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.05","0.0439","","","0.1145","0.1215","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508731","7.4156","0.0005","8.8137","0.0006","13.4503","0.0009","90","","90","","90","","879.1","0.1","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-[1,2,3]Triazol-1-yl-1H-indole","","- C10 H8 N4 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.0399","0.0368","","","0.0984","0.1007","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508732","14.0263","0.001","10.0105","0.0008","15.8497","0.0011","90","","107.79","0.002","90","","2119","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O2 -","- C25 H28 N2 O2 -","- C100 H112 N8 O8 -","4","1","","Zhu, Yan-ping; Jia, Feng-cheng; Liu, Mei-cai; Wu, Liu-ming; Cai, Qun; Gao, Yang; Wu, An-xin","I2-CF3SO3H synergistic promoted sp3 C-H bond diarylation of aromatic ketones.","Organic letters","2012","14","20","5378","5381","10.1021/ol302613q","","","0.71073","MoKα","","0.1358","0.074","","","0.1408","0.1596","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508733","15.6734","0.0004","6.13","0.0001","22.7367","0.0005","90","","97.0025","0.001","90","","2168.2","0.08","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C104 H100 N12 O12 -","4","2","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0521","0.0321","","0.0682","0.0639","0.0682","","","","","","0.8192","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508734","37.1436","0.0006","10.5638","0.0002","24.1187","0.0003","90","","123.858","0.0008","90","","7858.8","0.2","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C384 H384 N32 O32 -","16","2","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.1116","0.0592","","0.1683","0.1343","0.1683","","","","","","0.9898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508735","9.4094","0.0002","7.577","0.0001","16.8099","0.0004","90","","106.036","0.001","90","","1151.83","0.04","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","0.5","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.042","0.0369","","0.0995","0.0955","0.0995","","","","","","0.9953","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508736","15.3122","0.0004","15.6051","0.0004","6.1644","0.0001","90","","90","","90","","1472.97","0.06","200","","200","","","","","","","","local","4","P c a 21","P 2c -2ac","29","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0429","0.0305","","0.0662","0.0635","0.0662","","","","","","0.8013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508737","9.9709","0.0006","10.7612","0.0009","13.1112","0.0011","105.781","0.003","100.075","0.004","115.216","0.004","1154.44","0.17","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.1054","0.0548","","0.1429","0.1199","0.1429","","","","","","0.9562","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508738","6.1903","0.0002","11.0001","0.0005","16.5975","0.0007","71.3193","0.0019","81.706","0.003","75.698","0.003","1034.85","0.07","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C44 H48 N4 O16 -","2","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0871","0.0545","","0.1304","0.1163","0.1304","","","","","","1.0162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508739","7.7343","0.0002","8.2695","0.0002","10.429","0.0003","90","","90","","90","","667.03","0.03","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0352","0.0323","","0.0809","0.0796","0.0809","","","","","","1.0848","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508740","5.7141","0.001","13.121","0.002","18.59","0.003","90","","90","","90","","1393.8","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Jacobsen, Christian Borch; Albrecht, Łukasz; Udmark, Jonas; Jørgensen, Karl Anker","Enantioselective formation of substituted 3,4-dihydrocoumarins by a multicatalytic one-pot process.","Organic letters","2012","14","21","5526","5529","10.1021/ol302627u","","","0.71073","MoKα","","0.0172","0.0165","","","0.0401","0.0403","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508741","7.8632","0.0007","8.0168","0.0007","9.6863","0.0008","84.791","0.004","68.814","0.004","76.694","0.004","554.03","0.08","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O -","- C16 H12 O -","- C32 H24 O2 -","2","1","","Tsui, Gavin Chit; Tsoung, Jennifer; Dougan, Patrick; Lautens, Mark","One-pot synthesis of chiral dihydrobenzofuran framework via Rh/Pd catalysis.","Organic letters","2012","14","21","5542","5545","10.1021/ol302646a","","","1.54178","CuKα","","0.0361","0.035","","","0.0914","0.0924","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508742","23.468","0.002","11.7213","0.0013","16.4807","0.0018","90","","114.358","0.002","90","","4129.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 F4 N O4 -","- C24 H17 F4 N O4 -","- C192 H136 F32 N8 O32 -","8","1","","Xu, Tao; Liu, Guosheng","Ag(I)-catalyzed aminofluorination of alkynes: efficient synthesis of 4-fluoroisoquinolines and 4-fluoropyrrolo[α]isoquinolines.","Organic letters","2012","14","21","5416","5419","10.1021/ol3026507","","","0.71073","MoKα","","0.0708","0.0452","","","0.1095","0.1227","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508743","6.2528","0.0006","9.4257","0.0009","13.6643","0.0014","104.187","0.001","101.932","0.001","102.161","0.001","734.34","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","12099a","","","- C14 H23 N O5 -","- C14 H23 N O5 -","- C28 H46 N2 O10 -","2","1","","Deng, Jun; Hsung, Richard P.; Ko, Changhong","Gassman's cationic [2 + 2] cycloadditions using temporary tethers.","Organic letters","2012","14","21","5562","5565","10.1021/ol3026796","","","0.71073","MoKα","","0.0557","0.0422","","","0.1038","0.1126","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508744","8.0126","0.001","10.302","0.0013","21.98","0.003","90","","93.013","0.001","90","","1811.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","12168a","","","- C17 H28 N2 O6 -","- C17 H28 N2 O6 -","- C68 H112 N8 O24 -","4","1","","Deng, Jun; Hsung, Richard P.; Ko, Changhong","Gassman's cationic [2 + 2] cycloadditions using temporary tethers.","Organic letters","2012","14","21","5562","5565","10.1021/ol3026796","","","0.71073","MoKα","","0.074","0.045","","","0.1053","0.1213","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508745","10.5663","0.0007","10.9334","0.0007","11.1163","0.0008","90","","116.977","0.0007","90","","1144.48","0.13","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Lam, Jonathan K.; Schmidt, Yvonne; Vanderwal, Christopher D.","Complex polycyclic scaffolds by metathesis rearrangement of Himbert arene/allene cycloadducts.","Organic letters","2012","14","21","5566","5569","10.1021/ol302680m","","","0.71073","MoKα","","0.0398","0.0364","","","0.094","0.0969","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508746","8.1975","0.0006","34.482","0.003","8.9646","0.0007","90","","106.35","0.001","90","","2431.5","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 F3 N2 O6 -","- C27 H25 F3 N2 O6 -","- C108 H100 F12 N8 O24 -","4","1","","Liu, Xiaoxi; McCormack, Michael P.; Waters, Stephen P.","An aza-Prins cyclization approach to functionalized indolizidines from 2-allylpyrrolidines.","Organic letters","2012","14","21","5574","5577","10.1021/ol302693u","","","0.71073","MoKα","","0.0907","0.0555","","","0.1215","0.1383","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508747","9.4671","0.0015","11.5833","0.0019","13.909","0.002","104.931","0.002","103.435","0.002","103.977","0.002","1357.7","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H28 N2 O -","- C37 H28 N2 O -","- C74 H56 N4 O2 -","2","1","","Wang, Lu; Xie, Xin; Liu, Yuanhong","Facile Synthesis of Fully Substituted Dihydro-β-carbolines via Brønsted Acid Promoted Cascade Reactions of α-Indolyl Propargylic Alcohols with Nitrones.","Organic letters","2012","14","23","5848","5851","10.1021/ol302695p","","","0.71073","MoKα","","0.077","0.065","","","0.2116","0.2241","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508748","10.6049","0.0012","12.7109","0.0014","13.5229","0.0017","77.588","0.002","68.722","0.002","76.712","0.002","1635.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H34 N2 O3 -","- C41 H34 N2 O3 -","- C82 H68 N4 O6 -","2","1","","Wang, Lu; Xie, Xin; Liu, Yuanhong","Facile Synthesis of Fully Substituted Dihydro-β-carbolines via Brønsted Acid Promoted Cascade Reactions of α-Indolyl Propargylic Alcohols with Nitrones.","Organic letters","2012","14","23","5848","5851","10.1021/ol302695p","","","0.71073","MoKα","","0.0865","0.0534","","","0.1339","0.1544","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508749","11.0527","0.0009","18.2393","0.0014","11.3777","0.0009","90","","92.426","0.001","90","","2291.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Wang, Lu; Xie, Xin; Liu, Yuanhong","Facile Synthesis of Fully Substituted Dihydro-β-carbolines via Brønsted Acid Promoted Cascade Reactions of α-Indolyl Propargylic Alcohols with Nitrones.","Organic letters","2012","14","23","5848","5851","10.1021/ol302695p","","","0.71073","MoKα","","0.0485","0.0387","","","0.1021","0.109","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508750","10.868","0.002","11.564","0.002","11.8448","0.0019","67.173","0.012","68.081","0.012","79.23","0.014","1271.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O6 S2 -","- C26 H28 N2 O6 S2 -","- C52 H56 N4 O12 S4 -","2","1","","Zhou, Rong; Wang, Jianfang; Duan, Chong; He, Zhengjie","Phosphine-Triggered Tandem Annulation between Morita-Baylis-Hillman Carbonates and Dinucleophiles: Facile Syntheses of Oxazepanes, Thiazepanes, and Diazepanes.","Organic letters","2012","14","24","6134","6137","10.1021/ol302696e","","","0.71073","MoKα","","0.0844","0.0479","","","0.0871","0.0965","","","","","","1.072","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508751","25.058","0.009","12.865","0.004","11.153","0.004","90","","109.43","0.04","90","","3391","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N2 O8 S2 -","- C32 H44 N2 O8 S2 -","- C128 H176 N8 O32 S8 -","4","0.5","","Zhou, Rong; Wang, Jianfang; Duan, Chong; He, Zhengjie","Phosphine-Triggered Tandem Annulation between Morita-Baylis-Hillman Carbonates and Dinucleophiles: Facile Syntheses of Oxazepanes, Thiazepanes, and Diazepanes.","Organic letters","2012","14","24","6134","6137","10.1021/ol302696e","","","0.71073","MoKα","","0.0743","0.0569","","","0.1176","0.1259","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508752","6.3189","0.0009","13.2585","0.0019","17.498","0.003","90","","90","","90","","1466","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","","Wang, Xiao-Jing; Liu, Yun-Bao; Li, Li; Yu, Shi-Shan; Lv, Hai-Ning; Ma, Shuang-Gang; Bao, Xiu-Qi; Zhang, Dan; Qu, Jing; Li, Yong","Lycojaponicumins D and E: two new alkaloids from Lycopodium japonicum.","Organic letters","2012","14","22","5688","5691","10.1021/ol302701y","","","1.54186","CuKα","","0.0354","0.0344","","","0.0788","0.0795","","","","","","1.107","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508753","20.4027","0.0019","7.1468","0.0007","22.129","0.002","90","","90","","90","","3226.7","0.5","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C144 H168 N8 O24 S8 -","8","1","","Yuan, Wei; Dong, Xiang; Shi, Min; McDowell, Patrick; Li, Guigen","Rh(I)-catalyzed Pauson-Khand-type cycloaddition reaction of ene-vinylidenecyclopropanes with carbon monoxide (CO).","Organic letters","2012","14","21","5582","5585","10.1021/ol302705z","","","0.71073","MoKα","","0.0502","0.0403","","","0.1066","0.1141","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508754","9.784","","13.467","","16.619","","90","","90","","90","","2189.74","","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cl N O3 -","- C27 H24 Cl N O3 -","- C108 H96 Cl4 N4 O12 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0525","0.0416","","","0.1008","0.107","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508755","26.891","0.004","6.5139","0.0009","13.524","0.002","90","","117.976","0.007","90","","2092.1","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H22 Cl N O3 -","- C26 H22.02 Cl N O3.01 -","- C104 H88.08 Cl4 N4 O12.04 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0635","0.0441","","","0.1027","0.1092","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508756","6.952","0.0008","12.8684","0.0013","23.405","0.003","90","","90","","90","","2093.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl N O3 -","- C26 H20 Cl N O3 -","- C104 H80 Cl4 N4 O12 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0442","0.0385","","","0.0976","0.1016","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508757","10.6855","0.0016","9.3798","0.0015","18.076","0.003","90","","99.839","0.005","90","","1785.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 N3 O5 Si -","- C39 H43 N3 O5 Si -","- C78 H86 N6 O10 Si2 -","2","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0737","0.0539","","","0.1244","0.1394","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508758","9.3437","0.0017","10.538","0.002","11.5632","0.0015","105.416","0.015","94.821","0.013","114.063","0.019","978","0.4","100.05","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N4 S -","- C26 H17 N4 S -","- C52 H34 N8 S2 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Drouza, Chryssoula; Manoli, Maria; Koutentis, Panayiotis A.","From Blatter radical to 7-substituted 1,3-diphenyl-1,4-dihydrothiazolo[5',4':4,5]benzo[1,2-e][1,2,4]triazin-4-yls: toward multifunctional materials.","Organic letters","2012","14","21","5586","5589","10.1021/ol302714j","","","1.54184","CuKα","","0.0708","0.0558","","","0.1496","0.1723","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508759","20.5752","0.001","8.5637","0.0004","20.8927","0.001","90","","90.195","0.002","90","","3681.3","0.3","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","(-)-4-Butyl-6-(naphthalen-2-yloxy)-2-(toluene-4-sulfonyl)-2,3,5,7a- tetrahydro-1H-isoindole-5-carboxylic acid naphthalen-2-yl ester","","- C43 H44 N O5 S -","- C43 H44 N O5 S -","- C172 H176 N4 O20 S4 -","4","1","","Miyauchi, Yuta; Noguchi, Keiichi; Tanaka, Ken","Rhodium-catalyzed one-pot intermolecular [2 + 2 + 2] trimerization/asymmetric intramolecular [4 + 2] cycloaddition of two aryl ethynyl ethers and 5-alkynals.","Organic letters","2012","14","23","5856","5859","10.1021/ol3027158","","","1.54187","CuKα","","0.1165","0.0739","","","0.1901","0.2468","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508760","12.9308","0.0013","9.835","0.001","13.9957","0.0014","90","","97.501","0.001","90","","1764.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","12122a","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","1","","Ma, Zhi-Xiong; He, Shuzhong; Song, Wangze; Hsung, Richard P.","α-Aryl-substituted allenamides in an imino-Nazarov cyclization cascade catalyzed by Au(I).","Organic letters","2012","14","22","5736","5739","10.1021/ol302743k","","","0.71073","MoKα","","0.0449","0.0374","","","0.0985","0.1047","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508761","7.5367","0.0008","11.351","0.0012","11.879","0.0012","70.952","0.001","85.663","0.001","81.889","0.001","950.51","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","12123a","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Ma, Zhi-Xiong; He, Shuzhong; Song, Wangze; Hsung, Richard P.","α-Aryl-substituted allenamides in an imino-Nazarov cyclization cascade catalyzed by Au(I).","Organic letters","2012","14","22","5736","5739","10.1021/ol302743k","","","0.71073","MoKα","","0.0525","0.0416","","","0.1068","0.115","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508762","8.2477","0.0009","15.824","0.002","16.2391","0.0017","90","","94.938","0.005","90","","2111.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C96 H96 N8 O24 -","4","0.5","","Ghosh, Santanu; De, Subhadip; Kakde, Badrinath N.; Bhunia, Subhajit; Adhikary, Amit; Bisai, Alakesh","Intramolecular Dehydrogenative Coupling of sp(2) C-H and sp(3) C-H Bonds: An Expeditious Route to 2-Oxindoles.","Organic letters","2012","14","23","5864","5867","10.1021/ol302767w","","","0.71073","MoKα","","0.0629","0.0525","","","0.1933","0.2203","","","","","","0.938","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508763","10.215","0.0002","13.971","0.0003","10.5413","0.0002","90","","94.929","0.001","90","","1498.83","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 Cl N3 O5 S -","- C11 H20 Cl N3 O5 S -","- C44 H80 Cl4 N12 O20 S4 -","4","1","","Brant, Michael G.; Wulff, Jeremy E.","A rigid bicyclic platform for the generation of conformationally locked neuraminidase inhibitors.","Organic letters","2012","14","23","5876","5879","10.1021/ol3027939","","","1.54178","CuKα","","0.0458","0.0392","","","0.1021","0.1073","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508764","25.936","0.01","11.367","0.004","12.416","0.005","90","","112.285","0.005","90","","3387","2","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H45 N O7 Si -","- C34 H45 N O7 Si -","- C136 H180 N4 O28 Si4 -","4","1","","Harada, Masaya; Asaba, Ken Nunettsu; Iwai, Masumi; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric total synthesis of an iboga-type indole alkaloid, voacangalactone, newly isolated from Voacanga africana.","Organic letters","2012","14","22","5800","5803","10.1021/ol3027945","","","0.71073","MoKα","","0.3213","0.0879","","","0.1731","0.301","","","","","","0.904","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508765","9.631","0.007","10.862","0.007","18.269","0.012","94.065","0.014","97.194","0.01","90.221","0.012","1891","2","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 O3 S -","- C23 H20 O3 S -","- C92 H80 O12 S4 -","4","2","","Nishi, Mitsumi; Kuninobu, Yoichiro; Takai, Kazuhiko","Rhenium-Catalyzed Regio- and Stereoselective Synthesis of γ-Thio-α,β-unsaturated Ketones via Insertion of Terminal Alkynes into the C-S Bond.","Organic letters","2012","14","23","6116","6118","10.1021/ol302810u","","","0.71075","MoKα","","","0.1153","","","","0.3099","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508766","10.866","0.01","17.721","0.014","11.11","0.01","90","","119.15","0.012","90","","1868","3","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O S -","- C23 H20 O S -","- C92 H80 O4 S4 -","4","1","","Nishi, Mitsumi; Kuninobu, Yoichiro; Takai, Kazuhiko","Rhenium-Catalyzed Regio- and Stereoselective Synthesis of γ-Thio-α,β-unsaturated Ketones via Insertion of Terminal Alkynes into the C-S Bond.","Organic letters","2012","14","23","6116","6118","10.1021/ol302810u","","","0.71075","MoKα","","","0.0905","","","","0.2644","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508767","12.256","0.005","24.002","0.01","13.896","0.006","90","","92.602","0.008","90","","4084","3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 B Br N O5 -","- C18 H23 B Br N O5 -","- C144 H184 B8 Br8 N8 O40 -","8","4","","Zhao, Lei; Ma, Yudao; Duan, Wenzeng; He, Fuyan; Chen, Jianqiang; Song, Chun","Asymmetric β-boration of α,β-unsaturated N-acyloxazolidinones by [2.2]paracyclophane-based bifunctional catalyst.","Organic letters","2012","14","22","5780","5783","10.1021/ol302839d","","","0.71073","MoKα","","0.0939","0.0453","","","0.0868","0.1015","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508768","13.3142","0.0002","16.8691","0.0003","10.6959","0.0002","90","","104.18","0.001","90","","2329.09","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 I N O5 -","- C21 H36 I N O5 -","- C84 H144 I4 N4 O20 -","4","1","","Krabbe, Scott W.; Do, Dung T.; Johnson, Jeffrey S.","Cu(II)-Catalyzed Aerobic Hydroperoxidation of Meldrum's Acid Derivatives and Application in Intramolecular Oxidation: A Conceptual Blueprint for O(2)/H(2) Dihydroxylation.","Organic letters","2012","14","23","5932","5935","10.1021/ol302848m","","","1.54179","CuKα","","0.0596","0.0433","","","0.102","0.111","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508769","10.7551","0.0008","10.8927","0.0006","17.419","0.0001","90","","90","","90","","2040.67","0.19","155","2","155","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O -","- C29 H23 N O -","- C116 H92 N4 O4 -","4","1","","Xiao, You-Cai; Zhou, Qing-Qing; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric Diels-Alder Reaction of 2-Methyl-3-indolylmethanols via in Situ Generation of o-Quinodimethanes.","Organic letters","2012","14","23","5940","5943","10.1021/ol302853m","","","1.54184","CuKα","","0.0266","0.0265","","","0.0648","0.0649","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508770","14.5477","0.0006","9.8838","0.0003","14.5179","0.0007","90","","107.769","0.003","90","","1987.89","0.14","223","2","223","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H22 F6 N2 -","- C22 H22 F6 N2 -","- C88 H88 F24 N8 -","4","1","","Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich","Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination.","Organic letters","2012","14","23","5944","5947","10.1021/ol302855z","","","1.54178","CuKα","","0.0654","0.057","","","0.1469","0.156","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508771","15.0501","0.0006","30.2465","0.0008","8.6794","0.0002","90","","103.939","0.002","90","","3834.6","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Br2 N2 -","- C20 H22 Br2 N2 -","- C160 H176 Br16 N16 -","8","2","","Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich","Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination.","Organic letters","2012","14","23","5944","5947","10.1021/ol302855z","","","1.54178","CuKα","","0.0656","0.0465","","","0.1083","0.1189","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508772","17.6875","0.0004","17.6875","0.0004","26.5075","0.0007","90","","90","","90","","8292.8","0.3","223","2","223","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C320 H352 N64 O64 -","16","0.5","","Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich","Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination.","Organic letters","2012","14","23","5944","5947","10.1021/ol302855z","","","0.71073","MoKα","","0.0988","0.0693","","","0.1905","0.2111","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508773","5.78493","0.00007","12.86729","0.00013","21.7765","0.0002","90","","90","","90","","1620.96","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph","A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids.","Organic letters","2012","14","23","5972","5975","10.1021/ol302871u","","","1.54184","CuKα","","0.0353","0.0351","","","0.094","0.0942","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508774","5.9928","0.0001","12.5308","0.0003","22.425","0.0004","90","","90","","90","","1684","0.06","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph","A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids.","Organic letters","2012","14","23","5972","5975","10.1021/ol302871u","","","1.54184","CuKα","","0.0285","0.0276","","","0.0728","0.0734","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508775","9.6599","0.0004","10.661","0.0004","21.2315","0.0009","90","","90","","90","","2186.51","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Albertshofer, Klaus; Anderson, Kimberly E.; Barbas, 3rd, Carlos F","Assembly of Spirooxindole Derivatives via Organocatalytic Iminium-Enamine Cascade Reactions.","Organic letters","2012","14","23","5968","5971","10.1021/ol302876c","","","1.54178","CuKα","","0.0249","0.0248","","","0.069","0.0692","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508776","8.303","0.004","11.685","0.005","11.372","0.005","90","","101.556","0.004","90","","1081","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Gu, Peiming; Kang, Xiao-Yan; Sun, Jian; Wang, Bao-Juan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui","Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: rapid access to fused polycyclic nitrogen-containing heterocycles via a multistep one-pot transformation.","Organic letters","2012","14","22","5796","5799","10.1021/ol302890a","","","0.71073","MoKα","","0.0977","0.0629","","","0.185","0.2215","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508777","6.965","0.01","9.91","0.015","17.31","0.03","90","","90.631","0.017","90","","1195","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Gu, Peiming; Kang, Xiao-Yan; Sun, Jian; Wang, Bao-Juan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui","Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: rapid access to fused polycyclic nitrogen-containing heterocycles via a multistep one-pot transformation.","Organic letters","2012","14","22","5796","5799","10.1021/ol302890a","","","0.71073","MoKα","","0.2089","0.1189","","","0.1387","0.1601","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508778","17.129","0.0012","10.1809","0.0006","19.7805","0.001","90","","104.155","0.003","90","","3344.8","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl N O Si -","- C17 H18 Cl N O Si -","- C136 H144 Cl8 N8 O8 Si8 -","8","2","","Wong, Ying-Chieh; Tseng, Chen-Tso; Kao, Tzu-Ting; Yeh, Yu-Cheng; Shia, Kak-Shan","Tandem Cyclization of α-Cyano α-Alkynyl Aryl Ketones Induced by tert-Butyl Hydroperoxide and Tetrabutylammonium Iodide.","Organic letters","2012","14","23","6024","6027","10.1021/ol3028972","","","0.71073","MoKα","","0.0928","0.0763","","","0.2132","0.2286","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508779","8.6754","0.0003","14.638","0.0005","21.7393","0.0008","90","","90","","90","","2760.68","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(iodo(naphthalen-2-yl)methylene)tetrahydros","","","- C15 H13 I Se -","- C15 H13 I Se -","- C120 H104 I8 Se8 -","8","2","","Gai, Rafaela M.; Schumacher, Ricardo F.; Back, Davi F.; Zeni, Gilson","Regioselective Formation of Tetrahydroselenophenes via 5-exo-dig-Cyclization of 1-Butylseleno-4-alkynes","Organic Letters","2012","14","23","6072","6075","10.1021/ol302919b","","","0.71073","MoKα","","0.046","0.0348","","","0.0809","0.0852","","","","","","1.049","","","","has coordinates","218597","2020-10-21","18:00:00",""
"1508780","7.1334","0.0008","11.0837","0.0014","12.6786","0.0013","65.718","0.004","84.358","0.003","78.742","0.004","895.98","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Br O4 -","- C20 H21 Br O4 -","- C40 H42 Br2 O8 -","2","1","","Miura, Takuya; Yadav, Navnath Dnyanoba; Iwasaki, Hiroki; Ozeki, Minoru; Kojima, Naoto; Yamashita, Masayuki","Novel Skeleton Transformation Reaction of α-Pyrone Derivatives to Spirobicyclo[3.1.0]hexane Derivatives Using Dimethylsulfoxonium Methylide.","Organic letters","2012","14","23","6048","6051","10.1021/ol302942m","","","0.71075","MoKα","","","0.0493","","","","0.1617","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508781","8.7606","0.0005","9.588","0.0005","18.8582","0.0009","90","","103.118","0.005","90","","1542.69","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N O5 -","- C29 H35 N O5 -","- C58 H70 N2 O10 -","2","1","","Xu, Guo-Bo; Li, Li-Mei; Yang, Tao; Zhang, Guo-Lin; Li, Guo-You","Chaetoconvosins A and B, Alkaloids with New Skeleton from Fungus Chaetomium convolutum.","Organic letters","2012","14","23","6052","6055","10.1021/ol302943v","","","0.7107","MoKα","","0.0867","0.0616","","","0.1421","0.1551","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508782","8.9461","0.0006","8.981","0.0006","20.001","0.0013","90","","90.115","0.005","90","","1606.98","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H19 N -","- C21 H19 N -","- C84 H76 N4 -","4","2","","Qiu, Youai; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Carbazoles via AuCl(3)-Catalyzed Cyclization of 1-(Indol-2-yl)-3-alkyn-1-ols.","Organic letters","2012","14","24","6198","6201","10.1021/ol3029498","","","0.71073","MoKα","","0.059","0.0395","","","0.0889","0.0972","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508783","8.366","0.003","8.94","0.003","9.697","0.003","74.904","0.004","80.91","0.004","71.519","0.004","661.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Br2 O2 -","- C14 H12 Br2 O2 -","- C28 H24 Br4 O4 -","2","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0695","0.0472","","","0.1331","0.1557","","","","","","1.107","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508784","31.646","0.003","6.9207","0.0007","19.584","0.002","90","","102.15","0.002","90","","4193.1","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Br2 O5 -","- C22 H20 Br2 O5 -","- C176 H160 Br16 O40 -","8","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.057","0.036","","","0.1068","0.1336","","","","","","1.153","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1508785","9.9684","0.0014","10.5486","0.0015","10.7325","0.0017","109.747","0.002","98.305","0.002","112.538","0.002","931.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H14 Br2 O -","- C23 H14 Br2 O -","- C46 H28 Br4 O2 -","2","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0651","0.0435","","","0.1389","0.1693","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508786","7.6981","0.001","10.9144","0.0014","19.206","0.002","90","","90","","90","","1613.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0388","0.0328","","","0.0884","0.0932","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508787","8.7664","0.0012","8.7325","0.0011","22.469","0.003","90","","91.846","0.003","90","","1719.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.1415","0.0726","","","0.1233","0.1477","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508788","25.297","0.003","11.5939","0.0014","16.0976","0.0016","90","","93.893","0.002","90","","4710.4","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br2 Cl3 N O5 -","- C20 H16 Br2 Cl3 N O5 -","- C160 H128 Br16 Cl24 N8 O40 -","8","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.1255","0.0861","","","0.1941","0.2166","","","","","","1.121","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508789","8.0757","0.0012","6.151","0.0009","33.116","0.005","90","","92.33","0.003","90","","1643.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0842","0.0618","","","0.1545","0.1745","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508790","12.934","0.003","8.1387","0.0018","17.792","0.004","90","","94.906","0.003","90","","1866","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J.","Total syntheses of kealiinines a-C.","Organic letters","2012","14","24","6210","6213","10.1021/ol302958e","","","0.71073","MoKα","","0.0719","0.0503","","","0.1129","0.1195","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508791","8.336","0.002","13.411","0.004","15.707","0.004","90","","112.944","0.011","90","","1617","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J.","Total syntheses of kealiinines a-C.","Organic letters","2012","14","24","6210","6213","10.1021/ol302958e","","","0.71073","MoKα","","0.073","0.0496","","","0.1193","0.1326","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508792","10.371","0.002","11.751","0.003","20.714","0.004","95.766","0.003","90.808","0.003","104.77","0.003","2426.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F3 N3 O6 -","- C24 H24 F3 N3 O6 -","- C96 H96 F12 N12 O24 -","4","2","","Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J.","Total syntheses of kealiinines a-C.","Organic letters","2012","14","24","6210","6213","10.1021/ol302958e","","","0.71073","MoKα","","0.1358","0.064","","","0.1464","0.1658","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508793","8.182","0.0008","10.6061","0.0011","13.7522","0.0014","90","","90.956","0.002","90","","1193.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Huang, Liping; Liu, Yang; Xie, Fuchun; Hu, Youhong","An organic molecule modulated chemoselective cyclization of alkynyl nitriles tethered to 2-alkyl substituted chromones with multireactive sites.","Organic letters","2012","14","24","6122","6125","10.1021/ol302964x","","","0.71073","MoKα","","0.056","0.0415","","","0.0978","0.1029","","","","","","0.912","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508794","8.5967","0.0008","10.5041","0.0009","12.0568","0.0011","73.286","0.002","75.763","0.002","82.041","0.002","1008.02","0.16","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C50 H44 N4 O4 -","2","1","","Huang, Liping; Liu, Yang; Xie, Fuchun; Hu, Youhong","An organic molecule modulated chemoselective cyclization of alkynyl nitriles tethered to 2-alkyl substituted chromones with multireactive sites.","Organic letters","2012","14","24","6122","6125","10.1021/ol302964x","","","0.71073","MoKα","","0.0481","0.0403","","","0.1139","0.1223","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508795","28.121","0.007","9.598","0.002","23.181","0.006","90","","116.64","0.003","90","","5592","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl2 N2 O -","- C35 H28 Cl2 N2 O -","- C280 H224 Cl16 N16 O8 -","8","1","","Zhang, Li; Li, Zhiming; Fan, Renhua","1,2- and 1,4-Additions of 2-Alkynylcyclohexadienimines with Aromatic Amines To Access 4-Amino-N-arylindoles and -azepinoindoles.","Organic letters","2012","14","23","6076","6079","10.1021/ol3029675","","","0.71073","MoKα","","0.1199","0.1006","","","0.2845","0.3115","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508796","12.402","0.0005","8.869","0.0003","14.271","0.0005","90","","98.761","0.002","90","","1551.4","0.1","298","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Ito, Yoshikatsu; Horie, Souta; Shindo, Yasuhiro","Photodimerization ofN-[(E)-3,4-Methylenedioxycinnamoyl]dopamine in the Solid State","Organic Letters","2012","14","22","5812","","10.1021/ol3029719","","","1.54184","CuKα","","0.0567","0.0511","","","0.1445","0.1527","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508797","12.7827","0.0008","12.7827","0.0008","13.7419","0.0018","90","","90","","90","","2245.4","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C27 H22 Cl N O4 -","- C27 H22 Cl N O4 -","- C108 H88 Cl4 N4 O16 -","4","1","","He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang","A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization.","Organic letters","2012","14","24","6230","6233","10.1021/ol302987h","","","0.71073","MoKα","","0.0458","0.0343","","","0.0834","0.0908","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508798","8.9427","0.0014","24.682","0.004","9.8606","0.0016","90","","97.843","0.002","90","","2156.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C92 H96 Cl4 N4 O16 -","4","1","","He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang","A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization.","Organic letters","2012","14","24","6230","6233","10.1021/ol302987h","","","0.71073","MoKα","","0.0641","0.045","","","0.0965","0.1077","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508799","16.1421","0.0018","10.9109","0.0007","18.5908","0.0016","90","","113.887","0.012","90","","2993.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 N2 O2 S -","- C37 H32 N2 O2 S -","- C148 H128 N8 O8 S4 -","4","1","","Jiang, Zheng; Lu, Ping; Wang, Yanguang","Three-component reaction of propargyl amines, sulfonyl azides, and alkynes: one-pot synthesis of tetrasubstituted imidazoles.","Organic letters","2012","14","24","6266","6269","10.1021/ol303023y","","","0.71073","MoKα","","0.1472","0.0894","","","0.2242","0.2567","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508800","6.173","0.002","10.624","0.003","16.08","0.004","90","","90","","90","","1054.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 I O2 -","- C9 H15 I O2 -","- C36 H60 I4 O8 -","4","1","","Fang, Chao; Paull, Daniel H.; Hethcox, J. Caleb; Shugrue, Christopher R.; Martin, Stephen F.","Enantioselective iodolactonization of disubstituted olefinic acids using a bifunctional catalyst.","Organic letters","2012","14","24","6290","6293","10.1021/ol3030555","","","0.71075","MoKα","","0.0972","0.0832","","","0.1598","0.1678","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508801","8.3841","0.0012","12.058","0.002","10.8793","0.0015","90","","102.835","0.003","90","","1072.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","2","","Fang, Chao; Paull, Daniel H.; Hethcox, J. Caleb; Shugrue, Christopher R.; Martin, Stephen F.","Enantioselective iodolactonization of disubstituted olefinic acids using a bifunctional catalyst.","Organic letters","2012","14","24","6290","6293","10.1021/ol3030555","","","0.71075","MoKα","","0.0139","0.0137","","","0.0365","0.0366","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508802","9.394","0.0001","15.3467","0.0002","21.3416","0.0003","90","","106.931","0.001","90","","2943.39","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N7 O10 -","- C30 H33 N7 O10 -","- C120 H132 N28 O40 -","4","1","","Dąbrowa, Kajetan; Pawlak, Marcin; Duszewski, Piotr; Jurczak, Janusz","""Unclosed cryptands"": a point of departure for developing potent neutral anion receptors.","Organic letters","2012","14","24","6298","6301","10.1021/ol303065k","","","0.71073","MoKα","","0.0491","0.0385","","","0.1182","0.1297","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508803","24.763","0.002","10.2635","0.0007","25.5165","0.0017","90","","105.321","0.01","90","","6254.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 N7 O8 S -","- C30 H31 N7 O8 S -","- C240 H248 N56 O64 S8 -","8","1","","Dąbrowa, Kajetan; Pawlak, Marcin; Duszewski, Piotr; Jurczak, Janusz","""Unclosed cryptands"": a point of departure for developing potent neutral anion receptors.","Organic letters","2012","14","24","6298","6301","10.1021/ol303065k","","","0.71073","MoKα","","0.0544","0.0297","","","0.0636","0.0674","","","","","","0.873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508804","14.5855","0.0012","10.4295","0.0008","16.8508","0.0015","90","","101.441","0.002","90","","2512.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H47 Cl4 Ir N2 O9 P2 -","- C48 H37 Cl2 Ir N2 O8 P2 -","- C96 H74 Cl4 Ir2 N4 O16 P4 -","2","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0245","0.0236","","","0.0625","0.0629","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508805","11.849","0.002","17.116","0.003","22.974","0.004","90","","90","","90","","4659.3","1.4","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Cl4 Ir N2 O6 P2 -","- C48 H35 Ir N2 O10 P2 -","- C192 H140 Ir4 N8 O40 P8 -","4","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0261","0.0252","","","0.0656","0.0659","","","","","","1.118","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508806","12.0018","0.0009","17.5679","0.0013","21.824","0.002","90","","90","","90","","4601.5","0.6","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H42 Cl4 Ir N O9 P2 -","- C51 H42 Cl4 Ir N O9 P2 -","- C204 H168 Cl16 Ir4 N4 O36 P8 -","4","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0278","0.0269","","","0.0717","0.0719","","","","","","1.347","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508807","8.8732","0.0002","9.6183","0.0002","25.3162","0.0006","90","","90","","90","","2160.61","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C88 H108 N4 O28 -","4","1","","Li, Meiling; Datta, Swarup; Barber, David M.; Dixon, Darren J.","Dual amine and palladium catalysis in diastereo- and enantioselective allene carbocyclization reactions.","Organic letters","2012","14","24","6350","6353","10.1021/ol303128s","","","0.71073","MoKα","","0.068","0.0402","","0.1211","0.0924","0.1211","","","","","","0.9568","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508808","6.8088","0.0005","8.1381","0.0006","32.921","0.002","90","","90","","90","","1824.2","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H29 N O3 Si -","- C15 H28.5 N O3 Si -","- C60 H114 N4 O12 Si4 -","4","4","","Kashinath, K.; Vasudevan, N.; Reddy, D. Srinivasa","Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2'-amino-4'-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)","Organic Letters","2012","14","24","6222","6225","10.1021/ol303149k","","","0.71073","MoKα","","0.0819","0.0645","","","0.1756","0.1968","","","","","","1.081","","","","has coordinates","218681","2020-10-21","18:00:00",""
"1508809","6.713","0.004","20.949","0.011","13.223","0.007","90","","100.98","0.009","90","","1825.5","1.7","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Chun, Yu Sung; Kim, Ju Hyun; Choi, Suh Young; Ko, Young Ok; Lee, Sang-Gi","Cu(OAc)(2)-Catalyzed Tandem Blaise/Pinner-Type Reaction for One-Pot Synthesis of Pyrimidin-4-ones.","Organic letters","2012","14","24","6358","6361","10.1021/ol303153g","","","0.71073","MoKα","","0.0737","0.048","","","0.1021","0.1109","","","","","","0.906","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508810","8.936","0.004","7.703","0.003","23.997","0.009","90","","100.239","0.007","90","","1625.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Chun, Yu Sung; Kim, Ju Hyun; Choi, Suh Young; Ko, Young Ok; Lee, Sang-Gi","Cu(OAc)(2)-Catalyzed Tandem Blaise/Pinner-Type Reaction for One-Pot Synthesis of Pyrimidin-4-ones.","Organic letters","2012","14","24","6358","6361","10.1021/ol303153g","","","0.71073","MoKα","","0.0752","0.0557","","","0.1713","0.1765","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508811","7.267","0.0001","17.0474","0.0002","21.466","0.0003","90","","90","","90","","2659.28","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O5 -","- C30 H44 O5 -","- C120 H176 O20 -","4","1","","Liang, Cheng-Qin; Shi, Yi-Ming; Luo, Rong-Hua; Li, Xing-Yao; Gao, Zhong-Hua; Li, Xiao-Nian; Yang, Liu-Meng; Shang, Shan-Zhai; Li, Yan; Zheng, Yong-Tang; Zhang, Hong-Bin; Xiao, Wei-Lie; Sun, Han-Dong","Kadcoccitones A and B, Two New 6/6/5/5-Fused Tetracyclic Triterpenoids from Kadsura coccinea.","Organic letters","2012","14","24","6362","6365","10.1021/ol303168y","","","1.54178","CuKα","","0.0507","0.0506","","","0.1229","0.1231","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508812","5.2452","0.0009","27.662","0.005","9.8539","0.0017","90","","101.11","0.004","90","","1402.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 N O3 S -","- C13 H14 F3 N O3 S -","- C52 H56 F12 N4 O12 S4 -","4","1","","Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts.","Organic letters","2012","14","24","6370","6373","10.1021/ol303200n","","","1.54178","CuKα","","0.0309","0.0306","","","0.081","0.0812","","","","","","1.058","","","","has coordinates","193999","2020-10-21","18:00:00",""
"1508813","11.2358","0.0009","12.4002","0.001","11.5916","0.0009","90","","109.454","0.004","90","","1522.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H13 F3 N2 O5 S -","- C13 H13 F3 N2 O5 S -","- C52 H52 F12 N8 O20 S4 -","4","2","","Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts.","Organic letters","2012","14","24","6370","6373","10.1021/ol303200n","","","0.71073","MoKα","","0.0455","0.0401","","","0.1056","0.1095","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508814","5.0772","0.0002","14.0415","0.0005","20.6933","0.0006","90","","90","","90","","1475.26","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F3 N2 O5 S -","- C13 H13 F3 N2 O5 S -","- C52 H52 F12 N8 O20 S4 -","4","1","","Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts.","Organic letters","2012","14","24","6370","6373","10.1021/ol303200n","","","0.71073","MoKα","","0.0313","0.0273","","","0.0655","0.0676","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508815","5.3129","0.0002","9.094","0.0003","16.9173","0.0005","90","","90","","90","","817.37","0.05","130","0.2","130","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O4 Se -","- C6 H12 O4 Se -","- C24 H48 O16 Se4 -","4","1","","Storkey, Corin; Pattison, David I.; White, Jonathan M.; Schiesser, Carl H.; Davies, Michael J.","Preventing protein oxidation with sugars: scavenging of hypohalous acids by 5-selenopyranose and 4-selenofuranose derivatives.","Chemical research in toxicology","2012","25","11","2589","2599","10.1021/tx3003593","","","1.5418","CuKα","","0.0247","0.0247","","","0.065","0.065","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508970","12.17","","7.12","","9.47","","90","","118.37","","90","","722.026","","","","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Vaterite","- C1.5 Ca1.5 O4.5 -","- C1.5 Ca1.5 O4.5 -","- C12 Ca12 O36 -","8","1","","Mugnaioli, E.; Andrusenko, I.; Schüler, T.; Loges, N.; Panthöfer, M.; Dinnebier, R. E.; Tremel, W.; Kolb, U.","Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction","Angewandte Chemie International Edition","2012","51","28","7041","7045","10.1002/anie.201200845","","electron","0.0197","electrons","","0.387","0.3761","","","0.6852","0.7024","","","","","","3.715","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508971","12.17","","7.12","","25.32","","90","","99.22","","90","","2165.64","","295","2","295","2","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Vaterite","- C9 Ca9 O27 -","- C9 Ca9 O27 -","- C36 Ca36 O108 -","4","","","Mugnaioli, E.; Andrusenko, I.; Schüler, T.; Loges, N.; Panthöfer, M.; Dinnebier, R. E.; Tremel, W.; Kolb, U.","Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction","Angewandte Chemie International Edition","2012","51","28","7041","7045","10.1002/anie.201200845","","electron","0.0197","electrons","","0.4676","0.4558","","","0.8028","0.8102","","","","","","4.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509131","8.4923","0.0003","14.1476","0.0005","12.0094","0.0004","90","","97.677","0.002","90","","1429.94","0.09","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 F6 O P -","- C12 H21 F6 O P -","- C48 H84 F24 O4 P4 -","4","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0474","0.0424","","","0.1272","0.1311","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509132","8.8102","0.001","15.9354","0.0017","14.1905","0.0015","90","","92.221","0.002","90","","1990.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C72 H132 F24 O4 P4 -","4","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0507","0.0468","","","0.135","0.1374","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509133","10.2958","0.0019","10.2958","0.0019","32.34","0.006","90","","90","","120","","2968.9","1","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","1,4,7- tri-iso-propyloxatriquinanium Hexafluorophosphate","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C108 H198 F36 O6 P6 -","6","0.333333","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0194","0.0191","","","0.0564","0.0568","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509134","9.4366","0.0003","13.2814","0.0004","14.9075","0.0004","92.8458","0.0004","90.6035","0.0004","96.3976","0.0004","1854.21","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 B11 Cl11 O -","- C22 H40 B11 Cl11 O -","- C44 H80 B22 Cl22 O2 -","2","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0226","0.0199","","","0.0526","0.0542","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509247","28.8921","0.0017","9.781","0.0006","12.2102","0.0007","90","","105.762","0.003","90","","3320.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","18-crown-6-KCl-iodoperfluorobutane","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,1-Iodononafluorobutane","","- C20 H24 Cl F18 I2 K O6 -","- C20 H24 Cl F18 I2 K O6 -","- C80 H96 Cl4 F72 I8 K4 O24 -","4","0.5","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0265","0.0184","","","0.0395","0.0436","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509248","27.7056","0.0015","9.6249","0.0005","12.2412","0.0006","90","","101.759","0.002","90","","3195.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","18-crown-6-KI-iodoperfluoropropane","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumiodide, 1-Iodoheptafluoropropane","","- C18 H24 F14 I3 K O6 -","- C18 H24 F14 I3 K O6 -","- C72 H96 F56 I12 K4 O24 -","4","0.5","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0429","0.0299","","","0.0649","0.0736","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509249","9.782","0.0005","14.983","0.0006","12.1152","0.0006","90","","92.886","0.002","90","","1773.4","0.14","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","18-crown-6-KCl-dihydrate","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,dihydrate","","- C12 H28 Cl K O8 -","- C12 H26 Cl K O8 -","- C48 H104 Cl4 K4 O32 -","4","1","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0736","0.0514","","","0.1332","0.144","","","","","","1.065","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1509250","12.2871","0.0008","13.2034","0.0008","14.452","0.0009","90","","101.121","0.001","90","","2300.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl4 Cu2 N20 O16 -","- C34 H26 Cl4 Cu2 N20 O16 -","- C68 H52 Cl8 Cu4 N40 O32 -","2","0.5","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0539","0.0462","","","0.1331","0.1395","","","","","","1.058","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1509251","11.287","0.005","11.326","0.005","13.021","0.005","72.606","0.005","81.428","0.005","62.597","0.005","1410.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cd Cl2 N12 O9 -","- C21 H18 Cd Cl2 N12 O9 -","- C42 H36 Cd2 Cl4 N24 O18 -","2","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71069","MoKα","","0.0369","0.0353","","","0.1011","0.1028","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509252","12.2331","0.0007","18.6877","0.0011","14.1421","0.0008","90","","99.015","0.001","90","","3193.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 Cu N12 O11 -","- C22 H28 Cl2 Cu N12 O11 -","- C88 H112 Cl8 Cu4 N48 O44 -","4","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0499","0.0384","","","0.109","0.1153","","","","","","1.029","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1509253","15.3067","0.0011","17.7804","0.0012","22.6353","0.0016","90","","90","","90","","6160.4","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 Cd2 Cl4 N24 O18 -","- C44 H48 Cd2 Cl4 N24 O18 -","- C176 H192 Cd8 Cl16 N96 O72 -","4","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0468","0.0431","","","0.114","0.1171","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509254","10.749","0.005","12.668","0.005","13.623","0.005","68.88","0.005","69.73","0.005","66.269","0.005","1539.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl4 N34 O20 Zn2 -","- C38 H44 Cl4 N34 O20 Zn2 -","- C38 H44 Cl4 N34 O20 Zn2 -","1","0.5","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71069","MoKα","","0.0543","0.0499","","","0.1555","0.161","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512397","16.2065","0.0003","9.4982","0.0002","14.2443","0.0002","90","","90","","90","","2192.66","0.07","295","","295","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H22 N2 O3 Pd S -","- C23 H22 N2 O3 Pd S -","- C92 H88 N8 O12 Pd4 S4 -","4","1","","Luciano Canovesea; Fabiano Visentina; Carlo Levia; Claudio Santoa; Valerio Bertolasib","The interaction between heteroditopic pyridine-nitrogen NHC with novel sulfur NHC ligands in palladium(0) derivatives: Synthesis and structural characterization of a bis-carbene palladium(0) olefin complex and formation in solution of an alkene-alkyne mixed intermediate as a consequence of the ligands hemilability","Inorganica Chimica Acta","2012","390","","105","118","10.1016/j.ica.2012.04.018","","","0.71073","MoKα","","0.0413","0.0285","","","0.0637","0.0677","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512398","10.9295","0.0002","19.2442","0.0004","14.7325","0.0004","90","","97.3533","0.0008","90","","3073.19","0.12","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N5 O3 Pd S -","- C33 H33 N5 O3 Pd S -","- C132 H132 N20 O12 Pd4 S4 -","4","1","","Luciano Canovesea; Fabiano Visentina; Carlo Levia; Claudio Santoa; Valerio Bertolasib","The interaction between heteroditopic pyridine-nitrogen NHC with novel sulfur NHC ligands in palladium(0) derivatives: Synthesis and structural characterization of a bis-carbene palladium(0) olefin complex and formation in solution of an alkene-alkyne mixed intermediate as a consequence of the ligands hemilability","Inorganica Chimica Acta","2012","390","","105","118","10.1016/j.ica.2012.04.018","","","0.71073","MoKα","","0.0677","0.0382","","","0.0829","0.0929","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512399","12.437","0.005","14.52","0.005","16.254","0.005","107.875","0.005","91.203","0.005","90.528","0.005","2792.6","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H88 Mn4 N8 O56 Si W12 -","- C72 H74 Mn4 N8 O56 Si W12 -","- C72 H74 Mn4 N8 O56 Si W12 -","1","0.5","","Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su","Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates","Inorganica Chimica Acta","2012","390","","135","142","10.1016/j.ica.2012.04.011","","","0.71069","MoKα","","0.1112","0.0923","","","0.2532","0.2675","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512400","15.378","0.005","15.993","0.005","18.636","0.005","100.932","0.005","103.704","0.005","101.332","0.005","4230","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 Mn3 N6 O49 P W12 -","- C48 H42 Mn3 N6 O49 P W12 -","- C96 H84 Mn6 N12 O98 P2 W24 -","2","1","","Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su","Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates","Inorganica Chimica Acta","2012","390","","135","142","10.1016/j.ica.2012.04.011","","","0.71069","MoKα","","0.0975","0.0563","","","0.1511","0.1743","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512401","11.893","0.005","13.102","0.005","14.788","0.005","68.768","0.005","76.765","0.005","69.485","0.005","1997.9","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H74 Mn2 N6 O48 Si W12 -","- C48 H64 Mn2 N6 O48 Si W12 -","- C48 H64 Mn2 N6 O48 Si W12 -","1","0.5","","Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su","Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates","Inorganica Chimica Acta","2012","390","","135","142","10.1016/j.ica.2012.04.011","","","0.71069","MoKα","","0.086","0.0654","","","0.1302","0.1392","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512402","14.939","0.005","23.406","0.005","34.243","0.005","90","0.005","90","0.005","90","0.005","11973","5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H60 Cu6 N8 O50 Si W12 -","- C64 H56 Cu6 N8 O50 Si W12 -","- C256 H224 Cu24 N32 O200 Si4 W48 -","4","0.5","","Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su","Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates","Inorganica Chimica Acta","2012","390","","135","142","10.1016/j.ica.2012.04.011","","","0.71069","MoKα","","0.119","0.0692","","","0.1853","0.2084","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512403","11.8705","0.0003","13.3174","0.0003","12.4683","0.0003","90","","113.524","0.001","90","","1807.23","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cu2 N6 O8 -","- C38 H30 Cu2 N6 O8 -","- C76 H60 Cu4 N12 O16 -","2","0.5","","Himanshu Sekhar Jena; Vadivelu Manivannan","Diastereoselectivity in dinuclear complexes of chiral tridentate ligands","Inorganica Chimica Acta","2012","390","","154","162","10.1016/j.ica.2012.04.017","","","0.71073","MoKα","","0.0997","0.0432","","","0.12","0.1468","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512404","9.0248","0.0005","12.1801","0.0006","16.9307","0.0009","90","","101.676","0.003","90","","1822.56","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 Cu2 N4 O4 -","- C40 H38 Cl2 Cu2 N4 O4 -","- C80 H76 Cl4 Cu4 N8 O8 -","2","0.5","","Himanshu Sekhar Jena; Vadivelu Manivannan","Diastereoselectivity in dinuclear complexes of chiral tridentate ligands","Inorganica Chimica Acta","2012","390","","154","162","10.1016/j.ica.2012.04.017","","","0.71073","MoKα","","0.0439","0.0332","","","0.099","0.1078","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512405","10.8903","0.0008","13.05","0.0009","16.1451","0.0011","69.523","0.004","70.652","0.004","86.379","0.004","2024.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu2 N4 O13 S -","- C38 H30 Cu2 N4 O13 S -","- C76 H60 Cu4 N8 O26 S2 -","2","1","","Himanshu Sekhar Jena; Vadivelu Manivannan","Diastereoselectivity in dinuclear complexes of chiral tridentate ligands","Inorganica Chimica Acta","2012","390","","154","162","10.1016/j.ica.2012.04.017","","","0.71073","MoKα","","0.071","0.0444","","","0.1164","0.1329","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512406","9.7891","0.0015","13.069","0.002","13.39","0.002","109.986","0.011","104.239","0.012","91.103","0.011","1550.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 Cu2 N4 O9 S -","- C29 H30 Cu2 N4 O9 S -","- C58 H60 Cu4 N8 O18 S2 -","2","1","","Himanshu Sekhar Jena; Vadivelu Manivannan","Diastereoselectivity in dinuclear complexes of chiral tridentate ligands","Inorganica Chimica Acta","2012","390","","154","162","10.1016/j.ica.2012.04.017","","","0.71073","MoKα","","0.1914","0.0874","","","0.1898","0.2408","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512407","15.7499","0.0012","17.4273","0.0013","16.2398","0.0012","90","","114.261","0.003","90","","4063.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H41 N7 Ni2 O6 -","- C44 H41 N7 Ni2 O6 -","- C176 H164 N28 Ni8 O24 -","4","1","","Himanshu Sekhar Jena; Vadivelu Manivannan","Diastereoselectivity in dinuclear complexes of chiral tridentate ligands","Inorganica Chimica Acta","2012","390","","154","162","10.1016/j.ica.2012.04.017","","","0.71073","MoKα","","0.0778","0.0452","","","0.1148","0.1384","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512408","7.725","0.005","9.14","0.005","11.162","0.005","102.229","0.005","104.33","0.005","104.71","0.005","706.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cu N3 O6 -","- C12 H13 Cu N3 O6 -","- C24 H26 Cu2 N6 O12 -","2","1","","Prasanta Kumar Bhaumik; Subrata Jana; Shouvik Chattopadhyay","Synthesis and characterization of square planar and square pyramidal copper(II) compounds with tridentate Schiff bases: Formation of a molecular zipper via H-bonding interaction","Inorganica Chimica Acta","2012","390","","167","177","10.1016/j.ica.2012.04.004","","","0.71073","MoKα","","0.04","0.036","","","0.0945","0.0974","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512409","10.2111","0.0003","6.6366","0.0002","20.8098","0.0005","90","","101.851","0.002","90","","1380.16","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cu N5 O3 -","- C12 H13 Cu N5 O3 -","- C48 H52 Cu4 N20 O12 -","4","1","","Prasanta Kumar Bhaumik; Subrata Jana; Shouvik Chattopadhyay","Synthesis and characterization of square planar and square pyramidal copper(II) compounds with tridentate Schiff bases: Formation of a molecular zipper via H-bonding interaction","Inorganica Chimica Acta","2012","390","","167","177","10.1016/j.ica.2012.04.004","","","0.71073","MoKα","","0.0412","0.0307","","","0.0746","0.0791","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512410","7.9914","0.0001","18.2591","0.0003","9.5695","0.0002","90","","91.384","0.001","90","","1395.93","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 Cu N2 O -","- C13 H12 Cl2 Cu N2 O -","- C52 H48 Cl8 Cu4 N8 O4 -","4","1","","Prasanta Kumar Bhaumik; Subrata Jana; Shouvik Chattopadhyay","Synthesis and characterization of square planar and square pyramidal copper(II) compounds with tridentate Schiff bases: Formation of a molecular zipper via H-bonding interaction","Inorganica Chimica Acta","2012","390","","167","177","10.1016/j.ica.2012.04.004","","","0.71073","MoKα","","0.0379","0.0279","","","0.0744","0.0797","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512411","9.847","0.003","11.66","0.004","12.169","0.004","79.728","0.005","70.235","0.004","73.535","0.005","1255.7","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Co2 Mn N20 O8 -","- C44 H48 Co2 Mn N20 O8 -","- C44 H48 Co2 Mn N20 O8 -","1","0.5","","Rui-hong Zhang; Qing-lun Wang; Guang-ming Yang","Synthesis and crystal structures of the first cobalt complexes of macrocyclic oxamido","Inorganica Chimica Acta","2012","390","","178","183","10.1016/j.ica.2012.04.022","","","0.71073","MoKα","","0.0889","0.059","","","0.1547","0.1804","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512412","9.182","0.002","7.4731","0.0017","13.494","0.003","90","","106.672","0.003","90","","887","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Co N4 O2 -","- C20 H18 Co N4 O2 -","- C40 H36 Co2 N8 O4 -","2","1","","Rui-hong Zhang; Qing-lun Wang; Guang-ming Yang","Synthesis and crystal structures of the first cobalt complexes of macrocyclic oxamido","Inorganica Chimica Acta","2012","390","","178","183","10.1016/j.ica.2012.04.022","","","0.71073","MoKα","","0.0255","0.0234","","","0.0593","0.0606","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512413","8.713","0.004","9.714","0.005","13.316","0.006","97.967","0.005","95.629","0.009","104.336","0.007","1071.1","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cd0.5 Co N10 O3 -","- C20 H20 Cd0.5 Co N10 O3 -","- C40 H40 Cd Co2 N20 O6 -","2","1","","Rui-hong Zhang; Qing-lun Wang; Guang-ming Yang","Synthesis and crystal structures of the first cobalt complexes of macrocyclic oxamido","Inorganica Chimica Acta","2012","390","","178","183","10.1016/j.ica.2012.04.022","","","0.7107","MoKα","","0.0301","0.0252","","","0.0592","0.061","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512414","8.58","0.004","9.636","0.004","13.281","0.006","97.978","0.005","96.321","0.006","104.489","0.007","1040.7","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Co1.5 N10 O3 -","- C20 H18 Co1.5 N10 O3 -","- C40 H36 Co3 N20 O6 -","2","1","","Rui-hong Zhang; Qing-lun Wang; Guang-ming Yang","Synthesis and crystal structures of the first cobalt complexes of macrocyclic oxamido","Inorganica Chimica Acta","2012","390","","178","183","10.1016/j.ica.2012.04.022","","","0.7107","MoKα","","0.0705","0.0551","","","0.1325","0.1471","","","","","","0.885","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512415","19.1563","0.001","7.557","0.0004","17.1881","0.0009","90","","110.869","0.003","90","","2325","0.2","120","2","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","","Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura","Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies","Inorganica Chimica Acta","2012","390","","184","189","10.1016/j.ica.2012.04.028","","","0.71073","MOKα","","0.0501","0.0396","","","0.1066","0.1129","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512416","10.1967","0.0007","11.9793","0.0009","16.1904","0.0011","90","","90.853","0.003","90","","1977.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H24 Fe O4 -","- C24 H24 Fe O4 -","- C96 H96 Fe4 O16 -","4","1","","Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura","Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies","Inorganica Chimica Acta","2012","390","","184","189","10.1016/j.ica.2012.04.028","","x-ray","0.71073","MoKα","","0.0952","0.0771","","","0.2294","0.2425","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512417","9.7943","0.0006","17.285","0.0016","17.4952","0.0005","90","","90","","90","","2961.8","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Fe O3 -","- C19 H16 Fe O3 -","- C152 H128 Fe8 O24 -","8","1","","Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura","Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies","Inorganica Chimica Acta","2012","390","","184","189","10.1016/j.ica.2012.04.028","","","0.7107","MoKα","","0.0411","0.0312","","","0.0679","0.0724","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512418","9.1849","0.0002","9.72339","0.00018","20.6783","0.0004","90","","101.185","0.002","90","","1811.67","0.06","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Fe N2 O2 -","- C21 H22 Fe N2 O2 -","- C84 H88 Fe4 N8 O8 -","4","1","","Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura","Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies","Inorganica Chimica Acta","2012","390","","184","189","10.1016/j.ica.2012.04.028","","","0.7107","MoKα","","0.0645","0.0389","","","0.0758","0.0856","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512419","12.8967","0.0017","14.469","0.002","16.607","0.002","92.05","0.002","90.239","0.002","94.851","0.002","3085.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H63 Cl4 Cu4 N10 O16.5 -","- C51.7 H62.8 Cl4 Cu4 N10 O16.7 -","- C103.4 H125.6 Cl8 Cu8 N20 O33.4 -","2","1","","Xiao-Wen Lia; Yan-Tuan Lia; Zhi-Yong Wub; Cui-Wei Yan","Syntheses and structures of bicopper(II) complexes bridged by N-(5-chloro-2-hydroxyphenyl)-N'-[3-(dimethylamino)propyl]oxamide: Cytotoxic activities, and reactivities towards DNA and protein","Inorganica Chimica Acta","2012","390","","190","198","10.1016/j.ica.2012.04.032","","","0.71073","MoKα","","0.1177","0.0611","","","0.1441","0.1707","","","","","","1.028","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512420","10.2429","0.0004","12.1652","0.0005","12.6211","0.0005","76.473","0.003","77.1","0.003","69.452","0.003","1414.46","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C9.75 H12.5 Cl Cu N3.5 O4.5 S -","- C9.625 H12.5 Cl Cu N3.5 O4.375 S -","- C38.5 H50 Cl4 Cu4 N14 O17.5 S4 -","4","2","","Xiao-Wen Lia; Yan-Tuan Lia; Zhi-Yong Wub; Cui-Wei Yan","Syntheses and structures of bicopper(II) complexes bridged by N-(5-chloro-2-hydroxyphenyl)-N'-[3-(dimethylamino)propyl]oxamide: Cytotoxic activities, and reactivities towards DNA and protein","Inorganica Chimica Acta","2012","390","","190","198","10.1016/j.ica.2012.04.032","","","0.71073","MoKα","","0.1096","0.0452","","","0.0958","0.1171","","","","","","0.984","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512421","18.129","0.009","13.202","0.016","14.472","0.009","90","","106.89","0.04","90","","3314","5","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 B2 N4 -","- C32 H56 B2 N4 -","- C128 H224 B8 N16 -","4","1","","Kenichi Ogataa; Yoshitaka Yamaguchia; Youji Kuriharaa; Kazuyoshi Uedaa; Hirotaka Nagaob; Takashi Ito","Twisted coordination mode of bis(N-heterocyclic carbene) ligands in octahedral geometry of group 6 transition metal complexes: Synthesis, structure, and reactivity","Inorganica Chimica Acta","2012","390","","199","209","10.1016/j.ica.2012.04.027","","","0.71069","MoKα","","","0.0703","","","","0.1723","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512422","13.9","0.005","9.108","0.004","16.917","0.004","90","","109.52","0.02","90","","2018.6","1.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Mo N4 O4 -","- C20 H18 Mo N4 O4 -","- C80 H72 Mo4 N16 O16 -","4","1","","Kenichi Ogataa; Yoshitaka Yamaguchia; Youji Kuriharaa; Kazuyoshi Uedaa; Hirotaka Nagaob; Takashi Ito","Twisted coordination mode of bis(N-heterocyclic carbene) ligands in octahedral geometry of group 6 transition metal complexes: Synthesis, structure, and reactivity","Inorganica Chimica Acta","2012","390","","199","209","10.1016/j.ica.2012.04.027","","","0.71069","MoKα","","","0.0299","","","","0.0898","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512423","16.59","0.009","12.579","0.007","12.574","0.009","90","","114.94","0.04","90","","2379","3","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Mo N4 O4 -","- C24 H26 Mo N4 O4 -","- C96 H104 Mo4 N16 O16 -","4","0.5","","Kenichi Ogataa; Yoshitaka Yamaguchia; Youji Kuriharaa; Kazuyoshi Uedaa; Hirotaka Nagaob; Takashi Ito","Twisted coordination mode of bis(N-heterocyclic carbene) ligands in octahedral geometry of group 6 transition metal complexes: Synthesis, structure, and reactivity","Inorganica Chimica Acta","2012","390","","199","209","10.1016/j.ica.2012.04.027","","","0.71069","MoKα","","","0.0333","","","","0.0968","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512424","14.323","0.01","12.492","0.012","16.642","0.008","90","","92.79","0.05","90","","2974","4","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Mo N4 O6 P -","- C26 H35 Mo N4 O6 P -","- C104 H140 Mo4 N16 O24 P4 -","4","1","","Kenichi Ogataa; Yoshitaka Yamaguchia; Youji Kuriharaa; Kazuyoshi Uedaa; Hirotaka Nagaob; Takashi Ito","Twisted coordination mode of bis(N-heterocyclic carbene) ligands in octahedral geometry of group 6 transition metal complexes: Synthesis, structure, and reactivity","Inorganica Chimica Acta","2012","390","","199","209","10.1016/j.ica.2012.04.027","","","0.71069","MoKα","","","0.0632","","","","0.1834","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512425","9.633","0.007","14.182","0.009","15.5","0.014","90","","96.52","0.07","90","","2104","3","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Mo N4 O6 P -","- C17 H25 Mo N4 O6 P -","- C68 H100 Mo4 N16 O24 P4 -","4","1","","Kenichi Ogataa; Yoshitaka Yamaguchia; Youji Kuriharaa; Kazuyoshi Uedaa; Hirotaka Nagaob; Takashi Ito","Twisted coordination mode of bis(N-heterocyclic carbene) ligands in octahedral geometry of group 6 transition metal complexes: Synthesis, structure, and reactivity","Inorganica Chimica Acta","2012","390","","199","209","10.1016/j.ica.2012.04.027","","","0.71069","MoKα","","","0.0579","","","","0.1883","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512426","10.6429","0.0002","13.5876","0.0003","17.5651","0.0004","86.2114","0.0008","87.9841","0.0007","89.463","0.001","2532.93","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 Cs F6 N O12 S2 -","- C46 H54 Cs F6 N O12 S2 -","- C92 H108 Cs2 F12 N2 O24 S4 -","2","1","","Taoxiang Sun; Zheming Wang; Xinghai Shen","Crystallization of cesium complex containing bis(2-propyloxy)calix[4]crown-6 and bis[(trifluoromethyl)sulfonyl]imide","Inorganica Chimica Acta","2012","390","","8","11","10.1016/j.ica.2012.04.005","","","0.71073","MoKα","","0.1034","0.0476","","","0.1121","0.1263","","","","","","0.96","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512427","22.5251","0.0008","14.1345","0.0005","22.9835","0.0008","90","","107.622","0.004","90","","6974.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C160 H176 N24 O8 Tb2 -","- C160 H176 N24 O8 Tb2 -","- C320 H352 N48 O16 Tb4 -","2","0.5","","Peihua Zhua; Yan Wanga; Mingliang Rena; Xian Zhaob; Xiaomei Zhang","Sandwich-type heteroleptic tris(phthalocyaninato) terbium triple-decker: Single crystal structure and self-assembled nanostructures","Inorganica Chimica Acta","2012","392","","10","15","10.1016/j.ica.2012.06.022","","","0.71073","MoKα","","0.0673","0.048","","","0.1148","0.1305","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512428","19.0056","0.0019","9.6048","0.001","23.971","0.002","90","","90","","90","","4375.8","0.7","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H32 N8 O10 Zn2 -","- C48 H32 N8 O10 Zn2 -","- C192 H128 N32 O40 Zn8 -","4","1","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.71073","MoKα","","0.1417","0.0529","","","0.0913","0.1139","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512429","17.4754","0.0017","12.7417","0.0012","18.2221","0.0017","90","","90","","90","","4057.4","0.7","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N4 Ni O5 -","- C22 H16 N4 Ni O5 -","- C176 H128 N32 Ni8 O40 -","8","1","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.71073","MoKα","","0.088","0.0419","","","0.0896","0.101","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512430","17.5759","0.0005","13.2778","0.0004","18.1001","0.0005","90","","90","","90","","4224","0.2","291.15","","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Mn N4 O5 -","- C22 H16 Mn N4 O5 -","- C176 H128 Mn8 N32 O40 -","8","1","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.7107","MoKα","","0.0711","0.0442","","","0.0957","0.1088","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512431","9.8776","0.0008","12.6175","0.001","11.1748","0.0009","90","","114.2","0.001","90","","1270.33","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl0 Mn N4 O12 -","- C24 H22 Mn N4 O12 -","- C48 H44 Mn2 N8 O24 -","2","0.5","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.71073","MoKα","","0.0511","0.036","","","0.085","0.0926","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512432","9.8803","0.0008","12.5171","0.0008","11.0729","0.0009","90","","115.251","0.01","90","","1238.56","0.19","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N4 O12 -","- C24 H22 Co N4 O12 -","- C48 H44 Co2 N8 O24 -","2","0.5","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.71073","MoKα","","0.0411","0.033","","","0.076","0.0812","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512433","7.8171","0.0016","8.0306","0.0016","9.3261","0.0019","94.84","0.03","107.31","0.03","98.51","0.03","547.6","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 N6 O4 Zn2 -","- C20 H16 Cl2 N6 O4 Zn2 -","- C20 H16 Cl2 N6 O4 Zn2 -","1","0.5","","Jie Yang; Lei Shen; Gao-Wen Yang; Qiao-Yun Li; Liu-Liu Zhu; Wei Shen; Cheng Ji; Xiao-Feng Shen","Four novel coordination compounds containing Hpypza ligand [Hpypza = [3-(2-pyridyl)-1-pyrazolyl] acetic acid]","Inorganica Chimica Acta","2012","392","","25","29","10.1016/j.ica.2012.06.012","","","0.71073","MoKα","","0.0743","0.0475","","","0.0855","0.0943","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512434","7.9609","0.0016","8.7317","0.0017","9.0662","0.0018","88.48","0.03","75.85","0.03","70.57","0.03","575.3","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cd Cl N3 O2 -","- C10 H8 Cd Cl N3 O2 -","- C20 H16 Cd2 Cl2 N6 O4 -","2","1","","Jie Yang; Lei Shen; Gao-Wen Yang; Qiao-Yun Li; Liu-Liu Zhu; Wei Shen; Cheng Ji; Xiao-Feng Shen","Four novel coordination compounds containing Hpypza ligand [Hpypza = [3-(2-pyridyl)-1-pyrazolyl] acetic acid]","Inorganica Chimica Acta","2012","392","","25","29","10.1016/j.ica.2012.06.012","","","0.71073","MoKα","","0.0303","0.0274","","","0.0759","0.0771","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512435","7.7731","0.0016","8.1161","0.0016","9.3376","0.0019","95.86","0.03","105.33","0.03","97.7","0.03","557.1","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 Mn2 N6 O4 -","- C20 H16 Cl2 Mn2 N6 O4 -","- C20 H16 Cl2 Mn2 N6 O4 -","1","0.5","","Jie Yang; Lei Shen; Gao-Wen Yang; Qiao-Yun Li; Liu-Liu Zhu; Wei Shen; Cheng Ji; Xiao-Feng Shen","Four novel coordination compounds containing Hpypza ligand [Hpypza = [3-(2-pyridyl)-1-pyrazolyl] acetic acid]","Inorganica Chimica Acta","2012","392","","25","29","10.1016/j.ica.2012.06.012","","","0.71073","MoKα","","0.0851","0.0515","","","0.0992","0.1109","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512436","7.9075","0.0016","8.7088","0.0017","9.119","0.0018","91.47","0.03","103.46","0.03","109.95","0.03","570.3","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl Mn N3 O2 -","- C10 H8 Cl Mn N3 O2 -","- C20 H16 Cl2 Mn2 N6 O4 -","2","1","","Jie Yang; Lei Shen; Gao-Wen Yang; Qiao-Yun Li; Liu-Liu Zhu; Wei Shen; Cheng Ji; Xiao-Feng Shen","Four novel coordination compounds containing Hpypza ligand [Hpypza = [3-(2-pyridyl)-1-pyrazolyl] acetic acid]","Inorganica Chimica Acta","2012","392","","25","29","10.1016/j.ica.2012.06.012","","","0.71073","MoKα","","0.1244","0.0631","","","0.1015","0.1201","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512437","6.7174","0.001","8.5664","0.0013","11.2704","0.0017","93.414","0.002","93.433","0.003","92.549","0.003","645.48","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Ag2 N6 O10 -","- C24 H24 Ag2 N6 O10 -","- C24 H24 Ag2 N6 O10 -","1","0.5","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.0527","0.0513","","","0.1396","0.1414","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512438","7.7876","0.0004","16.5319","0.0008","11.0007","0.0006","90","","99.23","0.001","90","","1397.93","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 Cl2 N4 O12 -","- C24 H24 Ag2 Cl2 N4 O12 -","- C48 H48 Ag4 Cl4 N8 O24 -","2","0.5","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.0363","0.0341","","","0.093","0.0949","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512439","31.9436","0.0016","8.2466","0.0004","11.1986","0.0006","90","","93.025","0.001","90","","2945.9","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H48 Ag3 F18 N8 O8 Sb3 -","- C48 H48 Ag3 F18 N8 O8 Sb3 -","- C96 H96 Ag6 F36 N16 O16 Sb6 -","2","0.5","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.0509","0.0488","","","0.1216","0.1238","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512440","9.1724","0.001","14.1347","0.0016","15.6201","0.0018","104.655","0.002","92.791","0.002","107.932","0.001","1846.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H30 Ag2 F12 N6 O4 P2 -","- C28 H30 Ag2 F12 N6 O4 P2 -","- C56 H60 Ag4 F24 N12 O8 P4 -","2","1","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.0695","0.0498","","","0.125","0.1353","","","","","","0.933","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512441","15.5","0.002","8.5536","0.0012","25.822","0.003","90","","90","","90","","3423.5","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H38 Ag2 N4 O12 S2 -","- C28 H38 Ag2 N4 O12 S2 -","- C112 H152 Ag8 N16 O48 S8 -","4","0.5","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.1057","0.0996","","","0.3088","0.3135","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512442","21.842","0.004","8.0356","0.0016","19.031","0.004","90","","97.41","0.03","90","","3312.3","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Ag2 F6 N4 O10 S2 -","- C26 H24 Ag2 F6 N4 O10 S2 -","- C104 H96 Ag8 F24 N16 O40 S8 -","4","0.5","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.0344","0.031","","","0.0779","0.0797","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512443","12.87","0.0018","16.645","0.002","7.0312","0.001","90","","97.687","0.002","90","","1492.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Eu N2 O9 -","- C14 H9 Eu N2 O9 -","- C56 H36 Eu4 N8 O36 -","4","1","","Amanda L. Ramireza; Karah E. Knopeb; Tanya T. Kelleya; Natalie E. Greiga; Jeffrey D. Einkaufa; Daniel T. de Lill","Structure and luminescence of a 2-dimensional 2,3-pyridinedicarboxylate coordination polymer constructed from lanthanide(III) dimers","Inorganica Chimica Acta","2012","392","","46","51","10.1016/j.ica.2012.05.039","","","0.71073","MoKα","","0.0589","0.0353","","","0.0709","0.0795","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512444","12.8537","0.0018","16.731","0.002","7.0837","0.001","90","","97.17","0.002","90","","1511.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N2 Nd O9 -","- C14 H7 N2 Nd O9 -","- C56 H28 N8 Nd4 O36 -","4","1","","Amanda L. Ramireza; Karah E. Knopeb; Tanya T. Kelleya; Natalie E. Greiga; Jeffrey D. Einkaufa; Daniel T. de Lill","Structure and luminescence of a 2-dimensional 2,3-pyridinedicarboxylate coordination polymer constructed from lanthanide(III) dimers","Inorganica Chimica Acta","2012","392","","46","51","10.1016/j.ica.2012.05.039","","","0.71073","MoKα","","0.0331","0.0258","","","0.06","0.0634","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512445","12.8559","0.0018","16.655","0.002","7.0465","0.001","90","","97.533","0.002","90","","1495.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N2 O9 Sm -","- C14 H6 N2 O9 Sm -","- C56 H24 N8 O36 Sm4 -","4","1","","Amanda L. Ramireza; Karah E. Knopeb; Tanya T. Kelleya; Natalie E. Greiga; Jeffrey D. Einkaufa; Daniel T. de Lill","Structure and luminescence of a 2-dimensional 2,3-pyridinedicarboxylate coordination polymer constructed from lanthanide(III) dimers","Inorganica Chimica Acta","2012","392","","46","51","10.1016/j.ica.2012.05.039","","","0.71073","MoKα","","0.0363","0.0262","","","0.0583","0.062","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512446","12.8364","0.0016","16.747","0.002","7.0868","0.0009","90","","97.073","0.002","90","","1511.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N2 O9 Pr -","- C14 H7 N2 O9 Pr -","- C56 H28 N8 O36 Pr4 -","4","1","","Amanda L. Ramireza; Karah E. Knopeb; Tanya T. Kelleya; Natalie E. Greiga; Jeffrey D. Einkaufa; Daniel T. de Lill","Structure and luminescence of a 2-dimensional 2,3-pyridinedicarboxylate coordination polymer constructed from lanthanide(III) dimers","Inorganica Chimica Acta","2012","392","","46","51","10.1016/j.ica.2012.05.039","","","0.71073","MoKα","","0.0639","0.0434","","","0.0955","0.1064","","","","","","0.953","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512447","12.856","0.008","16.588","0.01","6.988","0.004","90","","98.018","0.007","90","","1475.7","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N2 O9 Tb -","- C14 H7 N2 O9 Tb -","- C56 H28 N8 O36 Tb4 -","4","1","","Amanda L. Ramireza; Karah E. Knopeb; Tanya T. Kelleya; Natalie E. Greiga; Jeffrey D. Einkaufa; Daniel T. de Lill","Structure and luminescence of a 2-dimensional 2,3-pyridinedicarboxylate coordination polymer constructed from lanthanide(III) dimers","Inorganica Chimica Acta","2012","392","","46","51","10.1016/j.ica.2012.05.039","","","0.71073","MoKα","","0.1084","0.0718","","","0.172","0.1988","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512448","9.4018","0.0002","18.2059","0.0004","25.6928","0.0006","90","","90","","90","","4397.79","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 F12 N5 P2 -","- C15 H19 F12 N5 P2 -","- C120 H152 F96 N40 P16 -","8","1","","Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb","Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies","Inorganica Chimica Acta","2012","392","","61","72","10.1016/j.ica.2012.06.044","","","0.71073","MoKα","","0.0663","0.0422","","","0.0894","0.0991","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512449","9.2329","0.0002","40.1567","0.0007","10.8913","0.0002","90","","120.529","0.001","90","","3478.3","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 F12 N5 P2 -","- C35 H31 F12 N5 P2 -","- C140 H124 F48 N20 P8 -","4","1","","Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb","Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies","Inorganica Chimica Acta","2012","392","","61","72","10.1016/j.ica.2012.06.044","","","0.71073","MoKα","","0.0968","0.0683","","","0.1305","0.142","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512450","8.0777","0.0001","8.7249","0.0002","10.8716","0.0002","80.703","0.001","69.877","0.001","84.58","0.001","709.35","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","1","","Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb","Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies","Inorganica Chimica Acta","2012","392","","61","72","10.1016/j.ica.2012.06.044","","","0.71073","MoKα","","0.0817","0.0535","","","0.1302","0.1608","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512451","15.4206","0.0005","13.8314","0.0004","16.7964","0.0006","90","","120.924","0.002","90","","3073.23","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(1H-imidazolium-3-ylmethyl)benzene dibromide","","- C14 H16 Br2 N4 -","- C14 H16 Br2 N4 -","- C112 H128 Br16 N32 -","8","2","","Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb","Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies","Inorganica Chimica Acta","2012","392","","61","72","10.1016/j.ica.2012.06.044","","","0.71073","MoKα","","0.0443","0.0288","","","0.0647","0.0715","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512452","8.0912","0.0005","9.5138","0.0005","14.6666","0.0008","73.789","0.002","80.073","0.002","88.031","0.002","1067.77","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1,3-Bis(3-methylimidazolium-1-ylmethyl)pyridinemercury(II) bis(hexafluorophosphate)","","- C15 H17 F12 Hg N5 P2 -","- C15 H17 F12 Hg N5 P2 -","- C30 H34 F24 Hg2 N10 P4 -","2","1","","Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb","Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies","Inorganica Chimica Acta","2012","392","","61","72","10.1016/j.ica.2012.06.044","","","0.71073","MoKα","","0.0187","0.0184","","","0.0463","0.0465","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512453","9.8524","0.0007","12.5879","0.0009","12.3942","0.0009","90","","102.67","0.001","90","","1499.71","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B F4 Fe -","- C18 H15 B F4 Fe -","- C72 H60 B4 F16 Fe4 -","4","1","","Dmitry S. Perekalin; Maria V. Babak; Eduard E. Karslyan; Yulia V. Nelyubina; Alexander R. Kudinov","Synthesis of iron complexes [(n5-indenyl)FeL3]+ from the readily available[(n5-indenyl)Fe(n6-indene)]+","Inorganica Chimica Acta","2012","392","","73","76","10.1016/j.ica.2012.06.018","","","0.71073","MoKα","","0.0455","0.0334","","","0.0776","0.0809","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512454","11.21","0.008","14.566","0.009","17.044","0.01","90","","90","","90","","2783","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 F6 Fe N3 P -","- C24 H34 F6 Fe N3 P -","- C96 H136 F24 Fe4 N12 P4 -","4","1","","Dmitry S. Perekalin; Maria V. Babak; Eduard E. Karslyan; Yulia V. Nelyubina; Alexander R. Kudinov","Synthesis of iron complexes [(n5-indenyl)FeL3]+ from the readily available[(n5-indenyl)Fe(n6-indene)]+","Inorganica Chimica Acta","2012","392","","73","76","10.1016/j.ica.2012.06.018","","","0.71073","MoKα","","0.0508","0.0378","","","0.0466","0.0482","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512455","14.207","0.005","23.962","0.005","12.772","0.005","90","0.005","90","0.005","90","0.005","4348","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H34 N4 O14 Zn2 -","- C48 H34 N4 O14 Zn2 -","- C192 H136 N16 O56 Zn8 -","4","1","","Lian-Jie Li; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Qiang Fu","Syntheses, characterization and crystal structure of d10 coordination architectures: From 1D to 3D complexes based on mixed ligands","Inorganica Chimica Acta","2012","392","","77","83","10.1016/j.ica.2012.05.037","","","0.71069","MoKα","","0.0568","0.0368","","","0.0735","0.0804","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512456","10.471","0.005","10.911","0.005","10.963","0.005","63.106","0.005","80.411","0.005","82.789","0.005","1099.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cd N2 O6 -","- C24 H18 Cd N2 O6 -","- C48 H36 Cd2 N4 O12 -","2","1","","Lian-Jie Li; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Qiang Fu","Syntheses, characterization and crystal structure of d10 coordination architectures: From 1D to 3D complexes based on mixed ligands","Inorganica Chimica Acta","2012","392","","77","83","10.1016/j.ica.2012.05.037","","","0.71069","MoKα","","0.051","0.0375","","","0.0989","0.1071","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512457","19.78","0.005","18.275","0.005","7.89","0.005","90","0.005","101.197","0.005","90","0.005","2798","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd N2 O8 -","- C32 H26 Cd N2 O8 -","- C128 H104 Cd4 N8 O32 -","4","1","","Lian-Jie Li; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Qiang Fu","Syntheses, characterization and crystal structure of d10 coordination architectures: From 1D to 3D complexes based on mixed ligands","Inorganica Chimica Acta","2012","392","","77","83","10.1016/j.ica.2012.05.037","","","0.71069","MoKα","","0.1178","0.0454","","","0.0862","0.1283","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512458","12.948","0.003","16.785","0.004","16.495","0.004","90","","90","","90","","3584.9","1.5","298","2","298","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C26 H30 Au2 F6 N2 O6 P2 S2 -","- C26 H30 Au2 F6 N2 O6 P2 S2 -","- C104 H120 Au8 F24 N8 O24 P8 S8 -","4","1","","Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet","Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes","Inorganica Chimica Acta","2012","392","","91","98","10.1016/j.ica.2012.06.024","","","0.71073","MoKα","","0.0672","0.04","","","0.0867","0.0982","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512459","11.769","0.008","13.871","0.01","16.878","0.012","80.849","0.012","74.947","0.011","67.006","0.011","2444","3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H38 Au2 F6 N2 O7 P2 S2 -","- C46 H38 Au2 F6 N2 O7 P2 S2 -","- C92 H76 Au4 F12 N4 O14 P4 S4 -","2","1","","Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet","Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes","Inorganica Chimica Acta","2012","392","","91","98","10.1016/j.ica.2012.06.024","","","0.71073","MoKα","","0.066","0.0395","","","0.1004","0.1135","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512460","16.478","0.005","16.319","0.005","12.87","0.004","90","","115.459","0.005","90","","3124.7","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H12 Au2 F10 N2 -","- C30 H12 Au2 F10 N2 -","- C120 H48 Au8 F40 N8 -","4","0.5","","Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet","Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes","Inorganica Chimica Acta","2012","392","","91","98","10.1016/j.ica.2012.06.024","","","0.71073","MoKα","","0.0747","0.0408","","","0.1035","0.1164","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512461","12.002","0.004","12.384","0.004","13.753","0.005","89.31","0.007","68.336","0.006","63.986","0.006","1679.6","1","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H27 Au F3 N2 O3 P S -","- C37 H27 Au F3 N2 O3 P S -","- C74 H54 Au2 F6 N4 O6 P2 S2 -","2","1","","Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet","Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes","Inorganica Chimica Acta","2012","392","","91","98","10.1016/j.ica.2012.06.024","","","0.71073","MoKα","","0.0739","0.041","","","0.0761","0.0862","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512462","30.0591","0.0015","13.9742","0.0006","27.4368","0.0013","90","","113.487","0.002","90","","10570","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cluster of mercury and tellurium","Diphenyl ditelluride iodide mercury (II) complex . pyridine","","- C87 H75 Hg8 I2 N3 S Te12 -","- C87 H75 Hg8 I2 N3 S Te12 -","- C348 H300 Hg32 I8 N12 S4 Te48 -","4","1","","Maisy I.P.R. Modestoa; Simone Finotoa; Gleison Antonio Casagrandea; Cristiano Raminellib; Ernesto Schulz Langc; Davi F. Backc; Samuel Leite Oliveirad; Marco Antonio U. Martines","A facile preparation of two new isostructural metal-organochalcogen clusters from simple starting materials: Sonochemical synthesis, X-ray structures and spectroscopic remarks","Inorganica Chimica Acta","2012","392","","103","107","10.1016/j.ica.2012.05.032","","","0.71073","MoKα","","0.1869","0.0697","","","0.1193","0.1499","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512463","29.5202","0.0002","13.9504","0.0001","27.2233","0.0002","90","","112.128","0.001","90","","10385.3","0.15","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chalcogenide Mercury Cluster","","- C87 H75 Br2 Hg8 N3 S Te12 -","- C87 H75 Br2 Hg8 N3 S Te12 -","- C348 H300 Br8 Hg32 N12 S4 Te48 -","4","1","","Maisy I.P.R. Modestoa; Simone Finotoa; Gleison Antonio Casagrandea; Cristiano Raminellib; Ernesto Schulz Langc; Davi F. Backc; Samuel Leite Oliveirad; Marco Antonio U. Martines","A facile preparation of two new isostructural metal-organochalcogen clusters from simple starting materials: Sonochemical synthesis, X-ray structures and spectroscopic remarks","Inorganica Chimica Acta","2012","392","","103","107","10.1016/j.ica.2012.05.032","","","0.71073","MoKα","","0.0889","0.0488","","","0.0795","0.0885","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512464","12.5549","0.0003","9.6704","0.0002","20.8482","0.0005","90","","100.466","0.001","90","","2489.09","0.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N3 Ni O P S -","- C27 H24 N3 Ni O P S -","- C108 H96 N12 Ni4 O4 P4 S4 -","4","1","","Sayanti Dattaa; Dipravath Kumar Setha; Sudeshna Gangopadhyayb; Parimal Karmakarb; Samaresh Bhattacharya","Nickel complexes of some thiosemicarbazones: Synthesis, structure, catalytic properties and cytotoxicity studies","Inorganica Chimica Acta","2012","392","","118","130","10.1016/j.ica.2012.05.034","","","0.71073","MoKα","","0.0462","0.033","","","0.0924","0.1025","","","","","","0.668","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512465","29.4973","0.0005","29.4973","0.0005","8.4812","0.0002","90","","90","","120","","6390.8","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26 H22 N8 Ni2 O2 S2 -","- C26 H22 N8 Ni2 O2 S2 -","- C234 H198 N72 Ni18 O18 S18 -","9","0.5","","Sayanti Dattaa; Dipravath Kumar Setha; Sudeshna Gangopadhyayb; Parimal Karmakarb; Samaresh Bhattacharya","Nickel complexes of some thiosemicarbazones: Synthesis, structure, catalytic properties and cytotoxicity studies","Inorganica Chimica Acta","2012","392","","118","130","10.1016/j.ica.2012.05.034","","","0.71073","MoKα","","0.0463","0.0325","","","0.0934","0.1101","","","","","","1.113","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512466","8.0988","0.0003","7.197","0.0002","25.3321","0.0008","90","","93.636","0.002","90","","1473.56","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 Ni O S -","- C14 H14 N4 Ni O S -","- C56 H56 N16 Ni4 O4 S4 -","4","1","","Sayanti Dattaa; Dipravath Kumar Setha; Sudeshna Gangopadhyayb; Parimal Karmakarb; Samaresh Bhattacharya","Nickel complexes of some thiosemicarbazones: Synthesis, structure, catalytic properties and cytotoxicity studies","Inorganica Chimica Acta","2012","392","","118","130","10.1016/j.ica.2012.05.034","","","0.71073","MoKα","","0.0792","0.0466","","","0.1023","0.115","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512467","12.2491","0.0002","15.3704","0.0003","16.5693","0.0003","105.744","0.0006","105.875","0.0007","108.035","0.0006","2628.12","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H102 Mo2 N8 O11 P4 -","- C57 H44 Mo N4 O5.5 P2 -","- C114 H88 Mo2 N8 O11 P4 -","2","1","","Janusz Szklarzewicz; Katarzyna Stadnicka","Endiol ligand formation from 2-pyridinecarboxaldehyde on a Mo(IV) centre. The X-ray crystal structure and properties of the Mo(IV) binuclear complex","Inorganica Chimica Acta","2012","392","","131","136","10.1016/j.ica.2012.06.036","","","0.71073","MoKα","","0.0741","0.0494","","","0.1289","0.1432","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512468","12.169","0.005","16.839","0.005","18.493","0.005","90","","131.15","0.016","90","","2853.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O6 Zn -","- C11 H13 N5 O6 Zn -","- C88 H104 N40 O48 Zn8 -","8","2","","Stephen O. Ojwach; George S. Nyamato; Benard Omondi; James Darkw","Chelating (pyrazolylmethyl)pyridine ligands: Coordination chemistry and binding properties with zinc(II) and cadmium(II) cations","Inorganica Chimica Acta","2012","392","","141","147","10.1016/j.ica.2012.07.005","","","0.71069","MoKα","","0.0918","0.0451","","","0.0923","0.1045","","","","","","0.913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512469","15.4975","0.0007","9.8086","0.0004","19.9825","0.0007","90","","117.01","0.003","90","","2706.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cd Cl3 N5 O7 -","- C18 H28 Cd Cl3 N5 O7 -","- C72 H112 Cd4 Cl12 N20 O28 -","4","1","","Stephen O. Ojwach; George S. Nyamato; Benard Omondi; James Darkw","Chelating (pyrazolylmethyl)pyridine ligands: Coordination chemistry and binding properties with zinc(II) and cadmium(II) cations","Inorganica Chimica Acta","2012","392","","141","147","10.1016/j.ica.2012.07.005","","","0.71073","MoKα","","0.0383","0.0328","","","0.0736","0.078","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512470","7.4953","0.0006","13.927","0.001","15.7195","0.0012","90","","92.078","0.002","90","","1639.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cd N5 O7 -","- C12 H16 Cd N5 O7 -","- C48 H64 Cd4 N20 O28 -","4","1","","Stephen O. Ojwach; George S. Nyamato; Benard Omondi; James Darkw","Chelating (pyrazolylmethyl)pyridine ligands: Coordination chemistry and binding properties with zinc(II) and cadmium(II) cations","Inorganica Chimica Acta","2012","392","","141","147","10.1016/j.ica.2012.07.005","","","0.71073","MoKα","","0.0422","0.0338","","","0.0683","0.0731","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512471","23.5595","0.0015","11.204","0.0007","41.518","0.003","90","","94.516","0.001","90","","10925.1","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H102 Co3 N12 O18 -","- C108 H102 Co3 N12 O18 -","- C432 H408 Co12 N48 O72 -","4","0.5","","Jun Zhang; Yun-Shan Xue; Hong-Mei Wang; Min Fang; Hong-Bin Du; Yi-Zhi Li; Xiao-Zeng You","Three open-framework coordination polymers with new topological structures built on two tripod ligands","Inorganica Chimica Acta","2012","392","","148","153","10.1016/j.ica.2012.06.034","","","0.71073","MoKα","","0.1037","0.0652","","","0.1698","0.1846","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512472","23.4616","0.0013","11.2113","0.0006","41.58","0.002","90","","93.472","0.001","90","","10916.9","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H102 N12 O18 Zn3 -","- C108 H102 N12 O18 Zn3 -","- C432 H408 N48 O72 Zn12 -","4","0.5","","Jun Zhang; Yun-Shan Xue; Hong-Mei Wang; Min Fang; Hong-Bin Du; Yi-Zhi Li; Xiao-Zeng You","Three open-framework coordination polymers with new topological structures built on two tripod ligands","Inorganica Chimica Acta","2012","392","","148","153","10.1016/j.ica.2012.06.034","","","0.71073","MoKα","","0.0772","0.0498","","","0.1169","0.1224","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512473","24.1","0.003","11.4627","0.0014","41.889","0.005","90","","96.397","0.002","90","","11500","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H102 Cd3 N12 O18 -","- C108 H102 Cd3 N12 O18 -","- C432 H408 Cd12 N48 O72 -","4","0.5","","Jun Zhang; Yun-Shan Xue; Hong-Mei Wang; Min Fang; Hong-Bin Du; Yi-Zhi Li; Xiao-Zeng You","Three open-framework coordination polymers with new topological structures built on two tripod ligands","Inorganica Chimica Acta","2012","392","","148","153","10.1016/j.ica.2012.06.034","","","0.71073","MoKα","","0.1158","0.0683","","","0.1576","0.1698","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512474","9.985","0.005","23.899","0.005","10.574","0.005","90","0.005","103.997","0.005","90","0.005","2448.4","1.8","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C30 H24 Cu3 Mo5 N12 O30 P2 -","- C30 H24 Cu3 Mo5 N12 O30 P2 -","- C60 H48 Cu6 Mo10 N24 O60 P4 -","2","0.5","","Xiang Wang; Dandan Wang; Mingguan Liu; Cuili Meng; Aixiang Tian; Kundawlet Alimaje; Zhenyu Shi","Two polyoxomolybdate-tuned hybrids composed of tripodal star-like ligand copper complexes","Inorganica Chimica Acta","2012","392","","160","164","10.1016/j.ica.2012.07.011","","","0.71069","MoKα","","0.0869","0.0573","","","0.1469","0.1658","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512475","20.73","0.005","14.554","0.005","19.411","0.005","90","0.005","95.352","0.005","90","0.005","5831","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cu2 Mo12 N12 O41 P -","- C30 H24 Cu2 Mo12 N12 O41 P -","- C120 H96 Cu8 Mo48 N48 O164 P4 -","4","0.5","","Xiang Wang; Dandan Wang; Mingguan Liu; Cuili Meng; Aixiang Tian; Kundawlet Alimaje; Zhenyu Shi","Two polyoxomolybdate-tuned hybrids composed of tripodal star-like ligand copper complexes","Inorganica Chimica Acta","2012","392","","160","164","10.1016/j.ica.2012.07.011","","","0.71069","MoKα","","0.0938","0.0568","","","0.1318","0.1503","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512476","22.3332","0.0009","8.4153","0.0003","18.0526","0.0011","90","","127.582","0.002","90","","2688.7","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N2 Ni O2.5 -","- C12 H19 N2 Ni O2.5 -","- C96 H152 N16 Ni8 O20 -","8","1","","Guo-Bi Li; Xu-Jia Hong; Zhi-Gang Gu; Zhi-Peng Zheng; Yang-Yang Wu; Hong-Yang Jia; Jie Liu; Yue-Peng Cai","Efficient synthesis and characterization of the low dimensional heteronuclear complexes with a N2O2-donor Schiff base ligand","Inorganica Chimica Acta","2012","392","","177","183","10.1016/j.ica.2012.05.031","","","0.71073","MoKα","","0.041","0.0289","","","0.0741","0.0809","","","","","","1.024","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1512477","8.5941","0.0007","18.1783","0.0014","20.8102","0.0014","84.074","0.005","88.665","0.005","76.688","0.006","3146.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 N3 Na Ni O5 -","- C12 H18 N3 Na Ni O5 -","- C96 H144 N24 Na8 Ni8 O40 -","8","4","","Guo-Bi Li; Xu-Jia Hong; Zhi-Gang Gu; Zhi-Peng Zheng; Yang-Yang Wu; Hong-Yang Jia; Jie Liu; Yue-Peng Cai","Efficient synthesis and characterization of the low dimensional heteronuclear complexes with a N2O2-donor Schiff base ligand","Inorganica Chimica Acta","2012","392","","177","183","10.1016/j.ica.2012.05.031","","","0.71073","MoKα","","0.1791","0.0613","","","0.1468","0.196","","","","","","0.952","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1512478","7.6414","0.0012","19.87","0.003","21.191","0.003","90","","111.137","0.004","90","","3001.1","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl N4 Na Ni2 O8 -","- C24 H36 Cl N4 Na Ni2 O8 -","- C96 H144 Cl4 N16 Na4 Ni8 O32 -","4","1","","Guo-Bi Li; Xu-Jia Hong; Zhi-Gang Gu; Zhi-Peng Zheng; Yang-Yang Wu; Hong-Yang Jia; Jie Liu; Yue-Peng Cai","Efficient synthesis and characterization of the low dimensional heteronuclear complexes with a N2O2-donor Schiff base ligand","Inorganica Chimica Acta","2012","392","","177","183","10.1016/j.ica.2012.05.031","","","0.71073","MoKα","","0.1408","0.0594","","","0.1407","0.1718","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512479","36.748","0.003","20.6365","0.0009","19.503","0.003","90","","119.74","0.08","90","","12842","11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Cl2 N6 Ni O10 -","- C24 H50 Cl2 N6 Ni O10 -","- C384 H800 Cl32 N96 Ni16 O160 -","16","2","","Soonmoo Bang; Nahee Kim; Shin-Geol Kang; Jong Hwa Jeong","Synthesis and hydrolysis of cis-octahedral nickel(II) complexes with C-racemic tetraaza macrocycles bearing two imidate ester pendant arms","Inorganica Chimica Acta","2012","392","","184","191","10.1016/j.ica.2012.05.035","","","0.71073","MoKα","","0.1449","0.0551","","","0.1445","0.161","","","","","","0.917","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512480","12.8688","0.0014","17.306","0.002","15.1606","0.0017","90","","98.251","0.002","90","","3341.4","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H49 Cl2 N7 Ni O10 -","- C24 H49 Cl2 N7 Ni O10 -","- C96 H196 Cl8 N28 Ni4 O40 -","4","1","","Soonmoo Bang; Nahee Kim; Shin-Geol Kang; Jong Hwa Jeong","Synthesis and hydrolysis of cis-octahedral nickel(II) complexes with C-racemic tetraaza macrocycles bearing two imidate ester pendant arms","Inorganica Chimica Acta","2012","392","","184","191","10.1016/j.ica.2012.05.035","","","0.71073","MoKα","","0.1352","0.0766","","","0.1983","0.2763","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512481","10.9943","0.0007","11.2068","0.0007","11.9861","0.0008","93.563","0.001","103.708","0.001","116.386","0.001","1261.26","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 N4 O16 S2 V2 -","- C42 H72 N4 O16 S2 V2 -","- C42 H72 N4 O16 S2 V2 -","1","0.5","","Evgenia S. Bazhinaa; Marina E. Nikiforova; Grigory G. Aleksandrov; Nikolay N. Efimov; Helena A. Ugolkova; Oleg M. Nikitin; Tatiana V. Magdesieva; Artem S. Bogomyakov; Vadim V. Minin; Aleksei A. Sidorov; Vladimir M. Novotortsev; Igor L. Eremenko","New sulfate-bridged dinuclear oxidovanadium complexes","Inorganica Chimica Acta","2012","392","","192","198","10.1016/j.ica.2012.06.001","","","0.71073","MoKα","","0.0482","0.038","","","0.1177","0.1254","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512482","11.5135","0.0011","14.5163","0.0014","15.2416","0.0015","115.275","0.001","91.836","0.002","92.638","0.001","2297.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 N6 O8 S V2 -","- C40 H54 N6 O8 S V2 -","- C80 H108 N12 O16 S2 V4 -","2","1","","Evgenia S. Bazhinaa; Marina E. Nikiforova; Grigory G. Aleksandrov; Nikolay N. Efimov; Helena A. Ugolkova; Oleg M. Nikitin; Tatiana V. Magdesieva; Artem S. Bogomyakov; Vadim V. Minin; Aleksei A. Sidorov; Vladimir M. Novotortsev; Igor L. Eremenko","New sulfate-bridged dinuclear oxidovanadium complexes","Inorganica Chimica Acta","2012","392","","192","198","10.1016/j.ica.2012.06.001","","","0.71073","MoKα","","0.0885","0.0486","","","0.1238","0.174","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512483","12.786","0.003","16.59","0.003","19.652","0.004","90","","106.68","0.03","90","","3993.2","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 Co F6 N5 O2 P -","- C32 H41 Co F6 N5 O2 P -","- C128 H164 Co4 F24 N20 O8 P4 -","4","1","","Fan Yu; Bao Li","The effects of tripodal ligands on charge distribution in cobalt(III)-catecholate and cobalt(II)-semiquinonate compounds","Inorganica Chimica Acta","2012","392","","199","203","10.1016/j.ica.2012.06.023","","","0.71073","MoKα","","0.1687","0.0916","","","0.2572","0.2905","","","","","","0.962","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512484","9.6337","0.0003","14.4703","0.0005","14.8189","0.0006","108.929","0.004","95.084","0.003","101.405","0.003","1889.32","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H47 Co F6 N7 O3 P -","- C32 H47 Co F6 N7 O3 P -","- C64 H94 Co2 F12 N14 O6 P2 -","2","1","","Fan Yu; Bao Li","The effects of tripodal ligands on charge distribution in cobalt(III)-catecholate and cobalt(II)-semiquinonate compounds","Inorganica Chimica Acta","2012","392","","199","203","10.1016/j.ica.2012.06.023","","","0.71073","MoKα","","0.0591","0.0477","","","0.1345","0.1394","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512604","8.606","0.0013","18.876","0.003","20.468","0.0015","90","","106.675","0.008","90","","3185.1","0.7","198","2","198","2","","","101.3","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F12 N6 O2 P2 Pd -","- C25 H26 F12 N6 O2 P2 Pd -","- C100 H104 F48 N24 O8 P8 Pd4 -","4","1","","Allolio, Christoph; Doering, Katrin; Munz, Dominik; Poethig, Alexander; Doert, Thomas; Lang, Heinrich; Strassner, Thomas","Methoxyaryl Substituted Palladium bis-NHC Complexes - Synthesis and Electronic Effects","Inorganica Chimica Acta","2012","392","","204","210","10.1016/j.ica.2012.06.009","","","0.71073","MoKα","","0.0537","0.0378","","","0.0882","0.0968","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512605","10.9509","0.0013","14.4682","0.0019","15.4482","0.0018","79.084","0.011","81.984","0.011","81.475","0.012","2361.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45 O9 P3 Ru3 -","- C45 H39 O9 P3 Ru3 -","- C90 H78 O18 P6 Ru6 -","2","1","","Alejandro J. Arce; Ysaura De Sanctis; Maria Cristina Goite; Ruben Machado; Yomaira Otero; Teresa Gonzalez","Insertion of a phospholide unit into a metalmetal bond: Synthesis and X-ray structure of [Ru3(CO)9(nu:?1:?5-PC4H2Me2)(?1-C6H5)]","Inorganica Chimica Acta","2012","392","","241","245","10.1016/j.ica.2012.01.033","","","0.7107","MoKα","","0.0436","0.0323","","","0.0767","0.0869","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512606","10.502","0.004","14.51","0.004","16.746","0.005","90","","106.254","0.007","90","","2449.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 O9 P Ru3 -","- C21 H13 O9 P Ru3 -","- C84 H52 O36 P4 Ru12 -","4","1","","Alejandro J. Arce; Ysaura De Sanctis; Maria Cristina Goite; Ruben Machado; Yomaira Otero; Teresa Gonzalez","Insertion of a phospholide unit into a metalmetal bond: Synthesis and X-ray structure of [Ru3(CO)9(nu:?1:?5-PC4H2Me2)(?1-C6H5)]","Inorganica Chimica Acta","2012","392","","241","245","10.1016/j.ica.2012.01.033","","","0.7107","MoKα","","0.0413","0.0339","","","0.0778","0.0823","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512607","9.871","0.006","10.035","0.006","12.684","0.006","91.83","0.02","95.121","0.007","102.21","0.02","1221.4","1.2","293","2","293","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C21 H14 O9 Os3 P -","- C21 H14 O9 Os3 P -","- C42 H28 O18 Os6 P2 -","2","1","","Alejandro J. Arce; Ysaura De Sanctis; Maria Cristina Goite; Ruben Machado; Yomaira Otero; Teresa Gonzalez","Insertion of a phospholide unit into a metalmetal bond: Synthesis and X-ray structure of [Ru3(CO)9(nu:?1:?5-PC4H2Me2)(?1-C6H5)]","Inorganica Chimica Acta","2012","392","","241","245","10.1016/j.ica.2012.01.033","","","0.7107","MoKα","","0.0456","0.0388","","","0.0891","0.0947","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512608","12.107","0.005","7.056","0.003","26.797","0.012","90","","94.771","0.004","90","","2281.3","1.7","153","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 N2 O4 Pt -","- C24 H21 N2 O4 Pt -","- C96 H84 N8 O16 Pt4 -","4","1","","Yuriko Abe; Yuko Takagi; Miyuki Nakamura; Tomoaki Tanase; Miho Yokokawa; Hidetomo Mukai; Kazuchika Ohta","Structural, Photophysical, and Mesomorphic Properties of Luminescent Platinum(II)-Salen Schiff Base Complexes","Inorganica Chimica Acta","2012","392","","254","260","10.1016/j.ica.2012.02.041","","","0.7107","MoKα","","","0.0731","","","","0.2286","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512609","9.638","0.004","10.028","0.004","31.857","0.012","90","","90.376","0.007","90","","3079","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N3 O2 Pt -","- C39 H29 N3 O2 Pt -","- C156 H116 N12 O8 Pt4 -","4","1","","Dongfang Qiu; Qian Zhao; Hongwei Wang; Yuquan Feng; Xiaoyu Bao; Yingchen Guo; Qunzeng Huang","Synthesis, crystal structure and photophysical properties of cyclometalated platinum(II) complexes with enhanced intramolecular donor-acceptor (D-A) interaction","Inorganica Chimica Acta","2012","392","","261","267","10.1016/j.ica.2012.03.038","","","0.71073","MoKα","","0.0814","0.0418","","","0.0807","0.1048","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512610","9.0432","0.0015","10.8298","0.0019","17.173","0.003","90","","90","","90","","1681.9","0.5","228","2","228","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N5 -","- C16 H29 N5 -","- C64 H116 N20 -","4","1","","Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp","Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate","Inorganica Chimica Acta","2012","392","","268","276","10.1016/j.ica.2012.03.025","","","0.71073","MoKα","","0.0683","0.0519","","","0.1466","0.1564","","","","","","1.081","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512611","8.3721","0.0009","8.5895","0.001","12.9308","0.0013","100.684","0.007","92.958","0.007","113.635","0.006","828.88","0.16","228","2","228","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H29 N5 -","- C16 H29 N5 -","- C32 H58 N10 -","2","1","","Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp","Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate","Inorganica Chimica Acta","2012","392","","268","276","10.1016/j.ica.2012.03.025","","","0.71073","MoKα","","0.1089","0.0735","","","0.2311","0.2542","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512612","9.0173","0.0005","8.9427","0.0005","21.7369","0.0013","90","","103.233","0.004","90","","1706.3","0.17","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H31 N5 O2 -","- C13 H31 N5 O2 -","- C52 H124 N20 O8 -","4","1","","Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp","Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate","Inorganica Chimica Acta","2012","392","","268","276","10.1016/j.ica.2012.03.025","","","0.71073","MoKα","","0.1216","0.0667","","","0.1792","0.2176","","","","","","1.036","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512613","10.2173","0.0004","15.8808","0.0007","14.6819","0.0006","90","","97.263","0.002","90","","2363.15","0.17","228","2","228","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 Cl2 N5 O8 Zn -","- C16 H29 Cl2 N5 O8 Zn -","- C64 H116 Cl8 N20 O32 Zn4 -","4","1","","Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp","Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate","Inorganica Chimica Acta","2012","392","","268","276","10.1016/j.ica.2012.03.025","","","0.71073","MoKα","","0.0943","0.057","","","0.1598","0.1879","","","","","","1.034","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512614","8.4545","0.0005","25.9833","0.0014","12.9443","0.0007","90","","123.926","0.004","90","","2359.5","0.3","228","2","228","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 Cd Cl2 N5 O8 -","- C16 H29 Cd Cl2 N5 O8 -","- C64 H116 Cd4 Cl8 N20 O32 -","4","1","","Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp","Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate","Inorganica Chimica Acta","2012","392","","268","276","10.1016/j.ica.2012.03.025","","","0.71073","MoKα","","0.1484","0.0608","","","0.1426","0.1912","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512615","10.0465","0.0003","14.0838","0.0004","16.2733","0.0005","90","","90","","90","","2302.56","0.12","228","2","228","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H29 Cl2 N5 O9 Zn -","- C14 H29 Cl2 N5 O9 Zn -","- C56 H116 Cl8 N20 O36 Zn4 -","4","1","","Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp","Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate","Inorganica Chimica Acta","2012","392","","268","276","10.1016/j.ica.2012.03.025","","","0.71073","MoKα","","0.0497","0.0399","","","0.1019","0.1085","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512616","8.6521","0.0017","26.552","0.005","10.833","0.002","90","","111.14","0.03","90","","2321.2","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O -","- C30 H29 N O -","- C120 H116 N4 O4 -","4","1","","Zihong Zhou; Wen Li; Xiaohua Hou; Xiang Hao; Langqiu Chen; Carl Redshaw; Wen-Hua Sun","Synthesis, structure and photophysical properties of 2-benzhydryl-4-methyl-6-(aryliminomethyl)phenol ligands and the zinc complexes thereof","Inorganica Chimica Acta","2012","392","","292","299","10.1016/j.ica.2012.03.046","","","0.71073","MoKα","","","0.1152","","","0.2625","","","","","","","1.238","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512617","12.433","0.003","15.346","0.003","15.863","0.003","70.36","0.03","70.72","0.03","72.6","0.03","2629.8","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 N2 O2 Zn -","- C62 H60 N2 O2 Zn -","- C124 H120 N4 O4 Zn2 -","2","1","","Zihong Zhou; Wen Li; Xiaohua Hou; Xiang Hao; Langqiu Chen; Carl Redshaw; Wen-Hua Sun","Synthesis, structure and photophysical properties of 2-benzhydryl-4-methyl-6-(aryliminomethyl)phenol ligands and the zinc complexes thereof","Inorganica Chimica Acta","2012","392","","292","299","10.1016/j.ica.2012.03.046","","","0.71073","MoKα","","","0.0704","","","0.1799","0.1918","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512618","21.925","0.004","16.424","0.003","16.866","0.003","90","","90","","90","","6073.4","1.9","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H64 N2 O2 Zn -","- C64 H64 N2 O2 Zn -","- C256 H256 N8 O8 Zn4 -","4","0.5","","Zihong Zhou; Wen Li; Xiaohua Hou; Xiang Hao; Langqiu Chen; Carl Redshaw; Wen-Hua Sun","Synthesis, structure and photophysical properties of 2-benzhydryl-4-methyl-6-(aryliminomethyl)phenol ligands and the zinc complexes thereof","Inorganica Chimica Acta","2012","392","","292","299","10.1016/j.ica.2012.03.046","","","0.71073","MoKα","","","0.0812","","","0.203","0.2111","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512619","18.3627","0.001","14.175","0.0008","16.5005","0.0009","90","","102.505","0.001","90","","4193","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Au2 Cl4 N2 O4 P2 S2 -","- C40 H34 Au2 Cl4 N2 O4 P2 S2 -","- C160 H136 Au8 Cl16 N8 O16 P8 S8 -","4","0.5","","Janet B. Foley; Angela Herring; Bo Li; Evgeny Dikarev","Photochemical reactivity of Two Gold(I) Dinuclear Complexes, Cis/Trans-(AupNBT)2dppee: Isomerization for Cis-(AupNBT)2dppee Isomer, Wavelength Dependent Radical Substitution for trans‒(AupNBT)2dppee.","Inorganica Chimica Acta","2012","392","","300","310","10.1016/j.ica.2012.03.030","","","0.71073","MoKα","","0.025","0.022","","","0.0566","0.058","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512620","12.3682","0.001","13.1123","0.001","14.6372","0.0012","66.724","0.001","68.777","0.001","80.153","0.001","2031.6","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H32 Au2 Cl2 N2 O4 P2 S2 -","- C39 H32 Au2 Cl2 N2 O4 P2 S2 -","- C78 H64 Au4 Cl4 N4 O8 P4 S4 -","2","1","","Janet B. Foley; Angela Herring; Bo Li; Evgeny Dikarev","Photochemical reactivity of Two Gold(I) Dinuclear Complexes, Cis/Trans-(AupNBT)2dppee: Isomerization for Cis-(AupNBT)2dppee Isomer, Wavelength Dependent Radical Substitution for trans‒(AupNBT)2dppee.","Inorganica Chimica Acta","2012","392","","300","310","10.1016/j.ica.2012.03.030","","","0.71073","MoKα","","0.0523","0.042","","","0.1091","0.1155","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512621","16.5106","0.0006","15.0625","0.0005","11.346","0.0004","90","","117.063","0.001","90","","2512.7","0.15","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Au2 Cl2 P2 -","- C26 H22 Au2 Cl2 P2 -","- C104 H88 Au8 Cl8 P8 -","4","0.5","","Janet B. Foley; Angela Herring; Bo Li; Evgeny Dikarev","Photochemical reactivity of Two Gold(I) Dinuclear Complexes, Cis/Trans-(AupNBT)2dppee: Isomerization for Cis-(AupNBT)2dppee Isomer, Wavelength Dependent Radical Substitution for trans‒(AupNBT)2dppee.","Inorganica Chimica Acta","2012","392","","300","310","10.1016/j.ica.2012.03.030","","","0.71073","MoKα","","0.0174","0.0168","","","0.0439","0.0443","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512622","8.1675","0.0002","23.4539","0.0006","6.5517","0.0002","90","","100.814","0.001","90","","1232.75","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Mn N4 O3 -","- C12 H8 Mn N4 O3 -","- C48 H32 Mn4 N16 O12 -","4","1","","Xiu-Mei Zhang; Wei Gao; Jie-Ping Liu; En-Qing Gao","Mixed-bridging manganese(II) and copper(II) complexes with azide and pyridylbenzoate N-oxide: Structures and magnetic properties","Inorganica Chimica Acta","2012","392","","311","316","10.1016/j.ica.2012.03.050","","","0.71073","MoKα","","0.0319","0.029","","","0.0747","0.0767","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512623","7.9405","0.0003","6.3841","0.0002","23.465","0.0007","90","","94.693","0.001","90","","1185.52","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N4 O3 -","- C12 H8 Cu N4 O3 -","- C48 H32 Cu4 N16 O12 -","4","1","","Xiu-Mei Zhang; Wei Gao; Jie-Ping Liu; En-Qing Gao","Mixed-bridging manganese(II) and copper(II) complexes with azide and pyridylbenzoate N-oxide: Structures and magnetic properties","Inorganica Chimica Acta","2012","392","","311","316","10.1016/j.ica.2012.03.050","","","0.71073","MoKα","","0.03","0.0259","","","0.0709","0.0734","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512624","19.3907","0.0009","13.5643","0.0004","21.5049","0.0009","90","","114.12","0.005","90","","5162.4","0.4","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra(3-acetyl-4-methyl-5-carboxylate-pyrazolato)-μ-pyrazolato)- tetra(pyridine)tetra(copper(II))","","- C48 H52 Cu4 N12 O16 -","- C48 H52 Cu4 N12 O16 -","- C192 H208 Cu16 N48 O64 -","4","1","","Malinkin, Sergej; Penkova, Larysa; Moroz, Yurii; Maciag, Anna; Haukka, Matti; Szebesczyk, Agnieszka; Kozlowski, Henryk; Gumienna-Kontecka, Elzbieta; Pavlenko, Vadim; Meyer, Franc; Nordlander, Ebbe; Fritsky, Igor","Novel pyrazolate-based copper(II) [2x2] grid complexes: Synthesis, structure and properties","Inorganica Chimica Acta","2012","392","","322","330","10.1016/j.ica.2012.03.021","","","0.71073","MoKα","","0.0591","0.035","","","0.0784","0.0827","","","","","","0.894","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512625","22.063","0.008","11.815","0.004","22.336","0.008","90","","111.27","0.04","90","","5426","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H50 Cu4 N20 Na4 O20 -","- C35 H49.5 Cu4 N20 Na4 O19.5 -","- C140 H198 Cu16 N80 Na16 O78 -","4","0.5","","Malinkin, Sergej; Penkova, Larysa; Moroz, Yurii; Maciag, Anna; Haukka, Matti; Szebesczyk, Agnieszka; Kozlowski, Henryk; Gumienna-Kontecka, Elzbieta; Pavlenko, Vadim; Meyer, Franc; Nordlander, Ebbe; Fritsky, Igor","Novel pyrazolate-based copper(II) [2x2] grid complexes: Synthesis, structure and properties","Inorganica Chimica Acta","2012","392","","322","330","10.1016/j.ica.2012.03.021","","","0.71073","MoKα","","0.0619","0.0381","","","0.0984","0.1027","","","","","","0.976","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512626","8.4261","0.0019","10.766","0.004","19.767","0.005","90","","90","","90","","1793.2","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 Cl2 Cu N2 O6 -","- C12 H22 Cl2 Cu N2 O6 -","- C48 H88 Cl8 Cu4 N8 O24 -","4","1","","Takashi Tsuno; Daiki Kato; Henri Brunner; Hayato Ike","Synthesis and structural characterization of bis[(4S,5R)-4-methoxycarbonyl- 5-methyl-1,3-oxazolidine]copper(II) dichloride and bis[(4S,5R)-4- methoxycarbonyl-5-methyl-2-oxazoline]-[(4S,5R)-4-methoxycarbonyl-5-methyl-1,3- oxazolidine]ruthenium(III) trichloride","Inorganica Chimica Acta","2012","392","","331","334","10.1016/j.ica.2012.03.003","","x-ray","0.71073","MoKα","","0.0422","0.0358","","","0.0764","0.0794","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512627","11.019","0.005","11.209","0.005","11.378","0.005","90","","109.61","0.019","90","","1323.8","1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H29 Cl3 N3 O9 Ru -","- C18 H29 Cl3 N3 O9 Ru -","- C36 H58 Cl6 N6 O18 Ru2 -","2","1","","Takashi Tsuno; Daiki Kato; Henri Brunner; Hayato Ike","Synthesis and structural characterization of bis[(4S,5R)-4-methoxycarbonyl- 5-methyl-1,3-oxazolidine]copper(II) dichloride and bis[(4S,5R)-4- methoxycarbonyl-5-methyl-2-oxazoline]-[(4S,5R)-4-methoxycarbonyl-5-methyl-1,3- oxazolidine]ruthenium(III) trichloride","Inorganica Chimica Acta","2012","392","","331","334","10.1016/j.ica.2012.03.003","","x-ray","0.71073","MoKα","","0.0639","0.0506","","","0.1021","0.1091","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512628","10.365","0.0004","6.6892","0.0002","21.1397","0.0007","90","","95.182","0.002","90","","1459.7","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 Se2 -","- C14 H16 N2 Se2 -","- C56 H64 N8 Se8 -","4","1","","Jaspreet S. Dhau; Amritpal Singh; Avtar Singh; Balwinder S. Sooch; Paula Brandao; Vitor Felix","Synthesis, characterization and X-ray structure of 3,4-lutidinyl-, 3-/4-picolyl- and pyridylselenium compounds","Inorganica Chimica Acta","2012","392","","335","344","10.1016/j.ica.2012.03.043","","","0.71073","MoKα","","0.0404","0.0263","","","0.0548","0.0587","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512629","5.312","0.0003","16.3259","0.0008","12.3903","0.0006","90","","101.301","0.002","90","","1053.69","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N Se2 -","- C9 H13 N Se2 -","- C36 H52 N4 Se8 -","4","1","","Jaspreet S. Dhau; Amritpal Singh; Avtar Singh; Balwinder S. Sooch; Paula Brandao; Vitor Felix","Synthesis, characterization and X-ray structure of 3,4-lutidinyl-, 3-/4-picolyl- and pyridylselenium compounds","Inorganica Chimica Acta","2012","392","","335","344","10.1016/j.ica.2012.03.043","","","0.71073","MoKα","","0.046","0.0376","","","0.1029","0.1179","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512630","8.1417","0.0005","21.6308","0.0014","5.6145","0.0003","90","","100.286","0.002","90","","972.89","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N Se2 -","- C8 H11 N Se2 -","- C32 H44 N4 Se8 -","4","1","","Jaspreet S. Dhau; Amritpal Singh; Avtar Singh; Balwinder S. Sooch; Paula Brandao; Vitor Felix","Synthesis, characterization and X-ray structure of 3,4-lutidinyl-, 3-/4-picolyl- and pyridylselenium compounds","Inorganica Chimica Acta","2012","392","","335","344","10.1016/j.ica.2012.03.043","","","0.71073","MoKα","","0.052","0.0463","","","0.1437","0.1479","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512631","10.321","0.003","5.3769","0.0017","15.617","0.004","90","","90","","90","","866.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N Se2 -","- C7 H9 N Se2 -","- C28 H36 N4 Se8 -","4","1","","Jaspreet S. Dhau; Amritpal Singh; Avtar Singh; Balwinder S. Sooch; Paula Brandao; Vitor Felix","Synthesis, characterization and X-ray structure of 3,4-lutidinyl-, 3-/4-picolyl- and pyridylselenium compounds","Inorganica Chimica Acta","2012","392","","335","344","10.1016/j.ica.2012.03.043","","","0.71073","MoKα","","0.0243","0.0213","","","0.048","0.0487","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512632","5.2757","0.0002","27.3034","0.0012","9.0001","0.0004","90","","101.042","0.002","90","","1272.41","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N Se3 -","- C10 H15 N Se3 -","- C40 H60 N4 Se12 -","4","1","","Jaspreet S. Dhau; Amritpal Singh; Avtar Singh; Balwinder S. Sooch; Paula Brandao; Vitor Felix","Synthesis, characterization and X-ray structure of 3,4-lutidinyl-, 3-/4-picolyl- and pyridylselenium compounds","Inorganica Chimica Acta","2012","392","","335","344","10.1016/j.ica.2012.03.043","","","0.71073","MoKα","","0.0326","0.0261","","","0.0585","0.0605","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512633","13.942","0.003","21.575","0.004","36.686","0.007","90","","94.56","0.03","90","","11000","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 N4 O2 Zn -","- C54 H42 N4 O2 Zn -","- C432 H336 N32 O16 Zn8 -","8","2","","Zihong Zhou; Wen Li; Xiang Hao; Carl Redshaw; Langqiu Chen; Wen-Hua Sun","6-Benzhydryl-4-methyl-2-(1H-benzoimidazol-2-yl)phenol ligands and their zinc complexes: Syntheses, characterization and photoluminescence behavior","Inorganica Chimica Acta","2012","392","","345","353","10.1016/j.ica.2012.03.057","","","0.71073","MoKα","","","0.089","","","0.2283","0.2484","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512634","16.626","0.003","10.26","0.002","28.932","0.006","90","","99.36","0.03","90","","4869.6","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 N4 O2 Zn -","- C60 H54 N4 O2 Zn -","- C240 H216 N16 O8 Zn4 -","4","0.5","","Zihong Zhou; Wen Li; Xiang Hao; Carl Redshaw; Langqiu Chen; Wen-Hua Sun","6-Benzhydryl-4-methyl-2-(1H-benzoimidazol-2-yl)phenol ligands and their zinc complexes: Syntheses, characterization and photoluminescence behavior","Inorganica Chimica Acta","2012","392","","345","353","10.1016/j.ica.2012.03.057","","","0.71073","MoKα","","","0.0955","","","0.2291","0.2544","","","","","","1.322","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512635","7.1654","0.0004","21.1128","0.0011","19.3163","0.001","90","","99.442","0.001","90","","2882.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Fe N3 O14.5 -","- C27 H21 Fe N3 O14.493 -","- C108 H84 Fe4 N12 O57.972 -","4","1","","Zohreh Derikvand; Andya Nemati; Ardeshir Shokrollahi; Fereshteh Zarghampour","Synthesis, characterization, spectroscopic, crystal structures and solution studies of two coordination compounds of zinc(II) and iron(III) based on chelidamic acid and acridine","Inorganica Chimica Acta","2012","392","","362","373","10.1016/j.ica.2012.03.034","","","0.71073","MoKα","","0.0913","0.0582","","","0.1175","0.1275","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512636","19.628","0.002","15.9366","0.0016","29.386","0.003","90","","108.987","0.002","90","","8691.9","1.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N4 O20 Zn -","- C40 H44.6 N4 O20 Zn -","- C320 H356.8 N32 O160 Zn8 -","8","1","","Zohreh Derikvand; Andya Nemati; Ardeshir Shokrollahi; Fereshteh Zarghampour","Synthesis, characterization, spectroscopic, crystal structures and solution studies of two coordination compounds of zinc(II) and iron(III) based on chelidamic acid and acridine","Inorganica Chimica Acta","2012","392","","362","373","10.1016/j.ica.2012.03.034","","","0.71073","MoKα","","0.133","0.0697","","","0.1335","0.1575","","","","","","1.292","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512637","9.0632","0.0012","11.003","0.0014","11.4379","0.0015","78.171","0.001","89.727","0.001","82.281","0.001","1106","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 Cu N6 S4 -","- C46 H48 Cu N6 S4 -","- C46 H48 Cu N6 S4 -","1","0.5","","Ya-Lan Hu; Li-Bo Liang; Le-Min Yang; Jin-Fang Liu; Wei-Qiang Chen; Jia-Rong Zhou; Xiao-Ping Liu; Chun-Lin Ni","Two new salts containing bis(maleonitriledithiolate)nickel(III)/copper(II) anion and substituted N,N'-dibenzylpiperidinium: Syntheses, crystal structures and magnetic properties","Inorganica Chimica Acta","2012","392","","410","416","10.1016/j.ica.2012.05.022","","","0.71073","MoKα","","0.0454","0.041","","","0.1053","0.1074","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512638","9.9685","0.0011","12.962","0.0015","13.3488","0.0015","62.467","0.001","82.296","0.001","67.523","0.001","1411.4","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N5 Ni S4 -","- C27 H24 N5 Ni S4 -","- C54 H48 N10 Ni2 S8 -","2","1","","Ya-Lan Hu; Li-Bo Liang; Le-Min Yang; Jin-Fang Liu; Wei-Qiang Chen; Jia-Rong Zhou; Xiao-Ping Liu; Chun-Lin Ni","Two new salts containing bis(maleonitriledithiolate)nickel(III)/copper(II) anion and substituted N,N'-dibenzylpiperidinium: Syntheses, crystal structures and magnetic properties","Inorganica Chimica Acta","2012","392","","410","416","10.1016/j.ica.2012.05.022","","","0.71073","MoKα","","0.0378","0.0298","","","0.0947","0.1001","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512639","8.1654","0.0011","10.1808","0.0014","14.741","0.002","109.26","0.002","97.079","0.002","99.826","0.002","1118.4","0.3","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H44 Cu2 Gd2 N6 O29 -","- C26 H44 Cu2 Gd2 N6 O29 -","- C26 H44 Cu2 Gd2 N6 O29 -","1","0.5","","Bao-Lin Liu; Qing-Xia Liu; A-Hui Li; Ruo-Jie Tao","A novel 2D oxalate- and dissymmetrical oxamidato-bridged heterometallic CuII-GdIII complex: Synthesis, crystal structure and magnetic properties","Inorganica Chimica Acta","2012","392","","1","4","10.1016/j.ica.2012.06.043","","","0.71073","MoKα","","0.0488","0.0375","","","0.0948","0.0994","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512640","20.9614","0.0003","20.9614","0.0003","16.1294","0.0005","90","","90","","90","","7086.9","0.3","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C63 H76 Co N4 Na O25 S4 -","- C44 H28 Co N4 Na O18 S4 -","- C176 H112 Co4 N16 Na4 O72 S16 -","4","0.25","","Sadhna Mathura; Alvaro S. de Sousa; Manuel A. Fernandes; Helder M. Marques","5,10,15,20-Tetra-p-phenylsulfonyporphinatocobalt(III), a water-soluble Co(III) porphyrin","Inorganica Chimica Acta","2012","392","","108","111","10.1016/j.ica.2012.05.021","","","0.71073","MoKα","","0.086","0.0661","","","0.185","0.1955","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512641","13.2281","0.0007","11.6337","0.0006","11.1937","0.0006","90","","101.197","0.001","90","","1689.83","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Fe2 O6 S2 -","- C14 H6 Fe2 O6 S2 -","- C56 H24 Fe8 O24 S8 -","4","1","","Xiufeng Wang; Zhenhong Wei; Xiujuan Jiang; Jia Zhao; Xiaoming Liu","Synthesis and characterisation of hexacarbonyl 2-phenylethene-1, 1-dithiolatodiiron","Inorganica Chimica Acta","2012","392","","112","117","10.1016/j.ica.2012.06.042","","","0.71073","MoKα","","0.0368","0.0288","","","0.0764","0.0831","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512642","8.4251","0.0007","7.9458","0.0007","10.8479","0.0009","90","","95.498","0.002","90","","722.86","0.11","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cd N10 O2 -","- C12 H12 Cd N10 O2 -","- C24 H24 Cd2 N20 O4 -","2","0.5","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0697","0.0676","","","0.1271","0.1281","","","","","","1.369","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512643","12.6376","0.0007","15.9206","0.0009","7.5603","0.0004","90","","90","","90","","1521.12","0.14","98","2","98","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H12 Co N10 O2 -","- C12 H12 Co N10 O2 -","- C48 H48 Co4 N40 O8 -","4","","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0231","0.0226","","","0.0638","0.0641","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512644","8.2773","0.0007","15.4031","0.0014","12.5645","0.0011","90","","90","","90","","1601.9","0.2","98","2","98","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C12 H12 Cu N10 O2 -","- C12 H8 Cu N10 O2 -","- C48 H32 Cu4 N40 O8 -","4","","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0888","0.0837","","","0.2069","0.2095","","","","","","1.184","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512645","6.92","0.0005","9.7325","0.0007","10.3635","0.0008","79.491","0.001","86.492","0.001","75.524","0.001","664.39","0.09","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H11 Cd Cl N6 O -","- C9 H11 Cd Cl N6 O -","- C18 H22 Cd2 Cl2 N12 O2 -","2","1","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0366","0.0352","","","0.0936","0.0946","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512646","8.3734","0.0006","18.0404","0.0013","13.7622","0.001","90","","95.546","0.001","90","","2069.2","0.3","98","2","98","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H34 Cd4 Cl6 N16 O4 -","- C22 H34 Cd4 Cl6 N16 O4 -","- C44 H68 Cd8 Cl12 N32 O8 -","2","1","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0721","0.0627","","","0.1543","0.1613","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512647","7.8449","0.001","12.6638","0.0016","24.194","0.003","90","","90","","90","","2403.6","0.5","98","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd1.5 N11 O -","- C6 H6 Cd1.5 N11 O -","- C48 H48 Cd12 N88 O8 -","8","1","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0174","0.0155","","","0.0407","0.0419","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512648","4.9593","0.0003","5.8203","0.0005","12.9937","0.0007","84.979","0.004","86.753","0.005","84.647","0.006","371.54","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N2 O2 S -","- C6 H6 N2 O2 S -","- C12 H12 N4 O4 S2 -","2","1","","Kusai Alomar; Vincent Gaumet; Magali Allain; Pascal Richomme; Gilles Bouet","Complexes of thiophene-2,3-dicarboxaldehyde bis(oxime) (2,3BTCOH2) with nickel(II) and copper(II): Synthesis, characterization, crystal structure of 2,3BTCOH2. Rearrangement reaction with nickel(II) bromide","Inorganica Chimica Acta","2012","392","","433","439","10.1016/j.ica.2012.05.029","","x-ray","0.71073","MoKα","","","0.0534","","","","0.1316","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512649","24.1796","0.0007","4.2236","0.0001","15.7219","0.0004","90","","114.109","0.002","90","","1465.54","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(1E,1'Z)-2-((Z)-(hydroxyimino)methyl)thiophene-3-carbaldehyde oxime","(1E,1'Z)-2-((Z)-(hydroxyimino)methyl)thiophene-3-carbaldehyde oxime","","- C6 H6 N2 O2 S -","- C6 H6 N2 O2 S -","- C48 H48 N16 O16 S8 -","8","1","","Kusai Alomar; Vincent Gaumet; Magali Allain; Pascal Richomme; Gilles Bouet","Complexes of thiophene-2,3-dicarboxaldehyde bis(oxime) (2,3BTCOH2) with nickel(II) and copper(II): Synthesis, characterization, crystal structure of 2,3BTCOH2. Rearrangement reaction with nickel(II) bromide","Inorganica Chimica Acta","2012","392","","433","439","10.1016/j.ica.2012.05.029","","","0.71073","MoKα","","0.0765","0.0576","","","0.1808","0.213","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512650","10.168","0.002","31.431","0.006","11.1","0.002","90","","105.05","0.03","90","","3425.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34.6 Cu N5 O9.8 -","- C38 H34.6 Cu N5 O9.8 -","- C152 H138.4 Cu4 N20 O39.2 -","4","1","","De-Yun Ma","Observation of a water-anion tape constructed from unusual trimeric and tetrameric water clusters embedded in a copper(II) complex","Inorganica Chimica Acta","2012","392","","440","445","10.1016/j.ica.2012.05.023","","","0.71073","MoKα","","0.1344","0.1007","","","0.1797","0.1905","","","","","","1.135","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512651","9.014","0.002","22.338","0.005","15.946","0.004","90","","97.45","0.004","90","","3183.7","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 N4 O6 Sm -","- C21 H11 F18 N4 O6 Sm -","- C84 H44 F72 N16 O24 Sm4 -","4","1","","Zubair Ahmed; Wakeel Ahmed Dar; K. Iftikhar","Synthesis and luminescence study of a highly volatile Sm(III) complex","Inorganica Chimica Acta","2012","392","","446","453","10.1016/j.ica.2012.05.025","","","0.71073","MoKα","","0.0624","0.0604","","","0.1395","0.1406","","","","","","1.257","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512652","13.5571","0.0004","12.6809","0.0004","23.5668","0.0007","90","","92.739","0.001","90","","4046.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 N12 O12 Y2 -","- C84 H90 N12 O12 Y2 -","- C168 H180 N24 O24 Y4 -","2","0.5","","Anastasia V. Safronova; Leonid N. Bochkarev; Irina P. Malysheva; Evgenii V. Baranov","Facile synthesis of rare-earth pyrazolonates by the reaction of rare-earth metals with 1-phenyl-3-methyl-4-isobutyryl-5-pyrazolone. Crystal structures of [Ln(PMIP)3]2 (Ln = Y, Gd, Tb, Er, Tm)","Inorganica Chimica Acta","2012","392","","454","458","10.1016/j.ica.2012.03.032","","","0.71073","MoKα","","0.0812","0.0486","","","0.1098","0.1194","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512653","13.629","0.0011","12.6321","0.001","23.64","0.002","90","","93.724","0.002","90","","4061.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 Gd2 N12 O12 -","- C84 H90 Gd2 N12 O12 -","- C168 H180 Gd4 N24 O24 -","2","0.5","","Anastasia V. Safronova; Leonid N. Bochkarev; Irina P. Malysheva; Evgenii V. Baranov","Facile synthesis of rare-earth pyrazolonates by the reaction of rare-earth metals with 1-phenyl-3-methyl-4-isobutyryl-5-pyrazolone. Crystal structures of [Ln(PMIP)3]2 (Ln = Y, Gd, Tb, Er, Tm)","Inorganica Chimica Acta","2012","392","","454","458","10.1016/j.ica.2012.03.032","","","0.71073","MoKα","","0.0562","0.0462","","","0.1188","0.1263","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512654","13.5944","0.0004","12.5904","0.0003","23.5775","0.0006","90","","93.577","0.001","90","","4027.64","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 N12 O12 Tb2 -","- C84 H90 N12 O12 Tb2 -","- C168 H180 N24 O24 Tb4 -","2","0.5","","Anastasia V. Safronova; Leonid N. Bochkarev; Irina P. Malysheva; Evgenii V. Baranov","Facile synthesis of rare-earth pyrazolonates by the reaction of rare-earth metals with 1-phenyl-3-methyl-4-isobutyryl-5-pyrazolone. Crystal structures of [Ln(PMIP)3]2 (Ln = Y, Gd, Tb, Er, Tm)","Inorganica Chimica Acta","2012","392","","454","458","10.1016/j.ica.2012.03.032","","","0.71073","MoKα","","0.0336","0.0256","","","0.0622","0.0649","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512655","13.4993","0.0011","12.6666","0.0011","23.5158","0.0019","90","","92.607","0.002","90","","4016.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 Er2 N12 O12 -","- C84 H90 Er2 N12 O12 -","- C168 H180 Er4 N24 O24 -","2","0.5","","Anastasia V. Safronova; Leonid N. Bochkarev; Irina P. Malysheva; Evgenii V. Baranov","Facile synthesis of rare-earth pyrazolonates by the reaction of rare-earth metals with 1-phenyl-3-methyl-4-isobutyryl-5-pyrazolone. Crystal structures of [Ln(PMIP)3]2 (Ln = Y, Gd, Tb, Er, Tm)","Inorganica Chimica Acta","2012","392","","454","458","10.1016/j.ica.2012.03.032","","","0.71073","MoKα","","0.1185","0.0554","","","0.0775","0.0872","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512656","13.5442","0.0006","12.5911","0.0006","23.4924","0.0011","90","","92.753","0.001","90","","4001.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 N12 O12 Tm2 -","- C84 H90 N12 O12 Tm2 -","- C168 H180 N24 O24 Tm4 -","2","0.5","","Anastasia V. Safronova; Leonid N. Bochkarev; Irina P. Malysheva; Evgenii V. Baranov","Facile synthesis of rare-earth pyrazolonates by the reaction of rare-earth metals with 1-phenyl-3-methyl-4-isobutyryl-5-pyrazolone. Crystal structures of [Ln(PMIP)3]2 (Ln = Y, Gd, Tb, Er, Tm)","Inorganica Chimica Acta","2012","392","","454","458","10.1016/j.ica.2012.03.032","","","0.71073","MoKα","","0.0642","0.0408","","","0.0899","0.0965","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512657","12.01","0.004","5.795","0.002","12.677","0.004","90","","90","","90","","882.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B2 Cd O5 Sr -","- B2 Cd O5 Sr -","- B16 Cd8 O40 Sr8 -","8","1","","Jian Cao; Junyu Gao; Shilie Pan; Hongwei Yu; Wenwu Zhao; Zhihua Yang","Synthesis, crystal structure and properties of a new strontium cadmium diborate","Inorganica Chimica Acta","2012","392","","459","464","10.1016/j.ica.2012.03.012","","","0.71073","MoKα","","0.03","0.0256","","","0.0727","0.0758","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512658","13.424","0.002","22.054","0.004","47.809","0.008","90","","90","","90","","14154","4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H33 Cl2 Cu N10 O8.5 -","- C30 H33 Cl2 Cu N10 O8.5 -","- C480 H528 Cl32 Cu16 N160 O136 -","16","2","","Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang","A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions","Inorganica Chimica Acta","2012","392","","465","468","10.1016/j.ica.2012.03.052","","","0.71073","MoKα","","0.1401","0.0604","","","0.1631","0.1861","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512659","28.604","0.01","16.487","0.006","12.638","0.005","90","","90","","90","","5960","4","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H22 Cl2 Cu N6 O8 -","- C29 H22 Cl2 Cu N6 O8 -","- C232 H176 Cl16 Cu8 N48 O64 -","8","1","","Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang","A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions","Inorganica Chimica Acta","2012","392","","465","468","10.1016/j.ica.2012.03.052","","","0.71073","MoKα","","0.205","0.0699","","","0.0893","0.1069","","","","","","0.819","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512660","46.466","0.006","16.21","0.002","12.543","0.0017","90","","90","","90","","9448","2","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H68 Cl6 Cu3 N18 O24 -","- C94 H68 Cl6 Cu3 N18 O24 -","- C376 H272 Cl24 Cu12 N72 O96 -","4","0.5","","Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang","A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions","Inorganica Chimica Acta","2012","392","","465","468","10.1016/j.ica.2012.03.052","","","0.71073","MoKα","","0.1574","0.0688","","","0.1703","0.1956","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512661","10.0958","0.0006","13.3245","0.0008","13.5004","0.0008","96.922","0.001","106.486","0.001","90.396","0.001","1727.13","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Cu4 Mn2 N12 O22 -","- C66 H76 Cu4 Mn2 N12 O22 -","- C66 H76 Cu4 Mn2 N12 O22 -","1","0.5","","Bao-Lin Liu; Yan-Xia Wang; Fan-Hong Kong; Ruo-Jie Tao","A novel heterohexanuclear Schiff base complex: Synthesis, structure and magnetic properties","Inorganica Chimica Acta","2012","392","","469","472","10.1016/j.ica.2012.03.049","","","0.71073","MoKα","","0.0454","0.0393","","","0.1003","0.1039","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512662","13.798","0.004","13.798","0.004","14.119","0.006","90","","90","","90","","2688","1.6","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C8 H16 Cl Cu N3 O5 -","- C8 H16 Cl Cu N3 O5 -","- C64 H128 Cl8 Cu8 N24 O40 -","8","1","","Haribabu Pagonda; P. Patil Yogesh; Hussain Reddy Katreddi; Nethaji Munirathinam","Novel tetranuclear distorted open-cubane copper complex containing oximate bridges: Synthesis, crystal structure, DNA binding and cleavage activity","Inorganica Chimica Acta","2012","392","","478","484","10.1016/j.ica.2012.03.042","","","0.71073","MoKα","","0.0652","0.0415","","","0.1042","0.1291","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512663","11.6658","0.0011","13.7602","0.0012","13.7673","0.0012","60.0511","0.0012","88.9275","0.0012","70.2585","0.0013","1771.6","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H96 Br2 Mo6 O40 -","- C41 H96 Br2 Mo6 O40 -","- C41 H96 Br2 Mo6 O40 -","1","0.5","","Kris A. Pineda; James C. Fettinger; Jacqueline R. Houston","A new aqueous molybdenum cluster with a Mo~3~(u~3~-CCH~3~)(μ~3~-O) trinuclear core","Inorganica Chimica Acta","2012","392","","485","489","10.1016/j.ica.2012.03.037","","","0.71073","MoKα","","0.0334","0.0243","","","0.0512","0.0555","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512664","10.836","0.004","21.63","0.008","23.468","0.008","90","","90","","90","","5500","3","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Br Cl N2 P -","- C32 H27 Br Cl N2 P -","- C256 H216 Br8 Cl8 N16 P8 -","8","1","","Ian Mallov; Heather Spinney; Titel Jurca; Serge Gorelsky; Tara Burchell; Darrin Richeson","The 2,2'-diindolylmethane dianion supporting scaffold for group 15 compounds","Inorganica Chimica Acta","2012","392","","5","9","10.1016/j.ica.2012.06.019","","","0.71073","MoKα","","0.1001","0.056","","","0.1224","0.138","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512665","13.128","0.006","13.514","0.006","31.156","0.015","90","","94.111","0.006","90","","5513","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H47 Cl6 O2 P3 Ru2 -","- C57 H47 Cl6 O2 P3 Ru2 -","- C228 H188 Cl24 O8 P12 Ru8 -","4","1","","Ai-Quan Jia; Qing Ma; Hua-Tian Shi; Qun Chen; Wa-Hung Leung; Qian-Feng Zhang","Mutual transformation between mono- and binuclear ruthenium complexes and their reactions with iminobis(diisopropylphosphinesulfide) ligand","Inorganica Chimica Acta","2012","392","","99","102","10.1016/j.ica.2012.05.036","","","0.71073","MoKα","","0.0544","0.036","","","0.1064","0.1239","","","","","","0.829","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512666","10.702","0.005","12.794","0.006","13.706","0.007","67.643","0.005","76.842","0.006","80.962","0.006","1684.8","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cl2 O2 P2 Ru -","- C38 H34 Cl2 O2 P2 Ru -","- C76 H68 Cl4 O4 P4 Ru2 -","2","1","","Ai-Quan Jia; Qing Ma; Hua-Tian Shi; Qun Chen; Wa-Hung Leung; Qian-Feng Zhang","Mutual transformation between mono- and binuclear ruthenium complexes and their reactions with iminobis(diisopropylphosphinesulfide) ligand","Inorganica Chimica Acta","2012","392","","99","102","10.1016/j.ica.2012.05.036","","","0.71073","MoKα","","0.0642","0.0444","","","0.1199","0.1453","","","","","","0.898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512667","10.757","0.006","14.895","0.008","18.091","0.01","90.705","0.006","100.433","0.006","92.931","0.005","2846","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H60 Cl5 N O2 P4 Ru2 S2 -","- C51 H60 Cl5 N O2 P4 Ru2 S2 -","- C102 H120 Cl10 N2 O4 P8 Ru4 S4 -","2","1","","Ai-Quan Jia; Qing Ma; Hua-Tian Shi; Qun Chen; Wa-Hung Leung; Qian-Feng Zhang","Mutual transformation between mono- and binuclear ruthenium complexes and their reactions with iminobis(diisopropylphosphinesulfide) ligand","Inorganica Chimica Acta","2012","392","","99","102","10.1016/j.ica.2012.05.036","","","0.71073","MoKα","","0.0353","0.0288","","","0.0741","0.0832","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512670","12.6642","0.0011","7.3361","0.0007","13.6712","0.0012","90","","108.313","0.001","90","","1205.81","0.19","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O6 Pt -","- C8 H13 N3 O6 Pt -","- C32 H52 N12 O24 Pt4 -","4","1","","Di Liu; Jialiu Ma; Wen Zhou; Weijiang He; Zijian Guo","Synthesis and photoactivity of a Pt(II) complex based on an o-nitrobenzyl-derived ligand","Inorganica Chimica Acta","2012","393","","198","203","10.1016/j.ica.2012.06.047","","","0.71073","MoKα","","0.0496","0.0308","","","0.0751","0.0835","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512671","11.2106","0.00019","11.7159","0.0002","12.4503","0.0003","100.786","0.0018","100.151","0.0016","114.535","0.0019","1401.07","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H25 F12 N3 P2 Ru S3 -","- C21 H25 F12 N3 P2 Ru S3 -","- C42 H50 F24 N6 P4 Ru2 S6 -","2","1","","Giulio Ragazzon; Ioannis Bratsos; Enzo Alessio; Luca Salassa; Abraha Habtemariam; Ruth J. McQuitty; Guy J. Clarkson; Peter J. Sadler","Design of photoactivatable metallodrugs: Selective and rapid light-induced ligand dissociation from half-sandwich [Ru([9]aneS3)(N-N')(py)]2+ complexes","Inorganica Chimica Acta","2012","393","","230","238","10.1016/j.ica.2012.06.031","","","0.71073","MoKα","","0.0227","0.0211","","","0.049","0.0498","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512672","8.876","0.0002","9.0154","0.0002","10.4403","0.0003","91.625","0.001","107.003","0.001","92.203","0.001","797.65","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cl2 N4 O4 Ru -","- C32 H36 Cl2 N4 O4 Ru -","- C32 H36 Cl2 N4 O4 Ru -","1","0.5","","Sudeshna Roy; Palanisamy Uma Maheswari; Amalija Golobic; Bojan Kozlevcar; Jan Reedijk","Synthesis, crystal structure and biological studies of the highly anticancer active compound trans-dichloridobis(4-methyl-2-N-(2-pyridylmethylene)- aminophenol)ruthenium(II)","Inorganica Chimica Acta","2012","393","","239","245","10.1016/j.ica.2012.07.023","","","0.71073","MoKα","","0.0286","0.0258","","","0.0687","0.0704","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512673","7.439","0.0006","15.6393","0.0014","21.2178","0.0018","90","","99.794","0.005","90","","2432.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Chloro-5,11-dihydroindolo[3,2-c]quinolin-6-ylidene)-N'-(1-pyridin-2-yl -ethylidene)azine diethanol solvate","","- C26 H28 Cl N5 O2 -","- C26 H28 Cl N5 O2 -","- C104 H112 Cl4 N20 O8 -","4","1","","Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion","Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity","Inorganica Chimica Acta","2012","393","","252","260","10.1016/j.ica.2012.06.004","","","0.71073","MoKα","","0.066","0.0465","","","0.1156","0.1284","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512674","11.4565","0.0007","13.1693","0.0007","13.362","0.0008","90","","95.346","0.003","90","","2007.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-Methyl-5,11-dihydroindolo[3,2-c]quinolin-6-ylidene)-N'-(1-pyridin-2- yl-ethylidene)azine methanol solvate","","- C24 H23 N5 O -","- C24 H23 N5 O -","- C96 H92 N20 O4 -","4","1","","Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion","Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity","Inorganica Chimica Acta","2012","393","","252","260","10.1016/j.ica.2012.06.004","","","0.71073","MoKα","","0.0835","0.0527","","","0.125","0.1427","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512675","9.3254","0.0005","13.5216","0.0008","13.5306","0.0008","67.646","0.004","89.989","0.004","85.886","0.003","1573.17","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","{(hapto^6^-p-Cymene)[N-(8-bromo-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)-kappaN'-(1-kappaN-pyridin-2-yl-ethylidene)]azine chloridoruthenium(II)}chloride monomethanol solvate","","- C33 H34 Br Cl2 N5 O Ru -","- C33 H34 Br Cl2 N5 O Ru -","- C66 H68 Br2 Cl4 N10 O2 Ru2 -","2","1","","Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion","Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity","Inorganica Chimica Acta","2012","393","","252","260","10.1016/j.ica.2012.06.004","","","0.71073","MoKα","","0.0592","0.0368","","","0.086","0.0969","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512676","12.3508","0.0004","13.3564","0.0005","20.584","0.0008","98.018","0.002","95.312","0.002","112.859","0.003","3058","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{(hapto^6^-p-Cymene)[N-(8-bromo-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)-kappaN'-(1-kappaN-pyridin-2-yl-ethylidene)]azine chloridoosmium(II)}chloride hydrate","","- C32 H31.5 Br Cl2 N5 O0.75 Os -","- C32 H31.5 Br Cl2 N5 O0.75 Os -","- C128 H126 Br4 Cl8 N20 O3 Os4 -","4","2","","Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion","Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity","Inorganica Chimica Acta","2012","393","","252","260","10.1016/j.ica.2012.06.004","","","0.71073","MoKα","","0.0287","0.0208","","","0.0482","0.0506","","","","","","1.018","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512677","11.298","0.0009","14.494","0.0012","21.3506","0.0018","99.901","0.005","92.072","0.004","98.838","0.005","3396.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","{(hapto^6^-p-Cymene)[N-(8-methyl-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)-kappaN'-(1-kappaN-pyridin-2-yl-ethylidene)]azine chloridoosmium(II)}chloride hydrate diethyl ether solvate","","- C34 H38.25 Cl2 N5 O1.63 Os -","- C34 H36.5 Cl2 N5 O1.625 Os -","- C136 H146 Cl8 N20 O6.5 Os4 -","4","2","","Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion","Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity","Inorganica Chimica Acta","2012","393","","252","260","10.1016/j.ica.2012.06.004","","","0.71073","MoKα","","0.0551","0.0386","","","0.0933","0.0988","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512678","17.0279","0.0016","11.1855","0.0011","12.0305","0.0011","90","","129.439","0.004","90","","1769.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-(8-Methyl-5,11-dihydroindolo[3,2-c]quinolin-6-ylidene)-N'- (1-pyridin-2-yl-ethylidene)azine","","- C23 H19 N5 -","- C23 H19 N5 -","- C92 H76 N20 -","4","1","","Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion","Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity","Inorganica Chimica Acta","2012","393","","252","260","10.1016/j.ica.2012.06.004","","","0.71073","MoKα","","0.066","0.0551","","","0.1465","0.161","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512679","8.704","0.003","13.004","0.005","14.806","0.004","70.487","0.011","77.924","0.008","85.695","0.015","1544.6","0.9","110","","110","","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(3-(2-hydroxyphenyl)-5-(2-((4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)benzyl)oxy)phenyl)-1H-1,2,4-triazol-1-yl)benzoate","","- C35 H34 B N3 O6 -","- C35 H34 B N3 O6 -","- C70 H68 B2 N6 O12 -","2","1","","Filip Kielar; Qin Wang; Paul D. Boyle; Katherine J. Franz","A boronate prochelator built on a triazole framework for peroxide-triggered tridentate metal binding","Inorganica Chimica Acta","2012","393","","294","303","10.1016/j.ica.2012.06.011","","","0.71073","MoKα","","0.1065","0.0552","","","0.1328","0.1532","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512680","15.0967","0.0005","15.7021","0.0005","16.8468","0.0006","90","","90","","90","","3993.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cl Cu N3 O5 -","- C16 H26 Cl Cu N3 O5 -","- C128 H208 Cl8 Cu8 N24 O40 -","8","1","","Hamid Golchoubian; Ehsan Rezaee; Giuseppeh Bruno; Hadi Amiri Rudbari","Syntheses of mixed chelate copper(II) complexes containing beta-ketoaminato and diamine ligands: Solvatochromism study","Inorganica Chimica Acta","2012","393","","1","9","10.1016/j.ica.2012.07.022","","","0.71073","MoKα","","0.0404","0.0331","","","0.0892","0.1061","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512681","9.9333","0.0015","18.736","0.003","16.693","0.003","90","","101.288","0.002","90","","3046.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Li6 N3 O14 -","- C25 H15 Li6 N3 O14 -","- C100 H60 Li24 N12 O56 -","4","1","","Lei Gou; Hong-Xia Zhang; Xiao-Yong Fan; Dong-Lin Li","Lithium based coordination polymer as anode for Li-ion battery","Inorganica Chimica Acta","2012","393","","10","14","","","","0.71073","MoKα","","0.1203","0.0606","","","0.1511","0.1868","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512682","53.737","0.004","5.797","0.0006","13.689","0.0014","90","","102.697","0.003","90","","4160","0.7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40.69 Cu N10 O6.35 -","- C48 H40.696 Cu N10 O6.348 -","- C192 H162.784 Cu4 N40 O25.392 -","4","0.5","","Chun-Yong Xing; Qi-Wu Yang; Jing-Ze Wang; Hai-Bin Song; Wen-Qin Zhang","Crystal structure and theoretical computation study on a self-inclusion layered discrete CuII and PPz complex","Inorganica Chimica Acta","2012","393","","31","35","","","","0.71075","MoKα","","0.0671","0.0505","","","0.1446","0.1527","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512683","8.9408","0.0012","10.8955","0.0015","16.165","0.002","90","","92.645","0.002","90","","1573","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Hg2 N8 S4 -","- C30 H22 Hg2 N8 S4 -","- C60 H44 Hg4 N16 S8 -","2","0.5","","Ali Akbar Khandar; Veysel Turan Yilmaz; Ferdinando Costantino; Sedat Gumus; Seyed Abolfazl Hosseini-Yazdi; Ghodrat Mahmoudi","Syntheses, studies and crystal structures of coordination polymers and dinuclear complexes of mercury(II) halides and thiocyanate with a symmetrical Schiff base ligand","Inorganica Chimica Acta","2012","393","","36","44","10.1016/j.ica.2012.06.007","","","0.71073","MoKα","","0.0323","0.0243","","","0.0487","0.0516","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512684","10.7152","0.0013","9.7243","0.0012","13.9104","0.0018","90","","110.506","0.002","90","","1357.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 Hg N2 -","- C13 H11 Cl2 Hg N2 -","- C52 H44 Cl8 Hg4 N8 -","4","1","","Ali Akbar Khandar; Veysel Turan Yilmaz; Ferdinando Costantino; Sedat Gumus; Seyed Abolfazl Hosseini-Yazdi; Ghodrat Mahmoudi","Syntheses, studies and crystal structures of coordination polymers and dinuclear complexes of mercury(II) halides and thiocyanate with a symmetrical Schiff base ligand","Inorganica Chimica Acta","2012","393","","36","44","10.1016/j.ica.2012.06.007","","","0.71073","MoKα","","0.029","0.024","","","0.0549","0.0569","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512685","10.4135","0.0018","11.274","0.002","13.233","0.002","72.741","0.002","74.953","0.002","72.897","0.002","1392.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br4 Hg2 N4 -","- C26 H22 Br4 Hg2 N4 -","- C52 H44 Br8 Hg4 N8 -","2","1","","Ali Akbar Khandar; Veysel Turan Yilmaz; Ferdinando Costantino; Sedat Gumus; Seyed Abolfazl Hosseini-Yazdi; Ghodrat Mahmoudi","Syntheses, studies and crystal structures of coordination polymers and dinuclear complexes of mercury(II) halides and thiocyanate with a symmetrical Schiff base ligand","Inorganica Chimica Acta","2012","393","","36","44","10.1016/j.ica.2012.06.007","","","0.71073","MoKα","","0.0387","0.0324","","","0.0787","0.0813","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512686","11.32","0.007","8.786","0.006","16.418","0.011","90","","106.64","0.012","90","","1564.5","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Hg2 I4 N4 -","- C26 H22 Hg2 I4 N4 -","- C52 H44 Hg4 I8 N8 -","2","0.5","","Ali Akbar Khandar; Veysel Turan Yilmaz; Ferdinando Costantino; Sedat Gumus; Seyed Abolfazl Hosseini-Yazdi; Ghodrat Mahmoudi","Syntheses, studies and crystal structures of coordination polymers and dinuclear complexes of mercury(II) halides and thiocyanate with a symmetrical Schiff base ligand","Inorganica Chimica Acta","2012","393","","36","44","10.1016/j.ica.2012.06.007","","","0.71073","MoKα","","0.0327","0.0266","","","0.0574","0.06","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512687","12.792","0.003","15.362","0.003","19.214","0.004","90","","108.496","0.003","90","","3580.7","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H29 Ag N4 O10 S -","- C40 H29 Ag N4 O10 S -","- C160 H116 Ag4 N16 O40 S4 -","4","0.5","","Guo-Ping Yang; Rui-Ting Liu; Chen Ren; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi","Silver(I)/cobalt(II) complexes with mixed V-shaped polycarboxylate and rod-like N-donor ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","393","","58","64","","","","0.71073","MoKα","","0.0485","0.0345","","","0.0842","0.094","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512688","27.108","0.003","8.9609","0.001","25.047","0.003","90","","102.43","0.002","90","","5941.6","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 Ag2 N2 O12 S -","- C29 H26 Ag2 N2 O12 S -","- C232 H208 Ag16 N16 O96 S8 -","8","1","","Guo-Ping Yang; Rui-Ting Liu; Chen Ren; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi","Silver(I)/cobalt(II) complexes with mixed V-shaped polycarboxylate and rod-like N-donor ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","393","","58","64","","","","0.71073","MoKα","","0.1072","0.0577","","","0.1522","0.1829","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512689","17.335","0.005","26.819","0.007","9.015","0.002","90","","90","","90","","4191.1","1.9","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H30 Co2 N4 O14 S -","- C40 H30 Co2 N4 O14 S -","- C160 H120 Co8 N16 O56 S4 -","4","","","Guo-Ping Yang; Rui-Ting Liu; Chen Ren; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi","Silver(I)/cobalt(II) complexes with mixed V-shaped polycarboxylate and rod-like N-donor ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","393","","58","64","","","","0.71073","MoKα","","0.1423","0.1175","","","0.32","0.3482","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512690","11.3454","0.0018","13.476","0.002","13.524","0.002","67.947","0.002","84.063","0.002","76.911","0.002","1866.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H60 Co4 N6 O33 S2 -","- C68 H60 Co4 N6 O33 S2 -","- C68 H60 Co4 N6 O33 S2 -","1","0.5","","Guo-Ping Yang; Rui-Ting Liu; Chen Ren; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi","Silver(I)/cobalt(II) complexes with mixed V-shaped polycarboxylate and rod-like N-donor ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","393","","58","64","","","","0.71073","MoKα","","0.0785","0.0536","","","0.1407","0.1577","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512691","10.1","0.004","18.415","0.005","18.323","0.005","90","","90.03","0.02","90","","3407.9","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O5.5 Pt -","- C13 H15 N2 O5.5 Pt -","- C104 H120 N16 O44 Pt8 -","8","2","","Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno","DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand)","Inorganica Chimica Acta","2012","393","","65","76","","","","0.71073","MoKα","","0.0665","0.0584","","","0.1709","0.1793","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512692","13.644","0.008","10.655","0.006","13.434","0.01","90","","110.03","0.04","90","","1835","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 Pt -","- C18 H20 N2 O6 Pt -","- C72 H80 N8 O24 Pt4 -","4","1","","Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno","DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand)","Inorganica Chimica Acta","2012","393","","65","76","","","","0.71073","MoKα","","0.0581","0.0578","","","0.1186","0.1187","","","","","","1.21","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512693","7.27","0.003","12.841","0.006","7.602","0.005","90","","121.52","0.02","90","","605","0.6","105","2","105","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H14 N2 O4 Pt -","- C10 H14 N2 O4 Pt -","- C20 H28 N4 O8 Pt2 -","2","1","","Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno","DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand)","Inorganica Chimica Acta","2012","393","","65","76","","","","0.71073","MoKα","","0.0395","0.0394","","","0.0987","0.0989","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512694","20.459","0.007","10.684","0.005","20.362","0.007","90","","90","","90","","4451","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H56 N4 O14 Pt2 -","- C40 H52 N4 O14 Pt2 -","- C160 H208 N16 O56 Pt8 -","4","0.5","","Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno","DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand)","Inorganica Chimica Acta","2012","393","","65","76","","","","0.71073","MoKα","","0.0694","0.0524","","","0.1631","0.1783","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512695","7.0872","0.0004","7.8015","0.0005","9.473","0.0006","106.659","0.003","99.131","0.003","115.376","0.003","428.72","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl2 N4 Pd -","- C18 H16 Cl2 N4 Pd -","- C18 H16 Cl2 N4 Pd -","1","0.5","","Manoj Trivedi; Gurmeet Singh; R. Nagarajan; Nigam P. Rath","Imidazole containing palladium(II) complexes as efficient pre-catalyst systems for Heck and Suzuki coupling reaction: Synthesis, structural characterization and catalytic properties","Inorganica Chimica Acta","2012","393","","107","116","","","","0.71073","MoKα","","0.0232","0.0221","","","0.0478","0.0483","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512696","7.1661","0.0003","7.9158","0.0004","9.5294","0.0004","106.744","0.004","98.84","0.004","115.135","0.004","444.23","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(1-phenylimidazole) Palladium(II)","","- C18 H16 Cl2 N4 Pd -","- C18 H16 Cl2 N4 Pd -","- C18 H16 Cl2 N4 Pd -","1","0.5","","Manoj Trivedi; Gurmeet Singh; R. Nagarajan; Nigam P. Rath","Imidazole containing palladium(II) complexes as efficient pre-catalyst systems for Heck and Suzuki coupling reaction: Synthesis, structural characterization and catalytic properties","Inorganica Chimica Acta","2012","393","","107","116","","","","0.71073","MoKα","","0.0316","0.0312","","","0.0817","0.0824","","","","","","0.775","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512697","11.1921","0.0003","12.3378","0.0003","7.7358","0.0002","90","","91.103","0.002","90","","1068.01","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromobis(4-methoxyimidazole)Palladium(II)","","- C20 H20 Br2 N4 O2 Pd -","- C20 H20 Br2 N4 O2 Pd -","- C40 H40 Br4 N8 O4 Pd2 -","2","0.5","","Manoj Trivedi; Gurmeet Singh; R. Nagarajan; Nigam P. Rath","Imidazole containing palladium(II) complexes as efficient pre-catalyst systems for Heck and Suzuki coupling reaction: Synthesis, structural characterization and catalytic properties","Inorganica Chimica Acta","2012","393","","107","116","","","","0.71073","MoKα","","0.0609","0.0518","","","0.1705","0.1757","","","","","","1.121","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512698","15.13","0.03","13.94","0.02","10.342","0.018","90","","103.61","0.02","90","","2120","6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H17 N3 O6.5 S Zn -","- C18.5 H15 N3 O6.5 S Zn -","- C74 H60 N12 O26 S4 Zn4 -","4","1","","Jing-Si Yang; Jiang Zhu; Rui-Bin Liu; Jun Ni; Zhi-Duo Chang; Tao Hu; Jian-Jun Zhang; Chang-Gong Meng","Syntheses and characterization of four 2D metal-organic networks based on rigid imidazolate/carboxylate functionalized ligand - Effect of the torsion of the ligands on crystal structures and properties","Inorganica Chimica Acta","2012","393","","117","126","","","","0.71073","MoKα","","0.1744","0.0807","","","0.1699","0.1966","","","","","","0.993","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512699","14.6012","0.0019","7.7214","0.001","22.842","0.003","90","","95.446","0.002","90","","2563.6","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23.2 H23.6 Cd N4.8 O6 -","- C23.2 H23.2 Cd N4.8 O6 -","- C92.8 H92.8 Cd4 N19.2 O24 -","4","1","","Jing-Si Yang; Jiang Zhu; Rui-Bin Liu; Jun Ni; Zhi-Duo Chang; Tao Hu; Jian-Jun Zhang; Chang-Gong Meng","Syntheses and characterization of four 2D metal-organic networks based on rigid imidazolate/carboxylate functionalized ligand - Effect of the torsion of the ligands on crystal structures and properties","Inorganica Chimica Acta","2012","393","","117","126","","","","0.71073","MoKα","","0.0524","0.0391","","","0.1037","0.1124","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512700","11.7035","0.0006","8.6041","0.0005","23.7693","0.0011","90","","91.709","0.004","90","","2392.5","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cu N4 O6 S -","- C22 H22 Cu N4 O6 S -","- C88 H88 Cu4 N16 O24 S4 -","4","1","","Jing-Si Yang; Jiang Zhu; Rui-Bin Liu; Jun Ni; Zhi-Duo Chang; Tao Hu; Jian-Jun Zhang; Chang-Gong Meng","Syntheses and characterization of four 2D metal-organic networks based on rigid imidazolate/carboxylate functionalized ligand - Effect of the torsion of the ligands on crystal structures and properties","Inorganica Chimica Acta","2012","393","","117","126","","","","0.71073","MoKα","","0.0659","0.0434","","","0.0987","0.1061","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512701","15.2856","0.0016","9.2163","0.001","18.1367","0.0019","90","","104.793","0.001","90","","2470.4","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cd N5 O6 -","- C24 H25 Cd N5 O6 -","- C96 H100 Cd4 N20 O24 -","4","1","","Jing-Si Yang; Jiang Zhu; Rui-Bin Liu; Jun Ni; Zhi-Duo Chang; Tao Hu; Jian-Jun Zhang; Chang-Gong Meng","Syntheses and characterization of four 2D metal-organic networks based on rigid imidazolate/carboxylate functionalized ligand - Effect of the torsion of the ligands on crystal structures and properties","Inorganica Chimica Acta","2012","393","","117","126","","","","0.71073","MoKα","","0.0377","0.0282","","","0.0687","0.0727","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512702","17.149","0.003","14.5281","0.0015","15.488","0.002","90","","122.311","0.006","90","","3261.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Mn2 N4 O9 -","- C32 H34 Mn2 N4 O9 -","- C128 H136 Mn8 N16 O36 -","4","0.5","","Hai-Jun Xu; Li Xu","Synthesis, crystal structures and properties of two complexes constructed from in situ-generated new ligands","Inorganica Chimica Acta","2012","393","","140","145","","","","0.71073","MoKα","","0.056","0.0498","","","0.1284","0.1336","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512703","14.637","0.003","7.5356","0.0015","8.7567","0.0018","90","","101.04","0.03","90","","948","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Mn N O4 -","- C9 H7 Mn N O4 -","- C36 H28 Mn4 N4 O16 -","4","1","","Hai-Jun Xu; Li Xu","Synthesis, crystal structures and properties of two complexes constructed from in situ-generated new ligands","Inorganica Chimica Acta","2012","393","","140","145","","","","0.71073","MoKα","","0.0703","0.0615","","","0.1543","0.1599","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512704","7.9462","0.0013","8.5467","0.0014","11.3279","0.0018","94.118","0.003","101.201","0.002","101.223","0.002","735.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cl2 N2 Pd S -","- C12 H18 Cl2 N2 Pd S -","- C24 H36 Cl4 N4 Pd2 S2 -","2","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.038","0.0334","","","0.0857","0.1078","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512705","7.8485","0.0015","9.915","0.0018","38.212","0.007","90","","90","","90","","2973.6","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cl2 N O Pd Se -","- C12 H17 Cl2 N O Pd Se -","- C96 H136 Cl16 N8 O8 Pd8 Se8 -","8","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0439","0.0374","","","0.0838","0.0862","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512706","7.949","0.003","19.348","0.006","10.049","0.003","90","","90","","90","","1545.5","0.9","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H19 Cl2 N Pd Se -","- C13 H19 Cl2 N Pd Se -","- C52 H76 Cl8 N4 Pd4 Se4 -","4","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0698","0.0606","","","0.1205","0.1246","","","","","","1.209","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512707","7.739","0.0019","9.812","0.002","37.95","0.009","90","","90","","90","","2881.7","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cl2 N O Pd S -","- C12 H17 Cl2 N O Pd S -","- C96 H136 Cl16 N8 O8 Pd8 S8 -","8","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0376","0.0343","","","0.0853","0.0871","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512708","8.246","0.003","9.628","0.004","10.664","0.004","110.868","0.007","110.368","0.006","97.375","0.009","710.2","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Cl2 N2 O Pd S -","- C11 H16 Cl2 N2 O Pd S -","- C22 H32 Cl4 N4 O2 Pd2 S2 -","2","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0575","0.0547","","","0.1726","0.1836","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512709","12.9971","0.0007","17.6354","0.0007","37.9265","0.0018","90","","95.587","0.001","90","","8651.8","0.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cl3 N8 O4 Rh -","- C24 H28 Cl3 N8 O4 Rh -","- C288 H336 Cl36 N96 O48 Rh12 -","12","1.5","","Dibakar Sardar; Papia Datta; Sanju Das; Biswarup Saha; Saheli Samanta; Debalina Bhattacharya; Parimal Karmakar; Chung-De Chen; Chun-Jung Chen; Chittaranjan Sinha","Synthesis, structure, DNA interaction and nuclease activity of rhodium(III)-arylazoimidazole complexes","Inorganica Chimica Acta","2012","393","","98","106","","","","0.71073","MoKα","","0.08","0.0732","","","0.1433","0.1456","","","","","","1.417","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512710","12.877","0.0002","16.4935","0.0003","23.6068","0.0003","89.7","0.001","77.457","0.001","68.789","0.001","4547.72","0.13","93","2","93","2","","","","","","","","10","P -1","-P 1","2","","","","- C92 H85 Au Cl5 F12 N2 O P6 Pt2 S2 -","- C92 H85 Au Cl5 F12 N2 O P6 Pt2 S2 -","- C184 H170 Au2 Cl10 F24 N4 O2 P12 Pt4 S4 -","2","1","","Bradley C. White; William Henderson; T.S. Andy Hor; Brian K. Nicholson","Synthesis and characterization of new trimetallic complexes with {Pt2Au(mu-S)2}n+ (n = 2, 3) cores containing C, N and N, N donor ligands","Inorganica Chimica Acta","2012","393","","146","151","","","","0.71073","MoKα","","0.2163","0.1052","","","0.2376","0.2825","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512711","14.5527","0.0018","14.5492","0.0016","15.2941","0.0019","90","","118.38","0.0012","90","","2849","0.6","113.1","","113.1","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C27 H31 F6 N4 O3 P Ru -","- C27 H30 F6 N4 O3 P Ru -","- C108 H120 F24 N16 O12 P4 Ru4 -","4","1","","Luc J. Boudreau; Terri L. Clarke; Adrian H. Murray; Katherine N. Robertson; T. Stanley Cameron; Manuel A.S. Aquino","Sterically-directed disassembly of diruthenium(II,III) tetraacetate using substituted and unsubstituted 2,2'-bipyridines and 1,10-phenanthrolines","Inorganica Chimica Acta","2012","393","","152","158","","","","0.7107","MoKα","","","0.0605","","","","0.0666","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512712","18.122","0.002","14.985","0.002","12.984","0.002","90","","111.634","0.011","90","","3277.5","0.8","153.1","","153.1","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Cl2 F6 N4 O2 P Ru -","- C31 H29 Cl2 F6 N4 O2 P Ru -","- C124 H116 Cl8 F24 N16 O8 P4 Ru4 -","4","0.5","","Luc J. Boudreau; Terri L. Clarke; Adrian H. Murray; Katherine N. Robertson; T. Stanley Cameron; Manuel A.S. Aquino","Sterically-directed disassembly of diruthenium(II,III) tetraacetate using substituted and unsubstituted 2,2'-bipyridines and 1,10-phenanthrolines","Inorganica Chimica Acta","2012","393","","152","158","","","","1.54178","CuKα","","","0.0655","","","","0.0768","","","","","","1.072","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512713","14.3015","0.0018","7.1697","0.0009","15.1451","0.0019","90","","90","","90","","1552.9","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 N2 O8 Zn -","- C16 H12 N2 O8 Zn -","- C64 H48 N8 O32 Zn4 -","4","0.5","","Yong-Qing Huang; Yan-Hua Wang; Yue Zhao; Qian Zhao; Yang Yang; Wei Zhao; Qian Shao","Syntheses, structures and photoluminescent properties of three new coordination polymers based on semirigid zwitterionic ligand","Inorganica Chimica Acta","2012","393","","164","170","","","","0.71073","MoKα","","0.0338","0.0288","","","0.0759","0.0785","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512714","7.529","0.005","17.346","0.011","7.425","0.005","90","","117.455","0.008","90","","860.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cd N2 O10 -","- C16 H16 Cd N2 O10 -","- C32 H32 Cd2 N4 O20 -","2","0.5","","Yong-Qing Huang; Yan-Hua Wang; Yue Zhao; Qian Zhao; Yang Yang; Wei Zhao; Qian Shao","Syntheses, structures and photoluminescent properties of three new coordination polymers based on semirigid zwitterionic ligand","Inorganica Chimica Acta","2012","393","","164","170","","","","0.71073","MoKα","","0.0208","0.0196","","","0.0535","0.0544","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512715","24.979","0.005","4.6302","0.0008","21.62","0.006","90","","124.074","0.002","90","","2071.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N2 O7 Pb -","- C8 H6 N2 O7 Pb -","- C64 H48 N16 O56 Pb8 -","8","1","","Yong-Qing Huang; Yan-Hua Wang; Yue Zhao; Qian Zhao; Yang Yang; Wei Zhao; Qian Shao","Syntheses, structures and photoluminescent properties of three new coordination polymers based on semirigid zwitterionic ligand","Inorganica Chimica Acta","2012","393","","164","170","","","","0.71073","MoKα","","0.0357","0.0322","","","0.0795","0.0821","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512716","8.8334","0.0013","14.049","0.002","18.822","0.003","90","","100.719","0.002","90","","2295.1","0.6","100","2","100","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C39.75 H43.5 Br4 Cl1.5 F3 N3 O6 Ru S -","- C39.75 H42 Br4 Cl1.5 F3 N3 O6 Ru S -","- C79.5 H84 Br8 Cl3 F6 N6 O12 Ru2 S2 -","2","1","","Ho-Yuen Ng; Ngai-Man Lam; Min Yang; Xiao-Yi Yi; Ian D. Williams; Wa-Hung Leung","Ruthenium(VI) nitrido complexes with a sterically bulky bidentate Schiff base ligand","Inorganica Chimica Acta","2012","393","","171","175","","","","0.71073","MoKα","","0.0571","0.0458","","","0.1077","0.1127","","","","","","1.034","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512717","26.4754","0.0006","26.4754","0.0006","26.4754","0.0006","90","","90","","90","","18557.8","0.7","293","2","293","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumdysprosiumate trihydrate","","- C24 H42 Ca3 Dy2 O39 -","- C24 H42 Ca3 Dy2 O39 -","- C384 H672 Ca48 Dy32 O624 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","1.5418","CuKα","","0.0358","0.0318","","","0.0946","0.1","","","","","","1.236","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512718","26.4839","0.0009","26.4839","0.0009","26.4839","0.0009","90","","90","","90","","18575.7","1.1","293","2","293","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumerbiumate trihydrate","","- C24 H48 Ca3 Er2 O39 -","- C24 H42 Ca3 Er2 O39 -","- C384 H672 Ca48 Er32 O624 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","0.7107","MoKα","","0.0536","0.0266","","","0.0783","0.0897","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512719","26.7069","0.0005","26.7069","0.0005","26.7069","0.0005","90","","90","","90","","19048.9","0.6","293","2","293","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumeuropiumate trihydrate","","- C24 H42 Ca3 Eu2 O39 -","- C24 H42 Ca3 Eu2 O39 -","- C384 H672 Ca48 Eu32 O624 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","0.7107","MoKα","","0.0655","0.0375","","","0.092","0.1167","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512720","26.4905","0.0002","26.4905","0.0002","26.4905","0.0002","90","","90","","90","","18589.6","0.2","293","2","293","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumholmiumate trihydrate","","- C24 H42 Ca3 Ho2 O39 -","- C24 H42 Ca3 Ho2 O39 -","- C384 H672 Ca48 Ho32 O624 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","1.5418","CuKα","","0.043","0.041","","","0.1425","0.1467","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512721","26.3397","0.0004","26.3397","0.0004","26.3397","0.0004","90","","90","","90","","18274","0.5","293","2","566","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumlutetiumate trihydrate","","- C24 H42 Ca3 Lu2 O39 -","- C24 H42 Ca3 Lu2 O39 -","- C384 H672 Ca48 Lu32 O624 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","1.5418","CuKα","","0.0383","0.0322","","","0.0997","0.1102","","","","","","1.233","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512722","26.613","0.0006","26.613","0.0006","26.613","0.0006","90","","90","","90","","18848.7","0.7","293","2","293","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumterbiumate trihydrate","","- C24 H42 Ca3 O39 Tb2 -","- C24 H42 Ca3 O39 Tb2 -","- C384 H672 Ca48 O624 Tb32 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","0.7107","MoKα","","0.0618","0.0319","","","0.0818","0.0966","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512723","26.4117","0.0009","26.4117","0.0009","26.4117","0.0009","90","","90","","90","","18424.2","1.1","293","2","566","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumthuliumate trihydrate","","- C24 H42 Ca3 O39 Tm2 -","- C24 H42 Ca3 O39 Tm2 -","- C384 H672 Ca48 O624 Tm32 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","1.5418","CuKα","","0.0571","0.0486","","","0.1479","0.1626","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512724","26.428","0.001","26.428","0.001","26.428","0.001","90","","90","","90","","18458.4","1.2","293","2","293","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumytterbiumate trihydrate","","- C24 H42 Ca3 O39 Yb2 -","- C24 H42 Ca3 O39 Yb2 -","- C384 H672 Ca48 O624 Yb32 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","0.7107","MoKα","","0.0624","0.0378","","","0.1263","0.1747","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512725","26.509","0.0013","26.509","0.0013","26.509","0.0013","90","","90","","90","","18628.6","1.6","293","2","293","2","","","","","","","","5","F d -3 c","-F 4ud 2vw 3","228","","Hexaaquacalcium bis(μ~3~-oxydiacetato)calciumyttriumate trihydrate","","- C24 H42 Ca3 O39 Y2 -","- C24 H42 Ca3 O39 Y2 -","- C384 H672 Ca48 O624 Y32 -","16","","","Julia Torres; Javier Gonzalez-Platas; Joaquin Sanchiz; Jorge Castiglioni; Sixto Dominguez; Carlos Kremer","Cation effect on the crystal structure of polynuclear complexes with 2,2'-oxydiacetate as bridging ligand","Inorganica Chimica Acta","2012","393","","196","202","","","","0.7107","MoKα","","0.1045","0.0504","","","0.1233","0.1434","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512726","8.6765","0.0012","16.646","0.002","10.0095","0.0014","90","","94.381","0.007","90","","1441.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N6 O4 Zn2 -","- C30 H26 N6 O4 Zn2 -","- C60 H52 N12 O8 Zn4 -","2","0.5","","Himanshu Sekhar Jena; Vadivelu Manivannan","Molecular structures of dinuclear zinc(II) complexes of chiral tridentate imine and amine ligands: Effect of ligand geometry on diastereoselectivity","Inorganica Chimica Acta","2012","393","","210","219","","","","0.71073","MoKα","","0.0381","0.0274","","","0.0733","0.0799","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512727","6.2073","0.0011","10.5477","0.0019","11.406","0.002","67.647","0.012","87.4","0.013","79.832","0.012","679.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N5 O Zn -","- C14 H13 N5 O Zn -","- C28 H26 N10 O2 Zn2 -","2","1","","Himanshu Sekhar Jena; Vadivelu Manivannan","Molecular structures of dinuclear zinc(II) complexes of chiral tridentate imine and amine ligands: Effect of ligand geometry on diastereoselectivity","Inorganica Chimica Acta","2012","393","","210","219","","","","0.71073","MoKα","","0.0398","0.0398","","","0.0967","0.0967","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512728","8.6555","0.0004","11.6319","0.0006","17.4024","0.0009","90","","94.858","0.003","90","","1745.78","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N6 O4 Zn2 -","- C40 H30 N6 O4 Zn2 -","- C80 H60 N12 O8 Zn4 -","2","0.5","","Himanshu Sekhar Jena; Vadivelu Manivannan","Molecular structures of dinuclear zinc(II) complexes of chiral tridentate imine and amine ligands: Effect of ligand geometry on diastereoselectivity","Inorganica Chimica Acta","2012","393","","210","219","","","","0.71073","MoKα","","0.0627","0.0365","","","0.0817","0.095","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512729","9.039","0.002","11.126","0.004","31.323","0.01","90","","91.162","0.019","90","","3149.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N6 O4 Zn2 -","- C30 H30 N6 O4 Zn2 -","- C120 H120 N24 O16 Zn8 -","4","1","","Himanshu Sekhar Jena; Vadivelu Manivannan","Molecular structures of dinuclear zinc(II) complexes of chiral tridentate imine and amine ligands: Effect of ligand geometry on diastereoselectivity","Inorganica Chimica Acta","2012","393","","210","219","","","","0.71073","MoKα","","0.0715","0.0434","","","0.0918","0.1031","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512730","11.8857","0.0009","19.1656","0.0014","18.9389","0.0012","90","","116.113","0.004","90","","3873.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N12 O4 Zn2 -","- C34 H44 N12 O4 Zn2 -","- C136 H176 N48 O16 Zn8 -","4","1","","Himanshu Sekhar Jena; Vadivelu Manivannan","Molecular structures of dinuclear zinc(II) complexes of chiral tridentate imine and amine ligands: Effect of ligand geometry on diastereoselectivity","Inorganica Chimica Acta","2012","393","","210","219","","","","0.71073","MoKα","","0.0627","0.0402","","","0.1083","0.1255","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512731","9.0463","0.0003","11.3639","0.0004","20.4068","0.0008","97.96","0.002","92.802","0.002","102.032","0.002","2025.43","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 N7 O5 Zn2 -","- C43 H40 N7 O5 Zn2 -","- C86 H80 N14 O10 Zn4 -","2","1","","Himanshu Sekhar Jena; Vadivelu Manivannan","Molecular structures of dinuclear zinc(II) complexes of chiral tridentate imine and amine ligands: Effect of ligand geometry on diastereoselectivity","Inorganica Chimica Acta","2012","393","","210","219","","","","0.71073","MoKα","","0.0636","0.0366","","","0.0918","0.1052","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512732","9.4973","0.0008","11.6634","0.0011","18.21","0.0017","97.91","0.006","100.74","0.007","109.9","0.007","1818.8","0.3","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H81 Cu4 K6 N4 O39.5 -","- C54 H81 Cu4 K6 N4 O39.5 -","- C54 H81 Cu4 K6 N4 O39.5 -","1","0.5","","Rebecca A. Joy; Hadi Arman; Shengchang Xiang; Ghezai T. Musie","Synthesis, crystal structure, magnetic and electrochemical studies of two copper complexes with carboxylate rich dinucleating ligand","Inorganica Chimica Acta","2012","393","","220","228","","","","0.71073","MoKα","","0.0316","0.0308","","","0.0846","0.0853","","","","","","1.009","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512733","14.177","0.003","18.009","0.004","18.663","0.005","110.287","0.002","103.704","0.003","102.243","0.002","4109.6","1.7","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H108 Cu8 N8 Na4 O84 -","- C92 H107.4 Cu8 N8 Na4 O83.2 -","- C92 H107.4 Cu8 N8 Na4 O83.2 -","1","0.5","","Rebecca A. Joy; Hadi Arman; Shengchang Xiang; Ghezai T. Musie","Synthesis, crystal structure, magnetic and electrochemical studies of two copper complexes with carboxylate rich dinucleating ligand","Inorganica Chimica Acta","2012","393","","220","228","","","","0.71073","MoKα","","0.0893","0.0839","","","0.1957","0.1982","","","","","","1.121","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512734","18.322","0.003","7.4425","0.001","23.236","0.004","90","","111.293","0.002","90","","2952.2","0.8","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cu2 N2 Na3 O16.25 -","- C24 H29 Cu2 N2 Na3 O16.25 -","- C96 H116 Cu8 N8 Na12 O65 -","4","1","","Rebecca A. Joy; Hadi Arman; Shengchang Xiang; Ghezai T. Musie","Synthesis, crystal structure, magnetic and electrochemical studies of two copper complexes with carboxylate rich dinucleating ligand","Inorganica Chimica Acta","2012","393","","220","228","","","","0.71073","MoKα","","0.0343","0.0312","","","0.0703","0.0722","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512735","7.481","0.0015","8.603","0.0017","9.73","0.0019","105.32","0.03","110.9","0.03","97.48","0.03","546.4","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Mn N4 O16 P4 -","- C10 H22 Mn N4 O16 P4 -","- C10 H22 Mn N4 O16 P4 -","1","0.5","","Eleonora Freire; Mariano Quintero; Daniel Vega; Ricardo Baggio","Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)Cl7(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)","Inorganica Chimica Acta","2012","393","","229","236","","","","0.71073","MoKα","","0.0571","0.0342","","","0.0889","0.0966","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512736","15.212","0.002","19.277","0.003","22.876","0.003","65.252","0.002","70.935","0.002","81.401","0.002","5757.3","1.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H268 Cl11 Fe15 N24 O175 P24 -","- C60 H60 Cl11 Fe15 N24 O175 P24 -","- C60 H60 Cl11 Fe15 N24 O175 P24 -","1","0.5","","Eleonora Freire; Mariano Quintero; Daniel Vega; Ricardo Baggio","Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)Cl7(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)","Inorganica Chimica Acta","2012","393","","229","236","","","","0.71073","MoKα","","0.1307","0.0741","","","0.1793","0.2026","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512737","9.9449","0.0004","10.3521","0.0006","17.5131","0.0011","90","","90","","90","","1802.98","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(NH)2sal","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Katharina Butsch; Thomas Gunther; Axel Klein; Kathrin Stirnat; Albrecht Berkessel; Jorg Neudorfl","Redox chemistry of copper complexes with various salen type ligands","Inorganica Chimica Acta","2012","393","","237","246","","","","0.71073","MoKα","","0.0531","0.0342","","","0.0688","0.074","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512738","10.8776","0.0007","13.7904","0.0008","27.529","0.002","90","","90","","90","","4129.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Me2salF4","","","- C22 H22 F4 N2 O2 -","- C22 H22 F4 N2 O2 -","- C176 H176 F32 N16 O16 -","8","2","","Katharina Butsch; Thomas Gunther; Axel Klein; Kathrin Stirnat; Albrecht Berkessel; Jorg Neudorfl","Redox chemistry of copper complexes with various salen type ligands","Inorganica Chimica Acta","2012","393","","237","246","","","","0.71073","MoKα","","0.1427","0.0469","","","0.076","0.094","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512739","19.09","0.003","16.624","0.003","11.3624","0.0016","90","","101.063","0.011","90","","3538.9","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","[(Me2salF4)Cu]","","","- C22 H20 Cu F4 N2 O2 -","- C22 H20 Cu F4 N2 O2 -","- C132 H120 Cu6 F24 N12 O12 -","6","1.5","","Katharina Butsch; Thomas Gunther; Axel Klein; Kathrin Stirnat; Albrecht Berkessel; Jorg Neudorfl","Redox chemistry of copper complexes with various salen type ligands","Inorganica Chimica Acta","2012","393","","237","246","","","","0.71073","MoKα","","0.1474","0.0477","","","0.1387","0.1588","","","","","","0.61","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512740","13.3489","0.0011","11.8017","0.001","21.7504","0.0019","90","","92.174","0.008","90","","3424.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cd N6 Ni2 O4 S2 -","- C36 H32 Cd N6 Ni2 O4 S2 -","- C144 H128 Cd4 N24 Ni8 O16 S8 -","4","1","","Lakshmi Kanta Das; Michael G.B. Drew; Ashutosh Ghosh","Hetero-metallic trinuclear nickel(II)-cadmium(II) complexes of a salicylaldimine ligand with thiocyanate, cyanate and azide ions: Isolation of a pair of polymorphs with thiocyanate ion","Inorganica Chimica Acta","2012","393","","247","254","","","","0.71073","MoKα","","0.0946","0.0565","","","0.1113","0.1308","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512741","11.0391","0.0003","16.4365","0.0004","19.2764","0.0005","90","","90.517","0.002","90","","3497.45","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cd N6 Ni2 O4 S2 -","- C36 H32 Cd N6 Ni2 O4 S2 -","- C144 H128 Cd4 N24 Ni8 O16 S8 -","4","1","","Lakshmi Kanta Das; Michael G.B. Drew; Ashutosh Ghosh","Hetero-metallic trinuclear nickel(II)-cadmium(II) complexes of a salicylaldimine ligand with thiocyanate, cyanate and azide ions: Isolation of a pair of polymorphs with thiocyanate ion","Inorganica Chimica Acta","2012","393","","247","254","","","","1.54184","CuKα","","0.0985","0.09","","","0.2412","0.2526","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512742","9.985","0.005","11.982","0.005","13.895","0.005","90.774","0.005","100.15","0.005","90.465","0.005","1636.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Cd N6 Ni2 O6 -","- C36 H32 Cd N6 Ni2 O6 -","- C72 H64 Cd2 N12 Ni4 O12 -","2","1","","Lakshmi Kanta Das; Michael G.B. Drew; Ashutosh Ghosh","Hetero-metallic trinuclear nickel(II)-cadmium(II) complexes of a salicylaldimine ligand with thiocyanate, cyanate and azide ions: Isolation of a pair of polymorphs with thiocyanate ion","Inorganica Chimica Acta","2012","393","","247","254","","","","0.71073","MoKα","","0.0531","0.0408","","","0.1068","0.1146","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512743","9.8995","0.0004","12.0305","0.0006","14.0228","0.0006","89.238","0.002","79.42","0.002","89.455","0.002","1641.48","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cd N10 Ni2 O4 -","- C34 H32 Cd N10 Ni2 O4 -","- C68 H64 Cd2 N20 Ni4 O8 -","2","1","","Lakshmi Kanta Das; Michael G.B. Drew; Ashutosh Ghosh","Hetero-metallic trinuclear nickel(II)-cadmium(II) complexes of a salicylaldimine ligand with thiocyanate, cyanate and azide ions: Isolation of a pair of polymorphs with thiocyanate ion","Inorganica Chimica Acta","2012","393","","247","254","","","","0.71073","MoKα","","0.0838","0.0481","","","0.1305","0.1606","","","","","","0.864","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512990","8.1498","0.0008","8.569","0.0008","16.9722","0.0016","97.46","0.002","93.936","0.002","101.587","0.002","1145.79","0.19","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl4 Co N2 O3 -","- C20 H22 Cl4 Co N2 O3 -","- C40 H44 Cl8 Co2 N4 O6 -","2","1","","Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi","Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations","Journal of Molecular Structure","2012","1013","0","102","110","10.1016/j.molstruc.2012.01.023","","","0.71073","MoKα","","0.0735","0.0671","","","0.1609","0.1652","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512991","8.1684","0.0011","8.6173","0.0012","17.17","0.002","97.796","0.002","93.831","0.002","102.295","0.002","1164.2","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl4 N2 O3 Zn -","- C20 H22 Cl4 N2 O3 Zn -","- C40 H44 Cl8 N4 O6 Zn2 -","2","1","","Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi","Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations","Journal of Molecular Structure","2012","1013","0","102","110","10.1016/j.molstruc.2012.01.023","","","0.71073","MoKα","","0.0844","0.0723","","","0.2034","0.2146","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512992","8.077","0.0014","8.6476","0.0015","17.209","0.003","99.131","0.003","101.853","0.003","98.832","0.003","1139.7","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl4 Cu N2 O2 -","- C20 H22 Cl4 Cu N2 O2 -","- C40 H44 Cl8 Cu2 N4 O4 -","2","1","","Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi","Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations","Journal of Molecular Structure","2012","1013","0","102","110","10.1016/j.molstruc.2012.01.023","","","0.71073","MoKα","","0.1154","0.0967","","","0.2111","0.2207","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513042","11.024","0.004","9.29","0.003","29.254","0.011","90","","98.054","0.012","90","","2966.4","1.8","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Morpholin-4-yl-ethyl-ammonium mandelate","","","- C14 H21 N2 O4 -","- C14 H21 N2 O4 -","- C112 H168 N16 O32 -","8","2","","Ivanova, Bojidarka","Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","8","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.1476","0.0935","","","0.2603","0.2981","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513043","9.9537","0.0015","9.6632","0.0015","16.173","0.003","90","","90","","90","","1555.6","0.4","198","2","198","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","D,L-mandelic acid redetermination","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Ivanova, Bojidarka","Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.058","0.041","","","0.1244","0.144","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513044","7.711","0.003","12.974","0.006","23.865","0.011","90","","90","","90","","2387.5","1.8","199","2","199","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,4bis(2hydroxyethyl)piperazinium MA MA acid","","","- C24 H34 Cl0 N2 O8 -","- C24 H34 N2 O8 -","- C96 H136 N8 O32 -","4","1","","Ivanova, Bojidarka","Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.1227","0.1047","","","0.2195","0.2338","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513064","6.444","0.003","7.527","0.003","17.57","0.008","90.391","0.014","99.196","0.014","97.017","0.014","834.7","0.6","198","2","198","2","","","","","","","","6","P -1","-P 1","2","potassium violurate methanol solvate","","","- C10 H12 K N6 O10 S0 -","- C10 H12 K N6 O10 -","- C20 H24 K2 N12 O20 -","2","1","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.0827","0.0587","","","0.1583","0.1713","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513065","11.296","0.005","11.981","0.004","6.493","0.003","90","","105.347","0.013","90","","847.4","0.6","199","2","199","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium violurate dihydrate","","","- C4 H2 K N3 O6 -","- C4 H6 K N3 O6 -","- C16 H24 K4 N12 O24 -","4","1","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.1134","0.0616","","","0.1276","0.1485","","","","","","0.816","","","","has coordinates","189207","2020-10-21","18:00:00",""
"1513066","18.814","0.004","5.4898","0.001","19.856","0.004","90","","103.984","0.006","90","","1990","0.7","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","potassium 5-sulfosalicylate salt II","","","- C11.2 H6.4 K2.4 N0 O10.4 S1.6 -","- C11.2 H6.4 K2.4 O10.4 S1.6 -","- C56 H32 K12 O52 S8 -","5","1.25","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.1105","0.0908","","","0.2711","0.2812","","","","","","1.496","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513067","7.4067","0.0015","11.291","0.003","27.061","0.006","90","","97.024","0.007","90","","2246.1","0.9","204","2","204","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-sulfosalicylate potassium tetrahydrate","","","- C7 H3 K2 O7.5 S -","- C7 H3 K2 O7.5 S -","- C56 H24 K16 O60 S8 -","8","2","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.0982","0.0708","","","0.1792","0.1958","","","","","","1.088","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1513075","10.466","0.006","18.241","0.011","8.265","0.004","90","","90","","90","","1577.9","1.5","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","tyramine monohydrate","","","- C14 H23 N4 O6 -","- C16 H21 N2 O3 -","- C64 H84 N8 O12 -","4","1","","Ivanova, Bojidarka","Solid-state Raman spectra of non-centrosymmetric crystals – theoretical vs. experimental study towards an application in THz-regime","Journal of Molecular Structure","2012","1016","","47","","10.1016/j.molstruc.2012.02.040","","","0.71073","MoKα","","0.0841","0.0556","","","0.1498","0.1713","","","","","","0.904","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513076","28.108","0.004","27.934","0.004","28.988","0.004","90","","115.139","0.003","90","","20605","5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H74 Cu4 N6 O21 -","- C81 H73 Cu4 N6 O21 -","- C648 H584 Cu32 N48 O168 -","8","1","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Synthesis and structure of a Cu4O4 cubane core complex from a carboxylate ligand containing a strong pi pi stacking supramolecular synthon","Inorganica Chimica Acta","2012","386","","102","108","10.1016/j.ica.2012.01.041","","","0.71073","MoKα","","0.0891","0.056","","","0.148","0.1621","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514054","8.2427","0.0003","8.2427","0.0003","8.2427","0.0003","90","","90","","90","","560.03","0.04","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.735/1.767/4)","","- Li0.735 Mn1.767 O4 -","- Li0.735 Mn1.768 O4 -","- Li5.88 Mn14.144 O32 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514055","8.2386","0.0006","8.2386","0.0006","8.2386","0.0006","90","","90","","90","","559.19","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.611/2/3.88)","","- Li0.611 Mn2 O3.88 -","- Li0.611 Mn2 O3.88 -","- Li4.888 Mn16 O31.04 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514056","8.2464","0.0004","8.2464","0.0004","8.2464","0.0004","90","","90","","90","","560.78","0.05","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.02/1.62/4)","","- Li1.02 Mn1.62 O4 -","- Li1.02 Mn1.62 O4 -","- Li8.16 Mn12.96 O32 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514057","8.2464","0.0005","8.2464","0.0005","8.2464","0.0005","90","","90","","90","","560.78","0.06","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.02/1.62/4)","","- Li0.81 Mn1.78 O4 -","- Li0.81 Mn1.78 O4 -","- Li6.48 Mn14.24 O32 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514058","8.2412","0.0005","8.2412","0.0005","8.2412","0.0005","90","","90","","90","","559.72","0.06","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.49/1.39/4)","","- Li1.49 Mn1.39 O4 -","- Li1.49 Mn1.39 O4 -","- Li11.92 Mn11.12 O32 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514059","8.2403","0.0005","8.2403","0.0005","8.2403","0.0005","90","","90","","90","","559.54","0.06","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.56/1.39/4)","","- Li1.56 Mn1.39 O4 -","- Li1.56 Mn1.39 O4 -","- Li12.48 Mn11.12 O32 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514060","8.2298","0.0006","8.2298","0.0006","8.2298","0.0006","90","","90","","90","","557.4","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.45/2.03/4)","","- Li0.45 Mn2.03 O4 -","- Li0.45 Mn2.03 O4 -","- Li3.6 Mn16.24 O32 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514061","8.2226","0.0003","8.2226","0.0003","8.2226","0.0003","90","","90","","90","","555.94","0.04","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.48/1.88/4)","","- Li0.48 Mn1.88 O4 -","- Li0.48 Mn1.88 O4 -","- Li3.84 Mn15.04 O32 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514062","8.2213","0.0004","8.2213","0.0004","8.2213","0.0004","90","","90","","90","","555.68","0.05","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.55/2/3.51)","","- Li0.55 Mn2 O3.51 -","- Li0.55 Mn2 O3.516 -","- Li4.4 Mn16 O28.128 -","8","0.0416667","","Talik, E.; Zalog, A.; Skrzypek, D.; Guzik, A.; Zajdel, P.; Michalska, M.; Lipinska, L.","Li Mn2 O4 nanocrystalline electrode materials","Crystal Research and Technology","2012","47","3","351","362","10.1002/crat.201100473","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514065","4.927","0.006","8.511","0.003","9.624","0.005","90","","99.08","0.05","90","","398.5","0.5","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dilithium Manganate(IV)","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li16 Mn8 O24 -","8","1","","Song, Bohang; Lai, Man On; Lu, Li","Influence of Ru substitution on Li-rich 0.55(Li2 Mn O3) * 0.45(Li Ni1/3 Co1/3 Mn1/3 O2) cathode for Li-ion batteries","Electrochimica Acta","2012","80","","187","195","10.1016/j.electacta.2012.06.118","","","","","","0.1152","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514066","4.9166","0.0001","8.5065","0.0002","5.0117","0.0001","90","","109.376","0.002","90","","197.733","0.008","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dilithium Manganate(IV)","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li8 Mn4 O12 -","4","0.5","","Lee, Sanghyun; Choi, Seongil; Kim, Jiyeon; Sim, Hasung; Won, Choongjae; Lee, Seongsu; Kim, Shin; Hur, Namjung; Park, Je-Geun","Antiferromagnetic ordering in Li2 Mn O3 single crystals with a 2-dimensional honeycomb lattice","Journal of Physics: Condensed Matter","2012","24","45","456004-1","456004-9","","","","","","","0.0386","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514067","4.9167","0.0002","8.5069","0.0002","5.0099","0.0001","90","","109.373","0.002","90","","197.679","0.01","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dilithium Manganate(IV)","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li8 Mn4 O12 -","4","0.5","","Lee, Sanghyun; Choi, Seongil; Kim, Jiyeon; Sim, Hasung; Won, Choongjae; Lee, Seongsu; Kim, Shin; Hur, Namjung; Park, Je-Geun","Antiferromagnetic ordering in Li2 Mn O3 single crystals with a 2- dimensional honeycomb lattice","Journal of Physics: Condensed Matter","2012","24","45","456004-1","456004-9","","","","","","","0.0399","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514913","9.582","0.004","10.189","0.005","12.743","0.006","80.315","0.007","81.682","0.007","72.174","0.007","1161.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 Cl O3 Sn -","- C27 H19 Cl O3 Sn -","- C54 H38 Cl2 O6 Sn2 -","2","1","","Villamil-Ramos, Raul; Barba, Víctor; Yatsimirsky, Anatoly K.","Selective fluorometric detection of pyrophosphate by 3-hydroxyflavone-diphenyltin(IV) complex in aqueous micellar medium.","The Analyst","2012","137","22","5229","5236","10.1039/c2an35999e","","","0.71073","MoKα","","0.1215","0.0999","","","0.1787","0.186","","","","","","1.366","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514914","5.933","0.003","11.085","0.006","15.588","0.008","93.5","0.02","92.85","0.02","93.01","0.02","1020.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C46 H46 N6 O8 -","2","1","","Ho, I-Ting; Lai, Ting-Ling; Wu, Ren-Tsung; Tsai, Ming-Tsung; Wu, Chun-Ming; Lee, Gene-Hsiang; Chung, Wen-Sheng","Design and synthesis of triazolyl coumarins as Hg2+ selective fluorescent chemosensors.","The Analyst","2012","137","24","5770","5776","10.1039/c2an36076d","","","0.71073","MoKα","","0.1373","0.0763","","","0.2076","0.2611","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514915","5.7298","0.0004","11.442","0.0008","17.7012","0.0013","96.531","0.002","96.165","0.002","93.056","0.002","1143.77","0.14","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N3 O5 -","- C25 H25 N3 O5 -","- C50 H50 N6 O10 -","2","1","","Ho, I-Ting; Lai, Ting-Ling; Wu, Ren-Tsung; Tsai, Ming-Tsung; Wu, Chun-Ming; Lee, Gene-Hsiang; Chung, Wen-Sheng","Design and synthesis of triazolyl coumarins as Hg2+ selective fluorescent chemosensors.","The Analyst","2012","137","24","5770","5776","10.1039/c2an36076d","","","0.71073","MoKα","","0.1129","0.0805","","","0.1918","0.2179","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514916","24.481","0.002","8.9613","0.0005","23.769","0.002","90","","108.336","0.002","90","","4949.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H47 F12 N5 P2 -","- C52 H47 F12 N5 P2 -","- C208 H188 F48 N20 P8 -","4","1","","Kumar, Rahul; Kumar, Sandeep; Singh, Prabhpreet; Hundal, Geeta; Hundal, Maninder Singh; Kumar, Subodh","A fluorescent chemosensor for detection of perchlorate ions in water.","The Analyst","2012","137","21","4913","4916","10.1039/c2an35901d","","","0.71073","MoKα","","0.2041","0.073","","","0.187","0.2554","","","","","","0.971","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514917","14.5284","0.0006","24.4825","0.0011","30.2443","0.0014","97.944","0.002","99.275","0.002","99.985","0.002","10302.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1330 ak161 2[Eu(tta)3(pip)].3(C5H12)","(2-Phenyl-1H-imidazo(4,5-f)(1,10)phenanthroline-N,N')-tris(1-(2-thienyl)- 4,4,4-trifluorobutane-1,3-dionato-O,O')-europium(iii) n-pentane solvate (2:3).","","- C101 H82 Eu2 F18 N8 O12 S6 -","- C101 H82 Eu2 F18 N8 O12 S6 -","- C404 H328 Eu8 F72 N32 O48 S24 -","4","2","","Knall, Astrid C.; Tscherner, Martin; Noormofidi, Nadja; Pein, Andreas; Saf, Robert; Mereiter, Kurt; Ribitsch, Volker; Stelzer, Franz; Slugovc, Christian","Nonradiative deactivation of europium(III) luminescence as a detection scheme for moisture.","The Analyst","2012","137","3","563","566","10.1039/c1an15987a","","","0.71073","MoKα","","0.0683","0.0526","","","0.1297","0.1415","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514918","8.7402","0.0004","10.657","0.0006","13.3251","0.0005","73.598","0.004","81.236","0.004","66.007","0.005","1086.77","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu N4 O5 -","- C24 H22 Cu N4 O5 -","- C48 H44 Cu2 N8 O10 -","2","1","","Singh, Vikram; Mondal, Prakash Chandra; Lakshmanan, Jeyachandran Yekkoni; Zharnikov, Michael; Gupta, Tarkeshwar","""Turn on"" electron-transfer-based selective detection of ascorbic acid via copper complexes immobilized on glass.","The Analyst","2012","137","14","3216","3219","10.1039/c2an16197d","","","0.71073","MoKα","","0.0355","0.0303","","","0.0804","0.0815","","","","","","1.141","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514919","8.3875","0.0006","12.9511","0.0008","13.3838","0.0009","90","","98.248","0.006","90","","1438.81","0.17","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","2","","Sen, Supriti; Sarkar, Sandipan; Chattopadhyay, Basab; Moirangthem, Anuradha; Basu, Anupam; Dhara, Koushik; Chattopadhyay, Pabitra","A ratiometric fluorescent chemosensor for iron: discrimination of Fe2+ and Fe3+ and living cell application.","The Analyst","2012","137","14","3335","3342","10.1039/c2an35258c","","","0.71073","MoKα","","0.0458","0.0376","","","0.1129","0.1193","","","","","","0.68","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514920","20.3791","0.0017","19.3945","0.0015","16.8449","0.0014","90","","121.23","0.004","90","","5693.1","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 Br Fe N4 O -","- C31 H33 Br Fe N4 O -","- C248 H264 Br8 Fe8 N32 O8 -","8","1","","Cao, Qian-Yong; Pradhan, Tuhin; Lee, Min Hee; No, Kwanghyun; Kim, Jong Seung","Ferrocene-based anion receptor bearing amide and triazolium donor groups.","The Analyst","2012","137","19","4454","4457","10.1039/c2an35481k","","","0.71073","MoKα","","0.0791","0.0406","","","0.079","0.0908","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514921","20.9857","0.0011","20.1226","0.0011","17.211","0.0009","90","","117.802","0.002","90","","6429","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 F6 Fe N4 O P -","- C31 H33 F6 Fe N4 O P -","- C248 H264 F48 Fe8 N32 O8 P8 -","8","1","","Cao, Qian-Yong; Pradhan, Tuhin; Lee, Min Hee; No, Kwanghyun; Kim, Jong Seung","Ferrocene-based anion receptor bearing amide and triazolium donor groups.","The Analyst","2012","137","19","4454","4457","10.1039/c2an35481k","","","0.71073","MoKα","","0.2762","0.0743","","","0.1429","0.1971","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514922","15.982","0.016","4.957","0.005","27.97","0.03","90","","104.77","0.05","90","","2143","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Lin, Hsiang-Yi; Cheng, Pi-Yun; Wan, Chin-Feng; Wu, An-Tai","A turn-on and reversible fluorescence sensor for zinc ion.","The Analyst","2012","137","19","4415","4417","10.1039/c2an35752f","","","0.71073","MoKα","","0.2329","0.0689","","","0.1477","0.2033","","","","","","0.728","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514923","15.746","0.003","8.9776","0.0018","10.2886","0.0019","90","","99.12","0.004","90","","1436","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 B F2 N3 -","- C16 H14 B F2 N3 -","- C64 H56 B4 F8 N12 -","4","1","","Kand, Dnyaneshwar; Mishra, Pratyush Kumar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","BODIPY based colorimetric fluorescent probe for selective thiophenol detection: theoretical and experimental studies.","The Analyst","2012","137","17","3921","3924","10.1039/c2an35524h","","","0.71073","MoKα","","0.1222","0.0589","","","0.1476","0.1907","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514924","9.7368","0.0005","9.5514","0.0004","13.8091","0.0007","90","","107.501","0.005","90","","1224.8","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Sen, Supriti; Mukherjee, Titas; Chattopadhyay, Basab; Moirangthem, Anuradha; Basu, Anupam; Marek, Jaromir; Chattopadhyay, Pabitra","A water soluble Al3+ selective colorimetric and fluorescent turn-on chemosensor and its application in living cell imaging.","The Analyst","2012","137","17","3975","3981","10.1039/c2an35560d","","","0.71073","MoKα","","0.05","0.0398","","","0.1154","0.1197","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514926","6.661","","30.083","","17.635","","90","","99.52","","90","","3485.08","","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C192 H120 N8 O16 -","8","2","","Guha, Subarna; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Das, Debasis","Anthracene appended coumarin derivative as a Cr(iii) selective turn-on fluorescent probe for living cell imaging: a green approach towards speciation studies","Analytical Methods","2012","4","10","3163","","10.1039/c2ay25693b","","","0.71073","MoKα","","0.1417","0.0628","","","0.1258","0.1599","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514927","15.7822","0.0018","7.2392","0.0009","12.5086","0.0017","90","","106.033","0.004","90","","1373.5","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C64 H44 N4 O20 -","4","1","","Ivanova, Bojidarka B.","Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","8","2247","","10.1039/c2ay25090j","","","0.71073","MoKα","","0.0576","0.0392","","","0.1079","0.1301","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514930","21.047","0.006","8.368","0.002","9.364","0.002","90","","101.972","0.008","90","","1613.3","0.7","199","2","199","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N2 O3 -","- C8 H7 N2 O3 -","- C64 H56 N16 O24 -","8","1","","Ivanova, Bojidarka B.","Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","8","2247","","10.1039/c2ay25090j","","","0.71073","MoKα","","0.0477","0.036","","","0.1061","0.122","","","","","","0.687","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514932","10.7541","0.0018","20.966","0.004","10.5543","0.0016","90","","90","","90","","2379.7","0.7","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C15 H11 N S -","- C15 H11 N S -","- C120 H88 N8 S8 -","8","","","Das, Sudipta; Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Guha, Subarna; Matalobos, Jesús Sanmartín; Das, Debasis","Thiophene anchored naphthalene derivative: Cr3+ selective turn-on fluorescent probe for living cell imaging","Analytical Methods","2012","4","8","2254","","10.1039/c2ay25384d","","","0.71073","MoKα","","0.0339","0.0299","","","0.0695","0.0717","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514933","14.1656","0.0007","14.6048","0.0005","14.5328","0.0006","90","","104.242","0.002","90","","2914.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 B O9 -","- C30 H35 B O9 -","- C120 H140 B4 O36 -","4","1","","Lawrence, Katherine; Flower, Stephen E.; Kociok-Kohn, Gabriele; Frost, Christopher G.; James, Tony D.","A simple and effective colorimetric technique for the detection of boronic acids and their derivatives","Analytical Methods","2012","4","8","2215","","10.1039/c2ay25346a","","","0.71073","MoKα","","0.1057","0.0709","","","0.1762","0.2083","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514934","29.9106","0.0003","29.9106","0.0003","5.9714","0.0001","90","","90","","120","","4626.55","0.1","143.3","","143","","","","","","","","","2","P 32","P 32","145","","","","- C28 H24 -","- C28 H24 -","- C252 H216 -","9","3","","Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Deciphering mechanism of aggregation-induced emission (AIE): Is E‒Z isomerisation involved in an AIE process?","Chemical Science","2012","3","2","493","","10.1039/c1sc00690h","","x-ray","0.7107","MoKα","","0.0544","0.0538","","","0.1339","0.1342","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514935","8.24","0.005","9.982","0.005","16.64","0.005","82.977","0.005","83.088","0.005","73.325","0.005","1296","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Fe N5 O -","- C13 H14 Fe N5 O -","- C52 H56 Fe4 N20 O4 -","4","2","","Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems","Chemical Science","2012","3","2","364","","10.1039/c1sc00582k","","","0.71073","MoKα","","0.0338","0.0293","","","0.0786","0.0822","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514936","10.445","0.005","11.723","0.005","11.03","0.005","90","0.005","100.177","0.005","90","0.005","1329.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Co N5 O -","- C13 H14 Co N5 O -","- C52 H56 Co4 N20 O4 -","4","1","","Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems","Chemical Science","2012","3","2","364","","10.1039/c1sc00582k","","","0.71073","MoKα","","0.0254","0.0243","","","0.0756","0.0763","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514937","11.805","0.002","12.98","0.002","19.363","0.004","73.794","0.003","86.132","0.003","75.907","0.003","2763.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0733","0.0455","","","0.0983","0.1097","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514938","11.839","0.004","13.026","0.005","19.436","0.007","73.818","0.006","86.197","0.007","75.893","0.007","2791.8","1.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0678","0.0454","","","0.108","0.1188","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514939","11.8394","0.0018","13.037","0.002","19.508","0.003","73.852","0.003","86.214","0.003","75.811","0.003","2804","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0568","0.0381","","","0.0902","0.1007","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514940","11.888","0.003","13.106","0.003","19.649","0.004","73.904","0.004","86.251","0.004","75.708","0.004","2850.3","1.1","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0597","0.0401","","","0.0993","0.1117","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514941","11.881","0.003","13.093","0.004","19.706","0.006","73.971","0.005","86.265","0.005","75.654","0.005","2854.4","1.4","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0691","0.0428","","","0.107","0.1229","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514942","21.1077","0.0018","15.5695","0.0013","33.842","0.003","90","","98.773","0.006","90","","10991.6","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Fe3 N6 O4.75 -","- C60 H74 Fe3 N6 O4.75 -","- C480 H592 Fe24 N48 O38 -","8","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.1473","0.0635","","","0.1463","0.1819","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514943","12.403","0.003","20.06","0.004","22.036","0.005","90","","90","","90","","5483","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 Fe3 N6 P3 -","- C65 H69 Fe3 N6 P3 -","- C260 H276 Fe12 N24 P12 -","4","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.1384","0.0625","","","0.0896","0.1096","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514944","8.6711","0.0003","9.4306","0.0004","29.5986","0.0013","90","","90","","90","","2420.39","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N2 O4 -","- C26 H25 F3 N2 O4 -","- C104 H100 F12 N8 O16 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.1087","0.0835","","0.2219","0.1962","0.2218","","","","","","0.9893","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514945","11.9727","0.0003","24.2406","0.0007","10.481","0.0003","90","","107.399","0.001","90","","2902.67","0.14","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 F3 N O6 S -","- C31 H30 F3 N O6 S -","- C124 H120 F12 N4 O24 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.0656","0.0462","","0.1327","0.1132","0.1326","","","","","","0.9241","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514946","10.8509","0.0001","9.3445","0.0001","12.7734","0.0002","90","","107.297","0.0015","90","","1236.6","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 F3 N2 O4 -","- C27 H27 F3 N2 O4 -","- C54 H54 F6 N4 O8 -","2","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0369","0.036","","0.0957","0.0946","0.0957","","","","","","0.9957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514947","9.3165","0.0001","14.3322","0.0001","19.705","0.0001","90","","90","","90","","2631.13","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0239","0.0237","","0.0621","0.0619","0.0621","","","","","","1.0057","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514948","30.7917","0.0004","10.2374","0.0001","11.7082","0.0002","90","","90.481","0.001","90","","3690.61","0.09","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N4 Si -","- C44 H40 N4 Si -","- C176 H160 N16 Si4 -","4","0.5","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0396","0.0366","","","0.1015","0.1043","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514949","21.7477","0.0009","13.4689","0.0006","35.5044","0.0011","90","","90","","90","","10399.9","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 O2 Si -","- C32 H26 O2 Si -","- C512 H416 O32 Si16 -","16","2","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0958","0.0456","","","0.077","0.0847","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514950","20.3587","0.0004","11.0369","0.0003","18.2729","0.0008","90","","93.111","0.002","90","","4099.8","0.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 N2 Si -","- C54 H44 N2 Si -","- C216 H176 N8 Si4 -","4","1","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.5418","CuKα","","0.0485","0.0371","","","0.0902","0.0933","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514951","13.4798","0.0019","24.491","0.003","11.104","0.0012","90","","122.469","0.003","90","","3092.8","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H42 F6 N O6 P -","- C28 H42 F6 N O6 P -","- C112 H168 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0594","0.0503","","","0.1038","0.1096","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514952","13.7552","0.0015","13.8563","0.0015","16.5085","0.0017","90","","96.093","0.003","90","","3128.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 F6 N O6 P -","- C29 H44 F6 N O6 P -","- C116 H176 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0736","0.0581","","","0.1395","0.1481","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514953","8.538","0.005","33.09","0.02","11.751","0.007","90","","97.9","0.02","90","","3288","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F6 N O6 P -","- C30 H46 F6 N O6 P -","- C120 H184 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.121","0.0754","","","0.1873","0.2115","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514954","8.702","0.0007","32.962","0.003","11.4583","0.001","90","","93.616","0.003","90","","3280.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F6 N O7 P -","- C30 H46 F6 N O7 P -","- C120 H184 F24 N4 O28 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0864","0.0597","","","0.1283","0.1396","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514955","15.9763","0.0008","13.6353","0.0007","15.3457","0.0007","90","","104.633","0.002","90","","3234.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 F6 N O6 P -","- C29 H46 F6 N O6 P -","- C116 H184 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0947","0.0685","","","0.163","0.1806","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514956","8.3591","0.001","33.576","0.004","12.1989","0.0015","90","","99.083","0.003","90","","3380.9","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H48 F6 N O7 P -","- C30 H48 F6 N O7 P -","- C120 H192 F24 N4 O28 P4 -","4","2","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.052","0.046","","","0.1085","0.1123","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514957","11.03","0.005","12.159","0.005","12.875","0.006","112.013","0.006","104.449","0.007","96.026","0.008","1511.8","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H16 O S4 -","- C33 H16 O S4 -","- C66 H32 O2 S8 -","2","1","","Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario","Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60","Chemical Science","2012","3","2","498","","10.1039/c1sc00669j","","","0.71073","MoKα","","0.1899","0.0743","","","0.1142","0.124","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514958","23.2637","0.0017","23.2637","0.0017","62.003","0.009","90","","90","","90","","33556","6","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H46 Br2 N4 O2 -","- C48 H46 Br2 N4 O2 -","- C1536 H1472 Br64 N128 O64 -","32","1","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1219","0.0762","","","0.1763","0.2003","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514959","17.198","0.004","17.198","0.004","15.807","0.007","90","","90","","90","","4675","3","153","2","153","2","","","","","","","","4","I -4 c 2","I -4 -2c","120","","","","- C54 H52 N4 O2 -","- C54 H52 N4 O2 -","- C216 H208 N16 O8 -","4","0.25","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1032","0.0745","","","0.1881","0.2068","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514960","13.7494","0.0019","13.7494","0.0019","35.336","0.003","90","","90","","90","","6680.1","1.4","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate dihydrate","","- C26 H30 B2 F8 Fe N10 O2 -","- C26 H30 B2 F8 Fe N10 O2 -","- C208 H240 B16 F64 Fe8 N80 O16 -","8","0.5","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0771","0.0428","","","0.1034","0.1211","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514961","9.7481","0.0002","9.7481","0.0002","17.6848","0.0005","90","","90","","90","","1680.51","0.07","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.1048","0.0909","","","0.2721","0.2881","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514962","9.8046","0.0005","9.8046","0.0005","17.8869","0.0013","90","","90","","90","","1719.47","0.18","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0952","0.0797","","","0.2612","0.2717","","","","","","2.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514963","10.064","0.0004","11.6546","0.0005","12.3944","0.0006","90","","90","","90","","1453.76","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-bis(5-methylpyrazol-3-yl)pyridine methanol solvate","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C56 H68 N20 O4 -","4","1","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0759","0.0646","","","0.1704","0.1836","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514964","7.4169","0.0001","8.3781","0.0001","11.0339","0.0002","70.296","0.001","73.131","0.001","71.441","0.001","598.943","0.016","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 B F2 N3 -","- C13 H12 B F2 N3 -","- C26 H24 B2 F4 N6 -","2","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","1.54178","CuKα","","0.038","0.0368","","","0.0968","0.0981","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514965","12.6822","0.0013","6.9729","0.0007","13.8314","0.0014","90","","95.138","0.001","90","","1218.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B F2 N4 -","- C13 H9 B F2 N4 -","- C52 H36 B4 F8 N16 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0556","0.0444","","","0.1172","0.1288","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514966","13.589","0.0018","11.4482","0.0015","8.7135","0.0011","90","","105.519","0.001","90","","1306.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F2 N3 O -","- C14 H12 B F2 N3 O -","- C56 H48 B4 F8 N12 O4 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.04","0.0315","","","0.0758","0.0809","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514967","14.589","0.003","11.456","0.002","8.6272","0.0015","90","","90.271","0.002","90","","1441.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 B F2 N3 O2 -","- C15 H14 B F2 N3 O2 -","- C60 H56 B4 F8 N12 O8 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0834","0.0424","","","0.0921","0.1099","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514968","7.7978","0.0007","8.4159","0.0011","25.529","0.002","91.862","0.002","95.446","0.001","117.248","0.001","1477.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C68 H44 B4 F8 N16 -","4","2","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0812","0.0492","","","0.1187","0.135","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514969","14.883","0.009","11.843","0.01","19.893","0.01","90","","118.38","0.04","90","","3085","4","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C56 H48 Ag2 F12 N12 O4 P2 -","- C56 H48 Ag2 F12 N12 O4 P2 -","- C112 H96 Ag4 F24 N24 O8 P4 -","2","0.5","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.71073","MoKα","","0.2709","0.0982","","","0.2019","0.2388","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514970","22.2009","0.0005","22.2009","0.0005","12.58554","0.00019","90","","90","","120","","5372.09","0.19","150","","150","","","","","","","","","8","P 6 2 2","P 6 2","177","","","","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C168 H144 Ag6 B3 Cl3 F12 N36 O12 -","3","0.25","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0769","0.0688","","","0.1874","0.1963","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514971","17.3366","0.0004","17.3366","0.0004","18.9739","0.0003","90","","90","","120","","4938.73","0.18","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0522","0.035","","","0.1043","0.1095","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1514972","17.3399","0.0003","17.3399","0.0003","18.6738","0.0003","90","","90","","120","","4862.47","0.14","567.3","","567.3","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0476","0.0363","","","0.112","0.1156","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514973","17.2761","0.0002","17.2761","0.0002","18.7097","0.0002","90","","90","","120","","4836.03","0.09","150","","150","","","","","","","","","5","P 63","P 6c","173","","","","- C90 H84 Ag3 N18 O6 -","- C90 H84 Ag3 N18 O6 -","- C180 H168 Ag6 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0462","0.0409","","","0.1165","0.1202","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514974","17.4164","0.0004","17.4164","0.0004","18.8187","0.0004","90","","90","","120","","4943.53","0.19","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Au3 B3 F12 N18 O6 -","- C90 H84 Au3 B3 F12 N18 O6 -","- C180 H168 Au6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0556","0.0363","","","0.0963","0.1002","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514975","12.6553","0.0003","13.0092","0.0005","15.1663","0.0004","104.239","0.003","112.9","0.003","99.765","0.003","2128.75","0.14","150.1","","150.1","","","","","","","","","8","P 1","P 1","1","","","","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","1","1","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0413","0.0391","","","0.1015","0.1045","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514976","7.95486","0.00005","10.00542","0.00006","20.80472","0.00017","90","","90","","90","","1655.88","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-Ethyl (2R,4S-dinitro-3R-phenyl-1S-cyclohexyl) acetate","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C64 H80 N8 O24 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.5418","CuKα","","0.0214","0.0211","","","0.0559","0.0562","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514977","5.5811","0.0005","12.5943","0.0015","26.723","0.004","90","","90","","90","","1878.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2(R)-[3(R)-(4'-methoxy-phenyl)-2(R),4(S)-dinitro-1(R)cyclohexyl] propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0992","0.0512","","","0.0983","0.1169","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514978","10.1928","0.0005","6.6518","0.0004","12.7044","0.0006","90","","93.098","0.005","90","","860.11","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl 2-[(1S,2R,3R,4S)-2-methyl-2,4-dinitro-3- phenylcyclohexyl]acetate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","0.71073","MoKα","","0.0831","0.0608","","","0.1323","0.1457","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514979","12.8847","0.0013","5.6274","0.0005","25.767","0.002","90","","92.776","0.009","90","","1866.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (2R)-2-[(1R,2R,3R,4S)-3-(4-methoxyphenyl)- 2,4-dinitrocyclohexyl]propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0793","0.0527","","","0.1283","0.1433","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514980","14.6379","0.0006","11.5625","0.0005","18.7162","0.0008","90","","96.152","0.002","90","","3149.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Fe O6 Pt S4 -","- C31 H28 Fe O6 Pt S4 -","- C124 H112 Fe4 O24 Pt4 S16 -","4","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0285","0.0266","","","0.0724","0.0741","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514981","22.814","0.0008","16.6711","0.0007","23.2989","0.0014","90","","92.135","0.002","90","","8855.2","0.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C47 H60 Co O9.75 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C224 H176 Co8 O40 Pt8 S32 -","8","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54184","CuKα","","0.0434","0.034","","","0.0964","0.1003","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514982","11.3784","0.0007","11.822","0.0008","22.0722","0.0014","90","","90.429","0.001","90","","2969","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H22 Co O5 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C112 H88 Co4 O20 Pt4 S16 -","4","2","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","0.71073","MoKα","","0.0279","0.0262","","","0.0561","0.0567","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514983","19.0697","0.0015","19.0697","0.0015","22.6005","0.0019","90","","90","","90","","8218.7","1.1","293","2","293","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C32.35 H29.7 Ni O6.09 Pt S4 -","- C32.352 H29.704 Ni O6.088 Pt S4 -","- C258.816 H237.632 Ni8 O48.704 Pt8 S32 -","8","0.5","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0334","0.033","","","0.1064","0.1073","","","","","","1.131","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514984","8.0671","0.0001","12.5459","0.0001","15.4229","0.0002","83.045","0.001","83.617","0.001","81.899","0.001","1526.94","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1635","","","- C35 H41 B O7 -","- C35 H41 B O7 -","- C70 H82 B2 O14 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0364","","","0.0906","0.0954","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514985","11.4194","0.0001","10.9563","0.0001","12.2162","0.0001","90","","104.877","0.001","90","","1477.19","0.02","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","RajanBabu 1762","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C56 H70 N2 O14 Si2 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0599","0.0426","","","0.1043","0.1138","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514986","10.6948","0.0001","14.0253","0.0002","18.4358","0.0002","90","","90","","90","","2765.33","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1763","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C112 H140 N4 O28 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0397","","","0.0956","0.0978","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514987","10.3358","0.0001","10.7754","0.0001","13.7612","0.0001","103.096","0.001","100.398","0.001","91.195","0.001","1465.19","0.02","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1761","","","- C28 H36 O6 Si2 -","- C28 H36 O6 Si2 -","- C56 H72 O12 Si4 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0649","0.04","","","0.0983","0.1088","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514988","10.1179","0.0001","13.7992","0.0001","21.5342","0.0002","90","","90","","90","","3006.58","0.05","210","2","210","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1842","","","- C29 H37 N O8 Si -","- C29 H37 N O8 Si -","- C116 H148 N4 O32 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0609","0.0395","","","0.0878","0.0958","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514989","10.8449","0.0001","13.7385","0.0001","14.5994","0.0001","78.148","0.001","75.225","0.001","70.556","0.001","1965.93","0.03","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","RajanBabu 1793","","","- C38 H47 B O8 Sn -","- C37.978 H46.89 B O8 Sn0.989 -","- C75.956 H93.78 B2 O16 Sn1.978 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.074","0.0515","","","0.1566","0.1676","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514990","10.2127","0.0001","10.942","0.0001","28.6657","0.0003","90","","98.392","0.001","90","","3169.02","0.05","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","RajanBabu 1782","","","- C35 H39 B O8 -","- C35 H39 B O8 -","- C140 H156 B4 O32 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0999","0.0454","","","0.1082","0.1259","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514991","16.1008","0.0013","16.9634","0.0013","25.931","0.002","90","","90","","90","","7082.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[SiP(iPr)3]Ni-CH3","","","- C37 H57 Ni P3 Si -","- C37 H57 Ni P3 Si -","- C296 H456 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0482","0.0356","","","0.0848","0.0939","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514992","47.534","0.004","13.9003","0.0011","30.423","0.002","90","","128.63","0.001","90","","15703","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{[SiP(iPr)3]Ni-N2}{BArF}","","","- C77.75 H75.75 B F24 N2 Ni P3 Si -","- C79.064 H77.064 B F24 N2 Ni P3 Si -","- C632.512 H616.512 B8 F192 N16 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.068","0.0464","","","0.114","0.1291","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514993","12.8286","0.0008","14.9103","0.001","38.095","0.003","90","","96.779","0.001","90","","7235.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","{[SiP(iPr)3]Ni-NCMe}{BArF}","","","- C70 H69 B F24 N Ni P3 Si -","- C70 H69 B F24 N Ni P3 Si -","- C280 H276 B4 F96 N4 Ni4 P12 Si4 -","4","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0708","0.0479","","","0.1096","0.1239","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514994","26.3375","0.0011","19.5435","0.0008","27.2078","0.001","90","","90","","90","","14004.6","1","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","{[SiP(iPr)3]Ni-CO}{BArF}","","","- C69 H66 B Cl F24 Ni O P3 Si -","- C68.873 H66 B Cl0.127 F24 Ni O0.873 P3 Si -","- C550.984 H528 B8 Cl1.016 F192 Ni8 O6.984 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0832","0.054","","","0.1278","0.1443","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514995","10.9905","0.0007","11.1304","0.0007","16.8144","0.0011","78.237","0.003","79.052","0.003","61.648","0.002","1761.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[SiP(iPr)3]Ni-H","","","- C36 H55 Cl Ni P3 Si -","- C36 H54.974 Cl0.026 Ni P3 Si -","- C72 H109.948 Cl0.052 Ni2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.075","0.0462","","","0.1045","0.1168","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514996","13.2952","0.0006","15.4595","0.0007","20.2687","0.001","74.996","0.003","84.981","0.003","83.775","0.003","3992.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Ni-N2}{BArF}","","","- C86 H54 B F24 N2 Ni P3 Si -","- C86 H54 B F24 N2 Ni P3 Si -","- C172 H108 B2 F48 N4 Ni2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0963","0.0526","","","0.1037","0.1203","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514997","13.2892","0.0005","15.457","0.0006","20.2883","0.0007","74.851","0.001","85.107","0.001","83.842","0.001","3992.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Ni-CO}{BArF}","","","- C87 H54 B F24 Ni O P3 Si -","- C87 H54 B F23.974 Ni O P3 Si -","- C174 H108 B2 F47.948 Ni2 O2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0733","0.047","","","0.114","0.1289","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514998","28.982","0.006","11.074","0.002","9.7067","0.0019","90","","101.66","0.003","90","","3051","1","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 N2 -","- C37 H32 Cl2 N2 -","- C148 H128 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2865","0.0821","","","0.1341","0.1812","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514999","32.92","0.013","11.005","0.004","9.624","0.004","90","","106.563","0.006","90","","3342","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H35 Cl2 N2 -","- C41 H35 Cl2 N2 -","- C164 H140 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2737","0.0837","","","0.19","0.2638","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515000","10.7874","0.0015","6.1038","0.0008","11.5494","0.0016","90","","104.177","0.002","90","","737.3","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.0441","0.0409","","","0.1187","0.1224","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515001","6.2483","0.001","7.152","0.0011","16.741","0.003","101.417","0.002","91.557","0.003","92.041","0.002","732.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","1","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.1291","0.0503","","","0.0926","0.1143","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515002","12.5981","0.0009","6.0734","0.0004","13.4724","0.0009","90","","117.737","0.001","90","","912.37","0.11","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.0685","0.0424","","","0.1074","0.1236","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515003","22.398","0.003","11.1946","0.0017","9.7652","0.0014","90","","95.645","0.002","90","","2436.6","0.6","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Cl2 N2 -","- C29 H23 Cl2 N2 -","- C116 H92 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.1627","0.0584","","","0.1095","0.1423","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515004","25.388","0.011","11.126","0.005","9.788","0.004","90","","94.187","0.007","90","","2757","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Cl2 N2 -","- C33 H28 Cl2 N2 -","- C132 H112 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2301","0.0843","","","0.1597","0.2065","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515005","9.5229","0.0013","39.529","0.005","11.6647","0.0016","90","","98.282","0.003","90","","4345.2","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl3 N7 O7 -","- C43 H41 N7 O7 -","- C172 H164 N28 O28 -","4","1","","Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds","Chemical Science","2012","3","4","1105","","10.1039/c2sc00975g","","","0.71073","MoKα","","0.1361","0.0808","","","0.1968","0.2255","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515006","18.9443","0.0009","21.565","0.0011","17.9908","0.0009","90","","99.909","0.003","90","","7240.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Nb2 O6 P4 -","- C72 H102 Nb2 O6 P4.004 -","- C288 H408 Nb8 O24 P16.016 -","4","1","","Velian, Alexandra; Cummins, Christopher C.","Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process","Chemical Science","2012","3","4","1003","","10.1039/c2sc00931e","","","1.54178","CuKα","","0.0444","0.0368","","","0.091","0.0968","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515007","11.79263","0.0001","21.62584","0.00018","22.16086","0.00019","90","","102.592","0.0009","90","","5515.64","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 Co3 I4 N4 O5 -","- C46 H78 Co3 I4 N4 O5 -","- C184 H312 Co12 I16 N16 O20 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0403","0.0246","","","0.053","0.0548","","","","","","0.998","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515008","11.69346","0.00015","20.8757","0.0003","22.0206","0.0002","90","","102.034","0.0012","90","","5257.3","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 Br4 Co3 N4 O5 -","- C46 H78 Br4 Co3 N4 O5 -","- C184 H312 Br16 Co12 N16 O20 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0735","0.0323","","","0.0664","0.0702","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515009","23.2374","0.0005","30.6555","0.0006","14.1318","0.0004","90","","90","","90","","10066.8","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C302 H492 Cl80 Co16 K4 N32 O16 -","4","0.5","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0757","0.0572","","","0.1392","0.1437","","","","","","1.151","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515010","11.78965","0.00015","31.1301","0.0004","27.4398","0.0003","90","","96.1289","0.0013","90","","10013.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H124 Cl21 Co4 K N8 O4 -","- C76 H124 Cl21 Co4 K N8 O4 -","- C304 H496 Cl84 Co16 K4 N32 O16 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.1075","0.0803","","","0.1979","0.2113","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515011","14.4425","0.0002","21.581","0.0003","16.8129","0.0002","90","","105.087","0.0014","90","","5059.69","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 Cl7 Co2 N5 O2 -","- C42 H74 Cl7 Co2 N5 O2 -","- C168 H296 Cl28 Co8 N20 O8 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0572","0.0322","","","0.0803","0.0844","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515012","12.4636","0.0004","15.6121","0.0006","15.8197","0.0005","69.978","0.003","71.369","0.003","85.244","0.003","2739.42","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H86 Cl3 Co2 N6 O3 -","- C49.996 H85.992 Cl3 Co2 N6 O2.999 -","- C99.992 H171.984 Cl6 Co4 N12 O5.998 -","2","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0614","0.0353","","","0.0877","0.0918","","","","","","0.927","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515013","15.09","0.0002","20.2875","0.0003","15.702","0.0002","90","","104.082","0.0015","90","","4662.54","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Cl3 Co2 N7 O2 -","- C42 H70 Cl3 Co2 N7 O2 -","- C168 H280 Cl12 Co8 N28 O8 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.0469","0.0388","","","0.1043","0.1072","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515014","11.3806","0.0004","13.8405","0.0004","15.7508","0.0006","96.278","0.003","96.347","0.003","91.87","0.003","2448.45","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Cl2 Co2 N6 O4 -","- C46 H76 Cl2 Co2 N6 O4 -","- C92 H152 Cl4 Co4 N12 O8 -","2","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.0883","0.0593","","","0.1514","0.1654","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515015","35.3728","0.0013","20.4934","0.0004","19.9836","0.0006","90","","124.046","0.005","90","","12003.2","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H73 Cl11 Co2 N6 O2 -","- C45.5 H73 Cl11 Co2 N6 O2 -","- C364 H584 Cl88 Co16 N48 O16 -","8","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0767","0.0434","","","0.1258","0.1319","","","","","","1.013","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515016","18.1726","0.0003","18.1726","0.0003","7.0372","0.0002","90","","90","","90","","2323.99","0.09","123","2","123","2","","","","","","","synthesis as described","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C24 H28 Cl8 I4 N8 O8 -","- C24 H28 Cl8 I4 N8 O8 -","- C48 H56 Cl16 I8 N16 O16 -","2","0.125","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.0981","0.1007","","","","","","1.23","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515017","26.3584","0.0007","7.034","0.0002","21.0654","0.0004","90","","109.216","0.001","90","","3688.03","0.16","123","2","123","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 Cl3 I4 N8 O8 -","- C23 H29 Cl3 I4 N8 O8 -","- C92 H116 Cl12 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0389","0.032","","","0.068","0.0705","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515018","17.2587","0.0003","17.2587","0.0003","15.5855","0.0004","90","","90","","90","","4642.34","0.16","123","2","123","2","","","","","","","synthesis as described","6","P 43 21 2","P 4nw 2abw","96","","","","- C26 H36 Cl8 I4 N8 O8 -","- C26 H36 Cl8 I4 N8 O8 -","- C104 H144 Cl32 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0436","0.0339","","","0.0612","0.0641","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515019","16.8566","0.0002","16.8566","0.0002","14.5819","0.0003","90","","90","","90","","4143.37","0.11","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C26 H40 I4 N12 O16 -","- C26 H40 I4 N12 O16 -","- C104 H160 I16 N48 O64 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0308","0.026","","","0.0477","0.0488","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515020","26.0769","0.0005","7.0625","0.0001","20.9842","0.0004","90","","108.622","0.001","90","","3662.29","0.11","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 I4 N8 O8 -","- C29 H36 I4 N8 O8 -","- C116 H144 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0316","0.0259","","","0.053","0.055","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515022","16.7294","0.0013","16.6323","0.0007","29.5917","0.0011","90","","90.954","0.005","90","","8232.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H77 N12 O7 U3 -","- C90 H77 N12 O7 U3 -","- C360 H308 N48 O28 U12 -","4","1","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.1377","0.0768","","","0.1393","0.1614","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515023","7.2599","0.0004","12.1368","0.0009","16.1046","0.0008","99.775","0.005","90.893","0.004","95.133","0.005","1392.11","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Cl3 N4 O2 U -","- C29 H23 Cl3 N4 O2 U -","- C58 H46 Cl6 N8 O4 U2 -","2","1","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.0957","0.0759","","","0.1862","0.2005","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515024","27.1234","0.0013","27.366","0.0013","28.2322","0.0016","90","","90.531","0.004","90","","20954.7","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H44.25 N8.75 O5 U2 -","- C57.5 H44.25 N8.75 O5 U2 -","- C920 H708 N140 O80 U32 -","16","2","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.1201","0.0757","","","0.1494","0.1722","","","","","","1.082","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515025","11.172","0.003","34.082","0.009","12.621","0.003","90","","99.244","0.003","90","","4743","2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2-Cl2","","","- C52 H66 Cl2 Hg N O Sb -","- C52 H66 Cl2 Hg N O Sb -","- C208 H264 Cl8 Hg4 N4 O4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0478","0.0344","","","0.0729","0.079","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515026","18.171","0.005","28.753","0.008","13.422","0.007","90","","130.397","0.002","90","","5341","3","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","2-DMAP3","","","- C57 H60 F6 Hg N6 O P Sb -","- C57 H60 F6 Hg N6 O P Sb -","- C228 H240 F24 Hg4 N24 O4 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0286","0.0267","","","0.0611","0.0621","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515027","12.689","0.008","13.651","0.009","16.06","0.01","97.184","0.007","95.058","0.007","102.804","0.007","2672","3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","2-F","","","- C68 H52 F2 Hg2 O Sb2 -","- C68 H52 F2 Hg2 O Sb2 -","- C136 H104 F4 Hg4 O2 Sb4 -","2","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0476","0.0352","","","0.0832","0.0907","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515028","13.2206","0.0015","21.054","0.002","13.5998","0.0015","90","","118.154","0.001","90","","3337.6","0.6","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2-THF","","","- C38 H34 F6 Hg O1.5 P Sb -","- C38 H34 F6 Hg O1.5 P Sb -","- C152 H136 F24 Hg4 O6 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0231","0.0212","","","0.0503","0.0512","","","","","","1.008","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515029","11.0114","0.0018","14.456","0.003","15.04","0.003","86.364","0.003","88.837","0.003","84.021","0.003","2376","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 I N4 O Pd S2 -","- C18 H29 I N4 O Pd S2 -","- C72 H116 I4 N16 O4 Pd4 S8 -","4","2","","Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen","“Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes","Chemical Science","2012","3","4","1211","","10.1039/c2sc00888b","","","0.71073","MoKα","","0.0853","0.0487","","","0.1042","0.1193","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515030","9.4934","0.0009","12.8359","0.0012","12.9362","0.0012","85.96","0.002","70.27","0.002","84.36","0.002","1475.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N5 Pd S3 -","- C28 H33 N5 Pd S3 -","- C56 H66 N10 Pd2 S6 -","2","1","","Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen","“Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes","Chemical Science","2012","3","4","1211","","10.1039/c2sc00888b","","","0.71073","MoKα","","0.0647","0.0524","","","0.1356","0.1422","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515031","22.414","0.009","23.022","0.009","23.782","0.009","95.8178","0.0002","116.725","0.003","114.544","0.004","9322","6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H178 Cu5 Ga30 N23 S54 -","- C52 Cu4.96 Ga30.04 N12 S54 -","- C104 Cu9.92 Ga60.08 N24 S108 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.093","0.0753","","","0.1712","0.1816","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515032","22.168","0.005","22.846","0.005","24.663","0.007","115.174","0.008","111.389","0.014","96.407","0.011","9985","5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C97.5 H192 Cl Cu5 Ga30 N24 S53.5 -","- C66 Cl Cu4.96 Ga30.04 N15 S53.5 -","- C132 Cl2 Cu9.92 Ga60.08 N30 S107 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.1058","0.0822","","","0.1456","0.1548","","","","","","1.012","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515033","23.617","0.002","40.808","0.004","46.252","0.005","90","","94.748","0.002","90","","44423","7","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H210 Cl2 Cu5 In30 N25 S54 -","- C81 Cl2 Cu4.999 In30.001 N18 S54 -","- C648 Cl16 Cu39.992 In240.008 N144 S432 -","8","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.0732","0.0652","","","0.1593","0.1653","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515034","23.018","0.003","23.018","0.003","42.321","0.007","90","","90","","120","","19419","5","123","2","123","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C90 H186 Cu5 Ga30 N23 S56 -","- C47.12 Cu4.96 Ga30.04 N10.47 S56 -","- C188.48 Cu19.84 Ga120.16 N41.88 S224 -","4","0.333333","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.0891","0.0797","","","0.1516","0.1568","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515035","13.831","0.006","16.175","0.007","18.572","0.009","90","","111.6","0.06","90","","3863","3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Fe N2 O9 -","- C42 H46 Fe N2 O9 -","- C168 H184 Fe4 N8 O36 -","4","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","MoKα","","0.1588","0.0841","","0.2217","0.1624","0.2217","","","","","","1.0844","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515036","11.106","0.003","17.783","0.004","19.841","0.005","95.61","0.04","100.94","0.03","106.08","0.03","3649.6","1.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H84 Cl Fe N5 O17 -","- C74 H84 Cl Fe N5 O17 -","- C148 H168 Cl2 Fe2 N10 O34 -","2","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","Synchrotron","","0.2361","0.1631","","0.3955","0.2994","0.3955","","","","","","0.8743","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515037","15.7014","0.0011","18.6485","0.0008","28.3126","0.0016","98.202","0.004","99.703","0.005","102.308","0.005","7845.3","0.8","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C152 H172 Cl14 Fe2 N10 O34 -","- C152 H172 Cl14 Fe2 N10 O34 -","- C304 H344 Cl28 Fe4 N20 O68 -","2","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","1.54184","CuKα","","0.1313","0.0813","","0.1713","0.1301","0.1707","","","","","","0.9936","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515038","14.26","0.001","39.5","0.001","14.26","0.001","90","","95.55","0.01","90","","7994.6","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 Cl Fe N5 O17 S2 -","- C76 H92 Cl Fe N5 O17 S2 -","- C304 H368 Cl4 Fe4 N20 O68 S8 -","4","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","Synchrotron","","0.1922","0.173","","0.3951","0.3682","0.3951","","","","","","1.0676","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515039","19.5557","0.0018","20.1957","0.0019","30.683","0.003","99.204","0.001","101.673","0.002","95.081","0.002","11622.6","1.9","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C93 H117 F6 N7 O8 Pt2 S2 -","- C93 H117 F6 N7 O8 Pt2 S2 -","- C372 H468 F24 N28 O32 Pt8 S8 -","4","2","","Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI)","Chemical Science","2012","3","4","1185","","10.1039/c2sc00935h","","","0.71073","MoKα","","0.1284","0.0626","","","0.158","0.1833","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515040","11.2309","0.0006","23.8183","0.0012","20.3932","0.0011","90","","102.308","0.005","90","","5329.8","0.5","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0811","0.0688","","0.0944","0.0808","0.0756","","","","","","1.0638","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515041","11.3478","0.0013","24.0164","0.0016","20.6607","0.0017","90","","102.06","0.009","90","","5506.5","0.9","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Gd6 N11 O54 -","- C69 H93 Cu2 Gd6 N11 O54 -","- C138 H186 Cu4 Gd12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0878","0.0697","","0.0866","0.073","0.0695","","","","","","1.0001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515042","11.259","0.005","24.017","0.005","20.506","0.005","90","","101.793","0.005","90","","5428","3","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0765","0.0589","","0.0723","0.0602","0.0576","","","","","","1.0794","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515043","11.36","","24","","20.66","","90","","101.988","0.0001","90","","5509.9","0.002","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 N11 O54 Y6 -","- C69 H93 Cu2 N11 O54 Y6 -","- C138 H186 Cu4 N22 O108 Y12 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.2348","0.1076","","0.1178","0.1011","0.1004","","","","","","1.1358","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515044","9.5107","0.0004","10.1897","0.0005","27.7823","0.0013","90","","90","","90","","2692.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl N3 O5 -","- C29 H26 Cl N3 O5 -","- C116 H104 Cl4 N12 O20 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.051","0.0466","","","0.1076","0.1099","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515045","21.316","0.002","6.3205","0.0006","17.4926","0.0017","90","","112.859","0.002","90","","2171.6","0.4","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 Br N2 O4 -","- C21 H21 Br N2 O4 -","- C84 H84 Br4 N8 O16 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.0884","0.0479","","","0.1018","0.1286","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515046","26.3208","0.0013","15.7874","0.0015","18.718","0.003","90","","115.474","0.009","90","","7021.8","1.5","122","1","122","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cr Dy2 F38 N5 O16 -","- C50 H28 Cr Dy2 F38 N5 O16 -","- C200 H112 Cr4 Dy8 F152 N20 O64 -","4","0.5","","Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald","Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster","Chemical Science","2012","3","4","1024","","10.1039/c2sc00794k","","","0.71073","MoKα","","0.0619","0.0414","","","0.0954","0.1073","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515047","12.515","0.005","19.836","0.007","21.392","0.006","85.52","0.03","81.35","0.04","86.229","0.019","5226","3","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H24 Cr Dy F26 N4 O8 -","- C40 H24 Cr Dy F26 N4 O8 -","- C160 H96 Cr4 Dy4 F104 N16 O32 -","4","2","","Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald","Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster","Chemical Science","2012","3","4","1024","","10.1039/c2sc00794k","","","0.71073","MoKα","","0.0727","0.0426","","","0.087","0.0946","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515048","48.8463","0.0007","48.8463","0.0007","48.8463","0.0007","90","","90","","90","","116545","3","123","2","123","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C348 H354 Cl6 Co24 N6 O72 S24 -","- C336 H312 Cl6 Co24 O72 S24 -","- C2688 H2496 Cl48 Co192 O576 S192 -","8","0.166667","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun","Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges","Chemical Science","2012","3","7","2321","","10.1039/c2sc20264f","","","0.71073","MoKα","","0.1172","0.092","","","0.2329","0.2494","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515049","12.5958","0.0016","15.8","0.002","20.902","0.003","76.137","0.002","76.659","0.002","83.229","0.002","3921","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)YH2)2(THF)3","","","- C74 H106 N4 O3 Y2 -","- C74 H106 N4 O3 Y2 -","- C148 H212 N8 O6 Y4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0935","0.058","","","0.1398","0.1518","","","","","","0.953","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515050","13.2117","0.0018","14.827","0.002","23.057","0.003","81.78","0.002","73.628","0.002","66.103","0.002","3959.9","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)LuH2)2(THF)3","","","- C81 H114 Lu2 N4 O3 -","- C81 H114 Lu2 N4 O3 -","- C162 H228 Lu4 N8 O6 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.062","0.0498","","","0.1252","0.1317","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515051","13.0663","0.0019","38.724","0.006","15.781","0.002","90","","93.796","0.003","90","","7967","2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","((PhNCN)2Y2H3(OC4H9))(THF)3","","","- C81 H123 N4 O4.5 Si Y2 -","- C81 H123 N4 O4.5 Si Y2 -","- C324 H492 N16 O18 Si4 Y8 -","4","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.1443","0.0629","","","0.1162","0.143","","","","","","0.966","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515052","11.898","0.003","23.121","0.006","35.564","0.009","90","","90.028","0.004","90","","9783","4","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((PhNCN)YH)2(CH2NAr*)(THF)3","","","- C83 H115 N5 O3 Y2 -","- C83 H115 N5 O3 Y2 -","- C332 H460 N20 O12 Y8 -","4","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0881","0.0541","","","0.1301","0.1407","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515053","13.437","0.002","14.939","0.003","22.326","0.004","107.399","0.003","102.549","0.003","100.158","0.003","4031.9","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)2Lu2H3(THF)3)(PhCCHPh)","","","- C88 H116 Lu2 N4 O3 -","- C88 H116 Lu2 N4 O3 -","- C176 H232 Lu4 N8 O6 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.071","0.0452","","","0.0937","0.1015","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515054","12.53","0.005","16.733","0.005","22.194","0.005","107.824","0.005","103.291","0.005","91.97","0.005","4284","2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","(PhNCNLuH(THF))2(PhCHCHPh)","","","- C84 H108 Lu2 N4 O2 -","- C84 H108 Lu2 N4 O2 -","- C168 H216 Lu4 N8 O4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0756","0.0475","","","0.1006","0.1081","","","","","","0.928","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515055","15.161","0.002","17.449","0.003","18.27","0.003","76.958","0.003","76.864","0.003","70.969","0.003","4388.8","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)LuH)2(THF)(PhCHCHPh)","","","- C80 H100 Lu2 N4 O -","- C80 H100 Lu2 N4 O -","- C160 H200 Lu4 N8 O2 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0667","0.0445","","","0.0844","0.0895","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515056","13.731","0.003","15.277","0.003","22.821","0.005","97.855","0.003","98.334","0.003","99.894","0.003","4601.6","1.7","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((PhNCN)YH(THF))2(PhCHCCCHPh)","","","- C86 H108 N4 O2 Y2 -","- C86 H108 N4 O2 Y2 -","- C172 H216 N8 O4 Y4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0727","0.0475","","","0.1089","0.1171","","","","","","0.944","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515057","19.3772","0.0008","34.3744","0.001","20.7308","0.0007","90","","115.432","0.002","90","","12470.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H0 Co5 O25 -","- C159 Co5 O25 -","- C318 Co10 O50 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.0912","0.0602","","","0.1493","0.1655","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515058","20.6536","0.0003","33.4974","0.0005","20.7926","0.0003","90","","118.619","0.001","90","","12627.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H O24 Zn4 -","- C159 O24 Zn4 -","- C318 O48 Zn8 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.1038","0.0868","","","0.2131","0.2226","","","","","","1.32","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515059","10.5431","0.0011","9.835","0.0012","12.1245","0.001","90","","92.891","0.003","90","","1255.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O4 S -","- C10 H18 N2 O4 S -","- C40 H72 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.1069","0.0724","","","0.181","0.2067","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515060","10.1825","0.0006","21.4793","0.0014","20.4614","0.0012","90","","103.9","0.002","90","","4344.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N2 O6 S -","- C19 H32 N2 O6 S -","- C152 H256 N16 O48 S8 -","8","2","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0793","0.0613","","","0.1464","0.1554","","","","","","1.113","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515061","5.8032","0.0008","20.518","0.003","12.8411","0.0017","90","","97.101","0.004","90","","1517.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 S -","- C15 H20 N2 O4 S -","- C60 H80 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0435","0.0349","","","0.0869","0.0908","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515062","6.5173","0.0006","21.874","0.002","15.6036","0.0013","90","","90.991","0.003","90","","2224.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0691","0.0414","","","0.0965","0.1074","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515063","13.355","0.003","10.423","0.002","11.32","0.002","90","","107.797","0.007","90","","1500.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O4 S -","- C13 H22 N2 O4 S -","- C52 H88 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0811","0.0498","","","0.1171","0.1298","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515064","15.6077","0.0013","24.196","0.002","38.766","0.003","90","","90","","90","","14640","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C101.5 H146.5 O96 Pb14 -","- C102 H135 O96 Pb14 -","- C408 H540 O384 Pb56 -","4","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0344","0.0285","","","0.0609","0.063","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515065","20.126","0.003","18.866","0.003","22.188","0.004","90","","94.783","0.002","90","","8395","2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C96 H128 O89 Pb16 -","- C96 H128 O89 Pb16 -","- C192 H256 O178 Pb32 -","2","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0707","0.0588","","","0.1516","0.1613","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515066","9.58","0.0019","16.55","0.003","7.69","0.0015","90","","112.13","0.03","90","","1129.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Butyl-linked bis-thymine propanoate","Butyl-linked bis-thymine propanoate","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C44 H60 N8 O16 -","2","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.71253","synchrotron","","0.0468","0.0446","","","0.1147","0.1164","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515067","22.4706","0.0005","9.36","0.0019","16.0501","0.0003","90","","131.959","0.003","90","","2510.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hexyl-linked bis-thymine propanoate","Hexyl-linked bis-thymine propanoate","","- C24 H36 N4 O9 -","- C24 H36 N4 O9 -","- C96 H144 N16 O36 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710699","Synchrotron","","0.0498","0.0459","","","0.1191","0.1217","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515068","22.26","0.003","22.26","0.003","4.77","0.001","90","","90","","90","","2363.6","0.7","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","Butyl-linked bis-thymine propamide","Butyl-linked bis-thymine propamide","","- C20 H30 N6 O7 -","- C20 H30 N6 O7 -","- C80 H120 N24 O28 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710702","synchrotron","","0.0844","0.0574","","","0.1452","0.1613","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515069","9.824","0.004","20.306","0.008","36.358","0.013","90","","90","","90","","7253","5","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C84 H94 O12 -","- C84 H94 O12 -","- C336 H376 O48 -","4","1","","Ishii, Yuuki; Nakanishi, Yusuke; Omachi, Haruka; Matsuura, Sanae; Matsui, Katsuma; Shinohara, Hisanori; Segawa, Yasutomo; Itami, Kenichiro","Size-selective synthesis of [9]‒[11] and [13]cycloparaphenylenes","Chemical Science","2012","3","7","2340","","10.1039/c2sc20343j","","","0.71075","MoKα","","0.1016","0.0877","","","0.2429","0.2575","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515070","12.565","0.002","29.618","0.005","9.858","0.002","90","","105.695","0.003","90","","3531.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H31 Co N3 O9.5 -","- C32.75 H24 Co N3 O7.75 -","- C131 H96 Co4 N12 O31 -","4","1","","Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin","Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework","Chemical Science","2012","3","10","2993","","10.1039/c2sc20443f","","","0.71073","MoKα","","0.167","0.114","","","0.298","0.354","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515071","10.09","0.002","16.362","0.003","24.453","0.005","106.75","0.03","92.97","0.03","103.16","0.03","3734.2","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 Co2 N10 O18 -","- C60 H32 Co2 N6 O12 -","- C120 H64 Co4 N12 O24 -","2","1","","Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin","Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework","Chemical Science","2012","3","10","2993","","10.1039/c2sc20443f","","","0.71073","MoKα","","0.118","0.0752","","","0.202","0.222","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515072","13.83","0.003","8.0116","0.0014","21.166","0.004","90","","104.203","0.008","90","","2273.5","0.8","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0768","0.0616","","","0.169","0.1851","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515073","15.778","0.003","16.681","0.003","8.324","0.0017","90","","95.55","0.03","90","","2180.5","0.7","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0638","0.0469","","","0.1033","0.1147","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515074","12.9325","0.0002","8.0103","0.0001","19.3676","0.0003","90","","105.363","0.001","90","","1934.66","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 -","- C48 H32 -","- C96 H64 -","2","0.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.0432","0.0414","","","0.1115","0.1126","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515075","15.9075","0.0004","8.1405","0.0002","20.7418","0.0006","90","","108.655","0.002","90","","2544.84","0.12","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 -","- C60 H40 -","- C120 H80 -","2","0.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.0583","0.0505","","","0.1416","0.1464","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515076","12.8737","0.0003","19.0556","0.0004","27.2224","0.0006","69.54","0.002","79.038","0.002","79.051","0.002","6087.1","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C120 H40 -","- C120 H40 -","- C360 H120 -","3","1.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.1079","0.0766","","","0.2104","0.2236","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515077","28.532","0.003","33.426","0.003","16.0881","0.0014","90","","90","","90","","15343","3","296","2","296","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C81 H28 Cu2 O18 -","- C81 H28 Cu2 O18 -","- C324 H112 Cu8 O72 -","4","0.5","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.1115","0.0685","","","0.1823","0.1957","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515078","36.3615","0.0003","36.3615","0.0003","34.7679","0.0006","90","","90","","90","","45968.7","1","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.71 H20 O8 Zn1.71 -","- C34.7143 H20 O8 Zn1.71429 -","- C972 H560 O224 Zn48 -","28","1.75","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.0478","0.0388","","","0.0933","0.0966","","","","","","0.954","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515079","9.232","0.0004","9.9138","0.0004","13.3547","0.0005","105.125","0.002","102.783","0.002","100.418","0.002","1113.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H74 I2 Mn2 O2 -","- C42 H74 I2 Mn2 O2 -","- C42 H74 I2 Mn2 O2 -","1","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","1.54178","CuKα","","0.0329","0.0305","","","0.0718","0.073","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515080","27.5131","0.0008","12.7588","0.0004","25.2896","0.0007","90","","114.339","0.002","90","","8088.5","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H146 Mn5 -","- C78 H146 Mn5 -","- C312 H584 Mn20 -","4","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","1.54178","CuKα","","0.0404","0.0363","","","0.0865","0.0884","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515081","27.484","0.0004","12.7411","0.0002","25.273","0.0004","90","","114.331","0.002","90","","8064","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H146 Mn5 -","- C78 H146 Mn5 -","- C312 H584 Mn20 -","4","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","0.71073","MoKα","","0.0479","0.0269","","","0.0569","0.0592","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515082","10.149","0.0001","11.5785","0.0001","19.7361","0.0001","90","","93.295","0.001","90","","2315.36","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C26.5 H22 Cl3 N O3 -","- C26.5 H22 Cl3 N O3 -","- C106 H88 Cl12 N4 O12 -","4","2","","Gómez-Bengoa, Enrique; Jiménez, Jacqueline; Lapuerta, Irati; Mielgo, Antonia; Oiarbide, Mikel; Otazo, Itziar; Velilla, Irene; Vera, Silvia; Palomo, Claudio","Combined α,α-dialkylprolinol ether/Brønsted acid promotes Mannich reactions of aldehydes with unactivated imines. An entry to anti-configured propargylic amino alcohols","Chemical Science","2012","3","10","2949","","10.1039/c2sc20590d","","x-ray","1.54184","CuKα","","0.0314","0.0302","","","0.0805","0.0816","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515083","7.8946","0.0006","5.9692","0.0004","10.8812","0.001","90","","92.454","0.003","90","","512.3","0.07","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0728","0.0302","","0.0735","0.0466","0.0735","","","","","","1.0241","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515084","7.8401","0.0006","5.9549","0.0004","10.8935","0.001","90","","92.556","0.003","90","","508.08","0.07","250","","250","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0673","0.0284","","0.0699","0.0463","0.0699","","","","","","1.0417","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515085","7.7899","0.0006","5.9402","0.0004","10.9075","0.001","90","","92.67","0.003","90","","504.18","0.07","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0615","0.0253","","0.0843","0.0538","0.0843","","","","","","1.0074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515086","7.7378","0.0006","5.9245","0.0004","10.9232","0.0009","90","","92.821","0.003","90","","500.14","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0562","0.0256","","0.0642","0.0418","0.0642","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515087","7.6885","0.0006","5.9097","0.0004","10.9351","0.0009","90","","92.984","0.003","90","","496.18","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0547","0.0251","","0.0636","0.0438","0.0636","","","","","","1.0166","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515088","7.8926","0.0005","5.9767","0.0003","10.8739","0.0006","90","","92.47","0.005","90","","512.46","0.05","293","","293","","","","101.325","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0379","0.0248","","0.0681","0.0602","0.0681","","","","","","1.0721","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515089","7.433","0.002","5.8092","0.0003","10.9101","0.0005","90","","93.736","0.01","90","","470.09","0.13","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.1072","0.0821","","0.2123","0.2029","0.2123","","","","","","1.1132","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515090","7.2027","0.0016","5.6926","0.0003","10.9057","0.0004","90","","94.504","0.008","90","","445.78","0.1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.1055","0.0891","","0.2574","0.2447","0.2574","","","","","","1.0632","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515091","7.0544","0.0017","5.6024","0.0003","10.8873","0.0004","90","","95.062","0.009","90","","428.61","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0996","0.0728","","0.191","0.1758","0.191","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515092","6.992","0.0013","5.559","0.0002","10.875","0.0004","90","","95.344","0.007","90","","420.86","0.08","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0954","0.0772","","0.2066","0.1932","0.2066","","","","","","0.9796","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515093","6.9259","0.0016","5.5072","0.0002","10.8549","0.0004","90","","95.667","0.008","90","","412.01","0.1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.102","0.0751","","0.2048","0.1891","0.2048","","","","","","1.0542","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515094","6.871","0.0013","5.467","0.0002","10.8393","0.0003","90","","95.878","0.007","90","","405.02","0.08","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0753","0.0601","","0.1595","0.1492","0.1595","","","","","","1.0147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515095","6.828","0.002","5.4298","0.0003","10.8209","0.0005","90","","96.076","0.011","90","","398.93","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.082","0.0615","","0.1545","0.141","0.1545","","","","","","1.0033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515096","17.533","0.0012","20.0767","0.0014","21.7131","0.0015","90","","96.387","0.001","90","","7595.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Ag F9 N8 O9 S3 -","- C69 H54 Ag F9 N8 O9 S3 -","- C276 H216 Ag4 F36 N32 O36 S12 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1069","0.0652","","","0.1645","0.1807","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515097","17.1508","0.0014","16.7972","0.0014","24.955","0.002","90","","106.286","0.001","90","","6900.7","1","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C136 H104 Ag4 F12 N16 O12 S4 -","- C136 H104 Ag4 F12 N16 O12 S4 -","- C272 H208 Ag8 F24 N32 O24 S8 -","2","0.5","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0951","0.0816","","","0.2243","0.2372","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515098","14.122","0.002","17.707","0.003","32.571","0.005","93.111","0.002","97.694","0.002","109.952","0.002","7543","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H104 Ag4 F24 N16 P4 -","- C132 H104 Ag4 F24 N16 P4 -","- C264 H208 Ag8 F48 N32 P8 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0648","0.0447","","","0.1148","0.1231","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515099","28.295","0.003","8.808","0.001","29.743","0.003","90","","97.637","0.001","90","","7346.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 F6 N8 O6 Pt S2 -","- C68 H52 F6 N8 O6 Pt S2 -","- C272 H208 F24 N32 O24 Pt4 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0973","0.0736","","","0.1712","0.1794","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515100","12.306","0.002","18.427","0.004","16.292","0.003","90","","100.907","0.002","90","","3627.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 F6 N8 O8 Ru S4 -","- C72 H64 F6 N8 O8 Ru S4 -","- C144 H128 F12 N16 O16 Ru2 S8 -","2","0.5","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1459","0.1099","","","0.3146","0.3419","","","","","","1.249","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515101","16.995","0.004","13.564","0.003","27.388","0.006","90","","93.097","0.003","90","","6304","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 Co F6 N8 O6 S2 -","- C69 H54 Cl2 Co F6 N8 O6 S2 -","- C276 H216 Cl8 Co4 F24 N32 O24 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1278","0.0915","","","0.239","0.277","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515102","12.1931","0.0013","13.7529","0.0015","18.886","0.002","90","","91.471","0.001","90","","3166","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl2 Cr F6 N10 P -","- C70 H58 Cl2 Cr F6 N10 P -","- C140 H116 Cl4 Cr2 F12 N20 P2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0831","0.0436","","","0.1078","0.1404","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515103","33.096","0.002","16.4589","0.0012","26.678","0.003","90","","120.04","0.001","90","","12580.1","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 Ag3 Cl4 F3 N8 O3 S -","- C68 H54 Ag3 Cl4 F3 N8 O3 S -","- C544 H432 Ag24 Cl32 F24 N64 O24 S8 -","8","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0754","0.0474","","","0.1295","0.1504","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515104","28.29","0.003","8.8229","0.0009","29.69","0.003","90","","97.815","0.001","90","","7341.8","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 F6 N8 O6 Pd S2 -","- C68 H52 F6 N8 O6 Pd S2 -","- C272 H208 F24 N32 O24 Pd4 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1163","0.0697","","","0.1614","0.1783","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515105","17.1544","0.0005","28.6906","0.0009","29.7309","0.0009","90","","104.592","0.001","90","","14160.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 F6 N8 Ni O6 S2 -","- C68 H52 F6 N8 Ni O6 S2 -","- C544 H416 F48 N64 Ni8 O48 S16 -","8","2","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1122","0.0676","","","0.1734","0.1901","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515106","12.646","0.005","13.785","0.006","18.779","0.008","90","","90.702","0.005","90","","3273","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H52 F6 I2 N8 P Rh -","- C66 H52 F6 I2 N8 P Rh -","- C132 H104 F12 I4 N16 P2 Rh2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1692","0.1127","","","0.2865","0.3143","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515107","18.2751","0.0017","13.6076","0.0013","27.721","0.003","90","","92.926","0.001","90","","6884.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H52 Au F9 N8 O9 S3 -","- C69 H52 Au F9 N8 O9 S3 -","- C276 H208 Au4 F36 N32 O36 S12 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0971","0.071","","","0.204","0.2208","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515108","13.6543","0.0006","24.252","0.001","18.6535","0.0008","90","","94.437","0.002","90","","6158.5","0.5","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Cl4 Co2 F18 N10 O2 P3 -","- C45 H35 Cl4 Co2 F18 N10 O2 P3 -","- C180 H140 Cl16 Co8 F72 N40 O8 P12 -","4","1","","Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S.","Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution","Chemical Science","2012","3","10","3058","","10.1039/c2sc20755a","","","0.71073","MoKα","","0.0793","0.0668","","","0.1823","0.1915","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515109","12.15","0.004","13.31","0.004","17.433","0.005","95.7","0.02","96.001","0.019","107.53","0.03","2648","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H53 Co2 F18 N14 O3 P3 -","- C47 H53 Co2 F18 N14 O3 P3 -","- C94 H106 Co4 F36 N28 O6 P6 -","2","1","","Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S.","Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution","Chemical Science","2012","3","10","3058","","10.1039/c2sc20755a","","","0.71073","MoKα","","0.0438","0.0384","","","0.1095","0.1132","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515110","8.6872","0.0008","24.892","0.002","12.6503","0.0012","90","","92.44","0.002","90","","2733","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DACBr2","","","- C25 H29 Br2 Cl3 N2 O2 -","- C25 H29 Br2 Cl3 N2 O2 -","- C100 H116 Br8 Cl12 N8 O8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0468","0.038","","","0.0816","0.0861","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515111","18.893","0.002","8.2648","0.0009","17.927","0.002","90","","108.099","0.002","90","","2660.7","0.5","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","6satMesBr2","","","- C23 H29 Br2 Cl3 N2 -","- C23 H29 Br2 Cl3 N2 -","- C92 H116 Br8 Cl12 N8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.063","0.0528","","","0.1352","0.1419","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515112","28.784","0.003","28.621","0.003","13.801","0.0013","90","","90","","90","","11370","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SIMesBr2","","","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C360 H440 Br32 Cl72 N32 -","16","2","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0885","0.0577","","","0.134","0.1514","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515113","8.005","0.006","8.772","0.006","16.048","0.011","91.431","0.009","103.924","0.009","98.836","0.007","1078.5","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACUrea","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C48 H56 N4 O6 -","2","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0776","0.0528","","","0.1531","0.1877","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515114","14.9337","0.0012","11.8693","0.0009","13.6108","0.0011","90","","92.054","0.002","90","","2411","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DACDimethyldisulfide","","","- C26 H34 N2 O2 S2 -","- C26 H34 N2 O2 S2 -","- C104 H136 N8 O8 S8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0635","0.0532","","","0.1449","0.1542","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515115","11.0307","0.0015","12.136","0.0016","12.8498","0.0017","69.777","0.003","79.796","0.003","85.828","0.003","1588.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DACDiphenylsulfide","","","- C36 H38 N2 O2 S2 -","- C36 H38 N2 O2 S2 -","- C72 H76 N4 O4 S4 -","2","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.1148","0.0644","","","0.1335","0.1587","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515116","11.5","0.002","17.626","0.004","14.155","0.003","90","","91.498","0.004","90","","2868.2","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACAcenapthenedione","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C144 H136 N8 O16 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.1145","0.0613","","","0.1312","0.1579","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515117","19.076","0.006","9.301","0.003","10.997","0.003","90","","90","","90","","1951.2","1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 B2 N2 -","- C10 H10 B2 N2 -","- C80 H80 B16 N16 -","8","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0743","0.0463","","","0.1012","0.1157","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515118","23.388","0.011","31.934","0.015","5.423","0.003","90","","90","","90","","4050","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H10 B N -","- C12 H10 B N -","- C192 H160 B16 N16 -","16","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0946","0.0571","","","0.1043","0.1198","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515119","9.537","0.007","11.248","0.009","12.439","0.01","107.701","0.009","97.463","0.006","104.937","0.01","1196.4","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.6889","synchrotron","","0.1108","0.081","","","0.2357","0.2662","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515120","9.51","0.017","11.31","0.02","12.46","0.02","107.583","0.019","97.533","0.014","104.719","0.019","1204","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.71073","MoKα","","0.1709","0.1249","","","0.2658","0.2959","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515121","9.525","0.012","11.38","0.015","12.488","0.016","107.619","0.015","97.507","0.01","104.894","0.016","1214","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.71073","MoKα","","0.1329","0.0855","","","0.23","0.2674","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515122","9.534","0.002","19.6","0.005","10.977","0.003","90","","110.365","0.003","90","","1923","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.2384","0.0512","","","0.1108","0.1584","","","","","","0.797","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515123","16.399","0.003","7.8427","0.0014","16.851","0.003","90","","108.538","0.003","90","","2054.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.1239","0.0426","","","0.0927","0.1168","","","","","","0.844","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515124","14.348","0.005","11.622","0.004","16.672","0.006","90","","103.442","0.005","90","","2703.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C112 H128 O40 -","8","2","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.0774","0.0548","","","0.1582","0.1693","","","","","","2.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515125","11.21","0.005","16.029","0.007","11.499","0.005","90","","102.731","0.007","90","","2015.4","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C84 H116 N4 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.0712","0.0451","","","0.111","0.1225","","","","","","1.175","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515126","17.443","0.004","21.703","0.005","9.844","0.002","90","","90","","90","","3726.6","1.4","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C152 H168 N24 O32 -","8","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.247","0.1313","","","0.2684","0.307","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515127","9.6914","0.0001","12.1082","0.0001","22.0163","0.0003","80.771","0.0004","79.72","0.0005","73.3185","0.0005","2418.67","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ti(NAr)(NHAr)2(py)2","","- C46 H63 N5 Ti -","- C46 H63 N5 Ti -","- C92 H126 N10 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.0899","0.0685","","0.0799","0.0645","0.0614","","","","","","0.9984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515128","10.2991","0.0007","19.4178","0.0012","13.0747","0.0009","90","","101.982","0.004","90","","2557.8","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ti(Me)(NAr)3{Li(py)}3","","- C52 H69 Li3 N6 Ti -","- C52 H69 Li3 N6 Ti -","- C104 H138 Li6 N12 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1163","0.0708","","0.0841","0.0535","0.0493","","","","","","1.1051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515129","18.4575","0.0002","16.9731","0.0002","17.726","0.0002","90","","90","","90","","5553.22","0.11","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","Ti(NAr)2(NHAr)2{Li(py)}2","","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C230 H330 Li8 N22 O2 Ti4 -","4","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1352","0.065","","0.1332","0.0624","0.0557","","","","","","1.1681","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515130","23.769","0.003","15.938","0.003","13.3495","0.0011","90","","102.022","0.009","90","","4946.3","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N2 O14 Ru2 -","- C40 H46 N2 O14 Ru2 -","- C160 H184 N8 O56 Ru8 -","4","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.031","0.0269","","","0.0729","0.0759","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515131","16.0499","0.0016","24.504","0.004","26.963","0.004","70.041","0.01","77.399","0.012","81.696","0.009","9699","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C259 H247 Cl69 N8 O56 Ru8 -","- C259 H247 Cl69 N8 O56 Ru8 -","- C259 H247 Cl69 N8 O56 Ru8 -","1","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.1571","0.1234","","","0.3466","0.3818","","","","","","1.48","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515132","12.0083","0.0018","15.379","0.004","20.885","0.003","85.969","0.016","78.367","0.01","87.615","0.016","3766.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H120 Cl8 N4 O28 Ru4 -","- C122 H120 Cl8 N4 O28 Ru4 -","- C122 H120 Cl8 N4 O28 Ru4 -","1","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.0977","0.0904","","","0.1965","0.1993","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515133","16.2749","0.0009","7.2655","0.0004","22.8836","0.0013","90","","91.975","0.002","90","","2704.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Au F6 N4 P -","- C28 H24 Au F6 N4 P -","- C112 H96 Au4 F24 N16 P4 -","4","1","","Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming","Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations","Chemical Science","2012","3","3","752","","10.1039/c2sc00947a","","","1.54178","CuKα","","0.0713","0.0607","","","0.1531","0.1623","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515134","7.0177","0.0006","7.4499","0.0006","10.1765","0.0008","90","","90","","90","","532.04","0.08","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F6 Fe2 Rb -","- F6 Fe2 Rb -","- F24 Fe8 Rb4 -","4","0.5","","Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J.","RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride","Chemical Science","2012","3","3","741","","10.1039/c2sc00765g","","","0.71073","MoKα","","0.0246","0.0214","","","0.0485","0.0497","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515135","12.85","0.005","15.422","0.005","16.768","0.005","66.868","0.005","88.549","0.005","80.667","0.005","3012.7","1.8","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -","- C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -","- C88.2 H96.8 F24 N12 O16.2 Pd2 Sb4 -","2","1","","Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.","Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery","Chemical Science","2012","3","3","778","","10.1039/c2sc00899h","","","0.71069","MoKα","","0.067","0.0518","","","0.1387","0.1499","","","","","","1.097","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515136","11.9663","0.0019","12.345","0.0019","17.495","0.003","76.455","0.009","83.846","0.01","85.135","0.01","2493.3","0.7","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 Cl4 N16 Pd2 Pt2 -","- C76 H56 Cl4 N16 Pd2 Pt2 -","- C76 H56 Cl4 N16 Pd2 Pt2 -","1","0.5","","Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.","Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery","Chemical Science","2012","3","3","778","","10.1039/c2sc00899h","","","0.71073","MoKα","","0.0965","0.0748","","","0.2226","0.2379","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515137","12.0562","0.0002","13.9646","0.0003","18.9224","0.0013","90","","90","","90","","3185.8","0.2","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H57 O4 Si2 -","- C29 H57 O4 Si2 -","- C116 H228 O16 Si8 -","4","1","","Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John","Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","3","892","895","10.1039/C2SC00866A","","","1.54178","CuKα","","0.0581","0.0562","","","0.1452","0.1471","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515138","9.731","0.003","11.057","0.004","18.275","0.005","89.321","0.018","76.443","0.017","87.163","0.019","1909.2","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H32 Fe -","- C24 H32 Fe -","- C96 H128 Fe4 -","4","2","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0979","0.0442","","","0.0939","0.1127","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515139","8.2905","0.0009","11.7186","0.0013","13.8485","0.0015","90","","106.91","0.004","90","","1287.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Fe -","- C18 H16 Fe -","- C72 H64 Fe4 -","4","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0307","0.0283","","","0.0722","0.0737","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515140","7.3925","0.0003","12.3693","0.0006","19.4209","0.0009","90","","90","","90","","1775.85","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 D4 Fe -","- C12 H12 Fe -","- C96 H96 Fe8 -","8","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0281","0.0222","","","0.0554","0.0591","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515141","30.829","0.0006","14.572","0.0007","24.908","0.0005","90","","123.658","0.005","90","","9313.8","0.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C12 H52 Mn2 Mo12 N8 Na2 O74 P8 Zn3 -","- C12 H16 Mn2 Mo12 N8 Na2 O73.98 P8 Zn3 -","- C48 H64 Mn8 Mo48 N32 Na8 O295.92 P32 Zn12 -","4","0.5","","Du, Dong-Ying; Qin, Jun-Sheng; Wang, Ting-Ting; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Wang, En-Bo","Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic‒organic hybrid materials producing gold nanoparticles and catalytic properties","Chemical Science","2012","3","3","705","","10.1039/c2sc00586g","","","0.71069","MoKα","","0.0534","0.0443","","","0.1304","0.1371","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515142","21.5894","0.0008","20.9227","0.0009","23.8146","0.0009","90","","109.321","0.002","90","","10151.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.75 H113.5 Dy2 N10 O16.25 -","- C104.75 H113.5 Dy2 N10 O16.25 -","- C419 H454 Dy8 N40 O65 -","4","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.0704","0.0466","","","0.1134","0.1296","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515143","14.3544","0.0008","18.9741","0.001","23.049","0.0012","86.019","0.003","81.988","0.003","79.315","0.002","6102.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C129.5 H133.5 Dy2 N10.5 O17.5 -","- C129.5 H133.5 Dy2 N10.5 O17.5 -","- C259 H267 Dy4 N21 O35 -","2","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.1355","0.0805","","","0.1588","0.1881","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515144","11.784","0.0015","22.87","0.003","52.23","0.006","90","","95.811","0.006","90","","14004","3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144.5 H165 Dy2 N10 O19.5 -","- C144.5 H165 Dy2 N10 O19.5 -","- C578 H660 Dy8 N40 O78 -","4","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.0877","0.0763","","","0.1893","0.1963","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515145","9.357","0.007","13.439","0.009","18.66","0.013","90","","90","","90","","2346","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O S -","- C28 H29 N O S -","- C112 H116 N4 O4 S4 -","4","1","","Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro","Hindered biaryls by C‒H coupling: bisoxazoline-Pd catalysis leading to enantioselective C‒H coupling","Chemical Science","2012","3","6","2165","","10.1039/c2sc20277h","","","0.7107","MoKα","","0.136","0.1054","","","0.2507","0.2823","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515146","25.838","0.0016","25.838","0.0016","25.838","0.0016","90","","90","","90","","17249.5","1.9","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C6 H3 N4 Ni0.1 O3.25 Zn -","- C6 H3 N4 Ni0.09 O3.25 Zn0.91 -","- C192 H96 N128 Ni2.88 O104 Zn29.12 -","32","0.166667","","Brozek, Carl K.; Dincă, Mircea","Lattice-imposed geometry in metal‒organic frameworks: lacunary Zn4O clusters in MOF-5 serve as tripodal chelating ligands for Ni2+","Chemical Science","2012","3","6","2110","","10.1039/c2sc20306e","","","0.71073","MoKα","","0.1063","0.0905","","","0.2759","0.3424","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515147","8.712","0.002","12.244","0.003","16.51","0.003","90","","90","","90","","1761.1","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","Catalytic asymmetric α-amination of carboxylic acids using isothioureas","Chemical Science","2012","3","6","2088","","10.1039/c2sc20171b","","","0.71073","MoKα","","0.0456","0.0379","","","0.065","0.0682","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515148","20.1837","0.0012","9.1091","0.0005","23.0754","0.0013","90","","110.794","0.007","90","","3966.2","0.4","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49.9 H48.6 Cl0.2 N O3.9 S -","- C49.9 H43 Cl0.2 N O3.9 S -","- C199.6 H172 Cl0.8 N4 O15.6 S4 -","4","1","","Chen, Sijie; Liu, Jianzhao; Liu, Yang; Su, Huimin; Hong, Yuning; Jim, Cathy K. W.; Kwok, Ryan T. K.; Zhao, Na; Qin, Wei; Lam, Jacky W. Y.; Wong, Kam Sing; Tang, Ben Zhong","An AIE-active hemicyanine fluorogen with stimuli-responsive red/blue emission: extending the pH sensing range by “switch + knob” effect","Chemical Science","2012","3","6","1804","","10.1039/c2sc01108e","","x-ray","1.5418","CuKα","","0.1464","0.0721","","","0.1321","0.1651","","","","","","1.007","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515149","17.3296","0.0006","3.8995","0.0001","13.8867","0.0005","90","","114.947","0.002","90","","850.86","0.05","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 O2 -","- C8 H4 Br2 O2 -","- C32 H16 Br8 O8 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0234","0.0205","","0.0244","0.0225","0.0225","","","","","","1.1356","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515150","13.2036","0.0004","7.7069","0.0002","14.7968","0.0005","90","","107.154","0.0015","90","","1438.72","0.08","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br2 O4 -","- C16 H8 Br2 O4 -","- C64 H32 Br8 O16 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0367","0.0272","","0.0393","0.031","0.031","","","","","","1.1093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515151","13.3084","0.0003","6.8541","0.0002","29.076","0.0008","90","","93.477","0.0011","90","","2647.35","0.12","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br2 O8 -","- C32 H16 Br2 O8 -","- C128 H64 Br8 O32 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0973","0.0848","","0.1756","0.1725","0.1756","","","","","","1.0211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515152","8.6955","0.0002","11.3755","0.0003","13.3637","0.0003","90","","103.355","0.0011","90","","1286.13","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 I2 O3 -","- C12 H6 I2 O3 -","- C48 H24 I8 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0222","0.0205","","0.0485","0.0477","0.0485","","","","","","1.0625","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515153","8.1262","0.0011","15.991","0.002","13.825","0.002","90","","101.243","0.005","90","","1762","0.4","200","","200","","","","","","","","local","4","C 1 c 1","C -2yc","9","","","","- C20 H10 Br2 O5 -","- C20 H10 Br2 O5 -","- C80 H40 Br8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.089","0.0576","","0.1237","0.1094","0.1237","","","","","","1.0073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515154","7.3671","0.0014","12.397","0.002","13.127","0.003","92.975","0.011","93.428","0.009","95.781","0.012","1188.6","0.4","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C28 H14 Br2 O7 -","- C28 H14 Br2 O7 -","- C56 H28 Br4 O14 -","2","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.2389","0.1017","","0.249","0.1769","0.249","","","","","","0.9873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515155","6.9255","0.0007","7.3969","0.0007","11.6514","0.0011","72.785","0.005","78.03","0.006","63.603","0.005","508.68","0.09","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C24 H12 Br2 O6 -","- C24 H12 Br2 O6 -","- C24 H12 Br2 O6 -","1","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.097","0.0652","","0.1586","0.1409","0.1586","","","","","","1.0534","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515156","5.9382","0.0003","22.9614","0.0017","6.718","0.0004","90","","91.539","0.005","90","","915.66","0.1","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H14 O6 -","- C24 H14 O6 -","- C48 H28 O12 -","2","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.098","0.0566","","0.1468","0.1277","0.1468","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515157","8.9805","0.0002","7.2435","0.0001","15.1904","0.0003","90","","97.9427","0.0012","90","","978.66","0.03","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 O2 -","- C8 H6 O2 -","- C48 H36 O12 -","6","1.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0467","0.0354","","0.0487","0.0446","0.0446","","","","","","1.0607","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515158","24.2219","0.0009","5.1953","0.0002","7.4212","0.0003","90","","90","","90","","933.88","0.06","150","","150","","","","","","","","local","3","P c a 21","P 2c -2ac","29","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0296","0.0271","","0.0335","0.0314","0.0314","","","","","","1.1227","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515159","15.185","0.0007","8.7609","0.0004","7.1418","0.0003","90","","116.501","0.002","90","","850.27","0.07","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 O3 -","- C12 H6 O3 -","- C48 H24 O12 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0483","0.0395","","0.103","0.0987","0.103","","","","","","1.0426","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515160","8.8594","0.0003","8.8592","0.0002","46.7607","0.0014","90","","90","","90","","3670.12","0.19","200","","200","","","","","","","","Local laboratory","3","A b a 2","A 2 -2ab","41","","","","- C16 H8 O4 -","- C16 H8 O4 -","- C192 H96 O48 -","12","","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.081","0.048","","0.089","0.072","0.072","","","1.89","1.91","1.91","1.91","","","","has coordinates","189978","2020-10-21","18:00:00",""
"1515161","10.3551","0.0009","13.6824","0.0011","25.595","0.002","90","","90","","90","","3626.4","0.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 N10 O9 -","- C40 H34 N10 O9 -","- C160 H136 N40 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0815","0.0621","","","0.1338","0.1426","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515162","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515163","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515164","10.4183","0.001","13.6836","0.0013","25.671","0.002","90","","90","","90","","3659.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H33.25 Cl0.25 F N9 O8.75 -","- C40.89 H33.3 Cl0.26 F N9 O8.76 -","- C163.56 H133.2 Cl1.04 F4 N36 O35.04 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0921","0.0719","","","0.1385","0.1469","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515165","7.8466","0.0007","33.387","0.003","14.0698","0.0014","90","","94.602","0.002","90","","3674","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 N9 O9 -","- C41 H33 N9 O9 -","- C164 H132 N36 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0925","0.0613","","","0.1222","0.1333","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515166","10.611","0.001","12.959","0.0012","16.4525","0.0016","73.499","0.002","77.989","0.003","72.668","0.003","2051.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N10 O9 -","- C46 H36 N10 O9.149 -","- C92 H72 N20 O18.298 -","2","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0548","","","0.124","0.1335","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515167","6.9865","0.0004","19.2728","0.0011","14.239","0.0008","90","","103.327","0.002","90","","1865.64","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N4 O6 Rh2 -","- C32 H60 N4 O6 Rh2 -","- C64 H120 N8 O12 Rh4 -","2","0.5","","Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming","Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system","Chemical Science","2012","3","6","1785","","10.1039/c2sc00620k","","","1.54178","CuKα","","0.0619","0.0606","","","0.1633","0.1652","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515168","16.372","0.0004","8.7441","0.0002","17.2355","0.0005","90","","104.039","0.001","90","","2393.71","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 N6 O6 Rh2 -","- C20 H34 N6 O6 Rh2 -","- C80 H136 N24 O24 Rh8 -","4","1","","Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming","Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system","Chemical Science","2012","3","6","1785","","10.1039/c2sc00620k","","","1.54178","CuKα","","0.0317","0.03","","","0.0886","0.0904","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515169","18.9708","0.0007","25.2751","0.0007","26.5778","0.0007","90","","90","","90","","12743.8","0.7","180","2","180","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C108 H168 N12 -","- C108 H168 N12 -","- C432 H672 N48 -","4","0.5","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.1668","0.1426","","","0.3419","0.3583","","","","","","1.427","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515170","19.2362","0.0001","19.2362","0.0001","19.2362","0.0001","90","","90","","90","","7118","0.06","150","2","150","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C123 H195 Cl9 N12 -","- C123 H195 Cl12.96 N12 -","- C246 H390 Cl25.92 N24 -","2","0.0833333","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.0906","0.0767","","","0.1927","0.2022","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515171","8.5206","0.0013","13.968","0.002","18.439","0.003","90","","90","","90","","2194.5","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N4 O2 S2 -","- C24 H24 N4 O2 S2 -","- C96 H96 N16 O8 S8 -","4","1","","Boyer, Nicolas; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Gliocladins B and C.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","6","1798","1803","10.1039/C2SC20270K","","","0.71073","MoKα","","0.0356","0.032","","","0.077","0.0791","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515172","24.661","0.003","27.676","0.003","6.5393","0.0007","90","","90","","90","","4463.2","0.9","296.1","","296.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C49 H50 F O9 P -","- C49 H48 F O9 P -","- C196 H192 F4 O36 P4 -","4","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0592","","","","0.2291","","","","","","1.317","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515173","17.7436","0.0014","5.5873","0.0003","22.281","0.002","90","","105.469","0.003","90","","2128.9","0.3","123.1","","123.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H50 F O9 P -","- C49 H46 F O9 P -","- C98 H92 F2 O18 P2 -","2","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0575","","","","0.0621","","","","","","1.11","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515174","10.131","0.003","16.286","0.006","22.312","0.007","90","","90","","90","","3681","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Au N3 P -","- C18 H21 Au N3 P -","- C144 H168 Au8 N24 P8 -","8","2","","Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils","A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line","Chemical Science","2012","3","6","2062","","10.1039/c2sc01127a","","","0.71073","MoKα","","0.082","0.0563","","","0.1136","0.1231","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515175","9.249","0.0008","36.15","0.002","14.659","0.0014","90","","109.97","0.003","90","","4606.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 I2 N7 O -","- C44 H57 I2 N7 O -","- C176 H228 I8 N28 O4 -","4","1","","Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee","A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate","Chemical Science","2012","3","6","1819","","10.1039/c2sc20232h","","","0.71074","MoKα","","0.1257","0.0977","","","0.2019","0.2116","","","","","","1.646","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515176","28.351","0.0012","13.1576","0.0006","19.608","0.0007","90","","112.633","0.002","90","","6751.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 B Cl D F25 O -","- C35 B F25 O -","- C280 B8 F200 O8 -","8","1","","Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood","Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex","Chemical Science","2012","3","6","1814","","10.1039/c2sc20336g","","","1.54178","CuKα","","0.056","0.0438","","","0.1236","0.1309","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515177","11.003","0.002","19.158","0.004","20.004","0.004","76.77","0.03","85.03","0.03","73.96","0.03","3943.8","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.25 H10.5 B Cl0.25 F25 N2 -","- C41.25 H10.5 B Cl0.25 F25 N2 -","- C165 H42 B4 Cl F100 N8 -","4","2","","Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood","Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex","Chemical Science","2012","3","6","1814","","10.1039/c2sc20336g","","","0.71073","MoKα","","0.0857","0.0651","","","0.1758","0.1963","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515178","7.7512","0.0003","8.1381","0.0003","8.4256","0.0003","69.558","0.003","79.669","0.003","74.031","0.003","476.75","0.03","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C23 H22 O5 -","1","1","","Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric Diels‒Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity","Chemical Science","2012","3","6","1879","","10.1039/c2sc20096a","","","1.54184","CuKα","","0.0279","0.0278","","","0.0736","0.0737","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515179","11.846","0.003","6.8888","0.0016","12.417","0.003","90","","99.999","0.002","90","","997.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.0464","0.0388","","","0.1243","0.1373","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515180","9.013","0.016","9.018","0.015","28.9","0.05","87.731","0.019","87.947","0.019","89.841","0.019","2346","7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","4","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.2098","0.1342","","","0.3925","0.4396","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515181","7.089","0.002","15.631","0.005","13.579","0.004","90","","92.518","0.003","90","","1503.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S2 -","- C16 H18 O2 S2 -","- C64 H72 O8 S8 -","4","1","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.0463","0.0359","","","0.1187","0.1346","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515182","19.372","0.013","5.761","0.004","24.488","0.016","90","","90","","90","","2733","3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.1562","0.0928","","","0.2324","0.2847","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515183","11.177","0.002","11.228","0.002","13.582","0.003","69.214","0.01","82.733","0.011","82.327","0.01","1573.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 B F16 O P -","- C30 H32 B F16 O P -","- C60 H64 B2 F32 O2 P2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1447","0.0569","","","0.0982","0.1213","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515184","16.1479","0.0008","9.9549","0.0005","15.5394","0.0007","90","","109.713","0.002","90","","2351.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 B F16 O P -","- C21 H14 B F16 O P -","- C84 H56 B4 F64 O4 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0621","0.0428","","","0.1032","0.1133","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515185","9.1801","0.0013","10.333","0.0014","13.984","0.002","82.073","0.008","74.808","0.007","80.634","0.008","1256.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H14 B F16 N O -","- C25 H14 B F16 N O -","- C50 H28 B2 F32 N2 O2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1189","0.0694","","","0.1718","0.1995","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515186","11.1705","0.0005","16.0049","0.0007","15.9286","0.0008","90","","95.113","0.002","90","","2836.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 B F16 N O -","- C27 H24 B F16 N O -","- C108 H96 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0724","0.0402","","","0.0827","0.0947","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515187","11.938","0.0009","15.0103","0.0012","16.2877","0.0013","108.689","0.004","100.946","0.004","90.15","0.004","2708.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H17 B Cl F16 N O -","- C25.5 H17 B Cl F16 N O -","- C102 H68 B4 Cl4 F64 N4 O4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1814","0.0839","","","0.2375","0.2899","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515188","9.4047","0.0007","11.0955","0.0008","25.2965","0.0019","90","","95.391","0.004","90","","2628","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 B F16 N O -","- C26 H18 B F16 N O -","- C104 H72 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0831","0.0458","","","0.0947","0.1089","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515189","10.7955","0.0004","17.5647","0.0006","20.0048","0.0007","67.706","0.001","77.881","0.001","89.561","0.001","3420.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 B F16 N2 O -","- C29 H22 B F16 N2 O -","- C116 H88 B4 F64 N8 O4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1217","0.0856","","","0.2303","0.2489","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515190","17.2019","0.0006","14.7018","0.0006","16.5689","0.0006","90","","96.135","0.001","90","","4166.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43.99 H27.98 B Cl1.98 F16 O P -","- C43.989 H27.978 B Cl1.978 F16 O P -","- C175.956 H111.912 B4 Cl7.912 F64 O4 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0633","0.0429","","","0.1041","0.1155","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515191","11.1411","0.0007","17.8797","0.0011","14.7969","0.001","90","","98.591","0.004","90","","2914.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B F16 N O -","- C28 H28 B F16 N O -","- C112 H112 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0969","0.0461","","","0.0979","0.1177","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515192","23.862","0.0019","23.862","0.0019","14.686","0.0019","90","0.002","90","0.002","120","0.002","7241.8","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 N12 O Zn -","- C8 H10 N12 O Zn -","- C144 H180 N216 O18 Zn18 -","18","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian","N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery","Chemical Science","2012","3","6","2114","","10.1039/c2sc00017b","","","0.71069","MoKα","","0.0509","0.0403","","","0.1377","0.1462","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515193","12.575","0.002","13.205","0.003","14.031","0.003","112.044","0.003","95.622","0.003","104.585","0.003","2041.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 N6 O2 S6 Zn2 -","- C32 H26 N6 O2 S6 Zn2 -","- C64 H52 N12 O4 S12 Zn4 -","2","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1127","0.0548","","","0.0878","0.0957","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515194","10.75","0.004","19.725","0.007","15.634","0.005","90","","91.283","0.006","90","","3314","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 B N6 O3 Zn -","- C31 H47 B N6 O3 Zn -","- C124 H188 B4 N24 O12 Zn4 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1079","0.049","","","0.0867","0.1067","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515195","22.3176","0.0017","10.4067","0.0008","17.2733","0.0014","90","","99.229","0.001","90","","3959.8","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N6 O3 S6 Zn2 -","- C39 H30 N6 O3 S6 Zn2 -","- C156 H120 N24 O12 S24 Zn8 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1231","0.0659","","","0.1536","0.1801","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515196","8.928","0.0007","14.6268","0.0012","18.4948","0.0015","90","","103.861","0.001","90","","2344.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N3 O3 S3 Zn -","- C23 H19 N3 O3 S3 Zn -","- C92 H76 N12 O12 S12 Zn4 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.0778","0.0412","","","0.0799","0.0924","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515197","31.669","0.006","8.7545","0.0018","28.505","0.006","90","","108.802","0.003","90","","7481","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 N6 O3.5 S6 Zn2 -","- C35 H28 N6 O3.5 S6 Zn2 -","- C280 H224 N48 O28 S48 Zn16 -","8","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.0855","0.0451","","","0.1053","0.1219","","","","","","1.021","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515198","12.632","0.003","15.474","0.003","22.903","0.005","93.59","0.003","96.263","0.003","107.39","0.003","4225.2","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.75 H36 N6 O2 S6 Zn2 -","- C40.75 H36 N6 O2 S6 Zn2 -","- C163 H144 N24 O8 S24 Zn8 -","4","2","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1762","0.0631","","","0.1477","0.1867","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515199","8.8656","0.0009","28.048","0.003","14.4431","0.0015","90","","102.816","0.002","90","","3502","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N6 O3 S6 Zn2 -","- C33 H24 N6 O3 S6 Zn2 -","- C132 H96 N24 O12 S24 Zn8 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1413","0.0559","","","0.0879","0.1129","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515200","22.76","0.03","7.558","0.009","31.61","0.05","90","","97.626","0.019","90","","5389","13","120","2","120","2","","","","","","","Cally Haynes","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 K2 N6 O18 -","- C48 H72 K2 N6 O18 -","- C192 H288 K8 N24 O72 -","4","1","","Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Tunable transmembrane chloride transport by bis-indolylureas","Chemical Science","2012","3","5","1436","","10.1039/c2sc20041d","","","0.6889","Synchrotron","","0.3426","0.1183","","","0.2544","0.4094","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515201","19.3998","0.0017","20.67","0.002","16.7096","0.0011","90","","112.026","0.004","90","","6211.4","0.9","120","2","120","2","","","","","","","Cally Haynes","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H104 N8 O10 P2 -","- C56 H104 N8 O10 P2 -","- C224 H416 N32 O40 P8 -","4","0.5","","Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Tunable transmembrane chloride transport by bis-indolylureas","Chemical Science","2012","3","5","1436","","10.1039/c2sc20041d","","","0.71073","MoKα","","0.1719","0.076","","","0.1636","0.2048","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515202","19.234","0.005","14.717","0.003","16.801","0.004","90","","107.866","0.003","90","","4526.5","1.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","10017a","","","- C45 H45 Cl5 Fe N3 O4 P -","- C45 H45 Cl5 Fe N3 O4 P -","- C180 H180 Cl20 Fe4 N12 O16 P4 -","4","1","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.1109","0.0667","","","0.1669","0.1973","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515203","18.81","0.003","8.8413","0.0012","23.661","0.003","90","","109.478","0.002","90","","3709.7","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","08126","","","- C30 H26 Fe2 N6 O9 -","- C30 H26 Fe2 N6 O9 -","- C120 H104 Fe8 N24 O36 -","4","0.5","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.0484","0.0347","","","0.0799","0.0835","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515204","24.8834","0.0018","8.8381","0.0005","24.4677","0.0012","90","","120.136","0.003","90","","4653.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 Fe2 N6 O13 -","- C42 H58 Fe2 N6 O13 -","- C168 H232 Fe8 N24 O52 -","4","0.5","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.0801","0.0537","","","0.1343","0.1529","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515205","10.7223","0.0005","21.7779","0.0013","16.3387","0.0007","90","","105.321","0.004","90","","3679.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0429","0.034","","","0.0789","0.0836","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515206","10.7119","0.0004","21.742","0.0012","16.4105","0.0006","90","","105.404","0.004","90","","3684.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0407","0.0328","","","0.0771","0.0814","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515207","10.7245","0.0005","21.8948","0.0015","16.3488","0.0008","90","","105.251","0.005","90","","3703.7","0.4","190","2","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0546","0.0417","","","0.1001","0.1092","","","","","","0.949","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515208","10.786","0.008","22.362","0.017","16.405","0.012","90","","104.945","0.009","90","","3823","5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0618","0.0465","","","0.1399","0.1521","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515209","10.7248","0.0005","22.0346","0.0011","16.3099","0.0008","90","","105.166","0.001","90","","3720.1","0.3","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0606","0.0454","","","0.1312","0.1408","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515210","10.7075","0.0007","21.8698","0.0014","16.3273","0.001","90","","105.309","0.001","90","","3687.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0572","0.0455","","","0.1341","0.1422","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515211","10.6878","0.0007","21.7334","0.0014","16.3349","0.001","90","","105.419","0.001","90","","3657.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0563","0.0472","","","0.1207","0.1262","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515212","11.125","0.0017","15.392","0.002","15.758","0.002","74.695","0.003","77.903","0.003","70.463","0.003","2430.9","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H55 N5 O12 Pd2 -","- C50 H55 N5 O12 Pd2 -","- C100 H110 N10 O24 Pd4 -","2","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.71073","MoKα","","0.0507","0.0387","","","0.0932","0.0993","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515213","8.435","0.0006","10.2678","0.0005","13.5105","0.0007","77.953","0.004","76.502","0.005","72.666","0.005","1073.86","0.11","109.9","","109.9","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N8 O12 Pd -","- C42 H48 N8 O12 Pd -","- C42 H48 N8 O12 Pd -","1","0.5","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7107","MoKα","","0.0399","0.0367","","","0.0919","0.0942","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515214","47.4181","0.0014","11.0136","0.0003","17.7382","0.0006","90","","107.608","0.003","90","","8829.7","0.5","110.15","","110.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Cl2 N O6 P Pd -","- C41 H40 Cl2 N O6 P Pd -","- C328 H320 Cl16 N8 O48 P8 Pd8 -","8","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7107","MoKα","","0.0407","0.0373","","","0.1018","0.1038","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515215","10.5351","0.0007","9.7782","0.0006","15.3104","0.001","90","","90.555","0.001","90","","1577.12","0.18","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 N3 O4 Pd -","- C12 H25 N3 O4 Pd -","- C48 H100 N12 O16 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.71073","MoKα","","0.0371","0.028","","","0.0595","0.0626","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515216","10.337","0.002","15.431","0.003","19.611","0.004","82.82","0.03","84.35","0.03","82.95","0.03","3069.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.71073","MoKα","","0.1905","0.1146","","0.1725","0.1167","0.1167","","","","","","1.1051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515217","11.998","0.002","14.379","0.003","19.482","0.004","82.891","0.006","87.456","0.005","76.474","0.005","3242.3","1.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H162 N12 O2 Zn2 -","- C150 H162 N12 O2 Zn2 -","- C150 H162 N12 O2 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.085","0.0704","","0.1331","0.1272","0.1331","","","","","","0.9973","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515218","10.038","0.011","18.807","0.018","19.38","0.02","78.31","0.04","84.46","0.04","82.55","0.04","3543","6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C154.044 H162.374 N11.518 O2 Zn2 -","- C154.044 H162.374 N11.518 O2 Zn2 -","- C154.044 H162.374 N11.518 O2 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.1284","0.1106","","0.2667","0.2531","0.2667","","","","","","0.9073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515219","11.254","0.003","16.718","0.004","19.85","0.004","83.634","0.006","79.865","0.004","87.849","0.007","3653.1","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C184 H178 N10 Zn2 -","- C184 H178 N10 Zn2 -","- C184 H178 N10 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.0937","0.0769","","0.168","0.1594","0.168","","","","","","0.9953","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515220","15.4354","0.0008","16.6155","0.0009","21.9618","0.0012","98.915","0.001","98.974","0.001","93.126","0.001","5478.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C236 H235 Br2 Cl3 N16 O8 Zn4 -","- C236 H253 Br2 Cl3 N16 O8 Zn4 -","- C236 H253 Br2 Cl3 N16 O8 Zn4 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6943","synchrotron","","0.1354","0.0915","","0.1316","0.1069","0.1069","","","","","","1.0451","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515221","12.428","0.004","14.323","0.005","21.854","0.008","80.953","0.008","87.36","0.011","69.226","0.011","3592","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C172 H182 N16 Zn2 -","- C172 H182 N16 Zn2 -","- C172 H182 N16 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.0953","0.0796","","0.204","0.188","0.204","","","","","","1.0002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515222","8.5307","0.0004","9.5523","0.0005","30.0128","0.0013","90","","90","","90","","2445.7","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O5 -","- C28 H28 N4 O5 -","- C112 H112 N16 O20 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0562","0.0402","","","0.1084","0.1404","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515223","10.6627","0.0004","13.0584","0.0005","17.7049","0.0006","90","","90","","90","","2465.19","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O3.35 Pd -","- C26 H25 N3 O3.352 Pd -","- C104 H100 N12 O13.408 Pd4 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0263","0.0231","","","0.049","0.0504","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515224","9.957","0.002","21.918","0.005","15.524","0.003","90","","104.837","0.003","90","","3275","1.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H75 N3 O17 Rh2 -","- C68 H75 N3 O17 Rh2 -","- C136 H150 N6 O34 Rh4 -","2","1","","Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M.","Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1589","1593","10.1039/C2SC01134D","","","0.71073","MoKα","","0.0933","0.0589","","","0.0987","0.1095","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515225","9.9798","0.0005","16.4442","0.001","24.1424","0.0014","90","","90","","90","","3962","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C134 Cl6 D2 F28 -","- C145.7 Cl5 F28 -","- C291.4 Cl10 F56 -","2","0.25","","Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H.","Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated","Chemical Science","2012","3","5","1399","","10.1039/c2sc01133f","","","0.41328","synchrotron","","0.1168","0.0895","","","0.2562","0.2951","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515226","8.45","0.0006","11.0814","0.0007","32.443","0.003","90","","90","","90","","3037.9","0.4","110","2","110","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 Fe N2 O4.41 P -","- C35 H33 Fe N2 O4.408 P -","- C140 H132 Fe4 N8 O17.632 P4 -","4","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0796","0.0549","","","0.1227","0.1319","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515227","7.0453","0.0003","24.2072","0.0008","9.1599","0.0004","90","","109.031","0.003","90","","1476.81","0.11","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Fe N2 O4 P -","- C34 H31 Fe N2 O4 P -","- C68 H62 Fe2 N4 O8 P2 -","2","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.057","0.0576","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515228","14.4225","0.0011","13.237","0.0012","9.0745","0.0008","90","","102.821","0.008","90","","1689.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl3 N5 Os -","- C14 H12 Cl3 N5 Os -","- C56 H48 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","1.54184","CUKα","","0.0357","0.0316","","","0.0898","0.0915","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515229","10.314","0.005","15.45","0.006","8.562","0.005","90","","96.39","0.05","90","","1355.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl3 N5 Os -","- C8 H12 Cl3 N5 Os -","- C32 H48 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","0.71073","MOKα","","0.0216","0.0192","","","0.0418","0.0423","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515230","10.466","","14.595","","10.063","","90","","92.79","","90","","1535.31","","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl3 N5 Os -","- C10 H16 Cl3 N5 Os -","- C40 H64 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","1.5418","CuKα","","0.0181","0.0181","","","0.0459","0.0459","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515231","10.4137","0.0003","11.0728","0.0003","11.4646","0.0003","87.628","0.002","70.662","0.002","66.25","0.002","1135.25","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl3 N5 Os -","- C16 H16 Cl3 N5 Os -","- C32 H32 Cl6 N10 Os2 -","2","1","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","0.71073","MOKα","","0.0197","0.0174","","","0.0497","0.05","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515232","24.2","0.003","13.427","0.0016","16.2572","0.0019","90","","95.747","0.002","90","","5256","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H27 Cl F6 N2 Rh Sb -","- C23.5 H27 Cl F6 N2 Rh Sb -","- C188 H216 Cl8 F48 N16 Rh8 Sb8 -","8","2","","Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie","Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds","Chemical Science","2012","3","5","1634","","10.1039/c2sc01081j","","","0.71073","MoKα","","0.0684","0.0636","","","0.1524","0.1565","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515233","18.507","0.007","10.873","0.004","17.673","0.007","90","","103.416","0.008","90","","3459","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 F6 N2 O2 Rh S Sb -","- C35 H36 F6 N2 O2 Rh S Sb -","- C140 H144 F24 N8 O8 Rh4 S4 Sb4 -","4","1","","Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie","Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds","Chemical Science","2012","3","5","1634","","10.1039/c2sc01081j","","","0.71073","MoKα","","0.1336","0.1045","","","0.1633","0.177","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515234","19.21","0.004","20.782","0.004","25.12","0.005","90","","90","","90","","10028","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H109 F30 N16 O10 P -","- C86 H109 F30 N16 O10 P -","- C344 H436 F120 N64 O40 P4 -","4","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.0701","0.0542","","","0.1036","0.1094","","","","","","1.482","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515235","13.939","0.002","14.194","0.005","14.511","0.003","93.624","0.003","118.198","0.002","96.509","0.003","2491.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 F15 N8 O4 -","- C43 H54 F15 N8 O4 -","- C86 H108 F30 N16 O8 -","2","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.1072","0.0633","","","0.1769","0.2107","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515236","7.9976","0.001","30.448","0.004","13.5205","0.0018","90","","96.2528","0.0005","90","","3272.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","dibenzoborole","dibenzoborole","","- C21 H19 B -","- C21 H19 B -","- C168 H152 B8 -","8","2","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0528","0.0484","","","0.1143","0.1182","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515237","22.546","0.004","22.546","0.004","7.1203","0.0013","90","","90","","90","","3619.4","1.1","123","2","123","2","","","","","","","","4","P 4/n :2","-P 4a","85","(indolo)(benzo)borole","(indolo)(benzo)borole","","- C24 H22 B N -","- C24 H22 B N -","- C192 H176 B8 N8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0614","0.0597","","","0.1343","0.1355","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515238","25.956","0.008","8.077","0.003","16.85","0.005","90","","105.859","0.0011","90","","3398.1","1.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(benzofrano)(benzo)borole","(benzofrano)(benzo)borole","","- C23 H19 B O -","- C23 H19 B O -","- C184 H152 B8 O8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0745","0.0654","","","0.1669","0.1748","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515239","32.132","0.014","7.89","0.003","14.955","0.007","90","","106.728","0.007","90","","3631","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(benzothieno)(benzo)borole","(benzothieno)(benzo)borole","","- C23 H19 B S -","- C23 H19 B S -","- C184 H152 B8 S8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0883","0.0748","","","0.1841","0.1943","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515240","4.4289","0.0004","9.6455","0.0018","17.6718","0.0018","101.395","0.008","95.279","0.008","92.673","0.007","735.28","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H23 Cl N6 -","- C11 H23 Cl N6 -","- C22 H46 Cl2 N12 -","2","1","","Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi","Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains","Chemical Science","2012","3","11","3227","","10.1039/c2sc20871g","","","0.71073","MoKα","","0.1011","0.0772","","","0.1406","0.1493","","","","","","1.236","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515241","16.242","0.0013","18.9077","0.0016","19.5236","0.0016","90","","94.318","0.001","90","","5978.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 B F4 N3 O8 -","- C67 H74 B F4 N3 O8 -","- C268 H296 B4 F16 N12 O32 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.1417","0.0763","","","0.1953","0.2443","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515242","14.1231","0.0017","23.13","0.003","26.377","0.003","90","","100.575","0.002","90","","8470.2","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H114 N4 O10 -","- C92 H98 N4 O8 -","- C368 H392 N16 O32 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2292","0.169","","","0.3701","0.407","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515243","13.833","0.002","29.043","0.004","38.755","0.006","90","","97.751","0.002","90","","15428","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76.5 H96.5 B2 Cl1.5 F8 N4 O8 -","- C76 H96 B2 F8 N4 O8 -","- C608 H768 B16 F64 N32 O64 -","8","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2103","0.1356","","","0.3416","0.3923","","","","","","1.077","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515244","21.517","0.003","39.753","0.005","11.1884","0.0015","90","","96.934","0.002","90","","9500","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H107.5 B2 Cl1.5 F8 N5 O12 -","- C89.49 H107.47 B2 Cl1.5 F8 N4.99 O11.98 -","- C357.96 H429.88 B8 Cl6 F32 N19.96 O47.92 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2158","0.1563","","","0.2932","0.3319","","","","","","1.153","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515245","14.951","0.003","16.589","0.003","9.3553","0.0016","100.333","0.002","92.296","0.002","91.691","0.002","2279.3","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H111 B2 F8 N9 O18 -","- C89 H111 B2 F8 N9 O18 -","- C89 H111 B2 F8 N9 O18 -","1","0.5","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.1228","0.0985","","","0.2636","0.2861","","","","","","0.998","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515246","5.4774","0.0013","10.39","0.002","25.084","0.006","90","","90","","90","","1427.5","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid‒achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0408","0.0392","","","0.0961","0.0972","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515247","5.5219","0.0008","12.136","0.0017","23.04","0.003","90","","90","","90","","1544","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid‒achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0334","0.0324","","","0.0833","0.0843","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515248","10.2817","0.0007","10.9413","0.0007","15.5048","0.0011","88.673","0.003","82.244","0.002","67.515","0.002","1596.1","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F18 N O6 -","- C23 H23 Cu F18 N O6 -","- C46 H46 Cu2 F36 N2 O12 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0433","0.0356","","","0.0985","0.1067","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515249","9.9155","0.0006","10.9991","0.0006","15.6366","0.0009","83.547","0.003","90.332","0.003","70.468","0.003","1595.32","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F18 N Ni O6 -","- C23 H23 F18 N Ni O6 -","- C46 H46 F36 N2 Ni2 O12 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0555","0.0442","","","0.0977","0.1028","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515250","10.3786","0.0013","10.8425","0.0014","15.1786","0.0019","86.056","0.002","80.156","0.002","67.947","0.002","1559.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 F18 N O6 Zn -","- C23 H23 F18 N O6 Zn -","- C46 H46 F36 N2 O12 Zn2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0549","0.039","","","0.0957","0.1042","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515251","11.5841","0.0003","12.0774","0.0004","12.1591","0.0003","63.859","0.001","71.425","0.001","64.501","0.001","1360.82","0.07","200","2","199.98","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cu F12 N O6 S -","- C21 H15 Cu F12 N O6 S -","- C42 H30 Cu2 F24 N2 O12 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0462","0.0376","","","0.131","0.1406","","","","","","1.129","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515252","10.3431","0.0004","9.0814","0.0004","10.9394","0.0004","90","","102.94","0.002","90","","1001.44","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C46 H40 Cl2 N2 O4 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0279","0.0268","","","0.0625","0.0631","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515253","11.9219","0.0004","12.6553","0.0004","13.531","0.0004","90","","106.461","0.002","90","","1957.82","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","jn203b","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C92 H80 Cl4 N4 O8 S4 -","4","2","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0426","0.0343","","","0.0778","0.0819","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515254","30.5539","0.0005","30.5539","","30.5539","","90","","90","","90","","28523.3","0.5","100","2","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C8 H10 Cd N4 -","- C7.5 H10 Cd N4 -","- C360 H480 Cd48 N192 -","48","0.5","","Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T.","Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange","Chemical Science","2012","3","11","3256","","10.1039/c2sc20558k","","","1.54184","CuKα","","0.0942","0.0673","","","0.2216","0.2352","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515255","7.3754","0.0002","11.0558","0.0003","9.6355","0.0003","90","","105.863","0.0017","90","","755.77","0.04","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N O2 -","- C8 H12 N O2 -","- C32 H48 N4 O8 -","4","1","","Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu","Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines","Chemical Science","2012","3","11","3249","","10.1039/c2sc20699d","","","1.54187","CuKα","","0.0577","0.0414","","","0.0964","0.1173","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515256","43.03","0.002","43.03","0.002","43.03","0.002","90","","90","","90","","79674","6","100","2","100","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","MMPF-4","","","- C156 H60 N12 O50 Zn19 -","- C156 H60 N12 O50 Zn19 -","- C1248 H480 N96 O400 Zn152 -","8","0.166667","","Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian","Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin","Chemical Science","2012","3","9","2823","","10.1039/c2sc20330h","","","0.41328","synchrotron","","0.1429","0.1163","","","0.2742","0.2905","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515257","22.521","0.015","22.521","0.015","22.521","0.015","90","","90","","90","","11423","13","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","MMPF-5","","","- C156 H60 Cd11 N12 O51 -","- C156 H60 Cd11 N12 O51 -","- C156 H60 Cd11 N12 O51 -","1","0.0208333","","Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian","Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin","Chemical Science","2012","3","9","2823","","10.1039/c2sc20330h","","","1.54178","CuKα","","0.1067","0.0816","","","0.2268","0.2483","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515258","32.152","0.003","32.152","0.003","31.611","0.003","90","","90","","120","","28300","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C169.5 H273 Mn7 N18 O37.5 -","- C169.5 H262.5 Mn7 N18 O37.5 -","- C1017 H1575 Mn42 N108 O225 -","6","0.333333","","Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten","Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet","Chemical Science","2012","3","9","2868","","10.1039/c2sc20649h","","","0.71073","MoKα","","0.0667","0.0551","","","0.1458","0.1669","","","","","","1.129","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515259","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C53.528 H67.584 N11 O12.8618 -","- C107.056 H135.168 N22 O25.7236 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515260","23.1428","0.0013","17.9913","0.001","27.126","0.002","90","","97.895","0.001","90","","11187.4","1.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C104 H118 N22 O20 -","- C104 H118 N22 O20 -","- C416 H472 N88 O80 -","4","0.5","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.1217","0.0783","","","0.2038","0.218","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515261","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C51.4132 H58.1198 N10.7066 O10 -","- C102.826 H116.24 N21.4132 O20 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515262","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C46.5868 H50.8802 N8.2934 O10 -","- C93.1736 H101.76 N16.5868 O20 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515263","31.769","0.002","20.0818","0.0012","24.852","0.002","90","","129.585","0.003","90","","12219.2","1.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H110 Cl9 N7 S24 -","- C108 H106 Cl5 N7 S24 -","- C432 H424 Cl20 N28 S96 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2891","0.1086","","","0.2212","0.2479","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515264","28.3045","0.0009","24.6469","0.0008","17.5652","0.0006","90","","90","","90","","12253.8","0.7","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C110 H127 Cl3 N6 S20 -","- C109 H132 Cl N6 S20 -","- C436 H528 Cl4 N24 S80 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","1.5418","CuKα","","0.152","0.0874","","","0.2161","0.2662","","","","","","1.651","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515265","29.858","0.006","14.168","0.003","21.609","0.004","90","","90","","90","","9141","3","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C79 H85 Cl8 N5 S16 -","- C79.5 H80 Cl8 N5 S16 -","- C318 H320 Cl32 N20 S64 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2526","0.1431","","","0.3074","0.3361","","","","","","1.673","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515266","11.8651","0.0004","11.5596","0.0003","15.509","0.0006","90","","112.201","0.004","90","","1969.45","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cd N2 -","- C18 H36 Cd N2 -","- C72 H144 Cd4 N8 -","4","1","","Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D.","Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium‒cadmium transmetallation?","Chemical Science","2012","3","9","2700","","10.1039/c2sc20392h","","","0.71073","MoKα","","0.042","0.0284","","","0.0512","0.0555","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515267","20.8494","0.0019","10","0.0007","13.5537","0.001","90","","90","","90","","2825.9","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H28 N6 Si -","- C32 H28 N6 Si -","- C128 H112 N24 Si4 -","4","0.5","","Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong","What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission","Chemical Science","2012","3","9","2737","","10.1039/c2sc20382k","","x-ray","1.5418","CuKα","","0.0588","0.0413","","","0.1049","0.1148","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515268","11.3125","0.0002","12.0218","0.0002","13.7304","0.001","102.179","0.007","107.108","0.008","93.227","0.007","1730.44","0.17","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","4","","Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A.","Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis","Chemical Science","2012","3","1","121","","10.1039/c1sc00441g","","","1.54187","CuKα","","","0.0562","","","","0.1611","","","","","","1.088","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515269","9.3108","0.001","16.3917","0.0017","10.7713","0.0011","90","","103.594","0.002","90","","1597.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","IPrAuF*2CH2Cl2","","","- C29 H40 Au Cl4 F N2 -","- C29 H40 Au Cl4 F N2 -","- C58 H80 Au2 Cl8 F2 N4 -","2","0.5","","Mankad, Neal P.; Toste, F. Dean","C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","1","72","76","10.1039/C1SC00515D","","","0.71073","MoKα","","0.0309","0.0282","","","0.0674","0.0693","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515270","7.4734","0.0019","46.036","0.012","6.1199","0.0016","90","","90","","90","","2105.5","0.9","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O -","- C24 H25 Br N2 O -","- C96 H100 Br4 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li","Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles","Chemical Science","2012","3","1","205","","10.1039/c1sc00517k","","","0.71073","MoKα","","0.0819","0.075","","","0.1864","0.1938","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515271","30.1073","0.0006","18.082","0.0003","22.4608","0.0004","90","","106.257","0.001","90","","11738.8","0.4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.5 H36 B F24 N5 P -","- C67.5 H36 B F24 N5 P -","- C540 H288 B8 F192 N40 P8 -","8","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.122","0.0759","","","0.1433","0.1619","","","","","","1.001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515272","29.5322","0.0005","10.3705","0.0002","41.5808","0.0008","90","","99.1602","0.0008","90","","12572.3","0.4","93","2","93","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C596 H178 Cl26 F192 N40 O8 P8 -","8","2","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1505","0.0993","","","0.2551","0.2961","","","","","","0.988","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515273","19.4591","0.0005","8.6913","0.0002","37.1609","0.0011","90","","94.5998","0.0018","90","","6264.6","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H30 F24 N5 P S -","- C76 H30 F24 N5 P S -","- C304 H120 F96 N20 P4 S4 -","4","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1038","0.0675","","","0.1293","0.15","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515274","10.1849","0.0005","14.9773","0.0008","17.6759","0.001","85.568","0.003","88.271","0.003","76.766","0.003","2616.7","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C57.75 H11 Cl3 F24 N6 O1.5 P -","- C57.749 H11 Cl2.996 F24 N6 O1.502 P -","- C115.498 H22 Cl5.992 F48 N12 O3.004 P2 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1922","0.119","","","0.2902","0.3747","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515275","15.8942","0.0005","16.2322","0.0005","17.6688","0.0006","89.748","0.001","72.741","0.002","63.537","0.001","3853.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C14 H21 N9 O6 -","- C14 H21 N9 O6 -","- C112 H168 N72 O48 -","8","8","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0536","0.044","","","0.1069","0.1117","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515276","6.8516","0.0004","26.1435","0.0015","12.6653","0.0007","90","","102.975","0.003","90","","2210.7","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C48 H140 N12 O60 S4 -","2","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0524","0.0437","","","0.1022","0.106","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515277","6.7453","0.0001","25.6806","0.0005","25.6822","0.0005","90","","90","","90","","4448.76","0.14","170","","170","","","","","","","","Synthesized by the authors. See text","5","C 2 2 21","C 2c 2","20","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C96 H280 N24 O120 S8 -","4","0.5","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.035","0.0335","","","0.1016","0.103","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515278","6.6138","0.0004","16.3922","0.001","23.9598","0.0014","101.113","0.003","92.328","0.003","95.176","0.003","2534","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","1","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0893","0.0766","","","0.1888","0.1971","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515283","12.1653","0.0016","6.7288","0.0008","10.3724","0.0011","90","","104.751","0.005","90","","821.08","0.17","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B H8 Li N2 -","- B H8 Li N2 -","- B8 H64 Li8 N16 -","8","2","","He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping","Borohydride hydrazinates: high hydrogen content materials for hydrogen storage","Energy & Environmental Science","2012","5","2","5686","","10.1039/c2ee03205h","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.10167","","1.74","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515284","12.0187","0.0006","6.49642","0.00032","7.6645","0.0005","90","","90","","90","","598.43","0.06","","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B H12 Li N4 -","- B H12 Li N4 -","- B4 H48 Li4 N16 -","4","1","","He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping","Borohydride hydrazinates: high hydrogen content materials for hydrogen storage","Energy & Environmental Science","2012","5","2","5686","","10.1039/c2ee03205h","powder diffraction","x-ray","1.238","synchrotron","","","","","","","","0.2003","","1.2","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515285","19.9269","0.001","15.0019","0.0008","21.745","0.0011","90","","102.643","0.0007","90","","6342.9","0.6","296.15","","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H91 B2 F8 N5 Ni O4 P4 -","- C62 H91 B2 F8 N5 Ni O4 P4 -","- C248 H364 B8 F32 N20 Ni4 O16 P16 -","4","0.5","","Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.; DuBois, Daniel L.; Kubiak, Clifford P.","Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes","Energy & Environmental Science","2012","5","4","6480","","10.1039/c2ee03341k","","","0.71073","MOKα","","0.0533","0.0419","","","0.1308","0.1437","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515286","16.076","0.004","23.952","0.005","17.49","0.004","90","","108.075","0.003","90","","6402","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 B Cl3 Mg2 O6 -","- C54 H80 B Cl3 Mg2 O6 -","- C216 H320 B4 Cl12 Mg8 O24 -","4","1","","Guo, Yong-sheng; Zhang, Fan; Yang, Jun; Wang, Fei-fei; NuLi, Yanna; Hirano, Shin-ichi","Boron-based electrolyte solutions with wide electrochemical windows for rechargeable magnesium batteries","Energy & Environmental Science","2012","5","10","9100","","10.1039/c2ee22509c","","","0.71073","MoKα","","0.1442","0.1031","","","0.2969","0.3265","","","","","","1.073","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515287","12.9569","0.0003","13.0714","0.0003","13.4709","0.0003","77.757","0.001","85.936","0.001","72.074","0.001","2121.33","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Al Cl5 Mg2 O6 -","- C36 H58 Al Cl5 Mg2 O6 -","- C72 H116 Al2 Cl10 Mg4 O12 -","2","1","","Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari","Electrolyte roadblocks to a magnesium rechargeable battery","Energy & Environmental Science","2012","5","3","5941","","10.1039/c2ee03029b","","","0.71073","MoKα","","0.0478","0.0331","","","0.0735","0.0797","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515288","16.4151","0.0016","16.5787","0.0016","18.5617","0.0019","90","","109.364","0.001","90","","4765.6","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 B Cl3 Mg2 O6 -","- C48 H68 B Cl3 Mg2 O6 -","- C192 H272 B4 Cl12 Mg8 O24 -","4","1","","Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari","Electrolyte roadblocks to a magnesium rechargeable battery","Energy & Environmental Science","2012","5","3","5941","","10.1039/c2ee03029b","","","0.71073","MoKα","","0.0443","0.0345","","","0.086","0.0925","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515289","9.333","0.003","10.316","0.003","15.611","0.004","93.677","0.005","90.998","0.005","95.767","0.005","1491.9","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H30 Cl2 N3 Ni O2 P S -","- C29 H30 Cl2 N3 Ni O2 P S -","- C58 H60 Cl4 N6 Ni2 O4 P2 S2 -","2","1","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.0927","0.0507","","","0.1209","0.1321","","","","","","0.892","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515290","7.7387","0.0005","24.7405","0.0018","27.364","0.002","90","","90","","90","","5239.1","0.6","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Cl N3 O P Pd S -","- C27 H23 Cl N3 O P Pd S -","- C216 H184 Cl8 N24 O8 P8 Pd8 S8 -","8","1","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.0595","0.0329","","","0.062","0.0714","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515291","8.4072","0.0003","16.1292","0.0006","20.8979","0.0007","80.612","0.002","88.34","0.002","87.39","0.002","2792.26","0.17","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C27.5 H25 As Cl N3 O1.5 Pd S -","- C27.5 H25 As Cl N3 O1.5 Pd S -","- C110 H100 As4 Cl4 N12 O6 Pd4 S4 -","4","2","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.1425","0.0597","","","0.1168","0.1502","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515292","11.5473","0.0002","18.9633","0.0003","16.926","0.0003","90","","98.798","0.002","90","","3662.76","0.11","130","2","130.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H35 Ag O3 P2 -","- C43 H35 Ag O3 P2 -","- C172 H140 Ag4 O12 P8 -","4","2","","Banti, C. N.; Giannoulis, A. D.; Kourkoumelis, N.; Owczarzak, A. M.; Poyraz, M.; Kubicki, M.; Charalabopoulos, K.; Hadjikakou, S. K.","Mixed ligand-silver(I) complexes with anti-inflammatory agents which can bind to lipoxygenase and calf-thymus DNA, modulating their function and inducing apoptosis.","Metallomics : integrated biometal science","2012","4","6","545","560","10.1039/c2mt20039b","","","1.5418","CuKα","","0.0911","0.0862","","","0.2447","0.2486","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515293","12.9853","0.0006","14.4886","0.0006","20.9329","0.0009","90","","105.248","0.001","90","","3799.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl3 Fe N2 O S -","- C17 H15 Cl3 Fe N2 O S -","- C136 H120 Cl24 Fe8 N16 O8 S8 -","8","2","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy","Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity.","Metallomics : integrated biometal science","2012","4","5","498","511","10.1039/c2mt00004k","","","0.71075","MoKα","","0.0315","0.0284","","","0.0729","0.0748","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515294","13.766","0.002","17.839","0.003","20.779","0.003","90","","119.372","0.003","90","","4446.8","1.2","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 Cu Fe N2 O P2 S -","- C52 H43 Cu Fe N2 O P2 S -","- C208 H172 Cu4 Fe4 N8 O4 P8 S4 -","4","1","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy","Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity.","Metallomics : integrated biometal science","2012","4","5","498","511","10.1039/c2mt00004k","","","0.71073","MoKα","","0.067","0.0453","","","0.1017","0.1142","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515295","12.4564","0.0003","8.7526","0.0002","14.9349","0.0004","90","","96.602","0.002","90","","1617.49","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Cl2 Cu N5 O -","- C13 H17 Cl2 Cu N5 O -","- C52 H68 Cl8 Cu4 N20 O4 -","4","1","","Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim","Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation.","Metallomics : integrated biometal science","2012","4","9","910","920","10.1039/c2mt20113e","","","0.71073","MoKα","","0.0685","0.0506","","0.0925","0.0501","0.0443","","","","","","1.137","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515296","7.1753","0.0003","9.9395","0.0004","11.0467","0.0005","75.271","0.003","74.091","0.003","80.029","0.003","728.22","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N6 O9 Zn -","- C9 H10 N6 O9 Zn -","- C18 H20 N12 O18 Zn2 -","2","1","","Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim","Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation.","Metallomics : integrated biometal science","2012","4","9","910","920","10.1039/c2mt20113e","","","0.71073","MoKα","","0.0444","0.0314","","0.0456","0.0316","0.0315","","","","","","1.1068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515297","10.8935","0.0002","14.4989","0.0002","15.1823","0.0003","90","","90","","90","","2397.95","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Cl4 N2 O4 Pt -","- C18 H32 Cl4 N2 O4 Pt -","- C72 H128 Cl16 N8 O16 Pt4 -","4","1","","Kaluđerović, Goran N; Mijatović, Sanja A; Zmejkovski, Bojana B.; Bulatović, Mirna Z; Gómez-Ruiz, Santiago; Mojić, Marija K; Steinborn, Dirk; Miljković, Djordje M; Schmidt, Harry; Stošić-Grujičić, Stanislava D; Sabo, Tibor J.; Maksimović-Ivanić, Danijela D","Platinum(II/IV) complexes containing ethylenediamine-N,N'-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells.","Metallomics : integrated biometal science","2012","4","9","979","987","10.1039/c2mt20058a","","","0.71073","MoKα","","0.0521","0.0397","","","0.0801","0.0824","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515298","9.659","0.0002","11.2079","0.0003","27.4126","0.0007","90","","90","","90","","2967.61","0.13","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N4 O P Pd S -","- C31 H33 N4 O P Pd S -","- C124 H132 N16 O4 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.1336","0.0484","","","0.0649","0.0842","","","","","","0.859","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515299","9.6836","0.0002","11.1912","0.0002","27.4533","0.0005","90","","90","","90","","2975.14","0.1","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N4 O P Pd S -","- C30 H31 N4 O2 P Pd S -","- C120 H124 N16 O8 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.093","0.0513","","","0.065","0.0716","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515300","9.8285","0.0002","11.3287","0.0002","27.6805","0.0007","90","","90","","90","","3082.06","0.11","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N4 O P Pd S -","- C32 H35 N4 O P Pd S -","- C128 H140 N16 O4 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.1061","0.043","","","0.0647","0.0756","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515301","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Kataoka, Keisuke; Katagiri, Toshimasa","Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal.","Nanoscale","2012","4","16","5098","5101","10.1039/c2nr30940h","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515302","25.254","0.003","14.979","0.0018","19.724","0.002","90","","94.323","0.001","90","","7440","1.5","90","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C126.95 H54.95 Cl0.63 N4 Ni Sm -","- C127.074 H55.164 Cl1.135 N4 Ni Sm0.9386 -","- C508.295 H220.656 Cl4.54 N16 Ni4 Sm3.7544 -","4","0.5","","Xu, Wei; Niu, Ben; Shi, Zujin; Lian, Yongfu; Feng, Lai","Sm@C2v(3)-C80: site-hopping motion of endohedral Sm atom and metal-induced effect on redox profile.","Nanoscale","2012","4","21","6876","6879","10.1039/c2nr32193a","","","0.71073","MoKα","","0.0899","0.0706","","","0.1773","0.1933","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515303","17.1975","0.0009","22.7109","0.0011","23.24","0.0012","94.052","0.003","104.128","0.003","106.292","0.003","8353.9","0.8","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H89.45 N12 O28.47 S4 Sn Zn -","- C88.004 H63.8447 N12.0007 O28.48 S4 Sn Zn -","- C264.012 H191.534 N36.002 O85.44 S12 Sn3 Zn3 -","3","1.5","","Tian, Yongming; Beavers, Christine M.; Busani, Tito; Martin, Kathleen E.; Jacobsen, John L.; Mercado, Brandon Q.; Swartzentruber, Brian S.; van Swol, Frank; Medforth, Craig J.; Shelnutt, John A.","Binary ionic porphyrin nanosheets: electronic and light-harvesting properties regulated by crystal structure.","Nanoscale","2012","4","5","1695","1700","10.1039/c2nr11826b","","","0.7749","synchrotron","","0.1108","0.0821","","","0.255","0.2806","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515304","10.0164","0.0008","12.4022","0.0009","14.8694","0.001","89.2116","0.0019","73.399","0.002","73.308","0.002","1690.9","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H88 Ag4 I8 N4 -","- C52 H88 Ag4 I8 N4 -","- C52 H88 Ag4 I8 N4 -","1","0.5","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1152","0.0547","","","0.1044","0.1624","","","","","","1.223","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515305","7.1475","0.0006","9.7391","0.0007","18.189","0.002","102.28","0.02","98.07","0.03","90.85","0.02","1223.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H34 Ag2 I3 N -","- C15 H34 Ag2 I3 N -","- C30 H68 Ag4 I6 N2 -","2","1","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.094","0.045","","","0.0892","0.1371","","","","","","1.306","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515306","9.189","0.003","10.093","0.003","23.519","0.009","83.515","0.013","88.522","0.013","68.316","0.012","2013.6","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H56 Ag4 I5 N -","- C26 H56 Ag4 I5 N -","- C52 H112 Ag8 I10 N2 -","2","1","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1034","0.0766","","","0.1608","0.1693","","","","","","1.277","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515307","12.263","0.003","24.775","0.005","24.888","0.005","90","","91.51","0.03","90","","7559","3","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C209 H338 Ag16 Cl18 I32 N16 -","- C209 H338 Ag16 Cl18 I32 N16 -","- C209 H338 Ag16 Cl18 I32 N16 -","1","0.5","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1058","0.0867","","","0.1897","0.2046","","","","","","1.458","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515308","40.575","0.009","19.793","0.005","37.187","0.009","90","","116.285","0.003","90","","26777","11","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C220 H172 Br12 Cd12 N4 O20 P8 Pt26 -","- C220 H172 Br12 Cd12 N4 O20 P8 Pt26 -","- C880 H688 Br48 Cd48 N16 O80 P32 Pt104 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zarra, Salvatore","Surface decorated platinum carbonyl clusters.","Nanoscale","2012","4","14","4166","4177","10.1039/c2nr30400g","","","0.71073","MoKα","","0.1753","0.0885","","","0.2229","0.2872","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515309","19.014","0.004","19.296","0.008","20.388","0.005","109.55","0.004","116.364","0.003","93.478","0.004","6119","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C195.7 H193.96 Br12.57 Cd12 N10.57 O30.57 P6 Pt26.57 -","- C195.686 H193.934 Br12.562 Cd12 N10.562 O30.562 P6 Pt26.562 -","- C195.686 H193.934 Br12.562 Cd12 N10.562 O30.562 P6 Pt26.562 -","1","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zarra, Salvatore","Surface decorated platinum carbonyl clusters.","Nanoscale","2012","4","14","4166","4177","10.1039/c2nr30400g","","","0.71073","MoKα","","0.2144","0.0964","","","0.2214","0.2842","","","","","","0.979","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515310","10.6241","0.0008","9.6218","0.0007","22.951","0.0016","90","","93.646","0.002","90","","2341.4","0.3","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C112 H128 N8 O8 -","4","1","","Bergen, Anna; Bohne, Cornelia; Fuentealba, Denis; Ihmels, Heiko; Pace, Tamara C. S.; Waidelich, Michael; Yihwa, Chang; Willem Bats, Jan","Studies of the solvatochromic emission properties of N-aroylurea derivatives I: Influence of the substitution pattern.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","4","752","767","10.1039/c2pp05386a","","","0.71073","MoKα","","0.237","0.1095","","","0.1316","0.1627","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515311","29.964","0.008","12.267","0.003","10.108","0.003","90","","95.426","0.009","90","","3698.7","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H16.5 N O2 -","- C200 H132 N8 O16 -","8","2","","Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.","Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","7","1239","1250","10.1039/c2pp25033k","","","0.71073","MoKα","","0.3717","0.0892","","","0.131","0.2291","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515312","12.847","0.005","8.845","0.004","32.399","0.013","90","","90","","90","","3682","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C200 H136 N8 O16 -","8","1","","Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.","Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","7","1239","1250","10.1039/c2pp25033k","","","0.71073","MoKα","","0.1192","0.0535","","","0.1219","0.1569","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515313","5.07","0.001","22.07","0.004","8.31","0.0017","90","","100.85","0.03","90","","913.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ThyAcetate","Thymine Acetate","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71068","synchrotron","","0.0524","0.0469","","","0.1204","0.1247","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515314","8.927","0.0018","14.369","0.003","7.764","0.0016","90","","90.6","0.03","90","","995.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ThyPropOate","ThyPropOate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71253","synchrotron","","0.087","0.0841","","","0.2074","0.2106","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515315","4.913","0.001","20.405","0.004","8.592","0.0017","90","","101.9","0.03","90","","842.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thymine PropOic","Thymine propanoic acid","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71072","synchrotron","","0.0601","0.0577","","","0.1552","0.1568","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515316","7.3571","0.0015","15.243","0.003","15.854","0.003","90","","90.18","0.03","90","","1777.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ThyPropAmide","ThyPropAmide","","- C8 H11 N3 O3 -","- C8 H11 N3 O3 -","- C64 H88 N24 O24 -","8","2","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71073","MoKα","","0.0539","0.037","","","0.0814","0.0891","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515317","7.6","0.0015","8.9","0.0018","9.45","0.0019","96.93","0.03","111.13","0.03","101.53","0.03","571.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","ButBisThyPropOic_Compound9","ButBisThyPropOic","","- C20 H30 N4 O10 -","- C20 H30 N4 O10 -","- C20 H30 N4 O10 -","1","0.5","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71069","synchrotron","","0.0536","0.0502","","","0.1319","0.1346","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515318","9.569","0.0019","17.605","0.004","10.472","0.002","90","","114.97","0.03","90","","1599.2","0.7","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H34 Cl2 N4 O4 Zn -","- C35 H34 Cl2 N4 O4 Zn -","- C70 H68 Cl4 N8 O8 Zn2 -","2","1","","Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu","Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","1069","1080","10.1039/c2pp25016k","","","0.71073","MoKα","","0.0283","0.0277","","","0.0752","0.0758","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515319","8.4036","0.0017","15.247","0.003","19.754","0.004","81.67","0.03","85.68","0.03","77.22","0.03","2439.9","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N4 O3 Zn -","- C52 H58 N4 O3 Zn -","- C104 H116 N8 O6 Zn2 -","2","1","","Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu","Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","1069","1080","10.1039/c2pp25016k","","","0.7","synchrotron","","0.1596","0.1021","","","0.2238","0.2523","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515320","10.232","0.006","12.112","0.007","12.792","0.008","76.697","0.014","79.053","0.019","81.737","0.019","1506.4","1.6","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C35 H38 N4 Ni O5 -","- C35 H38 N4 Ni O5 -","- C70 H76 N8 Ni2 O10 -","2","2","","Tamiaki, Hitoshi; Okamoto, Yukihiro; Mikata, Yuji; Shoji, Sunao","Photooxidative cleavage of zinc 20-substituted chlorophyll derivatives: conformationally P-helix-favored formation of regioselectively 19-20 opened linear tetrapyrroles.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","898","907","10.1039/c1pp05301a","","","0.7107","MoKα","","","0.0579","","","","0.1461","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515321","6.4052","0.0004","7.0492","0.0005","29.396","0.002","90","","90","","90","","1327.27","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0546","0.0429","","","0.0889","0.0926","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515322","6.4759","0.0005","33.28","0.002","6.8092","0.0003","90","","116.291","0.006","90","","1315.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N -","- C17 H20 F N -","- C68 H80 F4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.077","0.0503","","","0.1027","0.1117","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515323","27.27","0.003","6.4963","0.0003","16.418","0.002","90","","107.59","0.008","90","","2772.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C136 H160 Cl8 N8 -","8","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0395","0.0317","","","0.0803","0.0854","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515324","27.68","0.003","6.5071","0.0003","16.548","0.002","90","","108.15","0.008","90","","2832.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Br N -","- C17 H20 Br N -","- C136 H160 Br8 N8 -","8","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0431","0.0268","","","0.053","0.057","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515325","6.7598","0.0004","6.7421","0.0002","15.7289","0.0005","90","","93.646","0.004","90","","715.4","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O -","- C18 H23 N O -","- C36 H46 N2 O2 -","2","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0405","0.0369","","","0.0986","0.1005","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515326","9.2529","0.0009","15.6034","0.0008","12.4998","0.001","90","","91.055","0.009","90","","1804.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl N -","- C22 H28 Cl N -","- C88 H112 Cl4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0555","0.0417","","","0.091","0.0968","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515327","9.6458","0.0008","15.645","0.002","12.6055","0.0007","90","","91.295","0.006","90","","1901.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl N -","- C23 H30 Cl N -","- C92 H120 Cl4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0663","0.0468","","","0.1023","0.11","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515328","11.276","0.001","12.1","0.001","20.803","0.002","90","","90","","90","","2838.4","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","- C136 H168 Cl8 N8 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0611","0.039","","","0.0747","0.0808","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515329","6.4218","0.0005","10.3","0.002","10.942","0.001","84.03","0.02","82.99","0.01","83.11","0.01","710.22","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","1","0.5","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0864","0.0522","","","0.1157","0.1288","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515330","11.339","","30.546","","13.56","","90","","100.98","","90","","4610.68","","213","2","213","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H61 B F2 N4 O11 -","- C46 H61 B F2 N4 O11 -","- C184 H244 B4 F8 N16 O44 -","4","1","","Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D.","Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates","Photochemical & Photobiological Sciences","2012","11","11","1666","","10.1039/c2pp25130b","","","1.54178","CuKα","","0.2002","0.1351","","","0.3753","0.4437","","","","","","1.526","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515331","31.941","0.006","13.922","0.003","23.065","0.005","90","","101.67","0.03","90","","10045","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H59 B F2 N4 O10 -","- C50 H59 B F2 N4 O10 -","- C400 H472 B8 F16 N32 O80 -","8","1","","Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D.","Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates","Photochemical & Photobiological Sciences","2012","11","11","1666","","10.1039/c2pp25130b","","","1.54178","CuKα","","0.1743","0.1475","","","0.4223","0.4489","","","","","","1.821","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515332","11.3513","0.0019","5.7944","0.001","11.73","0.002","90","","117.303","0.006","90","","685.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C32 H38 N2 O4 -","2","1","","Rossegger, Elisabeth; Oláh, László; Fischer, Roland; Kaschnitz, Petra; Varga, Olívia; Kállay, Mihály; Scheipl, Gregor; Stelzer, Franz; Wiesbrock, Frank","Synthesis of a poly(2-azanorbornene) with a high degree of cis-TT-stereoregularity and a regular secondary solution structure","Polymer Chemistry","2012","3","10","2760","","10.1039/c2py20219k","","","0.71073","MoKα","","0.0979","0.0503","","","0.0837","0.095","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515333","9.713","0.0019","15.277","0.003","16.407","0.003","81.79","0.03","84.01","0.03","76.97","0.03","2341","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 Cl2 Co N3 -","- C51 H47 Cl2 Co N3 -","- C102 H94 Cl4 Co2 N6 -","2","1","","Lai, Jingjuan; Zhao, Weizhen; Yang, Wenhong; Redshaw, Carl; Liang, Tongling; Liu, Yongwen; Sun, Wen-Hua","2-[1-(2,4-Dibenzhydryl-6-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylcobalt(ii) dichlorides: Synthesis, characterization and ethylene polymerization behavior","Polymer Chemistry","2012","3","3","787","","10.1039/c2py00590e","","","0.71073","MoKα","","","0.0698","","","0.1791","0.1934","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515334","14.0269","0.0003","14.0772","0.0003","9.7274","0.0002","90","","98.318","0.001","90","","1900.56","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 B N O -","- C25 H20 B N O -","- C100 H80 B4 N4 O4 -","4","1","","Cheng, Fei; Bonder, Edward M.; Doshi, Ami; Jäkle, Frieder","Organoboron star polymers via arm-first RAFT polymerization: synthesis, luminescent behavior, and aqueous self-assembly","Polymer Chemistry","2012","3","3","596","","10.1039/c2py00556e","","","1.54178","CuKα","","0.0401","0.0367","","","0.0989","0.1022","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515335","9.3233","0.0001","14.8844","0.0002","15.9251","0.0002","90","","90","","90","","2209.95","0.05","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong","Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection","Polymer Chemistry","2012","3","6","1481","","10.1039/c2py20057k","","","1.54178","CuKα","","0.0276","0.0253","","","0.0704","0.0716","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515336","20.918","0.014","5.5926","0.0018","19.778","0.009","90","","107.11","0.07","90","","2211","2","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","0.5","","Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong","Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection","Polymer Chemistry","2012","3","6","1481","","10.1039/c2py20057k","","","1.54178","CuKα","","0.1431","0.0613","","","0.0864","0.0995","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515337","11.8246","0.0002","13.8037","0.0003","14.9944","0.0003","114.804","0.001","105.639","0.001","98.943","0.001","2035.95","0.08","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H17 Cl0.5 N6 -","- C22.5 H17 Cl0.5 N6 -","- C90 H68 Cl2 N24 -","4","2","","Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko","Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines","Polymer Chemistry","2012","3","6","1427","","10.1039/c2py20079a","","","1.54187","CuKα","","0.0514","0.0455","","","0.1266","0.1332","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515338","12.1481","0.0003","12.1481","0.0003","10.9626","0.0004","90","","90","","90","","1617.82","0.08","193","","193","","","","","","","","","3","I 41","I 4bw","80","","","","- C20 H11 N5 -","- C20 H11 N5 -","- C80 H44 N20 -","4","0.5","","Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko","Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines","Polymer Chemistry","2012","3","6","1427","","10.1039/c2py20079a","","","1.54187","CuKα","","0.0473","0.0456","","","0.1193","0.1205","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515339","22.338","0.003","4.7901","0.0007","17.757","0.003","90","","113.326","0.007","90","","1744.7","0.5","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 O S6 -","- C16 H12 O S6 -","- C64 H48 O4 S24 -","4","2","","Kaur, Sandeep; Findlay, Neil J.; Kanibolotsky, Alexander L.; Elmasly, Saadeldin E. T.; Skabara, Peter J.; Berridge, Rory; Wilson, Claire; Coles, Simon J.","Electrochromic properties of a poly(dithienylfuran) derivative featuring a redox-active dithiin unit","Polymer Chemistry","2012","3","8","2277","","10.1039/c2py20277h","","x-ray","0.71073","MoKα","","0.1752","0.1187","","","0.2303","0.2654","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515340","8.56617","0.00018","34.5561","0.0006","7.35229","0.00014","90","","95.27","0.0018","90","","2167.18","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 O3 -","- C25 H24 N4 O3 -","- C100 H96 N16 O12 -","4","1","","Rayner, Georgina; Smith, Timothy; Barton, William; Newton, Mark; Deeth, Robert J.; Prokes, Ivan; Clarkson, Guy J.; Haddleton, David M.","A comparison of verdazyl radicals modified at the 3-position as mediators in the living radical polymerisation of styrene and n-butyl acrylate","Polymer Chemistry","2012","3","8","2254","","10.1039/c2py20217d","","","1.54184","CuKα","","0.0401","0.038","","","0.0982","0.0998","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515341","5.8594","0.0012","19.801","0.004","10.253","0.002","90","","97.18","0.03","90","","1180.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher","Palladium-containing polymers via a combination of RAFT and triazole chemistry","Polymer Chemistry","2012","3","9","2413","","10.1039/c2py20242e","","","0.71073","MoKα","","0.0945","0.0548","","","0.1114","0.1242","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515342","9.907","0.002","10.194","0.002","19.177","0.004","79.28","0.03","76.22","0.03","62.5","0.03","1661.9","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H15 Cl2 N4 O0.5 Pd S0.5 -","- C15 H15 Cl2 N4 O0.5 Pd S0.5 -","- C60 H60 Cl8 N16 O2 Pd4 S2 -","4","2","","Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher","Palladium-containing polymers via a combination of RAFT and triazole chemistry","Polymer Chemistry","2012","3","9","2413","","10.1039/c2py20242e","","","0.71073","MoKα","","0.0805","0.0691","","","0.1856","0.195","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515343","22.999","0.003","9.6368","0.0012","17.2702","0.0016","90","","100.665","0.002","90","","3761.6","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H70 Cl2 N2 O2 -","- C31 H70 Cl2 N2 O2 -","- C124 H280 Cl8 N8 O8 -","4","1","","Wei, Xi-Lian; Wang, Xiu-Hong; Sun, De-Zhi; Liu, Ji-Feng; Liu, Jie; Sha, Yu-Hong; Wang, Zhong-Ni","Phase and rheological behavior of a gemini cationic surfactant aqueous system","Soft Matter","2012","8","39","10115","","10.1039/c2sm26346g","","","0.71073","MoKα","","0.1585","0.0591","","","0.1326","0.1566","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515344","27.977","0.003","9.5824","0.0009","17.1634","0.0015","90","","102.438","0.002","90","","4493.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H86 Cl2 N2 O2 -","- C39 H86 Cl2 N2 O2 -","- C156 H344 Cl8 N8 O8 -","4","1","","Wei, Xi-Lian; Wang, Xiu-Hong; Sun, De-Zhi; Liu, Ji-Feng; Liu, Jie; Sha, Yu-Hong; Wang, Zhong-Ni","Phase and rheological behavior of a gemini cationic surfactant aqueous system","Soft Matter","2012","8","39","10115","","10.1039/c2sm26346g","","","0.71073","MoKα","","0.2465","0.0838","","","0.1673","0.2094","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515345","6.1385","0.0002","14.6387","0.0005","37.9634","0.0009","83.436","0.002","86","0.003","80.353","0.003","3336.63","0.18","123","0.1","123","0.1","","","","","","","","4","P 1","P 1","1","","","","- C142 H226 N10 O16 -","- C142 H226 N10 O16 -","- C142 H226 N10 O16 -","1","1","","Svobodová, Hana; Nonappa,; Lahtinen, Manu; Wimmer, Zdeněk; Kolehmainen, Erkki","A steroid-based gelator of A(LS)2 type: tuning gel properties by metal coordination","Soft Matter","2012","8","30","7840","","10.1039/c2sm25259g","","","1.5418","CuKα","","0.0979","0.0716","","","0.1819","0.2056","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515346","5.0665","0.0002","43.206","0.002","14.1396","0.0008","90","","99.686","0.003","90","","3051.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H35 N3 O6 -","- C31 H35 N3 O6 -","- C124 H140 N12 O24 -","4","2","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Photo-induced charge-transfer complex formation and organogelation by a tripeptide","Soft Matter","2012","8","20","5621","","10.1039/c2sm25062d","","","0.71073","MoKα","","0.0758","0.0552","","","0.1228","0.1321","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515347","17.9224","0.0013","26.39","0.002","9.0841","0.0007","90","","99.7","0.002","90","","4235.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cd N3 O23 -","- C30 H18 Cd N3 O11 -","- C120 H72 Cd4 N12 O44 -","4","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","A crystal engineering rationale in designing a CdII coordination polymer based metallogel derived from a C3 symmetric tris-amide-tris-carboxylate ligand","Soft Matter","2012","8","29","7623","","10.1039/c2sm25717c","","","0.71073","MoKα","","0.0636","0.0437","","","0.0934","0.1023","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515348","8.4599","0.0002","8.5465","0.0002","16.5655","0.0004","81.9423","0.0011","76.9685","0.0011","72.9996","0.001","1112.34","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C38 H60 F6 N4 O6 S2 -","- C38 H60 F6 N4 O6 S2 -","- C38 H60 F6 N4 O6 S2 -","1","0.5","","Noujeim, Nadim; Samsam, Salim; Eberlin, Ludovic; Sanon, Samantha H.; Rochefort, Dominic; Schmitzer, Andreea R.","Mesomorphic and ion conducting properties of dialkyl(1,4-phenylene)diimidazolium salts","Soft Matter","2012","8","42","10914","","10.1039/c2sm26213d","","","1.54178","CuKα","","0.0443","0.043","","","0.1151","0.1163","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515349","5.8926","0.0001","17.4576","0.0005","25.4302","0.0007","79","0.001","89.243","0.001","81.121","0.001","2536.83","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H58 F12 N6 O8 S4 -","- C40 H58.5 F12 N6 O8 S4 -","- C80 H117 F24 N12 O16 S8 -","2","1","","Noujeim, Nadim; Samsam, Salim; Eberlin, Ludovic; Sanon, Samantha H.; Rochefort, Dominic; Schmitzer, Andreea R.","Mesomorphic and ion conducting properties of dialkyl(1,4-phenylene)diimidazolium salts","Soft Matter","2012","8","42","10914","","10.1039/c2sm26213d","","","1.54178","CuKα","","0.1116","0.1037","","","0.4059","0.4209","","","","","","1.952","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515350","6.4221","0.0011","14.631","0.003","15.001","0.003","95.239","0.006","94.88","0.007","99.656","0.007","1376.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H43 N3 O4 -","- C29 H43 N3 O4 -","- C58 H86 N6 O8 -","2","1","","Sahoo, Pathik; Chakraborty, Indrajit; Dastidar, Parthasarathi","Reverse thermal gelation of aromatic solvents by a series of easily accessible organic salt based gelators","Soft Matter","2012","8","9","2595","","10.1039/c2sm06957a","","","0.71073","MoKα","","0.1428","0.0634","","","0.1386","0.1769","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515351","6.323","0.003","14.956","0.007","16.823","0.008","113.73","0.006","95.041","0.007","94.696","0.007","1438.7","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H45 N3 O4 -","- C29.95 H9 N3 O4 -","- C59.9 H18 N6 O8 -","2","1","","Sahoo, Pathik; Chakraborty, Indrajit; Dastidar, Parthasarathi","Reverse thermal gelation of aromatic solvents by a series of easily accessible organic salt based gelators","Soft Matter","2012","8","9","2595","","10.1039/c2sm06957a","","","0.71073","MoKα","","0.1463","0.1073","","","0.3101","0.3499","","","","","","1.279","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515352","7.436","0.0005","27.0637","0.0018","10.927","0.0008","90","","90","","90","","2199","0.3","220","2","220","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C108 H96 O24 -","4","0.5","","Weissflog, Wolfgang; Baumeister, Ute; Tamba, Maria-Gabriela; Pelzl, Gerhard; Kresse, Horst; Friedemann, Rudolf; Hempel, Günther; Kurz, Ricardo; Roos, Matthias; Merzweiler, Kurt; Jákli, Antal; Zhang, Cuiyu; Diorio, Nicholas; Stannarius, Ralf; Eremin, Alexey; Kornek, Ulrike","Unexpected liquid crystalline behaviour of three-ring bent-core mesogens: bis(4-subst.-phenyl) 2-methyl-iso-phthalates","Soft Matter","2012","8","9","2671","","10.1039/c2sm07064b","","","0.71073","MoKα","","0.063","0.0394","","","0.09","0.0988","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515353","35.285","0.015","4.651","0.002","12.784","0.005","90","","97.518","0.007","90","","2080","1.5","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C88 H120 N16 O8 -","4","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0888","0.0762","","","0.196","0.2024","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515354","12.317","0.002","4.6108","0.0008","19.488","0.003","90","","107.519","0.004","90","","1055.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C46 H64 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.104","0.0624","","","0.1354","0.1628","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515355","12.1914","0.0014","4.6342","0.0006","17.341","0.002","90","","107.849","0.005","90","","932.6","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","12","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.1602","0.0972","","","0.2219","0.255","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515356","4.5914","0.0001","19.6481","0.0004","11.2393","0.0003","90","","90.872","0.001","90","","1013.81","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","14 form 2","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0488","0.0376","","","0.0886","0.0944","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515357","12.275","0.004","4.6302","0.0015","20.791","0.007","90","","102.108","0.009","90","","1155.4","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17","","- C25 H36 N4 O2 -","- C25 H36 N4 O2 -","- C50 H72 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0789","0.0625","","","0.1518","0.1623","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515408","5.48322","0.00009","41.7378","0.0007","7.65094","0.00013","90","","107.176","0.0009","90","","1672.89","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N S2 -","- C19 H23 N S2 -","- C76 H92 N4 S8 -","4","1","","Allard, Nicolas; Najari, Ahmed; Pouliot, Jean-Rémi; Pron, Agnieszka; Grenier, François; Leclerc, Mario","Easy and versatile synthesis of new poly(thieno[3,4-d]thiazole)s","Polymer Chemistry","2012","3","10","2875","","10.1039/c2py20422c","","","1.54178","CuKα","","0.0414","0.0396","","","0.0965","0.0973","","","","","","1.185","","","","has coordinates,has disorder","288643","2024-01-03","14:02:40",""
"1516042","6.02881","0.00012","9.88517","0.00019","20.4701","0.0004","90","","97.8757","0.0008","90","","1208.43","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H22 N2 O4 -","- C9 H22 N2 O4 -","- C36 H88 N8 O16 -","4","1","","Hasib-ur-Rahman, Muhammad; Larachi, Faïçal","CO2 capture in alkanolamine-RTIL blends via carbamate crystallization: route to efficient regeneration.","Environmental science & technology","2012","46","20","11443","11450","10.1021/es302513j","","","1.54178","CuKα","","0.0336","0.0328","","","0.0864","0.0872","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516051","8.1308","0.0002","17.5736","0.0003","11.0262","0.0002","90","","94.94","0.001","90","","1569.65","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19.26 N O5.13 -","- C18 H19.26 N O5.13 -","- C72 H77.04 N4 O20.52 -","4","2","","Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui","Cytotoxic alkaloids from the whole plants of Zephyranthes candida.","Journal of natural products","2012","75","12","2113","2120","10.1021/np3005425","","","1.54178","CuKα","","0.0282","0.0282","","","0.0732","0.0732","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516052","7.6345","0.001","13.862","0.002","13.927","0.002","90","","90","","90","","1473.9","0.4","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isophotosantonin","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.0247","0.0245","","","0.0656","0.0659","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516053","7.3918","0.0002","29.704","0.001","32.1937","0.001","90","","90","","90","","7068.6","0.4","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15.8 H19.6 O4.4 -","- C15.8 H19.6 O4.4 -","- C316 H392 O88 -","20","5","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.0291","0.0287","","","0.0769","0.0772","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516054","9.0581","0.0004","9.5429","0.0004","15.5537","0.0007","90","","90","","90","","1344.47","0.1","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.027","0.0267","","","0.0719","0.0721","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516055","10.876","0.003","6.7384","0.0017","14.743","0.003","90","","92.481","0.012","90","","1079.5","0.5","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aS,4R,5R,10bS)-5-(benzo[d][1,3]dioxol-5-yl)-10-methoxy-1-oxo-1,3,3a,4,5,10b- hexahydrofuro[3',4':5,6]naphtho[2,3-d][1,3]dioxole-4-carboxylic acid compound with propan-2-one (2:1)","","- C23.5 H21 O9.5 -","- C23.5 H21 O9.5 -","- C47 H42 O19 -","2","1","","Thanh, Van Trinh Thi; Pham, Van Cuong; Mai, Huong Doan Thi; Litaudon, Marc; Guéritte, Françoise; Retailleau, Pascal; Nguyen, Van Hung; Chau, Van Minh","Cytotoxic lignans from fruits of Cleistanthus indochinensis: synthesis of cleistantoxin derivatives.","Journal of natural products","2012","75","9","1578","1583","10.1021/np3003832","","","1.54187","CuKα","","0.108","0.0651","","","0.1637","0.2109","","","","","","0.959","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516057","17.039","0.005","6.2992","0.0013","21.025","0.006","90","","97.831","0.006","90","","2235.6","1","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H15 Mo O5 P -","- C26 H15 Mo O5 P -","- C104 H60 Mo4 O20 P4 -","4","2","","Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois","A new route to a 2-phosphanaphthalene.","Organic letters","2012","14","18","4974","4975","10.1021/ol302278p","","","0.71073","MoKα","","0.1402","0.0704","","","0.1455","0.2063","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516058","18.4823","0.0008","9.4251","0.0003","15.2278","0.0005","90","","114.313","0.001","90","","2417.38","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cl O6 P W -","- C26 H16 Cl O6 P W -","- C104 H64 Cl4 O24 P4 W4 -","4","1","","Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois","A new route to a 2-phosphanaphthalene.","Organic letters","2012","14","18","4974","4975","10.1021/ol302278p","","","0.71073","MoKα","","0.0282","0.0233","","","0.0525","0.054","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516059","8.1251","0.0004","12.1902","0.0006","25.1571","0.0012","90","","90.472","0.001","90","","2491.6","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl O6 P W -","- C26 H16 Cl O6 P W -","- C104 H64 Cl4 O24 P4 W4 -","4","1","","Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois","A new route to a 2-phosphanaphthalene.","Organic letters","2012","14","18","4974","4975","10.1021/ol302278p","","","0.71073","MoKα","","0.0461","0.0388","","","0.082","0.0849","","","","","","1.202","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516060","40.076","0.007","5.5575","0.0011","13.021","0.002","90","","90","","90","","2900.1","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","2","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","0.71073","MoKα","","0.145","0.0533","","","0.079","0.1042","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516061","9.5653","0.0014","10.45","0.0013","30.655","0.005","90","","90","","90","","3064.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","1","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","1.54178","CuKα","","0.1054","0.0784","","","0.1744","0.1857","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516062","10.604","0.005","10.38","0.003","13.204","0.004","90","","95.551","0.014","90","","1446.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","0.71073","MoKα","","0.0385","0.0329","","","0.0829","0.0876","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516063","6.4277","0.0001","10.169","0.0002","15.7788","0.0002","90","","95.698","0.001","90","","1026.26","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","0.71073","MoKα","","0.0387","0.0358","","","0.1071","0.1102","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516064","10.9646","0.0003","34.3413","0.0011","6.972","0.0002","90","","90","","90","","2625.23","0.13","273","2","273","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","An efficient synthesis of bridged heterocycles from an Ir(I) bis-amination/ring-closing metathesis sequence.","Organic letters","2012","14","18","4802","4805","10.1021/ol302108m","","","1.54178","CuKα","","0.0356","0.0349","","","0.0978","0.0991","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516066","10.5786","0.0002","10.5791","0.0003","15.5501","0.0004","90","","104.447","0.0016","90","","1685.22","0.07","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A.","Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine.","Organic letters","2012","14","22","5621","5623","10.1021/ol3026846","","","0.71073","MoKα","","0.0462","0.0384","","0.0933","0.0896","0.0933","","","","","","0.9943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516067","11.8836","0.0001","10.3003","0.0002","15.9702","0.0002","90","","109.242","0.0009","90","","1845.62","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C80 H116 N12 O8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A.","Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine.","Organic letters","2012","14","22","5621","5623","10.1021/ol3026846","","","0.71073","MoKα","","0.0478","0.0408","","0.1124","0.107","0.1124","","","","","","0.9957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516068","13.7232","0.0004","14.9269","0.0005","7.6655","0.0001","90","","90","","90","","1570.24","0.07","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C76 H104 N8 O4 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A.","Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine.","Organic letters","2012","14","22","5621","5623","10.1021/ol3026846","","","0.71073","MoKα","","0.0447","0.037","","0.0848","0.0824","0.0848","","","","","","1.0269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516069","5.2688","0.0002","7.4978","0.0005","52.786","0.002","90","","90","","90","","2085.28","0.18","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H38 O4 -","- C21 H38 O4 -","- C84 H152 O16 -","4","1","","Persich, Peter; Kerschbaumer, Julia; Helling, Sandra; Hildmann, Barbara; Wibbeling, Birgit; Haufe, Günter","Transannular O-heterocyclization: a useful tool for the total synthesis of Murisolin and 16,19-cis-Murisolin.","Organic letters","2012","14","22","5628","5631","10.1021/ol302820c","","","1.54178","CuKα","","0.0425","0.0367","","","0.098","0.1047","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516074","12.3712","0.001","12.5383","0.0009","13.3489","0.0017","102.471","0.005","100.682","0.005","118.295","0.004","1677.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H41 N3 O4 -","- C40 H41 N3 O4 -","- C80 H82 N6 O8 -","2","1","","Castellano, Teresa G.; Neo, Ana G.; Marcaccini, Stefano; Marcos, Carlos F.","Enols as feasible acid components in the Ugi condensation.","Organic letters","2012","14","24","6218","6221","10.1021/ol302976g","","","0.71073","MoKα","","0.1934","0.0651","","","0.1358","0.1946","","","","","","0.898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516075","7.9485","0.0014","12.166","0.002","17.196","0.004","90","","90","","90","","1662.9","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0535","","","","0.1663","","","","","","1.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516076","7.1383","0.0014","10.9101","0.0019","23.798","0.005","90","","90","","90","","1853.4","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.044","","","","0.1214","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516077","8.268","0.003","8.268","0.003","48.704","0.015","90","","90","","120","","2883.3","1.7","173","","173","","","","","","","","","4","P 61","P 61","169","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C126 H156 N12 O30 -","6","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0343","","","","0.1391","","","","","","1.252","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516078","7.4222","0.0011","9.96","0.0014","25.642","0.004","90","","90","","90","","1895.6","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0491","","","","0.1437","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516079","7.9567","0.001","12.3012","0.0017","20.572","0.003","90","","90","","90","","2013.5","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.1641","","","","0.4045","","","","","","1.44","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516081","7.3413","0.0005","7.5696","0.0005","13.1377","0.0008","96.128","0.001","99.18","0.001","95.256","0.001","712.2","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 B F2 N4 -","- C14 H17 B F2 N4 -","- C28 H34 B2 F4 N8 -","2","1","","Lee, Ho Yong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan","Three-stage binary switching of azoaromatic polybase.","Organic letters","2012","14","24","6286","6289","10.1021/ol303039s","","","0.71073","MoKα","","0.0439","0.0416","","0.148","0.1329","0.148","","","","","","0.9917","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516082","10.6771","0.0004","13.0878","0.0005","18.3378","0.0006","83.667","0.002","73.144","0.002","75.898","0.002","2376.35","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","work","","","- C29 H20 N2 O7 -","- C29 H20 N2 O7 -","- C116 H80 N8 O28 -","4","2","","Kelgtermans, Hans; Dobrzańska, Liliana; Van Meervelt, Luc; Dehaen, Wim","A fragment-based approach toward substituted trioxa[7]helicenes.","Organic letters","2012","14","20","5200","5203","10.1021/ol3023209","","","1.54178","CuKα","","0.0717","0.053","","","0.128","0.1389","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516083","6.0458","0.001","9.8845","0.0011","24.023","0.003","90","","95.05","0.012","90","","1430","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 O8 -","- C32 H38 O8 -","- C64 H76 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0582","0.0426","","","0.094","0.1057","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516084","16.6322","0.0011","9.1956","0.0006","12.1051","0.0006","90","","98.357","0.005","90","","1831.73","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 O8 -","- C40 H54 O8 -","- C80 H108 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0708","0.0568","","","0.1572","0.1708","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516085","5.271","0.0005","14.1093","0.0014","15.2301","0.0017","90","","94.765","0.009","90","","1128.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C52 H48 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0917","0.0573","","","0.1274","0.1454","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516086","10.8267","0.001","9.5361","0.001","20.2199","0.0019","90","","97.858","0.009","90","","2068","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O8 -","- C24 H20 O8 -","- C96 H80 O32 -","4","1","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0587","0.043","","","0.0946","0.1047","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516087","10.3165","0.0005","4.9709","0.0002","14.1637","0.0006","90","","101.925","0.004","90","","710.67","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Br O3 -","- C6 H5 Br O3 -","- C24 H20 Br4 O12 -","4","1","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","1.54178","CuKα","","0.0457","0.0421","","","0.1081","0.1121","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516088","29.11","0.002","9.5418","0.001","22.962","0.002","90","","103.062","0.009","90","","6212.9","1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 O6 -","- C36 H42 O6 -","- C288 H336 O48 -","8","1","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0929","0.0505","","","0.1008","0.118","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516089","9.5983","0.001","5.4838","0.0005","24.21","0.003","90","","91.793","0.009","90","","1273.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 O8 -","- C32 H24 O8 -","- C64 H48 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0812","0.0516","","","0.1031","0.1191","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516090","7.7228","0.0005","11.0389","0.0006","13.6925","0.0009","90","","97.28","0.006","90","","1157.89","0.12","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0554","0.0395","","","0.0917","0.1032","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516091","5.7869","0.0005","9.9739","0.0007","16.9218","0.0014","87.166","0.006","81.47","0.007","78.248","0.007","945.45","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H52 O8 -","- C40 H52 O8 -","- C40 H52 O8 -","1","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0555","0.0464","","","0.1114","0.1177","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516092","9.6055","0.0004","7.7143","0.0003","18.8681","0.0008","90","","93.576","0.004","90","","1395.4","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 O6 -","- C12 H12 Br2 O6 -","- C48 H48 Br8 O24 -","4","1","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0631","0.0448","","","0.104","0.1162","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516093","5.9676","0.0007","9.4094","0.0012","17.2733","0.0018","89.735","0.009","85.714","0.009","85.834","0.01","964.7","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H54 O12 -","- C40 H54 O12 -","- C40 H54 O12 -","1","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","1.54178","CuKα","","0.0531","0.0427","","","0.1101","0.12","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516094","6.1693","0.0007","9.7194","0.0011","11.3573","0.0013","67.533","0.011","80.008","0.01","86.414","0.009","619.77","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O8 -","- C32 H26 O8 -","- C32 H26 O8 -","1","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0952","0.0555","","","0.104","0.1279","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516095","5.946","0.0007","10.5168","0.001","12.6676","0.0015","81.198","0.009","80.39","0.009","81.904","0.008","766.41","0.15","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H38 O12 -","- C32 H38 O12 -","- C32 H38 O12 -","1","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","1.54178","CuKα","","0.046","0.0392","","","0.1033","0.1103","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516097","10.4253","0.0003","12.8651","0.0004","8.1381","0.0003","90","","109.962","0.002","90","","1025.92","0.06","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Barradas, Silvia; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen","Total synthesis of natural p-quinol cochinchinenone.","Organic letters","2012","14","23","5952","5955","10.1021/ol302858r","","","1.54178","","","0.0257","0.0255","","","0.068","0.0682","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516099","6.4088","0.0019","17.279","0.005","8.579","0.003","90","","101.67","0.006","90","","930.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles.","Organic letters","2012","14","23","6068","6071","10.1021/ol302955u","","","0.7107","MoKα","","0.0486","0.0415","","","0.0934","0.0999","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516100","9.768","0.002","11.392","0.003","15.15","0.003","90","","97.216","0.006","90","","1672.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles.","Organic letters","2012","14","23","6068","6071","10.1021/ol302955u","","","0.7107","MoKα","","0.0608","0.0533","","","0.1216","0.1265","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516101","16.4332","0.0015","5.5136","0.0005","18.3321","0.0017","90","","106.549","0.0014","90","","1592.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diphenyl","diphenyl","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Truong, Phong; Shanahan, Charles S.; Doyle, Michael P.","Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones.","Organic letters","2012","14","14","3608","3611","10.1021/ol301317a","","","0.71073","MoKα","","0.0416","0.0368","","","0.0762","0.0778","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516103","18.945","0.0007","8.6958","0.0004","20.3655","0.0008","90","","90","","90","","3355.1","0.2","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C144 H192 N16 O8 -","8","1","","Zhao, Shu-Bin; Bilodeau, Eric; Lemieux, Valérie; Beauchemin, André M","Hydrogen bonding directed intermolecular Cope-type hydroamination of alkenes.","Organic letters","2012","14","19","5082","5085","10.1021/ol3023177","","","0.71073","MoKα","","0.103","0.0863","","","0.2444","0.2651","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516104","10.0293","0.0006","16.6704","0.0009","17.4029","0.001","70.567","0.001","76.603","0.001","78.855","0.001","2647.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cl N O4 S -","- C30 H28 Cl N O4 S -","- C120 H112 Cl4 N4 O16 S4 -","4","2","","Hu, Jian; Tian, Bing; Wu, Xinyan; Tong, Xiaofeng","Tertiary amine-triggered cascade S(N)2/cycloaddition: an efficient construction of complex azaheterocycles under mild conditions.","Organic letters","2012","14","19","5074","5077","10.1021/ol302329b","","","0.71073","MoKα","","0.0667","0.0489","","","0.1327","0.1476","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516105","11.618","0.003","12.024","0.003","16.15","0.004","90","","110.574","0.004","90","","2112.2","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","1","","Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun","Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation.","Organic letters","2012","14","17","4634","4637","10.1021/ol302077n","","","0.71073","MoKα","","0.1738","0.0787","","","0.1807","0.2301","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517802","3.5518","0.0005","3.5518","0.0005","5.9184","0.0009","90","","90","","90","","74.662","0.019","295","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- C O2 -","- C O2 -","- C4 O8 -","4","0.25","","Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Ninet, Sandra","Structure of Polymeric Carbon Dioxide CO~2~-V","Physical Review Letters","2012","108","12","125701","","10.1103/physrevlett.108.125701","powder diffraction","","","X-ray","","","","","","","","","3.6822","","","","","","","","has coordinates","209050","2020-10-21","18:00:00",""
"1519934","6.824","0.005","15.465","0.005","6.839","0.005","90","0.005","97.692","0.005","90","0.005","715.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","killalaite","- Ca3.22 H2 O8 Si2 -","- Ca3.1625 H1.16 O8 Si2 -","- Ca12.65 H4.64 O32 Si8 -","4","1","","Armbruster, T.; Lazic, B.; Galuskina, I. O.; Galuskin, E. V.; Gnos, E.; Marzec, K. M.; Gazeev, V. M.","Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite","Mineralogical Magazine","2012","76","3","455","472","10.1180/minmag.2012.076.3.02","","","0.71073","MoKα","","0.1082","0.0761","","","0.1848","0.2088","","","","","","1.005","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1519935","5.426","0.0009","7.135","0.0012","25.514","0.004","98.172","0.004","90.916","0.004","89.964","0.003","977.6","0.3","293","2","293","2","","","","","","","Khibiny alkaline massif, Kola Peninsula, Russia","12","P -1","-P 1","2","kazanskyite","kazanskyite","kazanskyite","- Ba1.4 Ca0.28 F1.2 H19 K0.3 Mn1.1 Na5 Nb1.3 O42.8 Si8 Sr0.6 Ti4.2 -","- Ba2.3934 Ca2.8 Na2 Nb3.812 O44.04 Si8 -","- Ba2.3934 Ca2.8 Na2 Nb3.812 O44.04 Si8 -","1","0.5","","Cámara, Fernando; Sokolova, Elena; Hawthorne, Frank C.","Kazanskyite, Ba□TiNbNa3Ti(Si2O7)2O2(OH)2(H2O)4, a Group-III Ti-disilicate mineral from the Khibiny alkaline massif, Kola Peninsula, Russia: description and crystal structure","Mineralogical Magazine","2012","76","3","473","492","10.1180/minmag.2012.076.3.03","","x-ray","0.71073","MoKα","","0.0947","0.0809","","","0.197","0.2051","","","","","","1.09","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1519936","7.4105","0.0004","20.0675","0.0011","21.4471","0.0011","90","","90","","90","","3189.4","0.3","298","2","298","","","","","","","","","10","F m m m","-F 2 2","69","tazzoliite","tazzoliite","tazzoliite","- Ba4.2 Ca3.31 H1.73 Na0.48 Nb5.76 O38.83 P0.52 Si2 Sr0 Ti4.24 -","- Ba4.22 Ca3.3 H1.72 Na0.48 Nb5.76 O38.82 P0.52 Si2 Ti4.24 -","- Ba16.88 Ca13.2 H6.88 Na1.92 Nb23.04 O155.28 P2.08 Si8 Ti16.96 -","4","0.125","","Cámara, Fernando; Nestola, Fabrizio; Bindi, Luca; Guastoni, Alessandro; Zorzi, Federico; Peruzzo, Luca; Pedron, Danilo","Tazzoliite: a new mineral with a pyrochlore-related structure from the Euganei Hills, Padova, Italy","Mineralogical Magazine","2012","76","4","827","838","10.1180/minmag.2012.076.4.01","","x-ray","0.71073","MoKα","","0.0633","0.0625","","","0.1575","0.1581","","","","","","1.246","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529243","9.43787","0.00006","9.43787","0.00006","9.43787","0.00006","90","","90","","90","","840.663","0.009","298","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- F4 H12 N3 Nb O4 -","- F4.00002 H12 N3 Nb O4.00008 -","- F16.0001 H48 N12 Nb4 O16.0003 -","4","0.0208333","","M.S. Molokeev; S.V. Misyul","Structural changes during phase transitions and the critical and noncritical order parameters in the (NH4)3Nb(O2)2F4 crystal","Physics of the Solid State","2012","54","1","143","","10.1134/S1063783412010234","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.94","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529244","6.6681","0.0003","13.274","0.0005","9.4797","0.0003","90","","89.146","0.003","90","","838.98","0.06","133","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F4 H12 N3 Nb O4 -","- F4 H12 N3 Nb O4 -","- F16 H48 N12 Nb4 O16 -","4","1","","M.S. Molokeev; S.V. Misyul","Structural changes during phase transitions and the critical and noncritical order parameters in the (NH4)3Nb(O2)2F4 crystal","Physics of the Solid State","2012","54","1","143","","10.1134/S1063783412010234","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.45","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529245","10.59141","0.00004","10.59141","0.00004","10.59141","0.00004","90","","90","","90","","1188.12","0.008","300","","300","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cs F3 Mn Mo O3 -","- Cs F3 Mn Mo O3 -","- Cs8 F24 Mn8 Mo8 O24 -","8","0.0416667","","V.V. Atuchin; M.S. Molokeev; G.Yu. Yurkin; T.A. Gavrilova; V.G. Kesler; N.M. Laptash; I.N. Flerov; G.S. Patrin","Synthesis, Structural, Magnetic, and Electronic Properties of Cubic CsMnMoO3F3 Oxyfluoride","The Journal of Physical Chemistry C","2012","116","18","10162","","10.1021/jp302020f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.44","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529246","8.5859","0.0002","8.5859","0.0002","8.5309","0.0003","90","","90","","120","","544.62","0.03","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al6 B6 K4.11 O21 Rb1.89 -","- Al2 B2 K1.37 O7 Rb0.63 -","- Al6 B6 K4.11 O21 Rb1.89 -","3","0.5","","Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G.","Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75","Journal of Alloys and Compounds","2012","515","","119","122","10.1016/j.jallcom.2011.11.115","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","","","","","","","","","has coordinates,has Fobs","189813","2020-10-21","18:00:00",""
"1529247","8.6574","0.0002","8.6574","0.0002","8.682","0.0003","90","","90","","120","","563.54","0.03","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al6 B6 K1.071 O21 Rb4.929 -","- Al2 B2 K0.35 O7 Rb1.65 -","- Al6 B6 K1.05 O21 Rb4.95 -","3","0.5","","Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G.","Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75","Journal of Alloys and Compounds","2012","515","","119","122","10.1016/j.jallcom.2011.11.115","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","","","","","","","","","has coordinates,has Fobs","189813","2020-10-21","18:00:00",""
"1529248","8.6131","0.0002","8.6131","0.0002","8.587","0.0003","90","","90","","120","","551.68","0.03","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al6 B6 K2.73 O21 Rb3.27 -","- Al2 B2 K0.91 O7 Rb1.09 -","- Al6 B6 K2.73 O21 Rb3.27 -","3","0.5","","Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G.","Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75","Journal of Alloys and Compounds","2012","515","","119","122","10.1016/j.jallcom.2011.11.115","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","","","","","","","","","has coordinates,has Fobs","189813","2020-10-21","18:00:00",""
"1529331","9.1531","0.0001","9.1531","0.0001","9.1531","0.0001","90","","90","","90","","766.84","0.015","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- F12 H32 N12 O12 W4 -","- F3 H8 N3 O3 W -","- F12 H32 N12 O12 W4 -","4","0.0208333","","M.S. Molokeev; S.V. Misyul","Processes of ordering of structural elements, critical and noncritical parameters of phase transitions in the (NH4)3WO3F3 crystal","Physics of the Solid State","2012","54","1","155","165","10.1134/S1063783412010222","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529332","6.4537","0.0005","9.1507","0.0004","19.2771","0.0007","90.092","0.003","90.509","0.003","90.231","0.005","1138.37","0.11","","","","","","","","","","","","5","P -1","-P 1","2","","","","- F18 H48 N18 O18 W6 -","- F3 H8 N3 O3 W -","- F18 H48 N18 O18 W6 -","6","3","","M.S. Molokeev; S.V. Misyul","Processes of ordering of structural elements, critical and noncritical parameters of phase transitions in the (NH4)3WO3F3 crystal","Physics of the Solid State","2012","54","1","155","165","10.1134/S1063783412010222","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529333","9.659","0.004","9.659","0.004","9.659","0.004","90","","90","","90","","901.1","0.6","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cs2 Dy F6 Rb -","- Cs2 Dy F6 Rb -","- Cs8 Dy4 F24 Rb4 -","4","0.0208333","","S.V. Misjul; M.S. Molokeev; L.V. Osokina; I.N. Saphonov","Structural Changes during Phase Transitions, Critical and Noncritical Order Parameters in the Elpasolite Cs2RbDyF6","Journal of Siberian Federal University. Mathematics & Physics","2012","5","4","566","575","","","","0.71073","MoKα","","0.0241","0.0241","","","0.1158","0.1158","","","","","","1.127","","","","has coordinates,has Fobs","152729","2020-10-21","18:00:00",""
"1529334","6.8072","0.0008","6.8012","0.0009","9.6379","0.0018","90","","90.356","0.007","90","","446.2","0.11","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs2 Dy F6 Rb -","- Cs2 Dy F6 Rb -","- Cs4 Dy2 F12 Rb2 -","2","0.5","","S.V. Misjul; M.S. Molokeev; L.V. Osokina; I.N. Saphonov","Structural Changes during Phase Transitions, Critical and Noncritical Order Parameters in the Elpasolite Cs2RbDyF6","Journal of Siberian Federal University. Mathematics & Physics","2012","5","4","566","575","","powder diffraction","x-ray","1.5406","","","0.09221","","","","","","","0.04844","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529485","13.59385","0.00007","17.30269","0.00013","10.03054","0.00007","90","","90","","90","","2359.29","0.03","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Mn7 O15 Pb3 -","- Mn7 O15 Pb3 -","- Mn56 O120 Pb24 -","8","1","","N.V. Volkov; L.A. Solovyov; E.V. Eremin; K.A. Sablina; S.V. Misjul; M.S. Molokeev; A.I. Zaitsev; M.V. Gorev; A.F. Bovina; N.V. Mihashenok","Temperature-dependent features of Pb3Mn7O15 crystal structure","Physica B: Condensed Matter","2012","407","4","689","693","10.1016/j.physb.2011.11.058","powder diffraction","x-ray","1.5406","","","0.02609","","","","","","","0.02829","1.32693","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529486","10.033674","0.000048","10.033674","0.000048","13.62879","0.0001","90","","90","","120","","1188.25","0.012","573","","573","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Mn7 O15 Pb3 -","- Mn7 O15 Pb3 -","- Mn28 O60 Pb12 -","4","0.166667","","N.V. Volkov; L.A. Solovyov; E.V. Eremin; K.A. Sablina; S.V. Misjul; M.S. Molokeev; A.I. Zaitsev; M.V. Gorev; A.F. Bovina; N.V. Mihashenok","Temperature-dependent features of Pb3Mn7O15 crystal structure","Physica B: Condensed Matter","2012","407","4","689","693","10.1016/j.physb.2011.11.058","powder diffraction","x-ray","1.5406","","","0.02936","","","","","","","0.02965","1.90068","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529488","8.9406","0.0008","8.9406","0.0008","8.9406","0.0008","90","","90","","90","","714.66","0.11","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- F3 K Mo O3 Rb2 -","- F3 K Mo O3 Rb2 -","- F12 K4 Mo4 O12 Rb8 -","4","0.0208333","","A.V. Kartashev; M.S. Molokeev; L.I. Isaenko; S.A. Zhurkov; V.D. Fokina; M.V. Gorev; I.N. Flerov","Heat capacity and structure of Rb2KMeO3F3 (Me: Mo, W) elpasolites","Solid State Sciences","2012","14","1","166","170","10.1016/j.solidstatesciences.2011.11.019","","","0.71073","MoKα","","0.0237","0.0183","","","0.0461","0.0489","","","","","","1.039","","","","has coordinates","153834","2020-10-21","18:00:00",""
"1529501","8.9402","0.0005","8.9402","0.0005","8.9402","0.0005","90","","90","","90","","714.56","0.07","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- F6 K2 O6 Rb4 W2 -","- F6 K2 O6 Rb4 W2 -","- F12 K4 O12 Rb8 W4 -","2","0.0104167","","A.V. Kartashev; M.S. Molokeev; L.I. Isaenko; S.A. Zhurkov; V.D. Fokina; M.V. Gorev; I.N. Flerov","Heat capacity and structure of Rb2KMeO3F3 (Me: Mo, W) elpasolites","Solid State Sciences","2012","14","1","166","170","10.1016/j.solidstatesciences.2011.11.019","","","0.71073","MoKα","","0.0239","0.0232","","","0.0645","0.0653","","","","","","1.368","","","","has coordinates,has Fobs","153858","2020-10-21","18:00:00",""
"1542303","12.2472","0.0002","4.83618","0.00006","10.8604","0.0002","90","","115.803","0.0008","90","","579.124","0.016","","","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- N O P -","- N O P -","- N16 O16 P16 -","16","4","","Baumann, Dominik; Sedlmaier, Stefan J.; Schnick, Wolfgang","An Unprecedented AB2 Tetrahedra Network Structure Type in a High-Pressure Phase of Phosphorus Oxonitride (PON)","Angewandte Chemie International Edition","2012","51","","4707","4709","10.1002/anie.201200811","powder diffraction","","1.54056","Cu-Kα1","","","","","","","","","0.01213","1.447","","","","","","","has coordinates","198598","2020-10-21","18:00:00",""
"1543079","6.7004","0.0001","6.7004","0.0001","6.7004","0.0001","90","","90","","90","","300.817","0.008","","","693","","","","101.325","","","","","3","F -4 3 m","F -4 2 3","216","Magnesium Silver Antimonide","","","- Ag4 Mg4 Sb4 -","- Ag Mg Sb -","- Ag4 Mg4 Sb4 -","4","0.0416667","","Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.","Abinitio determination of crystal structures of the thermoelectric material MgAgSb","Physical Review B","2012","85","14","144120","","10.1103/PhysRevB.85.144120","","x-ray","1.5406","CuKα","","0.061562","","","","","","","","","","","","","","","has coordinates","182015","2020-10-21","18:00:00",""
"1543080","4.41991","0.00008","4.41991","0.00008","6.8896","0.0002","90","","90","","90","","134.593","0.005","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ag2 Mg2 Sb2 -","- Ag Mg Sb -","- Ag2 Mg2 Sb2 -","2","0.125","","Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.","Abinitio determination of crystal structures of the thermoelectric material MgAgSb","Physical Review B","2012","85","14","144120","","10.1103/PhysRevB.85.144120","","","","","","0.0387841","","","","","","","","","","","","","","","has coordinates","182016","2020-10-21","18:00:00",""
"1543081","9.1761","0.0004","9.1761","0.0004","12.696","0.0007","90","","90","","90","","1069.01","0.09","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Ag16 Mg16 Sb16 -","- Ag Mg Sb -","- Ag16 Mg16 Sb16 -","16","1","","Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.","Abinitio determination of crystal structures of the thermoelectric material MgAgSb","Physical Review B","2012","85","","144120","","","","","","","","0.020997","","","","","","","","","","","","","","","has coordinates","182017","2020-10-21","18:00:00",""
"1544363","4.3042","0.0007","7.1505","0.0012","6.2987","0.0011","90","","103.805","0.002","90","","188.26","0.05","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","SiP2O7 HP phase","","","- O7 P2 Si -","- O7 P2 Si -","- O14 P4 Si2 -","2","0.5","","Leinenweber, K.; Stearns, L.A.; Nite, J.M.; Nemeth, P.; Groy, T.L.","Structure of a new form of silicon phosphate (SiP2O7) synthesized at high pressures and temperatures","Journal of Solid State Chemistry","2012","225","","190","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","187600","2020-10-21","18:00:00",""
"1544570","9.72","0.002","9.72","0.002","7.1859","0.0009","90","","90","","120","","587.96","0.19","","","","","","","","","","","","3","P 63","P 6c","173","La9.33Si6O26","","","- La9.33 O26 Si6 -","- La9.334 O26 Si6 -","- La9.334 O26 Si6 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188470","2020-10-21","18:00:00",""
"1544571","9.715","0.002","9.715","0.002","7.233","0.001","90","","90","","120","","591.2","0.19","","","","","","","","","","","","4","P 63","P 6c","173","La10Si4Al2O26","","","- Al2 La10 O26 Si4 -","- Al1.9998 La10 O26 Si4.0002 -","- Al1.9998 La10 O26 Si4.0002 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188471","2020-10-21","18:00:00",""
"1544572","9.716","0.002","9.716","0.002","7.213","0.001","90","","90","","120","","589.69","0.19","","","","","","","","","","","","4","P 63","P 6c","173","La9.67Si5AlO26","","","- Al La9.67 O26 Si5 -","- Al1.0002 La9.668 O26 Si4.9998 -","- Al1.0002 La9.668 O26 Si4.9998 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188472","2020-10-21","18:00:00",""
"1544573","9.723","0.002","9.723","0.002","7.205","0.001","90","","90","","120","","589.88","0.19","","","","","","","","","","","","4","P 63","P 6c","173","La9.5Si5.5Al0.5O26","","","- Al0.5 La9.5 O26 Si5.5 -","- Al0.4998 La9.502 O26 Si5.5002 -","- Al0.4998 La9.502 O26 Si5.5002 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188473","2020-10-21","18:00:00",""
"1544574","9.717","0.002","9.717","0.002","7.227","0.001","90","","90","","120","","590.95","0.19","","","","","","","","","","","","4","P 63","P 6c","173","La9.8Si4.5Al1.5O26","","","- Al1.5 La9.8 O26 Si4.5 -","- Al1.5 La9.832 O26 Si4.5 -","- Al1.5 La9.832 O26 Si4.5 -","1","0.166667","","Ueda, K.","Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes","Journal of the Ceramic Society of Japan","2012","120","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","188474","2020-10-21","18:00:00",""
"1544624","4.7686","0.0001","10.2542","0.0002","6.0036","0.0002","90","","90","","90","","293.565","0.013","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","Mg1.62Fe0.38SiO4 olivine","","olivine","- Fe0.38 Mg1.62 O4 Si -","- Fe0.385 Mg1.615 O4 Si -","- Fe1.54 Mg6.46 O16 Si4 -","4","0.5","","Ejima, T.; Akasaka, M.; Nagao, T.; Ohfuji, H.","Oxidation state of Fe in olivine in andesitic scoria from Kasayama volcano, Hagi, Yamaguchi Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2012","107","","215","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","188568","2020-10-21","18:00:00",""
"1546383","5.03","","5.03","","13.75","","90","","90","","120","","301.279","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","","El Mendili, Yassine; Bardeau, Jean-François; Randrianantoandro, Nirina; Grasset, Fabien; Greneche, Jean-Marc","Insights into the Mechanism Related to the Phase Transition from α-Fe2O3 to γ-Fe2O3 Nanoparticles Induced by Thermal Treatment and Laser Irradiation","The Journal of Physical Chemistry C","2012","116","44","23785","23792","10.1021/jp308418x","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1547192","7.60872","0.00014","10.09635","0.00018","11.4337","0.0002","72.858","0.005","88.015","0.007","82.627","0.006","832.38","0.04","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 Na2 O11 -","- C14 H4 N2 Na2 O11 -","- C28 H8 N4 Na4 O22 -","2","1","","Kazuto Ikemoto; Hitoshi Sakamoto; Masahiko Nakano","Crystal structure and characterization of pyrroloquinoline quinone disodium trihydrate","Chemistry Central Journal","2012","6","","57","","10.1186/1752-153X-6-57","","","1.54187","CuKα","","","0.0475","","","","0.1429","","","","","","1.085","","","","has coordinates","200932","2020-10-21","18:00:00",""
"1547201","7.3859","0.0003","20.6898","0.0009","12.4157","0.0006","90","","90.165","0.001","90","","1897.27","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0695","0.0523","","","0.1308","0.1429","","","","","","1.014","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547202","7.715","0.004","13.604","0.007","36.769","0.016","90","","90","","90","","3859","3","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C168 H256 O24 -","8","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.121","0.061","","","0.1293","0.1691","","","","","","1.033","","","","has coordinates","200967","2020-10-21","18:00:00",""
"1547203","7.7609","0.0005","13.2141","0.0008","18.6769","0.0011","90","","92.246","0.001","90","","1913.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H31 O4 -","- C21 H31 O3.75 -","- C84 H124 O15 -","4","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0699","0.0523","","","0.1342","0.1544","","","","","","1.053","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547204","11.5169","0.0019","6.7843","0.0012","12.82","0.002","90","","109.27","0.004","90","","945.6","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H35 O4 -","- C20 H35 O4 -","- C40 H70 O8 -","2","1","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0791","0.0452","","","0.0808","0.0914","","","","","","0.873","","","","has coordinates","200969","2020-10-21","18:00:00",""
"1547253","11.0707","0.0003","11.3028","0.0003","14.8929","0.0003","84.963","0.001","75.975","0.001","87.924","0.001","1800.8","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 Br2 N4 -","- C36 H32 Br2 N4 -","- C72 H64 Br4 N8 -","2","1","","Rosenani A Haque; Muhammad Adnan Iqbal; Mohamed B Khadeer Ahamed; AMS Abdul Majid; Zena A Abdul Hameed","Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against human colon cancer","Chemistry Central Journal","2012","6","","68","","10.1186/1752-153X-6-68","","","0.71073","MoKα","","0.0638","0.0472","","","0.1305","0.1376","","","","","","1.076","","","","has coordinates","201072","2020-10-21","18:00:00",""
"1547254","16.452","0.0009","12.0683","0.0007","16.298","0.0009","90","","103.064","0.001","90","","3152.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C112 H128 F48 N16 P8 -","4","1","","Rosenani A Haque; Muhammad Adnan Iqbal; Mohamed B Khadeer Ahamed; AMS Abdul Majid; Zena A Abdul Hameed","Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against human colon cancer","Chemistry Central Journal","2012","6","","68","","10.1186/1752-153X-6-68","","","0.71073","MoKα","","0.0546","0.0424","","","0.1187","0.1293","","","","","","1.029","","","","has coordinates,has disorder","201073","2020-10-21","18:00:00",""
"1547261","9.4583","0.0019","10.494","0.002","11.545","0.002","70.49","0.03","73.27","0.03","64","0.03","957.2","0.4","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C40 H46 Cl2 N4 O4 -","2","1","","Rui Wu; Cong Zhu; Xiu-Jiang Du; Li-Xia Xiong; Shu-Jing Yu; Xing-Hai Liu; Zheng-Ming Li; Wei-Guang Zhao","Synthesis, crystal structure and larvicidal activity of novel diamide derivatives against Culex pipiens","Chemistry Central Journal","2012","6","","99","","10.1186/1752-153X-6-99","","x-ray","0.71073","MoKα","","0.1115","0.0476","","","0.0971","0.1174","","","","","","1.043","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1548096","14.6411","0.001","13.1461","0.0011","7.5199","0.0005","90","","111.19","0.008","90","","1349.52","0.19","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H23.94 K1.03 Na1.44 O59.97 Si16.07 -","- Al7.92 Ca2.72 H11.968 K1.04 Na1.44 O48 Si16.08 -","- Al7.92 Ca2.72 H11.968 K1.04 Na1.44 O48 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: I. Humidity-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","151","","93","","10.1016/j.micromeso.2011.11.009","","","0.71073","MoKα","","0.0395","0.031","","","0.0872","0.0899","","","","","","1.068","","","","has coordinates","203303","2020-10-21","18:00:00",""
"1548097","14.7157","0.0003","13.1951","0.0002","7.53452","0.00017","90","","110.735","0.003","90","","1368.25","0.05","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H26.26 K1.03 Na1.44 O61.13 Si16.07 -","- Al7.92 Ca2.72 H13.124 K1.04 Na1.44 O48 Si16.08 -","- Al7.92 Ca2.72 H13.124 K1.04 Na1.44 O48 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: I. Humidity-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","151","","93","","10.1016/j.micromeso.2011.11.009","","","0.71073","MoKα","","0.0415","0.0299","","","0.0814","0.0851","","","","","","1.06","","","","has coordinates","203304","2020-10-21","18:00:00",""
"1548098","14.682","0.0011","13.2002","0.0008","7.5292","0.0005","90","","111.072","0.008","90","","1361.62","0.18","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H24.5 K1.03 Na1.44 O60.25 Si16.07 -","- Al7.92 Ca2.72 H12.252 K1.04 Na1.44 O48 Si16.08 -","- Al7.92 Ca2.72 H12.252 K1.04 Na1.44 O48 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: I. Humidity-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","151","","93","","10.1016/j.micromeso.2011.11.009","","","0.71073","MoKα","","0.0609","0.0366","","","0.0851","0.0904","","","","","","0.961","","","","has coordinates","203305","2020-10-21","18:00:00",""
"1548099","14.7039","0.0014","13.2046","0.0009","7.543","0.0006","90","","110.896","0.01","90","","1368.2","0.2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H26.78 K1.03 Na1.44 O61.39 Si16.07 -","- Al7.92 Ca2.72 H13.396 K1.04 Na1.44 O48 Si16.08 -","- Al7.92 Ca2.72 H13.396 K1.04 Na1.44 O48 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: I. Humidity-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","151","","93","","10.1016/j.micromeso.2011.11.009","","","0.71073","MoKα","","0.0835","0.0503","","","0.0914","0.1001","","","","","","1.124","","","","has coordinates","203306","2020-10-21","18:00:00",""
"1548100","14.759","0.002","13.1784","0.0016","7.5407","0.0006","90","","110.447","0.013","90","","1374.3","0.3","293","2","293","2","","","20","50","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H29 K1.03 Na1.44 O62.5 Si16.07 -","- Al7.92 Ca2.72 K1.04 Na1.44 O62.508 Si16.08 -","- Al7.92 Ca2.72 K1.04 Na1.44 O62.508 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","159","","126","","10.1016/j.micromeso.2012.04.029","","","0.71073","MoKα","","0.0657","0.0382","","","0.0905","0.0956","","","","","","0.946","","","","has coordinates","203295","2020-10-21","18:00:00",""
"1548101","14.779","0.002","13.1713","0.0017","7.5423","0.0006","90","","110.392","0.013","90","","1376.2","0.3","293","2","293","2","","","60","50","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H29.36 K1.03 Na1.44 O62.68 Si16.07 -","- Al7.92 Ca2.72 K1.04 Na1.44 O62.684 Si16.08 -","- Al7.92 Ca2.72 K1.04 Na1.44 O62.684 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","159","","126","","10.1016/j.micromeso.2012.04.029","","","0.71073","MoKα","","0.0662","0.0365","","","0.0861","0.0923","","","","","","0.935","","","","has coordinates","203296","2020-10-21","18:00:00",""
"1548102","14.786","0.003","13.1593","0.0018","7.5294","0.0006","90","","110.337","0.013","90","","1373.7","0.4","293","2","293","2","","","170","50","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H29.74 K1.03 Na1.44 O62.87 Si16.07 -","- Al7.92 Ca2.72 K1.04 Na1.44 O62.864 Si16.08 -","- Al7.92 Ca2.72 K1.04 Na1.44 O62.864 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","159","","126","","10.1016/j.micromeso.2012.04.029","","","0.71073","MoKα","","0.0602","0.0374","","","0.0961","0.1008","","","","","","0.989","","","","has coordinates","203297","2020-10-21","18:00:00",""
"1548103","14.8","0.003","13.1434","0.0019","7.525","0.0006","90","","110.33","0.015","90","","1372.6","0.4","293","2","293","2","","","330","50","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H29.84 K1.03 Na1.44 O62.92 Si16.07 -","- Al7.92 Ca2.72 K1.04 Na1.44 O62.92 Si16.08 -","- Al7.92 Ca2.72 K1.04 Na1.44 O62.92 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","159","","126","","10.1016/j.micromeso.2012.04.029","","","0.71073","MoKα","","0.0748","0.0408","","","0.0897","0.0975","","","","","","0.965","","","","has coordinates","203298","2020-10-21","18:00:00",""
"1548104","14.813","0.003","13.1377","0.0019","7.5143","0.0006","90","","110.205","0.013","90","","1372.4","0.4","293","2","293","2","","","570","50","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H31.08 K1.03 Na1.44 O63.54 Si16.07 -","- Al7.92 Ca2.72 K1.04 Na1.44 O63.532 Si16.08 -","- Al7.92 Ca2.72 K1.04 Na1.44 O63.532 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","159","","126","","10.1016/j.micromeso.2012.04.029","","","0.71073","MoKα","","0.0787","0.0457","","","0.1162","0.1255","","","","","","1.089","","","","has coordinates","203299","2020-10-21","18:00:00",""
"1548105","14.743","0.004","13.098","0.003","7.4781","0.0009","90","","110.6","0.02","90","","1351.7","0.5","293","2","293","2","","","1130","50","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H31.14 K1.03 Na1.44 O63.57 Si16.07 -","- Al7.92 Ca2.72 K1.04 Na1.44 O63.568 Si16.08 -","- Al7.92 Ca2.72 K1.04 Na1.44 O63.568 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","159","","126","","10.1016/j.micromeso.2012.04.029","","","0.71073","MoKα","","0.0769","0.0421","","","0.092","0.0988","","","","","","0.968","","","","has coordinates","203300","2020-10-21","18:00:00",""
"1548106","14.769","0.004","13.115","0.003","7.4834","0.0011","90","","110.45","0.02","90","","1358.1","0.6","293","2","293","2","","","910","50","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H30.22 K1.03 Na1.44 O63.11 Si16.07 -","- Al7.92 Ca2.72 K1.04 Na1.44 O63.112 Si16.08 -","- Al7.92 Ca2.72 K1.04 Na1.44 O63.112 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","159","","126","","10.1016/j.micromeso.2012.04.029","","","0.71073","MoKα","","0.0997","0.0471","","","0.1042","0.1145","","","","","","0.931","","","","has coordinates","203301","2020-10-21","18:00:00",""
"1548107","14.827","0.003","13.135","0.002","7.5039","0.0007","90","","110.358","0.015","90","","1370.1","0.4","293","2","293","2","","","750","50","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al7.93 Ca2.73 H31.48 K1.03 Na1.44 O63.74 Si16.07 -","- Al7.92 Ca2.72 K1.04 Na1.44 O63.744 Si16.08 -","- Al7.92 Ca2.72 K1.04 Na1.44 O63.744 Si16.08 -","1","0.125","","Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.","An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite","Microporous and Mesoporous Materials","2012","159","","126","","10.1016/j.micromeso.2012.04.029","","","0.71073","MoKα","","0.0599","0.0358","","","0.0819","0.087","","","","","","1.015","","","","has coordinates","203302","2020-10-21","18:00:00",""
"1548352","7.512","0.002","9.462","0.003","17.198","0.005","95.387","0.005","102.271","0.005","110.101","0.005","1103","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl N6 O7 S -","- C20 H18 Cl N6 O7 S -","- C40 H36 Cl2 N12 O14 S2 -","2","1","","N. Rajesh Goud; Swarupa Gangavaram; Kuthuru Suresh; Sharmistha Pal; Sulur G. Manjunatha; Sudhir Nambiar; Ashwini Nangia","Novel furosemide cocrystals and selection of high solubility drug forms","Journal of Pharmaceutical Sciences","2012","101","","664","680","10.1002/jps.22805","","","0.71073","MoKα","","0.0853","0.0735","","","0.1782","0.1874","","","","","","1.065","","","","has coordinates,has disorder","203864","2020-10-21","18:00:00",""
"1548353","7.909","0.004","9.467","0.005","12.484","0.007","100.151","0.008","95.95","0.008","97.644","0.009","904.2","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl N5 O6 S -","- C16 H16 Cl N5 O6 S -","- C32 H32 Cl2 N10 O12 S2 -","2","1","","N. Rajesh Goud; Swarupa Gangavaram; Kuthuru Suresh; Sharmistha Pal; Sulur G. Manjunatha; Sudhir Nambiar; Ashwini Nangia","Novel furosemide cocrystals and selection of high solubility drug forms","Journal of Pharmaceutical Sciences","2012","101","","664","680","10.1002/jps.22805","","","0.71073","MoKα","","0.0426","0.039","","","0.1039","0.107","","","","","","1.06","","","","has coordinates","203865","2020-10-21","18:00:00",""
"1548559","8.6489","0.0013","10.414","0.0015","27.136","0.004","90","","90","","90","","2444.1","0.6","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C108 H100 Cl4 N8 O20 -","4","1","","Muneer Ahamed; Bun Chan; Paul Jensen; Matthew H. Todd","The Outcome of the Oxidations of Unusual Enediamide Motifs Is Governed by the Stabilities of the Intermediate Iminium Ions","Plos One","2012","7","","47224","","10.1371/journal.pone.0047224","","","0.71073","MoKα","","0.0685","0.0334","","","0.0366","0.0397","","","","","","0.934","","","","has coordinates","288183","2023-12-08","14:42:07",""
"1548560","10.449","0.002","15.744","0.002","10.855","0.002","90","","100.646","0.005","90","","1755","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Muneer Ahamed; Bun Chan; Paul Jensen; Matthew H. Todd","The Outcome of the Oxidations of Unusual Enediamide Motifs Is Governed by the Stabilities of the Intermediate Iminium Ions","Plos One","2012","7","","47224","","10.1371/journal.pone.0047224","","","0.71073","MoKα","","0.0591","0.0504","","","0.1324","0.1398","","","","","","1.043","","","","has coordinates","204651","2020-10-21","18:00:00",""
"1548642","30.0315","0.0004","30.0315","0.0004","8.8752","0.0002","90","","90","","90","","8004.5","0.2","123.15","","123.15","","","","","","","","","5","I -4","I -4","82","","","","- C124 H230 N20 Ni4 O61 -","- C124 H156 N20 Ni4 O61 -","- C248 H312 N40 Ni8 O122 -","2","0.25","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.5418","CuKα","","0.0659","0.0655","","","0.1733","0.1744","","","","","","1.056","","","","has coordinates,has disorder","205022","2020-10-21","18:00:00",""
"1548643","18.6018","0.0005","20.4447","0.0004","23.3295","0.0005","102.63","0.002","108.244","0.002","109.763","0.002","7388.9","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H244 F6 N23 Ni5 O63 P -","- C107 H154 F6 N23 Ni5 O34 P -","- C214 H308 F12 N46 Ni10 O68 P2 -","2","1","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.54178","CuKα","","0.1277","0.1113","","","0.2298","0.2383","","","","","","1.098","","","","has coordinates,has disorder","205023","2020-10-21","18:00:00",""
"1548644","32.8793","0.0002","32.8793","0.0002","32.8793","0.0002","90","","90","","90","","35544.1","0.4","150","2","150","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C138 H255 Cl N28 Ni6 O59 -","- C138 H182.4 Cl N28 Ni6 O26.96 -","- C1104 H1459.2 Cl8 N224 Ni48 O215.68 -","8","0.0416667","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.54178","CuKα","","0.3382","0.2969","","","0.509","0.5163","","","","","","0.985","","","","has coordinates","205024","2020-10-21","18:00:00",""
"1548688","15.307","0.003","7.9472","0.0016","24.715","0.005","90","","97.18","0.03","90","","2982.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N O10 -","- C30 H25 N O12 -","- C120 H100 N4 O48 -","4","1","","Ling-Li Liu; Ying Xu; Zhuang Han; Yong-Xin Li; Liang Lu; Pok-Yui Lai; Jia-Liang Zhong; Xian-Rong Guo; Xi-Xiang Zhang; Pei-Yuan Qian","Four New Antibacterial Xanthones from the Marine-Derived Actinomycetes Streptomyces caelestis","Marine Drugs","2012","10","","2571","2583","10.3390/md10112571","","","1.54178","CuKα","","0.2947","0.2224","","","0.4653","0.5021","","","","","","1.848","","","","has coordinates,has disorder","205219","2020-10-21","18:00:00",""
"1548689","7.8343","0.0017","8.548","0.0019","37.351","0.008","90","","90","","90","","2501.3","0.9","","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br O2 -","- C13 H15 Br O2 -","- C104 H120 Br8 O16 -","8","2","","Jiajing Tan; Cheol-Hong Cheon; Hisashi Yamamoto","Construction of Vicinal Tertiary and All Carbon Quaternary Centers by Catalytic Asymmetric Claisen Rearrangement of Enolphosphonates","Angewandte Chemie Int Ed Engl","2012","51","","8264","8267","10.1002/anie.201203092","","x-ray","0.71073","MoKα","","0.0828","0.0651","","","0.0923","0.1225","","","","","","0.794","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548690","5.5228","0.0002","17.4103","0.0007","22.1641","0.001","90","","90","","90","","2131.16","0.15","","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O7 -","- C22 H30 O7 -","- C88 H120 O28 -","4","1","","Yulin Ren; Ulyana Munoz Acuna; Francisco Jimenez; Ricardo Garcia; Melciades Mejia; Heebyung Chai; Judith C. Gallucci; Norman R. Farnsworth; Djaja D. Soejarto; Esperanza J. Carcache de Blanco; A. Douglas Kinghorn","Cytotoxic and NF-kB inhibitory sesquiterpene lactones from Piptocoma rufescens","Tetrahedron","2012","68","","2671","2678","10.1016/j.tet.2012.01.061","","x-ray","0.8856","synchrotron","","0.0602","399","","","0.0803","0.088","","","","","","1.036","","","","has coordinates","205223","2020-10-21","18:00:00",""
"1548708","17.455","0.005","47.542","0.013","27.414","0.008","90","","90","","90","","22749","11","163","2","163","2","","","","","","","","5","C 2 2 21","C 2c 2","20","tap003","","","- C54 H64 Ho N14 O16 -","- C54 H64 Ho N14 O16 -","- C432 H512 Ho8 N112 O128 -","8","1","","Ga-Lai Law; Tiffany A. Pham; Jide Xu; Kenneth N. Raymond","A Single Sensisitizer for the Excitation of Visible and NIR Lanthanide Emitters (Sm, Eu, Tb, Dy and Ho) in Water with High Quantum Yields","Angewandte Chemie Int. Ed. Engl","2012","51","","2371","2374","10.1002/anie.201106748","","","0.71073","MoKα","","0.0422","0.0367","","","0.0913","0.093","","","","","","1.078","","","","has coordinates,has disorder","205328","2020-10-21","18:00:00",""
"1549447","26.673","0.005","5.3966","0.0011","16.522","0.003","90","","95.49","0.03","90","","2367.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DTLM","","","- C9 H11 N5 O S2 -","- C9 H11 N5 O S2 -","- C72 H88 N40 O8 S16 -","8","1","","Illán-Cabeza, Nuria A; Peña-Ruiz, Tomás; Moreno-Carretero, Miguel N","XRD and DFT-modelized structures of a pteridine-2,4(1H,3H)-dithione/N,N'-dimethylformamide H-bonded cluster (2:2). MO study of the coordination ability.","Journal of molecular modeling","2012","18","2","815","824","10.1007/s00894-011-1109-1","","","0.71073","MoKα","","0.0657","0.0461","","","0.1244","0.1465","","","","","","1.042","","","","has coordinates","207929","2020-10-21","18:00:00",""
"1551105","9.777","0.001","5.674","0.001","14.667","0.001","90","","102.97","0.01","90","","792.89","0.17","14","","14","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D0.25 K1.25 O4 S -","- D K1.5 O4 S -","- D8 K12 O32 S8 -","8","1","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0726","0.0517","","0.0359","0.0342","0.0333","","","","","","1.0907","","","","has coordinates","215441","2020-10-21","18:00:00",""
"1551106","9.7776","0.001","5.681","0.001","14.7008","0.001","90","","103.051","0.01","90","","795.49","0.17","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D K3 O8 S2 -","- D K3 O8 S2 -","- D4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0192","0.0176","","0.0206","0.02","0.02","","","","","","1.0636","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551107","9.6996","0.001","5.6344","0.001","14.5241","0.001","90","","102.728","0.01","90","","774.26","0.17","12","","12","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0513","0.0486","","0.0521","0.0509","0.0509","","","","","","0.8854","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551108","9.7038","0.001","5.6385","0.001","14.5256","0.001","90","","102.953","0.01","90","","774.54","0.17","5","","5","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.037","0.0273","","0.0237","0.0234","0.0234","","","","","","1.101","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551109","9.8061","0.001","5.6869","0.001","14.7024","0.001","90","","102.926","0.01","90","","799.12","0.17","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0536","0.0244","","0.0159","0.0138","0.0138","","","","","","1.0765","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551364","9.757","0.002","19.778","0.004","20.491","0.004","113.73","0.03","95.26","0.03","90.27","0.03","3600.9","1.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 Co N6 O8 -","- C36 H30 Cl2 Co N6 O8 -","- C144 H120 Cl8 Co4 N24 O32 -","4","2","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.71073","MoKα","","0.2604","0.1614","","","0.4041","0.4562","","","","","","1.363","","","","has coordinates","215882","2020-10-21","18:00:00",""
"1551365","21.469","0.004","31.178","0.006","34.437","0.007","90","","96.87","0.03","90","","22885","8","180","2","180","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C390 H330 Cl20 Co10 N60 O76 -","- C390 H330 Cl16 Co10 N60 O60 -","- C780 H660 Cl32 Co20 N120 O120 -","2","0.5","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.71073","MoKα","","0.1992","0.157","","","0.3787","0.413","","","","","","1.424","","","","has coordinates","215883","2020-10-21","18:00:00",""
"1551366","70.5877","0.0007","79.1494","0.001","80.8163","0.001","90","","90","","90","","451519","9","120","2","120","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C422 H343.5 Cl Co10 F114 N76 O46 P7.5 S23 -","- C403.5 H343.5 Cl Co10 F58.5 N67 O9 P7.5 S7.51 -","- C12912 H10992 Cl32 Co320 F1872 N2144 O288 P240 S240.32 -","32","1","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54184","CuKα","","0.3405","0.2186","","","0.5124","0.5616","","","","","","1.736","","","","has coordinates,has disorder","215884","2020-10-21","18:00:00",""
"1551367","70.759","0.003","79.508","0.002","81.13","0.002","90","","90","","90","","456430","3","100","2","100","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C423 H345 Cl Co10 F111 N76 O47 P7 S23 -","- C407.5 H345 Cl Co10 F64.5 N68.5 O16 P7 S11.26 -","- C13040 H11040 Cl32 Co320 F2064 N2192 O512 P224 S360.32 -","32","1","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.6889","","","0.2646","0.2374","","","0.5673","0.5905","","","","","","1.657","","","","has coordinates,has disorder","215885","2020-10-21","18:00:00",""
"1551368","24.7578","0.0002","24.7578","0.0002","41.4172","0.001","90","","90","","120","","21985.5","0.6","120","2","120","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C188 H168 Co4 F24 N34 O24 S8 -","- C171.5 H143.997 Co4 F22.5 N28 O22.5 S7.5 -","- C686 H575.988 Co16 F90 N112 O90 S30 -","4","0.333333","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54178","CuKα","","0.1226","0.1027","","","0.2835","0.3019","","","","","","1.113","","","","has coordinates","287876","2023-11-30","07:26:55",""
"1551420","14.82958","0.000064","14.82958","0.000064","11.773164","0.000051","90","","90","","90","","2589.11","0.019","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C16 H20 Al2 O16 -","- C16 Al2 O22.5 -","- C64 Al8 O90 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826949","","","","","","","","","","","","","","","","","","has coordinates","215958","2020-10-21","18:00:00",""
"1551421","14.824318","0.000064","14.824318","0.000064","11.805704","0.000051","90","","90","","90","","2594.43","0.019","273","2","273","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C19.2 H8 Al2 O16.4 -","- C19.1862 H8 Al2 O16.3722 -","- C76.7448 H32 Al8 O65.4888 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826126","","","","","","","","","","","","","","","","","","has coordinates","215959","2020-10-21","18:00:00",""
"1551422","14.84741","0.0001","14.84741","0.0001","11.805642","0.000082","90","","90","","90","","2602.5","0.03","273","2","273","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C16 H8 Al2 O18 S4 -","- C16 H8 Al2 O18 S4 -","- C64 H32 Al8 O72 S16 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826126","","","","","","","","","","","","","","","","","","has coordinates","215960","2020-10-21","18:00:00",""
"1551698","8.5286","0.0006","11.4221","0.0006","11.4561","0.0006","112.632","0.002","97.216","0.002","106.241","0.002","954.08","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis( -4-methylpiperidine-1-carbodithioato-1:2 3S,S':S'; 2:1 3S,S':S')bis[(4-methylpiperidine-1-carbodithioato- 2S,S')cadmium(II)]","","- C28 H48 Cd2 N4 S8 -","- C28 H48 Cd2 N4 S8 -","- C28 H48 Cd2 N4 S8 -","1","0.5","","THIRUMARAN, S.; SRINIVASAN, N.; SHARMA, Vandana; GUPTA, Vivek K.","Crystal Structure of Bis(μ-4-methylpiperidine-1-carbodithioato-1:2κ3S,S′:S′;2:1κ3S,S′:S′)bis[(4-methylpiperidine-1-carbodithioato-k2S,S′)cadmium(II)]","X-ray Structure Analysis Online","2012","28","","21","","10.2116/xraystruct.28.21","","","0.71073","MoKα","","0.044","0.0297","","","0.0794","0.0879","","","","","","1.066","","","","has coordinates","216309","2020-10-21","18:00:00",""
"1551699","5.58","0.004","6.709","0.004","12.846","0.004","71.52","0.05","79.41","0.07","83.4","0.08","447.5","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H16 Cl2 Co N2 O8 Pd -","- C12 H16 Cl2 Co N2 O8 Pd -","- C12 H16 Cl2 Co N2 O8 Pd -","1","0.5","","MIYAZAKI, Yuhei; KATAOKA, Yusuke; KAWAMOTO, Tatsuya; MORI, Wasuke","Crystal Structure of Pd(II)-Co(II) Coordination Polymer with Isonicotinic Acid","X-ray Structure Analysis Online","2012","28","","19","","10.2116/xraystruct.28.19","","x-ray","0.71075","MoKα","","","0.0282","","","","0.0954","","","","","","1.006","","","","has coordinates","216310","2020-10-21","18:00:00",""
"1551700","9.7449","0.0008","32.881","0.003","18.6962","0.0016","90","","99.571","0.001","90","","5907.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H45 B N6 Ru -","- C32 H45 B N6 Ru -","- C256 H360 B8 N48 Ru8 -","8","2","","OWALUDE, Samson O.; EKE, Uche B.; ODEBUNMI, Ezekiel O.; NESTEROV, Vladimir N.; MEIJBOOM, Reinout; COVILLE, Neil J.","Crystal Structure of (Cycloocta-1,5-diene)tris(hydrazine)hydrido-ruthenium(II) tetraphenylborate","X-ray Structure Analysis Online","2012","28","","29","","10.2116/xraystruct.28.29","","","0.71073","MoKα","","0.0499","0.0392","","","0.0909","0.0984","","","","","","1.049","","","","has coordinates","216312","2020-10-21","18:00:00",""
"1551701","7.958","0.0004","14.011","0.0016","14.096","0.0014","90","","90","","90","","1571.7","0.3","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Bi Br5 N2 -","- C5 H16 Bi Br5 N2 -","- C20 H64 Bi4 Br20 N8 -","4","1","","OULED MOHAMED SGHAIER, Mohsen; ABDELHEDI, Mohamed; CHAABOUNI, Slaheddine","Synthesis and Crystal Structure of Penthylenediammonium pentabromobismutate(III) [NH3(CH2)5NH3]BiBr5","X-ray Structure Analysis Online","2012","28","","1","","10.2116/xraystruct.28.1","","","0.71073","MoKα","","0.0492","0.0492","","0.0547","0.0547","0.0547","","","","","","1.1721","","","","has coordinates","216313","2020-10-21","18:00:00",""
"1551702","9.409","0.005","12.33","0.005","13.789","0.005","116.13","0.03","96.99","0.04","104.81","0.04","1337","1.2","305","","305","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cr N3 O8 -","- C28 H26 Cr N3 O8 -","- C56 H52 Cr2 N6 O16 -","2","1","","KOIKAWA, Masayuki; TOYOFUKU, Takashi; MUTO, Masahiro; YAMADA, Yasunori; TOKII, Tadashi","Synthesis and Crystal Structure of Bis{2-[(2-hydroxymethylphenyl)-iminomethyl]phenolato}chromium(III) nitrate monohydrate","X-ray Structure Analysis Online","2012","28","","33","","10.2116/xraystruct.28.33","","","0.71069","MoKα","","","0.0494","","","","0.1512","","","","","","0.95","","","","has coordinates","216314","2020-10-21","18:00:00",""
"1551703","24.2721","0.0009","11.6227","0.0004","9.3193","0.0004","90","","107.489","0.004","90","","2507.51","0.18","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2- (4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one","","- C22 H26 O15 -","- C22 H26 O15 -","- C88 H104 O60 -","4","1","","ANTHAL, Sumati; ROY, Rajiv; GUPTA, Vivek K.; BRAHMACHARI, Goutam; JASH, Shyamal K.; MANDAL, Lalan C.","Crystal Structure of 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one trihydrate","X-ray Structure Analysis Online","2012","28","","15","","10.2116/xraystruct.28.15","","","0.71073","MoKα","","0.0602","0.0504","","","0.138","0.1483","","","","","","1","","","","has coordinates","216315","2020-10-21","18:00:00",""
"1551704","12.299","0.0015","10.8108","0.0008","21.277","0.002","90","","99.808","0.009","90","","2787.7","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 O8 -","- C35 H29 O8 -","- C140 H116 O32 -","4","1","","MANOLOV, Ilia; MAICHLE-MOESSMER, Cecilia","Synthesis and Structure of 3,3′-[(4-Benzyloxyphenyl)methylene]bis-(4-hydroxy-2H-chromen-2-one)","X-ray Structure Analysis Online","2012","28","","7","","10.2116/xraystruct.28.7","","","0.71073","MoKα","","0.1325","0.086","","","0.1436","0.1595","","","","","","1.134","","","","has coordinates","216316","2020-10-21","18:00:00",""
"1551705","25.4238","0.0014","6.9922","0.0005","15.1311","0.0008","90","","92.335","0.005","90","","2687.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Diphenylamine-picric acid(1/2)","","- C24 H15 N7 O14 -","- C24 H15 N7 O14 -","- C96 H60 N28 O56 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; VELMURUGAN, R.; SEKAR, M.","Cocrystallization of Diphenylamine and Picric acid (1:2)","X-ray Structure Analysis Online","2012","28","","31","","10.2116/xraystruct.28.31","","","0.71073","MoKα","","0.1345","0.077","","","0.2218","0.2833","","","","","","1.026","","","","has coordinates","216317","2020-10-21","18:00:00",""
"1551706","11.0508","0.0008","12.0159","0.001","10.0074","0.0009","90","","94.761","0.005","90","","1324.25","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","BELHOUCHET, Mohamed; YOUSSEF, Chiraz; BEN AMMAR, Hamed; BEN SALEM, Ridha; MHIRI, Tahar","Synthesis and Crystal Structure of a Benzoxazole Derivative: (E)-2-(6-Methylbenzoxazol-2-yl)-3-phenylacrylonitrile","X-ray Structure Analysis Online","2012","28","","3","","10.2116/xraystruct.28.3","","","0.71073","MoKα","","0.1026","0.0521","","","0.1416","0.1718","","","","","","1.02","","","","has coordinates","216318","2020-10-21","18:00:00",""
"1551707","7.426","0.006","9.302","0.003","19.841","0.009","90","","98.34","0.06","90","","1356.1","1.3","293","2","293","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","Dinitrato aqua 2,2'-bipyridine cadmium(II)","","","- C10 H10 Cd N4 O7 -","- C10 H10 Cd N4 O7 -","- C40 H40 Cd4 N16 O28 -","4","1","","CHERNI, Saoussen Namouchi; CHERNI, Abdessatar; DRISS, Ahmed","Crystal Structure of Bicapped Trigonal-Antiprismatic Coordinated Cd(II) Complex [Cd(C10H8N2)(NO3)2(H2O)]","X-ray Structure Analysis Online","2012","28","","13","","10.2116/xraystruct.28.13","","","0.71073","MoKα","","0.0366","0.0337","","","0.0835","0.0858","","","","","","1.158","","","","has coordinates","287876","2023-11-30","07:26:55",""
"1551708","21.548","0.001","7.6273","0.0003","9.5982","0.0005","90","","100.651","0.002","90","","1550.32","0.12","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimetazidine monohydrochloride","1-(2,3,4-trimethoxybenzyl)piperazine monohydrochloride","","- C14 H23 Cl N2 O3 -","- C14 H23 Cl N2 O3 -","- C56 H92 Cl4 N8 O12 -","4","1","","STEPANOVS, Dmitrijs; MISHNEV, Anatoly","Crystal Structure of 1-(2,3,4-Trimethoxybenzyl)piperazine monohydrochloride","X-ray Structure Analysis Online","2012","28","","5","","10.2116/xraystruct.28.5","","","0.71073","MoKα","","0.1711","0.0545","","","0.0912","0.1181","","","","","","0.896","","","","has coordinates","216320","2020-10-21","18:00:00",""
"1551709","13.112","0.004","5.91","0.001","18.657","0.005","90","","123.785","0.006","90","","1201.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","SHRUTHI, E.; KUMAR, S. Madan; KUSUMA, K.; MANJUNATH, H. R.; VAIDYA, V. P.; SRIDHAR, M. A.; LOKANATH, N. K.","Synthesis and Structural Studies of Ethylnaphtho[2,1-b]furan-2-carboxylate","X-ray Structure Analysis Online","2012","28","","23","","10.2116/xraystruct.28.23","","","0.71073","MoKα","","0.11","0.0929","","","0.2803","0.3228","","","","","","1.316","","","","has coordinates","216321","2020-10-21","18:00:00",""
"1551710","18.7975","0.0012","15.3248","0.0009","24.378","0.002","90","","108.058","0.008","90","","6676.6","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C300 H220 Cl20 O40 -","20","10","","GUPTA, Vivek K.; KAPOOR, Kamini; KUMAR, Sunil; DHAR, Kanahya Lal","Multiple Molecules in the Crystallographic Asymmetric Unit of (Z)-3-(3-Chlorophenyl)-2-phenyl acrylic acid","X-ray Structure Analysis Online","2012","28","","9","","10.2116/xraystruct.28.9","","","0.71073","MoKα","","0.1733","0.0792","","","0.1881","0.2387","","","","","","0.95","","","","has coordinates","216322","2020-10-21","18:00:00",""
"1551711","36.993","0.002","10.1567","0.0007","8.3441","0.0006","90","","90","","90","","3135.1","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","RANGANATHA, V. Lakshmi; VINUTHA, N.; KHANUM, Shaukath A.; ANTHAL, Sumati; REVANNASIDDAIAH, D.; Rajnikant,; GUPTA, Vivek K.","Crystal Structure of (4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester","X-ray Structure Analysis Online","2012","28","0","27","","10.2116/xraystruct.28.27","","","0.71073","MoKα","","0.0878","0.069","","","0.1299","0.1406","","","","","","1.075","","","","has coordinates","216323","2020-10-21","18:00:00",""
"1551712","13.782","0.003","8.33","0.0016","15.755","0.003","90","","97.366","0.007","90","","1793.8","0.6","173","2","173","2","","","101.3","","","","","3","P 1 21/c 1","-P 2ybc","14","5-hydroxyisophthalic acid-ethanol 2:1 solvate","","","- C9 H9 O5.5 -","- C9 H9 O5.5 -","- C72 H72 O44 -","8","2","","SAKON, Aya; UEKUSA, Hidehiro","Supramolecular Structure of 5-Hydroxyisophthalic Acid-Ethanol 2:1 Solvate","X-ray Structure Analysis Online","2012","28","","35","","10.2116/xraystruct.28.35","","x-ray","0.71075","MoKα","","0.1533","0.074","","","0.1719","0.1993","","","","","","0.984","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1551882","15.1905","0.0002","14.3672","0.0002","7.2454","0.0001","90","","96.624","0.001","90","","1570.72","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 O2 -","- C17 H17 N5 O2 -","- C68 H68 N20 O8 -","4","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","1.54178","CuKα","","0.0389","0.0333","","","0.0877","0.0911","","","","","","1.028","","","","has coordinates","216524","2020-10-21","18:00:00",""
"1551883","7.9462","0.001","27.204","0.003","10.9195","0.0013","90","","96.293","0.002","90","","2346.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F6 N5 O6 -","- C21 H19 F6 N5 O6 -","- C84 H76 F24 N20 O24 -","4","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.1297","0.0719","","","0.1922","0.2328","","","","","","1.061","","","","has coordinates","216525","2020-10-21","18:00:00",""
"1551884","7.838","0.002","12.963","0.004","13.201","0.004","106.371","0.003","91.445","0.004","93.803","0.003","1282.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl2 N6 O11 Zn -","- C19 H22 Cl2 N6 O11 Zn -","- C38 H44 Cl4 N12 O22 Zn2 -","2","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.0614","0.0456","","","0.1195","0.1309","","","","","","1.027","","","","has coordinates","216526","2020-10-21","18:00:00",""
"1551885","7.7908","0.0008","12.9951","0.0013","15.0442","0.0015","65.683","0.001","84.903","0.001","86.633","0.001","1382.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl2 N6 O10 Zn -","- C23 H24 Cl2 N6 O10 Zn -","- C46 H48 Cl4 N12 O20 Zn2 -","2","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.0432","0.0326","","","0.0803","0.0866","","","","","","1.056","","","","has coordinates","216527","2020-10-21","18:00:00",""
"1552047","17.3865","0.001","25.0127","0.0011","15.0576","0.0011","90","","90","","90","","6548.3","0.7","120","2","120","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C88 H56 Fe2 N9 -","- C88 H56 Fe2 N9 -","- C352 H224 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0605","0.0439","","","0.0805","0.0856","","","","","","0.881","","","","has coordinates","216865","2020-10-21","18:00:00",""
"1552048","18.928","0.002","18.409","0.003","27.12","0.004","90","","104.089","0.001","90","","9166","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C120 H96 Fe2 N9 -","- C120 H96 Fe2 N9 -","- C480 H384 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0947","0.0487","","","0.0882","0.0978","","","","","","0.901","","","","has coordinates","216866","2020-10-21","18:00:00",""
"1556124","7.7887","0.0016","14.737","0.003","21.142","0.004","90","","90","","90","","2426.7","0.8","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","frojc02","","","- C26 H30 I N O5 -","- C26 H30 I N O5 -","- C104 H120 I4 N4 O20 -","4","1","","Ciesielski, Jennifer; Cariou, Kevin; Frontier, Alison J.","A macrocyclic β-iodoallenolate intermediate is key: synthesis of the ABD core of phomactin A.","Organic letters","2012","14","16","4082","4085","10.1021/ol3017116","","","0.71073","MoKα","","0.0672","0.0418","","","0.0783","0.087","","","","","","0.995","","","","has coordinates","243486","2020-10-21","18:00:00",""
"1556125","6.9621","0.0012","36.328","0.006","6.9667","0.0012","90","","117.642","0.002","90","","1560.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","frojc01","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","2","","Ciesielski, Jennifer; Cariou, Kevin; Frontier, Alison J.","A macrocyclic β-iodoallenolate intermediate is key: synthesis of the ABD core of phomactin A.","Organic letters","2012","14","16","4082","4085","10.1021/ol3017116","","","0.71073","MoKα","","0.1155","0.0858","","","0.2293","0.2512","","","","","","1.059","","","","has coordinates,has disorder","243487","2020-10-21","18:00:00",""
"1556126","9.6487","0.0014","12.0714","0.0017","19.866","0.003","90","","90","","90","","2313.9","0.6","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ubsc13","","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C104 H112 N8 O16 S4 -","4","1","","Sequeira, Fatima C.; Chemler, Sherry R.","Stereoselective synthesis of morpholines via copper-promoted oxyamination of alkenes.","Organic letters","2012","14","17","4482","4485","10.1021/ol301984b","","","0.71073","MoKα","","0.0476","0.0385","","","0.0927","0.0983","","","","","","1.04","","","","has coordinates","243488","2020-10-21","18:00:00",""
"1556127","7.8732","0.0009","7.9554","0.0009","9.7428","0.0011","91.356","0.002","108.391","0.002","92.72","0.002","577.93","0.11","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","brkrm02","","","- C12 H12 O7 -","- C12 H12 O7 -","- C24 H24 O14 -","2","1","","Meck, Christine; Mohd, Noushad; Murelli, Ryan P.","An oxidopyrylium cyclization/ring-opening route to polysubstituted α-hydroxytropolones.","Organic letters","2012","14","23","5988","5991","10.1021/ol302892g","","","0.71073","MoKα","","0.07","0.0494","","","0.1291","0.1427","","","","","","1.049","","","","has coordinates","243489","2020-10-21","18:00:00",""
"1556286","11.5434","0.0011","14.8956","0.0015","15.1659","0.0015","62.313","0.001","86.134","0.001","78.115","0.001","2258.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.2 H48.4 Cl0.4 N2 O P2 -","- C54.2 H48.4 Cl0.4 N2 O P2 -","- C108.4 H96.8 Cl0.8 N4 O2 P4 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.1432","0.0646","","","0.1472","0.1827","","","","","","1.11","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556287","18.0198","0.0009","14.0045","0.0007","16.7584","0.0009","90","","109.646","0.001","90","","3982.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N2 O P2 -","- C50 H40 N2 O P2 -","- C200 H160 N8 O4 P8 -","4","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0465","0.0394","","","0.1041","0.1079","","","","","","1.081","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556288","9.373","0.011","13.769","0.017","17.95","0.02","104.285","0.015","90.99","0.014","92.535","0.015","2242","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 N2 O P2 -","- C51 H39 N2 O P2 -","- C102 H78 N4 O2 P4 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.178","0.0794","","","0.1825","0.2141","","","","","","0.915","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556289","14.3702","0.0007","15.2542","0.0007","17.2588","0.0008","81.451","0.001","66.469","0.001","76.867","0.001","3370.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H77 B N2 O P2 Zn -","- C85 H77 B N2 O P2 Zn -","- C170 H154 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.037","0.0302","","","0.0785","0.0825","","","","","","1.016","","","","has coordinates","244148","2020-10-21","18:00:00",""
"1556290","9.9214","0.0008","17.1175","0.0013","18.4747","0.0014","86.754","0.001","78.725","0.001","80.859","0.001","3036.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.18 H63.47 B N2 O P2 Zn -","- C76.2 H63.48 B N2 O P2 Zn -","- C152.4 H126.96 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0878","0.0445","","","0.0849","0.0987","","","","","","1.012","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556291","9.9023","0.0005","16.867","0.0009","20.7112","0.0011","101.974","0.001","91.114","0.001","95.296","0.001","3366.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.65 H63.86 B N2 O P2 Zn -","- C80.65 H63.86 B N2 O P2 Zn -","- C161.3 H127.72 B2 N4 O2 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0465","0.0387","","","0.1026","0.1073","","","","","","1.069","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556292","11.4655","0.0017","19.564","0.003","19.662","0.003","99.64","0.002","103.416","0.002","92.916","0.002","4210.9","1.1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C86.83 H60.66 B Cl1.66 F24 N2 O4 P2 Zn -","- C86.83 H60.66 B Cl1.66 F24 N2 O4 P2 Zn -","- C173.66 H121.32 B2 Cl3.32 F48 N4 O8 P4 Zn2 -","2","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.1704","0.0785","","","0.1742","0.2148","","","","","","1.02","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556293","18.781","0.0011","27.1179","0.0016","18.6506","0.0011","90","","116.785","0.001","90","","8479.6","0.9","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C90 H60 B Br0.38 F24 N2 O4 P2 Zn -","- C90 H60 B Br0.38 F24 N2 O4 P2 Zn -","- C360 H240 B4 Br1.52 F96 N8 O16 P8 Zn4 -","4","1","","Wheaton, Craig A.; Hayes, Paul G.","Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes","Catal. Sci. Technol.","2012","2","1","125","","10.1039/C1CY00306B","","","0.71073","MoKα","","0.0797","0.0613","","","0.1516","0.1617","","","","","","1.117","","","","has coordinates,has disorder","244148","2020-10-21","18:00:00",""
"1556294","10.378","0.002","16.008","0.003","31.765","0.006","90","","95.61","0.03","90","","5251.9","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H50 Br2 N2 Ni -","- C57 H50 Br2 N2 Ni -","- C228 H200 Br8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.0886","0.0696","","","0.1778","0.1894","","","","","","1.175","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556295","15.352","0.003","22.551","0.005","15.38","0.003","90","","106.96","0.03","90","","5093","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Br2 N2 Ni -","- C56 H48 Br2 N2 Ni -","- C224 H192 Br8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.0937","0.0683","","","0.1528","0.1664","","","","","","1.105","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556296","15.33","0.003","22.285","0.005","14.954","0.003","90","","106.33","0.03","90","","4902.6","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl2 N2 Ni O0 -","- C54 H44 Cl2 N2 Ni -","- C216 H176 Cl8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands","Catal. Sci. Technol.","2012","2","2","415","","10.1039/C1CY00319D","","","0.71073","MoKα","","0.1619","0.1173","","","0.278","0.3059","","","","","","1.155","","","","has coordinates","244149","2020-10-21","18:00:00",""
"1556297","15.492","0.008","17.191","0.01","25.784","0.01","90","","90","","90","","6867","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Cl4 Co N3 O2 -","- C28 H33 Cl4 Co N3 O2 -","- C224 H264 Cl32 Co8 N24 O16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.3039","0.0972","","","0.201","0.2764","","","","","","0.85","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556298","23.2849","0.0008","16.2809","0.0004","17.6654","0.0005","90","","106.957","0.003","90","","6405.8","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 Cl4 Fe N3 S2 -","- C28 H33 Cl4 Fe N3 S2 -","- C224 H264 Cl32 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.0892","0.0539","","0.1494","","0.1265","","","1.027","","","1.103","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556299","16.114","0.002","8.9394","0.0007","27.383","0.004","90","","99.828","0.014","90","","3886.6","0.8","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Cl2 Fe N3 O3 -","- C41 H43 Cl2 Fe N3 O3 -","- C164 H172 Cl8 Fe4 N12 O12 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.1164","0.0586","","0.1604","","0.1274","","","1.041","","","1.146","","","","has coordinates","244205","2020-10-21","18:00:00",""
"1556300","17.148","0.004","20.564","0.004","22.319","0.004","90","","90","","90","","7870","3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Fe N3 S2 -","- C38 H37 Cl4 Fe N3 S2 -","- C304 H296 Cl32 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1875","0.075","","","0.1522","0.1874","","","","","","0.926","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556301","12.3896","0.0016","19.617","0.002","16.797","0.002","90","","95.449","0.016","90","","4064","0.8","203","","203","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H38 Cl6 N3 S2 V -","- C38.5 H38 Cl6 N3 S2 V -","- C154 H152 Cl24 N12 S8 V4 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0976","0.0545","","","0.1164","0.1297","","","","","","0.987","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556302","12.3561","0.0014","19.623","0.002","16.75","0.002","90","","95.756","0.015","90","","4040.8","0.8","203","","203","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H38 Cl6 Cr N3 S2 -","- C38.5 H38 Cl6 Cr N3 S2 -","- C154 H152 Cl24 Cr4 N12 S8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0648","0.0416","","","0.0966","0.1051","","","","","","1.02","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556303","17.056","0.003","20.693","0.007","22.231","0.004","90","","90","","90","","7846","3","203","","203","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Mn N3 S2 -","- C38 H37 Cl4 Mn N3 S2 -","- C304 H296 Cl32 Mn8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1762","0.0746","","","0.1239","0.1495","","","","","","0.925","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556304","17.54","0.003","20.405","0.004","22.23","0.004","90","","90","","90","","7956","3","203","","203","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H43 Br2 N3 Ni O S2 -","- C41 H43 Br2 N3 Ni O S2 -","- C328 H344 Br16 N24 Ni8 O8 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1832","0.0786","","","0.1878","0.2168","","","","","","1.049","","","","has coordinates","244205","2020-10-21","18:00:00",""
"1556305","9.2178","0.0011","29.17","0.002","16.7749","0.0011","90","","92.674","0.007","90","","4505.6","0.7","183","","183","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H50 Cl5 Fe N3 O2 -","- C44.5 H50 Cl5 Fe N3 O2 -","- C178 H200 Cl20 Fe4 N12 O8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.0899","0.0562","","0.1567","0.1323","","","","1.029","","","1.085","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556306","12.8687","0.0006","19.6515","0.0016","18.0924","0.0009","90","","90.931","0.004","90","","4574.8","0.5","183","","183","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.25 H49.5 Cl4.5 Co N3 O2 -","- C44.25 H49.5 Cl4.5 Co N3 O2 -","- C177 H198 Cl18 Co4 N12 O8 -","4","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.106","0.0615","","","0.1421","0.1587","","","","","","1.008","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556307","34.005","0.003","10.0092","0.0011","27.105","0.003","90","","94.482","0.007","90","","9197.3","1.7","183","","183","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H50 Cl5 Fe N3 S2 -","- C44.5 H50 Cl5 Fe N3 S2 -","- C356 H400 Cl40 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.1005","0.0594","","","0.1282","0.1417","","","","","","1.029","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556308","34.234","0.006","10.0665","0.001","27.315","0.004","90","","93.888","0.012","90","","9392","2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H50 Cl5 Co N3 S2 -","- C44.5 H50 Cl5 Co N3 S2 -","- C356 H400 Cl40 Co8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.0878","0.0494","","","0.1171","0.1321","","","","","","1.005","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556309","7.8175","0.0016","16.296","0.003","16.654","0.003","100.4","0.03","100.58","0.03","102.97","0.03","1977.2","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Cl O3 P Pd -","- C19 H26 Cl O3 P Pd -","- C76 H104 Cl4 O12 P4 Pd4 -","4","2","","Fuentes, José A.; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Application of palladium (trioxo-adamantyl cage phosphine)chloride complexes as catalysts for the alkoxycarbonylation of styrene; Pd catalysed tert-butoxycarbonylation of styrene","Catalysis Science & Technology","2012","2","4","715","","10.1039/c2cy00521b","","","0.71073","MoKα","","0.0798","0.0594","","","0.1431","0.1561","","","","","","1.164","","","","has coordinates","244206","2020-10-21","18:00:00",""
"1556310","9.552","0.003","15.094","0.004","16.038","0.004","90","","100.126","0.007","90","","2276.3","1.1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl O4 P Pd -","- C22 H32 Cl O4 P Pd -","- C88 H128 Cl4 O16 P4 Pd4 -","4","1","","Fuentes, José A.; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Application of palladium (trioxo-adamantyl cage phosphine)chloride complexes as catalysts for the alkoxycarbonylation of styrene; Pd catalysed tert-butoxycarbonylation of styrene","Catalysis Science & Technology","2012","2","4","715","","10.1039/c2cy00521b","","","0.71073","MoKα","","0.0455","0.0411","","","0.0954","0.0981","","","","","","1.1","","","","has coordinates","244206","2020-10-21","18:00:00",""
"1556311","8.301","0.003","10.979","0.004","11.71","0.003","80.225","0.012","85.04","0.03","89.69","0.02","1047.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F12 N2 O2 -","- C18 H18 F12 N2 O2 -","- C36 H36 F24 N4 O4 -","2","1","","Legros, Julien; Bonnet-Delpon, Danièle; Crousse, Benoit; Slawin, Alexandra M. Z.","Self-assembly between 1,4-diazabicyclo[2.2.2]octane and bis(hexafluoroalcohols): solid/liquid phase switching for catalyst recycling","Catalysis Science & Technology","2012","2","5","934","","10.1039/c2cy00528j","","","1.54178","CuKα","","0.07","0.059","","","0.1634","0.177","","","","","","1.088","","","","has coordinates","244207","2020-10-21","18:00:00",""
"1556312","25.06","0.02","6.782","0.005","13.057","0.015","90","","110.81","0.03","90","","2074","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 F12 N2 O2 -","- C18 H18 F12 N2 O2 -","- C72 H72 F48 N8 O8 -","4","1","","Legros, Julien; Bonnet-Delpon, Danièle; Crousse, Benoit; Slawin, Alexandra M. Z.","Self-assembly between 1,4-diazabicyclo[2.2.2]octane and bis(hexafluoroalcohols): solid/liquid phase switching for catalyst recycling","Catalysis Science & Technology","2012","2","5","934","","10.1039/c2cy00528j","","","1.54178","CuKα","","0.1404","0.1324","","","0.3253","0.3567","","","","","","1.33","","","","has coordinates","244207","2020-10-21","18:00:00",""
"1556313","7.724","0.005","13.385","0.005","14","0.005","68.935","0.005","83.939","0.005","89.447","0.005","1342.5","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Br N3 O5 Pd S -","- C23 H20 Br N3 O3 Pd S -","- C46 H40 Br2 N6 O6 Pd2 S2 -","2","1","","Srinivas, Keesara; Srinivas, Pottabathula; Prathima, Parvathaneni Sai; Balaswamy, Kodicherla; Sridhar, Balsubramanian; Rao, Mandapati Mohan","Thiopseudourea ligated palladium complexes: synthesis, characterization and application as catalysts for Suzuki‒Miyaura, Sonogashira, Heck and Hiyama reactions","Catalysis Science & Technology","2012","2","6","1180","","10.1039/c2cy00542e","","x-ray","0.71073","MoKα","","0.0298","0.0278","","","0.0767","0.0784","","","","","","1.077","","","","has coordinates","244208","2020-10-21","18:00:00",""
"1556314","10.515","0.002","13.887","0.003","15.272","0.003","80.61","0.03","71.05","0.03","70.1","0.03","1979.8","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H84 Br0 N2 Ni O2 -","- C90 H84 N2 Ni O2 -","- C90 H84 N2 Ni O2 -","1","0.5","","Zhou, Zihong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Nickel bis{4,6-dibenzhydryl-2-[(arylimino)methyl]phenoxylate} complexes: Synthesis, structures, and catalytic behaviour towards ethylene and norbornene","Catalysis Science & Technology","2012","2","7","1340","","10.1039/c2cy20028g","","","0.71073","MoKα","","","0.0787","","","0.2086","0.2206","","","","","","1.144","","","","has coordinates","244209","2020-10-21","18:00:00",""
"1556315","47.225","0.009","16.333","0.003","17.278","0.004","90","","110.26","0.03","90","","12502","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H56 F4 N2 Ni O2 -","- C78 H56 F4 N2 Ni O2 -","- C624 H448 F32 N16 Ni8 O16 -","8","1","","Zhou, Zihong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua","Nickel bis{4,6-dibenzhydryl-2-[(arylimino)methyl]phenoxylate} complexes: Synthesis, structures, and catalytic behaviour towards ethylene and norbornene","Catalysis Science & Technology","2012","2","7","1340","","10.1039/c2cy20028g","","","0.71073","MoKα","","","0.0974","","","0.2313","0.2436","","","","","","1.175","","","","has coordinates","244209","2020-10-21","18:00:00",""
"1556316","8.8191","0.0006","17.5507","0.0011","20.7531","0.0013","90","","90","","90","","3212.2","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C136 H136 N8 O40 -","8","1","","Ananthakrishnan, Rajakumar; Gazi, Sarifuddin","[Ru(bpy)3]2+ aided photocatalytic synthesis of 2-arylpyridines via Hantzsch reaction under visible irradiation and oxygen atmosphere","Catalysis Science & Technology","2012","2","7","1463","","10.1039/c2cy20050c","","","0.71073","MoKα","","0.0788","0.052","","","0.1416","0.1682","","","","","","1.053","","","","has coordinates","244210","2020-10-21","18:00:00",""
"1556317","10.9698","0.0005","12.9718","0.0006","13.3427","0.0007","91.834","0.003","104.278","0.003","92.66","0.003","1836.16","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N2 O3 Zn -","- C40 H54 N2 O3 Zn -","- C80 H108 N4 O6 Zn2 -","2","1","","Taherimehr, Masoumeh; Decortes, Antonello; Al-Amsyar, Syed M.; Lueangchaichaweng, Warunee; Whiteoak, Christopher J.; Escudero-Adán, Eduardo C.; Kleij, Arjan W.; Pescarmona, Paolo P.","A highly active Zn(salphen) catalyst for production of organic carbonates in a green CO2 medium","Catalysis Science & Technology","2012","2","11","2231","","10.1039/c2cy20171b","","","0.71073","MoKα","","0.0597","0.0431","","","0.1182","0.1279","","","","","","1.043","","","","has coordinates,has disorder","244211","2020-10-21","18:00:00",""
"1556318","42.19","","9.719","","31.932","","90","","110.08","","90","","12297.6","","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68.5 H85 N4 O9 Zn2 -","- C68.5 H85 N4 O9 Zn2 -","- C548 H680 N32 O72 Zn16 -","8","1","","Taherimehr, Masoumeh; Decortes, Antonello; Al-Amsyar, Syed M.; Lueangchaichaweng, Warunee; Whiteoak, Christopher J.; Escudero-Adán, Eduardo C.; Kleij, Arjan W.; Pescarmona, Paolo P.","A highly active Zn(salphen) catalyst for production of organic carbonates in a green CO2 medium","Catalysis Science & Technology","2012","2","11","2231","","10.1039/c2cy20171b","","","0.71073","MoKα","","0.063","0.0393","","","0.0984","0.112","","","","","","1.024","","","","has coordinates,has disorder","244211","2020-10-21","18:00:00",""
"1556319","17.529","0.004","18.752","0.004","25.656","0.005","90","","90","","90","","8433","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H38 Cl2 N2 O Ti -","- C48 H38 Cl2 N2 O Ti -","- C384 H304 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates","Catalysis Science & Technology","2012","2","10","2090","","10.1039/c2cy20240a","","","0.71073","MoKα","","0.1428","0.1065","","","0.2577","0.2817","","","","","","1.153","","","","has coordinates","244212","2020-10-21","18:00:00",""
"1556320","53.675","0.011","10.021","0.002","24.886","0.005","90","","100.29","0.03","90","","13170","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 N2 O Ti -","- C37 H32 Cl2 N2 O Ti -","- C592 H512 Cl32 N32 O16 Ti16 -","16","2","","Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates","Catalysis Science & Technology","2012","2","10","2090","","10.1039/c2cy20240a","","","0.71073","MoKα","","","0.0932","","","0.2446","0.2632","","","","","","1.069","","","","has coordinates","244212","2020-10-21","18:00:00",""
"1556321","18.108","0.001","9.5124","0.0005","18.3546","0.0012","90","","113.59","0.008","90","","2897.4","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Au Cl3 N2 -","- C12 H12 Au Cl3 N2 -","- C96 H96 Au8 Cl24 N16 -","8","2","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)–oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.710747","Molybdenum","","0.0199","0.0175","","","0.0437","0.0447","","","","","","1.044","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556322","22.1175","0.001","14.791","0.0007","9.5257","0.0004","90","","99.676","0.002","90","","3071.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Au Cl4 N2 -","- C12 H13 Au Cl4 N2 -","- C96 H104 Au8 Cl32 N16 -","8","1","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)‒oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.71073","MoKα","","0.0356","0.0275","","","0.0615","0.0649","","","","","","1.016","","","","has coordinates","244213","2020-10-21","18:00:00",""
"1556323","7.6032","0.0006","9.2289","0.0008","9.96","0.0009","82.321","0.005","85.907","0.005","88.085","0.005","690.65","0.1","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Au Cl N2 O5 -","- C12 H12 Au Cl N2 O5 -","- C24 H24 Au2 Cl2 N4 O10 -","2","1","","O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan","Gold(iii)‒oxo complexes as catalysts in intramolecular hydroamination","Catalysis Science & Technology","2012","2","9","1818","","10.1039/c2cy20255g","","","0.71073","MoKα","","0.0821","0.0724","","","0.1982","0.2089","","","","","","1.063","","","","has coordinates","244213","2020-10-21","18:00:00",""
"1556324","20.5265","0.0009","13.4139","0.0009","29.7267","0.0015","90","","91.812","0.002","90","","8180.9","0.8","116","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl4 N2 O3 Ru -","- C40 H54 Cl4 N2 O3 Ru -","- C320 H432 Cl32 N16 O24 Ru8 -","8","2","","Leitgeb, Anita; Abbas, Mudassar; Fischer, Roland C.; Poater, Albert; Cavallo, Luigi; Slugovc, Christian","A latent ruthenium based olefin metathesis catalyst with a sterically demanding NHC ligand","Catalysis Science & Technology","2012","2","8","1640","","10.1039/c2cy20311a","","x-ray","0.71073","MoKα","","0.0468","0.0284","","","0.0608","0.0706","","","","","","1.029","","","","has coordinates","244214","2020-10-21","18:00:00",""
"1556344","23.8831","0.0004","20.6857","0.0003","20.2699","0.0003","90","","92.546","0.001","90","","10004.2","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H253 Br7 Co6 O75 Ti27 -","- C107.94 H244.86 Br7 Co6 O75 Ti27 -","- C215.88 H489.72 Br14 Co12 O150 Ti54 -","2","0.5","","Lv, Yaokang; Willkomm, Janina; Steiner, Alexander; Gan, Lihua; Reisner, Erwin; Wright, Dominic S.","Encapsulation of a ‘naked’ Br− anion in a polyoxotitanate host","Chemical Science","2012","3","8","2470","","10.1039/c2sc20193c","","","0.71073","MoKα","","0.1064","0.0785","","","0.2167","0.2382","","","","","","0.971","","","","has coordinates,has disorder","244372","2020-10-21","18:00:00",""
"1556345","11.3168","0.0003","13.0498","0.0003","19.2278","0.0004","95.398","0.0019","103.654","0.002","97.2625","0.0019","2714.5","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C22.5 H27 Cl F6 I N2 O2 Os P -","- C22.5 H26 Cl F6 I N2 O2 Os P -","- C90 H104 Cl4 F24 I4 N8 O8 Os4 P4 -","4","2","","Fu, Ying; Romero, María J.; Habtemariam, Abraha; Snowden, Michael E.; Song, Lijiang; Clarkson, Guy J.; Qamar, Bushra; Pizarro, Ana M.; Unwin, Patrick R.; Sadler, Peter J.","The contrasting chemical reactivity of potent isoelectronic iminopyridine and azopyridine osmium(ii) arene anticancer complexes","Chemical Science","2012","3","8","2485","","10.1039/c2sc20220d","","","0.71073","MoKα","","0.045","0.0332","","","0.0793","0.0817","","","","","","1.061","","","","has coordinates,has disorder","244373","2020-10-21","18:00:00",""
"1556346","7.9553","0.0006","7.9553","0.0006","18.7605","0.0013","90","","90","","90","","1187.29","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(H2im)2SO4.2H2O","IMIDAZOLIUM SULFATE DIHYDRATE","","- C6 H14 N4 O6 S -","- C6 H14 N4 O6 S -","- C24 H56 N16 O24 S4 -","4","0.5","","Cliffe, Matthew J.; Mottillo, Cristina; Stein, Robin S.; Bučar, Dejan-Krešimir; Friščić, Tomislav","Accelerated aging: a low energy, solvent-free alternative to solvothermal and mechanochemical synthesis of metal‒organic materials","Chemical Science","2012","3","8","2495","","10.1039/c2sc20344h","","","0.71073","MoKα","","0.0274","0.0256","","","0.0701","0.0711","","","","","","1.102","","","","has coordinates","244374","2020-10-21","18:00:00",""
"1556347","17.5328","0.0003","30.3514","0.0005","49.1818","0.0008","90","","90","","90","","26171.9","0.8","298","2","298","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C144 Cu6 O42 P3 -","- C144 Cu6 O42 P3 -","- C288 Cu12 O84 P6 -","2","0.25","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.0895","0.065","","","0.1796","0.1907","","","","","","1.083","","","","has coordinates,has disorder","244375","2020-10-21","18:00:00",""
"1556348","24.4616","0.0004","24.4616","0.0004","71.8721","0.0012","90","","90","","90","","43006.1","1.2","298","2","298","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C48 H24 Cu2 O14 P -","- C48 H24 Cu2 O14 P -","- C384 H192 Cu16 O112 P8 -","8","0.5","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.0408","0.0271","","","0.0501","0.053","","","","","","0.811","","","","has coordinates","244375","2020-10-21","18:00:00",""
"1556349","18.744","0.0008","18.744","0.0008","29.259","0.0012","90","","90","","90","","10279.8","0.8","296","2","296","2","","","","","","","","3","P 42 2 2","P 4c 2","93","","","","- C26 Cu O5 -","- C26 Cu O6 -","- C104 Cu4 O24 -","4","0.5","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.2003","0.164","","","0.4129","0.438","","","","","","1.276","","","","has coordinates","244375","2020-10-21","18:00:00",""
"1556350","14.7976","0.0003","23.2598","0.0005","20.8144","0.0004","90","","92.145","0.002","90","","7159.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H75 K N7 Nd O10 -","- C79 H75 K N7 Nd O10 -","- C316 H300 K4 N28 Nd4 O40 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0853","0.0469","","","0.0937","0.1061","","","","","","1.021","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556351","16.1709","0.0013","17.5403","0.0013","19.5362","0.0015","90.671","0.006","113.704","0.007","96.867","0.006","5026.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.1 H150.89 K N4 Nd O12 -","- C108.094 H150.886 K N4 Nd O12 -","- C216.188 H301.772 K2 N8 Nd2 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.1413","0.0706","","","0.1354","0.1475","","","","","","0.963","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556352","15.6191","0.0005","27.7932","0.0008","19.045","0.0006","90","","97.395","0.003","90","","8198.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C355 H283 K18 N47 Nd6 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0914","0.0626","","","0.1206","0.1355","","","","","","1.054","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556353","14.5693","0.0013","30.262","0.003","14.6011","0.0013","90","","108.494","0.009","90","","6105.1","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 K3 N9 O4 Tb -","- C65 H53 K3 N9 O4 Tb -","- C260 H212 K12 N36 O16 Tb4 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.1479","0.1004","","","0.2392","0.2722","","","","","","1.055","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556354","14.0578","0.0005","12.1559","0.0004","19.078","0.0007","90","","89.466","0.004","90","","3260","0.2","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C64 H78 I K2 N4 Nd O16 -","- C64 H78 I K2 N4 Nd O16 -","- C128 H156 I2 K4 N8 Nd2 O32 -","2","0.5","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0937","0.0654","","","0.1776","0.1999","","","","","","1.074","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556355","13.3718","0.0003","15.0596","0.0003","19.3034","0.0004","90","","102.603","0.002","90","","3793.54","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H45.5 K N3.5 Nd O8 -","- C39.5 H45.5 K N3.5 Nd O8 -","- C158 H182 K4 N14 Nd4 O32 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0613","0.0384","","","0.0731","0.0796","","","","","","1.036","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556356","11.3941","0.0002","12.6121","0.0002","14.341","0.0002","66.008","0.001","82.323","0.001","66.713","0.001","1728.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H112 Ni2 P10 -","- C65 H112 Ni2 P10 -","- C65 H112 Ni2 P10 -","1","0.5","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0458","0.0408","","","0.1111","0.1159","","","","","","1.063","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556357","20.4091","0.0011","16.3489","0.0009","26.2219","0.0018","90","","111.97","0.001","90","","8114","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C87 H114 O2 P8 Pt2 -","- C87 H114 O2 P8 Pt2 -","- C348 H456 O8 P32 Pt8 -","4","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0459","0.0329","","","0.0571","0.0612","","","","","","1.015","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556358","12.3521","0.0003","14.0198","0.0003","23.3487","0.0005","74.059","0.001","80.729","0.001","82.851","0.001","3823.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H106 O P8 Pd2 -","- C83 H106 O P8 Pd2 -","- C166 H212 O2 P16 Pd4 -","2","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0594","0.0539","","","0.1587","0.1624","","","","","","1.264","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556359","23.055","0.0002","23.055","0.0002","31.0318","0.0004","90","","90","","120","","14284.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C108 H126 Ni2 P8 -","- C108 H126 Ni2 P8 -","- C648 H756 Ni12 P48 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0376","0.0327","","","0.0855","0.0905","","","","","","1.032","","","","has coordinates","244377","2020-10-21","18:00:00",""
"1556360","23.0523","0.0008","23.0523","0.0008","31.4482","0.0011","90","","90","","120","","14472.9","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H126 As2 Ni2 P6 -","- C108 H126 As2 Ni2 P6 -","- C648 H756 As12 Ni12 P36 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0368","0.0277","","","0.0695","0.0766","","","","","","1.028","","","","has coordinates","244377","2020-10-21","18:00:00",""
"1556361","9.307","0.0001","11.3957","0.0001","19.4004","0.0002","87.957","0.001","81.71","0.001","71.96","0.001","1935.92","0.04","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1822","","","- C44 H54 Mg N2 O -","- C44 H54 Mg N2 O -","- C88 H108 Mg2 N4 O2 -","2","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0846","0.0491","","","0.1284","0.147","","","","","","1.038","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556362","9.2133","0.0001","12.1983","0.0001","15.8164","0.0002","85.663","0.001","78.098","0.001","87.241","0.001","1733.39","0.03","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1825","","","- C37 H58 Mg N2 O -","- C37 H58 Mg N2 O -","- C74 H116 Mg2 N4 O2 -","2","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0632","0.0427","","","0.1078","0.118","","","","","","1.037","","","","has coordinates","244378","2020-10-21","18:00:00",""
"1556363","18.122","0.0002","14.9771","0.0002","18.2681","0.0002","90","","103.969","0.001","90","","4811.6","0.1","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Chisholm 1828","","","- C52 H70 Mg N2 O4 -","- C52 H70 Mg N2 O4 -","- C208 H280 Mg4 N8 O16 -","4","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.1069","0.0602","","","0.1608","0.1876","","","","","","1.028","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556364","18.4898","0.0003","18.3357","0.0003","12.0991","0.0002","90","","123.001","0.001","90","","3440.09","0.11","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","Chisholm 1855","","","- C72 H114 Mg2 N4 O2 -","- C72 H114 Mg2 N4 O2 -","- C144 H228 Mg4 N8 O4 -","2","0.25","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0837","0.0596","","","0.1595","0.1745","","","","","","1.037","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556365","28.1795","0.0007","14.8684","0.0004","8.9668","0.0002","90","","90","","90","","3756.95","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H50 Dy3 N8 O21 -","- C22 H49 Dy3 N8 O21 -","- C88 H196 Dy12 N32 O84 -","4","1","","Wang, Yu-Xia; Shi, Wei; Li, Han; Song, You; Fang, Liang; Lan, Yanhua; Powell, Annie K.; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Shen, Mingrong; Cheng, Peng","A single-molecule magnet assembly exhibiting a dielectric transition at 470 K","Chemical Science","2012","3","12","3366","","10.1039/c2sc21023a","","","0.71073","MoKα","","0.0412","0.0404","","","0.0987","0.0993","","","","","","1.06","","","","has coordinates","244379","2020-10-21","18:00:00",""
"1556366","10.762","0.0003","11.0051","0.0003","25.8757","0.0009","85.0791","0.0015","82.5425","0.0016","64.607","0.0015","2743.58","0.15","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H35 N O7 P Si2 W -","- C19 H35 N O7 P Si2 W -","- C76 H140 N4 O28 P4 Si8 W4 -","4","2","","Schulten, Christian; von Frantzius, Gerd; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Deoxygenation of carbon dioxide by electrophilic terminal phosphinidene complexes","Chemical Science","2012","3","12","3526","","10.1039/c2sc21081a","","","0.71073","MoKα","","0.0791","0.0391","","","0.0644","0.0727","","","","","","0.878","","","","has coordinates","244380","2020-10-21","18:00:00",""
"1556367","6.2648","0.0002","8.9839","0.0003","20.5622","0.0005","90","","95.46","0.001","90","","1152.04","0.06","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F3 N2 O -","- C12 H9 F3 N2 O -","- C48 H36 F12 N8 O4 -","4","1","","Feng, Chao; Loh, Teck-Peng","Copper-catalyzed olefinic trifluoromethylation of enamides at room temperature","Chemical Science","2012","3","12","3458","","10.1039/c2sc21164e","","","0.71073","MoKα","","0.0588","0.0454","","","0.1258","0.1427","","","","","","1.088","","","","has coordinates","244381","2020-10-21","18:00:00",""
"1556368","11.3277","0.0018","18.234","0.003","15.932","0.003","90","","97.573","0.002","90","","3262","1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H25 Cl3 F12 N5 O P2 Ru -","- C24.5 H25 Cl3 F12 N5 O P2 Ru -","- C98 H100 Cl12 F48 N20 O4 P8 Ru4 -","4","1","","Ohzu, Shingo; Ishizuka, Tomoya; Hirai, Yuichirou; Jiang, Hua; Sakaguchi, Miyuki; Ogura, Takashi; Fukuzumi, Shunichi; Kojima, Takahiko","Mechanistic insight into catalytic oxidations of organic compounds by ruthenium(iv)-oxo complexes with pyridylamine ligands","Chemical Science","2012","3","12","3421","","10.1039/c2sc21195e","","","0.71073","MoKα","","0.0753","0.0512","","","0.1262","0.1407","","","","","","1.033","","","","has coordinates,has disorder","244382","2020-10-21","18:00:00",""
"1556369","11.892","0.003","7.5168","0.0013","17.092","0.004","90","","95.099","0.008","90","","1521.8","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","1.54187","CuKα","","","0.1086","","","","0.3165","","","","","","1.465","","","","has coordinates","244383","2020-10-21","18:00:00",""
"1556370","19.168","0.013","6.189","0.005","8.461","0.005","90","","90","","90","","1003.7","1.2","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","0.5","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","0.71075","MoKα","","","0.1057","","","","0.2968","","","","","","1.134","","","","has coordinates","244383","2020-10-21","18:00:00",""
"1562840","7.8514","0.0016","7.8514","0.0016","46.203","0.014","90","","90","","120","","2466.6","1","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","Ba2 Bi3 B25 O44","Barium Bismuth Borate","","- B25 Ba2 Bi3 O44 -","- B25.02 Ba2 Bi3 O43.96 -","- B75.06 Ba6 Bi9 O131.88 -","3","0.0833333","","Krivovichev, S.V.; Bubnova, R.S.; Volkov, S.N.; Krzhizhanovskaya, M.G.; Egorysheva, A.V.; Filatov, S.K.","Preparation, crystal structure and thermal expansion of a novel layered borate, Ba2Bi3B25O44","Journal of Solid State Chemistry","2012","196","","11","16","10.1016/j.jssc.2012.07.051","","","0.71073","MoKα","","0.0301","0.0297","","","0.0902","0.0905","","","","","","1.095","","","","has coordinates","265480","2021-05-25","08:18:40",""
"1562841","6.1341","0.0006","9.875","0.0009","10.9292","0.0011","66.149","0.001","81.395","0.002","74.904","0.001","583.86","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 F2 O17 Sm2 -","- C18 H16 F2 O17 Sm2 -","- C18 H16 F2 O17 Sm2 -","1","0.5","","Cha, Yu-E; Li, Xia; Song, Shuang","Synthesis, structure and luminescence property of 2D lanthanide complexes with 3-fluorophthalate and oxalate","Journal of Solid State Chemistry","2012","196","","40","44","10.1016/j.jssc.2012.07.052","","","0.71073","MoKα","","0.0379","0.0355","","","0.0932","0.095","","","","","","1.024","","","","has coordinates,has disorder","265481","2021-05-25","08:26:43",""
"1562842","6.1253","0.0005","9.9005","0.001","10.9297","0.0012","66.193","0.001","81.38","0.002","74.879","0.001","584.67","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Eu2 F2 O17 -","- C18 H16 Eu2 F2 O17 -","- C18 H16 Eu2 F2 O17 -","1","0.5","","Cha, Yu-E; Li, Xia; Song, Shuang","Synthesis, structure and luminescence property of 2D lanthanide complexes with 3-fluorophthalate and oxalate","Journal of Solid State Chemistry","2012","196","","40","44","10.1016/j.jssc.2012.07.052","","","0.71073","MoKα","","0.0298","0.0284","","","0.0739","0.0752","","","","","","1.045","","","","has coordinates,has disorder","265481","2021-05-25","08:26:43",""
"1562843","6.0495","0.0004","9.893","0.0007","10.8517","0.0008","66.075","0.003","81.316","0.003","74.49","0.003","571.36","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 F O8.5 Tb -","- C9 H9 F O8.5 Tb -","- C18 H18 F2 O17 Tb2 -","2","1","","Cha, Yu-E; Li, Xia; Song, Shuang","Synthesis, structure and luminescence property of 2D lanthanide complexes with 3-fluorophthalate and oxalate","Journal of Solid State Chemistry","2012","196","","40","44","10.1016/j.jssc.2012.07.052","","","0.71073","MoKα","","0.0162","0.0157","","","0.0405","0.0408","","","","","","1.119","","","","has coordinates","265481","2021-05-25","08:26:43",""
"1562844","6.0601","0.0005","9.935","0.0008","10.8869","0.0009","66.103","0.001","81.303","0.002","74.393","0.001","576.52","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Dy2 F2 O17 -","- C18 H16 Dy2 F2 O17 -","- C18 H16 Dy2 F2 O17 -","1","0.5","","Cha, Yu-E; Li, Xia; Song, Shuang","Synthesis, structure and luminescence property of 2D lanthanide complexes with 3-fluorophthalate and oxalate","Journal of Solid State Chemistry","2012","196","","40","44","10.1016/j.jssc.2012.07.052","","","0.71073","MoKα","","0.0302","0.0289","","","0.0731","0.0764","","","","","","1.052","","","","has coordinates,has disorder","265481","2021-05-25","08:26:43",""
"1562845","10.545","0.002","11.2","0.002","7.8651","0.0016","90","","90","","90","","928.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H9 Cl N2 Ni O4 -","- C6 H6 Cl N2 Ni O4 -","- C24 H24 Cl4 N8 Ni4 O16 -","4","1","","Yang, Qian; Zhao, Jiong-Peng; Liu, Zhong-Yi","Single crystal to single crystal transition in (10, 3)-d framework with pyrazine-2-carboxylate ligand: Synthesis, structures and magnetism","Journal of Solid State Chemistry","2012","196","","52","57","10.1016/j.jssc.2012.07.050","","","0.71073","MoKα","","0.0595","0.0495","","","0.1144","0.1202","","","","","","1.053","","","","has coordinates","265482","2021-05-25","09:22:05",""
"1562846","10.63","0.002","11.543","0.002","7.1897","0.0016","90","","90","","90","","882.2","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H7 Cl N2 Ni O4 -","- C5 H7 Cl N2 Ni O4 -","- C20 H28 Cl4 N8 Ni4 O16 -","4","1","","Yang, Qian; Zhao, Jiong-Peng; Liu, Zhong-Yi","Single crystal to single crystal transition in (10, 3)-d framework with pyrazine-2-carboxylate ligand: Synthesis, structures and magnetism","Journal of Solid State Chemistry","2012","196","","52","57","10.1016/j.jssc.2012.07.050","","","0.71073","MoKα","","0.0649","0.0514","","","0.1037","0.1105","","","","","","1.025","","","","has coordinates","265482","2021-05-25","09:22:08",""
"1562847","5.1337","","5.1337","","8.2078","","90","","90","","120","","187.335","","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al0.9 Ni1.1 Sc -","- Al0.9 Ni1.1 Sc -","- Al3.6 Ni4.4 Sc4 -","4","0.166667","","Sahlberg, Martin; Ångström, Jonas; Zlotea, Claudia; Beran, Premysl; Latroche, Michel; Pay Gómez, Cesar","Structure and hydrogen storage properties of the hexagonal Laves phase Sc(Al1−xNix)2","Journal of Solid State Chemistry","2012","196","","132","137","10.1016/j.jssc.2012.06.002","","x-ray","0.71073","","","0.0131","0.0125","","","0.0476","0.0477","","","","1.86","1.86","1.83","","","","has coordinates","265483","2021-05-25","09:41:04",""
"1562848","5.1682","","5.1682","","8.2865","","90","","90","","120","","191.682","","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al0.686 D0.387 Ni1.314 Sc -","- Al0.687 D0.39 Ni1.313 Sc -","- Al2.748 D1.56 Ni5.252 Sc4 -","4","0.166667","","Sahlberg, Martin; Ångström, Jonas; Zlotea, Claudia; Beran, Premysl; Latroche, Michel; Pay Gómez, Cesar","Structure and hydrogen storage properties of the hexagonal Laves phase Sc(Al1−xNix)2","Journal of Solid State Chemistry","2012","196","","132","137","10.1016/j.jssc.2012.06.002","powder diffraction","neutron","1.45945","","","","","","","","","","","","","","","","","","has coordinates","265483","2021-05-25","09:41:05",""
"1562849","10.406","0.002","13.102","0.003","12.723","0.003","90","","90","","90","","1734.6","0.7","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C9 H10 N10 O3 Zn2 -","- C9 H5 N10 O3 Zn2 -","- C36 H20 N40 O12 Zn8 -","4","0.5","","Liu, Dong-Sheng; Sui, Yan; Chen, Weng-Tong; Huang, Jian-Gen; Chen, Jian-Zhong; Huang, Chang-Cang","Two new Zn(II) and Cd(II) coordinastion polymers based on amino-tetrazole and phenylcarboxylate: Syntheses, topological structures and photoluminescent properties","Journal of Solid State Chemistry","2012","196","","161","167","10.1016/j.jssc.2012.06.011","","","0.71073","MoKα","","0.0648","0.0631","","","0.1983","0.1998","","","","","","1.197","","","","has coordinates","265484","2021-05-25","09:46:38",""
"1562850","9.754","0.003","9.034","0.003","27.203","0.008","90","","95.978","0.004","90","","2384","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cd3 N15 O6 -","- C15 H12 Cd3 N15 O6 -","- C60 H48 Cd12 N60 O24 -","4","1","","Liu, Dong-Sheng; Sui, Yan; Chen, Weng-Tong; Huang, Jian-Gen; Chen, Jian-Zhong; Huang, Chang-Cang","Two new Zn(II) and Cd(II) coordinastion polymers based on amino-tetrazole and phenylcarboxylate: Syntheses, topological structures and photoluminescent properties","Journal of Solid State Chemistry","2012","196","","161","167","10.1016/j.jssc.2012.06.011","","","0.71073","MoKα","","0.1057","0.103","","","0.3209","0.3222","","","","","","1.099","","","","has coordinates","265484","2021-05-25","09:46:38",""
"1562859","8.6854","0.0003","11.9378","0.0005","13.6375","0.0006","104.455","0.004","97.817","0.003","98.652","0.003","1331.22","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Ag La2 N O17 -","- C24 H16 Ag La2 N O17 -","- C48 H32 Ag2 La4 N2 O34 -","2","1","","Li, Xinfa; Cao, Rong","Syntheses, structure and properties of three-dimensional pillared-layer Ag(I)‒Ln(III) heterometallic coordination polymers based on mixed isonicotinate and hemimellitate ligands","Journal of Solid State Chemistry","2012","196","","182","186","10.1016/j.jssc.2012.06.012","","","0.71073","MoKα","","0.0376","0.0293","","","0.0658","0.0705","","","","","","1.009","","","","has coordinates","265501","2021-05-26","07:25:07",""
"1562860","8.6146","0.0004","11.837","0.0006","13.6503","0.0008","104.402","0.005","97.987","0.004","98.806","0.004","1309.32","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Ag N O17 Pr2 -","- C24 H16 Ag N O17 Pr2 -","- C48 H32 Ag2 N2 O34 Pr4 -","2","1","","Li, Xinfa; Cao, Rong","Syntheses, structure and properties of three-dimensional pillared-layer Ag(I)‒Ln(III) heterometallic coordination polymers based on mixed isonicotinate and hemimellitate ligands","Journal of Solid State Chemistry","2012","196","","182","186","10.1016/j.jssc.2012.06.012","","","0.71073","MoKα","","0.0364","0.0296","","","0.0667","0.0708","","","","","","1.007","","","","has coordinates","265501","2021-05-26","07:25:08",""
"1562861","8.5858","0.0004","11.7937","0.0005","13.6676","0.0005","104.411","0.003","98.115","0.003","98.833","0.004","1301.04","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Ag N Nd2 O17 -","- C24 H16 Ag N Nd2 O17 -","- C48 H32 Ag2 N2 Nd4 O34 -","2","1","","Li, Xinfa; Cao, Rong","Syntheses, structure and properties of three-dimensional pillared-layer Ag(I)‒Ln(III) heterometallic coordination polymers based on mixed isonicotinate and hemimellitate ligands","Journal of Solid State Chemistry","2012","196","","182","186","10.1016/j.jssc.2012.06.012","","","0.71073","MoKα","","0.037","0.029","","","0.0714","0.0869","","","","","","1.001","","","","has coordinates","265501","2021-05-26","07:25:08",""
"1562862","14.7713","0.0015","14.7713","0.0015","14.7713","0.0015","90","","90","","90","","3223","0.6","298","0.5","298","0.5","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 La Ti2 -","- Al20 La Ti2 -","- Al160 La8 Ti16 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0284","0.0226","","","0.0403","0.0413","","","","","","1.066","","","","has coordinates","265502","2021-05-26","07:37:14",""
"1562863","14.71","0.002","14.71","0.002","14.71","0.002","90","","90","","90","","3183","0.7","298","0.5","298","0.5","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Ce Ti2 -","- Al20 Ce Ti2 -","- Al160 Ce8 Ti16 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0311","0.0285","","","0.0702","0.0707","","","","","","1.134","","","","has coordinates","265502","2021-05-26","07:37:26",""
"1562864","14.725","0.002","14.725","0.002","14.725","0.002","90","","90","","90","","3192.8","0.8","298","0.5","298","0.5","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Pr Ti2 -","- Al20 Pr Ti2 -","- Al160 Pr8 Ti16 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.026","0.0224","","","0.0444","0.0453","","","","","","1.102","","","","has coordinates","265502","2021-05-26","07:37:30",""
"1562865","14.705","0.003","14.705","0.003","14.705","0.003","90","","90","","90","","3179.8","1.1","298","0.5","298","0.5","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Sm Ti2 -","- Al20 Sm Ti2 -","- Al160 Sm8 Ti16 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0415","0.0278","","","0.0436","0.0469","","","","","","1.093","","","","has coordinates","265502","2021-05-26","07:37:40",""
"1562866","14.689","0.0018","14.689","0.0018","14.689","0.0018","90","","90","","90","","3169.4","0.7","298","0.5","298","0.5","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Ti2 Yb -","- Al20 Ti2 Yb -","- Al160 Ti16 Yb8 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.035","0.028","","","0.0623","0.067","","","","","","1.19","","","","has coordinates","265502","2021-05-26","07:37:43",""
"1562867","14.623","0.005","14.623","0.005","14.623","0.005","90","","90","","90","","3126.9","1.9","293","1","293","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 La V2 -","- Al20 La V2 -","- Al160 La8 V16 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0202","0.0174","","","0.0358","0.0368","","","","","","0.98","","","","has coordinates","265502","2021-05-26","07:37:53",""
"1562868","14.558","0.0018","14.558","0.0018","14.558","0.0018","90","","90","","90","","3085.4","0.7","298","0.5","298","0.5","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Ce V2 -","- Al20 Ce V2 -","- Al160 Ce8 V16 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0188","0.0174","","","0.035","0.0357","","","","","","1.173","","","","has coordinates","265502","2021-05-26","07:37:56",""
"1562869","14.567","0.003","14.567","0.003","14.567","0.003","90","","90","","90","","3091.1","1.1","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Pr0.89 V2 -","- Al20 Pr0.886 V2.002 -","- Al160 Pr7.088 V16.016 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0191","0.0164","","","0.0317","0.0328","","","","","","1.132","","","","has coordinates","265502","2021-05-26","07:37:56",""
"1562870","14.55","0.0018","14.55","0.0018","14.55","0.0018","90","","90","","90","","3080.3","0.7","298","0.8","298","0.5","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Sm V2 -","- Al20 Sm V2 -","- Al160 Sm8 V16 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0191","0.0175","","","0.0399","0.0409","","","","","","1.179","","","","has coordinates","265502","2021-05-26","07:37:59",""
"1562871","14.55","0.002","14.55","0.002","14.55","0.002","90","","90","","90","","3080.3","0.7","298","2","298","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Cr2 La -","- Al20 Cr2 La -","- Al160 Cr16 La8 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0197","0.0182","","","0.0376","0.038","","","","","","1.085","","","","has coordinates","265502","2021-05-26","07:38:03",""
"1562872","14.491","0.003","14.491","0.003","14.491","0.003","90","","90","","90","","3043","1.1","298","2","298","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Ce Cr2 -","- Al20 Ce Cr2 -","- Al160 Ce8 Cr16 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0182","0.0162","","","0.0302","0.0308","","","","","","1.137","","","","has coordinates","265502","2021-05-26","07:38:06",""
"1562873","14.512","0.003","14.512","0.003","14.512","0.003","90","","90","","90","","3056.2","1.1","298","2","298","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Cr2 Pr -","- Al20 Cr2 Pr -","- Al160 Cr16 Pr8 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0271","0.0242","","","0.0542","0.0556","","","","","","1.138","","","","has coordinates","265502","2021-05-26","07:38:06",""
"1562874","14.484","0.002","14.484","0.002","14.484","0.002","90","","90","","90","","3038.5","0.7","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Cr2 Sm -","- Al20 Cr2 Sm -","- Al160 Cr16 Sm8 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0194","0.0175","","","0.0331","0.0335","","","","","","1.07","","","","has coordinates","265502","2021-05-26","07:38:06",""
"1562875","14.473","0.013","14.473","0.013","14.473","0.013","90","","90","","90","","3032","5","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Cr2 Yb -","- Al20 Cr2 Yb -","- Al160 Cr16 Yb8 -","8","0.0416667","","Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.","Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type","Journal of Solid State Chemistry","2012","196","","274","281","10.1016/j.jssc.2012.06.035","","","0.71073","MoKα","","0.0366","0.0299","","","0.0501","0.0521","","","","","","1.363","","","","has coordinates","265502","2021-05-26","07:38:06",""
"1562876","10.26","0.002","12.28","0.003","13.63","0.003","64.06","0.03","89.36","0.03","87.26","0.03","1542.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H56 Cd2 N12 O16 -","- C66 H56 Cd2 N12 O16 -","- C66 H56 Cd2 N12 O16 -","1","0.5","","Fan, Rui-Qing; Wang, Li-Yuan; Wang, Ping; Chen, Hong; Sun, Cun-fa; Yang, Yu-Lin; Su, Qing","Syntheses, structures and luminescent properties of zero-/two-dimensional Cd(II) and Eu(III) complexes","Journal of Solid State Chemistry","2012","196","","332","340","10.1016/j.jssc.2012.06.018","","","0.71073","MoKα","","0.0894","0.0608","","","0.1639","0.1843","","","","","","1.014","","","","has coordinates","265503","2021-05-26","08:37:40",""
"1562877","17.477","0.0016","9.26","0.0008","20.7917","0.0019","90","","90","","90","","3364.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cd N4 O2 -","- C20 H12 Cd N4 O2 -","- C160 H96 Cd8 N32 O16 -","8","1","","Fan, Rui-Qing; Wang, Li-Yuan; Wang, Ping; Chen, Hong; Sun, Cun-fa; Yang, Yu-Lin; Su, Qing","Syntheses, structures and luminescent properties of zero-/two-dimensional Cd(II) and Eu(III) complexes","Journal of Solid State Chemistry","2012","196","","332","340","10.1016/j.jssc.2012.06.018","","","0.71073","MoKα","","0.0529","0.0376","","","0.0859","0.0933","","","","","","1.048","","","","has coordinates","265503","2021-05-26","08:37:42",""
"1562878","7.151","0.0014","26.747","0.005","11.612","0.004","90","","123.79","0.02","90","","1845.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Eu N4 O10 -","- C18 H13 Eu N4 O10 -","- C72 H52 Eu4 N16 O40 -","4","1","","Fan, Rui-Qing; Wang, Li-Yuan; Wang, Ping; Chen, Hong; Sun, Cun-fa; Yang, Yu-Lin; Su, Qing","Syntheses, structures and luminescent properties of zero-/two-dimensional Cd(II) and Eu(III) complexes","Journal of Solid State Chemistry","2012","196","","332","340","10.1016/j.jssc.2012.06.018","","","0.71073","MoKα","","0.0319","0.0272","","","0.0623","0.0639","","","","","","1.255","","","","has coordinates","265503","2021-05-26","08:37:42",""
"1562879","18.662","0.004","6.6","0.0016","12.573","0.003","90","","120.922","0.004","90","","1328.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","RIPS-4","ethylenediammonium indium phosphate","","- C2 H12 In3 N2 O14 P3 -","- C2 H13 In3 N2 O14 P3 -","- C8 H52 In12 N8 O56 P12 -","4","0.5","","Broach, Robert W.; Bedard, Robert L.; King, Lisa M.; Pluth, Joseph J.; Smith, Joseph V.; Kirchner, Richard M.","Crystal structure and chemistry of a complex indium phosphate framework material, (ethylenediammonium)In3P3O12(OH)2","Journal of Solid State Chemistry","2012","196","","341","348","10.1016/j.jssc.2012.06.007","","","0.7","synchrotron","","0.046","0.0437","","","0.1141","0.1154","","","","","","1.164","","","","has coordinates","265504","2021-05-26","08:42:19",""
"1562880","10.194","0.002","7.1491","0.0014","22.34","0.005","90","","90.56","0.03","90","","1628","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","","Yang, Juan; Hu, Rui-Xiang; Zhang, Man-Bo","Construction of monomers and chains assembled by 3d/4f metals and 4′-(4-carboxyphenyl)-2,2′:6′,2″-terpyridine","Journal of Solid State Chemistry","2012","196","","398","403","10.1016/j.jssc.2012.07.002","","","0.71073","MoKα","","0.0724","0.0492","","","0.116","0.1274","","","","","","1.036","","","","has coordinates","265505","2021-05-26","09:10:43",""
"1562881","8.744","0.0017","14.494","0.003","16.43","0.003","93.52","0.03","97.26","0.03","91.24","0.03","2060.8","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Co N6 O9 -","- C44 H34 Co N6 O9 -","- C88 H68 Co2 N12 O18 -","2","1","","Yang, Juan; Hu, Rui-Xiang; Zhang, Man-Bo","Construction of monomers and chains assembled by 3d/4f metals and 4′-(4-carboxyphenyl)-2,2′:6′,2″-terpyridine","Journal of Solid State Chemistry","2012","196","","398","403","10.1016/j.jssc.2012.07.002","","","0.71073","MoKα","","0.0699","0.0512","","","0.1363","0.1493","","","","","","0.955","","","","has coordinates,has disorder","265505","2021-05-26","09:10:54",""
"1562882","33.794","0.004","13.7643","0.0016","12.2604","0.0014","90","","109.208","0.001","90","","5385.5","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Er N9 O6 -","- C66 H42 Er N9 O6 -","- C264 H168 Er4 N36 O24 -","4","0.5","","Yang, Juan; Hu, Rui-Xiang; Zhang, Man-Bo","Construction of monomers and chains assembled by 3d/4f metals and 4′-(4-carboxyphenyl)-2,2′:6′,2″-terpyridine","Journal of Solid State Chemistry","2012","196","","398","403","10.1016/j.jssc.2012.07.002","","","0.71073","MoKα","","0.0351","0.0276","","","0.0576","0.0602","","","","","","1.03","","","","has coordinates","265505","2021-05-26","09:10:54",""
"1562883","33.812","0.007","13.872","0.003","12.253","0.003","90","","108.978","0.002","90","","5435","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Gd N9 O6 -","- C66 H42 Gd N9 O6 -","- C264 H168 Gd4 N36 O24 -","4","0.5","","Yang, Juan; Hu, Rui-Xiang; Zhang, Man-Bo","Construction of monomers and chains assembled by 3d/4f metals and 4′-(4-carboxyphenyl)-2,2′:6′,2″-terpyridine","Journal of Solid State Chemistry","2012","196","","398","403","10.1016/j.jssc.2012.07.002","","","0.71073","MoKα","","0.0211","0.0191","","","0.0501","0.0515","","","","","","1.003","","","","has coordinates","265505","2021-05-26","09:10:55",""
"1562884","33.8052","0.0006","13.9956","0.0002","12.1766","0.0002","90","","108.721","0.001","90","","5456.24","0.16","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 N9 Nd O6 -","- C66 H42 N9 Nd O6 -","- C264 H168 N36 Nd4 O24 -","4","0.5","","Yang, Juan; Hu, Rui-Xiang; Zhang, Man-Bo","Construction of monomers and chains assembled by 3d/4f metals and 4′-(4-carboxyphenyl)-2,2′:6′,2″-terpyridine","Journal of Solid State Chemistry","2012","196","","398","403","10.1016/j.jssc.2012.07.002","","","0.71073","MoKα","","0.0482","0.0364","","","0.0717","0.0763","","","","","","1.039","","","","has coordinates","265505","2021-05-26","09:10:55",""
"1562885","8.7035","0.0017","13.502","0.003","16.591","0.003","93.16","0.03","97.45","0.03","91.07","0.03","1929.6","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 N6 Ni O9 -","- C44 H34 N6 Ni O9 -","- C88 H68 N12 Ni2 O18 -","2","1","","Yang, Juan; Hu, Rui-Xiang; Zhang, Man-Bo","Construction of monomers and chains assembled by 3d/4f metals and 4′-(4-carboxyphenyl)-2,2′:6′,2″-terpyridine","Journal of Solid State Chemistry","2012","196","","398","403","10.1016/j.jssc.2012.07.002","","","0.71073","MoKα","","0.0707","0.0495","","","0.1211","0.1312","","","","","","1.082","","","","has coordinates,has disorder","265505","2021-05-26","09:10:55",""
"1562886","33.088","0.007","10.035","0.002","24.697","0.005","90","","119.12","0.03","90","","7164","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H29 N6 O4.5 Zn -","- C44 H29 N6 O4.5 Zn -","- C352 H232 N48 O36 Zn8 -","8","1","","Yang, Juan; Hu, Rui-Xiang; Zhang, Man-Bo","Construction of monomers and chains assembled by 3d/4f metals and 4′-(4-carboxyphenyl)-2,2′:6′,2″-terpyridine","Journal of Solid State Chemistry","2012","196","","398","403","10.1016/j.jssc.2012.07.002","","","0.71073","MoKα","","0.0609","0.0473","","","0.0994","0.1063","","","","","","1.069","","","","has coordinates","265505","2021-05-26","09:10:55",""
"1562897","8.572","0.0013","8.572","0.0013","8.572","0.0013","90","","90","","90","","629.86","0.17","295","2","295","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","dysprosium chromium gallium (4/1/12)","dysprosium chromium gallium (4/1/12)","","- Cr Dy4 Ga12 -","- Cr Dy4 Ga12 -","- Cr2 Dy8 Ga24 -","2","0.0208333","","Slater, Brianna R.; Bie, Haiying; Stoyko, Stanislav S.; Bauer, Eric D.; Thompson, Joe D.; Mar, Arthur","Rare-earth chromium gallides RE4CrGa12 (RE=Tb‒Tm)","Journal of Solid State Chemistry","2012","196","","409","415","10.1016/j.jssc.2012.07.009","","","0.71073","MoKα","","0.0284","0.0224","","","0.0613","0.0639","","","","","","1.228","","","","has coordinates","265537","2021-05-27","07:11:45",""
"1562898","7.012","0.003","17.069","0.008","6.273","0.003","90","","90","","90","","750.8","0.6","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ba3 Hg10 Zn -","- Ba3 Hg10.02 Zn0.98 -","- Ba6 Hg20.04 Zn1.96 -","2","0.25","","Schwarz, Michael; Wendorff, Marco; Röhr, Caroline","The new barium zinc mercurides Ba3ZnHg10 and BaZn0.6Hg3.4 ‒ Synthesis, crystal and electronic structure","Journal of Solid State Chemistry","2012","196","","416","424","10.1016/j.jssc.2012.06.047","","","0.7107","MoKα","","0.1574","0.0657","","","0.1353","0.1645","","","","","","0.863","","","","has coordinates","265538","2021-05-27","07:18:29",""
"1562899","20.255","0.0007","20.255","","20.255","","90","","90","","90","","8309.9","0.3","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- Ba Hg3.4 Zn0.6 -","- Ba Hg3.4015 Zn0.5985 -","- Ba64 Hg217.696 Zn38.304 -","64","1.33333","","Schwarz, Michael; Wendorff, Marco; Röhr, Caroline","The new barium zinc mercurides Ba3ZnHg10 and BaZn0.6Hg3.4 ‒ Synthesis, crystal and electronic structure","Journal of Solid State Chemistry","2012","196","","416","424","10.1016/j.jssc.2012.06.047","","","0.7107","MoKα","","0.089","0.044","","","0.0694","0.0777","","","","","","1.04","","","","has coordinates","265538","2021-05-27","07:18:30",""
"1562900","10.286","0.002","19.161","0.004","19.787","0.004","77.52","0.03","76.72","0.03","81.02","0.03","3682.5","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H44 Dy3 N7 O21 -","- C68 H44 Dy3 N7 O21 -","- C136 H88 Dy6 N14 O42 -","2","1","","Wang, Ping; Fan, Ruiqing; Yang, Yulin; Liu, Xinrong; Cao, Wenwu; Yang, Bin","Synthesis, crystal structures and properties of lanthanide-organic frameworks based benzene carboxylates with two/three-dimensional structure","Journal of Solid State Chemistry","2012","196","","441","450","10.1016/j.jssc.2012.07.018","","","0.71073","MoKα","","0.0503","0.0394","","","0.1039","0.1144","","","","","","1.091","","","","has coordinates","265540","2021-05-27","07:24:56",""
"1562901","10.5917","0.0002","14.2058","0.0003","17.124","0.0003","90","","97.928","0.002","90","","2551.91","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Dy2 O15 -","- C24 H18 Dy2 O15 -","- C96 H72 Dy8 O60 -","4","1","","Wang, Ping; Fan, Ruiqing; Yang, Yulin; Liu, Xinrong; Cao, Wenwu; Yang, Bin","Synthesis, crystal structures and properties of lanthanide-organic frameworks based benzene carboxylates with two/three-dimensional structure","Journal of Solid State Chemistry","2012","196","","441","450","10.1016/j.jssc.2012.07.018","","","0.71073","MoKα","","0.034","0.0292","","","0.0761","0.0774","","","","","","1.025","","","","has coordinates","265540","2021-05-27","07:24:57",""
"1562902","10.855","0.002","14.142","0.003","20.078","0.004","86.59","0.03","83.61","0.03","78.89","0.03","3003.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 N2 O32 Tb4 -","- C54 H50 N2 O32 Tb4 -","- C108 H100 N4 O64 Tb8 -","2","1","","Wang, Ping; Fan, Ruiqing; Yang, Yulin; Liu, Xinrong; Cao, Wenwu; Yang, Bin","Synthesis, crystal structures and properties of lanthanide-organic frameworks based benzene carboxylates with two/three-dimensional structure","Journal of Solid State Chemistry","2012","196","","441","450","10.1016/j.jssc.2012.07.018","","","0.71073","MoKα","","0.0329","0.0281","","","0.086","0.0974","","","","","","1.096","","","","has coordinates","265540","2021-05-27","07:24:57",""
"1562903","10.8221","0.0003","14.0737","0.0005","19.9657","0.0006","86.53","0.003","83.51","0.002","78.798","0.002","2961.54","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Ho4 N2 O32 -","- C54 H50 Ho4 N2 O32 -","- C108 H100 Ho8 N4 O64 -","2","1","","Wang, Ping; Fan, Ruiqing; Yang, Yulin; Liu, Xinrong; Cao, Wenwu; Yang, Bin","Synthesis, crystal structures and properties of lanthanide-organic frameworks based benzene carboxylates with two/three-dimensional structure","Journal of Solid State Chemistry","2012","196","","441","450","10.1016/j.jssc.2012.07.018","","","0.71073","MoKα","","0.0489","0.0404","","","0.1143","0.1227","","","","","","1.147","","","","has coordinates","265540","2021-05-27","07:24:57",""
"1562904","10.8221","0.0003","14.0737","0.0005","19.9657","0.0006","86.53","0.003","83.51","0.002","78.798","0.002","2961.54","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Er4 N2 O32 -","- C54 H50 Er4 N2 O32 -","- C108 H100 Er8 N4 O64 -","2","1","","Wang, Ping; Fan, Ruiqing; Yang, Yulin; Liu, Xinrong; Cao, Wenwu; Yang, Bin","Synthesis, crystal structures and properties of lanthanide-organic frameworks based benzene carboxylates with two/three-dimensional structure","Journal of Solid State Chemistry","2012","196","","441","450","10.1016/j.jssc.2012.07.018","","","0.71073","MoKα","","0.033","0.0246","","","0.0536","0.0548","","","","","","0.965","","","","has coordinates","265540","2021-05-27","07:24:57",""
"1562905","17.037","0.005","18.917","0.005","24.342","0.006","100.071","0.003","92.155","0.002","113.415","0.003","7038","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- H0 Mo29 N11 O123 Pr4.7 -","- Mo29 N11 O123 Pr4.7 -","- Mo58 N22 O246 Pr9.4 -","2","1","","Wu, Shuting; Deng, Binbin; Jiang, Xiuling; Li, Ronghua; Guo, Jiangbin; Lai, Fulong; Huang, Xihe; Huang, Changcang","Step-by-step assembly of 4d‒4f‒3d complex based on heptamolybdate anion","Journal of Solid State Chemistry","2012","196","","451","457","10.1016/j.jssc.2012.06.049","","","0.71073","MoKα","","0.0502","0.0465","","","0.1438","0.1479","","","","","","1.106","","","","has coordinates","265541","2021-05-27","07:32:27",""
"1562906","17.047","0.006","18.9","0.007","24.329","0.008","100.058","0.004","92.145","0.003","113.435","0.004","7032","4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- H0 Mo29 N11 Nd4.7 O123 -","- Mo29 N11 Nd4.7 O123 -","- Mo58 N22 Nd9.4 O246 -","2","1","","Wu, Shuting; Deng, Binbin; Jiang, Xiuling; Li, Ronghua; Guo, Jiangbin; Lai, Fulong; Huang, Xihe; Huang, Changcang","Step-by-step assembly of 4d‒4f‒3d complex based on heptamolybdate anion","Journal of Solid State Chemistry","2012","196","","451","457","10.1016/j.jssc.2012.06.049","","","0.71073","MoKα","","0.0427","0.0392","","","0.1078","0.1108","","","","","","1.035","","","","has coordinates","265541","2021-05-27","07:32:27",""
"1562907","18.784","0.004","24.07","0.005","30.711","0.006","83.25","0.03","78.64","0.03","79.33","0.03","13331","5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- Ce8 Mo58 N28 O232 -","- Ce8 Mo58 N28 O232 -","- Ce16 Mo116 N56 O464 -","2","1","","Wu, Shuting; Deng, Binbin; Jiang, Xiuling; Li, Ronghua; Guo, Jiangbin; Lai, Fulong; Huang, Xihe; Huang, Changcang","Step-by-step assembly of 4d‒4f‒3d complex based on heptamolybdate anion","Journal of Solid State Chemistry","2012","196","","451","457","10.1016/j.jssc.2012.06.049","","","0.71073","MoKα","","0.0995","0.0753","","","0.185","0.2008","","","","","","1.036","","","","has coordinates,has disorder","265541","2021-05-27","07:32:27",""
"1562908","18.808","0.004","24.019","0.005","30.775","0.006","83.17","0.03","79.32","0.03","78.7","0.03","13348","5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- Co H0 Mo58 N26 O232.33 Pr8 -","- Co Mo58 N26 O232.44 Pr8 -","- Co2 Mo116 N52 O464.88 Pr16 -","2","1","","Wu, Shuting; Deng, Binbin; Jiang, Xiuling; Li, Ronghua; Guo, Jiangbin; Lai, Fulong; Huang, Xihe; Huang, Changcang","Step-by-step assembly of 4d‒4f‒3d complex based on heptamolybdate anion","Journal of Solid State Chemistry","2012","196","","451","457","10.1016/j.jssc.2012.06.049","","","0.71073","MoKα","","0.1142","0.082","","","0.2024","0.2245","","","","","","1.039","","","","has coordinates","265541","2021-05-27","07:32:28",""
"1562909","7.0153","0.0019","7.4413","0.0015","9.3931","0.0019","72.974","0.002","74.261","0.002","79.498","0.002","448.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Caesium uranyl hydrogenphosphate nitrate","","- Cs N O9 P U -","- Cs N O9 P U -","- Cs2 N2 O18 P2 U2 -","2","1","","Wylie, Ernest M.; Dawes, Colleen M.; Burns, Peter C.","Synthesis, structure, and spectroscopic characterization of three uranyl phosphates with unique structural units","Journal of Solid State Chemistry","2012","196","","482","488","10.1016/j.jssc.2012.07.020","","","0.71073","MoKα","","0.0253","0.0235","","","0.0577","0.0586","","","","","","1.109","","","","has coordinates","265542","2021-05-27","07:39:22",""
"1562910","7.9856","0.0005","9.1596","0.001","9.2398","0.0006","101.289","0.001","114.642","0.001","99.203","0.002","579.87","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","Indium diuranyl tetraphosphate dihydrate","","- In3 O29 P4 U2 -","- In3 O29 P4 U2 -","- In3 O29 P4 U2 -","1","0.5","","Wylie, Ernest M.; Dawes, Colleen M.; Burns, Peter C.","Synthesis, structure, and spectroscopic characterization of three uranyl phosphates with unique structural units","Journal of Solid State Chemistry","2012","196","","482","488","10.1016/j.jssc.2012.07.020","","","0.71073","MoKα","","0.041","0.0334","","","0.0697","0.0748","","","","","","1.032","","","","has coordinates","265542","2021-05-27","07:39:23",""
"1562911","8.8817","0.0007","6.6109","0.0005","19.5693","0.0015","90","","90","","90","","1149.03","0.15","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","zinc uranyl diphosphate oxyhydrate","","- H6 O15 P2 U Zn4 -","- H6 O15 P2 U Zn4 -","- H24 O60 P8 U4 Zn16 -","4","0.5","","Wylie, Ernest M.; Dawes, Colleen M.; Burns, Peter C.","Synthesis, structure, and spectroscopic characterization of three uranyl phosphates with unique structural units","Journal of Solid State Chemistry","2012","196","","482","488","10.1016/j.jssc.2012.07.020","","","0.71073","MoKα","","0.0189","0.0166","","","0.0601","0.0622","","","","","","0.756","","","","has coordinates","265542","2021-05-27","07:39:23",""
"1562912","4.5244","0.0004","6.9932","0.0006","53.043","0.005","90","","90","","90","","1678.3","0.3","296","2","296","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge16 La11 Li12 -","- Ge16 La11 Li12 -","- Ge32 La22 Li24 -","2","0.125","","Jung, Yaho; Nam, Gnu; Jeon, Jieun; Kim, Youngjo; You, Tae-Soo","Crystal structure and chemical bonding of novel Li-containing polar intermetallic compound La11Li12Ge16","Journal of Solid State Chemistry","2012","196","","543","549","10.1016/j.jssc.2012.07.034","","","0.71073","MoKα","","0.0274","0.0217","","","0.0488","0.0507","","","","","","1.085","","","","has coordinates","265543","2021-05-27","07:45:13",""
"1562913","8.4438","0.0003","8.4438","0.0003","22.215","0.001","90","","90","","120","","1371.68","0.09","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- O74 P18 Ti12 V2 -","- O74.04 P18 Ti12 V2 -","- O74.04 P18 Ti12 V2 -","1","0.0833333","","Titlbach, Sven; Hoffbauer, Wilfried; Glaum, Robert","Equilibrium relations in the system TiO2/V2O5/P2O5 and crystal structure of a NASICON-related vanadyl(V) titanium(IV) phosphate","Journal of Solid State Chemistry","2012","196","","565","573","10.1016/j.jssc.2012.07.022","","","0.71073","MoKα","","0.0491","0.0324","","","","0.0842","","","","","","1.059","","","","has coordinates","265544","2021-05-27","07:50:05",""
"1562914","11.025","0.01","11.977","0.01","6.872","0.006","90","","90","","90","","907.4","1.4","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 K O9 Sr4 -","- B3 K O9 Sr4 -","- B12 K4 O36 Sr16 -","4","0.5","","Zhao, Wenwu; Pan, Shilie; Wang, Yongjiang; Yang, Zhihua; Wang, Xian; Han, Jian","Structure, growth and properties of a novel polar material, KSr4B3O9","Journal of Solid State Chemistry","2012","195","","73","78","10.1016/j.jssc.2012.01.008","","","0.71073","MoKα","","0.0356","0.0307","","","0.0563","0.0578","","","","","","1.019","","","","has coordinates","265545","2021-05-27","08:20:52",""
"1562915","7.9501","0.0003","7.9501","0.0003","19.8668","0.0015","90","","90","","120","","1087.44","0.1","200","0.2","200","0.2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H24 F6 N2 Ti -","- C8 H23.94 F6 N2 Ti -","- C24 H71.82 F18 N6 Ti3 -","3","0.166667","","Kim, Eun-ah; Lee, Dong Woo; Ok, Kang Min","Centrosymmetric [N(CH3)4]2TiF6 vs. noncentrosymmetric polar [C(NH2)3]2TiF6: A hydrogen-bonding effect on the out-of-center distortion of TiF6 octahedra","Journal of Solid State Chemistry","2012","195","","149","154","10.1016/j.jssc.2011.11.027","","","0.71073","MoKα","","0.06","0.0486","","","0.1324","0.1357","","","","","","1.303","","","","has coordinates","265546","2021-05-27","08:28:05",""
"1562916","8.8864","0.0018","12.764","0.003","5.0843","0.001","90","","90","","90","","576.7","0.2","293","2","293","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- Ba2 F5 O8 Si2 Y3 -","- Ba2 F5 O8 Si2 Y3 -","- Ba4 F10 O16 Si4 Y6 -","2","0.5","","McMillen, Colin D.; Emirdag-Eanes, Mehtap; Stritzinger, Jared T.; Kolis, Joseph W.","Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials","Journal of Solid State Chemistry","2012","195","","155","160","10.1016/j.jssc.2012.02.057","","","0.71073","MoKα","","0.0286","0.0273","","","0.0601","0.0606","","","","","","1.124","","","","has coordinates","265547","2021-05-27","08:33:38",""
"1562917","5.1576","0.001","6.8389","0.0014","11.786","0.002","93.02","0.03","102.05","0.03","111.55","0.03","374.3","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba F2 O7 Si2 Y2 -","- Ba F2 O7 Si2 Y2 -","- Ba2 F4 O14 Si4 Y4 -","2","1","","McMillen, Colin D.; Emirdag-Eanes, Mehtap; Stritzinger, Jared T.; Kolis, Joseph W.","Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials","Journal of Solid State Chemistry","2012","195","","155","160","10.1016/j.jssc.2012.02.057","","","0.71073","MoKα","","0.0374","0.0292","","","0.0542","0.0575","","","","","","1.101","","","","has coordinates","265547","2021-05-27","08:33:38",""
"1562918","17.651","0.004","4.8868","0.001","11.625","0.002","90","","131.13","0.03","90","","755.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F2 Li O8 Si2 Y3 -","- F2 Li O8 Si2 Y3 -","- F8 Li4 O32 Si8 Y12 -","4","0.5","","McMillen, Colin D.; Emirdag-Eanes, Mehtap; Stritzinger, Jared T.; Kolis, Joseph W.","Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials","Journal of Solid State Chemistry","2012","195","","155","160","10.1016/j.jssc.2012.02.057","","","0.71073","MoKα","","0.0446","0.0407","","","0.1067","0.1105","","","","","","1.121","","","","has coordinates","265547","2021-05-27","08:33:38",""
"1562919","9.5967","0.0011","9.5967","0.0011","8.671","0.002","90","","90","","120","","691.58","0.19","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Ge S6 -","- Ba Ga2.01 Ge0.99 S6 -","- Ba3 Ga6.03 Ge2.97 S18 -","3","0.333333","","Lin, Xinsong; Guo, Yifeng; Ye, Ning","BaGa2GeX6(X=S, Se): New mid-IR nonlinear optical crystals with large band gaps","Journal of Solid State Chemistry","2012","195","","172","177","10.1016/j.jssc.2012.01.043","","","0.71073","MoKα","","0.0264","0.0251","","","0.0529","0.0533","","","","","","1.039","","","","has coordinates","265548","2021-05-27","08:39:18",""
"1562920","10.0438","0.0013","10.0438","0.0013","9.114","0.002","90","","90","","120","","796.2","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Ge Se6 -","- Ba Ga2.01 Ge0.99 Se6 -","- Ba3 Ga6.03 Ge2.97 Se18 -","3","0.333333","","Lin, Xinsong; Guo, Yifeng; Ye, Ning","BaGa2GeX6(X=S, Se): New mid-IR nonlinear optical crystals with large band gaps","Journal of Solid State Chemistry","2012","195","","172","177","10.1016/j.jssc.2012.01.043","","","0.71073","MoKα","","0.0314","0.0295","","","0.0556","0.0566","","","","","","1.017","","","","has coordinates","265548","2021-05-27","08:39:19",""
"1562921","4.700422","0.000026","4.700422","","4.700422","","90","","90","","90","","103.851","0.0006","298","","298","","","","","","","","Syn","2","F m -3 m","-F 4 2 3","225","Zirconium carbide","","","- C Zr -","- C Zr -","- C4 Zr4 -","4","0.0208333","","Chinthaka Silva, G.W.; Kercher, Andrew A.; Hunn, John D.; Martin, Rodger C.; Jellison, Gerald E.; Meyer, Harry M.","Characterization of zirconium carbides using electron microscopy, optical anisotropy, Auger depth profiles, X-ray diffraction, and electron density calculated by charge flipping method","Journal of Solid State Chemistry","2012","194","","91","99","10.1016/j.jssc.2012.04.047","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.11935","","2.46","","","","","","","has coordinates","265549","2021-05-27","08:57:08",""
"1562922","4.6025","0.0003","4.6025","0.0003","10.8672","0.0006","90","","90","","90","","230.2","0.02","295","2","295","2","","","","","","","","3","I 4/m m m","-I 4 2","139","barium silver arsenide (1/2/2)","barium silver arsenide (1/2/2)","","- Ag2 As2 Ba -","- Ag2 As2 Ba -","- Ag4 As4 Ba2 -","2","0.0625","","Stoyko, Stanislav S.; Blanchard, Peter E.R.; Mar, Arthur","Crystal structure, electrical resistivity, and X-ray photoelectron spectroscopy of BaAg2As2","Journal of Solid State Chemistry","2012","194","","113","118","10.1016/j.jssc.2012.05.003","","","0.71073","MoKα","","0.0145","0.0145","","","0.0489","0.0489","","","","","","1.31","","","","has coordinates","265550","2021-05-27","09:01:25",""
"1562923","12.773","0.001","12.773","0.001","5.128","0.001","90","0.01","90","0.01","90","0.01","836.63","0.19","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.79 Gd Mn2.21 -","- Al9.792 Gd Mn2.208 -","- Al39.168 Gd4 Mn8.832 -","4","0.25","","Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types","Journal of Solid State Chemistry","2012","194","","143","150","10.1016/j.jssc.2012.05.002","","","0.71073","MoKα","","0.0367","0.0267","","","0.0683","0.0751","","","","","","1.07","","","","has coordinates","265551","2021-05-27","09:11:50",""
"1562924","8.878","0.0005","8.878","0.0005","5.119","0.0003","90","","90","","90","","403.47","0.04","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Al8.24 Gd Mn3.76 -","- Al8.244 Gd Mn3.756 -","- Al16.488 Gd2 Mn7.512 -","2","0.0625","","Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types","Journal of Solid State Chemistry","2012","194","","143","150","10.1016/j.jssc.2012.05.002","","","0.71073","MoKα","","0.016","0.0157","","","0.0351","0.0352","","","","","","1.196","","","","has coordinates","265551","2021-05-27","09:11:54",""
"1562925","12.7738","0.0015","12.7738","0.0015","5.1172","0.001","90","","90","","90","","835","0.2","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.9 Mn2.1 Yb -","- Al9.904 Mn2.096 Yb -","- Al39.616 Mn8.384 Yb4 -","4","0.25","","Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types","Journal of Solid State Chemistry","2012","194","","143","150","10.1016/j.jssc.2012.05.002","","","0.71073","MoKα","","0.0335","0.0245","","","0.0629","0.068","","","","","","1.097","","","","has coordinates","265551","2021-05-27","09:12:04",""
"1562926","12.761","0.002","12.761","0.002","5.117","0.001","90","","90","","90","","833.3","0.2","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.84 Mn2.16 Yb -","- Al9.828 Mn2.172 Yb -","- Al39.312 Mn8.688 Yb4 -","4","0.25","","Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types","Journal of Solid State Chemistry","2012","194","","143","150","10.1016/j.jssc.2012.05.002","","","0.71073","MoKα","","0.0529","0.0285","","","0.051","0.0563","","","","","","1.082","","","","has coordinates","265551","2021-05-27","09:12:06",""
"1562927","12.7483","0.0014","12.7483","0.0014","5.1164","0.0012","90","","90","","90","","831.5","0.2","294","2","294","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.73 Mn2.27 Yb -","- Al9.73 Mn2.27 Yb -","- Al38.92 Mn9.08 Yb4 -","4","0.25","","Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types","Journal of Solid State Chemistry","2012","194","","143","150","10.1016/j.jssc.2012.05.002","","","0.71073","MoKα","","0.0456","0.0262","","","0.0481","0.053","","","","","","1.061","","","","has coordinates","265551","2021-05-27","09:12:16",""
"1562928","8.976","0.0003","8.976","0.0003","5.111","0.0003","90","","90","","90","","411.79","0.03","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Al9.45 Mn2.55 Yb -","- Al9.452 Mn2.548 Yb -","- Al18.904 Mn5.096 Yb2 -","2","0.0625","","Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types","Journal of Solid State Chemistry","2012","194","","143","150","10.1016/j.jssc.2012.05.002","","","0.71073","MoKα","","0.0185","0.0174","","","0.0415","0.0419","","","","","","1.133","","","","has coordinates","265551","2021-05-27","09:12:25",""
"1562929","8.94","0.0009","8.94","0.0009","5.102","0.0009","90","","90","","90","","407.77","0.09","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Al9.1 Mn2.9 Yb -","- Al9.096 Mn2.904 Yb -","- Al18.192 Mn5.808 Yb2 -","2","0.0625","","Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types","Journal of Solid State Chemistry","2012","194","","143","150","10.1016/j.jssc.2012.05.002","","","0.71073","MoKα","","0.0481","0.0308","","","0.0337","0.036","","","","","","1.066","","","","has coordinates","265551","2021-05-27","09:12:29",""
"1562930","12.776","0.004","12.776","0.004","5.1168","0.001","90","","90","","90","","835.2","0.4","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Al10 Mn2 Yb -","- Al10 Mn2 Yb -","- Al40 Mn8 Yb4 -","4","0.25","","Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types","Journal of Solid State Chemistry","2012","194","","143","150","10.1016/j.jssc.2012.05.002","","","0.71073","MoKα","","0.0371","0.0298","","","0.0758","0.08","","","","","","1.049","","","","has coordinates","265551","2021-05-27","09:12:40",""
"1562931","10.9014","0.0003","10.9014","0.0003","23.7225","0.0007","90","","90","","120","","2441.49","0.12","80","2","80","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","aluminum boride","aluminum boride","","- Al7 B313.4 -","- Al6.996 B313.416 -","- Al6.996 B313.416 -","1","0.0277778","","Bykova, Elena; Parakhonskiy, Gleb; Dubrovinskaia, Natalia; Chernyshov, Dmitry; Dubrovinsky, Leonid","The crystal structure of aluminum doped β-rhombohedral boron","Journal of Solid State Chemistry","2012","194","","188","193","10.1016/j.jssc.2012.05.011","","x-ray","0.6953","synchrotron","","0.0509","0.0378","","","0.1021","0.1099","","","","","","1.081","","","","has coordinates","265553","2021-05-27","09:18:31",""
"1562932","6.56031","0.00006","15.6319","0.00013","10.05044","0.00008","90","","90","","90","","1030.67","0.015","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Dy2 O12 Si3 -","- Ca2.999 Dy2.001 O12 Si3 -","- Ca11.996 Dy8.004 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826005","synchrotron","","","","","","","","0.09727","","1.4","","","","","","","has coordinates","265554","2021-05-27","09:41:49",""
"1562933","6.55298","0.00005","15.57773","0.00013","10.0263","0.00008","90","","90","","90","","1023.49","0.014","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Er2 O12 Si3 -","- Ca3 Er2 O12 Si3 -","- Ca12 Er8 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826005","synchrotron","","","","","","","","0.08578","","1.12","","","","","","","has coordinates","265554","2021-05-27","09:41:53",""
"1562934","6.59399","0.00006","15.75071","0.00013","10.09708","0.00009","90","","90","","90","","1048.68","0.016","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Eu2 O12 Si3 -","- Ca3 Eu2 O12 Si3 -","- Ca12 Eu8 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826132","synchrotron","","","","","","","","0.11586","","1.02","","","","","","","has coordinates","265554","2021-05-27","09:42:03",""
"1562935","6.57911","0.00004","15.72045","0.0001","10.07985","0.00007","90","","90","","90","","1042.52","0.012","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Gd2 O12 Si3 -","- Ca3 Gd2 O12 Si3 -","- Ca12 Gd8 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826132","synchrotron","","","","","","","","0.07403","","1.02","","","","","","","has coordinates","265554","2021-05-27","09:42:06",""
"1562936","6.54037","0.00006","15.49164","0.00015","9.99034","0.0001","90","","90","","90","","1012.23","0.017","","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca3 Lu2 O12 Si3 -","- Ca3 Lu2 O12 Si3 -","- Ca12 Lu8 O48 Si12 -","4","0.5","","Piccinelli, F.; Lausi, A.; Speghini, A.; Bettinelli, M.","Crystal structure study of new lanthanide silicates with silico-carnotite structure","Journal of Solid State Chemistry","2012","194","","233","237","10.1016/j.jssc.2012.05.012","powder diffraction","x-ray","0.826005","synchrotron","","","","","","","","0.09981","","1.2","","","","","","","has coordinates","265554","2021-05-27","09:42:16",""
"1562937","5.61685","0.00016","5.68375","0.00015","7.9597","0.0002","90","","89.997","0.002","90","","254.112","0.012","2","","2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cobalt Lanthanum Antimony Oxide (0.67/1/0.33/3)","","","- Co0.6666 La0.9999 O2.9997 Sb0.3333 -","- Co0.66667 La O3 Sb0.33333 -","- Co2.66668 La4 O12 Sb1.33332 -","4","1","","Franco, D.G.; Fuertes, V.C.; Blanco, M.C.; Fernández-Díaz, M.T.; Sánchez, R.D.; Carbonio, R.E.","Synthesis, structure and magnetic properties of La3Co2SbO9: A double perovskite with competing antiferromagnetic and ferromagnetic interactions","Journal of Solid State Chemistry","2012","194","","385","391","10.1016/j.jssc.2012.05.045","powder diffraction","","1.6","ConstantWavelengthNeutronDiffraction","","","","","","","","","5.0662","","","","","","","","has coordinates","265555","2021-05-27","09:57:09",""
"1562938","5.6196","0.00015","5.68299","0.00014","7.965","0.0002","90","","90.003","0.003","90","","254.371","0.011","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cobalt Lanthanum Antimony Oxide (0.67/1/0.33/3)","","","- Co0.6666 La0.9999 O2.9997 Sb0.3333 -","- Co0.66667 La O3 Sb0.33333 -","- Co2.66668 La4 O12 Sb1.33332 -","4","1","","Franco, D.G.; Fuertes, V.C.; Blanco, M.C.; Fernández-Díaz, M.T.; Sánchez, R.D.; Carbonio, R.E.","Synthesis, structure and magnetic properties of La3Co2SbO9: A double perovskite with competing antiferromagnetic and ferromagnetic interactions","Journal of Solid State Chemistry","2012","194","","385","391","10.1016/j.jssc.2012.05.045","powder diffraction","","1.6","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.4","","","","","","","","has coordinates","265555","2021-05-27","09:57:13",""
"1562939","5.60457","0.00016","5.66639","0.00015","7.9448","0.0002","90","","89.995","0.003","90","","252.308","0.012","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cobalt Lanthanum Antimony Oxide(0.67/1/0.33/3)","","","- Co0.6666 La0.9999 O2.9997 Sb0.3333 -","- Co0.66667 La O3 Sb0.33333 -","- Co2.66668 La4 O12 Sb1.33332 -","4","1","","Franco, D.G.; Fuertes, V.C.; Blanco, M.C.; Fernández-Díaz, M.T.; Sánchez, R.D.; Carbonio, R.E.","Synthesis, structure and magnetic properties of La3Co2SbO9: A double perovskite with competing antiferromagnetic and ferromagnetic interactions","Journal of Solid State Chemistry","2012","194","","385","391","10.1016/j.jssc.2012.05.045","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.8591","","","","","","","","has coordinates","265555","2021-05-27","09:57:22",""
"1562944","7.4312","0.0001","7.4312","0.0001","6.2023","0.0001","90","","90","","120","","296.621","0.007","100","2","100","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Cesium Nickel Bromide","","","- Br3 Cs Ni -","- Br3 Cs Ni -","- Br6 Cs2 Ni2 -","2","0.0833333","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I)","Journal of Solid State Chemistry","2012","192","","34","37","10.1016/j.jssc.2012.03.037","","","0.71073","MoKα","","0.0167","0.0167","","","0.0435","0.0435","","","","","","1.901","","","","has coordinates","265577","2021-05-28","08:34:19",""
"1562945","7.1185","0.0002","7.1185","0.0002","5.9085","0.0001","90","","90","","120","","259.289","0.011","100","2","100","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Cesium Nickel Chloride","","","- Cl3 Cs Ni -","- Cl3 Cs Ni -","- Cl6 Cs2 Ni2 -","2","0.0833333","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I)","Journal of Solid State Chemistry","2012","192","","34","37","10.1016/j.jssc.2012.03.037","","","0.71073","MoKα","","0.0111","0.0104","","","0.0266","0.0267","","","","","","1.681","","","","has coordinates","265577","2021-05-28","08:34:23",""
"1562946","7.9469","0.0002","7.9469","0.0002","6.6575","0.0002","90","","90","","120","","364.114","0.017","100","2","100","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Cesium nickel iodide","","","- Cs I3 Ni -","- Cs I3 Ni -","- Cs2 I6 Ni2 -","2","0.0833333","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I)","Journal of Solid State Chemistry","2012","192","","34","37","10.1016/j.jssc.2012.03.037","","","0.71073","MoKα","","0.0106","0.0105","","","0.0358","0.0358","","","","","","3.116","","","","has coordinates","265577","2021-05-28","08:34:27",""
"1562947","5.2273","0.0004","5.1504","0.0003","26.598","0.002","90","","93.165","0.008","90","","715","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H4 Li4 O14 Rb2 Se3 -","- H8 Li4 O14 Rb2 Se3 -","- H16 Li8 O28 Rb4 Se6 -","2","0.5","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Local structure of Rb2Li4(SeO4)3·2H2O by the modeling of X-ray diffuse scattering — from average-structure to microdomain model","Journal of Solid State Chemistry","2012","192","","54","59","10.1016/j.jssc.2012.03.050","","","0.71073","MoKα","","0.0403","0.0352","","","0.0715","0.0732","","","","","","1.158","","","","has coordinates","265578","2021-05-28","09:19:17",""
"1562948","5.2625","0.0011","5.182","0.001","26.762","0.005","90","","93.18","0.03","90","","728.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H4 Li4 O14 Rb2 Se3 -","- H4 Li4 O14 Rb2 Se3 -","- H8 Li8 O28 Rb4 Se6 -","2","0.5","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Local structure of Rb2Li4(SeO4)3·2H2O by the modeling of X-ray diffuse scattering — from average-structure to microdomain model","Journal of Solid State Chemistry","2012","192","","54","59","10.1016/j.jssc.2012.03.050","","","0.71073","MoKα","","0.0696","0.0536","","","0.0894","0.0934","","","","","","1.108","","","","has coordinates","265578","2021-05-28","09:19:17",""
"1562949","15.3325","0.0003","15.3325","0.0003","26.7223","0.0006","90","","90","","90","","6282","0.2","99","2","99","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Tricaesium octadecauranium octatricontaselenide","","- Cs1.5 Se19 U9 -","- Cs1.5 Se19 U9 -","- Cs12 Se152 U72 -","8","0.25","","Oh, George N.; Ibers, James A.","Synthesis, structure, and electrical resistivity of Cs3U18Se38","Journal of Solid State Chemistry","2012","192","","81","86","10.1016/j.jssc.2012.02.035","","","0.71073","MoKα","","0.0245","0.0197","","","0.0405","0.0415","","","","","","1.204","","","","has coordinates","265579","2021-05-28","09:23:18",""
"1562950","5.2931","0.0009","13.209","0.002","13.346","0.002","90","","95.26","0.003","90","","929.2","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetra(aqua)(fumarato)cobalt(II) monohydrate","","- C4 H12 Co O9 -","- C4 H12 Co O9 -","- C16 H48 Co4 O36 -","4","0.5","","Bora, Sanchay J.; Das, Birinchi K.","Synthesis and properties of a few 1-D cobaltous fumarates","Journal of Solid State Chemistry","2012","192","","93","101","10.1016/j.jssc.2012.03.009","","","0.71073","MoKα","","0.0274","0.027","","","0.0749","0.0752","","","","","","1.074","","","","has coordinates","265580","2021-05-28","09:28:05",""
"1562951","11.9058","0.0007","8.9589","0.0006","15.019","0.0009","90","","90","","90","","1601.97","0.17","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di(aqua)bis(pyridine)(fumarato)cobalt(II)","","- C14 H16 Co N2 O6 -","- C14 H16 Co N2 O6 -","- C56 H64 Co4 N8 O24 -","4","0.5","","Bora, Sanchay J.; Das, Birinchi K.","Synthesis and properties of a few 1-D cobaltous fumarates","Journal of Solid State Chemistry","2012","192","","93","101","10.1016/j.jssc.2012.03.009","","","0.71073","MoKα","","0.0318","0.0276","","","0.0739","0.0768","","","","","","1.104","","","","has coordinates","265580","2021-05-28","09:28:06",""
"1562952","8.9107","0.0002","11.5087","0.0002","8.8982","0.0002","90","","106.593","0.001","90","","874.52","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di(aqua)bis(4-cyanopyridine)(fumarato)cobalt(II)","","- C16 H14 Co N4 O6 -","- C16 H14 Co N4 O6 -","- C32 H28 Co2 N8 O12 -","2","0.5","","Bora, Sanchay J.; Das, Birinchi K.","Synthesis and properties of a few 1-D cobaltous fumarates","Journal of Solid State Chemistry","2012","192","","93","101","10.1016/j.jssc.2012.03.009","","","0.71073","MoKα","","0.0239","0.0217","","","0.0585","0.06","","","","","","1.085","","","","has coordinates","265580","2021-05-28","09:28:06",""
"1562953","8.62","0.001","14.9947","0.0017","3.2337","0.0004","90","","90","","90","","417.97","0.09","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B3 Ir1.94 Rh2.38 Ti1.68 -","- B3 Ir1.946 Rh2.377 Ti1.677 -","- B12 Ir7.784 Rh9.508 Ti6.708 -","4","0.5","","Goerens, Christian; Fokwa, Boniface P.T.","The complex metal-rich boride Ti1+xRh2−x+yIr3−yB3 (x=0.68, y=1.06) with a new structure type containing B4 zigzag fragments: Synthesis, crystal chemistry and theoretical calculations","Journal of Solid State Chemistry","2012","192","","113","119","10.1016/j.jssc.2012.04.005","","","0.71073","MoKα","","0.0577","0.0479","","","0.09","0.0931","","","","","","1.158","","","","has coordinates","265581","2021-05-28","09:32:59",""
"1562954","9.1793","0.0018","4.5014","0.0009","17.849","0.004","90","","90","","90","","737.5","0.3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Ba4 In Se6 -","- Ag Ba4 In Se6 -","- Ag2 Ba8 In2 Se12 -","2","0.25","","Yin, Wenlong; Feng, Kai; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Syntheses, structures, and optical properties of Ba4MInSe6 (M=Cu, Ag)","Journal of Solid State Chemistry","2012","192","","168","171","10.1016/j.jssc.2012.03.068","","","0.71073","MoKα","","0.0406","0.0303","","","0.0542","0.0578","","","","","","1.028","","","","has coordinates","265582","2021-05-28","09:39:15",""
"1562955","9.1181","0.0018","4.472","0.0009","17.681","0.003","90","","90","","90","","721","0.2","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba4 Cu In Se6 -","- Ba4 Cu In Se6 -","- Ba8 Cu2 In2 Se12 -","2","0.25","","Yin, Wenlong; Feng, Kai; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Syntheses, structures, and optical properties of Ba4MInSe6 (M=Cu, Ag)","Journal of Solid State Chemistry","2012","192","","168","171","10.1016/j.jssc.2012.03.068","","","0.71073","MoKα","","0.0506","0.0408","","","0.0858","0.09","","","","","","1.122","","","","has coordinates","265582","2021-05-28","09:39:18",""
"1562956","11.688","0.006","16.565","0.009","24.196","0.013","70.949","0.017","78.46","0.02","72.725","0.019","4201","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H82 Ca4 N2 O51 S8 -","- C66 H40 Ca4 N2 O51 S8 -","- C132 H80 Ca8 N4 O102 S16 -","2","1","","Xiong, Kecai; Jiang, Feilong; Wu, Mingyan; Gai, Yanli; Chen, Qihui; Zhang, Shuquan; Ma, Jie; Han, Dong; Hong, Maochun","Two novel chains based on capsules supported by water-soluble calixarenes and metal complexes","Journal of Solid State Chemistry","2012","192","","215","220","10.1016/j.jssc.2012.04.021","","","0.71073","MoKα","","0.0883","0.0725","","","0.1931","0.2138","","","","","","1.058","","","","has coordinates,has disorder","265583","2021-05-28","09:47:00",""
"1562957","14.1785","0.001","14.3084","0.0012","14.751","0.0012","104.088","0.002","98.284","0.003","94.186","0.004","2854","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 Cu3 N2 O37 S8 -","- C34 H17 Cu3 N2 O37 S8 -","- C68 H34 Cu6 N4 O74 S16 -","2","1","","Xiong, Kecai; Jiang, Feilong; Wu, Mingyan; Gai, Yanli; Chen, Qihui; Zhang, Shuquan; Ma, Jie; Han, Dong; Hong, Maochun","Two novel chains based on capsules supported by water-soluble calixarenes and metal complexes","Journal of Solid State Chemistry","2012","192","","215","220","10.1016/j.jssc.2012.04.021","","","0.71073","MoKα","","0.09","0.0704","","","0.1898","0.2096","","","","","","1.055","","","","has coordinates","265583","2021-05-28","09:47:04",""
"1562958","14.509","0.004","6.944","0.002","14.894","0.004","90","","116.283","0.003","90","","1345.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 La N O11 S -","- C6 H8 La N O11 S -","- C24 H32 La4 N4 O44 S4 -","4","1","","Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo","N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies","Journal of Solid State Chemistry","2012","192","","284","288","10.1016/j.jssc.2012.04.031","","","0.71073","MoKα","","0.0215","0.0203","","","0.0538","0.0544","","","","","","1.118","","","","has coordinates","265584","2021-05-28","09:55:20",""
"1562959","11.5754","0.0002","16.1852","0.0003","8.6096","0.0002","90","","90","","90","","1613.01","0.06","298","2","298","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C6 H20 N O13 Pr S -","- C6 H8 N O13 Pr S -","- C24 H32 N4 O52 Pr4 S4 -","4","1","","Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo","N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies","Journal of Solid State Chemistry","2012","192","","284","288","10.1016/j.jssc.2012.04.031","","","0.71073","MoKα","","0.0299","0.0249","","","0.0615","0.0651","","","","","","1.035","","","","has coordinates","265584","2021-05-28","09:55:24",""
"1562960","11.5413","0.0004","16.1248","0.0005","8.5949","0.0003","90","","90","","90","","1599.52","0.09","298","2","298","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C6 H20 N Nd O13 S -","- C6 H8 N Nd O13 S -","- C24 H32 N4 Nd4 O52 S4 -","4","1","","Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo","N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies","Journal of Solid State Chemistry","2012","192","","284","288","10.1016/j.jssc.2012.04.031","","","0.71073","MoKα","","0.0338","0.0296","","","0.0748","0.0784","","","","","","1.109","","","","has coordinates","265584","2021-05-28","09:55:24",""
"1562961","6.2592","0.0002","15.715","0.0003","6.5644","0.0002","90","","105.862","0.002","90","","621.11","0.03","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H14 Gd N O10 S -","- C6 H8 Gd N O10 S -","- C12 H16 Gd2 N2 O20 S2 -","2","1","","Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo","N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies","Journal of Solid State Chemistry","2012","192","","284","288","10.1016/j.jssc.2012.04.031","","","0.71073","MoKα","","0.0218","0.0216","","","0.0534","0.0535","","","","","","1.064","","","","has coordinates","265584","2021-05-28","09:55:24",""
"1562968","4.5555","0.0006","4.5555","0.0006","24.041","0.003","90","","90","","120","","432.07","0.1","295","2","295","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","strontium silver arsenide (1/4/2)","strontium silver arsenide (1/4/2)","","- Ag4 As2 Sr -","- Ag3.992 As2 Sr -","- Ag11.976 As6 Sr3 -","3","0.0833333","","Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C.; Mar, Arthur","Ternary CaCu4P2-type pnictides AAg4Pn2 (A=Sr, Eu; Pn=As, Sb)","Journal of Solid State Chemistry","2012","192","","325","330","10.1016/j.jssc.2012.04.042","","","0.71073","MoKα","","0.0226","0.0223","","","0.0459","0.046","","","","","","1.199","","","","has coordinates","265620","2021-05-31","06:53:41",""
"1562969","4.5352","0.0002","4.5352","0.0002","23.7221","0.0011","90","","90","","120","","422.55","0.03","295","2","295","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","europium silver arsenide (1/4/2)","europium silver arsenide (1/4/2)","","- Ag4 As2 Eu -","- Ag3.996 As2 Eu -","- Ag11.988 As6 Eu3 -","3","0.0833333","","Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C.; Mar, Arthur","Ternary CaCu4P2-type pnictides AAg4Pn2 (A=Sr, Eu; Pn=As, Sb)","Journal of Solid State Chemistry","2012","192","","325","330","10.1016/j.jssc.2012.04.042","","","0.71073","MoKα","","0.0248","0.0248","","","0.0669","0.067","","","","","","1.26","","","","has coordinates","265620","2021-05-31","06:53:42",""
"1562970","4.7404","0.0004","4.7404","0.0004","25.029","0.002","90","","90","","120","","487.08","0.07","295","2","295","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","strontium silver antimonide (1/4/2)","strontium silver antimonide (1/4/2)","","- Ag4 Sb2 Sr -","- Ag4 Sb2 Sr -","- Ag12 Sb6 Sr3 -","3","0.0833333","","Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C.; Mar, Arthur","Ternary CaCu4P2-type pnictides AAg4Pn2 (A=Sr, Eu; Pn=As, Sb)","Journal of Solid State Chemistry","2012","192","","325","330","10.1016/j.jssc.2012.04.042","","","0.71073","MoKα","","0.0152","0.0147","","","0.0365","0.0367","","","","","","1.14","","","","has coordinates","265620","2021-05-31","06:53:42",""
"1562971","4.7239","0.0003","4.7239","0.0003","24.689","0.0017","90","","90","","120","","477.13","0.05","295","2","295","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","europium silver antimonide (1/4/2)","europium silver antimonide (1/4/2)","","- Ag4 Eu Sb2 -","- Ag4 Eu Sb2 -","- Ag12 Eu3 Sb6 -","3","0.0833333","","Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C.; Mar, Arthur","Ternary CaCu4P2-type pnictides AAg4Pn2 (A=Sr, Eu; Pn=As, Sb)","Journal of Solid State Chemistry","2012","192","","325","330","10.1016/j.jssc.2012.04.042","","","0.71073","MoKα","","0.013","0.0123","","","0.0297","0.03","","","","","","1.125","","","","has coordinates","265620","2021-05-31","06:53:42",""
"1562972","8.4184","0.0005","8.4184","0.0005","8.4184","0.0005","90","","90","","90","","596.61","0.06","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- K2 Na O6 Os -","- K2 Na O5.52 Os -","- K8 Na4 O22.08 Os4 -","4","0.0208333","","Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin","K2NaOsO5.5 and K3NaOs2O9: The first osmium perovskites containing alkali cations at the “A” site","Journal of Solid State Chemistry","2012","191","","153","157","10.1016/j.jssc.2012.03.012","","","0.71073","MoKα","","0.014","0.014","","","0.04","0.04","","","","","","1.417","","","","has coordinates,has Fobs","265621","2021-05-31","07:15:23",""
"1562973","5.9998","0.0004","5.9998","0.0004","14.3053","0.0014","90","","90","","120","","445.97","0.06","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K3 Na O9 Os2 -","- K3 Na O9 Os2 -","- K6 Na2 O18 Os4 -","2","0.0833333","","Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin","K2NaOsO5.5 and K3NaOs2O9: The first osmium perovskites containing alkali cations at the “A” site","Journal of Solid State Chemistry","2012","191","","153","157","10.1016/j.jssc.2012.03.012","","","0.71073","MoKα","","0.0304","0.0285","","","0.0536","0.0542","","","","","","1.357","","","","has coordinates,has Fobs","265622","2021-05-31","07:16:50",""
"1562974","9.6853","0.0007","14.98","0.0011","15.3184","0.0011","89.702","0.001","79.538","0.001","77.533","0.001","2132.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cr5 Li5 O47 U4 -","- Cr5 Li5 O47 U4 -","- Cr10 Li10 O94 U8 -","2","1","","Unruh, Daniel K.; Quicksall, Andrew; Pressprich, Laura; Stoffer, Megan; Qiu, Jie; Nuzhdin, Kirill; Wu, Weiqiang; Vyushkova, Mariya; Burns, Peter C.","Synthesis, characterization, and crystal structures of uranyl compounds containing mixed chromium oxidation states","Journal of Solid State Chemistry","2012","191","","162","166","10.1016/j.jssc.2012.03.006","","","0.71073","MoKα","","0.0475","0.0351","","","0.0823","0.0876","","","","","","1.021","","","","has coordinates","265623","2021-05-31","07:26:04",""
"1562975","10.1494","0.0009","14.2857","0.0012","16.4783","0.0014","87.224","0.001","84.037","0.001","69.936","0.001","2231.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cr10 Mg5 O100 U8 -","- Cr10 Mg5 O100 U8 -","- Cr10 Mg5 O100 U8 -","1","0.5","","Unruh, Daniel K.; Quicksall, Andrew; Pressprich, Laura; Stoffer, Megan; Qiu, Jie; Nuzhdin, Kirill; Wu, Weiqiang; Vyushkova, Mariya; Burns, Peter C.","Synthesis, characterization, and crystal structures of uranyl compounds containing mixed chromium oxidation states","Journal of Solid State Chemistry","2012","191","","162","166","10.1016/j.jssc.2012.03.006","","","0.71073","MoKα","","0.0663","0.0424","","","0.0956","0.1059","","","","","","1.033","","","","has coordinates","265623","2021-05-31","07:26:05",""
"1562976","9.681","0.002","14.985","0.003","15.326","0.003","89.694","0.003","79.544","0.003","77.587","0.003","2134","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cr5 N5 O40 U4 -","- Cr5 N5 O40 U4 -","- Cr10 N10 O80 U8 -","2","1","","Unruh, Daniel K.; Quicksall, Andrew; Pressprich, Laura; Stoffer, Megan; Qiu, Jie; Nuzhdin, Kirill; Wu, Weiqiang; Vyushkova, Mariya; Burns, Peter C.","Synthesis, characterization, and crystal structures of uranyl compounds containing mixed chromium oxidation states","Journal of Solid State Chemistry","2012","191","","162","166","10.1016/j.jssc.2012.03.006","","","0.71073","MoKα","","0.0794","0.0516","","","0.1224","0.1363","","","","","","1.041","","","","has coordinates","265623","2021-05-31","07:26:05",""
"1562977","3.02605","0.00003","10.0579","0.00009","7.40138","0.00006","90","","90","","90","","225.266","0.004","","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F3 Na Ni -","- F3 Na Ni -","- F12 Na4 Ni4 -","4","0.25","","Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.","High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF3","Journal of Solid State Chemistry","2012","191","","167","174","10.1016/j.jssc.2012.03.004","powder diffraction","","0.51973","synchrotron","","0.01736","","","","","","0.01736","0.02422","1.08","","","","","","","has coordinates","265624","2021-05-31","07:36:19",""
"1562978","4.6391","0.0005","4.6391","0.0005","4.6391","0.0005","90","","90","","90","","99.839","0.019","300","","300","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.","High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF3","Journal of Solid State Chemistry","2012","191","","167","174","10.1016/j.jssc.2012.03.004","powder diffraction","","0.51973","synchrotron","","0.01158","","","","","","0.01112","0.01908","1.08","","","","","","","has coordinates","265624","2021-05-31","07:36:24",""
"1562979","5.53607","0.00004","7.7056","0.00006","5.36741","0.00004","90","","90","","90","","228.967","0.003","","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F3 Na Ni -","- F3 Na Ni -","- F12 Na4 Ni4 -","4","0.5","","Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.","High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF3","Journal of Solid State Chemistry","2012","191","","167","174","10.1016/j.jssc.2012.03.004","powder diffraction","","0.51973","synchrotron","","0.01688","","","","","","0.01688","0.02768","0.5353","","","","","","","has coordinates","265624","2021-05-31","07:36:27",""
"1562980","8.0042","0.0005","15.8757","0.001","10.9146","0.0007","90","","110.452","0.004","90","","1299.52","0.15","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H23 N2 O9.5 Zn2 -","- C24 H23 N2 O9.5 Zn2 -","- C48 H46 N4 O19 Zn4 -","2","0.5","","Jiang, Xian-Rong; Yuan, Hong-Yan; Feng, Yun-Long","Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties","Journal of Solid State Chemistry","2012","191","","181","190","10.1016/j.jssc.2012.03.002","","","0.71073","MoKα","","","0.0347","","","0.1171","0.1256","","","","","","0.986","","","","has coordinates","265625","2021-05-31","07:45:00",""
"1562981","12.63","0.002","9.7446","0.0016","22.836","0.003","90","","109.888","0.009","90","","2642.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Cd3 N4 O24 -","- C48 H58 Cd3 N4 O24 -","- C96 H116 Cd6 N8 O48 -","2","0.5","","Jiang, Xian-Rong; Yuan, Hong-Yan; Feng, Yun-Long","Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties","Journal of Solid State Chemistry","2012","191","","181","190","10.1016/j.jssc.2012.03.002","","","0.71073","MoKα","","","0.0379","","","0.0676","0.0704","","","","","","1.026","","","","has coordinates","265625","2021-05-31","07:45:06",""
"1562982","20.786","0.0004","8.8946","0.0002","33.824","0.0006","90","","95.764","0.002","90","","6221.9","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H57 Cd3 N6 O25.5 -","- C52 H57 Cd3 N6 O25.5 -","- C208 H228 Cd12 N24 O102 -","4","0.5","","Jiang, Xian-Rong; Yuan, Hong-Yan; Feng, Yun-Long","Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties","Journal of Solid State Chemistry","2012","191","","181","190","10.1016/j.jssc.2012.03.002","","","0.71073","MoKα","","","0.0367","","","0.1065","0.1105","","","","","","1.07","","","","has coordinates","265625","2021-05-31","07:45:08",""
"1562983","16.3184","0.0008","16.447","0.0008","10.7606","0.0006","90","","114.015","0.003","90","","2638","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cd2 N0 Na2 O19 -","- C22 H20 Cd2 Na2 O19 -","- C88 H80 Cd8 Na8 O76 -","4","0.5","","Jiang, Xian-Rong; Yuan, Hong-Yan; Feng, Yun-Long","Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties","Journal of Solid State Chemistry","2012","191","","181","190","10.1016/j.jssc.2012.03.002","","","0.71073","MoKα","","","0.0179","","","0.0464","0.0475","","","","","","1.038","","","","has coordinates","265625","2021-05-31","07:45:14",""
"1562984","10.849","0.002","11.573","0.002","11.698","0.002","94.359","0.009","94.496","0.01","114.813","0.008","1319.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Cd2 Cl N4 O11 -","- C21 H27 Cd2 Cl N4 O11 -","- C42 H54 Cd4 Cl2 N8 O22 -","2","1","","Jiang, Xian-Rong; Yuan, Hong-Yan; Feng, Yun-Long","Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties","Journal of Solid State Chemistry","2012","191","","181","190","10.1016/j.jssc.2012.03.002","","","0.71073","MoKα","","","0.0403","","","0.1072","0.1114","","","","","","1.006","","","","has coordinates","265625","2021-05-31","07:45:26",""
"1562985","12.044","0.002","12.814","0.003","23.915","0.005","100","0.03","91.58","0.03","115.88","0.03","3247.9","1.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H85 B2 Cl Cu2 N16 O86 W24 -","- C88 H64 B2 Cl Cu2 N16 O86 W24 -","- C88 H64 B2 Cl Cu2 N16 O86 W24 -","1","0.5","","Wang, La-Mei; Fan, Yong; Wang, Yan; Xiao, Li-Na; Hu, Yang-Yang; Peng, Yu; Wang, Tie-Gang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","First examples of hybrids based on polyoxometalates, metal halide clusters and organic ligands","Journal of Solid State Chemistry","2012","191","","257","262","10.1016/j.jssc.2012.03.033","","","0.71073","MoKα","","0.0864","0.0572","","","0.1328","0.1457","","","","","","1.039","","","","has coordinates","265626","2021-05-31","07:54:43",""
"1562986","11.567","0.002","12.931","0.003","13.907","0.003","85.52","0.03","80.98","0.03","76.13","0.03","1992.7","0.8","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C58 H41 Cd2 Cl2 N10 O40 P W12 -","- C58 H40 Cd2 Cl2 N10 O40 P W12 -","- C58 H40 Cd2 Cl2 N10 O40 P W12 -","1","1","","Wang, La-Mei; Fan, Yong; Wang, Yan; Xiao, Li-Na; Hu, Yang-Yang; Peng, Yu; Wang, Tie-Gang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","First examples of hybrids based on polyoxometalates, metal halide clusters and organic ligands","Journal of Solid State Chemistry","2012","191","","257","262","10.1016/j.jssc.2012.03.033","","","0.71073","MoKα","","0.0863","0.0439","","","0.1037","0.1274","","","","","","1.032","","","","has coordinates","265626","2021-05-31","07:54:46",""
"1562987","12.1788","0.0008","17.5654","0.0012","15.7273","0.0011","90","","110.683","0.003","90","","3147.6","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N6 O2 S2 Zn -","- C32 N6 O2 S2 Zn -","- C128 N24 O8 S8 Zn4 -","4","1","","Liu, Yi; Yu, Ling-Min; Loo, Say Chye Joachim; Blair, Richard G.; Zhang, Qichun","Co-assembly of Zn(SPh)2 and organic linkers into helical and zig-zag polymer chains","Journal of Solid State Chemistry","2012","191","","283","286","10.1016/j.jssc.2012.03.044","","","0.71073","MoKα","","0.1027","0.0574","","","0.1753","0.2073","","","","","","1.05","","","","has coordinates","265627","2021-05-31","08:02:08",""
"1562988","8.6951","0.0003","10.7292","0.0004","30.1393","0.001","90","","96.711","0.002","90","","2792.47","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 S2 Zn -","- C32 N2 S2 Zn -","- C128 N8 S8 Zn4 -","4","1","","Liu, Yi; Yu, Ling-Min; Loo, Say Chye Joachim; Blair, Richard G.; Zhang, Qichun","Co-assembly of Zn(SPh)2 and organic linkers into helical and zig-zag polymer chains","Journal of Solid State Chemistry","2012","191","","283","286","10.1016/j.jssc.2012.03.044","","","0.71073","MoKα","","0.0991","0.0575","","","0.1622","0.1899","","","","","","0.989","","","","has coordinates","265627","2021-05-31","08:02:10",""
"1562989","5.4073","0.0001","5.4073","0.0001","5.4073","0.0001","90","","90","","90","","158.103","0.005","298","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Cerium oxide","","","- Ce O2 -","- Ce O2 -","- Ce4 O8 -","4","0.0208333","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","1.54178","","","","","","","","","","8.45","","","","","","","","has coordinates","265628","2021-05-31","08:34:04",""
"1562990","10.842","0.0001","10.842","0.0001","10.842","0.0001","90","","90","","90","","1274.47","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.9 Gd0.1 O1.95 -","- Ce0.9 Gd0.1 O1.95 -","- Ce28.8 Gd3.2 O62.4 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","1.8637","","","","","","","","has coordinates","265628","2021-05-31","08:34:05",""
"1562991","10.8544","0.0001","10.8544","0.0001","10.8544","0.0001","90","","90","","90","","1278.84","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.8 Gd0.2 O1.9 -","- Ce0.8 Gd0.2 O1.905 -","- Ce25.6 Gd6.4 O60.96 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","2.7592","","","","","","","","has coordinates","265628","2021-05-31","08:34:05",""
"1562992","10.8642","0.0002","10.8642","0.0002","10.8642","0.0002","90","","90","","90","","1282.31","0.04","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.7 Gd0.3 O1.85 -","- Ce0.7 Gd0.3 O1.885 -","- Ce22.4 Gd9.6 O60.32 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","4.3841","","","","","","","","has coordinates","265628","2021-05-31","08:34:05",""
"1562993","10.8678","0.0001","10.8678","0.0001","10.8678","0.0001","90","","90","","90","","1283.59","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.6 Gd0.4 O1.8 -","- Ce0.6 Gd0.4 O1.825 -","- Ce19.2 Gd12.8 O58.4 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","6.0513","","","","","","","","has coordinates","265628","2021-05-31","08:34:05",""
"1562994","10.8684","0.0001","10.8684","0.0001","10.8684","0.0001","90","","90","","90","","1283.8","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.5 Gd0.5 O1.75 -","- Ce0.5 Gd0.5 O1.745 -","- Ce16 Gd16 O55.84 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","7.3394","","","","","","","","has coordinates","265628","2021-05-31","08:34:05",""
"1562995","10.8647","0.0001","10.8647","0.0001","10.8647","0.0001","90","","90","","90","","1282.49","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.4 Gd0.6 O1.7 -","- Ce0.4 Gd0.6 O1.69 -","- Ce12.8 Gd19.2 O54.08 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","7.907","","","","","","","","has coordinates","265628","2021-05-31","08:34:05",""
"1562996","10.8581","0.0001","10.8581","0.0001","10.8581","0.0001","90","","90","","90","","1280.15","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.3 Gd0.7 O1.65 -","- Ce0.3 Gd0.7 O1.64 -","- Ce9.6 Gd22.4 O52.48 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","6.4344","","","","","","","","has coordinates","265628","2021-05-31","08:34:05",""
"1562997","10.8472","0.0001","10.8472","0.0001","10.8472","0.0001","90","","90","","90","","1276.3","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.2 Gd0.8 O1.6 -","- Ce0.2 Gd0.8 O1.595 -","- Ce6.4 Gd25.6 O51.04 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","5.681","","","","","","","","has coordinates","265628","2021-05-31","08:34:07",""
"1562998","10.8345","0.0001","10.8345","0.0001","10.8345","0.0001","90","","90","","90","","1271.82","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.1 Gd0.9 O1.55 -","- Ce0.1 Gd0.9 O1.55 -","- Ce3.2 Gd28.8 O49.6 -","32","0.666667","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","4.8874","","","","","","","","has coordinates","265628","2021-05-31","08:34:07",""
"1562999","10.8175","0.0001","10.8175","0.0001","10.8175","0.0001","90","","90","","90","","1265.85","0.02","298","","298","","","","","","","","","2","I a -3","-I 2b 2c 3","206","Gd oxide","","","- Gd2 O3 -","- Gd2 O3.02 -","- Gd32 O48.32 -","16","0.333333","","Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper","Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction","Journal of Solid State Chemistry","2012","190","","24","28","10.1016/j.jssc.2012.01.056","powder diffraction","x-rays","0.689","","","","","","","","","","6.9345","","","","","","","","has coordinates","265628","2021-05-31","08:34:07",""
"1563000","13.3315","0.0014","13.8926","0.0012","14.2678","0.0012","102.322","0.007","100.982","0.008","116.338","0.01","2187.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 La2 N16 O51 W6 -","- C52 H68 La2 N16 O51 W6 -","- C52 H68 La2 N16 O51 W6 -","1","0.5","","Tang, Qun; Liu, Shu-Xia; Liang, Da-Dong; Ma, Feng-Ji; Ren, Guo-Jian; Wei, Feng; Yang, Yuan; Li, Cong-Cong","Lanthanide-organic complexes based on polyoxometalates: Solvent effect on the luminescence properties","Journal of Solid State Chemistry","2012","190","","85","91","10.1016/j.jssc.2012.02.006","","","0.71073","MoKα","","0.0569","0.0322","","","0.0388","0.0398","","","","","","1.012","","","","has coordinates","265630","2021-05-31","08:41:48",""
"1563001","13.2697","0.0013","13.8499","0.0019","14.224","0.002","102.624","0.012","100.984","0.01","115.959","0.012","2168.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Ce2 N16 O51 W6 -","- C52 H68 Ce2 N16 O51 W6 -","- C52 H68 Ce2 N16 O51 W6 -","1","0.5","","Tang, Qun; Liu, Shu-Xia; Liang, Da-Dong; Ma, Feng-Ji; Ren, Guo-Jian; Wei, Feng; Yang, Yuan; Li, Cong-Cong","Lanthanide-organic complexes based on polyoxometalates: Solvent effect on the luminescence properties","Journal of Solid State Chemistry","2012","190","","85","91","10.1016/j.jssc.2012.02.006","","","0.71073","MoKα","","0.0866","0.0397","","","0.0527","0.0557","","","","","","0.901","","","","has coordinates","265630","2021-05-31","08:41:52",""
"1563002","29.26","0.005","14.698","0.005","24.363","0.005","90","0.005","123.822","0.005","90","0.005","8705","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H68 N16 O51 Sm2 W6 -","- C52 H68 N16 O51 Sm2 W6 -","- C208 H272 N64 O204 Sm8 W24 -","4","1","","Tang, Qun; Liu, Shu-Xia; Liang, Da-Dong; Ma, Feng-Ji; Ren, Guo-Jian; Wei, Feng; Yang, Yuan; Li, Cong-Cong","Lanthanide-organic complexes based on polyoxometalates: Solvent effect on the luminescence properties","Journal of Solid State Chemistry","2012","190","","85","91","10.1016/j.jssc.2012.02.006","","","0.71069","MoKα","","0.0716","0.0339","","","0.0407","0.0434","","","","","","0.758","","","","has coordinates","265630","2021-05-31","08:42:02",""
"1563003","12.865","0.002","13.2016","0.0018","15.054","0.003","109.352","0.012","110.565","0.014","98.394","0.011","2156.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Eu2 N16 O51 W6 -","- C52 H68 Eu2 N16 O51 W6 -","- C52 H68 Eu2 N16 O51 W6 -","1","0.5","","Tang, Qun; Liu, Shu-Xia; Liang, Da-Dong; Ma, Feng-Ji; Ren, Guo-Jian; Wei, Feng; Yang, Yuan; Li, Cong-Cong","Lanthanide-organic complexes based on polyoxometalates: Solvent effect on the luminescence properties","Journal of Solid State Chemistry","2012","190","","85","91","10.1016/j.jssc.2012.02.006","","","0.71073","MoKα","","0.1655","0.0702","","","0.1415","0.1557","","","","","","1.034","","","","has coordinates","265630","2021-05-31","08:42:04",""
"1563004","12.927","0.008","13.338","0.008","15.204","0.009","110.011","0.008","110.226","0.007","100.687","0.008","2170","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Gd2 N16 O51 W6 -","- C52 H68 Gd2 N16 O51 W6 -","- C52 H68 Gd2 N16 O51 W6 -","1","0.5","","Tang, Qun; Liu, Shu-Xia; Liang, Da-Dong; Ma, Feng-Ji; Ren, Guo-Jian; Wei, Feng; Yang, Yuan; Li, Cong-Cong","Lanthanide-organic complexes based on polyoxometalates: Solvent effect on the luminescence properties","Journal of Solid State Chemistry","2012","190","","85","91","10.1016/j.jssc.2012.02.006","","","0.71073","MoKα","","0.1506","0.1165","","","0.3059","0.3234","","","","","","1.097","","","","has coordinates","265630","2021-05-31","08:42:09",""
"1563005","6.4664","0.0004","8.4878","0.0004","15.3337","0.0008","90","","102.024","0.003","90","","823.13","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 Li2 O23 Sr4 -","- B12 Li2 O23 Sr4 -","- B24 Li4 O46 Sr8 -","2","0.5","","Zhang, Min; Pan, Shilie; Han, Jian; Yang, Zhihua; Su, Xin; Zhao, Wenwu","Li2Sr4B12O23: A new alkali and alkaline-earth metal mixed borate with [B10O18]6− network and isolated [B2O5]4− unit","Journal of Solid State Chemistry","2012","190","","92","97","10.1016/j.jssc.2012.01.061","","","0.71073","MoKα","","0.0296","0.0237","","","0.0533","0.0556","","","","","","1.086","","","","has coordinates","265631","2021-05-31","08:46:48",""
"1563006","6.52297","0.00006","8.72831","0.00008","12.1476","0.0001","90","","123.353","0.0005","90","","577.711","0.009","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 Gd Na3 O6 -","- B2 Gd Na3 O6 -","- B8 Gd4 Na12 O24 -","4","1","","Asiri Naidu, S.; Boudin, S.; Varadaraju, U.V.; Raveau, B.","Influence of structural distortions upon photoluminescence properties of Eu3+ and Tb3+ activated Na3Ln(BO3)2 (Ln=Y, Gd) borates","Journal of Solid State Chemistry","2012","190","","186","190","10.1016/j.jssc.2012.02.042","powder diffraction","","1.5418","CuKα","","0.0973","","","","","","","0.107","0.0402","","","","","","","has coordinates","265632","2021-05-31","08:59:13",""
"1563007","9.601","0.002","10.38","0.002","14.231","0.007","70.191","0.004","73.936","0.005","86.331","0.004","1281.5","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H22 N12 Nd2 O14 -","- C9 H22 N12 Nd2 O14 -","- C18 H44 N24 Nd4 O28 -","2","1","","Li, Qiao-Yun; Chen, Dian-Yu; He, Ming-Hua; Yang, Gao-Wen; Shen, Lei; Zhai, Chun; Shen, Wei; Gu, Kun; Zhao, Jing-Jing","Nd(III) and Dy(III) coordination compounds based on 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and catalytic properties","Journal of Solid State Chemistry","2012","190","","196","201","10.1016/j.jssc.2012.02.007","","","0.71073","MoKα","","0.0578","0.0351","","","0.0506","0.0527","","","","","","1.022","","","","has coordinates","265633","2021-05-31","09:03:59",""
"1563008","10.387","0.002","12.726","0.003","14.278","0.003","107.54","0.03","106.85","0.03","98.82","0.03","1661.3","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H22 Dy2 N12 O14 -","- C9 H22 Dy2 N12 O14 -","- C18 H44 Dy4 N24 O28 -","2","1","","Li, Qiao-Yun; Chen, Dian-Yu; He, Ming-Hua; Yang, Gao-Wen; Shen, Lei; Zhai, Chun; Shen, Wei; Gu, Kun; Zhao, Jing-Jing","Nd(III) and Dy(III) coordination compounds based on 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and catalytic properties","Journal of Solid State Chemistry","2012","190","","196","201","10.1016/j.jssc.2012.02.007","","","0.71073","MoKα","","0.0505","0.0349","","","0.064","0.0658","","","","","","1.083","","","","has coordinates","265633","2021-05-31","09:04:00",""
"1563009","5.8061","0.0005","37.762","0.003","9.5936","0.0009","90","","90","","90","","2103.4","0.3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","europium strontium aluminum silicon nitride oxide","","","- Al1.2 Eu0.06 N4.8 O1.2 Si2.8 Sr0.94 -","- Al1.2 Eu0.06 N4.8 O1.2 Si2.8 Sr0.94 -","- Al19.2 Eu0.96 N76.8 O19.2 Si44.8 Sr15.04 -","16","1","","Yamane, Hisanori; Shimooka, Satoshi; Uheda, Kyota","Synthesis, crystal structure and photoluminescence of a new Eu-doped Sr containing sialon (Sr0.94Eu0.06)(Al0.3Si0.7)4(N0.8O0.2)6","Journal of Solid State Chemistry","2012","190","","264","270","10.1016/j.jssc.2012.02.055","","","0.71075","MoKα","","0.0721","0.0521","","","0.1364","0.1521","","","","","","1.108","","","","has coordinates,has Fobs","265635","2021-05-31","09:18:07",""
"1563010","8.2447","0.0003","8.5667","0.0003","6.0313","0.00019","90","","90","","90","","425.99","0.03","300","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As0.9 Co2 H O5 P0.1 -","- As0.9 Co2 H O5 P0.1 -","- As3.6 Co8 H4 O20 P0.4 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.","Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution","Journal of Solid State Chemistry","2012","188","","1","10","10.1016/j.jssc.2012.01.048","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.3128","","","","","","","","has coordinates","265636","2021-05-31","09:58:50",""
"1563011","8.2119","0.001","8.5341","0.0011","6.0123","0.0007","90","","90","","90","","421.35","0.09","300","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As0.75 Co2 H O5 P0.25 -","- As0.75 Co2 H O5 P0.25 -","- As3 Co8 H4 O20 P -","4","0.5","","de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.","Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution","Journal of Solid State Chemistry","2012","188","","1","10","10.1016/j.jssc.2012.01.048","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.6217","","","","","","","","has coordinates","265636","2021-05-31","09:58:52",""
"1563012","8.0979","0.0007","8.4325","0.0009","5.9661","0.0006","90","","90","","90","","407.4","0.07","300","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As0.25 Co2 H O5 P0.75 -","- As0.25 Co2 H O5 P0.75 -","- As Co8 H4 O20 P3 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.","Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution","Journal of Solid State Chemistry","2012","188","","1","10","10.1016/j.jssc.2012.01.048","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.82","","","","","","","","has coordinates","265636","2021-05-31","09:58:55",""
"1563013","8.0509","0.0005","8.3946","0.0006","5.9533","0.0004","90","","90","","90","","402.35","0.05","300","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As0.1 Co2 H O5 P0.9 -","- As0.1 Co2 H O5 P0.9 -","- As0.4 Co8 H4 O20 P3.6 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Rodríguez Fernández, J.; Sanchez Marcos, J.; Fernández-Díaz, M.T.; Rojo, T.","Heat capacity and neutron diffraction studies on the frustrated magnetic Co2(OH)(PO4)1−x(AsO4)x [0≤x≤1] solid solution","Journal of Solid State Chemistry","2012","188","","1","10","10.1016/j.jssc.2012.01.048","powder diffraction","","1.5938","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.7876","","","","","","","","has coordinates","265636","2021-05-31","09:58:55",""
"1563014","9.854","0.002","11.064","0.002","13.508","0.003","72.27","0.03","84.12","0.03","66.99","0.03","1290.9","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 La2 O23 -","- C18 H22 La2 O23 -","- C36 H44 La4 O46 -","2","1","","Weng, Sheng-Feng; Wang, Yun-Hsin; Lee, Chi-Shen","New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O","Journal of Solid State Chemistry","2012","188","","77","83","10.1016/j.jssc.2012.01.046","","x-ray","0.71073","MoKα","","0.0417","0.0334","","","0.0649","0.0687","","","","","","1.053","","","","has coordinates","265641","2021-06-01","07:35:32",""
"1563015","12.48","0.003","8.2843","0.0017","12.044","0.002","90","","109.99","0.03","90","","1170.2","0.5","273","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Ce O11 -","- C7 H10 Ce O11 -","- C28 H40 Ce4 O44 -","4","1","","Weng, Sheng-Feng; Wang, Yun-Hsin; Lee, Chi-Shen","New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O","Journal of Solid State Chemistry","2012","188","","77","83","10.1016/j.jssc.2012.01.046","","","0.71073","MoKα","","0.0469","0.0359","","","0.0781","0.0826","","","","","","1.074","","","","has coordinates","265641","2021-06-01","07:35:32",""
"1563016","8.4324","0.001","9.1762","0.0011","9.5654","0.0012","90","","98.418","0.012","90","","732.17","0.16","295","2","295","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C4 H11 B F4 N2 -","- C4 H11 B F4 N2 -","- C16 H44 B4 F16 N8 -","4","2","","Wojtaś, M.; Gagor, A.; Czupiński, O.; Medycki, W.; Jakubas, R.","Crystal structure and characterization of the novel hydrogen bonded polar crystal","Journal of Solid State Chemistry","2012","187","","35","44","10.1016/j.jssc.2011.12.020","","","0.71073","MoKα","","0.1072","0.0508","","","0.1141","0.1363","","","","","","0.903","","","","has coordinates","265642","2021-06-01","07:49:16",""
"1563017","6.2532","0.0013","11.841","0.002","13.328","0.003","110.76","0.03","94.47","0.03","104.37","0.03","878.8","0.4","200","0.2","200","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Bi2 F2 N2 O10 -","- C14 H6 Bi2 F2 N2 O10 -","- C28 H12 Bi4 F4 N4 O20 -","2","1","","Jeon, Hye Rim; Lee, Dong Woo; Ok, Kang Min","Bi[NC5H3(CO2)2](OH2)xF (x=1 and 2): New one-dimensional Bi-coordination materials—Reversible hydration and topotactic decomposition to α-Bi2O3","Journal of Solid State Chemistry","2012","187","","83","88","10.1016/j.jssc.2011.12.044","","","0.71073","MoKα","","0.0369","0.0301","","","0.076","0.0912","","","","","","1.064","","","","has coordinates","265643","2021-06-01","07:54:51",""
"1563018","11.744","0.002","13.223","0.003","6.2279","0.0012","90","","103.44","0.03","90","","940.7","0.3","200","0.2","200","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Bi F N O6 -","- C7 H3 Bi F N O6 -","- C28 H12 Bi4 F4 N4 O24 -","4","1","","Jeon, Hye Rim; Lee, Dong Woo; Ok, Kang Min","Bi[NC5H3(CO2)2](OH2)xF (x=1 and 2): New one-dimensional Bi-coordination materials—Reversible hydration and topotactic decomposition to α-Bi2O3","Journal of Solid State Chemistry","2012","187","","83","88","10.1016/j.jssc.2011.12.044","","","0.71073","MoKα","","0.0284","0.0236","","","0.0584","0.0755","","","","","","1.218","","","","has coordinates","265643","2021-06-01","07:54:52",""
"1563019","9.4956","0.0016","7.899","0.0014","9.4444","0.0016","90","","117.498","0.003","90","","628.36","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba Fe2 H6 O17 P4 -","- Ba Fe2 H4 O17 P4 -","- Ba2 Fe4 H8 O34 P8 -","2","0.5","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M2III[PO3(OH)]4 (M=Fe, V) as examples","Journal of Solid State Chemistry","2012","187","","89","96","10.1016/j.jssc.2011.12.043","","","0.71073","MoKα","","0.0372","0.0369","","","0.0966","0.0973","","","","","","1.002","","","","has coordinates","265644","2021-06-01","07:59:51",""
"1563020","9.474","0.0016","7.9031","0.0013","9.4592","0.0016","90","","117.636","0.003","90","","627.45","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba H6 O17 P4 V2 -","- Ba H4 O17 P4 V2 -","- Ba2 H8 O34 P8 V4 -","2","0.5","","Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M2III[PO3(OH)]4 (M=Fe, V) as examples","Journal of Solid State Chemistry","2012","187","","89","96","10.1016/j.jssc.2011.12.043","","","0.71073","MoKα","","0.043","0.0422","","","0.1195","0.1201","","","","","","1.002","","","","has coordinates","265644","2021-06-01","07:59:51",""
"1563021","27.368","0.003","8.6016","0.0009","5.4046","0.0006","90","","98.025","0.002","90","","1259.8","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Li O6 P2 -","- C12 H11 Li O6 P2 -","- C48 H44 Li4 O24 P8 -","4","0.5","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0347","0.0307","","","0.1183","0.1253","","","","","","1.059","","","","has coordinates","265645","2021-06-01","08:30:21",""
"1563022","5.716","0.004","7.905","0.006","14.366","0.01","88.1","0.008","84.499","0.008","82.628","0.007","640.7","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Na O6 P2 -","- C12 H11 Na O6 P2 -","- C24 H22 Na2 O12 P4 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.1469","0.0725","","","0.1513","0.1749","","","","","","1.014","","","","has coordinates","265645","2021-06-01","08:30:25",""
"1563023","5.879","0.005","7.778","0.007","15.134","0.013","79.077","0.012","86.606","0.011","85.822","0.012","677","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 K O6 P2 -","- C12 H11 K O6 P2 -","- C24 H22 K2 O12 P4 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0746","0.0409","","","0.0922","0.1094","","","","","","1.002","","","","has coordinates","265645","2021-06-01","08:30:35",""
"1563024","5.872","0.002","7.68","0.003","15.242","0.005","101.822","0.003","91.516","0.004","93.709","0.004","670.8","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 O6 P2 Rb -","- C12 H11 O6 P2 Rb -","- C24 H22 O12 P4 Rb2 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0291","0.0261","","","0.0645","0.0657","","","","","","1.054","","","","has coordinates","265645","2021-06-01","08:30:47",""
"1563025","6.1734","0.0004","7.5322","0.0005","15.3998","0.001","102.219","0.0011","94.283","0.001","94.305","0.001","694.86","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cs O6 P2 -","- C12 H11 Cs O6 P2 -","- C24 H22 Cs2 O12 P4 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0317","0.0288","","","0.0763","0.0784","","","","","","1.055","","","","has coordinates","265645","2021-06-01","08:31:01",""
"1563026","28.28","0.02","7.547","0.006","6.39","0.006","90","","101.26","0.02","90","","1337.6","1.9","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 Na O3 P -","- C6 H5 Na O3 P -","- C48 H40 Na8 O24 P8 -","8","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0453","0.0337","","","0.0868","0.0939","","","","","","1.035","","","","has coordinates","265645","2021-06-01","08:31:13",""
"1563027","8.369","0.003","9.522","0.005","16.5383","0.0015","78.33","0.04","83.71","0.03","72.19","0.04","1227.2","0.8","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H33 N Na2 O14 P2 -","- C14 H33 N Na2 O14 P2 -","- C28 H66 N2 Na4 O28 P4 -","2","1","","Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham","Structural differences of metal biphenylenebisphosphonate with change in the alkali metal","Journal of Solid State Chemistry","2012","187","","149","158","10.1016/j.jssc.2011.12.034","","","0.71073","MoKα","","0.0541","0.0441","","","0.1235","0.1315","","","","","","1.094","","","","has coordinates","265645","2021-06-01","08:31:25",""
"1563028","13.126","0.002","5.6233","0.001","12.499","0.002","90","","90","","90","","922.6","0.3","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","Thulium Antimony Selenide","","","- Sb2 Se11.68 Tm4 -","- Sb2 Se11.7 Tm4 -","- Sb4 Se23.4 Tm8 -","2","0.25","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Two new ternary lanthanide antimony chalcogenides: Yb4Sb2S11.25 and Tm4Sb2Se11.68 containing chalcogenide Q2− and dichalcogenide (Q2)2− anions","Journal of Solid State Chemistry","2012","187","","264","268","10.1016/j.jssc.2012.01.020","","","0.71073","MoKα","","0.0384","0.0301","","","0.0767","0.0819","","","","","","1.062","","","","has coordinates","265646","2021-06-01","08:43:45",""
"1563029","12.4455","0.0003","5.3412","0.0001","12.0579","0.0003","90","","90","","90","","801.54","0.03","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","Ytterbium Antimony Sulfide","","","- S2.81 Sb0.5 Yb -","- S2.81 Sb0.5 Yb -","- S22.48 Sb4 Yb8 -","8","1","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Two new ternary lanthanide antimony chalcogenides: Yb4Sb2S11.25 and Tm4Sb2Se11.68 containing chalcogenide Q2− and dichalcogenide (Q2)2− anions","Journal of Solid State Chemistry","2012","187","","264","268","10.1016/j.jssc.2012.01.020","","","0.71073","MoKα","","0.0259","0.018","","","0.0368","0.0398","","","","","","1.055","","","","has coordinates","265646","2021-06-01","08:43:46",""
"1563030","33.2905","0.0008","5.861","0.0001","15.8967","0.0004","90","","90.725","0.001","90","","3101.45","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- In K3 Mo4 O15 -","- In K3 Mo4 O15 -","- In8 K24 Mo32 O120 -","8","1","","Khal-baeva, Klara M.; Solodovnikov, Sergey F.; Khaikina, Elena G.; Kadyrova, Yuliya M.; Solodovnikova, Zoya A.; Basovich, Olga M.","Phase formation in the Li2MoO4‒K2MoO4‒In2(MoO4)3 system and crystal structures of new compounds K3InMo4O15 and LiK2In(MoO4)3","Journal of Solid State Chemistry","2012","187","","276","281","10.1016/j.jssc.2012.01.010","","","0.71073","MoKα","","0.0486","0.0407","","","0.112","0.1248","","","","","","1.013","","","","has coordinates","265647","2021-06-01","08:50:46",""
"1563031","7.0087","0.0002","9.2269","0.0003","10.1289","0.0003","90","","107.401","0.001","90","","625.04","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- In K2 Li Mo3 O12 -","- In K2 Li Mo3 O12 -","- In2 K4 Li2 Mo6 O24 -","2","1","","Khal-baeva, Klara M.; Solodovnikov, Sergey F.; Khaikina, Elena G.; Kadyrova, Yuliya M.; Solodovnikova, Zoya A.; Basovich, Olga M.","Phase formation in the Li2MoO4‒K2MoO4‒In2(MoO4)3 system and crystal structures of new compounds K3InMo4O15 and LiK2In(MoO4)3","Journal of Solid State Chemistry","2012","187","","276","281","10.1016/j.jssc.2012.01.010","","","0.71073","MoKα","","0.0306","0.028","","","0.0522","0.0532","","","","","","1.033","","","","has coordinates","265647","2021-06-01","08:50:47",""
"1563032","3.7876","0.0004","3.7876","0.0004","20.7971","0.0019","90","","90","","90","","298.35","0.05","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Er2 O2 S3 U -","- Er2 O2 S3 U -","- Er4 O4 S6 U2 -","2","0.0625","","Raw, Adam D.; Ibers, James A.","Synthesis and structural characterization of the new compound UEr2O2S3 and the evidence for the old compound U2ErO2S3","Journal of Solid State Chemistry","2012","187","","282","285","10.1016/j.jssc.2011.12.040","","","0.71073","MoKα","","0.0141","0.0141","","","0.035","0.035","","","","","","1.207","","","","has coordinates","265648","2021-06-01","08:55:53",""
"1563033","3.785","0.001","3.785","0.001","20.83","0.01","90","","90","","90","","298.42","0.18","273","2","273","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Er2 O2 S3 U -","- Er2 O2 S3 U -","- Er4 O4 S6 U2 -","2","0.0625","","Raw, Adam D.; Ibers, James A.","Synthesis and structural characterization of the new compound UEr2O2S3 and the evidence for the old compound U2ErO2S3","Journal of Solid State Chemistry","2012","187","","282","285","10.1016/j.jssc.2011.12.040","","","0.71069","MoKα","","0.0367","0.0367","","","0.087","0.087","","","","","","1.312","","","","has coordinates","265648","2021-06-01","08:56:03",""
"1563034","25.993","0.007","14.628","0.004","21.521","0.005","90","","108.245","0.003","90","","7771","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Cu4 N8 O40 P W11 -","- C52 H56 Cu4 N8 O40 P W11 -","- C208 H224 Cu16 N32 O160 P4 W44 -","4","0.5","","Pang, Haijun; Ma, Huiyuan; Yu, Yan; Yang, Ming; Xun, Ye; Liu, Bo","An unusual mono-substituted Keggin anion-chain based 3D framework with 24-membered macrocycles as linker units","Journal of Solid State Chemistry","2012","186","","23","28","10.1016/j.jssc.2011.11.032","","","0.71069","MoKα","","0.1116","0.0586","","","0.1527","0.1679","","","","","","0.869","","","","has coordinates","265649","2021-06-01","09:02:41",""
"1563035","11.225","0.002","7.9443","0.0016","21.303","0.004","90","","103.1","0.03","90","","1850.3","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag Cs Ga2 Se4 -","- Ag Cs Ga2 Se4 -","- Ag8 Cs8 Ga16 Se32 -","8","2","","Mei, Dajiang; Yin, Wenlong; Feng, Kai; Bai, Lei; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Synthesis, structure, and electronic structure of CsAgGa2Se4","Journal of Solid State Chemistry","2012","186","","54","57","10.1016/j.jssc.2011.11.014","","","0.71073","MoKα","","0.0687","0.0479","","","0.1063","0.1188","","","","","","1.048","","","","has coordinates","265650","2021-06-01","09:06:55",""
"1563036","11.4443","0.0012","12.9843","0.001","12.4555","0.0013","90","","91.527","0.0014","90","","1850.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H32 Cu8 Ge4 N4 O2 S14 -","- C8 H28 Cu8 Ge4 N4 O2 S14 -","- C16 H56 Cu16 Ge8 N8 O4 S28 -","2","0.5","","Zhang, Ren-Chun; Zhang, Chi; Ji, Shou-Hua; Ji, Min; An, Yong-Lin","Synthesis and characterization of (H2dab)2Cu8Ge4S14·2H2O: An expanded framework based on icosahedral Cu8S12 cluster","Journal of Solid State Chemistry","2012","186","","94","98","10.1016/j.jssc.2011.11.030","","","0.71073","MoKα","","0.1354","0.087","","","0.2083","0.2254","","","","","","1.014","","","","has coordinates","265651","2021-06-01","09:20:45",""
"1563037","10.562","0.002","23.497","0.005","14.431","0.003","90","","105.89","0.03","90","","3444.6","1.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Cd N18 O15 -","- C21 H34 Cd N18 O15 -","- C84 H136 Cd4 N72 O60 -","4","1","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.0912","0.0718","","","0.1969","0.2098","","","","","","1.043","","","","has coordinates","265652","2021-06-01","09:32:37",""
"1563038","7.2006","0.0014","9.81","0.002","13.937","0.003","90","","101.01","0.03","90","","966.4","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd N12 O6 -","- C14 H14 Cd N12 O6 -","- C28 H28 Cd2 N24 O12 -","2","0.5","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.0466","0.0304","","","0.0924","0.106","","","","","","0.761","","","","has coordinates","265652","2021-06-01","09:32:38",""
"1563039","13.418","0.003","9.872","0.002","15.608","0.003","90","","91.2","0.03","90","","2067","0.7","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cd N12 O6 -","- C16 H18 Cd N12 O6 -","- C64 H72 Cd4 N48 O24 -","4","0.5","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.0328","0.032","","","0.0922","0.0928","","","","","","1.177","","","","has coordinates","265652","2021-06-01","09:32:38",""
"1563040","10.507","0.002","18.953","0.007","13.699","0.003","90","","109.98","0.03","90","","2563.8","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Co N12 O12 -","- C14 H26 Co N12 O12 -","- C56 H104 Co4 N48 O48 -","4","0.5","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.112","0.0851","","","0.2028","0.2216","","","","","","1.065","","","","has coordinates","265652","2021-06-01","09:32:38",""
"1563041","7.2524","0.0015","8.7822","0.0018","9.2384","0.0018","72.22","0.03","82.39","0.03","86.36","0.03","555.2","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co N12 O8 -","- C14 H18 Co N12 O8 -","- C14 H18 Co N12 O8 -","1","0.5","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.0754","0.0548","","","0.132","0.1441","","","","","","0.887","","","","has coordinates","265652","2021-06-01","09:32:38",""
"1563042","7.7833","0.0016","12.865","0.003","12.192","0.002","90","","91.73","0.03","90","","1220.3","0.4","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cl Co N6 O3 -","- C7 H7 Cl Co N6 O3 -","- C28 H28 Cl4 Co4 N24 O12 -","4","1","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.0674","0.0486","","","0.1297","0.142","","","","","","0.959","","","","has coordinates","265652","2021-06-01","09:32:38",""
"1563043","7.3993","0.0015","7.9352","0.0016","9.1366","0.0018","93.16","0.03","97.93","0.03","114.13","0.03","481.2","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N12 O6 Zn -","- C14 H14 N12 O6 Zn -","- C14 H14 N12 O6 Zn -","1","0.5","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.0554","0.0452","","","0.1235","0.1319","","","","","","0.941","","","","has coordinates","265652","2021-06-01","09:32:38",""
"1563044","7.3403","0.0015","8.7531","0.0018","9.1213","0.0018","72.84","0.03","82.81","0.03","86.4","0.03","555.3","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N12 O8 Zn -","- C14 H18 N12 O8 Zn -","- C14 H18 N12 O8 Zn -","1","0.5","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.0608","0.0474","","","0.1328","0.1454","","","","","","0.992","","","","has coordinates","265652","2021-06-01","09:32:38",""
"1563045","7.1801","0.0014","9.6579","0.0019","13.937","0.003","90","","100.38","0.03","90","","950.6","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Mn N12 O6 -","- C14 H14 Mn N12 O6 -","- C28 H28 Mn2 N24 O12 -","2","0.5","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.084","0.0612","","","0.1495","0.1624","","","","","","1.1","","","","has coordinates","265652","2021-06-01","09:32:38",""
"1563046","7.3092","0.0015","8.6745","0.0017","9.1315","0.0018","72.3","0.03","82.73","0.03","86.47","0.03","547","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N12 Ni O8 -","- C14 H18 N12 Ni O8 -","- C14 H18 N12 Ni O8 -","1","0.5","","Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian","A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)","Journal of Solid State Chemistry","2012","186","","124","133","10.1016/j.jssc.2011.11.017","","","0.71073","MoKα","","0.0956","0.0674","","","0.1576","0.1742","","","","","","1.032","","","","has coordinates","265652","2021-06-01","09:32:41",""
"1563047","6.723","0.002","6.723","0.002","19.069","0.006","90","","90","","120","","746.4","0.4","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cu2.84 Dy1.06 S3 -","- Cu2.82 Dy1.06 S3 -","- Cu16.92 Dy6.36 S18 -","6","0.333333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0383","0.0344","","","0.0992","0.1012","","","","","","1.101","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563048","8.619","0.0012","8.619","0.0012","13.857","0.003","90","","90","","120","","891.5","0.3","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu Dy Te2 -","- Cu Dy Te2 -","- Cu8 Dy8 Te16 -","8","0.666667","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0805","0.0589","","","0.2015","0.2166","","","","","","1.252","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563049","6.707","0.0009","6.707","0.0009","12.675","0.003","90","","90","","120","","493.78","0.15","295","2","295","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Cu3 Er S3 -","- Cu3 Er S3 -","- Cu12 Er4 S12 -","4","0.333333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0435","0.0351","","","0.0947","0.0989","","","","","","1.295","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563050","7.478","0.001","7.478","0.001","7.015","0.001","90","","90","","120","","339.73","0.08","295","2","295","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Cu1.74 Gd0.75 Te2 -","- Cu1.74 Gd0.753333 Te2 -","- Cu5.22 Gd2.26 Te6 -","3","0.25","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0415","0.0401","","","0.1004","0.1016","","","","","","1.223","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563051","3.886","0.0005","3.886","0.0005","6.385","0.0013","90","","90","","120","","83.5","0.02","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu2 Ho0.67 S2 -","- Cu2 Ho0.67 S2 -","- Cu2 Ho0.67 S2 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0439","0.043","","","0.1028","0.103","","","","","","1.26","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563052","3.8694","0.0014","3.8694","0.0014","6.3263","0.0019","90","","90","","120","","82.03","0.05","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu2 Lu0.67 S2 -","- Cu2 Lu0.67 S2 -","- Cu2 Lu0.67 S2 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0195","0.0191","","","0.0421","0.0422","","","","","","1.234","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563053","4.26","0.0006","4.26","0.0006","6.905","0.001","90","","90","","120","","108.52","0.03","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu Lu Te2 -","- Cu Lu Te2 -","- Cu Lu Te2 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0509","0.0472","","","0.1245","0.1279","","","","","","1.245","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563054","6.7475","0.0017","6.7475","0.0017","19.17","0.005","90","","90","","120","","755.9","0.3","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cu3 S3 Tb -","- Cu3 S3 Tb -","- Cu18 S18 Tb6 -","6","0.333333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0384","0.038","","","0.1008","0.1011","","","","","","1.152","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563055","8.6295","0.0017","8.6295","0.0017","13.856","0.003","90","","90","","120","","893.6","0.3","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu Tb Te2 -","- Cu Tb Te2 -","- Cu8 Tb8 Te16 -","8","0.666667","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0899","0.0573","","","0.1523","0.1717","","","","","","1.184","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563056","4.261","0.0006","4.261","0.0006","6.904","0.001","90","","90","","120","","108.56","0.03","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu0.78 Te2 Tm1.07 -","- Cu0.78 Te2 Tm1.07 -","- Cu0.78 Te2 Tm1.07 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0412","0.0399","","","0.091","0.0917","","","","","","1.216","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563057","3.866","0.0005","3.866","0.0005","6.272","0.0013","90","","90","","120","","81.18","0.02","295","2","295","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu1.6 S2 Yb0.8 -","- Cu1.6 S2 Yb0.8 -","- Cu1.6 S2 Yb0.8 -","1","0.0833333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0384","0.0384","","","0.0891","0.0891","","","","","","1.263","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563064","7.1695","0.0016","19.018","0.004","16.588","0.004","90","","90","","90","","2261.8","0.9","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cr2 Mg O23 U2 -","- Cr2 Mg O23 U2 -","- Cr8 Mg4 O92 U8 -","4","0.25","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0432","0.0357","","","0.1033","0.1077","","","","","","1.078","","","","has coordinates","265664","2021-06-02","07:18:45",""
"1563065","13.443","0.0018","9.5141","0.0013","13.2561","0.0018","90","","103.535","0.002","90","","1648.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 N2 O17 U2 -","- Cr2 N2 O17 U2 -","- Cr8 N8 O68 U8 -","4","1","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0513","0.0322","","","0.0705","0.0785","","","","","","1.003","","","","has coordinates","265664","2021-06-02","07:18:48",""
"1563066","13.6","0.002","9.4926","0.0014","13.243","0.002","90","","103.486","0.002","90","","1662.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 O17 Rb2 U2 -","- Cr2 O17 Rb2 U2 -","- Cr8 O68 Rb8 U8 -","4","1","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0594","0.0357","","","0.0718","0.0803","","","","","","1.072","","","","has coordinates","265664","2021-06-02","07:18:51",""
"1563067","8.08","0.005","12.072","0.008","9.38","0.006","90","","112.745","0.007","90","","843.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr Cs H3 O8 U -","- Cr Cs H3 O8 U -","- Cr4 Cs4 H12 O32 U4 -","4","1","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0349","0.0255","","","0.0473","0.0498","","","","","","1.027","","","","has coordinates","265664","2021-06-02","07:19:01",""
"1563068","7.9697","0.0013","11.835","0.0018","9.2366","0.0014","90","","113.071","0.002","90","","801.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H3 O8 Rb U -","- Cr H3 O8 Rb U -","- Cr4 H12 O32 Rb4 U4 -","4","1","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0417","0.0283","","","0.0534","0.0577","","","","","","1.032","","","","has coordinates","265664","2021-06-02","07:19:04",""
"1563069","9.8822","0.0006","17.3444","0.0011","13.8215","0.0009","90","","108.926","0.001","90","","2240.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co3 Cr6 O52 U4 -","- Co3 Cr6 O52 U4 -","- Co6 Cr12 O104 U8 -","2","0.5","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0691","0.0423","","","0.0937","0.1049","","","","","","1.013","","","","has coordinates","265664","2021-06-02","07:19:05",""
"1563070","9.2281","0.0009","10.8264","0.0011","19.793","0.002","90","","99.247","0.001","90","","1951.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr3 Li2 O23 U2 -","- Cr3 Li2 O23 U2 -","- Cr12 Li8 O92 U8 -","4","1","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.062","0.0404","","","0.0822","0.0898","","","","","","1.044","","","","has coordinates","265664","2021-06-02","07:19:14",""
"1563071","9.1273","0.0006","10.9329","0.0007","21.1262","0.0013","90","","90","","90","","2108.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cr3 O25 U2 Zn -","- Cr3 O25 U2 Zn -","- Cr12 O100 U8 Zn4 -","4","1","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0416","0.0372","","","0.091","0.0938","","","","","","1.006","","","","has coordinates","265664","2021-06-02","07:19:17",""
"1563072","6.9724","0.0004","14.8052","0.0007","3.9678","0.0002","90","","90","","90","","409.59","0.04","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","Uranium Gadolinium Oxyselenide","","","- Gd2 O4 Se3 U2 -","- Gd2 O4 Se3 U2 -","- Gd4 O8 Se6 U4 -","2","0.25","","Raw, Adam D.; Ibers, James A.","Syntheses and crystal structures of the quaternary uranium lanthanide oxyselenides UYb2O2Se3 and U2Ln2O4Se3 (Ln=Pr, Sm, Gd)","Journal of Solid State Chemistry","2012","186","","177","181","10.1016/j.jssc.2011.12.002","","","0.71073","MoKα","","0.0222","0.0217","","","0.0576","0.0577","","","","","","1.777","","","","has coordinates","265665","2021-06-02","07:27:10",""
"1563073","7.0466","0.0003","14.9241","0.0005","4.0235","0.0001","90","","90","","90","","423.13","0.03","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","Uranium Praseodymium Oxyselenide","","","- O4 Pr2 Se3 U2 -","- O4 Pr2 Se3 U2 -","- O8 Pr4 Se6 U4 -","2","0.25","","Raw, Adam D.; Ibers, James A.","Syntheses and crystal structures of the quaternary uranium lanthanide oxyselenides UYb2O2Se3 and U2Ln2O4Se3 (Ln=Pr, Sm, Gd)","Journal of Solid State Chemistry","2012","186","","177","181","10.1016/j.jssc.2011.12.002","","","0.71073","MoKα","","0.0185","0.0185","","","0.0548","0.0548","","","","","","1.919","","","","has coordinates","265665","2021-06-02","07:27:11",""
"1563074","6.9873","0.0002","14.7923","0.0004","3.9854","0.0001","90","","90","","90","","411.924","0.019","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","Uranium Samarium Oxyselenide","","","- O4 Se3 Sm2 U2 -","- O4 Se3 Sm2 U2 -","- O8 Se6 Sm4 U4 -","2","0.25","","Raw, Adam D.; Ibers, James A.","Syntheses and crystal structures of the quaternary uranium lanthanide oxyselenides UYb2O2Se3 and U2Ln2O4Se3 (Ln=Pr, Sm, Gd)","Journal of Solid State Chemistry","2012","186","","177","181","10.1016/j.jssc.2011.12.002","","","0.71073","MoKα","","0.0157","0.0154","","","0.0399","0.0399","","","","","","1.473","","","","has coordinates","265665","2021-06-02","07:27:11",""
"1563075","3.8534","0.0009","3.8534","0.0009","21.61","0.005","90","","90","","90","","320.88","0.13","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","Uranium Ytterbium Oxyselenide","","","- O2 Se3 U Yb2 -","- O2 Se3 U Yb2 -","- O4 Se6 U2 Yb4 -","2","0.0625","","Raw, Adam D.; Ibers, James A.","Syntheses and crystal structures of the quaternary uranium lanthanide oxyselenides UYb2O2Se3 and U2Ln2O4Se3 (Ln=Pr, Sm, Gd)","Journal of Solid State Chemistry","2012","186","","177","181","10.1016/j.jssc.2011.12.002","","","0.71073","MoKα","","0.0317","0.0273","","","0.0784","0.0945","","","","","","2.179","","","","has coordinates","265665","2021-06-02","07:27:11",""
"1563076","8.1895","0.0016","20.169","0.004","7.6988","0.0015","90","","90","","90","","1271.6","0.4","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","Cobaltborate","","","- B24 Co7 H6 O46 -","- B24 Co7 H6 O46 -","- B48 Co14 H12 O92 -","2","0.25","","Neumair, Stephanie C.; Kaindl, Reinhard; Huppertz, Hubert","The new high-pressure borate Co7B24O42(OH)2·2H2O—Formation of edge-sharing BO4 tetrahedra in a hydrated borate","Journal of Solid State Chemistry","2012","185","","1","9","10.1016/j.jssc.2011.10.028","","","0.71073","MoKα","","0.0758","0.0454","","","0.0757","0.0836","","","","","","1.067","","","","has coordinates","265666","2021-06-02","07:38:23",""
"1563077","10.7469","0.0007","10.7469","0.0007","9.5447","0.0007","90","","90","","120","","954.68","0.11","150","2","150","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C15 H27 O6 Tm -","- C15 H27 O6 Tm -","- C30 H54 O12 Tm2 -","2","0.166667","","Fomina, Irina; Dobrokhotova, Zhanna; Aleksandrov, Grygory; Emelina, Anna; Bykov, Mikhail; Malkerova, Irina; Bogomyakov, Artem; Puntus, Lada; Novotortsev, Vladimir; Eremenko, Igor","Novel 1D coordination polymer {Tm(Piv)3}n: Synthesis, structure, magnetic properties and thermal behavior","Journal of Solid State Chemistry","2012","185","","49","55","10.1016/j.jssc.2011.09.033","","","0.71073","MoKα","","0.0671","0.0552","","","0.1672","0.1778","","","","","","1","","","","has coordinates,has disorder","265667","2021-06-02","07:43:31",""
"1563078","8.380113","0.000028","8.380113","","8.380113","","90","","90","","90","","588.504","0.002","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Ca Mo O6 -","- Ba2 Ca Mo O6 -","- Ba8 Ca4 Mo4 O24 -","4","0.0208333","","Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.","Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides","Journal of Solid State Chemistry","2012","185","","107","116","10.1016/j.jssc.2011.11.007","powder diffraction","","","","","","","","","","","","","1.31","","","","","","","has coordinates","265668","2021-06-02","07:55:34",""
"1563079","5.93741","0.00035","5.93741","","8.4015","0.0007","90","","90","","90","","296.18","0.03","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba2 Ca O6 W -","- Ba2 Ca O6 W -","- Ba4 Ca2 O12 W2 -","2","0.125","","Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.","Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides","Journal of Solid State Chemistry","2012","185","","107","116","10.1016/j.jssc.2011.11.007","powder diffraction","","","","","","","","","","","","","1.23","","","","","","","has coordinates","265669","2021-06-02","07:58:58",""
"1563080","8.1078","0.00029","8.1078","","8.1078","","90","","90","","90","","532.978","0.019","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Mg O6 W -","- Ba2 Mg O6 W -","- Ba8 Mg4 O24 W4 -","4","0.0208333","","Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.","Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides","Journal of Solid State Chemistry","2012","185","","107","116","10.1016/j.jssc.2011.11.007","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","265670","2021-06-02","08:03:14",""
"1563081","5.55175","0.00026","5.81004","0.00027","8.0066","0.0004","90","","90.1915","0.0008","90","","258.26","0.02","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ca3 O6 W -","- Ca3 O6 W -","- Ca6 O12 W2 -","2","0.5","","Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.","Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides","Journal of Solid State Chemistry","2012","185","","107","116","10.1016/j.jssc.2011.11.007","powder diffraction","","","","","","","","","","","","","1.25","","","","","","","has coordinates","265671","2021-06-02","08:06:08",""
"1563082","5.58682","0.00026","5.58682","","7.9864","0.0004","90","","90","","90","","249.276","0.017","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- Mo O6 Sr2 Zn -","- Mo O6 Sr2 Zn -","- Mo2 O12 Sr4 Zn2 -","2","0.125","","Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.","Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides","Journal of Solid State Chemistry","2012","185","","107","116","10.1016/j.jssc.2011.11.007","powder diffraction","","","","","","","","","","","","","1.58","","","","","","","has coordinates","265672","2021-06-02","08:09:23",""
"1563083","5.63213","0.00027","5.60804","0.00026","7.9266","0.0004","90","","89.962","0.004","90","","250.36","0.02","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- O6 Sr2 W Zn -","- O6 Sr2 W Zn -","- O12 Sr4 W2 Zn2 -","2","0.5","","Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.","Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides","Journal of Solid State Chemistry","2012","185","","107","116","10.1016/j.jssc.2011.11.007","powder diffraction","","","","","","","","","","","","","1.31","","","","","","","has coordinates","265673","2021-06-02","08:11:42",""
"1563084","9.2136","0.0004","8.6548","0.0003","15.0161","0.0006","90","","91.24","0.002","90","","1197.13","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cesium diuranium(IV) triphosphate","","- Cs O12 P3 U2 -","- Cs O12 P3 U2 -","- Cs4 O48 P12 U8 -","4","1","","Oh, George N.; Ringe, Emilie; Van Duyne, Richard P.; Ibers, James A.","Synthesis, structure, and optical properties of CsU2(PO4)3","Journal of Solid State Chemistry","2012","185","","124","129","10.1016/j.jssc.2011.10.007","","","0.71073","MoKα","","0.0214","0.0199","","","0.0523","0.0525","","","","","","1.338","","","","has coordinates","265674","2021-06-02","08:23:20",""
"1563085","16.0192","0.0009","18.306","0.001","18.3287","0.001","64.826","0.002","65.24","0.002","74.174","0.002","4387.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H118 Dy4 N12 O36 -","- C67 H114 Dy4 N12 O36 -","- C134 H228 Dy8 N24 O72 -","2","1","","Chen, Yen-Han; Tsai, Yun-Fan; Lee, Gene-Hsian; Yang, En-Che","The synthesis, structure, magnetic and luminescent properties of a new tetranuclear dysprosium (III) cluster","Journal of Solid State Chemistry","2012","185","","166","171","10.1016/j.jssc.2011.10.033","","","0.71073","MoKα","","0.0466","0.0399","","","0.1193","0.1292","","","","","","1.034","","","","has coordinates,has disorder","265675","2021-06-02","08:53:05",""
"1563086","6.947","0.0002","7.0934","0.0002","25.7464","0.0006","90","","90","","90","","1268.73","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- La O15 U2 V3 -","- La O15 U2 V3 -","- La4 O60 U8 V12 -","4","1","","Mer, A.; Obbade, S.; Rivenet, M.; Renard, C.; Abraham, F.","[La(UO2)V2O7][(UO2)(VO4)] the first lanthanum uranyl-vanadate with structure built from two types of sheets based upon the uranophane anion-topology","Journal of Solid State Chemistry","2012","185","","180","186","10.1016/j.jssc.2011.10.042","","","0.71073","MoKα","","0.0283","0.0219","","","0.0339","0.0352","","","","","","0.989","","","","has coordinates","265676","2021-06-02","08:56:59",""
"1563087","27.0265","0.0006","13.8344","0.0002","15.281","0.0004","90","","123.277","0.002","90","","4776.6","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Co6 O33 -","- C24 H50 Co6 O33 -","- C96 H200 Co24 O132 -","4","0.5","","Lv, Yao-Kang; Feng, Yun-Long; Gan, Li-Hua; Liu, Ming-Xian; Xu, Liang; Liu, Cao; Zheng, Hao-Wen; Li, Jie","Synthesis of Co-containing mesoporous carbon foams using a new cobalt-oxo cluster as a precursor","Journal of Solid State Chemistry","2012","185","","198","205","10.1016/j.jssc.2011.11.010","","","0.71073","MoKα","","0.1219","0.0734","","","0.1803","0.2025","","","","","","0.991","","","","has coordinates","265677","2021-06-02","09:02:10",""
"1563088","12.5257","0.0002","14.2085","0.0001","10.5397","0.0001","90","","90","","90","","1875.77","0.04","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H16 Eu2 O20 -","- C12 H16 Eu2 O20 -","- C48 H64 Eu8 O80 -","4","0.5","","Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long","Two types of rare earth‒organic frameworks constructed by racemic tartaric acid","Journal of Solid State Chemistry","2012","185","","253","263","10.1016/j.jssc.2011.11.012","","","0.71073","MoKα","","0.0164","0.0161","","","0.0454","0.0457","","","","","","1.001","","","","has coordinates","265678","2021-06-02","09:11:35",""
"1563089","12.4764","0.0001","14.1541","0.0002","10.4935","0.0001","90","","90","","90","","1853.07","0.03","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H16 Dy2 O20 -","- C12 H16 Dy2 O20 -","- C48 H64 Dy8 O80 -","4","0.5","","Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long","Two types of rare earth‒organic frameworks constructed by racemic tartaric acid","Journal of Solid State Chemistry","2012","185","","253","263","10.1016/j.jssc.2011.11.012","","","0.71073","MoKα","","0.0183","0.0178","","","0.0478","0.0483","","","","","","1.056","","","","has coordinates","265678","2021-06-02","09:11:36",""
"1563090","6.1092","0.0002","7.6866","0.0002","22.6987","0.0006","90","","91.657","0.001","90","","1065.46","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 La2 O22 -","- C10 H20 La2 O22 -","- C20 H40 La4 O44 -","2","0.5","","Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long","Two types of rare earth‒organic frameworks constructed by racemic tartaric acid","Journal of Solid State Chemistry","2012","185","","253","263","10.1016/j.jssc.2011.11.012","","","0.71073","MoKα","","0.0213","0.0191","","","0.0525","0.0541","","","","","","1.025","","","","has coordinates,has disorder","265678","2021-06-02","09:11:36",""
"1563091","6.0528","0.0002","7.6177","0.0003","22.3364","0.0008","90","","91.412","0.002","90","","1029.58","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Nd2 O22 -","- C10 H20 Nd2 O22 -","- C20 H40 Nd4 O44 -","2","0.5","","Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long","Two types of rare earth‒organic frameworks constructed by racemic tartaric acid","Journal of Solid State Chemistry","2012","185","","253","263","10.1016/j.jssc.2011.11.012","","","0.71073","MoKα","","0.0438","0.0417","","","0.0933","0.0942","","","","","","1.004","","","","has coordinates,has disorder","265678","2021-06-02","09:11:37",""
"2018339","7.2557","0.0003","8.4285","0.0004","11.0412","0.0006","90","","90","","90","","675.22","0.06","200","","200","","","","","","","","","4","P b c n","-P 2n 2ab","60","Magnesium chloride tetrahydrate","Magnesium chloride tetrahydrate","","- Cl2 H8 Mg O4 -","- Cl2 H8 Mg O4 -","- Cl8 H32 Mg4 O16 -","4","0.5","BI3028","Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang","Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O","Acta Crystallographica Section C","2012","68","1","i4","i6","10.1107/S0108270111054709","","","0.71073","MoKα","","0.0197","0.0158","","","0.0501","0.0508","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018340","15.3566","0.001","14.1309","0.0007","14.0768","0.0006","77.771","0.004","123.88","0.003","86.465","0.001","2416.9","0.3","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","<i>cyclo</i>-tetrakis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato- κ^2^<i>S</i>:<i>S</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","","- C100 H76 Ag4 N4 O8 P4 S8 -","- C100 H76 Ag4 N4 O8 P4 S8 -","- C100 H76 Ag4 N4 O8 P4 S8 -","1","0.5","BI3030","Dennehy, Mariana; Freire, Eleonora; Baggio, Ricardo","A triclinic polymorph of <i>cyclo</i>-tetra-μ-thiosaccharinato-κ^8^<i>S</i>:<i>S</i>-tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","Acta Crystallographica Section C","2012","68","1","m17","m20","10.1107/S0108270111053674","","","0.71073","MoKα","","0.1311","0.0553","","","0.0881","0.1117","","","","","","0.935","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018341","29.236","0.006","5.7289","0.0011","28.417","0.006","90","","112.82","0.03","90","","4387","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'- tetrakis(4-iodobenzoato-κ^2^<i>O</i>,<i>O</i>')dicadmium]","","- C20 H15 Cd I2 N O5 -","- C20 H15 Cd I2 N O5 -","- C160 H120 Cd8 I16 N8 O40 -","8","1","DT3009","Liu, Dong; Li, Ni-Ya","Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'-tetrakis(4-iodobenzoato-κ^2^<i>O</i>,<i>O</i>')dicadmium]","Acta Crystallographica Section C","2012","68","1","m21","m23","10.1107/S0108270111053182","","","0.71073","MoKα","","0.0539","0.0398","","","0.0836","0.0886","","","","","","0.912","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018342","11.674","0.002","33.336","0.006","11.816","0.002","90","","91.479","0.003","90","","4596.8","1.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl","","- C66 H46 -","- C66 H46 -","- C264 H184 -","4","1","EG3079","Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","Acta Crystallographica Section C","2012","68","1","o23","o27","10.1107/S0108270111051900","","","0.71073","MoKα","","0.0701","0.0432","","","0.0949","0.1065","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018343","19.7494","0.0009","6.1217","0.0003","20.4762","0.001","90","","109.754","0.002","90","","2329.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","","- C66 H42 F4 -","- C66 H42 F4 -","- C132 H84 F8 -","2","0.5","EG3079","Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","Acta Crystallographica Section C","2012","68","1","o23","o27","10.1107/S0108270111051900","","","0.71073","MoKα","","0.0454","0.0394","","","0.1064","0.1121","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018344","10.0449","0.0002","7.5527","0.0001","24.3945","0.0005","90","","97.538","0.001","90","","1834.72","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-(furan-2-carbonyl)thiourea","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","FA3263","Pérez, Hiram; Corrêa, Rodrigo S.; Plutín, Ana María; O'Reilly, Beatriz; Andrade, Marcelo B.","Probing the relationships between molecular conformation and intermolecular contacts in <i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-(furan-2-carbonyl)thiourea","Acta Crystallographica Section C","2012","68","1","o19","o22","10.1107/S0108270111052620","","","0.71073","MoKα","","0.0817","0.045","","","","0.1238","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018345","8.0466","0.0001","13.815","0.0002","15.3621","0.0002","87.739","0.001","89.48","0.001","79.033","0.001","1675.21","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-1κ<i>N</i>)[μ-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 1:2κ^2^<i>S</i>:<i>S</i>][1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 2κ<i>S</i>]bis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato)- 1:2κ^2^<i>S</i>^3^:<i>N</i>;1:2κ^2^<i>S</i>^3^:<i>S</i>^3^- dicopper(I)(<i>Cu</i>—<i>Cu</i>)","","- C30 H23 Cu2 N7 O4 S6 -","- C30 H23 Cu2 N7 O4 S6 -","- C60 H46 Cu4 N14 O8 S12 -","2","1","FN3087","Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W.","The conformations of two copper(I) complexes of 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione and thiosaccharinate","Acta Crystallographica Section C","2012","68","1","m12","m16","10.1107/S0108270111052036","","","0.71073","MoKα","","0.0622","0.0362","","","0.1136","0.1183","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018346","13.2395","0.0012","10.2731","0.001","29.536","0.015","90","","93.135","0.016","90","","4011","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 1:2κ^2^<i>S</i>:<i>S</i>]bis[1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione]- 1κ<i>S</i>;2κ<i>S</i>-bis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato)- 1:2κ^2^<i>S</i>^3^:<i>N</i>;1:2κ^2^<i>S</i>^3^:<i>S</i>^3^- dicopper(I)(<i>Cu</i>—<i>Cu</i>)","","- C35 H26 Cu2 N8 O4 S7 -","- C35 H26 Cu2 N8 O4 S7 -","- C140 H104 Cu8 N32 O16 S28 -","4","1","FN3087","Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W.","The conformations of two copper(I) complexes of 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione and thiosaccharinate","Acta Crystallographica Section C","2012","68","1","m12","m16","10.1107/S0108270111052036","","","0.71073","MoKα","","0.1385","0.0672","","","0.1249","0.1537","","","","","","1.01","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018347","11.6031","0.0003","12.6132","0.0003","24.5118","0.0006","87.706","0.002","82.025","0.002","76.356","0.002","3452.31","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-tetraphenylporphyrin-21,23-diium dichloride chloroform octasolvate","","- C52 H40 Cl26 N4 -","- C52.002 H40.002 Cl26.006 N4 -","- C104.004 H80.004 Cl52.012 N8 -","2","1","FN3092","Aparici Plaza, Luis; Chojnacki, Jaroslaw","Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts","Acta Crystallographica Section C","2012","68","1","m24","m28","10.1107/S0108270111054102","","","0.71073","MoKα","","0.122","0.095","","","0.2435","0.2605","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018348","14.5813","0.0012","8.6068","0.0005","14.6191","0.0011","90","","118.56","0.01","90","","1611.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5,10,15,20-tetraphenylporphyrinato)copper(II)","","- C44 H28 Cu N4 -","- C44 H28 Cu N4 -","- C88 H56 Cu2 N8 -","2","0.5","FN3092","Aparici Plaza, Luis; Chojnacki, Jaroslaw","Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts","Acta Crystallographica Section C","2012","68","1","m24","m28","10.1107/S0108270111054102","","","0.71073","MoKα","","0.0729","0.052","","","0.1376","0.1474","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018349","5.886","0.0001","11.2117","0.0003","17.0754","0.0004","90","","95.945","0.0015","90","","1120.78","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[μ~3~-succinato-calcium(II)]","","- C4 H4 Ca O4 -","- C4 H4 Ca O4 -","- C32 H32 Ca8 O32 -","8","2","KU3053","Mazaj, Matjaz; Kaucic, Venceslav; Golobic, Amalija; Zabukovec Logar, Natasa","A new layered Ca‒succinate coordination polymer","Acta Crystallographica Section C","2012","68","1","m4","m6","10.1107/S0108270111051559","","","0.71073","MoKα","","0.0446","0.0348","","","0.0996","0.1086","","","","","","0.993","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018350","5.3702","0.0001","27.9903","0.0004","8.8811","0.0001","90","","90","","90","","1334.95","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","lead(II) dicalcium octaaluminate","","- Al8 Ca2 O15 Pb -","- Al8 Ca2 O15 Pb -","- Al32 Ca8 O60 Pb4 -","4","0.5","LG3070","Artner, Christine; Weil, Matthias","PbCa~2~[Al~8~O~15~] with a novel three-dimensional aluminate anion","Acta Crystallographica Section C","2012","68","1","i1","i3","10.1107/S0108270111054679","","","0.71073","MoKα","","0.0289","0.0242","","","0.0582","0.0597","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018351","9.251","0.003","6.7748","0.0017","13.256","0.004","90","","93.196","0.008","90","","829.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0822","0.0507","","","0.1211","0.1333","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018352","9.0551","0.0019","6.7287","0.0014","13.12","0.003","90","","92.6","0.002","90","","798.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0715","0.0651","","","0.1725","0.1801","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018353","9.0551","0.0019","6.7287","0.0014","13.12","0.003","90","","92.6","0.002","90","","798.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0635","0.058","","","0.1578","0.164","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018354","6.6765","0.0003","10.9615","0.0005","14.1513","0.0007","102.309","0.001","95.097","0.001","91.581","0.001","1006.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine- 2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate","","- C28 H38.68 Mn4 N4 O33.34 -","- C28 H38.676 Mn4 N4 O33.338 -","- C28 H38.676 Mn4 N4 O33.338 -","1","0.5","QS3009","Mirzaei, M.; Lippolis, V.; Eshtiagh-Hosseini, H.; Mahjoobizadeh, M.","Decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal‒organic framework based on a tetranuclear Mn^II^ complex of chelidamic acid and undecameric stitching water clusters","Acta Crystallographica Section C","2012","68","1","m7","m11","10.1107/S0108270111050293","","","0.71073","MoKα","","0.046","0.0355","","","0.0893","0.0955","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018355","10.6655","0.0002","12.6641","0.0002","19.5145","0.0004","90","","90","","90","","2635.8","0.08","160","1","160","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)","","- C27 H36 Au Cl N2 -","- C27 H36 Au Cl N2 -","- C108 H144 Au4 Cl4 N8 -","4","0.5","SK3424","Linden, Anthony; de Haro, Teresa; Nevado, Cristina","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)","Acta Crystallographica Section C","2012","68","1","m1","m3","10.1107/S0108270111051365","","","0.71073","MoKα","","0.0474","0.0241","","","0.0427","0.0504","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018356","7.5935","0.0006","10.8712","0.0009","12.8862","0.0012","95.794","0.007","100.349","0.007","92.125","0.007","1039.45","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tizanidine","5-chloro-<i>N</i>-(imidazolidin-2-ylidene)-2,1,3-benzothiadiazol-4-amine","","- C9 H8 Cl N5 S -","- C9 H8 Cl N5 S -","- C36 H32 Cl4 N20 S4 -","4","2","SK3425","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael","Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine","Acta Crystallographica Section C","2012","68","1","o28","o32","10.1107/S0108270111052012","","","0.71073","MoKα","","0.0321","0.0285","","","0.0745","0.0762","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018357","8.5321","0.0007","14.0679","0.0009","10.1266","0.0008","90","","105.856","0.006","90","","1169.24","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tizanidine hydrochloride","2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]imidazolidinium chloride","","- C9 H9 Cl2 N5 S -","- C9 H9 Cl2 N5 S -","- C36 H36 Cl8 N20 S4 -","4","1","SK3425","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael","Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine","Acta Crystallographica Section C","2012","68","1","o28","o32","10.1107/S0108270111052012","","","0.71073","MoKα","","0.046","0.0323","","","0.0759","0.0801","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018358","13.7878","0.0014","22.892","0.002","4.6367","0.0005","90","","90","","90","","1463.5","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-xylopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C48 H88 O40 -","4","1","TP3005","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Disorder and conformational analysis of methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section C","2012","68","1","o7","o11","10.1107/S0108270111048347","","","1.2399","synchrotron","","0.0813","0.0671","","","0.1536","0.1583","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018359","16.784","0.003","9.638","0.0008","21.699","0.004","90","","108.82","0.012","90","","3322.5","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Chloro-3-methyl-1,4-diphenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H14 Cl N3 O -","- C20 H14 Cl N3 O -","- C160 H112 Cl8 N24 O8 -","8","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.065","0.0404","","","0.0875","0.0997","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018360","8.2898","0.0008","9.9191","0.0014","10.3666","0.001","87.108","0.011","86.808","0.008","85.088","0.012","847.08","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-3-methyl-4-(4-methylphenyl)-1-phenyl- pyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C21 H16 Cl N3 O -","- C21 H16 Cl N3 O -","- C42 H32 Cl2 N6 O2 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0977","0.0502","","","0.1077","0.1297","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018361","20.868","0.003","9.603","0.004","16.924","0.009","90","","90","","90","","3391","2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","6-Chloro-4-(4-chlorophenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Cl2 N3 O -","- C20 H13 Cl2 N3 O -","- C160 H104 Cl16 N24 O8 -","8","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.1057","0.0526","","","0.1187","0.1468","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018362","9.3826","0.0011","9.7781","0.0012","10.1072","0.0006","108.077","0.01","99.353","0.009","90.911","0.01","867.61","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-(4-bromophenyl)-6-chloro-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Br Cl N3 O -","- C20 H13 Br Cl N3 O -","- C40 H26 Br2 Cl2 N6 O2 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0579","0.036","","","0.0701","0.0774","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018363","8.6972","0.0008","10.039","0.002","10.09","0.002","85.23","0.02","80.856","0.016","86.665","0.016","865.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-4-(4-methoxyphenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C42 H32 Cl2 N6 O4 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0504","0.0363","","","0.083","0.0901","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018364","11.7839","0.0013","9.989","0.0004","15.71","0.02","90","","106.084","0.008","90","","1777","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-3-methyl-4-(4-nitrophenyl)-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Cl N4 O3 -","- C20 H13 Cl N4 O3 -","- C80 H52 Cl4 N16 O12 -","4","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0787","0.048","","","0.1144","0.1339","","","","","","1.085","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018365","7.3047","0.0006","8.466","0.0007","11.7559","0.001","95.747","0.001","103.926","0.001","107.716","0.001","660.25","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","bis(2-ethyl-6-methyl-3-hydroxypyridinium) butanedioate‒butanedioic acid (1/1)","bis(2-ethyl-6-methyl-3-hydroxypyridinium) succinate‒succinic acid (1/1)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","YF3010","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V.","Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol","Acta Crystallographica Section C","2012","68","1","o33","o36","10.1107/S0108270111054692","","","0.71073","MoKα","","0.0556","0.0452","","","0.1191","0.1283","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018366","11.4951","0.0002","12.4787","0.0002","9.1986","0.0001","90","","93.886","0.001","90","","1316.45","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ethyl-6-methyl-3-hydroxypyridinium hydrogen succinate","2-ethyl-6-methyl-3-hydroxypyridinium 3-carboxypropionate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","YF3010","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V.","Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol","Acta Crystallographica Section C","2012","68","1","o33","o36","10.1107/S0108270111054692","","","0.71073","MoKα","","0.0569","0.0469","","","0.1298","0.1405","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018367","7.3434","0.0002","7.9884","0.0002","12.7593","0.0004","96.497","0.002","92.783","0.002","101.303","0.001","727.33","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrazinium salicylate, salicylic acid adduct","hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1)","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","BI3027","Arunadevi, N.; Devipriya, S.; Vairam, S.","The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","Acta Crystallographica Section C","2012","68","2","o61","o64","10.1107/S0108270111054722","","","0.71073","MoKα","","0.0604","0.0414","","","0.1083","0.1231","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018368","7.376","0.005","7.915","0.005","16.778","0.005","89.248","0.005","86.963","0.005","100.609","0.005","961.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrazinium 3-hydroxy-2-naphthoate-3-hydroxy-2-naphthoic acid","hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","BI3027","Arunadevi, N.; Devipriya, S.; Vairam, S.","The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","Acta Crystallographica Section C","2012","68","2","o61","o64","10.1107/S0108270111054722","","","0.71073","MoKα","","0.0498","0.0373","","","0.105","0.1166","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018369","14.4531","0.0004","34.6885","0.0008","8.7114","0.0002","90","","90","","90","","4367.52","0.19","300","","298","","","","","","","","","4","P 21 21 2","P 2 2ab","18","clarithromycin","(3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>,11<i>S</i>, 12<i>R</i>,13<i>S</i>,14<i>S</i>)-6-{[(2<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)- 4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-hydroxy-4-methoxy-4,6- dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","CU3008","Noguchi, Shuji; Miura, Keiko; Fujiki, Sadahiro; Iwao, Yasunori; Itai, Shigeru","Clarithromycin form I determined by synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2012","68","2","o41","o44","10.1107/S0108270111054230","powder diffraction","","1.3","synchrotron","","0.04213","","","","","","","","3.703","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018370","9.2884","0.0003","11.4181","0.0003","4.9018","0.0001","90","","90.597","0.002","90","","519.84","0.02","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","lithium iron tungstate","","- Fe Li O8 W2 -","- Fe Li O8 W2 -","- Fe4 Li4 O32 W8 -","4","0.5","FA3264","Albino, Marjorie; Pechev, Stanislav; Veber, Philippe; Velazquez, Matias; Josse, Michael","Cation ordering in the double tungstate LiFe(WO~4~)~2~","Acta Crystallographica Section C","2012","68","2","i7","i8","10.1107/S0108270111053832","","","0.71073","MoKα","","","0.0177","","","","0.0413","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018371","7.6075","0.0003","10.1342","0.0007","11.9062","0.0006","73.805","0.005","81.35","0.004","75.891","0.005","851.55","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Fe N2 O3 -","- C19 H18 Fe N2 O3 -","- C38 H36 Fe2 N4 O6 -","2","1","FA3265","Stevanović, Dragana; Pejović, Anka; Novaković, Sladjana B.; Bogdanović, Goran A.; Divjaković, Vladimir; Vukićević, Rastko D.","A new polymorph of 1-ferrocenyl-3-(3-nitroanilino)propan-1-one","Acta Crystallographica Section C","2012","68","2","m37","m40","10.1107/S0108270112000765","","","0.71073","MoKα","","0.0562","0.0418","","","0.0831","0.0911","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018372","12.296","0.002","13.054","0.003","12.308","0.003","90","","101.33","0.01","90","","1937.1","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-(pyridin-1-ium-3,5-diyl)diphosphonato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>''][μ~2~-(pyridin-1-ium-3,5- diyl)diphosphonato-κ^2^<i>O</i>:<i>O</i>']calcium(II)]","","- C10 H14 Ca N2 O13 P4 -","- C10 H14 Ca N2 O13 P4 -","- C40 H56 Ca4 N8 O52 P16 -","4","1","GG3267","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","Poly[aqua[μ~3~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''][μ~2~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^2^<i>O</i>:<i>O</i>']calcium(II)]","Acta Crystallographica Section C","2012","68","2","m41","m44","10.1107/S0108270112001461","","","0.71073","MoKα","","0.1133","0.0442","","","0.0548","0.0631","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018373","9.7979","0.0007","10.0424","0.0008","36.052","0.003","90","","90","","90","","3547.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-phenylacetato- κ^2^<i>O</i>:<i>O</i>'] phenylacetate]","","- C16 H22 Mg O8 -","- C16 H22 Mg O8 -","- C128 H176 Mg8 O64 -","8","2","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.6884","synchrotron","","0.0506","0.037","","","0.088","0.0956","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018374","29.2249","0.001","6.6941","0.0003","17.8109","0.0005","90","","92.52","0.002","90","","3481.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[diaqua(phenylacetato-κ^2^<i>O</i>,<i>O</i>')calcium(II)]- μ~3~-phenylacetato-1':1:1''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'] monohydrate]","","- C16 H20 Ca O7 -","- C16 H20 Ca O7 -","- C128 H160 Ca8 O56 -","8","1","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.71073","MoKα","","0.0897","0.0422","","","0.0858","0.1027","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018375","29.5111","0.0015","6.856","0.0005","17.7229","0.0011","90","","93.453","0.003","90","","3579.3","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[diaqua(phenylacetato- κ^2^<i>O</i>,<i>O</i>')strontium(II)]- μ~3~-phenylacetato-1':1:1''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'] monohydrate]","","- C16 H20 O7 Sr -","- C16 H20 O7 Sr -","- C128 H160 O56 Sr8 -","8","1","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.71073","MoKα","","0.0421","0.0265","","","0.0587","0.0652","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018376","10.6277","0.0012","7.4514","0.0008","28.293","0.003","90","","95.603","0.009","90","","2229.9","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)imidazolidin-3-ium iodide salt","","- C24 H29 Fe I N2 -","- C24 H29 Fe I N2 -","- C96 H116 Fe4 I4 N8 -","4","2","KY3008","Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir","1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)","Acta Crystallographica Section C","2012","68","2","m48","m52","10.1107/S0108270112000601","","","0.71073","MoKα","","0.0544","0.0362","","","0.0592","0.0635","","","","","","0.844","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018377","9.5185","0.0016","11.7851","0.0017","17.569","0.002","90","","92.835","0.012","90","","1968.4","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin- 2-ylidene)diiodidopalladium(II)","","- C42 H44 Fe2 I2 N4 Pd -","- C42 H44 Fe2 I2 N4 Pd -","- C84 H88 Fe4 I4 N8 Pd2 -","2","0.5","KY3008","Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir","1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)","Acta Crystallographica Section C","2012","68","2","m48","m52","10.1107/S0108270112000601","","","0.71073","MoKα","","0.1036","0.0459","","","0.0774","0.0905","","","","","","0.847","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018378","8.804","0.0003","10.422","0.0004","14.089","0.0006","86.418","0.002","75.889","0.0019","83.016","0.002","1243.71","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","anilinium dihydrogen phosphate","","- C6 H10 N O4 P -","- C6 H10 N O4 P -","- C36 H60 N6 O24 P6 -","6","3","LG3072","Kaman, Ondřej; Smrčok, Ľubomír; Gyepes, Róbert; Havlíček, David","Anilinium dihydrogen phosphate","Acta Crystallographica Section C","2012","68","2","o57","o60","10.1107/S0108270111054874","","","0.71073","MoKα","","0.1119","0.0508","","","0.1172","0.1441","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018379","5.9679","0.0003","9.0041","0.0006","23.1424","0.0015","90","","91.63","0.01","90","","1243.07","0.13","185.15","","185.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","chloroform‒dimethyl sulfoxide (2/1)","dimethyl sulfoxide‒trichloromethane (1/2)","","- C4 H8 Cl6 O S -","- C4 H8 Cl6 O S -","- C16 H32 Cl24 O4 S4 -","4","1","LG3074","Yufit, Dmitry S.; Howard, Judith A. K.","Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane","Acta Crystallographica Section C","2012","68","2","o37","o40","10.1107/S0108270111056265","","","0.71073","MoKα","","0.0284","0.0223","","","0.0521","0.0555","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018380","6.68","0.0012","7.7862","0.0013","8.0017","0.0015","78.019","0.01","80.008","0.01","65.665","0.01","369.13","0.12","167","","167","","","","","","","","","5","P -1","-P 1","2","dichloromethane‒dimethyl sulfoxide (1/1)","dichloromethane‒dimethyl sulfoxide (1/1)","","- C3 H8 Cl2 O S -","- C3 H8 Cl2 O S -","- C6 H16 Cl4 O2 S2 -","2","1","LG3074","Yufit, Dmitry S.; Howard, Judith A. K.","Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane","Acta Crystallographica Section C","2012","68","2","o37","o40","10.1107/S0108270111056265","","","0.71073","MoKα","","0.055","0.0398","","","0.1036","0.113","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018381","10.412","0.002","11.994","0.003","7.1077","0.0017","90","","90.743","0.004","90","","887.5","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Pyridone‒terephthalic acid‒water (2/1/2)","","- C18 H20 N2 O8 -","- C18 H20 N2 O8 -","- C36 H40 N4 O16 -","2","0.5","MX3062","Staun, Selena L.; Oliver, Allen G.","4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate","Acta Crystallographica Section C","2012","68","2","o84","o87","10.1107/S0108270111055260","","","0.71073","MoKα","","0.0754","0.0463","","","0.0916","0.1037","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018382","4.9245","0.0004","15.7128","0.0014","10.3256","0.0009","90","","98.386","0.005","90","","790.43","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(3-hydroxypyridinium) terephthalate","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C36 H32 N4 O12 -","2","0.5","MX3062","Staun, Selena L.; Oliver, Allen G.","4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate","Acta Crystallographica Section C","2012","68","2","o84","o87","10.1107/S0108270111055260","","","0.71073","MoKα","","0.0401","0.0343","","","0.0894","0.0943","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018383","10.022","0.002","22.316","0.005","10.316","0.002","90","","116.51","0.03","90","","2064.6","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,3-bis(pyridin-4-yl)propane](μ~3~-1,4-phenylenediacetato)cadmium]","","- C23 H22 Cd N2 O4 -","- C23 H22 Cd N2 O4 -","- C92 H88 Cd4 N8 O16 -","4","1","QS3010","Liu, Dong","Poly[[μ~2~-1,3-bis(pyridin-4-yl)propane](μ~3~-1,4-phenylenediacetato)cadmium]","Acta Crystallographica Section C","2012","68","2","m34","m36","10.1107/S0108270111055454","","","0.71073","MoKα","","0.068","0.0469","","","0.0909","0.0992","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018384","7.4673","0.0004","10.4338","0.0005","12.9911","0.0006","86.215","0.004","79.611","0.004","78.588","0.004","975.41","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","phenyl bis(2-chlorobenzylamido)phosphinate","","- C20 H19 Cl2 N2 O2 P -","- C20 H19 Cl2 N2 O2 P -","- C40 H38 Cl4 N4 O4 P2 -","2","1","SF3159","Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh","The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group","Acta Crystallographica Section C","2012","68","2","o51","o56","10.1107/S0108270111052097","","","0.71073","MoKα","","0.0395","0.0286","","","0.0722","0.0741","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018385","4.886","0.0008","12.192","0.002","15.838","0.003","103.714","0.017","94.636","0.015","96.099","0.015","905.9","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(2-chlorobenzyl)-<i>N</i>''-(2,2,2- trifluoroacetyl)phosphoric triamide","","- C16 H15 Cl2 F3 N3 O2 P -","- C16 H15 Cl2 F3 N3 O2 P -","- C32 H30 Cl4 F6 N6 O4 P2 -","2","1","SF3159","Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh","The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group","Acta Crystallographica Section C","2012","68","2","o51","o56","10.1107/S0108270111052097","","","0.71073","MoKα","","0.0703","0.0375","","","0.075","0.0796","","","","","","0.81","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018386","7.027","0.002","20.776","0.005","8.949","0.002","90","","91.06","0.01","90","","1306.3","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","SF3160","Belandria, Lusbely M.; Mora, Asiloé J.; Delgado, Gerzon E.; Briceño, Alexander","4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate","Acta Crystallographica Section C","2012","68","2","o88","o91","10.1107/S0108270111054977","","","0.71073","MoKα","","0.0658","0.0499","","","0.1256","0.1388","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018387","7.6148","0.0005","8.5592","0.0006","9.3406","0.0006","90","","90","","90","","608.79","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydantoin-5-acetic acid","2-(2,5-dioxoimidazolidin-4-yl)acetic acid","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0309","0.0247","","","0.0537","0.055","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018388","9.371","0.0006","5.9752","0.0003","17.8433","0.0013","90","","97.447","0.006","90","","990.68","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","orotic acid dimethyl sulfoxide monosolvate","2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid dimethyl sulfoxide monosolvate","","- C7 H10 N2 O5 S -","- C7 H10 N2 O5 S -","- C28 H40 N8 O20 S4 -","4","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0539","0.0321","","","0.0672","0.0715","","","","","","0.909","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018389","8.111","0.001","8.9503","0.0011","11.6804","0.0015","112.366","0.003","97.263","0.002","104.621","0.002","734.94","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","dimethylammonium orotate‒orotic acid (1/1)","dimethylammonium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","","- C12 H15 N5 O8 -","- C12 H15 N5 O8 -","- C24 H30 N10 O16 -","2","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.1418","0.0608","","","0.0859","0.1041","","","","","","0.86","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018390","7.0176","0.0014","18.026","0.004","12.906","0.003","90","","94.94","0.03","90","","1626.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","dimethylammonium orotate‒orotic acid (3/1)","tris(dimethylammonium) tris(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate) 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","","- C26 H37 N11 O16 -","- C26 H37 N11 O16 -","- C52 H74 N22 O32 -","2","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0809","0.0649","","","0.1549","0.1687","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018391","7.8761","0.0002","12.7102","0.0004","11.9438","0.0003","90","","98.189","0.003","90","","1183.46","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","eldoral","5-ethyl-5-(piperidin-1-yl)-1,3-diazinane-2,4,6-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","1.5418","CuKα","","0.0481","0.0442","","","0.1228","0.1258","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018392","11.9311","0.0003","15.9858","0.0004","13.0768","0.0003","90","","106.799","0.001","90","","2387.68","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","eldoral","5-ethyl-5-(piperidin-1-yl)-1,3-diazinane-2,4,6-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C88 H136 N24 O24 -","8","2","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","0.71073","MoKα","","0.0852","0.0634","","","0.1281","0.1395","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018393","11.827","0.0003","16.1719","0.0004","18.6774","0.0005","90","","90","","90","","3572.33","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethylammonium 5-ethyl-2,4,6-trioxo-5-(piperidin-1-yl)-1,3-diazinan-1-ide","","- C15 H28 N4 O3 -","- C15 H28 N4 O3 -","- C120 H224 N32 O24 -","8","1","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","1.5418","CuKα","","0.0379","0.0345","","","0.0937","0.0966","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018394","6.6567","0.0003","6.995","0.0003","16.2875","0.0007","90","","97.467","0.004","90","","751.97","0.06","119.8","","119.8","","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea hydrogen fluorophosphonate","2-carbamoylguanidinium hydrogen fluorophosphonate","","- C2 H8 F N4 O4 P -","- C2 H8 F N4 O4 P -","- C8 H32 F4 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0506","0.0491","","","0.1154","0.1165","","","","","","2.31","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018395","6.6648","0.0002","6.9435","0.0002","16.2924","0.0004","90","","97.185","0.003","90","","748.04","0.04","120","0.14","120","14","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)~0.76~ (hydrogen phosphite)~0.24~","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.76/0.24)","","- C2 H8.24 F0.76 N4 O4 P -","- C2 H8.24 F0.76 N4 O4 P -","- C8 H32.96 F3.04 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0508","0.0503","","","0.1137","0.1139","","","","","","2.96","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018396","6.67841","0.00016","6.78864","0.00013","16.2696","0.0004","90","","96.588","0.002","90","","732.75","0.03","119.9","0.2","119.9","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)0.115 (hydrogen phosphite)0.885","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.115/0.885)","","- C2 H8.885 F0.115 N4 O4 P -","- C2 H8.885 F0.115 N4 O4 P -","- C8 H35.54 F0.46 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0194","0.0191","","","0.0466","0.0468","","","","","","1.27","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018397","6.67722","0.00016","6.8083","0.0002","16.2809","0.0004","90","","96.644","0.002","90","","735.17","0.03","119.9","0.3","119.9","0.3","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)0.184 (hydrogen phosphite)0.816","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.184/0.816)","","- C2 H8.816 F0.184 N4 O4 P -","- C2 H8.816 F0.184 N4 O4 P -","- C8 H35.264 F0.736 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0226","0.0225","","","0.0559","0.0561","","","","","","1.79","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018398","12.2788","0.0001","17.4866","0.0002","6.6851","0.0001","90","","90","","90","","1435.39","0.03","120","0.14","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C16 H72 F4 N32 O28 P4 -","4","0.5","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.0361","0.0335","","","0.0854","0.0862","","","","","","2.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018399","6.5362","0.0003","16.6485","0.0006","26.1629","0.0015","90","","90","","90","","2847","0.2","120","0.14","120","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C32 H144 F8 N64 O56 P8 -","8","1","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.1766","0.0698","","","0.1388","0.1928","","","","","","1.43","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018400","4.9308","0.0003","32.364","0.002","5.4922","0.0004","90","","93.654","0.001","90","","874.67","0.1","173","2","173","2","","","","","","","","6","I 1 a 1","I -2ya","9","","2-ammonio-5-chloro-4-methylbenzenesulfonate","","- C7 H8 Cl N O3 S -","- C7 H8 Cl N O3 S -","- C28 H32 Cl4 N4 O12 S4 -","4","1","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0448","0.0395","","","0.091","0.0932","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018401","9.1917","0.0017","6.9457","0.0011","11.8265","0.0013","90","","105.538","0.007","90","","727.4","0.2","165","2","165","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","2-ammonio-5-chloro-4-methylbenzenesulfonate 1-methyl-2-pyrrolidone monosolvate","","- C12 H17 Cl N2 O4 S -","- C12 H17 Cl N2 O4 S -","- C24 H34 Cl2 N4 O8 S2 -","2","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0486","0.0367","","","0.0927","0.1005","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018402","6.0394","0.0012","9.4441","0.0014","11.8044","0.0016","71.078","0.011","89.466","0.016","81.207","0.017","628.83","0.19","167","2","167","2","","","","","","","","6","P -1","-P 1","2","","2-ammonio-5-chloro-4-methylbenzenesulfonate dimethyl sulfoxide monosolvate","","- C9 H14 Cl N O4 S2 -","- C9 H14 Cl N O4 S2 -","- C18 H28 Cl2 N2 O8 S4 -","2","1","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0616","0.036","","","0.0762","0.0811","","","","","","0.978","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018403","13.6306","0.0011","12.698","0.001","15.5907","0.0013","90","","90","","90","","2698.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","","- C24 H32 N6 O8 S2 -","- C24 H32 N6 O8 S2 -","- C96 H128 N24 O32 S8 -","4","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0533","0.0296","","","0.0624","0.0651","","","","","","0.871","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018404","7.6501","0.0009","8.9083","0.001","13.2509","0.0012","90","","123.086","0.005","90","","756.61","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[tetraamminecopper(II) bis[tris(μ~2~-cyanido- κ^2^<i>C</i>,<i>N</i>)dicuprate(I)]]","","- C6 H12 Cu5 N10 -","- C6 H12 Cu5 N10 -","- C12 H24 Cu10 N20 -","2","0.5","WQ3010","Jia, Li-Na; Hou, Lei","Poly[tetraamminecopper(II) bis[tris(μ~2~-cyanido-κ^2^<i>C</i>,<i>N</i>)dicuprate(I)]]: a unique Cu^I^‒Cu^II^ mixed-valence complex containing anionic cuprous cyanide layers and [Cu(NH~3~)~4~]^2+^ cations","Acta Crystallographica Section C","2012","68","2","m45","m47","10.1107/S0108270112002429","","","0.71073","MoKα","","0.0386","0.0327","","","0.0882","0.0943","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018405","27.065","0.004","3.8825","0.0003","15.683","0.002","90","","103.59","0.01","90","","1601.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","pentalead octaindium dibismuth icosasulfide","","- Bi1.62 In8.38 Pb5 S20 -","- Bi1.622 In8.378 Pb5 S20 -","- Bi3.244 In16.756 Pb10 S40 -","2","0.5","BI3029","Reis, I.; Krämer, V.; Seiler, A.; Topa, D.; Keller, E.","Pb~5.0(1)~In~8.4(1)~Bi~1.6(1)~S~20~, a new quaternary lead indium bismuth sulfide","Acta Crystallographica Section C","2012","68","3","i12","i16","10.1107/S0108270112001011","","","0.71073","MoKα","","0.0407","0.0337","","","0.0849","0.0881","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018406","11.0737","0.0011","18.0705","0.0017","20.1156","0.0019","90","","90","","90","","4025.3","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5- diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","","- C17 H21 N3 O7 U -","- C17 H21 N3 O7 U -","- C136 H168 N24 O56 U8 -","8","1","BI3033","Raspertova, Ilona; Doroschuk, Roman; Khomenko, Dmytro; Lampeka, Rostislav","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","Acta Crystallographica Section C","2012","68","3","m61","m63","10.1107/S0108270112003034","","","0.71073","MoKα","","0.0424","0.0271","","","0.0559","0.0614","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018407","16.6542","0.0016","12.2529","0.0012","13.141","0.0012","90","","101.577","0.009","90","","2627","0.4","169","2","169","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","loperamide hydrochloride anhydrate","1-[3-(dimethylcarbamoyl)-3,3-diphenylpropyl]-4-hydroxy- 4-(4-methylphenyl)piperidin-1-ium chloride","","- C29 H34 Cl2 N2 O2 -","- C29 H34 Cl2 N2 O2 -","- C116 H136 Cl8 N8 O8 -","4","1","BI3035","Brüning, Jürgen; Podgorski, Dragica; Alig, Edith; Bats, Jan W.; Schmidt, Martin U.","Antidiarrhetic loperamide hydrochloride","Acta Crystallographica Section C","2012","68","3","o111","o113","10.1107/S010827011200443X","","","0.71073","MoKα","","0.0645","0.0403","","","0.0871","0.0937","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018408","15.574","0.003","16.197","0.003","16.928","0.003","90","","109.21","0.03","90","","4032.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~- pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5- dicarboxylato)tetracadmium(II)] dihydrate]","","- C35 H26 Cd4 N10 O15 -","- C35 H26 Cd4 N10 O15 -","- C140 H104 Cd16 N40 O60 -","4","1","DT3011","Fan, Chunhua; Yue, Yanfeng; Lu, Zhengliang","A novel three-dimensional Cd^II^ coordination polymer: poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~-pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]","Acta Crystallographica Section C","2012","68","3","m76","m79","10.1107/S0108270112005525","","","0.71073","MoKα","","0.0332","0.0296","","","0.107","0.1125","","","","","","1.082","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018409","20.5281","0.0015","8.1474","0.0003","9.9637","0.0004","90","","90","","90","","1666.44","0.15","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","Trimethylurea","","- C4 H10 N2 O -","- C4 H10 N2 O -","- C48 H120 N24 O12 -","12","1.5","EG3085","Döring, Cindy; Taouss, Christina; Jones, Peter G.","Trimethylurea","Acta Crystallographica Section C","2012","68","3","o108","o110","10.1107/S0108270112005495","","","0.71073","MoKα","","0.0325","0.0312","","","0.0864","0.0874","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018410","17.3662","0.0008","17.3662","0.0008","11.4425","0.001","90","","90","","120","","2988.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","poly[ammine-μ~3~-malonato-cadmium(II)]","","- C3 H5 Cd N O4 -","- C3 H5 Cd N O4 -","- C54 H90 Cd18 N18 O72 -","18","1","FA3269","Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di","A novel three-dimensional Cd^II^ metal‒organic framework based on [Cd~6~(malonate)~6~] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ~3~-malonato-cadmium(II)]","Acta Crystallographica Section C","2012","68","3","m57","m60","10.1107/S0108270112003277","","","0.71073","MoKα","","0.0146","0.0139","","","0.0349","0.0354","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018411","8.214","0.0009","11.0624","0.0012","12.1981","0.0013","94.242","0.013","108.319","0.013","102.609","0.013","1014.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole","","- C11 H18 N2 -","- C11 H18 N2 -","- C44 H72 N8 -","4","2","FG3241","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole and its amide derivative 1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","Acta Crystallographica Section C","2012","68","3","o119","o122","10.1107/S0108270112007603","","","0.71073","MoKα","","0.0757","0.0414","","","0.0927","0.1002","","","","","","0.85","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018412","7.0746","0.0006","8.1309","0.0007","11.125","0.0009","89.325","0.007","88.878","0.007","68.222","0.006","594.15","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","","- C13 H20 N2 O -","- C13 H20 N2 O -","- C26 H40 N4 O2 -","2","1","FG3241","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole and its amide derivative 1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","Acta Crystallographica Section C","2012","68","3","o119","o122","10.1107/S0108270112007603","","","0.71073","MoKα","","0.0801","0.0619","","","0.1423","0.1518","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018413","15.53","0.002","11.2539","0.0017","26.375","0.003","90","","100.024","0.009","90","","4539.3","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20- tris(pentafluorophenyl)porphyrin","","- C48 H20 F19 N4 O3 P -","- C48 H20 F19 N4 O3 P -","- C192 H80 F76 N16 O12 P4 -","4","1","GG3269","Pereira, Carla F.; Fernandes, José A.; Rodrigues, João M. M.; Vilela, Sérgio M. F.; Tomé, João P. C.; Almeida Paz, Filipe A.","5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20-tris(pentafluorophenyl)porphyrin","Acta Crystallographica Section C","2012","68","3","o104","o107","10.1107/S0108270112002934","","","0.71073","MoKα","","0.1976","0.0844","","","0.1996","0.2714","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018414","7.5686","0.0001","8.2944","0.0002","26.425","0.0007","90","","93.944","0.001","90","","1654.95","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II)","","- C15 H20 Cu N2 O4 -","- C15 H20 Cu N2 O4 -","- C60 H80 Cu4 N8 O16 -","4","1","KU3061","Perdih, Franc","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2012","68","3","m64","m68","10.1107/S0108270112004386","","","0.71073","MoKα","","0.0411","0.0371","","","","0.1063","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018415","7.5686","0.0003","8.3504","0.0003","25.6871","0.001","90","","93.081","0.001","90","","1621.1","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","","- C14 H19 Cu N3 O4 -","- C14 H19 Cu N3 O4 -","- C56 H76 Cu4 N12 O16 -","4","1","KU3061","Perdih, Franc","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2012","68","3","m64","m68","10.1107/S0108270112004386","","","0.71073","MoKα","","0.041","0.0333","","","","0.0929","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018416","8.9484","0.0011","11.4743","0.0014","12.3985","0.0015","68.978","0.002","84.418","0.002","78.501","0.002","1164","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato- κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]","","- C17 H26 La N5 O9 -","- C17 H26 La N5 O9 -","- C34 H52 La2 N10 O18 -","2","1","KU3062","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]","Acta Crystallographica Section C","2012","68","3","m53","m56","10.1107/S0108270112002247","","","0.71073","MoKα","","0.0215","0.0211","","","0.0563","0.0567","","","","","","1.048","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018417","4.152","0.0008","12.603","0.003","11.657","0.002","90","","90","","90","","610","0.2","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","pentanickel tetratin zinc","","- Ni3.17 Sn2.67 Zn0.67 -","- Ni3.16 Sn2.66667 Zn0.666667 -","- Ni18.96 Sn16 Zn4 -","6","0.375","KU3063","Schmetterer, Clemens; Effenberger, Herta Silvia; Marker, Martin C. J.; Flandorfer, Hans","Ni~5-{δ~}Sn~4~Zn (δσim 0.25) from single-crystal data","Acta Crystallographica Section C","2012","68","3","i9","i11","10.1107/S0108270112000455","","","0.71073","MoKα","","0.0318","0.0258","","","0.0666","0.0705","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018418","5.25191","0.00012","12.2401","0.0003","21.4088","0.0005","90","","93.2353","0.0007","90","","1374.05","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nimustine hydrochloride","4-amino-5-({[<i>N</i>-(2-chloroethyl)-<i>N</i>-nitrosocarbamoyl]amino}methyl)- 2-methylpyrimidin-1-ium chloride","","- C9 H14 Cl2 N6 O2 -","- C9 H14 Cl2 N6 O2 -","- C36 H56 Cl8 N24 O8 -","4","1","LG3071","Bekö, Sándor L.; Urmann, David; Lakatos, Andrea; Glaubitz, Clemens; Schmidt, Martin U.","Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-<i>N</i>-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR","Acta Crystallographica Section C","2012","68","3","o144","o148","10.1107/S0108270112005252","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.1781","","","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018419","12.061","0.003","18.151","0.005","12.129","0.003","90","","93.403","0.005","90","","2650.6","1.2","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","dodecaaquadi-μ~3~-hydroxido-deca-μ~2~-hydroxido- octacosaoxidotetracobalt(II)dodecamolybdenum(V) dodecahydrate","","- Co4 H60 Mo12 O64 -","- Co4 Mo12 O64 -","- Co8 Mo24 O128 -","2","0.5","LG3073","Ellern, Arkady; Kögerler, Paul","[Co^II^~4~Mo^V^~12~O~28~(OH)~12~(H~2~O)~12~]·12H~2~O: facilitating single-crystal growth by deuteration","Acta Crystallographica Section C","2012","68","3","i17","i19","10.1107/S0108270112006014","","","0.71073","MoKα","","0.0644","0.047","","","0.1052","0.1125","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018420","7.5657","0.0009","9.9027","0.0012","7.5819","0.0009","90","","98.05","0.002","90","","562.45","0.12","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Diammonium carbonate peroxosolvate","Diammonium carbonate hydrogen peroxide monosolvate","","- C H10 N2 O5 -","- C H10 N2 O5 -","- C4 H40 N8 O20 -","4","1","LG3077","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia","Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds","Acta Crystallographica Section C","2012","68","3","i20","i24","10.1107/S0108270112006701","","","0.71073","MoKα","","0.0304","0.0288","","","0.0724","0.0736","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018421","17.82","0.002","5.9357","0.0008","16.888","0.002","90","","90","","90","","1786.3","0.4","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dicaesium carbonate triperoxosolvate","Dicaesium carbonate hydrogen peroxide trisolvate","","- C H6 Cs2 O9 -","- C H6 Cs2 O9 -","- C8 H48 Cs16 O72 -","8","1","LG3077","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia","Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds","Acta Crystallographica Section C","2012","68","3","i20","i24","10.1107/S0108270112006701","","","0.71073","MoKα","","0.0218","0.0184","","","0.0452","0.0467","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018422","7.9011","0.001","11.4482","0.0015","12.4541","0.0012","90","","129.22","0.006","90","","872.74","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","formylcymantrene","tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I)","","- C9 H5 Mn O4 -","- C9 H5 Mn O4 -","- C36 H20 Mn4 O16 -","4","1","SF3162","Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions","Acta Crystallographica Section C","2012","68","3","m69","m72","10.1107/S0108270112005562","","","0.71073","MoKα","","0.0206","0.0195","","","0.0528","0.0534","","","","","","1.003","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018423","8.0768","0.0006","11.5037","0.0008","12.3457","0.0007","90","","127.86","0.003","90","","905.63","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","formylcyrhetrene","tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I)","","- C9 H5 O4 Re -","- C9 H5 O4 Re -","- C36 H20 O16 Re4 -","4","1","SF3162","Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions","Acta Crystallographica Section C","2012","68","3","m69","m72","10.1107/S0108270112005562","","","0.71073","MoKα","","0.0188","0.017","","","0.0407","0.0417","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018424","11.5083","0.0008","8.1027","0.0006","18.321","0.0016","90","","110.505","0.005","90","","1600.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-bromo-2-<i>exo</i>-(2-chlorophenyl)-2,3,4,5-tetrahydro- 1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H15 Br Cl N O -","- C20 H15 Br Cl N O -","- C80 H60 Br4 Cl4 N4 O4 -","4","1","SF3167","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>SR</i>)-7-Bromo-2-<i>exo</i>-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: sheets built by the π-stacking of hydrogen-bonded chains","Acta Crystallographica Section C","2012","68","3","o123","o125","10.1107/S0108270112004520","","","0.71073","MoKα","","0.0508","0.0337","","","0.0637","0.0685","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018425","8.6346","0.0005","21.6152","0.0012","13.6021","0.0008","90","","90","","90","","2538.7","0.3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","dichlorido-2κ^2^<i>Cl</i>-μ-oxido-κ^2^<i>O</i>:<i>O</i>-tetraoxido- 1κ^2^<i>O</i>,2κ^2^<i>O</i>-[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- 1κ<i>N</i>^2^)methane]dimolybdenum(IV) acetonitrile monosolvate","","- C18 H25 Cl2 Mo2 N7 O5 -","- C18 H25 Cl2 Mo2 N7 O5 -","- C72 H100 Cl8 Mo8 N28 O20 -","4","0.5","SK3427","Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane","Acta Crystallographica Section C","2012","68","3","m73","m75","10.1107/S0108270112004507","","","0.71073","MoKα","","0.0459","0.0381","","","0.1075","0.1146","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018426","10.614","0.003","10.808","0.003","11.338","0.003","73.075","0.004","83.958","0.005","61.833","0.005","1096.2","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate","","- C29 H57 Dy2 N5 O23 -","- C29 H57 Dy2 N5 O23 -","- C29 H57 Dy2 N5 O23 -","1","0.5","SK3428","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue","Acta Crystallographica Section C","2012","68","3","m80","m84","10.1107/S0108270112007263","","","0.71073","MoKα","","0.0186","0.0182","","","0.0454","0.0456","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018427","10.633","0.003","10.847","0.003","11.397","0.003","73.126","0.004","83.926","0.004","61.784","0.005","1107.6","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)samarium(III)] adenine monosolvate heptahydrate","","- C29 H57 N5 O23 Sm2 -","- C29 H57 N5 O23 Sm2 -","- C29 H57 N5 O23 Sm2 -","1","0.5","SK3428","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue","Acta Crystallographica Section C","2012","68","3","m80","m84","10.1107/S0108270112007263","","","0.71073","MoKα","","0.0177","0.017","","","0.0424","0.0428","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018428","7.2248","0.0005","18.1447","0.0019","9.4504","0.0008","90","","94.279","0.006","90","","1235.42","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(5-nitrofuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0882","0.0478","","","0.1147","0.1385","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018429","27.141","0.004","5.4082","0.0007","17.2849","0.0018","90","","103.275","0.009","90","","2469.4","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-fluoro-2-<i>exo</i>-(1-methyl-1<i>H</i>-pyrrol-2-yl)-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C15 H15 F N2 O -","- C15 H15 F N2 O -","- C120 H120 F8 N16 O8 -","8","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1292","0.0532","","","0.1164","0.1483","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018430","5.5265","0.0005","10.6652","0.0019","20.905","0.004","90","","97.166","0.011","90","","1222.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-fluoro-2-<i>exo</i>-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1141","0.0576","","","0.1387","0.1754","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018431","9.272","0.002","10.9142","0.0013","12.963","0.002","90","","101.023","0.011","90","","1287.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-fluoro-2-<i>exo</i>-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O S -","- C15 H14 F N O S -","- C60 H56 F4 N4 O4 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0842","0.0499","","","0.1151","0.1346","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018432","9.2106","0.0016","10.906","0.002","13.4259","0.0013","90","","106.086","0.012","90","","1295.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-fluoro-2-<i>exo</i>-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O S -","- C15 H14 F N O S -","- C60 H56 F4 N4 O4 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.099","0.0481","","","0.0882","0.1062","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018433","10.2835","0.0013","5.4829","0.0003","23.428","0.002","90","","96.665","0.009","90","","1312","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-chloro-2-<i>exo</i>-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 Cl N O2 -","- C15 H14 Cl N O2 -","- C60 H56 Cl4 N4 O8 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1029","0.0523","","","0.1164","0.1429","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018434","5.5088","0.0006","10.7619","0.0017","13.1398","0.0019","110.011","0.01","98.797","0.01","92.271","0.012","719.8","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-<i>exo</i>-(5-methylfuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C16 H14 F3 N O3 -","- C16 H14 F3 N O3 -","- C32 H28 F6 N2 O6 -","2","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.144","0.0557","","","0.1141","0.147","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018435","16.234","0.003","5.6113","0.0005","16.665","0.003","90","","106.143","0.014","90","","1458.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(3-methylthiophen-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C16 H14 F3 N O2 S -","- C16 H14 F3 N O2 S -","- C64 H56 F12 N4 O8 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0718","0.0477","","","0.1125","0.1279","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018436","20.412","0.0015","7.369","0.0018","10.035","0.003","90","","103.091","0.015","90","","1470.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(5-nitrofuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro-1,4- epoxy-1<i>H</i>-1-benzazepine","","- C15 H11 F3 N2 O5 -","- C15 H11 F3 N2 O5 -","- C60 H44 F12 N8 O20 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1163","0.0619","","","0.1479","0.1827","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018437","7.9622","0.0002","14.3492","0.0004","14.6469","0.0004","90","","97.21","0.002","90","","1660.19","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol- 5(4<i>H</i>)-one","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","SK3431","Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech","1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2012","68","3","o141","o143","10.1107/S0108270112007597","","","0.71073","MoKα","","0.0502","0.0347","","","0.0824","0.0854","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018438","10.037","0.002","5.33","0.001","29.57","0.004","90","","90","","90","","1581.9","0.5","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","benzyl carbamate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","UK3041","Mata, Ignasi; Molins, Elies; Amat, Mercedes; Llor, Núria; Checa, Begoña","C—H···<i>X</i> (<i>X</i> = O, N or π) interactions in benzyl carbamate","Acta Crystallographica Section C","2012","68","3","o114","o118","10.1107/S0108270112003186","","","0.71073","MoKα","","0.1365","0.0761","","","0.1916","0.2331","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018439","9.2225","0.0004","11.2741","0.0005","13.0892","0.0005","90","","95.367","0.001","90","","1354.99","0.1","296","","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dimethyl (3,4-dichlorobenzoyl)carbonohydrazonodithioate","","- C10 H10 Cl2 N2 O S2 -","- C10 H10 Cl2 N2 O S2 -","- C40 H40 Cl8 N8 O4 S8 -","4","2","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.0372","0.0329","","","0.0879","0.0915","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018440","28.676","0.0011","10.3705","0.0003","14.7176","0.0006","90","","90.9","0.004","90","","4376.2","0.3","292","","292","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dibenzyl (3,4-dichlorobenzoyl)carbonohydrazonodithioate","","- C22 H18 Cl2 N2 O S2 -","- C22 H18 Cl2 N2 O S2 -","- C176 H144 Cl16 N16 O8 S16 -","8","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.0394","0.0303","","","0.0821","0.0843","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018441","8.9307","0.0004","9.0858","0.0007","10.3873","0.0005","65.039","0.006","69.172","0.004","74.892","0.005","708.08","0.08","291","","291","","","","","","","","","6","P -1","-P 1","2","","dimethyl (3,4-dichlorobenzoyl)-1-methylcarbonohydrazonodithioate","","- C11 H12 Cl2 N2 O S2 -","- C11 H12 Cl2 N2 O S2 -","- C22 H24 Cl4 N4 O2 S4 -","2","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.038","0.0327","","","0.0951","0.0973","","","","","","1.148","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018442","13.368","0.0002","8.1817","0.0001","13.5158","0.0002","90","","105.415","0.001","90","","1425.08","0.04","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,4-dichloro-<i>N</i>'-(1,3-dithiolan-2-ylidene)-<i>N</i>-methylbenzohydrazide","","- C11 H10 Cl2 N2 O S2 -","- C11 H10 Cl2 N2 O S2 -","- C44 H40 Cl8 N8 O4 S8 -","4","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","1.54178","CuKα","","0.0347","0.0343","","","0.0994","0.0999","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018443","9.5677","0.0006","9.8798","0.0004","14.7183","0.0011","104.726","0.005","104.033","0.006","103.273","0.004","1240.95","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1-benzazepin-4-ol","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","2","YF3011","Blanco, Maria Camila; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Chain formation by disordered, but correlated, hydrogen bonds in <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol and <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","Acta Crystallographica Section C","2012","68","3","o126","o130","10.1107/S0108270112003988","","","0.71073","MoKα","","0.0753","0.0469","","","0.096","0.108","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018444","9.6764","0.0005","10.6897","0.0003","14.4433","0.0005","72.018","0.003","89.108","0.003","72.494","0.003","1350.27","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1-benzazepin-4-ol","","- C15 H17 N O S -","- C15 H17 N O S -","- C60 H68 N4 O4 S4 -","4","2","YF3011","Blanco, Maria Camila; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Chain formation by disordered, but correlated, hydrogen bonds in <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol and <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","Acta Crystallographica Section C","2012","68","3","o126","o130","10.1107/S0108270112003988","","","0.71073","MoKα","","0.0894","0.0488","","","0.1104","0.1311","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018445","7.9019","0.0005","10.2333","0.0007","10.4441","0.0007","112.281","0.003","95.373","0.004","104.862","0.003","737.93","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[bis(μ~4~-3-{[2-(3-hydroxy-2- oxidobenzylidene)hydrazinylidene]methyl}benzene-1,2- diolato)dimethanoltricopper(II)]","","- C30 H26 Cu3 N4 O10 -","- C30 H26 Cu3 N4 O10 -","- C30 H26 Cu3 N4 O10 -","1","0.5","BG3148","Zhang, Liangliang; Liu, Fuling; Yuan, Shuai; Wang, Xiaoyang; Sun, Di","A one-dimensional coordination polymer based on a di-Schiff base supported trinuclear Cu^II^ subunit","Acta Crystallographica Section C","2012","68","4","m97","m99","10.1107/S0108270112009936","","","0.71073","MoKα","","0.0452","0.0322","","","0.0852","0.0927","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018446","15.12762","0.00013","15.12762","0.00013","21.0223","0.0002","90","","90","","120","","4166.31","0.06","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0418","0.0406","","0.1144","0.1127","0.1144","","","","","","1.0184","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018447","15.4995","0.0002","15.4995","0.0002","21.1346","0.0003","90","","90","","120","","4397.04","0.1","250","","250","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0611","0.0493","","0.1782","0.1542","0.1782","","","","","","0.9568","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018448","15.1327","0.0003","15.1327","0.0003","20.9326","0.0004","90","","90","","120","","4151.32","0.14","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0444","0.0408","","0.128","0.1203","0.128","","","","","","0.9825","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018449","25.7648","0.0017","10.8166","0.0007","8.0542","0.0005","90","","90","","90","","2244.6","0.2","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","bis(methanolate)bis(tetrafluorobenzobarrelene)rhodium","","","- C26 H18 F8 O2 Rh2 -","- C26 H18 F8 O2 Rh2 -","- C104 H72 F32 O8 Rh8 -","4","0.5","BM3117","García-Orduña, Pilar; Mena, Inmaculada; Casado, Miguel A.; Lahoz, Fernando J.","Di-μ-methanolato-bis[(η^4^-tetrafluorobenzobarrelene)rhodium(I)]","Acta Crystallographica Section C","2012","68","4","m113","m116","10.1107/S0108270112012930","","","0.71073","MoKα","","0.0391","0.0289","","","0.0656","0.0693","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018450","9.134","0.002","9.694","0.002","11.735","0.003","80.602","0.004","87.611","0.004","66.518","0.004","939.9","0.4","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[(dimethylamine-κ<i>N</i>)[μ~3~-(<i>E</i>)-2,6-dimethyl-4- styrylpyridine-3,5-dicarboxylato- κ^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^]zinc(II)]","","- C19 H20 N2 O4 Zn -","- C19 H20 N2 O4 Zn -","- C38 H40 N4 O8 Zn2 -","2","1","EM3046","Zhang, Ming-Xing; Chen, Xin; Huang, Kun-Lin; Zhu, Yi; Yang, Shan-Shan","Distinct chiral units from an axially prochiral ligand in a photoluminescent zinc(II)‒organic complex","Acta Crystallographica Section C","2012","68","4","m90","m93","10.1107/S0108270112006051","","","0.71073","MoKα","","0.0528","0.039","","","0.0848","0.0906","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018451","12.0615","0.0004","21.2567","0.0007","17.1877","0.0006","90","","90.529","0.003","90","","4406.5","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","<i>N</i>,<i>N</i>'-di-<i>tert</i>-butyl-<i>N</i>'',<i>N</i>''- dimethylphosphoric triamide","<i>tert</i>-butyl[(<i>tert</i>-butylamino)(dimethylamino)phosphoryl]amine","","- C10 H26 N3 O P -","- C10 H26.0005 N3 O P -","- C120 H312.006 N36 O12 P12 -","12","6","FA3268","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal","Two new <i>X</i>P(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with <i>X</i> = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O)","Acta Crystallographica Section C","2012","68","4","o164","o169","10.1107/S0108270112008566","","","0.71073","MoKα","","0.0961","0.0609","","0.1609","0.1347","0.1608","","","","","","0.9236","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018452","11.3715","0.0004","17.7755","0.0007","13.6956","0.0005","90","","119.371","0.004","90","","2412.51","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetra-<i>tert</i>- butyloxybis(phosphonic diamide)","({[bis(tert-butylamino)phosphoryl]oxy}(<i>tert</i>- butylamino)phosphoryl)(<i>tert</i>-butyl)amine","","- C16 H40 N4 O3 P2 -","- C16 H40 N4 O3 P2 -","- C64 H160 N16 O12 P8 -","4","1","FA3268","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal","Two new <i>X</i>P(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with <i>X</i> = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O)","Acta Crystallographica Section C","2012","68","4","o164","o169","10.1107/S0108270112008566","","","1.5418","CuKα","","0.0521","0.0404","","","0.1004","0.1074","","","","","","1.6","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018453","15.1394","0.0004","7.7629","0.0003","11.069","0.0004","90","","100.628","0.002","90","","1278.58","0.08","295","2","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,2',4,4'-tetrahydroxybenzophenone dihydrate","bis(2,4-dihydroxyphenyl)methanone dihydrate","","- C13 H14 O7 -","- C13 H14 O7 -","- C52 H56 O28 -","4","0.5","FA3271","Landre, I. M. R.; Martins, F. T.; Ellena, J. A.; Dos Santos, M. H.; Doriguetto, A. C.","Pseudopolymorphism in hydroxybenzophenones: the dihydrate of 2,2',4,4'-tetrahydroxybenzophenone","Acta Crystallographica Section C","2012","68","4","o156","o159","10.1107/S0108270112008748","","","0.71073","MoKα","","0.0541","0.0428","","","","0.126","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018454","9.1135","0.0018","13.818","0.003","24.971","0.005","90","","95.16","0.03","90","","3131.9","1.1","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ-1,2-Dimethoxyethane-κ^2^<i>O</i>:<i>O</i>')bis[(1,2-dimethoxyethane- κ^2^<i>O</i>,<i>O</i>')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato- κ^2^<i>O</i>,<i>O</i>')cerium(III)]","","- C42 H36 Ce2 F36 O18 -","- C42 H36 Ce2 F36 O18 -","- C84 H72 Ce4 F72 O36 -","2","0.5","FG3244","Fatila, Elisabeth M.; Jennings, Michael C.; Lough, Alan; Preuss, Kathryn E.","(μ-1,2-Dimethoxyethane-κ^2^<i>O</i>:<i>O</i>')bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III)]","Acta Crystallographica Section C","2012","68","4","m100","m103","10.1107/S0108270112010402","","","0.71073","MoKα","","0.0492","0.0347","","","0.0609","0.0654","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018455","8.9553","0.0005","8.7468","0.0005","17.0671","0.0008","90","","99.713","0.002","90","","1317.71","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibromodiphenylstannane","","- C12 H10 Br2 Sn -","- C12 H10 Br2 Sn -","- C48 H40 Br8 Sn4 -","4","1","FG3245","Ye, Fei; Reuter, Hans","Dibromodiphenylstannane: isolated centrosymmetric dimers as a new structure motif for the intermolecular association of diorganotin(IV) dihalides","Acta Crystallographica Section C","2012","68","4","m104","m108","10.1107/S0108270112012504","","","0.71073","MoKα","","0.0214","0.0167","","","0.0372","0.0389","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018456","12.347","0.003","4.6558","0.0012","11.607","0.003","90","","105.856","0.008","90","","641.8","0.3","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","6-bromo-2-(3-oxo-2,3-dihydro-1<i>H</i>-indol-2-ylidene)-2,3-dihydro-1<i>H</i>- indol-3-one","","- C16 H9 Br N2 O2 -","- C16 H9 Br N2 O2 -","- C32 H18 Br2 N4 O4 -","2","1","GG3263","Szalda, David J.; Ramig, Keith; Lavinda, Olga; Koren, Zvi C.; Massa, Lou","6-Bromoindigo dye","Acta Crystallographica Section C","2012","68","4","o160","o163","10.1107/S0108270112006440","","","0.71073","MoKα","","0.0937","0.059","","","0.1265","0.1414","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018457","8.472","0.0001","22.7966","0.0003","16.8592","0.0002","90","","93.886","0.001","90","","3248.58","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-(4,5-Dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol)","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","KU3064","Bond, Marcus R.; Hathaway, Bruce A.; Kilgore, Uriah J.","4,4'-(4,5-Dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols","Acta Crystallographica Section C","2012","68","4","o179","o182","10.1107/S0108270112013169","","","0.71073","MoKα","","0.0677","0.0456","","","0.1102","0.1223","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018458","22.975","0.005","5.5835","0.001","21.55","0.005","90","","116.06","0.03","90","","2483.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Diphenyl-1,2,4-triazin-6(1<i>H</i>)-one","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C120 H88 N24 O8 -","8","1","KY3010","Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech","3,5-Diphenyl-1,2,4-triazin-6(1<i>H</i>)-one: synthesis, and X-ray and DFT-calculated structures","Acta Crystallographica Section C","2012","68","4","o149","o151","10.1107/S0108270112008384","","","0.71073","MoKα","","0.1878","0.0472","","","0.0433","0.0498","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018459","7.6419","0.0004","16.2205","0.0008","23.4299","0.0012","90","","90","","90","","2904.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","poly[[diaqua((2<i>S</i>,3<i>R</i>,4<i>S</i>)-3-ethenyl-2-(β-D- glucopyranosyloxy)-4-{[(1<i>S</i>)-2,3,4,9-tetrahydro-1<i>H</i>- pyrido[3,4-<i>b</i>]indol-2-ium-1-yl]methyl}-3,4-dihydro-2<i>H</i>- pyran-5-carboxylate)sodium] chloride monohydrate]","","- C26 H38 Cl N2 Na O12 -","- C26 H38 Cl N2 Na O12 -","- C104 H152 Cl4 N8 Na4 O48 -","4","1","LG3078","de Castro, Rosane; da Matos, Carolina; Nascimento, Cláudia A. do; Oliveira, Cecília M. A.; Kato, Lucília; Lião, Luciano M.; Sabino, José R.","Absolute configuration of strictosidinic acid","Acta Crystallographica Section C","2012","68","4","m94","m96","10.1107/S0108270112010372","","","1.54178","CuKα","","0.0729","0.0628","","","","0.1589","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018460","8.4644","0.0002","19.8264","0.0005","27.9406","0.0007","90","","90","","90","","4689","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","aripiprazole nitrate","4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium nitrate","","- C23 H28 Cl2 N4 O5 -","- C23 H28 Cl2 N4 O5 -","- C184 H224 Cl16 N32 O40 -","8","1","QS3012","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. I. Aripiprazole nitrate","Acta Crystallographica Section C","2012","68","4","o170","o173","10.1107/S0108270112010785","","","0.71073","MoKα","","0.0555","0.0417","","","0.095","0.1027","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018461","9.2295","0.0002","11.6047","0.0003","12.9863","0.0003","102.423","0.002","99.045","0.002","106.753","0.002","1264.44","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-3,5-dichloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^; κ^3^<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^- bis[(3,5-dichloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C52 H28 Cl8 Cu2 N4 O12 -","- C52 H28 Cl8 Cu2 N4 O12 -","- C52 H28 Cl8 Cu2 N4 O12 -","1","0.5","SF3164","Moncol, Ján; Jomová, Klaudia; Porubská, Mária","Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid","Acta Crystallographica Section C","2012","68","4","m85","m89","10.1107/S0108270112004532","","","0.71069","MoKα","","0.0725","0.0534","","","0.151","0.1599","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2018462","7.9153","0.0002","11.1877","0.0003","15.0623","0.0003","72.456","0.002","77.056","0.002","83.897","0.002","1238.39","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-5-chloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^- bis[(5-chloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] ethanol monosolvate","","- C54 H38 Cl4 Cu2 N4 O13 -","- C54 H38 Cl4 Cu2 N4 O13 -","- C54 H38 Cl4 Cu2 N4 O13 -","1","0.5","SF3164","Moncol, Ján; Jomová, Klaudia; Porubská, Mária","Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid","Acta Crystallographica Section C","2012","68","4","m85","m89","10.1107/S0108270112004532","","","0.71069","MoKα","","0.0403","0.0322","","","0.094","0.0964","","","","","","1.057","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018463","12.525","0.006","15.051","0.007","12.719","0.006","90","","106.241","0.01","90","","2302","1.9","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-<i>erythro</i>- pentofuranosyl)-5-[6-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)hex-1- ynyl]pyrimidin-2(1<i>H</i>)-one","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","2","SF3166","Seela, Frank; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans","A 2'-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit","Acta Crystallographica Section C","2012","68","4","o174","o178","10.1107/S0108270112010682","","","0.71073","MoKα","","0.0433","0.0361","","","0.089","0.0934","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018464","23.251","0.005","8.907","0.005","19.233","0.005","90","","101.221","0.005","90","","3907","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~-benzene-1,4-dicarboxylato)di-μ-chlorido- (triethanolamine)dicadmium(II)]","","- C14 H19 Cd2 Cl2 N O7 -","- C14 H19 Cd2 Cl2 N O7 -","- C112 H152 Cd16 Cl16 N8 O56 -","8","1","SF3169","He, Xiyun; Lv, Jianyi; Xu, Guohai","Poly[(μ~3~-benzene-1,4-dicarboxylato)di-μ-chlorido-(triethanolamine)dicadmium(II)]: a cadmium‒halide coordination polymer with a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2012","68","4","m109","m112","10.1107/S0108270112012668","","","0.71073","MoKα","","0.0253","0.0205","","","0.0453","0.0469","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018465","8.2523","0.0003","11.1475","0.0003","27.817","0.0007","90","","90","","90","","2558.96","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cyclopentylaminium cinnamate","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0418","","","","0.1067","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018466","13.4992","0.0004","6.4723","0.0002","16.7352","0.0005","90","","108.61","0.002","90","","1385.72","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cyclohexylaminium cinnamate","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0579","","","","0.1742","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018467","5.779","0.0004","11.34","0.0011","22.751","0.0015","90","","90","","90","","1491","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cycloheptylaminium cinnamate","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0382","","","","0.0842","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018468","11.4496","0.0002","6.1011","0.0001","43.0883","0.0008","90","","93.659","0.001","90","","3003.8","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cycloheptylaminium cinnamate","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0518","","","","0.1485","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018469","24.479","0.0004","6.28","0.0004","22.634","0.0005","90","","114.894","0.002","90","","3156.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclooctylaminium cinnamate","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C136 H200 N8 O16 -","8","2","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0604","","","","0.1595","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018470","12.699","0.0004","5.891","0.0002","14.387","0.004","90","","110.855","0.002","90","","1005.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclododecylaminium cinnamate","","- C21 H33 N O2 -","- C21 H33 N O2 -","- C42 H66 N2 O4 -","2","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0504","","","","0.1236","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018471","14.596","0.003","10.995","0.002","16.192","0.003","90","","107.96","0.03","90","","2471.9","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-aqua{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) monohydrate","","- C15 H34 Cl2 N6 Ni O10 -","- C15 H34 Cl2 N6 Ni O10 -","- C60 H136 Cl8 N24 Ni4 O40 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71073","MoKα","","0.154","0.057","","","0.0926","0.1359","","","","","","1.233","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018472","9.428","0.005","16.047","0.005","16.06","0.005","90","","90","","90","","2429.7","1.7","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-aqua{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate)","","- C15 H32 Cl2 N6 Ni O9 -","- C15 H32 Cl2 N6 Ni O9 -","- C60 H128 Cl8 N24 Ni4 O36 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71069","MoKα","","0.0795","0.0585","","","0.1279","0.1532","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018473","16.665","0.005","9.696","0.005","13.936","0.005","90","","92.849","0.005","90","","2249","1.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}(perchlorato)nickel(II) perchlorate","","- C15 H30 Cl2 N6 Ni O8 -","- C15 H30 Cl2 N6 Ni O8 -","- C60 H120 Cl8 N24 Ni4 O32 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71069","MoKα","","0.0646","0.0373","","","0.0862","0.0919","","","","","","0.899","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018474","13.7285","0.0012","19.233","0.0018","21.171","0.002","90","","90","","90","","5590","0.9","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-{1,8-bis[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) 0.24-hydrate","","- C20 H36.48 Cl2 N8 Ni O8.24 -","- C20 H36 Cl2 N8 Ni O8.248 -","- C160 H288 Cl16 N64 Ni8 O65.984 -","8","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71073","MoKα","","0.0945","0.0642","","","0.1366","0.1512","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018475","13.8506","0.0006","17.3867","0.0008","19.7476","0.0008","90","","90","","90","","4755.5","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin pentahydrate","(2<i>S</i>,12<i>Z</i>,14<i>E</i>,16<i>S</i>,17<i>S</i>,18<i>R</i>, 19<i>R</i>,20<i>R</i>,21<i>S</i>,22<i>R</i>,23<i>S</i>,24<i>E</i>)-21- acetyloxy-6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl- 8-[(<i>E</i>)-<i>N</i>-(4-methylpiperazin-4-ium-1-yl)formimidoyl]-1,11-dioxo- 1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-<i>b</i>]furan- 5-olate pentahydrate","","- C43 H68 N4 O17 -","- C43 H68 N4 O17 -","- C172 H272 N16 O68 -","4","1","FA3275","Wicher, Barbara; Pyta, Krystian; Przybylski, Piotr; Tykarska, Ewa; Gdaniec, Maria","Redetermination of rifampicin pentahydrate revealing a zwitterionic form of the antibiotic","Acta Crystallographica Section C","2012","68","5","o209","o212","10.1107/S0108270112015296","","","1.54178","CuKα","","0.0508","0.0482","","","0.1321","0.1353","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018476","9.5173","0.0001","9.5173","0.0001","56.0061","0.0009","90","","90","","120","","4393.33","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","scandium dirubidium pentadecamolybdenum nonadecasulfide","","- Mo15 Rb2 S19 Sc0.43 -","- Mo15 Rb2 S19 Sc0.426 -","- Mo90 Rb12 S114 Sc2.556 -","6","0.166667","FN3104","Gougeon, Patrick; Al Rahal Al Orabi, Rabih; Gautier, Régis; Potel, Michel","Sc~0.43(2)~Rb~2~Mo~15~S~19~, a partially Sc-filled variant of Rb~2~Mo~15~S~19~","Acta Crystallographica Section C","2012","68","5","i25","i28","10.1107/S0108270112016605","","","0.71069","MoKα","","0.0308","0.0292","","","0.0619","0.0624","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018477","17.8073","0.0009","12.3587","0.0007","28.5276","0.0018","90","","98.603","0.006","90","","6207.6","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7- triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate","","- C25 H39 Cl2 N7 O6 Ru -","- C25 H39 Cl2 N7 O6 Ru -","- C200 H312 Cl16 N56 O48 Ru8 -","8","1","GZ3210","Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D.","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","Acta Crystallographica Section C","2012","68","5","m127","m130","10.1107/S0108270112015259","","","0.71073","MoKα","","0.0995","0.0468","","","0.1057","0.1223","","","","","","0.87","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018478","8.1705","0.0006","10.3825","0.0011","18.1967","0.0015","92.464","0.007","96.74","0.007","103.386","0.008","1487.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7- triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","","- C21 H39 Cl2 N5 O13 Ru -","- C21 H39 Cl2 N5 O13 Ru -","- C42 H78 Cl4 N10 O26 Ru2 -","2","1","GZ3210","Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D.","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","Acta Crystallographica Section C","2012","68","5","m127","m130","10.1107/S0108270112015259","","","0.71069","MoKα","","0.0748","0.0531","","","0.1267","0.1441","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018479","4.9972","0.0001","21.8972","0.0006","10.4994","0.0003","90","","90.668","0.001","90","","1148.82","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)- 2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']","","- C9 H7 Ag N4 O4 S -","- C9 H7 Ag N4 O4 S -","- C36 H28 Ag4 N16 O16 S4 -","4","1","LN3150","Wan, Chong-Qing; Wang, Zi-Jia; Qiao, Peng; Wang, Zhi-Wei; Li, Ai-Min","Supramolecular framework in <i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)-2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']","Acta Crystallographica Section C","2012","68","5","m117","m120","10.1107/S0108270112015041","","","0.71073","MoKα","","0.0512","0.048","","","0.1282","0.1309","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018480","14.6316","0.0009","14.6316","0.0009","6.6239","0.0004","90","","90","","90","","1418.07","0.15","299","","299","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<i>L</i>-tartrato- κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]","","- C6 H18 Cu N4 O12 -","- C6 H18 Cu N4 O12 -","- C24 H72 Cu4 N16 O48 -","4","0.5","SF3165","Bélombé, Michel M.; Nenwa, Justin; Wankap Kouamo, Jean S. T.; Ponou, Siméon; Fischer, Andreas","<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]: a chiral nanochannel framework hosting solvent water molecules","Acta Crystallographica Section C","2012","68","5","m131","m134","10.1107/S0108270112016435","","","0.71073","MoKα","","0.0339","0.0236","","","0.0497","0.0525","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018481","9.492","0.008","9.735","0.008","16.289","0.013","90","","103.206","0.012","90","","1465","2","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,6-di-<i>O</i>-benzyl-1,3-<i>O</i>-benzylidene-2-<i>O</i>-(4-methoxybenzyl)- <i>myo</i>-5-inosose","","- C35 H34 O7 -","- C35 H34 O7 -","- C70 H68 O14 -","2","1","SF3168","Gurale, Bharat P.; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Chiral crystals from an achiral molecule: 4,6-di-<i>O</i>-benzyl-1,3-<i>O</i>-benzylidene-2-<i>O</i>-(4-methoxybenzyl)-<i>myo</i>-5-inosose","Acta Crystallographica Section C","2012","68","5","o183","o187","10.1107/S0108270112010001","","","0.71073","MoKα","","0.0809","0.0728","","","0.1347","0.1377","","","","","","1.256","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018482","6.975","0.002","7.4704","0.001","12.161","0.004","102.9","0.02","92.64","0.03","101.144","0.019","603.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C24 H26 N10 O4 -","2","1","SF3170","Yépes, Andrés F.; Palma, Alirio; Marchal, Antonio; Cobo, Justo; Glidewell, Christopher","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2012","68","5","o199","o203","10.1107/S0108270112017921","","","0.71073","MoKα","","0.0935","0.0672","","","0.1825","0.203","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018483","11.625","0.0012","13.2225","0.0011","13.0172","0.0013","90","","101.92","0.008","90","","1957.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3- aminopropionate","","- C19 H28 N6 O3 -","- C19 H28 N6 O3 -","- C76 H112 N24 O12 -","4","1","SF3170","Yépes, Andrés F.; Palma, Alirio; Marchal, Antonio; Cobo, Justo; Glidewell, Christopher","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2012","68","5","o199","o203","10.1107/S0108270112017921","","","0.71073","MoKα","","0.1074","0.0588","","","0.1303","0.1544","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018484","16.825","0.002","13.181","0.0013","8.1049","0.0012","90","","92.846","0.012","90","","1795.2","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tris(pentafluorophenyl)boroxine","2,4,6-(pentafluorophenyl)-1,3,5,2,4,6-trioxatriborinane","","- C18 B3 F15 O3 -","- C18 B3 F15 O3 -","- C72 B12 F60 O12 -","4","0.5","SK3434","Tillmann, Jan; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","Analysis of geometric parameters and packing considerations for triphenylboroxine derivatives, with tris(pentafluorophenyl)boroxine as an example","Acta Crystallographica Section C","2012","68","5","o204","o208","10.1107/S0108270112016629","","","0.71073","MoKα","","0.0491","0.0367","","","0.0971","0.1029","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018485","9.6285","0.0004","11.2875","0.0005","13.5147","0.0006","90","","99.565","0.003","90","","1448.38","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H18 F N O -","- C18 H18 F N O -","- C72 H72 F4 N4 O4 -","4","1","SK3435","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine and (2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2012","68","5","o195","o198","10.1107/S010827011201654X","","","0.71073","MoKα","","0.1073","0.0491","","","0.0947","0.1169","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018486","10.0891","0.001","10.981","0.002","13.7952","0.0018","90","","92.771","0.011","90","","1526.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","1","SK3435","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine and (2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2012","68","5","o195","o198","10.1107/S010827011201654X","","","0.71073","MoKα","","0.0873","0.0465","","","0.0893","0.1037","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018487","7.206","0.002","15.968","0.006","13.055","0.003","90","","115.049","0.013","90","","1360.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate","","- C14 H10 N2 O8 -","- C14 H10 N2 O8 -","- C56 H40 N8 O32 -","4","1","TP3010","Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong","Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","Acta Crystallographica Section C","2012","68","5","m135","m138","10.1107/S0108270112017763","","","0.71073","MoKα","","0.0835","0.0476","","","0.1162","0.1383","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018488","17.195","0.006","12.411","0.005","17.569","0.006","90","","90","","90","","3749","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","","- C14 H14 Cl2 Mn N2 O10 -","- C14 H14 Cl2 Mn N2 O10 -","- C112 H112 Cl16 Mn8 N16 O80 -","8","1","TP3010","Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong","Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","Acta Crystallographica Section C","2012","68","5","m135","m138","10.1107/S0108270112017763","","","0.71073","MoKα","","0.0962","0.0455","","","0.1033","0.1214","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018489","6.34","0.002","10.312","0.003","6.122","0.002","90","","90","","90","","400.2","0.2","296.2","","296.2","","","","","","","","","2","C m c m","-C 2c 2","63","","lanthanum tetrazinc","","- La Zn4 -","- La Zn4 -","- La4 Zn16 -","4","0.25","BI3038","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Griffin, Alexandra","Lanthanum tetrazinc, LaZn~4~","Acta Crystallographica Section C","2012","68","6","i37","i40","10.1107/S0108270112020367","","","0.71073","MoKα","","0.0435","0.0432","","","0.1119","0.112","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018490","13.2153","0.0004","15.9752","0.0006","18.5695","0.0006","90","","108.818","0.002","90","","3710.8","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","μ-hydrogen-bis[tris(4-fluorophenyl)phosphane oxide] triiodide","","- C36 H25 F6 I3 O2 P2 -","- C36 H25 F6 I3 O2 P2 -","- C144 H100 F24 I12 O8 P8 -","4","1","EG3082","Haghjoo, Farhad; Barnes, Nicholas A.; Pritchard, Robin; Godfrey, Stephen M.; Ratcliffe, Shane","Hydrogen bis[tris(4-fluorophenyl)phosphane oxide] triiodide","Acta Crystallographica Section C","2012","68","6","o216","o219","10.1107/S0108270112020112","","","0.71073","MoKα","","0.0691","0.0497","","","","0.1313","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018491","14.1054","0.0001","14.547","0.0001","18.7059","0.0002","90","","106.954","0.0003","90","","3671.47","0.05","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-<i>tert</i>-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dichloridocobalt(II)","","- C14 H24 Cl2 Co N4 -","- C14 H24 Cl2 Co N4 -","- C112 H192 Cl16 Co8 N32 -","8","2","EG3092","Herdtweck, Eberhardt; Zeller, Alexander; Strassner, Thomas","Bis(1-<i>tert</i>-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dichloridocobalt(II)","Acta Crystallographica Section C","2012","68","6","m166","m168","10.1107/S0108270112020884","","","0.71073","MoKα","","0.045","0.0315","","","0.0709","0.0762","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018492","13.07929","0.00017","5.82873","0.00008","16.314","0.0002","90","","107.31","0.0006","90","","1187.38","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3<i>R</i>,5<i>S</i>,5'<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>S</i>, 14<i>S</i>)-10,13-dimethyl-5'-(2-methylpropyl)tetradecahydro-6'<i>H</i>- spiro[cyclopenta[<i>a</i>]phenanthrene-3,2'-[1,4]oxazinane]-6',17(2<i>H</i>)- dione","","- C26 H41 N O3 -","- C26 H41 N O3 -","- C52 H82 N2 O6 -","2","1","FA3273","Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald","Two androsterone derivatives as inhibitors of androgen biosynthesis","Acta Crystallographica Section C","2012","68","6","o231","o234","10.1107/S0108270112021099","","","1.54178","CuKα","","0.0415","0.0402","","","0.1058","0.1071","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018493","6.3941","0.0002","18.144","0.0007","22.6047","0.0009","90","","90","","90","","2622.47","0.17","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (2<i>R</i>)-2-[(3<i>R</i>,5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>, 13<i>S</i>,14<i>S</i>)-10,13-dimethyl-2',17-dioxohexadecahydro-3'<i>H</i>- spiro[cyclopenta[<i>a</i>]phenanthrene-3,5'-[1,3]oxazolidin-3'-yl]]- 4-methylpentanoate","","- C28 H43 N O5 -","- C28 H43 N O5 -","- C112 H172 N4 O20 -","4","1","FA3273","Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald","Two androsterone derivatives as inhibitors of androgen biosynthesis","Acta Crystallographica Section C","2012","68","6","o231","o234","10.1107/S0108270112021099","","","1.54178","CuKα","","0.0389","0.0369","","","0.0989","0.1007","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018494","6.038","0.003","10.286","0.004","20.096","0.008","90","","103.39","0.016","90","","1214.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone","","- C10 H13 B O3 S -","- C10 H13 B O3 S -","- C40 H52 B4 O12 S4 -","4","1","FG3242","Urdaneta, Neudo; Nuñez, Jesús; González, Teresa; Briceño, Alexander","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","Acta Crystallographica Section C","2012","68","6","o213","o215","10.1107/S0108270112018598","","","0.71073","MoKα","","0.109","0.0638","","","0.144","0.1672","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018495","6.664","0.005","9.537","0.008","10.771","0.009","102.252","0.019","93.24","0.03","94.07","0.03","665.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","","- C13 H17 B O3 -","- C13 H17 B O3 -","- C26 H34 B2 O6 -","2","1","FG3242","Urdaneta, Neudo; Nuñez, Jesús; González, Teresa; Briceño, Alexander","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","Acta Crystallographica Section C","2012","68","6","o213","o215","10.1107/S0108270112018598","","","0.7107","MoKα","","0.0868","0.0636","","","0.1828","0.2029","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018496","22.268","0.004","22.268","0.004","18.398","0.005","90","","90","","90","","9123","3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","1,5-Bis(4-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione‒ 1,5-bis(2-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione (84/16)","","- C26 H19 Cl2 N O3 -","- C26 H19 Cl2 N O3 -","- C416 H304 Cl32 N16 O48 -","16","1","FG3252","Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of <i>R</i>~2~^2^(18) and <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2012","68","6","o220","o225","10.1107/S0108270112020860","","","0.71073","MoKα","","0.0846","0.0535","","","0.1392","0.1586","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018497","10.6771","0.0019","11.5208","0.0015","15.7275","0.0013","83.956","0.011","72.795","0.013","68.204","0.014","1715.9","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(9<i>RS</i>,10<i>RS</i>)-8,9-bis(4-chlorobenzyl)- 10-(2-oxo-1,2-dihydroquinolin-3-yl)-5,6,9,10-tetrahydrophenanthridine","","- C36 H22 Cl2 N2 O4 -","- C36 H22 Cl2 N2 O4 -","- C72 H44 Cl4 N4 O8 -","2","1","FG3252","Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of <i>R</i>~2~^2^(18) and <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2012","68","6","o220","o225","10.1107/S0108270112020860","","","0.71073","MoKα","","0.0737","0.0507","","","0.1482","0.1607","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018498","8.034","0.002","9.804","0.003","12.093","0.003","74.72","0.004","80.455","0.004","86.176","0.004","905.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","ClOL3m","Methanol[1-(methoxymethanimidoyl)-2-(pyridin-2- ylmethyl)guanidine]bis(perchlorato)copper(II)","","- C10 H17 Cl2 Cu N5 O10 -","- C10 H17 Cl2 Cu N5 O10 -","- C20 H34 Cl4 Cu2 N10 O20 -","2","1","FN3103","Meenongwa, Atittaya; Chaveerach, Unchulee; Blake, Alexander J.","Methanol[1-(methoxymethanimidoyl)-2-(pyridin-2-ylmethyl)guanidine]bis(perchlorato)copper(II)","Acta Crystallographica Section C","2012","68","6","m143","m146","10.1107/S0108270112015843","","","0.71073","MoKα","","0.0331","0.0308","","","","0.0807","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018499","8.7822","0.0015","10.6904","0.0018","12.044","0.002","86.662","0.002","78.93","0.002","84.014","0.002","1102.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[dichloridomercury(II)]","","- C48 H40 Cl4 Hg2 N4 O4 -","- C48 H40 Cl4 Hg2 N4 O4 -","- C48 H40 Cl4 Hg2 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0455","0.0418","","","0.1125","0.1155","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018500","9.021","0.004","11.096","0.004","11.914","0.005","81.812","0.005","78.764","0.005","81.635","0.005","1149.2","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[dibromidomercury(II)]","","- C48 H40 Br4 Hg2 N4 O4 -","- C48 H40 Br4 Hg2 N4 O4 -","- C48 H40 Br4 Hg2 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0511","0.04","","","0.0951","0.0998","","","","","","1.082","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018501","8.9444","0.0016","12.352","0.002","12.052","0.002","72.641","0.002","74.882","0.002","77.62","0.002","1213.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[iodidomercury(II)]","","- C48 H40 Hg2 I4 N4 O4 -","- C48 H40 Hg2 I4 N4 O4 -","- C48 H40 Hg2 I4 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0412","0.0341","","","0.0826","0.0858","","","","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018502","5.0372","0.001","10.32","0.002","17.272","0.004","90","","90","","90","","897.9","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trilithium aluminium trimolybdate(VI)","","- Al Li3 Mo3 O12 -","- Al Li3 Mo3 O12 -","- Al4 Li12 Mo12 O48 -","4","0.5","KU3069","Bugaris, Daniel E.; Loye, Hans-Conrad zur","Li~3~Al(MoO~4~)~3~, a lyonsite molybdate","Acta Crystallographica Section C","2012","68","6","i34","i36","10.1107/S0108270112020513","","","0.71073","MoKα","","0.0274","0.0206","","","0.0447","0.0475","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018503","6.141","0.002","19.914","0.006","19.91","0.006","90","","96.537","0.006","90","","2419","1.3","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine","","- C30 H24 N8 -","- C30 H24 N8 -","- C120 H96 N32 -","4","1","OV3013","Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~","Acta Crystallographica Section C","2012","68","6","m152","m155","10.1107/S0108270112019233","","","0.71073","MoKα","","0.0796","0.053","","","0.1051","0.1158","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018504","16.627","0.003","10.6199","0.0018","20.082","0.003","90","","113.586","0.002","90","","3249.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[dichloridomercury(II)]-μ-3,5-bis{4-[(benzimidazol-1- yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine] dichloromethane hemisolvate]","","- C30.5 H25 Cl3 Hg N8 -","- C30.5 H25 Cl3 Hg N8 -","- C122 H100 Cl12 Hg4 N32 -","4","1","OV3013","Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~","Acta Crystallographica Section C","2012","68","6","m152","m155","10.1107/S0108270112019233","","","0.71073","MoKα","","0.0558","0.0381","","","0.0942","0.1022","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018505","10.186","0.002","11.736","0.003","22.341","0.005","90","","102.978","0.003","90","","2602.5","1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>meso</i>-bis{η^5^-1-[1-(dimethylamino)ethenyl]-3- (trimethylsilyl)cyclopentadienyl}iron(II)","","- C24 H40 Fe N2 Si2 -","- C24 H40 Fe N2 Si2 -","- C96 H160 Fe4 N8 Si8 -","4","1","SF3173","Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","<i>meso</i>-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue","Acta Crystallographica Section C","2012","68","6","m139","m142","10.1107/S0108270112019312","","","0.71073","MoKα","","0.0803","0.0622","","","0.1278","0.136","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018506","7.891","0.002","9.363","0.003","10.44","0.003","105.531","0.003","111.101","0.003","102.658","0.003","649.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","<i>meso</i>-bis{η^5^-1-[1-(dimethylamino)ethenyl]-3- (trimethylsilyl)cyclopentadienyl}cobalt(II)","","- C24 H40 Co N2 Si2 -","- C24 H40 Co N2 Si2 -","- C24 H40 Co N2 Si2 -","1","0.5","SF3173","Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","<i>meso</i>-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue","Acta Crystallographica Section C","2012","68","6","m139","m142","10.1107/S0108270112019312","","","0.71073","MoKα","","0.0394","0.0365","","","0.091","0.0928","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018507","14.7348","0.0005","8.3103","0.0003","20.159","0.0007","90","","92.557","0.003","90","","2466.02","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium perchlorate","","- C23 H28 Cl3 N3 O6 -","- C23 H28 Cl3 N3 O6 -","- C92 H112 Cl12 N12 O24 -","4","1","SK3436","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. II. Aripiprazole perchlorate","Acta Crystallographica Section C","2012","68","6","o235","o239","10.1107/S0108270112021348","","","0.71073","MoKα","","0.0684","0.0475","","","0.1076","0.1208","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018508","6.9808","0.0002","34.6243","0.0012","9.674","0.0004","90","","92.774","0.004","90","","2335.52","0.14","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(methanol-κ<i>O</i>)[2-methoxy-6-({2-[(2-oxido-3- methoxybenzylidene)amino]benzyl}iminomethyl)phenolato- κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>,<i>O</i>^1'^]oxidovanadium(IV) monohydrate","","- C24 H26 N2 O7 V -","- C24 H26 N2 O7 V -","- C96 H104 N8 O28 V4 -","4","1","SK3437","Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna","X-ray and DFT-calculated structures of a vanadyl Schiff base complex: (methanol-κ<i>O</i>)[2-methoxy-6-({2-[(2-oxido-3-methoxybenzylidene)amino]benzyl}iminomethyl)phenolato-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>,<i>O</i>^1'^]oxidovanadium(IV) monohydrate","Acta Crystallographica Section C","2012","68","6","m161","m165","10.1107/S0108270112020938","","","0.71073","MoKα","","0.0546","0.0468","","","0.0951","0.0975","","","","","","1.202","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018509","11.0841","0.0016","7.8287","0.0012","17.72","0.002","90","","90","","90","","1537.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibromoborylbenzene","","- C6 H5 B Br2 -","- C6 H5 B Br2 -","- C48 H40 B8 Br16 -","8","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0771","0.0504","","","0.1003","0.1097","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018510","6.7452","0.0005","15.239","0.0012","12.4123","0.001","90","","93.841","0.006","90","","1273","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-dibromoboryl-4-(trimethylsilyl)benzene","","- C9 H13 B Br2 Si -","- C9 H13 B Br2 Si -","- C36 H52 B4 Br8 Si4 -","4","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0447","0.0356","","","0.08","0.0841","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018511","29.446","0.003","29.446","0.003","4.0228","0.0004","90","","90","","90","","3488","0.6","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","4-bromo-1-(dibromoboryl)benzene","","- C6 H4 B Br3 -","- C6 H4 B Br3 -","- C96 H64 B16 Br48 -","16","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.1048","0.0704","","","0.1362","0.1494","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018512","8.9095","0.0009","9.2874","0.0013","12.9306","0.0013","90","","92.249","0.008","90","","1069.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo(dimethylamino)(phenyl)borane","","- C8 H12 B Br2 N -","- C8 H12 B Br2 N -","- C32 H48 B4 Br8 N4 -","4","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0764","0.0462","","","0.0945","0.1036","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018513","6.695","0.0005","11.088","0.0008","21.687","0.0016","90","","90","","90","","1609.9","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","dibromo(dimethylsulfanyl)[4-(trimethylsilyl)phenyl]borane","","- C11 H19 B Br2 S Si -","- C11 H20 B Br2 S Si -","- C44 H80 B4 Br8 S4 Si4 -","4","0.5","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0679","0.037","","","0.0752","0.0828","","","","","","0.897","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018514","12.773","0.002","27.267","0.005","12.941","0.002","90","","90","","90","","4507.1","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[dichloridomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Cl6 Hg3 N13 -","- C38 H31 Cl6 Hg3 N13 -","- C152 H124 Cl24 Hg12 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0796","0.061","","","0.1717","0.1883","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018515","12.8037","0.0016","27.89","0.004","13.0245","0.0017","90","","90","","90","","4651","1.1","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[dibromidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Br6 Hg3 N13 -","- C38 H31 Br6 Hg3 N13 -","- C152 H124 Br24 Hg12 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0715","0.0485","","","0.1174","0.1328","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018516","12.822","0.003","28.976","0.007","13.309","0.003","90","","90","","90","","4945","2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[diiodidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Hg3 I6 N13 -","- C38 H31 Hg3 I6 N13 -","- C152 H124 Hg12 I24 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0628","0.05","","","0.1276","0.1375","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018517","7.4767","0.0016","10.861","0.002","12.475","0.002","90","","98.277","0.006","90","","1002.5","0.3","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]diazepin-11(10<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","WQ3014","Keller, Max; Bhadbhade, Mohan M.; Read, Roger W.","Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms","Acta Crystallographica Section C","2012","68","6","o240","o246","10.1107/S0108270112019622","","","0.71073","MoKα","","0.0866","0.0482","","","0.1036","0.12","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018518","8.7319","0.0008","16.0343","0.0016","19.2802","0.0018","93.029","0.005","95.427","0.005","93.662","0.005","2677.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(11-hydroxy-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]diazepin-5-yl)-2- {4-[3-(1<i>H</i>-imidazol-1-yl)propyl]piperidin-1-yl}ethanone ethanol monosolvate","","- C28 H35 N5 O3 -","- C28 H35 N5 O3 -","- C112 H140 N20 O12 -","4","2","WQ3014","Keller, Max; Bhadbhade, Mohan M.; Read, Roger W.","Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms","Acta Crystallographica Section C","2012","68","6","o240","o246","10.1107/S0108270112019622","","","0.71073","MoKα","","0.2457","0.0856","","","0.1878","0.2699","","","","","","0.988","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018519","13.7962","0.0002","13.7962","0.0002","13.7962","0.0002","90","","90","","90","","2625.9","0.07","190","2","190","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","iron nitrate hexahydrate","hexaaquairon(III) trinitrate","","- Fe H12 N3 O15 -","- Fe H12 N3 O15 -","- Fe8 H96 N24 O120 -","8","0.166667","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.0338","0.0278","","","0.0755","0.0814","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018520","6.7693","0.0004","7.0692","0.0004","11.6734","0.0006","85.568","0.002","80.655","0.001","70.279","0.002","518.72","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","iron nitrate pentahydrate","pentaaquanitratoiron dinitrate","","- Fe H10 N3 O14 -","- Fe H10 N3 O14 -","- Fe2 H20 N6 O28 -","2","1","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.0199","0.0193","","","0.0588","0.0592","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018521","7.0696","0.0007","15.1917","0.0016","9.4264","0.0007","90","","96.508","0.003","90","","1005.86","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","iron nitrate tetrahydrate","triaquadinitratoiron(III) nitrate monohydrate","","- Fe H8 N3 O13 -","- Fe H8 N3 O13 -","- Fe4 H32 N12 O52 -","4","1","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.028","0.0216","","","0.0525","0.0546","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018522","23.03","0.003","3.985","0.001","17.275","0.005","90","","111.33","0.01","90","","1476.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Bismuth Indium Lead Sulfide","pentalead triindium pentabismuth heptadecasulfide","","- Bi5.02 In3.05 Pb4.93 S17 -","- Bi5.019 In3.046 Pb4.935 S17 -","- Bi10.038 In6.092 Pb9.87 S34 -","2","0.5","BI3039","Winkler, H. P.; Topa, D.; Keller, E.","Pb~5~In~3~Bi~5~S~17~ [Pb~4.94(3)~In~3.05(3)~Bi~4.99(3)~S~17~] and its structural relationship with Pb~4~In~3~Bi~7~S~18~","Acta Crystallographica Section C","2012","68","7","i45","i49","10.1107/S0108270112021865","","","0.71073","MoKα","","0.0453","0.0357","","","0.0789","0.0828","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018523","14.2688","0.0008","15.0608","0.0009","15.7276","0.0009","66.226","0.001","63.654","0.001","63.7","0.001","2624","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-1<i>H</i>-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)- κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>; κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(but-2-enoato- κ^2^<i>O</i>,<i>O</i>')holmium(III)]","","- C46 H56 Ho2 N6 O16 -","- C46 H56 Ho2 N6 O16 -","- C92 H112 Ho4 N12 O32 -","2","1","BM3118","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Bis(2-amino-1<i>H</i>-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(but-2-enoato-κ^2^<i>O</i>,<i>O</i>')holmium(III)]","Acta Crystallographica Section C","2012","68","7","m185","m188","10.1107/S0108270112024468","","","0.71073","MoKα","","0.0382","0.0293","","","0.0651","0.0696","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018524","9.4354","0.0001","34.704","0.0005","7.6873","0.0001","90","","92.062","0.001","90","","2515.55","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[benzyldecyldimethylammonium [plumbate(II)-tri-μ-bromido]]","","- C19 H34 Br3 N Pb -","- C19 H34 Br3 N Pb -","- C76 H136 Br12 N4 Pb4 -","4","1","DT3013","Hodorowicz, Maciej A.; Piaskowska, Agata; Stadnicka, Katarzyna M.","Self-assembly of long-chain quaternary ammonium cations in a hybrid inorganic‒organic material with one-dimensional polymeric tribromidoplumbate(II)","Acta Crystallographica Section C","2012","68","7","m173","m176","10.1107/S0108270112023347","","","0.71073","MoKα","","0.0963","0.0392","","","0.0629","0.0757","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018525","12.5768","0.0008","16.0166","0.0009","7.1617","0.0005","90","","110.533","0.01","90","","1350.99","0.17","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride","","- C6 H8 Au Cl5 N4 -","- C6 H8 Au Cl5 N4 -","- C24 H32 Au4 Cl20 N16 -","4","0.5","EM3049","Domasevitch, Konstantin V.","4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride: a three-dimensional cationic cooperite-like framework with multiple pyrazolium‒chloride hydrogen-bonding interactions","Acta Crystallographica Section C","2012","68","7","m169","m172","10.1107/S0108270112024389","","","0.71073","MoKα","","0.0293","0.0267","","","0.0596","0.0603","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018526","10.6118","0.0004","5.8708","0.0002","14.4181","0.0006","90","","95.029","0.001","90","","894.79","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Volborthite","tricopper(II) divanadium(V) heptaoxide dihydroxide dihydrate","","- Cu3 H6 O11 V2 -","- Cu3 H2 O11 V2 -","- Cu12 H8 O44 V8 -","4","0.5","FA3276","Ishikawa, Hajime; Yamaura, Jun-ichi; Okamoto, Yoshihiko; Yoshida, Hiroyuki; Nilsen, Gøran J.; Hiroi, Zenji","A novel crystal polymorph of volborthite, Cu~3~V~2~O~7~(OH)~2~·2H~2~O","Acta Crystallographica Section C","2012","68","7","i41","i44","10.1107/S010827011202536X","","","0.71073","MoKα","","0.0281","0.0254","","","0.0694","0.0851","","","","","","1.46","","","","has coordinates,has Fobs","287555","2023-11-12","10:38:26",""
"2018527","12.4823","0.0019","11.8834","0.0018","8.7986","0.0013","90","","129.467","0.002","90","","1007.5","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[bis(μ~3~-cyanido-κ^3^<i>N</i>:<i>C</i>:<i>C</i>)[μ~5~-5-(pyridin-4- yl)tetrazolato- κ^5^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''':<i>N</i>'''']tricopper(I)]","","- C8 H4 Cu3 N7 -","- C8 H4 Cu3 N7 -","- C32 H16 Cu12 N28 -","4","0.5","FG3248","Meng, Gao-Xiang; Zhu, Jian-Hui; Feng, Ya-Min; Huang, Xin-Tang; Yang, He-Lin","The three-dimensional coordination network in poly[di-μ~3~-cyanido-μ~5~-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)]","Acta Crystallographica Section C","2012","68","7","m194","m196","10.1107/S0108270112026625","","","0.71073","MoKα","","0.0309","0.0275","","","0.0642","0.0658","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018528","8.0316","0.0004","8.1702","0.0004","9.2085","0.0005","98.595","0.004","93.324","0.004","97.26","0.004","590.86","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","2-(2-fluorophenyl)-perhydroisoindole-1,3-dione","<i>cis</i>-2-(2-fluorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione","","- C14 H14 F N O2 -","- C14 H14 F N O2 -","- C28 H28 F2 N2 O4 -","2","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0494","0.0354","","","0.0939","0.0979","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018529","11.3688","0.0008","8.7802","0.0006","12.7989","0.001","90","","93.436","0.007","90","","1275.29","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>rac-N</i>-(3-fluorophenyl)-<i>cis</i>-2-carboxy-1-cyclohexanamide","<i>rac</i>-<i>cis</i>-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0895","0.0438","","","0.0824","0.0924","","","","","","0.861","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018530","10.7554","0.0003","6.6709","0.0002","16.8466","0.0004","90","","95.275","0.003","90","","1203.59","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(4-fluorophenyl)-perhydroisoindolyl-1,3-dione","<i>cis</i>-2-(4-fluorophenyl)-3a,4,5,6,7,7a-hexahydroisoindoline-1,3-dione","","- C14 H14 F N O2 -","- C14 H14 F N O2 -","- C56 H56 F4 N4 O8 -","4","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0489","0.0353","","","0.0871","0.0905","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018531","5.248","0.002","11.422","0.003","14.952","0.004","84.38","0.03","82.29","0.03","79.83","0.03","871.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","baicalein‒nicotinamide (1/1)","pyridine-3-carboxamide‒5,6,7-trihydroxy-2-phenyl-4<i>H</i>-chromen-4-one (1/1)","","- C21 H16 N2 O6 -","- C21 H16 N2 O6 -","- C42 H32 N4 O12 -","2","1","FG3251","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","A 1:1 cocrystal of baicalein with nicotinamide","Acta Crystallographica Section C","2012","68","7","o262","o265","10.1107/S0108270112024456","","","0.71073","MoKα","","0.0996","0.0583","","","0.1709","0.1807","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018532","10.7246","0.001","7.1767","0.0006","16.3492","0.0015","90","","104.779","0.001","90","","1216.72","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-chlorophenylhydrazone","","- C14 H10 Cl N3 -","- C14 H10 Cl N3 -","- C56 H40 Cl4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0343","0.0302","","","0.0777","0.0798","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018533","10.6804","0.0008","7.315","0.0006","16.5427","0.0013","90","","105.5","0.001","90","","1245.43","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-bromophenylhydrazone","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0327","0.0279","","","0.0662","0.0677","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018534","8.9757","0.0011","20.547","0.002","7.3703","0.0009","90","","95.137","0.002","90","","1353.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-iodophenylhydrazone","","- C14 H10 I N3 -","- C14 H10 I N3 -","- C56 H40 I4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.03","0.0248","","","0.0558","0.0578","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018535","7.7963","0.0006","9.8952","0.0008","16.5695","0.0013","90","","91.07","0.001","90","","1278.05","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-bromobenzaldehyde 4-cyanophenylhydrazone","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0267","0.023","","","0.0567","0.0581","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018536","7.9108","0.0008","10.0376","0.0011","16.6958","0.0018","90","","90.871","0.002","90","","1325.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-iodobenzaldehyde 4-cyanophenylhydrazone","","- C14 H10 I N3 -","- C14 H10 I N3 -","- C56 H40 I4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0299","0.0254","","","0.0659","0.068","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018537","9.7426","0.0008","6.1015","0.0005","21.7139","0.0018","90","","96.175","0.001","90","","1283.28","0.18","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(<i>E</i>)-4-chlorobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C52 H40 Cl4 N12 O8 -","4","2","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0591","0.046","","","0.1159","0.1256","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018538","6.126","0.0007","16.404","0.002","12.951","0.0016","90","","101.091","0.002","90","","1277.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-nitrobenzaldehyde 4-chlorophenylhydrazone","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C52 H40 Cl4 N12 O8 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0659","0.041","","","0.1056","0.118","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018539","15.6514","0.0005","15.6514","0.0005","13.06","0.0004","90","","90","","90","","3199.26","0.17","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","[5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)","","- C45 H28 N4 Ni O -","- C45 H28 N4 Ni O -","- C180 H112 N16 Ni4 O4 -","4","0.25","FG3258","Spencer, Lara C.; Yao, Shu A.; Berry, John F.; Guzei, Ilia A.","An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)","Acta Crystallographica Section C","2012","68","7","m197","m199","10.1107/S010827011202642X","","","0.71073","MoKα","","0.0318","0.028","","","0.0778","0.0797","","","","","","1.156","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018540","11.0907","0.0016","11.1644","0.0016","13.48","0.002","90","","101.664","0.002","90","","1634.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","chlorido{2,2-dimethyl-<i>N</i>-[(<i>E</i>)-1-(pyridin-2-yl)ethylidene]propane- 1,3-diamine}platinum(II) tetrafluoridoborate","","- C12 H19 B Cl F4 N3 Pt -","- C12 H19 B Cl F4 N3 Pt -","- C48 H76 B4 Cl4 F16 N12 Pt4 -","4","1","FN3105","Salmond, Rosanne C.; Munro, Orde Q.","π‒π Dimerization of a mono(pyridyl‒imine) platinum(II) chelate","Acta Crystallographica Section C","2012","68","7","m189","m193","10.1107/S0108270112023748","","","0.71073","MoKα","","0.0305","0.0288","","","0.074","0.0752","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018541","10.306","0.0004","6.0041","0.0002","4.69281","0.00015","90","","90","","90","","290.383","0.018","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium Iron Phosphate","Lithium iron phosphate","","- Fe3.74 Li3.88 O16 P4 -","- Fe3.74 Li3.88 O16 P4 -","- Fe3.74 Li3.88 O16 P4 -","1","0.125","FN3107","Dal Bo, Fabrice; Hatert, Frédéric","Li~0.97~Fe^II^~0.79~Fe^III^~0.15~(PO~4~), a new oxidized triphylite-type phosphate","Acta Crystallographica Section C","2012","68","7","i53","i54","10.1107/S0108270112026649","","","0.7107","MoKα","","0.0305","0.0284","","","0.0707","0.0721","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018542","13.4722","0.0006","16.4269","0.0008","14.8673","0.0007","90","","108.243","0.002","90","","3124.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5''-[(<i>E</i>)-2,3-Dichlorobenzylidene]-7'-(2,3-dichlorophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H26 Cl4 N2 O2 S -","- C35 H26 Cl4 N2 O2 S -","- C140 H104 Cl16 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0818","0.0469","","","0.1129","0.1337","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018543","14.8802","0.0005","9.6789","0.0003","20.2209","0.0006","90","","104.155","0.002","90","","2823.87","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5''-[(<i>E</i>)-4-fluorobenzylidene]-7'-(4-fluorophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H28 F2 N2 O2 S -","- C35 H28 F2 N2 O2 S -","- C140 H112 F8 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0717","0.0428","","","0.1115","0.1403","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018544","14.2275","0.0007","15.6753","0.0008","15.378","0.0007","90","","116.761","0.002","90","","3062.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5''-[(<i>E</i>)-4-bromobenzylidene]-7'-(4-bromophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H28 Br2 N2 O2 S -","- C35 H28 Br2 N2 O2 S -","- C140 H112 Br8 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0871","0.0444","","","0.117","0.1411","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018545","14.668","0.003","10.242","0.002","17.191","0.003","90","","90","","90","","2582.6","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate","","- C18 H34 Cl N O14 -","- C18 H34 Cl N O14 -","- C72 H136 Cl4 N4 O56 -","4","1","KY3014","Shi, Ping-ping; Zhang, Li; Ye, Qiong","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","Acta Crystallographica Section C","2012","68","7","o266","o269","10.1107/S0108270112024912","","","0.71073","MoKα","","0.0884","0.0551","","","0.1306","0.1481","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018546","14.634","0.003","10.177","0.002","17.116","0.003","90","","90","","90","","2549.1","0.9","293","","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","","- C18 H34 B F4 N O10 -","- C18 H34 B F4 N O10 -","- C72 H136 B4 F16 N4 O40 -","4","1","KY3014","Shi, Ping-ping; Zhang, Li; Ye, Qiong","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","Acta Crystallographica Section C","2012","68","7","o266","o269","10.1107/S0108270112024912","","","0.71073","MoKα","","0.1095","0.0642","","","0.1658","0.1951","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018547","23.0859","0.001","19.2656","0.0009","15.7659","0.0008","90","","92.873","0.004","90","","7003.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate","","- C5 H36 Mo5 N15 O25.5 P2 -","- C5 H36 Mo5 N15 O25.5 P2 -","- C40 H288 Mo40 N120 O204 P16 -","8","2","QS3013","Di Tondo, Pietro; Pritchard, Robin Gavin","Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate, (CH~6~N~3~)~5~[HP~2~Mo~5~O~23~]·2.5H~2~O: hydrogen bonding and π-stacking in guanidinium cations","Acta Crystallographica Section C","2012","68","7","i50","i52","10.1107/S0108270112024419","","","0.71073","MoKα","","0.0834","0.0487","","","","0.1062","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018548","10.0259","0.0012","6.9271","0.0008","13.9278","0.0012","90","","127.63","0.005","90","","766.07","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aqua(μ~2~-1<i>H</i>-imidazole-4-carboxylato- κ^3^<i>N</i>^3^,<i>O</i>:<i>O'</i>)hemi(μ~2~-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)cadmium(II)]","","- C5 H5 Cd N2 O5 -","- C5 H5 Cd N2 O5 -","- C20 H20 Cd4 N8 O20 -","4","1","SF3171","Yin, Xia; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","A new two-dimensional cadmium coordination polymer with 1<i>H</i>-imidazole-4-carboxylate and oxalate","Acta Crystallographica Section C","2012","68","7","m177","m180","10.1107/S0108270112023153","","","0.71073","MoKα","","0.0349","0.0323","","","0.0869","0.089","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018549","14.2076","0.0002","15.9721","0.0003","11.392","0.0002","90","","90","","90","","2585.13","0.08","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(3a<i>R</i>,8a<i>R</i>)-2,2-dimethyl-4,4,8,8-tetraphenyl-4,5,6,7,8,8a- hexahydro-3a<i>H</i>-1,3-dioxolo[4,5-<i>e</i>][1,3]diazepin-6-one 0.33-hydrate","","- C32 H30.65 N2 O3.33 -","- C32 H30.655 N2 O3.3275 -","- C128 H122.62 N8 O13.31 -","4","1","SK3439","Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel","XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative","Acta Crystallographica Section C","2012","68","7","o247","o252","10.1107/S010827011202358X","","","0.71073","MoKα","","0.0891","0.0531","","","0.1165","0.1468","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018550","14.2212","0.0002","15.9917","0.0002","11.392","0.0002","90","","90","","90","","2590.78","0.07","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(3a<i>S</i>,8a<i>S</i>)-2,2-dimethyl-4,4,8,8-tetraphenyl-4,5,6,7,8,8a- hexahydro-3a<i>H</i>-1,3-dioxolo[4,5-<i>e</i>][1,3]diazepin-6-one 0.39-hydrate","","- C32 H30.8 N2 O3.4 -","- C32 H30.784 N2 O3.392 -","- C128 H123.136 N8 O13.568 -","4","1","SK3439","Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel","XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative","Acta Crystallographica Section C","2012","68","7","o247","o252","10.1107/S010827011202358X","","","0.71073","MoKα","","0.0609","0.0486","","","0.1336","0.1432","","","","","","1.14","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018551","10.119","0.002","12.37","0.003","12.962","0.003","103.19","0.03","111.06","0.03","109.3","0.03","1313.5","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[di-μ-iodido-dicopper(I)]- bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']] <i>p</i>-toluidine tetrasolvate]","","- C54 H64 Cu2 I2 N8 -","- C54 H64 Cu2 I2 N8 -","- C54 H64 Cu2 I2 N8 -","1","0.5","YF3014","Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping","Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2012","68","7","m181","m184","10.1107/S0108270112025577","","","0.71073","MoKα","","0.0385","0.0304","","","0.0673","0.0693","","","","","","0.949","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018552","17.7","0.004","14.604","0.003","13.757","0.003","90","","109.53","0.03","90","","3351.5","1.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[di-μ-iodido-dicopper(I)]- bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']] 1,4-diiodobenzene monosolvate]","","- C32 H32 Cu2 I4 N4 -","- C32 H32 Cu2 I4 N4 -","- C128 H128 Cu8 I16 N16 -","4","0.5","YF3014","Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping","Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2012","68","7","m181","m184","10.1107/S0108270112025577","","","0.71073","MoKα","","0.0341","0.0316","","","0.0782","0.0798","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018553","7.235","0.0014","10.705","0.002","11.624","0.002","75.25","0.03","82.58","0.03","84.91","0.03","861.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","poly[(dihydrogenphosphato-κ<i>O</i>)(μ~3~-hydrogenphosphato)di-μ-oxido- (1,10-phenanthroline)copper(II)vanadium(V)]","","- C12 H11 Cu N2 O10 P2 V -","- C12 H8 Cu N2 O10 P2 V -","- C24 H16 Cu2 N4 O20 P4 V2 -","2","1","YP3013","Venegas-Yazigi, Diego; Vega, Andres; Valdes de la Barra, Karen; Saldias, Marianela; Le Fur, Eric","A new hybrid organic‒inorganic chain: [(phen)Cu‒μ-(κ^2^<i>O</i>:<i>O</i>'-VP~2~O~10~H~3~)~2~‒Cu(phen)]~<i>n~</i>","Acta Crystallographica Section C","2012","68","7","m200","m202","10.1107/S0108270112026005","","","0.71073","MoKα","","0.0315","0.0264","","","0.0726","0.0757","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018554","9.8","0.002","19.039","0.004","6.8975","0.0015","90","","90","","90","","1287","0.5","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C10 H19 Cu N5 O5 -","- C10 H19 Cu N5 O5 -","- C40 H76 Cu4 N20 O20 -","4","1","BG3151","He, Jiao-Jiao; Chai, Wen-Xiang; Song, Li; Niu, Feng; Fang, Xiao-Bin","A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2012","68","8","m206","m208","10.1107/S0108270112028442","","","0.71075","MoKα","","0.0304","0.0264","","","0.0595","0.0614","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018555","11.1247","0.0011","13.8704","0.0014","16.0515","0.0019","90","","98.621","0.002","90","","2448.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~2~-4,4'-bipyridine)(μ~3~-5-isonicotinamidoisophthalato)cobalt(II)] trihydrate]","","- C24 H22 Co N4 O8 -","- C24 H22 Co N4 O8 -","- C96 H88 Co4 N16 O32 -","4","1","BG3154","Deng, Yi-Fang; Xu, Jin-Sheng; Chen, Man-Sheng; Zhang, Chun-Hua","Poly[[(μ~2~-4,4'-bipyridine)(μ~3~-5-isonicotinamidoisophthalato)cobalt(II)] trihydrate]","Acta Crystallographica Section C","2012","68","8","m219","m222","10.1107/S0108270112030582","","","0.71073","MoKα","","0.0629","0.0463","","","0.1042","0.1109","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018556","11.9376","0.0001","7.3761","0.0001","18.1618","0.0002","90","","102.979","0.001","90","","1558.34","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-{[2-(6-Methoxynaphthalen-1-yl)ethyl]amino}ethylidene)oxidanium bromide monohydrate","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C60 H80 Br4 N4 O12 -","4","1","BI3043","Huang, Yu; Zhong, Jia-Liang; Hanbin, Shan; Li, Min; Yuan, Zhe-Dong","(1-{[2-(6-Methoxynaphthalen-1-yl)ethyl]amino}ethylidene)oxidanium bromide monohydrate","Acta Crystallographica Section C","2012","68","8","o308","o310","10.1107/S0108270112029885","","","1.54178","CuKα","","0.0275","0.0263","","","0.0696","0.0706","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018557","18.2223","0.0012","18.2223","0.0012","11.2387","0.0006","90","","90","","120","","3231.9","0.3","210","2","210","2","","","","","","","","3","P 61","P 61","169","CinerinC","(7<i>S</i>,8<i>R</i>,3'<i>R</i>,4'<i>S</i>,5'<i>R</i>)-Δ^8'^-4'-hydroxy- 5,5',3'-trimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2'-oxo- 7.3',8.5'-neolignan monohydrate","","- C22 H28 O8 -","- C22 H26 O7 -","- C132 H156 O42 -","6","1","BM3119","Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe","Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from <i>Pleurothyrium cinereum</i> (Lauraceae)","Acta Crystallographica Section C","2012","68","8","o320","o322","10.1107/S0108270112030946","","","0.71073","MoKα","","0.0403","0.0364","","","0.0905","0.0923","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018558","6.6313","0.0004","18.5174","0.0011","8.3354","0.0005","90","","91.352","0.001","90","","1023.26","0.11","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,8-dinitro-2,4-dihydro-1<i>H</i>- benzo[<i>b</i>][1,2,4]triazolo[4,3-<i>d</i>][1,4]oxazin-1-one","","- C9 H5 N5 O6 -","- C9 H5 N5 O6 -","- C36 H20 N20 O24 -","4","1","CU3013","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Structures of benzoxazine-fused triazoles as potential diuretic agents","Acta Crystallographica Section C","2012","68","8","o302","o307","10.1107/S0108270112029800","","","0.71073","MoKα","","0.0501","0.0484","","","0.1286","0.1302","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018559","7.2636","0.0008","17.673","0.002","12.0447","0.0013","90","","90","","90","","1546.2","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-(2-hydroxy-4-oxopent-2-en-3-yl)-6,8-dinitro-2,4-dihydro- 1<i>H</i>-benzo[<i>b</i>][1,2,4]triazolo[4,3-<i>d</i>][1,4]oxazin-1-one","","- C14 H11 N5 O8 -","- C14 H11 N5 O8 -","- C56 H44 N20 O32 -","4","1","CU3013","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Structures of benzoxazine-fused triazoles as potential diuretic agents","Acta Crystallographica Section C","2012","68","8","o302","o307","10.1107/S0108270112029800","","","0.71073","MoKα","","0.038","0.0369","","","0.0966","0.0977","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018560","13.316","0.003","14.195","0.003","9.02","0.002","90","","115.775","0.011","90","","1535.3","0.6","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","EG3093","Frøstrup, Brian; Peters, Dan; Bond, Andrew D.","Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","Acta Crystallographica Section C","2012","68","8","o298","o301","10.1107/S0108270112030569","","","0.71073","MoKα","","0.0468","0.0357","","","0.0806","0.0836","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018561","9.0244","0.0002","9.7278","0.0002","9.7492","0.0002","92.9699","0.001","107.457","0.001","107.551","0.0009","768.85","0.03","180","2","180","2","","","","","","","","5","P 1","P 1","1","NS9544.1320","(1<i>S</i>,5<i>R</i>)-3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","2","EG3093","Frøstrup, Brian; Peters, Dan; Bond, Andrew D.","Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","Acta Crystallographica Section C","2012","68","8","o298","o301","10.1107/S0108270112030569","","","0.71073","MoKα","","0.0292","0.0281","","","0.0727","0.0737","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018562","7.5","0.0006","12.144","0.002","16.844","0.003","90","","100.625","0.008","90","","1507.8","0.4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II)","","- C15 H15 Br N2 O2 Pt -","- C15 H15 Br N2 O2 Pt -","- C60 H60 Br4 N8 O8 Pt4 -","4","1","EG3094","Tenne, Mario; Unger, Yvonne; Strassner, Thomas","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II)","Acta Crystallographica Section C","2012","68","8","m203","m205","10.1107/S0108270112027783","","","0.71073","MoKα","","0.0315","0.0186","","","0.0319","0.0351","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018563","10.6198","0.0007","10.244","0.0007","16.503","0.001","90","","92.167","0.001","90","","1794.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>- di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate","","- C28 H36 Cl2 Co2 N8 O12 -","- C28 H36 Cl2 Co2 N8 O12 -","- C56 H72 Cl4 Co4 N16 O24 -","2","0.5","FG3263","Maass, John S.; Luck, Rudy L.; Zeller, Matthias","The first dinuclear cobalt complex bridged by acetylamidate ligands: di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>-di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section C","2012","68","8","m233","m234","10.1107/S0108270112031964","","","0.71073","MoKα","","0.0482","0.0367","","","","0.0853","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018564","4.1871","0.0001","21.1132","0.0006","4.3912","0.0001","90","","90","","90","","388.196","0.017","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","dilanthanum lithium hexagermanide","","- Ge11.58 La4 Li2 -","- Ge11.584 La4 Li2 -","- Ge11.584 La4 Li2 -","1","0.0625","FN3108","Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr","Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~","Acta Crystallographica Section C","2012","68","8","i60","i64","10.1107/S0108270112031526","","","0.71073","MoKα","","0.0244","0.0244","","","0.0586","0.0586","","","","","","1.195","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018565","4.1462","0.0001","21.0674","0.0006","4.3704","0.0001","90","","90","","90","","381.753","0.017","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","dilanthanum lithium tetragermanium disilicide","","- Ge4 La2 Li Si2 -","- Ge4 La2 Li Si2 -","- Ge8 La4 Li2 Si4 -","2","0.125","FN3108","Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr","Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~","Acta Crystallographica Section C","2012","68","8","i60","i64","10.1107/S0108270112031526","","","0.71073","MoKα","","0.0204","0.0204","","","0.0445","0.0445","","","","","","1.202","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018566","12.8896","0.0004","8.0048","0.0002","24.53","0.0005","90","","121.19","0.001","90","","2165.13","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaquabis(1-naphthoato-κ<i>O</i>)magnesium(II)]-μ-aqua] dihydrate]","","- C22 H24 Mg O9 -","- C22 H24 Mg O9 -","- C88 H96 Mg4 O36 -","4","1","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.1395","0.0587","","","0.1201","0.1497","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018567","21.079","0.001","11.441","0.0006","7.72","0.0003","90","","93.994","0.003","90","","1857.27","0.15","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[diaquacalcium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 Ca O6 -","- C22 H18 Ca O6 -","- C88 H72 Ca4 O24 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.0556","0.0358","","","0.0713","0.0773","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018568","21.274","0.0019","11.3397","0.001","7.9619","0.0005","90","","94.52","0.004","90","","1914.8","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[diaquastrontium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 O6 Sr -","- C22 H18 O6 Sr -","- C88 H72 O24 Sr4 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.0676","0.0453","","","0.0912","0.0996","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018569","20.464","0.003","11.9699","0.0015","8.2812","0.001","90","","90","","90","","2028.5","0.5","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>catena</i>-poly[[diaquabarium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 Ba O6 -","- C22 H18 Ba O6 -","- C88 H72 Ba4 O24 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.8252","synchrotron","","0.0429","0.0414","","","0.1243","0.1259","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018570","13.0728","0.0002","15.9452","0.0003","19.4565","0.0004","75.217","0.001","75.262","0.001","74.2","0.001","3697.98","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato- κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate","","- C91.5 H96 Al N3 O3 -","- C91.5 H96 Al N3 O3 -","- C183 H192 Al2 N6 O6 -","2","1","GZ3214","Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.","Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato-κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate","Acta Crystallographica Section C","2012","68","8","m226","m228","10.1107/S0108270112031952","","","0.71073","MoKα","","0.1268","0.0764","","","0.1376","0.1547","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018571","14.1516","0.0002","7.0064","0.0001","18.3134","0.0002","90","","90","","90","","1815.81","0.04","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(9-Fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C88 H64 F8 N8 O24 -","8","1","KU3066","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K","Acta Crystallographica Section C","2012","68","8","o288","o293","10.1107/S0108270112025620","","","0.71073","MoKα","","0.0624","0.0437","","","0.1109","0.1226","","","","","","1.053","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018572","9.4306","0.0001","14.8892","0.0002","21.4949","0.0002","98.764","0.001","97.61","0.001","94.013","0.001","2944.13","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(9-Chloro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H8 Cl N O3 -","- C11 H8 Cl N O3 -","- C132 H96 Cl12 N12 O36 -","12","6","KU3066","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K","Acta Crystallographica Section C","2012","68","8","o288","o293","10.1107/S0108270112025620","","","0.71073","MoKα","","0.0547","0.0419","","","0.0981","0.1073","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018573","11.2228","0.0003","10.0097","0.0003","18.7285","0.0004","90","","90","","90","","2103.9","0.1","295","2","295","2","98","","","","","","","4","P b c a","-P 2ac 2ab","61","<i>N</i>,<i>N</i>-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","KU3073","Minkov, Vasily S.; Boldyreva, Elena V.","The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate","Acta Crystallographica Section C","2012","68","8","o283","o287","10.1107/S0108270112027643","","","0.71073","MoKα","","0.0445","0.041","","","0.1117","0.1148","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018574","20.0403","0.0008","10.7329","0.0004","11.112","0.0005","90","","103.78","0.004","90","","2321.29","0.17","295","2","295","2","98","","","","","","","4","C 1 2/c 1","-C 2yc","15","<i>N</i>,<i>N</i>-dimethylglycine hemihydrate","2-(Dimethylamino)acetic acid hemihydrate","","- C4 H10 N O2.5 -","- C4 H10 N O2.5 -","- C64 H160 N16 O40 -","16","2","KU3073","Minkov, Vasily S.; Boldyreva, Elena V.","The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate","Acta Crystallographica Section C","2012","68","8","o283","o287","10.1107/S0108270112027643","","","0.71073","MoKα","","0.0548","0.0422","","","0.1095","0.119","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018575","31.688","0.002","6.7674","0.0005","13.146","0.001","90","","106.545","0.006","90","","2702.4","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-({[4-(dimethylamino)phenyl]imino}methyl)-4-nitrophenol","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","1","LG3082","Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari","Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols","Acta Crystallographica Section C","2012","68","8","o279","o282","10.1107/S0108270112025589","","","0.71073","MoKα","","0.1718","0.0816","","","0.1394","0.1665","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018576","6.5848","0.0001","22.2544","0.0004","10.8735","0.0002","90","","106.811","0.001","90","","1525.32","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-({[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","LG3082","Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari","Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols","Acta Crystallographica Section C","2012","68","8","o279","o282","10.1107/S0108270112025589","","","0.71073","MoKα","","0.0859","0.0556","","","0.111","0.1228","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018577","9.5231","0.0014","9.5231","0.0014","15.633","0.002","90","","90","","120","","1227.8","0.3","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Potassium diaquacobalt(II) <i>catena</i>-borodiphosphate 0.48-hydrate","","- B Co H4.96 K O10.48 P2 -","- B Co K0.999 O10.48 P2 -","- B6 Co6 K5.994 O62.88 P12 -","6","0.5","LG3086","Guesmi, Abderrahmen; Driss, Ahmed","KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes","Acta Crystallographica Section C","2012","68","8","i55","i59","10.1107/S0108270112030284","","","0.71073","MoKα","","0.0377","0.0374","","","0.0947","0.095","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018578","9.472","0.0015","9.472","0.0015","15.872","0.006","90","","90","","120","","1233.2","0.5","293","2","293","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","Potassium calcium diaquacobalt(II) <i>catena</i>-borodiphosphate monohydrate","","- B Ca0.42 Co H6 K0.17 O11 P2 -","- B Ca0.418 Co H4 K0.172 O11 P2 -","- B6 Ca2.508 Co6 H24 K1.032 O66 P12 -","6","0.5","LG3086","Guesmi, Abderrahmen; Driss, Ahmed","KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes","Acta Crystallographica Section C","2012","68","8","i55","i59","10.1107/S0108270112030284","","","0.71073","MoKα","","0.029","0.0261","","","0.0684","0.0705","","","","","","0.984","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018579","7.156","0.0005","9.8692","0.0006","12.9585","0.0008","95.853","0.001","90.544","0.001","95.643","0.001","905.82","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~- 2-sulfonatobutanedioato)copper(II)sodium(I)]","","- C28 H34 Cu2 N4 Na2 O20 S2 -","- C28 H34 Cu2 N4 Na2 O20 S2 -","- C28 H34 Cu2 N4 Na2 O20 S2 -","1","0.5","LG3089","Fu, Jiang-Hong; Wang, Yu-Ling; Chen, Ying; Hu, Chang-Hui; Tang, Li","A one-dimensional heterometallic coordination polymer with a three-dimensional supramolecular framework: poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~-2-sulfonatobutanedioato)copper(II)sodium(I)]","Acta Crystallographica Section C","2012","68","8","m209","m212","10.1107/S0108270112030909","","","0.71073","MoKα","","0.042","0.032","","","0.0805","0.086","","","","","","1.007","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2018580","6.1986","0.0003","24.547","0.0012","8.1004","0.0004","90","","95.37","0.004","90","","1227.12","0.1","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","physcion","7-methoxy-2-methyl-4,5-dihydroxyanthracene-9,10-dione","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","MX3079","Hopf, Henning; Jones, Peter G.; Goclik, Eva; Aust, Pauline; Rödiger, Johanna","A new polymorph of physcion","Acta Crystallographica Section C","2012","68","8","o317","o319","10.1107/S010827011203020X","","","1.54184","CuKα","","0.0468","0.0432","","","0.1219","0.1256","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018581","22.1562","0.0002","6.9556","0.0007","25.0366","0.0005","90","","90","","90","","3858.4","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ag4 N2 O4 S2 -","- C16 H16 Ag4 N2 O4 S2 -","- C128 H128 Ag32 N16 O32 S16 -","8","1","QS3015","Sun, Di; Yan, Zhi-Hao","A novel one-dimensional silver cylinder stabilized by mixed 2-mercaptobenzoic acid and ethylenediamine ligands","Acta Crystallographica Section C","2012","68","8","m229","m232","10.1107/S0108270112031125","","","0.71073","MoKα","","0.0647","0.0439","","","0.0816","0.1128","","","","","","1.195","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018582","5.709","0.002","10.284","0.003","32.795","0.009","90","","90","","90","","1925.4","1","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Histdinium inosine 3':5'-cyclic phosphate","5-(2-amino-2-carboxyethyl)-1<i>H</i>-imidazol-3-ium 7-hydroxy-2-oxo-6-(6-oxo-6,9-dihydro-1<i>H</i>-purin-9-yl)-4a,6,7,7a-tetrahydro- 4<i>H</i>-1,3,5,2λ^5^-furo[3,2-<i>d</i>][1,3,2λ^5^]dioxaphosphinin-2-olate","","- C16 H20 N7 O9 P -","- C16 H20 N7 O9 P -","- C64 H80 N28 O36 P4 -","4","1","QS3016","Ślepokura, Katarzyna","The first 3':5'-cyclic nucleotide‒amino acid complex: <small>L</small>-His‒cIMP","Acta Crystallographica Section C","2012","68","8","o311","o316","10.1107/S0108270112030041","","","0.71073","MoKα","","0.0323","0.0296","","","0.0762","0.0771","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018583","11.035","0.0003","10.1713","0.0003","11.8533","0.0003","90","","93.678","0.002","90","","1327.68","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","PH46 (S)-(-)-methylbenzylamine salt","(1<i>S</i>)-1-Phenylethanaminium 4-{[(1<i>S</i>,2<i>S</i>)-1-hydroxy-2,3-dihydro-1<i>H</i>,1'<i>H</i>- [2,2'-biinden]-2-yl]methyl}benzoate","","- C34 H33 N O3 -","- C34 H33 N O3 -","- C68 H66 N2 O6 -","2","1","SK3440","Frampton, Christopher S.; Zhang, Tao; Scalabrino, Gaia A.; Frankish, Neil; Sheridan, Helen","(1<i>S</i>)-1-Phenylethanaminium 4-{[(1<i>S</i>,2<i>S</i>)-1-hydroxy-2,3-dihydro-1<i>H</i>,1'<i>H</i>-[2,2'-biinden]-2-yl]methyl}benzoate","Acta Crystallographica Section C","2012","68","8","o323","o326","10.1107/S0108270112031265","","","1.54178","CuKα","","0.0358","0.0354","","","0.0973","0.098","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018584","5.989","0.001","5.663","0.001","22.282","0.001","90","","97.07","0.01","90","","749.96","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","terebic acid","(±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","UK3046","Santos, L. M.; Legendre, A. O.; Villis, P. C. M.; Viegas Jr, C.; Doriguetto, A. C.","(±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid (terebic acid): a racemic layered structure","Acta Crystallographica Section C","2012","68","8","o294","o297","10.1107/S0108270112029563","","","0.71073","MoKα","","0.0601","0.0423","","","","0.1148","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018585","11.9699","0.0018","12.3754","0.0019","12.4793","0.0019","104.369","0.003","95.465","0.003","95.802","0.003","1767.6","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","Pd1a-Qu","(<i>SP</i>-4‒4)-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]- chlorido(quinoline-κ<i>N</i>)palladium(II) acetone hemisolvate","","- C18.5 H20 Cl N2 O0.5 Pd -","- C18.5 H20 Cl N2 O0.5 Pd -","- C74 H80 Cl4 N8 O2 Pd4 -","4","4","YF3015","Raven, William; Kalf, Irmgard; Englert, Ulli","Pseudosymmetry in a cyclopalladated compound","Acta Crystallographica Section C","2012","68","8","m223","m225","10.1107/S0108270112030776","","","0.71073","MoKα","","0.0706","0.0535","","","0.1062","0.1157","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018586","6.1869","0.0012","7.2241","0.0014","31.941","0.006","90","","90.42","0.03","90","","1427.6","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4- bromophenylsulfonyl)dithiocarbimato]dipotassium]","","- C7 H8 Br K2 N O4 S3 -","- C7 H8 Br K2 N O4 S3 -","- C28 H32 Br4 K8 N4 O16 S12 -","4","1","BG3152","Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L.","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium]","Acta Crystallographica Section C","2012","68","11","m312","m316","10.1107/S0108270112040589","","","0.71073","MoKα","","0.1472","0.0628","","","0.0941","0.1096","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018587","16.155","0.003","6.3794","0.0013","14.549","0.003","90","","91.86","0.03","90","","1498.6","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-aqua-[μ~4~-<i>N</i>-(4- iodophenylsulfonyl)dithiocarbimato]dipotassium]","","- C7 H8 I K2 N O4 S3 -","- C7 H8 I K2 N O4 S3 -","- C28 H32 I4 K8 N4 O16 S12 -","4","1","BG3152","Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L.","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium]","Acta Crystallographica Section C","2012","68","11","m312","m316","10.1107/S0108270112040589","","","0.71073","MoKα","","0.0645","0.032","","","0.0535","0.0592","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018588","5.6353","0.0014","30.987","0.008","10.817","0.003","90","","95.232","0.004","90","","1881","0.9","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4,6-Tri-<i>O</i>-acetyl-1,2-<i>O</i>-[1-(<i>exo</i>-ethoxy)ethylidene]- β-D-mannopyranose 0.11-hydrate","","- C16 H24.22 O10.11 -","- C16 H24.222 O10.111 -","- C64 H96.888 O40.444 -","4","2","BI3042","Liu, Ya-Ling; Zou, Pei; Wu, Hao; Xie, Min-Hao; Luo, Shi-Neng","3,4,6-Tri-<i>O</i>-acetyl-1,2-<i>O</i>-[1-(<i>exo</i>-ethoxy)ethylidene]-β-<small>D</small>-mannopyranose 0.11-hydrate","Acta Crystallographica Section C","2012","68","9","o338","o340","10.1107/S0108270112032076","","","0.71073","MoKα","","0.0724","0.0483","","","0.0828","0.0921","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018589","10.5118","0.0009","11.0929","0.001","11.2047","0.001","72.749","0.002","75.862","0.002","81.398","0.002","1205.77","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Benzenesulfonate boron subphthalocyanine","(benzenesulfonato)(subphthalocyaninato)boron","","- C30 H17 B N6 O3 S -","- C30 H17 B N6 O3 S -","- C60 H34 B2 N12 O6 S2 -","2","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","0.71073","MoKα","","0.0604","0.0381","","","0.0852","0.0937","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018590","13.8349","0.0007","13.8988","0.0008","14.3887","0.0008","90","","112.466","0.004","90","","2556.8","0.3","150","1","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-nitrobenzenesulfonate boron subphthalocyanine","(3-nitrobenzenesulfonato)(subphthalocyaninato)boron","","- C30 H16 B N7 O5 S -","- C30 H16 B N7 O5 S -","- C120 H64 B4 N28 O20 S4 -","4","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","1.54178","CuKα","","0.0887","0.0738","","","0.2022","0.2162","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018591","11.3713","0.0007","11.6114","0.0007","16.276","0.0011","90","","94.774","0.004","90","","2141.6","0.2","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","methanesulfonate boron subphthalocyanine","(methanesulfonato)(subphthalocyaninato)boron","","- C25 H15 B N6 O3 S -","- C25 H15 B N6 O3 S -","- C100 H60 B4 N24 O12 S4 -","4","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","1.54178","CuKα","","0.0443","0.0402","","","0.0992","0.1008","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018592","10.542","0.002","17.931","0.004","17.136","0.003","90","","107.51","0.03","90","","3089.1","1.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<i>D</i>- threopentofuranosyl]thymine ethyl acetate 0.25-solvate","","- C32 H34 N2 O7.5 -","- C32 H34 N2 O7.5 -","- C128 H136 N8 O30 -","4","2","BI3048","Zou, Pei; Wu, Hao; Liu, Yaling; Xie, Minhao; Wang, Hongyong","{5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<small>D</small>-threopentofuranosyl}thymine ethyl acetate 0.25-solvate","Acta Crystallographica Section C","2012","68","11","o472","o474","10.1107/S010827011204351X","","","0.71073","MoKα","","0.0621","0.0557","","","0.1457","0.151","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018593","7.3557","0.0004","8.363","0.0004","11.7128","0.0006","100.453","0.004","97.232","0.004","104.042","0.004","676.4","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0466","0.0347","","","0.0844","0.0872","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018594","11.7119","0.0005","6.6705","0.0003","17.2898","0.0008","90","","109.482","0.005","90","","1273.42","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(4-methoxyphenyl)-cyclohexane-1,2-diimide","2-(4-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0491","0.0347","","","0.0851","0.0882","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018595","6.4958","0.0002","12.5236","0.0004","16.1281","0.0006","90","","90","","90","","1312.03","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(3-carboxyphenyl)cyclohexane-1,2-diimide","<i>cis</i>-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0497","0.0375","","","0.0835","0.0858","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018596","13.077","0.002","6.6713","0.0007","16.432","0.002","90","","97.982","0.013","90","","1419.6","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-<i>cis</i>-4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol- 2-yl)benzoic acid monohydrate","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.1064","0.0518","","","0.1217","0.1322","","","","","","0.853","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018597","4.812","0.0003","14.3729","0.0007","9.9178","0.0005","90","","94.037","0.002","90","","684.24","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-1,3-thiazole-5-carboxylic acid","","- C6 H7 N O2 S -","- C6 H7 N O2 S -","- C24 H28 N4 O8 S4 -","4","1","CU3014","Hazra, Dipak K.; Mukherjee, Monika; Helliwell, Madeleine; Mukherjee, Alok K.","2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100K and Hirshfeld surface analysis","Acta Crystallographica Section C","2012","68","11","o452","o455","10.1107/S010827011204142X","","","0.71073","MoKα","","0.0325","0.0318","","","0.0906","0.0912","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018598","10.6137","0.0014","8.3339","0.001","34.35","0.004","90","","90","","90","","3038.4","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cycyclen","2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol","","- C14 H30 N4 O -","- C14 H30 N4 O -","- C112 H240 N32 O8 -","8","1","DT3014","de Sousa, Alvaro S.; Sannasy, Denzel; Fernandes, Manuel A.; Marques, Helder M.","Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)","Acta Crystallographica Section C","2012","68","10","o383","o386","10.1107/S0108270112037195","","","0.71073","MoKα","","0.0723","0.0449","","","0.1026","0.106","","","","","","0.866","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018599","14.6523","0.0006","9.9342","0.0005","16.0953","0.0006","90","","99.355","0.004","90","","2311.65","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate","","- C21 H21 N O7 S3 -","- C21 H21 N O7 S3 -","- C84 H84 N4 O28 S12 -","4","1","DT3015","Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate: a new member of the (<i>R</i>SO~2~)ON(SO~2~<i>R</i>)~2~ family","Acta Crystallographica Section C","2012","68","10","o417","o420","10.1107/S0108270112039182","","","0.71073","MoKα","","0.1308","0.0524","","","0.0837","0.1021","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018600","5.8256","0.0005","12.5648","0.0012","12.7464","0.0011","90","","100.303","0.007","90","","917.96","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chelidamic acid methanol monosolvate","4-hydroxypyridine-2,6-dicarboxylic acid methanol monosolvate","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C32 H36 N4 O24 -","4","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0424","0.0361","","","0.0921","0.0958","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018601","7.3688","0.0008","11.1416","0.0012","14.3584","0.0015","69.025","0.008","79.438","0.009","72.455","0.009","1045.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","dimethylammonium chelidamate","dimethylammonium 6-carboxy-4-hydroxypyridine-2-carboxylate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","2","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0553","0.0426","","","0.1083","0.1143","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018602","4.746","0.0004","10.4917","0.0009","11.9787","0.0011","103.592","0.007","97.606","0.007","101.651","0.007","557.59","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","chelidamic acid dimethyl sulfoxide monosolvate","4-hydroxypyridine-2,6-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C9 H11 N O6 S -","- C9 H11 N O6 S -","- C18 H22 N2 O12 S2 -","2","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0288","0.0279","","","0.0774","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018603","17.241","0.003","6.1519","0.0012","20.71","0.004","90","","107.96","0.03","90","","2089.6","0.8","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","chelidamic acid dimethyl ester monohydrate","dimethyl 4-hydroxypyridine-2,6-dicarboxylate monohydrate","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C72 H88 N8 O48 -","8","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0582","0.0393","","","0.093","0.1002","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018604","11.7374","0.001","11.6511","0.001","7.5484","0.0008","90","","90","","90","","1032.27","0.17","223","2","223","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[di-μ-chlorido-μ-(4,4'-bipyridazine)-κ^2^<i>N</i>^1^:<i>N</i>^1'^- cadmium(II)]","","- C8 H6 Cd Cl2 N4 -","- C8 H6 Cd Cl2 N4 -","- C32 H24 Cd4 Cl8 N16 -","4","0.25","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.0328","0.0285","","","0.0717","0.0734","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018605","11.7549","0.0008","11.9619","0.0008","7.869","0.0006","90","","90","","90","","1106.47","0.14","223","2","223","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[di-μ-bromido-μ-(4,4'-bipyridazine)-κ^2^<i>N</i>^1^:<i>N</i>^1'^- cadmium(II)]","","- C8 H6 Br2 Cd N4 -","- C8 H6 Br2 Cd N4 -","- C32 H24 Br8 Cd4 N16 -","4","0.25","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.025","0.0238","","","0.0611","0.0615","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018606","8.0106","0.0006","14.3621","0.0013","7.685","0.0006","90","","115.855","0.008","90","","795.65","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetra-μ-iodido-μ~4~-(4,4'-bipyridazine)- κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^1'^:<i>N</i>^2'^-dicadmium(II)]","","- C8 H6 Cd2 I4 N4 -","- C8 H6 Cd2 I4 N4 -","- C16 H12 Cd4 I8 N8 -","2","0.5","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.0199","0.0173","","","0.0393","0.04","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018607","10.7361","0.0002","17.1215","0.0002","15.6226","0.0002","90","","108.009","0.0008","90","","2731.03","0.07","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","trans-[PtCl{E-HN=C(Me)OMe}~2~(PPh~3~)]Cl","<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane- κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate","","- C24 H31 Cl2 N2 O3 P Pt -","- C24 H31 Cl2 N2 O3 P Pt -","- C96 H124 Cl8 N8 O12 P4 Pt4 -","4","1","EG3099","Giardina-Papa, Daniela; Intini, Francesco Paolo; Natile, Giovanni; Pacifico, Concetta","<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate","Acta Crystallographica Section C","2012","68","11","m300","m302","10.1107/S0108270112040826","","","0.71073","MoKα","","0.0695","0.0358","","","0.0569","0.0648","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018608","16.203","0.002","5.9721","0.0009","22.156","0.003","90","","99.223","0.002","90","","2116.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]\ zinc(II)]","","- C20 H24 N6 O4 Zn -","- C20 H24 N6 O4 Zn -","- C80 H96 N24 O16 Zn4 -","4","0.5","EG3100","Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing; Tan, Chun-Yun","A fivefold interpenetrating diamond-like three-dimensional metal‒organic framework: poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)]","Acta Crystallographica Section C","2012","68","11","m309","m311","10.1107/S0108270112042941","","","0.71073","MoKα","","0.0496","0.0379","","","0.0897","0.0943","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018609","14.306","0.003","26.675","0.005","14.436","0.003","90","","99.26","0.03","90","","5437","2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate]","","- C98 H98 N18 O40 P8 -","- C98 H98 N18 O40 P8 -","- C196 H196 N36 O80 P16 -","2","0.5","EM3051","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","The supramolecular architecture of tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate]","Acta Crystallographica Section C","2012","68","9","o351","o354","10.1107/S0108270112033781","","","0.71073","MoKα","","0.1511","0.0548","","","0.072","0.0851","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018610","11.5954","0.0002","31.7767","0.0006","23.7179","0.0005","90","","99.58","0.001","90","","8617.3","0.3","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine- 1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl- 1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido- triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)","","- C43 H40 Fe3 N2 O7 Te2 -","- C43 H40 Fe3 N2 O7 Te2 -","- C344 H320 Fe24 N16 O56 Te16 -","8","2","EM3053","Piryazev, Dmitry A.; Ogienko, Mikhail A.; Virovets, Alexander V.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl-1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido-triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section C","2012","68","11","m320","m322","10.1107/S0108270112040012","","","0.71073","MoKα","","0.0697","0.0372","","","0.0828","0.0966","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018611","4.6539","0.0006","10.18","0.0012","14.3718","0.0017","82.481","0.005","88.127","0.007","78.604","0.006","661.71","0.14","293","","293","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.1056","0.041","","","0.091","0.1099","","","","","","0.84","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018612","5.3708","0.0002","7.2029","0.0003","16.9507","0.0008","96.461","0.002","93.246","0.002","110.029","0.002","608.98","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.0627","0.037","","","0.0827","0.0911","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018613","5.433","0.0003","7.2863","0.0004","17.0874","0.0009","97.426","0.002","92.884","0.002","108.874","0.002","631.62","0.06","293","","293","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.0927","0.0393","","","0.0825","0.0964","","","","","","0.844","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018614","8.5813","0.0003","22.7241","0.0007","8.8506","0.0003","90","","95.76","0.003","90","","1717.17","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C64 H68 N12 O20 -","4","1","FA3277","Lapidus, Saul H.; Lemmerer, Andreas; Bernstein, Joel; Stephens, Peter W.","Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)","Acta Crystallographica Section C","2012","68","9","o335","o337","10.1107/S0108270112029022","powder diffraction","","0.6999","synchrotron","","","","","","","","","","1.475","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018615","26.6479","0.0007","10.7706","0.0003","16.4983","0.0005","90","","99.187","0.003","90","","4674.5","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis{4'-[4-(methylsulfanyl)phenyl]- 4,2':6',4''-terpyridine-κ<i>N</i>^1^}zinc(II)","","- C54 H48 N6 O4 S2 Zn -","- C54 H48 N6 O4 S2 Zn -","- C216 H192 N24 O16 S8 Zn4 -","4","0.5","FA3281","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate","Acta Crystallographica Section C","2012","68","10","m269","m274","10.1107/S010827011203483X","","","0.71073","MoKα","","0.0577","0.0366","","","0.0945","0.0993","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018616","14.1522","0.0003","13.4408","0.0003","23.3887","0.0005","90","","101.342","0.002","90","","4362.04","0.17","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{μ-4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine- κ^2^<i>N</i>^1^:<i>N</i>^1''^}bis[bis(acetylacetonato- κ^2^<i>O</i>,<i>O</i>')zinc(II)]","","- C42 H45 N3 O8 S Zn2 -","- C42 H45 N3 O8 S Zn2 -","- C168 H180 N12 O32 S4 Zn8 -","4","1","FA3281","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate","Acta Crystallographica Section C","2012","68","10","m269","m274","10.1107/S010827011203483X","","","0.71073","MoKα","","0.064","0.0339","","","0.0828","0.0874","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018617","10.8298","0.0003","9.9164","0.0003","26.674","0.0008","90","","91.539","0.001","90","","2863.56","0.15","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(2-chloro- 2,2-difluoroacetyl)phosphoric triamide","","- C30 H29 Cl F2 N3 O2 P -","- C30 H29 Cl F2 N3 O2 P -","- C120 H116 Cl4 F8 N12 O8 P4 -","4","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0533","0.0455","","","0.1246","0.1339","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018618","10.0173","0.001","11.2362","0.0008","14.5992","0.0012","99.351","0.006","109.96","0.008","91.135","0.007","1519","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(3- fluorobenzoyl)phosphoric triamide","","- C35 H33 F N3 O2 P -","- C35 H33 F N3 O2 P -","- C70 H66 F2 N6 O4 P2 -","2","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0605","0.0481","","","0.1321","0.1433","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018619","11.9526","0.0011","12.2897","0.001","12.7463","0.0012","102.074","0.007","104.462","0.008","118.262","0.009","1474.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(3,5- difluorobenzoyl)phosphoric triamide","","- C35 H32 F2 N3 O2 P -","- C35 H32 F2 N3 O2 P -","- C70 H64 F4 N6 O4 P2 -","2","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0543","0.0422","","","0.1082","0.1162","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018620","15.6089","0.0009","6.7055","0.0002","14.2492","0.0008","90","","111.044","0.004","90","","1391.93","0.13","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-1-[(2-methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene","","- C12 H18 O3 S2 -","- C12 H18 O3 S2 -","- C48 H72 O12 S8 -","4","1","FA3283","Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.","<i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex","Acta Crystallographica Section C","2012","68","9","m238","m241","10.1107/S0108270112032192","","","0.71073","MoKα","","0.0297","0.0253","","","0.0662","0.0681","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018621","10.6595","0.0005","12.9818","0.0007","12.2828","0.0008","90","","96.416","0.004","90","","1689.04","0.16","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-dichlorido{1-[(2-methoxyethyl)sulfanyl]-2-[(2- methoxyethyl)sulfinyl]benzene-κ^2^<i>S</i>,<i>S</i>'}palladium(II)","","- C12 H18 Cl2 O3 Pd S2 -","- C12 H18 Cl2 O3 Pd S2 -","- C48 H72 Cl8 O12 Pd4 S8 -","4","1","FA3283","Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.","<i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex","Acta Crystallographica Section C","2012","68","9","m238","m241","10.1107/S0108270112032192","","","0.71073","MoKα","","0.0271","0.0212","","","0.0523","0.054","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018622","15.7098","0.00017","18.8926","0.0002","15.03575","0.00016","90","","90","","90","","4462.6","0.08","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clarithromycin trihydrate","clarithromycin trihydrate","","- C38 H75 N O16 -","- C38 H75 N O16 -","- C152 H300 N4 O64 -","4","1","FA3285","van de Streek, Jacco","Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate","Acta Crystallographica Section C","2012","68","9","o369","o372","10.1107/S0108270112035536","powder diffraction","","1.3","synchrotron","","","","","","","","","","1.193","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018623","10.3504","0.0007","16.0908","0.0011","24.4828","0.0016","90","","90","","90","","4077.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-2-((<i>S</i>)-{1-[(2<i>S</i>,3a<i>S</i>,7a<i>S</i>)-2- carboxyoctahydro-1<i>H</i>-indol-1-yl]-1-oxopropan-2-yl}azaniumyl)pentanoate dimethyl sulfoxide hemisolvate","","- C18 H31 N2 O5.5 S0.5 -","- C18 H31 N2 O5.5 S0.5 -","- C144 H248 N16 O44 S4 -","8","2","FG3257","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Fruziński, Andrzej; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan","Novel pseudopolymorph of the active metabolite of perindopril","Acta Crystallographica Section C","2012","68","9","o341","o343","10.1107/S0108270112032349","","","1.54178","CuKα","","0.0269","0.0268","","","0.0701","0.0702","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018624","14.9815","0.0001","10.9355","0.0001","15.549","0.0002","90","","113.107","0.001","90","","2343.03","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2-methylphenyl)-2,2'-thiodibenzamide","","- C28 H24 N2 O2 S -","- C28 H24 N2 O2 S -","- C112 H96 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0406","0.0346","","","0.0902","0.0951","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018625","20.6504","0.0003","15.3378","0.0002","7.5101","0.0001","90","","95.52","0.001","90","","2367.66","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2-bromophenyl)-2,2'-thiodibenzamide","","- C26 H18 Br2 N2 O2 S -","- C26 H18 Br2 N2 O2 S -","- C104 H72 Br8 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0599","0.048","","","0.1297","0.1397","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018626","7.8786","0.0001","17.3269","0.0002","18.396","0.0002","90","","95.787","0.001","90","","2498.47","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-bis(2-ethylphenyl)-2,2'-thiodibenzamide","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C120 H112 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0364","0.0345","","","0.0898","0.0917","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018627","3.7413","0.0007","7.8684","0.0009","15.4092","0.0013","90","","91.54","0.03","90","","453.45","0.11","153","2","153","2","","","","","","","","3","P 1 c 1","P -2yc","7","","5-[4-(1,2,4-Triazol-4-yl)phenyl]-1<i>H</i>-tetrazole","","- C9 H7 N7 -","- C9 H7 N7 -","- C18 H14 N14 -","2","1","FG3264","Lysenko, Andrey B.","The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure","Acta Crystallographica Section C","2012","68","10","m291","m294","10.1107/S0108270112038498","","","0.71073","MoKα","","0.0795","0.0487","","","0.0931","0.1042","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018628","7.6554","0.0005","7.8589","0.0007","9.0762","0.0008","98.926","0.002","98.066","0.003","108.354","0.002","501.47","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[diaquacadmium(II)]bis{μ~2~-5-[4-(1,2,4-triazol-4- yl)phenyl]tetrazol-1-ato-κ^2^<i>N</i>^1^:<i>N</i>^1'^}]","","- C18 H16 Cd N14 O2 -","- C18 H16 Cd N14 O2 -","- C18 H16 Cd N14 O2 -","1","0.5","FG3264","Lysenko, Andrey B.","The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure","Acta Crystallographica Section C","2012","68","10","m291","m294","10.1107/S0108270112038498","","","0.71073","MoKα","","0.0252","0.0238","","","0.0499","0.0504","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018629","11.649","0.002","12.702","0.003","17.72","0.003","90","","95.41","0.03","90","","2610.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5- nitroisophthalato)cadmium(II)]","","- C32 H19 Cd N3 O6 -","- C32 H19 Cd N3 O6 -","- C128 H76 Cd4 N12 O24 -","4","1","FG3267","Ye, Jun-Wei; Zhao, Li-Mei; Li, Wei; Ning, Gui-Ling","A new two-dimensional cadmium metal‒organic framework: poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5-nitroisophthalato)cadmium(II)]","Acta Crystallographica Section C","2012","68","11","m306","m308","10.1107/S0108270112040966","","","0.71073","MoKα","","0.0441","0.0324","","","0.0748","0.0795","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018630","7.8754","0.0006","8.1504","0.0006","10.0893","0.0007","108.637","0.003","96.327","0.003","104.562","0.003","580.98","0.08","130","2","130","2","","","","","","","","4","P 1","P 1","1","5-Ethynyl-2'-deoxycytidine","4-Amino-1-(2-deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-5- ethynylpyrimidin-2(1<i>H</i>)-one","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C22 H26 N6 O8 -","2","2","FG3269","Seela, Frank; Mei, Hui; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans","5-Ethynyl-2'-deoxycytidine: a DNA building block with a `clickable' side chain","Acta Crystallographica Section C","2012","68","10","o395","o398","10.1107/S0108270112038267","","","0.71073","MoKα","","0.029","0.0287","","","0.0793","0.0799","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018631","8.304","0.003","9.684","0.001","17.802","0.002","90","","93.89","0.01","90","","1428.3","0.6","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Carboxy-3-(pyridin-1-ium-2-yl)-6-(pyridin-2-yl)pyrazine-2-carboxylate","","- C16 H10 N4 O4 -","- C16 H10 N4 O4 -","- C64 H40 N16 O16 -","4","1","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0867","0.0613","","","0.1441","0.165","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018632","6.857","0.001","8.576","0.001","9.187","0.002","63.4","0.01","81.94","0.01","87.47","0.01","478.19","0.14","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(3,6-Dicarboxypyrazine-2,5-diyl)bis(pyridin-1-ium) dichloride dihydrate","","- C16 H16 Cl2 N4 O6 -","- C16 H16 Cl2 N4 O6 -","- C16 H16 Cl2 N4 O6 -","1","0.5","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0399","0.0338","","","0.0887","0.0927","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018633","13.067","0.001","6.138","0.001","14.453","0.001","90","","103.59","0.01","90","","1126.8","0.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,6-Bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid dimethyl sulfoxide disolvate","","- C20 H22 N4 O6 S2 -","- C20 H22 N4 O6 S2 -","- C40 H44 N8 O12 S4 -","2","0.5","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0797","0.041","","","0.0818","0.0925","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018634","8.1645","0.0002","10.0136","0.0002","23.2429","0.0005","90","","90","","90","","1900.25","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-2-((<i>S</i>)-{1-[2<i>S</i>,3a<i>S</i>,7a<i>S</i>)-2- carboxyoctahydro-1<i>H</i>-indol-1-yl]-1-oxopropan-2yl}azaniumyl)pentanoate monohydrate","","- C17 H30 N2 O6 -","- C17 H30 N2 O6 -","- C68 H120 N8 O24 -","4","1","FG3275","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan","Perindoprilat monohydrate","Acta Crystallographica Section C","2012","68","11","o443","o446","10.1107/S0108270112041583","","","1.54178","CuKα","","0.027","0.0269","","","0.0688","0.0689","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018635","7.6822","0.0008","19.039","0.002","19.1684","0.0018","90","","107.432","0.004","90","","2674.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis{μ~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine- 2,6-dicarboxamide}dichloridonickel(II)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]","","- C50 H62 Cl2 N14 Ni O8 -","- C50 H62 Cl2 N14 Ni O8 -","- C100 H124 Cl4 N28 Ni2 O16 -","2","0.5","FN3111","Guo, Yi-Ping; Li, Dong-Ying; Li, Guo-Ting","Poly[[bis{μ~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}dichloridonickel(II)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]","Acta Crystallographica Section C","2012","68","10","m284","m286","10.1107/S010827011203750X","","","0.71073","MoKα","","0.069","0.0433","","","0.0984","0.1111","","","","","","1.081","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018636","15.592","0.003","4.3936","0.0008","17.713","0.003","90","","100.746","0.003","90","","1192.1","0.4","187","2","187","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18- <i>b</i>''<i>c</i>''<i>d</i>'':23,24- <i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran","","- C40 H16 O4 -","- C40 H16 O4 -","- C80 H32 O8 -","2","0.5","FN3112","Fouad, Farid; Bunge, Scott D.; Ellman, Brett D.; Twieg, Robert J.","Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18-<i>b</i>''<i>c</i>''<i>d</i>'':23,24-<i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran","Acta Crystallographica Section C","2012","68","11","o465","o467","10.1107/S0108270112040681","","","0.71073","MoKα","","0.0738","0.0415","","","0.0883","0.1055","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018637","23.6234","0.0011","12.5467","0.0006","16.0458","0.0007","90","","128.934","0.002","90","","3699.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","dipotassium bis[hexaaquanickel(II)] tris(μ~2~-methylenediphosphonato)tripalladium(II) hexahydrate","","- C3 H42 K2 Ni2 O36 P6 Pd3 -","- C3 H35.386 K2 Ni2 O36 P6 Pd3 -","- C12 H141.544 K8 Ni8 O144 P24 Pd12 -","4","0.5","KU3068","Babaryk, Artem A.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Dudko, Anatolij V.; Pekhnyo, Vasily I.","Binary salt of a palladium(II) complex with (phosphonomethyl)phosphonic (medronic) acid comprising `handbell-like' [Pd{μ-CH~2~(PO~3~)~2~}]~3~ units","Acta Crystallographica Section C","2012","68","9","m242","m245","10.1107/S0108270112031368","","","0.71073","MoKα","","0.0243","0.0218","","","0.051","0.0521","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018638","8.845","0.001","8.845","0.001","8.845","0.001","90","","90","","90","","691.98","0.14","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Dinickel ditin zinc","","- Ni1.88 Sn2.15 Zn1.1 -","- Ni1.88425 Sn2.148 Zn1.102 -","- Ni15.074 Sn17.184 Zn8.816 -","8","0.166667","KU3074","Schmetterer, Clemens; Rajamohan, Divakar; Effenberger, Herta Silvia; Flandorfer, Hans","Ni~2~Sn~2~Zn from single-crystal X-ray diffraction","Acta Crystallographica Section C","2012","68","10","i65","i67","10.1107/S0108270112035627","","","0.71073","MoKα","","0.0175","0.0166","","","0.0407","0.041","","","","","","1.403","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018639","12.1226","0.001","14.6299","0.0012","12.258","0.001","90","","116.862","0.001","90","","1939.4","0.3","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}palladium(II)","","- C21 H17 Cl2 N3 Pd -","- C21 H17 Cl2 N3 Pd -","- C84 H68 Cl8 N12 Pd4 -","4","1","KU3079","Spencer, Lara C.; Guzei, Ilia A.; Segapelo, Tebogo V.; Darkwa, James","Dichlorido{2-[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}palladium(II)","Acta Crystallographica Section C","2012","68","11","m317","m319","10.1107/S0108270112043119","","","0.71073","Mo-Kα","","0.0188","0.018","","","0.0494","0.0501","","","","","","1.046","","","","has coordinates,has Fobs","211395","2020-10-21","18:00:00",""
"2018640","8.07","0.003","15.353","0.003","7.789","0.002","90","","96.08","0.03","90","","959.6","0.5","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-Fluoroisoquinoline-5-sulfonyl chloride","","- C9 H5 Cl F N O2 S -","- C9 H5 Cl F N O2 S -","- C36 H20 Cl4 F4 N4 O8 S4 -","4","1","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.0587","","","","0.1641","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018641","18.907","0.008","7.543","0.003","9.173","0.004","90","","101.88","0.03","90","","1280.2","0.9","292","","292","","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>S</i>)-(-)-4-Fluoro-<i>N</i>-(1-hydroxypropan-2-yl)isoquinoline-5- sulfonamide","","- C12 H13 F N2 O3 S -","- C12 H13 F N2 O3 S -","- C48 H52 F4 N8 O12 S4 -","4","2","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.054","","","","0.1587","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018642","12.379","0.008","19.294","0.014","6.835","0.004","90","","90","","90","","1632.5","1.9","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(-)-4-[(4-Fluoroisoquinolin-5-yl)sulfonyl]-3-methyl-1,4- diazepan-1-ium chloride","","- C15 H19 Cl F N3 O2 S -","- C15 H19 Cl F N3 O2 S -","- C60 H76 Cl4 F4 N12 O8 S4 -","4","1","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.0587","","","","0.1659","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018643","9.851","0.002","18.828","0.002","10.721","0.003","90","","115.26","0.02","90","","1798.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di-μ~3~-ethanolato-diethyltetrakis(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3- olato-κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)tetrazinc(II)","","- C32 H40 O14 Zn4 -","- C32 H40 O14 Zn4 -","- C64 H80 O28 Zn8 -","2","0.5","LG3088","Petrus, Rafał; Sobota, Piotr","Two tetranuclear zinc clusters, [Zn~4~(μ~3~-OEt)~2~(μ~2~-MalO)~4~Et~2~] and [Zn~4~(μ~3~-GueO)~2~(μ~2~-GueO)~2~(μ~2~-MalO)~2~(MalO)~2~]·2C~7~H~8~, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)","Acta Crystallographica Section C","2012","68","10","m275","m280","10.1107/S0108270112036773","","","0.71073","MoKα","","0.0479","0.0358","","","0.0937","0.0975","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018644","10.715","0.003","12.578","0.003","12.794","0.004","92.97","0.03","110.48","0.03","97.61","0.03","1592.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bis(μ~3~-2-ethoxyphenolato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^: <i>O</i>^1^)bis(μ~2~-2-ethoxyphenolato-κ^3^<i>O</i>^1^,<i>O</i>^2^: <i>O</i>^1^)bis(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3-olato- κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)bis(2-methyl-4-oxo-4<i>H</i>- pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)tetrazinc(II) toluene disolvate","","- C70 H72 O20 Zn4 -","- C70 H72 O20 Zn4 -","- C70 H72 O20 Zn4 -","1","0.5","LG3088","Petrus, Rafał; Sobota, Piotr","Two tetranuclear zinc clusters, [Zn~4~(μ~3~-OEt)~2~(μ~2~-MalO)~4~Et~2~] and [Zn~4~(μ~3~-GueO)~2~(μ~2~-GueO)~2~(μ~2~-MalO)~2~(MalO)~2~]·2C~7~H~8~, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)","Acta Crystallographica Section C","2012","68","10","m275","m280","10.1107/S0108270112036773","","","0.71073","MoKα","","0.0728","0.0491","","","0.1356","0.144","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018645","10.5752","0.0002","5.2925","0.0001","13.9229","0.0002","90","","109.078","0.001","90","","736.45","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[(μ~4~-benzene-1,2-dicarboxylato)zinc(II)]","","- C8 H4 O4 Zn -","- C8 H4 O4 Zn -","- C32 H16 O16 Zn4 -","4","1","LG3090","Xiong, Wei-Lu; Liu, Qing-Yan; Zhang, Na; Wang, Leng","A two-dimensional coordination polymer containing a two-dimensional zinc‒carboxylate layer constructed from helical chains: poly[(μ~4~-benzene-1,2-dicarboxylato)zinc(II)]","Acta Crystallographica Section C","2012","68","9","m235","m237","10.1107/S0108270112033045","","","0.71073","MoKα","","0.0268","0.0239","","","0.0621","0.0648","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018646","4.5696","0.0003","24.7384","0.0017","11.7638","0.0008","90","","96.94","0.001","90","","1320.09","0.15","292","","292","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(3,4-dichlorobenzoyl)-1-methylhydrazinecarbodithioate","","- C10 H10 Cl2 N2 O S2 -","- C10 H10 Cl2 N2 O S2 -","- C40 H40 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","0.71073","MoKα","","0.043","0.0337","","","0.0834","0.089","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018647","4.5467","0.0001","13.7623","0.0004","25.7328","0.0007","90","","93.117","0.001","90","","1607.8","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Butyl 2-(3,4-dichlorobenzoyl)-1-methylhydrazinecarbodithioate","","- C13 H16 Cl2 N2 O S2 -","- C13 H16 Cl2 N2 O S2 -","- C52 H64 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","0.71073","MoKα","","0.0496","0.034","","","0.0764","0.0827","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018648","13.3534","0.001","11.6813","0.0008","8.9908","0.0007","90","","99.995","0.003","90","","1381.15","0.18","290","","290","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,4-dichloro-<i>N</i>-(2-sulfanylidene-1,3-thiazinan-3-yl)benzamide","","- C11 H10 Cl2 N2 O S2 -","- C11 H10 Cl2 N2 O S2 -","- C44 H40 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","1.54178","CuKα","","0.0348","0.0339","","","0.0937","0.0948","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018649","9.7093","0.001","13.9463","0.0014","14.0767","0.0014","118.086","0.002","104.17","0.002","90.036","0.002","1615.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqua[3-(pyridin-4-yl)benzoato- κ^2^<i>O</i>,<i>O</i>']terbium(III)]-bis[μ-3-(pyridin-4-yl)benzoato- κ^2^<i>O</i>:<i>O</i>']] monohydrate]","","- C36 H30 N3 O9 Tb -","- C36 H28 N3 O9 Tb -","- C72 H56 N6 O18 Tb2 -","2","1","QS3018","Wang, Hai-Rong; Xia, Chao-Hui; Li, Guo-Ting","<i>catena</i>-Poly[[[diaqua[3-(pyridin-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']terbium(III)]-bis[μ-3-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']] monohydrate]","Acta Crystallographica Section C","2012","68","11","m303","m305","10.1107/S0108270112040310","","","0.71073","MoKα","","0.0387","0.0274","","","0.0637","0.0691","","","","","","1.016","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018650","24.151","0.005","14.088","0.003","15.651","0.003","90","","116.54","0.03","90","","4764","2","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate","","- C56 H36 Fe N6 O17 -","- C56 H36 Fe N6 O17 -","- C224 H144 Fe4 N24 O68 -","4","0.5","SF3175","Zhong, Kai-Long","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","Acta Crystallographica Section C","2012","68","9","m259","m264","10.1107/S0108270112034567","","","0.71073","MoKα","","0.0644","0.0517","","","0.1042","0.1106","","","","","","1.113","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018651","13.767","0.003","13.911","0.003","24.202","0.005","90","","102.68","0.03","90","","4521.9","1.8","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","","- C50 H38 Fe N6 O18 -","- C50 H38 Fe N6 O18 -","- C200 H152 Fe4 N24 O72 -","4","1","SF3175","Zhong, Kai-Long","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","Acta Crystallographica Section C","2012","68","9","m259","m264","10.1107/S0108270112034567","","","0.71073","MoKα","","0.1213","0.0932","","","0.1478","0.1598","","","","","","1.226","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018652","7.228","0.0001","12.4251","0.0002","18.9837","0.0003","105.388","0.001","91.348","0.001","92.604","0.001","1640.96","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Melaminium (2-carboxyethyl)(phenyl)phosphinate monohydrate","2,4,6-Triamino-1,3,5-triazin-1-ium (2-carboxyethyl)(phenyl)phosphinate monohydrate","","- C12 H19 N6 O5 P -","- C12 H19 N6 O5 P -","- C48 H76 N24 O20 P4 -","4","2","SF3176","Xue, Jun; Zhao, Cui-Cui; Du, Zi-Yi","Melaminium (2-carboxyethyl)(phenyl)phosphinate monohydrate","Acta Crystallographica Section C","2012","68","9","o355","o358","10.1107/S0108270112033392","","","0.71073","MoKα","","0.0652","0.0453","","","0.1074","0.1148","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018653","24.98","0.005","6.5472","0.0013","17.278","0.004","90","","103.96","0.03","90","","2742.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[silver(I)-μ-[9,10-bis(1<i>H</i>-benzimidazol-1- ylmethyl)anthracene]-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(nitrato-κ<i>O</i>)silver(I)]","","- C30 H22 Ag2 N6 O6 -","- C30 H22 Ag2 N6 O6 -","- C120 H88 Ag8 N24 O24 -","4","0.5","SF3177","Du, Jian-Long; Zhu, Xiao-Long; Li, Pei","<i>catena</i>-Poly[[silver(I)-μ-[9,10-bis(1<i>H</i>-benzimidazol-1-ylmethyl)anthracene]-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(nitrato-κ<i>O</i>)silver(I)]","Acta Crystallographica Section C","2012","68","10","m281","m283","10.1107/S0108270112035846","","","0.71073","MoKα","","0.1018","0.0605","","","0.0927","0.103","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018654","10.6645","0.0007","10.3818","0.0007","32.164","0.002","90","","90","","90","","3561.1","0.4","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","benzoyl(hydroxyimino)acetonitrile‒18-crown-6 (1,4,7,10,13,16-hexaoxacyclooctadecane)‒water (2/1/4)","","- C30 H44 N4 O14 -","- C30 H44 N4 O14 -","- C120 H176 N16 O56 -","4","0.5","SF3178","Ponomarova, Vira V.; Domasevitch, Konstantin V.","A three-component cocrystal: benzoyl(hydroxyimino)acetonitrile‒18-crown-6‒water (2/1/4)","Acta Crystallographica Section C","2012","68","9","o359","o361","10.1107/S0108270112034208","","","0.71073","MoKα","","0.0691","0.0451","","","0.0773","0.0842","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018655","14.6307","0.0011","8.5718","0.0007","28.083","0.002","90","","90","","90","","3521.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4<i>H</i>-1,2,4-Triazolo[3,4-<i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C144 H112 N48 O16 S16 -","16","2","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0312","0.0295","","","0.0817","0.0831","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018656","11.6248","0.0018","14.92","0.002","8.5909","0.0013","90","","102.564","0.003","90","","1454.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Oxo-2-phenylethyl)-4<i>H</i>-1,2,4-triazolo[3,4- <i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one","","- C17 H13 N3 O2 S -","- C17 H13 N3 O2 S -","- C68 H52 N12 O8 S4 -","4","1","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0549","0.0455","","","0.1048","0.1104","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018657","13.6533","0.0014","12.7279","0.0013","22.2927","0.0019","90","","100.601","0.003","90","","3807.9","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 3-oxo-2-(1-oxo-1<i>H</i>,4<i>H</i>-1,2,4-triazolo[3,4- <i>c</i>][1,4]benzothiazin-2-yl)-3-phenylpropanoate","","- C20 H17 N3 O4 S -","- C20 H17 N3 O4 S -","- C160 H136 N24 O32 S8 -","8","1","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0722","0.0636","","","0.1593","0.1656","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018658","7.411","0.0006","16.2739","0.0018","17.201","0.002","90","","90","","90","","2074.5","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene- 1,3-thiazolidin-4-one monohydrate","","- C8 H9 N3 O2 S2 -","- C8 H9 N3 O2 S2 -","- C64 H72 N24 O16 S16 -","8","1","SF3183","Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2012","68","11","o468","o471","10.1107/S0108270112043260","","","0.71073","MoKα","","0.1104","0.0555","","","0.1342","0.1636","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018659","9.90009","0.00011","9.94558","0.00011","15.0359","0.0002","90","","102.49","0.0008","90","","1445.43","0.03","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Methylenedipyridinium tetrachloridocuprate(II)","","- C11 H12 Cl4 Cu N2 -","- C11 H12 Cl4 Cu N2 -","- C44 H48 Cl16 Cu4 N8 -","4","0.5","SK3441","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction","Acta Crystallographica Section C","2012","68","9","m246","m250","10.1107/S0108270112031885","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.87","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018660","15.61545","0.00011","17.6525","0.0003","7.563","0.00006","90","","90","","90","","2084.75","0.04","298","","298","","","","","","","","","5","I m a 2","I 2 -2a","46","","1,1'-methylenedipyridinium bis[tetrachloridoaurate(III)]","","- C11 H12 Au2 Cl8 N2 -","- C11 H12 Au2 Cl8 N2 -","- C44 H48 Au8 Cl32 N8 -","4","0.5","SK3441","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction","Acta Crystallographica Section C","2012","68","9","m246","m250","10.1107/S0108270112031885","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.6","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018661","8.5395","0.0017","13.543","0.003","14.743","0.004","90","","95.358","0.003","90","","1697.6","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.0443","0.0373","","","0.0717","0.0753","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018662","8.5966","0.0014","13.655","0.002","14.966","0.003","90","","95.533","0.004","90","","1748.6","0.5","250","2","250","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)]","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.0662","0.0469","","","0.0929","0.1025","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018663","8.731","0.003","13.824","0.005","15.314","0.006","90","","94.866","0.009","90","","1841.7","1.2","400","2","400","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)]","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.125","0.0753","","","0.1765","0.2065","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018664","19.4565","0.0006","7.001","0.0002","31.1252","0.0009","90","","120.322","0.002","90","","3659.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[tetraaqua(4,4'-bipyridine- κ<i>N</i>)dimanaganese(II)] bis(4-aminobenzoate) bis(perchlorate)‒4,4'-bipyridine‒water (1/2/4)","","- C64 H76 Cl2 Mn2 N12 O24 -","- C64 H76 Cl2 Mn2 N12 O24 -","- C128 H152 Cl4 Mn4 N24 O48 -","2","0.5","SK3444","Wang, Jun; Gao, Junlin; Zhao, Wenhua","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[tetraaqua(4,4'-bipyridine-κ<i>N</i>)dimanganese(II)] bis(4-aminobenzoate) bis(perchlorate)‒4,4'-bipyridine‒water (1/2/4): a supramolecular system constructed by π‒π and hydrogen-bond interactions","Acta Crystallographica Section C","2012","68","9","m255","m258","10.1107/S0108270112033616","","","0.71073","MoKα","","0.1197","0.053","","","0.1058","0.1371","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018665","10.432","0.003","11.237","0.003","11.885","0.003","80.084","0.002","88.989","0.002","88.943","0.002","1372","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane","","- C24 H47 P Si2 -","- C24 H47 P Si2 -","- C48 H94 P2 Si4 -","2","1","SK3445","Boeré, René T.; Taghavikish, Mona","Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane: the first structure of an organophosphane with two <i>tert</i>-butyldimethylsilyl (TBDMS) substituents","Acta Crystallographica Section C","2012","68","10","o381","o382","10.1107/S0108270112035949","","","0.71073","MoKα","","0.0352","0.0307","","","0.0852","0.0888","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018666","9.7274","0.0019","13.259","0.003","19.982","0.004","90","","90","","90","","2577.2","0.9","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","4,6-Diaminopyrimidine-2(1<i>H</i>)-thione hemihydrate","","- C4 H7 N4 O0.5 S -","- C4 H7 N4 O0.5 S -","- C64 H112 N64 O8 S16 -","16","","SK3446","Zhang, Zhenfeng; Xian, Dong; Glidewell, Christopher","4,6-Diaminopyrimidine-2(1<i>H</i>)-thione hemihydrate: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2012","68","10","o377","o380","10.1107/S0108270112036359","","","0.71073","MoKα","","0.088","0.0458","","","0.0915","0.105","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018667","6.0731","0.0015","14.921","0.004","16.285","0.004","90","","95.686","0.004","90","","1468.4","0.6","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Isoquinolin-5-amine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","SK3448","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Isoquinolin-5-amine","Acta Crystallographica Section C","2012","68","10","o392","o394","10.1107/S0108270112037602","","","0.71073","MoKα","","0.0453","0.0379","","","0.0852","0.0895","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018668","4.8992","0.0002","8.4434","0.0005","13.6616","0.0009","107.148","0.002","91.569","0.002","96.376","0.002","535.59","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(Diiodoarsanyl)benzoic acid","","- C7 H5 As I2 O2 -","- C7 H5 As I2 O2 -","- C14 H10 As2 I4 O4 -","2","1","SK3449","Ilyin, Igor Yu.; Pushkarevsky, Nikolay A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","<i>X</i>-(Diiodoarsanyl)benzoic acid (<i>X</i> = 3 and 4)","Acta Crystallographica Section C","2012","68","11","m323","m325","10.1107/S0108270112040000","","","0.71073","MoKα","","0.0439","0.0377","","","0.1046","0.1091","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018669","7.6751","0.0005","18.6142","0.0012","22.0692","0.0012","90","","90.206","0.002","90","","3152.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Diiodoarsanyl)benzoic acid","","- C7 H5 As I2 O2 -","- C7 H5 As I2 O2 -","- C84 H60 As12 I24 O24 -","12","3","SK3449","Ilyin, Igor Yu.; Pushkarevsky, Nikolay A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","<i>X</i>-(Diiodoarsanyl)benzoic acid (<i>X</i> = 3 and 4)","Acta Crystallographica Section C","2012","68","11","m323","m325","10.1107/S0108270112040000","","","0.71073","MoKα","","0.0264","0.021","","","0.045","0.0463","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018670","13.948","0.003","14.279","0.003","16.3474","0.0016","70.147","0.012","86.297","0.013","62.265","0.016","2693.3","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Methyl (3a<i>RS</i>,3c<i>RS</i>,6c<i>SR</i>,7<i>RS</i>,8<i>RS</i>,8a<i>SR</i>)- 2,5-bis(4-chlorophenyl)-7,9-bis(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-1,3,4,6- tetraoxododecahydro-1<i>H</i>-dipyrrolo[3,4-<i>a</i>:3',4'- <i>f</i>]pyrrolizine-3b-carboxylate dimethylformamide disolvate","","- C61 H53 Cl2 N9 O8 -","- C61 H53 Cl2 N9 O8 -","- C122 H106 Cl4 N18 O16 -","2","1","SK3451","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Methyl (3a<i>RS</i>,3c<i>RS</i>,6c<i>SR</i>,7<i>RS</i>,8<i>RS</i>,8a<i>SR</i>)-2,5-bis(4-chlorophenyl)-7,9-bis(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-1,3,4,6-tetraoxododecahydro-1<i>H</i>-dipyrrolo[3,4-<i>a</i>:3',4'-<i>f</i>]pyrrolizine-3b-carboxylate dimethylformamide disolvate: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2012","68","11","o439","o442","10.1107/S0108270112039856","","","0.71073","MoKα","","0.0808","0.0446","","","0.1044","0.1247","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018671","8.0275","0.0001","9.9401","0.0001","16.8444","0.0001","96.607","0.001","95.134","0.001","96.394","0.001","1319.71","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-bis(ethanol-κ<i>O</i>)tetrakis(1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II) bis[μ-<i>N</i>-(2-oxidobenzylidene)-D,L-glutamato]- κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2'^:<i>O</i>^2'^;\ κ^4^<i>O</i>^2'^:<i>O</i>^1^,<i>N</i>,<i>O</i>^2'^-bis[(1<i>H</i>-imidazole- κ<i>N</i>^3^)cuprate(II)]","","- C46 H56 Cu3 N14 O12 -","- C46 H56 Cu3 N14 O12 -","- C46 H56 Cu3 N14 O12 -","1","0.5","SK3453","Langer, Vratislav; Mach, Pavol; Gyepesová, Dalma; Andrezálová, Lucia; Kohútová, Mária","X-ray and DFT studies of a mono- and binuclear copper(II) ionic compound containing a Schiff base","Acta Crystallographica Section C","2012","68","11","m326","m328","10.1107/S010827011204276X","","","0.71073","MoKα","","0.0367","0.0316","","","0.0834","0.0871","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018672","9.0547","0.0007","8.2304","0.0005","9.3016","0.0007","90","","92.76","0.002","90","","692.39","0.09","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-1-phenylethanaminium (<i>R</i>)-thiomalate","(<i>S</i>)-1-phenylethanaminium (<i>R</i>)-3-carboxy-2-sulfanylpropanoate","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C24 H34 N2 O8 S2 -","2","1","UK3047","Igawa, Kosuke; Yoshinari, Nobuto; Konno, Takumi","An optically resolved crystal of thiomalate: (<i>S</i>)-1-phenylethanaminium (<i>R</i>)-thiomalate","Acta Crystallographica Section C","2012","68","9","o332","o334","10.1107/S0108270112032933","","","0.71075","MoKα","","0.051","0.0414","","","0.0942","0.1066","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018673","13.808","0.006","13.808","0.006","9.219","0.004","90","","90","","90","","1757.7","1.3","150","2","150","2","","","","","","","","4","P 42/n :2","-P 4bc","86","ninhydrin dihydrazone","(1<i>Z</i>,3<i>Z</i>)-1,3-dihydrazinylidene-1<i>H</i>-inden-2(3<i>H</i>)-one","","- C9 H8 N4 O -","- C9 H8 N4 O -","- C72 H64 N32 O8 -","8","1","UK3049","Blake, Alexander J.; Chebude, Yonas; Tadesse, Haregewine; Wondimu, Berhanu","1,3-Ninhydrin dihydrazone featuring an <i>R</i>~4~^4^(12) motif with f̱ øverline{4} symmetry and comprising only N and H atoms","Acta Crystallographica Section C","2012","68","9","o362","o364","10.1107/S0108270112034749","","","0.71073","MoKα","","0.0706","0.0388","","","0.088","0.098","","","","","","0.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018674","14.7103","0.0002","11.7174","0.0001","19.7281","0.0003","90","","109.145","0.002","90","","3212.39","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzamidinidium 2,6-dimethoxybenzoate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","2","UK3051","Irrera, Simona; Ortaggi, Giancarlo; Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine","Acta Crystallographica Section C","2012","68","11","o447","o451","10.1107/S010827011204067X","","","0.71069","MoKα","","0.0714","0.0583","","","0.1218","0.1286","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018675","9.8921","0.0001","10.4471","0.0001","15.1403","0.0002","90","","90","","90","","1564.66","0.03","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzamidinidium 2,6-dimethoxybenzoate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","UK3051","Irrera, Simona; Ortaggi, Giancarlo; Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine","Acta Crystallographica Section C","2012","68","11","o447","o451","10.1107/S010827011204067X","","","0.71069","MoKα","","0.0665","0.0579","","","0.1521","0.156","","","","","","1.188","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018676","22.0249","0.0007","12.5626","0.0005","5.0512","0.0001","90","","90","","90","","1397.62","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Cyano-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0592","0.0365","","","0.0805","0.089","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018677","22.1833","0.0014","12.8024","0.0008","5.0114","0.0003","90","","90","","90","","1423.23","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide","","- C14 H12 F3 N O3 S -","- C14 H12 F3 N O3 S -","- C56 H48 F12 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0877","0.0551","","","0.1097","0.1227","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018678","21.6853","0.0008","12.657","0.0005","5.0586","0.0003","90","","90","","90","","1388.44","0.11","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Iodo-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 I N O3 S -","- C13 H12 I N O3 S -","- C52 H48 I4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0385","0.0311","","","0.0701","0.0745","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018679","21.621","0.0007","12.372","0.0003","5.0526","0.0001","90","","90","","90","","1351.55","0.06","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 Br N O3 S -","- C13 H12 Br N O3 S -","- C52 H48 Br4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0333","0.0263","","","0.0551","0.0572","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018680","21.258","0.0015","12.3967","0.0005","5.0526","0.0003","90","","90","","90","","1331.51","0.13","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Chloro-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 Cl N O3 S -","- C13 H12 Cl N O3 S -","- C52 H48 Cl4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.063","0.0441","","","0.0914","0.0998","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018681","20.7242","0.0004","12.3551","0.0004","5.0209","0.0001","90","","90","","90","","1285.6","0.05","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Fluoro-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 F N O3 S -","- C13 H12 F N O3 S -","- C52 H48 F4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0287","0.0274","","","0.0746","0.0756","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018682","21.3923","0.0007","12.3691","0.0004","5.0386","0.0002","90","","90","","90","","1333.23","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Chlorophenyl)-4-methoxybenzenesulfonamide","","- C13 H12 Cl N O3 S -","- C13 H12 Cl N O3 S -","- C52 H48 Cl4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0355","0.0321","","","0.0718","0.0739","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018683","20.1912","0.0007","12.0001","0.0004","5.1055","0.0001","90","","90","","90","","1237.04","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Cyano-<i>N</i>-phenylbenzenesulfonamide","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0297","0.0276","","","0.0659","0.0671","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018684","7.208","0.0001","12.7611","0.0003","16.3676","0.0004","90","","90","","90","","1505.52","0.06","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Oxycodone <i>N</i>-oxide","(5<i>R</i>,9<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-14-hydroxy- 3-methoxy-17-methyl-4,5-epoxymorphinan-6-one <i>N</i>-oxide","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","UK3053","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","Oxycodone <i>N</i>-oxide","Acta Crystallographica Section C","2012","68","11","o436","o438","10.1107/S0108270112040188","","","0.71073","MoKα","","0.0426","0.0338","","","0.0772","0.0806","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018685","12.2292","0.0007","11.835","0.0006","16.9729","0.0008","90","","95.293","0.005","90","","2446.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[bis(pyridin-2-ylmethyl)(quinolin-2-ylmethyl)amine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']bis(thiocyanato- κ<i>S</i>)iron(II)","","- C24 H20 Fe N6 S2 -","- C24 H20 Fe N6 S2 -","- C96 H80 Fe4 N24 S8 -","4","1","WQ3016","Yu, Fan","Magnetic properties of a mononuclear iron(II) complex with a typical FeN~6~ coordination octahedron","Acta Crystallographica Section C","2012","68","10","m287","m290","10.1107/S010827011203209X","","","0.71073","MoKα","","0.0892","0.0439","","","0.0825","0.0889","","","","","","0.811","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018686","7.286","0.0015","11.246","0.002","11.462","0.002","72.21","0.03","73.57","0.03","83.5","0.03","857.4","0.3","223.15","","223.15","","","","","","","","","6","P 1","P 1","1","","<i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>']]","","- C20 H38 Co3 N4 O23 S3 -","- C20 H38 Co3 N4 O23 S3 -","- C20 H38 Co3 N4 O23 S3 -","1","1","WQ3017","Zhong, Kai-Long; Qian, Ming-Yi","A novel one-dimensional Co^II^ coordination polymer: <i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section C","2012","68","9","m265","m268","10.1107/S0108270112034385","","","0.71073","MoKα","","0.0462","0.0261","","","0.0557","0.0798","","","","","","1.239","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018687","9.6423","0.0002","8.3406","0.0001","13.1461","0.0002","90","","121.218","0.001","90","","904.16","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>H</i>-Chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","WQ3019","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular sheets in (4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its hydrated 8-methyl-substituted analogue at 100K","Acta Crystallographica Section C","2012","68","11","o481","o484","10.1107/S0108270112043545","","","0.71073","MoKα","","0.0611","0.0452","","","0.1111","0.1198","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018688","31.2492","0.0005","4.6714","0.0001","17.3083","0.0004","90","","121.03","0.002","90","","2165.06","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(8-Methyl-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol monohydrate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C96 H104 N8 O32 -","8","1","WQ3019","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular sheets in (4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its hydrated 8-methyl-substituted analogue at 100K","Acta Crystallographica Section C","2012","68","11","o481","o484","10.1107/S0108270112043545","","","0.71073","MoKα","","0.0691","0.0505","","","0.1228","0.1334","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018689","4.771","0.0001","14.5605","0.0003","11.407","0.0002","90","","91.974","0.001","90","","791.95","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethyl-6-methylpyridin-3-ol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","YF3016","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Kipnis, Alexander M.; Trukhachova, Tatjana V.","2-Ethyl-6-methylpyridin-3-ol and its salt bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","Acta Crystallographica Section C","2012","68","9","o365","o368","10.1107/S0108270112035901","","","0.71073","MoKα","","0.0627","0.0446","","","0.1331","0.1494","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018690","8.8445","0.0001","13.4026","0.0002","8.4848","0.0001","90","","95.347","0.001","90","","1001.41","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","0.5","YF3016","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Kipnis, Alexander M.; Trukhachova, Tatjana V.","2-Ethyl-6-methylpyridin-3-ol and its salt bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","Acta Crystallographica Section C","2012","68","9","o365","o368","10.1107/S0108270112035901","","","0.71073","MoKα","","0.0503","0.0451","","","0.1289","0.1355","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018691","7.4201","0.0006","24.1098","0.0014","7.8614","0.0006","90","","117.566","0.006","90","","1246.73","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(4-chlorobenzylidene)-4-hydroxybenzohydrazide","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0733","0.0454","","","0.0947","0.1035","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018692","7.6046","0.0007","24.225","0.0018","7.923","0.0007","90","","118.673","0.009","90","","1280.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(4-Bromobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C56 H44 Br4 N8 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0653","0.0344","","","0.0712","0.0783","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018693","14.8338","0.001","12.4571","0.0011","9.2935","0.0006","90","","98.687","0.005","90","","1697.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[4-(Diethylamino)benzylidene]-4-hydroxybenzohydrazide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0896","0.052","","","0.0909","0.1006","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018694","11.3003","0.0003","13.2721","0.0003","17.2019","0.0004","90","","95.398","0.002","90","","2568.48","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine‒diazabicyclo[2.2.2]octane‒water (1/1/1)","Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate‒ diazabicyclo[2.2.2]octane‒water (1/1/1)","","- C24 H33 Cl2 N3 O5 -","- C24 H33 Cl2 N3 O5 -","- C96 H132 Cl8 N12 O20 -","4","1","YF3020","Solanko, Katarzyna A.; Surov, Artem O.; Perlovich, German L.; Bauer-Brandl, Annette; Bond, Andrew D.","Felodipine‒diazabicyclo[2.2.2]octane‒water (1/1/1)","Acta Crystallographica Section C","2012","68","11","o456","o458","10.1107/S0108270112043405","","","0.71073","MoKα","","0.0727","0.0528","","","0.1192","0.1273","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018695","7.867","0.0016","12.049","0.002","12.481","0.003","80.85","0.03","82.17","0.03","78.84","0.03","1139.1","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl8 Nb2 O2 Te8 -","- Cl8 Nb2 O2 Te8 -","- Cl16 Nb4 O4 Te16 -","2","1","YP3015","Feldmann, Claus; Freudenmann, Dominic","[Te~8~][NbOCl~4~]~2~ containing an infinite chain-like {[Te‒Te‒Te‒(Te~5~)]^2+^}~<i>n~</i> polycation","Acta Crystallographica Section C","2012","68","10","i68","i70","10.1107/S0108270112038176","","","0.71073","MoKα","","0.0854","0.0472","","","0.1072","0.1149","","","","","","0.908","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018696","5.1253","0.0004","19.4363","0.0014","8.4953","0.0006","90","","93.251","0.003","90","","844.91","0.11","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","YP3017","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","The effect of hydrogen bonding on the conformations of 2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide and 2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","Acta Crystallographica Section C","2012","68","10","o405","o407","10.1107/S0108270112038322","","","1.54178","CuKα","","0.0585","0.0575","","","0.1576","0.1581","","","","","","1.235","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018697","10.1813","0.0002","6.0048","0.0001","18.0625","0.0004","90","","97.7222","0.0008","90","","1094.27","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","YP3017","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","The effect of hydrogen bonding on the conformations of 2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide and 2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","Acta Crystallographica Section C","2012","68","10","o405","o407","10.1107/S0108270112038322","","","0.71073","MoKα","","0.0523","0.0401","","","0.1038","0.1119","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018698","5.581","0.0002","9.202","0.0002","13.561","0.0002","90","","90","","90","","696.44","0.03","293","2","293","2","","","","","","","","4","P m n b","-P 2bc 2a","62","Barium strontium phosphate","Barium strontium diphosphate","","- Ba1.01 O7 P2 Sr0.99 -","- Ba1.0133 O7 P2 Sr0.9867 -","- Ba4.0532 O28 P8 Sr3.9468 -","4","0.5","BI3047","Edhokkar, Fadhila; Hadrich, Ahmed; Graia, Mohsen; Mhiri, Tahar","Ba~1.01~Sr~0.99~P~2~O~7~: un nouveau site Ba^2+^ révélé par diffraction des rayons X","Acta Crystallographica Section C","2012","68","12","i86","i88","10.1107/S0108270112047002","","","0.71073","MoKα","","0.0185","0.017","","","0.0396","0.04","","","","","","1.143","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018699","13.1578","0.0006","4.6755","0.0002","23.4908","0.0011","90","","95.112","0.002","90","","1439.39","0.11","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 4-O-β-<i>D</i>-mannopyranosyl β-<i>D</i>-xylopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C48 H88 O40 -","4","2","CU3015","Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.","Methyl 4-O-β-<small>D</small>-mannopyranosyl β-<small>D</small>-xylopyranoside","Acta Crystallographica Section C","2012","68","12","o502","o506","10.1107/S0108270112046689","","","1.54178","CuKα","","0.0325","0.0309","","","0.0779","0.0792","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018700","40.058","0.004","5.9102","0.0005","24.142","0.002","90","","111.723","0.001","90","","5309.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[aquapyridinecadmium(II)]μ~3~-{4,4'-[(2,4,6-trimethyl- 1,3-phenylene)bis(methylene)]dibenzoato}]","","- C30 H29 Cd N O5 -","- C30 H29 Cd N O5 -","- C240 H232 Cd8 N8 O40 -","8","1","EM3052","Zhang, Xiaolai; Ying, Weiyong","Biphase synthesis of a one-dimensional coordination polymer based on a dinuclear Cd^II^ secondary building unit and a novel semi-rigid dicarboxylate","Acta Crystallographica Section C","2012","68","12","m333","m335","10.1107/S0108270112044587","","","0.71073","MoKα","","0.0535","0.0313","","","0.0637","0.0711","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018701","6.8625","0.0003","10.0319","0.0004","14.1026","0.0006","90","","90","","90","","970.88","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Potassium 1-thio-β-D-glucoside monohydrade","Poly[(μ~2~-aqua)(μ~4~-1-sulfido-β-D-glucoside)potassium]","","- C6 H13 K O6 S -","- C6 H13 K O6 S -","- C24 H52 K4 O24 S4 -","4","1","EM3054","Yoshinari, Nobuto; Kitani, Naoki; Konno, Takumi","The first crystal structure of an alkaline metal salt of thioglucose: potassium 1-thio-β-<small>D</small>-glucoside monohydrate","Acta Crystallographica Section C","2012","68","12","m363","m366","10.1107/S0108270112047014","","","0.71075","MoKα","","0.0382","0.0378","","","0.0775","0.0779","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018702","12.1015","0.0001","35.8825","0.0004","36.2749","0.0004","86.139","0.001","89.814","0.001","88.461","0.001","15710.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>cyclo</i>-Decakis(μ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]","","- C70 H130 O15 V5 -","- C70 H130 O15 V5 -","- C560 H1040 O120 V40 -","8","4","FG3279","Stinghen, Danilo; Ferreira, Janaina G.; Nunes, Giovana G.; Soares, Jaísa F.","A new ring-like arrangement of vanadyl(IV) groups bridged by monodentate alkoxides: <i>cyclo</i>-decakis(μ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]","Acta Crystallographica Section C","2012","68","12","m353","m355","10.1107/S0108270112045702","","","1.54184","CuKα","","0.0479","0.0441","","","","0.1166","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018703","7.2339","0.0002","21.7998","0.0008","13.0306","0.0004","90","","94.903","0.003","90","","2047.37","0.11","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(5-chloro-8-hydroxyquinolinium) tetrachloridopalladate(II)","","- C18 H14 Cl6 N2 O2 Pd -","- C18 H14 Cl6 N2 O2 Pd -","- C72 H56 Cl24 N8 O8 Pd4 -","4","1","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0418","0.029","","","0.0497","0.0538","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018704","7.7896","0.0007","13.207","0.0011","7.141","0.0006","90","","91.359","0.007","90","","734.44","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[dimethylammonium [[dichloridopalladate(II)]-μ-chlorido]]","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0389","0.0272","","","0.059","0.0643","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018705","15.8369","0.0005","6.8335","0.0003","8.7459","0.0004","90","","96.087","0.003","90","","941.16","0.07","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethylenediammonium bis(5-chloroquinolin-8-olate)","","- C20 H20 Cl2 N4 O2 -","- C20 H20 Cl2 N4 O2 -","- C40 H40 Cl4 N8 O4 -","2","0.5","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.048","0.0366","","","0.0867","0.0934","","","","","","1.035","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2018706","7.398","0.0004","7.6612","0.0005","8.4536","0.0004","72.4","0.005","76.797","0.005","84.615","0.005","444.47","0.05","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-8-hydroxyquinolinium chloride","","- C9 H7 Cl2 N O -","- C9 H7 Cl2 N O -","- C18 H14 Cl4 N2 O2 -","2","1","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0406","0.0288","","","0.0674","0.0734","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018707","6.3609","0.001","7.975","0.0013","9.322","0.0015","105.278","0.014","108.055","0.014","101.993","0.014","411.55","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","Iron Phosphate","Heptairon pentaphosphate hydrogen phosphate","","- Fe6.67 H0.65 O24 P6 -","- Fe6.6738 O24 P6 -","- Fe6.6738 O24 P6 -","1","0.5","FN3113","Dal Bo, Fabrice; Hatert, Frédéric","Fe~6.67~(PO~4~)~5.35~(HPO~4~)~0.65~ and Fe~6.23~(PO~4~)~4.45~(HPO~4~)~1.55~: two new mixed-valence iron phosphates","Acta Crystallographica Section C","2012","68","12","i83","i85","10.1107/S0108270112043016","","","0.7107","MoKα","","0.0306","0.0239","","","0.055","0.0571","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018708","6.3445","0.0002","7.9353","0.0003","9.2829","0.0003","105.303","0.003","108.176","0.003","101.7","0.003","407.03","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","Iron Phosphate","Heptairon tetraphosphate bis(hydrogen phosphate)","","- Fe6.23 H1.55 O24 P6 -","- Fe6.228 O24 P6 -","- Fe6.228 O24 P6 -","1","0.5","FN3113","Dal Bo, Fabrice; Hatert, Frédéric","Fe~6.67~(PO~4~)~5.35~(HPO~4~)~0.65~ and Fe~6.23~(PO~4~)~4.45~(HPO~4~)~1.55~: two new mixed-valence iron phosphates","Acta Crystallographica Section C","2012","68","12","i83","i85","10.1107/S0108270112043016","","","0.7107","MoKα","","0.0309","0.0267","","","0.0831","0.0854","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018709","7.02","0.003","11.043","0.004","7.803","0.003","90","","92.82","0.04","90","","604.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium trihydrogen hypodiphosphate","","- H3 K O6 P2 -","- H3 K O6 P2 -","- H12 K4 O24 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0265","0.0223","","","0.0557","0.057","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018710","10.021","0.003","7.645","0.002","10.229","0.003","90","","92.18","0.04","90","","783.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dipotassium dihydrogen hypodiphosphate monohydrate","","- H4 K2 O7 P2 -","- H4 K2 O7 P2 -","- H16 K8 O28 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0224","0.0198","","","0.0503","0.051","","","","","","1.163","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018711","14.279","0.004","8.955","0.003","6.665","0.002","90","","98.33","0.04","90","","843.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dipotassium dihydrogen hypodiphosphate dihydrate","","- H6 K2 O8 P2 -","- H6 K2 O8 P2 -","- H24 K8 O32 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0195","0.0181","","","0.0496","0.0501","","","","","","1.128","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018712","10.208","0.003","6.875","0.002","11.769","0.003","90","","102.2","0.04","90","","807.3","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Pentapotassium hydrogen hypodiphosphate dihydrogen hypodiphosphate dihydrate","","- H7 K5 O14 P4 -","- H6.748 K5 O14 P4 -","- H13.496 K10 O28 P8 -","2","0.5","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.045","0.0239","","","0.0454","0.0466","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018713","9.743","0.003","15.725","0.006","14.418","0.006","90","","92.82","0.04","90","","2206.3","1.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tripotassium hydrogen hypodiphosphate tetrahydrate","","- H9 K3 O10 P2 -","- H8.717 K3 O10 P2 -","- H69.736 K24 O80 P16 -","8","2","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0791","0.0296","","","0.0436","0.0458","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018714","8.097","0.003","12.281","0.003","11.684","0.003","90","","92.08","0.04","90","","1161.1","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetrapotassium hypodiphosphate tetrahydrate","","- H8 K4 O10 P2 -","- H8 K4 O10 P2 -","- H32 K16 O40 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0274","0.0237","","","0.0441","0.0448","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018715","19.8574","0.0018","4.9195","0.0005","19.6197","0.0018","90","","106.089","0.002","90","","1841.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thio urea","1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea","","- C21 H18 N2 O S2 -","- C21 H18 N2 O S2 -","- C84 H72 N8 O4 S8 -","4","1","FN3118","Bhattacharjee, Tirtha; Gogoi, Prasanta; Puranik, Vedavati G.; Gawade, Rupesh L.; Barman, Pranjit","1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea","Acta Crystallographica Section C","2012","68","12","o485","o487","10.1107/S0108270112045167","","","0.71073","MoKα","","0.086","0.0638","","","0.1284","0.1376","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018716","7.8106","0.0016","16.929","0.003","17.144","0.005","90","","105.48","0.03","90","","2184.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[nickel(II)-μ~2~-[1,3-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^]-μ~2~-(5-carboxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)] 0.41-hydrate]","","- C23 H18.82 N4 Ni O6.41 -","- C23 H18.83 N4 Ni O6.415 -","- C92 H75.32 N16 Ni4 O25.66 -","4","1","FN3119","Wang, Xiao-Dan; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","<i>catena</i>-Poly[[nickel(II)-μ~2~-[1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]-μ~2~-(5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)] 0.41-hydrate]","Acta Crystallographica Section C","2012","68","12","m336","m339","10.1107/S0108270112044393","","","0.71073","MoKα","","0.0471","0.0362","","","0.0832","0.0877","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018717","11.716","0.003","7.1266","0.0014","13.288","0.002","90","","97.423","0.017","90","","1100.2","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>cis</i>-dibromido[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>']platinum(II)}","","- C6 H14 Br2 N2 Pt -","- C6 H14 Br2 N2 Pt -","- C24 H56 Br8 N8 Pt4 -","4","2","LN3152","Pažout, Richard; Maixner, Jaroslav; Holakovská, Jitka; Dušek, Michal; Kačer, Petr","A new platinum‒bromine cyclohexanediamine complex from the family of cancer cytostatics","Acta Crystallographica Section C","2012","68","12","m340","m343","10.1107/S0108270112044770","","","1.54184","CuKα","","0.036","0.0335","","","0.0399","0.0403","","","","","","2.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018718","13.574","0.0007","7.1809","0.0004","42.833","0.002","90","","99.274","0.004","90","","4120.5","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","<i>m</i>-quinquephenyl","1,1':3',1'':3'',1''':3''',1''''-quinquephenyl","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","2","LN3153","Gomes, Ligia R.; Howie, R. Alan; Low, John Nicolson; Rodrigues, Ana S. M. C.; Santos, Luís M. N. B. F.","A low-temperature polymorph of <i>m</i>-quinquephenyl","Acta Crystallographica Section C","2012","68","12","o492","o497","10.1107/S0108270112046392","","","0.71073","MoKα","","0.0746","0.049","","","0.129","0.1546","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018719","13.1441","0.0003","16.2686","0.0002","14.0631","0.0003","90","","115.506","0.003","90","","2714.12","0.11","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","carbonyl(3-oxopenta-1,4-diene-1,5,-diyl)[tris(3,5-dimethyl-1<i>H</i>- pyrazol-1-yl-κ<i>N</i>^2^)methane]iridium(III) trifluoromethanesulfonate","","- C23 H26 F3 Ir N6 O5 S -","- C23 H26 F3 Ir N6 O5 S -","- C92 H104 F12 Ir4 N24 O20 S4 -","4","1","OV3018","Hernández-Juárez, Martín; Salazar-Pereda, Veronica; Padilla-Martínez, Itzia I.; García-Báez, Efrén V.","Carbonyl‒carbonyl and carbonyl‒π interactions as directing motifs in the supramolecular structure of carbonyl(3-oxopenta-1,4-diene-1,5-diyl)[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]iridium(III) trifluoromethanesulfonate","Acta Crystallographica Section C","2012","68","12","m367","m369","10.1107/S010827011204499X","","","1.5418","CuKα","","0.0515","0.0383","","","0.0923","0.1018","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018720","12.4439","0.0011","13.2598","0.0013","13.5937","0.0013","67.228","0.003","81.859","0.003","88.578","0.003","2046.2","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","bis{μ-2-[bis(pyridin-2-ylmethyl)amino]acetato}bis[diaquamanganese(II)] bis(trifluoromethandsulfonate) monohydrate,","","- C30 H38 F6 Mn2 N6 O15 S2 -","- C30 H38 F6 Mn2 N6 O15 S2 -","- C60 H76 F12 Mn4 N12 O30 S4 -","2","1","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0505","0.0357","","","0.0921","0.099","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018721","7.9179","0.0005","21.7212","0.0016","12.2638","0.001","90","","104.599","0.003","90","","2041.1","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis{μ-3-[bis(pyridin-2-ylmethyl)amino]propionato}bis[aquamanganese(II)] bis(trifluoromethandsulfonate) dihydrate","","- C32 H40 F6 Mn2 N6 O14 S2 -","- C32 H40 F6 Mn2 N6 O14 S2 -","- C64 H80 F12 Mn4 N12 O28 S4 -","2","0.5","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0688","0.0343","","","0.0676","0.0745","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018722","9.8698","0.0005","10.6007","0.0006","13.9273","0.0008","94.978","0.003","110.547","0.002","104.276","0.002","1297.99","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","di-μ-oxido-bis(bis{3-[bis(pyridin-2-ylmethyl)amino]propionato}manganese(IV)) bis[triaquatetranitratocerate(IV)]","","- C30 H44 Ce2 Mn2 N14 O36 -","- C30 H44 Ce2 Mn2 N14 O36 -","- C30 H44 Ce2 Mn2 N14 O36 -","1","0.5","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0186","0.0165","","","0.0408","0.0421","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018723","8.1756","0.0004","9.3263","0.0004","13.8965","0.0008","78.369","0.001","83.065","0.002","76.501","0.001","1006.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[bis{μ~2~-4-[3,5-bis(pyridin-4-yl)phenyl]pyridine}nona-μ~2~-oxido- tetraoxidocopper(II)tetramolybdenum(VI)]","","- C42 H30 Cu Mo4 N6 O13 -","- C42 H30 Cu Mo4 N6 O13 -","- C42 H30 Cu Mo4 N6 O13 -","1","0.5","SF3184","Liu, Hou-Ting; Lu, Jing","Poly[bis{μ~2~-4-[3,5-bis(pyridin-4-yl)phenyl]pyridine}nona-μ~2~-oxido-tetraoxidocopper(II)tetramolybdenum(VI)]","Acta Crystallographica Section C","2012","68","12","m329","m332","10.1107/S0108270112043648","","","0.71073","MoKα","","0.0336","0.0272","","","0.063","0.0664","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018724","7.9853","0.0006","10.8365","0.0007","28.974","0.002","90","","95.123","0.001","90","","2497.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-dichloridotetrakis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol-1-yl- κ<i>N</i>^4^)propan-1-one]copper(II) hexahydrate","","- C44 H56 Cl2 Cu N12 O10 -","- C44 H56 Cl2 Cu N12 O10 -","- C88 H112 Cl4 Cu2 N24 O20 -","2","0.5","SK3456","Guo, Jian-Hua","Metal complexes with chloride and triazole-based ligands: investigation of a well-resolved up‒up‒down‒down (uudd) cyclic water tetramer and <i>X</i>—H···Cl (<i>X</i> = O and C) hydrogen-bonding interactions","Acta Crystallographica Section C","2012","68","12","m344","m346","10.1107/S0108270112045362","","","0.71073","MoKα","","0.0516","0.0346","","","0.0862","0.0925","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018725","8.4292","0.0003","12.4129","0.0004","12.085","0.0004","90","","131.175","0.002","90","","951.76","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol- κ^2^<i>N</i>,<i>O</i>]nickel(II)","","- C18 H24 N2 Ni O6 -","- C18 H24 N2 Ni O6 -","- C36 H48 N4 Ni2 O12 -","2","0.5","SK3457","Trdin, Miha; Lah, Nina","A new polymorphic form of bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]nickel(II)","Acta Crystallographica Section C","2012","68","12","m359","m362","10.1107/S0108270112046422","","","0.71073","MoKα","","0.0389","0.0313","","","0.0707","0.0753","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018726","7.8874","0.0003","19.3046","0.0008","14.2966","0.0007","90","","102.164","0.004","90","","2127.97","0.16","99.97","0.12","99.97","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline- κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate","","- C22 H23 Cl2 N3 Pd -","- C22 H23 Cl2 N3 Pd -","- C88 H92 Cl8 N12 Pd4 -","4","1","SK3458","Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc","Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline-κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate","Acta Crystallographica Section C","2012","68","12","m356","m358","10.1107/S0108270112045970","","","0.71073","MoKα","","0.036","0.0304","","","0.0669","0.0712","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018727","8.735","0.005","15.54","0.01","24.238","0.015","90","","90","","90","","3290","3","299","1","299","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-leucyl-glycine dihydrate","<i>L</i>-Leucylglycine 0.67-hydrate","","- C24 H52 N6 O11 -","- C24 H52 N6 O11 -","- C96 H208 N24 O44 -","4","1","UK3056","Kiyotani, Tamiko; Sugawara, Yoko","<small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate","Acta Crystallographica Section C","2012","68","12","o498","o501","10.1107/S010827011204810X","","","0.7107","MoKα","","0.0742","0.0602","","","0.149","0.1605","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018728","6.006","0.0014","6.8782","0.0018","7.9717","0.0018","90.202","0.011","98.272","0.008","107.193","0.011","310.96","0.13","298","2","298","2","","","","","","","","4","P 1","P 1","1","","[(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)- 5-oxoimidazolidin-3-ium-1-yl]acetate","","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","1","1","UK3056","Kiyotani, Tamiko; Sugawara, Yoko","<small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate","Acta Crystallographica Section C","2012","68","12","o498","o501","10.1107/S010827011204810X","","","0.7107","MoKα","","0.0346","0.0342","","","0.0926","0.0934","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018729","8.0948","0.0002","9.3747","0.0002","36.291","0.001","90","","93.128","0.001","90","","2749.89","0.12","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(furosemide).(pentoxifylline)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione (1/1)","","- C25 H29 Cl N6 O8 S -","- C25 H29 Cl N6 O8 S -","- C100 H116 Cl4 N24 O32 S4 -","4","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1609","0.0699","","","0.1336","0.1614","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018730","8.4052","0.0002","9.4494","0.0003","19.6748","0.0009","92.649","0.001","99.17","0.002","111.466","0.001","1426.35","0.09","190","","190","","","","","","","","","6","P -1","-P 1","2","(furosemide).(pentoxifylline).(water)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione‒ water (1/1/1)","","- C25 H31 Cl N6 O9 S -","- C25 H31 Cl N6 O9 S -","- C50 H62 Cl2 N12 O18 S2 -","2","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1581","0.0796","","","0.1599","0.1903","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018731","9.3099","0.0002","9.5317","0.0003","19.2653","0.0007","99.733","0.002","96.057","0.002","109.197","0.003","1567.27","0.09","190","","190","","","","","","","","","6","P -1","-P 1","2","(furosemide).(pentoxifylline).(acetone)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione‒ acetone (1/1/1)","","- C28 H35 Cl N6 O9 S -","- C28 H35 Cl N6 O9 S -","- C56 H70 Cl2 N12 O18 S2 -","2","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1248","0.0629","","","0.1232","0.1465","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2105049","4.386","0.004","4.386","0.004","18.738","0.018","90","","90","","120","","312.2","0.5","296","2","296","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Li0.63 Zn0.87 -","- Li0.625714 Zn0.873429 -","- Li8.76 Zn12.228 -","14","0.388889","BP5039","Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut","Polymorphism of Li~2~Zn~3~","Acta Crystallographica Section B","2012","68","1","34","39","10.1107/S0108768111053493","","","0.71073","MoKα","","0.0579","0.0281","","","0.0584","0.0764","","","","","","1.172","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105050","4.3528","0.0014","4.3528","0.0014","8.003","0.003","90","","90","","120","","131.32","0.08","296","2","296","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Li0.62 Zn0.87 -","- Li0.623333 Zn0.88 -","- Li3.74 Zn5.28 -","6","0.5","BP5039","Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut","Polymorphism of Li~2~Zn~3~","Acta Crystallographica Section B","2012","68","1","34","39","10.1107/S0108768111053493","","","0.71073","MoKα","","0.0805","0.0575","","","0.1271","0.1419","","","","","","1.266","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105051","24.917","0.003","5.506","0.001","14.242","0.002","90","","101.77","0.01","90","","1912.8","0.5","293","","293","","","","","","","","Baccu Locci mine, near Villaputzu, Sardinia, Italy","5","C 1 2/c 1","-C 2yc","15","","","Sarrabusite","- Cl4 Cu O12 Pb5 Se4 -","- Cl4 Cu O12 Pb5 Se4 -","- Cl16 Cu4 O48 Pb20 Se16 -","4","0.5","DK5002","Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria","Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography","Acta Crystallographica Section B","2012","68","1","15","23","10.1107/S010876811104688X","","","0.0251","electron","","0.3071","0.3069","","","0.4145","0.4145","","","","","","26.69","","","","has coordinates,has Fobs","288039","2023-12-05","14:52:25",""
"2105052","11.8237","0.0004","7.3971","0.0003","17.1526","0.0007","90","","90","","90","","1500.19","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","EB5012","Chan, E. J.; Goossens, D. J.","Study of the single-crystal X-ray diffuse scattering in paracetamol polymorphs","Acta Crystallographica Section B","2012","68","1","80","88","10.1107/S0108768111046295","","","0.71073","MoKα","","0.0652","0.0399","","","0.1013","0.117","","","","","","1.023","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105053","4.338","0.0001","9.7036","0.0003","15.1253","0.0005","90","","95.793","0.003","90","","633.44","0.03","293","2","293","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 Cs2 O6 -","- C6 H4 Br2 Cs2 O6 -","- C12 H8 Br4 Cs4 O12 -","2","0.5","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0741","","","","0.2038","","","","","","1.049","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105054","3.8441","0.0002","9.4171","0.0004","15.1001","0.0006","90","","96.813","0.004","90","","542.77","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Br2 K2 O6 -","- C6 H4 Br2 K2 O6 -","- C12 H8 Br4 K4 O12 -","2","0.5","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0405","","","","0.1219","","","","","","1.071","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105055","4.0228","0.0001","9.5488","0.0003","15.1307","0.0004","90","","96.521","0.002","90","","577.45","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 O6 Rb2 -","- C6 H4 Br2 O6 Rb2 -","- C12 H8 Br4 O12 Rb4 -","2","0.5","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0471","","","","0.1283","","","","","","1.122","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105056","18.6351","0.0001","18.6351","0.0001","6.528","0.001","90","","90","","90","","2267","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C6 H7 Br2 O7 Rb -","- C6 H7 Br2 O7 Rb -","- C48 H56 Br16 O56 Rb8 -","8","1","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0436","","","","0.1363","","","","","","1.205","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105057","18.9442","0.0001","18.9442","0.0001","6.673","0.0001","90","","90","","90","","2394.82","0.04","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C6 H7 Br2 Cs O7 -","- C6 H7 Br2 Cs O7 -","- C48 H56 Br16 Cs8 O56 -","8","1","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0464","","","","0.139","","","","","","1.153","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105058","8.0223","0.0006","8.6764","0.0006","9.9131","0.0006","108.113","0.006","110.543","0.006","91.991","0.006","606.03","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Br2 Na2 O8 -","- C6 H8 Br2 Na2 O8 -","- C12 H16 Br4 Na4 O16 -","2","1","GP5046","Molčanov, Krešimir; Kojić-Prodić, Biserka","Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid","Acta Crystallographica Section B","2012","68","1","57","65","10.1107/S0108768111051159","","","1.54179","CuKα","","","0.0304","","","","0.0935","","","","","","1.031","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105059","11.6411","0.0001","7.5666","","7.4771","","90","","90","","90","","658.609","0.006","298","","298","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Antimony (III) trioxide","","- O3 Sb2 -","- O3 Sb2 -","- O24 Sb16 -","8","2","KD5053","Orosel, Denis; Dinnebier, Robert E.; Blatov, Vladislav A.; Jansen, Martin","Structure of a new high-pressure‒high-temperature modification of antimony(III) oxide, γ-Sb~2~O~3~, from high-resolution synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","1","1","7","10.1107/S0108768111046751","powder diffraction","","0.24804","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105060","11.4802","0.0002","8.0016","0.0004","5.9363","0.0002","90","","112.317","0.0008","90","","504.46","0.03","348","","348","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl2 H8 Mg O12 -","- Cl2 H8 Mg O12 -","- Cl4 H16 Mg2 O24 -","2","0.25","KD5057","Solovyov, Leonid A.","Revision of the Mg(ClO~4~)~2~·4H~2~O crystal structure","Acta Crystallographica Section B","2012","68","1","89","90","10.1107/S0108768111054371","powder diffraction","","1.5406","CuKα","","0.01988","","","","","","","","1.852","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105061","16.1235","0.0012","16.045","0.0011","16.3134","0.0012","83.583","0.006","96.87","0.006","95.663","0.006","4148.2","0.5","84","1","84","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C96 H192 B8 F32 Fe4 N96 -","4","2","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.0992","0.0697","","","0.1844","0.2182","","","","","","1.029","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105062","16.1235","0.0012","16.045","0.0011","16.3134","0.0012","83.583","0.006","96.87","0.006","95.663","0.006","4148.2","0.5","84","1","84","1","","","","","","","","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C96 H192 B8 F32 Fe4 N96 -","4","","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.104","0.0742","","","0.1921","0.2236","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105063","16.3473","0.0002","16.3475","0.0002","16.3475","0.0002","81.815","0.001","98.175","0.001","98.18","0.001","4246.89","0.09","84","1","84","1","","","","","","","","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C96 H192 B8 F32 Fe4 N96 -","4","","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.0451","0.0323","","","0.1064","0.1184","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105064","10.7023","0.0002","10.7023","0.0002","32.0931","0.0015","90","","90","","120","","3183.44","0.17","84","1","84","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C72 H144 B6 F24 Fe3 N72 -","3","0.166667","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.0254","0.0253","","","0.0664","0.0665","","","","","","0.965","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105065","9.9555","0.001","15.0855","0.0015","17.5006","0.0019","65.258","0.006","88.309","0.005","74.854","0.004","2294.5","0.4","157","2","157","2","","","","","","","","2","P -1","-P 1","2","C60^.^4benzene","","","- C84 H24 -","- C84 H24 -","- C168 H48 -","2","1","RY5039","Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man","An order‒disorder phase transition in the structure of C~60~·4benzene","Acta Crystallographica Section B","2012","68","1","66","70","10.1107/S0108768111046593","","","0.71073","MoKα","","0.1874","0.1392","","","0.4371","0.4832","","","","","","1.81","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105066","9.9217","0.0013","15.044","0.002","34.807","0.004","65.371","0.007","88.254","0.005","74.912","0.004","4541.9","1","93","2","93","2","","","","","","","","2","P -1","-P 1","2","C60^.^4benzene","","","- C84 H24 -","- C84 H24 -","- C336 H96 -","4","2","RY5039","Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man","An order‒disorder phase transition in the structure of C~60~·4benzene","Acta Crystallographica Section B","2012","68","1","66","70","10.1107/S0108768111046593","","","0.71073","MoKα","","0.0927","0.0529","","","0.1308","0.1449","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105067","9.8842","0.0012","15.0159","0.0019","34.691","0.004","65.377","0.003","88.098","0.003","74.812","0.002","4500.2","1","13","2","13","2","","","","","","","","2","P -1","-P 1","2","C~60~^.^4benzene","","","- C84 H24 -","- C84 H24 -","- C336 H96 -","4","2","RY5039","Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man","An order‒disorder phase transition in the structure of C~60~·4benzene","Acta Crystallographica Section B","2012","68","1","66","70","10.1107/S0108768111046593","","","0.71073","MoKα","","0.2018","0.0503","","","0.0636","0.0907","","","","","","0.71","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105068","5.0816","0.0006","11.0087","0.0012","14.5301","0.0016","108.935","0.008","97.042","0.009","93.092","0.009","759.24","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(6Z)-6-({[2-(hydroxymethyl)phenyl]amino}methylidene) -3,5-dimethoxycyclohexa-2,4-dien-1-one monohydrate","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","RY5040","Karabıyık, Hasan; Karabıyık, Hande; Ocak İskeleli, Nazan","Hydrogen-bridged chelate ring-assisted π-stacking interactions","Acta Crystallographica Section B","2012","68","1","71","79","10.1107/S0108768111052608","","","0.71073","MoKα","","0.1026","0.0566","","","0.1344","0.1579","","","","","","0.965","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105069","9.021","0.002","9.021","0.002","9.369","0.004","90","","90","","120","","660.3","0.3","355","0.2","355","0.2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C4.98 H6 Cl Cr N1.02 O3 -","- C14.94 H18 Cl3 Cr3 N3.06 O9 -","3","0.0833333","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.3315","0.0723","","","0.1673","0.2681","","","","","","0.75","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105070","8.8349","0.0012","8.8349","0.0012","9.396","0.0016","90","","90","","120","","635.15","0.16","320","0.2","320","0.2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C4.98 H6 Cl Cr N1.02 O3 -","- C14.94 H18 Cl3 Cr3 N3.06 O9 -","3","0.166667","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.1015","0.0493","","","0.1056","0.1148","","","","","","0.977","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105071","7.7193","0.0007","8.6842","0.0007","6.3139","0.0005","90","","96.25","0.009","90","","420.74","0.06","298","0.2","298","0.2","","","","","","","","6","C 1 m 1","C -2y","8","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C5 H6 Cl Cr N O3 -","- C10 H12 Cl2 Cr2 N2 O6 -","2","0.5","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.0586","0.0371","","","0.0816","0.0877","","","","","","0.819","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105072","7.3539","0.0003","8.4985","0.0003","12.9706","0.0006","90","","95.481","0.003","90","","806.92","0.06","120","0.2","120","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C5 H6 Cl Cr N O3 -","- C20 H24 Cl4 Cr4 N4 O12 -","4","1","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.0282","0.0257","","","0.0612","0.0635","","","","","","1.047","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105073","18.8929","","24.4634","","15.7376","","90","","110.52","","90","","6812.18","","295","","295","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C50 H102 O46 S2 -","- C50 O46 S2 -","- C200 O184 S8 -","4","1","GP5045","Rácz, Csaba-Pal; Borodi, Gheorghe; Pop, Mihaela Maria; Kacso, Irina; Sánta, Szabolcs; Tomoaia-Cotisel, Maria","Structure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data","Acta Crystallographica Section B","2012","68","2","164","170","10.1107/S0108768112004284","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.12487","","5.53","","","","","","","has coordinates,has Fobs","200438","2020-10-21","18:00:00",""
"2105074","5.6777","0.0001","11.4769","0.0002","15.5289","0.0003","90","","95.974","0.002","90","","1006.4","0.03","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fpp","4-Fluoro-N-(pyridin-4-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0382","0.0337","","","0.0863","0.0898","","","","","","1.043","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105075","5.7961","0.0001","11.305","0.0002","15.2384","0.0002","90","","94.238","0.001","90","","995.76","0.03","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fmp","3-Fluoro-N-(pyridin-4-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0376","0.0341","","","0.0891","0.0922","","","","","","1.05","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105076","6.0388","0.0001","11.2502","0.0002","14.9265","0.0003","90","","95.31","0.002","90","","1009.72","0.03","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fop","2-Fluoro-N-(pyridin-4-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0444","0.0374","","","0.0975","0.103","","","","","","1.02","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105077","13.9411","0.0003","5.204","0.0001","15.0752","0.0003","90","","114.812","0.003","90","","992.74","0.04","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fpm_O","4-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0463","0.0415","","","0.1096","0.1135","","","","","","1.032","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105078","3.9077","0.0002","24.2444","0.0012","10.7012","0.0005","90","","95.181","0.005","90","","1009.69","0.09","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fpm_N","4-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.112","0.0527","","","0.0944","0.1199","","","","","","0.96","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105079","11.302","0.0003","11.8371","0.0003","7.6218","0.0002","90","","90","","90","","1019.67","0.05","294","1","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Fmm","3-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.047","0.033","","","0.0799","0.0836","","","","","","1.024","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105080","16.2051","0.0004","5.2239","0.0001","35.8162","0.0009","90","","98.405","0.003","90","","2999.41","0.12","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","Fom","2-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C144 H108 F12 N24 O12 -","12","6","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","1.54184","CuKα","","0.0658","0.0594","","","0.1686","0.1763","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105081","5.4788","0.0002","8.8223","0.0004","20.4414","0.0007","90","","92.15","0.004","90","","987.35","0.07","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fom_F","2-Fluoro-N-(pyridin-3-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.063","0.0437","","","0.1095","0.1217","","","","","","1.046","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105082","24.3381","0.0004","7.9334","0.0001","10.8791","0.0002","90","","90","","90","","2100.58","0.06","294","1","294","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Fpo","4-Fluoro-N-(pyridin-2-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","1","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0526","0.0422","","","0.1061","0.1131","","","","","","1.037","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105083","10.4219","0.0004","10.7183","0.0004","11.0188","0.0003","102.286","0.003","97.356","0.003","117.074","0.004","1034.49","0.08","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Fmo","3-Fluoro-N-(pyridin-2-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","2","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0569","0.0464","","","0.1152","0.1244","","","","","","1.034","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105084","9.756","0.0004","10.7699","0.0005","11.9694","0.0002","64.412","0.004","68.453","0.004","86.091","0.004","1048.87","0.08","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Foo","2-Fluoro-N-(pyridin-2-yl)benzamide","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","2","GP5047","Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships","Acta Crystallographica Section B","2012","68","2","189","203","10.1107/S0108768112006799","","","0.71073","MoKα","","0.0547","0.0437","","","0.1058","0.1141","","","","","","1.037","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105085","4.53125","0.00008","5.99235","0.00008","14.7567","0.0003","88.2562","0.0012","81.6029","0.0015","81.2337","0.0013","391.747","0.012","298","","298","","","","","","","","","4","P -1","-P 1","2","TDIC","toluene-2,4-diisocyanate","","- C18 H12 N4 O4 -","- C18 H12 N4 O4 -","- C18 H12 N4 O4 -","1","0.5","KD5060","Vella-Zarb, Liana; Dinnebier, Robert E.","Form, function and functionality of two dimeric toluene-2,4-diisocyanate polymorphs","Acta Crystallographica Section B","2012","68","2","204","208","10.1107/S0108768112008592","powder diffraction","","1.54059","CuKα","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105086","9.09477","0.00008","7.45366","0.00005","12.75989","0.00016","93.5753","0.0008","99.7115","0.0006","114.005","0.0006","770.563","0.014","298","","298","","","","","","","","","4","P -1","-P 1","2","TDIC","toluene-2,4-diisocyanate","","- C18 H12 N4 O4 -","- C18 H12 N4 O4 -","- C36 H24 N8 O8 -","2","1","KD5060","Vella-Zarb, Liana; Dinnebier, Robert E.","Form, function and functionality of two dimeric toluene-2,4-diisocyanate polymorphs","Acta Crystallographica Section B","2012","68","2","204","208","10.1107/S0108768112008592","powder diffraction","","1.54059","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105087","15.2181","0.0003","22.008","0.0003","16.0005","0.0003","90","","118.393","0.002","90","","4714.25","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H42 Br5 Fe3 N6 Ni O4 -","- C44 H42 Br5 Fe3 N6 Ni O4 -","- C176 H168 Br20 Fe12 N24 Ni4 O16 -","4","1","PS5014","Guzei, Ilia; Herbst-Irmer, Regine; Munyaneza, Apollinaire; Darkwa, James","Detailed example of the identification and crystallographic analysis of a pseudo-merohedrally twinned crystal","Acta Crystallographica Section B","2012","68","2","150","157","10.1107/S0108768112002728","","","1.54178","CuKα","","0.0328","0.0319","","","0.0778","0.0783","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2105088","33.957","0.003","23.8834","0.0017","17.1688","0.0012","90","","90.079","0.001","90","","13924","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H44 N8 O23.04 Zn5 -","- C75 H44 N8 O23.037 Zn5 -","- C600 H352 N64 O184.296 Zn40 -","8","1","SO5059","Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen","Two novel Zn-MOFs: structures and characterization","Acta Crystallographica Section B","2012","68","2","158","163","10.1107/S0108768112007999","","","0.6889","synchrotron","","0.0472","0.0387","","","0.0862","0.0923","","","","","","1.064","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105089","15.4925","0.0004","15.6741","0.0006","17.0388","0.0005","90","","92.353","0.003","90","","4134.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 N4 O17 Zn4 -","- C42 H22 N4 O17 Zn4 -","- C168 H88 N16 O68 Zn16 -","4","0.5","SO5059","Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen","Two novel Zn-MOFs: structures and characterization","Acta Crystallographica Section B","2012","68","2","158","163","10.1107/S0108768112007999","","","0.71073","MoKα","","0.1137","0.0462","","","0.066","0.0756","","","","","","0.822","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105090","13.1383","0.0012","13.1383","0.0012","20.995","0.003","90","","90","","120","","3138.5","0.6","150","2","150","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","Tris(2,2?-bipyridyl)dichlororuthenium(II) hexahydrate","","- C30 H36 Cl2 N6 O6 Ru -","- C30 H24 N6 Ru -","- C120 H96 N24 Ru4 -","4","0.166667","ZB5022","Low, Kian Sing; Cole, Jacqueline M.; Zhou, Xiaolan; Yufa, Nataliya","Rationalizing the molecular origins of Ru- and Fe-based dyes for dye-sensitized solar cells","Acta Crystallographica Section B","2012","68","2","137","149","10.1107/S0108768112009263","","","0.71073","MoKα","","0.0769","0.0614","","","0.1439","0.1529","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2105091","13.1837","0.0009","13.1837","0.0009","21.2735","0.0014","90","","90","","120","","3202.2","0.4","150","2","150","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","tris(2,2'-bipyridyl) iron(II) dithiocyanate","","- C32 H24 Fe N8 S2 -","- C30 H24 Fe N6 -","- C120 H96 Fe4 N24 -","4","0.166667","ZB5022","Low, Kian Sing; Cole, Jacqueline M.; Zhou, Xiaolan; Yufa, Nataliya","Rationalizing the molecular origins of Ru- and Fe-based dyes for dye-sensitized solar cells","Acta Crystallographica Section B","2012","68","2","137","149","10.1107/S0108768112009263","","","0.71075","MoKα","","0.0541","0.0487","","","0.1118","0.1145","","","","","","1.134","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105093","4.8431","0.0005","9.0258","0.0005","10.319","0.009","90","","100.86","0.03","90","","443","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0421","0.0277","","","0.0622","0.0672","","","","","","1.017","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105094","4.8424","0.0006","8.9832","0.0006","10.25","0.011","90","","101.03","0.04","90","","437.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0447","0.0314","","","0.0693","0.0743","","","","","","1.068","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105095","4.8307","0.0012","8.956","0.002","10.175","0.01","90","","101.33","0.05","90","","431.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0608","0.0286","","","0.0437","0.0468","","","","","","0.887","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105096","4.8361","0.0005","8.9202","0.0006","10.123","0.008","90","","101.49","0.03","90","","427.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0417","0.0309","","","0.0665","0.0704","","","","","","1.018","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105097","4.8329","0.0005","8.9119","0.0006","10.088","0.007","90","","101.58","0.03","90","","425.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0456","0.03","","","0.0617","0.0671","","","","","","1.04","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105098","4.8235","0.0005","8.8863","0.0006","10.094","0.008","90","","101.69","0.03","90","","423.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0399","0.0301","","","0.0647","0.0684","","","","","","1.082","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105099","4.8098","0.0004","8.8377","0.0005","9.971","0.008","90","","101.94","0.03","90","","414.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.044","0.0345","","","0.0762","0.08","","","","","","1.078","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105100","4.7926","0.0005","8.7932","0.0005","9.907","0.009","90","","102.14","0.04","90","","408.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0429","0.0306","","","0.0674","0.0733","","","","","","1.089","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105101","4.7708","0.0006","8.7429","0.0007","9.864","0.011","90","","102.14","0.04","90","","402.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0371","0.0286","","","0.0696","0.0732","","","","","","1.035","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105102","4.7576","0.0006","8.7046","0.0006","9.785","0.011","90","","102.25","0.04","90","","396","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0414","0.0319","","","0.0752","0.0801","","","","","","1.121","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105103","4.7505","0.0006","8.6644","0.0006","9.725","0.011","90","","102.35","0.04","90","","391","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-serine","2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0418","0.0315","","","0.0731","0.0783","","","","","","1.069","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105104","5.59","0.002","8.569","0.013","9.233","0.007","90","","90","","90","","442.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1434","0.0636","","","0.1029","0.1283","","","","","","0.98","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105105","5.603","0.003","8.577","0.015","9.231","0.008","90","","90","","90","","443.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1465","0.0617","","","0.1013","0.1246","","","","","","1.008","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105106","5.5885","0.0014","8.542","0.009","9.146","0.004","90","","90","","90","","436.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1472","0.061","","","0.119","0.1521","","","","","","0.97","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105107","5.5741","0.0017","8.436","0.009","9.088","0.005","90","","90","","90","","427.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1421","0.0649","","","0.1251","0.1541","","","","","","1.011","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105108","5.5668","0.0017","8.463","0.01","9.072","0.005","90","","90","","90","","427.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1366","0.0594","","","0.1108","0.1377","","","","","","0.978","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105109","5.514","0.002","8.396","0.011","8.868","0.006","90","","90","","90","","410.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.126","0.0529","","","0.0903","0.1116","","","","","","0.934","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105110","5.5267","0.0018","8.366","0.01","8.812","0.005","90","","90","","90","","407.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.139","0.06","","","0.1006","0.1232","","","","","","0.927","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105111","5.489","0.002","8.339","0.01","8.632","0.006","90","","90","","90","","395.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1581","0.0647","","","0.1204","0.1519","","","","","","0.942","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105112","5.631","0.003","6.921","0.015","9.619","0.008","90","","90","","90","","374.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0979","0.0598","","","0.0767","0.0864","","","","","","1.025","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105113","4.911","0.0007","20.922","0.003","10.2744","0.0015","90","","114.586","0.01","90","","960","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.1059","0.0475","","","0.0827","0.0955","","","","","","0.888","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105114","4.9022","0.0007","20.901","0.003","10.273","0.0015","90","","114.6","0.01","90","","957","0.3","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.1002","0.0431","","","0.0734","0.0854","","","","","","0.87","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105115","4.896","0.0006","20.878","0.002","10.2701","0.0013","90","","114.634","0.009","90","","954.3","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.0917","0.0436","","","0.0751","0.0855","","","","","","0.883","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105116","4.8888","0.0006","20.859","0.002","10.2664","0.0013","90","","114.648","0.009","90","","951.5","0.2","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.0834","0.0415","","","0.0727","0.0811","","","","","","0.878","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105117","4.9155","0.0007","20.215","0.003","10.1862","0.0016","85.578","0.014","113.133","0.011","88.301","0.013","926","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.1096","0.0491","","","0.0689","0.0805","","","","","","0.891","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105118","4.9098","0.0007","20.194","0.003","10.1777","0.0015","85.571","0.013","113.118","0.01","88.306","0.012","923.3","0.2","175","2","175","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.1078","0.0487","","","0.0728","0.0881","","","","","","0.889","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105119","4.9021","0.0007","20.167","0.003","10.1686","0.0015","85.54","0.011","113.122","0.01","88.27","0.011","919.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.0816","0.0392","","","0.0673","0.0767","","","","","","0.883","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105120","4.8952","0.0006","20.151","0.003","10.1585","0.0013","85.518","0.011","113.088","0.009","88.264","0.011","917","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.0764","0.0391","","","0.0679","0.0754","","","","","","0.899","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105121","4.8884","0.0007","20.136","0.003","10.1518","0.0015","85.486","0.013","113.065","0.01","88.263","0.012","914.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","Propane-1,3-dicarboxylic acid ‒ Aminoethanoic acid (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","GP5050","Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Low-temperature phase transition in glycine‒glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry","Acta Crystallographica Section B","2012","68","3","287","296","10.1107/S0108768112015972","","","0.71073","MoKα","","0.103","0.0529","","","0.0821","0.0971","","","","","","0.977","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105122","8.9716","0.0005","10.3943","0.0007","31.5444","0.0012","90","","90","","90","","2941.6","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N6 O12 S2 -","- C22 H32 N6 O12 S2 -","- C88 H128 N24 O48 S8 -","4","1","GW5017","Schürmann, C. J.; Pröpper, K.; Wagner, T.; Dittrich, B.","Invariom modeling of ceftazidime pentahydrate: molecular properties from a 200 second synchrotron microcrystal experiment","Acta Crystallographica Section B","2012","68","3","313","317","10.1107/S0108768112017831","","","0.65","monochromatedsynchrotronradiation","","0.0982","0.06","","","","0.0669","","","","","","1.5191","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105123","10.814","0.002","12.011","0.002","15.727","0.003","89.25","0.03","81.21","0.03","89.97","0.03","2018.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","2","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71073","MoKα","","0.0909","0.0443","","","0.1137","0.1276","","","","","","0.921","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105124","10.7505","0.0006","11.5008","0.0007","16.3284","0.0008","87.959","0.001","83.166","0.002","89.536","0.002","2003.2","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","2","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.1102","0.0425","","","0.1026","0.1425","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105125","10.7392","0.0012","11.5369","0.0015","16.1292","0.0019","88.032","0.003","82.446","0.003","89.642","0.003","1979.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","2","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.1741","0.0641","","","0.1232","0.1644","","","","","","1.02","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105126","18.0699","0.0014","10.5997","0.001","10.3838","0.0009","90","","92.858","0.002","90","","1986.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.05 H26.14 Br N O -","- C21.048 H26.144 Br N O -","- C84.192 H104.576 Br4 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.1655","0.0589","","","0.1093","0.1466","","","","","","1.019","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105127","12.4043","0.0006","8.9918","0.0005","16.6903","0.0007","90","","90","","90","","1861.59","0.16","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H27 N O -","- C21 H27 N O -","- C84 H108 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.044","0.0388","","","0.0982","0.1009","","","","","","1.057","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105128","6.1482","0.0004","19.5491","0.0013","17.0976","0.0013","90","","109.453","0.003","90","","1937.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71069","MoKα","","0.1058","0.0724","","","0.1815","0.2064","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105129","4.6868","0.0001","18.9497","0.0004","12.8231","0.0002","90","","105.968","0.001","90","","1094.92","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","1.54186","CuKα","","0.0646","0.0556","","","0.165","0.1698","","","","","","1.081","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105130","14.3711","0.0008","6.4227","0.0004","17.9938","0.0009","90","","116.819","0.004","90","","1482.2","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17.12 H19.35 N O -","- C17.117 H19.351 N O -","- C68.468 H77.404 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.0825","0.0572","","","0.1708","0.1895","","","","","","1.13","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105131","9.473","","11.977","","3.2377","","90","","98.71","","90","","363.107","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1457","0.0868","","","0.1273","0.1312","","","","","","5.69","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105132","9.3887","","11.968","","3.196","","90","","97.93","","90","","355.681","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1295","0.0754","","","0.0866","0.0942","","","","","","4.61","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105133","9.3174","","11.9774","","3.1597","","90","","97.1782","","90","","349.853","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1242","0.0638","","","0.0674","0.0765","","","","","","3.32","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105134","9.2363","","11.9873","","3.1205","","90","","96.1667","","90","","343.497","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.117","0.0662","","","0.0714","0.0795","","","","","","3.77","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105135","9.1834","","12.0234","","3.0886","","90","","95.7294","","90","","339.326","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1024","0.074","","","0.0899","0.0912","","","","","","4.36","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105136","9.1142","","12.0534","","3.0574","","90","","95.0321","","90","","334.583","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1291","0.0796","","","0.0859","0.0942","","","","","","4.6","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105137","12.699","","9.039","","2.9943","","90","","107.18","","90","","328.369","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1917","0.1251","","","0.167","0.1713","","","","","","7.7","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105138","12.6665","","9.0153","","2.9827","","90","","107.13","","90","","325.492","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1581","0.0919","","","0.0928","0.1007","","","","","","4.41","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105139","12.6235","","8.9926","","2.9704","","90","","107.076","","90","","322.33","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.085","0.0677","","","0.079","0.0808","","","","","","4.55","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105140","12.582","","8.965","","2.9572","","90","","107.05","","90","","318.905","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1469","0.0988","","","0.126","0.1298","","","","","","6.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105141","9.2295","","12.0064","","3.1155","","90","","96.3516","","90","","343.119","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1226","0.0678","","","0.0769","0.0877","","","","","","4.2","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105142","5.2006","0.0005","14.6298","0.0015","14.7246","0.0015","68.729","0.002","83.507","0.002","85.412","0.002","1036.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Ag N3 O2 -","- C22 H26 Ag N3 O2 -","- C44 H52 Ag2 N6 O4 -","2","1","BP5042","Liu, Jianguo; Zeng, Xiaoyan; Li, Hua","Synthesis, structure and spectroscopic properties of a novel compound <i>bis</i>(benzylamino)silver(I) benzylcarbamate","Acta Crystallographica Section B","2012","68","4","401","406","10.1107/S0108768112030212","","","0.71073","MoKα","","0.0308","0.0267","","","0.0653","0.0675","","","","","","1.066","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105143","11.994","0.002","6.0103","0.0016","5.8421","0.0005","90","","90","","90","","421.14","0.14","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0637","0.0395","","","0.0701","0.0771","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105144","11.938","0.003","5.9485","0.0018","5.8266","0.0006","90","","90","","90","","413.77","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0614","0.0415","","","0.0744","0.0811","","","","","","1.051","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105145","11.852","0.002","5.8715","0.0014","5.8057","0.0005","90","","90","","90","","404.01","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0605","0.0391","","","0.0634","0.0687","","","","","","1.019","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105146","11.7991","0.0015","5.7917","0.0015","5.79","0.0004","90","","90","","90","","395.67","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0497","0.0367","","","0.0629","0.0671","","","","","","1.047","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105147","11.77","0.003","5.751","0.004","5.7748","0.0008","90","","90","","90","","390.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0673","0.0463","","","0.0753","0.0813","","","","","","1.062","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105148","11.677","0.002","5.705","0.002","5.7311","0.0008","90","","90","","90","","381.79","0.16","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0674","0.042","","","0.0611","0.0686","","","","","","0.993","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105149","11.6535","0.0018","5.681","0.003","5.7217","0.0006","90","","90","","90","","378.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0562","0.0374","","","0.0543","0.0589","","","","","","1.003","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105150","11.617","0.003","5.611","0.004","5.7156","0.0015","90","","90","","90","","372.6","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0631","0.0403","","","0.0668","0.0731","","","","","","0.996","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105151","11.5877","0.0017","5.617","0.003","5.6894","0.0005","90","","90","","90","","370.3","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0595","0.04","","","0.0591","0.0634","","","","","","1.028","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105152","11.572","0.004","5.567","0.005","5.671","0.0011","90","","90","","90","","365.3","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0664","0.0411","","","0.0697","0.0777","","","","","","0.95","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105153","11.537","0.003","5.554","0.003","5.6456","0.0008","90","","90","","90","","361.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0599","0.0419","","","0.0715","0.0787","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105154","11.4915","0.0017","5.5249","0.0018","5.6262","0.0005","90","","90","","90","","357.2","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0583","0.0412","","","0.0661","0.0706","","","","","","1.089","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105155","11.452","0.003","5.516","0.003","5.606","0.0007","90","","90","","90","","354.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0655","0.04","","","0.0635","0.0707","","","","","","0.995","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105156","6.2414","0.0012","7.2335","0.0017","11.546","0.002","105.371","0.018","101.944","0.016","91.7","0.018","489.76","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 F N6 O -","- C8 H9 F N6 O -","- C16 H18 F2 N12 O2 -","2","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0955","0.072","","","0.1879","0.2098","","","","","","0.947","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105157","7.9835","0.0014","10.0664","0.0012","9.838","0.0016","90","","111.266","0.013","90","","736.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0611","0.0477","","","0.1122","0.118","","","","","","0.965","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105158","7.6548","0.0012","9.3233","0.0014","12.848","0.002","83.406","0.012","83.529","0.012","81.42","0.012","896.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 F2 N9 O4 -","- C14 H17 F2 N9 O4 -","- C28 H34 F4 N18 O8 -","2","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.089","0.063","","","0.1515","0.1653","","","","","","0.949","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105159","15.5508","0.0015","11.7839","0.0007","11.4971","0.0012","90","","101.66","0.008","90","","2063.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 F N6 O3 -","- C8 H9 F N6 O3 -","- C64 H72 F8 N48 O24 -","8","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0506","0.0373","","","0.0911","0.0961","","","","","","0.991","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105160","8.328","0.0012","9.3484","0.0014","9.4779","0.0015","61.797","0.011","64.5","0.011","67.138","0.011","570.83","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 F N7 O3 -","- C8 H12 F N7 O3 -","- C16 H24 F2 N14 O6 -","2","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0619","0.0469","","","0.1134","0.1218","","","","","","0.964","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105161","9.0866","0.0014","9.3632","0.0015","9.4019","0.0015","104.72","0.013","94.34","0.013","102.01","0.013","749.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 F N8 O3 -","- C11 H17 F N8 O3 -","- C22 H34 F2 N16 O6 -","2","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.1026","0.0484","","","0.0901","0.1056","","","","","","0.893","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105162","7.1894","0.0012","10.0991","0.0015","10.9953","0.0019","104.97","0.01","105.33","0.01","110.85","0.01","662.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 F2 N15 O5 -","- C19 H27 F2 N15 O5 -","- C19 H27 F2 N15 O5 -","1","0.5","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0908","0.0568","","","0.1573","0.1699","","","","","","1.066","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105163","11.2283","0.0011","15.1837","0.0012","18.829","0.0017","71.262","0.007","87.187","0.008","88.46","0.007","3036.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F2 N11 O4 -","- C15 H21 F2 N11 O4 -","- C90 H126 F12 N66 O24 -","6","3","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.1385","0.0598","","","0.1145","0.1393","","","","","","0.899","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105164","10.9182","0.0011","11.1666","0.0008","7.9786","0.0009","90","","108.346","0.008","90","","923.3","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C32 H44 N20 O12 -","4","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0861","0.0575","","","0.1266","0.1398","","","","","","0.989","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105165","7.0859","0.0005","9.0414","0.0005","22.8754","0.0016","90","","98.155","0.006","90","","1450.73","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F N8 O4 -","- C12 H15 F N8 O4 -","- C48 H60 F4 N32 O16 -","4","1","GP5052","Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst","Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","431","443","10.1107/S010876811202561X","","","0.71073","MoKα","","0.0484","0.0391","","","0.095","0.0983","","","","","","0.95","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105166","8.4065","0.0017","8.9045","0.0018","10.6441","0.0019","111.163","0.015","96.337","0.015","105.703","0.016","695.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H15 F N6 O4 S -","- C8 H15 F N6 O4 S -","- C16 H30 F2 N12 O8 S2 -","2","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.131","0.0943","","","0.2447","0.282","","","","","","0.97","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105167","11.4303","0.0012","7.1695","0.0008","8.9753","0.0011","90","","102.194","0.009","90","","718.93","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.1052","0.0608","","","0.1436","0.1604","","","","","","0.853","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105168","9.4478","0.0009","23.7171","0.0016","7.2635","0.0007","90","","96.7","0.008","90","","1616.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F N6 O5 S -","- C12 H17 F N6 O5 S -","- C48 H68 F4 N24 O20 S4 -","4","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.06","0.0453","","","0.1055","0.1123","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105169","4.5285","0.0007","10.1491","0.0017","12.626","0.002","75.967","0.013","89.785","0.013","82.918","0.013","558.47","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 F N6 O2 -","- C9 H11 F N6 O2 -","- C18 H22 F2 N12 O4 -","2","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.0734","0.0634","","","0.1653","0.1746","","","","","","0.957","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105170","5.1193","0.0008","9.3392","0.0015","12.4862","0.0019","97.103","0.012","93.662","0.013","95.766","0.013","587.63","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 F N6 O3 -","- C9 H13 F N6 O3 -","- C18 H26 F2 N12 O6 -","2","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.0975","0.05","","","0.108","0.1219","","","","","","0.783","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105171","6.9824","0.0011","9.1224","0.0014","17.651","0.003","88.329","0.012","89.875","0.012","75.513","0.012","1088.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H31 N9 O4 -","- C17 H31 N9 O4 -","- C34 H62 N18 O8 -","2","1","GP5053","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites","Acta Crystallographica Section B","2012","68","4","444","452","10.1107/S0108768112029977","","","0.71073","MoKα","","0.1191","0.0755","","","0.2138","0.2335","","","","","","1.047","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105172","27.4626","0.0004","12.1845","0.0002","40.2287","0.0006","90","","122.026","0.001","90","","11412.5","0.3","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14.0001 H30 N4.0002 Ni O13.0006 -","- C280.002 H600 N80.004 Ni20 O260.012 -","20","","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1506","0.0581","","","0.1201","0.1462","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2105173","12.1642","0.0001","12.183","0.0001","16.0891","0.0002","90","","105.457","0.001","90","","2298.11","0.04","150","0.5","150","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0731","0.0388","","","0.0849","0.0965","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105174","12.1419","0.0001","12.1359","0.0002","16.0351","0.0002","90.063","0.001","105.463","0.001","90.036","0.001","2277.29","0.05","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0627","0.0385","","","0.079","0.0878","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105175","12.146","0.0001","12.1435","0.0001","16.0428","0.0002","90.056","0.001","105.463","0.001","90.041","0.001","2280.58","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0654","0.0401","","","0.086","0.0953","","","","","","1.043","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105176","12.1497","0.0001","12.1522","0.0002","16.0517","0.0002","90.05","0.001","105.459","0.001","90.028","0.001","2284.22","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0677","0.0416","","","0.0905","0.1005","","","","","","1.038","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105177","12.1535","0.0001","12.1624","0.0001","16.0614","0.0002","90.036","0.001","105.464","0.001","90.026","0.001","2288.18","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.072","0.0438","","","0.0988","0.1092","","","","","","1.129","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105178","12.1559","0.0001","12.1708","0.0001","16.0713","0.0002","90.025","0.001","105.458","0.001","90.007","0.001","2291.69","0.04","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0779","0.0489","","","0.1155","0.126","","","","","","1.304","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105179","12.1585","0.0001","12.1793","0.0001","16.0832","0.0001","90.008","0.001","105.457","0.001","89.99","0.001","2295.49","0.03","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","2","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0876","0.0542","","","0.1291","0.1432","","","","","","1.492","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105180","12.1621","0.0002","12.189","0.0002","16.0933","0.0002","90","","105.451","0.001","90","","2299.51","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0903","0.0426","","","0.0909","0.1071","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105181","12.1663","0.0002","12.1968","0.0002","16.1044","0.0002","90","","105.462","0.001","90","","2303.24","0.06","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0946","0.0429","","","0.0923","0.1095","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105182","12.1688","0.0002","12.2058","0.0002","16.1152","0.0002","90","","105.437","0.001","90","","2307.24","0.06","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0943","0.0427","","","0.0943","0.1123","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105183","12.169","0.0002","12.2143","0.0002","16.1331","0.0003","90","","105.447","0.001","90","","2311.34","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1083","0.0455","","","0.0964","0.1179","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105184","12.1714","0.0002","12.2246","0.0002","16.1457","0.0003","90","","105.438","0.001","90","","2315.65","0.07","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1128","0.0469","","","0.1042","0.1279","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105185","12.1721","0.0002","12.2362","0.0002","16.1601","0.0003","90","","105.43","0.001","90","","2320.14","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1202","0.0493","","","0.1092","0.1354","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105186","12.1709","0.0002","12.2501","0.0002","16.1777","0.0003","90","","105.425","0.001","90","","2325.13","0.07","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1283","0.0538","","","0.1284","0.1604","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105187","12.166","0.0001","12.2684","0.0002","16.2006","0.0003","90","","105.428","0.001","90","","2330.93","0.06","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1103","0.0621","","","0.1596","0.1808","","","","","","1.221","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105188","12.1244","0.0002","12.3469","0.0002","8.1483","0.0001","90","","105.518","0.002","90","","1175.32","0.03","243","2","243","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O12.9992 -","- C28 H60 N8 Ni2 O25.9984 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0837","0.0411","","","0.1033","0.1207","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105189","12.1288","0.0002","12.3503","0.0002","8.1537","0.0001","90","","105.487","0.002","90","","1177.03","0.03","253","2","253","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C28 H60 N8 Ni2 O26 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0839","0.0434","","","0.1063","0.1244","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105190","12.1431","0.0002","12.3715","0.0002","8.1677","0.0001","90","","105.405","0.002","90","","1182.94","0.03","263","2","263","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13.0008 -","- C28 H60 N8 Ni2 O26.0016 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.088","0.043","","","0.1074","0.1276","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105191","12.1511","0.0002","12.388","0.0002","8.1827","0.0001","90","","105.358","0.002","90","","1187.74","0.03","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C28 H60 N8 Ni2 O26 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0907","0.0432","","","0.1106","0.1321","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105192","12.1755","0.0002","12.2435","0.0002","16.1725","0.0003","90","","105.418","0.001","90","","2324.08","0.07","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0863","0.0449","","","0.1078","0.1268","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105193","12.1737","0.0002","12.2516","0.0002","16.1824","0.0003","90","","105.414","0.001","90","","2326.75","0.07","215","2","215","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0899","0.0475","","","0.1188","0.1381","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105194","12.1722","0.0002","12.2573","0.0002","16.1891","0.0003","90","","105.412","0.001","90","","2328.53","0.07","218","2","218","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.097","0.0524","","","0.1346","0.1567","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105195","12.1701","0.0002","12.264","0.0002","16.1967","0.0003","90","","105.412","0.001","90","","2330.49","0.07","221","2","221","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1031","0.0566","","","0.1447","0.167","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105196","12.1682","0.0002","12.2695","0.0002","16.2038","0.0003","90","","105.412","0.001","90","","2332.2","0.07","224","2","224","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1078","0.0594","","","0.1532","0.1747","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105197","12.1643","0.0002","12.2777","0.0002","16.2129","0.0003","90","","105.416","0.001","90","","2334.27","0.07","227","2","227","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1175","0.0653","","","0.1687","0.1922","","","","","","1.233","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105198","12.1589","0.0002","12.2883","0.0002","16.2261","0.0003","90","","105.427","0.001","90","","2337.03","0.07","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13 -","- C56 H120 N16 Ni4 O52 -","4","1","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.1332","0.0736","","","0.193","0.2175","","","","","","1.36","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105199","12.1311","0.0002","12.3391","0.0002","8.1432","0.0001","90","","105.506","0.001","90","","1174.56","0.03","243","1","243","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate","","- C14 H30 N4 Ni O13 -","- C14 H30 N4 Ni O13.0008 -","- C28 H60 N8 Ni2 O26.0016 -","2","0.5","HW5021","Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase","Acta Crystallographica Section B","2012","68","4","389","400","10.1107/S0108768112018319","","","0.71073","MoKα","","0.0815","0.0405","","","0.0989","0.1145","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105200","5.43867","0.00018","10.9236","0.0003","15.4564","0.0004","90","","90","","90","","918.26","0.05","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.901","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105201","5.4457","0.0003","10.9401","0.0007","15.4698","0.0009","90","","90","","90","","921.64","0.09","400","","400","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4079","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105202","5.456","0.0004","10.9617","0.0008","15.4893","0.0012","90","","90","","90","","926.37","0.12","500","","500","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.5508","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105203","5.4668","0.0004","10.9862","0.0009","15.5103","0.0014","90","","90","","90","","931.54","0.13","600","","600","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4074","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105204","5.4788","0.0005","11.0123","0.0011","15.5359","0.0018","90","","90","","90","","937.35","0.17","700","","700","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4794","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105205","5.4888","0.0002","11.0346","0.0004","15.5598","0.0005","90","","90","","90","","942.41","0.06","773","","773","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","5.9903","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105206","7.8033","0.0006","7.8033","0.0006","7.8033","0.0006","90","","90","","90","","475.15","0.06","833","","833","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al K O2 -","- Al K O1.99992 -","- Al8 K8 O15.9994 -","8","0.0416667","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","2.3356","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105207","7.8179","0.0005","7.8179","0.0005","7.8179","0.0005","90","","90","","90","","477.83","0.05","923","","923","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al K O2 -","- Al K O1.99992 -","- Al8 K8 O15.9994 -","8","0.0416667","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.3356","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105208","7.8329","0.0003","7.8329","0.0003","7.8329","0.0003","90","","90","","90","","480.58","0.03","1023","","1023","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al K O2 -","- Al K O2 -","- Al8 K8 O16 -","8","0.0416667","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.3356","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105209","7.67982","0.00019","9.717","0.0003","4.82857","0.00013","96.0388","0.001","106.806","0.0008","96.094","0.001","339.478","0.016","293","","293","","","","","","","","","3","P 1","P 1","1","L-arabinitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C10 H24 O10 -","2","2","PS5016","Derollez, Patrick; Guinet, Yannick; Affouard, Frédéric; Danède, Florence; Carpentier, Laurent; Hédoux, Alain","Structure determination of <small>L</small>-arabinitol by powder X-ray diffraction","Acta Crystallographica Section B","2012","68","4","407","411","10.1107/S0108768112019994","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105210","20.143","0.0011","10.9691","0.0004","8.2747","0.0004","90","","90","","90","","1828.3","0.15","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H12 Br N O -","- C8 H12 Br N O -","- C64 H96 Br8 N8 O8 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0477","0.0225","","","0.0492","0.0525","","","","","","0.896","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105211","5.1194","0.0002","9.0278","0.0002","20.1089","0.0006","90","","90","","90","","929.37","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 I N O -","- C8 H12 I N O -","- C32 H48 I4 N4 O4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0198","0.0175","","","0.035","0.0353","","","","","","0.981","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105212","11.9981","0.0007","7.2291","0.0005","24.6145","0.0013","90","","90","","90","","2135","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B F4 N O2 -","- C8 H14 B F4 N O2 -","- C64 H112 B8 F32 N8 O16 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0751","0.0394","","","0.0855","0.0925","","","","","","0.989","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105213","7.3939","0.0003","25.1222","0.0011","11.6847","0.0004","90","","90.896","0.003","90","","2170.18","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl N O6 -","- C8 H14 Cl N O6 -","- C64 H112 Cl8 N8 O48 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1044","0.05","","","0.1037","0.1138","","","","","","0.911","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105214","11.0446","0.0009","8.0666","0.0005","29.755","0.002","90","","90","","90","","2650.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N O7 P -","- C8 H18 N O7 P -","- C64 H144 N8 O56 P8 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0975","0.0711","","","0.1375","0.1531","","","","","","1.143","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105215","5.0262","0.0001","10.0739","0.0002","21.7126","0.0005","90","","90","","90","","1099.38","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O4 S -","- C9 H15 N O4 S -","- C36 H60 N4 O16 S4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0334","0.0269","","","0.0537","0.0548","","","","","","0.969","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105216","10.4454","0.0002","20.6788","0.0003","10.8374","0.0002","90","","91.198","0.002","90","","2340.35","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N O4 S -","- C10 H17 N O4 S -","- C80 H136 N8 O32 S8 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0607","0.0317","","","0.0658","0.0693","","","","","","0.849","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105217","9.5614","0.0003","9.5543","0.0003","22.7766","0.0007","90","","90","","90","","2080.7","0.11","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N2 O8 S2 -","- C18 H28 N2 O8 S2 -","- C72 H112 N8 O32 S8 -","4","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0481","0.0312","","","0.0724","0.0757","","","","","","0.953","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2105218","7.7244","0.0002","11.1889","0.0002","17.4253","0.0004","90","","90","","90","","1506.03","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0386","0.0319","","","0.0693","0.0725","","","","","","1.049","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105219","7.6261","0.0005","34.974","0.002","10.9159","0.0006","90","","90","","90","","2911.4","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N O5.5 S -","- C14 H18 N O5.5 S -","- C112 H144 N8 O44 S8 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0818","0.0393","","","0.0446","0.0484","","","","","","0.751","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105220","10.8685","0.0003","12.0279","0.0002","11.0849","0.0003","90","","110.752","0.003","90","","1355.06","0.06","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0344","0.0293","","","0.0637","0.0648","","","","","","1.023","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105221","10.8086","0.0003","7.7675","0.0002","16.3408","0.0005","90","","93.829","0.002","90","","1368.84","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0523","0.0346","","","0.0772","0.0804","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105222","10.9819","0.0008","12.2053","0.0006","10.9963","0.0008","90","","111.243","0.008","90","","1373.77","0.17","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 F N O3 -","- C15 H16 F N O3 -","- C60 H64 F4 N4 O12 -","4","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0508","0.0349","","","0.0601","0.0625","","","","","","0.85","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105223","11.2539","0.0011","12.4279","0.001","11.6172","0.0011","90","","116.306","0.012","90","","1456.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C60 H64 Cl4 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0875","0.0488","","","0.0767","0.082","","","","","","0.915","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105224","11.4527","0.0008","12.2496","0.0005","11.6217","0.0008","90","","116.74","0.009","90","","1456.06","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0736","0.0388","","","0.0782","0.0832","","","","","","0.877","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105225","47.614","0.006","5.1616","0.0005","25.552","0.002","90","","96.136","0.011","90","","6243.8","1.1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C240 H256 N32 O80 -","16","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0936","0.0425","","","0.091","0.1031","","","","","","0.842","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105226","11.4897","0.0004","11.4386","0.0003","10.8605","0.0003","90","","107.525","0.004","90","","1361.1","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F N O3 -","- C15 H16 F N O3 -","- C60 H64 F4 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0561","0.0358","","","0.0839","0.0883","","","","","","0.949","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105227","24.856","0.009","8.1013","0.0009","19.464","0.007","90","","133.43","0.06","90","","2846","3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C120 H128 Cl8 N8 O24 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0785","0.0458","","","0.1146","0.1214","","","","","","1.025","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105228","8.1593","0.001","8.7185","0.0009","10.6386","0.0011","85.706","0.008","76.2","0.009","63.787","0.011","658.96","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.054","0.0369","","","0.0822","0.086","","","","","","0.94","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105229","12.8638","0.0003","18.4891","0.0004","12.5939","0.0002","90","","97.301","0.002","90","","2971.05","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0763","0.0435","","","0.102","0.1098","","","","","","0.985","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105230","10.4944","0.0004","11.592","0.0005","12.0885","0.0005","90","","93.465","0.004","90","","1467.89","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C60 H64 N8 O20 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0429","0.033","","","0.082","0.0845","","","","","","1.035","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105231","11.5082","0.0003","11.2844","0.0003","10.9033","0.0003","90","","107.037","0.003","90","","1353.8","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0511","0.0395","","","0.0892","0.0957","","","","","","1.027","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105232","11.9993","0.0019","11.3322","0.0018","10.7542","0.0018","90","","109.754","0.019","90","","1376.3","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F N O3 -","- C15 H16 F N O3 -","- C60 H64 F4 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1071","0.0382","","","0.0567","0.0637","","","","","","0.746","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105233","15.8566","0.0004","17.5993","0.0004","22.0881","0.0003","105.676","0.001","96.763","0.001","99.335","0.001","5770.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C240 H256 Cl16 N16 O48 -","16","8","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1545","0.101","","","0.2413","0.2652","","","","","","1.114","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105234","9.9745","0.0002","15.1624","0.0004","18.6406","0.0004","76.3","0.002","86.48","0.002","84.892","0.002","2725.7","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C120 H136 N8 O32 -","8","4","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0723","0.0364","","","0.0734","0.0794","","","","","","0.885","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105235","11.4797","0.0003","11.3596","0.0002","11.0501","0.0003","90","","104.932","0.002","90","","1392.33","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0471","0.035","","","0.0894","0.0925","","","","","","1.096","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105236","7.0796","0.001","6.1784","0.0014","67.751","0.007","90","","92.518","0.006","90","","2960.6","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C120 H128 N16 O40 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.6889","synchrotron","","0.1182","0.0885","","","0.2664","0.3083","","","","","","1.093","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105237","7.6924","0.0003","5.6856","0.0002","27.9377","0.0008","90","","103.047","0.002","90","","1190.34","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.057","0.0424","","","0.1145","0.1236","","","","","","1.085","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105238","13.3025","0.0002","7.8609","0.0001","11.3441","0.0002","90","","106.174","0.002","90","","1139.3","0.03","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0353","0.0313","","","0.0866","0.0878","","","","","","1.088","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105239","8.8784","0.0004","8.9774","0.0004","9.4687","0.0005","116.911","0.005","97.833","0.004","91.099","0.004","663.9","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 N2 O12 -","- C24 H34 N2 O12 -","- C24 H34 N2 O12 -","1","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0478","0.0332","","","0.0761","0.0787","","","","","","0.958","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105240","11.4936","0.0005","7.5497","0.0003","12.5154","0.0008","90","","99.865","0.005","90","","1069.94","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C40 H64 N4 O16 -","2","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0692","0.0354","","","0.0614","0.0658","","","","","","0.839","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105241","8.6247","0.0003","15.1897","0.0006","8.7588","0.0003","90","","93.826","0.003","90","","1144.9","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 N2 O8 -","- C22 H36 N2 O8 -","- C44 H72 N4 O16 -","2","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0479","0.0385","","","0.0876","0.0919","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105242","21.1097","0.0018","5.9615","0.0004","24.6027","0.0019","90","","105.911","0.008","90","","2977.5","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 N2 O10.5 -","- C28 H43 N2 O10.5 -","- C112 H172 N8 O42 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1409","0.0971","","","0.1642","0.1787","","","","","","1.284","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105243","11.8909","0.0006","7.7956","0.0004","11.9547","0.0006","90","","100.16","0.005","90","","1090.78","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O9 -","- C20 H32 N2 O9 -","- C40 H64 N4 O18 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0446","0.0339","","","0.074","0.0769","","","","","","0.964","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105244","7.636","0.0003","30.0364","0.0013","6.2787","0.0002","90","","90","","90","","1440.07","0.1","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0405","0.0302","","","0.0577","0.0593","","","","","","0.897","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105245","11.6895","0.0003","7.7596","0.0002","12.3238","0.0003","90","","100.013","0.002","90","","1100.81","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O10 -","- C20 H32 N2 O10 -","- C40 H64 N4 O20 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0298","0.0279","","","0.067","0.0681","","","","","","1.045","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105246","7.2647","0.0005","7.9475","0.0006","12.5853","0.001","77.231","0.003","85.33","0.005","79.854","0.005","696.89","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O8 -","- C12 H19 N O8 -","- C24 H38 N2 O16 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0891","0.0578","","","0.1024","0.1128","","","","","","1.104","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105247","8.911","0.0007","8.3625","0.0006","9.6575","0.0008","90","","91.246","0.007","90","","719.49","0.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0703","0.0358","","","0.046","0.0495","","","","","","0.749","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105248","6.4446","0.0003","10.1143","0.0005","12.2128","0.0006","91.239","0.004","99.455","0.004","96.794","0.004","779.05","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.1297","0.0567","","","0.1154","0.1336","","","","","","0.939","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105249","8.1891","0.001","28.5294","0.0013","42.98","0.02","90","","94.896","0.008","90","","10005","5","293","","293","","","","","","","","Pollone mine, Tuscany, Italy","9","P 1 21/n 1","-P 2yn","14","Ag2 As7 Cu1.5 Pb19 S56 Sb16.5","","Sterryite","- Ag1.86 As7.06 Bi0.1 Cu1.73 Hg0.24 Pb19.13 S56 Sb16.47 Tl0.24 -","- Ag1.86 As7.06 Bi0.1 Cu1.73 Hg0.24 Pb19.13 S56 Sb16.47 Tl0.24 -","- Ag7.44 As28.24 Bi0.4 Cu6.92 Hg0.96 Pb76.52 S224 Sb65.88 Tl0.96 -","4","1","BP5041","Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian","Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~","Acta Crystallographica Section B","2012","68","5","480","492","10.1107/S0108768112034027","","","0.71069","MoKα","","0.2043","0.1353","","","0.1641","0.1696","","","","","","3.16","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2105250","8.3965","0.0005","27.954","0.007","43.884","0.013","90","","90.061","0.012","90","","10300","4","293","","293","","","","","","","","Pollone mine, Tuscany, Italy","5","P 1 21/c 1","-P 2ybc","14","","Parasterryite","Parasterryite","- Ag4 As10.23 Pb20.21 S58 Sb13.56 -","- Ag4 As10.23 Pb20.21 S58 Sb13.56 -","- Ag16 As40.92 Pb80.84 S232 Sb54.24 -","4","1","BP5041","Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian","Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~","Acta Crystallographica Section B","2012","68","5","480","492","10.1107/S0108768112034027","","","0.71069","MoKα","","0.1566","0.0661","","","0.1239","0.1643","","","","","","1.35","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2105251","5.7534","0.0001","5.7534","0.0001","46.389","0.001","90","","90","","120","","1329.83","0.04","347.15","","347.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Carbonated calcium hemicarboaluminate","Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate","","- C0.4 Al Ca2 O9.2 -","- C0.4 Al Ca2 O9.2 -","- C2.4 Al6 Ca12 O55.2 -","6","0.166667","EB5017","Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert","Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","5","493","500","10.1107/S010876811203042X","powder diffraction","","0.8264","Synchrotron","","","","","","","","","","6.33","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105252","5.7757","0.0001","5.7757","0.0001","48.812","0.002","90","","90","","120","","1410.15","0.07","297.15","","297.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Calcium hemicarboaluminate","Tetracalcium dialuminium dodecahydroxide hemicarbonate hydroxide n-hydrate","","- C0.25 Al Ca2 O9.25 -","- C0.25 Al Ca2 O9.24998 -","- C1.5 Al6 Ca12 O55.4999 -","6","0.166667","EB5017","Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert","Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","5","493","500","10.1107/S010876811203042X","powder diffraction","","0.8264","Synchrotron","","","","","","","","","","5.233","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105253","21.622","0.004","16.8","0.003","16.317","0.003","90","","119.628","0.004","90","","5152.2","1.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25.5 Gd N4.5 O12 -","- C21 H25.5 Gd N4.5 O12 -","- C168 H204 Gd8 N36 O96 -","8","1","HW5022","Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.","Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate","Acta Crystallographica Section B","2012","68","5","528","535","10.1107/S0108768112032053","","","0.71073","MoKα","","0.024","0.0193","","","0.0484","0.0507","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105254","24.9427","0.0002","16.9411","0.0002","25.2889","0.0002","90","","105.208","0.001","90","","10311.8","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42.35 Gd2 N7 O24.67 -","- C36 H37 Gd2 N7 O24.68 -","- C288 H296 Gd16 N56 O197.44 -","8","1","HW5022","Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.","Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate","Acta Crystallographica Section B","2012","68","5","528","535","10.1107/S0108768112032053","","","0.71073","MoKα","","0.0538","0.0402","","","0.104","0.1139","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105255","14.3239","0.0017","15.3167","0.0018","25.468","0.003","87.994","0.002","85.151","0.002","63.419","0.002","4979.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C76.5 H92.5 Gd4 N15.5 O49.5 -","- C76.5 H88.5 Gd4 N15.5 O49.5 -","- C153 H177 Gd8 N31 O99 -","2","1","HW5022","Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.","Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate","Acta Crystallographica Section B","2012","68","5","528","535","10.1107/S0108768112032053","","","0.71073","MoKα","","0.0576","0.048","","","0.1141","0.1216","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105256","3.9506","0.0012","8.264","0.003","12.045","0.004","78.842","0.004","83.18","0.004","86.99","0.004","382.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5,6-dimethylbenzfurazan 1-oxide, polymorph Z2","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0692","0.0559","","","0.1463","0.1558","","","","","","1.095","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105257","7.3643","0.0009","9.0332","0.0011","11.6675","0.0014","89.264","0.002","83.419","0.002","87.027","0.002","769.99","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5,6-benzfurazan 1-oxide, polymorph Z4","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","2","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0818","0.0486","","","0.1251","0.1396","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105258","9.007","0.0011","11.1331","0.0013","12.9526","0.0015","65.173","0.002","80.629","0.002","79.862","0.002","1154.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5,6-benzfurazan 1-oxide, polymorph Z6","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C48 H48 N12 O12 -","6","3","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0762","0.0515","","","0.1429","0.1676","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105259","9.0136","0.0018","13.064","0.003","16.567","0.003","95.055","0.004","97.969","0.004","90.742","0.004","1923.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5,6-benzfurazan 1-oxide - polymorph Z10","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C80 H80 N20 O20 -","10","5","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.1925","0.1143","","","0.2661","0.3381","","","","","","0.969","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105260","11.744","0.004","7.601","0.003","18.102","0.006","90","","90","","90","","1615.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,5-dimethylphthalic anhydride","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","1","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0347","0.0333","","","0.0972","0.0986","","","","","","1.055","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105261","9.6452","0.0002","9.6452","0.0002","6.7636","0.0002","90","","90","","120","","544.92","0.02","293","2","293","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0313","0.0224","","","0.0525","0.0561","","","","","","1.077","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105262","9.6434","0.0002","9.6434","0.0002","6.7643","0.0002","90","","90","","120","","544.77","0.02","293","2","293","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0179","0.0171","","","0.045","0.0458","","","","","","1.108","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105263","9.643","0.0002","9.643","0.0002","6.762","0.0001","90","","90","","120","","544.54","0.018","293","2","293","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0176","0.0173","","","0.0449","0.0451","","","","","","1.183","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105264","9.6414","0.0002","9.6414","0.0002","6.7631","0.0002","90","","90","","120","","544.45","0.02","293","2","293","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.018","0.0173","","","0.0514","0.052","","","","","","1.119","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105265","9.6368","0.0002","9.6368","0.0002","6.7482","0.0002","90","","90","","120","","542.73","0.02","100","2","100","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0213","0.0161","","","0.0359","0.038","","","","","","1.098","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105266","9.6341","0.0001","9.6341","0.0001","6.7445","0.0002","90","","90","","120","","542.129","0.018","100","2","100","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0229","0.0228","","","0.0604","0.0604","","","","","","1.295","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105267","9.634","0.0002","9.634","0.0002","6.744","0.0003","90","","90","","120","","542.08","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0291","0.0289","","","0.0811","0.0812","","","","","","1.37","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105268","9.6343","0.0001","9.6343","0.0001","6.743","0.0001","90","","90","","120","","542.031","0.011","100","2","100","2","","","","","","","synthesis as described","4","P 63/m","-P 6c","176","chlorapatite","chlorapatite","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0161","0.0146","","","0.0357","0.0365","","","","","","1.048","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105269","9.641","0.0002","6.762","0.0003","19.285","0.0006","90","","119.984","0.001","90","","1088.97","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0364","0.023","","","0.0663","0.0725","","","","","","1.103","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105270","9.643","0.0003","6.7641","0.0002","19.2882","0.0006","90","","120.003","0.001","90","","1089.51","0.06","293","2","298","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0369","0.0232","","","0.0666","0.0755","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105271","9.6434","0.0003","6.7635","0.0002","19.2846","0.0006","90","","119.965","0.002","90","","1089.67","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.1022","0.0387","","","0.0916","0.1093","","","","","","1.016","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105272","9.6397","0.0004","6.7657","0.0003","19.2731","0.0009","90","","119.984","0.003","90","","1088.75","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0426","0.0218","","","0.0675","0.0763","","","","","","0.895","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105273","9.637","0.0003","6.7479","0.0002","19.2702","0.0007","90","","120.002","0.001","90","","1085.22","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0742","0.0293","","","0.0664","0.0846","","","","","","0.942","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105274","9.6307","0.0004","6.7425","0.0003","19.2602","0.0007","90","","119.969","0.001","90","","1083.44","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0492","0.0385","","","0.0908","0.0952","","","","","","1.148","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105275","9.6344","0.0003","6.7442","0.0002","19.2656","0.0005","90","","119.994","0.001","90","","1084.16","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0489","0.0384","","","0.0969","0.1026","","","","","","1.146","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105276","9.6307","0.0004","6.7425","0.0003","19.2602","0.0007","90","","119.969","0.001","90","","1083.44","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0566","0.0356","","","0.0841","0.0928","","","","","","1.157","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105277","9.5377","0.0003","9.5377","0.0003","6.7999","0.0005","90","","90","","120","","535.7","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.54 H0.46 O12.46 P3 -","- Ca5 Cl0.544 H0.456 O12.455 P3 -","- Ca10 Cl1.088 H0.912 O24.91 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0288","0.0269","","","0.0634","0.0644","","","","","","1.176","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105278","9.5439","0.0002","9.5439","0.0002","6.8174","0.0003","90","","90","","120","","537.78","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.54 H0.46 O12.46 P3 -","- Ca5 Cl0.54 H0.46 O12.46 P3 -","- Ca10 Cl1.08 H0.92 O24.92 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0304","0.028","","","0.0677","0.0689","","","","","","1.203","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105279","9.4815","0.0002","9.4815","0.0002","6.82","0.0003","90","","90","","120","","530.97","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.44 H0.56 O12.56 P3 -","- Ca5 Cl0.44 H0.561 O12.561 P3 -","- Ca10 Cl0.88 H1.122 O25.122 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0355","0.0337","","","0.074","0.0748","","","","","","1.126","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105280","9.4894","0.0004","9.4894","0.0004","6.8612","0.0007","90","","90","","120","","535.07","0.06","293","2","293","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.44 H0.56 O12.56 P3 -","- Ca5 Cl0.44 H0.56 O12.56 P3 -","- Ca10 Cl0.88 H1.12 O25.12 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0328","0.0316","","","0.0755","0.0762","","","","","","0.963","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105281","9.431","0.005","9.431","0.005","6.86","0.005","90","0.005","90","0.005","120","0.005","528.4","0.6","100","2","100","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.29 H0.71 O12.71 P3 -","- Ca5 Cl0.286 H0.712 O12.716 P3 -","- Ca10 Cl0.572 H1.424 O25.432 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0405","0.0374","","","0.084","0.0852","","","","","","1.217","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105282","9.4284","0.0008","9.4284","0.0008","6.8756","0.0007","90","","90","","120","","529.32","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.28 H0.72 O12.71 P3 -","- Ca5 Cl0.28 H0.72 O12.72 P3 -","- Ca10 Cl0.56 H1.44 O25.44 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0377","0.0328","","","0.0775","0.0808","","","","","","1.065","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105283","9.4139","0.0002","9.4139","0.0002","6.8679","0.0002","90","","90","","120","","527.1","0.02","100","2","100","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.18 H0.82 O12.82 P3 -","- Ca5 Cl0.18 H0.818 O12.822 P3 -","- Ca10 Cl0.36 H1.636 O25.644 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0415","0.0385","","","0.0845","0.0856","","","","","","1.133","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105284","9.423","0.0002","9.423","0.0002","6.8794","0.0003","90","","90","","120","","529","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 63/m","-P 6c","176","","","","- Ca5 Cl0.18 H0.82 O12.82 P3 -","- Ca5 Cl0.18 H0.82 O12.83 P3 -","- Ca10 Cl0.36 H1.64 O25.66 P6 -","2","0.166667","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0304","0.0291","","","0.0677","0.0683","","","","","","1.154","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105285","12.8348","0.0006","9.0961","0.0004","12.8365","0.0005","90","","107.434","0.002","90","","1429.78","0.11","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- Ca6 O16 P4 -","- Ca6 O16.001 P4 -","- Ca24 O64.004 P16 -","4","1","ZB5021","García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco","Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~<i>x~</i>(OH)~1{-~<i>x</i>}) ‒ a deep insight","Acta Crystallographica Section B","2012","68","5","467","479","10.1107/S0108768112019520","","x-ray","0.7107","MoKα","","0.0592","0.0418","","","0.0935","0.1008","","","","","","1.062","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105286","20.1095","0.0006","7.8045","0.0002","11.4938","0.0004","90","","90","","90","","1803.89","0.09","223","2","223","2","","","","","","","","4","P m n 21","P 2ac -2","31","","potassium oxofluoroniobate","","- F28 K10 Nb6 O6 -","- F9.33333 K3.33333 Nb2 O2 -","- F56 K20 Nb12 O12 -","6","1.5","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0318","0.0314","","","0.0922","0.0925","","","","","","1.18","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105287","20.3757","0.0004","20.3757","0.0004","8.0851","0.0003","90","","90","","120","","2906.97","0.13","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","ammonium oxofluoroniobate","","- F28 H40 N10 Nb6 O6 -","- F9.33333 H13.3333 N3.33333 Nb2 O2 -","- F84 H120 N30 Nb18 O18 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0886","0.0819","","","0.2241","0.224","","","","","","1.082","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2105288","20.4958","0.0004","20.4958","0.0004","8.1385","0.0002","90","","90","","120","","2960.77","0.11","223","2","223","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","rubidium oxofluorodiniobate","","- Cl F83 Nb18 O18 Rb30 -","- Cl0.111111 F9.22222 Nb2 O2 Rb3.33333 -","- Cl F83 Nb18 O18 Rb30 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0483","0.0386","","","0.1045","0.104","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105289","20.2744","0.0002","20.2744","0.0002","8.0811","0.0001","90","","90","","120","","2876.72","0.05","243","2","243","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","rubidium oxofluoromolybdate","","- F22 Mo6 O12 Rb10 -","- F9.33333 Mo2 O2 Rb3.33333 -","- F84 Mo18 O18 Rb30 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0524","0.0424","","","0.1194","0.119","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105290","20.1457","0.0007","20.1457","0.0007","8.0951","0.0005","90","","90","","120","","2845.2","0.2","203","2","203","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","rubidium oxofluorotungstate","","- F22 O12 Rb10 W6 -","- F9.33333 O2 Rb3.33333 W2 -","- F84 O18 Rb30 W18 -","9","0.75","BP5045","Udovenko, Anatoly A.; Laptash, Natalia M.","Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound","Acta Crystallographica Section B","2012","68","6","602","609","10.1107/S0108768112042577","","","0.71073","MoKα","","0.0704","0.0566","","","0.1498","0.15","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105291","13.6825","0.0003","10.0465","0.0002","13.777","0.0004","90","","115.166","0.003","90","","1714.04","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis (2,6-pyridinedicarboxylato)nickelate(II) trihydrate","","- C14 H14 N2 Ni O11 -","- C14 H14 N2 Ni O11 -","- C56 H56 N8 Ni4 O44 -","4","1","BP5046","Sanotra, Sumit; Gupta, Rimpy; Sheikh, Haq Nawaz; Kalsotra, Bansi Lal; Gupta, Vivek K.; Rajnikant","Hydrothermal synthesis and crystal structure of novel bis(6-carboxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II) trihydrate, Ni(Hpydc)~2~·3H~2~O","Acta Crystallographica Section B","2012","68","6","619","624","10.1107/S0108768112043972","","","0.71073","MoKα","","0.0415","0.0323","","","0.0811","0.0878","","","","","","1.046","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105292","7.0862","0.0006","10.0235","0.0008","13.2437","0.0011","90","","90","","90","","940.68","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Cl2 Mn N O3 -","- C5 H11 Cl2 Mn N O3 -","- C20 H44 Cl8 Mn4 N4 O12 -","4","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0404","0.0319","","","0.0693","0.0737","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105293","8.286","0.002","8.256","0.002","9.387","0.003","90","","92.172","0.004","90","","641.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H17 Br2 Mn N O4 -","- C7 H17 Br2 Mn N O4 -","- C14 H34 Br4 Mn2 N2 O8 -","2","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0416","0.0351","","","0.062","0.0643","","","","","","1.001","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105294","8.1264","0.0018","11.867","0.003","13.727","0.003","90","","90","","90","","1323.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 I2 Mn N O5 -","- C5 H15 I2 Mn N O5 -","- C20 H60 I8 Mn4 N4 O20 -","4","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0402","0.0334","","","0.0737","0.0778","","","","","","1.032","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105295","9.124","0.003","9.034","0.003","10.001","0.003","90","","107.704","0.004","90","","785.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl2 Mn N2 O6 -","- C10 H22 Cl2 Mn N2 O6 -","- C20 H44 Cl4 Mn2 N4 O12 -","2","0.5","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0327","0.0278","","","0.0687","0.0714","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105296","9.3156","0.0012","9.1319","0.0012","10.0593","0.0013","90","","106.904","0.002","90","","818.76","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Br2 Mn N2 O6 -","- C10 H22 Br2 Mn N2 O6 -","- C20 H44 Br4 Mn2 N4 O12 -","2","0.5","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0605","0.0456","","","0.0829","0.0884","","","","","","1.049","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105297","9.664","0.001","9.4026","0.001","10.0228","0.0011","90","","104.454","0.002","90","","881.91","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 I2 Mn N2 O6 -","- C10 H22 I2 Mn N2 O6 -","- C20 H44 I4 Mn2 N4 O12 -","2","0.5","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0436","0.0314","","","0.0566","0.0606","","","","","","1.012","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105298","8.5755","0.0003","10.1627","0.0003","14.2676","0.0002","90","","95.249","0.002","90","","1238.21","0.06","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","coumarin-102","8-methyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo(de)anthracen-10-one","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","GW5019","Bibila Mayaya Bisseyou, Yvon; Bouhmaida, Nouhza; Guillot, Benoit; Lecomte, Claude; Lugan, Noel; Ghermani, Noureddine; Jelsch, Christian","Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye","Acta Crystallographica Section B","2012","68","6","646","660","10.1107/S0108768112042826","","","0.71073","MoKα","","0.0368","0.02","","","0.016","0.0174","","","","","","1.908","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105299","7.842","0.003","4.577","0.003","8.56","0.003","90","","100.04","0.02","90","","302.5","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","potassium hydrogen phosphoglycolate","","","- C2 H4 K O6 P -","- C2 H4 K O6 P -","- C4 H8 K2 O12 P2 -","2","1","PI5011","Mermer, Adrian; Starynowicz, Przemysław","Charge-density distribution in potassium dihydrogen phosphoglycolate ‒ a comparison of phosphate and phosphonate groups","Acta Crystallographica Section B","2012","68","6","625","635","10.1107/S0108768112040724","","","0.71073","MoKα","","0.042","0.022","","","","0.037","","","","","","1.083","","","","has coordinates","201208","2020-10-21","18:00:00",""
"2105300","10.418","0.0003","13.4413","0.0006","13.9207","0.0006","87.564","0.0019","77.298","0.002","88.101","0.003","1899.35","0.13","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H24.5 B2 N12 O1.25 -","- C48 H24.5 B2 N12 O1.25 -","- C96 H49 B4 N24 O2.5 -","2","1","RY5043","Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P.","The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms","Acta Crystallographica Section B","2012","68","6","636","645","10.1107/S0108768112037184","","","0.71073","MoKα","","0.1864","0.0666","","","0.1535","0.2136","","","","","","0.955","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105301","11.3894","0.0003","13.2623","0.0003","17.6618","0.0006","78.347","0.0016","85.616","0.0013","76.74","0.0017","2541.89","0.13","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 B2 Cl4 N12 O -","- C60 H32 B2 Cl4 N12 O -","- C120 H64 B4 Cl8 N24 O2 -","2","1","RY5043","Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P.","The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms","Acta Crystallographica Section B","2012","68","6","636","645","10.1107/S0108768112037184","","","0.71073","MoKα","","0.1671","0.0848","","","0.1757","0.217","","","","","","1.012","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105302","25.6932","0.0018","8.3375","0.0005","20.886","0.0016","90","","124.401","0.003","90","","3691.6","0.5","147","1","147","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H24 B2 N12 O -","- C48 H24 B2 N12 O -","- C192 H96 B8 N48 O4 -","4","0.5","RY5043","Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P.","The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms","Acta Crystallographica Section B","2012","68","6","636","645","10.1107/S0108768112037184","","","0.71073","MoKα","","0.1491","0.0881","","","0.1972","0.2286","","","","","","1.085","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105303","8.9004","0.0005","37.195","0.0017","11.6645","0.0006","90","","104.005","0.003","90","","3746.8","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H32 N4 O0.5 S3 -","- C48 H32 N4 O0.5 S3 -","- C192 H128 N16 O2 S12 -","4","2","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0649","0.0564","","","0.0696","0.0708","","","","","","2.27","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105304","8.8595","0.0007","11.5099","0.0009","21.2526","0.0018","103.26","0.007","99.338","0.006","101.444","0.004","2017.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H34 N4 S3 -","- C52 H34 N4 S3 -","- C104 H68 N8 S6 -","2","1","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0657","0.0399","","","0.0422","0.044","","","","","","1.69","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105305","8.9068","0.0017","11.651","0.002","21.201","0.004","100.671","0.007","100.792","0.007","103.193","0.007","2043.5","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H36 N4 S3 -","- C53 H36 N4 S3 -","- C106 H72 N8 S6 -","2","1","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0951","0.0449","","","0.0454","0.0499","","","","","","1.29","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105306","12.5233","0.0004","11.2845","0.0004","29.4786","0.001","90","","94.1313","0.0018","90","","4155.1","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 N4 O3 S3 -","- C52 H40 N4 O3 S3 -","- C208 H160 N16 O12 S12 -","4","1","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0821","0.0447","","","0.0503","0.052","","","","","","2.18","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105307","12.6014","0.0005","11.481","0.0004","30.2953","0.0012","90","","105.704","0.003","90","","4219.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H37 N4 S3 -","- C55 H37 N4 S3 -","- C220 H148 N16 S12 -","4","1","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.1346","0.1045","","","0.13","0.1314","","","","","","4.46","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105308","15.3042","0.0003","10.0019","0.0002","47.6862","0.001","90","","91.7802","0.0012","90","","7295.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H28 Cl D N4 S3 -","- C46.5 H28 Cl D N4 S3 -","- C372 H224 Cl8 D8 N32 S24 -","8","2","RY5046","Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes","Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory","Acta Crystallographica Section B","2012","68","6","667","676","10.1107/S0108768112039651","","","0.71073","MoKα","","0.0535","0.0371","","","0.0411","0.0431","","","","","","1.96","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2233071","5.6929","0.001","7.7355","0.0014","8.6102","0.0015","67.233","0.002","80.755","0.002","69.837","0.002","328.04","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(4<i>H</i>-1,2,4-Triazol-4-yl)pyrimidine","","- C6 H5 N5 -","- C6 H5 N5 -","- C12 H10 N10 -","2","1","AA2030","Wang, Qian; Wang, Sheng; Wang, Yuan Yuan; Wang, Ying","2-(4<i>H</i>-1,2,4-Triazol-4-yl)pyrimidine","Acta Crystallographica Section E","2012","68","1","o53","","10.1107/S1600536811051968","","","0.71073","MoKα","","0.0483","0.0346","","","0.0899","0.1013","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233072","7.0222","0.0008","7.7313","0.0009","10.5927","0.0012","108.473","0.01","97.108","0.009","90.394","0.009","540.61","0.11","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","1,2-Bis(dibromomethyl)benzene","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C16 H12 Br8 -","2","1","AA2031","Fang, Sin-Kai; Lin, Hong-Yi; Chen, Kew-Yu","1,2-Bis(dibromomethyl)benzene","Acta Crystallographica Section E","2012","68","1","o5","","10.1107/S1600536811050616","","","0.71073","MoKα","","0.1821","0.0907","","","0.2136","0.2584","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233073","14.232","0.003","14.232","0.003","17.615","0.004","90","","90","","90","","3567.9","1.3","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","20,23,26,29,32,35,38,41-octaoxa-5,9,13- triazapentacyclo[15.14.10.1^3,30^.1^7,11^.1^15,19^]tetratetraconta- 1,3(42),7,9,11(44),15(43),16,18,30-nonaene-6,12-dione acetone monosolvate","","- C36 H45 N3 O11 -","- C36 H45 N3 O11 -","- C144 H180 N12 O44 -","4","1","AA2033","Pan, Shaowu; Yang, Dengke; Yang, Yu; Jiang, Lasheng","20,23,26,29,32,35,38,41-Octaoxa-5,9,13-triazapentacyclo[15.14.10.1^3,30^.1^7,11^.1^15,19^]tetratetraconta-1,3(42),7,9,11(44),15(43),16,18,30-nonaene-6,12-dione acetone monosolvate","Acta Crystallographica Section E","2012","68","1","o107","","10.1107/S1600536811051877","","","0.71073","MoKα","","0.104","0.0557","","","0.1409","0.1721","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233074","5.292","0.0011","10.689","0.002","12.732","0.003","95.45","0.03","92.76","0.03","96.84","0.03","710.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Hexyl (<i>E</i>)-3-(3,4-dihydroxyphenyl)acrylate","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","AA2034","Wang, Jun; Gu, Shuang-Shuang; Li, Jing; Wu, Fu-An","Hexyl (<i>E</i>)-3-(3,4-dihydroxyphenyl)acrylate","Acta Crystallographica Section E","2012","68","1","o78","","10.1107/S1600536811051671","","","0.71073","MoKα","","0.1112","0.061","","","0.1469","0.178","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233075","12.328","0.003","12.787","0.003","13.139","0.003","90","","110.16","0.03","90","","1944.3","0.9","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","5-(3-Chlorophenylsulfanyl)-1-methyl-3-trifluoromethyl-1<i>H</i>-pyrazole-4- carbaldehyde <i>O</i>-[(2-chloro-1,3-thiazol-5-yl)methyl]oxime","","- C16 H11 Cl2 F3 N4 O S2 -","- C16 H11 Cl2 F3 N4 O S2 -","- C64 H44 Cl8 F12 N16 O4 S8 -","4","1","AA2035","Dai, Hong; Li, Shuang; Luo, Kun-Peng; Fang, Jian-Xin; Shi, Yu-Jun","5-(3-Chlorophenylsulfanyl)-1-methyl-3-trifluoromethyl-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-[(2-chloro-1,3-thiazol-5-yl)methyl]oxime","Acta Crystallographica Section E","2012","68","1","o155","","10.1107/S160053681105358X","","","0.71073","MoKα","","0.1045","0.0878","","","0.2292","0.2725","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233076","7.4689","0.0003","9.9449","0.0004","10.0653","0.0004","98.415","0.002","102.146","0.002","110.341","0.003","665.38","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","","- C13 H13 Br O3 S -","- C13 H13 Br O3 S -","- C26 H26 Br2 O6 S2 -","2","1","BG2430","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","1","o58","","10.1107/S1600536811052160","","","0.71073","MoKα","","0.0296","0.0244","","","0.0615","0.0636","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233077","33.111","0.008","3.8413","0.0007","25.22","0.006","90","","115.995","0.002","90","","2883.2","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea","1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea","","- C14 H9 Cl3 N2 O S -","- C14 H9 Cl3 N2 O S -","- C112 H72 Cl24 N16 O8 S8 -","8","1","BG2439","Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin; Imtiaz-ud-Din","1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","1","o119","","10.1107/S1600536811052780","","","0.7107","MoKα","","0.0472","0.036","","","0.0793","0.0844","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233078","8.419","0.0017","9.265","0.0019","11.944","0.002","69.77","0.03","76.74","0.03","66.1","0.03","794.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-<i>N</i>-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- 1<i>H</i>-pyrazol-5-yl}acetamide","","- C13 H6 Cl3 F3 N4 O -","- C13 H6 Cl3 F3 N4 O -","- C26 H12 Cl6 F6 N8 O2 -","2","1","BH2393","Zhang, Jian-qiang; He, Qiu; Jiang, Qiang-hua; Mu, Hai-pin; Wan, Rong","2-Chloro-<i>N</i>-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}acetamide","Acta Crystallographica Section E","2012","68","1","o104","","10.1107/S1600536811052743","","","0.71073","MoKα","","0.0686","0.0527","","","0.1405","0.1553","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233079","10.4356","0.0006","10.719","0.0008","11.2908","0.0009","92.041","0.006","98.24","0.005","100.87","0.005","1224.96","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ~3~-<i>N</i>'-oxidopyridine-2-carboximidamidato(2-)]bis[μ~2~-<i>N</i>'- oxidopyridine-2-carboximidamidato(1-)]tetrapyridinetetranickel(II) dinitrate","","- C44 H42 N18 Ni4 O10 -","- C44 H42 N18 Ni4 O10 -","- C44 H42 N18 Ni4 O10 -","1","0.5","BH2397","Deng, Xiao-Hui; Ran, Jing-Wen","Bis[μ~3~-<i>N</i>'-oxidopyridine-2-carboximidamidato(2{-})]bis[μ~2~-<i>N</i>'-oxidopyridine-2-carboximidamidato(1{-})]tetrapyridinetetranickel(II) dinitrate","Acta Crystallographica Section E","2012","68","1","m40","","10.1107/S1600536811052524","","","0.71073","MoKα","","0.0624","0.0408","","","0.0888","0.1","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233080","19.7122","0.0004","19.7122","0.0004","7.1738","0.0002","90","","90","","90","","2787.53","0.11","294","2","294","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","<i>N</i>-[2-(4-Bromobenzoyl)ethyl]isopropylaminium chloride","","- C12 H17 Br Cl N O -","- C12 H17 Br Cl N O -","- C96 H136 Br8 Cl8 N8 O8 -","8","1","BH2400","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Mete, Ebru; Sahin, Ertan","<i>N</i>-[2-(4-Bromobenzoyl)ethyl]isopropylaminium chloride","Acta Crystallographica Section E","2012","68","1","o71","","10.1107/S1600536811052640","","","0.71073","MoKα","","0.1359","0.0761","","","0.1539","0.1805","","","","","","1.068","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233081","11.9209","0.0008","17.9387","0.001","9.368","0.0005","90","","91.277","0.005","90","","2002.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-4-azidobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>- dimethylformamide-κ<i>O</i>)copper(II)]","","- C34 H30 Cu2 N14 O10 -","- C34 H30 Cu2 N14 O10 -","- C68 H60 Cu4 N28 O20 -","2","0.5","BH2402","Wang, Aidong","Tetrakis(μ-4-azidobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2012","68","1","m43","","10.1107/S1600536811050999","","","0.71073","MoKα","","0.038","0.0331","","","0.0872","0.0911","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233082","8.783","0.0003","9.7262","0.0003","9.9157","0.0003","66.164","0.002","72.83","0.002","77.926","0.002","736.35","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(2-carboxyethyl)-1,3-dioxoisoindoline-5,6-dicarboxylic acid methanol monosolvate","","- C14 H13 N O9 -","- C14 H13 N O9 -","- C28 H26 N2 O18 -","2","1","BH2403","Khorasani, Sanaz; Fernandes, Manuel A.","2-(2-Carboxyethyl)-1,3-dioxoisoindoline-5,6-dicarboxylic acid methanol monosolvate","Acta Crystallographica Section E","2012","68","1","o121","","10.1107/S1600536811052755","","","0.71073","MoKα","","0.0783","0.0416","","","0.0829","0.0934","","","","","","0.894","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233083","8.3428","0.0017","10.502","0.002","11.742","0.002","90","","105.81","0.03","90","","989.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(trimethylammonium) naphthalene-1,5-disulfonate","","- C16 H26 N2 O6 S2 -","- C16 H26 N2 O6 S2 -","- C32 H52 N4 O12 S4 -","2","0.5","BH2404","Jin, Yu","Bis(trimethylammonium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","1","o90","","10.1107/S1600536811052718","","","0.71073","MoKα","","0.0464","0.0407","","","0.1054","0.1088","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233084","7.5839","0.0002","10.2443","0.0003","10.4651","0.0003","79.424","0.001","75.652","0.001","80.361","0.001","767.94","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Fluorophenylsulfonyl)-5-iodo-2,7-dimethyl-1-benzofuran","","- C16 H12 F I O3 S -","- C16 H12 F I O3 S -","- C32 H24 F2 I2 O6 S2 -","2","1","BH2405","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-(4-Fluorophenylsulfonyl)-5-iodo-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","1","o96","","10.1107/S1600536811052792","","","0.71073","MoKα","","0.0236","0.0222","","","0.0563","0.0572","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233085","8.032","0.006","7.372","0.005","14.475","0.01","90","","93.533","0.007","90","","855.5","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-3-Chloro-<i>N</i>-[(<i>Z</i>)-3-(3-chloro-2-methylphenylimino)butan- 2-ylidene]-2-methylaniline","","- C18 H18 Cl2 N2 -","- C18 H18 Cl2 N2 -","- C36 H36 Cl4 N4 -","2","0.5","BQ2319","Yuan, Jianchao; Xu, Weibing; Mei, Tongjian; Liu, Yufeng; Wang, Xuehu","(<i>Z</i>)-3-Chloro-<i>N</i>-[(<i>Z</i>)-3-(3-chloro-2-methylphenylimino)butan-2-ylidene]-2-methylaniline","Acta Crystallographica Section E","2012","68","1","o62","","10.1107/S1600536811052044","","","0.71073","MoKα","","0.0569","0.0391","","","0.0965","0.1145","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233086","8.1082","0.0008","19.5189","0.0017","9.2943","0.0009","90","","111.957","0.011","90","","1364.2","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(2,3-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","BQ2325","Rodrigues, Vinola Z.; Kameníček, Jiří; Gowda, B. Thimme; Kožíšek, Jozef","4-Chloro-<i>N</i>-(2,3-dimethylphenyl)benzamide","Acta Crystallographica Section E","2012","68","1","o202","","10.1107/S1600536811053256","","","0.71073","MoKα","","0.0781","0.049","","","0.1279","0.1452","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233087","8.2114","0.0016","8.891","0.0018","9.0105","0.0018","66.188","0.004","77.23","0.004","66.885","0.004","551.99","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis(acridine-κ<i>N</i>)dichloridopalladium(II)","","- C26 H18 Cl2 N2 Pd -","- C26 H18 Cl2 N2 Pd -","- C26 H18 Cl2 N2 Pd -","1","0.5","BQ2326","Ha, Kwang","<i>trans</i>-Bis(acridine-κ<i>N</i>)dichloridopalladium(II)","Acta Crystallographica Section E","2012","68","1","m54","","10.1107/S1600536811053335","","","0.71073","MoKα","","0.0827","0.0588","","","0.0947","0.107","","","","","","0.981","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233088","3.9681","0.0002","14.3029","0.0003","19.21","0.0005","90","","90","","90","","1090.27","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Furan-2-ylmethoxy)benzene-1,2-dicarbonitrile","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C52 H32 N8 O8 -","4","1","BQ2327","Tuncer, Hülya; Görgülü, Ahmet Orhan; Hökelek, Tuncer","4-(Furan-2-ylmethoxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","1","o153","","10.1107/S1600536811053669","","","0.71073","MoKα","","0.0937","0.048","","","0.1006","0.1413","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233089","16.886","0.003","7.6022","0.0015","18.07","0.004","90","","90","","90","","2319.7","0.8","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]","","- C12 H22 Mn2 N2 O18 S2 -","- C12 H22 Mn2 N2 O18 S2 -","- C48 H88 Mn8 N8 O72 S8 -","4","0.5","BQ2328","Rasekh, Hossein Ali; Bahrami, Bohlul","Bis(μ-pyridinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]","Acta Crystallographica Section E","2012","68","1","m88","","10.1107/S1600536811054596","","","0.71073","MoKα","","0.0459","0.0278","","","0.0508","0.0753","","","","","","1.264","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233090","11.259","0.004","12.815","0.004","8.565","0.003","90","","100.382","0.005","90","","1215.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3a,11b-Dihydroxy-3a,11b-dihydro-1<i>H</i>-imidazo[4,5- <i>f</i>][1,10]phenanthroline-2(3<i>H</i>)-thione","2,6-dihydroxy-11,14-diazatetracyclo[11.4.0.0^2,6^.0^7,12^]heptadeca- 1(13),7(12),8,10,14,16-hexaene-4-thione","","- C13 H10 N4 O2 S -","- C13 H10 N4 O2 S -","- C52 H40 N16 O8 S4 -","4","1","BQ2329","Wang, Hua; Mei, Peng; Chu, Wen-Yi; Sun, Zhi-Zhong; Hou, Yan-Jun","3a,11b-Dihydroxy-3a,11b-dihydro-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","1","o208","","10.1107/S1600536811053967","","","0.71073","MoKα","","0.1623","0.0612","","","0.1207","0.1613","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233091","8.9242","0.0018","11.461","0.002","9.889","0.002","90","","110.77","0.03","90","","945.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5-Methoxy-1<i>H</i>-indol-3-yl)acetonitrile","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","BT5708","Ge, Yu-Hua; Li, Jin-Feng; Luo, Yang-Hui","(5-Methoxy-1<i>H</i>-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o66","","10.1107/S1600536811051762","","","0.71073","MoKα","","0.1224","0.0635","","","0.1376","0.1622","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233092","6.0708","0.0004","24.2124","0.0015","7.4232","0.0006","90","","100.508","0.007","90","","1072.83","0.13","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2,3,4-Trifluorophenyl)pyrrolidine-1-carboxamide","","- C11 H11 F3 N2 O -","- C11 H11 F3 N2 O -","- C44 H44 F12 N8 O4 -","4","1","BT5716","Pei, Shuchen; Li, Jie; Qu, Boyi; Hai, Li; Wu, Yong","<i>N</i>-(2,3,4-Trifluorophenyl)pyrrolidine-1-carboxamide","Acta Crystallographica Section E","2012","68","1","o12","","10.1107/S1600536811051385","","","0.7107","MoKα","","0.0899","0.0544","","","0.1285","0.1508","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233093","13.6978","0.0011","16.0688","0.0012","9.6354","0.0008","90","","92.696","0.001","90","","2118.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2',6'-Bis(4-carboxyphenyl)-4,4'-bipyridin-1-ium nitrate hydrate","","- C24 H17.5 N3 O7.25 -","- C24 H17.5 N3 O7.25 -","- C96 H70 N12 O29 -","4","1","BT5723","Li, Yaping; Zang, Hu; Su, Guanfang","2',6'-Bis(4-carboxyphenyl)-4,4'-bipyridin-1-ium nitrate 0.25-hydrate","Acta Crystallographica Section E","2012","68","1","o43","","10.1107/S1600536811051506","","","0.71073","MoKα","","0.0861","0.05","","","0.1265","0.1503","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233094","8.2841","0.0004","13.8442","0.0007","17.8243","0.0009","90","","97.822","0.001","90","","2025.19","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Bis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)diiodidomanganese(II)","","- C16 H12 I2 Mn N8 -","- C16 H12 I2 Mn N8 -","- C64 H48 I8 Mn4 N32 -","4","0.5","BT5729","Ha, Kwang","<i>cis</i>-Bis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)diiodidomanganese(II)","Acta Crystallographica Section E","2012","68","1","m1","","10.1107/S160053681105080X","","","0.71073","MoKα","","0.0447","0.0265","","","0.0512","0.0644","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233095","6.9853","0.0003","17.5355","0.0006","8.4092","0.0004","90","","93.017","0.003","90","","1028.62","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(6-methyl-2,2,4- trioxo-3,4-dihydro-1,2λ^6^,3-oxathiazin-3-ido-κ<i>N</i>)copper(II)","","- C12 H24 Cu N6 O8 S2 -","- C12 H24 Cu N6 O8 S2 -","- C24 H48 Cu2 N12 O16 S4 -","2","0.5","BT5731","Dege, Necmi; Demirtaş, Güneş; Içbudak, Hasan","<i>trans</i>-Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2λ^6^,3-oxathiazin-3-ido-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2012","68","1","m47","m48","10.1107/S1600536811051658","","","0.71073","MoKα","","0.0277","0.0244","","","0.0637","0.0649","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233096","8.8989","0.0009","9.1711","0.001","14.0804","0.0015","77.023","0.002","86.926","0.002","84.809","0.002","1114.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^]silver hexafluoridophosphate","","- C20 H12 Ag F6 N8 P -","- C20 H12 Ag F6 N8 P -","- C40 H24 Ag2 F12 N16 P2 -","2","1","BT5734","Wang, Zi Jia","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^]silver hexafluoridophosphate","Acta Crystallographica Section E","2012","68","1","m5","","10.1107/S1600536811051403","","","0.71073","MoKα","","0.0399","0.0318","","","0.084","0.0903","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233097","10.4543","0.0003","14.6018","0.0004","14.7266","0.0004","90","","104.043","0.002","90","","2180.85","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-4'-(4-methylphenyl)dispiro[1-benzopyran-3(4<i>H</i>),3'- pyrrolidine-2',3''-indoline]-2,2''-dione","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","BT5735","Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","1'-Methyl-4'-(4-methylphenyl)dispiro[1-benzopyran-3(4<i>H</i>),3'-pyrrolidine-2',3''-indoline]-2,2''-dione","Acta Crystallographica Section E","2012","68","1","o11","","10.1107/S1600536811051440","","","0.71073","MoKα","","0.0858","0.0503","","","0.1288","0.1529","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233098","22.687","0.002","5.0673","0.0004","12.755","0.001","90","","100.04","0.01","90","","1443.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzoyl-4-nitrobenzenesulfonamide monohydrate","","- C13 H12 N2 O6 S -","- C13 H12 N2 O6 S -","- C52 H48 N8 O24 S4 -","4","1","BT5737","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Vidya, V. M.","<i>N</i>-Benzoyl-4-nitrobenzenesulfonamide monohydrate","Acta Crystallographica Section E","2012","68","1","o10","","10.1107/S1600536811051439","","","0.71073","MoKα","","0.0785","0.0556","","","0.1001","0.1095","","","","","","1.263","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233099","5.0148","0.0006","12.864","0.002","46.314","0.005","90","","90","","90","","2987.7","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide monohydrate","","- C14 H14 Cl N O4 S -","- C14 H14 Cl N O4 S -","- C112 H112 Cl8 N8 O32 S8 -","8","1","BT5739","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet","4-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide monohydrate","Acta Crystallographica Section E","2012","68","1","o46","","10.1107/S1600536811051932","","","0.71073","MoKα","","0.1434","0.1045","","","0.1718","0.185","","","","","","1.352","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233100","8.9795","0.0005","10.159","0.0005","25.105","0.0013","90","","90","","90","","2290.1","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-(4-Chlorophenyl)-2-{[<i>N</i>-(2-formylphenyl)-4- methylbenzenesulfonamido]methyl}prop-2-enenitrile","","- C24 H19 Cl N2 O3 S -","- C24 H19 Cl N2 O3 S -","- C96 H76 Cl4 N8 O12 S4 -","4","1","BT5740","Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(<i>Z</i>)-3-(4-Chlorophenyl)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}prop-2-enenitrile","Acta Crystallographica Section E","2012","68","1","o56","o57","10.1107/S160053681105241X","","","0.71073","MoKα","","0.0679","0.0409","","","0.0979","0.1108","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233101","6.7499","0.0002","20.3357","0.0005","17.1671","0.0004","90","","90","","90","","2356.42","0.11","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","<i>N</i>-(2-Chloro-4-nitrophenyl)maleamic acid monohydrate","3-[(2-chloro-4-nitrophenyl)carbamoyl]prop-2-enoic acid monohydrate","","- C10 H9 Cl N2 O6 -","- C10 H9 Cl N2 O6 -","- C80 H72 Cl8 N16 O48 -","8","","BT5742","Shakuntala, K.; Fronc, Marek; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(2-Chloro-4-nitrophenyl)maleamic acid monohydrate","Acta Crystallographica Section E","2012","68","1","o99","o100","10.1107/S1600536811052573","","","0.71073","MoKα","","0.0509","0.0442","","","0.122","0.1281","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233102","21.3744","0.001","6.9762","0.0003","20.3084","0.001","90","","103.361","0.002","90","","2946.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl (<i>Z</i>)-2-[(2,4-dioxothiazolidin-3-yl)methyl]- 3-(2-methylphenyl)prop-2-enoate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C120 H120 N8 O32 S8 -","8","1","BT5747","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (<i>Z</i>)-2-[(2,4-dioxothiazolidin-3-yl)methyl]-3-(2-methylphenyl)prop-2-enoate","Acta Crystallographica Section E","2012","68","1","o156","o157","10.1107/S1600536811053682","","","0.71073","MoKα","","0.0726","0.0448","","","0.1199","0.135","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233103","10.868","0.002","5.1693","0.0013","13.327","0.003","90","","102.623","0.018","90","","730.6","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,3'-(Ethane-1,2-diyl)bis(3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","BT5748","Rivera, Augusto; Camacho, Jairo; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","3,3'-(Ethane-1,2-diyl)bis(3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","Acta Crystallographica Section E","2012","68","1","o148","","10.1107/S1600536811053530","","","1.5418","CuKα","","0.1055","0.067","","","0.1503","0.1706","","","","","","1.38","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233104","6.0666","0.0005","10.09","0.0009","23.747","0.002","90","","90","","90","","1453.6","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(8a-hydroxy-4a-methyl-8-methylenedecahydronaphthalen-2-yl)acrylate","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","BT5751","Tebbaa, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Mellouki, Fouad; Berraho, Moha","Methyl 2-(8a-hydroxy-4a-methyl-8-methylenedecahydronaphthalen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","1","o165","","10.1107/S1600536811053712","","","0.71073","MoKα","","0.0798","0.0461","","","0.0982","0.1143","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233105","9.6541","0.0006","9.5198","0.0011","16.0007","0.0019","90","","97.321","0.007","90","","1458.6","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-[Imidazolidine-1,3-diylbis(methylene)]diphenol","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","BT5752","Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","2,2'-[Imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","1","o170","o171","10.1107/S1600536811053748","","","1.5418","CuKα","","0.0363","0.0323","","","0.0984","0.1015","","","","","","1.84","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233106","14.0658","0.0004","9.599","0.0003","11.2657","0.0003","90","","90","","90","","1521.07","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3<i>S</i>*,4<i>S</i>*,<i>E</i>)-<i>tert</i>-Butyl 3,4-dibromo-5-oxocyclooct-1-enecarboxylate","","- C13 H18 Br2 O3 -","- C13 H18 Br2 O3 -","- C52 H72 Br8 O12 -","4","1","BT5753","Blanco, Magda; Garrido, Narciso M.; Sanz, Francisca; Diez, David","(3<i>S</i>*,4<i>S</i>*,<i>E</i>)-<i>tert</i>-Butyl 3,4-dibromo-5-oxocyclooct-1-enecarboxylate","Acta Crystallographica Section E","2012","68","1","o232","","10.1107/S1600536811053852","","","1.54178","CuKα","","0.0291","0.0289","","","0.0741","0.0746","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233107","11.891","0.002","5.0577","0.0006","23.488","0.003","90","","90.43","0.01","90","","1412.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Chlorobenzoyl)-3-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C52 H36 Cl4 N8 O20 S4 -","4","1","BT5758","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorobenzoyl)-3-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","1","o244","","10.1107/S1600536811054857","","","0.71073","MoKα","","0.0824","0.058","","","0.0947","0.1048","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233108","7.257","0.001","16.023","0.001","21.04","0.002","90","","90","","90","","2446.5","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetrakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc bis(tetrafluoridoborate)","","- C16 H24 B2 F8 N8 Zn -","- C16 H24 B2 F8 N8 Zn -","- C64 H96 B8 F32 N32 Zn4 -","4","1","BV2196","Reedijk, Jan; van Albada, Gerard A.; Limburg, Bart; Mutikainen, Ilpo; Turpeinen, Urho","Tetrahedral zinc in tetrakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc bis(tetrafluoridoborate)","Acta Crystallographica Section E","2012","68","1","m90","","10.1107/S1600536811054821","","","0.71073","MoKα","","0.0335","0.0267","","","0.0643","0.0683","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233109","11.703","0.002","18.623","0.004","12.477","0.003","90","","106.06","0.03","90","","2613.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(1<i>H</i>-Benzimidazol-2-yl)methanaminium perchlorate‒18-crown-6‒water (1/1/1)","(1<i>H</i>-Benzimidazol-2-yl)methanaminium perchlorate‒1,4,7,10,13,16-hexaoxacyclooctadecane‒water (1/1/1)","","- C20 H36 Cl N3 O11 -","- C20 H36 Cl N3 O11 -","- C80 H144 Cl4 N12 O44 -","4","1","BX2375","Sun, Su-Wen","(1<i>H</i>-Benzimidazol-2-yl)methanaminium perchlorate‒18-crown-6‒water (1/1/1)","Acta Crystallographica Section E","2012","68","1","o25","","10.1107/S1600536811050665","","","0.71073","MoKα","","0.1529","0.0759","","","0.1893","0.2361","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233110","8.4914","0.0004","16.1497","0.0006","11.8673","0.0006","90","","102.69","0.005","90","","1587.65","0.13","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hexyl-1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecan-1-ium iodide","","- C13 H27 I N4 -","- C13 H27 I N4 -","- C52 H108 I4 N16 -","4","1","BX2384","Rivera, Augusto; Sadat-Bernal, John; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1-Hexyl-1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecan-1-ium iodide","Acta Crystallographica Section E","2012","68","1","o17","","10.1107/S1600536811050781","","","0.71069","MoKα","","0.0548","0.0343","","","0.0814","0.0859","","","","","","1.23","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233111","15.51","0.003","11.717","0.002","13.014","0.003","90","","90","","90","","2365","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4-Methylanilinium perchlorate‒18-crown-6 (1/1)","4-Methylanilinium perchlorate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C19 H34 Cl N O10 -","- C19 H34 Cl N O10 -","- C76 H136 Cl4 N4 O40 -","4","0.5","CV5196","Wang, Yu-Feng","4-Methylanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","1","o185","","10.1107/S1600536811053992","","","0.71073","MoKα","","0.075","0.052","","","0.12","0.1314","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233112","5.947","0.0004","7.4331","0.0005","26.72","0.002","90","","92.185","0.001","90","","1180.29","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-3-tetradecyloxypropan-1-aminium bromide","","- C20 H44 Br N O2 -","- C20 H44 Br N O2 -","- C40 H88 Br2 N2 O4 -","2","0.5","CV5198","Wang, Xiuhong; Wei, Xilian; Du, Panpan","2-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-3-tetradecyloxypropan-1-aminium bromide","Acta Crystallographica Section E","2012","68","1","o246","","10.1107/S1600536811054651","","","0.71073","MoKα","","0.0836","0.052","","","0.1421","0.154","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233113","18.4108","0.0004","14.8908","0.0003","22.8569","0.0005","90","","105.247","0.003","90","","6045.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II) nicotinamide hemisolvate trihydrate","","- C29 H31 Cu F2 N5 O10.5 -","- C29 H31 Cu F2 N5 O10.5 -","- C232 H248 Cu8 F16 N40 O84 -","8","2","CV5200","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Adıgüzel, Vedat; Hökelek, Tuncer","Aquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II) nicotinamide hemisolvate trihydrate","Acta Crystallographica Section E","2012","68","1","m52","m53","10.1107/S1600536811053116","","","0.71073","MoKα","","0.092","0.0627","","","0.1482","0.1596","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233114","6.8527","0.0004","8.6643","0.0005","17.5572","0.0015","90","","90","","90","","1042.44","0.12","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>)-5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C40 H36 N4 O4 S8 -","4","1","CV5203","Jiang, Jun-Rong; Xu, Feng; Ke, Zhong-Lu; Li, Li","(5<i>S</i>)-5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","1","o34","","10.1107/S1600536811051312","","","0.71073","MoKα","","0.0321","0.0281","","","0.062","0.0636","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233115","13.5","0.01","7.571","0.006","16.738","0.012","90","","90","","90","","1711","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]- 2,4-dimethylaniline","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","0.5","CV5204","Yuan, Jianchao; Miao, Chengping; Xu, Weibing; Yuan, Bingnian","(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]-2,4-dimethylaniline","Acta Crystallographica Section E","2012","68","1","o164","","10.1107/S1600536811053244","","","0.71073","MoKα","","0.082","0.0516","","","0.1536","0.1746","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233116","7.078","0.003","29.1953","0.0016","7.3013","0.001","90","","106.521","0.003","90","","1446.5","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Fluoro-<i>N</i>'-[(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","","- C18 H13 F N2 O2 -","- C18 H13 F N2 O2 -","- C72 H52 F4 N8 O8 -","4","1","CV5206","Wang, Dong-Yue; Meng, Xu-Feng; Ma, Jing-Jun","2-Fluoro-<i>N</i>'-[(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","1","o21","","10.1107/S1600536811050896","","","0.71073","MoKα","","0.0798","0.0461","","","0.1108","0.1331","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233117","9.1084","0.001","11.3612","0.0016","11.8249","0.0018","101.006","0.003","93.049","0.003","109.777","0.003","1121.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(1-iminoethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II)","","- C16 H16 N2 Ni O2 -","- C16 H16 N2 Ni O2 -","- C48 H48 N6 Ni3 O6 -","3","1.5","CV5207","Wang, Ning","Bis[2-(1-iminoethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II)","Acta Crystallographica Section E","2012","68","1","m11","","10.1107/S1600536811051476","","","0.71073","MoKα","","0.136","0.0619","","","0.1164","0.1462","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233118","21.5817","0.0007","11.2676","0.0004","9.5025","0.0003","90","","90","","90","","2310.76","0.13","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid","","- C28 H18 O10 -","- C28 H18 O10 -","- C112 H72 O40 -","4","1","CV5208","Zhao, Ningning; Li, Wenjun; Chang, Zhidong; Sun, Changyan; Fan, Hongxia","3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid","Acta Crystallographica Section E","2012","68","1","o211","","10.1107/S1600536811053219","","","0.71073","MoKα","","0.0617","0.0478","","","0.1109","0.1175","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233119","8.6517","0.0007","12.1233","0.001","12.6752","0.001","64.045","0.001","88.879","0.001","72.892","0.001","1133.22","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aqua(3-fluorobenzoato-κ<i>O</i>)(3-fluorobenzoato- κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C26 H18 Co F2 N2 O5 -","- C26 H18 Co F2 N2 O5 -","- C52 H36 Co2 F4 N4 O10 -","2","1","CV5209","Wang, Xiao-Hui; Sun, Li-Mei","Aqua(3-fluorobenzoato-κ<i>O</i>)(3-fluorobenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2012","68","1","m16","","10.1107/S1600536811051804","","","0.71073","MoKα","","0.052","0.0379","","","0.0979","0.1045","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233120","10.407","0.002","15.075","0.003","15.766","0.003","88.81","0.03","88.33","0.03","74.17","0.03","2378.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane- κ<i>P</i>]platinum(II) acetone monosolvate","","- C45 H72 Cl2 O P2 Pt -","- C45 H72 Cl2 O P2 Pt -","- C90 H144 Cl4 O2 P4 Pt2 -","2","1","CV5210","Vuba, Bubele; Muller, Alfred","<i>trans</i>-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane-κ<i>P</i>]platinum(II) acetone monosolvate","Acta Crystallographica Section E","2012","68","1","m14","m15","10.1107/S1600536811051841","","","1.54178","CuKα","","0.0305","0.026","","","","0.0669","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233121","9.87","0.002","9.637","0.0019","10.398","0.002","90","","90.18","0.03","90","","989","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Benzylsulfanyl-1<i>H</i>-1,2,4-triazol-5-amine","","- C9 H10 N4 S -","- C9 H10 N4 S -","- C36 H40 N16 S4 -","4","1","CV5211","Zhang, Shuai; Liu, Pei-Jiang; Ma, Dong-Sheng; Hou, Guang-Feng","3-Benzylsulfanyl-1<i>H</i>-1,2,4-triazol-5-amine","Acta Crystallographica Section E","2012","68","1","o83","","10.1107/S1600536811052159","","","0.71073","MoKα","","0.0868","0.0468","","","0.0972","0.111","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233122","10.066","0.002","6.7887","0.0014","11.05","0.002","90","","99.3","0.03","90","","745.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethane-1,2-diaminium (<i>R</i>)-2-[4-(1-carboxylatoethoxy)phenoxy]acetate","","- C13 H20 N2 O6 -","- C13 H20 N2 O6 -","- C26 H40 N4 O12 -","2","1","CV5213","Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","Ethane-1,2-diaminium (<i>R</i>)-2-[4-(1-carboxylatoethoxy)phenoxy]acetate","Acta Crystallographica Section E","2012","68","1","o223","","10.1107/S1600536811054535","","","0.71073","MoKα","","0.1247","0.0662","","","0.15","0.1764","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233123","11.88","0.007","8.332","0.005","9.681","0.006","90","","90","","90","","958.3","1","273","2","273","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate","","- C10 H16 Cu K3 N2 O12 P -","- C10 H16 Cu K3 N2 O12 P -","- C20 H32 Cu2 K6 N4 O24 P2 -","2","0.5","CV5214","Liu, Liyan; Zhang, Rui; Fan, Ping; Yu, Zhan; Zhang, Xiangdong","Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate","Acta Crystallographica Section E","2012","68","1","m73","","10.1107/S1600536811053608","","","0.71073","MoKα","","0.0293","0.0252","","","0.0625","0.0645","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233124","8.427","0.003","10.439","0.004","15.724","0.006","90","","90","","90","","1383.2","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>'-[(<i>E</i>)-3-Phenylallylidene]benzohydrazide","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","CV5216","Deng, Gui-Ming; Chen, Zhen; Wang, Chao-Run; Zhang, He-Ming","(<i>E</i>)-<i>N</i>'-[(<i>E</i>)-3-Phenylallylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","1","o160","","10.1107/S1600536811053645","","","0.71073","MoKα","","0.1009","0.0406","","","0.0779","0.0957","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233125","8.3909","0.0001","8.8277","0.0002","11.5025","0.0002","110.218","0.001","102.529","0.001","99.101","0.001","754.78","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-(2-hydroxyethyl)-2-[2-(methylsulfanyl)ethyl]- 1<i>H</i>-benzimidazole-5-carboxylate","","- C15 H20 N2 O3 S -","- C15 H20 N2 O3 S -","- C30 H40 N4 O6 S2 -","2","1","CV5217","Hamzah, Nurasyikin; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad","Ethyl 1-(2-hydroxyethyl)-2-[2-(methylsulfanyl)ethyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","o197","o198","10.1107/S160053681105389X","","","0.71073","MoKα","","0.045","0.0365","","","0.0811","0.0864","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233126","11.1371","0.0004","4.8523","0.00017","21.5198","0.0008","90","","90.142","0.003","90","","1162.94","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloro-<i>N</i>-(2-chlorophenyl)benzamide","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","DS2157","Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef","3-Chloro-<i>N</i>-(2-chlorophenyl)benzamide","Acta Crystallographica Section E","2012","68","1","o49","","10.1107/S1600536811051944","","","0.71073","MoKα","","0.0541","0.0382","","","0.1122","0.1179","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233127","7.4088","0.0003","19.1779","0.0006","9.9784","0.0004","90","","98.2825","0.0015","90","","1403","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Aminopyridinium 2-methoxycarbonyl-4,6-dinitrophenolate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","EZ2268","Wu, Dong-Liang; Xiao, Zi-Jing","2-Aminopyridinium 2-methoxycarbonyl-4,6-dinitrophenolate","Acta Crystallographica Section E","2012","68","1","o124","o125","10.1107/S160053681105286X","","","0.71073","MoKα","","0.0445","0.0397","","","0.1081","0.111","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233128","10.004","0.002","8.8311","0.0018","11.183","0.002","90","","92.79","0.03","90","","986.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-hydroxypropanaminium) naphthalene-1,5-disulfonate","","- C16 H26 N2 O8 S2 -","- C16 H26 N2 O8 S2 -","- C32 H52 N4 O16 S4 -","2","0.5","EZ2272","Jin, Yu","Bis(3-hydroxypropanaminium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","1","o212","","10.1107/S1600536811053141","","","0.71073","MoKα","","0.0562","0.0539","","","0.1542","0.156","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233129","11.6158","0.0011","15.9119","0.0016","19.302","0.002","90","","90","","90","","3567.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-3-yl]oxy}acetate","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C152 H136 Cl8 N16 O24 -","8","1","EZ2274","Yang, Xiao-Li","Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-3-yl]oxy}acetate","Acta Crystallographica Section E","2012","68","1","o123","","10.1107/S1600536811052937","","","0.71073","MoKα","","0.1139","0.0551","","","0.0812","0.0934","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233130","14.0652","0.001","9.6485","0.0007","33.345","0.002","90","","93.65","0.001","90","","4516","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Pentaaqua(5-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)(pyridine- 2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)cerium(III) tetrahydrate","","- C14 H25 Ce N2 O17 -","- C14 H25 Ce N2 O17 -","- C112 H200 Ce8 N16 O136 -","8","1","EZ2275","Ma, Ning; Zhang, Tong; Yang, Guang-Rui","Pentaaqua(5-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)cerium(III) tetrahydrate","Acta Crystallographica Section E","2012","68","1","m41","m42","10.1107/S1600536811052688","","","0.71073","MoKα","","0.0235","0.021","","","0.0484","0.0495","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233131","16.861","0.003","11.317","0.002","9.6484","0.0019","90","","98.94","0.03","90","","1818.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[2-(<i>tert</i>-butoxycarbonylamino)-1,3-benzothiazole-6-carboxamido]acetate","","- C16 H19 N3 O5 S -","- C16 H19 N3 O5 S -","- C64 H76 N12 O20 S4 -","4","1","FF2042","Gao, Dan; Fang, Xing; Yu, Hai-Yang; Wang, Jun-Dong","Methyl 2-[2-(<i>tert</i>-butoxycarbonylamino)-1,3-benzothiazole-6-carboxamido]acetate","Acta Crystallographica Section E","2012","68","1","o115","","10.1107/S1600536811052421","","","0.71073","MoKα","","0.0943","0.0834","","","0.1737","0.1795","","","","","","1.258","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233132","11.7552","0.0009","5.9139","0.0004","13.8789","0.0011","90","","109.023","0.009","90","","912.16","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4<i>R</i>)-4-Benzyl-3-{(4<i>S</i>)-4-chloro-4-[(<i>S</i>)-2,2- dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one","","- C19 H24 Cl N O5 -","- C19 H24 Cl N O5 -","- C38 H48 Cl2 N2 O10 -","2","1","FF2045","Börding, Sandra; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","(4<i>R</i>)-4-Benzyl-3-{(4<i>S</i>)-4-chloro-4-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","1","o169","","10.1107/S1600536811053840","","","0.71073","MoKα","","0.0653","0.039","","","0.0447","0.0469","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233133","11.616","0.003","12.962","0.003","12.99","0.003","83.62","0.011","85.632","0.011","64.647","0.006","1755.6","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","9-[(<i>E</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]- 9<i>H</i>-carbazole","","- C20 H22 B N O2 -","- C20 H22 B N O2 -","- C80 H88 B4 N4 O8 -","4","2","FF2046","Hatayama, Yuki; Okuno, Tsunehisa","9-[(<i>E</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","1","o84","","10.1107/S1600536811052470","","","0.71075","MoKα","","","0.0525","","","","0.1365","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233134","8.0785","0.0007","8.7261","0.0006","26.2616","0.0017","90","","90.829","0.003","90","","1851.1","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2,2'-[3-(2-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2- en-1-one)","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","FF2047","Cha, Joo Hwan; Kim, Young Hee; Lee, Jae Kyun; Cho, Yong Seo","(<i>E</i>)-2,2'-[3-(2-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2-en-1-one)","Acta Crystallographica Section E","2012","68","1","o245","","10.1107/S1600536811054730","","","0.71075","MoKα","","","0.0452","","","","0.156","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233135","16.734","0.0004","8.829","0.0002","13.0178","0.0003","90","","105.197","0.001","90","","1856.05","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran","","- C21 H21 Br O2 S -","- C21 H21 Br O2 S -","- C84 H84 Br4 O8 S4 -","4","1","FF2048","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","1","o205","","10.1107/S1600536811054158","","","0.71073","MoKα","","0.0582","0.0374","","","0.0886","0.0973","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233136","9.4131","0.0017","8.194","0.0015","9.3987","0.0017","90","","99.651","0.003","90","","714.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diammonium diaquabis(phosphato)triferrate(II)","","- Fe3 H12 N2 O16 P4 -","- Fe3 H12 N2 O16 P4 -","- Fe6 H24 N4 O32 P8 -","2","0.5","FI2119","Liu, Biao; Zhang, Xin; Wen, Lei; Sun, Wei; Huang, Ya-Xi","An ammonium iron(II) pyrophosphate, (NH~4~)~2~[Fe~3~(P~2~O~7~)~2~(H~2~O)~2~], with a layered structure","Acta Crystallographica Section E","2012","68","1","i5","i6","10.1107/S1600536811052482","","","0.71073","MoKα","","0.0485","0.0399","","","0.0815","0.085","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233137","22.6222","0.0009","6.0675","0.0002","4.7005","0.0002","90","","90","","90","","645.19","0.04","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-Aminophenyl)methanol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","FJ2480","Zipp, Caitlin F.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","(2-Aminophenyl)methanol","Acta Crystallographica Section E","2012","68","1","o174","","10.1107/S1600536811053657","","","0.71073","MoKα","","0.0317","0.03","","","0.0742","0.0754","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233138","8.925","0.0003","9","0.0003","10.5066","0.0003","75.648","0.002","67.124","0.002","67.126","0.002","711.75","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[[{μ~3~-dihydrogen [(pyridin-4-ylmethylimino)bis(methylene)]diphosphonato- κ^5^<i>O</i>:<i>O</i>',<i>N</i>,<i>O</i>'':<i>N</i>'}copper(II)] dihydrate]","","- C8 H16 Cu N2 O8 P2 -","- C8 H16 Cu N2 O8 P2 -","- C16 H32 Cu2 N4 O16 P4 -","2","1","FJ2483","Zhang, Shi-Yong; Zhou, Zhong-Gao; Wang, Ke-Jun","Poly[[{μ~3~-dihydrogen [(pyridin-4-ylmethylimino)bis(methylene)]diphosphonato-κ^5^<i>O</i>:<i>O</i>',<i>N</i>,<i>O</i>'':<i>N</i>'}copper(II)] dihydrate]","Acta Crystallographica Section E","2012","68","1","m38","m39","10.1107/S1600536811052512","","","0.71073","MoKα","","0.0723","0.0459","","","0.1062","0.1182","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233139","9.0604","0.0009","14.3239","0.0014","17.9617","0.0018","90","","90","","90","","2331.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-(Ethene-1,2-diyl)bis(diphenylphosphine selenide)","","- C26 H22 P2 Se2 -","- C26 H22 P2 Se2 -","- C104 H88 P8 Se8 -","4","1","FJ2485","Phasha, Zanele; Makhoba, Sizwe; Muller, Alfred","<i>trans</i>-(Ethene-1,2-diyl)bis(diphenylphosphine selenide)","Acta Crystallographica Section E","2012","68","1","o44","","10.1107/S160053681105183X","","","0.71073","MoKα","","0.0295","0.0251","","","","0.0533","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233140","12.2787","0.0005","5.6264","0.0002","17.2874","0.0008","90","","105.833","0.002","90","","1148.99","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]benzoic acid","","- C14 H10 F N O2 -","- C14 H10 F N O2 -","- C56 H40 F4 N4 O8 -","4","1","FJ2486","Muñoz-Flores, Blanca M.; Pérez, Víctor M. Jiménez; Santillan, Rosa L.; Ochoa, Maria Eugenia; Waksman, Noemi","4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2012","68","1","o175","","10.1107/S1600536811052275","","","0.71073","MoKα","","0.1171","0.0623","","","0.154","0.1909","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233141","15.6767","0.0006","5.9655","0.0002","14.4589","0.0004","90","","102.961","0.001","90","","1317.74","0.08","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[(Hydroxy)(4-methylphenyl)methylidene]isochroman-1,3-dione","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","FJ2488","Abou, Akoun; Djandé, Abdoulaye; Saba, Adama; Chiavassa, Thierry; Kakou-Yao, Rita","4-[(Hydroxy)(4-methylphenyl)methylidene]isochroman-1,3-dione","Acta Crystallographica Section E","2012","68","1","o3","","10.1107/S1600536811050975","","","0.71073","MoKα","","0.0734","0.0573","","","0.1388","0.15","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233142","7.5161","0.0015","10.921","0.002","14.45","0.003","79.43","0.03","80.13","0.03","71.25","0.03","1096","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) aquatris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)indate(III)","","- C12 H26 Co In N6 O13 -","- C12 H26 Co In N6 O13 -","- C24 H52 Co2 In2 N12 O26 -","2","1","FJ2490","Zhang, Zhe; Wang, Fuxiang; Liao, Shuangquan","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) aquatris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)indate(III)","Acta Crystallographica Section E","2012","68","1","m65","m66","10.1107/S1600536811053736","","","0.71073","MoKα","","0.0577","0.0476","","","0.1138","0.1192","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233143","12.4662","0.0004","17.7213","0.0005","7.4352","0.0002","90","","96.658","0.002","90","","1631.49","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3,5-dinitrobenzamido)benzoate","","- C16 H13 N3 O7 -","- C16 H13 N3 O7 -","- C64 H52 N12 O28 -","4","1","FK2047","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Wong, Wing-Tak","Ethyl 2-(3,5-dinitrobenzamido)benzoate","Acta Crystallographica Section E","2012","68","1","o129","","10.1107/S1600536811053074","","","0.71073","MoKα","","0.0765","0.0487","","","0.1282","0.1739","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233144","17.669","0.005","3.911","0.0011","18.38","0.005","90","","108.177","0.004","90","","1206.7","0.6","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione","","","- C9 H4 S7 -","- C9 H4 S7 -","- C36 H16 S28 -","4","2","FY2030","Ueda, Kazumasa; Suzuki, Kenta; Kunimoto, Kei; Yoza, Kenji","2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione","Acta Crystallographica Section E","2012","68","1","o52","","10.1107/S1600536811051518","","","0.71073","MoKα","","0.1058","0.0609","","","0.0926","0.1072","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233145","13.5134","0.0012","8.6952","0.0008","22.3532","0.0019","90","","99.413","0.001","90","","2591.2","0.4","185","2","185","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine","","- C32 H32 N2 -","- C32 H32 N2 -","- C128 H128 N8 -","4","0.5","FY2033","Wang, Li; Luo, Xuyang; Gao, Bo; Wu, Qiaolin; Mu, Ying","<i>N</i>,<i>N</i>'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine","Acta Crystallographica Section E","2012","68","1","o128","","10.1107/S1600536811052901","","","0.71073","MoKα","","0.0762","0.053","","","0.1358","0.1506","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233146","22.994","0.014","8.676","0.005","18.652","0.018","90","","124.084","0.004","90","","3082","4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-<i>N</i>-{(<i>E</i>)-2-[(3,5-Dimethylbiphenyl-4- yl)imino]acenaphthen-1-ylidene}-2,6-dimethyl-4-phenylaniline","","- C40 H32 N2 -","- C40 H32 N2 -","- C160 H128 N8 -","4","0.5","FY2034","Yuan, Jianchao; Xie, Xiaoli; Liu, Yufeng; Miao, Chengping; Li, Jing","(<i>E</i>)-<i>N</i>-{(<i>E</i>)-2-[(3,5-Dimethylbiphenyl-4-yl)imino]acenaphthen-1-ylidene}-2,6-dimethyl-4-phenylaniline","Acta Crystallographica Section E","2012","68","1","o210","","10.1107/S1600536811054092","","","0.71073","MoKα","","0.114","0.0591","","","0.1613","0.2114","","","","","","1.161","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233147","13.326","0.0004","5.794","0.0001","24.2246","0.0006","90","","121.546","0.001","90","","1593.99","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-({[4-(1,3-Benzothiazol-2-yl)phenyl]amino}methyl)phenol","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","GG2063","Potgieter, Kim; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-({[4-(1,3-Benzothiazol-2-yl)phenyl]amino}methyl)phenol","Acta Crystallographica Section E","2012","68","1","o27","","10.1107/S1600536811051580","","","0.71069","MoKα","","0.0453","0.0334","","","0.0842","0.0921","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233148","9.689","0.008","7.44","0.006","35.53","0.03","90","","90","","90","","2561","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-Phenylethenyl]-1<i>H</i>-indole-6-carbonitrile","","- C17 H12 N2 -","- C17 H12 N2 -","- C136 H96 N16 -","8","1","GG2065","Ge, Yu-Hua; Wu, Dong-En; Luo, Yang-Hui","3-[(<i>E</i>)-2-Phenylethenyl]-1<i>H</i>-indole-6-carbonitrile","Acta Crystallographica Section E","2012","68","1","o207","","10.1107/S1600536811054225","","","0.71073","MoKα","","0.0514","0.0383","","","0.1066","0.1269","","","","","","1.163","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233149","23.6271","0.0016","11.2942","0.0006","8.2359","0.0007","90","","109.538","0.008","90","","2071.2","0.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis(3-phenoxybenzylidene)hydrazine","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","0.5","GG2067","Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Narayana, B.; Yathirajan, H. S.","1,2-Bis(3-phenoxybenzylidene)hydrazine","Acta Crystallographica Section E","2012","68","1","o81","","10.1107/S1600536811052469","","","0.71073","MoKα","","0.0776","0.0495","","","0.1182","0.1437","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233150","6.4773","0.0003","7.3091","0.0003","12.4758","0.0004","88.996","0.003","77.214","0.003","79.925","0.003","566.98","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-iminium chloride","","- C9 H12 Cl2 N4 -","- C9 H12 Cl2 N4 -","- C18 H24 Cl4 N8 -","2","1","GG2070","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Deshmukh, Madhukar B.; Shripanavar, Chetan S.","1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-iminium chloride","Acta Crystallographica Section E","2012","68","1","o147","","10.1107/S1600536811053487","","","0.71073","MoKα","","0.05","0.0411","","","0.1002","0.1075","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233151","5.9354","0.0001","13.3091","0.0002","22.1511","0.0003","90","","90","","90","","1749.82","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>2R</i>)-8-Benzyl-2-[(<i>S</i>)-hydroxy(phenyl)methyl]-8- azabicyclo[3.2.1]octan-3-one","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","GK2429","Brzezinski, Krzysztof; Lazny, Ryszard; Sienkiewicz, Michal; Wojtulewski, Sławomir; Dauter, Zbigniew","(<i>2R</i>)-8-Benzyl-2-[(<i>S</i>)-hydroxy(phenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2012","68","1","o149","o150","10.1107/S1600536811053190","","","1.5418","CuKα","","0.0272","0.0268","","","0.07","0.0703","","","","","","1.177","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233152","7.9325","0.0016","17.931","0.004","19.575","0.004","90","","93.37","0.03","90","","2779.5","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-Methylanilinium hydrogen phthalate","3-methylanilinium 2-carboxybenzoate","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C120 H120 N8 O32 -","8","2","GK2431","Liu, Ming-Liang","3-Methylanilinium hydrogen phthalate","Acta Crystallographica Section E","2012","68","1","o228","","10.1107/S1600536811054353","","","0.71073","MoKα","","0.1484","0.066","","","0.1365","0.1651","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233153","6.7302","0.0002","18.8959","0.0005","8.7242","0.0002","90","","95.916","0.002","90","","1103.58","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-3-carbonitrile- κ<i>N</i>^1^)nickel(II)","","- C18 H18 N4 Ni O2 S4 -","- C18 H18 N4 Ni O2 S4 -","- C36 H36 N8 Ni2 O4 S8 -","2","0.5","GK2438","Kapoor, Sanjay; Kour, Ramandeep; Sachar, Renu; Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini","Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-3-carbonitrile-κ<i>N</i>^1^)nickel(II)","Acta Crystallographica Section E","2012","68","1","m58","","10.1107/S1600536811053475","","","0.71073","MoKα","","0.0305","0.0253","","","0.0569","0.0604","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233154","3.8721","0.0004","5.8068","0.0006","17.3721","0.0018","95.563","0.009","94.918","0.008","104.657","0.009","373.64","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","Methyl 6-chloronicotinate","methyl 6-chloropyridine-3-carboxylate","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C14 H12 Cl2 N2 O4 -","2","1","GK2439","Xu, Yong; Yang, Ling-Ling; Yang, Sheng-Yong; Liu, Jie","Methyl 6-chloronicotinate","Acta Crystallographica Section E","2012","68","1","o162","","10.1107/S1600536811053517","","","0.7107","MoKα","","0.1131","0.055","","","0.0966","0.1193","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233155","10.3666","0.0004","14.6008","0.0005","7.824","0.0003","90","","98.446","0.004","90","","1171.4","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Pyrrolidin-1-ylcarbothioyl)benzamide","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","GK2440","Al-abbasi, Aisha A.; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","<i>N</i>-(Pyrrolidin-1-ylcarbothioyl)benzamide","Acta Crystallographica Section E","2012","68","1","o201","","10.1107/S1600536811053694","","","1.54178","CuKα","","0.0413","0.0352","","","0.0934","0.0984","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233156","5.7575","0.0006","11.3547","0.0012","28.554","0.003","90","","94.442","0.008","90","","1861.1","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[2-(4-Chlorophenyl)-5-phenyloxolan-3-yl](cyclopentenyl)methanone","","- C22 H21 Cl O2 -","- C22 H21 Cl O2 -","- C88 H84 Cl4 O8 -","4","1","GO2037","Lee, Jae Kyun; Chavre, Satish N.; Cho, Yong Seo; Lee, Yeonhee; Cha, Joo Hwan","[2-(4-Chlorophenyl)-5-phenyloxolan-3-yl](cyclopentenyl)methanone","Acta Crystallographica Section E","2012","68","1","o45","","10.1107/S1600536811051993","","","1.54187","CuKα","","","0.0507","","","","0.1392","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233157","8.5137","0.0017","6.121","0.0012","18.283","0.004","90","","99.34","0.03","90","","940.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(hydroxymethyl)methanaminium trifluoroacetate","","- C6 H12 F3 N O5 -","- C6 H12 F3 N O5 -","- C24 H48 F12 N4 O20 -","4","1","GO2038","Liu, Ming-Liang","Tris(hydroxymethyl)methanaminium trifluoroacetate","Acta Crystallographica Section E","2012","68","1","o60","","10.1107/S1600536811052226","","","0.71073","MoKα","","0.0735","0.061","","","0.1472","0.1553","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233158","8.2265","0.0001","33.0103","0.0002","10.0322","0.0005","90","","90","","90","","2724.34","0.14","119.9","0.2","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","6,6'-Di-<i>tert</i>-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate","","- C28 H42.38 N2 O4.19 -","- C28 H42.37 N2 O4.185 -","- C112 H169.48 N8 O16.74 -","4","0.5","GO2039","Rivera, Augusto; González, Derly Marcela; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","6,6'-Di-<i>tert</i>-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate","Acta Crystallographica Section E","2012","68","1","o191","o192","10.1107/S1600536811053542","","","1.5418","CuKα","","0.0363","0.035","","","0.1205","0.1219","","","","","","2.64","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2233159","16.223","0.001","16.223","0.001","4.813","0.0003","90","","90","","120","","1097.01","0.12","173","2","173","2","","","","","","","","4","P 32","P 32","145","","(<i>S</i>)-4-Phenyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","","- C18 H16 N2 S -","- C18 H16 N2 S -","- C54 H48 N6 S3 -","3","1","GW2110","Pawar, Sunayna; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(<i>S</i>)-4-Phenyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","Acta Crystallographica Section E","2012","68","1","o176","","10.1107/S1600536811052585","","","0.71073","MoKα","","0.0436","0.0352","","","0.0811","0.0843","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233160","12.0056","0.0016","19.283","0.003","20.183","0.003","90","","90","","90","","4672.4","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(4-<i>tert</i>-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl- 1<i>H</i>-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate","","- C24 H29 N3 O2 -","- C24 H29 N3 O2 -","- C192 H232 N24 O16 -","8","1","HB6506","Yang, Guiqiu; Wang, Yang; Yu, Haibo","(<i>E</i>)-2-(4-<i>tert</i>-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl-1<i>H</i>-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate","Acta Crystallographica Section E","2012","68","1","o64","","10.1107/S1600536811052007","","","0.71073","MoKα","","0.0719","0.0482","","","0.1303","0.1479","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233161","14.2557","0.0019","9.3705","0.0013","15.278","0.002","90","","106.601","0.002","90","","1955.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8-dimethoxy-11-methyl-17,19-dioxa-11- azatetracyclo[12.7.0.0^4,9^.0^16,20^]henicosa-1(21),4,6,8,14,16(20)-hexaen-2-ol","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","HB6507","Sun, Wenwen; Qin, Yuyan; Hou, Zhe; Yao, Yao; Zhou, Le","Dihydroallocryptopine","Acta Crystallographica Section E","2012","68","1","o69","","10.1107/S1600536811052172","","","0.71073","MoKα","","0.0569","0.0412","","","0.0994","0.1104","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233162","15.023","0.008","5.871","0.003","16.867","0.009","90","","113.721","0.006","90","","1362","1.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(5-methoxy-1<i>H</i>-indol-3-yl)benzoate","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","HB6526","Wang, Cui-Ping; Yu, Jiang-Long; Zhang, Zhi-Qiang; Yan, Jing-Bo","Methyl 4-(5-methoxy-1<i>H</i>-indol-3-yl)benzoate","Acta Crystallographica Section E","2012","68","1","o133","","10.1107/S1600536811052135","","","0.71073","MoKα","","0.0452","0.0367","","","0.1017","0.1097","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233163","10.603","0.002","9.633","0.0019","32.595","0.007","90","","95.6","0.03","90","","3313.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C152 H176 N16 O8 -","8","2","HB6532","Fang, Rui-Qin; Xiao, Zhu-Ping; Zuo, Yun","(<i>E</i>)-2-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","1","o85","","10.1107/S160053681105197X","","","0.71073","MoKα","","0.1957","0.0815","","","0.2139","0.2679","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233164","6.9475","0.0008","18.596","0.002","17.559","0.002","90","","93.658","0.002","90","","2263.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(7-Fluoro-4-oxo-4<i>H</i>-chromen-3-yl)-3,3,6,6-tetramethyl- 2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthene-1,8-dione","","- C26 H25 F O5 -","- C26 H25 F O5 -","- C104 H100 F4 O20 -","4","1","HB6535","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Fun, Hoong-Kun; Arshad, Suhana","9-(7-Fluoro-4-oxo-4<i>H</i>-chromen-3-yl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2012","68","1","o38","","10.1107/S1600536811051749","","","0.71073","MoKα","","0.085","0.0518","","","0.1304","0.1501","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233165","9.907","0.003","6.793","0.002","22.279","0.003","90","","94.886","0.002","90","","1493.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-oxido-bis[(2-ethoxy-6-{[2-(2- hydroxyethylamino)ethylimino]methyl}phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^)oxidovanadium(V)]","","- C26 H38 N4 O10 V2 -","- C26 H38 N4 O10 V2 -","- C52 H76 N8 O20 V4 -","2","0.5","HB6538","Wang, Fu-Ming","Di-μ-oxido-bis[(2-ethoxy-6-{[2-(2-hydroxyethylamino)ethylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^)oxidovanadium(V)]","Acta Crystallographica Section E","2012","68","1","m26","m27","10.1107/S160053681105094X","","","0.71073","MoKα","","0.0721","0.0554","","","0.159","0.1716","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233166","22.864","0.005","16.6","0.003","13.335","0.003","90","","90","","90","","5061.2","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzyl-4-chloroindoline-2,3-dione","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C240 H160 Cl16 N16 O32 -","16","2","HB6540","Wang, De Cai; Leng, Bo Rong; Wang, Gui Bin; Wei, Ping; Ou-yang, Ping Kai","1-Benzyl-4-chloroindoline-2,3-dione","Acta Crystallographica Section E","2012","68","1","o37","","10.1107/S1600536811051816","","","0.71073","MoKα","","0.171","0.0642","","","0.096","0.1173","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233167","5.4573","0.0011","9.823","0.002","9.94","0.002","73.9","0.03","78.57","0.03","80.4","0.03","498.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Carboxymethyl-1<i>H</i>-indole-4-carboxylic acid","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C22 H18 N2 O8 -","2","1","HB6541","Mao, Shulin","3-Carboxymethyl-1<i>H</i>-indole-4-carboxylic acid","Acta Crystallographica Section E","2012","68","1","o146","","10.1107/S1600536811051865","","","0.71073","MoKα","","0.0599","0.0461","","","0.1216","0.1315","","","","","","0.946","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233168","9.3974","0.0006","5.5167","0.0004","20.0654","0.0013","90","","95.264","0.001","90","","1035.86","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-chloropyrimidin-1-ium hydrogen maleate","","- C8 H8 Cl N3 O4 -","- C8 H8 Cl N3 O4 -","- C32 H32 Cl4 N12 O16 -","4","1","HB6543","Fun, Hoong-Kun; Hemamalini, Madhukar; Rajakannan, Venkatachalam","2-Amino-5-chloropyrimidin-1-ium hydrogen maleate","Acta Crystallographica Section E","2012","68","1","o108","","10.1107/S1600536811051646","","","0.71073","MoKα","","0.0498","0.0377","","","0.1005","0.1094","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233169","9.3125","0.0001","10.0941","0.0001","12.9955","0.0002","91.958","0.001","107.752","0.001","114.465","0.001","1040.67","0.03","100","1","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(4-nitrophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H24 N4 O5 -","- C23 H24 N4 O5 -","- C46 H48 N8 O10 -","2","1","HB6545","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(4-nitrophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","o59","","10.1107/S1600536811052408","","","0.71073","MoKα","","0.0975","0.0694","","","0.1764","0.1971","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233170","6.9962","0.0014","8.9445","0.0018","15.406","0.003","90","","97.97","0.03","90","","954.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(7-Methyl-1<i>H</i>-indol-3-yl)acetonitrile","","- C11 H10 N2 -","- C11 H10 N2 -","- C44 H40 N8 -","4","1","HB6546","Ge, Yu-Hua; Pan, Mei-Ling; Xu, Jian; Luo, Yang-Hui","2-(7-Methyl-1<i>H</i>-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o141","","10.1107/S1600536811053396","","","0.71073","MoKα","","0.0891","0.0546","","","0.136","0.1535","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233171","8.3182","0.0017","13.062","0.003","9.3867","0.0019","90","","101.53","0.03","90","","999.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxy-1<i>H</i>-indol-3-yl)acetonitrile","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","HB6547","Lu, Yong-Hong; Pan, Mei-Ling; Luo, Yang-Hui","2-(4-Methoxy-1<i>H</i>-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o143","","10.1107/S1600536811053360","","","0.71073","MoKα","","0.1322","0.0884","","","0.2619","0.2975","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233172","4.4176","0.0009","11.073","0.002","16.014","0.003","90","","96.63","0.03","90","","778.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Fluoro-1<i>H</i>-indole-3-carboxylic acid","","- C9 H6 F N O2 -","- C9 H6 F N O2 -","- C36 H24 F4 N4 O8 -","4","1","HB6548","Lu, Wen-Jun; Zou, Zhi-Hong; Luo, Yang-Hui","5-Fluoro-1<i>H</i>-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","1","o187","","10.1107/S1600536811053426","","","0.71073","MoKα","","0.095","0.0539","","","0.1188","0.1366","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233173","24.951","0.019","7.733","0.006","7.988","0.006","90","","90","","90","","1541","2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","6-Chloroquinolin-2(1<i>H</i>)-one","","- C9 H6 Cl N O -","- C9 H6 Cl N O -","- C72 H48 Cl8 N8 O8 -","8","1","HB6549","Zhang, Chen-Guang; Luo, Yang-Hui","6-Chloroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","1","o188","","10.1107/S1600536811053359","","","0.71073","MoKα","","0.0375","0.0301","","","0.0818","0.0878","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233174","17.6694","0.0018","15.5299","0.0016","18.0855","0.0019","90","","102.955","0.002","90","","4836.4","0.9","296","2","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione","","- C24 H20 Br F2 N3 O3 S -","- C24 H20 Br F2 N3 O3 S -","- C192 H160 Br8 F16 N24 O24 S8 -","8","1","HB6551","Fun, Hoong-Kun; Ooi, Chin Wei; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","1","o89","","10.1107/S1600536811052330","","","0.71073","MoKα","","0.1213","0.0481","","","0.1273","0.1575","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233175","24.375","0.005","8.5404","0.0017","21.345","0.004","90","","116.9","0.03","90","","3962.6","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Methylammonium tetrafluoroborate‒18-crown-6 (1/1)","Methylammonium tetrafluoroborate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C13 H30 B F4 N O6 -","- C13 H30 B F4 N O6 -","- C104 H240 B8 F32 N8 O48 -","8","1","HB6552","Jin, Yu","Methylammonium tetrafluoridoborate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","1","o225","","10.1107/S1600536811054432","","","0.71073","MoKα","","0.1508","0.0727","","","0.1845","0.2262","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233176","7.5091","0.0015","11.041","0.002","21.38","0.004","90","","90","","90","","1772.6","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Chloro-1<i>H</i>-indol-3-yl)acetonitrile","","- C10 H7 Cl N2 -","- C10 H7 Cl N2 -","- C80 H56 Cl8 N16 -","8","2","HB6554","Pan, Mei-Ling; Li, Xiang; Luo, Yang-Hui","2-(4-Chloro-1<i>H</i>-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o203","","10.1107/S1600536811054079","","","0.71073","MoKα","","0.0796","0.0475","","","0.0984","0.1108","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233177","9.761","0.002","11.205","0.002","8.7791","0.0018","90","","100.39","0.03","90","","944.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(6-Chloro-1<i>H</i>-indol-3-yl)acetonitrile","","- C10 H7 Cl N2 -","- C10 H7 Cl N2 -","- C40 H28 Cl4 N8 -","4","1","HB6557","Li, Jin-Feng; Luo, Yang-Hui","2-(6-Chloro-1<i>H</i>-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o144","","10.1107/S1600536811053372","","","0.71073","MoKα","","0.1466","0.1098","","","0.2875","0.3122","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233178","16.1636","0.0017","9.6538","0.001","12.6887","0.0013","90","","112.844","0.002","90","","1824.7","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-Diaminopyridinium sorbate‒sorbic acid (1/1)","2,3-Diaminopyridinium hexa-2,4-dienoate‒hexa-2,4-dienoic acid (1/1)","","- C17 H23 N3 O4 -","- C17 H23 N3 O4 -","- C68 H92 N12 O16 -","4","1","HB6558","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium sorbate‒sorbic acid (1/1)","Acta Crystallographica Section E","2012","68","1","o186","","10.1107/S1600536811053025","","","0.71073","MoKα","","0.0976","0.0474","","","0.1224","0.1524","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233179","7.2934","0.0015","13.065","0.003","17.902","0.004","90","","90","","90","","1705.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-1<i>H</i>-indole-3-carboxylic acid","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C72 H48 Cl8 N8 O16 -","8","1","HB6559","Han, Xue-Lian; Luo, Yang-Hui","5-Chloro-1<i>H</i>-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","1","o145","","10.1107/S1600536811053384","","","0.71073","MoKα","","0.0468","0.0374","","","0.0986","0.1038","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233180","14.3537","0.0009","7.0069","0.0005","8.2605","0.0005","90","","90","","90","","830.8","0.09","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3,3-Dimethyl-2-benzofuran-1(3<i>H</i>)-one","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","0.5","HB6560","Siddegowda, M. S.; Butcher, Ray J.; Yıldırım, Sema Ozturk; Akkurt, Mehmet; Yathirajan, H. S.; Ramesha, A. R.","3,3-Dimethyl-2-benzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","1","o113","","10.1107/S1600536811052913","","","0.71073","MoKα","","0.068","0.0522","","","0.1244","0.1334","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233181","14.3101","0.0004","9.362","0.0002","10.2697","0.0002","90","","90","","90","","1375.84","0.06","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","2-[((<i>E</i>)-2-{2-[(<i>E</i>)-2- Hydroxybenzylidene]hydrazinecarbonyl}hydrazinylidene)methyl]phenol","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","","HB6561","Bikas, Rahman; Anarjan, Parisa Mahboubi; Ng, Seik Weng; Tiekink, Edward R. T.","2-[((<i>E</i>)-2-{2-[(<i>E</i>)-2-Hydroxybenzylidene]hydrazinecarbonyl}hydrazinylidene)methyl]phenol","Acta Crystallographica Section E","2012","68","1","o193","","10.1107/S1600536811053268","","","1.54178","CuKα","","0.0267","0.0265","","","0.075","0.0751","","","","","","1.1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233182","5.8109","0.0006","37.012","0.004","7.3537","0.0008","90","","95.634","0.002","90","","1573.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-{2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethyl}phthalimide","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","HB6564","Shao, Ying; An, Dong; Zhou, Mi; Liu, Li; Sun, Xiao-Qiang","<i>N</i>-{2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethyl}phthalimide","Acta Crystallographica Section E","2012","68","1","o173","","10.1107/S160053681105327X","","","0.71073","MoKα","","0.0611","0.0568","","","0.158","0.1612","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233183","23.9107","0.0007","11.9395","0.0004","22.0117","0.0007","90","","106.766","0.003","90","","6016.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-<i>n</i>-butylbis(<i>N</i>-ethyl-<i>N</i>-phenyldithiocarbamato- κ<i>S</i>)tin(IV)","","- C26 H38 N2 S4 Sn -","- C26 H38 N2 S4 Sn -","- C208 H304 N16 S32 Sn8 -","8","1","HB6565","Kamaludin, Nurul Farahana; Baba, Ibrahim; Awang, Normah; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","Di-<i>n</i>-butylbis(<i>N</i>-ethyl-<i>N</i>-phenyldithiocarbamato-κ<i>S</i>)tin(IV)","Acta Crystallographica Section E","2012","68","1","m79","m80","10.1107/S160053681105392X","","","0.71073","MoKα","","0.0378","0.0295","","","0.0685","0.0737","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2233184","14.1361","0.0007","32.2264","0.0017","28.9417","0.0016","90","","90.572","0.001","90","","13183.9","1.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]- 2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene","","- C76 H80 O16 -","- C76 H80 O16 -","- C608 H640 O128 -","8","4","HG5129","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]-2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene","Acta Crystallographica Section E","2012","68","1","o97","o98","10.1107/S1600536811051567","","","0.71073","MoKα","","0.0879","0.0561","","","0.1438","0.1624","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233185","24.564","0.005","7.22","0.0014","21.287","0.004","90","","125.04","0.03","90","","3091","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(1-allyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato- κ<i>N</i>)manganese(II)","","- C26 H32 Mn N10 S2 -","- C26 H32 Mn N10 S2 -","- C104 H128 Mn4 N40 S8 -","4","0.5","HG5141","Zhao, Juan; Jin, Yan-Ling","Tetrakis(1-allyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2012","68","1","m9","","10.1107/S1600536811051282","","","0.71073","MoKα","","0.1118","0.0588","","","0.132","0.1615","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233186","4.648","0.003","13.274","0.008","13.69","0.008","106.765","0.007","90.013","0.006","92.7","0.008","807.8","0.9","123.15","","123","2","","","","","","","","5","P -1","-P 1","2","","1-Benzoyl-3-(4-<i>n</i>-butylphenyl)thiourea","","- C18 H20 N2 O S -","- C18 H20 N2 O S -","- C36 H40 N4 O2 S2 -","2","1","HG5142","Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin; Imtiaz-ud-Din","1-Benzoyl-3-(4-<i>n</i>-butylphenyl)thiourea","Acta Crystallographica Section E","2012","68","1","o120","","10.1107/S1600536811051774","","","0.7107","MoKα","","0.051","0.0425","","","0.0986","0.1028","","","","","","1.06","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233187","3.7685","0.0002","27.3441","0.0017","10.1294","0.0008","90","","96.2","0.03","90","","1037.69","0.13","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-Amino-1-(4-nitrophenyl)-1<i>H</i>-pyrazole-3-carbonitrile","","- C10 H7 N5 O2 -","- C10 H7 N5 O2 -","- C40 H28 N20 O8 -","4","1","HG5146","Jiang, Qiang-Hua; He, Qiu; Zhang, Jian-Qiang; Yang, Yang; Wan, Rong","5-Amino-1-(4-nitrophenyl)-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2012","68","1","o65","","10.1107/S1600536811052147","","","0.71073","MoKα","","0.0543","0.0483","","","0.1165","0.1228","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233188","7.733","0.004","8.059","0.004","14.851","0.007","90","","91.416","0.01","90","","925.2","0.8","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2-Hydroxy-3,5-dimethoxyphenyl)ethanone","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","HG5147","Li, Wenming; Li, Xiaobo; Duan, Yuqing; Deng, Zhirong; Wang, Runling","1-(2-Hydroxy-3,5-dimethoxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","1","o116","","10.1107/S1600536811052974","","","0.71073","MoKα","","0.048","0.0348","","","0.0843","0.0906","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233189","20.331","0.009","5.07","0.003","17.58","0.009","90","","108.489","0.008","90","","1718.6","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","(<i>S</i>)-Methyl 2-benzamido-3-(3,4-dimethoxyphenyl)propanoate","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","HG5150","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.","(<i>S</i>)-Methyl 2-benzamido-3-(3,4-dimethoxyphenyl)propanoate","Acta Crystallographica Section E","2012","68","1","o177","","10.1107/S1600536811052767","","","0.71073","MoKα","","0.1413","0.0773","","","0.1801","0.2186","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233190","8.9706","0.0004","9.4967","0.0006","10.558","0.0005","92.5","0.004","97.961","0.004","96.666","0.004","883.13","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane‒ (naphthalen-1-yl)methanol (1/2)","","- C42 H60 N4 O2 -","- C42 H60 N4 O2 -","- C42 H60 N4 O2 -","1","0.5","HG5151","Choi, Jong-Ha; Subhan, Md Abdus; Ryoo, Keon Sang; Ng, Seik Weng","3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane‒(naphthalen-1-yl)methanol (1/2)","Acta Crystallographica Section E","2012","68","1","o102","","10.1107/S160053681105272X","","","0.71073","MoKα","","0.0699","0.049","","","0.112","0.1261","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233191","13.5441","0.0002","14.8971","0.0002","15.0149","0.0002","66.431","0.001","63.921","0.001","65.275","0.001","2383.45","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Benzyl-3-methyl-3',5'-diphenylspiro[quinoxaline-2(1<i>H</i>),2'(3'<i>H</i>)- 1,3,4-thiadiazole]","1-benzyl-3-methyl-3',5'-diphenyl-1<i>H</i>,3'<i>H</i>-spiro[quinoxaline-2,2'- [1,3,4]thiadiazole]","","- C29 H24 N4 S -","- C29 H24 N4 S -","- C116 H96 N16 S4 -","4","2","HG5152","Anothane, Caleb Ahoya; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","1-Benzyl-3-methyl-3',5'-diphenylspiro[quinoxaline-2(1<i>H</i>),2'(3'<i>H</i>)-1,3,4-thiadiazole]","Acta Crystallographica Section E","2012","68","1","o103","","10.1107/S1600536811052731","","","0.71073","MoKα","","0.0705","0.045","","","0.1147","0.1347","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233192","11.421","0.006","7.381","0.004","19.7","0.011","90","","91.832","0.006","90","","1659.8","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-{[2-(4,4,5,5-tetramethyl-1,3-dioxyl- 4,5-dihydroimidazol-2-yl)phenyl]oxy}acetate","","- C16 H21 N2 O5 -","- C16 H21 N2 O5 -","- C64 H84 N8 O20 -","4","1","HG5154","Wang, Hai-Bo; Jing, Lin-Lin; Sun, Xiao-Li","Methyl 2-{[2-(4,4,5,5-tetramethyl-1,3-dioxyl-4,5-dihydroimidazol-2-yl)phenyl]oxy}acetate","Acta Crystallographica Section E","2012","68","1","o217","","10.1107/S1600536811054018","","","0.71073","MoKα","","0.1115","0.06","","","0.1797","0.2194","","","","","","0.946","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233193","10.856","0.001","12.5901","0.0013","13.3741","0.0015","80.278","0.002","66.686","0.001","77.918","0.001","1634","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-fluorobenzyl)bis(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4- thiodiazole-2-thiolato)tin(IV)","","- C30 H22 F2 N4 S6 Sn -","- C30 H22 F2 N4 S6 Sn -","- C60 H44 F4 N8 S12 Sn2 -","2","1","HP2022","Li, Lei; Zeng, Suyuan; Yan, Nana","Bis(4-fluorobenzyl)bis(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiodiazole-2-thiolato)tin(IV)","Acta Crystallographica Section E","2012","68","1","m83","","10.1107/S1600536811054274","","","0.71073","MoKα","","0.1533","0.0598","","","0.083","0.102","","","","","","0.833","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233194","9.932","0.002","19.349","0.004","9.94","0.002","90","","105.16","0.03","90","","1843.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(μ-2-formyl-6-methoxyphenolato- 1:2κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^,<i>O</i>^2^)copper(II)sodium]- μ-tetrafluoridoborate-1:1'κ^2^<i>F</i>:<i>F</i>']","","- C16 H14 B Cu F4 Na O6 -","- C16 H14 B Cu F4 Na O6 -","- C64 H56 B4 Cu4 F16 Na4 O24 -","4","1","HY2490","Yang, Yu; Gao, Po; Yang, Jing-Lin; Hou, Hai-Ge; Gao, Ting","<i>catena</i>-Poly[[bis(μ-2-formyl-6-methoxyphenolato-1:2κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^,<i>O</i>^2^)copper(II)sodium]-μ-tetrafluoridoborate-1:1'κ^2^<i>F</i>:<i>F</i>']","Acta Crystallographica Section E","2012","68","1","m37","","10.1107/S1600536811051713","","","0.71073","MoKα","","0.1308","0.0611","","","0.1196","0.1428","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233195","25.84","0.003","7.8664","0.0008","16.8013","0.0017","90","","112.712","0.001","90","","3150.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ<i>N</i>^1^]nickel(II) decahydrate","","- C18 H40 N6 Ni O18 -","- C18 H40 N6 Ni O18 -","- C72 H160 N24 Ni4 O72 -","4","0.5","HY2491","Sun, Weixuan; Yu, Yaqin; Wang, Guanjun; Wu, Xiaohui","Tetraaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ<i>N</i>^1^]nickel(II) decahydrate","Acta Crystallographica Section E","2012","68","1","m10","","10.1107/S1600536811051063","","","0.71073","MoKα","","0.0697","0.0486","","","0.1077","0.1187","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233196","12.163","0.002","12.785","0.003","14.937","0.003","90","","96.82","0.03","90","","2306.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1,1'-(1,3-phenylenedimethylene)di(1<i>H</i>-imidazol-3-ium)] β-octamolybdate","","- C28 H32 Mo8 N8 O26 -","- C28 H32 Mo8 N8 O26 -","- C56 H64 Mo16 N16 O52 -","2","0.5","HY2492","Wang, Xiao-Dan; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","Bis[1,1'-(1,3-phenylenedimethylene)di(1<i>H</i>-imidazol-3-ium)] β-octamolybdate","Acta Crystallographica Section E","2012","68","1","m50","","10.1107/S1600536811053050","","","0.71073","MoKα","","0.0328","0.0258","","","0.0543","0.057","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233197","6.5327","0.0007","9.7963","0.001","12.2562","0.0012","90","","102.86","0.02","90","","764.68","0.15","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato- κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II)","","- C12 H10 Cu N4 O12 -","- C12 H10 Cu N4 O12 -","- C24 H20 Cu2 N8 O24 -","2","0.5","HY2493","Shi, Fengjuan; Deng, Jiguang; Dai, Hongxing","Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II)","Acta Crystallographica Section E","2012","68","1","m46","","10.1107/S1600536811052949","","","0.71073","MoKα","","0.038","0.0292","","","0.075","0.0772","","","","","","1.04","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233198","9.912","0.003","10.635","0.004","13.286","0.004","68.82","0.02","87.74","0.03","80.16","0.03","1286.3","0.8","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","Bis(tetra-<i>n</i>-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-κ^2^<i>S</i>,<i>S</i>')palladium(II)","","- C44 H72 N10 Pd S4 -","- C44 H72 N10 Pd S4 -","- C44 H72 N10 Pd S4 -","1","0.5","HY2494","Tomura, Masaaki; Yamashita, Yoshiro","Bis(tetra-<i>n</i>-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-κ^2^<i>S</i>,<i>S</i>')palladium(II)","Acta Crystallographica Section E","2012","68","1","m57","","10.1107/S1600536811053402","","","0.7107","MoKα","","0.2713","0.0928","","","0.1631","0.2218","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233199","9.8602","0.0005","20.3681","0.0011","13.1069","0.0007","90","","111.453","0.001","90","","2449.9","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[6-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-2-carboxylato- κ^2^<i>N</i>,<i>O</i>]cobalt(II) dihydrate","","- C26 H20 Co N6 O6 -","- C26 H20 Co N6 O6 -","- C104 H80 Co4 N24 O24 -","4","1","HY2495","Han, Liying; Sun, Dajun","Bis[6-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dihydrate","Acta Crystallographica Section E","2012","68","1","m74","","10.1107/S1600536811053700","","","0.71073","MoKα","","0.0628","0.0492","","","0.1396","0.1501","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233200","10.3913","0.0002","10.6343","0.0002","10.7371","0.0002","86.6909","0.0008","65.5907","0.0007","63.8778","0.0007","958.82","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-ferrocenyl-1-(pyridin-2-ylmethyl)-1<i>H</i>-pyrazole-5-carboxylate","","- C22 H21 Fe N3 O2 -","- C22 H21 Fe N3 O2 -","- C44 H42 Fe2 N6 O4 -","2","1","IM2331","Guzei, Ilia A.; Spencer, Lara C.; Munyaneza, Apollinaire; Darkwa, James","Ethyl 3-ferrocenyl-1-(pyridin-2-ylmethyl)-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","m35","m36","10.1107/S160053681105238X","","","0.71073","MoKα","","0.0262","0.025","","","0.0669","0.0679","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233201","20.888","0.004","7.9112","0.0015","25.197","0.005","90","","90","","90","","4163.8","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]]","","- C16 H12 F I3 N2 Pb -","- C16 H12 F I3 N2 Pb -","- C128 H96 F8 I24 N16 Pb8 -","8","1","IM2337","Zhao, Hai-Rong","<i>catena</i>-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]]","Acta Crystallographica Section E","2012","68","1","m19","","10.1107/S1600536811051853","","","0.71073","MoKα","","0.1488","0.047","","","0.0657","0.0818","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233202","30.5729","0.0006","11.8625","0.0002","19.8975","0.0005","90","","96.732","0.001","90","","7166.5","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{2-[(3,5-Dimethyl-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)(4-nitrophenyl)methyl]-3,5-dimethyl-1<i>H</i>-pyrrol-1-ido-κ<i>N</i>}difluoridoboron","","- C19 H18 B F2 N3 O2 -","- C19 H18 B F2 N3 O2 -","- C304 H288 B16 F32 N48 O32 -","16","2","IM2338","Cui, Ai-Jun; An, Jie; Sun, Fu-An; Hu, Meng; Qin, Jing","{2-[(3,5-Dimethyl-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)(4-nitrophenyl)methyl]-3,5-dimethyl-1<i>H</i>-pyrrol-1-ido-κ<i>N</i>}difluoridoboron","Acta Crystallographica Section E","2012","68","1","o63","","10.1107/S1600536811052196","","","0.71073","MoKα","","0.1137","0.0825","","","0.1716","0.1925","","","","","","1.26","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233203","7.0792","0.0004","13.7006","0.0007","15.3587","0.0009","90","","96.782","0.002","90","","1479.21","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2-Formylphenoxy)methyl]-3-(4-methylphenyl)prop-2-enenitrile","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","IM2342","Manikandan, N.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(<i>E</i>)-2-[(2-Formylphenoxy)methyl]-3-(4-methylphenyl)prop-2-enenitrile","Acta Crystallographica Section E","2012","68","1","o28","","10.1107/S1600536811051415","","","0.71073","MoKα","","0.0804","0.0414","","","0.1053","0.1326","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233204","7.184","0.0014","21.546","0.004","7.907","0.0016","90","","101.62","0.03","90","","1198.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Nitroanilino)benzoic acid","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","IM2343","Zhu, Xiao-Lin; Shi, Lu; Jiang, Peng; Zhu, Tian-Hao; Zhu, Hong-Jun","2-(2-Nitroanilino)benzoic acid","Acta Crystallographica Section E","2012","68","1","o213","","10.1107/S1600536811053529","","","0.71073","MoKα","","0.0923","0.0565","","","0.1347","0.1581","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233205","22.835","0.0006","8.0587","0.0002","25.3653","0.0006","90","","90.9","0.002","90","","4667.2","0.2","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-Anilino-4-methylthiazol-5-yl)(4-chlorophenyl)methanone","","- C17 H13 Cl N2 O S -","- C17 H13 Cl N2 O S -","- C204 H156 Cl12 N24 O12 S12 -","12","3","IM2345","Liu, Jing-Jing; Zheng, Ren-Lin; Yang, Sheng-Yong; Xie, Yong-Mei","(2-Anilino-4-methylthiazol-5-yl)(4-chlorophenyl)methanone","Acta Crystallographica Section E","2012","68","1","o161","","10.1107/S1600536811053463","","","0.7107","MoKα","","0.0732","0.0467","","","0.0969","0.1099","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233206","7.582","0.0001","9.7487","0.0001","17.8588","0.0002","90","","93.1792","0.0018","90","","1318","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5α,6α-Epoxy-7-norcholestan-3β-yl acetate","","- C28 H46 O3 -","- C28 H46 O3 -","- C56 H92 O6 -","2","1","IM2347","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Carvalho, J. F. S.; Cruz Silva, M. M.","5α,6α-Epoxy-7-norcholestan-3β-yl acetate","Acta Crystallographica Section E","2012","68","1","o237","","10.1107/S1600536811054249","","","0.71073","MoKα","","0.105","0.0483","","","0.1114","0.1378","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233207","10.591","0.003","12.359","0.003","9.116","0.003","90","","97.951","0.004","90","","1181.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6'-Bromo-1'<i>H</i>-spiro[cyclohexane-1,2'-pyrido[2,3- <i>d</i>]pyrimidin]-4'(3'<i>H</i>)-one","","- C12 H14 Br N3 O -","- C12 H14 Br N3 O -","- C48 H56 Br4 N12 O4 -","4","1","IS5001","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Li, Jiarong","6'-Bromo-1'<i>H</i>-spiro[cyclohexane-1,2'-pyrido[2,3-<i>d</i>]pyrimidin]-4'(3'<i>H</i>)-one","Acta Crystallographica Section E","2012","68","1","o178","","10.1107/S1600536811052299","","","0.71073","MoKα","","0.0555","0.0345","","","0.0685","0.0739","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233208","7.4121","0.0011","19.24","0.003","9.3096","0.0014","90","","109.051","0.002","90","","1254.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-5-methylbis[1,2,4]triazolo[1,5-<i>a</i>:4',3'-<i>c</i>]quinazoline","","- C13 H12 N6 O -","- C13 H12 N6 O -","- C52 H48 N24 O4 -","4","1","IS5002","Al-Salahi, Rashad; Geffken, Detlef; Bari, Ahmed","2-Ethoxy-5-methylbis[1,2,4]triazolo[1,5-<i>a</i>:4',3'-<i>c</i>]quinazoline","Acta Crystallographica Section E","2012","68","1","o101","","10.1107/S1600536811052810","","","0.71073","MoKα","","0.0989","0.0551","","","0.1162","0.1343","","","","","","0.907","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233209","18.2019","0.0009","10.4667","0.0005","11.0695","0.0006","90","","90","","90","","2108.89","0.18","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4-(butan-2-yl)-7,20-bis(1-hydroxyethyl)-10,23-bis(propan-2-yl)-12,25-dithia- 3,6,9,16,19,22,27,28-octaazatricyclo[22.2.1.1^11,14^]octacosa- 1(26),11(28),13,24(27)-tetraene-2,5,8,15,18,21-hexone acetonitrile monosolvate","","- C34 H51 N9 O8 S2 -","- C34 H51 N9 O8 S2 -","- C68 H102 N18 O16 S4 -","2","0.5","IS5015","Asano, Akiko; Doi, Mitsunobu","The desoxazoline asidiacyclamide analogue <i>cyclo</i>(Gly‒Thr‒D-Val‒Thz‒Ile‒Thr‒D-Val‒Thz) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","1","o54","o55","10.1107/S1600536811051543","","","0.71073","MoKα","","0.0773","0.0746","","","0.2101","0.213","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233210","7.8056","0.0004","11.9034","0.0006","18.9109","0.0009","90","","90","","90","","1757.07","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-6-methoxyphenol","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","IS5016","Hariono, Maywan; Ngah, Nurziana; Wahab, Habibah A.; Abdul Rahim, Aisyah Saad","2-Bromo-4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-6-methoxyphenol","Acta Crystallographica Section E","2012","68","1","o35","o36","10.1107/S1600536811051269","","","0.71073","MoKα","","0.0249","0.0232","","","0.0549","0.0555","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233211","8.8759","0.0005","13.2493","0.0008","13.2891","0.0007","108.496","0.002","90.708","0.002","98.142","0.002","1464.39","0.14","296","","296","","","","","","","","","5","P -1","-P 1","2","Corrphycene","(12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7- dibutanocorrphycenato)copper(II)‒12,17-diethoxycarbonyl-11,18-dimethyl- 2:3,6:7-dibutanocorrphycene (3/97)","","- C36 H37.93 Cu0.03 N4 O4 -","- C36 H37.9316 Cu0.0342 N4 O4 -","- C72 H75.8632 Cu0.0684 N8 O8 -","2","1","IS5019","Ohgo, Yoshiki; Yokoyama, Yuki; Hashizume, Daisuke; Neya, Saburo; Nakamura, Mikio","(12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7-dibutanocorrphycenato)copper(II)‒12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene (3/97)","Acta Crystallographica Section E","2012","68","1","m23","m24","10.1107/S1600536811052214","","","0.71073","MoKα","","0.1389","0.0722","","","0.1986","0.2459","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233212","9.746","0.0008","10.0436","0.0008","12.6072","0.001","85.737","0.001","89.684","0.002","70.238","0.001","1157.91","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(4-hydroxy-3-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate monohydrate","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C48 H58 N6 O12 -","2","1","IS5022","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(4-hydroxy-3-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","1","o87","o88","10.1107/S1600536811052391","","","0.71073","MoKα","","0.082","0.0551","","","0.1629","0.1854","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233213","7.0061","0.0001","20.792","0.0004","10.8956","0.0002","90","","106.063","0.001","90","","1525.2","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[2,4-Bis(naphthalen-1-yl)cyclobutane-1,3-diyl]bis(1-methylpyridinium) diiodide","","- C36 H32 I2 N2 -","- C36 H32 I2 N2 -","- C72 H64 I4 N4 -","2","0.5","IS5025","Chantrapromma, Suchada; Chanawanno, Kullapa; Boonnak, Nawong; Fun, Hoong-Kun","2,2'-[2,4-Bis(naphthalen-1-yl)cyclobutane-1,3-diyl]bis(1-methylpyridinium) diiodide: thermal-induced [2+2] cycloaddition reaction of a heterostilbene","Acta Crystallographica Section E","2012","68","1","o67","o68","10.1107/S1600536811052433","","","0.71073","MoKα","","0.0612","0.0417","","","0.0742","0.0801","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233214","7.09","0.002","9.982","0.003","11.513","0.003","100.872","0.006","96.827","0.004","91.359","0.004","793.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide dimethyl sulfoxide disolvate","","- C8 H17 N3 O3 S4 -","- C8 H17 N3 O3 S4 -","- C16 H34 N6 O6 S8 -","2","1","IS5026","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","<i>N</i>-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2012","68","1","o224","","10.1107/S1600536811054298","","","0.71073","MoKα","","0.048","0.0388","","","","0.117","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233215","9.787","0.004","9.302","0.003","16.657","0.006","90","","93.525","0.003","90","","1513.6","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","","- C15 H21 N2 O5 -","- C15 H21 N2 O5 -","- C60 H84 N8 O20 -","4","1","IS5030","Ma, Hui-Ping; Jing, Lin-Lin; He, Lei; Fan, Peng-Cheng; Jia, Zheng-Ping","2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","Acta Crystallographica Section E","2012","68","1","o218","","10.1107/S1600536811053979","","","0.71073","MoKα","","0.052","0.0376","","","0.0937","0.1034","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233216","8.7132","0.0005","11.9207","0.0007","15.9015","0.0008","90.913","0.002","104.11","0.002","97.677","0.002","1585.44","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridine-4,4'-dicarboxylic acid-κ^2^<i>N</i>,<i>N</i>')chlorido(2,2':6',2''-terpyridyl- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) perchlorate ethanol monosolvate monohydrate","","- C29 H27 Cl2 N5 O10 Ru -","- C29 H27 Cl2 N5 O10 Ru -","- C58 H54 Cl4 N10 O20 Ru2 -","2","1","IS5031","Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.","(2,2'-Bipyridine-4,4'-dicarboxylic acid-κ^2^<i>N</i>,<i>N</i>')chlorido(2,2':6',2''-terpyridyl-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) perchlorate ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","1","m77","m78","10.1107/S1600536811054195","","","0.71073","MoKα","","0.05","0.0399","","","0.1072","0.1122","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233217","15.8554","0.0002","15.3988","0.0002","16.2292","0.0002","90","","90","","90","","3962.43","0.09","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1<i>H</i>-imidazol-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C184 H176 N32 O32 -","8","1","IS5032","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1<i>H</i>-imidazol-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","o247","o248","10.1107/S1600536811054572","","","0.71073","MoKα","","0.0718","0.0508","","","0.1153","0.126","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233218","7.1536","0.0006","8.207","0.0007","13.8259","0.001","74.42","0.007","86.54","0.006","69.186","0.008","730.31","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4,6-Dimethoxypyrimidin-2-yl)-2-(3-methylphenyl)acetamide","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C30 H34 N6 O6 -","2","1","IS5034","Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Narayana, B.","<i>N</i>-(4,6-Dimethoxypyrimidin-2-yl)-2-(3-methylphenyl)acetamide","Acta Crystallographica Section E","2012","68","1","o226","o227","10.1107/S1600536811054493","","","0.71073","MoKα","","0.0574","0.0466","","","0.1238","0.1318","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233219","15.873","0.003","14.057","0.003","11.991","0.002","90","","109.21","0.03","90","","2526.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,6-Dimethylpyrazine-2,3-dicarboxylic acid","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C96 H96 N24 O48 -","12","1.5","JJ2111","Liu, Fu-Hong","5,6-Dimethylpyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section E","2012","68","1","o132","","10.1107/S1600536811052366","","","0.71073","MoKα","","0.0582","0.0493","","","0.1269","0.133","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233220","12.18","0.001","15.6753","0.0013","16.0235","0.0013","90","","90","","90","","3059.3","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","\ Bis[μ-<i>N</i>-(diethylamino-κ<i>N</i>)dimethylsilylanilido- κ^2^<i>N</i>:<i>N</i>]bis[chloridocobalt(II)]","","- C24 H42 Cl2 Co2 N4 Si2 -","- C24 H42 Cl2 Co2 N4 Si2 -","- C96 H168 Cl8 Co8 N16 Si8 -","4","0.5","JJ2112","Chen, Juan","Bis[μ-<i>N</i>-(diethylamino-κ<i>N</i>)dimethylsilylanilido-κ^2^<i>N</i>:<i>N</i>]bis[chloridocobalt(II)]","Acta Crystallographica Section E","2012","68","1","m81","","10.1107/S1600536811054602","","","0.71073","MoKα","","0.1272","0.0716","","","0.1731","0.2267","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233221","7.2854","0.0003","12.4785","0.0005","14.4098","0.0006","90","","98.2","0.004","90","","1296.61","0.09","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromidochlorido{2-[(dimethylamino)methyl]phenyl- κ^2^<i>N</i>,<i>C</i>^1^}tellurium(IV)","","- C9 H12 Br2 Cl N Te -","- C9 H12 Br2 Cl N Te -","- C36 H48 Br8 Cl4 N4 Te4 -","4","1","JJ2114","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Dibromidochlorido{2-[(dimethylamino)methyl]phenyl-κ^2^<i>N</i>,<i>C</i>^1^}tellurium(IV)","Acta Crystallographica Section E","2012","68","1","o215","o216","10.1107/S1600536811054560","","","0.71073","MoKα","","0.0741","0.038","","","0.0491","0.0559","","","","","","0.956","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233222","5.0869","0.001","9.4622","0.0019","32.318","0.007","90","","90","","90","","1555.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one dihydrate","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","KJ2193","Brito, Iván; Bórquez, Jorge; Simirgiotis, Mario; Cárdenas, Alejandro; López-Rodríguez, Matías","4',5-Dihydroxy-7-methoxyflavanone dihydrate","Acta Crystallographica Section E","2012","68","1","o32","o33","10.1107/S1600536811051221","","","0.71073","MoKα","","0.0945","0.0752","","","0.1697","0.1798","","","","","","1.17","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233223","10.3054","0.0004","10.668","0.0004","16.603","0.0005","90","","100.844","0.003","90","","1792.71","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{<i>N</i>-[1-(1<i>H</i>-Benzimidazol-2-yl)ethylidene-κ<i>N</i>^3^]- 3-(1<i>H</i>-imidazol-1-yl)propan-1-amine-κ<i>N</i>}dibromidomercury(II)","","- C15 H17 Br2 Hg N5 -","- C15 H17 Br2 Hg N5 -","- C60 H68 Br8 Hg4 N20 -","4","1","KP2360","Wang, Qing; Fu, Zhong-Ye; Yu, Liang-Min","{<i>N</i>-[1-(1<i>H</i>-Benzimidazol-2-yl)ethylidene-κ<i>N</i>^3^]-3-(1<i>H</i>-imidazol-1-yl)propan-1-amine-κ<i>N</i>}dibromidomercury(II)","Acta Crystallographica Section E","2012","68","1","m44","","10.1107/S1600536811051166","","","0.71073","MoKα","","0.0614","0.0312","","","0.0393","0.041","","","","","","0.93","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233224","12.0562","0.0014","12.115","0.003","13.3198","0.0017","80.773","0.002","74.889","0.001","66.153","0.001","1714.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ- ferrocenecarboxylato)bis[aquabis(ferrocenecarboxylato)methanolerbium(III)] methanol disolvate","","- C70 H74 Er2 Fe6 O18 -","- C70 H74 Er2 Fe6 O18 -","- C70 H74 Er2 Fe6 O18 -","1","0.5","KP2371","Liu, Jianmin; Li, Yuanyuan; Li, Dacheng","Bis(μ-ferrocenecarboxylato)bis[aquabis(ferrocenecarboxylato)methanolerbium(III)] methanol disolvate","Acta Crystallographica Section E","2012","68","1","m6","m7","10.1107/S1600536811051245","","","0.71073","MoKα","","0.0489","0.0326","","","0.0705","0.0809","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233225","18.2082","0.0019","10.6028","0.0011","20.287","0.002","90","","93.003","0.002","90","","3911.2","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4-Di-<i>tert</i>-butyl-6-[(<i>R</i>/<i>S</i>)-1-(3,5-di-<i>tert</i>-butyl-2- hydroxyphenyl)ethyl]phenyl [(1<i>R</i>,4<i>S</i>)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1- yl]methanesulfonate","","- C40 H60 O5 S -","- C40 H60 O5 S -","- C160 H240 O20 S4 -","4","2","KP2372","Wang, Cheng; Wu, Jincai","2,4-Di-<i>tert</i>-butyl-6-[(<i>R</i>/<i>S</i>)-1-(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)ethyl]phenyl [(1<i>R</i>,4<i>S</i>)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate","Acta Crystallographica Section E","2012","68","1","o93","","10.1107/S1600536811052664","","","0.71073","MoKα","","0.1236","0.069","","","0.1755","0.2034","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233226","20.388","0.002","9.9707","0.001","12.5268","0.0012","90","","105.035","0.002","90","","2459.3","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{<i>N</i>'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10- phenanthroline)copper(II) methanol monosolvate","","- C31 H24 Cu N4 O3 -","- C31 H24 Cu N4 O3 -","- C124 H96 Cu4 N16 O12 -","4","1","KP2374","Liu, Bao-Lin; Dong, De-Ming; Hua, Xiu-Yi; Zhu, Jian-Wei","{<i>N</i>'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10-phenanthroline)copper(II) methanol monosolvate","Acta Crystallographica Section E","2012","68","1","m86","","10.1107/S1600536811054316","","","0.71073","MoKα","","0.0794","0.0415","","","0.0814","0.0927","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233227","8.4696","0.0005","12.1662","0.0007","16.986","0.0009","94.423","0.003","100.038","0.003","103.475","0.003","1663.33","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-Methyl 2-[(2-formyl-6-methoxyphenoxy)methyl]-3-phenylacrylate","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","2","KP2375","Anuradha, T.; Sivakumar, G.; Seshadri, P. R.; Bakthadoss, M.","(<i>E</i>)-Methyl 2-[(2-formyl-6-methoxyphenoxy)methyl]-3-phenylacrylate","Acta Crystallographica Section E","2012","68","1","o229","","10.1107/S1600536811054365","","","0.71073","MoKα","","0.0792","0.0436","","","0.1135","0.1367","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233228","14.1637","0.0003","11.2823","0.0003","14.4413","0.0003","90","","98.131","0.002","90","","2284.51","0.09","423","2","423","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Amino-5-(piperidin-1-yl)thiophene-2,4-dicarbonitrile","","- C11 H12 N4 S -","- C11 H12 N4 S -","- C88 H96 N32 S8 -","8","1","KP2376","Al-Adiwish, Wedad M.; Adan, D.; Mohamed Tahir, Mohamed Ibrahim; Yaacob, W.A.; Kassim, Mohammad B.","3-Amino-5-(piperidin-1-yl)thiophene-2,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","1","o138","","10.1107/S1600536811052950","","","1.54178","CuKα","","0.0378","0.0351","","","0.0953","0.0978","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233229","8.7431","0.0017","10.867","0.002","11.412","0.002","90","","100.48","0.03","90","","1066.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(diaquazinc)-μ-3-carboxypyrazine-2-carboxylato- κ^4^<i>N</i>^1^,<i>O</i>^2^;<i>N</i>^4^,<i>O</i>^3^] nitrate]","","- C6 H7 N3 O9 Zn -","- C6 H7 N3 O9 Zn -","- C24 H28 N12 O36 Zn4 -","4","1","KP2377","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[(diaquazinc)-μ-3-carboxypyrazine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^;<i>N</i>^4^,<i>O</i>^3^] nitrate]","Acta Crystallographica Section E","2012","68","1","m75","","10.1107/S1600536811054031","","","0.71073","MoKα","","0.0515","0.0318","","","0.0884","0.0967","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233230","8.7247","0.0017","7.1486","0.0014","11.502","0.002","90","","99.44","0.03","90","","707.7","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridine‒dimethylglyoxime (1/1)","","- C14 H16 N4 O2 -","- C14 H16 N4 O2 -","- C28 H32 N8 O4 -","2","0.5","LD2038","Yang, Yan; Huang, Ziping; Lv, Haitang; Han, Aixia","4,4'-Bipyridine‒dimethylglyoxime (1/1)","Acta Crystallographica Section E","2012","68","1","o242","","10.1107/S1600536811054341","","","0.71073","MoKα","","0.0553","0.0426","","","0.1209","0.1328","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233231","7.3086","0.0002","8.4033","0.0003","11.8705","0.0005","82.5685","0.0018","77.6686","0.0017","71.1469","0.0015","672.58","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5-(3,4-Dimethoxybenzylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","LD2039","Gohain, Mukut; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.","5-(3,4-Dimethoxybenzylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione","Acta Crystallographica Section E","2012","68","1","o179","","10.1107/S1600536811052986","","","0.71073","MoKα","","0.0584","0.0422","","","","0.1132","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233232","10.474","0.006","11.676","0.007","3.674","0.002","90","","90","","90","","449.3","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1<i>H</i>-Imidazol-3-ium-4-carboxylate","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C16 H16 N8 O8 -","4","1","LD2040","Cao, Qiang; Duan, Bao-Rong; Zhu, Bin; Cao, Zhen","1<i>H</i>-Imidazol-3-ium-4-carboxylate","Acta Crystallographica Section E","2012","68","1","o134","o135","10.1107/S1600536811052998","","","0.71073","MoKα","","0.0323","0.0293","","","0.0786","0.0827","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233233","5.7224","0.0003","10.5839","0.0005","16.8532","0.001","90","","90","","90","","1020.72","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(3<i>S</i>)-5-Oxooxolan-3-yl]isoindoline-1,3-dione","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","LH5369","Wang, Hui; Liu, Changlu; Luo, Feihua","2-[(3<i>S</i>)-5-Oxooxolan-3-yl]isoindoline-1,3-dione","Acta Crystallographica Section E","2012","68","1","o24","","10.1107/S160053681105135X","","","0.71073","MoKα","","0.0311","0.0284","","","0.0708","0.0728","","","","","","1.203","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233234","11.341","0.002","11.669","0.002","11.748","0.002","90","","90","","90","","1554.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(4-Hydroxybenzylidene)ferrocene-1-carbohydrazide","","- C18 H16 Fe N2 O2 -","- C18 H16 Fe N2 O2 -","- C72 H64 Fe4 N8 O8 -","4","1","LH5370","Li, Wen-juan; Song, Manman; Xu, Yan","<i>N</i>'-(4-Hydroxybenzylidene)ferrocene-1-carbohydrazide","Acta Crystallographica Section E","2012","68","1","m8","","10.1107/S1600536811050835","","","0.71073","MoKα","","0.0567","0.0466","","","0.0905","0.0965","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233235","10.578","0.007","11.394","0.007","12.217","0.007","72.195","0.006","73.525","0.006","72.975","0.006","1309.7","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6,6'-Di-<i>tert</i>-butyl-4,4'-dimethyl-2,2'-[1,2- phenylenebis(nitrilomethanylylidene)]diphenol","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","1","LH5371","Ding, Rui-Fang; Wang, Qi-Bao; Wen, Xin-Min","6,6'-Di-<i>tert</i>-butyl-4,4'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","1","o40","","10.1107/S1600536811051257","","","0.71073","MoKα","","0.1081","0.0752","","","0.25","0.2706","","","","","","1.132","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233236","5.6476","0.0002","15.1045","0.0009","11.2556","0.0006","90","","99.993","0.003","90","","945.58","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Carbamoylquinoxalin-1-ium chloride","","- C9 H8 Cl N3 O -","- C9 H8 Cl N3 O -","- C36 H32 Cl4 N12 O4 -","4","1","LH5381","Harper, James K.; Strobel, Gary; Arif, Atta M.","3-Carbamoylquinoxalin-1-ium chloride","Acta Crystallographica Section E","2012","68","1","o79","o80","10.1107/S1600536811052457","","","0.71073","MoKα","","0.0453","0.0337","","","0.0792","0.0849","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233237","7.8515","0.0004","17.8264","0.0006","8.6872","0.0004","90","","109.79","0.005","90","","1144.08","0.09","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,3,4-Trifluorophenyl)morpholine-4-carboxamide","","- C11 H11 F3 N2 O2 -","- C11 H11 F3 N2 O2 -","- C44 H44 F12 N8 O8 -","4","1","LH5385","Jie, Li; Shuchen, Pei; Li, Hai; Yong, Wu","<i>N</i>-(2,3,4-Trifluorophenyl)morpholine-4-carboxamide","Acta Crystallographica Section E","2012","68","1","o13","","10.1107/S1600536811051300","","","0.7107","MoKα","","0.0552","0.0409","","","0.0925","0.1029","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233238","11.0687","0.0018","9.7888","0.0014","25.776","0.004","90","","94.16","0.019","90","","2785.5","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(4-hydroxypyridine-2,6- dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zincate(II) 2.35-hydrate","","- C28 H24.7 N4 O12.35 Zn -","- C28 H24.7 N4 O12.35 Zn -","- C112 H98.8 N16 O49.4 Zn4 -","4","1","LH5386","Derikvand, Zohreh; Stoeckli-Evans, Helen; Nemati, Andya","2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(4-hydroxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zincate(II) 2.35-hydrate: a proton-transfer compound","Acta Crystallographica Section E","2012","68","1","m31","m32","10.1107/S1600536811052445","","","0.71073","MoKα","","0.08","0.0387","","","0.072","0.081","","","","","","0.82","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233239","10.374","0.002","19.624","0.004","15.576","0.004","90","","100.065","0.0013","90","","3122.1","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","<i>cyclo</i>-(Met-Leu-Ile-Pro-Pro-Phe-Phe-Val-Ile)","Cyclolinopeptide B methanol trisolvate","","- C59 H95 N9 O12 S -","- C59 H95 N9 O12 S -","- C118 H190 N18 O24 S2 -","2","1","LH5387","Schatte, Gabriele; Labiuk, Shaunivan; Li, Bonnie; Burnett, Peta-Gaye; Reaney, Martin; Grochulski, Pawel; Fodje, Michel; Yang, Jian; Sammynaiken, Ramaswami","Cyclolinopeptide B methanol trisolvate","Acta Crystallographica Section E","2012","68","1","o50","o51","10.1107/S1600536811051488","","","0.68878","synchrotron","","0.0601","0.0484","","","0.102","0.1156","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233240","8.2538","0.001","9.0431","0.0009","10.3323","0.0012","73.484","0.009","71.728","0.011","83.234","0.009","701.75","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Ethyl-<i>N</i>-methyl-3-nitro-4-nitromethyl-4<i>H</i>-chromen-2-amine","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","LH5388","Muthukumaran, J.; Parthiban, A.; Surya Prakash Rao, H.; Krishna, R.","6-Ethyl-<i>N</i>-methyl-3-nitro-4-nitromethyl-4<i>H</i>-chromen-2-amine","Acta Crystallographica Section E","2012","68","1","o180","o181","10.1107/S1600536811053554","","","0.71073","MoKα","","0.1145","0.0734","","","0.2115","0.2324","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233241","7.895","0.002","8.512","0.002","19.884","0.005","90","","90","","90","","1336.2","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chloro-1-[4-(2,4-difluorobenzyl)piperazin-1-yl]ethanone","","- C13 H15 Cl F2 N2 O -","- C13 H15 Cl F2 N2 O -","- C52 H60 Cl4 F8 N8 O4 -","4","1","LH5389","Zhang, Bo; Damu, Guri L. V.; Lv, Jing-Song; Zhou, Cheng-He","2-Chloro-1-[4-(2,4-difluorobenzyl)piperazin-1-yl]ethanone","Acta Crystallographica Section E","2012","68","1","o70","","10.1107/S1600536811052597","","","0.71073","MoKα","","0.0322","0.031","","","0.0847","0.0858","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233242","5.243","0.0006","8.297","0.0008","14.5656","0.0015","94.33","0.005","98.387","0.006","92.292","0.005","624.22","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1<i>H</i>-1,2,4-Triazol-4-ium (3,4-dichlorophenyl)methanesulfonate","","- C9 H9 Cl2 N3 O3 S -","- C9 H9 Cl2 N3 O3 S -","- C18 H18 Cl4 N6 O6 S2 -","2","1","LH5392","Zhang, Ling; Damu, Guri L. V.; Lv, Jing-Song; Geng, Rong-Xia; Zhou, Cheng-He","1<i>H</i>-1,2,4-Triazol-4-ium (3,4-dichlorophenyl)methanesulfonate","Acta Crystallographica Section E","2012","68","1","o131","","10.1107/S1600536811053062","","","0.71073","MoKα","","0.0475","0.0438","","","0.12","0.1244","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233243","11.6772","0.0009","6.9524","0.0004","11.8244","0.0009","90","","102.16","0.002","90","","938.42","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C19 H29 N O6 -","- C19 H29 N O6 -","- C38 H58 N2 O12 -","2","1","LH5393","Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Mellouki, Fouad; Berraho, Moha","10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","1","o167","o168","10.1107/S1600536811053207","","","0.71073","MoKα","","0.0578","0.0435","","","0.1014","0.1101","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233244","13.04","0.003","13.228","0.003","20.602","0.004","90","","90","","90","","3553.7","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Fe N4 -","- C34 H36 Cl2 Fe N4 -","- C136 H144 Cl8 Fe4 N16 -","4","1","LH5395","Zhang, Yanyu; Wu, Qiaolin; Mu, Ying","{(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis[2-(<i>N</i>-methylanilino)benzylidene]cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}dichloridoiron(II)","Acta Crystallographica Section E","2012","68","1","m64","","10.1107/S1600536811053773","","","0.71073","MoKα","","0.0489","0.0368","","","0.0881","0.0925","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233245","13.3333","0.0004","15.9424","0.0005","9.9965","0.0003","90","","104.736","0.001","90","","2055.01","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{4,4'-Dimethyl-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) monohydrate","","- C21 H26 N2 Ni O3 -","- C21 H26 N2 Ni O3 -","- C84 H104 N8 Ni4 O12 -","4","0.5","LH5396","Kargar, Hadi; Kia, Reza; Sharafi, Zahra; Tahir, Muhammad Nawaz","{4,4'-Dimethyl-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) monohydrate","Acta Crystallographica Section E","2012","68","1","m82","","10.1107/S1600536811054262","","","0.71073","MoKα","","0.0418","0.0311","","","0.0773","0.0827","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233246","15.889","0.003","3.8242","0.0008","18.204","0.004","90","","108.18","0.03","90","","1050.9","0.4","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>Z</i>)-Methyl 3-(2,4-dichlorophenyl)-3-hydroxyacrylate","","- C10 H8 Cl2 O3 -","- C10 H8 Cl2 O3 -","- C40 H32 Cl8 O12 -","4","1","LR2037","Xu, Le-Xing; Bai, Xiao-Guang; Wang, Ju-Xian; Wang, Yu-Cheng","(<i>Z</i>)-Methyl 3-(2,4-dichlorophenyl)-3-hydroxyacrylate","Acta Crystallographica Section E","2012","68","1","o4","","10.1107/S1600536811051014","","","0.71073","MoKα","","0.0379","0.0343","","","0.0838","0.0855","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233247","9.154","0.002","7.994","0.0019","10.59","0.002","90","","106.04","0.003","90","","744.8","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)aquacopper(II)]-μ- 5-(pyridin-3-yl)pyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^5^]","","- C13 H15 Cu N3 O5 -","- C13 H15 Cu N3 O5 -","- C26 H30 Cu2 N6 O10 -","2","1","LX2203","Sun, Ju-Feng; Hou, Gui-Ge; Dai, Xian-Ping","<i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)aquacopper(II)]-μ-5-(pyridin-3-yl)pyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section E","2012","68","1","m91","","10.1107/S160053681105481X","","","0.71073","MoKα","","0.0521","0.0504","","","0.1165","0.1177","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233248","4.9988","0.0006","25.617","0.003","7.1844","0.0008","90","","97.709","0.01","90","","911.68","0.18","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Dibromomethyl)benzoic acid","","- C8 H6 Br2 O2 -","- C8 H6 Br2 O2 -","- C32 H24 Br8 O8 -","4","1","LX2208","Lin, Hong-Yi; Fang, Sin-Kai; Chen, Kew-Yu","2-(Dibromomethyl)benzoic acid","Acta Crystallographica Section E","2012","68","1","o109","","10.1107/S1600536811052858","","","0.71073","MoKα","","0.1645","0.0908","","","0.1992","0.2268","","","","","","1.125","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233249","9.7559","0.0006","12.4035","0.0007","16.5543","0.001","98.87","0.001","104.717","0.001","93.559","0.001","1903.5","0.2","223","","223","","","","","","","","","7","P -1","-P 1","2","","aquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)[4'-(4-pyridyl)-2,2':6',2''- terpyridine]ytterbium(III) chloride methanol monosolvate monohydrate","","- C31 H24 Cl F12 N4 O7 Yb -","- C31 H24 Cl F12 N4 O7 Yb -","- C62 H48 Cl2 F24 N8 O14 Yb2 -","2","1","MW2026","Okawara, Toru; Feng, Jiang; Abe, Masaaki; Hisaeda, Yoshio","Aquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)[4'-(4-pyridyl)-2,2':6',2''-terpyridine]ytterbium(III) chloride methanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","1","m29","m30","10.1107/S1600536811052378","","","0.71073","MoKα","","0.0463","0.0362","","","0.0765","0.0807","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233250","10.46","0.006","14.434","0.008","19.908","0.012","90","","90","","90","","3006","3","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido- di-μ~2~-iodido-tetracopper(I)","","- C20 H16 Cu4 I4 N4 S4 -","- C20 H16 Cu4 I4 N4 S4 -","- C80 H64 Cu16 I16 N16 S16 -","4","0.5","MW2029","Wang, Yu-Hong; Zhu, Xue-Hua","Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido-di-μ~2~-iodido-tetracopper(I)","Acta Crystallographica Section E","2012","68","1","m18","","10.1107/S160053681105152X","","","0.71075","MoKα","","0.0601","0.0482","","","0.0823","0.0874","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233251","5.5205","0.0001","8.6077","0.0002","9.565","0.0002","79.75","0.001","89.509","0.001","85.083","0.001","445.607","0.016","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-[(<i>E</i>)-3-(Hydroxyimino)butan-2-ylidene]-<i>N</i>- methylhydrazinecarbothioamide","","- C6 H12 N4 O S -","- C6 H12 N4 O S -","- C12 H24 N8 O2 S2 -","2","1","MW2038","Abduelftah, Halema Shaban; Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun","(<i>E</i>)-2-[(<i>E</i>)-3-(Hydroxyimino)butan-2-ylidene]-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","1","o184","","10.1107/S1600536811053621","","","0.71073","MoKα","","0.036","0.031","","","0.0766","0.0811","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233252","7.6227","0.0018","10.136","0.002","14.272","0.003","90","","101.998","0.004","90","","1078.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2-Formylthiophen-3-yl)(hydroxy)methyl]thiophene-2-carbaldehyde","","- C11 H8 O3 S2 -","- C11 H8 O3 S2 -","- C44 H32 O12 S8 -","4","1","MW2040","Sun, Lili; Li, Guijuan; Su, Qing","3-[(2-Formylthiophen-3-yl)(hydroxy)methyl]thiophene-2-carbaldehyde","Acta Crystallographica Section E","2012","68","1","o182","","10.1107/S1600536811052500","","","0.71073","MoKα","","0.0501","0.0407","","","0.094","0.1","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233253","10.7922","0.0003","14.7253","0.0006","16.9352","0.0006","90","","97.383","0.003","90","","2669","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato)- 1:2κ^3^<i>S</i>,<i>S</i>':<i>S</i>';2:1κ^3^<i>S</i>,<i>S</i>':<i>S</i>'- bis[(<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')cadmium]","","- C52 H48 Cd2 N4 O4 S8 -","- C52 H48 Cd2 N4 O4 S8 -","- C104 H96 Cd4 N8 O8 S16 -","2","0.5","NC2254","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Valarmathi, P.; Thirumaran, S.","Bis(μ-<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato)-1:2κ^3^<i>S</i>,<i>S</i>':<i>S</i>';2:1κ^3^<i>S</i>,<i>S</i>':<i>S</i>'-bis[(<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium]","Acta Crystallographica Section E","2012","68","1","m12","m13","10.1107/S1600536811051348","","","0.71073","MoKα","","0.0375","0.0289","","","0.0633","0.0673","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233254","17.7065","0.0007","8.7806","0.0006","20.6171","0.0008","90","","122.276","0.005","90","","2710.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Bis(4-methylpiperazine-1-carbodithioato- κ^2^<i>S</i>,<i>S</i>')bis(pyridine-κ<i>N</i>)cadmium","","- C22 H32 Cd N6 S4 -","- C22 H32 Cd N6 S4 -","- C88 H128 Cd4 N24 S16 -","4","0.5","NC2258","Valarmathi, P.; Thirumaran, S.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","<i>cis</i>-Bis(4-methylpiperazine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-κ<i>N</i>)cadmium","Acta Crystallographica Section E","2012","68","1","m89","","10.1107/S1600536811054791","","","0.71073","MoKα","","0.0333","0.0261","","","0.0525","0.0567","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233255","12.386","0.0016","6.8331","0.0008","24.113","0.003","90","","97.05","0.003","90","","2025.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexyl[4-(dimethylamino)phenyl]phosphine selenide","","- C20 H32 N P Se -","- C20 H32 N P Se -","- C80 H128 N4 P4 Se4 -","4","1","NC2259","Phasha, Zanele H.; Makhoba, Sizwe; Muller, Alfred","Dicyclohexyl[4-(dimethylamino)phenyl]phosphine selenide","Acta Crystallographica Section E","2012","68","1","o243","","10.1107/S1600536811054006","","","0.71073","MoKα","","0.0338","0.0244","","","","0.0629","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233256","9.3483","0.0007","10.2256","0.0009","10.908","0.0009","71.832","0.005","88.309","0.005","78.248","0.005","969.32","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3'-[Hydroxy(4-oxo-4<i>H</i>-chromen-3-yl)methyl]-2-oxospiro[indoline-3,2'- pyrrolidine]-3'-carbonitrile","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C46 H38 N6 O8 -","2","1","NK2121","Govindan, E.; SakthiMurugesan, K.; SubbiahPandi, A.; Yuvaraj, P.; Reddy, Boreddy S. R.","3'-[Hydroxy(4-oxo-4<i>H</i>-chromen-3-yl)methyl]-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","Acta Crystallographica Section E","2012","68","1","o136","o137","10.1107/S1600536811053098","","","0.71073","MoKα","","0.0659","0.0389","","","0.0903","0.1061","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233257","9.0521","0.0013","9.0521","0.0013","52.47","0.011","90","","90","","120","","3723.4","1.1","188","2","188","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","<i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')- zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>']","","- C22 H27 N5 O6 Zn2 -","- C22 H27 N5 O6 Zn2 -","- C132 H162 N30 O36 Zn12 -","6","1","NK2124","Rodriguez, Mark A.; Sava, Dorina F.; Nenoff, Tina M.","<i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')-zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2012","68","1","m59","m60","10.1107/S1600536811053177","","","0.71073","MoKα","","0.0318","0.0287","","","0.0575","0.0586","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233258","7.4655","0.0002","13.682","0.0004","10.5348","0.0003","90","","109.38","0.001","90","","1015.08","0.05","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5',11'-Dihydrodispiro[cyclohexane-1,6'-indolo[3,2-<i>b</i>]carbazole-12',1''-cyclohexane]","","- C28 H30 N2 -","- C28 H30 N2 -","- C56 H60 N4 -","2","0.5","NK2127","Guzei, Ilia A.; Spencer, Lara C.; Codner, Eric; Boehm, Joshua M.","5',11'-Dihydrodispiro[cyclohexane-1,6'-indolo[3,2-<i>b</i>]carbazole-12',1''-cyclohexane]","Acta Crystallographica Section E","2012","68","1","o1","o2","10.1107/S1600536811051208","","","1.54178","CuKα","","0.0418","0.0411","","","0.1121","0.113","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233259","11.926","0.005","11.025","0.005","18.508","0.005","90","","97.271","0.005","90","","2413.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan- 7-yl}-4-methoxybenzenesulfonamide","","- C23 H26 F N3 O6 S -","- C23 H26 F N3 O6 S -","- C92 H104 F4 N12 O24 S4 -","4","1","PK2365","Vinduvahini, M.; Jeyaseelan, S.; Shylajakumari, J.; Revanasiddappa, H. D.; Devaru, Venkatesh B.","<i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl}-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2012","68","1","o194","o195","10.1107/S1600536811053980","","","0.71073","MoKα","","0.054","0.0405","","","0.1132","0.1207","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233260","9.7545","0.0005","15.0283","0.0008","10.4785","0.0005","90","","94.064","0.003","90","","1532.22","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(morpholin-4-ium) tetrachloridocobalt(II)","","- C8 H20 Cl4 Co N2 O2 -","- C8 H20 Cl4 Co N2 O2 -","- C32 H80 Cl16 Co4 N8 O8 -","4","1","PK2366","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Wen, Yuh-Sheng; Peng, Shie-Ming","Bis(morpholin-4-ium) tetrachloridocobalt(II)","Acta Crystallographica Section E","2012","68","1","m51","","10.1107/S1600536811053128","","","0.71073","MoKα","","0.0531","0.0302","","","0.0523","0.0586","","","","","","0.886","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233261","9.6237","0.0007","6.6547","0.0004","12.0503","0.0008","90","","105.794","0.002","90","","742.6","0.09","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-3-Acetyl-3-[(<i>R</i>)-1-(4-bromophenyl)-2-nitroethyl]oxolan-2-one","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","1","PK2367","Wang, Yifeng; Chen, Ruxiang; Li, Zhaobo; Xu, Danqian","(<i>S</i>)-3-Acetyl-3-[(<i>R</i>)-1-(4-bromophenyl)-2-nitroethyl]oxolan-2-one","Acta Crystallographica Section E","2012","68","1","o110","","10.1107/S1600536811051725","","","0.71073","MoKα","","0.0876","0.0328","","","0.0655","0.1039","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233262","12.218","0.004","12.339","0.004","16.983","0.005","90","","95.651","0.005","90","","2547.9","1.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,4,6-Trimethylphenyl)boronic acid‒triphenylphosphine oxide (1/1)","","- C27 H28 B O3 P -","- C27 H28 B O3 P -","- C108 H112 B4 O12 P4 -","4","1","PK2368","Roşca, Sorin; Olaru, Marian; Raţ, Ciprian I.","(2,4,6-Trimethylphenyl)boronic acid‒triphenylphosphine oxide (1/1)","Acta Crystallographica Section E","2012","68","1","o31","","10.1107/S1600536811051609","","","0.71073","MoKα","","0.102","0.083","","","","0.186","","","","","","1.19","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233263","8.8461","0.0001","29.1869","0.0005","20.6963","0.0003","90","","93.578","0.001","90","","5333.17","0.13","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis(tetraphenylphosphonium) bis[<i>N</i>-(trifluoromethylsulfonyl)dithiocarbimato(2-)- κ^2^<i>S</i>,<i>S</i>']zincate(II)","","- C52 H40 F6 N2 O4 P2 S6 Zn -","- C52 H40 F6 N2 O4 P2 S6 Zn -","- C208 H160 F24 N8 O16 P8 S24 Zn4 -","4","1","PK2371","Pinto, Paula S.; Rubinger, Mayura M. M.; Guilardi, Silvana; Paixão, Drielly A.; Oliveira, Marcelo R. L.","Bis(tetraphenylphosphonium) bis[<i>N</i>-(trifluoromethylsulfonyl)dithiocarbimato(2{-})-κ^2^<i>S</i>,<i>S</i>']zincate(II)","Acta Crystallographica Section E","2012","68","1","m33","m34","10.1107/S160053681105207X","","","0.71073","MoKα","","0.0857","0.0578","","","","0.1689","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233264","8.6206","0.001","8.8748","0.001","17.799","0.002","90","","94.972","0.001","90","","1356.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Chloro-<i>N</i>-[4-(methylsulfonyl)benzylidene]aniline","","- C14 H12 Cl N O2 S -","- C14 H12 Cl N O2 S -","- C56 H48 Cl4 N4 O8 S4 -","4","1","PK2372","Chen, Yue-Hu; Wang, Fang; Li, Guo-Qiang; Qian, Shao-Song","(<i>E</i>)-4-Chloro-<i>N</i>-[4-(methylsulfonyl)benzylidene]aniline","Acta Crystallographica Section E","2012","68","1","o166","","10.1107/S160053681105361X","","","0.71073","MoKα","","0.0527","0.0384","","","0.0988","0.1104","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233265","8.226","0.002","9.282","0.003","9.744","0.003","92.124","0.005","104.766","0.005","105.294","0.004","689.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C28 H28 Cl2 N6 O2 -","2","1","PK2373","Helliwell, Madeleine; Baradarani, Mehdi M.; Alyari, Maryam; Afghan, Arash; Joule, John A.","2-(4-Chloro-3,3,7-trimethyl-2,3-dihydro-1<i>H</i>-indol-2-ylidene)-2-cyanoacetamide","Acta Crystallographica Section E","2012","68","1","o234","","10.1107/S1600536811053918","","","0.71073","MoKα","","0.113","0.0653","","","0.1173","0.132","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233266","9.0727","0.0006","6.253","0.0004","7.415","0.0005","90","","116.739","0.004","90","","375.68","0.04","293","2","293","2","","","","","","","Mapimi, Durango, Mexico","6","C 1 2/m 1","-C 2y","12","Lotharmeyerite","calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate)","Lotharmeyerite","- As2 Ca H3 Mn0.976 O10 Zn1.024 -","- As2 Ca H3 Mn0.976 O10 Zn1.024 -","- As4 Ca2 H6 Mn1.952 O20 Zn2.048 -","2","0.25","PK2375","Yang, Yongbo W.; Evans, Stanley H.; Downs, Robert T.; Yang, Hexiong","Lotharmeyerite, Ca(Zn,Mn)~2~(AsO~4~)~2~(H~2~O,OH)~2~","Acta Crystallographica Section E","2012","68","1","i9","i10","10.1107/S1600536811054286","","","0.71073","MoKα","","0.0241","0.0188","","","0.0395","0.0448","","","","","","0.907","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:40",""
"2233267","6.4514","0.0006","7.0287","0.0007","23.847","0.002","90","","95.967","0.009","90","","1075.48","0.17","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{2-[(Dimethylamino)methyl]phenyl}tellurenyl chloride","Chlorido{2-[(dimethylamino)methyl]phenyl-κ^2^<i>N</i>,<i>C</i>^1^}tellurium","","- C9 H12 Cl N Te -","- C9 H12 Cl N Te -","- C36 H48 Cl4 N4 Te4 -","4","1","PK2376","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Chlorido{2-[(dimethylamino)methyl]phenyl-κ^2^<i>N</i>,<i>C</i>^1^}tellurium","Acta Crystallographica Section E","2012","68","1","o214","","10.1107/S1600536811054328","","","0.71073","MoKα","","0.0544","0.0429","","","0.0932","0.0961","","","","","","1.2","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233268","8.616","0.009","9.69","0.011","18.29","0.02","90","","97.631","0.011","90","","1513","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[(3,5-Dimethylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","PK2377","Yang, Zhong-Ming; Su, Deng-Cheng; Zhu, Hai-Liang","(<i>E</i>)-4-[(3,5-Dimethylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","Acta Crystallographica Section E","2012","68","1","o220","","10.1107/S1600536811054407","","","0.71073","MoKα","","0.0984","0.0464","","","0.12","0.1397","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233269","13.077","0.003","7.939","0.0016","16.673","0.003","90","","101.95","0.03","90","","1693.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Chloro-1-methylindoline-2,3-dione","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C72 H48 Cl8 N8 O16 -","8","1","PV2487","Liu, Hua Quan; Tang, Wei; Wang, De Cai; Ou-yang, Ping Kai","6-Chloro-1-methylindoline-2,3-dione","Acta Crystallographica Section E","2012","68","1","o14","","10.1107/S1600536811051294","","","0.71073","MoKα","","0.0516","0.0397","","","0.1098","0.1184","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233270","3.99","0.0008","9.862","0.002","10.006","0.002","61.57","0.03","83.84","0.03","87.45","0.03","344.24","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Bromo-<i>N</i>-methylpyrimidin-2-amine","","- C5 H6 Br N3 -","- C5 H6 Br N3 -","- C10 H12 Br2 N6 -","2","1","PV2488","Yang, Qi; Xu, Ning; Zhu, Kai; Lv, Xiaoping; Han, Ping-fang","5-Bromo-<i>N</i>-methylpyrimidin-2-amine","Acta Crystallographica Section E","2012","68","1","o111","","10.1107/S1600536811051531","","","0.71073","MoKα","","0.1171","0.0556","","","0.0882","0.1004","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233271","7.9905","0.0002","22.2076","0.0006","15.7378","0.0004","90","","102.913","0.002","90","","2722.04","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(2-Nitrophenyl)-1-{1-phenylsulfonyl-2-[(phenylsulfonyl)methyl]- 1<i>H</i>-indol-3-yl}prop-2-en-1-one","","- C30 H22 N2 O7 S2 -","- C30 H22 N2 O7 S2 -","- C120 H88 N8 O28 S8 -","4","1","PV2489","Karthikeyan, S.; Sethusankar, K.; Rajeswaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","(<i>E</i>)-3-(2-Nitrophenyl)-1-{1-phenylsulfonyl-2-[(phenylsulfonyl)methyl]-1<i>H</i>-indol-3-yl}prop-2-en-1-one","Acta Crystallographica Section E","2012","68","1","o9","","10.1107/S1600536811051026","","","0.71073","MoKα","","0.0847","0.0577","","","0.1614","0.1859","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233272","7.2464","0.0014","14.416","0.003","21.27","0.004","90","","90","","90","","2222","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-nitrobiphenyl","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","PV2490","Chao, Xuqiang; Zhang, Xiuqin; Wang, Kai; Ji, Jun; Chen, Qiang","4-Methoxy-3-nitrobiphenyl","Acta Crystallographica Section E","2012","68","1","o114","","10.1107/S1600536811052846","","","0.71073","MoKα","","0.0561","0.0473","","","0.1279","0.134","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233273","7.489","0.0015","14.825","0.003","7.314","0.0015","90","","90.27","0.03","90","","812","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-methylindoline-2,3-dione","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","PV2493","Yu, Jian Guang; Tang, Wei; Wang, De Cai; Xu, Hong","4-Chloro-1-methylindoline-2,3-dione","Acta Crystallographica Section E","2012","68","1","o219","","10.1107/S1600536811054171","","","0.71073","MoKα","","0.1042","0.0599","","","0.1317","0.1545","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233274","6.6986","0.0015","10.6222","0.0014","23.989","0.004","90","","90","","90","","1706.9","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium dicyanidoargentate","","- C13 H20 Ag Br N4 -","- C13 H20 Ag Br N4 -","- C52 H80 Ag4 Br4 N16 -","4","1","QK2020","Mallah, Eyad; Sweidan, Kamal; Abu-Salem, Qutaiba; Abu Dayyih, Wael; Steimann, Manfred","2-Bromo-1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium dicyanidoargentate","Acta Crystallographica Section E","2012","68","1","m17","","10.1107/S1600536811051828","","","0.71073","MoKα","","0.1664","0.0517","","","0.066","0.0823","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233275","11.9828","0.0012","30.802","0.003","9.5516","0.0011","90","","105.895","0.006","90","","3390.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trimethylammonium 2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate","","- C13 H14 N6 O9 -","- C13 H14 N6 O9 -","- C104 H112 N48 O72 -","8","2","QK2022","Kalaivani, D.; Buvaneswari, M.; Rajeswari, S.","Trimethylammonium 2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate","Acta Crystallographica Section E","2012","68","1","o29","o30","10.1107/S1600536811051610","","","0.71073","MoKα","","0.064","0.0455","","","0.1111","0.1229","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233276","9.6973","0.0002","12.2804","0.0002","22.8523","0.0004","90.588","0.002","101.573","0.002","110.687","0.002","2484.39","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(<i>N</i>-Ethyl-<i>N</i>-phenyldithiocarbamato-κ<i>S</i>)triphenyltin(IV)","","- C27 H25 N S2 Sn -","- C27 H25 N S2 Sn -","- C108 H100 N4 S8 Sn4 -","4","2","QM2044","Kamaludin, Nurul Farahana; Baba, Ibrahim; Awang, Normah; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(<i>N</i>-Ethyl-<i>N</i>-phenyldithiocarbamato-κ<i>S</i>)triphenyltin(IV)","Acta Crystallographica Section E","2012","68","1","m62","m63","10.1107/S1600536811053591","","","0.71073","MoKα","","0.0253","0.0217","","","0.0531","0.0551","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233277","7.9063","0.0016","10.212","0.002","12.147","0.002","94.68","0.03","104.33","0.03","92.98","0.03","944.4","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-\ 1':1κ^3^<i>O</i>:<i>O</i>,<i>O</i>';1:1''κ^3^<i>O</i>,<i>O</i>':<i>O</i>] 2,2'-bipyridine hemisolvate]","","- C19 H16 Ca F2 N O6 -","- C19 H16 Ca F2 N O6 -","- C38 H32 Ca2 F4 N2 O12 -","2","1","RK2307","Zhang, Bi-Song; Lin, Jian-Li; Jin, Xiu-Fang; Huang, Rong; Luo, Ling-Ling","<i>catena</i>-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1':1κ^3^<i>O</i>:<i>O</i>,<i>O</i>';1:1''κ^3^<i>O</i>,<i>O</i>':<i>O</i>] 2,2'-bipyridine hemisolvate]","Acta Crystallographica Section E","2012","68","1","m55","m56","10.1107/S1600536811053311","","","0.71073","MoKα","","0.1053","0.0605","","","0.1412","0.214","","","","","","1.169","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233278","11.691","0.0017","18.786","0.003","11.7305","0.0015","90","","90","","90","","2576.3","0.6","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>rac</i>-Diethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]- 4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate","","- C26 H33 N O7 -","- C26 H33 N O7 -","- C104 H132 N4 O28 -","4","1","RK2310","Inglebert, S. Antony; Sethusankar, K.; Arun, Yuvaraj; Perumal, Paramasivam T.","<i>rac</i>-Diethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate","Acta Crystallographica Section E","2012","68","1","o112","","10.1107/S1600536811051786","","","0.71073","MoKα","","0.0847","0.0488","","","0.1197","0.1477","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233279","11.5161","0.0002","11.6531","0.0002","16.3216","0.0003","90","","102.403","0.001","90","","2139.21","0.07","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Poly[[diaquabis(μ~2~-4,4'-bipyridyl)iron(II)] bis{2-[(3-carboxypyridin-2-yl)disulfanyl]nicotinate}]","","- C44 H34 Fe N8 O10 S4 -","- C44 H34 Fe N8 O10 S4 -","- C88 H68 Fe2 N16 O20 S8 -","2","0.5","RK2316","Shan, Jie-Jie; Chai, Sheng-Yuan; Feng, Yun-Long","Poly[[diaquabis(μ~2~-4,4'-bipyridyl)iron(II)] bis{2-[(3-carboxypyridin-2-yl)disulfanyl]nicotinate}]","Acta Crystallographica Section E","2012","68","1","m28","","10.1107/S1600536811052287","","","0.71073","MoKα","","","0.0466","","","0.1106","0.1258","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233280","18.1345","0.0006","18.1345","0.0006","17.1405","0.0011","90","","90","","90","","5636.8","0.4","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methylenebis(4,1-phenylene)]diurea","","- C33 H26 N6 O2 -","- C33 H26 N6 O2 -","- C264 H208 N48 O16 -","8","2","RK2320","Pramanik, Avijit; Russ, Tiffany H.; Powell, Douglas R.; Hossain, Md. Alamgir","3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methylenebis(4,1-phenylene)]diurea","Acta Crystallographica Section E","2012","68","1","o158","o159","10.1107/S1600536811053220","","","0.71073","MoKα","","0.065","0.046","","","0.096","0.104","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233281","11.5474","0.001","8.3776","0.0007","14.8801","0.0013","90","","93.607","0.001","90","","1436.6","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,9,10‒trimethoxydibenzo[<i>b,d</i>]oxepin‒7(6<i>H</i>)‒one","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","RK2322","Hou, Yan-Jun; Song, Shu-Lin; Chu, Wen-Yi; Sun, Zhi-Zhong","2,9,10-Trimethoxydibenzo[<i>b</i>,<i>d</i>]oxepin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2012","68","1","o204","","10.1107/S1600536811053803","","","0.71073","MoKα","","0.0635","0.0436","","","0.1152","0.1269","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233282","7.4877","0.0008","6.753","0.0007","12.6615","0.0013","90","","90","","90","","640.22","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5,6-Dimethyl-1,2,4-triazin-3-amine","","- C5 H8 N4 -","- C5 H8 N4 -","- C20 H32 N16 -","4","0.5","RN2097","Wu, Man-Hua; Qiu, Qi-Ming; Gao, Sen; Jin, Qiong-Hua; Zhang, Cun-Lin","5,6-Dimethyl-1,2,4-triazin-3-amine","Acta Crystallographica Section E","2012","68","1","o39","","10.1107/S1600536811051920","","","0.71073","MoKα","","0.0722","0.0483","","","0.1319","0.1567","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233283","9.69","0.005","10.62","0.005","21.692","0.012","90","","90.682","0.01","90","","2232","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-Ethyl 2-(2,4-dimethylbenzylidene)-7-methyl-3-oxo-5-phenyl- 3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C100 H96 N8 O12 S4 -","4","1","RN2098","Chen, Xiao-Yan; Wang, Han-Chu; Zhang, Qian; Song, Zhi-Jian; Zheng, Fei-Yun","(<i>Z</i>)-Ethyl 2-(2,4-dimethylbenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","1","o127","","10.1107/S1600536811052925","","","0.71073","MoKα","","0.0705","0.0502","","","0.137","0.155","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233284","9.4321","0.0011","9.4321","0.0011","15.75","0.004","90","","90","","120","","1213.5","0.4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Silver diaquacobalt(II) <i>catena</i>-borodiphosphate(V) hydrate","","- Ag0.79 B Co1.11 H5.33 O10.67 P2 -","- Ag0.784 B Co1.1082 H5.34 O10.67 P2 -","- Ag4.704 B6 Co6.6492 H32.04 O64.02 P12 -","6","0.5","RU2019","Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lehcen","Silver diaquacobalt(II) <i>catena</i>-borodiphosphate(V) hydrate, (Ag~0.79~Co~0.11~)Co(H~2~O)~2~[BP~2~O~8~]·0.67H~2~O","Acta Crystallographica Section E","2012","68","1","i3","i4","10.1107/S1600536811052020","","","0.71073","MoKα","","0.0629","0.0402","","","0.0843","0.093","","","","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233285","10.362","0.002","12.178","0.003","10.468","0.002","90","","91.666","0.002","90","","1320.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(4-Hydroxybenzylidene)-3-nitrobenzohydrazide","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","RZ2676","Meng, Xu-Feng; Wang, Dong-Yue; Ma, Jing-Jun","(<i>E</i>)-<i>N</i>'-(4-Hydroxybenzylidene)-3-nitrobenzohydrazide","Acta Crystallographica Section E","2012","68","1","o20","","10.1107/S1600536811051233","","","0.71073","MoKα","","0.0661","0.0432","","","0.1122","0.1287","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233286","6.2344","0.0012","7.7725","0.0016","9.7071","0.0019","99.56","0.03","92.49","0.03","92.84","0.03","462.64","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3,3'-(Diazene-1,2-diyl)bis(1-methyl-1,4,5,6- tetrahydropyrrolo[3,4-<i>c</i>]pyrazol-5-ium) dinitrate dihydrate","","- C12 H22 N10 O8 -","- C12 H22 N10 O8 -","- C12 H22 N10 O8 -","1","0.5","RZ2680","Chen, Jin-Mei; Zhao, Hong","(<i>E</i>)-3,3'-(Diazene-1,2-diyl)bis(1-methyl-1,4,5,6-tetrahydropyrrolo[3,4-<i>c</i>]pyrazol-5-ium) dinitrate dihydrate","Acta Crystallographica Section E","2012","68","1","o151","","10.1107/S1600536811053347","","","0.71073","MoKα","","0.0598","0.0483","","","0.1238","0.1305","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233287","6.0816","0.0007","25.997","0.003","10.9061","0.0012","90","","100.866","0.002","90","","1693.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)ethanone","","- C21 H16 F2 O2 -","- C21 H16 F2 O2 -","- C84 H64 F8 O8 -","4","1","RZ2681","Fun, Hoong-Kun; Hemamalini, Madhukar; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)ethanone","Acta Crystallographica Section E","2012","68","1","o163","","10.1107/S1600536811053037","","","0.71073","MoKα","","0.0881","0.0496","","","0.1414","0.1673","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233288","8.5197","0.0011","9.5225","0.0012","22.871","0.003","90","","90","","90","","1855.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","","- C22 H18 F2 O3 -","- C22 H18 F2 O3 -","- C88 H72 F8 O12 -","4","1","RZ2682","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","Ethyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","Acta Crystallographica Section E","2012","68","1","o172","","10.1107/S160053681105344X","","","0.71073","MoKα","","0.0825","0.0565","","","0.1511","0.1705","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233289","10.5648","0.0007","24.0246","0.0017","10.4561","0.0007","90","","90.253","0.001","90","","2653.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bis(acetonitrile-κ<i>N</i>)bis(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')ruthenium(II) tetrafluoridoborate","","- C24 H22 B2 F8 N6 Ru -","- C24 H22 B2 F8 N6 Ru -","- C96 H88 B8 F32 N24 Ru4 -","4","1","RZ2684","Wang, Ying; Xu, Feng; Huang, Wei","<i>cis</i>-Bis(acetonitrile-κ<i>N</i>)bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","1","m68","","10.1107/S1600536811053864","","","0.71073","MoKα","","0.0647","0.0458","","","0.1118","0.1205","","","","","","0.947","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233290","10.764","0.0004","10.728","0.0004","23.2314","0.0009","90","","90.597","0.002","90","","2682.53","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-trimethylsilanolato-κ^2^<i>O</i>:<i>O</i>)bis{[2-(2<i>H</i>- benzotriazol-2-yl)-4,6-di-<i>tert</i>-pentylphenolato- κ^2^<i>N</i>,<i>O</i>]zinc}","","- C50 H74 N6 O4 Si2 Zn2 -","- C50 H74 N6 O4 Si2 Zn2 -","- C100 H148 N12 O8 Si4 Zn4 -","2","0.5","RZ2685","Lee, Hwi Hyun; Go, Min Jeong; Park, Ka Hyun; Kim, Youngjo; Lee, Junseong","Bis(μ-trimethylsilanolato-κ^2^<i>O</i>:<i>O</i>)bis{[2-(2<i>H</i>-benzotriazol-2-yl)-4,6-di-<i>tert</i>-pentylphenolato-κ^2^<i>N</i>,<i>O</i>]zinc}","Acta Crystallographica Section E","2012","68","1","m87","","10.1107/S1600536811054134","","","0.71073","MoKα","","0.0685","0.0394","","","0.0896","0.1083","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233291","8.986","0.007","7.041","0.006","33.68","0.03","90","","90","","90","","2131","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate","","- C9 H8 N2 O8 -","- C9 H8 N2 O8 -","- C72 H64 N16 O64 -","8","1","RZ2687","Zhang, You-Ming; Ming, Jian-Jun; Dang, Jian-Peng; Zhang, Wan-Qiang; Wei, Tai-Bao","5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate","Acta Crystallographica Section E","2012","68","1","o230","","10.1107/S160053681105416X","","","0.71073","MoKα","","0.0581","0.0476","","","0.1035","0.109","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233292","8.0396","0.0002","11.1512","0.0003","15.5723","0.0003","87.454","0.001","83.378","0.001","87.995","0.001","1384.76","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2,2',5,5'-Tetrachloro-<i>N</i>,<i>N</i>'-diethyl-<i>N</i>,<i>N</i>'- [benzene-1,3-diylbis(methylene)]dibenzenesulfonamide","","- C24 H24 Cl4 N2 O4 S2 -","- C24 H24 Cl4 N2 O4 S2 -","- C48 H48 Cl8 N4 O8 S4 -","2","1","SU2337","Ejaz; Khan, Islam Ullah; Sheikh, Tahir Ali; Harrison, William T. A.","2,2',5,5'-Tetrachloro-<i>N</i>,<i>N</i>'-diethyl-<i>N</i>,<i>N</i>'-[benzene-1,3-diylbis(methylene)]dibenzenesulfonamide","Acta Crystallographica Section E","2012","68","1","o15","","10.1107/S1600536811045326","","","0.71073","MoKα","","0.0495","0.0358","","","0.0914","0.1017","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233293","7.7383","0.0002","20.7319","0.0005","11.946","0.0003","90","","116.869","0.001","90","","1709.59","0.08","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{1-[(2-Nitrobenzenesulfonamido)methyl]cyclohexyl}acetic acid","","- C15 H20 N2 O6 S -","- C15 H20 N2 O6 S -","- C60 H80 N8 O24 S4 -","4","1","SU2343","Kanwal, Nosheen; Akbar Hussain, Erum; Şahin, Onur; Büyükgüngör, Orhan","2-{1-[(2-Nitrobenzenesulfonamido)methyl]cyclohexyl}acetic acid","Acta Crystallographica Section E","2012","68","1","o86","","10.1107/S160053681105224X","","","0.71073","MoKα","","0.0573","0.0397","","","0.0972","0.1098","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233294","8.552","0.0017","10.355","0.002","16.361","0.003","92.85","0.03","100.52","0.03","95.25","0.03","1415.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3- methoxyphenyl)prop-2-en-1-one","","- C29 H30 Br2 N2 O3 -","- C29 H30 Br2 N2 O3 -","- C58 H60 Br4 N4 O6 -","2","1","SU2344","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","1","o122","","10.1107/S1600536811052123","","","0.71073","MoKα","","0.2059","0.0774","","","0.1128","0.1449","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233295","16.5265","0.0005","10.3242","0.0003","12.6433","0.0004","90","","104.796","0.001","90","","2085.71","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-Dichloro-2-{[(<i>E</i>)-(3-{[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylidene]amino}-2,2-dimethylpropyl)imino]methyl}phenol","","- C19 H18 Cl4 N2 O2 -","- C19 H18 Cl4 N2 O2 -","- C76 H72 Cl16 N8 O8 -","4","1","SU2348","Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz","4,6-Dichloro-2-{[(<i>E</i>)-(3-{[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylidene]amino}-2,2-dimethylpropyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","1","o142","","10.1107/S1600536811053438","","","0.71073","MoKα","","0.0691","0.0418","","","0.104","0.1187","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233296","8.0166","0.0003","10.089","0.0004","11.9838","0.0005","110.069","0.004","96.236","0.003","109.076","0.003","833.36","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","bis(μ-pyridine-2,3-dicarboxylato)bis[aqua(3-carboxypyridine-2- carboxylato)indium(III)] tetrahydrate","","- C28 H26 In2 N4 O22 -","- C28 H26 In2 N4 O22 -","- C28 H26 In2 N4 O22 -","1","0.5","SU2349","Eshtiagh-Hosseini, H.; Mirzaei, M.; Mousavinezhad, A.; Necas, M.; Mague, J. T.","Bis(μ-pyridine-2,3-dicarboxylato)bis[aqua(3-carboxypyridine-2-carboxylato)indium(III)] tetrahydrate","Acta Crystallographica Section E","2012","68","1","m71","m72","10.1107/S1600536811053566","","","0.71073","MoKα","","0.0176","0.0155","","","0.0389","0.0394","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233297","16.6817","0.0008","8.2872","0.0004","23.7289","0.0012","90","","105.582","0.001","90","","3159.8","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Acridin-10-ium 6-carboxypyridine-2-carboxylate","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C160 H112 N16 O32 -","8","1","SU2350","Ha, Kwang","Acridin-10-ium 6-carboxypyridine-2-carboxylate","Acta Crystallographica Section E","2012","68","1","o196","","10.1107/S1600536811053578","","","0.71073","MoKα","","0.1091","0.0507","","","0.1064","0.1403","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233298","13.8883","0.0003","13.8883","0.0003","6.9126","0.0002","90","","90","","90","","1333.34","0.06","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","5,5-dichlorobarbituric acid","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C32 H16 Cl16 N16 O24 -","8","1","SU2351","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Tetragonal polymorph of 5,5-dichlorobarbituric acid","Acta Crystallographica Section E","2012","68","1","o235","o236","10.1107/S1600536811054626","","","0.71073","MoKα","","0.0216","0.0198","","","0.0488","0.0495","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233299","6.1835","0.0002","4.597","0.0002","23.8487","0.001","90","","96.08","0.004","90","","674.1","0.05","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[(1,3-benzodioxol-5-yl)methylidene]hydrazine","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","0.5","TK5026","Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Narayana, B.; Yathirajan, H. S.","1,2-Bis[(1,3-benzodioxol-5-yl)methylidene]hydrazine","Acta Crystallographica Section E","2012","68","1","o7","","10.1107/S1600536811050793","","","0.71073","MoKα","","0.0552","0.0427","","","0.1103","0.1183","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233300","7.1273","0.0002","26.6676","0.0007","7.5428","0.0002","90","","101.652","0.002","90","","1404.1","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Bromophenyl)-3,5-dinitrobenzamide","","- C13 H8 Br N3 O5 -","- C13 H8 Br N3 O5 -","- C52 H32 Br4 N12 O20 -","4","1","TK5029","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Wong, Wing-Tak","<i>N</i>-(4-Bromophenyl)-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","1","o26","","10.1107/S1600536811051464","","","0.71073","MoKα","","0.0491","0.0345","","","0.0914","0.1082","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233301","11.9806","0.0006","9.8955","0.0004","12.5562","0.0007","90","","114.992","0.007","90","","1349.21","0.14","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>E</i>,4<i>E</i>)-1-(3-Nitrophenyl)-5-phenylpenta-1,4-dien-3-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","TK5031","Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Sarojini, B. K.; Yathirajan, H. S.","(1<i>E</i>,4<i>E</i>)-1-(3-Nitrophenyl)-5-phenylpenta-1,4-dien-3-one","Acta Crystallographica Section E","2012","68","1","o74","o75","10.1107/S1600536811052548","","","0.71073","MoKα","","0.0965","0.055","","","0.1076","0.1276","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233302","15.1094","0.0008","24.4445","0.0011","7.0368","0.0004","90","","109.908","0.006","90","","2443.7","0.2","123","","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-2-[(3<i>E</i>)-4-Phenylbut-3-en-2-ylidene]hydrazinecarboxamide","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","TK5032","Samshuddin, S.; Butcher, Ray J.; Yıldırım, Sema Ozturk; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-2-[(3<i>E</i>)-4-Phenylbut-3-en-2-ylidene]hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","1","o76","o77","10.1107/S160053681105255X","","","0.71073","MoKα","","0.0673","0.0554","","","0.1659","0.1763","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233303","8.8694","0.0006","10.3837","0.0008","10.4288","0.0005","103.862","0.005","96.452","0.005","114.949","0.007","820.25","0.11","290","4","290","4","","","","","","","","7","P -1","-P 1","2","","2-Chloro-<i>N</i>-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide","","- C14 H10 Cl2 I N O3 S -","- C14 H10 Cl2 I N O3 S -","- C28 H20 Cl4 I2 N2 O6 S2 -","2","1","TK5034","Wang, Dao-Cai; Song, Hang; Yang, Chang; Huang, Wen-Cai; Yao, Shun","2-Chloro-<i>N</i>-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide","Acta Crystallographica Section E","2012","68","1","o189","","10.1107/S1600536811053633","","","0.7107","MoKα","","0.0341","0.0284","","","0.0636","0.0672","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233304","15.9747","0.0004","7.3309","0.0002","8.7451","0.0002","90","","103.729","0.003","90","","994.87","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","adipic acid‒nicotinohydrazide (1/2)","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","TK5035","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Form II of adipic acid‒nicotinohydrazide (1/2)","Acta Crystallographica Section E","2012","68","1","o190","","10.1107/S1600536811054043","","","0.71073","MoKα","","","0.0291","","","","0.0768","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233305","7.71685","0.00014","29.2344","0.0005","11.5567","0.0002","90","","102.879","0.001","90","","2541.57","0.08","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2,7-Dimethoxy-8-(2,4,6-trimethylbenzoyl)naphthalen-1-yl](2,4,6- trimethylphenyl)methanone","","- C32 H32 O4 -","- C32 H32 O4 -","- C128 H128 O16 -","4","1","VM2138","Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","[2,7-Dimethoxy-8-(2,4,6-trimethylbenzoyl)naphthalen-1-yl](2,4,6-trimethylphenyl)methanone","Acta Crystallographica Section E","2012","68","1","o23","","10.1107/S1600536811051579","","","1.54187","CuKα","","0.0452","0.0413","","","0.1167","0.1205","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233306","10.5","0.0012","14.6109","0.0016","15.7391","0.0017","90","","131.85","0.002","90","","1798.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(formato-κ<i>O</i>)bis[1-(pyridin-2-yl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>']nickel(II)","","- C16 H18 N4 Ni O6 -","- C16 H18 N4 Ni O6 -","- C64 H72 N16 Ni4 O24 -","4","1","VM2139","Li, Leilei; Qiu, Xiumin; Li, Dacheng","Bis(formato-κ<i>O</i>)bis[1-(pyridin-2-yl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section E","2012","68","1","m2","","10.1107/S1600536811050859","","","0.71073","MoKα","","0.0728","0.0491","","","0.1207","0.1373","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233307","8.3368","0.001","12.6763","0.0017","18.71","0.002","90","","102.466","0.002","90","","1930.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)nickel(II) bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","","- C20 H36 N4 Ni2 O6 S10 -","- C20 H36 N4 Ni2 O6 S10 -","- C40 H72 N8 Ni4 O12 S20 -","2","0.5","VM2141","Niu, Meiju; Fan, Shumei; Liu, Guihua","Hexakis(dimethyl sulfoxide-κ<i>O</i>)nickel(II) bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2012","68","1","m67","","10.1107/S1600536811053827","","","0.71073","MoKα","","0.0685","0.0382","","","0.0784","0.0952","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233308","5.26","0.003","18.528","0.01","8.077","0.004","90","","103.707","0.006","90","","764.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(5-methyl-1,2-oxazole-3-carboxylato- κ^2^<i>N</i>,<i>O</i>^3^)cobalt(II) dihydrate","","- C10 H16 Co N2 O10 -","- C10 H16 Co N2 O10 -","- C20 H32 Co2 N4 O20 -","2","0.5","VM2142","Wang, Yan; Zhao, Jing","Diaquabis(5-methyl-1,2-oxazole-3-carboxylato-κ^2^<i>N</i>,<i>O</i>^3^)cobalt(II) dihydrate","Acta Crystallographica Section E","2012","68","1","m69","","10.1107/S1600536811053414","","","0.71073","MoKα","","0.0323","0.0283","","","0.0745","0.0778","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233309","8.1961","0.0011","14.2224","0.0019","17.365","0.002","90","","98.34","0.002","90","","2002.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-3-carboxylate-κ<i>N</i>)cobalt(III)","","- C16 H23 Cl Co N5 O6 -","- C16 H23 Cl Co N5 O6 -","- C64 H92 Cl4 Co4 N20 O24 -","4","1","VN2023","Wang, Ning; Sun, Xuzhuo; Wan, Dongjin; Chen, Jing; Li, Bo","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-3-carboxylate-κ<i>N</i>)cobalt(III)","Acta Crystallographica Section E","2012","68","1","m20","","10.1107/S1600536811051397","","","0.71073","MoKα","","0.0332","0.0284","","","0.0736","0.0755","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233310","11.757","0.002","18.297","0.004","13.223","0.003","90","","103.91","0.03","90","","2761.1","1.1","173.5","","173.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 Ag N6 O11 -","- C31 H15 Ag N6 O11 -","- C124 H60 Ag4 N24 O44 -","4","1","VN2025","Wang, Shen-Tang; Che, Guang-Bo; Liu, Chun-Bo; Wang, Xing; Liu, Ling","Bis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')silver(I) 2-hydroxy-3,5-dinitrobenzoate","Acta Crystallographica Section E","2012","68","1","m76","","10.1107/S1600536811053785","","","0.71073","MoKα","","0.1065","0.0829","","","0.1504","0.1633","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233311","13.0387","0.0009","26.6742","0.0019","4.2351","0.0003","90","","90","","90","","1472.95","0.18","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","caesium samarium(III) selenide","tricaesium heptasamarium(III) dodecaselenide","","- Cs3 Se12 Sm7 -","- Cs3 Se12 Sm7 -","- Cs6 Se24 Sm14 -","2","0.25","WM2561","Schneck, Christof; Elbe, Andreas; Schurz, Christian M.; Schleid, Thomas","Cs~3~Sm~7~Se~12~","Acta Crystallographica Section E","2012","68","1","i2","","10.1107/S1600536811051919","","","0.71069","MoKα","","0.0593","0.0346","","","0.0673","0.0724","","","","","","0.968","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233312","5.4654","0.0017","5.4654","0.0017","4.2574","0.0015","90","","90","","120","","110.13","0.06","296","2","296","2","","","","","","","","2","P 6/m m m","-P 6 2","191","","lanthanum pentazinc","","- La Zn5 -","- La Zn5 -","- La Zn5 -","1","0.0416667","WM2565","Oshchapovsky, Igor; Zelinska, Oksana; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","Redetermination of LaZn~5~ based on single crystal X-ray diffraction data","Acta Crystallographica Section E","2012","68","1","i1","","10.1107/S1600536811050987","","","0.71073","MoKα","","0.0216","0.0182","","","0.0359","0.0368","","","","","","1.173","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233313","7.4965","0.0006","8.6245","0.0007","10.5247","0.0012","106.649","0.007","98.047","0.007","112.561","0.005","577.53","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(8-aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]- di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-[(8- aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-chlorido]","","- C10 H8 Cd Cl N3 S -","- C10 H8 Cd Cl N3 S -","- C20 H16 Cd2 Cl2 N6 S2 -","2","1","WM2567","Xu, Heng; Guo, Chang","<i>catena</i>-Poly[[(8-aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-[(8-aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","1","m3","","10.1107/S1600536811051373","","","0.71073","MoKα","","0.0229","0.0209","","","0.0497","0.0509","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233314","13.3165","0.0002","13.3165","0.0002","7.0845","0.0002","90","","90","","120","","1087.98","0.04","293","2","293","2","","","","","","","Burguillos del Cerro, Badajos, Spain","5","P -3 m 1","-P 3 2""","164","Pyrosmalite-(Fe)","octairon(II) hexasilicate deca(chloride/hydroxide) 0.45-hydrate","Pyrosmalite-(Fe)","- Cl1.855 Fe8 H8.48 O23.585 Si6 -","- Cl1.857 Fe8 H9.025 O23.584 Si6 -","- Cl3.714 Fe16 H18.05 O47.168 Si12 -","2","0.166667","WM2570","Yang, Hexiong; Downs, Robert T.; Yang, Yongbo W.; Allen, Warren H.","Pyrosmalite-(Fe), Fe~8~Si~6~O~15~(OH,Cl)~10~","Acta Crystallographica, Section E: Structure Reports Online","2012","68","1","i7","i8","10.1107/S1600536811052822","","","0.71073","MoKα","","0.0379","0.0232","","","0.0614","0.0678","","","","","","1.05","","","","has coordinates,has Fobs","205491","2020-10-21","18:00:00",""
"2233315","16.236","0.003","12.542","0.002","9.9233","0.0017","90","","90","","90","","2020.7","0.6","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>cis</i>-Dichloridobis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C20 H18 Cl2 Mn N6 -","- C20 H18 Cl2 Mn N6 -","- C80 H72 Cl8 Mn4 N24 -","4","1","WM2573","Ha, Kwang","<i>cis</i>-Dichloridobis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section E","2012","68","1","m45","","10.1107/S1600536811052834","","","0.71073","MoKα","","0.0776","0.0418","","","0.0725","0.092","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233316","6.683","0.001","12.609","0.002","13.469","0.002","90","","99.207","0.01","90","","1120.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H34 N6 O12 S2 Sn -","- C8 H34 N6 O12 S2 Sn -","- C16 H68 N12 O24 S4 Sn2 -","2","0.5","WM2575","Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Lebraud, Eric; Guionneau, Philippe","Bis(1,1-dimethylguanidinium) tetraaquadimethyltin(IV) bis(sulfate)","Acta Crystallographica Section E","2012","68","1","m70","","10.1107/S1600536811053761","","","0.71069","MoKα","","0.0572","0.0335","","","0.0748","0.0844","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233317","10.593","0.006","12.426","0.007","17.099","0.01","90","","90","","90","","2251","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kallolide A acetate pyrazoline","7-methyl-16-oxo-4,10-bis(prop-1-en-2-yl)-17,18-dioxa-14,15- diazatetracyclo[9.4.2.1^6,9^.0^1,12^]octadeca-6,8,14-trien-5-yl acetate","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","WN2456","Rodríguez-Escudero, Idaliz; Marrero, Jeffrey; Rodríguez, Abimael D.","Kallolide A acetate pyrazoline","Acta Crystallographica Section E","2012","68","1","o41","o42","10.1107/S1600536811051890","","","0.71073","MoKα","","0.0579","0.0472","","","0.1115","0.1182","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233318","5.8314","0.0003","26.3603","0.0011","13.8558","0.0007","90","","98.623","0.005","90","","2105.8","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-diazaspiro[4.5]dec-8-yl]- 2-methylbenzenesulfonamide","","- C22 H24 F N3 O4 S -","- C22 H24 F N3 O4 S -","- C88 H96 F4 N12 O16 S4 -","4","1","WN2460","Jeyaseelan, S.; Vinduvahini, M.; Madaiah, M.; Bhattacharya, Suman; Revanasiddappa, H. D.","<i>N</i>-[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-diazaspiro[4.5]dec-8-yl]-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","1","o105","o106","10.1107/S160053681105269X","","","0.71073","MoKα","","0.0546","0.0431","","","0.1101","0.1142","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233319","7.5458","0.0002","10.9169","0.0004","12.0924","0.0004","101.92","0.002","101.423","0.002","90.484","0.002","954.08","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl)- 1-phenylethanone","","- C23 H17 N O5 S -","- C23 H17 N O5 S -","- C46 H34 N2 O10 S2 -","2","1","WN2461","Sattar, Nazia; Siddiqui, Hamid Latif; Bukhari, Syed Iftikhar Hussain; Ahmad, Matloob; Parvez, Masood","2-(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl)-1-phenylethanone","Acta Crystallographica Section E","2012","68","1","o92","","10.1107/S1600536811052615","","","0.71073","MoKα","","0.0538","0.0438","","","0.0993","0.1066","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233320","12.474","0.002","6.4401","0.0012","15.601","0.003","90","","109.188","0.003","90","","1183.7","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Hydroxy-11<i>H</i>-benzo[<i>b</i>]fluoren-11-one","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","1","XU5365","Chen, Kew-Yu; Chang, Ming-Jen; Fang, Tzu-Chien","1-Hydroxy-11<i>H</i>-benzo[<i>b</i>]fluoren-11-one","Acta Crystallographica Section E","2012","68","1","o16","","10.1107/S160053681104760X","","","0.71073","MoKα","","0.0955","0.0469","","","0.1216","0.1526","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233321","10.485","0.003","8.809","0.002","21.313","0.005","90","","100.628","0.004","90","","1934.7","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1,1-Dicyano-2-(4-fluorophenyl)-3-(1-hexylpyridin-1-ium-4- yl)prop-2-en-1-ide","","- C22 H22 F N3 -","- C22 H22 F N3 -","- C88 H88 F4 N12 -","4","1","XU5392","Hao, Wen-Hui; Wang, Cheng; Qian, Gang; Wang, Zhi-Yuan","(<i>Z</i>)-1,1-Dicyano-2-(4-fluorophenyl)-3-(1-hexylpyridin-1-ium-4-yl)prop-2-en-1-ide","Acta Crystallographica Section E","2012","68","1","o82","","10.1107/S160053681105166X","","","0.71073","MoKα","","0.0747","0.0425","","","0.0737","0.0798","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233322","13.1985","0.0008","15.5714","0.0009","18.1926","0.0011","90","","90","","90","","3738.9","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-2,4,6- trimethylisophthalato- κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^)cadmium]","","- C21 H18 Cd N2 O4 -","- C21 H18 Cd N2 O4 -","- C168 H144 Cd8 N16 O32 -","8","1","XU5394","Hou, Shao-Gang; Jin, Mei-Fang","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-2,4,6-trimethylisophthalato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^)cadmium]","Acta Crystallographica Section E","2012","68","1","m84","m85","10.1107/S1600536811054183","","","0.71073","MoKα","","0.0983","0.0449","","","0.0813","0.0981","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233323","8.3532","0.0019","14.865","0.003","13.066","0.003","90","","98.325","0.004","90","","1605.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzene-1,3,5-tricarboxylic acid‒5-(4-pyridyl)pyrimidine (1/1)","","- C18 H13 N3 O6 -","- C18 H13 N3 O6 -","- C72 H52 N12 O24 -","4","1","XU5398","Jiang, Yan-Ke; Hou, Gui-Ge","Benzene-1,3,5-tricarboxylic acid‒5-(4-pyridyl)pyrimidine (1/1)","Acta Crystallographica Section E","2012","68","1","o6","","10.1107/S1600536811051075","","","0.71073","MoKα","","0.0826","0.0553","","","0.1179","0.1296","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233324","6.416","0.0005","6.6486","0.0006","13.992","0.0012","89.917","0.001","85.588","0.001","73.676","0.001","570.98","0.08","294","","294","","","","","","","","","5","P -1","-P 1","2","","Poly[[hexaaqua(μ~2~-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(μ~3~-pyridine- 2,4-dicarboxylato- κ^4^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^)dicerium(III)] monohydrate]","","- C16 H20 Ce2 N2 O19 -","- C16 H20 Ce2 N2 O19 -","- C16 H20 Ce2 N2 O19 -","1","0.5","XU5400","Shen, Fwu Ming; Lush, Shie Fu","Poly[[hexaaqua(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(μ~3~-pyridine-2,4-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^)dicerium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","1","m21","m22","10.1107/S1600536811051956","","","0.71073","MoKα","","0.0313","0.0279","","","0.0794","0.0809","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233325","8.6487","0.0017","11.689","0.002","12.229","0.002","112.1","0.03","102.3","0.03","97.85","0.03","1086.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquacyanido{6,6'-dimethoxy-2,2'-[1,2- phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) acetonitrile hemisolvate","","- C24 H21.5 Co N3.5 O5 -","- C24 H21.5 Co N3.5 O5 -","- C48 H43 Co2 N7 O10 -","2","1","XU5401","Lin, Yang; Hou, Guang-Feng; Li, Guang-Ming; Yan, Peng-Fei","Aquacyanido{6,6'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) acetonitrile hemisolvate","Acta Crystallographica Section E","2012","68","1","m61","","10.1107/S160053681105330X","","","0.71073","MoKα","","0.0697","0.0494","","","0.147","0.1584","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233326","11.3606","0.0004","11.1034","0.0004","8.786","0.0002","90","","96.938","0.002","90","","1100.16","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-Benzotriazol-1-yl)-1-(furan-2-yl)ethanol","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","XU5402","Özel Güven, Özden; Bayraktar, Meral; Coles, Simon J.; Hökelek, Tuncer","2-(1<i>H</i>-Benzotriazol-1-yl)-1-(furan-2-yl)ethanol","Acta Crystallographica Section E","2012","68","1","o72","","10.1107/S1600536811051798","","","0.71073","MoKα","","0.0616","0.0536","","","0.1329","0.1393","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233327","4.388","0.0004","13.121","0.0011","19.8722","0.0016","90","","90","","90","","1144.14","0.17","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(11a<i>S</i>)-7-Bromo-2,3,5,10,11,11a-hexahydro-1<i>H</i>- pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-3,11-dione","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","XU5404","Ma, Chao; Wang, Zhen-Zhong; Pan, Li; Tian, Yu; Xiao, Wei","(11a<i>S</i>)-7-Bromo-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-3,11-dione","Acta Crystallographica Section E","2012","68","1","o126","","10.1107/S1600536811052962","","","0.71073","MoKα","","0.0251","0.0222","","","0.0556","0.0567","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233328","11.5452","0.0002","20.035","0.0005","8.3317","0.0002","90","","105.598","0.002","90","","1856.21","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-(2,4-Dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-1<i>H</i>-benzotriazole","","- C19 H15 Cl2 N3 O2 -","- C19 H15 Cl2 N3 O2 -","- C76 H60 Cl8 N12 O8 -","4","1","XU5406","Özel Güven, Özden; Bayraktar, Meral; Coles, Simon J.; Hökelek, Tuncer","1-[2-(2,4-Dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2012","68","1","o139","o140","10.1107/S1600536811053104","","","0.71073","MoKα","","0.0596","0.0399","","","0.0936","0.1031","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233329","7.5726","0.0015","7.8114","0.0016","8.9785","0.0018","93.58","0.03","94.65","0.03","97.47","0.03","523.43","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C12 H6 F2 N2 O2 -","- C12 H6 F2 N2 O2 -","- C24 H12 F4 N4 O4 -","2","1","XU5407","Meng, Fan-Wei; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1<i>H</i>-pyrrole-3-carbonitrile","Acta Crystallographica Section E","2012","68","1","o222","","10.1107/S1600536811054523","","","0.71073","MoKα","","0.0725","0.0426","","","0.1074","0.1183","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233330","10.716","0.002","10.057","0.002","36.101","0.007","90","","90","","90","","3890.6","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Methyl-3,5-dinitrobenzamide","","- C8 H7 N3 O5 -","- C8 H7 N3 O5 -","- C128 H112 N48 O80 -","16","2","XU5409","Deng, Gui-Ming; Wang, Chao-Run; Chen, Zhen; Zhang, He-Ming","<i>N</i>-Methyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","1","o209","","10.1107/S1600536811053888","","","0.71073","MoKα","","0.1502","0.0669","","","0.1338","0.162","","","","","","0.964","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233331","51.6665","0.0008","14.5766","0.0002","11.9316","0.0002","90","","90.965","0.002","90","","8984.7","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-4-phenyl-1-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>- 1,5-benzodiazepin-2-one","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C432 H432 N48 O48 -","24","3","XU5411","Rida, Mohamed; Mamari, Khalil; Essassi, El Mokhtar; Ng, Seik Weng","3-Hydroxy-4-phenyl-1-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","Acta Crystallographica Section E","2012","68","1","o238","","10.1107/S1600536811054456","","","0.71073","MoKα","","0.0682","0.0522","","","0.1393","0.153","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233332","22.9635","0.0004","7.7447","0.0001","14.7017","0.0003","90","","124.574","0.001","90","","2152.87","0.07","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetate","","- C10 H13 N5 O2 -","- C10 H13 N5 O2 -","- C80 H104 N40 O16 -","8","1","XU5412","Gueddar, Hicham; Bouhfid, Rachid; Guessous, Ahmed Radouane; Essassi, El Mokhtar; Ng, Seik Weng","Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetate","Acta Crystallographica Section E","2012","68","1","o239","","10.1107/S1600536811054468","","","0.71073","MoKα","","0.0877","0.0503","","","0.1198","0.1384","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233333","31.3411","0.0005","7.8995","0.0001","8.2716","0.0001","90","","90","","90","","2047.87","0.05","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C11 H8 Br N O2 -","- C11 H8 Br N O2 -","- C88 H64 Br8 N8 O16 -","8","1","XU5413","Maamri, Khalil; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","Acta Crystallographica Section E","2012","68","1","o240","","10.1107/S160053681105447X","","","0.71073","MoKα","","0.0418","0.0292","","","0.0807","0.0911","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233334","7.2098","0.00001","23.3271","0.0004","12.3994","0.0002","90","","98.119","0.001","90","","2064.48","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{2-[(3-{(<i>E</i>)-2-[4-(Dimethylamino)phenyl]ethenyl}quinoxalin-2- yl)oxy]ethyl}-1,3-oxazolidin-2-one monohydrate","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","XU5414","Ramli, Youssef; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","3-{2-[(3-{(<i>E</i>)-2-[4-(Dimethylamino)phenyl]ethenyl}quinoxalin-2-yl)oxy]ethyl}-1,3-oxazolidin-2-one monohydrate","Acta Crystallographica Section E","2012","68","1","o241","","10.1107/S1600536811054481","","","0.71073","MoKα","","0.0733","0.0455","","","0.1196","0.1367","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233335","6.7423","0.0005","12.8169","0.001","21.6454","0.0017","90","","98.275","0.001","90","","1851","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-{[<i>N</i>-(5-Chloro-2-hydroxyphenyl)oxamoyl]amino}propyl)dimethylazanium perchlorate","","- C13 H19 Cl2 N3 O7 -","- C13 H19 Cl2 N3 O7 -","- C52 H76 Cl8 N12 O28 -","4","1","YK2031","Yue, Xi-Teng; Li, Xiao-Wen; Wu, Zhi-Yong","(3-{[<i>N</i>-(5-Chloro-2-hydroxyphenyl)oxamoyl]amino}propyl)dimethylazanium perchlorate","Acta Crystallographica Section E","2012","68","1","o8","","10.1107/S1600536811050653","","","0.71073","MoKα","","0.0895","0.0537","","","0.1539","0.1793","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233336","19.481","0.002","12.0745","0.0013","10.4393","0.0011","90","","115.006","0.002","90","","2225.4","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 2-diethylamino-4-oxo-3,5-diphenyl-4,5-dihydro-3<i>H</i>- pyrrolo[3,2-<i>d</i>]pyrimidine-7-carboxylate","","- C25 H26 N4 O3 -","- C25 H26 N4 O3 -","- C100 H104 N16 O12 -","4","1","YK2034","Gao, Hai-Tao; Li, Li; Ye, Fang; Hu, Yang-Gen","Ethyl 2-diethylamino-4-oxo-3,5-diphenyl-4,5-dihydro-3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidine-7-carboxylate","Acta Crystallographica Section E","2012","68","1","o118","","10.1107/S1600536811052883","","","0.71073","MoKα","","0.0542","0.0457","","","0.0995","0.1044","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233337","23.78","0.005","4.7784","0.0007","23.892","0.005","90","","121.2","0.01","90","","2322.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-Chloro-5-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C88 H96 Cl8 N8 O24 -","8","1","YK2035","Gowda, B. Thimme; Foro, Sabine; Chaithanya, U.","<i>N</i>-(2-Chloro-5-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","1","o221","","10.1107/S1600536811054638","","","0.71073","MoKα","","0.0973","0.0616","","","0.1123","0.1284","","","","","","1.191","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233338","8.151","0.0016","9.521","0.0019","11.506","0.002","103.8","0.03","105.64","0.03","101.03","0.03","803.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,4,5-Tris(pyridin-4-yl)-1<i>H</i>-imidazole monohydrate","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C36 H30 N10 O2 -","2","1","ZJ2036","Wang, Shen-Tang; Che, Guang-Bo; Liu, Chun-Bo; Wang, Xing; Liu, Ling","2,4,5-Tris(pyridin-4-yl)-1<i>H</i>-imidazole monohydrate","Acta Crystallographica Section E","2012","68","1","o130","","10.1107/S1600536811053013","","","0.71073","MoKα","","0.09","0.0577","","","0.1058","0.1251","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233339","8.114","0.005","12.775","0.005","15.404","0.005","90","0.005","98.813","0.005","90","0.005","1577.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 Br O4 S -","- C16 H15 Br O4 S -","- C64 H60 Br4 O16 S4 -","4","1","ZJ2039","Sunitha, K.; Devarajegowda, H. C.; Al-eryani, Waleed Fadl Ali; Prasad, Y. Rajendra; Kumar, A. Uma Mahesh","(2<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","1","o61","","10.1107/S1600536811052202","","","0.71073","MoKα","","0.0437","0.0334","","","0.0773","0.0817","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233340","6.7523","0.0003","8.2926","0.0003","9.7297","0.0004","100.63","0.003","90.885","0.003","99.168","0.003","528.05","0.04","297.1","","297.1","","","","","","","","","6","P 1","P 1","1","","Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate","","- C6 H24 F2 N12 O10 P2 -","- C6 H24 F2 N12 O10 P2 -","- C6 H24 F2 N12 O10 P2 -","1","1","ZJ2040","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate","Acta Crystallographica Section E","2012","68","1","o47","o48","10.1107/S1600536811051683","","","0.7107","MoKα","","0.0359","0.0303","","","0.0661","0.0684","","","","","","1.52","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233341","10.0258","0.0004","15.9925","0.0006","11.0016","0.0005","90","","106.656","0.003","90","","1689.96","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate","","- C16 H18 F N3 O2 S2 -","- C16 H18 F N3 O2 S2 -","- C64 H72 F4 N12 O8 S8 -","4","1","ZL2432","Wang, Yao; Lin, Hui-Hui; Cao, Sheng-Li","2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate","Acta Crystallographica Section E","2012","68","1","o94","o95","10.1107/S1600536811052494","","","0.71073","MoKα","","0.0473","0.0348","","","0.0907","0.0996","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233342","12.29","0.0002","24.797","0.0006","25.608","0.0006","90","","90","","90","","7804.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2- yl)methyl]benzonitrile","","- C23 H16 N2 O4 S -","- C23 H16 N2 O4 S -","- C368 H256 N32 O64 S16 -","16","2","ZL2435","Sattar, Nazia; Siddiqui, Hamid Latif; Hussain, Tanvir; Aslam, Sana; Parvez, Masood","3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl)methyl]benzonitrile","Acta Crystallographica Section E","2012","68","1","o91","","10.1107/S1600536811052706","","","0.71073","MoKα","","0.1183","0.0789","","","0.1443","0.1639","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233343","7.122","0.0014","5.469","0.0011","12.981","0.003","90","","98.13","0.03","90","","500.53","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Fluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanol","","- C11 H11 F N2 O -","- C11 H11 F N2 O -","- C22 H22 F2 N4 O2 -","2","1","ZQ2137","Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao","1-(4-Fluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanol","Acta Crystallographica Section E","2012","68","1","o152","","10.1107/S1600536811053505","","","0.71073","MoKα","","0.0496","0.0413","","","0.1173","0.1237","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233344","7.785","0.0002","5.7313","0.0002","26.5321","0.0007","90","","101.602","0.0015","90","","1159.63","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1-Dimethylbiguanidium(2+) dinitrate metformin nitrate","1,1-Dimethylbiguanidium(2+) dinitrate","","- C4 H13 N7 O6 -","- C4 H13 N7 O6 -","- C16 H52 N28 O24 -","4","1","ZQ2139","Fridrichová, Michaela; Císařová, Ivana; Němec, Ivan","1,1-Dimethylbiguanidium(2+) dinitrate","Acta Crystallographica Section E","2012","68","1","o18","o19","10.1107/S1600536811051105","","","0.71073","MoKα","","0.0479","0.0406","","","0.1054","0.1127","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233345","7.2232","0.0002","16.4826","0.0003","17.6098","0.0004","90","","91.666","0.001","90","","2095.69","0.08","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{2-[(pyridin-4-yl-κ<i>N</i>)sulfanyl]pyrazine}silver(I) tetrafluoridoborate","","- C18 H14 Ag B F4 N6 S2 -","- C18 H14 Ag B F4 N6 S2 -","- C72 H56 Ag4 B4 F16 N24 S8 -","4","1","ZQ2141","Wang, Zi-Jia","Bis{2-[(pyridin-4-yl-κ<i>N</i>)sulfanyl]pyrazine}silver(I) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","1","m4","","10.1107/S1600536811051270","","","0.71073","MoKα","","0.0405","0.036","","","0.111","0.116","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233346","8.752","0.006","16.308","0.01","13.001","0.008","90","","104.047","0.006","90","","1800","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dibromo-6-methoxy-4-[(phenethylamino)methylidene]cyclohexa-2,5-dien-1- one methanol monosolvate","","- C17 H19 Br2 N O3 -","- C17 H19 Br2 N O3 -","- C68 H76 Br8 N4 O12 -","4","1","ZQ2143","Ge, Rong-Bao; Chen, Yue-Hu; Wang, Feng-Ting; Wang, Shuang-Shuang; Qian, Shao-Song","2,3-Dibromo-6-methoxy-4-[(phenethylamino)methylidene]cyclohexa-2,5-dien-1-one methanol monosolvate","Acta Crystallographica Section E","2012","68","1","o117","","10.1107/S1600536811052895","","","0.71073","MoKα","","0.1371","0.0512","","","0.098","0.133","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233347","7.0535","0.0008","7.9455","0.001","12.2883","0.0015","105.151","0.002","104.855","0.002","95.296","0.002","633.09","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[(<i>Z</i>)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1<i>H</i>-indol-2- ylidene]-3-oxopropanenitrile","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C26 H20 Cl4 N4 O2 -","2","1","ZQ2144","Helliwell, Madeleine; Baradarani, Mehdi M.; Mohammadnejadaghdam, Razieh; Afghan, Arash; Joule, John A.","2-[(<i>Z</i>)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1<i>H</i>-indol-2-ylidene]-3-oxopropanenitrile","Acta Crystallographica Section E","2012","68","1","o233","","10.1107/S1600536811053906","","","0.71073","MoKα","","0.0503","0.0463","","","0.1227","0.1265","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233348","11.866","0.002","10.625","0.002","37.811","0.007","90","","105.63","0.03","90","","4590.8","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido{<i>N</i>-[(<i>E</i>)-2-(diphenylphosphanyl)benzylidene]- 2-(thiophen-2-yl)ethanamine-κ<i>P</i>}gold(I)","","- C25 H22 Au Cl N P S -","- C25 H22 Au Cl N P S -","- C200 H176 Au8 Cl8 N8 P8 S8 -","8","2","ZQ2145","Chiririwa, Haleden; Muller, Alfred","Chlorido{<i>N</i>-[(<i>E</i>)-2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2-yl)ethanamine-κ<i>P</i>}gold(I)","Acta Crystallographica Section E","2012","68","1","m49","","10.1107/S1600536811052536","","","0.71073","MoKα","","0.0869","0.0503","","","","0.1085","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233349","8.3111","0.0011","13.8493","0.0017","15.887","0.002","90","","101.588","0.002","90","","1791.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2,4-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","ZQ2146","Wu, Jianzhang; Qiu, Junyan; Wu, Xiaokai; Yang, Shulin; Liu, Yonggen","(<i>E</i>)-3-(2,4-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","1","o154","","10.1107/S1600536811053001","","","0.71073","MoKα","","0.0675","0.0462","","","0.1164","0.1263","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233350","4.7283","0.0002","17.9791","0.001","19.3865","0.0008","90","","103.646","0.002","90","","1601.54","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[2-(Methylsulfanyl)phenyl]-2-({(<i>E</i>)-2-[2- (methylsulfanyl)phenyl]hydrazinylidene}(nitro)methyl)diazene","","- C15 H15 N5 O2 S2 -","- C15 H15 N5 O2 S2 -","- C60 H60 N20 O8 S8 -","4","1","ZQ2147","von Eschwege, Karel G.; Muller, Fabian; Hosten, Eric C.","(<i>E</i>)-1-[2-(Methylsulfanyl)phenyl]-2-({(<i>E</i>)-2-[2-(methylsulfanyl)phenyl]hydrazinylidene}(nitro)methyl)diazene","Acta Crystallographica Section E","2012","68","1","o199","o200","10.1107/S1600536811054080","","","0.71073","MoKα","","0.0409","0.0306","","","0.0784","0.086","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233351","8.254","0.008","5.626","0.006","25.74","0.03","90","","90","","90","","1195","2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","6-[(<i>E</i>)-2-Phenylvinyl]-1<i>H</i>-indole","","- C16 H13 N -","- C16 H13 N -","- C64 H52 N4 -","4","1","ZS2163","Ge, Yu-Hua; Zhang, Chen-Guang; Luo, Yang-Hui","6-[(<i>E</i>)-2-Phenylvinyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","1","o73","","10.1107/S1600536811051750","","","0.71073","MoKα","","0.0563","0.0457","","","0.1226","0.1318","","","","","","1.077","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233352","9.3565","0.0003","14.0077","0.0006","16.365","0.0006","86.079","0.003","83.808","0.003","88.377","0.003","2126.87","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,8-Dimesitylboranyl-6<i>H</i>,12<i>H</i>- 5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","5-[bis(2,4,6-trimethylphenyl)boranyl]-13-[(2,4,5-trimethylphenyl)(2,4,6- trimethylphenyl)boranyl]-1,9-diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca- 2,4,6,10(15),11,13-hexaene","","- C51 H56 B2 N2 -","- C51 H56 B2 N2 -","- C102 H112 B4 N4 -","2","1","ZS2166","Yuan, Chun-Xue","2,8-Dimesitylboranyl-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","Acta Crystallographica Section E","2012","68","1","o22","","10.1107/S1600536811051051","","","0.71073","MoKα","","0.0769","0.0559","","","0.1547","0.1717","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233353","8.41","0.002","11.962","0.003","14.386","0.004","90","","95.476","0.005","90","","1440.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Tetraaquabis[bis(pyridin-3-yl)methanone-κ<i>N</i>]manganese(II) bis(perchlorate)","","- C22 H24 Cl2 Mn N4 O14 -","- C22 H24 Cl2 Mn N4 O14 -","- C44 H48 Cl4 Mn2 N8 O28 -","2","0.5","ZS2167","Liu, Bin; Zhang, Fan","<i>trans</i>-Tetraaquabis[bis(pyridin-3-yl)methanone-κ<i>N</i>]manganese(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","1","m25","","10.1107/S1600536811052184","","","0.71073","MoKα","","0.0698","0.0503","","","0.13","0.1433","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233354","6.664","0.0013","20.678","0.004","7.89","0.0016","90","","105.74","0.03","90","","1046.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Isopropylamino-3-nitrobenzonitrile","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C40 H44 N12 O8 -","4","1","ZS2168","Jia, Hong-sheng","4-Isopropylamino-3-nitrobenzonitrile","Acta Crystallographica Section E","2012","68","1","o183","","10.1107/S1600536811051737","","","0.71073","MoKα","","0.0919","0.0502","","","0.1391","0.1696","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233355","7.0261","0.0014","7.438","0.0015","8.5775","0.0017","80.09","0.03","86.22","0.03","75.37","0.03","427.14","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-nitroisophthalic acid","4-nitrobenzene-1,3-dicarboxylic acid","","- C8 H5 N O6 -","- C8 H5 N O6 -","- C16 H10 N2 O12 -","2","1","ZS2171","Luo, Yang-Hui; Pan, Mei-Ling","4-Nitroisophthalic acid","Acta Crystallographica Section E","2012","68","1","o206","","10.1107/S1600536811053797","","","0.71073","MoKα","","0.2251","0.0916","","","0.235","0.3076","","","","","","0.855","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233356","11.583","0.005","5.598","0.002","24.009","0.009","90","","102.905","0.007","90","","1517.5","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Cyclopropyl-1-(4-methylphenylsulfonyl)piperidine-3,5-diol","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","1","GG2064","Wang, Yi; Lin, Yong-Yue","3-Cyclopropyl-1-(4-methylphenylsulfonyl)piperidine-3,5-diol","Acta Crystallographica Section E","2012","68","1","o231","","10.1107/S1600536811054420","","","0.71073","MoKα","","0.0786","0.069","","","0.1237","0.1275","","","","","","1.227","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233357","10.601","0.002","15.762","0.004","16.793","0.004","90","","90","","90","","2806","1.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-Methoxy-3-(4-methoxyphenyl)chroman-4-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","2","AA2036","Peng, Zhi-Yun; Liu, Xiao-Yang; Yang, Ye-Ling; Xiang, Kai-Shuang; Xiao, Zhu-Ping","7-Methoxy-3-(4-methoxyphenyl)chroman-4-one","Acta Crystallographica Section E","2012","68","2","o250","","10.1107/S1600536811055048","","","0.71073","MoKα","","0.0896","0.0525","","","0.1265","0.1412","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233358","22.276","0.003","8.0625","0.0011","15.773","0.002","90","","123.757","0.002","90","","2355.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~2~-di-3-pyridylmethanone-κ^2^<i>N</i>:<i>N</i>')(μ~2~- hexafluorosilicato-κ^2^<i>F</i>:<i>F</i>')copper(II)] dihydrate]","","- C22 H20 Cu F6 N4 O4 Si -","- C22 H20 Cu F6 N4 O4 Si -","- C88 H80 Cu4 F24 N16 O16 Si4 -","4","0.5","AA2040","Yang, Yong-Li","Poly[[(μ~2~-di-3-pyridylmethanone-κ^2^<i>N</i>:<i>N</i>')(μ~2~-hexafluorosilicato-κ^2^<i>F</i>:<i>F</i>')copper(II)] dihydrate]","Acta Crystallographica Section E","2012","68","2","m209","","10.1107/S1600536812002267","","","0.71073","MoKα","","0.0387","0.0337","","","0.0905","0.0943","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233359","7.708","0.003","13.187","0.005","9.501","0.003","90","","97.679","0.006","90","","957.1","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3<i>R</i>,4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl- 4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,12- methanobenzofuro[3,2-<i>e</i>]isoquinolin-3-ium bromide","","- C21 H26 Br N O4 -","- C21 H26 Br N O4 -","- C42 H52 Br2 N2 O8 -","2","1","BG2437","Chen, Xiangfeng; Zong, Zaiwei; Du, Youguo; Li, Jianguo; Sun, Min","(3<i>R</i>,4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-3-ium bromide","Acta Crystallographica Section E","2012","68","2","o405","o406","10.1107/S1600536812000645","","","0.71073","MoKα","","0.0482","0.0352","","","0.0703","0.0729","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233360","7.808","0.0002","10.1485","0.0003","10.5265","0.0003","95.193","0.001","109.183","0.001","99.405","0.001","767.85","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-{[2-(trifluoromethyl)anilino]methylidene}propanedioate","","- C15 H16 F3 N O4 -","- C15 H16 F3 N O4 -","- C30 H32 F6 N2 O8 -","2","1","BG2441","Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Diethyl 2-{[2-(trifluoromethyl)anilino]methylidene}propanedioate","Acta Crystallographica Section E","2012","68","2","o514","o515","10.1107/S1600536812002590","","","0.71073","MoKα","","0.0515","0.0437","","","0.1212","0.1283","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233361","10.891","0.007","11.226","0.007","13.477","0.009","90","","95.509","0.009","90","","1640.1","1.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-[(perhydrocyclopenta[<i>c</i>]pyrrol-2-yl)aminocarbonyl]-<i>o</i>- toluenesulfonamide","1-(2-Methylphenylsulfonyl)-3-(perhydrocyclopenta[<i>c</i>]pyrrol-2-yl)urea","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","BH2389","Wu, Di; Wang, Xueyuan; Pang, Dongying; Su, Wei; Sun, Yan","Gliclazide impurity F: <i>N</i>-[(perhydrocyclopenta[<i>c</i>]pyrrol-2-yl)aminocarbonyl]-<i>o</i>-toluenesulfonamide","Acta Crystallographica Section E","2012","68","2","o446","","10.1107/S1600536811054985","","","0.71073","MoKα","","0.053","0.0444","","","0.1058","0.1134","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233362","12.133","0.011","8.684","0.008","20.983","0.019","90","","102.043","0.013","90","","2162","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-3,5-dimethoxy-<i>N</i>-{4-[(5-methyl-1,2-oxazol-3- yl)sulfamoyl]phenyl}benzamide methanol monosolvate","","- C20 H23 N3 O8 S -","- C20 H23 N3 O8 S -","- C80 H92 N12 O32 S4 -","4","1","BH2401","Pan, Wei-Gao; Zhao, Zhi-Dong; Luo, Peng; Lin, Cui-Wu; Miao, Jian-Hua","4-Hydroxy-3,5-dimethoxy-<i>N</i>-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzamide methanol monosolvate","Acta Crystallographica Section E","2012","68","2","o379","","10.1107/S1600536811055991","","","0.71073","MoKα","","0.0657","0.0489","","","0.1282","0.1395","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233363","8.989","0.003","9.032","0.003","10.621","0.004","106.68","0.002","99.95","0.003","109.72","0.002","742","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-{[2-(2-hydroxybenzylamino)ethyl]aminomethyl}phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^)cobalt(III) nitrate monohydrate","","- C32 H40 Co N5 O8 -","- C32 H40 Co N5 O8 -","- C32 H40 Co N5 O8 -","1","0.5","BH2406","Sow, Mouhamadou Moustapha; Diouf, Ousmane; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal","Bis(2-{[2-(2-hydroxybenzylamino)ethyl]aminomethyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^)cobalt(III) nitrate monohydrate","Acta Crystallographica Section E","2012","68","2","m121","m122","10.1107/S1600536811055851","","","0.7107","MoKα","","0.0581","0.0474","","","0.1166","0.1259","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233364","7.0973","0.0005","12.0957","0.0007","18.7396","0.0013","90","","96.058","0.004","90","","1599.75","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{(<i>E</i>)-[(2<i>Z</i>)-(3-Chloro-1-methyl-2,2-dioxo-3,4-dihydro- 1<i>H</i>-2,1-benzothiazin-4-ylidene)hydrazinylidene]methyl}phenol","","- C16 H14 Cl N3 O3 S -","- C16 H14 Cl N3 O3 S -","- C64 H56 Cl4 N12 O12 S4 -","4","1","BH2407","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","2-{(<i>E</i>)-[(2<i>Z</i>)-(3-Chloro-1-methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2,1-benzothiazin-4-ylidene)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E","2012","68","2","o307","","10.1107/S1600536811055978","","","0.71073","MoKα","","0.1378","0.0726","","","0.1805","0.2109","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233365","6.4319","0.0002","9.3498","0.0003","14.5505","0.0005","98.481","0.001","93.655","0.001","102.359","0.002","841.27","0.05","298","","298","","","","","","","","","3","P -1","-P 1","2","","2-Oxo-2<i>H</i>-chromen-4-yl 4-<i>tert</i>-butylbenzoate","","- C20 H18 O4 -","- C20.003 H18.009 O4 -","- C40.006 H36.018 O8 -","2","1","BH2408","Abou, Akoun; Sessouma, Bintou; Djandé, Abdoulaye; Saba, Adama; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-4-yl 4-<i>tert</i>-butylbenzoate","Acta Crystallographica Section E","2012","68","2","o537","o538","10.1107/S160053681200298X","","","0.71073","MoKα","","0.0853","0.0568","","","0.1351","0.1565","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233366","6.9925","0.0004","9.8666","0.0006","10.4238","0.0006","103.055","0.002","100.033","0.001","90.508","0.001","688.99","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(3-Hydroxyphenyl)-3-(3-methoxyphenyl)thiourea","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C28 H28 N4 O4 S2 -","2","1","BH2409","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","1-(3-Hydroxyphenyl)-3-(3-methoxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","2","o530","","10.1107/S1600536812002553","","","0.71073","MoKα","","0.0508","0.0361","","","","0.0972","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233367","12.1127","0.0008","11.7625","0.0008","18.73","0.001","90","","90","","90","","2668.6","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzoyl-2-nitrobenzenesulfonamide","","- C13 H10 N2 O5 S -","- C13 H10 N2 O5 S -","- C104 H80 N16 O40 S8 -","8","1","BQ2330","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Nirmala, B.","<i>N</i>-Benzoyl-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o339","","10.1107/S1600536811055917","","","0.71073","MoKα","","0.0678","0.0434","","","0.0976","0.1102","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233368","11.924","0.0017","11.924","0.0017","20.111","0.004","90","","90","","120","","2476.3","0.7","293","2","293","2","","","","","","","","5","P 61","P 61","169","","5-Methoxy-1,3,4-thiadiazol-2(3<i>H</i>)-one","","- C3 H4 N2 O2 S -","- C3 H4 N2 O2 S -","- C54 H72 N36 O36 S18 -","18","3","BQ2331","Zhang, Wei-Yi; Liu, Jie; Liu, Yan-Ju","5-Methoxy-1,3,4-thiadiazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","2","o475","","10.1107/S160053681200178X","","","0.71073","MoKα","","0.0844","0.0555","","","0.1184","0.1331","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233369","21.601","0.003","8.5238","0.0012","21.187","0.003","90","","106.175","0.004","90","","3746.6","0.9","293","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-2-[(4-Methylphenyl)sulfonyl]-1,2-diphenyletheneselenol","","- C21 H18 O2 S Se -","- C21 H18 O2 S Se -","- C168 H144 O16 S8 Se8 -","8","1","BQ2332","Natarajan, Sampath; Mathews, Rita","(<i>Z</i>)-2-[(4-Methylphenyl)sulfonyl]-1,2-diphenyletheneselenol","Acta Crystallographica Section E","2012","68","2","o442","","10.1107/S1600536812001638","","","0.71073","MoKα","","0.0583","0.04","","","0.1043","0.1143","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233370","12.227","0.001","12.854","0.001","18.317","0.002","90","","90","","90","","2878.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Methylbenzoyl)-2-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C112 H96 N16 O40 S8 -","8","1","BQ2333","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Methylbenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o462","","10.1107/S160053681200164X","","","0.71073","MoKα","","0.0593","0.044","","","0.1127","0.1244","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233371","16.674","0.005","19.819","0.008","7.549","0.001","90","","90.08","0.005","90","","2494.7","1.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-Bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-one <i>O</i>-benzyloxime","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C112 H128 N8 O12 -","4","1","BQ2334","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,6-Bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-one <i>O</i>-benzyloxime","Acta Crystallographica Section E","2012","68","2","o524","","10.1107/S1600536812002140","","","0.71069","MoKα","","0.0877","0.048","","","0.1301","0.1604","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233372","4.8026","0.0015","10.785","0.003","15.086","0.004","67.64","0.02","79.43","0.02","85.32","0.02","710.3","0.4","73","2","73","2","","","","","","","","6","P -1","-P 1","2","","1-[Amino(4-chlorophenyl)methyl]-6-bromonaphthalen-2-ol","","- C17 H13 Br Cl N O -","- C17 H13 Br Cl N O -","- C34 H26 Br2 Cl2 N2 O2 -","2","1","BQ2335","Praveen, A. S.; Yathirajan, H. S.; Harrison, William T. A.; Slawin, Alexandra M. Z.","1-[Amino(4-chlorophenyl)methyl]-6-bromonaphthalen-2-ol","Acta Crystallographica Section E","2012","68","2","o535","","10.1107/S1600536812002905","","","0.71073","MoKα","","0.0386","0.035","","","0.0793","0.0818","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233373","7.2163","0.0002","20.9627","0.0004","22.4624","0.0004","90","","90","","90","","3397.96","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate","","- C16 H21 B O6 -","- C16 H21 B O6 -","- C128 H168 B8 O48 -","8","1","BT5730","Yi, Long-tao; Liu, Zhi-qiang","1,3-Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o275","","10.1107/S1600536811054559","","","0.71073","MoKα","","0.0931","0.0462","","","0.1161","0.1419","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233374","5.7558","0.0003","21.6262","0.0009","15.1337","0.0007","90","","93.72","0.001","90","","1879.81","0.15","296","2","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (2<i>R</i>,3<i>S</i>)-2-benzoyl-3-(4-bromophenyl)-4-nitrobutanoate","","- C19 H18 Br N O5 -","- C19 H18 Br N O5 -","- C76 H72 Br4 N4 O20 -","4","2","BT5738","Wang, Yifeng; Wang, Ke; Li, Zhaobo; Xu, Danqian","Ethyl (2<i>R</i>,3<i>S</i>)-2-benzoyl-3-(4-bromophenyl)-4-nitrobutanoate","Acta Crystallographica Section E","2012","68","2","o499","","10.1107/S1600536812002073","","","0.71073","MoKα","","0.103","0.0457","","","0.097","0.1272","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233375","8.9172","0.0004","9.9953","0.0004","11.5931","0.0006","81.257","0.003","76.638","0.003","83.805","0.002","990.79","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2'-Hydroxymethyl-1'-(4-methylphenyl)-2'-nitro-1',2',5',6',7',7a'- hexahydrospiro[indoline-3,3'-pyrrolizin]-2-one","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C44 H46 N6 O8 -","2","1","BT5744","Sathya, S.; Bhaskaran, Sundari; Usha, G.; Sivakumar, N.; Bakthadoss, M.","2'-Hydroxymethyl-1'-(4-methylphenyl)-2'-nitro-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizin]-2-one","Acta Crystallographica Section E","2012","68","2","o277","","10.1107/S1600536811055449","","","0.71073","MoKα","","0.0643","0.0483","","","0.1614","0.1754","","","","","","1.25","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233376","16.3469","0.0006","8.9579","0.0003","16.1505","0.0005","90","","109.105","0.002","90","","2234.72","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Diaminomethylidene)sulfonium chloride‒thiourea (3/2)","","- C5 H23 Cl3 N10 S5 -","- C5 H23 Cl3 N10 S5 -","- C20 H92 Cl12 N40 S20 -","4","1","BT5746","Zouihri, Hafid","(Diaminomethylidene)sulfonium chloride‒thiourea (3/2)","Acta Crystallographica Section E","2012","68","2","o257","","10.1107/S1600536811052809","","","0.71073","MoKα","","0.0332","0.0262","","","0.0649","0.0677","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233377","12.148","0.005","12.333","0.005","16.522","0.005","90","","108.768","0.005","90","","2343.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)-3-<i>p</i>-tolylpropanoate","","- C26 H24 N2 O2 Se -","- C26 H24 N2 O2 Se -","- C104 H96 N8 O8 Se4 -","4","1","BT5750","Sankari, S.; Sugumar, P.; Manisankar, T.; Muthusubramanian, S.; Ponnuswamy, M. N.","Ethyl 2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)-3-<i>p</i>-tolylpropanoate","Acta Crystallographica Section E","2012","68","2","o447","","10.1107/S1600536811056017","","","0.71073","MoKα","","0.0822","0.0417","","","0.098","0.1143","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233378","12.266","0.001","12.643","0.001","18.738","0.002","90","","90","","90","","2905.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Chlorobenzoyl)-2-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","BT5759","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorobenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o274","","10.1107/S1600536811054882","","","0.71073","MoKα","","0.0571","0.037","","","0.0888","0.0961","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233379","11.863","0.004","19.52","0.007","14.402","0.005","90","","98.486","0.008","90","","3298","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Butylbis(diphenylglyoximato)(pyridine-κN)cobalt(III)","","- C37 H36 Co N5 O4 -","- C37 H36 Co N5 O4 -","- C148 H144 Co4 N20 O16 -","4","1","BT5764","Kumar, Sarvendra; Thapa, Suresh","Butylbis(diphenylglyoximato)(pyridine-κ<i>N</i>)cobalt(III)","Acta Crystallographica Section E","2012","68","2","m115","","10.1107/S1600536812000153","","","0.71073","MoKα","","0.1326","0.069","","","0.1476","0.1842","","","","","","0.97","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233380","9.2721","0.0002","13.6449","0.0003","17.1883","0.0004","90","","90","","90","","2174.61","0.08","120","0.14","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,1'-[(2-Phenyl-2,3-dihydro-1<i>H</i>-benzimidazole-1,3- diyl)bis(methylene)]bis(1<i>H</i>-benzotriazole)","","- C27 H22 N8 -","- C27 H22 N8 -","- C108 H88 N32 -","4","1","BT5766","Rivera, Augusto; Osorio, Hector Jairo; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1,1'-[(2-Phenyl-2,3-dihydro-1<i>H</i>-benzimidazole-1,3-diyl)bis(methylene)]bis(1<i>H</i>-benzotriazole)","Acta Crystallographica Section E","2012","68","2","o301","","10.1107/S1600536811055486","","","1.5418","CuKα","","0.0276","0.0267","","","0.0789","0.0795","","","","","","1.8","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233381","11.8609","0.0006","4.6429","0.0002","14.4712","0.0008","90","","93.053","0.004","90","","795.78","0.07","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1<i>H</i>-benzotriazole)","","- C17 H18 N8 -","- C17 H18 N8 -","- C34 H36 N16 -","2","1","BT5768","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1<i>H</i>-benzotriazole)","Acta Crystallographica Section E","2012","68","2","o312","o313","10.1107/S1600536812000232","","","1.5418","CuKα","","0.0285","0.0269","","","0.0719","0.0729","","","","","","1.52","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233382","8.8626","0.0003","9.4552","0.0003","17.408","0.0005","90","","90","","90","","1458.75","0.08","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(1a,4a-dimethyl-2,8-dioxo-2,3,4,4a,5,6,7,8-octahydro-1a<i>H</i>- 1-oxacyclopropa[<i>d</i>]naphthalen-7-yl)acrylate","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","BT5772","Tebbaa, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Mellouki, Fouad; Berraho, Moha","Methyl 2-(1a,4a-dimethyl-2,8-dioxo-2,3,4,4a,5,6,7,8-octahydro-1a<i>H</i>-1-oxacyclopropa[<i>d</i>]naphthalen-7-yl)acrylate","Acta Crystallographica Section E","2012","68","2","o387","","10.1107/S1600536812000086","","","0.71073","MoKα","","0.0299","0.0281","","","0.0744","0.0754","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233383","6.3875","0.0003","16.2896","0.0008","11.6054","0.0006","90","","96.039","0.003","90","","1200.84","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Phenylthieno[2,3-<i>b</i>]quinoxaline","","- C16 H10 N2 S -","- C16 H10 N2 S -","- C64 H40 N8 S4 -","4","1","BT5773","Ramli, Youssef; Zouihri, Hafid; Azougagh, Mohamed; Moussaif, Ahmed; Essassi, El Mokhtar","2-Phenylthieno[2,3-<i>b</i>]quinoxaline","Acta Crystallographica Section E","2012","68","2","o396","","10.1107/S1600536812000098","","","0.71073","MoKα","","0.0491","0.0411","","","0.1055","0.1087","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233384","7.6224","0.0004","7.9139","0.0004","11.7536","0.0005","90","","91.341","0.004","90","","708.82","0.06","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-3-[(2-Methyl-4-nitrophenyl)iminomethyl]-1-benzothiophene","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C32 H24 N4 O4 S2 -","2","1","BT5774","Inaç, Hasan; Dege, Necmi; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(<i>E</i>)-3-[(2-Methyl-4-nitrophenyl)iminomethyl]-1-benzothiophene","Acta Crystallographica Section E","2012","68","2","o361","","10.1107/S1600536812000190","","","0.7107","MoKα","","","0.0374","","","","0.089","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233385","6.6825","0.0006","7.7926","0.0005","23.718","0.0012","90","","90","","90","","1235.09","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","BT5776","Kan Kaynar, Nihal; Gümüs, Sümeyye; Ağar, Erbil; Büyükgüngör, Orhan; Yavuz, Metin","(<i>Z</i>)-2-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","2","o393","","10.1107/S160053681200044X","","","0.71073","MoKα","","0.0639","0.0371","","","0.0625","0.0689","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233386","5.5058","0.0011","15.734","0.003","21.302","0.004","90","","90","","90","","1845.4","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>,<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4- chlorobenzylidene)cyclohexane-1,2-diamine","","- C20 H20 Cl2 N2 -","- C20 H20 Cl2 N2 -","- C80 H80 Cl8 N8 -","4","1","BT5777","Arvinnezhad, Hamid; Jadidi, Khosrow; Notash, Behrouz","(1<i>R</i>,2<i>R</i>,<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2012","68","2","o407","o408","10.1107/S1600536812000724","","","0.71073","MoKα","","0.0726","0.0537","","","0.1045","0.1134","","","","","","1.125","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233387","11.9274","0.0003","15.6064","0.0006","7.2949","0.0003","90","","90","","90","","1357.9","0.08","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl (2<i>E</i>)-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-3- phenylprop-2-enoate","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C56 H52 N4 O16 S4 -","4","1","BT5778","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2<i>E</i>)-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","2","o328","o329","10.1107/S1600536812000578","","","0.71073","MoKα","","0.0366","0.03","","","0.0778","0.0819","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233388","7.9528","0.0003","9.5396","0.0003","15.3299","0.0005","88.253","0.002","83.571","0.001","76.215","0.002","1122.42","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2<i>Z</i>)-2-({<i>N</i>-[2-(hydroxymethyl)phenyl]-4- methylbenzenesulfonamido}methyl)-3-phenylprop-2-enoate","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C50 H50 N2 O10 S2 -","2","1","BT5779","Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2<i>Z</i>)-2-({<i>N</i>-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamido}methyl)-3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","2","o418","o419","10.1107/S1600536812000864","","","0.71073","MoKα","","0.0617","0.0423","","","0.1138","0.127","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233389","8.0162","0.0003","12.0887","0.0005","13.8703","0.0006","107.788","0.002","90.068","0.001","93.446","0.002","1277.27","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)- 4-methylbenzenesulfonamido]methyl}-3-(naphthalen-1-yl)prop-2-enoate","","- C29 H25 N O5 S -","- C29 H25 N O5 S -","- C58 H50 N2 O10 S2 -","2","1","BT5780","Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(naphthalen-1-yl)prop-2-enoate","Acta Crystallographica Section E","2012","68","2","o330","o331","10.1107/S160053681200058X","","","0.71073","MoKα","","0.0634","0.0403","","","0.1026","0.1157","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233390","15.8236","0.0011","13.5901","0.0009","7.9189","0.0006","90","","102.96","0.001","90","","1659.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,3-Di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(thiocyanato- κ<i>S</i>)palladium(II)","","- C16 H10 N6 Pd S2 -","- C16 H10 N6 Pd S2 -","- C64 H40 N24 Pd4 S8 -","4","1","BT5782","Ha, Kwang","(2,3-Di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(thiocyanato-κ<i>S</i>)palladium(II)","Acta Crystallographica Section E","2012","68","2","m144","","10.1107/S1600536812000980","","","0.71073","MoKα","","0.0809","0.0455","","","0.0841","0.1002","","","","","","1","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233391","16.3698","0.0009","6.7787","0.0002","15.9609","0.0009","90","","105.284","0.004","90","","1708.47","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Chloro-4-(4-chlorophenoxy)-<i>N</i>-[(<i>Z</i>)-(5-nitrothiophen-2- yl)methylidene]aniline","","- C17 H10 Cl2 N2 O3 S -","- C17 H10 Cl2 N2 O3 S -","- C68 H40 Cl8 N8 O12 S4 -","4","1","BT5785","Özdemir Tarı, Gonca; Işık, Şamil","3-Chloro-4-(4-chlorophenoxy)-<i>N</i>-[(<i>Z</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","2","o415","","10.1107/S1600536812001316","","","0.71073","MoKα","","0.0754","0.0503","","","0.1138","0.1235","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233392","11.285","0.002","15.048","0.003","17.576","0.004","90","","90","","90","","2984.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{2-[(2,4-dimethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}bis(thiocyanato-κ<i>N</i>)cadmium","","- C30 H28 Cd N6 S2 -","- C30 H28 Cd N6 S2 -","- C120 H112 Cd4 N24 S8 -","4","0.5","BT5786","Malekshahian, Mohammad; Talei Bavil Olyai, Mohamad Reza; Notash, Behrouz","Bis{2-[(2,4-dimethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}bis(thiocyanato-κ<i>N</i>)cadmium","Acta Crystallographica Section E","2012","68","2","m218","m219","10.1107/S1600536812002772","","","0.71073","MoKα","","0.049","0.0254","","","0.0688","0.0751","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233393","9.477","0.0019","20.109","0.004","34.595","0.007","90","","90","","90","","6593","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-<i>tert</i>-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol","","- C21 H21 N O -","- C21 H21 N O -","- C336 H336 N16 O16 -","16","2","BT5787","Jamjah, Roghayieh; Nekoomanesh, Mehdi; Zahedi, Roya; Zohuri, Gholamhossein; Afshar Taromi, Faramarz; Notash, Behrouz","(<i>E</i>)-2-<i>tert</i>-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","2","o522","","10.1107/S1600536812002395","","","0.71073","MoKα","","0.1118","0.0671","","","0.1347","0.1545","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233394","26.6096","0.0006","5.3869","0.0001","17.1043","0.0004","90","","114.689","0.003","90","","2227.66","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-2-Amino-1,2-diphenylethanol","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","1","BT5788","Bari, Ahmed; Al-Obaid, Abdulrahman M.; Ng, Seik Weng","<i>rac</i>-2-Amino-1,2-diphenylethanol","Acta Crystallographica Section E","2012","68","2","o491","","10.1107/S1600536812002000","","","1.54184","CuKα","","0.0328","0.0315","","","0.0837","0.0851","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233395","27.4279","0.0007","5.69216","0.00011","17.191","0.0005","90","","116.223","0.003","90","","2407.7","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-2-Methylamino-1,2-diphenylethanol","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","1","BT5789","Bari, Ahmed; Al-Obaid, Abdulrahman M.; Ng, Seik Weng","<i>rac</i>-2-Methylamino-1,2-diphenylethanol","Acta Crystallographica Section E","2012","68","2","o492","","10.1107/S1600536812002012","","","1.54184","CuKα","","0.0368","0.0344","","","0.0899","0.0918","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233396","7.605","0.003","9.748","0.003","12.098","0.004","86.036","0.004","73.869","0.004","68.684","0.003","802.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Anilino-1-ferrocenylpropan-1-one","","- C19 H19 Fe N O -","- C19 H19 Fe N O -","- C38 H38 Fe2 N2 O2 -","2","1","BT5790","Leka, Zorica; Novaković, Sladjana B.; Stevanović, Dragana; Bogdanović, Goran A.; Vukićević, Rastko D.","3-Anilino-1-ferrocenylpropan-1-one","Acta Crystallographica Section E","2012","68","2","m229","","10.1107/S1600536812003492","","","0.71073","MoKα","","0.0509","0.0336","","","0.0863","0.091","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233397","7.553","0.002","9.778","0.003","13.64","0.004","86.83","0.02","74.62","0.03","67.71","0.03","897.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Ferrocenyl-3-(4-methylanilino)propan-1-one","","- C20 H21 Fe N O -","- C20 H21 Fe N O -","- C40 H42 Fe2 N2 O2 -","2","1","BT5791","Leka, Zorica; Novaković, Sladjana B.; Stevanović, Dragana; Bogdanović, Goran A.; Vukićević, Rastko D.","1-Ferrocenyl-3-(4-methylanilino)propan-1-one","Acta Crystallographica Section E","2012","68","2","m230","","10.1107/S1600536812003509","","","0.71073","MoKα","","0.0549","0.0411","","","0.1098","0.1153","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233398","7.6602","0.0004","9.6438","0.0004","12.0626","0.0006","86.548","0.004","73.59","0.004","69.138","0.004","797.95","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-Ferrocenyl-3-(3-fluoroanilino)propan-1-one","","- C19 H18 F Fe N O -","- C19 H18 F Fe N O -","- C38 H36 F2 Fe2 N2 O2 -","2","1","BT5792","Leka, Zorica; Novaković, Sladjana B.; Pejović, Anka; Bogdanović, Goran A.; Vukićević, Rastko D.","1-Ferrocenyl-3-(3-fluoroanilino)propan-1-one","Acta Crystallographica Section E","2012","68","2","m231","","10.1107/S1600536812003510","","","0.71073","MoKα","","0.0717","0.0491","","","0.0889","0.1017","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233399","11.1212","0.0003","12.5865","0.0003","20.069","0.0005","106.891","0.001","102.344","0.001","94.483","0.001","2596.13","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di- <i>tert</i>-butylphenyl-κ<i>C</i>^1^}[(1,2,5,6-η)-cycloocta-1,5- diene]rhodium(I) toluene monosolvate","","- C57 H82 O3 P Rh -","- C57 H82 O3 P Rh -","- C114 H164 O6 P2 Rh2 -","2","1","BT5795","Selent, Detlef; Spannenberg, Anke; Börner, Armin","{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}[(1,2,5,6-η)-cycloocta-1,5-diene]rhodium(I) toluene monosolvate","Acta Crystallographica Section E","2012","68","2","m215","","10.1107/S1600536812002851","","","0.71073","MoKα","","0.0294","0.0265","","","0.0666","0.0691","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233400","9.102","0.0005","11.6866","0.0005","13.3534","0.0005","69.1646","0.0011","84.2052","0.0016","76.9358","0.0016","1292.84","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis[μ-3-(4-carboxyphenoxy)propionato]- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^- bis[aqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cadmium]]-μ- 4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]","","- C46 H52 Cd2 N8 O20 -","- C46 H52 Cd2 N8 O20 -","- C46 H52 Cd2 N8 O20 -","1","0.5","BT5796","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[bis[μ-3-(4-carboxyphenoxy)propionato]-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[aqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cadmium]]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]","Acta Crystallographica Section E","2012","68","2","m214","","10.1107/S1600536812002991","","","0.71073","MoKα","","0.0444","0.0304","","","0.0657","0.0766","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233401","7.6518","0.0003","11.3553","0.0005","13.5294","0.0006","77.2436","0.0014","85.6236","0.0013","73.3105","0.0013","1098.13","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[triaqua[μ~4~-3-(4-carboxylatophenoxy)propionato- κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''][μ~3~-3-(4- carboxylatophenoxy)propionato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']dizinc]","","- C20 H22 O13 Zn2 -","- C20 H22 O13 Zn2 -","- C40 H44 O26 Zn4 -","2","1","BT5797","Gao, Shan; Ng, Seik Weng","Poly[triaqua[μ~4~-3-(4-carboxylatophenoxy)propionato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''][μ~3~-3-(4-carboxylatophenoxy)propionato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']dizinc]","Acta Crystallographica Section E","2012","68","2","m223","m224","10.1107/S1600536812003200","","","0.71073","MoKα","","0.035","0.0263","","","0.0669","0.0738","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233402","14.606","0.002","5.1159","0.0004","18.742","0.002","90","","93.336","0.009","90","","1398.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Chlorobenzoyl)-3-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C52 H36 Cl4 N8 O20 S4 -","4","1","BT5798","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorobenzoyl)-3-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o543","","10.1107/S1600536812003236","","","0.71073","MoKα","","0.0952","0.0576","","","0.0917","0.1035","","","","","","1.186","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233403","9.212","0.004","9.37","0.004","14.295","0.005","85.3","0.03","84.83","0.03","69.08","0.03","1146.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Chlorido(1,2-dimethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^){2- [(diphenoxyphosphanyl)oxy]phenyl-κ^2^<i>C</i>^1^,<i>P</i>}palladium(II)","","- C23 H22 Cl N2 O3 P Pd -","- C23 H22 Cl N2 O3 P Pd -","- C46 H44 Cl2 N4 O6 P2 Pd2 -","2","1","BT5799","Błaszczyk, Izabela; Trzeciak, Anna M.; Gniewek, Andrzej","Chlorido(1,2-dimethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^){2-[(diphenoxyphosphanyl)oxy]phenyl-κ^2^<i>C</i>^1^,<i>P</i>}palladium(II)","Acta Crystallographica Section E","2012","68","2","m227","m228","10.1107/S1600536812003431","","","0.71073","MoKα","","0.0314","0.0294","","","0.0818","0.0822","","","","","","1.365","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233404","8.8814","0.0008","9.8586","0.001","26.434","0.003","90","","90","","90","","2314.5","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Ammonium diamminesilver(I) bis(5-chloro-2-hydroxybenzenesulfonate) trihydrate","","- C12 H24 Ag Cl2 N3 O11 S2 -","- C12 H24 Ag Cl2 N3 O11 S2 -","- C48 H96 Ag4 Cl8 N12 O44 S8 -","4","1","BT5802","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Ammonium diamminesilver(I) bis(5-chloro-2-hydroxybenzenesulfonate) trihydrate","Acta Crystallographica Section E","2012","68","2","m225","","10.1107/S160053681200339X","","","0.71073","MoKα","","0.0342","0.0319","","","0.0815","0.0835","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233405","9.3578","0.0019","7.8579","0.0016","9.844","0.002","90","","110.53","0.03","90","","677.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-hydroxyethanaminium) terephthalate","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C24 H40 N4 O12 -","2","0.5","BX2389","Jin, Yu","Bis(2-hydroxyethanaminium) terephthalate","Acta Crystallographica Section E","2012","68","2","o336","","10.1107/S1600536812000293","","","0.71073","MoKα","","0.0562","0.0444","","","0.1037","0.1084","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233406","29.008","0.016","16.146","0.008","12.068","0.006","90","","110.486","0.009","90","","5295","5","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4<i>R</i>,7<i>S</i>)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl- 5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile monohydrate","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C192 H192 N16 O40 -","8","1","BX2390","Sun, Rong; Wu, Dong-Dong; Wang, Ke; Huang, Wei; Ou, Yang-Bing","(4<i>R</i>,7<i>S</i>)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile monohydrate","Acta Crystallographica Section E","2012","68","2","o409","o410","10.1107/S1600536811056285","","","0.71073","MoKα","","0.0896","0.0584","","","0.125","0.1316","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233407","16.8264","0.0003","8.7627","0.0001","13.3545","0.0002","90","","104.248","0.001","90","","1908.48","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","BX2395","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o480","","10.1107/S1600536812001791","","","0.71073","MoKα","","0.0586","0.0383","","","0.0938","0.1028","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233408","5.9602","0.0003","17.2164","0.0008","17.7222","0.0008","90","","90","","90","","1818.53","0.15","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2'-[1,3-Diazinane-1,3-diylbis(methylene)]bis(4-bromophenol)","","- C18 H20 Br2 N2 O2 -","- C18 H20 Br2 N2 O2 -","- C72 H80 Br8 N8 O8 -","4","1","BX2397","Rivera, Augusto; Trujillo, Ginna Paola; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","2,2'-[1,3-Diazinane-1,3-diylbis(methylene)]bis(4-bromophenol)","Acta Crystallographica Section E","2012","68","2","o498","","10.1107/S1600536812001985","","","1.5418","CuKα","","0.0255","0.0228","","","0.0541","0.0555","","","","","","1.37","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233409","9.0542","0.0011","9.7287","0.0009","9.894","0.001","80.78","0.01","71.02","0.01","62.39","0.01","730.24","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzyltrimethylammonium) di-μ-bromido-bis[dibromidomercurate(II)]","","- C20 H32 Br6 Hg2 N2 -","- C20 H32 Br6 Hg2 N2 -","- C20 H32 Br6 Hg2 N2 -","1","0.5","CV5212","Jin, Lei","Bis(benzyltrimethylammonium) di-μ-bromido-bis[dibromidomercurate(II)]","Acta Crystallographica Section E","2012","68","2","m123","","10.1107/S1600536811055887","","","0.71073","MoKα","","0.0792","0.0523","","","0.1197","0.131","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233410","4.2613","0.0001","26.5565","0.0006","10.3983","0.0002","90","","98.123","0.001","90","","1164.92","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-{[(Pyridin-4-ylmethylidene)amino]methyl}benzoic acid","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","CV5218","Han, Sun Hwa; Lee, Soon W.","(<i>E</i>)-4-{[(Pyridin-4-ylmethylidene)amino]methyl}benzoic acid","Acta Crystallographica Section E","2012","68","2","o294","","10.1107/S1600536811056212","","","0.71073","MoKα","","0.0798","0.047","","","0.1032","0.1176","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233411","5.1786","0.0002","15.3176","0.0005","20.3554","0.0014","98.495","0.007","92.109","0.007","91.12","0.006","1595.36","0.14","123","2","123","2","","","","","","","","4","P 1","P 1","1","","(9<i>H</i>-Fluoren-9-yl)methyl <i>N</i>-{(2<i>R</i>,3<i>R</i>,4<i>S</i>)- 4-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-5- oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate","","- C30 H37.667 N O6.333 -","- C30.0005 H37.668 N O6.3335 -","- C60.001 H75.336 N2 O12.667 -","2","2","CV5219","Gainsford, Graeme J.; Luxenburger, Andreas","(9<i>H</i>-Fluoren-9-yl)methyl <i>N</i>-{(2<i>R</i>,3<i>R</i>,4<i>S</i>)-4-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-5-oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate","Acta Crystallographica Section E","2012","68","2","o403","o404","10.1107/S1600536811055139","","","1.54178","CuKα","","0.1188","0.0952","","","0.2311","0.2605","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233412","10.854","0.002","11.995","0.002","12.202","0.003","63.257","0.003","71.881","0.003","74.736","0.003","1334","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Decacarbonyl[μ~4~-(ethane-1,2-diyldinitrilo)tetrakis(methanethiolato)] bis(triphenylphosphane)tetrairon(2 <i>Fe</i>—<i>Fe</i>)","","- C52 H42 Fe4 N2 O10 P2 S4 -","- C52 H42 Fe4 N2 O10 P2 S4 -","- C52 H42 Fe4 N2 O10 P2 S4 -","1","0.5","CV5221","Gao, Wei-Ming; Li, Jia-Ming","Decacarbonyl[μ~4~-(ethane-1,2-diyldinitrilo)tetrakis(methanethiolato)]bis(triphenylphosphane)tetrairon(2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2012","68","2","m118","","10.1107/S160053681105584X","","","0.71073","MoKα","","0.0972","0.0554","","","0.0821","0.09","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233413","5.4407","0.0017","8.634","0.003","22.317","0.007","90","","96.327","0.004","90","","1042","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-carboxy-2-(1-methylpyridin-1-ium-4-yl)-1<i>H</i>-imidazole-5-carboxylate","","- C11 H9 N3 O4 -","- C11 H9 N3 O4 -","- C44 H36 N12 O16 -","4","1","CV5222","Liu, Dao-Sen; Fang, Jun-Guo","Zwitterionic 4-carboxy-2-(1-methylpyridin-1-ium-4-yl)-1<i>H</i>-imidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","2","o358","","10.1107/S1600536811055644","","","0.71073","MoKα","","0.0816","0.0565","","","0.1514","0.1674","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233414","10.6511","0.0013","23.321","0.003","7.0111","0.0008","90","","105.044","0.007","90","","1681.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(5-carboxypyridine-3-carboxylato- κ<i>N</i>)copper(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] monohydrate","","- C17 H16 Cu N3 O6 -","- C17 H16 Cu N3 O6 -","- C68 H64 Cu4 N12 O24 -","4","1","CV5224","Liu, Gang; Qin, Gao","<i>catena</i>-Poly[[[aqua(5-carboxypyridine-3-carboxylato-κ<i>N</i>)copper(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] monohydrate]","Acta Crystallographica Section E","2012","68","2","m120","","10.1107/S1600536811055656","","","0.71073","MoKα","","0.0495","0.0357","","","0.1075","0.1271","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233415","13.221","0.002","9.5336","0.0018","21.62","0.002","90","","90","","90","","2725.1","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Hydroxybenzylidene)-3-methoxybenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","CV5225","Tang, Chun-Bao","<i>N</i>'-(4-Hydroxybenzylidene)-3-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","2","o296","","10.1107/S1600536811055565","","","0.71073","MoKα","","0.0954","0.0611","","","0.1046","0.1167","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233416","12.511","0.003","12.564","0.003","13.601","0.003","88.13","0.03","70.62","0.03","65.84","0.03","1826.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(3,4- diethoxyphenyl)prop-2-en-1-one ethanol disolvate","","- C36 H50 N2 O7 -","- C36 H50 N2 O7 -","- C72 H100 N4 O14 -","2","1","CV5226","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(3,4-diethoxyphenyl)prop-2-en-1-one ethanol disolvate","Acta Crystallographica Section E","2012","68","2","o298","","10.1107/S1600536811055796","","","0.71073","MoKα","","0.1602","0.0695","","","0.1366","0.1657","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233417","23.451","0.005","11.837","0.002","10.684","0.002","90","","101.17","0.03","90","","2909.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(Adamantan-1-ylamino)methyl]phenol","","- C17 H23 N O -","- C17 H23 N O -","- C136 H184 N8 O8 -","8","2","CV5227","Wang, Ying-Chun; Tao, Rong","2-[(Adamantan-1-ylamino)methyl]phenol","Acta Crystallographica Section E","2012","68","2","o293","","10.1107/S1600536811056194","","","0.71073","MoKα","","0.1773","0.0739","","","0.1412","0.1779","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233418","12.3775","0.0007","12.8109","0.0008","13.5834","0.0009","101.497","0.004","99.142","0.003","99.718","0.003","2038.6","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Diethyl-2-hydroxyethanaminium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate hemihydrate","","- C16 H21 Cl N5 O8.5 -","- C16 H21 Cl N5 O8.5 -","- C64 H84 Cl4 N20 O34 -","4","2","CV5228","Babykala, Rajamanickam; Kalaivani, Doraisamyraja","<i>N</i>,<i>N</i>-Diethyl-2-hydroxyethanaminium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate hemihydrate","Acta Crystallographica Section E","2012","68","2","o541","","10.1107/S1600536812003248","","","0.71073","MoKα","","0.0575","0.0434","","","0.1253","0.1376","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233419","7.3776","0.0012","16.038","0.003","12.1787","0.0019","90","","102.199","0.002","90","","1408.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquamagnesium(II) bis{5-[3-(1<i>H</i>-tetrazol-5-yl)phenyl]tetrazolide} tetrahydrate","","- C16 H30 Mg N16 O10 -","- C16 H30 Mg N16 O10 -","- C32 H60 Mg2 N32 O20 -","2","0.5","CV5229","Qiao, Cheng-Fang; Zhou, Chun-Sheng","Hexaaquamagnesium(II) bis{5-[3-(1<i>H</i>-tetrazol-5-yl)phenyl]tetrazolide} tetrahydrate","Acta Crystallographica Section E","2012","68","2","m173","","10.1107/S1600536812001250","","","0.71073","MoKα","","0.0523","0.0429","","","0.1172","0.1263","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233420","10.4653","0.0015","8.0606","0.0012","13.711","0.002","90","","108.702","0.001","90","","1095.5","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Dimethyl-<i>N</i>^1^,<i>N</i>^4^-bis(1-phenylethyl)-1,4-dihydro- 1,2,4,5-tetrazine-1,4-dicarboxamide","","- C22 H26 N6 O2 -","- C22 H26 N6 O2 -","- C44 H52 N12 O4 -","2","1","CV5230","Rao, Guo-Wu; Li, Qi; Lu, Xiao-Jing","3,6-Dimethyl-<i>N</i>^1^,<i>N</i>^4^-bis(1-phenylethyl)-1,4-dihydro-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","2","o428","","10.1107/S160053681200133X","","","0.71073","MoKα","","0.0298","0.0278","","","0.0704","0.0722","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233421","16.791","0.002","18.218","0.002","7.7461","0.0009","90","","92.233","0.002","90","","2367.7","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- bis[diaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc] bis[2-(1<i>H</i>-benzotriazol-1-yl)acetate] hexahydrate","","- C38 H48 N10 O18 Zn2 -","- C38 H48 N10 O18 Zn2 -","- C76 H96 N20 O36 Zn4 -","2","0.5","CV5232","Zeng, Ling; Wang, Qinglin","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[diaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc] bis[2-(1<i>H</i>-benzotriazol-1-yl)acetate] hexahydrate","Acta Crystallographica Section E","2012","68","2","m196","","10.1107/S1600536812001778","","","0.71073","MoKα","","0.1174","0.0541","","","0.0889","0.111","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233422","15.259","0.002","17.957","0.003","18.665","0.003","111.163","0.002","98.201","0.002","111.273","0.002","4218.3","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-chloro-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(thiocyanato- κ<i>N</i>)zinc (2-chloro-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')tris(thiocyanato-κ<i>N</i>)zincate","","- C40 H21 Cl3 N10 S4 Zn2 -","- C40 H21 Cl3 N10 S4 Zn2 -","- C160 H84 Cl12 N40 S16 Zn8 -","4","2","CV5234","Liu, Qing Hua; Liu, Shu Lian; Chi, Yan Hui; Shi, Jing Min","Bis(2-chloro-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)zinc (2-chloro-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tris(thiocyanato-κ<i>N</i>)zincate","Acta Crystallographica Section E","2012","68","2","m202","","10.1107/S1600536812002280","","","0.71073","MoKα","","0.1201","0.0719","","","0.2227","0.2497","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233423","9.8169","0.0015","9.8846","0.0015","20.601","0.003","81.133","0.005","82.922","0.006","84.085","0.006","1952.9","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetraphenyl-1<i>H</i>-imidazole","","- C27 H20 N2 -","- C27 H20 N2 -","- C108 H80 N8 -","4","2","CV5236","Zhao, Bing; Li, Zhi-yu; Fan, Meng-jiao; Song, Bo; Deng, Qi-gang","1,2,4,5-Tetraphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","2","o542","","10.1107/S1600536812003145","","","0.71073","MoKα","","0.0503","0.0367","","","0.0851","0.0901","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233424","6.6884","0.0003","16.9271","0.0005","13.5543","0.0004","90","","100.186","0.003","90","","1510.37","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)nickel(II) bis(3-hydroxybenzoate) tetrahydrate","","- C26 H38 N4 Ni O16 -","- C26 H38 N4 Ni O16 -","- C52 H76 N8 Ni2 O32 -","2","0.5","CV5237","Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>trans</i>-Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)nickel(II) bis(3-hydroxybenzoate) tetrahydrate","Acta Crystallographica Section E","2012","68","2","m200","m201","10.1107/S1600536812002218","","","0.71073","MoKα","","0.0559","0.051","","","0.1546","0.1566","","","","","","1.261","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233425","13.209","0.003","13.789","0.003","5.8714","0.0012","90","","98.27","0.03","90","","1058.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-(4-Bromobenzylidene)amino cyclopropanecarboxylate","","- C11 H10 Br N O2 -","- C11 H10 Br N O2 -","- C44 H40 Br4 N4 O8 -","4","1","DS2156","Liu, Xing-Hai; Tan, Cheng-Xia; Weng, Jian-Quan; Liu, Hui-Jun","(<i>E</i>)-(4-Bromobenzylidene)amino cyclopropanecarboxylate","Acta Crystallographica Section E","2012","68","2","o493","","10.1107/S1600536812002048","","","0.71073","MoKα","","0.0491","0.0384","","","0.0796","0.0821","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233426","9.5027","0.0012","7.0759","0.0009","16.931","0.002","90","","94.375","0.003","90","","1135.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Fluoro-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazin-12-one","","- C14 H7 F N2 O S -","- C14 H7 F N2 O S -","- C56 H28 F4 N8 O4 S4 -","4","1","DS2160","Wang, Zhiming; Yu, Bin; Zhang, Xiuqin; Cui, Yuan; Sun, Xiaoqiang","3-Fluoro-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazin-12-one","Acta Crystallographica Section E","2012","68","2","o390","","10.1107/S1600536811054948","","","0.71073","MoKα","","0.0445","0.0359","","","0.1018","0.1062","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233427","7.4198","0.0001","7.9792","0.0001","14.5014","0.0002","105.965","0.001","95.732","0.001","103.965","0.001","788.211","0.019","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","","- C18 H17 Cl O2 S -","- C18 H17 Cl O2 S -","- C36 H34 Cl2 O4 S2 -","2","1","DS2170","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o534","","10.1107/S1600536812002887","","","0.71073","MoKα","","0.0372","0.0348","","","0.0961","0.0986","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233428","7.5277","0.0012","10.5517","0.0017","16.467","0.003","106.75","0.007","97.504","0.008","100.273","0.008","1209.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 3,5-dicarboxybenzenesulfonate methanol monosolvate","","- C25 H28 N2 O8 S -","- C25 H28 N2 O8 S -","- C50 H56 N4 O16 S2 -","2","1","EZ2270","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Yang, Huai","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 3,5-dicarboxybenzenesulfonate methanol monosolvate","Acta Crystallographica Section E","2012","68","2","o281","","10.1107/S1600536811054419","","","0.71073","MoKα","","0.052","0.048","","","0.1136","0.1163","","","","","","1.13","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233429","20.006","0.006","13.61","0.004","14.252","0.004","90","","111.344","0.005","90","","3614.4","1.8","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Diethyl 2,2-bis(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)malonate","","- C37 H56 O6 -","- C37 H56 O6 -","- C148 H224 O24 -","4","0.5","FB2240","Zeng, Tao; Hou, Yu-Ping; Ren, Wan-Zhong; Xu, Wen-You","Diethyl 2,2-bis(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)malonate","Acta Crystallographica Section E","2012","68","2","o448","","10.1107/S1600536811054900","","","0.71073","MoKα","","0.0951","0.0527","","","0.1355","0.1508","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233430","9.1261","0.0002","9.5308","0.0002","10.5577","0.0002","72.228","0.001","79.702","0.001","85.724","0.001","860.19","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(5-Cyclohexyl-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","","- C19 H24 O3 S -","- C19 H24 O3 S -","- C38 H48 O6 S2 -","2","1","FF2049","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(5-Cyclohexyl-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","2","o397","","10.1107/S1600536811055152","","","0.71073","MoKα","","0.043","0.0363","","","0.0932","0.0975","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233431","10.2342","0.0006","10.5673","0.0006","27.3485","0.0017","90","","90","","90","","2957.7","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4- azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C128 H128 N16 O48 -","8","1","FF2050","Wang, Peng-Peng; Lin, Qiu-Yue; Zhang, Fan","4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","Acta Crystallographica Section E","2012","68","2","o381","","10.1107/S1600536812000542","","","0.71073","MoKα","","","0.0825","","","0.1879","0.224","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233432","12.1252","0.0007","12.1252","0.0007","14.6108","0.0017","90","","90","","90","","2148.1","0.3","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[(1<i>S</i>,1'<i>S</i>)-1,1'-(4-amino-4<i>H</i>-1,2,4-triazole-3,5- diyl)diethanol-κ<i>N</i>^1^]bis(nitrato-κ<i>O</i>)zinc","","- C12 H24 N10 O10 Zn -","- C12 H24 N10 O10 Zn -","- C48 H96 N40 O40 Zn4 -","4","0.5","FF2051","Liu, Xun-Gao; Shen, Liang; Cai, Qi-Suo; Luo, Ma","Bis[(1<i>S</i>,1'<i>S</i>)-1,1'-(4-amino-4<i>H</i>-1,2,4-triazole-3,5-diyl)diethanol-κ<i>N</i>^1^]bis(nitrato-κ<i>O</i>)zinc","Acta Crystallographica Section E","2012","68","2","m191","m192","10.1107/S1600536812001754","","","0.71073","MoKα","","0.0419","0.0325","","","0.0834","0.0884","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233433","20.87","0.004","15.008","0.003","15.472","0.003","90","","109.51","0.03","90","","4567.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole- κ<i>N</i>^3^}bis(3,5-dicarboxybenzoato-κ<i>O</i>^1^)zinc octahydrate","","- C40 H46 N8 O20 Zn -","- C40 H46 N8 O20 Zn -","- C160 H184 N32 O80 Zn4 -","4","0.5","FF2052","Zhao, Lei; Liu, Bingtao; Li, Ting; Meng, Xiangru","Bis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}bis(3,5-dicarboxybenzoato-κ<i>O</i>^1^)zinc octahydrate","Acta Crystallographica Section E","2012","68","2","m162","","10.1107/S160053681200147X","","","0.71073","MoKα","","0.0572","0.0543","","","0.1544","0.1578","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233434","4.4495","0.0007","17.699","0.003","4.3978","0.0007","90","","90","","90","","346.33","0.1","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","terbium (lithium zinc) distannide","","- Li0.8 Sn2 Tb Zn0.2 -","- Li0.8 Sn2 Tb Zn0.198 -","- Li3.2 Sn8 Tb4 Zn0.792 -","4","0.25","FI2120","Stetskiv, Andrij; Tarasiuk, Ivan; Rozdzynska-Kielbik, Beata; Oshchapovsky, Igor; Pavlyuk, Volodymyr","Terbium (lithium zinc) distannide, TbLi~1{‒~<i>x</i>}Zn~<i>x~</i>Sn~2~ (<i>x</i> = 0.2)","Acta Crystallographica Section E","2012","68","2","i16","","10.1107/S1600536812002103","","","0.71073","MoKα","","0.046","0.027","","","0.0544","0.0664","","","","","","1.189","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233435","18.0947","0.0013","8.8967","0.0006","12.1638","0.0009","90","","101.421","0.002","90","","1919.4","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{2,6-Bis[(2,4,5-trifluorophenyl)iminomethyl]pyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridonickel(II)","","- C19 H9 Cl2 F6 N3 Ni -","- C19 H9 Cl2 F6 N3 Ni -","- C76 H36 Cl8 F24 N12 Ni4 -","4","0.5","FJ2491","Baldovino-Pantaleón, Oscar; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","A second monoclinic polymorph of {2,6-bis[(2,4,5-trifluorophenyl)iminomethyl]pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridonickel(II)","Acta Crystallographica Section E","2012","68","2","m134","","10.1107/S1600536811055577","","","0.71073","MoKα","","0.0292","0.0245","","","0.057","0.0579","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233436","7.1772","0.0002","23.2178","0.0005","16.774","0.0004","90","","99.526","0.001","90","","2756.66","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[4-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3- <i>c</i>][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate","","- C32 H34 N3 O4 S -","- C32 H34 N3 O4 S -","- C128 H136 N12 O16 S4 -","4","1","FJ2493","Bukhari, Mujahid Hussain; Ahmad, Matloob; Siddiqui, Hamid Latif; Gul, Salman; Parvez, Masood","3-[4-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate","Acta Crystallographica Section E","2012","68","2","o460","o461","10.1107/S1600536812000712","","","1.54178","CuKα","","0.067","0.057","","","0.15","0.158","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233437","10.2485","0.0003","11.2843","0.0003","11.9237","0.0004","65.213","0.002","75.17","0.002","76.052","0.002","1196.07","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2-Butyl-4-(4-<i>tert</i>-butylbenzyl)-1,2,4-triazol-3- ylidene]chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","","- C25 H37 Cl Ir N3 -","- C25 H37 Cl Ir N3 -","- C50 H74 Cl2 Ir2 N6 -","2","1","FJ2494","Nichol, Gary S.; Walton, David P.; Anna, Laura J.; Rajaseelan, Edward","[2-Butyl-4-(4-<i>tert</i>-butylbenzyl)-1,2,4-triazol-3-ylidene]chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","Acta Crystallographica Section E","2012","68","2","m158","m159","10.1107/S1600536812000992","","","0.71073","MoKα","","0.0317","0.0245","","","0.0563","0.0592","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233438","6.5169","0.0011","11.245","0.002","9.7575","0.0017","90","","105.284","0.003","90","","689.8","0.2","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cerium(III) dihydroxidohexaoxidotetraborate chloride","","- B4 Ce Cl H2 O8 -","- B4 Ce Cl H2 O8 -","- B16 Ce4 Cl4 H8 O32 -","4","1","FJ2495","Sun, Wei; Zhao, Biao-Chun; Huang, Ya-Xi; Mi, Jin-Xiao","Cerium(III) dihydroxidohexaoxidotetraborate chloride","Acta Crystallographica Section E","2012","68","2","i17","","10.1107/S1600536812002875","","","0.71073","MoKα","","0.0204","0.0203","","","0.0507","0.0508","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233439","6.8549","0.001","11.711","0.002","17.356","0.003","90","","91.607","0.013","90","","1392.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Cyano-11-oxo-3,4-seco-12a-aza-<i>C</i>-homoolean-4(23)-en-28-oic acid methyl ester","","- C31 H48 N2 O3 -","- C31 H48 N2 O3 -","- C62 H96 N4 O6 -","2","1","FJ2500","Froelich, A.; Bednarczyk-Cwynar, B.; Gzella, A. K.","3-Cyano-11-oxo-3,4-seco-12a-aza-<i>C</i>-homoolean-4(23)-en-28-oic acid methyl ester","Acta Crystallographica Section E","2012","68","2","o532","","10.1107/S1600536812002863","","","1.54178","CuKα","","0.0414","0.0387","","","0.1097","0.1124","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233440","9.4432","0.0008","8.6457","0.0007","5.254","0.0005","90","","108.003","0.006","90","","407.95","0.06","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(sodium magnesium) [magnesium iron(III) silicon] disilicate","","- Fe0.17 Mg0.46 Na0.97 O6 Si2.4 -","- Fe0.17 Mg0.46 Na0.97 O6 Si2.4 -","- Fe0.68 Mg1.84 Na3.88 O24 Si9.6 -","4","1","FJ2504","Posner, Esther S.; Konzett, Jürgen; Frost, Daniel J.; Downs, Robert T.; Yang, Hexiong","High-pressure synthetic (Na~0.97~Mg~0.03~)(Mg~0.43~Fe~0.17~^3+^Si~0.40~)Si~2~O~6~, with six-coordinated silicon, isostructural with <i>P</i>2/<i>n</i> omphacite","Acta Crystallographica Section E","2012","68","2","i18","","10.1107/S1600536812002966","","","0.71073","MoKα","","0.0661","0.0356","","","0.0735","0.0851","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233441","7.6234","0.0012","12.3803","0.0019","15.877","0.002","90","","90","","90","","1498.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lysergol monohydrate","(7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3,2-<i>fg</i>]quinoline-9-yl)methanol monohydrate","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","FJ2506","Merkel, Stefan; Köppen, Robert; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Lysergol monohydrate","Acta Crystallographica Section E","2012","68","2","o523","","10.1107/S1600536812002632","","","0.71073","MoKα","","0.1041","0.0361","","","0.0445","0.0515","","","","","","0.791","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233442","10.475","0.002","7.4792","0.0015","11.533","0.002","90","","92.339","0.004","90","","902.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[<i>N</i>- (thiophen-2-ylmethylidene)methanamine]","","- C17 H20 N2 O2 S2 -","- C17 H20 N2 O2 S2 -","- C34 H40 N4 O4 S4 -","2","1","FK2048","Jiang, Yan; Bian, Jing; Sun, Xiaoqiang","[(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[<i>N</i>-(thiophen-2-ylmethylidene)methanamine]","Acta Crystallographica Section E","2012","68","2","o430","","10.1107/S1600536812001298","","","0.71073","MoKα","","0.055","0.0381","","","0.0839","0.0924","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233443","9.1208","0.0015","11.3999","0.0019","13.661","0.002","72.869","0.003","77.504","0.003","87.276","0.003","1325","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-[(4'-Chloromethyl-[1,1'-biphenyl]-4-yl)methyl]bis(dimethylglyoximato- κ^2^<i>N</i>,<i>N</i>')(pyridine-κ<i>N</i>)cobalt(III)","","- C27 H31 Cl Co N5 O4 -","- C27 H31 Cl Co N5 O4 -","- C54 H62 Cl2 Co2 N10 O8 -","2","1","FK2049","Kumar, Sarvendra; Thapa, Suresh","4-[(4'-Chloromethyl-[1,1'-biphenyl]-4-yl)methyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(pyridine-κ<i>N</i>)cobalt(III)","Acta Crystallographica Section E","2012","68","2","m160","m161","10.1107/S1600536812001092","","","0.71073","MoKα","","0.057","0.047","","","0.1153","0.1246","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233444","3.7026","0.0003","17.4638","0.0016","11.6953","0.001","90","","92.21","0.007","90","","755.67","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Nitroantranilic acid","2-Amino-5-nitrobenzoic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","FK2050","Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa","2-Amino-5-nitrobenzoic acid","Acta Crystallographica Section E","2012","68","2","o511","","10.1107/S1600536812002474","","","0.71073","MoKα","","0.1268","0.0636","","","0.1085","0.1273","","","","","","0.992","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2233445","8.959","0.002","9.123","0.002","10.124","0.0019","65.843","0.007","68.362","0.008","88.754","0.01","693.6","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-methyl-6-methylsulfanyl-4-phenylbenzene-1,3-dicarbonitrile","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C32 H26 N6 S2 -","2","1","FY2026","Liu, Xuan; Tang, Jianhong; Huang, Yunqiao; Zhang, Huawei; Li, Jiarong","2-Amino-5-methyl-6-methylsulfanyl-4-phenylbenzene-1,3-dicarbonitrile","Acta Crystallographica Section E","2012","68","2","o449","","10.1107/S1600536811055243","","","0.71073","MoKα","","0.0482","0.0374","","","0.0895","0.0922","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233446","7.581","0.0002","12.1216","0.0003","23.0379","0.0007","90","","97.254","0.003","90","","2100.1","0.1","294","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(carbamoylamino)imino]-2-(3-{1-[(carbamoylamino)imino]- 2-methoxy-2-oxoethyl}phenyl)acetate ethanol monosolvate monohydrate","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C64 H96 N24 O32 -","4","1","FY2032","Ismatov, Dilmurot; Azizov, Umarkhon; Ashurov, Jamshid; Talipov, Samat","Methyl 2-[(carbamoylamino)imino]-2-(3-{1-[(carbamoylamino)imino]-2-methoxy-2-oxoethyl}phenyl)acetate ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","2","o464","","10.1107/S1600536812001237","","","1.54184","CuKα","","0.064","0.0425","","","0.116","0.1253","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233447","10.3619","0.0006","10.7721","0.001","11.6433","0.0008","70.523","0.007","72.495","0.005","70.197","0.007","1126.65","0.16","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2,4-difluorobenzoyl)- <i>N</i>,<i>N</i>'-dimethylphosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","1","FY2035","Pourayoubi, Mehrdad; Shoghpour, Samad; Torre-Fernández, Laura; García-Granda, Santiago","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2,4-difluorobenzoyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide","Acta Crystallographica Section E","2012","68","2","o270","o271","10.1107/S1600536811055115","","","1.54184","CuKα","","0.0834","0.0505","","","0.1206","0.1405","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233448","24.617","0.005","6.0285","0.0012","17.806","0.004","90","","93.08","0.03","90","","2638.7","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Benzoic acid‒3,4-bis[(pyridin-3-ylmethyl)amino]cyclobut-3-ene-1,2-dione (1/2)","","- C30 H26 N4 O6 -","- C30 H26 N4 O6 -","- C120 H104 N16 O24 -","4","0.5","FY2039","Lemmerer, Andreas; Bourne, Susan A.","Benzoic acid‒3,4-bis[(pyridin-3-ylmethyl)amino]cyclobut-3-ene-1,2-dione (1/2)","Acta Crystallographica Section E","2012","68","2","o384","","10.1107/S1600536812000220","","","0.71073","MoKα","","","0.0436","","","","0.116","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233449","13.3926","0.0014","8.4991","0.0008","12.3361","0.0012","90","","106.538","0.01","90","","1346.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidine-1-carboxylate","","- C12 H14 Cl N3 O3 -","- C12 H14 Cl N3 O3 -","- C48 H56 Cl4 N12 O12 -","4","1","GG2073","Kapoor, Kamini; Gupta, Vivek K.; Deshmukh, Madhukar B.; Shripanavar, Chetan S.; Kant, Rajni","Ethyl 3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidine-1-carboxylate","Acta Crystallographica Section E","2012","68","2","o469","","10.1107/S1600536812001948","","","0.71073","MoKα","","0.1143","0.0651","","","0.1565","0.1911","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233450","9.3371","0.0002","11.3093","0.0003","13.1984","0.0003","102.364","0.001","93.094","0.001","94.01","0.001","1354.64","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine]","","- C32 H18 F4 N4 S2 -","- C32 H18 F4 N4 S2 -","- C64 H36 F8 N8 S4 -","2","1","GK2426","Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, Serenthimata; Narayana, Badiadka; Sarojini, Balladka K.","2,2'-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine]","Acta Crystallographica Section E","2012","68","2","o476","o477","10.1107/S1600536812001912","","","0.71073","MoKα","","0.0497","0.0431","","","0.0995","0.1063","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233451","9.7621","0.0006","10.6324","0.0005","10.7923","0.0005","103.412","0.004","115.389","0.005","92.133","0.004","972.41","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Trimethyl(triphenylmethoxy)silane","","- C22 H24 O Si -","- C22 H24 O Si -","- C44 H48 O2 Si2 -","2","1","GK2444","Anthal, Sumati; Banerjee, Bubun; Brahmacharia, Goutam; Kant, Rajni; Gupta, Vivek K.","Trimethyl(triphenylmethoxy)silane","Acta Crystallographica Section E","2012","68","2","o556","","10.1107/S1600536812003170","","","0.71073","MoKα","","0.0772","0.0488","","","0.1168","0.1333","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233452","11.024","0.002","12.119","0.002","13.875","0.003","90","","104.55","0.03","90","","1794.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C84 H80 Br4 N4 O8 -","4","1","GK2449","Zhao, Qun","1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","2","o529","","10.1107/S1600536812002620","","","0.71073","MoKα","","0.0694","0.0447","","","0.092","0.1017","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233453","10.1911","0.0002","22.548","0.0004","8.9736","0.0002","90","","112.449","0.001","90","","1905.77","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(phenylcarbamothioyl)acetamide","3-Acetyl-1-phenylthiourea","","- C9 H10 N2 O S -","- C9 H10 N2 O S -","- C72 H80 N16 O8 S8 -","8","2","GK2451","Shahwar, Durre; Tahir, M. Nawaz; Chohan, Muhammad Mansha; Ahmad, Naeem; Samiullah","3-Acetyl-1-phenylthiourea","Acta Crystallographica Section E","2012","68","2","o508","","10.1107/S1600536812002371","","","0.71073","MoKα","","0.0596","0.0451","","","0.1195","0.1293","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233454","7.937","0.0003","26.4456","0.0009","7.0635","0.0002","90","","113.404","0.001","90","","1360.64","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-2-oxoethyl 2-methoxybenzoate","","- C16 H13 F O4 -","- C16 H13 F O4 -","- C64 H52 F4 O16 -","4","1","GK2452","Isloor, Arun M.; Garudachari, B.; Satyanarayan, M. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-(4-Fluorophenyl)-2-oxoethyl 2-methoxybenzoate","Acta Crystallographica Section E","2012","68","2","o513","","10.1107/S1600536812002577","","","0.71073","MoKα","","0.0432","0.0373","","","0.0933","0.0978","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233455","8.695","0.003","6.375","0.002","28.955","0.009","90","","98.19","0.04","90","","1588.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxyl-1-naphthaldehyde isonicotinoyl hydrazone nitrate","(<i>E</i>)-4-{2-[(2-Hydroxynaphthalen-1- yl)methylidene]hydrazinecarbonyl}pyridinium nitrate","","- C17 H14 N4 O5 -","- C17 H14 N4 O5 -","- C68 H56 N16 O20 -","4","1","GO2040","Bikas, Rahman; Hosseini Monfared, Hassan; Lis, Tadeusz; Siczek, Milosz","(<i>E</i>)-4-{2-[(2-Hydroxynaphthalen-1-yl)methylidene]hydrazinecarbonyl}pyridinium nitrate","Acta Crystallographica Section E","2012","68","2","o367","o368","10.1107/S160053681200061X","","","0.71073","MoKα","","0.0674","0.0403","","","0.0952","0.1015","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233456","24.259","0.006","13.359","0.003","23.628","0.005","90","","90.418","0.007","90","","7657","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1'-Methyl-4'-phenyl-2''-sulfanylidenedispiro[indoline-3,2'- pyrrolidine-3',5''-1,3-thiazolidine]-2,4''-dione","","- C20 H17 N3 O2 S2 -","- C20 H17 N3 O2 S2 -","- C320 H272 N48 O32 S32 -","16","2","GO2041","Natarajan, Sampath; Mathews, Rita","1'-Methyl-4'-phenyl-2''-sulfanylidenedispiro[indoline-3,2'-pyrrolidine-3',5''-1,3-thiazolidine]-2,4''-dione","Acta Crystallographica Section E","2012","68","2","o343","","10.1107/S1600536811056236","","","0.71073","MoKα","","0.1119","0.0708","","","0.1383","0.1545","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233457","9.391","0.0019","9.4943","0.0019","9.976","0.002","109.32","0.03","96.86","0.03","119.59","0.03","685.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium naphthalene-1,5-disulfonate","","- C26 H18 F6 N4 O6 S2 -","- C26 H18 F6 N4 O6 S2 -","- C26 H18 F6 N4 O6 S2 -","1","0.5","GO2042","Liu, Ming-Liang","Bis(2-trifluoromethyl-1<i>H</i>-benzimidazol-3-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","2","o342","","10.1107/S1600536812000049","","","0.71073","MoKα","","0.0758","0.0534","","","0.1207","0.1315","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233458","8.5396","0.0005","9.9243","0.0007","21.9501","0.0013","90","","102.546","0.0014","90","","1815.8","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-[(<i>E</i>)-2-(2-Methoxyphenyl)ethenyl]-3,4,5,6,7,9-hexahydro-2<i>H</i>- xanthene-1,8-dione","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","GO2043","Cha, Joo Hwan; Pae, Ae Nim; Lee, Jae Kyun; Cho, Yong Seo","9-[(<i>E</i>)-2-(2-Methoxyphenyl)ethenyl]-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2012","68","2","o454","","10.1107/S1600536812001419","","","0.71075","MoKα","","","0.0439","","","","0.1361","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233459","8.7943","0.0002","17.44","0.0002","8.661","0.0003","90","","90","","90","","1328.36","0.06","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","tripotassium dialuminotriarsenate(V)","","- Al2 As3 K3 O12 -","- Al2 As3 K3 O12 -","- Al8 As12 K12 O48 -","4","1","GW2112","Stöger, Berthold; Weil, Matthias","K~3~Al~2~As~3~O~12~","Acta Crystallographica Section E","2012","68","2","i15","","10.1107/S1600536812000438","","","0.71073","MoKα","","0.0229","0.0179","","","0.0376","0.0391","","","","","","0.8","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233460","7.497","0.004","9.136","0.005","9.443","0.007","78.289","0.019","77.858","0.019","67.72","0.02","579.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquadiformatocobalt(II)]-μ-1,4- bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate]","","- C22 H24 Co N4 O8 -","- C22 H24 Co N4 O8 -","- C22 H24 Co N4 O8 -","1","0.5","HB6531","Huang, Ping-Yun; Wang, Jin-Guo; Guo, Sheng-Wu; Shi, Gang","<i>catena</i>-Poly[[[diaquadiformatocobalt(II)]-μ-1,4-bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate]","Acta Crystallographica Section E","2012","68","2","m94","","10.1107/S160053681105505X","","","0.71073","MoKα","","0.0391","0.0375","","","0.1044","0.1057","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233461","14.4352","0.0001","9.125","0.0001","15.4402","0.0002","90","","109.7","0.001","90","","1914.76","0.04","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(3-Methylbenzenesulfonamido)phenyl 3-methylbenzenesulfonate","","- C20 H19 N O5 S2 -","- C20 H19 N O5 S2 -","- C80 H76 N4 O20 S8 -","4","0.5","HB6544","Al-Najjar, Belal O.; Tengku Muhammad, Tengku Sifzizul; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","4-(3-Methylbenzenesulfonamido)phenyl 3-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","2","o258","","10.1107/S1600536811054808","","","0.71073","MoKα","","0.0336","0.031","","","0.0885","0.0904","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233462","7.161","0.0014","11.497","0.002","10.734","0.002","90","","105.45","0.03","90","","851.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Bis[(2-methoxyethoxy)methyl]-1,5-naphthyridine- 4,8(1<i>H</i>,5<i>H</i>)-dione","","- C16 H22 N2 O6 -","- C16 H22 N2 O6 -","- C32 H44 N4 O12 -","2","0.5","HB6550","Wang, Kunyan; Chen, Chen; Jiang, Peng; Shi, Lu; Zhu, Hong-Jun","1,5-Bis[(2-methoxyethoxy)methyl]-1,5-naphthyridine-4,8(1<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","2","o280","","10.1107/S1600536811054547","","","0.71073","MoKα","","0.0592","0.0451","","","0.1285","0.1402","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233463","19.9785","0.0005","20.4849","0.0004","11.4683","0.0008","90","","95.375","0.0014","90","","4672.9","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua[tris(2-{5-[(4-methylphenyl)diazenyl]-2- oxidobenzylideneamino}ethyl)amine]samarium(III) acetonitrile monosolvate","","- C50 H50 N11 O4 Sm -","- C50 H50 N11 O4 Sm -","- C200 H200 N44 O16 Sm4 -","4","1","HB6567","Salehzadeh, Sadegh; Mahdavian, Mahsa; Khalaj, Mehdi","Aqua[tris(2-{5-[(4-methylphenyl)diazenyl]-2-oxidobenzylideneamino}ethyl)amine]samarium(III) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","2","m96","","10.1107/S1600536811054961","","","0.71073","MoKα","","0.1474","0.0561","","","0.097","0.1284","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233464","4.78478","0.00011","15.7859","0.0005","19.4401","0.0005","90","","90","","90","","1468.35","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-<i>O</i>-α-L-fucopyranosyl α-D-galactopyranoside","","- C13 H24 O10 -","- C13 H24 O10 -","- C52 H96 O40 -","4","1","HB6569","Eriksson, Lars; Widmalm, Göran","Methyl 3-<i>O</i>-α-<small>L</small>-fucopyranosyl α-<small>D</small>-galactopyranoside: a synchrotron study","Acta Crystallographica Section E","2012","68","2","o528","","10.1107/S1600536812002279","","","0.907","synchrotron","","0.0716","0.0598","","","0.1523","0.1766","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233465","3.7989","0.0013","24.334","0.009","15.208","0.006","90","","93.035","0.005","90","","1403.9","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(3-Nitrobenzylidene)amino]-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazole- 5(4<i>H</i>)-thione","","- C14 H10 N6 O2 S -","- C14 H10 N6 O2 S -","- C56 H40 N24 O8 S4 -","4","1","HB6570","Li, Tian-Bao; Yang, Ming-Sheng; Yin, Bang-Shao","4-[(3-Nitrobenzylidene)amino]-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","2","o279","","10.1107/S1600536811054444","","","0.71073","MoKα","","0.0604","0.0486","","","0.0978","0.103","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233466","8.794","0.002","12.532","0.003","14.292","0.005","112.911","0.007","96.033","0.007","107.296","0.005","1340.8","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[(<i>E</i>)-4-Diethylamino-2-hydroxybenzylidene]hydrazinecarboxamide","","- C12 H18 N4 O2 -","- C12 H18 N4 O2 -","- C48 H72 N16 O8 -","4","2","HB6571","Fun, Hoong-Kun; Ooi, Chin Wei; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra N.","2-[(<i>E</i>)-4-Diethylamino-2-hydroxybenzylidene]hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","2","o380","","10.1107/S1600536812000311","","","0.71073","MoKα","","0.1448","0.068","","","0.1676","0.2198","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233467","4.8607","0.0002","12.5873","0.0004","21.1627","0.0009","90","","90","","90","","1294.8","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-iodobenzylidene]furan-2-carbohydrazide monohydrate","","- C12 H11 I N2 O4 -","- C12 H11 I N2 O4 -","- C48 H44 I4 N8 O16 -","4","1","HB6573","Bikas, Rahman; Anarjan, Parisa Mahboubi; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-iodobenzylidene]furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","2","o413","o414","10.1107/S1600536811055826","","","1.54184","CuKα","","0.0595","0.0586","","","0.1562","0.1583","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233468","15.795","0.005","13.083","0.004","11.012","0.004","90","","115.194","0.005","90","","2059.1","1.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2,3-Diaminopyridinium) phthalate dihydrate","Bis(2,3-diaminopyridinium) benzene-1,2-dicarboxylate dihydrate","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C72 H96 N24 O24 -","4","0.5","HB6574","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","Bis(2,3-diaminopyridinium) phthalate dihydrate","Acta Crystallographica Section E","2012","68","2","o402","","10.1107/S1600536811055838","","","0.71073","MoKα","","0.0657","0.0426","","","0.1111","0.125","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233469","10.7455","0.0003","12.2235","0.0003","16.1967","0.0004","86.162","0.001","80.917","0.001","88.275","0.001","2095.6","0.09","100","1","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>- benzimidazole-5-carboxylate","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C96 H108 N12 O16 -","4","2","HB6575","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","2","o308","o309","10.1107/S1600536811055966","","","0.71073","MoKα","","0.0523","0.0443","","","0.1252","0.1329","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233470","7.2601","0.0015","9.1716","0.0018","16.283","0.003","90","","90","","90","","1084.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Morpholin-4-ium hydrogen tartrate","","- C8 H15 N O7 -","- C8 H15 N O7 -","- C32 H60 N4 O28 -","4","1","HB6576","Liu, Ming-Liang","Morpholin-4-ium hydrogen tartrate","Acta Crystallographica Section E","2012","68","2","o289","","10.1107/S1600536811055759","","","0.71073","MoKα","","0.0484","0.0438","","","0.0951","0.0968","","","","","","1.17","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233471","7.3041","0.0012","9.3952","0.0016","9.685","0.0016","83.813","0.002","88.172","0.002","89.033","0.002","660.35","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7-Chloro-6,8-dinitroquinazolin-4(3<i>H</i>)-one acetic acid monosolvate","","- C10 H7 Cl N4 O7 -","- C10 H7 Cl N4 O7 -","- C20 H14 Cl2 N8 O14 -","2","1","HB6577","Yu, Yongqiang","7-Chloro-6,8-dinitroquinazolin-4(3<i>H</i>)-one acetic acid monosolvate","Acta Crystallographica Section E","2012","68","2","o304","","10.1107/S1600536811055735","","","0.71073","MoKα","","0.0587","0.0446","","","0.114","0.1234","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233472","6.0019","0.0016","8.838","0.003","21.555","0.003","90","","90","","90","","1143.4","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(5-Chloro-2-oxidobenzylidene)azaniumyl]-2-methylpropane-1,3-diol","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","1","HB6578","Wang, Dong-Yue; Liu, Min; Ma, Jing-Jun","2-[(5-Chloro-2-oxidobenzylidene)azaniumyl]-2-methylpropane-1,3-diol","Acta Crystallographica Section E","2012","68","2","o295","","10.1107/S1600536811055784","","","0.71073","MoKα","","0.0505","0.0389","","","0.0716","0.0759","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233473","15.979","0.003","12.941","0.003","15.04","0.003","90","","121.72","0.03","90","","2645.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-Fluoro-2-[(4-hydroxyphenethyl)iminomethyl]phenol","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C120 H112 F8 N8 O16 -","8","1","HB6581","Fang, Rui-Qin; Song, Tao; Li, Yu-Xiang","(<i>E</i>)-4-Fluoro-2-[(4-hydroxyphenethyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","2","o332","","10.1107/S1600536811055875","","","0.71073","MoKα","","0.1197","0.0637","","","0.1465","0.1793","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233474","8.7734","0.0002","11.1271","0.0002","17.9423","0.0003","90","","90","","90","","1751.57","0.06","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,4<i>Z</i>)-3-Chloro-1-methyl-4-[(2<i>E</i>)-(3- methylbenzylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2,1-benzothiazine 2,2-dioxide","","- C17 H16 Cl N3 O2 S -","- C17 H16 Cl N3 O2 S -","- C68 H64 Cl4 N12 O8 S4 -","4","1","HB6582","Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Zia-Ur-Rehman, Muhammad","(3<i>S</i>,4<i>Z</i>)-3-Chloro-1-methyl-4-[(2<i>E</i>)-(3-methylbenzylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2,1-benzothiazine 2,2-dioxide","Acta Crystallographica Section E","2012","68","2","o338","","10.1107/S1600536811056315","","","0.71073","MoKα","","0.0511","0.0364","","","0.0818","0.0884","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233475","6.0765","0.0009","8.0268","0.0007","10.9873","0.0016","72.501","0.01","87.597","0.01","67.88","0.02","471.94","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-3-(4-chlorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C8 H7 Cl N4 S -","- C8 H7 Cl N4 S -","- C16 H14 Cl2 N8 S2 -","2","1","HB6583","Natarajan, Sampath; Mathews, Rita","4-Amino-3-(4-chlorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","2","o443","","10.1107/S1600536812000785","","","1.54184","CuKα","","0.0832","0.0798","","","0.2298","0.2355","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233476","5.7311","0.0011","13.136","0.003","6.7373","0.0013","90","","102.52","0.03","90","","495.15","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(2-Hydroxyethyl)azaniumyl]ethanaminium oxalate monohydrate","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C12 H32 N4 O12 -","2","1","HB6584","Jin, Yu","2-[(2-Hydroxyethyl)azaniumyl]ethanaminium oxalate monohydrate","Acta Crystallographica Section E","2012","68","2","o337","","10.1107/S1600536811056157","","","0.71073","MoKα","","0.0507","0.038","","","0.0816","0.0861","","","","","","0.965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233477","16.1869","0.0005","10.8467","0.0003","15.9353","0.0004","90","","90","","90","","2797.83","0.14","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(<i>N</i>-Cyclohexylcarbamoyl)benzenesulfonamide","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C104 H144 N16 O24 S8 -","8","2","HB6585","Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Siddiqui, Hamid Latif; Akram, Muhammad; Parvez, Masood","2-(<i>N</i>-Cyclohexylcarbamoyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o370","","10.1107/S1600536812000633","","","0.71073","MoKα","","0.062","0.0533","","","0.1031","0.1103","","","","","","1.14","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233478","8.8677","0.0001","14.7225","0.0002","12.3564","0.0002","90","","119.355","0.001","90","","1406.05","0.04","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(2,4,4,6,6-Pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin- 2-yl)azanidyl]pyridinium","","- C5 H5 Cl5 N5 P3 -","- C5 H5 Cl5 N5 P3 -","- C20 H20 Cl20 N20 P12 -","4","1","HB6587","Ahmed, Safaa A.; Haque, Rosenani A.; Zetty, Zulikha H.; Fun, Hoong-Kun; Loh, Wan-Sin","2-[(2,4,4,6,6-Pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin-2-yl)azanidyl]pyridinium","Acta Crystallographica Section E","2012","68","2","o306","","10.1107/S160053681200013X","","","0.71073","MoKα","","0.0256","0.0234","","","0.0587","0.0605","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233479","21.814","0.004","9.0079","0.0015","13.188","0.002","90","","90","","90","","2591.4","0.8","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate","","- C12 H12 F2 N2 O3 -","- C12 H12 F2 N2 O3 -","- C96 H96 F16 N16 O24 -","8","2","HB6590","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna","Ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate","Acta Crystallographica Section E","2012","68","2","o422","","10.1107/S1600536812000803","","","0.71073","MoKα","","0.1416","0.0648","","","0.166","0.2191","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233480","7.2959","0.0001","16.3853","0.0002","13.0028","0.0002","90","","90","","90","","1554.43","0.04","100","1","100","1","","","","","","","","3","P n a 21","P 2c -2n","33","","10-(4-Methylbenzylidene)anthracen-9(10<i>H</i>)-one","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","HB6592","Almansour, Abdulrahman I.; Arumugam, Natarajan; Karama, Usama; Razak, Ibrahim Abdul; Arshad, Suhana","10-(4-Methylbenzylidene)anthracen-9(10<i>H</i>)-one","Acta Crystallographica Section E","2012","68","2","o478","o479","10.1107/S1600536812000827","","","0.71073","MoKα","","0.046","0.0431","","","0.1195","0.122","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233481","9.6668","0.0011","9.6857","0.0007","10.1178","0.001","80.289","0.007","65.189","0.01","72.957","0.008","820.98","0.16","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Triphenyl(prop-2-yn-1-yl)silane","","- C21 H18 Si -","- C21 H18 Si -","- C42 H36 Si2 -","2","1","HB6593","Nelson, Björn; Schulte, Michaela; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","Triphenyl(prop-2-yn-1-yl)silane","Acta Crystallographica Section E","2012","68","2","o452","","10.1107/S1600536812001109","","","0.71073","MoKα","","0.087","0.0482","","","0.0811","0.0856","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233482","8.8278","0.0003","10.9177","0.0004","15.2698","0.0006","100.649","0.003","104.948","0.003","94.177","0.003","1386.1","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(4-fluorophenyl)ethylidene]hydrazine","","- C14 H11 F N4 O4 -","- C14 H11 F N4 O4 -","- C56 H44 F4 N16 O16 -","4","2","HB6595","Fun, Hoong-Kun; Nilwanna, Boonlerd; Chantrapromma, Suchada; Razak, Ibrahim Abdul","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(4-fluorophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","2","o398","o399","10.1107/S1600536812000815","","","0.71073","MoKα","","0.1068","0.0662","","","0.1294","0.1437","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233483","9.635","0.005","10.222","0.006","11.974","0.007","98.491","0.013","95.296","0.015","93.573","0.006","1157.9","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","Diphenylmethyl isothiocyanate","","- C14 H11 N S -","- C14 H11 N S -","- C56 H44 N4 S4 -","4","2","HB6596","Zhao, Pei-Hua; Liu, Jun-Jie; Zhang, Mei; Zhao, Gui-Zhe; Liu, Ya-Qing","Diphenylmethyl isothiocyanate","Acta Crystallographica Section E","2012","68","2","o388","","10.1107/S1600536812000888","","","0.71073","MoKα","","0.0565","0.0344","","","0.074","0.0788","","","","","","0.894","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233484","13.8553","0.0012","7.6197","0.0007","12.0114","0.0011","90","","104.937","0.005","90","","1225.23","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-hydroxy-<i>N</i>-(4-methylphenyl)benzamide","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB6597","Raza, Abdul Rauf; Nisar, Bushra; Tahir, M. Nawaz; Shamshad, Sumaira","4-Chloro-2-hydroxy-<i>N</i>-(4-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","2","o391","","10.1107/S1600536812000773","","","0.71073","MoKα","","0.1039","0.0563","","","0.1382","0.1631","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233485","7.6461","0.0002","18.5051","0.0005","16.7172","0.0005","90","","91.13","0.001","90","","2364.89","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-one <i>O</i>-benzyloxime","","- C26 H26 Cl2 N2 O -","- C26 H26 Cl2 N2 O -","- C104 H104 Cl8 N8 O4 -","4","1","HB6599","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,6-Bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-one <i>O</i>-benzyloxime","Acta Crystallographica Section E","2012","68","2","o525","","10.1107/S1600536812002152","","","0.71073","MoKα","","0.1157","0.0505","","","0.1242","0.1523","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233486","8.7047","0.0017","10.749","0.002","29.653","0.006","90","","90","","90","","2774.5","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl <i>ent</i>-15α-[(2-methoxybenzyloxy)methyl]-16-oxobeyeran-20-oate","","- C31 H44 O5 -","- C31 H44 O5 -","- C124 H176 O20 -","4","1","HB6600","Wu, Ya; Wang, Xia; Gong, Jian-hong; Wei, Chang-yong; Tao, Jing-chao","Ethyl <i>ent</i>-15α-[(2-methoxybenzyloxy)methyl]-16-oxobeyeran-20-oate","Acta Crystallographica Section E","2012","68","2","o495","","10.1107/S1600536812001833","","","0.71073","MoKα","","0.0837","0.0652","","","0.1613","0.1717","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233487","7.4431","0.0015","9.0895","0.0018","9.3863","0.0019","78.46","0.03","77.79","0.03","67.86","0.03","569.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquadiformatonickel(II)]-μ-1,4- bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate]","","- C22 H24 N4 Ni O8 -","- C22 H24 N4 Ni O8 -","- C22 H24 N4 Ni O8 -","1","0.5","HB6604","Li, Hui; Sun, Hong; Chai, Xiaochuan; Yao, Chenzhong","<i>catena</i>-Poly[[[diaquadiformatonickel(II)]-μ-1,4-bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate]","Acta Crystallographica Section E","2012","68","2","m216","","10.1107/S160053681200284X","","","0.71073","MoKα","","0.03","0.0269","","","0.0601","0.0613","","","","","","1.088","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233488","5.9782","0.0001","8.792","0.0001","14.1028","0.0002","77.975","0.001","83.279","0.001","86.635","0.001","719.551","0.018","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","3-(3-Cyanobenzyl)-1-methyl-1<i>H</i>-imidazol-3-ium hexafluorophosphate","","- C12 H12 F6 N3 P -","- C12 H12 F6 N3 P -","- C24 H24 F12 N6 P2 -","2","1","HB6605","Haque, Rosenani A.; Zetty, Zulikha H.; Salman, Abbas Washeel; Fun, Hoong-Kun; Ooi, Chin Wei","3-(3-Cyanobenzyl)-1-methyl-1<i>H</i>-imidazol-3-ium hexafluorophosphate","Acta Crystallographica Section E","2012","68","2","o489","o490","10.1107/S1600536812001882","","","0.71073","MoKα","","0.0553","0.0468","","","0.1171","0.1234","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233489","11.8544","0.0008","7.6731","0.0006","17.4048","0.0015","90","","96.202","0.006","90","","1573.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-1-(3-methylphenyl)-5-phenyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","HB6607","Abdel-Aziz, Hatem A.; Al-Obaid, Abdul-Rahman M.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","3-Acetyl-1-(3-methylphenyl)-5-phenyl-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","2","o485","o486","10.1107/S160053681200181X","","","1.54178","CuKα","","0.1326","0.0589","","","0.1743","0.2273","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233490","5.7183","0.0002","8.7309","0.0003","46.9988","0.0019","90","","90","","90","","2346.46","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Di-<i>tert</i>-butyl (2<i>R</i>,3<i>R</i>)-2-({(2<i>E</i>)- 3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)-3-hydroxybutanedioate","","- C23 H30 O9 -","- C23 H30 O9 -","- C92 H120 O36 -","4","1","HB6610","Hixson, Josh L.; Taylor, Dennis K.; Ng, Seik Weng; Tiekink, Edward R. T.","1,4-Di-<i>tert</i>-butyl (2<i>R</i>,3<i>R</i>)-2-({(2<i>E</i>)-3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)-3-hydroxybutanedioate","Acta Crystallographica Section E","2012","68","2","o509","o510","10.1107/S160053681200236X","","","1.54184","CuKα","","0.0657","0.0525","","","0.1239","0.1313","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233491","25.102","0.007","12.013","0.003","10.436","0.003","90","","96.248","0.004","90","","3128.3","1.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ethoxyethyl (<i>Z</i>)-2-cyano-3-[(<i>N</i>-phenylcarbamoyl)amino]prop-2-enoate","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C120 H136 N24 O32 -","8","1","HG5148","Zhong, Shihua; Wei, Dongmei; Liu, Jianbing; Liu, Bingyu","2-Ethoxyethyl (<i>Z</i>)-2-cyano-3-[(<i>N</i>-phenylcarbamoyl)amino]prop-2-enoate","Acta Crystallographica Section E","2012","68","2","o267","","10.1107/S1600536811055000","","","0.71073","MoKα","","0.0655","0.043","","","0.1051","0.1156","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233492","7.0556","0.0007","7.4852","0.0009","14.7821","0.0016","96.89","0.001","98.762","0.001","102.105","0.002","745.03","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(4-{[(<i>E</i>)-3-Ethoxy-2-hydroxybenzylidene]amino}phenyl)ethanone oxime","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","HG5155","Zhao, Li; Dong, Xu-Tao; Xing, Si-Jia; Cheng, Qian; Zhao, Ji-Xing","1-(4-{[(<i>E</i>)-3-Ethoxy-2-hydroxybenzylidene]amino}phenyl)ethanone oxime","Acta Crystallographica Section E","2012","68","2","o429","","10.1107/S1600536812001213","","","0.71073","MoKα","","0.1289","0.0679","","","0.14","0.1679","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233493","6.9654","0.0001","17.852","0.0003","13.7121","0.0003","90","","97.833","0.002","90","","1689.14","0.05","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3,5-Dimethoxyphenyl)-2-(4-fluorophenyl)-4,5-dimethyl-1<i>H</i>-imidazole","","- C19 H19 F N2 O2 -","- C19 H19 F N2 O2 -","- C76 H76 F4 N8 O8 -","4","1","HG5156","Rosepriya, S.; Thiruvalluvar, A.; Saravanan, K.; Jayabharathi, J.; Butcher, Ray J.","1-(3,5-Dimethoxyphenyl)-2-(4-fluorophenyl)-4,5-dimethyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","2","o256","","10.1107/S1600536811055012","","","1.54184","CuKα","","0.0571","0.0455","","","0.1296","0.1382","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233494","14.2119","0.0001","14.7895","0.0001","12.0968","0.0001","90","","90","","90","","2542.59","0.03","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis{μ-2-[(dimethylamino)methyl]benzeneselenolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","","- C18.5 H25 Cl3 N2 Pd2 Se2 -","- C18 H24 Cl2 N2 Pd2 Se2 -","- C72 H96 Cl8 N8 Pd8 Se8 -","4","1","HG5157","Chakravorty, Tapash; Singh, Harkesh B.; Butcher, Ray J.","Bis{μ-2-[(dimethylamino)methyl]benzeneselenolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","2","m113","m114","10.1107/S1600536811055322","","","0.71073","MoKα","","0.0535","0.0505","","","0.1289","0.1314","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233495","15.764","0.0004","6.5194","0.0001","13.3093","0.0003","90","","93.579","0.002","90","","1365.15","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(2<i>Z</i>)-4-Oxo-4-phenylbut-2-en-2-yl]pyridine-4-carbohydrazide","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","HG5158","Bikas, Rahman; Anarjan, Parisa Mahboubi; Aslekhademi, Sanam; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>'-[(2<i>Z</i>)-4-Oxo-4-phenylbut-2-en-2-yl]pyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","2","o412","","10.1107/S1600536812000529","","","1.54184","CuKα","","0.0464","0.0387","","","0.1015","0.1089","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233496","7.1545","0.0004","12.3681","0.0007","10.5151","0.0006","90","","94.18","0.01","90","","927.98","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cretinium hydrogen oxalate","{amino[(carboxymethyl)(methyl)amino]methylidene}azanium hydrogen oxalate","","- C6 H11 N3 O6 -","- C6 H11 N3 O6 -","- C24 H44 N12 O24 -","4","1","HG5159","Ali, A. Jahubar; Athimoolam, S.; Bahadur, S. Asath","Creatinium hydrogen oxalate","Acta Crystallographica Section E","2012","68","2","o416","","10.1107/S1600536812000852","","","0.71073","MoKα","","0.0374","0.0367","","","0.1013","0.1022","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233497","8.839","0.0018","9.539","0.0019","10.515","0.002","70.22","0.03","65.29","0.03","86.66","0.03","754.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Tetrakis(1-allyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato- κ<i>N</i>)nickel(II)","","- C26 H32 N10 Ni S2 -","- C26 H32 N10 Ni S2 -","- C26 H32 N10 Ni S2 -","1","0.5","HG5160","Zheng, Shao-Mei; Jin, Yan-Ling","<i>trans</i>-Tetrakis(1-allyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","2","m188","m189","10.1107/S1600536812001584","","","0.71073","MoKα","","0.052","0.0427","","","0.116","0.1244","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233498","11.1226","0.0005","6.249","0.0002","19.8635","0.0009","90","","96.505","0.002","90","","1371.73","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-cyclohexylbenzenesulfonamide","","- C12 H16 Cl N O2 S -","- C12 H16 Cl N O2 S -","- C48 H64 Cl4 N4 O8 S4 -","4","1","HG5164","Sharif, Shahzad; Mughal, Shumaila Younas; Khan, Islam Ullah; Akkurt, Mehmet; Khan, Muneeb Hayat","4-Chloro-<i>N</i>-cyclohexylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o468","","10.1107/S1600536812001870","","","0.71069","MoKα","","0.0931","0.0525","","","0.1257","0.1497","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233499","8.1841","0.0002","9.6606","0.0003","10.8619","0.0003","96.683","0.003","98.277","0.002","94.225","0.003","840.48","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[lead(II)-bis(μ~2~-quinolin-8-olato)- κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>] <i>N</i>,<i>N</i>-dimethylformamide hemisolvate]","","- C19.5 H15.5 N2.5 O2.5 Pb -","- C19.5 H15.5 N2.5 O2.5 Pb -","- C39 H31 N5 O5 Pb2 -","2","1","HG5166","Ghaemi, Akbar; Dadkhah, Zohreh; Ng, Seik Weng; Tiekink, Edward R. T.","<i>catena</i>-Poly[[lead(II)-bis(μ~2~-quinolin-8-olato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>] <i>N</i>,<i>N</i>-dimethylformamide hemisolvate]","Acta Crystallographica Section E","2012","68","2","m210","","10.1107/S1600536812002796","","","0.71073","MoKα","","0.0243","0.0212","","","0.0468","0.0485","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233500","9.9585","0.0002","9.8949","0.0002","17.3612","0.0003","90","","100.746","0.002","90","","1680.74","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2-[(5-Chloro-2-oxidophenyl)iminomethyl]-4-bromophenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)(methanolato- κ<i>O</i>)oxidovanadium(V)","","- C15 H14 Br Cl N O5 V -","- C15 H14 Br Cl N O5 V -","- C60 H56 Br4 Cl4 N4 O20 V4 -","4","1","HG5167","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","{4-Bromo-2-[(5-chloro-2-oxidophenyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V)","Acta Crystallographica Section E","2012","68","2","m221","m222","10.1107/S160053681200311X","","","1.54184","CuKα","","0.0503","0.0463","","","0.1262","0.1312","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233501","7.5117","0.0015","11.4","0.002","12.896","0.004","90","","109.04","0.03","90","","1043.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-4-carboxy-2-(pyridin-4-yl)-1<i>H</i>-imidazole-5-carboxylato- κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]nickel(II)]","","- C10 H7 N3 Ni O5 -","- C10 H7 N3 Ni O5 -","- C40 H28 N12 Ni4 O20 -","4","1","HP2024","Jing, Xue-Min; Gong, Shu-zhe; Xiao, Li-Wei","Poly[aqua[μ~3~-4-carboxy-2-(pyridin-4-yl)-1<i>H</i>-imidazole-5-carboxylato-κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]nickel(II)]","Acta Crystallographica Section E","2012","68","2","m187","","10.1107/S1600536812001900","","","0.71073","MoKα","","0.0656","0.0507","","","0.1116","0.1179","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233502","12.4002","0.001","8.457","0.0007","20.0316","0.0019","90","","97.278","0.004","90","","2083.8","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(3,5-dichlorosalicylidene)-2,2-dimethyl-1,3-propane copper(II)","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]}copper(II)","","- C19 H16 Cl4 Cu N2 O2 -","- C19 H16 Cl4 Cu N2 O2 -","- C76 H64 Cl16 Cu4 N8 O8 -","4","1","HP2025","Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}copper(II)","Acta Crystallographica Section E","2012","68","2","m182","","10.1107/S160053681200195X","","","0.71073","MoKα","","0.1033","0.0469","","","0.0873","0.1053","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233503","25.2845","0.0017","7.3173","0.0004","16.6001","0.0009","90","","122.637","0.004","90","","2586.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{2,2'-[(2-aminoethyl)azanediyl]diethanaminium} di-μ-sulfido-bis(disulfidogermanate)","","- C12 H40 Ge2 N8 S6 -","- C12 H40 Ge2 N8 S6 -","- C48 H160 Ge8 N32 S24 -","4","0.5","HY2497","Xu, Chao; Zhang, Jing-Jing; Duan, Taike; Chen, Qun; Zhang, Qian-Feng","Bis{2,2'-[(2-aminoethyl)azanediyl]diethanaminium} di-μ-sulfido-bis(disulfidogermanate)","Acta Crystallographica Section E","2012","68","2","m154","","10.1107/S160053681200092X","","","0.71073","MoKα","","0.0626","0.0418","","","0.0974","0.1111","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233504","9.881","0.002","10.373","0.002","11.964","0.002","102.51","0.03","105.07","0.03","111.16","0.03","1036.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","{(<i>E</i>)-4-Hydroxy-<i>N</i>'-[phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]benzohydrazide-κ^2^<i>N</i>',<i>O</i>}bis(nitrato- κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C19 H15 Cu N5 O8 -","- C19 H15 Cu N5 O8 -","- C38 H30 Cu2 N10 O16 -","2","1","HY2498","Bikas, Rahman; Sattari, Farhad; Notash, Behrouz","{(<i>E</i>)-4-Hydroxy-<i>N</i>'-[phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]benzohydrazide-κ^2^<i>N</i>',<i>O</i>}bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2012","68","2","m132","m133","10.1107/S1600536811055772","","","0.71073","MoKα","","0.0763","0.0515","","","0.1524","0.1974","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233505","8.3846","0.0015","9.6352","0.0018","18.348","0.003","91.81","0.003","92.508","0.003","114.967","0.003","1340.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(10-methoxybenzo[<i>h</i>]quinolinium) tetrachloridozinc","","- C28 H24 Cl4 N2 O2 Zn -","- C28 H24 Cl4 N2 O2 Zn -","- C56 H48 Cl8 N4 O4 Zn2 -","2","1","HY2499","Dong, Zhenming; Liu, Bo","Bis(10-methoxybenzo[<i>h</i>]quinolinium) tetrachloridozinc","Acta Crystallographica Section E","2012","68","2","m131","","10.1107/S1600536811055462","","","0.71073","MoKα","","0.0925","0.0726","","","0.1823","0.22","","","","","","1.175","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233506","7.9552","0.0016","8.9453","0.0018","15.563","0.003","81.27","0.03","84.24","0.03","68.25","0.03","1015.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[copper(II)-bis(μ-2-formyl-6-methoxyphenolato- κ^4^<i>O</i>^2^,<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^6^)-[(methanol- κ<i>O</i>)sodium]-μ-perchlorato-κ^2^<i>O</i>:<i>O</i>']","","- C17 H18 Cl Cu Na O11 -","- C17 H18 Cl Cu Na O11 -","- C34 H36 Cl2 Cu2 Na2 O22 -","2","1","HY2501","Gao, Ting; Gao, Po; Li, Hong-Feng; Zhang, Ju-Wen; Xu, Li-Li","<i>catena</i>-Poly[copper(II)-bis(μ-2-formyl-6-methoxyphenolato-κ^4^<i>O</i>^2^,<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^6^)-[(methanol-κ<i>O</i>)sodium]-μ-perchlorato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2012","68","2","m152","","10.1107/S1600536812000876","","","0.71073","MoKα","","0.0401","0.0336","","","0.0947","0.1078","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233507","8.8409","0.0005","10.814","0.0005","13.5141","0.0006","79.895","0.004","71.5","0.004","69.817","0.004","1146.86","0.11","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","Aqua[1,8-bis(pyridin-2-yl)-3,6-dithiaoctane- κ^4^<i>N</i>,<i>S</i>,<i>S</i>',<i>N</i>']copper(II) dinitrate acetonitrile monosolvate","","- C18 H25 Cu N5 O7 S2 -","- C18 H25 Cu N5 O7 S2 -","- C36 H50 Cu2 N10 O14 S4 -","2","1","HY2502","Manzanera-Estrada, Mayra; Flores-Alamo, Marcos; Grevy M., Jean-Michel; Ruiz-Azuara, Lena; Ortiz-Frade, Luis","Aqua[1,8-bis(pyridin-2-yl)-3,6-dithiaoctane-κ^4^<i>N</i>,<i>S</i>,<i>S</i>',<i>N</i>']copper(II) dinitrate acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","2","m135","m136","10.1107/S1600536811056145","","","0.71073","MoKα","","0.0377","0.0295","","","0.0741","0.0757","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233508","12.1171","0.0007","15.9875","0.001","15.7498","0.0007","90","","121.739","0.003","90","","2594.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole- κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(benzene-1,2-dicarboxylic acid-κ<i>O</i>)copper(II) bis(2-carboxybenzoate)","","- C56 H42 Cu N12 O16 -","- C56 H42 Cu N12 O16 -","- C112 H84 Cu2 N24 O32 -","2","0.5","HY2503","Yan, Yan; Yu, Wen-Jing; Chen, Jing","Bis[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(benzene-1,2-dicarboxylic acid-κ<i>O</i>)copper(II) bis(2-carboxybenzoate)","Acta Crystallographica Section E","2012","68","2","m129","m130","10.1107/S1600536812000128","","","0.71073","MoKα","","0.0491","0.0345","","","0.0909","0.0977","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233509","6.739","0.004","11.149","0.006","21.814","0.012","92.221","0.006","95.993","0.008","96.727","0.009","1616.6","1.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis{bis[4-(adamantan-1-ylcarbamoyl)pyridine- κ<i>N</i>]chloridocopper(II)} hemihydrate","","- C64 H81 Cl4 Cu2 N8 O4.5 -","- C64 H81 Cl4 Cu2 N8 O4.5 -","- C64 H81 Cl4 Cu2 N8 O4.5 -","1","0.5","HY2504","Wang, Ying-Chun","Di-μ-chlorido-bis{bis[4-(adamantan-1-ylcarbamoyl)pyridine-κ<i>N</i>]chloridocopper(II)} hemihydrate","Acta Crystallographica Section E","2012","68","2","m147","","10.1107/S1600536812000670","","","0.71073","MoKα","","0.0894","0.0689","","","0.1793","0.1968","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233510","12.1503","0.0006","10.7767","0.0005","16.2295","0.0008","90","","99.514","0.001","90","","2095.86","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')iodidocalcium iodide","","- C12 H30 Ca I2 O6 -","- C12 H30 Ca I2 O6 -","- C48 H120 Ca4 I8 O24 -","4","1","HY2505","Ou, Siou-Wei; Lu, Wei-Yi; Chen, Hsuan-Ying","Tris(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')iodidocalcium iodide","Acta Crystallographica Section E","2012","68","2","m172","","10.1107/S160053681200075X","","","0.71073","MoKα","","0.017","0.0162","","","0.043","0.0434","","","","","","1.193","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233511","15.165","0.003","10.858","0.002","25.976","0.008","90","","123.84","0.02","90","","3552.7","1.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Allyl(ferrocenylmethyl)dimethylammonium perchlorate","","- C16 H22 Cl Fe N O4 -","- C16 H22 Cl Fe N O4 -","- C128 H176 Cl8 Fe8 N8 O32 -","8","2","HY2506","Wang, Ying-Chun","Allyl(ferrocenylmethyl)dimethylammonium perchlorate","Acta Crystallographica Section E","2012","68","2","m180","","10.1107/S1600536812001766","","","0.71073","MoKα","","0.1373","0.0652","","","0.1365","0.1672","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233512","9.109","0.0012","12.3571","0.0017","17.024","0.002","92.684","0.002","101.551","0.002","92.493","0.002","1872.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-carboxy-5-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1^)bis[(2,2'- bipyridine-κ^2^<i>N</i>:<i>N</i>')chloridocopper(II)] dihydrate","","- C36 H28 Cl2 Cu2 N6 O14 -","- C36 H28 Cl2 Cu2 N6 O14 -","- C72 H56 Cl4 Cu4 N12 O28 -","2","1","IM2329","Wang, Hui","Bis(μ-2-carboxy-5-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1^)bis[(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')chloridocopper(II)] dihydrate","Acta Crystallographica Section E","2012","68","2","m95","","10.1107/S1600536811046782","","","0.71073","MoKα","","0.0799","0.0515","","","0.1321","0.1488","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233513","11.585","0.002","12.597","0.003","15.273","0.003","77.75","0.03","84.88","0.03","89.54","0.03","2169.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>cyclo</i>-Tetrakis{μ-2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3- diyl]di(1<i>H</i>-benzimidazole)- κ^2^<i>N</i>^3^:<i>N</i>^3'^}tetrakis[bromidocopper(I)]","","- C84 H88 Br12 Cu4 N16 -","- C84 H88 Br12 Cu4 N16 -","- C84 H88 Br12 Cu4 N16 -","1","0.5","IM2344","Wang, Xing; Liu, Chun-Bo; Yan, Yong-Sheng; Wang, Shen-Tang; Liu, Ling","<i>cyclo</i>-Tetrakis{μ-2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]di(1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^}tetrakis[bromidocopper(I)]","Acta Crystallographica Section E","2012","68","2","m153","","10.1107/S160053681200102X","","","0.71073","MoKα","","0.1005","0.0791","","","0.167","0.1769","","","","","","1.12","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233514","30.2449","0.0009","7.0841","0.0003","14.6755","0.0005","90","","90","","90","","3144.34","0.19","145","","145","","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-(5-Oxo-5<i>H</i>-1,2,4-dithiazol-3-yl)phenyl 4-methylbenzenesulfonate","","- C15 H11 N O4 S3 -","- C15 H11 N O4 S3 -","- C120 H88 N8 O32 S24 -","8","1","IM2348","Yang, Jian-Zhong; Pi, Wei-Yi; Luo, You-Fu","4-(5-Oxo-5<i>H</i>-1,2,4-dithiazol-3-yl)phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","2","o450","","10.1107/S1600536811055607","","","0.7107","MoKα","","0.0403","0.0315","","","0.0731","0.0779","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233515","15.6732","0.0009","7.4208","0.0004","11.0544","0.0006","90","","103.169","0.006","90","","1251.9","0.12","180","2","180","2","","","","","","","","3","C 1 2 1","C 2y","5","","9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b- hexahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","IM2349","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Mellouki, Fouad; Berraho, Moha","9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","2","o386","","10.1107/S1600536812000165","","","0.71073","MoKα","","0.0311","0.0297","","","0.0789","0.0799","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233516","31.015","0.0006","17.501","0.0005","8.0461","0.0009","90","","90","","90","","4367.4","0.5","150","1","150","1","","","","","","","","4","A b a 2","A 2 -2ab","41","","4,5-Diiodo-2-phenyl-1<i>H</i>-imidazole","","- C9 H6 I2 N2 -","- C9 H6 I2 N2 -","- C144 H96 I32 N32 -","16","","IM2350","Chlupatý, Tomáš; Pařík, Patrik; Padělková, Zdeňka","4,5-Diiodo-2-phenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","2","o553","o554","10.1107/S1600536812003017","","","0.71073","MoKα","","0.0362","0.0289","","","0.0497","0.0513","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233517","35.338","0.003","35.338","0.003","10.566","0.0008","90","","90","","120","","11426.8","1.6","220","2","220","2","","","","","","","","5","R -3 :H","-R 3","148","","[3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate","","- C29 H29 O S Sn -","- C29 H29 O S Sn -","- C522 H522 O18 S18 Sn18 -","18","1","IS5011","Ludwig, Gerd; Block, Michael; Wagner, Christoph; Steinborn, Dirk","[3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate","Acta Crystallographica Section E","2012","68","2","m149","","10.1107/S1600536811055474","","","0.71073","MoKα","","0.0415","0.0291","","0.0615","","0.065","","","0.99","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233518","18.499","0.0011","14.2097","0.0009","9.2422","0.0006","90","","98.542","0.001","90","","2402.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{<i>N</i>-ethyl-2-[3-(hydroxyimino-κ<i>N</i>)butan-2- ylidene]hydrazinecarbothioamide-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) dichloride","","- C14 H28 Cl2 N8 Ni O2 S2 -","- C14 H28 Cl2 N8 Ni O2 S2 -","- C56 H112 Cl8 N32 Ni4 O8 S8 -","4","1","IS5020","Abduelftah, Halema Shaban; Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun","Bis{<i>N</i>-ethyl-2-[3-(hydroxyimino-κ<i>N</i>)butan-2-ylidene]hydrazinecarbothioamide-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) dichloride","Acta Crystallographica Section E","2012","68","2","m183","m184","10.1107/S1600536811055383","","","0.71073","MoKα","","0.0531","0.033","","","0.0801","0.0892","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233519","17.1691","0.0002","9.6694","0.0001","19.1447","0.0003","90","","109.171","0.001","90","","3002.05","0.07","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","3β-Acetoxy-5α-cholestan-6-one 2-cyanoacetylhydrazone","6-[2-(2-Cyanoacetyl)hydrazin-1-ylidene]-5α-cholestan-3β-yl acetate","","- C32 H51 N3 O3 -","- C32 H51 N3 O3 -","- C128 H204 N12 O12 -","4","2","IS5021","Yusufzai, Samina Khan; Osman, Hasnah; Sulaiman, Othman; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Acetoxy-5α-cholestan-6-one 2-cyanoacetylhydrazone","Acta Crystallographica Section E","2012","68","2","o473","o474","10.1107/S1600536812001432","","","0.71073","MoKα","","0.0868","0.0537","","","0.1038","0.1174","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233520","8.9484","0.0001","13.8043","0.0002","35.4643","0.0005","90","","95.78","0.001","90","","4358.51","0.1","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{2-[3-(hydroxyimino-κ<i>N</i>)butan-2-ylidene]-<i>N</i>- methylhydrazinecarbothioamide-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) dichloride","","- C12 H24 Cl2 N8 Ni O2 S2 -","- C12 H24 Cl2 N8 Ni O2 S2 -","- C96 H192 Cl16 N64 Ni8 O16 S16 -","8","2","IS5023","Abduelftah, Halema Shaban; Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun","Bis{2-[3-(hydroxyimino-κ<i>N</i>)butan-2-ylidene]-<i>N</i>-methylhydrazinecarbothioamide-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) dichloride","Acta Crystallographica Section E","2012","68","2","m108","m109","10.1107/S1600536811055395","","","0.71073","MoKα","","0.081","0.0433","","","0.0805","0.0929","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233521","6.7784","0.0003","25.2104","0.0011","8.4628","0.0004","90","","90.339","0.002","90","","1446.15","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C14 H12 Cl N3 S2 -","- C14 H12 Cl N3 S2 -","- C56 H48 Cl4 N12 S8 -","4","1","IS5024","Fun, Hoong-Kun; Suwunwong, Thitipone; Chantrapromma, Suchada","3-(4-Chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2012","68","2","o259","o260","10.1107/S1600536811054754","","","0.71073","MoKα","","0.0543","0.0488","","","0.1327","0.1384","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233522","8.437","0.005","13.229","0.005","19.165","0.005","90","","98.683","0.005","90","","2114.5","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dibutoxy-2,5-bis{(<i>Z</i>)-2-[4-(9<i>H</i>-carbazol- 9-yl)phenyl]ethenyl}benzene","","- C54 H48 N2 O2 -","- C54 H48 N2 O2 -","- C108 H96 N4 O4 -","2","0.5","IS5035","Fei, Wen-Wen; Li, Rui; Wang, Zhen-Yu; Wu, Jie-Ying","1,4-Dibutoxy-2,5-bis{(<i>Z</i>)-2-[4-(9<i>H</i>-carbazol-9-yl)phenyl]ethenyl}benzene","Acta Crystallographica Section E","2012","68","2","o321","","10.1107/S1600536812000414","","","0.71069","MoKα","","0.0637","0.0516","","","0.1394","0.153","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233523","9.6981","0.0008","15.3893","0.0011","13.8546","0.0011","90","","105.772","0.0007","90","","1989.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,4,4-Tetra-<i>tert</i>-butyl-1,4-dichloro-2,2,3,3-tetraphenyltetrasilane","","- C40 H56 Cl2 Si4 -","- C40 H56 Cl2 Si4 -","- C80 H112 Cl4 Si8 -","2","0.5","IS5036","Otsuka, Kyohei; Ishida, Shintaro; Kyushin, Soichiro","1,1,4,4-Tetra-<i>tert</i>-butyl-1,4-dichloro-2,2,3,3-tetraphenyltetrasilane","Acta Crystallographica Section E","2012","68","2","o424","","10.1107/S1600536812000669","","","0.71073","MoKα","","0.0382","0.0374","","","0.0933","0.0937","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233524","8.338","0.002","8.61","0.002","18.923","0.005","90","","94.467","0.004","90","","1354.4","0.6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Furan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","IS5037","Suwunwong, Thitipone; Chantrapromma, Suchada; Karalai, Chatchanok; Wisitsak, Pitikan; Fun, Hoong-Kun","(<i>E</i>)-1-(Furan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o317","o318","10.1107/S1600536812000037","","","0.71073","MoKα","","0.1214","0.0643","","","0.1419","0.1753","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233525","9.9163","0.001","14.4759","0.0014","14.9917","0.0015","90","","103.663","0.002","90","","2091.1","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diiodidobis(2-phenylpyridine-κ<i>N</i>)palladium(II)","","- C22 H18 I2 N2 Pd -","- C22 H18 I2 N2 Pd -","- C88 H72 I8 N8 Pd4 -","4","1","IS5038","Ha, Kwang","<i>trans</i>-Diiodidobis(2-phenylpyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section E","2012","68","2","m102","","10.1107/S1600536811055425","","","0.71073","MoKα","","0.1109","0.0407","","","0.0782","0.1104","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233526","25.2357","0.0006","8.5624","0.0002","16.0329","0.0004","90","","104.048","0.001","90","","3360.75","0.14","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>'-[(<i>Z</i>)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","IS5039","Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Ejaz; Khan, Islam Ullah; Arshad, Muhammad Nadeem","<i>N</i>'-[(<i>Z</i>)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2012","68","2","o352","","10.1107/S1600536812000402","","","0.71073","MoKα","","0.0789","0.0433","","","0.1033","0.1192","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233527","8.365","0.002","10.408","0.002","11.487","0.003","90","","91.768","0.004","90","","999.6","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Butylbis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(pyridine- κ<i>N</i>)cobalt(III)","","- C17 H28 Co N5 O4 -","- C17 H28 Co N5 O4 -","- C34 H56 Co2 N10 O8 -","2","1","IS5041","Kumar, Sarvendra; Thapa, Suresh","Butylbis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(pyridine-κ<i>N</i>)cobalt(III)","Acta Crystallographica Section E","2012","68","2","m156","m157","10.1107/S1600536812000967","","","0.71073","MoKα","","0.0464","0.0423","","","0.0954","0.0995","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233528","8.2713","0.0005","14.144","0.0009","9.0762","0.0006","90","","97.634","0.001","90","","1052.41","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-[1,4-Phenylenebis(methylene)]bis(<i>N</i>,<i>N</i>- diethylethanaminium) dibromide","","- C20 H38 Br2 N2 -","- C20 H38 Br2 N2 -","- C40 H76 Br4 N4 -","2","0.5","IS5042","Abdul Rahim, Munirah Sufiyah; Khaledi, Hamid; Alias, Yatimah; Welz-Biermann, Urs","<i>N</i>,<i>N</i>'-[1,4-Phenylenebis(methylene)]bis(<i>N</i>,<i>N</i>-diethylethanaminium) dibromide","Acta Crystallographica Section E","2012","68","2","o369","","10.1107/S1600536812000141","","","0.71073","MoKα","","0.0204","0.0174","","","0.0423","0.0433","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233529","15.6737","0.0005","8.2831","0.0002","22.3326","0.0007","90","","90","","90","","2899.37","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Ethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","IS5044","Farrukh, Muhammad Akhyar; Faryal, Komal; Mahboob, Maymoona; Qureshi, Fahim Ashraf; Akkurt, Mehmet","<i>N</i>-Ethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o326","","10.1107/S1600536812000177","","","0.71073","MoKα","","0.0654","0.0435","","","0.1166","0.1363","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233530","10.4583","0.0003","12.8103","0.0004","16.183","0.0005","90","","106.693","0.001","90","","2076.73","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(carbamoylcarbamothioyl)benzamide","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C72 H72 N24 O16 S8 -","8","1","IS5045","Kang, Sung Kwon; Cho, Nam Sook; Jeon, Min Kyeong","1-Benzoyl-2-thiobiuret","Acta Crystallographica Section E","2012","68","2","o395","","10.1107/S1600536812000621","","","0.71073","MoKα","","0.0539","0.0393","","","","0.1136","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233531","10.283","0.003","10.558","0.003","16.409","0.005","75.7","0.04","85.4","0.02","63.403","0.015","1542.7","0.9","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-Benzylidene-2,2-diphenylhydrazine","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","2","IS5046","Mendoza, Angel; Meléndrez-Luevano, Ruth; Cabrera-Vivas, Blanca M.; Lozano-Márquez, Claudia D.; Carranza, Vladimir","(<i>E</i>)-1-Benzylidene-2,2-diphenylhydrazine","Acta Crystallographica Section E","2012","68","2","o434","","10.1107/S1600536812000657","","","0.71073","MoKα","","0.0964","0.0561","","","","0.176","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233532","9.8352","0.0013","5.7244","0.0006","14.419","0.0019","90","","96.285","0.012","90","","806.92","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(4-Methylphenyl)-1<i>H</i>-1,2,3,4-tetrazole","","- C8 H8 N4 -","- C8 H8 N4 -","- C32 H32 N16 -","4","1","IS5047","Baek, Kwan; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae","1-(4-Methylphenyl)-1<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section E","2012","68","2","o394","","10.1107/S1600536812000797","","","0.71073","MoKα","","0.099","0.0671","","","0.1802","0.2108","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233533","3.8362","0.0002","9.0524","0.0003","24.8876","0.0011","90","","91.956","0.004","90","","863.76","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3,5-Dichlorophenyl)-1<i>H</i>-1,2,3,4-tetrazole","","- C7 H4 Cl2 N4 -","- C7 H4 Cl2 N4 -","- C28 H16 Cl8 N16 -","4","1","IS5049","Kalkhambkar, Rajesh G.; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae","1-(3,5-Dichlorophenyl)-1<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section E","2012","68","2","o433","","10.1107/S1600536812001225","","","0.71073","MoKα","","0.0674","0.0573","","","0.1097","0.1141","","","","","","1.174","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233534","10.558","0.002","9.287","0.002","11.047","0.002","90","","117.157","0.004","90","","963.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl 2-(1<i>H</i>-imidazol-1-yl)acetate","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C36 H56 N8 O8 -","4","1","IS5051","Al-Mohammed, Nassir N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","<i>tert</i>-Butyl 2-(1<i>H</i>-imidazol-1-yl)acetate","Acta Crystallographica Section E","2012","68","2","o445","","10.1107/S1600536812001067","","","0.71073","MoKα","","0.059","0.0401","","","0.0873","0.0965","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233535","6.0308","0.0012","8.1171","0.0016","8.7616","0.0018","116.55","0.04","93.7","0.03","106.1","0.03","359.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Ethoxy-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C4 H6 N2 O S2 -","- C4 H6 N2 O S2 -","- C8 H12 N4 O2 S4 -","2","1","IS5053","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","5-Ethoxy-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","2","o503","","10.1107/S1600536812002024","","","0.71073","MoKα","","0.0464","0.0347","","","","0.106","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233536","11.5129","0.0002","7.0934","0.0001","22.3946","0.0004","90","","96.75","0.001","90","","1816.19","0.05","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","<i>ent</i>-15<i>S</i>-prima-8(14)-ene-15,16-diol Ceriotagalsin L","(<i>S</i>)-1-[(2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-2,4b,8,8-tetramethyl- 2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]ethane-1,2-diol","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","2","IS5054","Fun, Hoong-Kun; Chantrapromma, Suchada; Pakhathirathien, Charoen; Karalai, Chatchanok; Chantrapromma, Kan","<i>ent</i>-(15<i>S</i>)-Pimar-8(14)-ene-15,16-diol","Acta Crystallographica Section E","2012","68","2","o520","o521","10.1107/S1600536812002565","","","0.71073","MoKα","","0.0491","0.0414","","","0.1008","0.1057","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233537","6.2688","0.0003","9.2387","0.0004","14.828","0.0007","90","","90","","90","","858.77","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Isopropylimidazolidine-2,4-dione monohydrate","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C24 H48 N8 O12 -","4","1","IS5056","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Obaid, Abdulrahman M.; Hemamalini, Madhukar; Fun, Hoong-Kun","5-Isopropylimidazolidine-2,4-dione monohydrate","Acta Crystallographica Section E","2012","68","2","o533","","10.1107/S1600536812002838","","","1.54178","CuKα","","0.0398","0.0366","","","0.0949","0.0977","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233538","3.9797","0.0005","20.138","0.003","14.4305","0.0018","90","","92.036","0.002","90","","1155.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Ethoxy-1,3,4-thiadiazol-2-yl)benzamide","","- C11 H11 N3 O2 S -","- C11 H11 N3 O2 S -","- C44 H44 N12 O8 S4 -","4","1","IS5058","Kang, Sung Kwon; Cho, Nam Sook; Jeon, Min Kyeong","<i>N</i>-(5-Ethoxy-1,3,4-thiadiazol-2-yl)benzamide","Acta Crystallographica Section E","2012","68","2","o544","","10.1107/S1600536812002978","","","0.71073","MoKα","","0.1094","0.0403","","","","0.0806","","","","","","0.744","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233539","13.9784","0.0011","13.5565","0.0011","8.3334","0.0007","90","","91.233","0.001","90","","1578.8","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-<i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide","","- C15 H15 Cl N2 O2 S -","- C15 H15 Cl N2 O2 S -","- C60 H60 Cl4 N8 O8 S4 -","4","1","IS5060","Fun, Hoong-Kun; Chantrapromma, Suchada; Dayananda, A. S.; Yathirajan, H. S.; Ramesha, A. R.","2-Amino-<i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide","Acta Crystallographica Section E","2012","68","2","o547","o548","10.1107/S1600536812003261","","","0.71073","MoKα","","0.064","0.0493","","","0.1452","0.1628","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233540","14.035","0.002","14.842","0.002","12.3188","0.0016","90","","90","","90","","2566.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis{μ-2-[(dimethylamino)methyl]benzenetellurolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","","- C18.5 H25 Cl3 N2 Pd2 Te2 -","- C18.5 H25 Cl3 N2 Pd2 Te2 -","- C74 H100 Cl12 N8 Pd8 Te8 -","4","1","JJ2116","Butcher, Ray J.; Chakravorty, Tapash; Singh, Harkesh B.","Bis{μ-2-[(dimethylamino)methyl]benzenetellurolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","2","m141","m142","10.1107/S1600536812000104","","","0.71073","MoKα","","0.0426","0.0392","","","0.1005","0.102","","","","","","1.062","","","","has coordinates","197043","2020-10-21","18:00:00",""
"2233541","9.5635","0.0014","11.8971","0.0016","18.845","0.003","90","","94.581","0.002","90","","2137.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-acetato-di-μ~2~-azido-di-μ~3~-methanol-tetrakis{μ-2-[(2-methyl-1- oxidopropan-2-yl)iminomethyl]-6-methoxyphenolato}tetranickel(II) methanol disolvate","","- C32 H52 N8 Ni4 O14 -","- C32 H50 N8 Ni4 O14 -","- C64 H100 N16 Ni8 O28 -","2","0.5","KP2370","Tan, Shan-Yong; Chang, Fei; Gao, Yan-Peng","Di-μ~2~-acetato-di-μ~2~-azido-di-μ~3~-methanol-tetrakis{μ-2-[(2-methyl-1-oxidopropan-2-yl)iminomethyl]-6-methoxyphenolato}tetranickel(II) methanol disolvate","Acta Crystallographica Section E","2012","68","2","m150","m151","10.1107/S1600536811055164","","","0.71073","MoKα","","0.0401","0.0345","","","0.1041","0.1097","","","","","","0.837","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233542","5.4084","0.0006","12.2076","0.0014","19.391","0.002","90","","92.025","0.002","90","","1279.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,10-Bis[2-(prop-1-enyl)phenoxy]decane","","- C28 H38 O2 -","- C28 H38 O2 -","- C56 H76 O4 -","2","0.5","KP2373","Maharramov, Abel M.; Bayramov, Musa R.; Mehdiyeva, Gunay M.; Hoseinzadeh, Shahnaz B.; Rashidov, Bahruz A.","1,10-Bis[2-(prop-1-enyl)phenoxy]decane","Acta Crystallographica Section E","2012","68","2","o266","","10.1107/S1600536811055061","","","0.71073","MoKα","","0.101","0.0693","","","0.2095","0.2447","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233543","14.6525","0.0003","10.2523","0.0003","19.2425","0.0004","90","","90","","90","","2890.64","0.12","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-Bis(2-methylphenyl)-3-nitroformazan","2-[(2-methylphenyl)amino]-3-[(2-methylphenyl)imino]-1,1-dioxoguanidine","","- C15 H15 N5 O2 -","- C15 H15 N5 O2 -","- C120 H120 N40 O16 -","8","1","KP2378","von Eschwege, Karel G.; Hosten, Eric C.; Muller, Alfred","1,5-Bis(2-methylphenyl)-3-nitroformazan","Acta Crystallographica Section E","2012","68","2","o425","","10.1107/S1600536812001171","","","0.71073","MoKα","","0.0892","0.0603","","","","0.1797","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233544","7.7978","0.0009","10.7744","0.0012","35.325","0.004","90","","90","","90","","2967.9","0.6","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(5-phenyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanido-κ^2^<i>N</i>:<i>S</i>]","","- C17 H12 Cu N3 S -","- C17 H12 Cu N3 S -","- C136 H96 Cu8 N24 S8 -","8","1","KP2379","Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Wang, Hui","<i>catena</i>-Poly[[(5-phenyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanido-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","2","m165","","10.1107/S1600536812000682","","","0.71073","MoKα","","0.051","0.0347","","","0.0838","0.0914","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233545","5.6262","0.0007","16.273","0.002","18.57","0.003","90","","90.125","0.004","90","","1700.2","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-9-(4-Chlorostyryl)-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene- 1,8-dione","","- C21 H19 Cl O3 -","- C21 H19 Cl O3 -","- C84 H76 Cl4 O12 -","4","1","KP2380","Lee, Jae Kyun; Pae, Ae Nim; Cho, Yong Seo; Cha, Joo Hwan","(<i>E</i>)-9-(4-Chlorostyryl)-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2012","68","2","o501","","10.1107/S1600536812002139","","","0.71075","MoKα","","","0.0585","","","","0.1571","","","","","","0.946","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233546","15.922","0.005","10.107","0.005","19.034","0.005","90","","90","","90","","3063","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one","","- C15 H18 I N O2 -","- C15 H18 I N O2 -","- C120 H144 I8 N8 O16 -","8","1","KP2383","Paramasivam, S.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.","2-Iodo-3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o506","","10.1107/S1600536812002255","","","0.71073","MoKα","","0.0441","0.0267","","","0.0651","0.0737","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233547","8.1369","0.0016","27.737","0.006","7.6709","0.0015","90","","98.51","0.03","90","","1712.2","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-Chlorophenyl){2-ethoxy-5-[(<i>Z</i>)-hydroxy(phenyl)methylidene]cyclopenta- 1,3-dien-1-yl}methanone","","- C21 H17 Cl O3 -","- C21 H17 Cl O3 -","- C84 H68 Cl4 O12 -","4","1","LD2041","Tinţaş, Mihaela-Liliana; Varga, Richard A.; Grosu, Ion; Bogdan, Elena","(3-Chlorophenyl){2-ethoxy-5-[(<i>Z</i>)-hydroxy(phenyl)methylidene]cyclopenta-1,3-dien-1-yl}methanone","Acta Crystallographica Section E","2012","68","2","o310","o311","10.1107/S1600536811055279","","","0.71073","MoKα","","0.0705","0.0614","","","0.1208","0.125","","","","","","1.171","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233548","8.1899","0.0003","8.8361","0.0004","8.9045","0.0004","101.624","0.002","106.694","0.001","114.898","0.001","519.89","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(Propan-2-yloxy)-1,2-benzothiazole 1,1-dioxide","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C20 H22 N2 O6 S2 -","2","1","LD2045","Khan, Muneeb Hayat; Khan, Islam Ullah; Mughal, Shumaila Younas; Akkurt, Mehmet","3-(Propan-2-yloxy)-1,2-benzothiazole 1,1-dioxide","Acta Crystallographica Section E","2012","68","2","o507","","10.1107/S1600536812002413","","","0.71073","MoKα","","0.0454","0.0361","","","0.0958","0.102","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233549","8.9859","0.0013","9.1601","0.0011","17.476","0.003","90","","93.629","0.005","90","","1435.6","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(thiophene-2-methyl)-2-(2-thiophene)benzimidazole","2-(Thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole","","- C16 H12 N2 S2 -","- C16 H12 N2 S2 -","- C64 H48 N8 S8 -","4","1","LH5359","Geiger, David K.; Geiger, H. Cristina; Williams, Leo; Noll, Bruce C.","2-(Thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","2","o420","","10.1107/S1600536811055103","","","0.71073","MoKα","","0.0557","0.0395","","","0.095","0.1027","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233550","7.136","0.002","11.925","0.004","16.577","0.005","74.458","0.003","86.358","0.004","72.908","0.003","1298.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","μ-1,4-Bis(pyridin-4-ylmethyl)piperazine-κ^2^<i>N</i>:<i>N</i>'- bis[aquabis(3-bromo-5-carboxybenzoato-κ<i>O</i>^1^)copper(II)]","","- C48 H40 Br4 Cu2 N4 O18 -","- C48 H40 Br4 Cu2 N4 O18 -","- C48 H40 Br4 Cu2 N4 O18 -","1","0.5","LH5391","Meyer, Jodi L.; LaDuca, Robert L.","μ-1,4-Bis(pyridin-4-ylmethyl)piperazine-κ^2^<i>N</i>:<i>N</i>'-bis[aquabis(3-bromo-5-carboxybenzoato-κ<i>O</i>^1^)copper(II)]","Acta Crystallographica Section E","2012","68","2","m155","","10.1107/S1600536812000979","","","0.71073","MoKα","","0.0396","0.0336","","","0.0887","0.0918","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233551","11.0641","0.0007","9.8255","0.0005","30.7834","0.0014","90","","91.177","0.004","90","","3345.8","0.3","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Chlorophenyl)-1-(5-hydroxy-2,2-dimethyl-2<i>H</i>- chromen-6-yl)prop-2-en-1-one","","- C20 H17 Cl O3 -","- C20 H17 Cl O3 -","- C160 H136 Cl8 O24 -","8","2","LH5397","Tang, Jie; Chen, Jin-ying; Jiang, Ling-qun","(<i>E</i>)-3-(4-Chlorophenyl)-1-(5-hydroxy-2,2-dimethyl-2<i>H</i>-chromen-6-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o278","","10.1107/S1600536811055255","","","0.7107","MoKα","","0.1002","0.0543","","","0.1186","0.1445","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233552","9.9469","0.0003","10.5845","0.0003","11.3184","0.0003","69.679","0.001","67.374","0.001","70.135","0.001","1001.77","0.05","100","1","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-1<i>H</i>- benzimidazole-5-carboxylate","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C46 H50 N6 O6 -","2","1","LH5398","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","2","o251","o252","10.1107/S1600536811054833","","","0.71073","MoKα","","0.0664","0.0549","","","0.139","0.1478","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233553","8.09","0.002","9.547","0.003","14.047","0.004","77.299","0.006","76.198","0.005","67.488","0.004","963.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 1-(2,4-dichlorobenzyl)-4-oxo-7-trifluoromethyl-1,4-dihydroquinoline-3- carboxylate","","- C20 H14 Cl2 F3 N O3 -","- C20 H14 Cl2 F3 N O3 -","- C40 H28 Cl4 F6 N2 O6 -","2","1","LH5400","Fun, Hoong-Kun; Ooi, Chin Wei; Garudachari, B.; Isloor, Arun M.; Hegde, Gurumurthy","Ethyl 1-(2,4-dichlorobenzyl)-4-oxo-7-trifluoromethyl-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","2","o435","o436","10.1107/S1600536812001249","","","0.71073","MoKα","","0.1083","0.0562","","","0.1457","0.1794","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233554","12.8499","0.0003","7.8836","0.0002","16.5274","0.0004","90","","108.376","0.001","90","","1588.91","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-1-(2,4-Dimethylphenyl)-3-phenyl-2-(1<i>H</i>-1,2,4-triazol-1- yl)prop-2-en-1-one","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","LH5401","Mu, Rui-Zhu","(<i>Z</i>)-1-(2,4-Dimethylphenyl)-3-phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o465","","10.1107/S1600536812001390","","","0.71073","MoKα","","0.0479","0.0405","","","0.1057","0.1127","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233555","11.1692","0.0002","11.5498","0.0002","17.4607","0.0003","90","","109.21","0.001","90","","2127.05","0.07","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C96 H100 N12 O20 -","4","1","LH5402","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Wei, Ang Chee; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","2","o471","o472","10.1107/S1600536812001420","","","0.71073","MoKα","","0.0625","0.0495","","","0.1246","0.1343","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233556","12.4019","0.0008","8.1883","0.0006","20.3945","0.0013","90","","96.68","0.003","90","","2057","0.2","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}nickel(II)","","- C19 H16 Cl4 N2 Ni O2 -","- C19 H16 Cl4 N2 Ni O2 -","- C76 H64 Cl16 N8 Ni4 O8 -","4","1","LH5404","Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}nickel(II)","Acta Crystallographica Section E","2012","68","2","m193","","10.1107/S1600536812002085","","","0.71073","MoKα","","0.1405","0.0647","","","0.1074","0.1266","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233557","8.5972","0.0017","13.783","0.003","13.096","0.003","90","","101.23","0.03","90","","1522.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Ferrocenylmethyl)trimethylammonium perchlorate","","- C14 H20 Cl Fe N O4 -","- C14 H20 Cl Fe N O4 -","- C56 H80 Cl4 Fe4 N4 O16 -","4","1","LH5405","Wang, Ying-Chun","(Ferrocenylmethyl)trimethylammonium perchlorate","Acta Crystallographica Section E","2012","68","2","m197","","10.1107/S1600536812002176","","","0.71073","MoKα","","0.077","0.0567","","","0.1375","0.1484","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233558","7.6817","0.0001","10.4137","0.0002","13.4421","0.0002","90","","112.924","0.001","90","","990.38","0.03","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6,6-Trimethylcyclohex-2-enecarboxylic acid","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","LH5406","Parthasarathy, Rajasekaran; Jenniefer, Samson Jegan; Thomas Muthiah, Packianathan; Sulochana, Nagarajan","2,6,6-Trimethylcyclohex-2-enecarboxylic acid","Acta Crystallographica Section E","2012","68","2","o536","","10.1107/S1600536812002668","","","0.71073","MoKα","","0.0692","0.0485","","","0.1199","0.1339","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233559","15.6546","0.0013","6.205","0.0006","14.6546","0.0013","90","","113.774","0.002","90","","1302.7","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[4-(Trifluoromethyl)benzylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","","- C17 H11 F3 O -","- C17 H11 F3 O -","- C68 H44 F12 O4 -","4","1","LH5408","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Razak, Ibrahim Abdul; Arshad, Suhana","(<i>E</i>)-2-[4-(Trifluoromethyl)benzylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","2","o545","o546","10.1107/S1600536812003157","","","0.71073","MoKα","","0.0602","0.046","","","0.1178","0.1288","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233560","8.3971","0.0017","11.237","0.002","9.979","0.002","90","","104.82","0.03","90","","910.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromo-1<i>H</i>-indol-3-yl)acetonitrile","","- C10 H7 Br N2 -","- C10 H7 Br N2 -","- C40 H28 Br4 N8 -","4","1","LR2041","Mao, Qiu-Xia; Zhang, Chen-Guang; Li, Jin-Feng","2-(4-Bromo-1<i>H</i>-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","2","o451","","10.1107/S1600536811054936","","","0.71073","MoKα","","0.1018","0.0733","","","0.1702","0.188","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233561","24.3527","0.001","7.2374","0.0003","7.0063","0.0003","90","","90","","90","","1234.86","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone","","- C13 H14 N2 O S -","- C13 H14 N2 O S -","- C52 H56 N8 O4 S4 -","4","1","LR2042","Garibov, Emin N.; Gojayeva, Sevinj S.; Allahverdiyev, Mirze A.; Gurbanov, Atash V. Gurbanov; Brito, Iván","1-(6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone","Acta Crystallographica Section E","2012","68","2","o276","","10.1107/S1600536811055309","","","0.71073","MoKα","","0.0545","0.0513","","","0.1365","0.1406","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233562","8.2485","0.0002","33.5624","0.0009","6.1854","0.0002","90","","93.001","0.002","90","","1710.01","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran monohydrate","","- C21 H15 F O5 S -","- C21 H15 F O5 S -","- C84 H60 F4 O20 S4 -","4","1","LR2043","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(4-Fluorophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran monohydrate","Acta Crystallographica Section E","2012","68","2","o375","","10.1107/S160053681105553X","","","0.71073","MoKα","","0.0589","0.0477","","","0.1134","0.1199","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233563","10.1178","0.0007","10.1178","0.0007","8.9971","0.0008","90","","90","","120","","797.64","0.11","293","2","293","2","","","","","","","","4","P 31","P 31","144","","1-Benzyl-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylic acid","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C33 H33 N9 O6 -","3","1","LR2044","Wang, Gai-Gai; Zhao, Hong","1-Benzyl-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylic acid","Acta Crystallographica Section E","2012","68","2","o322","","10.1107/S1600536811056297","","","0.71073","MoKα","","0.0937","0.0531","","","0.1007","0.1145","","","","","","0.977","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233564","12.1907","0.0003","6.8088","0.0002","21.459","0.0005","90","","120.521","0.001","90","","1534.39","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[piperazine-1,4-diium [μ~4~-chlorido-μ~3~-chlorido-tri-μ~2~-chlorido-chloridodicadmate(II)] monohydrate]","","- C5 H16 Cd2 Cl6 N2 O -","- C5 H16 Cd2 Cl6 N2 O -","- C20 H64 Cd8 Cl24 N8 O4 -","4","1","LR2045","Adib, Marwa; El Glaoui, Meher; Pereira da Silva, Pedro Sidonio; Ramos Silva, Manuela; Ben Nasr, Cherif","Poly[piperazine-1,4-diium [μ~4~-chlorido-μ~3~-chlorido-tri-μ~2~-chlorido-chloridodicadmate(II)] monohydrate]","Acta Crystallographica Section E","2012","68","2","m175","","10.1107/S1600536812001626","","","0.71073","MoKα","","0.0199","0.0182","","","0.0442","0.0452","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233565","6.5052","0.0001","16.7418","0.0003","14.4935","0.0002","90","","97.883","0.001","90","","1563.55","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1-(4-methylphenylsulfinyl)naphtho[2,1-<i>b</i>]furan","","- C20 H16 O2 S -","- C20 H16 O2 S -","- C80 H64 O8 S4 -","4","1","LR2049","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-Methyl-1-(4-methylphenylsulfinyl)naphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2012","68","2","o549","","10.1107/S1600536812003121","","","0.71073","MoKα","","0.0475","0.0393","","","0.1013","0.1073","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233566","7.626","0.0003","8.2408","0.0003","10.1674","0.0004","98.462","0.001","106.282","0.001","104.807","0.001","576.25","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Morpholin-4-ium hydrogen L-tartrate monohydrate","","- C8 H17 N O8 -","- C8 H17 N O8 -","- C16 H34 N2 O16 -","2","1","LX2207","Kumar, T. Kishore; Anand, D. Prem; Selvakumar, S.; Pandi, S.; NizamMohideen, M.","Morpholin-4-ium hydrogen <small>L</small>-tartrate monohydrate","Acta Crystallographica Section E","2012","68","2","o299","","10.1107/S1600536811055620","","","0.71073","MoKα","","0.0471","0.0375","","","0.106","0.1129","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233567","9.432","0.0008","19.1552","0.0017","18.4511","0.0016","90","","101.931","0.001","90","","3261.6","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3,5-Dimethyl-1-<i>p</i>-tolyl-4-(<i>p</i>-tolyldiazenyl)- 1<i>H</i>-pyrazole","","- C19 H20 N4 -","- C19 H20 N4 -","- C152 H160 N32 -","8","2","LX2212","Bustos, Carlos; Pérez-Cerda, Marcia; Alvarez-Thon, Luis; Barrales-Salcedo, Enrique; Garland, Maria Teresa","(<i>E</i>)-3,5-Dimethyl-1-<i>p</i>-tolyl-4-(<i>p</i>-tolyldiazenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2012","68","2","o353","o354","10.1107/S1600536812000360","","","0.71073","MoKα","","0.0709","0.0456","","","0.1102","0.1212","","","","","","0.899","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233568","15.1162","0.0017","15.1162","0.0017","10.9448","0.0014","90","","90","","90","","2500.9","0.5","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","1-(Isopropylamino)-3-phenoxypropan-2-ol","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","LX2213","Hou, Xuehui; Li, Zigang; Lv, Quanjian","1-(Isopropylamino)-3-phenoxypropan-2-ol","Acta Crystallographica Section E","2012","68","2","o359","","10.1107/S1600536812000566","","","0.71073","MoKα","","0.1337","0.0643","","","0.1486","0.2211","","","","","","1.155","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233569","4.169","0.0008","9.394","0.0019","15.88","0.003","90","","92.67","0.03","90","","621.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-<i>N</i>,<i>N</i>-dimethylacetamide","","- C5 H8 N2 O -","- C5 H8 N2 O -","- C20 H32 N8 O4 -","4","1","LX2222","Liu, Shan; Zhu, Hong-Jun; Yu, Guo-Quan; Du, Gang; Lv, Liang-Zhong","2-Cyano-<i>N</i>,<i>N</i>-dimethylacetamide","Acta Crystallographica Section E","2012","68","2","o457","","10.1107/S1600536812000748","","","0.71073","MoKα","","0.1074","0.068","","","0.1467","0.1671","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233570","13.862","0.005","8.079","0.002","17.748","0.007","90","","108.372","0.018","90","","1886.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3- <i>c</i>][1,2]benzothiazin-2-yl)-1-(4-methoxyphenyl)ethanone","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C80 H76 N12 O16 S4 -","4","1","LX2223","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Hussain, Tanvir; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-1-(4-methoxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","2","o458","o459","10.1107/S1600536812001286","","","0.71073","MoKα","","0.0899","0.0626","","","0.1161","0.1323","","","","","","1.146","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233571","12.4072","0.0004","9.8528","0.0004","24.7872","0.001","90","","90","","90","","3030.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-{4-[(3-Methylphenyl)sulfamoyl]phenyl}acetamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C120 H128 N16 O24 S8 -","8","1","LX2224","Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Adnan, Ahmad; Türktekin, Sevim; Akkurt, Mehmet","<i>N</i>-{4-[(3-Methylphenyl)sulfamoyl]phenyl}acetamide","Acta Crystallographica Section E","2012","68","2","o437","","10.1107/S1600536812001274","","","0.71073","MoKα","","0.1304","0.0591","","","0.12","0.1459","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233572","16.7869","0.0004","15.1506","0.0006","20.6617","0.0006","90","","90","","90","","5254.9","0.3","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","loperamide monohydrate","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-<i>N</i>,<i>N</i>-dimethyl- 2,2-diphenylbutanamide monohydrate","","- C29 H35 Cl N2 O3 -","- C29 H35 Cl N2 O3 -","- C232 H280 Cl8 N16 O24 -","8","1","LX2225","Jasinski, Jerry P.; Guild, Curtis J.; Dayananda, A. S.; Yathirajan, H. S.; Ramesha, A. R.","Redetermination of loperamide monohydrate","Acta Crystallographica Section E","2012","68","2","o539","o540","10.1107/S1600536812003091","","","0.71073","MoKα","","0.0548","0.0439","","","0.1008","0.1069","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233573","7.7919","0.0004","11.9518","0.0006","21.1315","0.001","90","","90","","90","","1967.92","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Oxymatrinium tetrachloridoferrate(III)","","- C15 H25 Cl4 Fe N2 O2 -","- C15 H25 Cl4 Fe N2 O2 -","- C60 H100 Cl16 Fe4 N8 O8 -","4","1","MW2043","He, Xiong; Wei, Xing Chuan; Tian, Yu Chang; Lai, Jia Xiong","Oxymatrinium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","2","m137","","10.1107/S1600536812000281","","","0.71073","MoKα","","0.0317","0.026","","","0.0591","0.0614","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233574","6.2988","0.0013","7.9684","0.0016","16.009","0.003","99.57","0.03","96.4","0.03","108.31","0.03","740.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-{6-[1-(2,6-Dimethylphenylimino)ethyl]pyridin-2-yl}ethanone","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C34 H36 N4 O2 -","2","1","MW2044","Su, Qing; Zhao, Qing","(<i>E</i>)-1-{6-[1-(2,6-Dimethylphenylimino)ethyl]pyridin-2-yl}ethanone","Acta Crystallographica Section E","2012","68","2","o360","","10.1107/S1600536811056327","","","0.71073","MoKα","","0.0659","0.0479","","","0.1324","0.1432","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233575","7.5784","0.0015","8.0972","0.0016","14.661","0.003","92.42","0.03","97.88","0.03","98.17","0.03","880.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-ethyl-1<i>H</i>-imidazol-3-ium) tetrachloridomercurate(II)","","- C10 H18 Cl4 Hg N4 -","- C10 H18 Cl4 Hg N4 -","- C20 H36 Cl8 Hg2 N8 -","2","1","NC2260","Zhu, Run-Qiang","Bis(2-ethyl-1<i>H</i>-imidazol-3-ium) tetrachloridomercurate(II)","Acta Crystallographica Section E","2012","68","2","m148","","10.1107/S1600536811055371","","","0.71073","MoKα","","0.0465","0.0361","","","0.0607","0.0639","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233576","6.0888","0.0005","10.9415","0.0009","14.816","0.0011","90","","110.846","0.006","90","","922.44","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(H2DAT 2 ClO4)","3,12-Diaza-6,9-diazonia-2,13-dioxotetradecane bis(perchlorate)","","- C10 H24 Cl2 N4 O10 -","- C10 H24 Cl2 N4 O10 -","- C20 H48 Cl4 N8 O20 -","2","0.5","NC2261","Söhnel, Tilo; Wichmann, Kathrin A.; Doert, Thomas; Cooper, Garth J. S.","3,12-Diaza-6,9-diazonia-2,13-dioxotetradecane bis(perchlorate)","Acta Crystallographica Section E","2012","68","2","o333","o334","10.1107/S1600536811055516","","","0.71073","MoKα","","0.0543","0.0389","","","0.0825","0.0865","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233577","9.341","0.006","11.011","0.005","13.605","0.008","87.8","0.04","88.31","0.03","77.3","0.05","1363.8","1.4","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","Bis{[2-(dimethylamino)phenyl](trimethylsilyl)methyl}cadmium","","- C24 H40 Cd N2 Si2 -","- C24 H40 Cd N2 Si2 -","- C48 H80 Cd2 N4 Si4 -","2","1","NC2262","Li, Min","Bis{[2-(dimethylamino)phenyl](trimethylsilyl)methyl}cadmium","Acta Crystallographica Section E","2012","68","2","m166","","10.1107/S1600536812001079","","","0.71073","MoKα","","0.0492","0.0407","","","0.0828","0.0864","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233578","10.264","0.0004","21.5488","0.0007","8.0061","0.0003","90","","108.587","0.004","90","","1678.4","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Morpholin-4-yl)[2-(morpholin-4-yl)-3,5-dinitrophenyl]methanone","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C60 H72 N16 O28 -","4","1","NC2263","Gao, Chao; Xiong, Ying; Xia, Yong; Yu, Luo-Ting","(Morpholin-4-yl)[2-(morpholin-4-yl)-3,5-dinitrophenyl]methanone","Acta Crystallographica Section E","2012","68","2","o376","","10.1107/S1600536812000426","","","0.7107","MoKα","","0.0683","0.0444","","","0.0958","0.1095","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233579","10.473","0.0004","12.2394","0.0005","13.4379","0.0005","67.542","0.002","82.511","0.002","80.294","0.002","1564.98","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1<i>H</i>,5<i>H</i>- pyrrolo[3,4-<i>c</i>]pyrrole-1,3-dione","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C76 H44 F12 N8 O8 -","4","2","NK2128","Roberts, Sue A.; Martinez-Ariza, Guillermo; Dietrich, Justin; Hulme, Christopher","2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrrole-1,3-dione","Acta Crystallographica Section E","2012","68","2","o496","o497","10.1107/S1600536812001675","","","0.71073","MoKα","","0.0414","0.0358","","","0.0851","0.089","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233580","5.105","0.005","6.876","0.005","10.549","0.005","97.735","0.005","93.214","0.005","90.512","0.005","366.3","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(4-chlorobutanamide)","","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","1","0.5","NK2130","Cuzan, Olesea; Shova, Sergiu; Turta, Constantin; Mangalagiu, Ionel I.","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(4-chlorobutanamide)","Acta Crystallographica Section E","2012","68","2","o463","","10.1107/S1600536812001341","","","0.71073","MoKα","","0.0503","0.0375","","","0.087","0.0918","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233581","9.9635","0.0007","19.0185","0.0014","16.0155","0.0009","90","","122.751","0.003","90","","2552.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2- yl)ethanamine-κ^2^<i>P</i>,<i>N</i>}platinum(II) dichloromethane hemisolvate","","- C25.5 H23 Cl3 N P Pt S -","- C25.5 H23 Cl3 N P Pt S -","- C102 H92 Cl12 N4 P4 Pt4 S4 -","4","1","NR2014","Chiririwa, Haleden; Muller, Alfred","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2-yl)ethanamine-κ^2^<i>P</i>,<i>N</i>}platinum(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","2","m116","m117","10.1107/S1600536811056108","","","0.71073","MoKα","","0.0451","0.0282","","","","0.0578","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233582","12.7113","0.0009","16.9355","0.0013","18.354","0.0011","90","","94.657","0.006","90","","3938.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)terbate(III)","","- C28 H24 F24 N O8 Tb -","- C28 H24 F24 N O8 Tb -","- C112 H96 F96 N4 O32 Tb4 -","4","1","PK2378","Van Deun, Rik; Van Der Voort, Pascal; Van Driessche, Isabel; Van Hecke, Kristof","Tetraethylammonium tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)terbate(III)","Acta Crystallographica Section E","2012","68","2","m111","m112","10.1107/S1600536811055437","","","0.71073","MoKα","","0.0897","0.0535","","","0.1052","0.1232","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233583","11.157","0.002","5.3216","0.001","13.689","0.003","90","","90","","90","","812.8","0.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(Pyridin-2-yl)-1,3-dithiol-2-one","","- C8 H5 N O S2 -","- C8 H5 N O S2 -","- C32 H20 N4 O4 S8 -","4","1","PK2379","Zhou, Guoquan; Chen, Xinzhi","4-(Pyridin-2-yl)-1,3-dithiol-2-one","Acta Crystallographica Section E","2012","68","2","o432","","10.1107/S1600536812001407","","","0.71075","MoKα","","0.0339","0.0315","","","0.0792","0.0807","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233584","18.166","0.004","9.801","0.002","13.915","0.003","90","","93.36","0.03","90","","2473.2","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[4-methylmorpholin-4-ium [[dichloridobismuth(III)]-di-μ-chlorido]]","","- C5 H12 Bi Cl4 N O -","- C5 H12 Bi Cl4 N O -","- C40 H96 Bi8 Cl32 N8 O8 -","8","1","PK2380","Wang, Ying-Chun","<i>catena</i>-Poly[4-methylmorpholin-4-ium [[dichloridobismuth(III)]-di-μ-chlorido]]","Acta Crystallographica Section E","2012","68","2","m181","","10.1107/S1600536812001717","","","0.71073","MoKα","","0.045","0.0367","","","0.0814","0.0883","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233585","12.0911","0.0003","19.4713","0.0003","6.4482","0.0001","90","","90","","90","","1518.1","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Bromophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C68 H60 Br4 O8 S4 -","4","1","PK2381","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o456","","10.1107/S1600536812001547","","","0.71073","MoKα","","0.039","0.0317","","","0.0748","0.0784","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233586","24.38","0.006","11.141","0.004","14.996","0.005","90","","120.76","0.02","90","","3500","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4-Dimethyl-2-(2-oxo-2-phenylethyl)-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazine-5,5-dione","","- C19 H17 N3 O3 S -","- C19 H17 N3 O3 S -","- C152 H136 N24 O24 S8 -","8","1","PK2383","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Bukhari, Iftikhar Hussain; Parvez, Masood","3,4-Dimethyl-2-(2-oxo-2-phenylethyl)-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazine-5,5-dione","Acta Crystallographica Section E","2012","68","2","o502","","10.1107/S1600536812002188","","","0.71073","MoKα","","0.1084","0.0693","","","0.127","0.1463","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233587","10.5704","0.0002","20.0667","0.0005","11.3741","0.0002","90","","110.666","0.001","90","","2257.35","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-(2-Chlorophenyl)-7-ethyl-2-oxo-2,3-dihydro-1<i>H</i>-thieno[2,3-<i>e</i>][1,4]diazepin-4-ium 2,4,6-trinitrophenolate","","- C21 H16 Cl N5 O8 S -","- C21 H16 Cl N5 O8 S -","- C84 H64 Cl4 N20 O32 S4 -","4","1","PK2384","Betz, Richard; Gerber, Thomas; Hosten, Eric; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, A. R.","(<i>E</i>)-5-(2-Chlorophenyl)-7-ethyl-2-oxo-2,3-dihydro-1<i>H</i>-thieno[2,3-<i>e</i>][1,4]diazepin-4-ium 2,4,6-trinitrophenolate","Acta Crystallographica Section E","2012","68","2","o516","o517","10.1107/S1600536812002607","","","0.71073","MoKα","","0.0352","0.0309","","","0.0771","0.0813","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233588","7.213","0.005","11.786","0.008","13.197","0.008","72.3","0.013","79.1","0.03","89.89","0.03","1047.7","1.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","Trichlorido{2-dimethoxymethyl-4-methyl-6-[(quinolin-8- yl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}tin(IV)","","- C20 H19 Cl3 N2 O3 Sn -","- C20 H19 Cl3 N2 O3 Sn -","- C40 H38 Cl6 N4 O6 Sn2 -","2","1","PK2385","Kawamoto, Keisuke; Shibahara, Takashi","Trichlorido{2-dimethoxymethyl-4-methyl-6-[(quinolin-8-yl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}tin(IV)","Acta Crystallographica Section E","2012","68","2","m208","","10.1107/S1600536812002528","","","0.7107","MoKα","","","0.0415","","","","0.101","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233589","11.4723","0.0004","8.9548","0.0002","15.0543","0.0005","90","","96.99","0.002","90","","1535.07","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl (1<i>R</i>,1'<i>S</i>,2'<i>S</i>,7a'<i>R</i>)-2-oxo- 1'-[(3a<i>R</i>,5<i>R</i>,5a<i>S</i>,8a<i>S</i>,8b<i>R</i>)-2,2,7,7- tetramethyltetrahydro-3a<i>H</i>- bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl]-1',2',5',6',7',7a'- hexahydro-2<i>H</i>-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate","","- C32 H37 N O8 -","- C32 H37 N O8 -","- C64 H74 N2 O16 -","2","1","PV2491","Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.","Ethyl (1<i>R</i>,1'<i>S</i>,2'<i>S</i>,7a'<i>R</i>)-2-oxo-1'-[(3a<i>R</i>,5<i>R</i>,5a<i>S</i>,8a<i>S</i>,8b<i>R</i>)-2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl]-1',2',5',6',7',7a'-hexahydro-2<i>H</i>-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate","Acta Crystallographica Section E","2012","68","2","o382","o383","10.1107/S1600536811055760","","","0.71073","MoKα","","0.0741","0.0455","","","0.1091","0.1244","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233590","8.4146","0.0004","12.0699","0.0005","14.0185","0.0006","71.799","0.002","78.753","0.002","86.488","0.002","1326.56","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-carboxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>- thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate‒<i>N</i>,<i>N</i>- dimethylformamide (1/1)","","- C27 H27 N3 O6 S -","- C27 H27 N3 O6 S -","- C54 H54 N6 O12 S2 -","2","1","PV2495","Banu, Noor Afshan; Bheema Raju, V.","Ethyl 2-(4-carboxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate‒<i>N</i>,<i>N</i>-dimethylformamide (1/1)","Acta Crystallographica Section E","2012","68","2","o441","","10.1107/S1600536812000050","","","0.71073","MoKα","","0.099","0.0575","","","0.1607","0.1781","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233591","8.989","0.0016","9.8432","0.0019","22.084","0.004","90","","90","","90","","1954","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,5<i>S</i>,6<i>R</i>)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3- azatricyclo[7.4.0.0^2,6^]trideca-1(13),9,11-triene-6-carbonitrile","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","PV2496","Swaminathan, K.; Sethusankar, K.; Srinivasan, J.; Bakthadoss, M.","(2<i>S</i>,5<i>S</i>,6<i>R</i>)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3-azatricyclo[7.4.0.0^2,6^]trideca-1(13),9,11-triene-6-carbonitrile","Acta Crystallographica Section E","2012","68","2","o283","o284","10.1107/S1600536811055413","","","0.71073","MoKα","","0.1502","0.0813","","","0.2081","0.2521","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233592","8.3196","0.0002","18.3524","0.0005","18.6285","0.0005","83.577","0.002","87.539","0.002","88.237","0.002","2822.86","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","dapsone-1,3,5-trinitrobenzene 1:2 adduct","4-(4-Aminophenylsulfonyl)aniline‒1,3,5-trinitrobenzene (1/2)","","- C24 H18 N8 O14 S -","- C24 H18 N8 O14 S -","- C96 H72 N32 O56 S4 -","4","2","PV2497","Smith, Graham; Wermuth, Urs D.","4-(4-Aminophenylsulfonyl)aniline‒1,3,5-trinitrobenzene (1/2)","Acta Crystallographica Section E","2012","68","2","o494","","10.1107/S1600536812001742","","","0.71073","MoKα","","0.0893","0.0418","","","0.0698","0.0768","","","","","","0.936","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233593","7.035","0.006","7.672","0.006","17.272","0.014","83.477","0.008","84.994","0.008","66.697","0.007","849.7","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>E</i>)-(3-Chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenyl acetate","","- C17 H15 Cl N2 O5 -","- C17 H15 Cl N2 O5 -","- C34 H30 Cl2 N4 O10 -","2","1","PV2498","Su, Deng-Cheng; Wang, Feng-Ting; Mao, Cheng-Gong; Qian, Shao-Song","4-[(<i>E</i>)-(3-Chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenyl acetate","Acta Crystallographica Section E","2012","68","2","o303","","10.1107/S1600536811055590","","","0.71073","MoKα","","0.0687","0.0445","","","0.1037","0.1218","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233594","5.414","0.0011","14.88","0.003","21.304","0.004","90","","90","","90","","1716.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-(trifluoromethyl)aniline","","- C8 H8 F3 N O -","- C8 H8 F3 N O -","- C64 H64 F24 N8 O8 -","8","1","PV2499","He, Jian-Ling","4-Methoxy-3-(trifluoromethyl)aniline","Acta Crystallographica Section E","2012","68","2","o377","","10.1107/S160053681200030X","","","0.71073","MoKα","","0.0727","0.059","","","0.1517","0.1624","","","","","","1.126","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233595","30.004","0.004","6.6083","0.0009","15.123","0.002","90","","99.652","0.004","90","","2956.1","0.7","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","17-(Pyrimidin-2-yl)-8,16-dioxa-17- azatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca-2,4,6,10,12,14-hexaene","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C144 H104 N24 O16 -","8","1","PV2501","Aslam, M.; Anis, I.; Afza, N.; Ibrahim, M.; Yousuf, S.","17-(Pyrimidin-2-yl)-8,16-dioxa-17-azatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca-2,4,6,10,12,14-hexaene","Acta Crystallographica Section E","2012","68","2","o440","","10.1107/S1600536812000931","","","0.71073","MoKα","","0.0611","0.0409","","","0.0865","0.0966","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233596","6.79","0.0002","8.1288","0.0003","14.6813","0.0005","76.763","0.002","84.145","0.002","73.241","0.002","754.73","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 Cl O2 S -","- C17 H15 Cl O2 S -","- C34 H30 Cl2 O4 S2 -","2","1","PV2502","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o374","","10.1107/S160053681200027X","","","0.71073","MoKα","","0.0432","0.0368","","","0.101","0.1051","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233597","7.471","0.005","14.916","0.005","15.338","0.005","90","","90","","90","","1709.2","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methylpyridine‒urea (1/1)","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C56 H88 N24 O8 -","8","1","PV2503","Ashurov, Jamshid; Ibragimov, Bakhtiyar; Talipov, Samat","2-Methylpyridine‒urea (1/1)","Acta Crystallographica Section E","2012","68","2","o504","","10.1107/S1600536812002164","","","1.54184","CuKα","","0.0901","0.0557","","","0.1447","0.1665","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233598","5.4055","0.0002","11.2731","0.0003","11.6441","0.0003","72.07","0.001","83.088","0.001","77.76","0.001","658.59","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)- 4,5-dimethoxycyclopent-4-ene-1,3-dione","","- C16 H14 O5 -","- C16 H14 O5 -","- C32 H28 O10 -","2","1","PV2504","Hosseinzadeh, Masoumeh; Mukhtar, Mat Ropi; Khalilzadeh, Mohammad Ali; Khaledi, Hamid","A triclinic polymorph of (<i>E</i>)-2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-4,5-dimethoxycyclopent-4-ene-1,3-dione","Acta Crystallographica Section E","2012","68","2","o453","","10.1107/S1600536812001043","","","0.71073","MoKα","","0.0406","0.0356","","","0.0936","0.0977","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233599","7.9079","0.0004","14.1253","0.0006","15.9555","0.0007","90","","90","","90","","1782.25","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Ethoxyphenyl)formamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","PV2505","Rofouei, Mohammad Kazem; Attar Gharamaleki, Jafar; Younesian, Fereshteh; Bruno, Giuseppe; Rudbari, Hadi Amiri","<i>N</i>-(2-Ethoxyphenyl)formamide","Acta Crystallographica Section E","2012","68","2","o505","","10.1107/S160053681200205X","","","0.71073","MoKα","","0.0791","0.0433","","","0.1024","0.1203","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233600","6.1034","0.0001","10.2278","0.0002","12.6731","0.0002","84.586","0.001","79.419","0.001","85.73","0.001","772.87","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C34 H30 Br2 O4 S2 -","2","1","PV2507","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o482","","10.1107/S1600536812001523","","","0.71073","MoKα","","0.0388","0.0324","","","0.0833","0.0857","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233601","7.2993","0.0014","13.023","0.003","7.4445","0.0016","90","","91.217","0.004","90","","707.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-methyl-4-nitrophenol","3-Methyl-4-nitrophenol","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","PV2508","Dong, Su-Lan; Cheng, Xiaochun","3-Methyl-4-nitrophenol","Acta Crystallographica Section E","2012","68","2","o518","","10.1107/S160053681200253X","","","0.71073","MoKα","","0.0512","0.0433","","","0.1414","0.1475","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233602","8.064","0.002","10.775","0.003","10.462","0.004","90","","109.7","0.02","90","","855.8","0.5","296","1","296","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(3<i>R</i>,4<i>S</i>,5<i>S</i>,8<i>S</i>,10<i>R</i>,13<i>R</i>)- 3-Hydroxykaura-9(11),16-dien-18-oic acid","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","QK2025","Beattie, Karren D.; Bhadbhade, Mohan M.; Craig, Donald C.; Leach, David N.","(3<i>R</i>,4<i>S</i>,5<i>S</i>,8<i>S</i>,10<i>R</i>,13<i>R</i>)-3-Hydroxykaura-9(11),16-dien-18-oic acid","Acta Crystallographica Section E","2012","68","2","o526","o527","10.1107/S1600536812002206","","","0.71073","MoKα","","0.0689","0.0444","","","0.108","0.1119","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233603","14.886","0.01","7.678","0.005","19.801","0.013","90","","104.944","0.009","90","","2187","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(2,4-dinitrophenyl)-4-nitropyrazole","3,5-Bis(2,4-dinitrophenyl)-4-nitro-1<i>H</i>-pyrazole acetone monosolvate","","- C18 H13 N7 O11 -","- C18 H13 N7 O11 -","- C72 H52 N28 O44 -","4","1","QK2027","Mathivathanan, Logesh","3,5-Bis(2,4-dinitrophenyl)-4-nitro-1<i>H</i>-pyrazole acetone monosolvate","Acta Crystallographica Section E","2012","68","2","o411","","10.1107/S1600536812001146","","","0.71073","MoKα","","0.1195","0.0639","","","0.1535","0.2023","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233604","13.992","0.004","7.219","0.002","30.232","0.009","90","","90","","90","","3053.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-2-methoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol monohydrate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C120 H128 Br8 N8 O32 -","8","1","QM2045","Mao, Cheng-Gong; Wang, Shuang-Shuang; Su, Deng-Cheng; Qian, Shao-Song","5-Bromo-2-methoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol monohydrate","Acta Crystallographica Section E","2012","68","2","o249","","10.1107/S1600536811054742","","","0.71073","MoKα","","0.085","0.0451","","","0.0948","0.1132","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233605","9.0746","0.0002","7.0262","0.0002","22.6919","0.0006","90","","93.185","0.003","90","","1444.6","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-3-carboxybenzoato- κ^5^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^3^)(quinolin- 8-olato-κ^2^<i>N</i>,<i>O</i>)lead(II)]","","- C17 H11 N O5 Pb -","- C17 H11 N O5 Pb -","- C68 H44 N4 O20 Pb4 -","4","1","QM2046","Ghaemi, Akbar; Dadkhah, Zohreh; Ng, Seik Weng; Tiekink, Edward R. T.","Poly[(μ~4~-3-carboxybenzoato-κ^5^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^3^)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)lead(II)]","Acta Crystallographica Section E","2012","68","2","m97","m98","10.1107/S160053681105495X","","","0.71073","MoKα","","0.0258","0.0211","","","0.0468","0.0486","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233606","7.4305","0.0017","25.596","0.002","7.7926","0.0018","90","","113.505","0.002","90","","1359.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(2-Chlorobenzylidene)-2-methylbenzohydrazide","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","QM2047","Zhang, Wei-Guang","<i>N</i>'-(2-Chlorobenzylidene)-2-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","2","o357","","10.1107/S1600536812000463","","","0.71073","MoKα","","0.078","0.0584","","","0.1306","0.1409","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233607","9.1091","0.0007","11.5337","0.0008","11.8745","0.0009","63.23","0.007","80.596","0.006","79.97","0.006","1091.69","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","3,3-Dimethyl-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-1,2-dione","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","QM2048","Jordon, Jason A.; Badenock, Jeanese C.; Gribble, Gordon W.; Jasinski, Jerry P.; Golen, James A.","3,3-Dimethyl-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-1,2-dione (bruceolline E)","Acta Crystallographica Section E","2012","68","2","o364","o365","10.1107/S1600536812000517","","","0.71073","MoKα","","0.0639","0.0533","","","0.1472","0.1573","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233608","7.0214","0.0002","10.5094","0.0003","10.8854","0.0003","97.636","0.001","95.953","0.001","99.642","0.001","778.32","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)- 3-<i>o</i>-tolylacrylonitrile","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","QM2049","Govindan, E.; Srinivasan, J.; Bakthadoss, M.; SubbiahPandi, A.","(<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)-3-<i>o</i>-tolylacrylonitrile","Acta Crystallographica Section E","2012","68","2","o484","","10.1107/S1600536812001481","","","0.71073","MoKα","","0.0746","0.0496","","","0.1438","0.163","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233609","9.0231","0.0003","7.4338","0.0002","11.0392","0.0004","90","","92.114","0.001","90","","739.96","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-nitrobenzoic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","QM2050","Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Quah, Ching Kheng; Fun, Hoong-Kun","2-Amino-3-nitrobenzoic acid","Acta Crystallographica Section E","2012","68","2","o488","","10.1107/S1600536812002036","","","0.71073","MoKα","","0.0517","0.042","","","0.113","0.1205","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233610","24.934","0.018","8.439","0.003","14.143","0.008","90","","124.68","0.05","90","","2447","3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Nonaaquapraseodymium triiodide‒thiourea (1/2)","","- C2 H26 I3 N4 O9 Pr S2 -","- C2 H26 I3 N4 O9 Pr S2 -","- C8 H104 I12 N16 O36 Pr4 S8 -","4","0.5","RK2319","Antonenko, Taisia A.; Alikberova, Lyudmila Yu.; Albov, Dmitry V.","Nonaaquapraseodymium triiodide‒thiourea (1/2)","Acta Crystallographica Section E","2012","68","2","m110","","10.1107/S1600536811054663","","","0.56085","Agkα","","0.0555","0.0404","","","0.0896","0.0998","","","","","","0.993","","","","has coordinates,has Fobs","194525","2020-10-21","18:00:00",""
"2233611","14.0061","0.0006","14.1511","0.0006","10.4179","0.0004","90","","90","","90","","2064.85","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3'-[(4-Nitrophenyl)methylene]bis(4-hydroxy-2<i>H</i>-chromen-2-one)","","- C25 H15 N O8 -","- C25 H15 N O8 -","- C100 H60 N4 O32 -","4","1","RK2323","Ravikumar, N.; Gopikrishna, G.; Solomon, K. Anand","3,3'-[(4-Nitrophenyl)methylene]bis(4-hydroxy-2<i>H</i>-chromen-2-one)","Acta Crystallographica Section E","2012","68","2","o265","","10.1107/S1600536811054778","","","0.71073","MoKα","","0.0398","0.0326","","","0.0843","0.0892","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233612","10.2641","0.0003","17.316","0.0006","16.6473","0.0005","90","","104.706","0.003","90","","2861.85","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-4-(2-oxidobenzylidene)thiosemicarbazidato- κ^4^<i>S</i>,<i>N</i>^1^,<i>O</i>:<i>O</i>]bis[(pyridine-κ<i>N</i>)zinc]","","- C26 H24 N8 O2 S2 Zn2 -","- C26 H24 N8 O2 S2 Zn2 -","- C104 H96 N32 O8 S8 Zn8 -","4","1","RK2324","Takjoo, Reza; Dutkiewicz, Grzegorz; Ahmadi, Mehdi; Kubicki, Maciej","Bis[μ-4-(2-oxidobenzylidene)thiosemicarbazidato-κ^4^<i>S</i>,<i>N</i>^1^,<i>O</i>:<i>O</i>]bis[(pyridine-κ<i>N</i>)zinc]","Acta Crystallographica Section E","2012","68","2","m106","m107","10.1107/S160053681105522X","","","1.54178","CuKα","","0.0361","0.0305","","","0.0777","0.082","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233613","14.6018","0.0005","10.8574","0.0003","17.463","0.0006","90","","126.438","0.002","90","","2227.29","0.14","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","6-Chloro-<i>N</i>-(2-methoxyphenyl)pyridazin-3-amine","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C88 H80 Cl8 N24 O8 -","8","2","RK2330","Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Muhammad Naeem; Khan, Misbahul Ain; Athar, Muhammad Makshoof","6-Chloro-<i>N</i>-(2-methoxyphenyl)pyridazin-3-amine","Acta Crystallographica Section E","2012","68","2","o438","o439","10.1107/S1600536812001535","","","0.71073","MoKα","","0.0698","0.0385","","","0.0931","0.11","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233614","8.0598","0.0019","10.873","0.003","14.541","0.003","76.01","0.004","81.019","0.004","84.447","0.004","1219","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis(tryptanthrin-κ<i>N</i>)silver(I)","Bis(indolo[2,1-<i>b</i>]quinazoline-6,12-dione-κ<i>N</i>)(nitrato- κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C30 H16 Ag N5 O7 -","- C30 H16 Ag N5 O7 -","- C60 H32 Ag2 N10 O14 -","2","1","RN2096","Wu, Jie; Huang, Chao; Li, Guo-Qiang; Tian, Hai-Yan; Jiang, Ren-Wang","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis(tryptanthrin-κ<i>N</i>)silver(I)","Acta Crystallographica Section E","2012","68","2","m185","m186","10.1107/S1600536812001821","","","0.71074","MoKα","","0.0678","0.0428","","","0.0965","0.1083","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233615","5.2182","0.0011","6.7008","0.0012","10.3167","0.0005","100.09","0.02","100.341","0.015","111.891","0.015","317.49","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Lithium europium(III) molybdate(VI)","","- Eu1.5 Li3.5 Mo4 O16 -","- Eu1.5 Li3.5 Mo4 O16 -","- Eu1.5 Li3.5 Mo4 O16 -","1","0.5","RU2018","Zhao, Dan; Zhu, Jing; Liang, Peng; Chang, Huan; He, Rong","Lithium europium(III) molybdate(VI), Li~3.5~Eu~1.5~(MoO~4~)~4~","Acta Crystallographica Section E","2012","68","2","i14","","10.1107/S1600536812000268","","","0.71073","MoKα","","0.0339","0.0286","","","0.0755","0.0787","","","","","","1.102","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233616","9.3413","0.0007","13.7402","0.0011","19.6296","0.0014","90","","90","","90","","2519.5","0.3","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4,5-Diphenyl-2-<i>p</i>-tolyl-1<i>H</i>-imidazol-1-yl)-3-phenylpropan-1-ol","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C124 H112 N8 O4 -","4","1","RZ2683","Xiao, Yongmei; Yang, Liangru; He, Kun; Yuan, Jinwei; Mao, Pu","2-(4,5-Diphenyl-2-<i>p</i>-tolyl-1<i>H</i>-imidazol-1-yl)-3-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","2","o264","","10.1107/S1600536811054766","","","1.5418","CuKα","","0.042","0.0367","","","0.0934","0.0978","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233617","12.063","0.002","6.9282","0.0014","15.118","0.003","90","","91.53","0.003","90","","1263","0.4","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(4-cyano-1-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)","","- C22 H14 Cu N8 S4 -","- C22 H14 Cu N8 S4 -","- C44 H28 Cu2 N16 S8 -","2","0.5","RZ2689","Wang, Na; Wang, Jin-Guo; Min, An-Jie; Fu, Yao-Wen","Bis(4-cyano-1-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)","Acta Crystallographica Section E","2012","68","2","m164","","10.1107/S1600536812001377","","","0.71073","MoKα","","0.0528","0.041","","","0.0986","0.101","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233618","17.7353","0.0016","15.2025","0.0014","17.3003","0.0016","90","","91.049","0.002","90","","4663.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethyl 2,6-dihydroxy-4-(3-nitrophenyl)- 2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate","","- C19 H20 F6 N2 O8 -","- C19 H20 F6 N2 O8 -","- C152 H160 F48 N16 O64 -","8","1","RZ2690","Fun, Hoong-Kun; Arshad, Suhana; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","Diethyl 2,6-dihydroxy-4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o400","o401","10.1107/S1600536811055346","","","0.71073","MoKα","","0.0804","0.0443","","","0.1064","0.1247","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233619","12.6594","0.0003","9.6754","0.0002","13.7923","0.0004","90","","99.241","0.002","90","","1667.42","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methoxybenzamidinium 2,6-dimethoxybenzoate","[amino(4-methoxyphenyl)methylidene]azanium 2,6-dimethoxybenzoate","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C68 H80 N8 O20 -","4","1","RZ2691","Portalone, Gustavo","4-Methoxybenzamidinium 2,6-dimethoxybenzoate","Acta Crystallographica Section E","2012","68","2","o268","o269","10.1107/S160053681105519X","","","0.71069","MoKα","","0.0655","0.0598","","","0.1279","0.1308","","","","","","1.174","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233620","14.8168","0.0014","10.6687","0.0009","7.3518","0.0007","90","","90","","90","","1162.14","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-1,2,3-benzotriazol-1-ido- κ^2^<i>N</i>^1^:<i>N</i>^3^]","","- C9 H13 N3 Sn -","- C9 H13 N3 Sn -","- C36 H52 N12 Sn4 -","4","1","RZ2693","Li, Yuanyuan; Liu, Jianmin; Li, Dacheng","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-1,2,3-benzotriazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2012","68","2","m169","","10.1107/S1600536811055176","","","0.71073","MoKα","","0.0534","0.0295","","","0.0876","0.1368","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233621","7.9288","0.001","15.881","0.002","30.069","0.004","90","","90","","90","","3786.2","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Aminopyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III)","","- C19 H13 Fe N4 O8 -","- C19 H13 Fe N4 O8 -","- C152 H104 Fe8 N32 O64 -","8","1","RZ2696","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Mague, Joel T.","2-Aminopyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III)","Acta Crystallographica Section E","2012","68","2","m174","","10.1107/S1600536812001493","","","0.71073","MoKα","","0.0405","0.0333","","","0.0815","0.086","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233622","22.615","0.005","8.8423","0.0018","21.077","0.004","90","","113.41","0.03","90","","3867.8","1.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Propane-1,3-diaminium bis(tetrafluoroborate)‒18-crown-6 (1/2)","","- C27 H60 B2 F8 N2 O12 -","- C27 H60 B2 F8 N2 O12 -","- C108 H240 B8 F32 N8 O48 -","4","0.5","RZ2697","Zhao, Min-Min","Propane-1,3-diaminium bis(tetrafluoroborate)‒18-crown-6 (1/2)","Acta Crystallographica Section E","2012","68","2","o444","","10.1107/S1600536812001572","","","0.71073","MoKα","","0.1235","0.0768","","","0.1894","0.2124","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233623","12.8293","0.0008","13.3467","0.0008","22.0754","0.0011","83.897","0.004","81.585","0.005","62.213","0.006","3304.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-benzyl-3-[3-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-4,6- dioxo-5-phenyloctahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","","- C37 H31 Cl N4 O4 -","- C37 H31 Cl N4 O4 -","- C148 H124 Cl4 N16 O16 -","4","2","SU2345","Kamatchi, P.; Jagadeesan, G.; Pramesh, M.; Perumal, P. T.; Aravindhan, S.","Ethyl 2-benzyl-3-[3-(4-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","Acta Crystallographica Section E","2012","68","2","o552","","10.1107/S1600536812002450","","","0.71073","MoKα","","0.1283","0.0673","","","0.2008","0.2251","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233624","12.8412","0.0002","12.8412","0.0002","27.2647","0.0007","90","","90","","90","","4495.85","0.15","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Poly[[aqua-μ~6~-benzene-1,2,3-tricarboxylato-μ~3~-hydroxido-dizinc] hemihydrate]","","- C9 H7 O8.5 Zn2 -","- C9 H7 O8.5 Zn2 -","- C144 H112 O136 Zn32 -","16","1","SU2346","Ma, Chao-Hong; Liu, Qiang; Wang, Xiu-Yan; Dong, Xian-Wu; Li, Yu-Jie","Poly[[aqua-μ~6~-benzene-1,2,3-tricarboxylato-μ~3~-hydroxido-dizinc] hemihydrate]","Acta Crystallographica Section E","2012","68","2","m103","m104","10.1107/S1600536811055358","","","0.71073","MoKα","","0.0591","0.0348","","","0.0847","0.0895","","","","","","0.937","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233625","10.7108","0.0014","7.2772","0.0007","11.469","0.0014","90","","114.366","0.014","90","","814.32","0.19","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>E</i>,6<i>E</i>)-2,6-Bis(4-methylbenzylidene)cyclohex-3-en-1-one","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","SU2352","Abaee, M. Saeed; Massa, Werner; Mojtahedi, Mohammad M.; Mesbah, A. Wahid","(2<i>E</i>,6<i>E</i>)-2,6-Bis(4-methylbenzylidene)cyclohex-3-en-1-one","Acta Crystallographica Section E","2012","68","2","o355","","10.1107/S1600536811055632","","","0.71073","MoKα","","0.0565","0.0353","","","0.0665","0.0707","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233626","11.2332","0.0018","13.3778","0.0018","8.977","0.0016","90","","90.408","0.002","90","","1349","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(2-Chlorobenzylidene)-4-nitrobenzohydrazide","","- C14 H10 Cl N3 O3 -","- C14 H10 Cl N3 O3 -","- C56 H40 Cl4 N12 O12 -","4","1","SU2353","Tang, Chun-Bao","<i>N</i>'-(2-Chlorobenzylidene)-4-nitrobenzohydrazide","Acta Crystallographica Section E","2012","68","2","o335","","10.1107/S1600536811055589","","","0.71073","MoKα","","0.087","0.0509","","","0.1218","0.1458","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233627","11.6861","0.0003","11.4616","0.0003","31.3782","0.0009","90","","90","","90","","4202.8","0.2","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Dibromo-6-[(<i>E</i>)-({3-[(<i>E</i>)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate","","- C19 H18 Br4 N2 O2 -","- C19 H18 Br4 N2 O2 -","- C152 H144 Br32 N16 O16 -","8","1","SU2354","Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz","2,4-Dibromo-6-[(<i>E</i>)-({3-[(<i>E</i>)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate","Acta Crystallographica Section E","2012","68","2","o323","","10.1107/S1600536811055899","","","0.71073","MoKα","","0.1238","0.0473","","","0.1012","0.1375","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233628","11.572","0.0003","7.7803","0.0002","13.3914","0.0004","90","","95.774","0.002","90","","1199.56","0.06","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(2-hydroxybenzophenone)-1,4-butanediimine","2-{[(4-{[(2- Hydroxyphenyl)(phenyl)methylidene]amino}butyl)imino](phenyl)methyl}phenol","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C60 H56 N4 O4 -","2","0.5","SU2355","Jamshidvand, Arezoo; Kia, Reza; Kargar, Hadi; Tahir, Muhammad Nawaz","2-{[(4-{[(2-Hydroxyphenyl)(phenyl)methylidene]amino}butyl)imino](phenyl)methyl}phenol","Acta Crystallographica Section E","2012","68","2","o292","","10.1107/S1600536811055905","","","0.71073","MoKα","","0.0907","0.0446","","","0.1052","0.1267","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233629","7.3872","0.0017","13.012","0.002","13.592","0.002","90","","90","","90","","1306.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-<i>N</i>'-(4-hydroxybenzylidene)-3-methylbenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","SU2356","Shen, Xi-Hai; Zhu, Li-Xue; Shao, Li-Juen; Zhu, Zhao-Fu","2-Hydroxy-<i>N</i>'-(4-hydroxybenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","2","o297","","10.1107/S1600536811055930","","","0.71073","MoKα","","0.0649","0.0436","","","0.0918","0.1025","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233630","15.8761","0.0014","7.435","0.0007","20.7517","0.0013","90","","90","","90","","2449.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4'-Dibromo-2-nitrobiphenyl","","- C12 H7 Br2 N O2 -","- C12 H7 Br2 N O2 -","- C96 H56 Br16 N8 O16 -","8","1","SU2358","Novina, J. Josephine; Vasuki, G.; Kumar, Sushil; Thomas, K. R. Justin","4,4'-Dibromo-2-nitrobiphenyl","Acta Crystallographica Section E","2012","68","2","o319","","10.1107/S1600536812000347","","","0.71073","MoKα","","0.0947","0.0422","","","0.0797","0.0952","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233631","3.992","0.0008","7.367","0.0015","20.885","0.004","90","","94.87","0.03","90","","612","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzaldehyde","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C26 H24 N4 O8 -","2","1","SU2359","He, Xue-Jun; Song, Jun-Song; Huang, Qin-Qin; Wang, De-Cai; Ou-yang, Ping-Kai","2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzaldehyde","Acta Crystallographica Section E","2012","68","2","o423","","10.1107/S1600536812000840","","","0.71073","MoKα","","0.0596","0.0462","","","0.1208","0.1305","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233632","6.0728","0.0003","16.1595","0.0008","12.849","0.0006","90","","90.238","0.003","90","","1260.91","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-(3-Ethoxy-2-hydroxybenzylidene)thiosemicarbazide","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","2","SU2360","Adabi Ardakani, Amir; Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-1-(3-Ethoxy-2-hydroxybenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","2","o340","o341","10.1107/S1600536812000487","","","0.71073","MoKα","","0.1788","0.0564","","","0.0877","0.1188","","","","","","0.919","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233633","7.4878","0.0002","9.988","0.0002","14.3754","0.0003","90","","91.846","0.001","90","","1074.55","0.04","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2-Hydroxy-5-methoxybenzylidene)thiosemicarbazide","","- C9 H11 N3 O2 S -","- C9 H11 N3 O2 S -","- C36 H44 N12 O8 S4 -","4","1","SU2361","Adabi Ardakani, Amir; Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-1-(2-Hydroxy-5-methoxybenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","2","o324","o325","10.1107/S1600536811056182","","","0.71073","MoKα","","0.0398","0.0354","","","0.1058","0.11","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233634","13.144","0.005","7.411","0.005","21.333","0.005","90","0.005","106.835","0.005","90","0.005","1989","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenethyl)-3,5-diphenyl-4<i>H</i>-1,2,4-triazole","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","SU2362","Anuradha, G.; Vasuki, G.; Ünlüer, Dilek; Birinci, Emrah","4-(4-Methoxyphenethyl)-3,5-diphenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2012","68","2","o392","","10.1107/S1600536812000359","","","0.71073","MoKα","","0.0602","0.0389","","","0.1086","0.1259","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233635","9.24","0.0007","40.384","0.004","10.1643","0.0008","90","","91.988","0.009","90","","3790.5","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4<i>Z</i>,6<i>Z</i>)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5- one","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","2","SU2363","Mojtahedi, Mohammad M.; Massa, Werner; Abaee, M. Saeed; Mesbah, A. Wahid","(4<i>Z</i>,6<i>Z</i>)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one","Acta Crystallographica Section E","2012","68","2","o356","","10.1107/S1600536812000372","","","0.71073","MoKα","","0.0851","0.034","","","0.0521","0.0581","","","","","","0.866","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233636","9.1131","0.0003","11.5757","0.0004","13.681","0.0004","94.032","0.002","97.762","0.002","109.19","0.003","1340.35","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-hydroxybenzoato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3-hydroxybenzoato- κ^2^<i>O</i>,<i>O</i>')(isonicotinamide-κ<i>N</i>^1^)cadmium] tetrahydrate","","- C52 H52 Cd2 N8 O20 -","- C52 H52 Cd2 N8 O20 -","- C52 H52 Cd2 N8 O20 -","1","0.5","SU2364","Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Bis(μ-3-hydroxybenzoato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(isonicotinamide-κ<i>N</i>^1^)cadmium] tetrahydrate","Acta Crystallographica Section E","2012","68","2","m198","m199","10.1107/S160053681200219X","","","0.71073","MoKα","","0.0175","0.0169","","","0.043","0.0433","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233637","7.7661","0.0017","22.148","0.003","9.7002","0.0016","90","","100.382","0.002","90","","1641.2","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>'-(3-Ethoxy-2-hydroxybenzylidene)-2-hydroxy-3-methylbenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","2","SU2365","Zhu, Zhao-Fu; Shao, Li-Juen; Shen, Xi-Hai","<i>N</i>'-(3-Ethoxy-2-hydroxybenzylidene)-2-hydroxy-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","2","o500","","10.1107/S1600536812002127","","","0.71073","MoKα","","0.1418","0.0537","","","0.0856","0.1134","","","","","","0.968","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233638","10.6364","0.0011","9.5089","0.001","19.3765","0.0017","90","","112.899","0.005","90","","1805.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-1<i>H</i>-benzimidazole- 5-carboxylate monohydrate","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","SU2368","Arumugam, Natarajan; Ngah, Nurziana; Osman, Hasnah; Abdul Rahim, Aisyah Saad","Ethyl 1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","2","o421","","10.1107/S1600536812001262","","","0.71073","MoKα","","0.0354","0.0321","","","0.0828","0.086","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233639","31.154","0.003","15.3768","0.0013","18.006","0.0016","90","","100.253","0.002","90","","8488","1.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}- 1,3,5-triazin-2-yl)[(pyridin-2-yl-κ<i>N</i>)methyl]amino-κ<i>N</i>]-4- methylphenolato-1:2κ^2^<i>O</i>}bis[(nitrato-\ κ^2^<i>O</i>,<i>O</i>')zinc]‒acetonitrile‒water (2/4/1)","","- C88 H83 N22 O12.5 Zn2 -","- C88 H83 N22 O12.5 Zn2 -","- C352 H332 N88 O50 Zn8 -","4","0.5","TK5033","Maheswari, Palanisami Uma; Teat, Simon J.; Roubeau, Olivier; Reedijk, Jan","Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κ<i>N</i>)methyl]amino-κ<i>N</i>]-4-methylphenolato-1:2κ^2^<i>O</i>:<i>O</i>}bis[(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc]‒acetonitrile‒water (2/4/1)","Acta Crystallographica Section E","2012","68","2","m194","m195","10.1107/S1600536811053451","","","0.6894","Synchrotron","","0.0496","0.0387","","","0.1023","0.108","","","","","","1.057","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2233640","6.608","0.004","7.963","0.007","12.369","0.006","87.451","0.013","80.725","0.017","77.324","0.018","626.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl <i>N</i>-[(benzyloxy)thiocarbonyl]carbamate","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C22 H26 N2 O6 S2 -","2","1","TK5038","Kang, Sung Kwon; Cho, Nam Sook; Jeon, Min Kyeong","Ethyl <i>N</i>-[(benzyloxy)thiocarbonyl]carbamate","Acta Crystallographica Section E","2012","68","2","o300","","10.1107/S1600536811055942","","","0.71073","MoKα","","0.0507","0.0364","","","","0.106","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233641","16.43","0.003","7.005","0.0011","16.118","0.002","90","","119.532","0.003","90","","1614","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichloridobis(quinoline-κ<i>N</i>)palladium(II)","","- C18 H14 Cl2 N2 Pd -","- C18 H14 Cl2 N2 Pd -","- C72 H56 Cl8 N8 Pd4 -","4","0.5","TK5039","Ha, Kwang","<i>trans</i>-Dichloridobis(quinoline-κ<i>N</i>)palladium(II)","Acta Crystallographica Section E","2012","68","2","m143","","10.1107/S1600536811055954","","","0.71073","MoKα","","0.0644","0.0395","","","0.0838","0.0949","","","","","","1.052","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233642","8.4452","0.001","8.0716","0.001","10.989","0.0013","90","","109.186","0.002","90","","707.47","0.15","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bis(naphthalene)molybdenum","Bis(η^6^-naphthalene)molybdenum(0)","","- C20 H16 Mo -","- C20 H16 Mo -","- C40 H32 Mo2 -","2","0.5","TK5041","Minyaev, Mikhail E.; Ellis, John E.; Wolf, William J.","Bis(η^6^-naphthalene)molybdenum(0)","Acta Crystallographica Section E","2012","68","2","m220","","10.1107/S1600536812002504","","","0.71073","MoKα","","0.0383","0.0283","","","0.0644","0.0688","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233643","6.6133","0.0009","7.4894","0.0011","13.3213","0.0016","83.247","0.008","86.097","0.007","71.363","0.008","620.54","0.15","92","2","92","2","","","","","","","","4","P -1","-P 1","2","","4,5-Dihydrocyclopenta[<i>b</i>]thiophen-6-one","","- C7 H6 O S -","- C7 H6 O S -","- C28 H24 O4 S4 -","4","2","TK5042","Hanton, Lyall R.; Moratti, Stephen C.; Shi, Zheng; Simpson, Jim","4,5-Dihydrocyclopenta[<i>b</i>]thiophen-6-one","Acta Crystallographica Section E","2012","68","2","o371","o372","10.1107/S1600536811056042","","","0.71073","MoKα","","0.0486","0.04","","","0.1082","0.1187","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233644","12.0497","0.0014","20.842","0.002","9.9482","0.001","90","","98.743","0.01","90","","2469.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(biphenyl-4-yl)-2,2-dibromo-3-oxopropyl acetate","","- C29 H22 Br2 O3 -","- C29 H22 Br2 O3 -","- C116 H88 Br8 O12 -","4","1","TK5043","Jasinski, Jerry P.; Golen, James A.; Siddaraju, B. P.; Narayana, B.; Yathirajan, H. S.","1,3-Bis(biphenyl-4-yl)-2,2-dibromo-3-oxopropyl acetate","Acta Crystallographica Section E","2012","68","2","o362","o363","10.1107/S1600536811056169","","","0.71073","MoKα","","0.099","0.0516","","","0.1092","0.1304","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233645","21.0129","0.001","11.6013","0.0005","16.6025","0.0008","90","","90","","90","","4047.3","0.3","296","2","296","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichloridozinc(II) ethanol hemisolvate","","- C15 H15 Cl2 N4 O0.5 S2 Zn -","- C14 H12 Cl2 N4 S2 Zn -","- C112 H96 Cl16 N32 S16 Zn8 -","8","1","TK5044","Kim, Young-Inn; Kang, Sung Kwon","Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichloridozinc(II) ethanol hemisolvate","Acta Crystallographica Section E","2012","68","2","m178","m179","10.1107/S1600536812001560","","","0.71073","MoKα","","0.0999","0.0459","","","","0.1359","","","","","","0.883","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233646","9.0465","0.0004","11.4348","0.0005","14.4143","0.0007","74.013","0.001","82.935","0.001","70.817","0.001","1352.96","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate","","- C28 H33 Br2 N4 O0.5 -","- C28 H33 Br2 N4 O0.5 -","- C56 H66 Br4 N8 O -","2","1","TK5046","Iqbal, Muhammad Adnan; Haque, Rosenani A.; Fun, Hoong-Kun; Chia, Tze Shyang","3,3'-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate","Acta Crystallographica Section E","2012","68","2","o466","o467","10.1107/S1600536812001596","","","0.71073","MoKα","","0.0765","0.0409","","","0.1154","0.1327","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233647","14.0865","0.0016","12.1439","0.0014","8.2723","0.0009","90","","114.447","0.002","90","","1288.2","0.3","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(pyridine-2-carboxaldehyde oximato-κ^2^<i>N</i>,<i>N</i>')(pyridine-2-carboxaldehyde oxime-κ^2^<i>N</i>,<i>N</i>')palladium(II) chloride","","- C12 H11 Cl N4 O2 Pd -","- C12 H11 Cl N4 O2 Pd -","- C48 H44 Cl4 N16 O8 Pd4 -","4","0.5","TK5047","Ha, Kwang","A second monoclinic polymorph of (pyridine-2-carboxaldehyde oximato-κ^2^<i>N</i>,<i>N</i>')(pyridine-2-carboxaldehyde oxime-κ^2^<i>N</i>,<i>N</i>')palladium(II) chloride","Acta Crystallographica Section E","2012","68","2","m176","m177","10.1107/S1600536812001559","","","0.71073","MoKα","","0.0346","0.03","","","0.0721","0.0747","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233648","15.584","0.008","4.763","0.003","18.139","0.01","90","","96.984","0.011","90","","1336.4","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Bromophenyl)-2-(4-chlorophenyl)acetamide","","- C14 H11 Br Cl N O -","- C14 H11 Br Cl N O -","- C56 H44 Br4 Cl4 N4 O4 -","4","1","TK5050","Fun, Hoong-Kun; Shahani, Tara; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(4-Bromophenyl)-2-(4-chlorophenyl)acetamide","Acta Crystallographica Section E","2012","68","2","o519","","10.1107/S1600536812002383","","","0.71073","MoKα","","0.1265","0.0592","","","0.131","0.1663","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233649","12.1307","0.0009","12.1554","0.0009","13.8209","0.001","90","","102.466","0.001","90","","1989.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[diaquatetrakis(μ~2~-benzene-1,4-dicarbonitrile- κ^2^<i>N</i>:<i>N</i>')iron(II)] bis[tetrachloroferrate(III)] nitromethane tetrasolvate]","","- C20 H24 Cl8 Fe3 N8 O10 -","- C20 H24 Cl8 Fe3 N8 O10 -","- C40 H48 Cl16 Fe6 N16 O20 -","2","0.5","TK5052","Prommon, Pimonrat; Promseenong, Pinyada; Chainok, Kittipong","Poly[[diaquatetrakis(μ~2~-benzene-1,4-dicarbonitrile-κ^2^<i>N</i>:<i>N</i>')iron(II)] bis[tetrachloridoferrate(III)] nitromethane tetrasolvate]","Acta Crystallographica Section E","2012","68","2","m211","m212","10.1107/S1600536812002486","","","0.71073","MoKα","","0.0444","0.0315","","","0.0772","0.0727","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233650","10.8382","0.0009","17.3428","0.0016","17.7939","0.0017","90","","100.781","0.001","90","","3285.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene][μ~2~-2,2'-dihydroxy-1,1'- methylenebis(naphthalene-3-carboxylato)]zinc]","","- C37 H28 N4 O6 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","VM2140","Peng, Yanqiang; Wei, Xilian; Li, Dacheng; Wang, Suna","Poly[[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene][μ~2~-2,2'-dihydroxy-1,1'-methylenebis(naphthalene-3-carboxylato)]zinc]","Acta Crystallographica Section E","2012","68","2","m125","m126","10.1107/S1600536811054584","","","0.71073","MoKα","","0.1445","0.0618","","","0.1096","0.1272","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233651","12.2998","0.001","26.232","0.002","16.1097","0.0013","90","","109.324","0.002","90","","4904.9","0.7","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>C</i>-Methylcalix[4]resorcinarene‒1,4-bis(pyridin-3-yl)-2,3-diaza- 1,3-butadiene (1/2)","2,9,15,22-tetramethylpentacyclo[21.3.1.1^10,14^.0^3,8^.0^16,21^]octacosa- 1(27),3(8),4,6,10(28),11,13,16,18,20,23,25-dodecaen- 5,6,11,13,18,19,24,26-octol‒1,4-bis(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2)","","- C56 H52 N8 O8 -","- C56 H52 N8 O8 -","- C224 H208 N32 O32 -","4","1","VM2143","Udachin, Konstantin A.; Zaman, Md. Badruz; Ripmeester, John A.","<i>C</i>-Methylcalix[4]resorcinarene‒1,4-bis(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2)","Acta Crystallographica Section E","2012","68","2","o261","o262","10.1107/S1600536811054717","","","0.7107","MoKα","","0.0935","0.0504","","","0.1157","0.1308","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233652","7.0967","0.0013","6.2911","0.0008","8.429","0.0013","90","","100.606","0.014","90","","369.89","0.1","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hydrogen 4-ammoniophenylphosphonate","","- C6 H8 N O3 P -","- C6 H8 N O3 P -","- C12 H16 N2 O6 P2 -","2","1","VM2144","Thiele, Kerstin; Wagner, Christoph; Merzweiler, Kurt","Hydrogen 4-ammoniophenylphosphonate","Acta Crystallographica Section E","2012","68","2","o263","","10.1107/S1600536811055218","","","0.71073","MoKα","","0.0331","0.0287","","","0.0613","0.0626","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233653","8.958","0.002","9.886","0.002","10.616","0.002","84.076","0.004","76.276","0.004","66.746","0.003","839.1","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","Evodiamide","<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]-<i>N</i>-methyl- 2-(methylamino)benzamide","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C38 H42 N6 O2 -","2","1","VM2145","Cai, Fang; Wu, Jie; Tian, Hai-Yan; Yuan, Xiao-Feng; Jiang, Ren-Wang","Evodiamide","Acta Crystallographica Section E","2012","68","2","o305","","10.1107/S1600536811055553","","","0.71073","MoKα","","0.0879","0.0492","","","0.1253","0.1461","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233654","7.2551","0.0006","7.8351","0.0007","12.8049","0.0011","92.367","0.007","102.946","0.008","109.011","0.008","665.51","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-1-(3,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","- C15 H10 Cl2 O2 -","- C15 H10 Cl2 O2 -","- C30 H20 Cl4 O4 -","2","1","VM2148","Jasinski, Jerry P.; Golen, James A.; Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-1-(3,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o366","","10.1107/S1600536812000505","","","0.71073","MoKα","","0.0587","0.0414","","","0.103","0.1146","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233655","7.2827","0.001","8.8573","0.0012","11.1806","0.0016","77.948","0.002","73.135","0.002","69.97","0.002","643.62","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Ethyl 4-methyl 5-ethyl-3-methyl-1<i>H</i>-pyrrole-2,4-dicarboxylate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C24 H34 N2 O8 -","2","1","VM2149","Lu, Gui-Fen; Zhu, Min; Zhu, Wei-Hua; Ou, Zhong-Ping","2-Ethyl 4-methyl 5-ethyl-3-methyl-1<i>H</i>-pyrrole-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o483","","10.1107/S1600536812001729","","","0.71073","MoKα","","0.0745","0.0665","","","0.2093","0.2196","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233656","10.568","0.01","12.574","0.011","9.373","0.008","90","","114.483","0.014","90","","1133.5","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazol-1-ido- κ<i>N</i>^1^]zinc","","- C22 H18 N12 O2 Zn -","- C22 H18 N12 O2 Zn -","- C44 H36 N24 O4 Zn2 -","2","0.5","VM2152","Li, Bo; Liu, Peng-Wen; Chen, Jing","Diaquabis[5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^]zinc","Acta Crystallographica Section E","2012","68","2","m203","","10.1107/S1600536812002061","","","0.71073","MoKα","","0.0636","0.0351","","","0.0754","0.0997","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233657","8.4367","0.001","22.921","0.002","11.4952","0.0011","90","","116.532","0.007","90","","1988.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''- terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')manganese(II) dihydrate","","- C19 H21 Mn N3 O6 -","- C19 H21 Mn N3 O6 -","- C76 H84 Mn4 N12 O24 -","4","1","VN2028","Ha, Kwang","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","2","m124","","10.1107/S1600536811055802","","","0.71073","MoKα","","0.1308","0.0545","","","0.1119","0.1462","","","","","","0.926","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233658","28.5458","0.0019","8.2274","0.0005","15.381","0.001","90","","112.708","0.001","90","","3332.3","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~2~-quinoline-3-carboxylato-κ^2^<i>N</i>:<i>O</i>)(μ~2~-quinoline- 3-carboxylato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium]","","- C20 H12 Cd N2 O4 -","- C20 H12 Cd N2 O4 -","- C160 H96 Cd8 N16 O32 -","8","1","VN2029","Wang, Xing; Yan, Yong-Sheng; Sun, He-Yi; Wang, Shen-Tang; Liu, Chun-Bo","Poly[(μ~2~-quinoline-3-carboxylato-κ^2^<i>N</i>:<i>O</i>)(μ~2~-quinoline-3-carboxylato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium]","Acta Crystallographica Section E","2012","68","2","m163","","10.1107/S1600536812001031","","","0.71073","MoKα","","0.0223","0.0185","","","0.0497","0.0509","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233659","4.8974","0.0009","4.8974","0.0009","11.649","0.002","90","","90","","90","","279.4","0.09","150","2","150","2","","","","","","","","2","I 4/m m m","-I 4 2","139","mercurous iodide","mercury(I) iodide","","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.0625","WM2566","Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Carlos, Otero-Diáz L.","Redetermination of Hg~2~I~2~","Acta Crystallographica, Section E: Structure Reports Online","2012","68","2","i11","i11","10.1107/S1600536811056339","","","0.71073","MoKα","","0.0791","0.0392","","","0.0405","0.0437","","","","","","1.47","","","","has coordinates,has Fobs","264420","2021-04-22","15:09:03",""
"2233660","20.4396","0.0008","12.8695","0.0008","7.9798","0.0004","90","","90.765","0.003","90","","2098.88","0.19","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-2,2'-[1,4-phenylenebis(sulfanediyl)]diacetato-κ^2^<i>O</i>:<i>O</i>']","","- C20 H20 N2 O6 S2 Zn -","- C20 H20 N2 O6 S2 Zn -","- C80 H80 N8 O24 S8 Zn4 -","4","0.5","WM2568","Lin, Hong; Wang, Xiao-Juan","<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-2,2'-[1,4-phenylenebis(sulfanediyl)]diacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2012","68","2","m105","","10.1107/S1600536811055310","","","0.71073","MoKα","","","0.0246","","","0.0675","0.0698","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233661","7.8998","0.0004","9.8238","0.0005","11.3815","0.0008","68.677","0.006","70.141","0.006","89.655","0.005","766.89","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[aqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-fumarato-κ^2^<i>O</i>:<i>O</i>'- [aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-fumarato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","","- C16 H12 N2 Ni O5 -","- C16 H12 N2 Ni O5 -","- C32 H24 N4 Ni2 O10 -","2","1","WM2574","Uhrinová, Anna; Kuchár, Juraj; Černák, Juraj","The chain structure of [Ni(C~4~H~2~O~4~)(C~12~H~8~N~2~)(H~2~O)]~<i>n~</i> with different types of fumarate bridging","Acta Crystallographica Section E","2012","68","2","m92","m93","10.1107/S1600536811054614","","","0.71073","MoKα","","0.0236","0.0216","","","0.0563","0.0574","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233662","10.4785","0.0001","12.9336","0.0002","4.7308","0.0001","90","","105.054","0.001","90","","619.137","0.018","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Kovdorskite","dimagnesium phosphate hydroxide trihydrate","","- H7 Mg2 O8 P -","- H7 Mg2 O8 P -","- H28 Mg8 O32 P4 -","4","1","WM2577","Morrison, Shaunna M.; Downs, Robert T.; Yang, Hexiong","Redetermination of kovdorskite, Mg~2~PO~4~(OH)·3H~2~O","Acta Crystallographica Section E","2012","68","2","i12","i13","10.1107/S1600536812000256","","","0.71073","MoKα","","0.0266","0.0222","","","0.0544","0.0564","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233663","7.7005","0.0015","8.6131","0.0017","17.46","0.003","75.98","0.03","82.55","0.03","70.6","0.03","1058.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-1,2,4-triazole- κ<i>N</i>^4^}bis(2,4,5-tricarboxybenzoato-κ<i>O</i>^1^)cadmium dihydrate","","- C40 H36 Cd N10 O20 -","- C40 H36 Cd N10 O20 -","- C40 H36 Cd N10 O20 -","1","0.5","WM2579","Zhao, Lei; Liu, Bingtao; Jin, Guanghua; Meng, Xiangru","Diaquabis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^}bis(2,4,5-tricarboxybenzoato-κ<i>O</i>^1^)cadmium dihydrate","Acta Crystallographica Section E","2012","68","2","m139","m140","10.1107/S1600536812000384","","","0.71073","MoKα","","0.0345","0.0326","","","0.0822","0.0836","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233664","10.3794","0.001","18.983","0.003","10.5021","0.0012","90","","90","","90","","2069.3","0.5","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","<i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]","","- C8 H12 Co O7 -","- C8 H12 Co O7 -","- C64 H96 Co8 O56 -","8","1","WM2580","Zhang, Fan; Lin, Qiu-Yue; Wang, Yong-Chang; He, Ji-Du","<i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","2","m146","","10.1107/S1600536812000554","","","0.71073","MoKα","","","0.029","","","0.0873","0.0875","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233665","20.544","0.0012","7.5708","0.0003","13.4274","0.0007","90","","95.176","0.005","90","","2079.91","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(methanol-κ<i>O</i>)bis(thiocyanato- κ<i>N</i>)cobalt(II)]-μ-1,3-bis(pyridin-4-yl)propane- κ^2^<i>N</i>,<i>N</i>']","","- C17 H22 Co N4 O2 S2 -","- C17 H22 Co N4 O2 S2 -","- C68 H88 Co4 N16 O8 S8 -","4","0.5","WM2581","Wöhlert, Susanne; Näther, Christian","<i>catena</i>-Poly[[bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>,<i>N</i>']","Acta Crystallographica Section E","2012","68","2","m138","","10.1107/S1600536812000499","","","0.71073","MoKα","","0.0437","0.0345","","","0.0771","0.0807","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233666","10.89","0.002","10.0494","0.0017","16.689","0.003","90","","96.68","0.02","90","","1814","0.6","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[<i>N</i>,<i>N</i>-Bis(2-aminoethyl)ethane-1,2-diamine](ethane-1,2- diamine)nickel(II) thiosulfate trihydrate","","- C8 H32 N6 Ni O6 S2 -","- C8 H32 N6 Ni O6 S2 -","- C32 H128 N24 Ni4 O24 S8 -","4","1","WM2582","Seidlhofer, Beatrix; Näther, Christian; Bensch, Wolfgang","[<i>N</i>,<i>N</i>-Bis(2-aminoethyl)ethane-1,2-diamine](ethane-1,2-diamine)nickel(II) thiosulfate trihydrate","Acta Crystallographica Section E","2012","68","2","m167","m168","10.1107/S1600536812001651","","","0.71073","MoKα","","0.0401","0.0366","","","0.0967","0.0991","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233667","7.0724","0.0003","18.3069","0.0007","19.1309","0.0007","90","","90","","90","","2476.95","0.17","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)","","- C12 H8 N8 Pd -","- C12 H8 N8 Pd -","- C96 H64 N64 Pd8 -","8","1","WM2583","Ha, Kwang","Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2012","68","2","m145","","10.1107/S1600536812001201","","","0.71073","MoKα","","0.0559","0.0326","","","0.0659","0.0839","","","","","","1.088","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233668","15.284","0.0009","9.269","0.002","12.165","0.0011","90","0.001","98.279","0.009","90","0.003","1705.4","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetramethylammonium dimethyl (phenylsulfonylamido)phosphate(1-)","","- C12 H23 N2 O5 P S -","- C12 H23 N2 O5 P S -","- C48 H92 N8 O20 P4 S4 -","4","1","WN2457","Trush, Elizaveta A.; Shishkin, Oleg V.; Trush, Victor A.; Konovalova, Irina S.; Sliva, Tetyana Yu.","Tetramethylammonium dimethyl (phenylsulfonylamido)phosphate(1{-})","Acta Crystallographica Section E","2012","68","2","o273","","10.1107/S1600536811055024","","","0.71073","MoKα","","0.0647","0.0324","","","0.0582","0.0627","","","","","","0.774","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233669","12.7346","0.0002","13.118","0.0002","15.7404","0.0002","71.766","0.001","89.813","0.001","76.15","0.001","2417.5","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C100 H140 N4 O24 -","4","2","WN2463","Fun, Hoong-Kun; Hemamalini, Madhukar; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o287","o288","10.1107/S1600536811055334","","","0.71073","MoKα","","0.0688","0.0468","","","0.1121","0.1246","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233670","12.2311","0.0003","10.3115","0.0002","11.2468","0.0003","90","","108.935","0.001","90","","1341.7","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C15 H8 Cl2 F2 O -","- C15 H8 Cl2 F2 O -","- C60 H32 Cl8 F8 O4 -","4","1","WN2465","Betz, Richard; Gerber, Thomas; Hosten, Eric; Praveen, Aletti S.; Yathirajan, Hemmige S.; Narayana, Badiadka","(2<i>E</i>)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o512","","10.1107/S1600536812002589","","","0.71073","MoKα","","0.0444","0.035","","","0.0843","0.0915","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233671","7.2292","0.0002","9.1589","0.0003","11.8243","0.0005","79.332","0.001","82.609","0.001","80.429","0.002","754.79","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-cyano-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-<i>a</i>]quinoline-4- carboxylate","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C32 H34 N6 O8 -","2","1","WN2466","Bibila Mayaya Bisseyou, Yvon; Timotou, Adéyolé; Adjou, Ajouby; Kakou-Yao, Rita; Tenon Abodou, Jules","Ethyl 4-cyano-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-<i>a</i>]quinoline-4-carboxylate","Acta Crystallographica Section E","2012","68","2","o550","o551","10.1107/S1600536812003480","","","0.71073","MoKα","","0.1262","0.083","","","0.1995","0.2473","","","","","","1.171","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233672","8.9223","0.0018","19.684","0.004","10.151","0.002","90","","90","","90","","1782.8","0.6","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[tetraaquaneodymium(III)]-di-μ-isonicotinato] chloride]","","- C12 H16 Cl N2 Nd O8 -","- C12 H16 Cl N2 Nd O8 -","- C48 H64 Cl4 N8 Nd4 O32 -","4","0.5","XU5361","Xue, Jun-Hui; Hua, Xiao-Hui; Li, Chun-Ping; Xu, Yi-Zhuang; Wu, Jin-Guang","<i>catena</i>-Poly[[[tetraaquaneodymium(III)]-di-μ-isonicotinato] chloride]","Acta Crystallographica Section E","2012","68","2","m170","m171","10.1107/S1600536811055619","","","0.71073","MoKα","","0.0795","0.063","","","0.1597","0.1902","","","","","","1.331","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233673","9.2079","0.0009","8.5034","0.0005","14.3199","0.0012","90","","100.804","0.009","90","","1101.35","0.16","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","2,3,4,6-Tetra-<i>O</i>-acetyl-β-D-galactopyranosyl butyrate","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>)-3,4,5-triacetoxy- 6-(acetoxymethyl)oxinan-2-yl butyrate","","- C18 H26 O11 -","- C18 H26 O11 -","- C36 H52 O22 -","2","1","XU5405","Cui, Yan-Li; Xu, Ming-Han; Mao, Jian-Wei; Yu, Yong-Ping","2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl butyrate","Acta Crystallographica Section E","2012","68","2","o320","","10.1107/S1600536811055814","","","0.71073","MoKα","","0.0719","0.0484","","","0.1297","0.1467","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233674","11.7896","0.0013","5.2309","0.0008","19.74","0.003","90","","91.63","0.011","90","","1216.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Fluorophenyl)-2<i>H</i>-chromen-4(3<i>H</i>)-one","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","1","XU5408","Wera, Michał; Chalyi, Andriy G.; Roshal, Alexander D.; Błażejowski, Jerzy","2-(4-Fluorophenyl)-2<i>H</i>-chromen-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","2","o253","o254","10.1107/S160053681105464X","","","0.71073","MoKα","","0.128","0.0556","","","0.1197","0.1601","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233675","12.0342","0.0003","17.4069","0.0004","9.4392","0.0002","90","","91.757","0.002","90","","1976.38","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[4-(Diphenylamino)phenyl]-1-(pyridin-2-yl)prop-2-en-1-one","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","XU5410","Fan, Cong-Bin; Wang, Xiao-Mei","(<i>E</i>)-3-[4-(Diphenylamino)phenyl]-1-(pyridin-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o417","","10.1107/S1600536811055036","","","0.71073","MoKα","","0.0945","0.0547","","","0.1357","0.1672","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233676","7.7511","0.0003","10.0726","0.0004","24.6063","0.0009","90","","90","","90","","1921.11","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[2-(<i>N</i>-Cyclohexylcarbamoyl)propan-2-yl]-<i>N</i>-(2- iodophenyl)prop-2-ynamide","","- C19 H23 I N2 O2 -","- C19 H23 I N2 O2 -","- C76 H92 I4 N8 O8 -","4","1","XU5415","Balalaie, Saeed; Haghighatnia, Yaghoub; Rominger, Frank; Amani, Vahid","<i>N</i>-[2-(<i>N</i>-Cyclohexylcarbamoyl)propan-2-yl]-<i>N</i>-(2-iodophenyl)prop-2-ynamide","Acta Crystallographica Section E","2012","68","2","o272","","10.1107/S1600536811055140","","","0.71073","MoKα","","0.0309","0.0267","","","0.057","0.06","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233677","6.5032","0.0003","7.7516","0.0004","11.5224","0.0005","95.184","0.004","103.344","0.004","94.285","0.004","560.11","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>'-[(1<i>E</i>)-(2,6-Difluorophenyl)methylidene]thiophene- 2-carbohydrazide","","- C12 H8 F2 N2 O S -","- C12.0009 H8 F2 N2 O S -","- C24.0018 H16 F4 N4 O2 S2 -","2","1","XU5416","Alanazi, Amer M.; Kadi, Adnan A.; El-Emam, Ali A.; Ng, Seik Weng","<i>N</i>'-[(1<i>E</i>)-(2,6-Difluorophenyl)methylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2012","68","2","o315","","10.1107/S160053681105611X","","","0.71073","MoKα","","0.0485","0.0384","","","0.0998","0.1077","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233678","13.3076","0.0011","5.6015","0.0004","15.3062","0.0012","90","","104.166","0.009","90","","1106.27","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(1<i>E</i>)-(4-Fluorophenyl)methylidene]thiophene-2-carbohydrazide","","- C12 H9 F N2 O S -","- C12.0024 H9 F N2 O S -","- C48.0096 H36 F4 N8 O4 S4 -","4","1","XU5417","Alanazi, Amer M.; Lahsasni, Siham; El-Emam, Ali A.; Ng, Seik Weng","<i>N</i>'-[(1<i>E</i>)-(4-Fluorophenyl)methylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2012","68","2","o314","","10.1107/S1600536811056121","","","0.71073","MoKα","","0.0661","0.0429","","","0.0917","0.1075","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233679","12.0469","0.0006","20.9213","0.001","10.3249","0.0005","90","","109.851","0.006","90","","2447.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>- 1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate","","- C26 H35 N5 O2 S -","- C26 H35 N5 O2 S -","- C104 H140 N20 O8 S4 -","4","1","XU5418","Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; El-Emam, Ali A.; Ng, Seik Weng","Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate","Acta Crystallographica Section E","2012","68","2","o531","","10.1107/S1600536811055668","","","0.71073","MoKα","","0.0782","0.0614","","","0.1455","0.1561","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233680","10.1677","0.0006","11.3287","0.0007","12.5331","0.0007","67.037","0.006","85.768","0.005","83.547","0.005","1320.12","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-phenyl- 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C30 H37 N5 S -","- C30 H37 N5 S -","- C60 H74 N10 S2 -","2","1","XU5419","Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; El-Emam, Ali; Ng, Seik Weng","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","2","o344","","10.1107/S160053681105570X","","","0.71073","MoKα","","0.1045","0.0635","","","0.1267","0.1505","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233681","11.3342","0.0005","8.4744","0.0003","13.7868","0.0006","90","","103.864","0.004","90","","1285.65","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]- 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C29 H35 N5 S -","- C29 H35 N5 S -","- C58 H70 N10 S2 -","2","1","XU5420","Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; El-Emam, Ali; Ng, Seik Weng","3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","2","o345","","10.1107/S1600536811055711","","","0.71073","MoKα","","0.0659","0.0597","","","0.1485","0.1535","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233682","20.4078","0.0019","4.4343","0.0003","22.6285","0.0017","90","","111.813","0.01","90","","1901.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ethoxymethyl-6-ethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione","","- C8 H13 N3 O3 -","- C8 H13 N3 O3 -","- C64 H104 N24 O24 -","8","1","XU5421","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","2-Ethoxymethyl-6-ethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione","Acta Crystallographica Section E","2012","68","2","o346","","10.1107/S1600536811055747","","","0.71073","MoKα","","0.0561","0.0417","","","0.0961","0.1074","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233683","4.6162","0.0005","11.7896","0.0014","12.5769","0.001","81.588","0.008","85.836","0.007","87.245","0.009","674.84","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4- triazine-3,5-dione","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C28 H30 N6 O6 -","2","1","XU5422","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Turkistani, Abdulghafoor A.; Ng, Seik Weng","2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione","Acta Crystallographica Section E","2012","68","2","o347","","10.1107/S160053681105567X","","","0.71073","MoKα","","0.1256","0.0805","","","0.2026","0.2498","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233684","15.608","0.0013","8.133","0.0006","27.496","0.002","90","","93.397","0.007","90","","3484.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[(Cyclopropylmethoxy)methyl]-5-ethyl-6-(4-methylbenzyl)-1,2,3,4- tetrahydropyrimidine-2,4-dione","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C152 H192 N16 O24 -","8","1","XU5423","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","1-[(Cyclopropylmethoxy)methyl]-5-ethyl-6-(4-methylbenzyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione","Acta Crystallographica Section E","2012","68","2","o348","","10.1107/S1600536811055681","","","0.71073","MoKα","","0.1095","0.0606","","","0.1211","0.1545","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233685","14.0251","0.0005","9.4285","0.0003","30.8606","0.0012","90","","91.58","0.003","90","","4079.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(Cyclopropylmethoxy)methyl]-6-(3,4-dimethoxybenzyl)-5-ethyl-1,2,3,4- tetrahydropyrimidine-2,4-dione ethanol hemisolvate","","- C21 H29 N2 O5.5 -","- C21 H29 N2 O5.5 -","- C168 H232 N16 O44 -","8","2","XU5424","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","1-[(Cyclopropylmethoxy)methyl]-6-(3,4-dimethoxybenzyl)-5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ethanol hemisolvate","Acta Crystallographica Section E","2012","68","2","o349","o350","10.1107/S1600536811055693","","","0.71073","MoKα","","0.0892","0.0563","","","0.1416","0.1656","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233686","4.8276","0.0004","14.9398","0.001","15.4574","0.0012","76.949","0.006","89.296","0.006","88.267","0.006","1085.53","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-(3,5-Dimethylbenzyyl)-5-ethyl-1-[(3-phenylpropoxy)methyl]-1,2,3,4- tetrahydropyrimidine-2,4-dione","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C50 H60 N4 O6 -","2","1","XU5425","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","6-(3,5-Dimethylbenzyl)-5-ethyl-1-[(3-phenylpropoxy)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione","Acta Crystallographica Section E","2012","68","2","o316","","10.1107/S1600536811055723","","","0.71073","MoKα","","0.0783","0.0564","","","0.1463","0.1665","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233687","8.7791","0.0006","14.1747","0.0011","20.1577","0.0014","90","","90","","90","","2508.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[4-(Propylsulfamoyl)phenyl]acetamide","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C88 H128 N16 O24 S8 -","8","1","XU5426","Ahmad, Saba; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Khan, Islam Ullah; Akkurt, Mehmet","<i>N</i>-[4-(Propylsulfamoyl)phenyl]acetamide","Acta Crystallographica Section E","2012","68","2","o290","o291","10.1107/S1600536811055528","","","0.71073","MoKα","","0.1359","0.0572","","","0.1355","0.1728","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233688","30.5551","0.0008","5.3132","0.0001","17.8757","0.0005","90","","98.267","0.002","90","","2871.88","0.12","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,3-Bis[2-hydroxy-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-2<i>H</i>- furo[2,3-<i>d</i>][1,3]dioxol-5-yl)ethyl]-2,3-dihydro-1<i>H</i>- 1,3-benzodiazol-2-one","","- C27 H38 N2 O11 -","- C27 H38 N2 O11 -","- C108 H152 N8 O44 -","4","1","XU5430","Lakhrissi, Brahim; Massoui, Mohamed; Ramli, Youssef; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Bis[2-hydroxy-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-5-yl)ethyl]-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2012","68","2","o351","","10.1107/S160053681105625X","","","0.71073","MoKα","","0.0658","0.0436","","","0.1168","0.1335","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233689","7.7429","0.0004","8.7029","0.0004","19.0069","0.0009","85.695","0.001","83.218","0.001","64.882","0.001","1151.12","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(<i>N</i>,<i>N</i>-diethylpyridine-3-carboxamide-κ<i>N</i>^1^)bis{4- [2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κ<i>O</i>}copper(II)","","- C44 H54 Cu N8 O12 -","- C44 H54 Cu N8 O12 -","- C44 H54 Cu N8 O12 -","1","0.5","XU5431","Alieva, Rafiqa A.; Mardanova, Vusala I.; Chyraqov, Famil M.; Gurbanov, Atash V.; Ng, Seik Weng","Diaquabis(<i>N</i>,<i>N</i>-diethylpyridine-3-carboxamide-κ<i>N</i>^1^)bis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κ<i>O</i>}copper(II)","Acta Crystallographica Section E","2012","68","2","m127","","10.1107/S1600536811056200","","","0.71073","MoKα","","0.0575","0.0463","","","0.1262","0.1338","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233690","17.0586","0.0008","8.5289","0.0004","24.8249","0.0012","90","","101.431","0.001","90","","3540.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin- 1-yl]benzoato-κ<i>O</i>}copper(II)]-μ-<i>N</i>,<i>N</i>-diethylpyridine- 3-carboxamide-κ^2^<i>N</i>^1^:<i>O</i>]","","- C34 H38 Cu N6 O10 -","- C34 H38 Cu N6 O10 -","- C136 H152 Cu4 N24 O40 -","4","1","XU5432","Maharramov, Abel M.; Mardanova, Vusala I.; Chyraqov, Famil M.; Gurbanov, Atash V.; Ng, Seik Weng","<i>catena</i>-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κ<i>O</i>}copper(II)]-μ-<i>N</i>,<i>N</i>-diethylpyridine-3-carboxamide-κ^2^<i>N</i>^1^:<i>O</i>]","Acta Crystallographica Section E","2012","68","2","m128","","10.1107/S1600536812000025","","","0.71073","MoKα","","0.079","0.0454","","","0.1142","0.1313","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233691","22.984","0.005","9.0055","0.0018","21.62","0.004","90","","113.59","0.03","90","","4101","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Propane-1,3-diaminium bis(perchlorate)‒18-crown-6 (1/2)","","- C27 H60 Cl2 N2 O20 -","- C27 H60 Cl2 N2 O20 -","- C108 H240 Cl8 N8 O80 -","4","0.5","XU5433","Zhao, Min-Min","Propane-1,3-diaminium bis(perchlorate)‒18-crown-6 (1/2)","Acta Crystallographica Section E","2012","68","2","o327","","10.1107/S1600536811056248","","","0.71073","MoKα","","0.1432","0.0846","","","0.2159","0.2478","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233692","19.5624","0.0008","8.3501","0.0004","17.5346","0.0007","90","","90","","90","","2864.2","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","5-Bromo-3-cyclopentylsulfinyl-2,7-dimethyl-1-benzofuran","","- C15 H17 Br O2 S -","- C15 H17 Br O2 S -","- C120 H136 Br8 O16 S8 -","8","1","XU5434","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-cyclopentylsulfinyl-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o373","","10.1107/S1600536811056091","","","0.71073","MoKα","","0.0863","0.0426","","","0.0811","0.0942","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233693","9.4546","0.0019","12.532","0.003","15.394","0.003","104.28","0.03","103.2","0.03","94.54","0.03","1703.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[<i>N</i>-(2-hydroxybenzyl)adamantan-1-aminium] fluoride tetrafluoroborate monohydrate","","- C34 H50 B F5 N2 O3 -","- C34 H50 B F5 N2 O3 -","- C68 H100 B2 F10 N4 O6 -","2","1","XU5436","Wang, Ying-Chun","Bis[<i>N</i>-(2-hydroxybenzyl)adamantan-1-aminium] fluoride tetrafluoroborate monohydrate","Acta Crystallographica Section E","2012","68","2","o389","","10.1107/S1600536812000694","","","0.71073","MoKα","","0.1495","0.0738","","","0.1882","0.2209","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233694","16.4338","0.0003","21.2112","0.0004","14.0347","0.0003","90","","113.325","0.002","90","","4492.4","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquadichloridomethylphenyltin(IV)‒ 1,4,7,10,13-pentaoxacyclopentadecane (1/1)","","- C17 H32 Cl2 O7 Sn -","- C17 H32 Cl2 O7 Sn -","- C136 H256 Cl16 O56 Sn8 -","8","2","XU5443","Vafaee, Marzieh; Amini, Mostafa M.; Ng, Seik Weng","Diaquadichloridomethylphenyltin(IV)‒1,4,7,10,13-pentaoxacyclopentadecane (1/1)","Acta Crystallographica Section E","2012","68","2","m213","","10.1107/S1600536812002693","","","0.71073","MoKα","","0.0354","0.0281","","","0.0713","0.0777","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233695","9.3218","0.0006","9.432","0.0005","14.1544","0.0008","100.475","0.005","104.453","0.005","90.238","0.005","1183.43","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3-Diethoxy-5-fluoro-2,3-dihydro-1<i>H</i>-indol-2-one","","- C12 H14 F N O3 -","- C12 H14 F N O3 -","- C48 H56 F4 N4 O12 -","4","2","XU5445","Bari, Ahmed; Al-Obaid, Abdulrahman M.; Saeed, Ali Syed; Ng, Seik Weng","3,3-Diethoxy-5-fluoro-2,3-dihydro-1<i>H</i>-indol-2-one","Acta Crystallographica Section E","2012","68","2","o487","","10.1107/S1600536812001857","","","1.54184","CuKα","","0.0429","0.0374","","","0.0947","0.1001","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233696","12.09","0.0004","20.8119","0.001","6.4865","0.0002","90","","90","","90","","1632.11","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Bromophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C72 H68 Br4 O8 S4 -","4","1","XU5447","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o481","","10.1107/S1600536812001973","","","0.71073","MoKα","","0.0484","0.0336","","","0.0707","0.0757","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233697","14.3924","0.0001","9.6206","0.0002","17.4245","0.0003","90","","105.84","0.001","90","","2321.04","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ~3~-4- sulfonatobenzene-1,2-dicarboxylato- κ^4^<i>O</i>^1^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^)erbium(III)] dihydrate]","","- C20 H19 Er N2 O11 S -","- C20 H19 Er N2 O11 S -","- C80 H76 Er4 N8 O44 S4 -","4","1","XU5455","Zhang, Kou-Lin; Lin, Jian-Guo; Ng, Seik Weng","Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ~3~-4-sulfonatobenzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^)erbium(III)] dihydrate]","Acta Crystallographica Section E","2012","68","2","m226","","10.1107/S1600536812003467","","","0.71073","MoKα","","0.0401","0.037","","","0.0919","0.0948","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233698","8.0136","0.0012","12.2741","0.0019","9.2061","0.0016","90","","115.268","0.005","90","","818.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(dimethylammonium) 2,5-dihydroxybenzene-1,4-disulfonate","","- C10 H20 N2 O8 S2 -","- C10 H20 N2 O8 S2 -","- C20 H40 N4 O16 S4 -","2","0.5","XU5456","Gao, Shan; Ng, Seik Weng","Bis(dimethylammonium) 2,5-dihydroxybenzene-1,4-disulfonate","Acta Crystallographica Section E","2012","68","2","o555","","10.1107/S1600536812003406","","","0.71073","MoKα","","0.045","0.0423","","","0.1121","0.115","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233699","9.2722","0.0005","21.4148","0.0015","16.5695","0.0008","90","","95.2","0.004","90","","3276.5","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetracarbonyl[bis(diphenylphosphanyl)tetramethyldisiloxane- κ^2^<i>P</i>,<i>P</i>']chromium(0)","","- C32 H32 Cr O5 P2 Si2 -","- C32 H32 Cr O5 P2 Si2 -","- C128 H128 Cr4 O20 P8 Si8 -","4","1","YK2038","Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Tetracarbonyl[bis(diphenylphosphanyl)tetramethyldisiloxane-κ^2^<i>P</i>,<i>P</i>']chromium(0)","Acta Crystallographica Section E","2012","68","2","m119","","10.1107/S1600536812000219","","","0.71073","MoKα","","0.0533","0.0347","","","0.0564","0.0593","","","","","","0.786","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233700","9.493","0.002","21.406","0.006","15.743","0.004","90","","93.562","0.004","90","","3192.9","1.4","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(4<i>R</i>,5<i>R</i>)-(2,2-Dimethyl-1,3-dioxolane-4,5- diyl)bis(diphenylmethanolato)]-κ^2^<i>O</i>:<i>O</i>']bis(<i>N</i>- methylmethanaminato)titanium(IV)","","- C35 H40 N2 O4 Ti -","- C35 H40 N2 O4 Ti -","- C140 H160 N8 O16 Ti4 -","4","2","YK2040","Roteta, Leslie; Tanski, Joseph M.","[(4<i>R</i>,5<i>R</i>)-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ^2^<i>O</i>:<i>O</i>']bis(<i>N</i>-methylmethanaminato)titanium(IV)","Acta Crystallographica Section E","2012","68","2","m217","","10.1107/S1600536812002929","","","0.71073","MoKα","","0.1165","0.0677","","","0.1462","0.1695","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233701","7.166","0.002","7.643","0.002","27.802","0.009","90","","90","","90","","1522.7","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis(hydrogen tartrato)cobalt(II) dihydrate","","- C8 H18 Co O16 -","- C8 H18 Co O16 -","- C32 H72 Co4 O64 -","4","1","ZJ2043","Du, Chao-Jun; Zhang, Qun-An; Wang, Li-Sheng; Du, Chao-Ling","Diaquabis(hydrogen tartrato)cobalt(II) dihydrate","Acta Crystallographica Section E","2012","68","2","m99","m100","10.1107/S1600536811054390","","","0.71073","MoKα","","0.0544","0.05","","","0.1118","0.1155","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233702","16.3621","0.0011","5.918","0.0004","13.1706","0.0009","90","","113.639","0.005","90","","1168.31","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-[hydrazinediylidenebis(methanylylidene)]diphenol salicylaldehyde azine","2-((1<i>E</i>)-{(<i>E</i>)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1- ylidene}methyl)phenol","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","ZJ2044","Saeed, Aamer; Bolte, Michael; Arshad, Muhammad","Space group revsion of the triclinic polymorph of salicylaldehyde azine","Acta Crystallographica Section E","2012","68","2","o255","","10.1107/S160053681105478X","","","0.71073","MoKα","","0.0499","0.0448","","","0.1133","0.116","","","","","","1.167","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233703","20.103","0.003","5.0634","0.0009","16.036","0.003","90","","110.142","0.002","90","","1532.5","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ag(C5H3N1SO3Br)","Poly[(μ~4~-5-bromopyridine-3-sulfonato)silver(I)]","","- C5 H3 Ag Br N O3 S -","- C5 H3 Ag Br N O3 S -","- C40 H24 Ag8 Br8 N8 O24 S8 -","8","1","ZJ2045","Lu, Ying-Bing; Jian, Fang-Mei","Poly[(μ~4~-5-bromopyridine-3-sulfonato)silver(I)]","Acta Crystallographica Section E","2012","68","2","m101","","10.1107/S1600536811055206","","","0.71073","MoKα","","0.0408","0.0376","","","0.1482","0.1519","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233704","3.83162","0.00019","11.8651","0.0007","12.7608","0.0007","90","","100.886","0.002","90","","569.7","0.05","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloropyrimidin-4-amine","","- C4 H4 Cl N3 -","- C4 H4 Cl N3 -","- C16 H16 Cl4 N12 -","4","1","ZJ2047","van Albada, Gerard A.; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","2-Chloropyrimidin-4-amine","Acta Crystallographica Section E","2012","68","2","o302","","10.1107/S1600536811055863","","","0.71075","MoKα","","0.0496","0.0349","","","0.0823","0.0915","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233705","7.8291","0.0001","21.6666","0.0004","12.0332","0.0002","90","","107.845","0.001","90","","1942.99","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[2,2-bis(phenylsulfonyl)ethenyl]-4-methoxybenzene","","- C21 H18 O5 S2 -","- C21 H18 O5 S2 -","- C84 H72 O20 S8 -","4","1","ZJ2048","Asahara, Haruyasu; Mayer, Peter; Mayr, Herbert","1-[2,2-Bis(phenylsulfonyl)ethenyl]-4-methoxybenzene","Acta Crystallographica Section E","2012","68","2","o470","","10.1107/S1600536812001961","","","0.71073","MoKα","","0.0399","0.033","","","0.0806","0.0842","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233706","8.743","0.0017","9.5463","0.0019","14.109","0.003","95","0.03","101.89","0.03","96.29","0.03","1138.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 2-amino-3,5-dimethylbenzenesulfonate monohydrate","","- C24 H31 N3 O4 S -","- C24 H31 N3 O4 S -","- C48 H62 N6 O8 S2 -","2","1","ZJ2049","Li, Liang; Tao, Xutang; Yang, Huai; Yang, Zhou","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 2-amino-3,5-dimethylbenzenesulfonate monohydrate","Acta Crystallographica Section E","2012","68","2","o426","o427","10.1107/S160053681200089X","","","0.71073","MoKα","","0.0515","0.0474","","","0.1188","0.1218","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233707","12.2179","0.0006","4.0007","0.0002","12.8451","0.0006","90","","109.731","0.003","90","","591.01","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Bromopyridin-2-amine","","- C5 H5 Br N2 -","- C5 H5 Br N2 -","- C20 H20 Br4 N8 -","4","1","ZJ2050","Johnson, Marcelle; Lemmerer, Andreas","3-Bromopyridin-2-amine","Acta Crystallographica Section E","2012","68","2","o385","","10.1107/S1600536811055541","","","0.71073","MoKα","","","0.034","","","","0.0821","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233708","5.1093","0.0004","9.2367","0.0008","9.6769","0.0008","68.725","0.003","82.576","0.003","89.045","0.003","421.77","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Beta-alanine lithium sulphate monohydrate","Poly[μ~3~-β-alanine-aqua-μ~4~-sulfato-dilithium]","","- C3 H9 Li2 N O7 S -","- C3 H9 Li2 N O7 S -","- C6 H18 Li4 N2 O14 S2 -","2","1","ZJ2051","Sweetlin, M. Daniel; Eapen, Shibu M.; Perumal, S.; Ramalingom, S.","Poly[μ~3~-β-alanine-aqua-μ~4~-sulfato-dilithium]","Acta Crystallographica Section E","2012","68","2","m206","m207","10.1107/S1600536812002115","","","0.71073","MoKα","","0.0439","0.0414","","","0.112","0.1147","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233709","9.9429","0.0006","19.7506","0.0011","7.3696","0.0004","90","","104.422","0.002","90","","1401.62","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C16 H13 F O3 S -","- C16 H13 F O3 S -","- C64 H52 F4 O12 S4 -","4","1","ZJ2054","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o455","","10.1107/S1600536812001602","","","0.71073","MoKα","","0.0578","0.0414","","","0.0994","0.1082","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233710","10.053","0.003","22.357","0.007","23.099","0.008","90","","90","","90","","5192","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-4-carboxylate-κ<i>N</i>)cobalt(III) chloroform monosolvate","","- C17 H24 Cl4 Co N5 O6 -","- C17 H24 Cl4 Co N5 O6 -","- C136 H192 Cl32 Co8 N40 O48 -","8","1","ZL2444","Wang, Ning; Sun, Xuzhuo; Wan, Dongjin; Chen, Jing; Li, Bo","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-4-carboxylate-κ<i>N</i>)cobalt(III) chloroform monosolvate","Acta Crystallographica Section E","2012","68","2","m204","m205","10.1107/S1600536812002449","","","0.71073","MoKα","","0.0706","0.0514","","","0.1461","0.1583","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233711","14.261","0.003","5.615","0.0011","25.823","0.005","90","","94.84","0.03","90","","2060.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,4-Difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanol","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C80 H72 F16 N24 O8 -","8","1","ZQ2149","Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao","1-(2,4-Difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanol","Acta Crystallographica Section E","2012","68","2","o431","","10.1107/S1600536812001110","","","0.71073","MoKα","","0.0993","0.0508","","","0.1228","0.1432","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233712","14.8736","0.0007","17.4346","0.0009","18.1756","0.001","90","","116.023","0.003","90","","4235.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>- phenylhydrazinecarbothioamide","","- C15 H11 F N4 O S -","- C15 H11 F N4 O S -","- C180 H132 F12 N48 O12 S12 -","12","3","ZS2169","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","2","o285","o286","10.1107/S160053681105433X","","","0.71073","MoKα","","0.1275","0.0668","","","0.1084","0.1281","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233713","8.6431","0.0017","24.465","0.005","9.875","0.002","90","","104.99","0.03","90","","2017","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","<i>O</i>,<i>O</i>'-Diisopropyl <i>S</i>-[2-(benzenesulfonamido)ethyl]phosphorodithioate","<i>O</i>,<i>O</i>'-Diisopropyl <i>S</i>-[2-(benzenesulfonamido)ethyl]dithiophosphate","","- C14 H24 N O4 P S3 -","- C14 H24 N O4 P S3 -","- C56 H96 N4 O16 P4 S12 -","4","1","ZS2173","Wu, Hai-Feng; Liu, Xin-Yi; Zhang, Fan-Hua; He, Yun-Xiao","<i>O</i>,<i>O</i>'-Diisopropyl <i>S</i>-[2-(benzenesulfonamido)ethyl]phosphorodithioate","Acta Crystallographica Section E","2012","68","2","o282","","10.1107/S160053681105536X","","","0.71073","MoKα","","0.0692","0.0409","","","0.1011","0.1272","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233714","8.2552","0.001","8.8074","0.0011","9.1399","0.001","67.879","0.012","68.78","0.011","75.096","0.011","568.23","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')bis(nitrato-κ<i>O</i>)copper(II)","","- C20 H40 Cu N6 O6 -","- C20 H40 Cu N6 O6 -","- C20 H40 Cu N6 O6 -","1","0.5","XU5440","Choi, Jong-Ha; Subhan, Md Abdus; Ng, Seik Weng","(3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2012","68","2","m190","","10.1107/S1600536812001845","","","0.71073","MoKα","","0.0642","0.0523","","","0.1263","0.1324","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233715","19.972","0.002","4.7426","0.0005","20.613","0.002","90","","95.815","0.002","90","","1942.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chloro-<i>N</i>-{2-[(1<i>H</i>-pyrrol-2- yl)carbonyloxy]ethyl}anilino)ethyl 1<i>H</i>-pyrrole-2-carboxylate","","- C20 H20 Cl N3 O4 -","- C20 H20 Cl N3 O4 -","- C80 H80 Cl4 N12 O16 -","4","1","CV5220","Yan, Ying; Zhang, Guilong; Yin, Zhenming","2-(4-Chloro-<i>N</i>-{2-[(1<i>H</i>-pyrrol-2-yl)carbonyloxy]ethyl}anilino)ethyl 1<i>H</i>-pyrrole-2-carboxylate","Acta Crystallographica Section E","2012","68","2","o378","","10.1107/S1600536811056170","","","0.71073","MoKα","","0.1102","0.0382","","","0.0757","0.1057","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233717","7.1627","0.0017","10.276","0.002","24.605","0.006","90","","90","","90","","1811","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(9-methoxy-3,5-dimethyl-5,6-dihydronaphtho[2,3-<i>b</i>]furan-4-yl)methyl 2-methylbut-2-enoate","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","AA2037","Rojano-Vilchis, Nadia; Hernández-Ortega, Simón; Jimenez-Estrada, Manuel; Torres Avilez, Armando","14-Angeloyloxycacalohastine from <i>Psacalium peltatum</i>","Acta Crystallographica Section E","2012","68","3","o672","o673","10.1107/S1600536812004199","","","0.71073","MoKα","","0.0405","0.0351","","","0.0921","0.0945","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233718","9.9012","0.0002","11.3431","0.0002","16.0701","0.0003","100.17","0.001","90.487","0.001","98.373","0.001","1756.46","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(3-Ethyl-6,7-dimethoxynaphthalen-1-yl)(phenyl)methanone","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","2","AA2044","Sakthivel, Karuppusamy; Srinivasan, Kannupal; Natarajan, Sampath","(3-Ethyl-6,7-dimethoxynaphthalen-1-yl)(phenyl)methanone","Acta Crystallographica Section E","2012","68","3","o652","","10.1107/S1600536812004734","","","0.71073","MoKα","","0.0928","0.062","","","0.1831","0.2135","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233719","12.647","0.003","8.1065","0.0016","20.58","0.004","90","","107.42","0.03","90","","2013.2","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]dibenzimidazole hemihydrate","","- C21 H23 Br2 N4 O0.5 -","- C21 H23 Br2 N4 O0.5 -","- C84 H92 Br8 N16 O2 -","4","1","BG2435","Wang, Xing; Liu, Chun-Bo; Wang, Shen-Tang; Yan, Yong-Sheng; Liu, Ling","2,2'-Dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]dibenzimidazole hemihydrate","Acta Crystallographica Section E","2012","68","3","o856","","10.1107/S1600536812007751","","","0.71073","MoKα","","0.1013","0.0742","","","0.1442","0.1593","","","","","","1.126","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2233720","12.86","0.007","14.928","0.008","15.015","0.011","90","","113.967","0.006","90","","2634","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-<i>N</i>-Butyl-3-(3,4-dihydroxyphenyl)acrylamide monohydrate","","- C13 H18 N O3.5 -","- C13 H18 N O3.5 -","- C104 H144 N8 O28 -","8","1","BG2440","Han, Yan; Hao, Mi-Hua","(<i>E</i>)-<i>N</i>-Butyl-3-(3,4-dihydroxyphenyl)acrylamide hemihydrate","Acta Crystallographica Section E","2012","68","3","o727","","10.1107/S1600536812005570","","","0.71073","MoKα","","0.0586","0.0417","","","0.1073","0.12","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233721","5.677","0.003","9.186","0.004","16.531","0.007","90","","98.91","0.03","90","","851.7","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","cis-Zearalenone","(3<i>S</i>,11<i>Z</i>)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro- 1<i>H</i>-2-benzoxacyclotetradecine-1,7(8<i>H</i>)-dione","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","BG2443","Köppen, Robert; Riedel, Juliane; Emmerling, Franziska; Koch, Matthias","(3<i>S</i>,11<i>Z</i>)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1<i>H</i>-2-benzoxacyclotetradecine-1,7(8<i>H</i>)-dione (<i>cis</i>-zearalenone): a redetermination","Acta Crystallographica Section E","2012","68","3","o832","","10.1107/S1600536812002735","","","0.71073","MoKα","","0.0893","0.0383","","","0.0862","0.1237","","","","","","0.865","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233722","8.375","0.002","16.005","0.004","14.057","0.004","90","","102.618","0.004","90","","1838.7","0.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(1-methyl-1<i>H</i>imidazole-κ<i>N</i>^3^)zinc]- μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O^2^</i>]","","- C16 H15 N5 O6 Zn -","- C16 H15 N5 O6 Zn -","- C64 H60 N20 O24 Zn4 -","4","1","BH2410","Zhang, Xi-Juan; Guo, Ming-Lin","<i>catena</i>-Poly[[bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc]-μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O^2^</i>]","Acta Crystallographica Section E","2012","68","3","m262","m263","10.1107/S1600536812004576","","","0.71073","MoKα","","0.0302","0.0275","","","0.0728","0.0741","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233723","17.9907","0.0018","5.0898","0.0004","13.2564","0.001","90","","90","","90","","1213.88","0.18","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","BH2411","Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa","(<i>E</i>)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol","Acta Crystallographica Section E","2012","68","3","o578","","10.1107/S1600536812003212","","","0.71073","MoKα","","0.051","0.0374","","","0.0784","0.0837","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233724","8.2981","0.0001","9.2963","0.0002","20.7796","0.0003","90","","112.815","0.001","90","","1477.56","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-1-phenyl-1<i>H</i>-benzimidazole","","- C19 H13 Cl N2 -","- C19 H13 Cl N2 -","- C76 H52 Cl4 N8 -","4","1","BH2413","Kassim, Karimah; Hashim, N. Zakiah N.; Fadzil, Adibatul Husna; Yusof, M. Sukeri M.","2-(4-Chlorophenyl)-1-phenyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","3","o799","","10.1107/S1600536812006678","","","0.71073","MoKα","","0.0472","0.0388","","","0.1005","0.1063","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233725","11.5157","0.0002","9.8239","0.0001","14.0922","0.0002","90","","99.035","0.002","90","","1574.46","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6<i>S</i>,7<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-Ethyl-3-oxo- 1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diyl diacetate","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","2","BQ2336","Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Marchalín, Štefan","(6<i>S</i>,7<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-Ethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diyl diacetate","Acta Crystallographica Section E","2012","68","3","o662","o663","10.1107/S1600536812005144","","","0.71073","MoKα","","0.0521","0.0371","","","0.0985","0.1037","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233726","7.9332","0.0002","8.2265","0.0002","22.7419","0.0005","90","","92.769","0.001","90","","1482.46","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-{[(4-methylphenyl)sulfonyl]amino}benzoate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","BQ2337","Sohail, Muhammad; Asghar, Muhammad Nadeem; Tahir, M. Nawaz; Shafique, Muhammad; Ashfaq, Muhammad","Methyl 4-{[(4-methylphenyl)sulfonyl]amino}benzoate","Acta Crystallographica Section E","2012","68","3","o666","","10.1107/S160053681200476X","","","0.71073","MoKα","","0.0471","0.0385","","","0.1027","0.1131","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233727","19.329","0.004","6.7967","0.0012","8.2501","0.0016","90","","90","","90","","1083.8","0.4","298","2","298","2","","","","","","","","4","P m n 21","P 2ac -2","31","","2,4-Bis(4-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C50 H62 N2 O6 -","2","0.5","BQ2338","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(4-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","3","o779","o780","10.1107/S1600536812006563","","","0.71073","MoKα","","0.0501","0.0368","","","0.0868","0.0942","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233728","8.437","0.0004","10.6711","0.0005","11.7559","0.0005","92.914","0.001","96.949","0.001","93.978","0.001","1046.23","0.08","100","1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-(8-Bromoimidazo[1,2-<i>a</i>]pyridin-2-yl)-<i>N</i>'-[(<i>E</i>)- 4-diethylamino-2-hydroxybenzylidene]acetohydrazide dihydrate","","- C20 H26 Br N5 O4 -","- C20 H26 Br N5 O4 -","- C40 H52 Br2 N10 O8 -","2","1","BQ2340","Fun, Hoong-Kun; Loh, Wan-Sin; Shenvi, Seema; Isloor, Arun M.; Hegde, Gurumurthy","2-(8-Bromoimidazo[1,2-<i>a</i>]pyridin-2-yl)-<i>N</i>'-[(<i>E</i>)-4-diethylamino-2-hydroxybenzylidene]acetohydrazide dihydrate","Acta Crystallographica Section E","2012","68","3","o816","o817","10.1107/S160053681200685X","","","0.71073","MoKα","","0.032","0.0273","","","0.0745","0.0767","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233729","29.544","0.004","11.6258","0.0012","20.247","0.003","90","","129.391","0.002","90","","5374.5","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aqua(benzamidato-κ<i>N</i>)bis[3,5-difluoro-2-(pyridin-2-yl)phenyl- κ<i>C</i>^1^]iridium(III) methanol monosolvate","","- C30 H24 F4 Ir N3 O3 -","- C30 H20 F4 Ir N3 O3 -","- C240 H160 F32 Ir8 N24 O24 -","8","1","BR2185","Zhang, Songlin; Wu, Feng; Ding, Yuqiang","Aqua(benzamidato-κ<i>N</i>)bis[3,5-difluoro-2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) methanol monosolvate","Acta Crystallographica Section E","2012","68","3","m310","","10.1107/S1600536812005922","","","0.71075","MoKα","","0.0567","0.0451","","","0.0949","0.1005","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233730","13.056","0.002","13.056","0.003","12.48","0.003","90","","90","","120","","1842.3","0.7","293","2","293","2","","","","","","","","6","P 6 2 2","P 6 2","177","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)ferrate((III) monohydrate","","- C36 H26 Co Fe N6 O13 -","- C36 H26.001 Co Fe N6 O13 -","- C72 H52.002 Co2 Fe2 N12 O26 -","2","0.166667","BR2188","Chygorin, Eduard N.; Petrusenko, Svitlana R.; Kokozay, Volodymyr N.; Omelchenko, Irina V.; Shishkin, Oleg V.","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)ferrate(III) monohydrate","Acta Crystallographica Section E","2012","68","3","m233","m234","10.1107/S1600536812003224","","","0.71073","MoKα","","0.0852","0.0625","","","0.1451","0.1546","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233731","9.6463","0.0004","7.7062","0.0003","22.4675","0.0009","90","","100.337","0.002","90","","1643.04","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (<i>E</i>)-2-({2-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)- 3-phenylacrylate","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","BT5745","Suresh, G.; Sabari, V.; Srinivasan, J.; Mannickam, Bakthadoss; Aravindhan, S.","Methyl (<i>E</i>)-2-({2-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate","Acta Crystallographica Section E","2012","68","3","o608","","10.1107/S1600536812002711","","","0.71073","MoKα","","0.072","0.0458","","","0.1119","0.1271","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233732","8.4851","0.0002","9.39","0.0003","10.0779","0.0003","100.208","0.002","90.725","0.001","105.206","0.001","761.1","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)- 3-<i>p</i>-tolylacrylonitrile","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","BT5756","Suresh, G.; Sabari, V.; Srinivasan, J.; Mannickam, Bakthadoss; Aravindhan, S.","(<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)-3-<i>p</i>-tolylacrylonitrile","Acta Crystallographica Section E","2012","68","3","o570","","10.1107/S160053681200270X","","","0.71073","MoKα","","0.0686","0.0468","","","0.1316","0.1511","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233733","15.8867","0.0005","6.2381","0.0002","15.1874","0.0004","90","","107.199","0.002","90","","1437.81","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)-3- phenylacrylonitrile","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BT5765","Govindan, Suresh; Vijayakumar, Sabari; Jayakumar, Srinivasan; Mannickam, Bakthadoss; Sanmargam, Aravindhan","(<i>E</i>)-2-({2-[(<i>E</i>)-(Hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylonitrile","Acta Crystallographica Section E","2012","68","3","o596","","10.1107/S1600536812003923","","","0.71073","MoKα","","0.0885","0.0492","","","0.1106","0.1307","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233734","10.6604","0.0006","15.7278","0.0007","10.8066","0.0005","90","","110.12","0.002","90","","1701.31","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Formyl-<i>c</i>-3,<i>t</i>-3-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","BT5783","Ravichandran, K.; Sakthivel, P.; Ramesh, P.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-Formyl-<i>c</i>-3,<i>t</i>-3-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2012","68","3","o870","","10.1107/S1600536812007015","","","0.71073","MoKα","","0.0697","0.0423","","","0.1091","0.125","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233735","7.879","0.005","8.45","0.005","13.438","0.005","80.629","0.005","85.273","0.005","75.352","0.005","853.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Nitro-1-phenylbutyl)-4-phenyl-1,2,3-selenadiazole","","- C18 H17 N3 O2 Se -","- C18 H17 N3 O2 Se -","- C36 H34 N6 O4 Se2 -","2","1","BT5784","Sankari, S.; Sugumar, P.; Manisankar, P.; Muthusubramanian, S.; Ponnuswamy, M. N.","5-(2-Nitro-1-phenylbutyl)-4-phenyl-1,2,3-selenadiazole","Acta Crystallographica Section E","2012","68","3","o871","","10.1107/S1600536812007027","","","0.71073","MoKα","","0.043","0.0316","","","0.0746","0.0785","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233736","5.8761","0.0003","9.0858","0.0005","17.7107","0.0009","90","","90","","90","","945.56","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7a<i>S</i>)-(‒)-Dimethyl(1-oxido-3-oxo-5,6,7,7a-tetrahydro-3<i>H</i>- pyrrolizin-2-yl)sulfonium","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C36 H52 N4 O8 S4 -","4","1","BT5793","Gutiérrez-Lazcano, Leonardo; Terán, Joel L.; Juárez, Jorge R.; Flores-Alamo, Marcos; Mendoza, Angel","(7a<i>S</i>)-(‒)-Dimethyl(1-oxido-3-oxo-5,6,7,7a-tetrahydro-3<i>H</i>-pyrrolizin-2-yl)sulfonium","Acta Crystallographica Section E","2012","68","3","o752","","10.1107/S1600536812003601","","","0.71073","MoKα","","0.0311","0.0274","","","0.0636","0.0648","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233737","8.3042","0.0019","14.642","0.003","10.37","0.002","90","","92.912","0.004","90","","1259.3","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Ethenyl-4-[(phenylsulfanyl)methyl]benzene","","- C15 H14 S -","- C15 H14 S -","- C60 H56 S4 -","4","1","BT5794","Avila-Sorrosa, Alcives; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","1-Ethenyl-4-[(phenylsulfanyl)methyl]benzene","Acta Crystallographica Section E","2012","68","3","o637","","10.1107/S1600536812002899","","","0.71073","MoKα","","0.0891","0.0567","","","0.1234","0.1403","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233738","9.575","0.003","12.248","0.004","17.814","0.005","106.12","0.03","90.42","0.03","98.74","0.03","1981","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dichloridobis[tris(2-methylphenoxy)phosphane-κ<i>P</i>]palladium(II)","","- C42 H42 Cl2 O6 P2 Pd -","- C42 H42 Cl2 O6 P2 Pd -","- C84 H84 Cl4 O12 P4 Pd2 -","2","1","BT5800","Błaszczyk, Izabela; Trzeciak, Anna M.; Gniewek, Andrzej","<i>cis</i>-Dichloridobis[tris(2-methylphenoxy)phosphane-κ<i>P</i>]palladium(II)","Acta Crystallographica Section E","2012","68","3","m270","m271","10.1107/S160053681200342X","","","0.71073","MoKα","","0.039","0.034","","","0.0913","0.0934","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233739","10.86","0.001","11.716","0.002","12.841","0.002","114.51","0.02","102.99","0.02","91.16","0.01","1436.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Methylbenzoyl)-2-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C56 H48 N8 O20 S4 -","4","2","BT5801","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methylbenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o572","","10.1107/S1600536812003522","","","0.71073","MoKα","","0.0798","0.0492","","","0.1008","0.1161","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233740","15.1569","0.0003","5.6333","0.0001","19.5468","0.0004","90","","109.295","0.002","90","","1575.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-3-phenyl-1-(pyridin-2-yl)propan-1-one","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","BT5803","Naveed Umar, Muhammad; Shoaib, Mohammad; Ng, Seik Weng","2-Benzyl-3-phenyl-1-(pyridin-2-yl)propan-1-one","Acta Crystallographica Section E","2012","68","3","o575","","10.1107/S1600536812003686","","","1.54184","CuKα","","0.0378","0.0364","","","0.0965","0.0979","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233741","8.0661","0.0003","12.49","0.0007","20.8047","0.0011","106.101","0.005","98.366","0.003","91.609","0.003","1987.17","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(Pyridin-2-yl)-2-[2-(trifluoromethyl)benzyl]- 3-[2-(trifluoromethyl)phenyl]propan-1-one","","- C23 H17 F6 N O -","- C23 H17 F6 N O -","- C92 H68 F24 N4 O4 -","4","2","BT5804","Naveed Umar, Muhammad; Shoaib, Mohammad; Ng, Seik Weng","1-(Pyridin-2-yl)-2-[2-(trifluoromethyl)benzyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one","Acta Crystallographica Section E","2012","68","3","o576","","10.1107/S1600536812003698","","","1.54184","CuKα","","0.0535","0.0503","","","0.1461","0.1505","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233742","7.1215","0.0003","14.5243","0.0006","11.9233","0.0005","90","","94.081","0.003","90","","1230.16","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Dioxido[<i>N</i>'-(2-oxidobenzylidene)pyridinium-4-carbohydrazidato- κ^3^<i>O</i>,<i>N</i>',<i>O</i>']vanadium(V)","","- C13 H10 N3 O4 V -","- C13 H10 N3 O4 V -","- C52 H40 N12 O16 V4 -","4","1","BT5805","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","<i>cis</i>-Dioxido[<i>N</i>'-(2-oxidobenzylidene)pyridinium-4-carbohydrazidato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>']vanadium(V)","Acta Crystallographica Section E","2012","68","3","m236","","10.1107/S1600536812003637","","","1.54184","CuKα","","0.0661","0.0644","","","0.17","0.1705","","","","","","1.255","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233743","8.0446","0.001","8.8031","0.0009","10.2809","0.001","90","","98.989","0.011","90","","719.12","0.14","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-<i>N</i>-(1-Benzothiophen-3-ylmethylidene)-2,6-dimethylaniline","","- C17 H15 N S -","- C17 H15 N S -","- C34 H30 N2 S2 -","2","1","BT5806","Kahveci Yağcı, Nermin; Dege, Necmi; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(<i>E</i>)-<i>N</i>-(1-Benzothiophen-3-ylmethylidene)-2,6-dimethylaniline","Acta Crystallographica Section E","2012","68","3","o623","o624","10.1107/S1600536812004151","","","0.71073","MoKα","","0.0478","0.04","","","0.0921","0.101","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233744","9.2961","0.0002","17.3529","0.0002","10.6201","0.0002","90","","115.269","0.003","90","","1549.25","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')(trichloroacetato-κ<i>O</i>)copper(II)]","","- C28 H16 Cl8 Cu2 N4 O4 -","- C28 H16 Cl8 Cu2 N4 O4 -","- C56 H32 Cl16 Cu4 N8 O8 -","2","0.5","BT5807","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","Di-μ-chlorido-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(trichloroacetato-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2012","68","3","m242","m243","10.1107/S1600536812003947","","","1.54184","CuKα","","0.0271","0.0255","","","0.069","0.0701","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233745","12.2408","0.0003","10.4427","0.0002","12.9099","0.0003","90","","101.951","0.001","90","","1614.47","0.06","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Fluorophenyl)-1-phenyl-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-5-amine","","- C20 H15 F N4 -","- C20 H15 F N4 -","- C80 H60 F4 N16 -","4","1","BT5808","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-(4-Fluorophenyl)-1-phenyl-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2012","68","3","o632","","10.1107/S1600536812004096","","","0.71073","MoKα","","0.0655","0.0479","","","0.1302","0.1387","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233746","8.5088","0.0014","9.8797","0.0011","10.4264","0.0014","79.906","0.01","78.764","0.01","86.245","0.009","845.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluorophenyl)-1-(4-nitrophenyl)-3-(pyridin-4-yl)-1<i>H</i>-pyrazol- 5-amine","","- C20 H14 F N5 O2 -","- C20 H14 F N5 O2 -","- C40 H28 F2 N10 O4 -","2","1","BT5809","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-(4-Fluorophenyl)-1-(4-nitrophenyl)-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2012","68","3","o633","","10.1107/S1600536812004102","","","1.54178","CuKα","","0.0865","0.0701","","","0.1922","0.2468","","","","","","1.183","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233747","8.928","0.0004","10.0923","0.0004","11.9044","0.0005","95.027","0.001","93.172","0.001","98.991","0.002","1052.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1'-Methyl-4'-phenyldispiro[chromane-3,3'-pyrrolidine-2',3''- indoline]-2,2''-dione","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","BT5810","Ganapathy, Jagadeesan; Damodharan, Kannan; Manickam, Bakthadoss; Sanmargam, Aravindhan; Krishnasamy, Gunasekaran","1'-Methyl-4'-phenyldispiro[chromane-3,3'-pyrrolidine-2',3''-indoline]-2,2''-dione","Acta Crystallographica Section E","2012","68","3","o915","","10.1107/S1600536812008288","","","0.71073","MoKα","","0.0948","0.0626","","","0.1658","0.1904","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233748","12.73","0.0016","12.73","0.0016","66.789","0.012","90","","90","","120","","9373","2","200","2","200","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","μ~3~-Chlorido-tris(bis{1-[2-(dimethylamino)ethyl]-3-methylimidazol-2- ylidene}silver(I)) dichloride","","- C16 H30 Ag Cl N6 -","- C16 H30 Ag Cl N6 -","- C288 H540 Ag18 Cl18 N108 -","18","","BT5811","Topf, Christoph; Leitner, Sebastian; Monkowius, Uwe","μ~3~-Chlorido-tris(bis{1-[2-(dimethylamino)ethyl]-3-methylimidazol-2-ylidene}silver(I)) dichloride","Acta Crystallographica Section E","2012","68","3","m272","","10.1107/S1600536812004473","","","0.71073","MoKα","","0.0422","0.0343","","","0.0894","0.0947","","","","","","1.028","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2233749","9.6796","0.0003","15.3312","0.0005","10.3593","0.0002","90","","108.149","0.002","90","","1460.84","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-Phenyl(2-phenylhydrazin-1-ylidene)methyl]phenol","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","BT5814","Howie, R. Alan; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","2-[(<i>E</i>)-Phenyl(2-phenylhydrazin-1-ylidene)methyl]phenol","Acta Crystallographica Section E","2012","68","3","o796","o797","10.1107/S1600536812005387","","","0.71073","MoKα","","0.0668","0.0505","","","0.1299","0.1414","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233750","7.9714","0.0003","13.5021","0.0007","12.1081","0.0005","90","","90.186","0.003","90","","1303.2","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{(<i>E</i>)-1-[2-(4-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C56 H52 N12 O16 -","4","1","BT5815","Howie, R. Alan; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","2-{(<i>E</i>)-1-[2-(4-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol","Acta Crystallographica Section E","2012","68","3","o685","o686","10.1107/S1600536812005399","","","0.71073","MoKα","","0.1347","0.0823","","","0.1543","0.1835","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233751","7.9262","0.0004","8.9078","0.0005","13.2331","0.0006","74.387","0.003","83.593","0.002","75.77","0.003","871.2","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (<i>Z</i>)-2-[(4-bromo-2-formylphenoxy)methyl]- 3-(4-methylphenyl)acrylate","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C38 H34 Br2 O8 -","2","1","BT5816","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (<i>Z</i>)-2-[(4-bromo-2-formylphenoxy)methyl]-3-(4-methylphenyl)acrylate","Acta Crystallographica Section E","2012","68","3","o775","","10.1107/S1600536812006630","","","0.71073","MoKα","","0.0658","0.0402","","","0.1055","0.1208","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233752","14.583","0.002","6.3366","0.0017","24.697","0.003","90","","93.598","0.014","90","","2277.7","0.7","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","12-{[4-(2-Fluorophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl- 3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H33 F N2 O4 -","- C25 H33 F N2 O4 -","- C100 H132 F4 N8 O16 -","4","2","BT5817","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Outouch, Rachid; Berraho, Moha","12-{[4-(2-Fluorophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2012","68","3","o741","o742","10.1107/S1600536812006411","","","0.71073","MoKα","","0.0743","0.0676","","","0.1916","0.1968","","","","","","1.119","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233753","6.1359","0.0005","4.7512","0.0004","21.31","0.003","90","","96.195","0.009","90","","617.62","0.11","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","(2<i>E</i>)-2-(4-Bromobenzylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","","- C16 H11 Br O -","- C16 H11 Br O -","- C32 H22 Br2 O2 -","2","1","BT5818","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-(4-Bromobenzylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","3","o755","","10.1107/S1600536812006654","","","0.71073","MoKα","","0.0445","0.0356","","","0.0636","0.0676","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233754","12.0236","0.0018","14.054","0.002","15.95","0.002","90","","107.796","0.002","90","","2566.3","0.6","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Hydroxyethyl)-1'-methyl-4'-(naphthalen-1-yl)-1'',2'',3'',4''-tetrahydrodispiro[indoline-3,2'-pyrrolidine-3',2''-naphthalene]-2,1''-dione","","- C33 H30 N2 O3 -","- C33 H30 N2 O3 -","- C132 H120 N8 O12 -","4","1","BT5819","Selvanayagam, S.; Sridhar, B.; Saravanan, P.; Raghunathan, R.","1-(2-Hydroxyethyl)-1'-methyl-4'-(naphthalen-1-yl)-1'',2'',3'',4''-tetrahydrodispiro[indoline-3,2'-pyrrolidine-3',2''-naphthalene]-2,1''-dione","Acta Crystallographica Section E","2012","68","3","o800","o801","10.1107/S1600536812006617","","","0.71073","MoKα","","0.0537","0.0439","","","0.1213","0.1302","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233755","6.8788","0.0009","7.9713","0.0009","21.119","0.003","86.76","0.01","86.48","0.01","79.45","0.01","1135.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Chloro-4-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C44 H48 Cl4 N4 O12 -","4","2","BT5820","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chloro-4-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","3","o835","","10.1107/S1600536812007623","","","0.71073","MoKα","","0.1323","0.0829","","","0.1412","0.159","","","","","","1.261","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233756","5.6401","0.0001","16.104","0.0002","11.3759","0.0002","90","","99.762","0.002","90","","1018.29","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-Bis[(<i>S</i>)-1-phenylethyl]-1<i>H</i>,5<i>H</i>- pyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetrone","","- C26 H20 N2 O4 -","- C26 H20 N2 O4 -","- C52 H40 N4 O8 -","2","1","BT5823","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.","2,6-Bis[(<i>S</i>)-1-phenylethyl]-1<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetrone","Acta Crystallographica Section E","2012","68","3","o907","","10.1107/S1600536812007684","","","1.5418","CuKα","","0.0326","0.0326","","","0.0992","0.0992","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233757","7.0473","0.0001","14.3274","0.0003","10.7796","0.0002","90","","96.921","0.002","90","","1080.48","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Acetyl-4-(phenylsulfanyl)imidazolidin-2-one","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","BT5824","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Acetyl-4-(phenylsulfanyl)imidazolidin-2-one","Acta Crystallographica Section E","2012","68","3","o908","","10.1107/S1600536812007908","","","1.5418","CuKα","","0.0284","0.0278","","","0.0727","0.0732","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233758","8.6585","0.0002","10.6744","0.0002","43.6607","0.0006","90","","92.114","0.002","90","","4032.56","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^2^-(7-Bromo-9-butyl-9<i>H</i>-carbazol-2-yl)-9,9-diethyl- <i>N</i>^2^,<i>N</i>^7^,<i>N</i>^7^-triphenyl-9<i>H</i>-fluorene-2,7-diamine","","- C51 H46 Br N3 -","- C51 H46 Br N3 -","- C204 H184 Br4 N12 -","4","1","BT5825","Baheti, Abhishek; Thomas, K. R. Justin; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>^2^-(7-Bromo-9-butyl-9<i>H</i>-carbazol-2-yl)-9,9-diethyl-<i>N</i>^2^,<i>N</i>^7^,<i>N</i>^7^-triphenyl-9<i>H</i>-fluorene-2,7-diamine","Acta Crystallographica Section E","2012","68","3","o860","o861","10.1107/S160053681200791X","","","1.54184","CuKα","","0.0509","0.0443","","","0.1072","0.1123","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233759","10.07","0.005","14.12","0.004","27.229","0.005","90","","90","","90","","3872","2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylnaphthalene-1-sulfonamide","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C168 H184 N8 O32 S8 -","8","1","BT5826","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylnaphthalene-1-sulfonamide","Acta Crystallographica Section E","2012","68","3","o890","","10.1107/S1600536812008203","","","0.71073","MoKα","","0.085","0.045","","","0.1004","0.1197","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233760","9.7187","0.0009","13.596","0.001","8.499","0.0009","90","","99.64","0.01","90","","1107.16","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chloro-3-nitrophenyl)maleamic acid","","- C10 H7 Cl N2 O5 -","- C10 H7 Cl N2 O5 -","- C40 H28 Cl4 N8 O20 -","4","1","BT5827","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chloro-3-nitrophenyl)maleamic acid","Acta Crystallographica Section E","2012","68","3","o873","","10.1107/S1600536812008021","","","0.71073","MoKα","","0.1006","0.0625","","","0.1549","0.1796","","","","","","0.972","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233761","13.501","0.002","10.3222","0.0015","14.889","0.002","90","","100.453","0.005","90","","2040.5","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1<i>H</i>-pyrazole-4- carboxylate dimethyl sulfoxide hemisolvate","","- C18 H16 Cl3 N4 O2.5 S0.5 -","- C18 H16 Cl3 N4 O2.5 S0.5 -","- C72 H64 Cl12 N16 O10 S2 -","4","2","BT5829","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1<i>H</i>-pyrazole-4-carboxylate dimethyl sulfoxide hemisolvate","Acta Crystallographica Section E","2012","68","3","o917","o918","10.1107/S1600536812008264","","","0.71069","MoKα","","0.1507","0.0679","","","0.1075","0.1329","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233762","13.834","0.003","6.4746","0.0013","9.4642","0.0018","90","","103.807","0.009","90","","823.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(2-bromo-2-methylpropanamide)","2-bromo-<i>N</i>-[4-(2-bromo-2-methylpropanamido)phenyl]-2-methylpropanamide","","- C14 H18 Br2 N2 O2 -","- C14 H18 Br2 N2 O2 -","- C28 H36 Br4 N4 O4 -","2","0.5","BV2195","Haridharan, N.; Ramkumar, V.; Dhamodharan, R.","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(2-bromo-2-methylpropanamide)","Acta Crystallographica Section E","2012","68","3","o811","","10.1107/S1600536812003479","","","0.71073","MoKα","","0.2336","0.0557","","","0.1015","0.1457","","","","","","0.937","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233763","17.9222","0.0007","17.9222","0.0007","7.8915","0.0006","90","","90","","90","","2534.8","0.2","291","2","291","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidotungstate(V)","","- C48 H40 N16 O12 Tb W -","- C48 H40 N16 O12 Tb W -","- C96 H80 N32 O24 Tb2 W2 -","2","0.25","BX2386","Shi, Yu-Sheng; Ran, Mao-Qian; Chen, Ying-Ying; Yuan, Ai-Hua","Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidotungstate(V)","Acta Crystallographica Section E","2012","68","3","m288","","10.1107/S1600536812005004","","","0.71073","MoKα","","0.0158","0.0138","","","0.036","0.037","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233764","13.3181","0.001","4.2677","0.0003","12.4795","0.001","90","","95.143","0.006","90","","706.45","0.09","120","0.14","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>H</i>-Benzimidazol-1-yl)methanol","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C32 H32 N8 O4 -","4","1","BX2398","Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","(1<i>H</i>-Benzimidazol-1-yl)methanol","Acta Crystallographica Section E","2012","68","3","o615","","10.1107/S1600536812004114","","","1.5418","CuKα","","0.0443","0.0394","","","0.102","0.1052","","","","","","1.78","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233765","18.426","0.004","6.9082","0.0014","18.583","0.004","90","","111.98","0.03","90","","2193.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[pentaaqua(μ~4~-pyridine-2,4,6-tricarboxylato)(μ~3~-pyridine-2,4,6- tricarboxylato)disamarium(III)] monohydrate]","","- C16 H16 N2 O18 Sm2 -","- C16 H16 N2 O18 Sm2 -","- C64 H64 N8 O72 Sm8 -","4","1","CV5233","Jin, Yong-Wei; Zhu, Hong-lin","Poly[[pentaaqua(μ~4~-pyridine-2,4,6-tricarboxylato)(μ~3~-pyridine-2,4,6-tricarboxylato)disamarium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","3","m287","","10.1107/S1600536812002462","","","0.71073","MoKα","","0.0202","0.0183","","","0.0404","0.0408","","","","","","1.188","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233766","6.7032","0.0002","17.0523","0.0004","13.5406","0.0003","90","","100.194","0.003","90","","1523.33","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)cobalt(II) bis(3-hydroxybenzoate) tetrahydrate","","- C26 H38 Co N4 O16 -","- C26 H38 Co N4 O16 -","- C52 H76 Co2 N8 O32 -","2","0.5","CV5239","Zaman, İIbrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>trans</i>-Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)cobalt(II) bis(3-hydroxybenzoate) tetrahydrate","Acta Crystallographica Section E","2012","68","3","m249","m250","10.1107/S1600536812003911","","","0.71073","MoKα","","0.0356","0.0338","","","0.085","0.0857","","","","","","1.227","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233767","8.1743","0.0004","16.6121","0.0009","9.0856","0.0005","90","","90","","90","","1233.75","0.11","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,2,3-Trimethoxy-4,5,6-trinitrobenzene","","- C9 H9 N3 O9 -","- C9 H9 N3 O9 -","- C36 H36 N12 O36 -","4","1","CV5240","Merten, Günter J.; Neis, Christian; Hegetschweiler, Kaspar","1,2,3-Trimethoxy-4,5,6-trinitrobenzene","Acta Crystallographica Section E","2012","68","3","o694","","10.1107/S1600536812004783","","","0.71073","MoKα","","0.052","0.0344","","","0.0724","0.0806","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233768","6.7612","0.0014","10.878","0.002","10.297","0.002","90","","92.75","0.03","90","","756.5","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,6-dinitropyrogallol","4,6-Dinitrobenzene-1,2,3-triol","","- C6 H4 N2 O7 -","- C6 H4 N2 O7 -","- C24 H16 N8 O28 -","4","1","CV5241","Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar","4,6-Dinitropyrogallol","Acta Crystallographica Section E","2012","68","3","o695","","10.1107/S1600536812004771","","","0.71073","MoKα","","0.0346","0.0313","","","0.087","0.0889","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233769","24.871","0.002","10.235","0.001","23.855","0.002","90","","103.646","0.002","90","","5901","0.9","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","<i>N</i>'-(2-Hydroxy-4-methoxybenzylidene)-4-methylbenzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C256 H256 N32 O48 -","16","4","CV5243","Zhang, Yan; Liu, Min; Ma, Jing-Jun","<i>N</i>'-(2-Hydroxy-4-methoxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","3","o679","o680","10.1107/S1600536812005156","","","0.71073","MoKα","","0.1939","0.0831","","","0.1708","0.2238","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233770","4.8097","0.0008","7.3909","0.0009","16.147","0.002","85.15","0.01","85.86","0.01","89.57","0.01","570.45","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-Chloro-4-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C22 H24 Cl2 N2 O6 -","2","1","CV5244","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chloro-4-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","3","o785","","10.1107/S1600536812005648","","","0.71073","MoKα","","0.0677","0.0528","","","0.1108","0.12","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233771","16.8944","0.0014","4.1959","0.0005","27.107","0.002","90","","96.084","0.008","90","","1910.7","0.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Methylphenyl)-5-[({[5-(4-methylphenyl)-1,3,4-thiadiazol-2- yl]sulfanyl}methyl)sulfanyl]-1,3,4-thiadiazole","","- C19 H16 N4 S4 -","- C19 H16 N4 S4 -","- C76 H64 N16 S16 -","4","1","CV5245","Wang, Yong; Zhang, Wen-ge; Wang, Yu-bo; Yu, Jing-wen; Zhou, Lin","2-(4-Methylphenyl)-5-[({[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E","2012","68","3","o851","","10.1107/S1600536812007520","","","0.71073","MoKα","","0.0921","0.0572","","","0.1185","0.1417","","","","","","0.958","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233772","15.8432","0.0017","6.9942","0.0008","13.1975","0.0014","90","","90","","90","","1462.4","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-[(2-Chlorophenyl)iminomethyl]-4,6-diiodophenol","","- C13 H8 Cl I2 N O -","- C13 H8 Cl I2 N O -","- C52 H32 Cl4 I8 N4 O4 -","4","0.5","CV5247","Ji, Hao; Yang, Yong-An; Ma, Hua-Ping; Zhu, Hai-Liang","2-[(2-Chlorophenyl)iminomethyl]-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o841","","10.1107/S1600536812007325","","","0.71073","MoKα","","0.0423","0.0387","","","0.1385","0.1436","","","","","","0.976","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233773","8.2678","0.0007","8.5268","0.0006","8.5965","0.0007","92.65","0.006","116.592","0.008","104.045","0.007","517.28","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-Methylxanthen-9-one","","- C14 H10 O2 -","- C14 H10 O2 -","- C28 H20 O4 -","2","1","CV5249","Vinutha, N.; Anthal, Sumati; Ranganatha, V. Lakshmi; Khanum, Shaukath Ara; Revannasiddaiah, D.; Kant, Rajni; Gupta, Vivek K.","2-Methylxanthen-9-one","Acta Crystallographica Section E","2012","68","3","o872","","10.1107/S1600536812007702","","","0.71073","MoKα","","0.0884","0.0516","","","0.13","0.1517","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233774","7.709","0.0015","25.62","0.005","6.3624","0.0013","90","","112.08","0.03","90","","1164.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridine‒2-methoxybenzoic acid (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","0.5","DS2171","Qian, Xiao-Yan; Liu, Feng-Zhi","4,4'-Bipyridine‒2-methoxybenzoic acid (1/2)","Acta Crystallographica Section E","2012","68","3","o597","","10.1107/S1600536812003194","","","0.71073","MoKα","","0.0661","0.0522","","","0.1444","0.1537","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233775","6.7066","0.0007","11.9033","0.0011","30.322","0.004","90","","90","","90","","2420.6","0.5","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Hydroxy-12-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl- 3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C26 H36 N2 O5 -","- C26 H36 N2 O5 -","- C104 H144 N8 O20 -","4","1","DS2172","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Mellouki, Fouad; Berraho, Moha","9α-Hydroxy-12-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2012","68","3","o589","o590","10.1107/S1600536812003662","","","0.71073","MoKα","","0.0821","0.0548","","","0.116","0.1302","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233776","10.974","0.003","9.662","0.002","14.45","0.004","90","","105.059","0.015","90","","1479.5","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ergotaminine","(6a<i>R</i>,9<i>S</i>)-<i>N</i>-[(2<i>R</i>,5<i>S</i>,10a<i>S</i>, 10b<i>S</i>)-5-Benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8<i>H</i>- oxazolo[3,2-<i>a</i>]pyrrolo[2,1-<i>c</i>]pyrazin-2-yl]-7-methyl- 4,6,6a,7,8,9-hexahydroindolo[4,3-<i>fg</i>]quinoline-9-carboxamide","","- C33 H35 N5 O5 -","- C33 H35 N5 O5 -","- C66 H70 N10 O10 -","2","1","DS2173","Merkel, Stefan; Köppen, Robert; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Ergotaminine","Acta Crystallographica Section E","2012","68","3","o610","o611","10.1107/S1600536812003674","","","0.71073","MoKα","","0.0633","0.0466","","","0.0862","0.0926","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233777","11.015","0.002","17.995","0.003","16.128","0.003","90","","90","","90","","3196.8","1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato](1,10- phenanthroline)nickel(II)","","- C32 H26 N10 Ni O4 S2 -","- C32 H26 N10 Ni O4 S2 -","- C128 H104 N40 Ni4 O16 S8 -","4","1","EZ2279","Hu, Xiu-Feng; Bing, Yue; Li, Xing; Kong, Zu-Ping","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato](1,10-phenanthroline)nickel(II)","Acta Crystallographica Section E","2012","68","3","m348","m349","10.1107/S1600536812008185","","","0.71073","MoKα","","0.0722","0.044","","","0.0965","0.1101","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233778","6.389","0.004","7.608","0.005","8.311","0.005","103.96","0.05","91.67","0.05","102.97","0.05","380.6","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-2,3-Bis[(<i>E</i>)-benzylideneamino]but-2-enedinitrile","","- C18 H12 N4 -","- C18 H12 N4 -","- C18 H12 N4 -","1","0.5","EZ2280","Akerman, Matthew P.; Maher, Sarah J.","(<i>E</i>)-2,3-Bis[(<i>E</i>)-benzylideneamino]but-2-enedinitrile","Acta Crystallographica Section E","2012","68","3","o688","","10.1107/S1600536812005363","","","0.71073","MoKα","","0.0663","0.0447","","","0.11","0.1166","","","","","","0.894","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233779","8.8172","0.0008","32.669","0.003","7.69","0.0007","90","","94.901","0.002","90","","2207","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferasirox","4-[3,5-Bis(2-hydroxyphenyl)-1<i>H</i>-1,2,4-triazol-1-yl]benzoic acid dimethylformamide monosolvate","","- C24 H22 N4 O5 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","EZ2281","Fun, Hoong-Kun; Chantrapromma, Suchada; Dayananda, A. S.; Yathirajan, H. S.; Thomas, Saji","4-[3,5-Bis(2-hydroxyphenyl)-1<i>H</i>-1,2,4-triazol-1-yl]benzoic acid dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","3","o792","o793","10.1107/S1600536812005806","","","0.71073","MoKα","","0.0904","0.0579","","","0.1245","0.1435","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233780","6.5766","0.0005","4.8877","0.0004","18.2211","0.0013","90","","98.316","0.007","90","","579.55","0.08","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>-Benzylisatin","1-benzylindoline-2,3-dione","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","EZ2282","Schutte, M.; Visser, H. G.; Roodt, A.; Braband, H.","<i>N</i>-Benzylisatin","Acta Crystallographica Section E","2012","68","3","o777","","10.1107/S1600536812006575","","","0.71073","MoKα","","0.1242","0.0621","","","","0.1282","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233781","11.2458","0.0004","13.5995","0.0005","15.3604","0.0006","73.345","0.002","84.623","0.002","82.842","0.002","2228.92","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium benzenesulfonate monohydrate","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C92 H108 N4 O28 S4 -","4","2","EZ2283","Fun, Hoong-Kun; Chantrapromma, Suchada; Ruanwas, Pumsak; Anantapong, Teerasak; Boonnak, Nawong","1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium benzenesulfonate monohydrate","Acta Crystallographica Section E","2012","68","3","o898","o899","10.1107/S1600536812007805","","","0.71073","MoKα","","0.1099","0.0664","","","0.1566","0.1795","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233782","8.3945","0.0009","18.433","0.002","7.8686","0.001","90","","100.044","0.002","90","","1198.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-4,4'-Bipyridine-bis[aqua(4-hydroxypyridine-2,6-dicarboxylato)copper(II)]","","- C24 H18 Cu2 N4 O12 -","- C24 H18 Cu2 N4 O12 -","- C48 H36 Cu4 N8 O24 -","2","0.5","FF2054","Chen, Xiao-Li; Qiao, Ya-Li; Gao, Lou-Jun; Cui, Hua-Li; Zhang, Mei-Li","μ-4,4'-Bipyridine-bis[aqua(4-hydroxypyridine-2,6-dicarboxylato)copper(II)]","Acta Crystallographica Section E","2012","68","3","m326","m327","10.1107/S1600536812004758","","","0.71073","MoKα","","0.0575","0.045","","","0.0967","0.1033","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233783","5.8258","0.0012","9.4916","0.0019","24.35","0.005","90","","92.37","0.03","90","","1345.3","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(<i>tert</i>-butoxycarbonyl)amino]thiazole-5-carboxylate","","- C11 H16 N2 O4 S -","- C11 H16 N2 O4 S -","- C44 H64 N8 O16 S4 -","4","1","FF2055","Wang, Weisong; Zhong, Bohua; Shi, Weiguo","Ethyl 2-[(<i>tert</i>-butoxycarbonyl)amino]thiazole-5-carboxylate","Acta Crystallographica Section E","2012","68","3","o747","","10.1107/S1600536812005971","","","0.71073","MoKα","","0.0751","0.0544","","","0.1351","0.1546","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233784","9.5537","0.0019","11.3","0.002","11.686","0.002","77.03","0.03","87.01","0.03","88.65","0.03","1227.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(1-Cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2,4,5-tricarboxybenzene-1-carboxylate monohydrate","","- C26 H26 F N3 O10 -","- C26 H26 F N3 O10 -","- C52 H52 F2 N6 O20 -","2","1","FF2056","Yan, Shi-Wei; Liang, Yan-Chen; Liao, Qin; Xin, Guang-Hua; Ye, Zhong-Li","4-(1-Cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2,4,5-tricarboxybenzene-1-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","3","o919","","10.1107/S1600536812008392","","","0.71073","MoKα","","0.0691","0.0496","","","0.1469","0.1594","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233785","14.36","0.004","18.855","0.006","17.919","0.005","90","","96.5","0.03","90","","4821","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[μ-Bis(diphenylphosphanyl)methane]tricarbonyl(μ-<i>p</i>- toluenesulfonylmethyl isocyanato)(triphenylphosphane)ironplatinum(<i>Fe</i>—<i>Pt</i>)","","- C55 H46 Fe N O5 P3 Pt S -","- C55 H46 Fe N O5 P3 Pt S -","- C220 H184 Fe4 N4 O20 P12 Pt4 S4 -","4","1","FI2121","Jourdain, Isabelle; Knorr, Michael; Koller, Stephan G.; Strohmann, Carsten","[μ-Bis(diphenylphosphanyl)methane]tricarbonyl(μ-<i>p</i>-toluenesulfonylmethyl isocyanato)(triphenylphosphane)ironplatinum(<i>Fe</i>—<i>Pt</i>)","Acta Crystallographica Section E","2012","68","3","m331","m332","10.1107/S1600536812004023","","","0.71073","MoKα","","0.0521","0.0385","","","0.0862","0.0902","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233786","6.036","0.003","7.603","0.003","8.906","0.004","98.386","0.006","99.742","0.003","96.802","0.005","394.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquadi-μ~4~-oxalato-μ~2~-oxalato-dineodymium(III)] dihydrate]","","- C6 H12 Nd2 O18 -","- C6 H12 Nd2 O18 -","- C6 H12 Nd2 O18 -","1","0.5","FI2122","Cao, Gao-Juan; Rong, Cheng; Li, Qing-lu; Jiang, Wen-Jing","Poly[[tetraaquadi-μ~4~-oxalato-μ~2~-oxalato-dineodymium(III)] dihydrate]","Acta Crystallographica Section E","2012","68","3","m289","","10.1107/S1600536812005016","","","0.71073","MoKα","","0.0218","0.019","","","0.0435","0.0446","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233787","22.8275","0.0005","12.9547","0.0003","10.1512","0.0003","90","","92.095","0.002","90","","2999.94","0.13","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']]","","- C28 H32 Cl2 Hg N2 O4 S -","- C28 H32 Cl2 Hg N2 O4 S -","- C112 H128 Cl8 Hg4 N8 O16 S4 -","4","1","FI2124","Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe","<i>catena</i>-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']]","Acta Crystallographica Section E","2012","68","3","m340","","10.1107/S1600536812006927","","","0.71073","MoKα","","0.0467","0.0455","","","0.1189","0.1211","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233788","36.1068","0.0001","6.8748","0.0001","8.4813","0.0004","90","","90","","90","","2105.29","0.1","90","0.2","90","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>Z</i>)-2-{2,4-Dimethoxy-6-[(<i>E</i>)-4- methoxystyryl]benzylidene}quinuclidin-3-one","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","FJ2476","Madadi, Nikhil Reddy; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-{2,4-Dimethoxy-6-[(<i>E</i>)-4-methoxystyryl]benzylidene}quinuclidin-3-one","Acta Crystallographica Section E","2012","68","3","o730","","10.1107/S1600536812005843","","","0.71073","MoKα","","0.0406","0.0351","","","0.087","0.0904","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233789","11.0091","0.0012","9.9741","0.001","14.689","0.0016","90","","109.269","0.012","90","","1522.6","0.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl- 1,3-diazinane-5-carboxylate","","- C14 H14 F4 N2 O3 S -","- C14 H14 F4 N2 O3 S -","- C56 H56 F16 N8 O12 S4 -","4","1","FJ2501","Huang, Bao-Jun; Zhu, Lei; He, Qin","Ethyl 6-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate","Acta Crystallographica Section E","2012","68","3","o880","","10.1107/S1600536812007465","","","0.71073","MoKα","","0.041","0.0334","","","0.0805","0.0835","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233790","8.0253","0.0019","16.208","0.004","12.807","0.003","90","","105.033","0.006","90","","1608.8","0.7","123.1","","123.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-4,7-dimethyl-4,7-diazadecane-1,10-dithiolato)trinickel(II) bis(perchlorate)","","- C20 H44 Cl2 N4 Ni3 O8 S4 -","- C20 H44 Cl2 N4 Ni3 O8 S4 -","- C40 H88 Cl4 N8 Ni6 O16 S8 -","2","0.5","FJ2508","Hirotsu, Masakazu; Kuwamura, Naoto; Kinoshita, Isamu; Kojima, Masaaki; Yoshikawa, Yuzo","Bis(μ~2~-4,7-dimethyl-4,7-diazadecane-1,10-dithiolato)trinickel(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","3","m307","","10.1107/S1600536812006034","","","0.71075","MoKα","","0.037","0.0347","","","","0.0819","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233791","10.8049","0.001","10.5497","0.0015","16.4936","0.0016","90","","97.141","0.008","90","","1865.5","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-3-[(Anilino)(naphthalen-2-yl)methyl]thian-4-one","","- C22 H21 N O S -","- C22 H21 N O S -","- C88 H84 N4 O4 S4 -","4","1","FJ2509","Harms, Klaus; Abaee, M. Saeed; Mojtahedi, Mohammad M.; Mesbah, A. Wahid","<i>rac</i>-3-[(Anilino)(naphthalen-2-yl)methyl]thian-4-one","Acta Crystallographica Section E","2012","68","3","o749","","10.1107/S1600536812005983","","","0.71073","MoKα","","0.0573","0.0327","","","0.0702","0.0743","","","","","","0.785","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233792","5.8222","0.0004","15.5982","0.001","10.7299","0.0009","90","","97.693","0.006","90","","965.67","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","1:1 Dapsone-3,5-dinitrobenzoic acid adduct","4-[(4-Aminophenyl)sulfonyl]aniline‒3,5-dinitrobenzoic acid (1/1)","","- C19 H16 N4 O8 S -","- C19 H16 N4 O8 S -","- C38 H32 N8 O16 S2 -","2","1","FJ2510","Smith, Graham; Wermuth, Urs D.","4-[(4-Aminophenyl)sulfonyl]aniline‒3,5-dinitrobenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","3","o669","","10.1107/S1600536812004709","","","0.71073","MoKα","","0.0875","0.0557","","","0.0945","0.102","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233793","8.3052","0.0007","9.212","0.0007","11.05","0.0009","68.341","0.002","79.127","0.003","84.913","0.002","771.45","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Bis{μ-2-[bis(pyridin-2- yl)methylidene]hydrazinecarbothioamidato}bis[bromidocopper(II)] methanol disolvate","","- C26 H28 Br2 Cu2 N10 O2 S2 -","- C26 H28 Br2 Cu2 N10 O2 S2 -","- C26 H28 Br2 Cu2 N10 O2 S2 -","1","0.5","FJ2511","Kunnath, Roji J.; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Natarajan, Aiswarya; Aravindakshan, A. Ambili","Bis{μ-2-[bis(pyridin-2-yl)methylidene]hydrazinecarbothioamidato}bis[bromidocopper(II)] methanol disolvate","Acta Crystallographica Section E","2012","68","3","m346","m347","10.1107/S1600536812005934","","","0.71073","MoKα","","0.0393","0.0335","","","0.0891","0.0939","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233794","7.4939","0.0008","19.446","0.002","7.0227","0.0007","90","","90","","90","","1023.39","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(3-Aminopyridinium-1-yl)-3-carboxypropanoate monohydrate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","1","FJ2513","Millán Corrales, Guadalupe; Morales-Morales, David; Hernández-Ortega, Simón; Campos-Gaxiola, José J.; Cruz Enríquez, Adriana","2-(3-Aminopyridinium-1-yl)-3-carboxypropanoate monohydrate","Acta Crystallographica Section E","2012","68","3","o853","","10.1107/S1600536812006897","","","0.71073","MoKα","","0.033","0.0281","","","0.0562","0.0575","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233795","5.7883","0.0004","11.412","0.001","13.1312","0.0012","75.194","0.004","86.493","0.003","83.489","0.003","832.72","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(2<i>E</i>)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-<i>N</i>- cyclohexylhydrazinecarbothioamide","","- C15 H20 Br N3 O2 S -","- C15 H20 Br N3 O2 S -","- C30 H40 Br2 N6 O4 S2 -","2","1","FJ2514","Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra","(2<i>E</i>)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-<i>N</i>-cyclohexylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","3","o836","o837","10.1107/S1600536812007039","","","0.71073","MoKα","","0.0418","0.0347","","","0.0929","0.098","","","","","","1.119","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233796","12.7946","0.0005","3.9373","0.0001","29.8209","0.001","90","","109.219","0.003","90","","1418.54","0.09","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(3-Bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Br O3 -","- C17 H15 Br O3 -","- C68 H60 Br4 O12 -","4","1","FJ2515","Escobar, Carlos A.; Trujillo, Alexander; Howard, Judith A. K.; Fuentealba, Mauricio","(<i>E</i>)-1-(3-Bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o887","","10.1107/S1600536812006836","","","0.7107","MoKα","","0.0544","0.0405","","","0.0695","0.0739","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233797","10.102","0.0001","10.1106","0.0001","12.3886","0.0001","104.719","0.001","98.275","0.001","102.167","0.001","1169.94","0.02","100","1","100","","","","","","","","","4","P -1","-P 1","2","","2-[3,5-Bis(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]- 4,6-bis(4-fluorophenyl)pyrimidine","","- C31 H20 F4 N4 -","- C31 H20 F4 N4 -","- C62 H40 F8 N8 -","2","1","FJ2517","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","2-[3,5-Bis(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4,6-bis(4-fluorophenyl)pyrimidine","Acta Crystallographica Section E","2012","68","3","o807","o808","10.1107/S1600536812006976","","","0.71073","MoKα","","0.0614","0.0458","","","0.1205","0.1324","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233798","8.1578","0.0003","11.8183","0.0005","10.8526","0.0006","90","","103.869","0.002","90","","1015.81","0.08","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichloridobis(thiourea-κ<i>S</i>)nickel(II)","","- C2 H8 Cl2 N4 Ni S2 -","- C2 H8 Cl2 N4 Ni S2 -","- C8 H32 Cl8 N16 Ni4 S8 -","4","1","FJ2518","Zouihri, Hafid","Dichloridobis(thiourea-κ<i>S</i>)nickel(II)","Acta Crystallographica Section E","2012","68","3","m314","","10.1107/S1600536812006174","","","0.71073","MoKα","","0.0167","0.0165","","","0.0448","0.0449","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233799","12.6362","0.0004","8.3655","0.0002","17.4913","0.0005","90","","113.128","0.004","90","","1700.37","0.1","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Amino-4-bromo-2,3-dihydro-1<i>H</i>-inden-1-one","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C72 H64 Br8 N8 O8 -","8","1","FJ2519","Çelik, Ísmail; Akkurt, Mehmet; Yılmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan; García-Granda, Santiago","5-Amino-4-bromo-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","3","o833","","10.1107/S1600536812007489","","","1.5418","CuKα","","0.0499","0.0491","","","0.1321","0.1335","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233800","13.0321","0.0009","6.7332","0.0004","17.3091","0.001","90","","104.479","0.003","90","","1470.6","0.16","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-tryptophan tris(p-nitrophenol)","L-Tryptophan 4-nitrophenol trisolvate","","- C29 H27 N5 O11 -","- C29 H27 N5 O11 -","- C58 H54 N10 O22 -","2","1","FK2052","Rodrigues, V. H.; Costa, M. M. R. R.; Belsley, M.; de Matos Gomes, E.","<small>L</small>-Tryptophan 4-nitrophenol trisolvate","Acta Crystallographica Section E","2012","68","3","o920","","10.1107/S1600536812007817","","","0.71073","MoKα","","0.0648","0.0348","","","0.0876","0.1005","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233801","12.377","0.002","13.201","0.002","17.474","0.003","87.812","0.003","89.045","0.003","64.652","0.002","2578.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Bromo-2-methoxy-6-(1-phenyl-1<i>H</i>-benzimidazol-2-yl)phenol","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C120 H90 Br6 N12 O12 -","6","3","FY2036","Zhao, Shunsheng; Liu, Xiangrong; Lü, Xingqiang; Feng, Weixu","4-Bromo-2-methoxy-6-(1-phenyl-1<i>H</i>-benzimidazol-2-yl)phenol","Acta Crystallographica Section E","2012","68","3","o852","","10.1107/S1600536812007313","","","0.71073","MoKα","","0.1413","0.0593","","","0.1345","0.1779","","","","","","0.906","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233802","14.504","0.004","9.272","0.003","8.361","0.003","90","","106.75","0.01","90","","1076.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-({[(<i>E</i>)-Benzylideneamino]oxy}methyl)-1,3,4-thiadiazol-2-amine","","- C10 H10 N4 O S -","- C10 H10 N4 O S -","- C40 H40 N16 O4 S4 -","4","1","FY2038","Yin, Weiyan; Wang, Zhi; Yang, Zi-Wen","5-({[(<i>E</i>)-Benzylideneamino]oxy}methyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2012","68","3","o769","","10.1107/S1600536812003893","","","0.71073","MoKα","","0.044","0.0414","","","0.1075","0.1101","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233803","6.6993","0.00014","13.8834","0.0002","7.10677","0.00009","90","","91.7805","0.0011","90","","660.675","0.019","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Hydrazinylnicotinic acid","6-Hydrazinylpyridine-3-carboxylic acid","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","FY2040","Rukiah, Mwaffak; Arfan, Atef","6-Hydrazinylnicotinic acid: a powder study","Acta Crystallographica Section E","2012","68","3","o783","o784","10.1107/S160053681200637X","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.42","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233804","5.574","0.0001","10.4354","0.0002","11.3997","0.0002","83.586","0.001","77.453","0.001","87.688","0.001","643.11","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2-Oxime-3-(methylbenzene-1-sulfonohydrazide)butane","<i>N</i>'-[3-(Hydroxyimino)butan-2-ylidene]-4-methylbenzene-1-sulfonohydrazide","","- C11 H15 N3 O3 S -","- C11 H15 N3 O3 S -","- C22 H30 N6 O6 S2 -","2","1","FY2042","Bulhosa, Maria C. S.; Gervini, Vanessa Carratu; Bresolin, Leandro; Locatelli, Aline; de Oliveira, Adriano Bof","<i>N</i>'-[3-(Hydroxyimino)butan-2-ylidene]-4-methylbenzene-1-sulfonohydrazide","Acta Crystallographica Section E","2012","68","3","o592","","10.1107/S1600536812003339","","","0.71073","MoKα","","0.0404","0.0358","","","0.1073","0.1124","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233805","5.2804","0.0001","6.9458","0.0002","12.4262","0.0003","81.392","0.001","82.874","0.001","85.193","0.001","446.147","0.019","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(Ammoniomethyl)pyridinium sulfate monohydrate","","- C6 H12 N2 O5 S -","- C6 H12 N2 O5 S -","- C12 H24 N4 O10 S2 -","2","1","FY2043","Schutte, M.; Visser, H. G.; Roodt, A.","2-(Ammoniomethyl)pyridinium sulfate monohydrate","Acta Crystallographica Section E","2012","68","3","o914","","10.1107/S1600536812007714","","","0.71073","MoKα","","0.0279","0.0268","","","","0.0752","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233806","4.1558","0.0001","25.779","0.0005","11.2213","0.0002","90","","96.623","0.001","90","","1194.14","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{4-[(Pyridin-2-yl)methylideneamino]phenyl}acetic acid","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","FY2044","Zheng, Zhen Nu; Lee, Soon W.","(<i>E</i>)-2-{4-[(Pyridin-2-yl)methylideneamino]phenyl}acetic acid","Acta Crystallographica Section E","2012","68","3","o774","","10.1107/S1600536812006472","","","0.71073","MoKα","","0.0622","0.0423","","","0.1093","0.1197","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233807","17.663","0.002","6.2371","0.0006","15.2357","0.0016","90","","107.717","0.013","90","","1598.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6<i>Z</i>)-3,5-Bis(4-fluorophenyl)-6-(1-hydroxyethylidene)cyclohex-2-en-1-one","","- C20 H16 F2 O2 -","- C20 H16 F2 O2 -","- C80 H64 F8 O8 -","4","1","GG2071","Jasinski, Jerry P.; Golen, James A.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","(6<i>Z</i>)-3,5-Bis(4-fluorophenyl)-6-(1-hydroxyethylidene)cyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o638","o639","10.1107/S1600536812003078","","","1.54178","CuKα","","0.0687","0.048","","","0.1267","0.147","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233808","6.8502","0.0006","6.5705","0.0007","17.6761","0.0015","90","","98.432","0.008","90","","786.99","0.13","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C36 H38 N6 O6 -","2","0.5","GG2074","El-Emam, Ali A.; Kadi, Adnan A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2012","68","3","o795","","10.1107/S1600536812005302","","","0.71073","MoKα","","0.0675","0.0465","","","0.1076","0.123","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233809","5.8031","0.0001","13.4281","0.0002","22.4853","0.0004","90","","93.115","0.002","90","","1749.57","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl thiophene-2-carboxylate","","- C21 H16 N2 O3 S -","- C21 H16 N2 O3 S -","- C84 H64 N8 O12 S4 -","4","1","GG2075","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl thiophene-2-carboxylate","Acta Crystallographica Section E","2012","68","3","o756","o757","10.1107/S1600536812006459","","","1.5418","CuKα","","0.0391","0.033","","","0.0857","0.0907","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233810","6.4565","0.0014","18.874","0.004","10.449","0.002","90","","90.485","0.005","90","","1273.3","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^)[μ-1,2-bis(imidazol-1- yl)ethane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]cadmium]","","- C8 H10 Cd N10 -","- C8 H10 Cd N10 -","- C32 H40 Cd4 N40 -","4","1","GK2436","Li, Hai-Yan; Sun, Peng-Peng; Li, Bao-Long","Poly[bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^)[μ-1,2-bis(imidazol-1-yl)ethane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]cadmium]","Acta Crystallographica Section E","2012","68","3","m253","m254","10.1107/S1600536812004370","","","0.7107","MoKα","","0.0255","0.0227","","","0.0545","0.0559","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233811","10.4052","0.0007","53.019","0.003","10.0786","0.0006","90","","90","","90","","5560.1","0.6","118","2","118","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1D-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2,3,6-<i>O</i>- tris(methoxymethylene)-<i>myo</i>-inositol 4,5-bis(dibenzylphosphate)","tetrabenzyl (1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-4-(<i>tert</i>- butyldiphenylsilyloxy)-3,5,6-tris(methoxymethoxy)cyclohexane-1,2-diyl bisphosphate","","- C56 H68 O15 P2 Si -","- C56 H68 O15 P2 Si -","- C224 H272 O60 P8 Si4 -","4","1","GK2443","Anderson, Regan J.; Gainsford, Graeme J.","1<small>D</small>-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2,3,6-<i>O</i>-tris(methoxymethylene)-<i>myo</i>-inositol 4,5-bis(dibenzylphosphate)","Acta Crystallographica Section E","2012","68","3","o900","","10.1107/S1600536812008069","","","0.71073","MoKα","","0.0791","0.0707","","","0.1754","0.1809","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233812","27.604","0.014","6.205","0.003","16.087","0.008","90","","120.309","0.006","90","","2379","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(pyridin-4-ylmethyl 1<i>H</i>-pyrrole-2-carboxylate-κ<i>N</i>)zinc","","- C22 H20 Cl2 N4 O4 Zn -","- C22 H20 Cl2 N4 O4 Zn -","- C88 H80 Cl8 N16 O16 Zn4 -","4","0.5","GK2445","Li, Can; Zhang, Guilong; Yin, Zhenming","Dichloridobis(4-pyridylmethyl 1<i>H</i>-pyrrole-2-carboxylate-κ<i>N</i>)zinc","Acta Crystallographica Section E","2012","68","3","m323","","10.1107/S1600536812001353","","","0.71073","MoKα","","0.0287","0.0237","","","0.0668","0.0688","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233813","14.7667","0.0008","11.989","0.0006","9.7419","0.0005","90","","127.424","0.0005","90","","1369.68","0.12","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,7-Diiodo-1,4-dioxo-1<i>H</i>,4<i>H</i>-2aλ^3^-ioda-2,3- dioxacyclopenta[<i>cd</i>]indene-6-carboxylic acid dihydrate","8,10-diiodo-2,6-dioxo-4λ^3^-ioda-3,5-dioxatricyclo[5.3.1.0^4,11^]undeca- 1(11),7,9-triene-9-carboxylic acid","","- C9 H5 I3 O8 -","- C9 H5 I3 O8 -","- C36 H20 I12 O32 -","4","0.5","GK2447","Sheng, Daopeng; Han, Lu; Zhang, Yi; Yang, Yanzhao","8,10-Diiodo-2,6-dioxo-4λ^3^-ioda-3,5-dioxatricyclo[5.3.1.0^4,11^]undeca-1(11),7,9-triene-9-carboxylic acid","Acta Crystallographica Section E","2012","68","3","o706","","10.1107/S1600536812005351","","","0.71069","MoKα","","0.0426","0.0418","","","0.0965","0.0969","","","","","","1.228","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233814","13.2616","0.0008","13.4515","0.0007","14.8338","0.0009","90","","95.067","0.002","90","","2635.8","0.3","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-7-[(2<i>E</i>)-But-2-enoyl]-13-chloro-<i>N</i>-cyclohexyl- 7,8-dihydro-5<i>H</i>-isochromeno[4,3-<i>c</i>]phenanthridine-8-carboxamide","","- C31 H29 Cl N2 O3 -","- C31 H29 Cl N2 O3 -","- C124 H116 Cl4 N8 O12 -","4","1","GK2448","Ye, Ning; Wu, Jin-Long","<i>rac</i>-7-[(2<i>E</i>)-But-2-enoyl]-13-chloro-<i>N</i>-cyclohexyl-7,8-dihydro-5<i>H</i>-isochromeno[4,3-<i>c</i>]phenanthridine-8-carboxamide","Acta Crystallographica Section E","2012","68","3","o748","","10.1107/S1600536812005946","","","0.71073","MoKα","","0.1085","0.0556","","","0.1459","0.1973","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233815","9.144","0.003","11.727","0.004","9.823","0.003","90","","90","","90","","1053.3","0.6","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","poly[[μ~4~-nitrilotris(methylenephosphonic acid)(3-)]lanthanum(III)]","poly[(μ~4~-{[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonato)lanthanum(III)]","","- C3 H9 La N O9 P3 -","- C3 H9 La N O9 P3 -","- C12 H36 La4 N4 O36 P12 -","4","1","GK2450","Silva, Patrícia; Fernandes, José A.; Almeida Paz, Filipe A.","Redetermination at 180K of a layered lanthanide‒organic framework","Acta Crystallographica Section E","2012","68","3","m294","m295","10.1107/S1600536812005508","","","0.71073","MoKα","","0.077","0.0468","","","0.0958","0.1087","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233816","5.4204","0.0002","11.3319","0.0004","19.8771","0.0007","90","","96.609","0.003","90","","1212.81","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>tert</i>-Butyl 2-(1<i>H</i>-benzimidazol-1-yl)acetate","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","GK2453","N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","<i>tert</i>-Butyl 2-(1<i>H</i>-benzimidazol-1-yl)acetate","Acta Crystallographica Section E","2012","68","3","o571","","10.1107/S1600536812002814","","","0.71073","MoKα","","0.0426","0.0343","","","0.0724","0.0764","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233817","9.1331","0.0002","17.8838","0.0005","9.6443","0.0003","90","","118.056","0.001","90","","1390.14","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-Methyl-3-(2-methylbenzylidene)chroman-2-one","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","GK2454","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(<i>E</i>)-6-Methyl-3-(2-methylbenzylidene)chroman-2-one","Acta Crystallographica Section E","2012","68","3","o791","","10.1107/S1600536812005624","","","0.71073","MoKα","","0.0749","0.0473","","","0.1307","0.152","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233818","10.6294","0.0006","12.2394","0.0007","14.9673","0.0011","90","","106.863","0.002","90","","1863.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-{4-[(5-methyl-1,2-oxazol-3- yl)sulfamoyl]phenyl}benzenesulfonamide","","- C17 H17 N3 O5 S2 -","- C17 H17 N3 O5 S2 -","- C68 H68 N12 O20 S8 -","4","1","GK2455","Sohail, Muhammad; Asghar, Muhammad Nadeem; Tahir, M. Nawaz; Shafique, Muhammad; Ashfaq, Muhammad","4-Methyl-<i>N</i>-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o693","","10.1107/S1600536812005260","","","0.71073","MoKα","","0.1184","0.0549","","","0.1176","0.141","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233819","21.9905","0.0003","8.1864","0.0001","26.676","0.0003","90","","90","","90","","4802.29","0.1","119.9","","119.9","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10,16-Dichloro-6,20-dioxa-3,23- diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa- 1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate","","- C26 H26 Cl2 N2 O5 -","- C26 H26 Cl2 N2 O5 -","- C208 H208 Cl16 N16 O40 -","8","1","GK2457","Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel","10,16-Dichloro-6,20-dioxa-3,23-diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa-1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o805","o806","10.1107/S1600536812007052","","","1.5418","CuKα","","0.0449","0.0326","","","0.0755","0.0815","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233820","11.6017","0.0002","12.3381","0.0002","16.2825","0.0003","90","","90.503","0.001","90","","2330.64","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[8-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalen-1-yl](2,4,6- trimethylphenyl)methanone","","- C29 H25 Cl O4 -","- C29 H25 Cl O4 -","- C116 H100 Cl4 O16 -","4","1","GK2460","Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","[8-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalen-1-yl](2,4,6-trimethylphenyl)methanone","Acta Crystallographica Section E","2012","68","3","o906","","10.1107/S1600536812008112","","","1.54187","CuKα","","0.0572","0.0415","","","0.1127","0.1307","","","","","","1.145","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233821","4.6983","0.0003","14.5424","0.001","5.5271","0.0004","90","","99.663","0.003","90","","372.28","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,6<i>R</i>,7a<i>S</i>)-1,2,6-Trihydroxyhexahydro- 1<i>H</i>-pyrrolizin-3-one","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C14 H22 N2 O8 -","2","1","HB6566","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1<i>S</i>,2<i>R</i>,6<i>R</i>,7a<i>S</i>)-1,2,6-Trihydroxyhexahydro-1<i>H</i>-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","3","o586","","10.1107/S1600536812002292","","","1.54178","CuKα","","0.0294","0.0294","","","0.0728","0.0729","","","","","","1.143","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233822","13.108","0.003","15.65","0.003","33.967","0.007","90","","90","","90","","6968","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) dioxide dihydrate","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate","","- C38 H36 O6 P2 -","- C38 H36 O6 P2 -","- C304 H288 O48 P16 -","8","1","HB6568","Dai, Dongmei; Tang, Lin; Gong, Yanqing","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate","Acta Crystallographica Section E","2012","68","3","o804","","10.1107/S1600536812005314","","","1.54178","CuKα","","0.0618","0.0438","","","0.1169","0.1302","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233823","11.9274","0.0011","5.3995","0.0005","14.8194","0.0014","90","","111.692","0.001","90","","886.81","0.14","295","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","<i>catena</i>-Poly[(diaquacadmium)- μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","","- C16 H16 Cd O10 S -","- C16 H16 Cd O10 S -","- C32 H32 Cd2 O20 S2 -","2","0.5","HB6572","Ma, Zhan-Ling","<i>catena</i>-Poly[(diaquacadmium)-μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2012","68","3","m267","","10.1107/S160053681200445X","","","0.71073","MoKα","","0.0207","0.0199","","","0.0436","0.0439","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233824","9.855","0.002","11.773","0.002","21.803","0.004","80.18","0.03","78.23","0.03","75.27","0.03","2376.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ-Benzene-1,2,4,5-tetracarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^5^- bis[diaqua(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)] 0.67-hydrate","","- C34 H27.332 N4 Ni2 O12.67 -","- C34 H27.3333 N4 Ni2 O12.6667 -","- C102 H82 N12 Ni6 O38 -","3","1.5","HB6579","Zhuang, Changfu; Li, Ning; Yu, Xiao-yang","μ-Benzene-1,2,4,5-tetracarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^5^-bis[diaqua(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)] 0.67-hydrate","Acta Crystallographica Section E","2012","68","3","m268","m269","10.1107/S1600536812004618","","","0.71073","MoKα","","0.077","0.0487","","","0.1295","0.1496","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233825","15.619","0.003","11.374","0.002","12.956","0.003","90","","90","","90","","2301.6","0.8","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","4-Chloroanilinium tetrafluoroborate 1,4,7,10,13,16-hexaoxacyclooctadecane","","- C18 H31 B Cl F4 N O6 -","- C18 H31 B Cl F4 N O6 -","- C72 H124 B4 Cl4 F16 N4 O24 -","4","0.5","HB6580","Xu, Jie; Zhao, Min-Min","4-Chloroanilinium tetrafluoroborate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","3","o738","","10.1107/S1600536812006216","","","0.71073","MoKα","","0.1427","0.0683","","","0.1435","0.1757","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233826","7.4034","0.0005","23.819","0.0015","7.6362","0.0005","90","","96.382","0.001","90","","1338.23","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-(2-Chlorobenzylidene)amino 2-amino-4-chlorobenzoate","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","1","HB6586","Yin, Weiyan; Wang, Zhi; Liang, Ying; Yang, Zi-Wen","(<i>E</i>)-(2-Chlorobenzylidene)amino 2-amino-4-chlorobenzoate","Acta Crystallographica Section E","2012","68","3","o770","","10.1107/S1600536812003844","","","0.71073","MoKα","","0.0299","0.028","","","0.0828","0.084","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233827","15.6999","0.0002","18.8817","0.0002","15.0267","0.0002","90","","90","","90","","4454.53","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clarithromycin","(3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>, 11<i>S</i>,12<i>R</i>,13<i>S</i>,14<i>S</i>)- 6-{[(2<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)-4-dimethylamino- 3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-hydroxy-4-methoxy- 4,6-dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione","","- C38 H71 N O14 -","- C38 H71 N O14 -","- C152 H284 N4 O56 -","4","1","HB6588","Noguchi, Shuji; Fujiki, Sadahiro; Iwao, Yasunori; Miura, Keiko; Itai, Shigeru","Clarithromycin monohydrate: a synchrotron X-ray powder study","Acta Crystallographica Section E","2012","68","3","o667","o668","10.1107/S1600536812005090","powder diffraction","","1.3","synchrotron","","0.07572","","","","","","","","3.3196","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233828","5.8043","0.0002","8.1292","0.0003","35.9657","0.0012","90","","92.326","0.002","90","","1695.62","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[chlorido(thiourea-κ<i>S</i>)copper(I)]-μ-thiourea- κ^2^<i>S</i>:<i>S</i>]","","- C2 H8 Cl Cu N4 S2 -","- C2 H8 Cl Cu N4 S2 -","- C16 H64 Cl8 Cu8 N32 S16 -","8","2","HB6598","Zouihri, Hafid","Redetermination of <i>catena</i>-poly[[chlorido(thiourea-κ<i>S</i>)copper(I)]-μ-thiourea-κ^2^<i>S</i>:<i>S</i>] at 100K","Acta Crystallographica Section E","2012","68","3","m260","m261","10.1107/S1600536812004448","","","0.71073","MoKα","","0.0566","0.0432","","","0.0784","0.0809","","","","","","1.145","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233829","10.7354","0.0011","17.1525","0.0016","8.6471","0.0008","90","","102.981","0.002","90","","1551.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,4,5-Trimethoxyphenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","HB6602","Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chantrapromma, Kan; Fun, Hoong-Kun","2-(2,4,5-Trimethoxyphenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","3","o664","o665","10.1107/S1600536812002917","","","0.71073","MoKα","","0.119","0.0629","","","0.1275","0.1557","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233830","9.7093","0.0007","35.796","0.003","8.034","0.0006","90","","118.23","0.001","90","","2460.1","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethylbenzimidazolium) dibromide","","- C26 H28 Br2 N4 -","- C26 H28 Br2 N4 -","- C104 H112 Br8 N16 -","4","1","HB6611","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Budagumpi, Srinivasa; Hemamalini, Madhukar; Fun, Hoong-Kun","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethylbenzimidazolium) dibromide","Acta Crystallographica Section E","2012","68","3","o573","","10.1107/S1600536812002802","","","0.71073","MoKα","","0.0511","0.0331","","","0.0743","0.0804","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233831","5.9894","0.0001","10.6483","0.0001","19.6676","0.0002","90","","96.324","0.001","90","","1246.71","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Di-<i>tert</i>-butyl (2<i>R</i>,3<i>R</i>)-2-{[(2<i>E</i>)-3-(4-acetyloxy- 3-methoxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioate","","- C24 H32 O10 -","- C24 H32 O10 -","- C48 H64 O20 -","2","1","HB6612","Hixson, Josh L.; Taylor, Dennis K.; Ng, Seik Weng; Tiekink, Edward R. T.","Di-<i>tert</i>-butyl (2<i>R</i>,3<i>R</i>)-2-{[(2<i>E</i>)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioate","Acta Crystallographica Section E","2012","68","3","o568","o569","10.1107/S1600536812002784","","","1.54184","CuKα","","0.0568","0.0565","","","0.159","0.1593","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233832","11.6988","0.0003","15.4972","0.0003","12.2246","0.0003","90","","105.714","0.003","90","","2133.47","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Dimethyl sulfoxide-κ<i>O</i>)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene-κ<i>O</i>)hydrazinylidene-κ<i>N</i>^2^]methyl}iminomethyl)phenolato-κ<i>O</i>]dioxidouranium(VI)","","- C19 H21 N3 O5 S2 U -","- C19 H21 N3 O5 S2 U -","- C76 H84 N12 O20 S8 U4 -","4","1","HB6614","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","(Dimethyl sulfoxide-κ<i>O</i>)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene-κ<i>O</i>)hydrazinylidene-κ<i>N</i>^2^]methyl}iminomethyl)phenolato-κ<i>O</i>]dioxidouranium(VI)","Acta Crystallographica Section E","2012","68","3","m244","m245","10.1107/S1600536812003789","","","0.71073","MoKα","","0.0386","0.0295","","","0.0592","0.0633","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","211394","2020-10-21","18:00:00",""
"2233833","10.423","0.002","10.903","0.002","12.824","0.003","74.29","0.03","73.56","0.03","71.59","0.03","1299.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}- 3-(4-ethoxyphenyl)prop-2-en-1-one","","- C28 H28 Br2 N2 O2 -","- C28 H28 Br2 N2 O2 -","- C56 H56 Br4 N4 O4 -","2","1","HB6615","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o604","","10.1107/S1600536812003819","","","0.71073","MoKα","","0.1548","0.0675","","","0.1322","0.1565","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233834","10.05","0.002","11.622","0.002","21.259","0.004","90","","101.72","0.03","90","","2431.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}- 3-(4-methylphenyl)prop-2-en-1-one","","- C27 H26 Br2 N2 O -","- C27 H26 Br2 N2 O -","- C108 H104 Br8 N8 O4 -","4","1","HB6616","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o605","","10.1107/S1600536812003820","","","0.71073","MoKα","","0.1769","0.0747","","","0.1248","0.1552","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233835","11.3803","0.0002","14.3999","0.0003","14.0264","0.0004","90","","97.326","0.002","90","","2279.81","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Butan-2-ol-κ<i>O</i>)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene- κ<i>O</i>)hydrazinylidene-κ<i>N</i>^2^]methyl}iminomethyl)phenolato- κ<i>O</i>]dioxidouranium(VI)","","- C21 H25 N3 O5 S U -","- C20.998 H25 N2.998 O5 S U -","- C83.992 H100 N11.992 O20 S4 U4 -","4","1","HB6617","Takjoo, Reza; Najafi, Atefeh; Ng, Seik Weng; Tiekink, Edward R. T.","(Butan-2-ol-κ<i>O</i>)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene-κ<i>O</i>)hydrazinylidene-κ<i>N</i>^2^]methyl}iminomethyl)phenolato-κ<i>O</i>]dioxidouranium(VI)","Acta Crystallographica Section E","2012","68","3","m255","m256","10.1107/S160053681200431X","","","0.71073","MoKα","","0.0511","0.0383","","","0.0738","0.0776","","","","","","1.158","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233836","7.1837","0.0002","8.5847","0.0003","17.9814","0.0004","87.605","0.001","89.713","0.002","87.174","0.001","1106.59","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1λ^6^,2- benzothiazine-3-carboxylic acid hemihydrate","","- C10 H10 N O5.5 S -","- C10 H10 N O5.5 S -","- C40 H40 N4 O22 S4 -","4","2","HB6618","Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz","4-Hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1λ^6^,2- benzothiazine-3-carboxylic acid hemihydrate","Acta Crystallographica Section E","2012","68","3","o621","o622","10.1107/S1600536812004291","","","0.71073","MoKα","","0.05","0.0377","","","0.0904","0.0968","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233837","8.099","0.0001","14.0513","0.0002","9.9771","0.0002","90","","93.058","0.001","90","","1133.79","0.03","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[3-(Imidazol-1-yl)-1-phenylpropylidene]hydroxylamine","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","HB6619","Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; Almutairi, Maha S.; Ghoneim, Soraya W.","(<i>E</i>)-<i>N</i>-[3-(Imidazol-1-yl)-1-phenylpropylidene]hydroxylamine","Acta Crystallographica Section E","2012","68","3","o627","","10.1107/S1600536812004266","","","0.71073","MoKα","","0.0838","0.0648","","","0.1303","0.138","","","","","","1.134","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233838","9.0352","0.0005","11.8521","0.0007","10.3462","0.0006","90","","109.688","0.001","90","","1043.17","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropan-1-ol","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","HB6620","Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.","3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","3","o628","","10.1107/S1600536812004254","","","0.71073","MoKα","","0.0503","0.0428","","","0.1192","0.1254","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233839","6.5305","0.0001","6.6798","0.0001","13.7264","0.0002","90","","96.676","0.001","90","","594.719","0.015","100","1","100","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(<i>E</i>)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C28 H32 O6 -","2","0.5","HB6621","Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; El-Behairy, Mohammed F.; Al-Deeb, Omar A.","(<i>E</i>)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one","Acta Crystallographica Section E","2012","68","3","o634","","10.1107/S1600536812004242","","","0.71073","MoKα","","0.0401","0.037","","","0.1068","0.1103","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233840","5.8875","0.0003","7.4926","0.0003","13.6022","0.0006","80.351","0.001","85.483","0.001","83.545","0.001","586.69","0.05","100","1","100","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(4-Chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C15 H10 Cl F O -","- C15 H10 Cl F O -","- C30 H20 Cl2 F2 O2 -","2","1","HB6622","Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","(<i>E</i>)-3-(4-Chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o629","","10.1107/S1600536812004230","","","0.71073","MoKα","","0.0358","0.0319","","","0.0827","0.0861","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233841","12.188","0.002","12.589","0.003","17.102","0.003","76.52","0.03","84.1","0.03","89.95","0.03","2537.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-1-{4-[bis(4- methoxyphenyl)methyl]piperazin-1-yl}prop-2-en-1-one","","- C29 H30 N2 O5 -","- C29 H30 N2 O5 -","- C116 H120 N8 O20 -","4","2","HB6623","Zhong, Yan; Wu, Bin","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-1-{4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl}prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o636","","10.1107/S1600536812004345","","","0.71073","MoKα","","0.1173","0.0681","","","0.1699","0.1928","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233842","10.541","0.002","14.402","0.003","14.641","0.006","90","","114.38","0.02","90","","2024.5","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisopropylammonium) tetrachloridocuprate(II)","","- C12 H32 Cl4 Cu N2 -","- C12 H32 Cl4 Cu N2 -","- C48 H128 Cl16 Cu4 N8 -","4","1","HB6624","Xu, Jie","Bis(diisopropylammonium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2012","68","3","m285","","10.1107/S1600536812004928","","","0.71073","MoKα","","0.0447","0.0352","","","0.0774","0.081","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233843","9.4961","0.0019","11.783","0.002","11.852","0.002","97.86","0.03","90.39","0.03","105.26","0.03","1266.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-Trichloroanilinium perchlorate 1,4,7,10,13,16-hexaoxacyclooctadecane","","- C18 H29 Cl4 N O10 -","- C18 H29 Cl4 N O10 -","- C36 H58 Cl8 N2 O20 -","2","1","HB6625","Xu, Jie","2,4,5-Trichloroanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","3","o739","","10.1107/S1600536812006162","","","0.71073","MoKα","","0.0737","0.054","","","0.1411","0.1518","","","","","","1.027","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2233844","13.5833","0.0017","8.6483","0.0006","13.6973","0.0014","90","","115.938","0.014","90","","1447","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Adamantan-1-yl)-4-(prop-2-en-1-yl)-1<i>H</i>-1,2,4-triazole- 5(4<i>H</i>)-thione","","- C15 H21 N3 S -","- C15 H21 N3 S -","- C60 H84 N12 S4 -","4","1","HB6626","Almutairi, Maha S.; Al-Shehri, Mona M.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-(prop-2-en-1-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","3","o656","","10.1107/S1600536812005065","","","0.71073","MoKα","","0.0916","0.0806","","","0.2226","0.2303","","","","","","1.171","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233845","11.4795","0.0002","14.645","0.0003","14.3383","0.0006","90","","98.094","0.003","90","","2386.5","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κ<i>O</i>)amino- κ<i>N</i>]methylidene}hydrazinylidene-κ<i>N</i>^1^)methyl]phenolato- κ<i>O</i>}(butan-2-ol-κ<i>O</i>)dioxidouranium(VI)","","- C21 H24 Br N3 O5 S U -","- C21 H24 Br N3 O5 S U -","- C84 H96 Br4 N12 O20 S4 U4 -","4","1","HB6627","Takjoo, Reza; Ahmadi, Mehdi; Ng, Seik Weng; Tiekink, Edward R. T.","{4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]methylidene}hydrazinylidene-κ<i>N</i>^1^)methyl]phenolato-κ<i>O</i>}(butan-2-ol-κ<i>O</i>)dioxidouranium(VI)","Acta Crystallographica Section E","2012","68","3","m279","m280","10.1107/S1600536812005077","","","0.71073","MoKα","","0.071","0.0517","","","0.0965","0.1023","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233846","13.419","0.0006","6.9043","0.0002","19.0498","0.0009","90","","102.243","0.002","90","","1724.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-(4-Methyl-4<i>H</i>-1,2,4-triazole-3,5-diyl)dibenzenesulfonamide","","- C15 H15 N5 O4 S2 -","- C15 H15 N5 O4 S2 -","- C60 H60 N20 O16 S8 -","4","1","HB6629","Akhtar, Tasleem; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz","2,2'-(4-Methyl-4<i>H</i>-1,2,4-triazole-3,5-diyl)dibenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o754","","10.1107/S1600536812006113","","","0.71073","MoKα","","0.1043","0.059","","","0.137","0.1582","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233847","18.2485","0.0005","8.8043","0.0002","18.6913","0.0005","90","","90","","90","","3003.04","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3- ylidene)thiosemicarbazide","","- C15 H10 F N5 O3 S -","- C15 H10 F N5 O3 S -","- C120 H80 F8 N40 O24 S8 -","8","1","HB6630","Pervez, Humayun; Manzoor, Nazia; Yaqub, Muhammad; Tahir, M. Nawaz","(<i>Z</i>)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","3","o670","","10.1107/S1600536812005053","","","0.71073","MoKα","","0.0466","0.0373","","","0.0921","0.1018","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233848","15.1177","0.001","3.9322","0.0003","20.7072","0.0013","90","","94.615","0.006","90","","1226.97","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-2-(4-Methoxybenzylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","HB6631","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-(4-Methoxybenzylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","3","o815","","10.1107/S1600536812006940","","","0.71073","MoKα","","0.0692","0.0485","","","0.1104","0.126","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233849","9.41","0.003","23.079","0.003","16.807","0.002","90","","100.226","0.002","90","","3592.1","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{2-[(4-Chlorobenzylidene)amino]phenyl}-3-phenylthiourea","","- C20 H16 Cl N3 S -","- C20 H16 Cl N3 S -","- C160 H128 Cl8 N24 S8 -","8","2","HB6632","Liu, Peng-Gang; Wang, Xiao-Ning; Yang, Yong-An; Zhu, Hai-Liang","1-{2-[(4-Chlorobenzylidene)amino]phenyl}-3-phenylthiourea","Acta Crystallographica Section E","2012","68","3","o767","","10.1107/S1600536812006228","","","0.71073","MoKα","","0.0975","0.0489","","","0.0947","0.1172","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233850","5.7031","0.0016","17.02","0.005","28.084","0.008","90","","90","","90","","2726","1.4","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-2<i>H</i>- pyrano[3,2-<i>d</i>][1,3]dioxine-7,8-diyl bis(4-methylbenzene-1-sulfonate)","","- C28 H30 O10 S2 -","- C28 H30 O10 S2 -","- C112 H120 O40 S8 -","4","1","HB6633","Wardell, James L.; Tiekink, Edward R. T.","6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-2<i>H</i>-pyrano[3,2-<i>d</i>][1,3]dioxine-7,8-diyl bis(4-methylbenzene-1-sulfonate)","Acta Crystallographica Section E","2012","68","3","o758","","10.1107/S1600536812006186","","","0.71073","MoKα","","0.1005","0.082","","","0.1398","0.1469","","","","","","1.179","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233851","11.0587","0.0003","14.4794","0.0003","13.1357","0.0003","90","","102.804","0.002","90","","2051.03","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-bromobenzene-1-sulfonate","","- C22 H17 Br N2 O4 S -","- C22 H17 Br N2 O4 S -","- C88 H68 Br4 N8 O16 S4 -","4","1","HB6634","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-bromobenzene-1-sulfonate","Acta Crystallographica Section E","2012","68","3","o759","o760","10.1107/S1600536812006198","","","1.5418","CuKα","","0.0373","0.0352","","","0.0965","0.0984","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233852","20.3847","0.0004","7.4352","0.0001","12.7829","0.0003","90","","107.489","0.002","90","","1847.87","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl benzoate","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","HB6635","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl benzoate","Acta Crystallographica Section E","2012","68","3","o732","o733","10.1107/S1600536812006253","","","1.5418","CuKα","","0.0535","0.0492","","","0.1284","0.1318","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233853","18.8216","0.0005","7.6332","0.0002","13.3092","0.0003","90","","97.286","0.002","90","","1896.68","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-methylbenzoate","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","HB6636","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-methylbenzoate","Acta Crystallographica Section E","2012","68","3","o734","o735","10.1107/S1600536812006265","","","1.5418","CuKα","","0.0727","0.0673","","","0.1798","0.1857","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233854","6.1008","0.0003","6.1008","0.0003","53.79","0.002","90","","90","","90","","2002.05","0.16","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione","","- C19 H34 N2 S -","- C19 H34 N2 S -","- C76 H136 N8 S4 -","4","0.5","HB6637","Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Ziauddin","1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione","Acta Crystallographica Section E","2012","68","3","o743","","10.1107/S1600536812006150","","","0.71073","MoKα","","0.1198","0.0595","","","0.1494","0.1758","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233855","11.785","0.002","12.716","0.003","13.288","0.003","90","","90","","90","","1991.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diisopropylammonium thiocyanate","","- C7 H16 N2 S -","- C7 H16 N2 S -","- C56 H128 N16 S8 -","8","1","HB6639","Xu, Jie","Diisopropylammonium thiocyanate","Acta Crystallographica Section E","2012","68","3","o894","","10.1107/S1600536812007349","","","0.71073","MoKα","","0.0576","0.045","","","0.1007","0.1068","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233856","21.82","0.05","10.08","0.02","12.28","0.03","90","","110.53","0.03","90","","2529","10","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-Hydroxyethyl)-5-(4-methoxyphenyl)-4<i>H</i>-pyrazole-3-carboxamide","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C104 H120 N24 O24 -","8","1","HB6641","Han, Guangqian; Lv, Jiaguo; Zhu, Ju; Zhou, Youjun; Wu, Defeng","<i>N</i>-(2-Hydroxyethyl)-5-(4-methoxyphenyl)-4<i>H</i>-pyrazole-3-carboxamide","Acta Crystallographica Section E","2012","68","3","o901","","10.1107/S1600536812007829","","","0.71073","MoKα","","0.0664","0.054","","","0.1462","0.1563","","","","","","1.053","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233857","14.4614","0.0005","16.5383","0.0004","12.9968","0.0004","90","","119.072","0.004","90","","2716.78","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-3-(2-methylphenyl)-7-nitroquinazolin-4(3<i>H</i>)-one","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C128 H104 N24 O24 -","8","1","HB6642","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-7-nitroquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","3","o863","","10.1107/S1600536812007350","","","1.54184","CuKα","","0.0384","0.0354","","","0.0964","0.099","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233858","18.2611","0.0003","7.6266","0.0001","13.2148","0.0002","90","","91.094","0.002","90","","1840.09","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Benzyloxy-2-methyl-3-(2-methylphenyl)quinazolin-4(3<i>H</i>)-one","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","HB6643","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","8-Benzyloxy-2-methyl-3-(2-methylphenyl)quinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","3","o864","o865","10.1107/S1600536812007362","","","1.54184","CuKα","","0.0497","0.0476","","","0.1197","0.1214","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233859","11.241","0.002","12.59","0.003","9.645","0.0019","90","","100.6","0.03","90","","1341.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dichloro-<i>N</i>-(4-chlorophenyl)benzamide","","- C13 H8 Cl3 N O -","- C13 H8 Cl3 N O -","- C52 H32 Cl12 N4 O4 -","4","1","HB6644","Zhu, Jing; Li, Ming; Wei, Hong-xia; Wang, Jian-qiang; Guo, Cheng","2,6-Dichloro-<i>N</i>-(4-chlorophenyl)benzamide","Acta Crystallographica Section E","2012","68","3","o843","","10.1107/S1600536812007556","","","0.71073","MoKα","","0.1074","0.0565","","","0.1488","0.1809","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233860","6.877","0.001","17.383","0.003","20.033","0.003","90","","90","","90","","2394.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Acetato-κ<i>O</i>)diaqua[2-(1<i>H</i>-benzotriazol-1-yl)acetato- κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>') manganese(II) dihydrate","","- C22 H25 Mn N5 O8 -","- C22 H25 Mn N5 O8 -","- C88 H100 Mn4 N20 O32 -","4","1","HB6645","Zeng, Ling","(Acetato-κ<i>O</i>)diaqua[2-(1<i>H</i>-benzotriazol-1-yl)acetato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","3","m329","","10.1107/S1600536812007404","","","0.71073","MoKα","","0.0306","0.0266","","","0.0636","0.0659","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233861","10.1524","0.0009","23.8858","0.0017","5.0922","0.0004","90","","90","","90","","1234.85","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dibenzylazanium chloride","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","0.5","HG5170","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","Dibenzylazanium chloride","Acta Crystallographica Section E","2012","68","3","o577","","10.1107/S1600536812003777","","","0.71073","MoKα","","0.072","0.0486","","","0.1116","0.1246","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233862","9.9767","0.0003","11.1639","0.0003","16.2755","0.0005","90","","90","","90","","1812.75","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichlorido{1-[<i>N</i>-(5-chloro-2-oxidophenyl)carboximidoyl]naphthalen-2- olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)tin(IV)","","- C18 H14 Cl3 N O3 Sn -","- C18 H14 Cl3 N O3 Sn -","- C72 H56 Cl12 N4 O12 Sn4 -","4","1","HG5171","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","Dichlorido{1-[<i>N</i>-(5-chloro-2-oxidophenyl)carboximidoyl]naphthalen-2-olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2012","68","3","m246","m247","10.1107/S160053681200390X","","","0.71073","MoKα","","0.0329","0.0297","","","0.057","0.0592","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233863","5.6543","0.0004","13.5163","0.0009","19.9498","0.0017","90","","90","","90","","1524.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-Diphenoxybenzene-1,2-dicarbonitrile","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C80 H48 N8 O8 -","4","1","HG5172","Foo, Chuan Ching; Tan, Ai Ling; Wimmer, Franz L.; Mirza, Aminul Huq; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4,5-Diphenoxybenzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","3","o601","","10.1107/S1600536812004060","","","0.71073","MoKα","","0.08","0.0538","","","0.1074","0.1176","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233864","25.8985","0.0006","7.0479","0.0002","11.1811","0.0002","90","","98.527","0.002","90","","2018.33","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-(2-Methylpropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5- carbonitrile","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C72 H88 N24 O8 S8 -","8","1","HG5174","Al-Deeb, Omar A.; El-Emam, Ali A.; Al-Turkistani, Abdulghafoor A.; Ng, Seik Weng; Tiekink, Edward R. T.","6-(2-Methylpropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","3","o676","o677","10.1107/S1600536812005119","","","1.54184","CuKα","","0.0311","0.0297","","","0.0841","0.0857","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233865","16.1006","0.0006","14.2182","0.0005","11.4641","0.0004","90","","92.44","0.004","90","","2622","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(<i>E</i>)-(4- hydroxybenzylidene)amino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C26 H36 N6 O S -","- C26 H36 N6 O S -","- C104 H144 N24 O4 S4 -","4","1","HG5175","El-Emam, Ali A.; Alrashood, Khalid A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(<i>E</i>)-(4-hydroxybenzylidene)amino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","3","o657","o658","10.1107/S1600536812005107","","","0.71073","MoKα","","0.0471","0.039","","","0.0935","0.1002","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233866","18.637","0.0013","11.6257","0.0005","7.474","0.0003","90","","90","","90","","1619.38","0.15","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Iodo-4-methoxy-2-nitrobenzene","","- C7 H6 I N O3 -","- C7 H6 I N O3 -","- C56 H48 I8 N8 O24 -","8","1","HG5176","Wardell, James L.; Tiekink, Edward R. T.","1-Iodo-4-methoxy-2-nitrobenzene","Acta Crystallographica Section E","2012","68","3","o761","","10.1107/S1600536812006484","","","0.71073","MoKα","","0.0166","0.0139","","","0.0374","0.0386","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233867","7.8121","0.0005","10.0137","0.0008","12.6003","0.0009","97.95","0.006","104.632","0.006","98.394","0.006","927.58","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-{(4<i>Z</i>)-4-[(2<i>Z</i>)-3-(4-Fluoroanilino)-1-hydroxybut-2-en-1-ylidene]- 3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}benzenesulfonamide","","- C20 H19 F N4 O4 S -","- C20 H19 F N4 O4 S -","- C40 H38 F2 N8 O8 S2 -","2","1","HG5177","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-{(4<i>Z</i>)-4-[(2<i>Z</i>)-3-(4-Fluoroanilino)-1-hydroxybut-2-en-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}benzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o762","o763","10.1107/S1600536812006502","","","0.71073","MoKα","","0.0967","0.0589","","","0.1218","0.1459","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233868","8.3871","0.0007","11.1368","0.0009","18.4772","0.0016","90","","101.317","0.008","90","","1692.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-3-(4-Fluoroanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1<i>H</i>- pyrazol-4-yl)but-2-en-1-one","","- C20 H18 F N3 O2 -","- C20 H18 F N3 O2 -","- C80 H72 F4 N12 O8 -","4","1","HG5178","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>Z</i>)-3-(4-Fluoroanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)but-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o764","","10.1107/S1600536812006514","","","0.71073","MoKα","","0.0961","0.0549","","","0.099","0.1233","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233869","14.9041","0.0008","6.9222","0.0004","17.1921","0.0008","90","","96.19","0.005","90","","1763.35","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-1-(5-Hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)- 3-(4-methylanilino)but-2-en-1-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","HG5179","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>Z</i>)-1-(5-Hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-3-(4-methylanilino)but-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o794","","10.1107/S1600536812006526","","","0.71073","MoKα","","0.1134","0.06","","","0.1316","0.1636","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233870","13.0338","0.0005","10.8079","0.0002","14.0431","0.0005","90","","92.031","0.001","90","","1976.98","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-Benzyl 3-phenylcarbamoyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","2","HG5180","Naicker, Tricia; Chelopo, Madichaba; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.","(<i>S</i>)-Benzyl 3-phenylcarbamoyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","3","o883","","10.1107/S1600536812007969","","","0.71073","MoKα","","0.047","0.0393","","","0.0917","0.095","","","","","","1.152","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233871","8.633","0.002","8.763","0.003","9.559","0.003","91.715","0.007","108.11","0.008","100.572","0.007","672.7","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(Morpholin-4-yl)-6-(1<i>H</i>-pyrrol-1-yl)pyridine-3,5-dicarbonitrile","","- C15 H13 N5 O -","- C15 H13 N5 O -","- C30 H26 N10 O2 -","2","1","HG5182","Horton, Peter N.; Mohamed, Shaaban K.; Soliman, Ahmed M.; Abdel-Raheem, Eman M. M.; Akkurt, Mehmet","2-(Morpholin-4-yl)-6-(1<i>H</i>-pyrrol-1-yl)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","3","o885","o886","10.1107/S160053681200815X","","","0.71073","MoKα","","0.1119","0.0746","","","0.1903","0.2245","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233872","9.6111","0.0001","21.9632","0.0002","12.6954","0.0001","90","","103.936","0.001","90","","2601","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(9,9-Dipropyl-9<i>H</i>-fluoren-2-yl)-7-(piperidin-1-yl)- 2,1,3-benzothiadiazol-4-amine","","- C30 H34 N4 S -","- C30 H34 N4 S -","- C120 H136 N16 S4 -","4","1","HG5183","Bolisetty, M. N. K. Prasad; Thomas, K. R. Justin; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(9,9-Dipropyl-9<i>H</i>-fluoren-2-yl)-7-(piperidin-1-yl)-2,1,3-benzothiadiazol-4-amine","Acta Crystallographica Section E","2012","68","3","o911","o912","10.1107/S1600536812008239","","","1.54184","CuKα","","0.0416","0.038","","","0.1028","0.1062","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233873","5.607","0.0011","9.811","0.002","11.679","0.002","67.44","0.03","81.93","0.03","84.28","0.03","586.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium]-bis(μ-4- nitrophenylcyanamido-κ^2^<i>N</i>^1^:<i>N</i>^3^)]","","- C20 H22 Cd N8 O6 -","- C20 H22 Cd N8 O6 -","- C20 H22 Cd N8 O6 -","1","0.5","HY2496","Chiniforoshan, Hossein; Jazestani, Mehdi; Notash, Behrouz","<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium]-bis(μ-4-nitrophenylcyanamido-κ^2^<i>N</i>^1^:<i>N</i>^3^)]","Acta Crystallographica Section E","2012","68","3","m232","","10.1107/S1600536812001924","","","0.71073","MoKα","","0.0465","0.0442","","","0.112","0.1138","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233874","11.078","0.002","26.021","0.005","12.155","0.002","90","","106.09","0.03","90","","3366.6","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[2-(5-methyl-3-phenylpyrazin- 2-yl-κ<i>N</i>^1^)phenyl-κ<i>C</i>^1^]iridium(III)","","- C39 H33 Ir N4 O2 -","- C39 H33 Ir N4 O2 -","- C156 H132 Ir4 N16 O8 -","4","1","HY2507","Ge, Guo-Ping; Li, Chun-Yan; Gu, Cheng-Hao; Li, Mao-He; Xu, Xiao-Nan","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[2-(5-methyl-3-phenylpyrazin-2-yl-κ<i>N</i>^1^)phenyl-κ<i>C</i>^1^]iridium(III)","Acta Crystallographica Section E","2012","68","3","m306","","10.1107/S1600536812006022","","","0.71073","MoKα","","0.0454","0.0311","","","0.0586","0.0615","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233875","9.2108","0.0018","9.7453","0.0019","11.354","0.002","103.01","0.03","104.59","0.03","105.09","0.03","905","0.4","200","2","200","2","","","","","","","","6","P 1","P 1","1","","(+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2- diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate","","- C45 H36 Cl O2 P2 Rh -","- C45 H36 Cl O2 P2 Rh -","- C45 H36 Cl O2 P2 Rh -","1","1","HY2508","Meissner, Antje; Selle, Carmen; Drexler, Hans-Joachim; Heller, Detlef","(+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2-diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate","Acta Crystallographica Section E","2012","68","3","m259","","10.1107/S1600536812003418","","","0.71073","MoKα","","0.0305","0.0266","","","0.0428","0.0432","","","","","","0.955","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233876","10.9026","0.0003","11.5495","0.0003","12.489","0.0003","92.552","0.001","113.853","0.001","117.838","0.001","1217.74","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine- κ<i>N</i>)bis(2,4,6-trimethylphenolato-κ<i>O</i>)germanium(II)","","- C24 H38 Ge N2 O2 -","- C24 H38 Ge N2 O2 -","- C48 H76 Ge2 N4 O4 -","2","1","HY2510","Brusylovets, Oleksii; Yrushnikov, Oleg; Naumova, Dina; Klishin, Nikolai; Rusanov, Eduard","(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine-κ<i>N</i>)bis(2,4,6-trimethylphenolato-κ<i>O</i>)germanium(II)","Acta Crystallographica Section E","2012","68","3","m296","","10.1107/S160053681200503X","","","0.71073","MoKα","","0.0368","0.0295","","","0.0782","0.0819","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233877","12.9573","0.0013","10.5506","0.0011","18.9241","0.0018","90","","108.961","0.001","90","","2446.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(isoquinoline-κ<i>N</i>)(triphenylphospane- κ<i>P</i>)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","","- C28 H22 Cu N2 P S -","- C28 H22 Cu N2 P S -","- C112 H88 Cu4 N8 P4 S4 -","4","1","HY2511","Li, Jian-Bao; Zhou, Li-Li; Wu, Man-Hua; Jin, Qiong-Hua; Zhang, Cun-Lin","<i>catena</i>-Poly[[(isoquinoline-κ<i>N</i>)(triphenylphospane-κ<i>P</i>)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","3","m283","m284","10.1107/S1600536812004837","","","0.71073","MoKα","","0.0865","0.041","","","0.084","0.1084","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233878","14.962","0.003","13.416","0.003","10.347","0.002","90","","90","","90","","2077","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Triaquachlorido(18-crown-6)barium chloride","","- C12 H30 Ba Cl2 O9 -","- C12 H30 Ba Cl2 O9 -","- C48 H120 Ba4 Cl8 O36 -","4","0.5","HY2512","Zhao, Min-Min","Triaquachlorido(18-crown-6)barium chloride","Acta Crystallographica Section E","2012","68","3","m286","","10.1107/S1600536812004990","","","0.71073","MoKα","","0.0293","0.0257","","","0.046","0.0468","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233879","7.474","0.004","10.214","0.005","12.641","0.007","80.333","0.006","72.974","0.005","80.17","0.005","902","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[[aqua(1<i>H</i>-imidazol[4,5-<i>f</i>][1,10]phenanthroline- κ^2^<i>N</i>^6^,<i>N</i>^7^)cadmium]bis(μ-pyridine-2,3-dicarboxylato)- κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^]","","- C40 H26 Cd2 N10 O10 -","- C40 H26 Cd2 N10 O10 -","- C40 H26 Cd2 N10 O10 -","1","0.5","HY2513","Chen, Li-Juan; Yang, Ming-Xing; Huang, Hua; Chen, Xiao-Hua; Lin, Shen","Bis[[aqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^6^,<i>N</i>^7^)cadmium]bis(μ-pyridine-2,3-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^]","Acta Crystallographica Section E","2012","68","3","m301","","10.1107/S160053681200579X","","","0.71073","MoKα","","0.0353","0.0318","","","0.0815","0.0844","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233880","16.987","0.004","11.606","0.003","14.487","0.004","90","","118.492","0.003","90","","2510.2","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Chloridobis(1,2,3,4-tetrahydro-1,4,6,11-tetraazanaphthacene- κ<i>N</i>^6^)copper(I)","","- C28 H24 Cl Cu N8 -","- C28 H24 Cl Cu N8 -","- C112 H96 Cl4 Cu4 N32 -","4","0.5","HY2514","Chen, Xing-Shun; Zhang, Jing-Jing; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Chloridobis(1,2,3,4-tetrahydro-1,4,6,11-tetraazanaphthacene-κ<i>N</i>^6^)copper(I)","Acta Crystallographica Section E","2012","68","3","m297","","10.1107/S1600536812005582","","","0.71073","MoKα","","0.0428","0.0364","","","0.0991","0.105","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233881","11.654","0.007","20.013","0.012","14.329","0.012","90","","106.148","0.007","90","","3210","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato- κ^2^<i>O</i>,<i>O</i>']manganese(II) monohydrate","","- C38 H32 Mn N4 O5 -","- C38 H30 Mn N4 O4 -","- C152 H120 Mn4 N16 O16 -","4","0.5","HY2515","Zhang, Zhen-Ming; Yin, Fu-Jun; Li, Shu-An; Wang, Li-Ping","Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ^2^<i>O</i>,<i>O</i>']manganese(II) monohydrate","Acta Crystallographica Section E","2012","68","3","m328","","10.1107/S1600536812007441","","","0.71073","MoKα","","0.0781","0.044","","","0.0803","0.0896","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233882","11.453","0.002","8.4896","0.0017","12.337","0.003","90","","107.12","0.03","90","","1146.4","0.5","290","2","290","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-chlorobenzoato- κ<i>O</i>)zinc(II)","","- C24 H16 Cl2 N2 O4 Zn -","- C24 H16 Cl2 N2 O4 Zn -","- C48 H32 Cl4 N4 O8 Zn2 -","2","0.5","HY2516","Zhang, Bi-Song; Zhu, Hong-Line; Li, Jun; Dai, Dong-Dong; Peng, Yi-Bao","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-chlorobenzoato-κ<i>O</i>)zinc","Acta Crystallographica Section E","2012","68","3","m321","m322","10.1107/S160053681200699X","","","0.71073","MoKα","","0.0609","0.0411","","","0.0914","0.1214","","","","","","1.168","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233883","11.184","0.002","10.354","0.002","15.426","0.003","90","","102.19","0.03","90","","1746","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-propan-2-olato-κ^2^<i>O</i>:<i>O</i>)bis[chlorido(propan-2-ol- κ<i>O</i>)bis(propan-2-olato-κ<i>O</i>)tin(IV)]","","- C24 H58 Cl2 O8 Sn2 -","- C24 H58 Cl2 O8 Sn2 -","- C48 H116 Cl4 O16 Sn4 -","2","0.5","HY2517","Klishin, Nikolai; Brusylovets, Oleksii; Brusilovets, Anatoliy; Rusanov, Eduard","Bis(μ-propan-2-olato-κ^2^<i>O</i>:<i>O</i>)bis[chlorido(propan-2-ol-κ<i>O</i>)bis(propan-1-olato-κ<i>O</i>)tin(IV)]","Acta Crystallographica Section E","2012","68","3","m337","m338","10.1107/S1600536812007799","","","0.71073","MoKα","","0.0279","0.0207","","","0.0416","0.0452","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233884","4.7767","0.0002","25.1653","0.0016","11.9998","0.0008","90","","91.585","0.005","90","","1441.91","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea","3-benzoyl-1-benzyl-1-(2- {benzyl[(phenylformamido)methanethioyl]amino}ethyl)thiourea","","- C32 H30 N4 O2 S2 -","- C32 H30 N4 O2 S2 -","- C64 H60 N8 O4 S4 -","2","0.5","IM2351","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Becker, Barbara","3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea","Acta Crystallographica Section E","2012","68","3","o619","o620","10.1107/S1600536812002954","","","0.71073","MoKα","","0.07","0.05","","","0.1117","0.1231","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233885","4.4177","0.0001","6.224","0.0002","11.841","0.0003","94.455","0.002","99.97","0.002","100.859","0.002","312.865","0.015","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","1,5-Diamino-2,6-dibromo-9,10-anthraquinone","","- C14 H8 Br2 N2 O2 -","- C14 H8 Br2 N2 O2 -","- C14 H8 Br2 N2 O2 -","1","0.5","IM2352","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","1,5-Diamino-2,6-dibromo-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","3","o838","","10.1107/S1600536812004229","","","0.71073","MoKα","","0.0286","0.0256","","","0.0693","0.0713","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233886","9.2961","0.0005","15.9931","0.0007","10.0896","0.0006","90","","104.58","0.003","90","","1451.75","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)naphtho[2,3-<i>b</i>]thiophene","","- C19 H14 O S -","- C18.99 H13.99 O S0.995 -","- C75.96 H55.96 O4 S3.98 -","4","1","IM2353","Vasudhevan, S.; Puthilibai, G.; Karunakaran, R. Joel","4-(4-Methoxyphenyl)naphtho[2,3-<i>b</i>]thiophene","Acta Crystallographica Section E","2012","68","3","o875","o876","10.1107/S1600536812005697","","","0.71073","MoKα","","0.0612","0.0537","","","0.1442","0.1501","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233887","12.7058","0.0007","13.8293","0.0008","13.9679","0.0008","60.76","0.001","77.68","0.001","89.564","0.001","2078.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","{μ-5-[1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazolium-2-yl]- 2-(2-oxoethenyl-1κ<i>C</i>^1^)furan-3-yl-2κ<i>C</i>^3^}-μ-hydrido- bis(tetracarbonylrhenium) tetrahydrofuran 0.67-solvate","","- C37.66 H31.33 N2 O10.67 Re2 -","- C37.664 H31.328 N2 O10.666 Re2 -","- C75.328 H62.656 N4 O21.332 Re4 -","2","1","IM2354","Landman, Marilé; van der Westhuizen, Belinda; Bezuidenhout, Daniela I.; Liles, David C.","{μ-5-[1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazolium-2-yl]-2-(2-oxoethenyl-1κ<i>C</i>^1^)furan-3-yl-2κ<i>C</i>^3^}-μ-hydrido-bis(tetracarbonylrhenium) tetrahydrofuran 0.67-solvate","Acta Crystallographica Section E","2012","68","3","m308","m309","10.1107/S1600536812006587","","","0.71073","MoKα","","0.0523","0.0418","","","0.1239","0.1368","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233888","10.411","0.003","11.024","0.003","11.534","0.003","95.501","0.003","95.065","0.003","102.986","0.003","1275.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>-(2-Iodo-phenyl)-benzamidine","<i>N</i>-(2-Iodophenyl)benzenecarboximidamide","","- C13 H11 I N2 -","- C13 H11 I N2 -","- C52 H44 I4 N8 -","4","2","IM2355","Zhang, Yin-jun; Wang, Dong; Zhang, Hai-Liang; Wang, Yu-Guang","<i>N</i>-(2-Iodophenyl)benzenecarboximidamide","Acta Crystallographica Section E","2012","68","3","o726","","10.1107/S160053681200596X","","","0.71073","MoKα","","0.0386","0.033","","","0.0747","0.0785","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233889","8.077","0.0007","10.2667","0.001","28.937","0.003","90","","90","","90","","2399.6","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-13-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl- 3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C104 H144 N8 O24 -","4","1","IM2357","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Outouch, Rachid; Berraho, Moha","10α-Hydroxy-13-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","3","o715","o716","10.1107/S1600536812005818","","","0.71073","MoKα","","0.1195","0.0717","","","0.17","0.1878","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233890","3.9638","0.0002","11.0211","0.0008","8.711","0.0007","90","","101.344","0.005","90","","373.11","0.05","294","2","294","2","","","","","","","","3","P 1 n 1","P -2yac","7","","5-Sulfanylidene-2<i>H</i>,5<i>H</i>-1,3-dithiolo[4,5-<i>d</i>][1,3]dithiol-2-one","","- C4 O S5 -","- C4 O S5 -","- C8 O2 S10 -","2","1","IS5027","Wen, Hua-Wen; Fan, Li-Xia; Liu, Li; Li, Ao; Fang, Qi","5-Sulfanylidene-2<i>H</i>,5<i>H</i>-1,3-dithiolo[4,5-<i>d</i>][1,3]dithiol-2-one","Acta Crystallographica Section E","2012","68","3","o721","","10.1107/S1600536812005703","","","0.71073","MoKα","","0.0521","0.044","","","0.1244","0.1296","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233891","12.167","0.002","7.138","0.0014","10.626","0.002","90","","90.12","0.03","90","","922.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1<i>R</i>*,2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-Cyclohexane-1,2:4,5- tetracarboxylic dianhydride","(1<i>R</i>*,3<i>R</i>*,7<i>S</i>*,9<i>S</i>*)- 5,11-dioxatricyclo[7.3.0.0^3,7^]dodecane-4,6,10,12-tetrone","","- C10 H8 O6 -","- C10 H8 O6 -","- C40 H32 O24 -","4","1","IS5043","Uchida, Akira; Hasegawa, Masatoshi; Takezawa, Eiichiro; Yamaguchi, Shinya; Ishikawa, Atsushi; Kagayama, Takashi","(1<i>R</i>*,2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-Cyclohexane-1,2:4,5-tetracarboxylic dianhydride","Acta Crystallographica Section E","2012","68","3","o579","","10.1107/S1600536812003571","","","0.71073","MoKα","","0.0495","0.0452","","","0.1335","0.1396","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233892","7.2025","0.0005","10.9574","0.0008","11.219","0.0009","117.188","0.002","91.416","0.002","107.251","0.002","738.66","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Methoxyphenyl)-2-{[2-(2-methoxyphenyl)hydrazinylidene](nitro)methyl}diazene","","- C15 H15 N5 O4 -","- C15 H15 N5 O4 -","- C30 H30 N10 O8 -","2","1","IS5057","von Eschwege, Karel G.; Muller, Fabian; Hill, Tania N.","1-(2-Methoxyphenyl)-2-{[2-(2-methoxyphenyl)hydrazinylidene](nitro)methyl}diazene","Acta Crystallographica Section E","2012","68","3","o609","","10.1107/S1600536812004175","","","0.71073","MoKα","","","0.0374","","","","0.11","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233893","13.3344","0.0017","5.0484","0.0006","25.767","0.003","90","","98.25","0.002","90","","1716.6","0.4","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","2","IS5059","Fun, Hoong-Kun; Promdet, Premrudee; Horkaew, Jirapa; Chantrapromma, Suchada","(<i>E</i>)-4-Methoxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o562","o563","10.1107/S1600536812003534","","","0.71073","MoKα","","0.1084","0.09","","","0.2581","0.2753","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233894","8.2721","0.0008","10.274","0.001","16.2342","0.0016","81.058","0.002","82.987","0.002","83.646","0.002","1346.8","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","Ethyl ({5-[5'-(2-ethoxy-2-oxoethoxy)-4,4''-difluoro-1,1':3',1''-terphenyl- 4'-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate","","- C28 H24 F2 N2 O6 S -","- C28 H24 F2 N2 O6 S -","- C56 H48 F4 N4 O12 S2 -","2","1","IS5061","Fun, Hoong-Kun; Arshad, Suhana; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","Ethyl ({5-[5'-(2-ethoxy-2-oxoethoxy)-4,4''-difluoro-1,1':3',1''-terphenyl-4'-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate","Acta Crystallographica Section E","2012","68","3","o674","o675","10.1107/S1600536812005028","","","0.71073","MoKα","","0.0839","0.0612","","","0.168","0.196","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233895","10.0688","0.0002","8.0116","0.0002","15.7479","0.0003","90","","106.809","0.001","90","","1216.06","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-4-(thiophen-2-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-3-amine","","- C12 H12 N4 S -","- C12 H12 N4 S -","- C48 H48 N16 S4 -","4","1","IS5063","Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","5,6-Dimethyl-4-(thiophen-2-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-3-amine","Acta Crystallographica Section E","2012","68","3","o612","o613","10.1107/S1600536812004126","","","1.54178","CuKα","","0.0541","0.0479","","","0.1331","0.1391","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233896","7.6752","0.0004","8.2913","0.0004","12.9469","0.0008","84.87","0.004","82.569","0.004","63.696","0.003","731.91","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10<i>H</i>-phenothiazine","","- C17 H15 N3 O S -","- C17 H15 N3 O S -","- C34 H30 N6 O2 S2 -","2","1","IS5065","Pan, Yu-Zhen; Wang, You-Gui; Liu, Jian-Hui; Sun, Li-Cheng","10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10<i>H</i>-phenothiazine","Acta Crystallographica Section E","2012","68","3","o649","","10.1107/S160053681200462X","","","0.71073","MoKα","","0.0449","0.0393","","","0.1027","0.1071","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233897","3.9296","0.0003","7.4448","0.0005","26.3979","0.0019","90","","94.022","0.001","90","","770.37","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>E</i>,2<i>E</i>)-1,2-Bis[1-(3-nitrophenyl)ethylidene]hydrazine","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","0.5","IS5067","Asik, Safra Izuani Jama; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Jansrisewangwong, Patcharaporn; Chantraproma, Suchada","(1<i>E</i>,2<i>E</i>)-1,2-Bis[1-(3-nitrophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","3","o643","","10.1107/S1600536812004722","","","0.71073","MoKα","","0.0632","0.0471","","","0.133","0.1463","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233898","6.2225","0.0003","15.3429","0.0007","11.8897","0.0005","90","","112.283","0.004","90","","1050.36","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Phenyl-2-(propan-2-ylidene)hydrazinecarboxamide","","- C10 H13 N3 O -","- C10 H13 N3 O -","- C40 H52 N12 O4 -","4","1","IS5068","Attia, Mohamed I.; Ghabbour, Hazem A.; El-Azzouny, Aida A.; Quah, Ching Kheng; Fun, Hoong-Kun","<i>N</i>-Phenyl-2-(propan-2-ylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","3","o671","","10.1107/S1600536812004904","","","1.54178","CuKα","","0.0899","0.0483","","","0.1282","0.1419","","","","","","0.954","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233899","13.4622","0.0001","9.4175","0.0001","13.3002","0.0002","90","","103.146","0.001","90","","1642.01","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Ethoxyphenyl)-3-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C17 H18 N4 O S -","- C17 H18 N4 O S -","- C68 H72 N16 O4 S4 -","4","1","IS5069","Chantrapromma, Suchada; Nonthason, Phonpawee; Suwunwong, Thitipone; Fun, Hoong-Kun","5-(4-Ethoxyphenyl)-3-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2012","68","3","o830","o831","10.1107/S1600536812006642","","","0.71073","MoKα","","0.0514","0.0399","","","0.0911","0.0973","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233900","24.2438","0.0018","5.1618","0.0005","24.4265","0.0017","90","","111.532","0.006","90","","2843.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Benzyl-6-methyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","IS5070","Al-Salahi, Rashad; Al-Omar, Mohamed; El-Subbagh, Hussein; Hemamalini, Madhukar; Fun, Hoong-Kun","3-Benzyl-6-methyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","3","o717","o718","10.1107/S1600536812006009","","","1.54178","CuKα","","0.1004","0.0551","","","0.1452","0.1663","","","","","","0.934","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233901","7.5723","0.0015","8.3258","0.0017","10.346","0.002","109.7","0.04","95.74","0.03","91.15","0.03","610","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5,5'-[1,4-Phenylenebis(methylenesulfanediyl)]bis[1,3,4-thiadiazol- 2(3<i>H</i>)-one] dimethyl sulfoxide disolvate","5-({4-[(5-oxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)methyl]phenyl}methyl)- 2,3-dihydro-1,3,4-thiadiazol-2-one dimethyl sulfoxide disolvate","","- C16 H22 N4 O4 S6 -","- C16 H22 N4 O4 S6 -","- C16 H22 N4 O4 S6 -","1","0.5","IS5071","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","5,5'-[1,4-Phenylenebis(methylenesulfanediyl)]bis[1,3,4-thiadiazol-2(3<i>H</i>)-one] dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2012","68","3","o781","","10.1107/S1600536812006289","","","0.71073","MoKα","","0.05","0.0337","","","","0.0996","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233902","5.0213","0.0002","15.6834","0.0005","18.6368","0.0006","90","","90","","90","","1467.67","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol- 1-yl]ethanone","","- C17 H15 Cl N2 O2 -","- C17 H15 Cl N2 O2 -","- C68 H60 Cl4 N8 O8 -","4","1","IS5074","Fun, Hoong-Kun; Quah, Ching Kheng; Priya, S.; Narayana, B.; Sarojini, B. K.","1-[5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","3","o818","","10.1107/S1600536812006885","","","0.71073","MoKα","","0.0322","0.0299","","","0.0794","0.0817","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233903","7.2645","0.0002","8.5771","0.0002","13.0931","0.0005","88.384","0.002","76.39","0.002","87.814","0.001","792.17","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(3<i>Z</i>,3'<i>Z</i>)-3,3'-(3,5-Dimethylfuran-2,4-diyl)bis(4-hydroxypent-3-en-2-one)","","- C16 H20 O5 -","- C16 H20 O5 -","- C32 H40 O10 -","2","1","IS5075","Al-Said, Mansour S.; Ghorab, Mostafa M.; Chantrapromma, Suchada; Fun, Hoong-Kun","(3<i>Z</i>,3'<i>Z</i>)-3,3'-(3,5-Dimethylfuran-2,4-diyl)bis(4-hydroxypent-3-en-2-one)","Acta Crystallographica Section E","2012","68","3","o847","o848","10.1107/S1600536812007696","","","1.54178","CuKα","","0.059","0.0559","","","0.1659","0.17","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233904","8.1177","0.0005","9.1042","0.0005","18.3548","0.0011","90","","94.323","0.002","90","","1352.66","0.14","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-[1,4-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dichloride dihydrate","","- C28 H36 Cl2 N4 O2 -","- C28 H36 Cl2 N4 O2 -","- C56 H72 Cl4 N8 O4 -","2","0.5","IS5076","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Ahmad, Safaa A.; Chia, Tze Shyang; Fun, Hoong-Kun","3,3'-[1,4-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dichloride dihydrate","Acta Crystallographica Section E","2012","68","3","o845","o846","10.1107/S1600536812007738","","","0.71073","MoKα","","0.0698","0.0609","","","0.1787","0.1955","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233905","9.77","0.0004","8.6431","0.0004","24.8878","0.0009","90","","105.646","0.002","90","","2023.73","0.15","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6-dimethyl-4-(5-phenyl-1<i>H</i>-pyrazol-4-yl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","IS5081","Fun, Hoong-Kun; Ooi, Chin Wei; Malladi, Shridhar; Shivananda, K. N.; Isloor, Arun M.","Diethyl 2,6-dimethyl-4-(5-phenyl-1<i>H</i>-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","3","o892","o893","10.1107/S1600536812008173","","","0.71073","MoKα","","0.053","0.041","","","0.1088","0.1182","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233906","18.033","0.004","9.3127","0.0019","11.061","0.002","90","","123.58","0.03","90","","1547.5","0.8","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","1,2-Bis[(3,6,9-trimethyl-3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10,12,12a- dodecahydropyrano[4,3-<i>j</i>][1,2]benzodioxepin-4-yl)oxy]ethane","","- C32 H50 O10 -","- C32 H50 O10 -","- C64 H100 O20 -","2","0.5","JJ2118","Jia, Liwei; Yue, Zhengyu; Lv, Dongying; Gao, Po","1,2-Bis[(3,6,9-trimethyl-3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10,12,12a-dodecahydropyrano[4,3-<i>j</i>][1,2]benzodioxepin-4-yl)oxy]ethane","Acta Crystallographica Section E","2012","68","3","o661","","10.1107/S1600536812005089","","","0.71073","MoKα","","0.0585","0.042","","","0.1075","0.1286","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233907","6.75","0.002","8.262","0.003","17.853","0.006","94.981","0.006","91.302","0.007","100.593","0.007","974.2","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","6-[(2-Chloropyridin-5-ylmethyl)(ethyl)azanyl]-4-(2-fluorophenyl)- 1-methyl-5-nitro-1,2,3,4-tetrahydropyridin-2-one","","- C20 H20 Cl F N4 O3 -","- C20 H20 Cl F N4 O3 -","- C40 H40 Cl2 F2 N8 O6 -","2","1","JJ2119","Sun, Chuan-Wen; Wang, Jing; Wu, Ying","6-[(2-Chloropyridin-5-ylmethyl)(ethyl)azanyl]-4-(2-fluorophenyl)-1-methyl-5-nitro-1,2,3,4-tetrahydropyridin-2-one","Acta Crystallographica Section E","2012","68","3","o753","","10.1107/S1600536812005776","","","0.71073","MoKα","","0.1279","0.0696","","","0.1273","0.1514","","","","","","0.961","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233908","9.7438","0.0006","9.9953","0.0005","12.1342","0.0006","90","","90","","90","","1181.78","0.11","296","","296","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2-Chloro-4-{(<i>E</i>)-[(4-chlorophenyl)imino]methyl}phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","JJ2120","Şahin, Zarife Sibel; Işık, Şamil","2-Chloro-4-{(<i>E</i>)-[(4-chlorophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","3","o678","","10.1107/S1600536812005193","","","0.71073","MoKα","","0.0406","0.0306","","","0.0611","0.0637","","","","","","0.964","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233909","7.6887","0.0003","12.9635","0.0005","13.6887","0.0005","98.943","0.003","100.292","0.003","105.174","0.003","1265.91","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis{[(4-methylphenyl)sulfonyl]oxy}propan-2-yl 4-methylbenzenesulfonate","","- C24 H26 O9 S3 -","- C23.9846 H26 O8.9934 S2.9978 -","- C47.9692 H52 O17.9868 S5.9956 -","2","1","JJ2124","Yusof, Yusrabbil Amiyati; Ariffin, Azhar; Abu Hassan, Hazimah; Ng, Seik Weng; Tiekink, Edward R. T.","1,3-Bis{[(4-methylphenyl)sulfonyl]oxy}propan-2-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","3","o909","o910","10.1107/S1600536812008227","","","1.54184","CuKα","","0.0381","0.0353","","","0.097","0.0997","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233910","6.4145","0.0003","10.0266","0.0005","11.7639","0.0006","101.606","0.003","92.24","0.002","103.932","0.002","716.28","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-2,5-dimethyl-1-benzofuran","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C32 H26 Br2 O4 S2 -","2","1","KP2381","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,5-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","3","o584","","10.1107/S1600536812002656","","","0.71073","MoKα","","0.0405","0.033","","","0.0831","0.0874","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233911","7.1094","0.0014","18.667","0.004","8.6603","0.0017","90","","93.57","0.03","90","","1147.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Carboxypiperidinium-1-yl)pyridine-3-carboxylate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","KP2382","Fan, Ping; Ge, Chunhua; Sun, Mingjun; Li, Weiwei; Shang, Runshan","2-(4-Carboxypiperidinium-1-yl)pyridine-3-carboxylate","Acta Crystallographica Section E","2012","68","3","o913","","10.1107/S1600536812005752","","","0.71073","MoKα","","0.0507","0.0423","","","0.1129","0.1184","","","","","","1.09","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233912","7.687","0.002","14.392","0.005","14.36","0.005","90","","95.053","0.009","90","","1582.5","0.9","73","2","73","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2,5-Dichlorothiophen-3-yl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone","","- C16 H10 Cl2 F3 N3 S -","- C16 H10 Cl2 F3 N3 S -","- C64 H40 Cl8 F12 N12 S4 -","4","1","KP2384","Dayananda, A. S.; Yathirajan, H. S.; Harrison, William T. A.; Slawin, Alexandra M. Z.","(<i>E</i>)-1-(2,5-Dichlorothiophen-3-yl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone","Acta Crystallographica Section E","2012","68","3","o790","","10.1107/S1600536812005673","","","0.71073","MoKα","","0.0617","0.0488","","","0.116","0.1277","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233913","7.0999","0.0014","7.239","0.0014","22.608","0.005","86.4","0.03","87.68","0.03","61.49","0.03","1019","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(hydrazin-1-ium) bis(μ~2~-pyridazine-3,6-dicarboxylato)bis(aqualithiate) octaaquabis(μ~3~-pyridazine-3,6-dicarboxylato)tetralithium","","- C24 H38 Li6 N12 O26 -","- C24 H38 Li6 N12 O26 -","- C24 H38 Li6 N12 O26 -","1","0.5","KP2385","Starosta, Wojciech; Leciejewicz, Janusz","Bis(hydrazin-1-ium) bis(μ~2~-pyridazine-3,6-dicarboxylato)bis(aqualithiate) octaaquabis(μ~3~-pyridazine-3,6-dicarboxylato)tetralithium","Acta Crystallographica Section E","2012","68","3","m324","m325","10.1107/S1600536812007192","","","0.71073","MoKα","","0.0979","0.0539","","","0.1568","0.2038","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233914","13.1311","0.001","13.6991","0.001","11.7821","0.0008","90","","103.106","0.002","90","","2064.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicyclohexyl(4-isopropylphenyl)phosphane selenide","","- C21 H33 P Se -","- C21 H33 P Se -","- C84 H132 P4 Se4 -","4","1","KP2386","Makhoba, Sizwe; Muller, Alfred; Phasha, Zanele","Dicyclohexyl(4-isopropylphenyl)phosphane selenide","Acta Crystallographica Section E","2012","68","3","o648","","10.1107/S1600536812004643","","","0.71073","MoKα","","0.0324","0.0232","","","","0.0571","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233915","33.8741","0.0013","7.1294","0.0003","19.918","0.0009","90","","118.417","0.0002","90","","4230.6","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-Phenyl-2-(1-tosyl-1<i>H</i>-indol-3-ylcarbonyl)acrylonitrile","","- C25 H18 N2 O3 S -","- C25 H18 N2 O3 S -","- C200 H144 N16 O24 S8 -","8","1","KP2387","Paramasivam, S.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.","(<i>E</i>)-3-Phenyl-2-(1-tosyl-1<i>H</i>-indol-3-ylcarbonyl)acrylonitrile","Acta Crystallographica Section E","2012","68","3","o683","o684","10.1107/S1600536812004886","","","0.71073","MoKα","","0.1531","0.051","","","0.1313","0.1763","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233916","4.8531","0.0007","11.015","0.002","11.787","0.002","69.59","0.01","78.77","0.01","83.62","0.02","578.59","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Methyl-2-nitrophenyl)succinamic acid","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C22 H24 N4 O10 -","2","1","KP2388","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methyl-2-nitrophenyl)succinamic acid","Acta Crystallographica Section E","2012","68","3","o819","","10.1107/S1600536812007258","","","0.71073","MoKα","","0.058","0.0459","","","0.1102","0.1187","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233917","9.005","0.001","13.491","0.002","8.757","0.001","90","","97.91","0.01","90","","1053.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Chloro-4-methylphenyl)maleamic acid","","- C11 H10 Cl N O3 -","- C11 H10 Cl N O3 -","- C44 H40 Cl4 N4 O12 -","4","1","KP2391","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chloro-4-methylphenyl)maleamic acid","Acta Crystallographica Section E","2012","68","3","o889","","10.1107/S1600536812007842","","","0.71073","MoKα","","0.0446","0.0367","","","0.0991","0.1054","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233918","7.3649","0.0002","11.4723","0.0003","17.6114","0.0005","84.345","0.002","84.631","0.002","71.711","0.002","1402.89","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxybenzylidene)-2<i>H</i>-1,3-benzodithiole 1,1,3,3-tetraoxide","","- C15 H12 O5 S2 -","- C15 H12 O5 S2 -","- C60 H48 O20 S8 -","4","2","LD2042","Asahara, Haruyasu; Mayer, Peter; Mayr, Herbert","2-(4-Methoxybenzylidene)-2<i>H</i>-1,3-benzodithiole 1,1,3,3-tetraoxide","Acta Crystallographica Section E","2012","68","3","o567","","10.1107/S1600536812002826","","","0.71073","MoKα","","0.0445","0.0366","","","0.0893","0.0933","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233919","9.2471","0.0017","12.53","0.002","13.275","0.002","90","","131.528","0.01","90","","1151.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl 4,4'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzoate","ethyl 4-[2-(2-{2-[4-(ethoxycarbonyl)phenoxy]ethoxy}ethoxy)ethoxy]benzoate","","- C24 H30 O8 -","- C24 H30 O8 -","- C48 H60 O16 -","2","0.5","LD2043","Ma, Zhen; Qin, Haisha; Lai, Gang; Fan, Jingjie","Diethyl 4,4'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzoate","Acta Crystallographica Section E","2012","68","3","o714","","10.1107/S1600536812004874","","","0.71073","MoKα","","0.1016","0.0509","","","0.1318","0.1638","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233920","16.058","0.002","16.058","0.002","14.343","0.003","90","","90","","90","","3698.5","1","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","DL-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","LD2046","Zhao, Jing-Min","<small>DL</small>-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","3","o745","","10.1107/S1600536812005892","","","0.71073","MoKα","","0.147","0.0663","","","0.1293","0.1607","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233921","12.896","0.003","7.2143","0.0008","9.6324","0.0012","90","","106.474","0.017","90","","859.4","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-amino-6-oxohexanoate","","- C7 H13 N O3 -","- C7 H13 N O3 -","- C28 H52 N4 O12 -","4","1","LH5383","Gruber, Tobias; Schofield, Christopher J.; Thompson, Amber L.","Methyl 6-amino-6-oxohexanoate","Acta Crystallographica Section E","2012","68","3","o593","o594","10.1107/S1600536812003303","","","1.54184","CuKα","","0.0544","0.0439","","0.1281","0.1183","0.1277","","","","","","0.9965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233922","9.8469","0.0002","5.3263","0.0001","13.2804","0.0002","90","","99.4638","0.001","90","","687.04","0.02","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-3-oxopropanaminium chloride","","- C4 H10 Cl N O2 -","- C4 H10 Cl N O2 -","- C16 H40 Cl4 N4 O8 -","4","1","LH5384","Gruber, Tobias; Schofield, Christopher J.; Thompson, Amber L.","3-Methoxy-3-oxopropanaminium chloride","Acta Crystallographica Section E","2012","68","3","o595","","10.1107/S1600536812003297","","","0.71073","MoKα","","0.0356","0.0316","","0.0803","0.0728","0.0803","","","","","","0.9248","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233923","7.2283","0.0004","10.2301","0.0005","11.9079","0.0006","100.929","0.001","97.318","0.001","91.36","0.001","856.49","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","{5-Chloro-2-[(4-chlorobenzylidene)amino]phenyl}(phenyl)methanone","","- C20 H13 Cl2 N O -","- C20 H13 Cl2 N O -","- C40 H26 Cl4 N2 O2 -","2","1","LH5403","Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Yasmeen, Shazia; Yousuf, Sammer","{5-Chloro-2-[(4-chlorobenzylidene)amino]phenyl}(phenyl)methanone","Acta Crystallographica Section E","2012","68","3","o644","","10.1107/S1600536812004655","","","0.71073","MoKα","","0.0533","0.0372","","","0.091","0.102","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233924","12.7282","0.0004","14.0676","0.0004","17.0771","0.0005","90","","90","","90","","3057.74","0.16","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1,3,3-Tetraethylisoindolin-2-ium chloride","","- C16 H26 Cl N -","- C16 H26 Cl N -","- C128 H208 Cl8 N8 -","8","1","LH5407","Smith, Graham; Wermuth, Urs D.","1,1,3,3-Tetraethylisoindolin-2-ium chloride","Acta Crystallographica Section E","2012","68","3","o659","","10.1107/S1600536812004588","","","0.71073","MoKα","","0.0568","0.0342","","","0.0815","0.0861","","","","","","0.912","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233925","9.715","0.002","14.725","0.003","21.159","0.005","90","","90","","90","","3026.9","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(4-chlorophenyl)-<i>N</i>^1^,<i>N</i>^4^-bis(1-phenylethyl)- 1,2,4,5-tetrazine-1,4-dicarboxamide","","- C32 H28 Cl2 N6 O2 -","- C32 H28 Cl2 N6 O2 -","- C128 H112 Cl8 N24 O8 -","4","1","LH5409","Sun, Na-Bo; Ni, Jia-Bin; Rao, Guo-Wu","3,6-Bis(4-chlorophenyl)-<i>N</i>^1^,<i>N</i>^4^-bis(1-phenylethyl)-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","3","o598","o599","10.1107/S1600536812003765","","","0.71073","MoKα","","0.0793","0.0416","","","0.085","0.099","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233926","8.2882","0.0004","9.0722","0.0004","10.0179","0.0005","90","","91.882","0.001","90","","752.86","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,1'-(Ethane-1,2-diyl)dipyridinium dichromate(VI)","","- C12 H14 Cr2 N2 O7 -","- C12 H14 Cr2 N2 O7 -","- C24 H28 Cr4 N4 O14 -","2","1","LH5410","Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Kia, Mehdi; Rheingold, Arnold L.; Golen, James A.","1,1'-(Ethane-1,2-diyl)dipyridinium dichromate(VI)","Acta Crystallographica Section E","2012","68","3","m305","","10.1107/S1600536812005430","","","0.71073","MoKα","","0.0285","0.0273","","","0.0661","0.0673","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233927","15.288","0.007","8.213","0.003","16.473","0.007","90","","90.171","0.008","90","","2068.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{4,4'-Dibromo-6,6'-dimethoxy-2,2'-[1,2- phenylenebis(nitrilomethanylylidene)]- κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}nickel(II)","","- C22 H16 Br2 N2 Ni O4 -","- C22 H16 Br2 N2 Ni O4 -","- C88 H64 Br8 N8 Ni4 O16 -","4","1","LH5411","Sun, Yongling","{4,4'-Dibromo-6,6'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}nickel(II)","Acta Crystallographica Section E","2012","68","3","m282","","10.1107/S1600536812004321","","","0.71073","MoKα","","0.0902","0.0647","","","0.1529","0.1702","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233928","15.285","0.003","6.5977","0.0014","16.729","0.004","90","","106.576","0.003","90","","1616.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3,6-Dimethyl-1,2,4,5-tetrazine-1,4-diyl)bis[(morpholin-4-yl)methanone]","","- C14 H22 N6 O4 -","- C14 H22 N6 O4 -","- C56 H88 N24 O16 -","4","1","LH5412","Sun, Na-Bo; Guo, Yan-Mei; Rao, Guo-Wu","(3,6-Dimethyl-1,2,4,5-tetrazine-1,4-diyl)bis[(morpholin-4-yl)methanone]","Acta Crystallographica Section E","2012","68","3","o681","","10.1107/S1600536812004849","","","0.71073","MoKα","","0.061","0.0487","","","0.1309","0.1418","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233929","5.8772","0.0016","10.892","0.002","12.562","0.002","90","","100.29","0.02","90","","791.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,4-Dimethylpiperazinium 3-hydroxy-2-naphthoate","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","LH5414","Craig, Gemma E.; Johnson, Carla; Kennedy, Alan R.","1,4-Dimethylpiperazin-1-ium 3-hydroxy-2-naphthoate","Acta Crystallographica Section E","2012","68","3","o787","","10.1107/S1600536812005375","","","0.71073","MoKα","","0.0871","0.0456","","","0.1061","0.1208","","","","","","0.829","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233930","13.0225","0.0013","5.7767","0.0006","21.708","0.002","90","","90","","90","","1633","0.3","100","1","100","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine","","- C7 H6 Cl N3 S -","- C7 H6 Cl N3 S -","- C56 H48 Cl8 N24 S8 -","8","2","LH5415","Fun, Hoong-Kun; Ooi, Chin Wei; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine","Acta Crystallographica Section E","2012","68","3","o691","o692","10.1107/S1600536812005442","","","0.71073","MoKα","","0.0198","0.0194","","","0.0518","0.0522","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233931","10.6704","0.0007","12.3561","0.0008","20.7734","0.0014","74.839","0.0011","84.898","0.001","66.848","0.001","2430.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-naphthalene-1-acetato- κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide- κ<i>O</i>)copper(II)]","","- C54 H50 Cu2 N2 O10 -","- C54 H50 Cu2 N2 O10 -","- C108 H100 Cu4 N4 O20 -","2","1","LH5416","Yin, Fu-Jun; Gu, Yu; Zhao, Hong; Bai, Di-Si","Tetrakis(μ-naphthalene-1-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2012","68","3","m350","","10.1107/S1600536812007064","","","0.71073","MoKα","","0.0535","0.0427","","","0.1066","0.1148","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233932","24.6534","0.0004","10.0118","0.0001","18.4507","0.0003","90","","98.027","0.001","90","","4509.47","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Chlorido[2-({[2-(diphenylphosphanyl)benzylidene]amino}methyl)thiophene- κ^2^<i>N</i>,<i>P</i>]methylpalladium(II)","","- C25 H23 Cl N P Pd S -","- C25 H23 Cl N P Pd S -","- C200 H184 Cl8 N8 P8 Pd8 S8 -","8","1","LH5417","Motswainyana, William M.; Onani, Martin O.; Lalancette, Roger A.","Chlorido[2-({[2-(diphenylphosphanyl)benzylidene]amino}methyl)thiophene-κ^2^<i>N</i>,<i>P</i>]methylpalladium(II)","Acta Crystallographica Section E","2012","68","3","m339","","10.1107/S1600536812007295","","","1.54178","CuKα","","0.025","0.024","","","0.061","0.062","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233933","11.863","0.01","13.019","0.011","13.199","0.011","107.214","0.012","105.78","0.015","100.892","0.011","1792","3","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-methyldithiocarbamato-κ<i>S</i>][2,4,6- tris(pyridin-2-yl)-1,3,5-triazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]zinc dioxane sesquisolvate","","- C32 H40 N8 O5 S4 Zn -","- C32 H40 N8 O5 S4 Zn -","- C64 H80 N16 O10 S8 Zn2 -","2","1","LH5418","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-methyldithiocarbamato-κ<i>S</i>][2,4,6-tris(pyridin-2-yl)-1,3,5-triazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]zinc dioxane sesquisolvate","Acta Crystallographica Section E","2012","68","3","m319","m320","10.1107/S160053681200671X","","","0.71069","MoKα","","0.098","0.0847","","","0.2072","0.2218","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233934","4.9427","0.0003","11.501","0.0006","14.0006","0.0008","90","","90.271","0.006","90","","795.87","0.08","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C16 H16 Cl N O2 S2 -","- C16 H16 Cl N O2 S2 -","- C32 H32 Cl2 N2 O4 S4 -","2","1","LH5420","Kumar, K. Mahesh; Kour, Dalbir; Kapoor, Kamini; Mahabaleshwaraiah, N. M.; Kotresh, O.; Gupta, Vivek K.; Kant, Rajni","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","3","o878","o879","10.1107/S1600536812007933","","","0.71073","MoKα","","0.0372","0.0346","","","0.0795","0.082","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233935","9.5495","0.0007","16.4294","0.0012","17.7237","0.0013","90","","104.579","0.001","90","","2691.2","0.3","185","","185","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-{(<i>E</i>)-10-[(2,6-Diisopropylphenyl)imino]-9,10- dihydrophenanthren-9-ylidene}-2,6-dimethylaniline","","- C34 H34 N2 -","- C34 H34 N2 -","- C136 H136 N8 -","4","1","LR2046","Li, Dongni; Yu, Hongmei; Yu, Tianhua; Liang, Haiying; Liu, Tiemei","(<i>Z</i>)-<i>N</i>-{(<i>E</i>)-10-[(2,6-Diisopropylphenyl)imino]-9,10-dihydrophenanthren-9-ylidene}-2,6-dimethylaniline","Acta Crystallographica Section E","2012","68","3","o607","","10.1107/S1600536812003790","","","0.71073","MoKα","","0.096","0.0829","","","0.1561","0.1614","","","","","","1.274","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233936","15.9259","0.0011","8.4898","0.0004","27.6362","0.0019","90","","93.468","0.005","90","","3729.8","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-3-(hydroxymethyl)pyridinium 2-benzoylbenzoate monohydrate","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C160 H160 N16 O40 -","8","1","LR2047","Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa","2-Amino-3-(hydroxymethyl)pyridinium 2-benzoylbenzoate monohydrate","Acta Crystallographica Section E","2012","68","3","o707","o708","10.1107/S1600536812005612","","","0.71073","MoKα","","0.125","0.0622","","","0.1306","0.1555","","","","","","0.953","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233937","6.651","0.003","14.208","0.007","25.854","0.012","90","","90","","90","","2443","2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{μ-2-[4-(Benzothiazol-2-yl)benzyl]-2-azapropane-1,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)]","","- C22 H14 Fe2 N2 O6 S3 -","- C22 H14 Fe2 N2 O6 S3 -","- C88 H56 Fe8 N8 O24 S12 -","4","1","LR2050","Gao, Shang; Duan, Qian; Jiang, Da-yong","{μ-2-[4-(Benzothiazol-2-yl)benzyl]-2-azapropane-1,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)]","Acta Crystallographica Section E","2012","68","3","m315","","10.1107/S1600536812006861","","","0.71073","MoKα","","0.0362","0.027","","","0.0495","0.0519","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233938","9.133","0.003","12.191","0.004","15.038","0.006","66.116","0.007","85.263","0.009","77.08","0.006","1492.1","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","6,7-Bis(bromomethyl)-2,11,18,21,24,27- hexaoxatetracyclo[26.4.0.0^4,9^.0^12,17^]dotriaconta- 1(28),4,6,8,12(17),13,15,29,31-nonaene dichloromethane monosolvate","","- C29 H32 Br2 Cl2 O6 -","- C29 H32 Br2 Cl2 O6 -","- C58 H64 Br4 Cl4 O12 -","2","1","LX2226","Beack, Hyun Jin; Yoo, Seung Mee; Kim, Jae Eun; Sim, Wonbo; Lee, Jai Young","6,7-Bis(bromomethyl)-2,11,18,21,24,27-hexaoxatetracyclo[26.4.0.0^4,9^.0^12,17^]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nonaene dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","3","o720","","10.1107/S160053681200565X","","","0.71073","MoKα","","0.1842","0.0789","","","0.1681","0.2427","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233939","7.3335","0.0011","12.956","0.002","21.506","0.003","90","","90","","90","","2043.3","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Methylnaltrexone bromide methanol monosolvate","(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-cyclopropylmethyl- 4a,9-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,12- methanobenzofuro[3,2-<i>e</i>]isoquinolin-3-ium bromide methanol monosolvate","","- C22 H30 Br N O5 -","- C22 H30 Br N O5 -","- C88 H120 Br4 N4 O20 -","4","1","MW2034","Li, Guoqing; Cai, Xu; Zheng, Zhibing; Zhou, Xinbo; Li, Song","Methylnaltrexone bromide methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o827","","10.1107/S1600536812005545","","","0.71073","MoKα","","0.0309","0.0237","","","0.0454","0.0466","","","","","","0.9","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233940","18.0199","0.0005","9.6391","0.0002","21.0754","0.0007","90","","90","","90","","3660.7","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 2-amino-4,6-bis(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","","- C21 H19 F2 N O2 -","- C21 H19 F2 N O2 -","- C168 H152 F16 N8 O16 -","8","1","MW2046","Jasinski, Jerry P.; Golen, James A.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","Ethyl 2-amino-4,6-bis(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","Acta Crystallographica Section E","2012","68","3","o585","","10.1107/S160053681200373X","","","1.54178","CuKα","","0.0693","0.055","","","0.1635","0.1801","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233941","13.8606","0.0012","7.69","0.0007","21.5052","0.0019","90","","92.447","0.001","90","","2290.1","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{μ-2-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-azapropane-1,3-dithiolato- κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)]","","- C21 H12 Fe2 N2 O6 S3 -","- C21 H12 Fe2 N2 O6 S3 -","- C84 H48 Fe8 N8 O24 S12 -","4","1","MW2048","Gao, Shang; Duan, Qian; Jiang, Da-yong","{μ-2-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-azapropane-1,3-dithiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)]","Acta Crystallographica Section E","2012","68","3","m248","","10.1107/S1600536812003753","","","0.71073","MoKα","","0.0259","0.0231","","","0.062","0.0631","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233942","7.661","0.003","18.999","0.007","11.732","0.004","90","","104.96","0.006","90","","1649.7","1.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[(thiourea- κ<i>S</i>)zinc] dihydrate","","- C20 H26 N10 O14 S4 Zn2 -","- C20 H26 N10 O14 S4 Zn2 -","- C40 H52 N20 O28 S8 Zn4 -","2","0.5","MW2049","Gao, Hui-Peng; Guo, Ming-Lin","Bis(μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[(thiourea-κ<i>S</i>)zinc] dihydrate","Acta Crystallographica Section E","2012","68","3","m264","","10.1107/S1600536812004679","","","0.71073","MoKα","","0.0299","0.0238","","","0.0627","0.0642","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233943","19.148","0.006","4.703","0.0015","11.571","0.004","90","","90.159","0.005","90","","1042","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Isopropyl gallate","Isopropyl 3,4,5-trihydroxybenzoate","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","MW2052","Lan, Wei; Shen, Xu-Ji; Xiao, Chao-Ni; Wang, Shi-Xiang; Zheng, Xiao-Hui","Isopropyl 3,4,5-trihydroxybenzoate","Acta Crystallographica Section E","2012","68","3","o650","","10.1107/S1600536812004278","","","0.71073","MoKα","","0.0552","0.0424","","","0.1233","0.1324","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233944","17.428","0.013","9.391","0.007","16.17","0.013","90","","111.995","0.007","90","","2454","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-3-(4-chlorophenyl)-2-isobutylamino-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C26 H27 Cl N4 O S -","- C26 H27 Cl N4 O S -","- C104 H108 Cl4 N16 O4 S4 -","4","1","NC2265","Chen, Hong; Liao, Quan-Bin","7-Benzyl-3-(4-chlorophenyl)-2-isobutylamino-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","3","o822","","10.1107/S1600536812007246","","","0.71073","MoKα","","0.1084","0.0703","","","0.1459","0.1636","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233945","15.4012","0.0005","10.7035","0.0003","17.8548","0.0005","90","","90.491","0.003","90","","2943.2","0.15","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Picolinato-κ^2^<i>N</i>,<i>O</i>)[Tris(2-isopropyl-1<i>H</i>-imidazol- 4-yl-κ<i>N</i>^3^)phosphane]cobalt(II) nitrate","","- C24 H31 Co N8 O5 P -","- C24 H31 Co N8 O5 P -","- C96 H124 Co4 N32 O20 P4 -","4","1","NC2266","Reiss, Guido J.; Börgardts, Markus; Kunz, Peter C.","(Picolinato-κ^2^<i>N</i>,<i>O</i>)[tris(2-isopropyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)phosphane]cobalt(II) nitrate","Acta Crystallographica Section E","2012","68","3","m265","m266","10.1107/S1600536812004485","","","0.71073","MoKα","","0.0585","0.0423","","","0.0806","0.0862","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233946","12.6771","0.0017","9.241","0.0013","12.7055","0.0018","90","","93.09","0.003","90","","1486.3","0.4","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 2,2-diphenyl-2-(prop-2-yn-1-yloxy)acetate","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","NC2267","Sumathi, H. P.; Flörke, Ulrich; Yathirajan, H. S.; Dayananda, A. S.; Ramesha, A. R.","Methyl 2,2-diphenyl-2-(prop-2-yn-1-yloxy)acetate","Acta Crystallographica Section E","2012","68","3","o874","","10.1107/S1600536812007982","","","0.71073","MoKα","","0.0716","0.0477","","","0.1041","0.1172","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233947","12.2046","0.0008","12.6121","0.0009","18.433","0.001","90","","90","","90","","2837.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","NC2268","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet","<i>N</i>-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o786","","10.1107/S160053681200640X","","","0.71073","MoKα","","0.1214","0.0742","","","0.1296","0.1473","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233948","11.3384","0.0004","21.1383","0.0008","6.957","0.0003","90","","93.61","0.002","90","","1664.11","0.11","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","NK2125","Penthala, Narsimha Reddy; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile","Acta Crystallographica Section E","2012","68","3","o729","","10.1107/S1600536812005855","","","1.54178","CuKα","","0.0412","0.0368","","","0.0937","0.0968","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233949","31.2788","0.0005","9.7215","0.0001","12.4508","0.0002","90","","107.936","0.002","90","","3602","0.1","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6,6'-Dimethyl-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C160 H208 N16 O16 -","8","1","NK2137","Rivera, Augusto; González, Derly Marcela; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","6,6'-Dimethyl-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","3","o698","o699","10.1107/S1600536812005284","","","1.5418","CuKα","","0.04","0.0338","","","0.0951","0.1","","","","","","1.61","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233950","19.0097","0.0014","9.0667","0.0007","9.1999","0.0008","90","","92.022","0.007","90","","1584.7","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide hydrogen cyclohexane-1,2-dicarboxylate","<i>rac</i>-4-Carbamoylpiperidinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","NK2139","Smith, Graham; Wermuth, Urs D.","<i>rac</i>-4-Carbamoylpiperidinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","Acta Crystallographica Section E","2012","68","3","o660","","10.1107/S1600536812004710","","","0.71073","MoKα","","0.1146","0.0751","","","0.1645","0.1824","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233951","7.9674","0.0011","8.6993","0.0017","11.596","0.002","104.499","0.017","94.871","0.014","95.001","0.014","770.4","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl <i>N</i>-(2-benzoyl-4-chlorophenyl)ethanecarboximidate","","- C17 H16 Cl N O2 -","- C17 H16 Cl N O2 -","- C34 H32 Cl2 N2 O4 -","2","1","NK2143","Sumathi, H. P.; Dayananda, A. S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej","Ethyl <i>N</i>-(2-benzoyl-4-chlorophenyl)ethanecarboximidate","Acta Crystallographica Section E","2012","68","3","o916","","10.1107/S1600536812007763","","","0.7107","MoKα","","0.0663","0.0435","","","0.1029","0.1174","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233952","23.642","0.005","16.171","0.004","5.1523","0.0011","90","","90","","90","","1969.8","0.8","93","","93","","","","","","","","","3","P n a 21","P 2c -2n","33","","9-Ethynyl-9<i>H</i>-carbazole","","- C14 H9 N -","- C14 H9 N -","- C112 H72 N8 -","8","2","NK2144","Tabata, Hideyuki; Okuno, Tsunehisa","9-Ethynyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","3","o828","","10.1107/S1600536812007143","","","0.71075","MoKα","","","0.0501","","","","0.1343","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233953","8.1144","0.0005","12.225","0.0005","15.3505","0.0009","90","","102.479","0.006","90","","1486.77","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2,6-dichlorobenzyl)selane","","- C14 H10 Cl4 Se -","- C14 H10 Cl4 Se -","- C56 H40 Cl16 Se4 -","4","1","NK2146","Zhou, Mei-Yun; Li, Yi-Qun; Zheng, Wen-Jie","Bis(2,6-dichlorobenzyl)selane","Acta Crystallographica Section E","2012","68","3","o921","","10.1107/S1600536812008318","","","0.7107","MoKα","","0.0683","0.0455","","","0.1125","0.1274","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233954","7.7122","0.0012","10.1577","0.0015","19.185","0.003","80.409","0.008","79.718","0.009","80.407","0.008","1443.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Adefovir dipivoxil 0.5succinic acid","Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9<i>H</i>-purin-9-yl)ethoxy]methyl}phosphonate‒succinic acid (2/1)","","- C44 H70 N10 O20 P2 -","- C44 H70 N10 O20 P2 -","- C44 H70 N10 O20 P2 -","1","0.5","PK2386","Jung, Sungyup; Ha, Jeong-Myeong; Kim, Il Won","Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9<i>H</i>-purin-9-yl)ethoxy]methyl}phosphonate‒succinic acid (2/1)","Acta Crystallographica Section E","2012","68","3","o809","o810","10.1107/S1600536812006873","","","0.71073","MoKα","","0.0737","0.0462","","","0.1308","0.1429","","","","","","1.008","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2233955","5.8472","0.0001","80.3936","0.0009","8.6219","0.0001","90","","103.292","0.001","90","","3944.39","0.09","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Benzyl-<i>N</i>-methylpiperazine-1-carbothioamide","","- C13 H19 N3 S -","- C13 H19 N3 S -","- C156 H228 N36 S12 -","12","3","PK2388","Alanazi, Amer M.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Benzyl-<i>N</i>-methylpiperazine-1-carbothioamide","Acta Crystallographica Section E","2012","68","3","o712","o713","10.1107/S1600536812005685","","","1.54184","CuKα","","0.032","0.032","","","0.0868","0.0868","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233956","12.0713","0.0009","23.4762","0.001","34.496","0.002","90","","90","","90","","9775.8","1","173","2","173","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","2,2'-[(2<i>S</i>*,6<i>R</i>*)-Piperidine-2,6-diyl]dipropan-2-ol","","- C11 H23 N O2 -","- C11 H23 N O2 -","- C352 H736 N32 O64 -","32","1","PK2389","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","2,2'-[(2<i>S</i>*,6<i>R</i>*)-Piperidine-2,6-diyl]dipropan-2-ol","Acta Crystallographica Section E","2012","68","3","o857","","10.1107/S1600536812005879","","","0.71073","MoKα","","0.1441","0.0856","","","0.1284","0.1462","","","","","","1.163","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233957","6.6241","0.0003","13.6873","0.0006","13.9726","0.0006","90","","90","","90","","1266.84","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>,6<i>R</i>,7a<i>R</i>)-2-Benzyl-1,6- dihydroxyhexahydropyrrolizin-3-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","PV2494","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1<i>S</i>,2<i>S</i>,6<i>R</i>,7a<i>R</i>)-2-Benzyl-1,6-dihydroxyhexahydropyrrolizin-3-one","Acta Crystallographica Section E","2012","68","3","o587","","10.1107/S1600536812002334","","","1.54178","CuKα","","0.0261","0.0261","","","0.078","0.0781","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233958","16.2068","0.0012","7.8839","0.0006","27.262","0.002","90","","90","","90","","3483.3","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{2-[(3-Bromobenzylidene)-amino]-5-chlorophenyl}(phenyl)methanone","","- C20 H13 Br Cl N O -","- C20 H13 Br Cl N O -","- C160 H104 Br8 Cl8 N8 O8 -","8","1","PV2506","Aslam, M.; Anis, I.; Afza, N.; Safder, M.; Yousuf, S.","{2-[(3-Bromobenzylidene)amino]-5-chlorophenyl}(phenyl)methanone","Acta Crystallographica Section E","2012","68","3","o645","","10.1107/S1600536812004667","","","0.71073","MoKα","","0.09","0.0445","","","0.0951","0.115","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233959","12.86","0.0013","17.6436","0.0017","22.732","0.002","90","","90","","90","","5157.8","0.9","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","μ~3~-bromo-tri-μ~3~-sulfido-oxo-tris (triphenylphosphane-<i>κp</i>)-tricopper(I)-tungsten(VI)","","- C54 H45 Br Cu3 O P3 S3 W -","- C54 H45 Br Cu3 O P3 S3 W -","- C216 H180 Br4 Cu12 O4 P12 S12 W4 -","4","1","PV2509","Huang, Wenjiang; Zhang, Jinfang; Zhang, Chi","μ~3~-Bromido-oxidotri-μ~3~-sulfido-tris(triphenylphosphane-κ<i>P</i>)tricopper(I)tungsten(VI)","Acta Crystallographica Section E","2012","68","3","m281","","10.1107/S1600536812004631","","","0.7107","MoKα","","0.0571","0.047","","","0.0984","0.1135","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233960","11.4572","0.0006","9.5782","0.0003","13.8108","0.0006","90","","114.047","0.005","90","","1384.05","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{4-bromo-2-[(naphthalen-1-ylimino)methyl]phenolato- κ^2^<i>N</i>,<i>O</i>}copper(II)","","- C34 H22 Br2 Cu N2 O2 -","- C34 H22 Br2 Cu N2 O2 -","- C68 H44 Br4 Cu2 N4 O4 -","2","0.5","PV2510","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","Bis{4-bromo-2-[(naphthalen-1-ylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(II)","Acta Crystallographica Section E","2012","68","3","m278","","10.1107/S1600536812004989","","","1.54184","CuKα","","0.0773","0.0739","","","0.1552","0.1572","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233961","15.422","0.003","23.068","0.005","7.6141","0.0015","90","","92.6","0.03","90","","2706","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(3,5-Dichlorophenyl)-3-(2-methoxyphenyl)triaz-1-ene","","- C13 H11 Cl2 N3 O -","- C13 H11 Cl2 N3 O -","- C104 H88 Cl16 N24 O8 -","8","1","PV2511","Melardi, Mohammad Reza; Aghamohamadi, Maryam; Attar Gharamaleki, Jafar; Rofouei, Mohammad Kazem; Notash, Behrouz","1-(3,5-Dichlorophenyl)-3-(2-methoxyphenyl)triaz-1-ene","Acta Crystallographica Section E","2012","68","3","o724","","10.1107/S1600536812005132","","","0.71073","MoKα","","0.1193","0.0663","","","0.119","0.1366","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233962","7.6448","0.0006","21.405","0.002","8.5755","0.0007","90","","106.976","0.005","90","","1342.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{(<i>E</i>)-1-[2-(2-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol monohydrate","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C56 H60 N12 O20 -","4","1","PV2513","Howie, R. Alan; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","2-{(<i>E</i>)-1-[2-(2-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol monohydrate","Acta Crystallographica Section E","2012","68","3","o765","o766","10.1107/S1600536812006241","","","0.71073","MoKα","","0.163","0.0662","","","0.1486","0.1936","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233963","29.192","0.004","3.911","0.0003","11.2025","0.0007","90","","90","","90","","1279","0.2","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-2-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]-2,3-dihydro-1<i>H</i>- inden-1-one","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","PV2516","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","3","o814","","10.1107/S1600536812007131","","","0.71073","MoKα","","0.0489","0.0421","","","0.0969","0.1012","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233964","7.84","0.002","8.815","0.003","23.079","0.003","90","","99.68","0.002","90","","1572.3","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua{4-chloro-2-[(pyridin-2-ylmethyl)iminomethyl]phenolato}copper(II) nitrate monohydrate","","- C13 H14 Cl Cu N3 O6 -","- C13 H14 Cl Cu N3 O6 -","- C52 H56 Cl4 Cu4 N12 O24 -","4","1","QM2051","Yu, Jing","A second polymorph of aqua{4-chloro-2-[(pyridin-2-ylmethyl)iminomethyl]phenolato}copper(II) nitrate monohydrate","Acta Crystallographica Section E","2012","68","3","m275","","10.1107/S1600536812004564","","","0.71073","MoKα","","0.0525","0.0366","","","0.0829","0.089","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233965","25.3105","0.0004","25.3105","0.0004","6.0995","0.0002","90","","90","","90","","3907.47","0.16","298.6","0.6","298.6","0.6","","","","","","","","3","I 41/a :2","-I 4ad","88","","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalen-1-ol","","- C13 H12 O -","- C13 H12 O -","- C208 H192 O16 -","16","1","QM2052","Çelik, Ísmail; Akkurt, Mehmet; Tutar, Ahmet; Erenler, Ramazan; García-Granda, Santiago","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalen-1-ol","Acta Crystallographica Section E","2012","68","3","o687","","10.1107/S1600536812005181","","","1.5418","CuKα","","0.0485","0.0439","","","0.1196","0.1259","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233966","7.987","0.0013","8.9811","0.0014","11.3907","0.0018","91.093","0.002","99.873","0.002","114.57","0.002","728.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-[(4-Bromophenylimino)methyl]-4,6-diiodophenol","","- C13 H8 Br I2 N O -","- C13 H8 Br I2 N O -","- C26 H16 Br2 I4 N2 O2 -","2","1","QM2053","Ji, Hao; Ma, Hua-Ping; Yang, Yong-An; Zhu, Hai-Liang","2-[(4-Bromophenylimino)methyl]-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o788","","10.1107/S160053681200551X","","","0.71073","MoKα","","0.0452","0.0319","","","0.0837","0.0939","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233967","12.777","0.0003","5.1384","0.0001","19.0973","0.0004","90","","91.814","0.002","90","","1253.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","QM2054","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section E","2012","68","3","o862","","10.1107/S1600536812007301","","","1.54184","CuKα","","0.0368","0.0332","","","0.0935","0.0975","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233968","11.722","0.002","9.227","0.0018","19.615","0.004","90","","104.52","0.03","90","","2053.8","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl 2,3,4-tri-<i>O</i>-acetyl-β-D-xyloside","","- C19 H19 N O10 -","- C19 H19 N O10 -","- C76 H76 N4 O40 -","4","2","RK2311","Tian, Runan; Haoriqinbatu; Liu, Hongchang; Wang, Xiaoming; Yang, Yonghua","1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl 2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xyloside","Acta Crystallographica Section E","2012","68","3","o635","","10.1107/S1600536812004369","","","0.71073","MoKα","","0.0723","0.0474","","","0.1182","0.1312","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233969","5.7174","0.0011","8.0934","0.001","16.972","0.004","90","","99.69","0.018","90","","774.1","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","1,3,5-Tris(pyridin-3-yl)-2,4-diazapenta-1,4-diene","","- C18 H15 N5 -","- C18 H15 N5 -","- C36 H30 N10 -","2","1","RK2325","Quiroa-Montalván, Claudia M.; Aguirre, Gerardo; Parra-Hake, Miguel","1,3,5-Tris(pyridin-3-yl)-2,4-diazapenta-1,4-diene","Acta Crystallographica Section E","2012","68","3","o746","","10.1107/S1600536812005909","","","0.71073","MoKα","","0.216","0.0695","","","0.0977","0.1345","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233970","8.5319","0.0012","8.8244","0.0012","19.688","0.003","90","","90","","90","","1482.3","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane- 1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']mercury(II)","","- C12 H19 Cl2 Hg N3 -","- C12 H19 Cl2 Hg N3 -","- C48 H76 Cl8 Hg4 N12 -","4","1","RK2329","Gao, Chuan-Zhu; Zhang, Xiu-Ying; Cheng, Lin","Dichlorido[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']mercury(II)","Acta Crystallographica Section E","2012","68","3","m235","","10.1107/S1600536812003340","","","0.71073","MoKα","","0.0215","0.0206","","","0.0445","0.0447","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233971","7.1906","0.0014","7.841","0.0017","10.6205","0.0015","97.779","0.015","109.04","0.015","91.864","0.018","558.95","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4,5-dichlorobenzene-1,2-dicarboxylate","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C20 H16 Cl4 O8 -","2","1","RK2334","Sun, Yongling","Dimethyl 4,5-dichlorobenzene-1,2-dicarboxylate","Acta Crystallographica Section E","2012","68","3","o834","","10.1107/S1600536812007167","","","0.71073","MoKα","","0.0432","0.0345","","","0.0873","0.0923","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233972","14.2763","0.0007","10.7038","0.0006","9.5245","0.0004","90","","108.087","0.005","90","","1383.53","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","RK2336","Rodrigues, Vinola Z.; Gowda, B. Thimme; Vrábel, Viktor; Kožíšek, Jozef","4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzamide","Acta Crystallographica Section E","2012","68","3","o820","","10.1107/S1600536812007180","","","0.71073","MoKα","","0.0782","0.0483","","","0.1393","0.1523","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233973","15.361","0.003","12.118","0.002","8.7317","0.0014","90","","100.717","0.004","90","","1597","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzonitrile","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","RK2339","Chang, Ming-Jen; Fang, Tzu-Chien; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","(<i>E</i>)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2012","68","3","o904","o905","10.1107/S1600536812008082","","","0.71073","MoKα","","0.1288","0.0547","","","0.1408","0.1706","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233974","17.4428","0.0004","16.2753","0.0004","16.3873","0.0004","90","","118.333","0.0011","90","","4094.82","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-κ<i>N</i>)benzenesulfonamidato- κ<i>N</i>](4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium dimethylformamide monosolvate","","- C38 H44 Cd N12 O6 S2 -","- C38 H44 Cd N12 O6 S2 -","- C152 H176 Cd4 N48 O24 S8 -","4","0.5","RN2090","Hossain, G. M. Golzar; Amoroso, A. J.","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-κ<i>N</i>)benzenesulfonamidato-κ<i>N</i>](4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","3","m276","m277","10.1107/S1600536812004412","","","0.71073","MoKα","","0.0516","0.0381","","","0.0868","0.093","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233975","10.0672","0.0001","16.7057","0.0002","17.5574","0.0002","90","","93.175","0.001","90","","2948.26","0.06","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trimethylsulfonium 1-amino-6-fluoro-2,3,4,5,7,8,9,10,11,12-decaiodo- 1-carba-<i>closo</i>-dodecaborate","","- C4 H11 B11 F I10 N S -","- C4 H11 B11 F I10 N S -","- C16 H44 B44 F4 I40 N4 S4 -","4","1","RU2027","Finze, Maik; Reiss, Guido J.","Trimethylsulfonium 1-amino-6-fluoro-2,3,4,5,7,8,9,10,11,12-decaiodo-1-carba-<i>closo</i>-dodecaborate","Acta Crystallographica Section E","2012","68","3","o640","","10.1107/S1600536812004424","","","0.71073","MoKα","","0.0256","0.0241","","","0.0518","0.0522","","","","","","1.312","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233976","18.3","0.0002","8.6326","0.0001","9.8172","0.0001","90","","102.095","0.0007","90","","1516.46","0.03","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","lithium nonacerium hexadecamolybdenum pentatridecaoxide","","- Ce9 Li Mo16 O35 -","- Ce9 Li Mo16 O35 -","- Ce18 Li2 Mo32 O70 -","2","0.25","RU2029","Gougeon, Patrick; Gall, Philippe","LiCe~9~Mo~16~O~35~","Acta Crystallographica Section E","2012","68","3","i21","i22","10.1107/S160053681200801X","","","0.71069","MoKα","","0.018","0.0164","","","0.0323","0.0325","","","","","","1.289","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233977","10.756","0.003","11.062","0.003","11.156","0.003","62.638","0.004","61.356","0.004","61.795","0.004","978.9","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","bis(triphenylsilyl) oxide toluene disolvate","triphenyl[(triphenylsilyl)oxy]silane toluene disolvate","","- C50 H46 O Si2 -","- C50 H46 O Si2 -","- C50 H46 O Si2 -","1","0.5","RZ2678","Purdy, Andrew P.; Smoot, Emily; Butcher, Ray J.; Kerr, Andrew","Triclinic polymorph of bis(triphenylsilyl) oxide toluene disolvate","Acta Crystallographica Section E","2012","68","3","o588","","10.1107/S160053681200356X","","","0.71073","MoKα","","0.1187","0.0884","","","0.2367","0.259","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233978","26.054","0.003","28.528","0.003","16.295","0.0015","90","","90","","90","","12112","2","113","2","113","2","","","","","","","","6","F d d 2","F 2 -2d","43","","4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate","","- C13 H20 F6 N O P -","- C13 H20 F6 N O P -","- C416 H640 F192 N32 O32 P32 -","32","2","RZ2692","Yang, Fang; Zang, Hongjun; Cheng, Bowen; Xu, Xianlin; Ren, Yuanlin","4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate","Acta Crystallographica Section E","2012","68","3","o840","","10.1107/S1600536812001006","","","0.7107","MoKα","","0.039","0.0364","","","0.076","0.0781","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233979","25.703","0.005","9.3679","0.0019","20.005","0.004","90","","111.58","0.03","90","","4479.2","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(triphenylphosphane-κ<i>P</i>)copper(I)]-di-μ-bromido- [(triphenylphosphane-κ<i>P</i>)copper(I)]-μ-1,3-bis(pyridin-4-yl)propane- κ^2^<i>N</i>:<i>N</i>']","","- C49 H44 Br2 Cu2 N2 P2 -","- C49 H44 Br2 Cu2 N2 P2 -","- C196 H176 Br8 Cu8 N8 P8 -","4","0.5","RZ2699","Huang, Wenjiang; Zhang, Jinfang; Zhang, Chi","<i>catena</i>-Poly[[(triphenylphosphane-κ<i>P</i>)copper(I)]-di-μ-bromido-[(triphenylphosphane-κ<i>P</i>)copper(I)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2012","68","3","m252","","10.1107/S1600536812004084","","","0.71073","MoKα","","0.0635","0.0466","","","0.0919","0.1003","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233980","9.0425","0.0004","11.1127","0.0005","13.3005","0.0006","68.016","0.001","84.588","0.001","79.735","0.001","1218.95","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","7'-(2,5-Dimethoxyphenyl)-1',3',5',6',7',7a'-hexahydrodispiro[indan-2,5'- pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione","3'-(2,5-dimethoxyphenyl)-1,1'',3,3',3'',3'a,4',6'-octahydrodispiro[indene- 2,1'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-2',2''-indene]-1,1'',3-trione","","- C30 H25 N O5 S -","- C30 H25 N O5 S -","- C60 H50 N2 O10 S2 -","2","1","RZ2700","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Razak, Ibrahim Abdul; Arshad, Suhana","7'-(2,5-Dimethoxyphenyl)-1',3',5',6',7',7a'-hexahydrodispiro[indan-2,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2012","68","3","o560","o561","10.1107/S1600536812003169","","","0.71073","MoKα","","0.0501","0.0377","","","0.0973","0.1056","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233981","10.6975","0.0007","10.6921","0.0007","18.3732","0.0013","90","","91.068","0.001","90","","2101.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-{2-[2,3-bis(methoxycarbonyl)guanido]-5-(phenylthio)phenyl}-\ 2-methoxyacetamide","Methyl <i>N</i>-({[2-(2-methoxyacetamido)-4- (phenylsulfanyl)phenyl]amino}[(methoxycarbonyl)imino]methyl)carbamate","","- C20 H22 N4 O6 S -","- C20 H22 N4 O6 S -","- C80 H88 N16 O24 S4 -","4","1","RZ2701","Fun, Hoong-Kun; Hemamalini, Madhukar; Divya, K.; Narayana, B.; Sarojini, B. K.","Methyl <i>N</i>-({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino}[(methoxycarbonyl)imino]methyl)carbamate","Acta Crystallographica Section E","2012","68","3","o581","o582","10.1107/S1600536812002760","","","0.71073","MoKα","","0.038","0.0332","","","0.0928","0.0966","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233982","12.3304","0.0009","9.8875","0.0002","12.2118","0.0003","90","","117.322","0.008","90","","1322.73","0.14","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C48 H40 F12 N12 O16 -","4","1","RZ2702","Trasi, Niraj S.; Fanwick, Phillip E.; Taylor, Lynne S.","Nilutamide","Acta Crystallographica Section E","2012","68","3","o591","","10.1107/S1600536812003728","","","1.54184","CuKα","","0.037","0.032","","","0.078","0.085","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233983","17.2983","0.0004","5.3397","0.0001","17.1669","0.0004","90","","118.195","0.001","90","","1397.52","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-fluorobenzenesulfonate","","- C16 H11 F O5 S -","- C16 H11 F O5 S -","- C64 H44 F4 O20 S4 -","4","1","RZ2704","Sinha, Suman; Osman, Hasnah; Wahab, Habibah A.; Hemamalini, Madhukar; Fun, Hoong-Kun","4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-fluorobenzenesulfonate","Acta Crystallographica Section E","2012","68","3","o641","o642","10.1107/S1600536812004394","","","0.71073","MoKα","","0.0713","0.0562","","","0.1458","0.1562","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233984","11.99","0.002","13.558","0.003","8.58","0.0017","90","","96.752","0.003","90","","1385.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-Nitro-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","","- C14 H10 N4 O5 -","- C14 H10 N4 O5 -","- C56 H40 N16 O20 -","4","1","RZ2706","Li, Xiao-Yan","(<i>E</i>)-3-Nitro-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o696","","10.1107/S1600536812005466","","","0.71073","MoKα","","0.145","0.0781","","","0.1279","0.1514","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233985","13.4825","0.0013","15.1586","0.0015","16.1281","0.0012","90","","116.815","0.006","90","","2941.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[1-(3-Chlorophenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C14 H11 Cl N4 O4 -","- C14 H11 Cl N4 O4 -","- C112 H88 Cl8 N32 O32 -","8","2","RZ2707","Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Karalai, Chatchanok","(<i>E</i>)-1-[1-(3-Chlorophenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2012","68","3","o704","o705","10.1107/S160053681200548X","","","0.71073","MoKα","","0.1056","0.0508","","","0.1461","0.1831","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233986","11.823","0.002","12.813","0.003","8.702","0.0017","90","","94.855","0.002","90","","1313.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-3-nitrobenzohydrazide","","- C14 H10 F N3 O3 -","- C14 H10 F N3 O3 -","- C56 H40 F4 N12 O12 -","4","1","RZ2708","Li, Xiao-Yan","(<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-3-nitrobenzohydrazide","Acta Crystallographica Section E","2012","68","3","o697","","10.1107/S1600536812005478","","","0.71073","MoKα","","0.1352","0.0798","","","0.1867","0.2179","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233987","8.4408","0.0012","26.844","0.004","10.4615","0.0013","90","","100.398","0.003","90","","2331.5","0.6","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro- 4<i>H</i>-chromen-2-aminium methanolate","","- C24 H23 Cl N2 O4 -","- C24 H23 Cl N2 O4 -","- C96 H92 Cl4 N8 O16 -","4","1","RZ2709","Sun, Rong; Wang, Ke; Wu, Dong-Dong; Huang, Wei; Ou, Yang-Bing","4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromen-2-aminium methanolate","Acta Crystallographica Section E","2012","68","3","o824","","10.1107/S1600536812007088","","","0.71073","MoKα","","0.0755","0.0564","","","0.1257","0.132","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233988","9.4833","0.0002","10.0838","0.0002","20.3885","0.0004","90","","101.513","0.001","90","","1910.48","0.07","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>,5<i>E</i>)-3,5-Bis(naphthalen-1-ylmethylidene)piperidin-4-one","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","RZ2710","Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Arshad, Suhana; Razak, Ibrahim Abdul","(3<i>E</i>,5<i>E</i>)-3,5-Bis(naphthalen-1-ylmethylidene)piperidin-4-one","Acta Crystallographica Section E","2012","68","3","o802","o803","10.1107/S1600536812006307","","","0.71073","MoKα","","0.0763","0.051","","","0.1125","0.1254","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233989","7.4418","0.0009","9.7027","0.0012","16.862","0.002","90","","90","","90","","1217.5","0.3","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-<i>N</i>-(3-Methoxyphenyl)-<i>tert</i>-butanesulfinamide","","- C11 H17 N O2 S -","- C11 H17 N O2 S -","- C44 H68 N4 O8 S4 -","4","1","RZ2711","Sun, Xiaofei; Dai, Chuan; Tu, Xingzhao; Wang, Wenguo; Zeng, Qingle","(<i>R</i>)-<i>N</i>-(3-Methoxyphenyl)-<i>tert</i>-butanesulfinamide","Acta Crystallographica Section E","2012","68","3","o773","","10.1107/S1600536812006496","","","0.7107","MoKα","","0.0576","0.0428","","","0.0836","0.0916","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233990","13.675","0.003","9.6518","0.0019","16.505","0.003","90","","102.84","0.03","90","","2124","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(2-Hydroxyphenyl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","RZ2712","Wang, Wen-xiang","1-[(2-Hydroxyphenyl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","3","o884","","10.1107/S1600536812007787","","","0.71073","MoKα","","0.1656","0.066","","","0.1444","0.184","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233991","5.0607","0.0009","11.086","0.002","27.629","0.005","90","","90","","90","","1550.1","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-4-Methoxy-<i>N</i>'-(3-ethoxy-4-hydroxybenzylidene)benzohydrazide","(<i>E</i>)-<i>N</i>'-(3-Ethoxy-4-hydroxybenzylidene)-4-methoxybenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","RZ2713","Fun, Hoong-Kun; Promdet, Premrudee; Horkaew, Jirapa; Karalai, Chatchanok; Chantrapromma, Suchada","(<i>E</i>)-<i>N</i>'-(3-Ethoxy-4-hydroxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","3","o849","o850","10.1107/S1600536812007374","","","0.71073","MoKα","","0.0785","0.0512","","","0.1368","0.1541","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233992","9.9383","0.0003","14.6494","0.0004","12.0097","0.0003","90","","108.535","0.001","90","","1657.8","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylbenzenesulfonamide","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","SJ5187","Vennila, Jasmine P.; Thiruvadigal, D. John; Kamala, E. Theboral Sugi; Kavitha, Helen P.; Manivannan, V.","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o882","","10.1107/S1600536812005272","","","0.71073","MoKα","","0.0535","0.0385","","","0.1042","0.1151","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233993","11.1716","0.0007","19.4025","0.0012","12.0025","0.0007","90","","106.245","0.001","90","","2497.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate","","- C41 H81.86 N O16.43 S2 -","- C41 H81.864 N O16.432 S2 -","- C82 H163.728 N2 O32.864 S4 -","2","1","SJ5188","Brüning, Jürgen; Trepte, Tanja K.; Bats, Jan W.; Schmidt, Martin U.","Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate","Acta Crystallographica Section E","2012","68","3","o700","o701","10.1107/S1600536812005223","","","0.71073","MoKα","","0.099","0.0621","","","0.1269","0.1422","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2233994","8.735","0.0017","9.275","0.0019","10.719","0.002","90","","99.83","0.03","90","","855.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-<i>N</i>-methylbenzamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","SJ5190","Yuan, Juan; Liu, Yan-Ju","4-Methoxy-<i>N</i>-methylbenzamide","Acta Crystallographica Section E","2012","68","3","o647","","10.1107/S1600536812004746","","","0.71073","MoKα","","0.0774","0.0523","","","0.1475","0.169","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233995","4.6989","0.0001","23.7246","0.0007","11.3635","0.0003","90","","91.646","0.001","90","","1266.27","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate monohydrate","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","SJ5191","Yasmeen, Rehana; Zia-ur-Rehman, Muhammad; Khattak, Muhammad Azim; Arshad, Muhammad Nadeem; Khan, Islam Ullah","Methyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","3","o630","o631","10.1107/S1600536812004333","","","0.71073","MoKα","","0.0762","0.0472","","","0.1331","0.1626","","","","","","0.983","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233996","21.9588","0.001","11.0866","0.0005","9.3132","0.0004","90","","90","","90","","2267.28","0.17","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Bromo-<i>N</i>-(4-hydroxybenzylidene)aniline","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C104 H80 Br8 N8 O8 -","8","1","SJ5193","Jothi, L.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-Bromo-<i>N</i>-(4-hydroxybenzylidene)aniline","Acta Crystallographica Section E","2012","68","3","o772","","10.1107/S1600536812006101","","","0.71073","MoKα","","0.0789","0.0562","","","0.1552","0.1737","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233997","10.7019","0.0014","7.1483","0.0009","32.404","0.004","90","","90","","90","","2478.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Diiodo-6-[(propylimino)methyl]phenol","","- C10 H11 I2 N O -","- C10 H11 I2 N O -","- C80 H88 I16 N8 O8 -","8","1","SJ5194","Liu, Peng-Gang; Wang, Xiao-Ning; Yang, Yong-An; Zhu, Hai-Liang","2,4-Diiodo-6-[(propylimino)methyl]phenol","Acta Crystallographica Section E","2012","68","3","o789","","10.1107/S1600536812005727","","","0.71073","MoKα","","0.0445","0.035","","","0.0969","0.1044","","","","","","1.234","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233998","8.8751","0.0003","8.8751","0.0003","15.9642","0.0005","90","","90","","90","","1257.46","0.07","295","2","295","2","","","","","","","","5","P 43","P 4cw","78","","2-Chloro-<i>N</i>-(3-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","SJ5196","Rodrigues, Vinola Z.; Gowda, B. Thimme; Vrábel, Viktor; Kožíšek, Jozef","2-Chloro-<i>N</i>-(3-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","3","o723","","10.1107/S1600536812005739","","","0.71073","MoKα","","0.0528","0.0306","","","0.0663","0.0694","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233999","8.7065","0.0005","11.7982","0.0008","17.5954","0.0012","90","","101.536","0.006","90","","1770.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-3-(3-Bromoanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1<i>H</i>- pyrazol-4-yl)but-2-en-1-one","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","SJ5199","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>Z</i>)-3-(3-Bromoanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)but-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o813","","10.1107/S1600536812006939","","","0.71073","MoKα","","0.0731","0.0465","","","0.0887","0.1051","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234000","7.643","0.002","9.055","0.003","10.876","0.003","84.865","0.002","72.732","0.002","77.479","0.002","701.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-Hydroxy-<i>N</i>'-(5-hydroxy-2-nitrobenzylidene)-3-methylbenzohydrazide","","- C15 H13 N3 O5 -","- C15 H13 N3 O5 -","- C30 H26 N6 O10 -","2","1","SU2366","Zhu, Zhao-Fu; Shao, Li-Juen; Shen, Xi-Hai","2-Hydroxy-<i>N</i>'-(5-hydroxy-2-nitrobenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","3","o559","","10.1107/S1600536812002437","","","0.71073","MoKα","","0.0927","0.0508","","","0.1121","0.1322","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234001","6.962","0.0014","10.727","0.002","16.932","0.003","90","","90","","90","","1264.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>*,5<i>R</i>*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","1","SU2367","Lv, Chun-Lei; Chen, Jian-Hui; Zhang, Yu-Zhe; Lu, Ding-Qiang; OuYang, Ping-Kai","(4<i>R</i>*,5<i>R</i>*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide","Acta Crystallographica Section E","2012","68","3","o558","","10.1107/S1600536812002401","","","0.71073","MoKα","","0.0529","0.0407","","","0.1259","0.1352","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234002","9.5035","0.0006","10.7413","0.0006","11.8625","0.0007","114.009","0.001","109.735","0.001","92.857","0.001","1016.2","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[1-butyl-3-methylimidazolium [[dichlorido(methanol- κ<i>O</i>)(propan-2-ol-κ<i>O</i>)lanthanate(III)]-di-μ-chlorido]]","","- C12 H27 Cl4 La N2 O2 -","- C12 H27 Cl4 La N2 O2 -","- C24 H54 Cl8 La2 N4 O4 -","2","1","SU2369","Han, Yulun; Dai, Fengrong; Sykes, Andrew G.; May, P. Stanley; Berry, Mary T.; Meng, Qingguo; Lin, Cuikun","<i>catena</i>-Poly[1-butyl-3-methylimidazolium [[dichlorido(methanol-κ<i>O</i>)(propan-2-ol-κ<i>O</i>)lanthanate(III)]-di-μ-chlorido]]","Acta Crystallographica Section E","2012","68","3","m292","m293","10.1107/S160053681200517X","","","0.71073","MoKα","","0.0258","0.0216","","","0.0473","0.0488","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234003","5.279","0.0011","10.244","0.002","13.834","0.003","69.05","0.03","80.11","0.03","78.79","0.03","681","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-Isopentyl 3-(3,4-dihydroxyphenyl)acrylate","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","SU2370","Gu, Shuang-Shuang; Wang, Jun; Pan, Fei; Pang, Na; Wu, Fu-An","(<i>E</i>)-Isopentyl 3-(3,4-dihydroxyphenyl)acrylate","Acta Crystallographica Section E","2012","68","3","o557","","10.1107/S1600536812003352","","","0.71073","MoKα","","0.1215","0.0587","","","0.1315","0.1555","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234004","8.3343","0.0003","9.3115","0.0004","13.8699","0.0006","92.896","0.002","104.669","0.002","96.06","0.002","1032.12","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C24 H15 Cl2 N3 O3 -","- C24 H15 Cl2 N3 O3 -","- C48 H30 Cl4 N6 O6 -","2","1","SU2371","Isloor, Arun M.; Malladi, Shridhar; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o616","o617","10.1107/S1600536812003960","","","0.71073","MoKα","","0.0344","0.0301","","","0.0817","0.0856","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234005","6.581","0.002","10.778","0.003","11.778","0.003","77.945","0.002","87.524","0.002","76.146","0.002","793.2","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-Methyl-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C32 H34 N6 O8 -","2","1","SU2372","Tang, Chun-Bao","(<i>E</i>)-3-Methyl-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o602","","10.1107/S1600536812003868","","","0.71073","MoKα","","0.1247","0.0583","","","0.1141","0.1424","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234006","14.778","0.003","11.764","0.003","9.848","0.0019","90","","102.191","0.002","90","","1673.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)-3-methylbenzohydrazide","","- C15 H12 I2 N2 O2 -","- C15 H12 I2 N2 O2 -","- C60 H48 I8 N8 O8 -","4","1","SU2373","Tang, Chun-Bao","(<i>E</i>)-<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","3","o603","","10.1107/S160053681200387X","","","0.71073","MoKα","","0.1158","0.0688","","","0.1523","0.1746","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234007","19.467","0.003","12.655","0.002","16.138","0.002","90","","90","","90","","3975.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)- 3-methoxybenzohydrazide methanol monosolvate","","- C16 H16 I2 N2 O5 -","- C16 H16 I2 N2 O5 -","- C128 H128 I16 N16 O40 -","8","1","SU2374","Li, Xiao-Yan","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)-3-methoxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o654","","10.1107/S1600536812004552","","","0.71073","MoKα","","0.057","0.0387","","","0.0823","0.0912","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234008","11.856","0.002","14.116","0.003","8.6263","0.0019","90","","95.193","0.002","90","","1437.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Nitro-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","","- C14 H10 N4 O5 -","- C14 H10 N4 O5 -","- C56 H40 N16 O20 -","4","1","SU2375","Li, Xiao-Yan","(<i>E</i>)-4-Nitro-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o655","","10.1107/S1600536812004540","","","0.71073","MoKα","","0.117","0.0518","","","0.1047","0.1228","","","","","","0.842","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234009","7.627","0.003","11.859","0.002","14.297","0.002","90","","90","","90","","1293.1","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","SU2376","Li, Xiao-Yan","(<i>E</i>)-2-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o709","","10.1107/S1600536812005661","","","0.71073","MoKα","","0.0849","0.0583","","","0.1513","0.1667","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234010","10.32","0.003","14.916","0.004","16.346","0.004","90","","95.158","0.003","90","","2506","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[5-(2-Chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1<i>H</i>-pyrazol- 1-yl]ethanone","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C96 H104 Cl8 N16 O16 -","8","2","SU2378","Guo, Sheng-Hai; Wang, Ji-Liang; Guo, Dong-Qiang; Zhang, Xin-Ying","1-[5-(2-Chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","3","o839","","10.1107/S1600536812007283","","","0.71073","MoKα","","0.0832","0.053","","","0.1345","0.1587","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234011","8.8921","0.0018","9.863","0.002","11.186","0.002","77.62","0.03","81.95","0.03","64.15","0.03","861.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-ium-1-yl)-1,4- dihydroquinoline-3-carboxylate-κ^2^<i>O</i>^3^,<i>O</i>^4^]bis(nitrato- κ<i>O</i>)copper(II)","","- C34 H36 Cu F2 N8 O12 -","- C34 H36 Cu F2 N8 O12 -","- C34 H36 Cu F2 N8 O12 -","1","0.5","SU2380","Yang, Juan; Yan, Shi-Wei; Ye, Zhong-Li; Xin, Guang-Hua; Chang, Suo-Cheng","Bis[1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ^2^<i>O</i>^3^,<i>O</i>^4^]bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2012","68","3","m341","m342","10.1107/S1600536812007830","","","0.71073","MoKα","","0.0415","0.0391","","","0.1328","0.1357","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234012","9.324","0.004","9.727","0.004","10.391","0.004","90","","106.305","0.006","90","","904.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bifurazano[3,4-<i>b</i>:3',4'-<i>f</i>]furoxano[3'',4''- <i>d</i>]oxacyclohetpatriene","4,9,12,15-Tetraoxa-3,5,8,10,14,16- hexaazatetracyclo[11.3.0.0^2,6^.0^7,11^]hexadeca- 1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate","","- C6 H2 N6 O6 -","- C6 H2 N6 O6 -","- C24 H8 N24 O24 -","4","1","TK5030","Zhou, Yan-Shui; Wang, Bo-Zhou; Xu, Kang-Zhen","4,9,12,15-Tetraoxa-3,5,8,10,14,16-hexaazatetracyclo[11.3.0.0^2,6^.0^7,11^]hexadeca-1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate","Acta Crystallographica Section E","2012","68","3","o869","","10.1107/S160053681200774X","","","0.71073","MoKα","","0.0442","0.0364","","","0.0913","0.0972","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234013","9.744","0.005","10.016","0.003","28.84","0.005","90","","90","","90","","2814.7","1.7","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Benzyl phenyl sulfoxide-κ<i>O</i>)chloridotriphenyltin(IV)","","- C31 H27 Cl O S Sn -","- C31 H27 Cl O S Sn -","- C124 H108 Cl4 O4 S4 Sn4 -","4","1","TK5048","Tan, Guo-Xia; Zhang, Chang-Fa","(Benzyl phenyl sulfoxide-κ<i>O</i>)chloridotriphenyltin(IV)","Acta Crystallographica Section E","2012","68","3","m304","","10.1107/S1600536812005910","","","0.71069","MoKα","","0.0561","0.0371","","","0.061","0.0666","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234014","15.5047","0.001","7.5136","0.0005","13.9191","0.0009","90","","113.961","0.001","90","","1481.78","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-[1,3,6,8-tetrabromo-7-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)pyren-2-yl]-1,3,2-dioxaborolane","","- C28 H28 B2 Br4 O4 -","- C28 H28 B2 Br4 O4 -","- C56 H56 B4 Br8 O8 -","2","0.5","TK5049","Chen, Ying; Yu, Wen-tao; Liu, Zhi-qiang; Yu, Ping","4,4,5,5-Tetramethyl-2-[1,3,6,8-tetrabromo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-2-yl]-1,3,2-dioxaborolane","Acta Crystallographica Section E","2012","68","3","o771","","10.1107/S1600536812006095","","","0.71073","MoKα","","0.054","0.0351","","","0.0981","0.1087","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234015","8.5674","0.001","12.3664","0.0012","13.2276","0.0013","113.003","0.009","107.686","0.01","95.541","0.009","1191.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Tramadolium picrate","[2-hydroxy-3-(3-methoxyphenyl)cyclohexylmethyl]dimethylazanium 2,4,6-trinitrophenolate","","- C22 H28 N4 O9 -","- C22 H28 N4 O9 -","- C44 H56 N8 O18 -","2","1","TK5053","Siddaraju, B. P.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej","Tramadolium picrate","Acta Crystallographica Section E","2012","68","3","o600","","10.1107/S1600536812004138","","","0.7107","MoKα","","0.0702","0.0519","","","0.1354","0.1512","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234016","7.8262","0.0001","10.9278","0.0001","12.4067","0.0002","113.374","0.001","94.922","0.001","100.295","0.001","943.77","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-6'<i>H</i>,7'<i>H</i>,8'<i>H</i>-spiro[indoline-3,7'- pyrano[3,2-<i>c</i>:5,6-<i>c</i>']di-1-benzopyran]-2,6',8'-trione","","- C26 H12 F N O6 -","- C26 H12 F N O6 -","- C52 H24 F2 N2 O12 -","2","1","TK5055","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Devi Shree, P.; Suresh, J.","5-Fluoro-6'<i>H</i>,7'<i>H</i>,8'<i>H</i>-spiro[indoline-3,7'-pyrano[3,2-<i>c</i>:5,6-<i>c</i>']di-1-benzopyran]-2,6',8'-trione","Acta Crystallographica Section E","2012","68","3","o744","","10.1107/S1600536812006332","","","0.71073","MoKα","","0.0577","0.0449","","","0.1145","0.1243","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234017","31.6873","0.0013","6.5389","0.0002","13.8746","0.0006","90","","111.716","0.002","90","","2670.79","0.18","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Methyl 2-[(2-methylphenoxy)methyl]benzoate","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","TK5056","Isloor, Arun M.; Sankappa Rai, U.; Shetty, Prakash; Gerber, Thomas; Hosten, Eric; Betz, Richard","Methyl 2-[(2-methylphenoxy)methyl]benzoate","Acta Crystallographica Section E","2012","68","3","o728","","10.1107/S1600536812005995","","","0.71073","MoKα","","0.0727","0.0436","","","0.0962","0.1077","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234018","21.261","0.004","7.3103","0.0015","6.1322","0.0012","90","","93.59","0.03","90","","951.2","0.3","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","4-(<i>p</i>-glycidyloxyphenoxy)-4'-glycidyloxybiphenyl","2-(4-{4-[4-(Oxiran-2-ylmethoxy)phenoxy]phenyl}phenoxymethyl)oxirane","","- C24 H22 O5 -","- C24 H22 O5 -","- C48 H44 O10 -","2","1","TK5057","Song, Tao; Liu, Jin-gang; Yang, Shi-yong","2-(4-{4-[4-(Oxiran-2-ylmethoxy)phenoxy]phenyl}phenoxymethyl)oxirane","Acta Crystallographica Section E","2012","68","3","o719","","10.1107/S1600536812005740","","","0.71073","MoKα","","0.0956","0.0849","","","0.1658","0.1718","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234019","21.1506","0.0015","5.6114","0.0003","17.1219","0.0011","90","","110.336","0.002","90","","1905.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-4-({[(4-methoxyphenyl)sulfanyl](phenyl)methyl}sulfanyl)benzene","","- C21 H20 O2 S2 -","- C21 H20 O2 S2 -","- C84 H80 O8 S8 -","4","1","TK5059","Li, Hongqi; Ramachandran, G.; Sathishkumar, M.; Sathiyanarayanan, K.; Rathore, R. S.","1-Methoxy-4-({[(4-methoxyphenyl)sulfanyl](phenyl)methyl}sulfanyl)benzene","Acta Crystallographica Section E","2012","68","3","o782","","10.1107/S1600536812006320","","","0.71073","MoKα","","0.0756","0.0432","","","0.1079","0.1283","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234020","8.6415","0.0017","10.422","0.002","19.771","0.004","92.18","0.03","94.47","0.03","92.62","0.03","1771.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine- κ^2^<i>N</i>,<i>N</i>'}samarium(III)","","- C36 H30 Cl3 N6 O3 Sm -","- C36 H30 Cl3 N6 O3 Sm -","- C72 H60 Cl6 N12 O6 Sm2 -","2","1","TK5061","Lei, Tao; Chen, Wenqian; Chen, Yanmei; Hu, Bin; Li, Yahong","Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ^2^<i>N</i>,<i>N</i>'}samarium(III)","Acta Crystallographica Section E","2012","68","3","m344","m345","10.1107/S1600536812008100","","","0.71073","MoKα","","0.0331","0.0289","","","0.0635","0.068","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234021","9.913","0.002","16.887","0.003","12.622","0.003","90","","106.72","0.03","90","","2023.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(phthalocyaninato- κ^4^<i>N</i>)(phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)","","- C49 H31 Er N10 O2 -","- C49 H31 Er N10 O2 -","- C98 H62 Er2 N20 O4 -","2","0.5","VM2147","Li, Hong-Feng; Yan, Peng-Fei","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(phthalocyaninato-κ^4^<i>N</i>)(phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)","Acta Crystallographica Section E","2012","68","3","m251","","10.1107/S1600536812003972","","","0.71073","MoKα","","0.0555","0.0333","","","0.0672","0.0921","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234022","12.2057","0.0005","11.8169","0.0005","31.8157","0.0015","90","","90","","90","","4588.9","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","","- C19 H18 I4 N2 O2 -","- C19 H18 I4 N2 O2 -","- C152 H144 I32 N16 O16 -","8","1","VM2150","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]-2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o564","","10.1107/S1600536812003704","","","0.71073","MoKα","","0.1166","0.0436","","","0.0628","0.0794","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234023","6.6942","0.0001","16.058","0.0004","10.9672","0.0003","90","","98.693","0.002","90","","1165.38","0.05","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Secohellebrigeninamide","","- C26 H37 N O5 -","- C26 H37 N O4.998 -","- C52 H74 N2 O9.996 -","2","1","VM2153","Yuan, Xiao-Feng; Tian, Hai-Yan; Li, Jin-Hang; Yu, Tong; Jiang, Ren-Wang","Secohellebrigeninamide","Acta Crystallographica Section E","2012","68","3","o682","","10.1107/S160053681200520X","","","1.54184","CuKα","","0.0471","0.0458","","","0.1279","0.1298","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234024","12.8288","0.0014","16.8812","0.0017","31.089","0.003","90","","90","","90","","6732.8","1.2","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato- κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'} bis[tricarbonyliron(I)](<i>Fe</i>—<i>Fe</i>)","","- C34 H20 Fe2 N2 O6 S4 -","- C34 H20 Fe2 N2 O6 S4 -","- C272 H160 Fe16 N16 O48 S32 -","8","1","VM2158","Gao, Shang; Jiang, Da-yong; Liang, Qing-cheng; Duan, Qian","Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)](<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2012","68","3","m330","","10.1107/S1600536812007581","","","0.71073","MoKα","","0.0828","0.0431","","","0.095","0.1072","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234025","7.0018","0.0014","10.049","0.002","10.491","0.002","109.83","0.03","103.63","0.03","105.78","0.03","622.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[(1,10-phenanthroline)cobalt(II)]-di-μ-azido]","","- C12 H8 Co N8 -","- C12 H8 Co N8 -","- C24 H16 Co2 N16 -","2","1","VN2030","Gao, Xue-Miao; Zhao, Jiong-Peng; Liu, Fu-Chen","<i>catena</i>-Poly[[(1,10-phenanthroline)cobalt(II)]-di-μ-azido]","Acta Crystallographica Section E","2012","68","3","m318","","10.1107/S1600536812006435","","","0.71073","MoKα","","0.085","0.0522","","","0.091","0.1011","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234026","19.774","0.005","9.774","0.003","24.25","0.006","90","","90","","90","","4687","2","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","{3,3'-Bis[(anthracen-9-yl)methyl]-1,1'-[(ethane-1,2-diyldioxy)bis(ethane- 1,2-diyl)]bis(imidazol-2-ylidene)}mercury(II) bis(hexafluoridophosphate) acetonitrile disolvate","","- C46 H44 F12 Hg N6 O2 P2 -","- C46 H44 F12 Hg N6 O2 P2 -","- C184 H176 F48 Hg4 N24 O8 P8 -","4","0.5","VN2031","Wang, Jun-Wen; Guo, Yue; Dong, Gui-Ying; Gu, Yu; Bai, Di-Si","{3,3'-Bis[(anthracen-9-yl)methyl]-1,1'-[(ethane-1,2-diyldioxy)bis(ethane-1,2-diyl)]bis(imidazol-2-ylidene)}mercury(II) bis(hexafluoridophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","3","m302","","10.1107/S1600536812005958","","","0.71073","MoKα","","0.1169","0.0652","","","0.1465","0.1688","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234027","4.946","0.0009","4.946","0.0009","36.191","0.009","90","","90","","120","","766.7","0.3","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Didysprosium heptanickel","","- Dy2 Ni7 -","- Dy2 Ni7 -","- Dy12 Ni42 -","6","0.166667","VN2032","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Didysprosium heptanickel","Acta Crystallographica Section E","2012","68","3","i20","","10.1107/S1600536812007611","","","0.71073","MoKα","","0.0581","0.0473","","","0.1111","0.1154","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234028","12.0728","0.001","9.564","0.0008","17.5822","0.0013","90","","111.386","0.005","90","","1890.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(4'-phenyl-2,2':6',2''-terpyridyl)zinc","","- C21 H15 Cl2 N3 Zn -","- C21 H15 Cl2 N3 Zn -","- C84 H60 Cl8 N12 Zn4 -","4","1","WM2584","Ma, Zhen; Liang, Baohuan; Yang, Mei; Lu, Lingjun","Dichlorido(4'-phenyl-2,2':6',2''-terpyridyl)zinc","Acta Crystallographica Section E","2012","68","3","m298","m299","10.1107/S1600536812004862","","","0.71073","MoKα","","0.0372","0.0255","","","0.0601","0.0664","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234029","12.603","0.0005","11.9403","0.0005","14.1977","0.0005","90","","97.717","0.003","90","","2117.17","0.14","119.8","","119.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>-(3-aminopropyl)propane-1,3-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium nitrate perchlorate","","- C12 H34 Cd Cl N7 O7 -","- C12 H34 Cd Cl N7 O7 -","- C48 H136 Cd4 Cl4 N28 O28 -","4","1","WM2586","Goudarziafshar, Hamid; Nikoorazm, Mohsen; Abbasityula, Yunes; Eigner, Václav; Dušek, Michal","Bis[<i>N</i>-(3-aminopropyl)propane-1,3-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium nitrate perchlorate","Acta Crystallographica Section E","2012","68","3","m273","m274","10.1107/S1600536812004400","","","1.5418","CuKα","","0.0224","0.0218","","","0.0672","0.0679","","","","","","1.5","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234030","9.4447","0.0011","12.1385","0.0015","13.1309","0.0016","71.447","0.001","83.601","0.002","68.691","0.002","1329.6","0.3","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","Bis[(2-chloro-4-fluorobenzyl)triphenylphosphonium] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)","","- C54 H40 Cl2 F2 N4 Ni P2 S6 -","- C54 H40 Cl2 F2 N4 Ni P2 S6 -","- C54 H40 Cl2 F2 N4 Ni P2 S6 -","1","0.5","WM2587","Zeng, Zhou-Hua; Yang, Shui-Bin","Bis[(2-chloro-4-fluorobenzyl)triphenylphosphonium] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)","Acta Crystallographica Section E","2012","68","3","m239","m240","10.1107/S1600536812003625","","","0.71073","MoKα","","0.0525","0.0417","","","0.0998","0.1183","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234031","3.9595","0.0003","14.435","0.0013","13.7062","0.0009","90","","90","","90","","783.38","0.11","290","1","290","1","","","","","","","","3","C m c m","-C 2c 2","63","","Hafnium titanium pentatelluride","","- Hf0.78 Te5 Ti0.22 -","- Hf0.781 Te5 Ti0.219 -","- Hf3.124 Te20 Ti0.876 -","4","0.25","WM2588","Yu, Jaemin; Yun, Hoseop","Ti insertion in the <i>M</i>Te~5~ (<i>M</i> = Zr, Hf) structure type: Hf~0.78~Ti~0.22~Te~5~","Acta Crystallographica Section E","2012","68","3","i19","","10.1107/S1600536812006691","","","0.71073","MoKα","","0.0303","0.0287","","","","0.0682","","","","","","1.157","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234032","18.7481","0.0005","18.7481","0.0005","52.4233","0.0012","90","","90","","120","","15957.7","0.7","150","0.2","150","0.2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Tris(tetrabutylammonium) hexakis(<i>tert</i>-butanethiolato-κ<i>S</i>)hepta-μ~3~- chlorido-μ~3~-sulfido-hexamolybdate dihydrate","","- C72 H166 Cl7 Mo6 N3 O2 S7 -","- C72 H162 Cl7 Mo6 N3 O2 S7 -","- C432 H972 Cl42 Mo36 N18 O12 S42 -","6","0.166667","WM2589","Petrov, Pavel A.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","Tris(tetrabutylammonium) hexakis(<i>tert</i>-butanethiolato-κ<i>S</i>)hepta-μ~3~-chlorido-μ~3~-sulfido-hexamolybdate dihydrate","Acta Crystallographica Section E","2012","68","3","m333","m334","10.1107/S1600536812007416","","","0.71073","MoKα","","0.0486","0.0383","","","0.117","0.1246","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234033","16.2165","0.0005","13.2474","0.0003","15.5935","0.0003","90","","111.404","0.003","90","","3118.86","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{<i>S</i>-Benzyl 3-[(6-methylpyridin-2-yl)methylidene]dithiocarbazato}nickel(II) monohydrate","","- C30 H30 N6 Ni O S4 -","- C30 H30 N6 Ni O S4 -","- C120 H120 N24 Ni4 O4 S16 -","4","1","WM2591","Omar, Siti Aminah; Ravoof, Thahira B. S. A.; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","{<i>S</i>-Benzyl 3-[(6-methylpyridin-2-yl)methylidene]dithiocarbazato}nickel(II) monohydrate","Acta Crystallographica Section E","2012","68","3","m316","m317","10.1107/S1600536812006952","","","0.71073","MoKα","","0.0477","0.0363","","0.0874","0.0808","0.0874","","","","","","0.9739","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234034","14.1266","0.0013","18.8197","0.0017","25.059","0.002","90","","90","","90","","6662.1","1","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2- en-2-yl}anilinido)zinc","","- C38 H42 N4 Zn -","- C38 H42 N4 Zn -","- C304 H336 N32 Zn8 -","8","1","WM2594","Vaughan, Benjamin A.; Wetherby, Anthony E.; Waterman, Rory","Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2-en-2-yl}anilinido)zinc","Acta Crystallographica Section E","2012","68","3","m343","","10.1107/S1600536812007878","","","0.71073","MoKα","","0.0435","0.0362","","","0.1044","0.1111","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234035","9.7841","0.0004","9.2116","0.0004","21.2663","0.0008","90","","90","","90","","1916.67","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(methylsulfanyl)methyl]benzamide","","- C9 H11 N O S -","- C9 H11 N O S -","- C72 H88 N8 O8 S8 -","8","1","WN2467","Khan, Muhammad Riaz; Khan, Azim; Tahir, M. Nawaz; Adeel, Muhammad; Ahmad, Saeed","<i>N</i>-[(Methylsulfanyl)methyl]benzamide","Acta Crystallographica Section E","2012","68","3","o653","","10.1107/S1600536812004515","","","0.71073","MoKα","","0.0596","0.0413","","","0.1066","0.1162","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234036","11.2148","0.0012","12.9835","0.0013","15.9499","0.0017","90","","90","","90","","2322.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C24 H29 N O8 -","- C24 H29 N O8 -","- C96 H116 N4 O32 -","4","1","XU5427","Li, Shang-Ju; Zhang, Rong-Jia; Hou, Guang-Feng; Li, Guang-Ming; Yan, Peng-Fei","Triethylammonium (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropanoate","Acta Crystallographica Section E","2012","68","3","o651","","10.1107/S1600536812004308","","","0.71073","MoKα","","0.0712","0.0424","","","0.084","0.095","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234037","7.043","0.0014","7.128","0.0014","12.264","0.003","90","","100.3","0.03","90","","605.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Hydroxymethyl)pyridin-3-ol","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C24 H28 N4 O8 -","4","1","XU5437","He, Xue-Jun; Qiu, Jiang-Kai; Jia, Yu-Chi; Wang, De-Cai; Ou-Yang, Ping-Kai","2-(Hydroxymethyl)pyridin-3-ol","Acta Crystallographica Section E","2012","68","3","o722","","10.1107/S1600536812002759","","","0.71073","MoKα","","0.0431","0.0355","","","0.1273","0.1362","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234038","31.431","0.006","9.323","0.0019","25.079","0.005","90","","111.24","0.03","90","","6850","3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4<i>H</i>-chromene-3-carbonitrile hemihydrate","","- C18 H18 Cl N2 O2.5 -","- C18 H18 Cl N2 O2.5 -","- C288 H288 Cl16 N32 O40 -","16","2","XU5439","Hu, Xiao-Lei; Wang, Zhong-Xia; Wang, Fang-Ming; Han, Guang-Fan","2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile hemihydrate","Acta Crystallographica Section E","2012","68","3","o823","","10.1107/S1600536812003807","","","0.71073","MoKα","","0.0938","0.0572","","","0.1513","0.1677","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234039","3.8257","0.0003","15.0664","0.0009","14.3453","0.0006","90","","95.102","0.005","90","","823.58","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-7-fluoroquinazoline","","- C8 H3 Cl2 F N2 -","- C8 H3 Cl2 F N2 -","- C32 H12 Cl8 F4 N8 -","4","1","XU5446","Gao, Feng; Hu, Yun-Fei; Wang, Jin-Long","2,4-Dichloro-7-fluoroquinazoline","Acta Crystallographica Section E","2012","68","3","o740","","10.1107/S1600536812006125","","","0.71073","MoKα","","0.0549","0.0383","","","0.0832","0.0946","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234040","8.333","0.003","9.526","0.003","17.182","0.006","100.144","0.007","100.741","0.005","102.109","0.005","1276.9","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","2,2'-{[4,6-Bis(octylamino)-1,3,5-triazin-2-yl]azanediyl}diethanol","","- C23 H46 N6 O2 -","- C23 H46 N6 O2 -","- C46 H92 N12 O4 -","2","1","XU5451","Sun, Hong-Hua; Hu, Zhi-Yong; Cao, Duan-Lin","2,2'-{[4,6-Bis(octylamino)-1,3,5-triazin-2-yl]azanediyl}diethanol","Acta Crystallographica Section E","2012","68","3","o618","","10.1107/S1600536812003856","","","0.71073","MoKα","","0.0536","0.035","","","0.0797","0.092","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234041","9.5144","0.001","11.5654","0.0011","11.968","0.0012","109.975","0.009","97.838","0.008","113.197","0.009","1080.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","9-(3-Fluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate monohydrate","","- C22 H17 F4 N O6 S -","- C22 H17 F4 N O6 S -","- C44 H34 F8 N2 O12 S2 -","2","1","XU5452","Trzybiński, Damian; Ożóg, Agnieszka; Krzymiński, Karol; Błażejowski, Jerzy","9-(3-Fluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate monohydrate","Acta Crystallographica Section E","2012","68","3","o625","o626","10.1107/S1600536812003054","","","0.71073","MoKα","","0.1262","0.0507","","","0.1117","0.1286","","","","","","0.806","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234042","15.7586","0.0006","7.0694","0.0002","12.7167","0.0006","90","","113.037","0.005","90","","1303.71","0.1","135","1","135","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Chlorophenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C16 H9 Cl O4 -","- C16 H9 Cl O4 -","- C64 H36 Cl4 O16 -","4","1","XU5453","Guo, Xiao-Qiang; Yan, Jun; Gan, Ya; Song, Qin; Gou, Xiao-Jun","4-Chlorophenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2012","68","3","o574","","10.1107/S1600536812003376","","","0.7107","MoKα","","0.0584","0.0401","","","0.0823","0.0923","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234043","12.762","0.002","7.9495","0.001","22.218","0.003","90","","90","","90","","2254","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3,5-Dioxo-4-(pyridin-3-yl)piperazin-1-yl]acetic acid","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","1","XU5454","Mosslemin, Mohammad Hossein","2-[3,5-Dioxo-4-(pyridin-3-yl)piperazin-1-yl]acetic acid","Acta Crystallographica Section E","2012","68","3","o583","","10.1107/S1600536812003455","","","0.71073","MoKα","","0.1431","0.0831","","","","0.1394","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234044","14.3852","0.0007","9.6487","0.0005","17.428","0.0009","90","","105.77","0.001","90","","2327.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ~3~-4- sulfonatobenzene-1,2-dicarboxylato- κ^4^<i>O</i>^1^:<i>O</i>^2^<i>,O</i>^2'^:<i>O</i>^4^)dysprosium(III)] dihydrate]","","- C20 H19 Dy N2 O11 S -","- C20 H19 Dy N2 O11 S -","- C80 H76 Dy4 N8 O44 S4 -","4","1","XU5457","Zhang, Kou-Lin; Lin, Jian-Guo; Ng, Seik Weng","Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ~3~-4-sulfonatobenzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^<i>,O</i>^2'^:<i>O</i>^4^)dysprosium(III)] dihydrate]","Acta Crystallographica Section E","2012","68","3","m241","","10.1107/S1600536812003613","","","0.71073","MoKα","","0.0389","0.0366","","","0.0909","0.0931","","","","","","1.199","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234045","9.842","0.003","13.448","0.004","14.061","0.004","109.94","0.015","96.937","0.016","104.182","0.015","1653","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-{4-[(<i>E</i>)-(2-Hydroxyphenyl)iminomethyl]phenoxy}benzene-1,2-dicarbonitrile","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C84 H52 N12 O8 -","4","2","XU5458","Tuncer, Hülya; Görgülü, Ahmet Orhan; Hökelek, Tuncer","4-{4-[(<i>E</i>)-(2-Hydroxyphenyl)iminomethyl]phenoxy}benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","3","o565","o566","10.1107/S1600536812003649","","","0.71073","MoKα","","0.1258","0.0523","","","0.1107","0.1482","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234046","7.9853","0.0007","8.395","0.0007","12.4416","0.0011","89.308","0.007","74.436","0.007","71.568","0.007","759.82","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C32 H34 N2 O10 -","2","1","XU5460","Gültekin, Zeynep; Bolte, Michael; Hökelek, Tuncer","Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","3","o606","","10.1107/S1600536812003650","","","0.71073","MoKα","","0.0545","0.0491","","","0.1179","0.1212","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234047","10.514","0.002","10.7","0.002","34.002","0.007","82.32","0.03","89.43","0.03","88.67","0.03","3789.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C168 H160 Br8 N8 O16 -","8","4","XU5461","Zhao, Qun","1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","3","o812","","10.1107/S160053681200459X","","","0.71073","MoKα","","0.2068","0.0826","","","0.1511","0.1922","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234048","12.066","0.002","8.6178","0.0017","21.386","0.006","90","","122.02","0.02","90","","1885.4","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-(Phenylmethylene)dinaphthalen-2-ol","","- C27 H20 O2 -","- C27 H20 O2 -","- C108 H80 O8 -","4","1","XU5462","Zheng, Wen-Ni","1,1'-(Phenylmethylene)dinaphthalen-2-ol","Acta Crystallographica Section E","2012","68","3","o614","","10.1107/S1600536812004163","","","0.71073","MoKα","","0.0871","0.0564","","","0.1266","0.1416","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234049","7.3626","0.0002","12.1382","0.0003","12.1789","0.0003","67.165","0.002","74.192","0.003","88.921","0.003","960.53","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(μ-3-hydroxybenzoato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)(μ-3-hydroxybenzoato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^)(isonicotinamide- κ<i>N</i>^1^)lead(II)] monohydrate]","","- C20 H18 N2 O8 Pb -","- C20 H18 N2 O8 Pb -","- C40 H36 N4 O16 Pb2 -","2","1","XU5463","Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>catena</i>-Poly[[(μ-3-hydroxybenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)(μ-3-hydroxybenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^)(isonicotinamide-κ<i>N</i>^1^)lead(II)] monohydrate]","Acta Crystallographica Section E","2012","68","3","m257","m258","10.1107/S1600536812004357","","","0.71073","MoKα","","0.0179","0.017","","","0.0497","0.05","","","","","","1.185","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234050","7.8273","0.0009","10.4827","0.0011","10.5029","0.0012","115.837","0.009","105.655","0.009","96.889","0.008","718.25","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 6-bromo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C28 H28 Br2 N2 O8 -","2","1","XU5465","Gültekin, Zeynep; Bolte, Michael; Hökelek, Tuncer","Dimethyl 6-bromo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","3","o710","o711","10.1107/S1600536812005600","","","0.71073","MoKα","","0.0622","0.0532","","","0.1492","0.1528","","","","","","1.214","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234051","17.917","0.004","7.3094","0.0015","14.093","0.003","90","","90","","90","","1845.7","0.7","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2<i>E</i>,6<i>E</i>)-2,6-Bis(2,6-dichlorobenzylidene)cyclohexanone","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C80 H56 Cl16 O4 -","4","1","XU5466","Mahdavinia, Gholam Hossein; Mirzazadeh, Maryam; Amani, Vahid; Notash, Behrouz","(2<i>E</i>,6<i>E</i>)-2,6-Bis(2,6-dichlorobenzylidene)cyclohexanone","Acta Crystallographica Section E","2012","68","3","o778","","10.1107/S1600536812006629","","","0.71073","MoKα","","0.0338","0.0306","","","0.0697","0.0711","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234052","15.3389","0.0019","6.8791","0.0008","9.6239","0.0011","90","","103.828","0.01","90","","986.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diiodidomercury(II)]-μ~2~-2-aminopyrazine- κ^2^<i>N</i>^1^:<i>N</i>^4^]","","- C4 H5 Hg I2 N3 -","- C4 H5 Hg I2 N3 -","- C16 H20 Hg4 I8 N12 -","4","0.5","XU5467","Shirvan, Sadif A.; Asghariganjeh, Mohammad R.; Aghajeri, Manouchehr; Haydari Dezfuli, Sara; Hossini, Farzaneh","<i>catena</i>-Poly[[diiodidomercury(II)]-μ~2~-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section E","2012","68","3","m303","","10.1107/S1600536812006149","","","0.71073","MoKα","","0.0841","0.0833","","","0.2228","0.2236","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234053","14.2158","0.0003","8.9244","0.0002","9.7553","0.0002","90","","99.217","0.002","90","","1221.65","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Oxo-2,4-diphenylbutanenitrile","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","XU5469","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Oxo-2,4-diphenylbutanenitrile","Acta Crystallographica Section E","2012","68","3","o736","","10.1107/S1600536812006137","","","1.5418","CuKα","","0.0421","0.0364","","","0.0913","0.0966","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234054","9.573","0.0002","8.7748","0.0002","32.062","0.0007","90","","90","","90","","2693.25","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","XU5470","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2012","68","3","o737","","10.1107/S1600536812006290","","","1.5418","CuKα","","0.0436","0.0368","","","0.0946","0.1012","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234055","7.9734","0.0003","11.0788","0.0004","15.9456","0.0006","90","","91.859","0.001","90","","1407.82","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-[(2-Bromophenyl)methylene]dipyrrolidin-2-one","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","XU5471","Li, Hong-Qi; Ramachandran, G.; Satheesh, V.; Sathiyanarayanan, K.; Rathore, R. S.","1,1'-[(2-Bromophenyl)methylene]dipyrrolidin-2-one","Acta Crystallographica Section E","2012","68","3","o768","","10.1107/S1600536812006277","","","0.71073","MoKα","","0.0337","0.025","","","0.0549","0.0574","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234056","6.4585","0.0009","8.1999","0.0007","12.5763","0.0011","78.876","0.007","77.228","0.009","72.354","0.009","613.28","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-methyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","XU5472","Li, Xing-Yao; Wu, Jin-Long","Ethyl 4-methyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylate","Acta Crystallographica Section E","2012","68","3","o891","","10.1107/S1600536812008136","","","0.71073","MoKα","","0.0704","0.0494","","","0.1193","0.1346","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234057","8.038","0.003","5.678","0.002","12.656","0.005","90","","105.476","0.004","90","","556.7","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(3<i>R</i>,6<i>R</i>)-6-methyl-2,5-dioxomorpholin-3-yl]- <i>N</i>-(propan-2-yl)acetamide","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C20 H32 N4 O8 -","2","1","YK2036","Lu, De-dai; Zhang, Hu; Luo, Juan; Yang, Li-qiang; Duan, Peng-xue","2-[(3<i>R</i>,6<i>R</i>)-6-Methyl-2,5-dioxomorpholin-3-yl]-<i>N</i>-(propan-2-yl)acetamide","Acta Crystallographica Section E","2012","68","3","o896","","10.1107/S1600536812007945","","","0.71073","MoKα","","0.0436","0.0362","","","0.0818","0.085","","","","","","1.16","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234058","13.969","0.001","9.6591","0.0006","21.026","0.002","90","","90","","90","","2837","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C112 H96 N16 O40 S8 -","8","1","YK2044","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o888","","10.1107/S1600536812007854","","","0.71073","MoKα","","0.1074","0.062","","","0.1349","0.1524","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234059","11.436","0.0011","9.5925","0.0009","11.5968","0.0011","90","","117.25","0.02","90","","1131","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-2,2-bis(1<i>H</i>-pyrazol-1-yl)cyclopentanone","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","YK2045","Rybakov, Victor B.; Utkina, Anastasia A.; Kurkin, Alexander V.; Yurovskaya, Marina A.","3-Hydroxy-2,2-bis(1<i>H</i>-pyrazol-1-yl)cyclopentanone","Acta Crystallographica Section E","2012","68","3","o844","","10.1107/S1600536812007659","","","0.56085","AgKα","","0.072","0.0459","","","0.1132","0.1237","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234060","14.7568","0.0006","15.4378","0.0006","10.6383","0.0005","90","","90","","90","","2423.54","0.18","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","<i>catena</i>-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>)‒ 1,4,10,13,16-hexaoxacyclooctadecane (1/1)]","","- C15 H28 Cd N4 O6 S3 -","- C15 H28 Cd N4 O6 S3 -","- C60 H112 Cd4 N16 O24 S12 -","4","0.5","ZB2021","Ramesh, V.; Rajarajan, K.; Kumar, K. Sendil; Subashini, A.; NizamMohideen, M.","<i>catena</i>-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>)‒1,4,10,13,16-hexaoxacyclooctadecane (1/1)]","Acta Crystallographica Section E","2012","68","3","m335","m336","10.1107/S1600536812004898","","","0.71073","MoKα","","0.0137","0.0133","","","0.034","0.0344","","","","","","1.093","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234061","7.5424","0.0015","14.422","0.003","9.755","0.002","90","","108.17","0.03","90","","1008.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Carboxyquinolin-1-ium-2-carboxylate monohydrate","","- C11 H9 N O5 -","- C11 H9 N O5 -","- C44 H36 N4 O20 -","4","1","ZJ2053","Wang, Xing; Liu, Chun-Bo; Yan, Yong-Sheng; Wang, Shen-Tang; Zhang, Qing","3-Carboxyquinolin-1-ium-2-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","3","o829","","10.1107/S1600536812006988","","","0.71073","MoKα","","0.0444","0.0355","","","0.0943","0.1005","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234062","14.36","0.004","8.222","0.002","13.176","0.004","90","","105.77","0.003","90","","1497.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido{2-[(2,6-dimethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}zinc","","- C14 H14 Cl2 N2 Zn -","- C14 H14 Cl2 N2 Zn -","- C56 H56 Cl8 N8 Zn4 -","4","1","ZJ2055","Liu, Xue-hong; Zhao, Li-min; Liu, Feng-shou","Dichlorido{2-[(2,6-dimethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}zinc","Acta Crystallographica Section E","2012","68","3","m311","","10.1107/S1600536812006204","","","0.71073","MoKα","","0.043","0.0298","","","0.0636","0.0705","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234063","11.753","0.002","20.081","0.004","7.2012","0.0014","90","","96.273","0.003","90","","1689.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Dimethyl-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4- dicarboxamide","","- C16 H16 N8 O2 -","- C16 H16 N8 O2 -","- C64 H64 N32 O8 -","4","1","ZJ2056","Rao, Guo-Wu; Guo, Yan-Mei; Shen, Qun","3,6-Dimethyl-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","3","o702","o703","10.1107/S1600536812005405","","","0.71073","MoKα","","0.0723","0.0611","","","0.173","0.1822","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234064","5.6345","0.0003","6.2244","0.0003","16.3779","0.0009","90","","92.902","0.004","90","","573.66","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(thiophen-2-yl)butane-1,4-dione","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C24 H20 O4 S4 -","2","0.5","ZJ2057","Guo, Wei-Ting; Miao, Zhi-Min; Wang, Yun-Long","1,4-Bis(thiophen-2-yl)butane-1,4-dione","Acta Crystallographica Section E","2012","68","3","o689","o690","10.1107/S1600536812005338","","","0.71073","MoKα","","0.0761","0.0619","","","0.1832","0.2","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234065","15.8335","0.0004","9.2147","0.0002","23.9951","0.0005","90","","109.103","0.001","90","","3308.12","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7'-(Naphthalen-1-yl)-5''-[(naphthalen-2-yl)methylidene]-1',3',5',6',7',7a'- hexahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',3''- piperidine]-2(1<i>H</i>),4''-dione","","- C43 H34 N2 O2 S -","- C43 H34 N2 O2 S -","- C172 H136 N8 O8 S4 -","4","1","ZJ2058","Suresh, J.; Vishnupriya, R.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","7'-(Naphthalen-1-yl)-5''-[(naphthalen-2-yl)methylidene]-1',3',5',6',7',7a'-hexahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',3''-piperidine]-2(1<i>H</i>),4''-dione","Acta Crystallographica Section E","2012","68","3","o858","o859","10.1107/S1600536812007271","","","0.71073","MoKα","","0.0911","0.0458","","","0.0989","0.1177","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234066","8.1815","0.001","10.4039","0.0012","11.0969","0.0013","109.981","0.002","90.107","0.002","104.046","0.002","857.43","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-(4-chlorobenzyl)-3-phenyl-1<i>H</i>-pyrazole-5-carboxylate","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C38 H34 Cl2 N4 O4 -","2","1","ZJ2059","Hao, Ben-Qian; Xu, Wei-Ren; Meng, Fan-Cui; Duan, Gui-Yun","Ethyl 1-(4-chlorobenzyl)-3-phenyl-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2012","68","3","o877","","10.1107/S1600536812007428","","","0.71073","MoKα","","0.0459","0.0388","","","0.0991","0.1069","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234067","10.8587","0.0011","8.3068","0.0009","8.8465","0.0009","90","","99.782","0.002","90","","786.36","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,2'-bis(hydroxyimino)-3,3'-(hydrazinediylidene)dibutanoate","","- C12 H18 N4 O6 -","- C12 H18 N4 O6 -","- C24 H36 N8 O12 -","2","0.5","ZL2446","Li, Hui; Su, Peng-Fei; Tong, Jun-Feng; Wang, Bo-Zhou","Diethyl 2,2'-bis(hydroxyimino)-3,3'-(hydrazinediylidene)dibutanoate","Acta Crystallographica Section E","2012","68","3","o842","","10.1107/S1600536812007398","","","0.71073","MoKα","","0.0424","0.0386","","","0.1062","0.1103","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234068","32.7078","0.0018","32.7078","0.0018","7.4976","0.0006","90","","90","","90","","8020.9","0.9","200","2","200","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","tris(3-nitro-acetylacetonato)cobalt(III)","Tris(3-nitropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H18 Co N3 O12 -","- C15 H18 Co N3 O12 -","- C240 H288 Co16 N48 O192 -","16","1","ZL2451","Johnston, Dean H.; Brangham, Jack T.; Rapp, Christopher D.","Tris(3-nitropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","Acta Crystallographica Section E","2012","68","3","m312","m313","10.1107/S160053681200668X","","","0.71073","MoKα","","0.0292","0.0258","","","0.0599","0.0613","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234069","24.9655","0.001","3.8349","0.0001","26.7584","0.001","90","","115.488","0.005","90","","2312.52","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-{[(4<i>Z</i>)-1,2-Dimethyl-5-oxoimidazol-4-ylidene]methyl}- 4-hydroxybenzonitrile","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","ZL2452","Tsai, Hsing-Yang; Chang, Ming-Jen; Fang, Tzu-Chien; Luo, Ming-Hui; Chen, Kew-Yu","3-{[(4<i>Z</i>)-1,2-Dimethyl-5-oxoimidazol-4-ylidene]methyl}-4-hydroxybenzonitrile","Acta Crystallographica Section E","2012","68","3","o867","o868","10.1107/S1600536812007532","","","0.71073","MoKα","","0.0605","0.0418","","","0.1083","0.1121","","","","","","0.938","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234070","7.666","0.003","7.687","0.003","12.266","0.004","95.499","0.015","105.06","0.014","111.832","0.013","632.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-[(<i>Z</i>)-2-Butyltellanyl-1-chloroethenyl]cyclohex-1-ene","","- C12 H19 Cl Te -","- C12 H19 Cl Te -","- C24 H38 Cl2 Te2 -","2","1","ZL2453","Zukerman-Schpector, Julio; Caracelli, Ignez; Guadagnin, Rafael Carlos; Stefani, Hélio A.; Tiekink, Edward R. T.","1-[(<i>Z</i>)-2-Butyltellanyl-1-chloroethenyl]cyclohex-1-ene","Acta Crystallographica Section E","2012","68","3","o854","o855","10.1107/S1600536812007490","","","0.71073","MoKα","","0.0253","0.0232","","","0.0689","0.0693","","","","","","1.171","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234071","11.574","0.006","11.781","0.006","11.877","0.006","91.857","0.009","107.021","0.009","91.917","0.009","1546.2","1.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Br O3 -","- C17 H15 Br O3 -","- C68 H60 Br4 O12 -","4","2","ZQ2148","Li, Zhe; Wang, Yanan; Peng, Kesong; Chen, Lingzi; Chu, Shenghui","(<i>E</i>)-3-(2-Bromophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o776","","10.1107/S1600536812006046","","","0.71073","MoKα","","0.0918","0.0488","","","0.1222","0.1345","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234072","9.3308","0.0004","13.6186","0.0006","16.9974","0.0008","90","","100.696","0.001","90","","2122.37","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-6,6'-dicarboxylato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)rhodium(III)","","- C24 H13 N4 O8 Rh -","- C24 H13 N4 O8 Rh -","- C96 H52 N16 O32 Rh4 -","4","1","ZQ2151","Wang, Huimin; Gu, Xiaojun; Zhang, Bingbing; Su, Haiquan; Hu, Ming","(2,2'-Bipyridine-6,6'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)rhodium(III)","Acta Crystallographica Section E","2012","68","3","m290","m291","10.1107/S1600536812004850","","","0.71073","MoKα","","0.0268","0.0226","","","0.0583","0.061","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234073","12.4406","0.0014","15.5754","0.0018","25.741","0.003","90","","102.332","0.002","90","","4872.7","1","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(Biphenyl-4-yl)propan-2-ol","","- C15 H16 O -","- C15 H16 O -","- C240 H256 O16 -","16","2","ZQ2152","Modau, Eric; Liles, David C.; van Rooyen, Petrus H.","2-(Biphenyl-4-yl)propan-2-ol","Acta Crystallographica Section E","2012","68","3","o580","","10.1107/S1600536812003716","","","0.71073","MoKα","","0.0807","0.0462","","","0.1223","0.1467","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234074","10.1772","0.001","14.2576","0.0014","15.895","0.0016","90","","97.332","0.002","90","","2287.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-3,3-bis(morpholin-4-yl)-1-[2-(morpholin-4-yl)ethyl]- 2,3-dihydro-1<i>H</i>-indol-2-one","","- C23 H34 N4 O4 -","- C23 H34 N4 O4 -","- C92 H136 N16 O16 -","4","1","ZQ2153","Lin, Hui-Hui; Wu, Wei-Yao; Zhang, Jing-Jing; Cao, Sheng-Li","5-Methyl-3,3-bis(morpholin-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1<i>H</i>-indol-2-one","Acta Crystallographica Section E","2012","68","3","o821","","10.1107/S1600536812007155","","","0.71073","MoKα","","0.1309","0.0557","","","0.1122","0.1405","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234075","11.1878","0.0015","10.5349","0.0014","13.5586","0.0018","90","","101.424","0.002","90","","1566.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (<i>E</i>)-3-hydroxy-2-[(4-methoxystyryl)carbamoyl]but-2-enoate","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","ZS2172","Zhao, Sheng-Yin; Huang, Jing","Ethyl (<i>E</i>)-3-hydroxy-2-[(4-methoxystyryl)carbamoyl]but-2-enoate","Acta Crystallographica Section E","2012","68","3","o798","","10.1107/S1600536812006538","","","0.71073","MoKα","","0.0511","0.0425","","","0.1143","0.122","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234076","9.4424","0.0001","9.4424","0.0001","24.7343","0.0005","90","","90","","90","","2205.28","0.06","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","3-Carbamoyl-2,2-dimethylcyclopentane-1,1-dicarboxylic acid","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C80 H120 N8 O40 -","8","1","ZS2175","Knizhnikov, Volodymyr; Gorichko, Marian; Voitenko, Zoya","3-Carbamoyl-2,2-dimethylcyclopentane-1,1-dicarboxylic acid","Acta Crystallographica Section E","2012","68","3","o725","","10.1107/S1600536812005636","","","0.71073","MoKα","","0.0431","0.037","","","0.0963","0.0993","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234077","11.2611","0.0008","8.6686","0.0007","18.0976","0.0012","90","","105.266","0.008","90","","1704.3","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-3-[(3-Chloroanilino)(4-chlorophenyl)methyl]thian-4-one","","- C18 H17 Cl2 N O S -","- C18 H17 Cl2 N O S -","- C72 H68 Cl8 N4 O4 S4 -","4","1","ZS2176","Harms, Klaus; Abaee, M. Saeed; Mojtahedi, Mohammad M.; Mesbah, A. Wahid","<i>rac</i>-3-[(3-Chloroanilino)(4-chlorophenyl)methyl]thian-4-one","Acta Crystallographica Section E","2012","68","3","o646","","10.1107/S1600536812004680","","","0.71073","MoKα","","0.0472","0.0242","","","0.0461","0.0481","","","","","","0.64","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234078","5.4619","0.0012","6.8337","0.0015","12.546","0.003","90","","92.047","0.003","90","","467.98","0.18","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","<i>N</i>-2-hydroxyethyl unsaturated norcantharidin","<i>exo</i>,<i>exo</i>-4-(2-Hydroxyethyl)-10-oxa-4- azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","ZS2178","Tan, Xue-Jie; Li, Chen-Guang; Xing, Dian-Xiang; Liu, Yun","<i>exo</i>,<i>exo</i>-4-(2-Hydroxyethyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2012","68","3","o866","","10.1107/S160053681200788X","","","0.71073","MoKα","","0.0402","0.0399","","","0.1014","0.1017","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234079","21.618","0.001","11.0561","0.0006","9.3318","0.0005","90","","90","","90","","2230.4","0.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","ZS2179","Jothi, L.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","3","o897","","10.1107/S1600536812007635","","","0.71073","MoKα","","0.05","0.0356","","","0.09","0.0999","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234080","9.6576","0.0001","11.9134","0.0002","13.5395","0.0002","94.038","0.001","101.096","0.001","112.61","0.001","1393.13","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran","","- C15 H10 Br F O2 S -","- C15 H10 Br F O2 S -","- C60 H40 Br4 F4 O8 S4 -","4","2","ZS2180","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","3","o750","o751","10.1107/S1600536812005715","","","0.71073","MoKα","","0.0519","0.0351","","","0.0806","0.0873","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234081","11.8364","0.0012","32.598","0.003","3.7306","0.0004","90","","90","","90","","1439.4","0.3","291","2","291","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","2,3,4-Trihydroxybenzoic acid 0.25-hydrate","","- C7 H6.5 O5.25 -","- C7 H6.5 O5.25 -","- C56 H52 O42 -","8","2","ZS2181","Li, Jin-Hang; Dong, Fu-Yue; Cai, Fang; Yuan, Xiao-Feng; Jiang, Ren-Wang","2,3,4-Trihydroxybenzoic acid 0.25-hydrate","Acta Crystallographica Section E","2012","68","3","o825","o826","10.1107/S160053681200709X","","","0.71073","MoKα","","0.051","0.0358","","","0.0842","0.0904","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234082","9.7843","0.0004","9.8972","0.0003","15.4313","0.0006","72.086","0.002","79.301","0.002","70.5","0.002","1334.57","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-4-(2-Hydroxybenzylidene)-1-methyl-2-phenyl-1<i>H</i>- imidazol-5(4<i>H</i>)-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","ZS2183","Chang, Ming-Jen; Tsai, Hsing-Yang; Fang, Tzu-Chien; Luo, Ming-Hui; Chen, Kew-Yu","(<i>Z</i>)-4-(2-Hydroxybenzylidene)-1-methyl-2-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","3","o902","o903","10.1107/S1600536812007921","","","0.71073","MoKα","","0.0746","0.037","","","0.0781","0.1009","","","","","","0.802","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234083","7.2229","0.0014","11.874","0.002","11.079","0.002","90","","108.37","0.03","90","","901.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Bromo-1<i>H</i>-indole-3-carboxylic acid","","- C9 H6 Br N O2 -","- C9 H6 Br N O2 -","- C36 H24 Br4 N4 O8 -","4","1","AA2041","Zhao, Jing; Wang, Yan","6-Bromo-1<i>H</i>-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","4","o1019","","10.1107/S1600536812006381","","","0.71073","MoKα","","0.1089","0.0625","","","0.1382","0.1577","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234084","26.831","0.005","5.392","0.0011","12.217","0.002","90","","98.05","0.03","90","","1750.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-4-iodo-2-methylaniline","","- C7 H7 Br I N -","- C7 H7 Br I N -","- C56 H56 Br8 I8 N8 -","8","2","AA2048","Liu, Yan-Ju; Dai, Da-Shun","5-Bromo-4-iodo-2-methylaniline","Acta Crystallographica Section E","2012","68","4","o1001","","10.1107/S160053681200921X","","","0.71073","MoKα","","0.0998","0.0598","","","0.1464","0.1628","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234085","10.315","0.0004","11.8104","0.0005","26.1856","0.001","90","","98.629","0.003","90","","3153.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Methoxybenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole","21-[(4-methoxyphenyl)carbonyl]-2,2,7,7,12,12,17,17-octamethyl-21,22,23,24- tetraazapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa-3,5,13,15-tetraene","","- C36 H50 N4 O2 -","- C36 H50 N4 O2 -","- C144 H200 N16 O8 -","4","1","AA2052","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","4-Methoxybenzoyl-<i>meso</i>-octamethylcalix[2]pyrrolidino[2]pyrrole: an acyl chloride derivative of a partially reduced calix[4]pyrrole","Acta Crystallographica Section E","2012","68","4","o929","o930","10.1107/S1600536812008008","","","0.71073","MoKα","","0.0713","0.0451","","","0.0888","0.0966","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234086","12.0433","0.0004","8.5491","0.0003","14.7841","0.0005","90","","106.395","0.0019","90","","1460.27","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Bromophenyl)(4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)methanone","","- C15 H10 Br N O4 S -","- C15 H10 Br N O4 S -","- C60 H40 Br4 N4 O16 S4 -","4","1","AA2054","Sattar, Nazia; Siddiqui, Hamid Latif; Siddiqui, Waseeq Ahmad; Akram, Muhammad; Parvez, Masood","(2-Bromophenyl)(4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)methanone","Acta Crystallographica Section E","2012","68","4","o1247","","10.1107/S1600536812013281","","","0.71073","MoKα","","0.073","0.0477","","","0.0924","0.1055","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234087","16.9045","0.0012","8.0547","0.0006","19.3625","0.0014","90","","101.877","0.001","90","","2580","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2- methoxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","1","BG2438","Zhang, Heng; Zhao, Pei-Zheng","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-methoxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium","Acta Crystallographica Section E","2012","68","4","m443","","10.1107/S1600536812010835","","","0.71073","MoKα","","0.0266","0.0227","","","0.0567","0.0597","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234088","7.1996","0.0002","7.1996","0.0002","17.4511","0.0005","90","","90","","90","","904.56","0.04","120","","120","","","","","","","","","3","I -4 2 m","I -4 2","121","6<i>H</i>,13<i>H</i>-5:12,7:14- Dimethanodinaphtho[2,3-<i>d</i>:2,3-<i>i</i>][1,3,6,8]tetraazecine","1,12,14,25- tetraazaheptacyclo[12.12.1.1^12,25^.0^2,11^.0^4,9^.0^15,24^.0^17,22^]octacosa- 2,4(9),5,7,10,15,17(22),18,20,23-decaene","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.125","BG2445","Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","6<i>H</i>,13<i>H</i>-5,12:7,14-Dimethanodinaphtho[2,3-<i>d</i>:2,3-<i>i</i>][1,3,6,8]tetraazecine","Acta Crystallographica Section E","2012","68","4","o1061","","10.1107/S1600536812010185","","","1.5418","CuKα","","0.0274","0.027","","0.0767","0.076","0.0767","","","1.85","","","1.85","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234089","11.573","0.004","19.991","0.007","14.29","0.005","90","","105.903","0.004","90","","3179.5","1.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-\ κ^2^<i>O</i>,<i>O</i>']nickel(II) monohydrate","","- C38 H32 N4 Ni O5 -","- C38 H32 N4 Ni O5 -","- C152 H128 N16 Ni4 O20 -","4","0.5","BG2448","Yin, Fu-Jun; Han, Li-Jun; Hong, Zhao; Xu, Xing-You; Ren, Li","Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ^2^<i>O</i>,<i>O</i>']nickel(II) monohydrate","Acta Crystallographica Section E","2012","68","4","m416","","10.1107/S1600536812010021","","","0.71073","MoKα","","0.0886","0.0499","","","0.1038","0.1215","","","","","","0.993","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234090","17.7718","0.0011","5.9088","0.0004","13.6268","0.0008","90","","105.572","0.001","90","","1378.43","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaquadi-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-dinitrato- κ^4^<i>O</i>:<i>O</i>'-bis[3-(pyridin-4-yl-κ<i>N</i>)-5-(pyridin-3-yl)- 1,2,4-oxadiazole]dicopper(II)]","","- C24 H22 Cu2 N10 O12 -","- C24 H22 Cu2 N10 O12 -","- C48 H44 Cu4 N20 O24 -","2","0.5","BG2449","Wu, Longfei; Huang, Linxia; Shu, Mouhai","Poly[diaquadi-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-dinitrato-κ^4^<i>O</i>:<i>O</i>'-bis[3-(pyridin-4-yl-κ<i>N</i>)-5-(pyridin-3-yl)-1,2,4-oxadiazole]dicopper(II)]","Acta Crystallographica Section E","2012","68","4","m422","m423","10.1107/S1600536812010355","","","0.71073","MoKα","","0.0511","0.048","","","0.1306","0.1389","","","","","","1.047","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2234091","9.6102","0.0004","10.2681","0.0005","12.4154","0.0006","114.149","0.001","90.927","0.001","95.202","0.001","1111.4","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(8-Aminoquinoline-κ^2^<i>N</i>,<i>N</i>')bis(1,1,1,5,5,5-hexafluoropentane- 2,4-dionato-κ^2^<i>O</i>,<i>O'</i>)cobalt(II)","","- C19 H10 Co F12 N2 O4 -","- C19 H10 Co F12 N2 O4 -","- C38 H20 Co2 F24 N4 O8 -","2","1","BG2451","Harding, David J.; Sertphon, Darunee; Harding, Phimphaka","(8-Aminoquinoline-κ^2^<i>N</i>,<i>N</i>')bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)","Acta Crystallographica Section E","2012","68","4","m450","","10.1107/S1600536812011312","","","0.71073","MoKα","","0.033","0.0305","","","0.0763","0.0781","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234092","5.8748","0.0007","11.5315","0.0011","22.794","0.003","90","","91.701","0.009","90","","1543.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-methylbenzyl)diselane","","- C16 H18 Se2 -","- C16 H18 Se2 -","- C64 H72 Se8 -","4","1","BH2412","Zhou, Mei-Yun; Li, Yi-Qun; Zheng, Wen-Jie","1,2-Bis(4-methylbenzyl)diselane","Acta Crystallographica Section E","2012","68","4","o985","","10.1107/S1600536812007726","","","0.7107","MoKα","","0.0908","0.0514","","","0.0956","0.1114","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234093","7.4993","0.0003","17.1516","0.0007","10.0048","0.0005","90","","96.861","0.004","90","","1277.65","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxy-<i>N</i>-(4-nitrobenzyl)aniline","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","BH2415","Kapoor, Kamini; Gupta, Vivek K.; Kumar, Indresh; Mir, Nisar A.; Kant, Rajni","4-Methoxy-<i>N</i>-(4-nitrobenzyl)aniline","Acta Crystallographica Section E","2012","68","4","o988","","10.1107/S160053681200846X","","","0.71073","MoKα","","0.0742","0.0476","","","0.1127","0.1295","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234094","12.7767","0.001","13.0764","0.001","10.7711","0.0008","90","","90","","90","","1799.6","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Cyclohexyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C84 H84 F4 O8 S4 -","4","1","BH2416","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o944","","10.1107/S1600536812008343","","","0.71073","MoKα","","0.0474","0.0414","","","0.0925","0.0958","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234095","14.5299","0.0003","12.9778","0.0002","8.1776","0.0001","90","","92.615","0.001","90","","1540.41","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Chlorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Cl O3 S -","- C17 H15 Cl O3 S -","- C68 H60 Cl4 O12 S4 -","4","1","BH2417","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o945","","10.1107/S1600536812008355","","","0.71073","MoKα","","0.0441","0.0375","","","0.1003","0.1045","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234096","14.372","0.003","7.6483","0.0015","9.1561","0.0018","90","","106.89","0.03","90","","963","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(cyclohexylammonium) tetrabromidocuprate(II)","","- C12 H28 Br4 Cu N2 -","- C12 H28 Br4 Cu N2 -","- C24 H56 Br8 Cu2 N4 -","2","0.5","BH2418","Han, Meng Ting","Bis(cyclohexylammonium) tetrabromidocuprate(II)","Acta Crystallographica Section E","2012","68","4","m448","","10.1107/S1600536812011117","","","0.71073","MoKα","","0.0807","0.0469","","","0.0842","0.0948","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234097","7.7592","0.0003","8.0634","0.0004","14.9076","0.0007","94.09","0.004","92.961","0.003","99.326","0.004","916.13","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Bromobenzoic acid‒6-(4-bromophenyl)-3-methyl-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazole (1/1)","","- C17 H12 Br2 N4 O2 S -","- C17 H12 Br2 N4 O2 S -","- C34 H24 Br4 N8 O4 S2 -","2","1","BH2421","Kapoor, Kamini; Gupta, Vivek K.; Paul, Satya; Sahi, Seema; Kant, Rajni","4-Bromobenzoic acid‒6-(4-bromophenyl)-3-methyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole (1/1)","Acta Crystallographica Section E","2012","68","4","o1185","o1186","10.1107/S1600536812012184","","","0.71073","MoKα","","0.0897","0.048","","","0.0957","0.1161","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234098","7.0942","0.0005","13.792","0.0011","17.3108","0.0013","90","","90","","90","","1693.7","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>S</i>)-2-[(<i>S</i>,<i>E</i>)-2-Bromo-1-nitromethyl- 3-phenylallyl]-4-methylcyclohexanone","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","BH2424","Zhao, Long; Wu, Chao; Weng, Wen-Zeng; Yan, Chu-Xia; Xia, Ai-Bao","(2<i>S</i>,4<i>S</i>)-2-[(<i>S</i>,<i>E</i>)-2-Bromo-1-nitromethyl-3-phenylallyl]-4-methylcyclohexanone","Acta Crystallographica Section E","2012","68","4","o1253","","10.1107/S1600536812013098","","","0.71073","MoKα","","0.1088","0.04","","","0.0761","0.106","","","","","","0.909","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234099","3.942","0.0008","9.225","0.0018","21.864","0.004","96.46","0.03","90.34","0.03","90.99","0.03","789.9","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","4-Chloro-<i>N</i>-methylbenzamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","2","BQ2339","Yuan, Juan; Liu, Yan-Ju","4-Chloro-<i>N</i>-methylbenzamide","Acta Crystallographica Section E","2012","68","4","o937","","10.1107/S1600536812008641","","","0.71073","MoKα","","0.1231","0.0683","","","0.161","0.1876","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234100","15.286","0.003","13.61","0.003","11.231","0.002","90","","100.91","0.03","90","","2294.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(4-Chloro-2-fluorophenyl)-4-difluoromethyl-3-methyl-1<i>H</i>- 1,2,4-triazol-5(4<i>H</i>)-one","","- C10 H7 Cl F3 N3 O -","- C10 H7 Cl F3 N3 O -","- C80 H56 Cl8 F24 N24 O8 -","8","1","BQ2341","Ren, Dong-mei; Wang, Yong-yi","1-(4-Chloro-2-fluorophenyl)-4-difluoromethyl-3-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1048","","10.1107/S1600536812009452","","","0.71073","MoKα","","0.094","0.0503","","","0.1209","0.1432","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234101","10.3353","0.0018","12.988","0.002","13.955","0.003","69.938","0.003","81.728","0.002","70.722","0.003","1659.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-olato- κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)dioxidouranium(VI) methanol monosolvate","","- C36 H34 N4 O8 U -","- C36 H34 N4 O8 U -","- C72 H68 N8 O16 U2 -","2","1","BQ2342","Dehbi, Ouarda; Keraghel, Saida; Bouacida, Sofiane; Benghanem, Fatiha; Ourari, Ali","Bis(4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-olato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)dioxidouranium(VI) methanol monosolvate","Acta Crystallographica Section E","2012","68","4","m457","m458","10.1107/S1600536812011075","","","0.71073","MoKα","","0.0649","0.0453","","","0.0893","0.096","","","","","","0.997","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234102","17.235","0.003","13.419","0.003","15.586","0.003","90","","96.24","0.03","90","","3583.3","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-[(5-Carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid","","- C21 H14 O8 -","- C21 H14 O8 -","- C168 H112 O64 -","8","1","BQ2343","Du, Chao; Wu, Wei; Tian, Ge","4,4'-[(5-Carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid","Acta Crystallographica Section E","2012","68","4","o1243","","10.1107/S1600536812012275","","","0.71073","MoKα","","0.0681","0.0456","","","0.1136","0.1214","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234103","5.2738","0.0009","10.978","0.002","12.084","0.002","107.044","0.01","100.776","0.011","97.539","0.01","644.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-[(2-Hydroxy-3-methoxybenzylidene)amino]benzoic acid","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","BQ2344","Kargar, Hadi; Sharafi, Zahra; Kia, Reza; Ghelenji, Safoora; Tahir, Muhammad Nawaz","(<i>E</i>)-3-[(2-Hydroxy-3-methoxybenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2012","68","4","o1067","","10.1107/S1600536812010549","","","0.71073","MoKα","","0.14","0.0811","","","0.2038","0.2577","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234104","7.3563","0.0002","10.7448","0.0003","10.9066","0.0003","83.167","0.003","72.779","0.002","77.227","0.002","801.73","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)]","","- C28 H20 Cu2 I4 O10 -","- C28 H20 Cu2 I4 O10 -","- C28 H20 Cu2 I4 O10 -","1","0.5","BQ2345","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Tetrakis(μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)]","Acta Crystallographica Section E","2012","68","4","m409","m410","10.1107/S1600536812010367","","","0.71073","MoKα","","0.0202","0.0186","","","0.0442","0.0448","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234105","5.9181","0.001","13.492","0.002","17.592","0.003","90","","90","","90","","1404.7","0.4","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,2-Dimethylpropanoyl)-<i>N</i>'-(2-methoxyphenyl)thiourea","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","BQ2346","Kadir, Maisara A.; Yamin, Bohari M.; Yusof, M. Sukeri M.","<i>N</i>-(2,2-Dimethylpropanoyl)-<i>N</i>'-(2-methoxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1129","","10.1107/S1600536812010914","","","0.71073","MoKα","","0.0885","0.068","","","0.1383","0.1466","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234106","9.787","0.0009","11.059","0.001","12.1151","0.0012","109.448","0.002","104.538","0.002","107.98","0.002","1080.7","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(II) dibromide monohydrate","","- C20 H20 Br2 N6 O Pt -","- C20 H20 Br2 N6 O Pt -","- C40 H40 Br4 N12 O2 Pt2 -","2","1","BQ2347","Ha, Kwang","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(II) dibromide monohydrate","Acta Crystallographica Section E","2012","68","4","m518","","10.1107/S1600536812013062","","","0.71073","MoKα","","0.0392","0.0292","","","0.0616","0.0694","","","","","","1.053","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234107","14.6192","0.0018","13.2572","0.0016","25.707","0.003","90","","90","","90","","4982.3","1","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","<i>trans</i>-Bis(5-amino-1,3,4-thiadiazol-2-thiolato- κ<i>S</i>^2^)bis(triphenylphosphane-κ<i>P</i>)palladium(II) dimethyl sulfoxide disolvate hemihydrate","","- C44 H47 N6 O2.5 P2 Pd S6 -","- C44 H46 N6 O2.5 P2 Pd S6 -","- C176 H184 N24 O10 P8 Pd4 S24 -","4","0.5","BR2190","Chontal-Vidal, Felipe; Arroyo-Gómez, Maricela; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","<i>trans</i>-Bis(5-amino-1,3,4-thiadiazol-2-thiolato-κ<i>S</i>^2^)bis(triphenylphosphane-κ<i>P</i>)palladium(II) dimethyl sulfoxide disolvate hemihydrate","Acta Crystallographica Section E","2012","68","4","m483","m484","10.1107/S1600536812011555","","","0.71073","MoKα","","0.12","0.0567","","","0.1175","0.137","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234108","4.8272","0.0005","32.617","0.004","6.0585","0.0007","90","","105.995","0.001","90","","916.97","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>trans</i>-Diaquabis(<i>L</i>-phenylalaninato- κ^2^<i>N</i>,<i>O</i>)nickel(II)","","- C18 H24 N2 Ni O6 -","- C18 H24 N2 Ni O6 -","- C36 H48 N4 Ni2 O12 -","2","1","BR2191","Ghorbanloo, Massomeh; Shahbakhsh, Nahid; Choquesillo-Lazarte, Duane","<i>trans</i>-Diaquabis(<small>L</small>-phenylalaninato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","Acta Crystallographica Section E","2012","68","4","m446","","10.1107/S160053681201080X","","","0.71073","MoKα","","0.0237","0.0232","","","0.0577","0.058","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234109","6.7055","0.0001","8.9098","0.0002","11.9504","0.0004","103.016","0.002","103.795","0.002","105.729","0.001","634.52","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(propane-1,3-diamine)nickel(II) bis(propane-1,3-diamine)disulfatonickelate(II)","","- C12 H44 N8 Ni2 O10 S2 -","- C12 H44 N8 Ni2 O10 S2 -","- C12 H44 N8 Ni2 O10 S2 -","1","0.5","BR2192","Rusanova, Julia A.","Diaquabis(propane-1,3-diamine)nickel(II) bis(propane-1,3-diamine)disulfatonickelate(II)","Acta Crystallographica Section E","2012","68","4","m400","m401","10.1107/S1600536812009750","","","0.71073","MoKα","","0.0283","0.0239","","","0.0607","0.0627","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234110","10.019","0.002","11.307","0.002","16.403","0.003","103.54","0.03","92.96","0.03","99.77","0.03","1772.3","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-Bis[(4-nitrophenyl)cyanamido-κ<i>N</i>^1^]bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')nickel(II) methanol monosolvate","","- C39 H28 N10 Ni O5 -","- C39 H28 N10 Ni O5 -","- C78 H56 N20 Ni2 O10 -","2","1","BT5812","Chiniforoshan, Hossein; Jazestani, Mehdi; Notash, Behrouz","<i>cis</i>-Bis[(4-nitrophenyl)cyanamido-κ<i>N</i>^1^]bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) methanol monosolvate","Acta Crystallographica Section E","2012","68","4","m417","m418","10.1107/S1600536812009890","","","0.71073","MoKα","","0.0951","0.0605","","","0.125","0.1393","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234111","39.76","0.02","9.952","0.008","7.127","0.005","90","","90","","90","","2820","3","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","dihydrochloride fluphenazine dimethanol solvate","1-(2-hydroxyethyl)-4-[3-(2-trifluoromethyl-10<i>H</i>-phenothiazin- 10-yl)propyl]piperazine-1,4-diium dichloride dimethanol disolvate","","- C24 H36 Cl2 F3 N3 O3 S -","- C24 H36 Cl2 F3 N3 O3 S -","- C96 H144 Cl8 F12 N12 O12 S4 -","4","1","BT5828","Petrus, Joanna; Petrus, Rafał; Czarnik-Matusewicz, Bogusława","Fluphenazine dihydrochloride dimethanol solvate","Acta Crystallographica Section E","2012","68","4","o1004","o1005","10.1107/S1600536812008707","","","0.71073","MoKα","","0.1095","0.0836","","","0.1891","0.1973","","","","","","1.187","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234112","7.5022","0.0004","7.8301","0.0004","13.2379","0.0008","75.47","0.003","84.696","0.002","70.935","0.002","711.43","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(2-Chlorophenyl)-2-[(2-formylphenoxy)methyl]prop-2-enenitrile","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C34 H24 Cl2 N2 O4 -","2","1","BT5830","Manikandan, N.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(<i>E</i>)-3-(2-Chlorophenyl)-2-[(2-formylphenoxy)methyl]prop-2-enenitrile","Acta Crystallographica Section E","2012","68","4","o934","","10.1107/S1600536812008410","","","0.71073","MoKα","","0.0532","0.0406","","","0.1062","0.1142","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234113","6.2525","0.0003","7.8889","0.0004","14.5049","0.0007","82.828","0.003","87.261","0.002","72.426","0.002","676.69","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>,4<i>E</i>)-Ethyl 5-(phenylsulfonyl)penta-2,4-dienoate","","- C13 H14 O4 S -","- C13 H14 O4 S -","- C26 H28 O8 S2 -","2","1","BT5831","Sankar, Ulaganathan; Sabari, V.; Suresh, G.; Uma, Ramakrishnan; Aravindhan, S.","(2<i>E</i>,4<i>E</i>)-Ethyl 5-(phenylsulfonyl)penta-2,4-dienoate","Acta Crystallographica Section E","2012","68","4","o1093","","10.1107/S1600536812009907","","","0.71073","MoKα","","0.0508","0.0427","","","0.1412","0.1467","","","","","","1.874","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234114","4.8089","0.0008","10.278","0.001","23.062","0.003","90","","90.69","0.02","90","","1139.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Chloro-3-nitrophenyl)succinamic acid","","- C10 H9 Cl N2 O5 -","- C10 H9 Cl N2 O5 -","- C40 H36 Cl4 N8 O20 -","4","1","BT5832","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chloro-3-nitrophenyl)succinamic acid","Acta Crystallographica Section E","2012","68","4","o951","","10.1107/S1600536812008720","","","0.71073","MoKα","","0.0962","0.0647","","","0.1507","0.169","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234115","8.0138","0.0003","10.7218","0.0005","28.0174","0.0013","90","","90","","90","","2407.32","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>,3<i>R</i>,6<i>R</i>,7<i>S</i>,8<i>R</i>, 10<i>S</i>,11<i>S</i>)-13-{[4-(4-Chlorophenyl)piperazin-1-yl]methyl}- 10-hydroxy-4,9-dimethyl-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C25 H33 Cl N2 O5 -","- C25 H33 Cl N2 O5 -","- C100 H132 Cl4 N8 O20 -","4","1","BT5834","Moumou, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Adil, Mina; Berraho, Moha","(1<i>S</i>,2<i>R</i>,3<i>R</i>,6<i>R</i>,7<i>S</i>,8<i>R</i>,10<i>S</i>,11<i>S</i>)-13-{[4-(4-Chlorophenyl)piperazin-1-yl]methyl}-10-hydroxy-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","4","o1147","o1148","10.1107/S1600536812011816","","","0.71073","MoKα","","0.061","0.0405","","","0.0928","0.1022","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234116","8.2137","0.0007","14.3714","0.0013","16.6728","0.0015","90","","90","","90","","1968.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-(Phenylsulfonyl)-2-(diphenylthiophosphinoyl)propane","Diphenyl[2-(phenylsulfonyl)propan-2-yl]-λ^5^-phosphanethione","","- C21 H21 O2 P S2 -","- C21 H21 O2 P S2 -","- C84 H84 O8 P4 S8 -","4","1","BT5837","Gessner, Viktoria H.","Diphenyl[2-(phenylsulfonyl)propan-2-yl]-λ^5^-phosphanethione","Acta Crystallographica Section E","2012","68","4","o1045","","10.1107/S1600536812010082","","","0.71073","MoKα","","0.0261","0.0254","","","0.0672","0.0679","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234117","5.9333","0.0008","7.6605","0.0006","22.386","0.003","90","","91.582","0.014","90","","1017.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-2-(Furan-2-ylmethylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","BT5838","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-(Furan-2-ylmethylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","4","o1065","","10.1107/S1600536812010501","","","0.71073","MoKα","","0.0956","0.0807","","","0.2419","0.2511","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234118","7.9314","0.0004","19.2029","0.0017","9.1247","0.0005","90","","96.368","0.005","90","","1381.17","0.16","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dihexyloxy-2,5-bis(2-nitrophenyl)benzene","","- C30 H36 N2 O6 -","- C30 H36 N2 O6 -","- C60 H72 N4 O12 -","2","0.5","BT5839","Wrobel, Norma; Schollmeyer, Dieter; Detert, Heiner","1,4-Dihexyloxy-2,5-bis(2-nitrophenyl)benzene","Acta Crystallographica Section E","2012","68","4","o1022","","10.1107/S1600536812009944","","","0.71073","MoKα","","0.0579","0.0437","","","0.1119","0.1197","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234119","10.5251","0.0003","15.4352","0.0005","8.2335","0.0002","90","","99.214","0.003","90","","1320.33","0.07","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Methylbenzyl)-1<i>H</i>-indole-3-carbaldehyde","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","BT5840","Wu, Yang; Ren, Wen; Wang, Qiang; He, Gu","1-(2-Methylbenzyl)-1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2012","68","4","o1151","","10.1107/S1600536812010306","","","0.7107","MoKα","","0.0714","0.0466","","","0.1015","0.1171","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234120","9.1633","0.0002","32.372","0.0007","12.9834","0.0004","90","","106.685","0.003","90","","3689.17","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triprolidinium dichloranilate‒chloranilic acid‒methanol‒water (2/1/2/2)","2-[1-(4-Methylphenyl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis(2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate) 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione methanol monohydrate","","- C35 H33 Cl5 N2 O12 -","- C35 H33 Cl5 N2 O12 -","- C140 H132 Cl20 N8 O48 -","4","1","BT5841","Dayananda, A. S.; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Narayana, B.","Triprolidinium dichloranilate‒chloranilic acid‒methanol‒water (2/1/2/2)","Acta Crystallographica Section E","2012","68","4","o1037","o1038","10.1107/S1600536812010136","","","1.54184","CuKα","","0.0584","0.0519","","","0.1332","0.1373","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234121","15.0613","0.0008","7.6334","0.0004","16.6354","0.0008","90","","93.522","0.002","90","","1908.94","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Methyl 3-(3,4-dimethoxyphenyl)-2-[(1,3-dioxoisoindolin-2-yl)methyl]acrylate","","- C21 H19 N O6 -","- C21 H19 N O6 -","- C84 H76 N4 O24 -","4","1","BT5842","Kannan, D.; Bakthadoss, M.; Lakshmanan, D.; Murugavel, S.","(<i>E</i>)-Methyl 3-(3,4-dimethoxyphenyl)-2-[(1,3-dioxoisoindolin-2-yl)methyl]acrylate","Acta Crystallographica Section E","2012","68","4","o1107","","10.1107/S1600536812010975","","","0.71073","MoKα","","0.0869","0.0553","","","0.1776","0.1972","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234122","11.1657","0.001","5.0858","0.0004","15.3034","0.0011","90","","111.13","0.009","90","","810.6","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","BT5843","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2012","68","4","o1088","","10.1107/S1600536812010896","","","0.71073","MoKα","","0.0696","0.0497","","","0.1209","0.1359","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234123","10.1656","0.0003","14.1135","0.0005","12.9372","0.0004","90","","91.547","0.003","90","","1855.45","0.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[2-(Benzylamino)phenyl]-2,6-dimethylquinoline <i>N</i>-oxide","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","BT5844","Geffe, Mario; Schollmeyer, Dieter; Detert, Heiner","4-[2-(Benzylamino)phenyl]-2,6-dimethylquinoline <i>N</i>-oxide","Acta Crystallographica Section E","2012","68","4","o1106","","10.1107/S1600536812011002","","","1.54178","CuKα","","0.0538","0.0503","","","0.1487","0.1544","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234124","25.573","0.003","25.573","0.003","18.593","0.002","90","","90","","120","","10530","2","123","2","123","2","","","","","","","","6","P 63","P 6c","173","","Di-μ-iodido-bis{[(<i>R</i>)-(+)-2,2'-bis(diphenylphosphanyl)- 1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I)} 0.67-hydrate","","- C88 H65.33 Cu2 I2 O0.67 P4 -","- C88 H65.32 Cu2 I2 O0.66 P4 -","- C528 H391.92 Cu12 I12 O3.96 P24 -","6","1","BT5845","Volz, Daniel; Nieger, Martin; Bräse, Stefan","Di-μ-iodido-bis{[(<i>R</i>)-(+)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I)} 0.67-hydrate","Acta Crystallographica Section E","2012","68","4","m466","m467","10.1107/S1600536812011051","","","0.71073","MoKα","","0.0351","0.0299","","","0.0765","0.0811","","","","","","1.091","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2234125","11.9035","0.0006","10.4472","0.0005","23.7435","0.0012","90","","92.296","0.004","90","","2950.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H11 Cl2 F O2 -","- C16 H11 Cl2 F O2 -","- C128 H88 Cl16 F8 O16 -","8","2","BT5846","Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Narayana, B.","(2<i>E</i>)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1163","","10.1107/S1600536812011841","","","0.71073","MoKα","","0.0865","0.0611","","","0.1303","0.1453","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234126","19.856","0.004","7.8491","0.0014","25.338","0.005","90","","95.153","0.002","90","","3933","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')[<i>N</i>,<i>N</i>'-1,4- phenylenebis(pyridine-4-carboxamide)-κ<i>N</i>^1^](4-{[4-(pyridine-4- carboxamido-κ<i>N</i>^1^)phenyl]carbamoyl}pyridin-1-ium)neodymium(III)","","- C36 H29 N12 Nd O16 -","- C36 H29 N12 Nd O16 -","- C144 H116 N48 Nd4 O64 -","4","0.5","BT5847","Zhang, Yun; Hao, Jiao-Jiao; Zhou, Hu","Tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')[<i>N</i>,<i>N</i>'-1,4-phenylenebis(pyridine-4-carboxamide)-κ<i>N</i>^1^](4-{[4-(pyridine-4-carboxamido-κ<i>N</i>^1^)phenyl]carbamoyl}pyridin-1-ium)neodymium(III)","Acta Crystallographica Section E","2012","68","4","m459","","10.1107/S1600536812011397","","","0.71073","MoKα","","0.0336","0.0291","","","0.068","0.0698","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234127","11.1489","0.0002","25.8458","0.0004","12.5941","0.0003","90","","110.263","0.002","90","","3404.43","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dicarbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5- tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κ<i>P</i>]biphenyl}hydridorhodium(I) diethyl ether monosolvate","","- C80 H79 O11 P2 Rh -","- C80 H79 O11 P2 Rh -","- C160 H158 O22 P4 Rh2 -","2","1","BT5848","Selent, Detlef; Spannenberg, Anke; Börner, Armin","Dicarbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κ<i>P</i>]biphenyl}hydridorhodium(I) diethyl ether monosolvate","Acta Crystallographica Section E","2012","68","4","m488","","10.1107/S1600536812011786","","","0.71073","MoKα","","0.0326","0.0277","","","0.0617","0.0625","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234128","11.5197","0.0006","25.1585","0.0012","11.9564","0.0006","90","","90.719","0.005","90","","3464.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-amino-1-(4-methoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","2","BT5850","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","A second monoclinic polymorph for 3-amino-1-(4-methoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o1157","o1158","10.1107/S1600536812011798","","","0.71073","MoKα","","0.0984","0.0599","","","0.1311","0.1558","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234129","3.8754","0.0002","8.7795","0.0005","12.1773","0.0007","97.517","0.005","90.962","0.005","98.689","0.005","405.76","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-[(1-Methyl-1<i>H</i>-pyrrol-2-yl)methylidene]propanedinitrile","","- C9 H7 N3 -","- C9 H7 N3 -","- C18 H14 N6 -","2","1","BT5851","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Thabaiti, Shaeel A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(1-Methyl-1<i>H</i>-pyrrol-2-yl)methylidene]propanedinitrile","Acta Crystallographica Section E","2012","68","4","o1170","","10.1107/S160053681201197X","","","0.71073","MoKα","","0.0624","0.0445","","","0.1095","0.1242","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234130","33.157","0.004","10.3007","0.0014","20.105","0.003","90","","124.447","0.002","90","","5662.6","1.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-hydroxybenzoate 2-hydroxybenzoic acid monosolvate","","- C31 H30 F2 N2 O6 -","- C31 H30 F2 N2 O6 -","- C248 H240 F16 N16 O48 -","8","1","BT5853","Dayananda, A. S.; Yathirajan, H. S.; Flörke, Ulrich","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-hydroxybenzoate 2-hydroxybenzoic acid monosolvate","Acta Crystallographica Section E","2012","68","4","o1180","","10.1107/S1600536812012329","","","0.71073","MoKα","","0.0825","0.0468","","","0.1137","0.1378","","","","","","0.856","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234131","13.6219","0.0003","6.8766","0.0002","16.2369","0.0004","90","","96.091","0.002","90","","1512.36","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Dimethylpyrano[2,3-<i>c</i>]pyrazol-6(2<i>H</i>)-one","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","2","BT5857","Shahid, Bilal; Zia-ur-Rehman, Muhammad; Nadeem Arshad, Muhammad; Nazir, Rabia; Şahin, Ertan","3,4-Dimethylpyrano[2,3-<i>c</i>]pyrazol-6(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1217","","10.1107/S1600536812012779","","","0.71073","MoKα","","0.0677","0.0414","","","0.1018","0.1169","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234132","7.6338","0.0002","15.5335","0.0004","28.796","0.0007","90","","90","","90","","3414.62","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Chloro-4-[(<i>E</i>)-2-(3,4,5-trimethoxybenzylidene)hydrazin-1-yl]quinoline","","- C19 H18 Cl N3 O3 -","- C19 H18 Cl N3 O3 -","- C152 H144 Cl8 N24 O24 -","8","1","BT5858","de Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","7-Chloro-4-[(<i>E</i>)-2-(3,4,5-trimethoxybenzylidene)hydrazin-1-yl]quinoline","Acta Crystallographica Section E","2012","68","4","o1214","o1215","10.1107/S1600536812012755","","","0.71073","MoKα","","0.0429","0.0355","","","0.0962","0.1008","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234133","7.2541","0.0002","10.0362","0.0002","14.6793","0.0003","100.978","0.001","92.047","0.001","109.043","0.001","986.2","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Nitro-1-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","","- C10 H7 N3 O3 -","- C10 H7 N3 O3 -","- C40 H28 N12 O12 -","4","2","BT5859","Ouzidan, Younes; Kandri Rodi, Youssef; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","5-Nitro-1-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2012","68","4","o1240","","10.1107/S1600536812013177","","","0.71073","MoKα","","0.0804","0.0451","","","0.1217","0.1582","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234134","5.6042","0.0004","19.5147","0.0019","7.0656","0.0005","90","","106.835","0.005","90","","739.61","0.11","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Dibromidobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc","","- C10 H10 Br2 N6 O2 Zn -","- C10 H10 Br2 N6 O2 Zn -","- C20 H20 Br4 N12 O4 Zn2 -","2","0.5","BT5863","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromidobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc","Acta Crystallographica Section E","2012","68","4","m527","","10.1107/S1600536812013335","","","0.71073","MoKα","","0.0583","0.0455","","","0.1058","0.1106","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234135","12.8242","0.0008","7.0696","0.0005","21.5409","0.0014","90","","101.029","0.002","90","","1916.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate","2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo- 1,2,3,6-tetrahydropyrimidin-4-olate","","- C18 H17 N5 O7 -","- C18 H17 N5 O7 -","- C72 H68 N20 O28 -","4","1","BV2197","Sridevi, Gunaseelan; Kalaivani, Doraisamyraja","2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate","Acta Crystallographica Section E","2012","68","4","o1044","","10.1107/S1600536812009440","","","0.71073","MoKα","","0.0496","0.0363","","","0.0899","0.0988","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234136","7.591","0.002","11.303","0.004","13.818","0.004","88.155","0.004","87.008","0.004","86.233","0.004","1180.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 5-(4-aminophenyl)isoxazole-3-carboxylate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","2","BV2198","Zhao, Jun-Tao; Qi, Jing-Jing; Zhou, You-Jun; Lv, Jia-Guo; Zhu, Ju","Ethyl 5-(4-aminophenyl)isoxazole-3-carboxylate","Acta Crystallographica Section E","2012","68","4","o1111","","10.1107/S1600536812010653","","","0.71073","MoKα","","0.0705","0.0435","","","0.1078","0.122","","","","","","0.975","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234137","16.3594","0.0008","15.5106","0.0008","8.4686","0.0004","90","","90","","90","","2148.86","0.18","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C19 H16 Br4 Cu N2 O2 -","- C19 H16 Br4 Cu N2 O2 -","- C76 H64 Br16 Cu4 N8 O8 -","4","0.5","BV2199","Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","4","m392","","10.1107/S1600536812009397","","","0.71073","MoKα","","0.0786","0.0387","","","0.068","0.078","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234138","9.3473","0.0004","9.4418","0.0004","19.784","0.0007","90","","113.83","0.002","90","","1597.19","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol- 1-yl]ethanone","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","BV2200","Fun, Hoong-Kun; Quah, Ching Kheng; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","4","o1023","","10.1107/S1600536812009439","","","0.71073","MoKα","","0.0448","0.0366","","","0.1022","0.1086","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234139","13.3326","0.0008","13.5487","0.0008","18.1703","0.0011","90","","100.036","0.003","90","","3232","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethoxy]- 1-(3,4,5-trimethoxyphenyl)ethane","5-{2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5- trimethoxyphenyl)ethoxy]ethyl}-1,2,3-trimethoxybenzene","","- C34 H36 Cl2 O7 -","- C34 H36 Cl2 O7 -","- C136 H144 Cl8 O28 -","4","1","BX2396","Fu, Ying; Yuan, Mu; Hu, Xuemei; Yang, Yanshou; Hou, Hongxia","5-{2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethoxy]ethyl}-1,2,3-trimethoxybenzene","Acta Crystallographica Section E","2012","68","4","o1007","","10.1107/S1600536812008823","","","0.71073","MoKα","","0.0756","0.043","","","0.1008","0.1159","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234140","9.1568","0.001","7.7541","0.0008","17.6764","0.0019","90","","96.266","0.001","90","","1247.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',4'-Dimethoxybiphenyl-4-carbonitrile","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","BX2401","Li, Xin-Min; Hou, Yan-Jun; Mei, Peng; Chu, Wen-Yi; Sun, Zhi-Zhong","3',4'-Dimethoxybiphenyl-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1137","","10.1107/S1600536812011464","","","0.71073","MoKα","","0.0498","0.036","","","0.0961","0.1036","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234141","10.951","0.003","6.678","0.002","5.0329","0.0014","90","","114.25","0.004","90","","335.58","0.17","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","5,5'-(Ethane-1,2-diyl)bis(1<i>H</i>-tetrazole)","","- C4 H6 N8 -","- C4 H6 N8 -","- C8 H12 N16 -","2","0.25","CV5246","Qiao, Cheng-Fang; Zhou, Chun-Sheng; Wei, Qing; Xia, Zheng-Qiang","A new polymorph of 5,5'-(ethane-1,2-diyl)bis(1<i>H</i>-tetrazole)","Acta Crystallographica Section E","2012","68","4","o989","","10.1107/S1600536812008483","","","0.71073","MoKα","","0.0401","0.0372","","","0.0936","0.0975","","","","","","1.092","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234142","7.7503","0.0002","11.7894","0.0003","17.282","0.0004","90","","90","","90","","1579.08","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","CV5248","Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-<i>N</i>'-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2012","68","4","o1002","","10.1107/S1600536812009099","","","1.54178","CuKα","","0.0569","0.0486","","","0.1363","0.1452","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234143","17.0813","0.001","14.1248","0.0008","6.19","0.0005","90","","99.669","0.006","90","","1472.25","0.17","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(Naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol","","- C18 H12 F3 N O2 -","- C18 H12 F3 N O2 -","- C72 H48 F12 N4 O8 -","4","1","CV5250","Pekdemir, Merve; Şahin, Zarife Sibel; Işık, Şamil; Alaman Ağar, Ayşen; Öztürk Yıldırım, Sema; Butcher, Ray J.","2-[(<i>E</i>)-(Naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol","Acta Crystallographica Section E","2012","68","4","o1024","","10.1107/S1600536812009361","","","0.71073","MoKα","","0.0559","0.0487","","","0.125","0.1301","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234144","10.098","0.0004","15.8936","0.0006","10.001","0.0003","90","","112.005","0.002","90","","1488.17","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(phenyliminomethyl)quinoline-<i>N</i>,<i>N</i>']palladium(II)","","- C16 H12 Cl2 N2 Pd -","- C16 H12 Cl2 N2 Pd -","- C64 H48 Cl8 N8 Pd4 -","4","1","CV5251","Motswainyana, William M.; Onani, Martin O.; Madiehe, Abram M.","Dichlorido[2-(phenyliminomethyl)quinoline-<i>N</i>,<i>N</i>']palladium(II)","Acta Crystallographica Section E","2012","68","4","m380","","10.1107/S1600536812009130","","","0.71073","MoKα","","0.053","0.0296","","","0.0578","0.0634","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234145","9.5215","0.0009","14.7867","0.0014","12.8055","0.0012","90","","100.645","0.002","90","","1771.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(<i>Z</i>)-(<i>n</i>-Butylamino)(phenyl)methylidene]-3-methyl- 1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","CV5252","Wang, Hai-Wen","4-[(<i>Z</i>)-(<i>n</i>-Butylamino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o969","","10.1107/S1600536812009166","","","0.71073","MoKα","","0.059","0.04","","","0.0933","0.103","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234146","15.687","0.01","10.485","0.009","8.255","0.004","90","","96.19","0.03","90","","1349.9","1.6","290","2","290","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","5-(4-Methylphenylsulfonyl)-1,3-dithiolo[4,5-<i>c</i>]pyrrole-2-thione","","- C12 H9 N O2 S4 -","- C12 H9 N O2 S4 -","- C48 H36 N4 O8 S16 -","4","0.5","CV5254","Zheng, Ning-Juan; Yin, Bing-Zhu","5-(4-Methylphenylsulfonyl)-1,3-dithiolo[4,5-<i>c</i>]pyrrole-2-thione","Acta Crystallographica Section E","2012","68","4","o1046","","10.1107/S1600536812009622","","","0.71073","MoKα","","0.0323","0.0294","","","0.0828","0.0943","","","","","","1.187","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234147","6.4234","0.0003","9.2394","0.0004","15.8494","0.0007","79.993","0.001","86.689","0.002","66.622","0.001","850.22","0.07","296","1","296","1","","","","","","","","3","P -1","-P 1","2","6,6'-(Pentane-1,1-diyl)bis(5-hydroxy-2-(hydroxymethyl)-4<i>H</i>-pyran-4-one)","3,3'-Dihydroxy-6,6'-bis(hydroxymethyl)-2,2'-(pentane-1,1-diyl)di- 4<i>H</i>-pyran-4-one","","- C17 H20 O8 -","- C17 H20 O8 -","- C34 H40 O16 -","2","1","CV5255","Liu, Mu-Song; Hu, Pan-Pan; Zhou, Tao","3,3'-Dihydroxy-6,6'-bis(hydroxymethyl)-2,2'-(pentane-1,1-diyl)di-4<i>H</i>-pyran-4-one","Acta Crystallographica Section E","2012","68","4","o1064","","10.1107/S1600536812010276","","","0.71073","MoKα","","0.0572","0.043","","","0.1078","0.1199","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234148","8.4897","0.0017","8.5777","0.0017","9.3677","0.0019","89.36","0.03","68.27","0.03","65.12","0.03","566.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2,2-Trifluoro-<i>N</i>-(4-methyl-2-oxo-2<i>H</i>-chromen-7-yl)acetamide","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C24 H16 F6 N2 O6 -","2","1","CV5256","Li, Hong-Da; Yin, Bing-Zhu","2,2,2-Trifluoro-<i>N</i>-(4-methyl-2-oxo-2<i>H</i>-chromen-7-yl)acetamide","Acta Crystallographica Section E","2012","68","4","o1003","","10.1107/S1600536812009634","","","0.71073","MoKα","","0.068","0.0464","","","0.1325","0.1432","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234149","7.4103","0.0002","15.1916","0.0005","11.6408","0.0004","90","","99.443","0.003","90","","1292.7","0.07","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","2","CV5258","Anthal, Sumati; Sambyal, Ambika; Bamzai, R. K.; Kant, Rajni; Gupta, Vivek K.","3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1063","","10.1107/S1600536812010495","","","0.71073","MoKα","","0.0661","0.0429","","","0.0889","0.1001","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234150","13.0928","0.0004","11.6978","0.0003","11.3673","0.0003","90","","99.232","0.003","90","","1718.43","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Oxo-2<i>H</i>-benzo[<i>h</i>]chromen-4-yl)methyl morpholine-4-carbodithioate","","- C19 H17 N O3 S2 -","- C19 H17 N O3 S2 -","- C76 H68 N4 O12 S8 -","4","1","CV5260","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Kour, Gurvinder; Kumar, K. Mahesh; Mahabaleshwaraiah, N. M.; Kotresh, O.","(2-Oxo-2<i>H</i>-benzo[<i>h</i>]chromen-4-yl)methyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2012","68","4","o1104","o1105","10.1107/S160053681201094X","","","0.71073","MoKα","","0.0505","0.0382","","","0.0949","0.1036","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234151","14.5826","0.0012","8.5467","0.0008","12.6369","0.001","90","","113.037","0.005","90","","1449.4","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-2-hydroxyphenyl)(4-propylcyclohexyl)methanone","","- C16 H21 Br O2 -","- C16 H21 Br O2 -","- C64 H84 Br4 O8 -","4","1","CV5261","Meng, Kang; Cao, Miao; An, Zhuo-Ling; Zhang, Jie; Liu, Li-Hong","(5-Bromo-2-hydroxyphenyl)(4-propylcyclohexyl)methanone","Acta Crystallographica Section E","2012","68","4","o1181","","10.1107/S1600536812011634","","","0.71073","MoKα","","0.0329","0.0284","","","0.0604","0.0622","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234152","8.0528","0.0016","11.683","0.002","21.922","0.004","90","","96.66","0.03","90","","2048.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridyl‒4,4'-(hydroxymethylene)dibenzoic acid (1/1)","","- C25 H20 N2 O5 -","- C25 H20 N2 O5 -","- C100 H80 N8 O20 -","4","1","CV5265","Qin, Lan; Xu, Lan-Ping; Han, Lei","4,4'-Bipyridyl‒4,4'-(hydroxymethylene)dibenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","4","o1175","","10.1107/S1600536812011956","","","0.71073","MoKα","","0.1559","0.0774","","","0.171","0.2099","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234153","8.6754","0.0013","15.1114","0.0017","15.629","0.003","92.903","0.016","97.143","0.013","95.515","0.009","2019.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","i>catena</i>-Poly[[bis(μ~3~-5-hydroxyisophthalato)bis(pyrazino[2,3- <i>f</i>][1,10]phenanthroline)dicadmium] dihydrate]","","- C44 H28 Cd2 N8 O12 -","- C44 H28 Cd2 N8 O12 -","- C88 H56 Cd4 N16 O24 -","2","1","DS2166","Zhao, Peng-Cheng","<i>catena</i>-Poly[[bis(μ~3~-5-hydroxyisophthalato)bis(pyrazino[2,3-<i>f</i>][1,10]phenanthroline)dicadmium] dihydrate]","Acta Crystallographica Section E","2012","68","4","m477","m478","10.1107/S1600536812011695","","","0.71073","MoKα","","0.0461","0.0306","","","0.0934","0.1135","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234154","7.4268","0.0012","11.3884","0.0018","39.447","0.006","90","","90","","90","","3336.4","0.9","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","DS2176","Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o974","","10.1107/S1600536812008847","","","0.71073","MoKα","","0.1009","0.0562","","","0.1299","0.1541","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234155","8.69","0.001","15.241","0.001","11.116","0.001","90","","106.847","0.01","90","","1409.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-(Dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>][2-(dimethylamino)ethanolato- κ^2^<i>N</i>,<i>O</i>]iodidocopper(II)","","- C8 H21 Cu I N2 O2 -","- C8 H21 Cu I N2 O2 -","- C32 H84 Cu4 I4 N8 O8 -","4","1","DS2178","Buvaylo, Elena A.; Kokozay, Volodymyr N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","[2-(Dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>][2-(dimethylamino)ethanolato-κ^2^<i>N</i>,<i>O</i>]iodidocopper(II)","Acta Crystallographica Section E","2012","68","4","m419","m420","10.1107/S1600536812010215","","","0.71069","MoKα","","0.1935","0.0582","","","0.1494","0.2037","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234156","11.447","0.005","7.209","0.006","15.236","0.005","90","","109.313","0.005","90","","1186.5","1.2","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(propane-1,3-diamine)disaccharinatonickel(II)","Bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')bis(1,1,3-trioxo-2,3- dihydro-1λ^6,2^-benzothiazol-2-ido-κ<i>N</i>)nickel(II)","","- C20 H28 N6 Ni O6 S2 -","- C20 H28 N6 Ni O6 S2 -","- C40 H56 N12 Ni2 O12 S4 -","2","0.5","DS2179","Kaştaş, Gökhan; Kocabıyık, Can","Bis(propane-1,3-diamine)disaccharinatonickel(II)","Acta Crystallographica Section E","2012","68","4","m425","m426","10.1107/S1600536812010525","","","0.71069","MoKα","","0.037","0.0326","","","0.0964","0.1008","","","","","","0.826","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234157","7.65363","0.00008","10.45169","0.00013","24.7538","0.0003","90","","90.227","0.001","90","","1980.12","0.04","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>mer</i>-diaquatris(1<i>H</i>-imidazole- κ<i>N</i>^3^)(terephthalato-κ<i>O</i>)cobalt(II) monohydrate","","- C17 H22 Co N6 O7 -","- C17 H22 Co N6 O7 -","- C68 H88 Co4 N24 O28 -","4","1","DS2181","Benkanoun, Aouaouche; Balegroune, Fadila; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude","Intra- and supramolecular interactions in <i>cis</i>,<i>mer</i>-diaquatris(1<i>H</i>-imidazole-κ<i>N</i>^3^)(terephthalato-κ<i>O</i>)cobalt(II) monohydrate","Acta Crystallographica Section E","2012","68","4","m480","m481","10.1107/S1600536812011993","","","0.71073","MoKα","","0.0355","0.0286","","","0.0669","0.0706","","","","","","1.082","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234158","16.191","0.0003","12.9931","0.0003","20.8743","0.0004","90","","109.091","0.001","90","","4149.83","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chlorospiro[indoline-3,7'-6<i>H</i>,7<i>H</i>,8<i>H</i>-pyrano[3,2- <i>c</i>:5,6-<i>c</i>']di[1]benzopyran]-2,6',8'-trione","","- C26 H12 Cl N O6 -","- C26 H12 Cl N O6 -","- C208 H96 Cl8 N8 O48 -","8","2","DS2182","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Kanagalaksmi, S.; Suresh, J.","5-Chlorospiro[indoline-3,7'-6<i>H</i>,7<i>H</i>,8<i>H</i>-pyrano[3,2-<i>c</i>:5,6-<i>c</i>']di[1]benzopyran]-2,6',8'-trione","Acta Crystallographica Section E","2012","68","4","o1172","","10.1107/S1600536812011932","","","0.71073","MoKα","","0.1119","0.079","","","0.1535","0.1639","","","","","","1.161","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234159","18.901","0.003","6.4504","0.001","34.222","0.006","90","","96.77","0.03","90","","4143.2","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 4-nitrobenzenesulfonate","","- C22 H23 N3 O5 S -","- C22 H23 N3 O5 S -","- C176 H184 N24 O40 S8 -","8","2","EZ2278","Li, Liang; Dai, Yiqiang; Jin, Yun; Yang, Huai; Yang, Zhou","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 4-nitrobenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o994","","10.1107/S1600536812009300","","","0.71073","MoKα","","0.0928","0.0749","","","0.1632","0.176","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234160","25.7589","0.0016","4.9618","0.0003","12.9205","0.0008","90","","103.648","0.003","90","","1604.75","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chlorobenzohydrazide","","- C7 H7 Cl N2 O -","- C7 H7 Cl N2 O -","- C56 H56 Cl8 N16 O8 -","8","2","EZ2284","Ahmad, Shakeel; Jabbar, Abdul; Hussain, Muhammad Tahir; Tahir, M. Nawaz","2-Chlorobenzohydrazide","Acta Crystallographica Section E","2012","68","4","o1254","","10.1107/S1600536812012640","","","0.71073","MoKα","","0.1176","0.0832","","","0.2002","0.2165","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234161","10.6806","0.0002","12.5869","0.0003","14.2736","0.0003","90","","93.094","0.001","90","","1916.08","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C22 H24 O3 S -","- C22 H24 O3 S -","- C88 H96 O12 S4 -","4","1","FB2242","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o1068","","10.1107/S1600536812010434","","","0.71073","MoKα","","0.0537","0.042","","","0.1091","0.1179","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234162","19.4659","0.0003","8.27808","0.0001","15.8244","0.0002","90","","110.69","","90","","2385.49","0.06","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,8-Bis(3,5-dimethylbenzoyl)-2,7-dimethoxynaphthalene","(3,5-Dimethylphenyl)[8-(3,5-dimethylbenzoyl)- 2,7-dimethoxynaphthalen-1-yl]methanone","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","FB2243","Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","(3,5-Dimethylphenyl)[8-(3,5-dimethylbenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone","Acta Crystallographica Section E","2012","68","4","o1200","","10.1107/S1600536812012202","","","1.54187","CuKα","","0.0419","0.0384","","","0.1142","0.1176","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234163","7.164","0.001","7.715","0.001","10.446","0.002","88.23","0.01","89.18","0.01","89.68","0.01","577.01","0.16","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Bromo-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","","- C13 H11 Br N2 O2 -","- C13 H11 Br N2 O2 -","- C26 H22 Br2 N4 O4 -","2","1","FF2058","Xu, Yun-Hua; Long, Sihui","<i>N</i>-(3-Bromo-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","Acta Crystallographica Section E","2012","68","4","o1134","","10.1107/S1600536812011294","","","0.71073","MoKα","","0.0426","0.0313","","","0.0681","0.072","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234164","9.979","0.002","13.462","0.003","13.9","0.005","90","","128.781","0.019","90","","1455.6","0.8","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(pyridine-κ<i>N</i>)[2-(pyridinium-1-yl)acetato-κ<i>O</i>]zinc(II)","","- C12 H12 Cl2 N2 O2 Zn -","- C12 H12 Cl2 N2 O2 Zn -","- C48 H48 Cl8 N8 O8 Zn4 -","4","1","FF2059","Qun, Zhang; Jin-Xiang, Chen","Dichlorido(pyridine-κ<i>N</i>)[2-(pyridinium-1-yl)acetato-κ<i>O</i>]zinc(II)","Acta Crystallographica Section E","2012","68","4","m485","","10.1107/S1600536812011749","","","0.71073","MoKα","","0.0839","0.0725","","","0.2233","0.2334","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234165","20.853","0.007","10.013","0.004","13.893","0.005","90","","94.915","0.006","90","","2890.2","1.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-<i>tert</i>-Butylbenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","2","FJ2505","Wang, Hong-Sheng; Li, Gong-Chun","1-(4-<i>tert</i>-Butylbenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","4","o1047","","10.1107/S1600536812008999","","","0.71073","MoKα","","0.1219","0.0634","","","0.1658","0.2069","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234166","9.1658","0.0001","19.3999","0.0004","12.2762","0.0002","90","","97.891","0.001","90","","2162.23","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dimethyl <i>DL</i>-2,3-dibenzyl-2,3-diisothiocyanatosuccinate","Dimethyl 2,3-dibenzyl-2,3-diisothiocyanatobutanedioate","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C88 H80 N8 O16 S8 -","4","1","FJ2516","Kalinowska-Tłuścik, Justyna; Cież, Dariusz; Peyrat, Sandrine","Dimethyl <small>DL</small>-2,3-dibenzyl-2,3-diisothiocyanatosuccinate","Acta Crystallographica Section E","2012","68","4","o1025","","10.1107/S1600536812009294","","","0.7107","MoKα","","0.0482","0.0368","","","","0.0903","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234167","9.1163","0.0004","10.9161","0.0005","11.2959","0.0005","77.259","0.002","77.364","0.002","88.562","0.002","1069.55","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate","","- C21 H25 N3 O6 S -","- C21 H25 N3 O6 S -","- C42 H50 N6 O12 S2 -","2","1","FJ2520","Abbassi, Najat; Oulemda, Bassou; Rakib, El Mostapha; Geffken, Detlef; Zouihri, Hafid","Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate","Acta Crystallographica Section E","2012","68","4","o931","","10.1107/S1600536812007519","","","0.71073","MoKα","","0.0335","0.0304","","","0.0821","0.0841","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234168","7.9772","0.0007","21.446","0.002","10.3928","0.0007","90","","119.479","0.005","90","","1547.8","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Bromo-<i>N</i>'-(4-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","FJ2521","Horkaew, Jirapa; Chantrapromma, Suchada; Anantapong, Teerasak; Kanjana-Opas, Akkharawit; Fun, Hoong-Kun","(<i>E</i>)-4-Bromo-<i>N</i>'-(4-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","4","o1069","o1070","10.1107/S160053681201032X","","","0.71073","MoKα","","0.031","0.0248","","","0.0626","0.0651","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234169","12.4226","0.0002","13.4414","0.0002","19.2137","0.0003","90","","90","","90","","3208.25","0.09","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate","","- C15 H17 F6 Fe N2 P -","- C15 H17 F6 Fe N2 P -","- C120 H136 F48 Fe8 N16 P8 -","8","1","FJ2522","Nyamori, Vincent O.; Zulu, Siphesihle M.; Omondi, Bernard","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate","Acta Crystallographica Section E","2012","68","4","m353","","10.1107/S1600536812008719","","","0.71073","MoKα","","0.0263","0.024","","","0.0621","0.0644","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234170","19.7862","0.0013","5.2801","0.0004","16.9943","0.0011","90","","100.427","0.006","90","","1746.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetramethyl <i>N</i>,<i>N</i>'-(2,2,3,3,4,4-hexafluoro-1,5-dioxopentane- 1,5-diyl)bis(phosphoramidate)","","- C9 H14 F6 N2 O8 P2 -","- C9 H14 F6 N2 O8 P2 -","- C36 H56 F24 N8 O32 P8 -","4","0.5","FJ2523","Trush, Victor A.; Gubina, Kateryna E.; Gumeniuk, Yaroslav O.; Sliva, Tetyana Yu.; Konovalova, Irina S.","Tetramethyl <i>N</i>,<i>N</i>'-(2,2,3,3,4,4-hexafluoro-1,5-dioxopentane-1,5-diyl)bis(phosphoramidate)","Acta Crystallographica Section E","2012","68","4","o1127","","10.1107/S1600536812011191","","","0.71073","MoKα","","0.059","0.0369","","","0.0965","0.1057","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234171","14.571","0.003","12.58","0.002","9.258","0.002","90","","94.51","0.02","90","","1691.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Disodium tris(dioxidomolybdenum) bis(diarsenate)","","- As4 Mo3 Na2 O20 -","- As4 Mo3 Na2 O20.001 -","- As16 Mo12 Na8 O80.004 -","4","1","FJ2524","Jouini, Raja; Zid, Mohamed Faouzi; Driss, Ahmed","Disodium tris(dioxidomolybdenum) bis(diarsenate)","Acta Crystallographica Section E","2012","68","4","i24","","10.1107/S1600536812010069","","","0.71073","MoKα","","0.035","0.0252","","","0.0566","0.0596","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234172","9.3605","0.0007","20.6796","0.0015","18.136","0.0015","90","","104.955","0.001","90","","3391.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,6-Bis(diphenylphosphanyl)-2,8-dimethylphenoxathiin dichloromethane monosolvate","","- C39 H32 Cl2 O P2 S -","- C39 H32 Cl2 O P2 S -","- C156 H128 Cl8 O4 P8 S4 -","4","1","FJ2525","Marimuthu, Thashree; Friedrich, Holger B.; Bala, Muhammad D.","4,6-Bis(diphenylphosphanyl)-2,8-dimethylphenoxathiin dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","4","o1040","","10.1107/S1600536812009920","","","0.71073","MoKα","","0.0479","0.0361","","","0.0937","0.0997","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234173","5.626","0.0011","8.2749","0.0017","21.593","0.004","90","","91.9","0.03","90","","1004.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium imidazolium dichromate","","- C3 H9 Cr2 N3 O7 -","- C3 H9 Cr2 N3 O7 -","- C12 H36 Cr8 N12 O28 -","4","1","FJ2526","Zhu, Run-Qiang","Ammonium imidazolium dichromate","Acta Crystallographica Section E","2012","68","4","m389","","10.1107/S1600536812009506","","","0.71073","MoKα","","0.0471","0.0365","","","0.0804","0.0848","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234174","12.4143","0.0009","6.7141","0.0005","16.0031","0.001","90","","98.658","0.004","90","","1318.67","0.16","446","2","446","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(3-Methoxybenzylidene)chroman-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","FJ2528","Gopaul, Kaalin; Shaikh, Mahidansha; Ramjugernath, Deresh; Koorbanally, Neil A.; Omondi, Bernard","3-(3-Methoxybenzylidene)chroman-4-one","Acta Crystallographica Section E","2012","68","4","o1006","","10.1107/S160053681200949X","","","0.71073","MoKα","","0.0642","0.0412","","","0.1013","0.1122","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234175","7.0236","0.0005","12.0644","0.001","32.475","0.002","90","","90","","90","","2751.8","0.3","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4β-Hydroxy-12,13-epoxytrichothec-9-ene","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","FJ2530","Mao, Bi-Zeng; Huang, Chao; Chen, Yu-Zhe; Lv, Zhen-Er; Chen, Shao-Yuan","4β-Hydroxy-12,13-epoxytrichothec-9-ene","Acta Crystallographica Section E","2012","68","4","o1195","","10.1107/S1600536812012408","","","0.71073","MoKα","","0.1007","0.074","","","0.2011","0.2218","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234176","14.845","0.0006","8.098","0.0004","27.391","0.0011","90","","90","","90","","3292.8","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Cyclododecylidenepyridine-4-carbohydrazide","","- C18 H27 N3 O -","- C18 H27 N3 O -","- C144 H216 N24 O8 -","8","1","FJ2532","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","<i>N</i>'-Cyclododecylidenepyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","4","o1205","","10.1107/S1600536812011774","","","1.5418","CuKα","","","0.0395","","","","0.1112","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234177","17.5552","0.0015","6.9773","0.0006","19.6654","0.0017","90","","99.206","0.002","90","","2377.7","0.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(azido-κ<i>N</i>)(di-2-pyridylamine- κ^2^<i>N</i>^2^,<i>N</i>^2^')palladium(II)","","- C10 H9 N9 Pd -","- C10 H9 N9 Pd -","- C80 H72 N72 Pd8 -","8","1","FJ2539","Ha, Kwang","Bis(azido-κ<i>N</i>)(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II)","Acta Crystallographica Section E","2012","68","4","m519","","10.1107/S1600536812013074","","","0.71073","MoKα","","0.0424","0.0286","","","0.0652","0.0728","","","","","","1.057","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234178","7.7991","0.0012","13.95","0.002","18.053","0.003","90","","90","","90","","1964.1","0.5","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diisopropyl {[(<i>R</i>)-2-(2-Amino-6-chloro-9<i>H</i>-purin-9-yl)- 1-methylethoxy]methyl}phosphonate","","- C15 H25 Cl N5 O4 P -","- C15 H25 Cl N5 O4 P -","- C60 H100 Cl4 N20 O16 P4 -","4","1","FK2051","Zhao, Guobao; He, Xinhua; Zhong, Bohua","Diisopropyl {[(<i>R</i>)-2-(2-amino-6-chloro-9<i>H</i>-purin-9-yl)-1-methylethoxy]methyl}phosphonate","Acta Crystallographica Section E","2012","68","4","o936","","10.1107/S1600536812006757","","","0.7107","MoKα","","0.0298","0.0282","","","0.0655","0.0662","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234179","9.6528","0.0017","11.535","0.002","12.875","0.002","65.211","0.003","72.095","0.004","72.757","0.004","1214.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[tris(4- chlorophenyl)phosphane-κ<i>P</i>]rhodium(I)","","- C24 H19 Cl3 O3 P Rh -","- C24 H19 Cl3 O3 P Rh -","- C48 H38 Cl6 O6 P2 Rh2 -","2","1","FK2054","Antonels, Nathan C.; Meijboom, Reinout","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[tris(4-chlorophenyl)phosphane-κ<i>P</i>]rhodium(I)","Acta Crystallographica Section E","2012","68","4","m509","","10.1107/S1600536812012536","","","0.71073","MoKα","","0.0329","0.0271","","","","0.0629","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234180","6.3531","0.0005","11.0617","0.001","12.1576","0.0011","62.995","0.002","76.446","0.002","75.487","0.002","729.71","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-Nitro-2-[(tricyclo[3.3.1.1^3,7^]decan-1-yliminiumyl)methyl]phenolate","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","FK2057","Ha, Kwang","4-Nitro-2-{[(tricyclo[3.3.1.1^3,7^]decan-1-yl)iminiumyl]methyl}phenolate","Acta Crystallographica Section E","2012","68","4","o1221","","10.1107/S1600536812012597","","","0.71073","MoKα","","0.1158","0.0525","","","0.1134","0.146","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234181","6.5184","0.0009","8.8273","0.0012","10.6017","0.0014","97.076","0.002","97.074","0.002","93.127","0.002","599.26","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,1':4',1''-Terphenyl-2',5'-dicarboxylic acid dimethyl sulfoxide-<i>d</i>~6~ disolvate","","- C24 H14 D12 O6 S2 -","- C24 H14 D12 O6 S2 -","- C24 H14 D12 O6 S2 -","1","0.5","FY2045","Pop, Lucian C.; Preite, Marcelo; Manriquez, Juan Manuel; Vega, Andrés; Chavez, Ivonne","1,1':4',1''-Terphenyl-2',5'-dicarboxylic acid dimethyl sulfoxide-<i>d</i>~6~ disolvate","Acta Crystallographica Section E","2012","68","4","o1192","","10.1107/S1600536812012056","","","0.71073","MoKα","","0.059","0.0491","","","0.1357","0.1451","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234182","7.5582","0.0019","8.024","0.002","13.336","0.004","88.648","0.008","87.42","0.007","74.341","0.004","777.9","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","","- C17 H14 O5 S -","- C17 H14 O5 S -","- C34 H28 O10 S2 -","2","1","FY2046","Yang, Jian-Xin; Liu, Hong-Yan; Wang, Xiang-Hui","4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o1191","","10.1107/S1600536812012238","","","0.71073","MoKα","","0.0582","0.0419","","","0.0927","0.0992","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234183","10.357","0.005","12.787","0.005","12.925","0.005","81.605","0.005","75.561","0.005","68.489","0.005","1539.4","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato- κ^2^<i>O</i>:<i>O</i>'}bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)](<i>Cu</i>—<i>Cu</i>)","","- C60 H52 Cl8 Cu2 N4 O10 S2 -","- C60 H52 Cl8 Cu2 N4 O10 S2 -","- C60 H52 Cl8 Cu2 N4 O10 S2 -","1","0.5","GG2076","Sayen, Stéphanie; Guillon, Emmanuel","Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato-κ^2^<i>O</i>:<i>O</i>'}bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)](<i>Cu</i>—<i>Cu</i>): a binuclear Cu^II^ complex with the non-steroidal anti-inflammatory drug diclofenac","Acta Crystallographica Section E","2012","68","4","m474","m475","10.1107/S160053681201152X","","","0.71073","MoKα","","0.0418","0.0308","","","0.0712","0.0785","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234184","19.3334","0.0019","12.1156","0.0012","20.644","0.002","90","","90","","90","","4835.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl- 5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate","","- C23 H27 Cl N6 O3 -","- C23 H27 Cl N6 O3 -","- C184 H216 Cl8 N48 O24 -","8","1","GG2077","Sun, Chuan-Wen; Chen, Yan-Xia; Liu, Tian-Yan","2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1146","","10.1107/S1600536812011750","","","0.71073","MoKα","","0.0706","0.0478","","","0.124","0.1353","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234185","9.7304","0.0003","11.3834","0.0004","11.8197","0.0004","114.308","0.003","101.957","0.003","90.127","0.003","1161.62","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Dimethyl-4-[(<i>E</i>)-2-(3,6,7-tribromo-9-butyl-9<i>H</i>- carbazol-2-yl)ethenyl]aniline","","- C26 H25 Br3 N2 -","- C26 H25 Br3 N2 -","- C52 H50 Br6 N4 -","2","1","GG2078","Kumar, Sushil; Thomas, K. R. Justin; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>,<i>N</i>-Dimethyl-4-[(<i>E</i>)-2-(3,6,7-tribromo-9-butyl-9<i>H</i>-carbazol-2-yl)ethenyl]aniline","Acta Crystallographica Section E","2012","68","4","o1121","","10.1107/S1600536812011336","","","1.54184","CuKα","","0.0326","0.0318","","","0.0914","0.0923","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234186","6.48","0.002","7.141","0.002","29.674","0.011","90","","90","","90","","1373.1","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-Benzylideneadamantan-1-amine","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","GK2442","Jin, Xu-Dong; Yin, Xue-Yue; Wang, Hai-Bo; Chang, Xiao-Hong; Jin, Yue-Hong","(<i>E</i>)-<i>N</i>-Benzylideneadamantan-1-amine","Acta Crystallographica Section E","2012","68","4","o1130","","10.1107/S1600536812011415","","","0.71073","MoKα","","0.0759","0.0495","","","0.123","0.1399","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234187","9.6722","0.0003","11.9968","0.0004","15.4784","0.0006","82.802","0.002","79.232","0.001","89.653","0.002","1750.24","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[4-(4-Methylbenzenesulfonamido)phenylsulfonyl]acetamide","","- C15 H16 N2 O5 S2 -","- C15 H16 N2 O5 S2 -","- C60 H64 N8 O20 S8 -","4","2","GK2456","Hayat, Khizar; Asghar, Muhammad Nadeem; Tahir, M. Nawaz; Shafiq, Muhammad; Ahmad, Dildar","A triclinic polymorph of <i>N</i>-[4-(4-methylbenzenesulfonamido)phenylsulfonyl]acetamide","Acta Crystallographica Section E","2012","68","4","o983","o984","10.1107/S1600536812008616","","","0.71073","MoKα","","0.0859","0.0531","","","0.1324","0.1533","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234188","3.8317","0.0001","14.1366","0.0003","7.0773","0.0002","90","","96.814","0.002","90","","380.65","0.017","294","0.1","294","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)di-μ~2~- chlorido-mercury(II)]","","- C4 H5 Cl2 Hg N3 -","- C4 H5 Cl2 Hg N3 -","- C8 H10 Cl4 Hg2 N6 -","2","0.5","GK2458","Eshtiagh-Hosseini, Hossein; Yousefi, Zakieh; Janiak, Agnieszka","Poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)di-μ~2~-chlorido-mercury(II)]","Acta Crystallographica Section E","2012","68","4","m385","m386","10.1107/S1600536812008793","","","0.71073","MoKα","","0.0237","0.0195","","","0.0474","0.0493","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234189","6.3356","0.0002","16.3222","0.0005","22.0471","0.0007","90","","90","","90","","2279.91","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1,3-benzothiazole","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C112 H72 N8 O16 S8 -","8","1","GK2459","Lakshmanan, D.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","2-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","4","o961","","10.1107/S1600536812008914","","","0.71073","MoKα","","0.0612","0.0391","","","0.0933","0.1053","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234190","16.6086","0.0004","8.8344","0.0002","13.033","0.0003","90","","104.064","0.001","90","","1854.97","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C22 H24 O2 S -","- C22 H24 O2 S -","- C88 H96 O8 S4 -","4","1","GK2461","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o947","","10.1107/S1600536812008409","","","0.71073","MoKα","","0.0528","0.0439","","","0.1206","0.1275","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234191","14.4471","0.0003","14.4471","0.0003","15.8181","0.0003","90","","90","","90","","3301.53","0.12","294","2","294","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Dichloridotetrakis(1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","","- C8 H12 Cl2 Cu N12 -","- C8 H12 Cl2 Cu N12 -","- C64 H96 Cl16 Cu8 N96 -","8","0.25","GK2463","Vidmar, Maja; Kobal, Tatjana; Kozlevčar, Bojan; Šegedin, Primož; Golobič, Amalija","Dichloridotetrakis(1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section E","2012","68","4","m375","m376","10.1107/S1600536812008872","","","0.71073","MoKα","","0.034","0.0247","","","0.0626","0.0667","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234192","13.868","0.007","16.158","0.008","9.348","0.005","90","","105.947","0.009","90","","2014.1","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorido(3,5-dinitro-2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III)","","- C19 H12 Cl Cr N4 O8 -","- C19 H12 Cl Cr N4 O8 -","- C76 H48 Cl4 Cr4 N16 O32 -","4","1","GK2465","Meng, Zhao-Hui; Lian, Hui; Zhang, Shu-Shen; Feng, Yu-Quan","Aquachlorido(3,5-dinitro-2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III)","Acta Crystallographica Section E","2012","68","4","m388","","10.1107/S1600536812009324","","","0.71073","MoKα","","0.107","0.0577","","","0.1342","0.1609","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234193","16.946","0.008","5.449","0.003","17.306","0.011","90","","119.96","0.02","90","","1384.5","1.4","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,3-Benzothiazol-2-yl)-3-phenyl-2-pyrazoline","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","GK2466","Li, Dong-Feng; Zhu, Xiao-Fei; Guan, Shuang; Hou, Rui-Bin","1-(1,3-Benzothiazol-2-yl)-3-phenyl-2-pyrazoline","Acta Crystallographica Section E","2012","68","4","o1248","","10.1107/S1600536812013219","","","0.71073","MoKα","","0.057","0.0387","","","0.108","0.1159","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234194","6.434","0.0006","6.434","0.0006","25.474","0.002","90","","90","","120","","913.25","0.14","173","2","173","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Bis(adamantan-1-aminium) carbonate","","- C21 H36 N2 O3 -","- C21 H36 N2 O3 -","- C42 H72 N4 O6 -","2","0.166667","GK2467","Nowakowska, Monika; Gamble, Caryn; Levendis, Demetrius C.","Bis(adamantan-1-aminium) carbonate","Acta Crystallographica Section E","2012","68","4","o1159","","10.1107/S1600536812011828","","","0.71069","MoKα","","0.0543","0.042","","","0.1013","0.1072","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234195","10.1623","0.0019","13.292","0.003","6.6488","0.0013","90","","98.486","0.003","90","","888.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-(4-Methoxyphenyl)but-3-en-2-one","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","GK2469","Sambyal, Ambika; Kour, Manpreet; Anthal, Sumati; Bamzai, R. K.; Kant, Rajni; Gupta, Vivek K.","(<i>E</i>)-4-(4-Methoxyphenyl)but-3-en-2-one","Acta Crystallographica Section E","2012","68","4","o1183","","10.1107/S1600536812012214","","","0.71073","MoKα","","0.0682","0.0625","","","0.1402","0.1496","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234196","28.398","0.0014","4.1768","0.0002","20.2635","0.0011","90","","122.651","0.002","90","","2023.69","0.18","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-Acetyl-1-(3-chlorophenyl)thiourea","","- C9 H9 Cl N2 O S -","- C9 H9 Cl N2 O S -","- C72 H72 Cl8 N16 O8 S8 -","8","1","GK2470","Shahwar, Durre; Tahir, M. Nawaz; Chohan, Muhammad Mansha; Ahmad, Naeem; Raza, M. Asam","3-Acetyl-1-(3-chlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1189","","10.1107/S1600536812012147","","","0.71073","MoKα","","0.0446","0.034","","","0.099","0.1085","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234197","5.8692","0.0005","5.8692","0.0005","50.637","0.005","90","","90","","90","","1744.3","0.3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","1,3-Bis(1-phenylethyl)imidazolidine-2-thione","","- C19 H22 N2 S -","- C19 H22 N2 S -","- C76 H88 N8 S4 -","4","0.5","GK2471","Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Khan, Imran","1,3-Bis(1-phenylethyl)imidazolidine-2-thione","Acta Crystallographica Section E","2012","68","4","o1188","","10.1107/S160053681201224X","","","0.71073","MoKα","","0.106","0.0698","","","0.1534","0.1704","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234198","10.8924","0.0006","16.774","0.0009","10.9631","0.0006","90","","102.254","0.001","90","","1957.42","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~4~-benzene-1,3,5-tricarboxylato)bis(<i>N</i>,<i>N</i>- dimethylacetamide)terbium(III)]","","- C17 H21 N2 O8 Tb -","- C17 H21 N2 O8 Tb -","- C68 H84 N8 O32 Tb4 -","4","1","GO2045","Liu, Kun","Poly[(μ~4~-benzene-1,3,5-tricarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)terbium(III)]","Acta Crystallographica Section E","2012","68","4","m415","","10.1107/S1600536812010264","","","0.71073","MoKα","","0.0565","0.0336","","","0.062","0.0656","","","","","","0.894","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234199","7.2745","0.0015","9.0962","0.0018","9.4502","0.0019","61.53","0.03","71.18","0.03","82.41","0.03","520.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium nitrate","","- C8 H6 F3 N3 O3 -","- C8 H6 F3 N3 O3 -","- C16 H12 F6 N6 O6 -","2","1","GO2046","Liu, Ming-Liang","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium nitrate","Acta Crystallographica Section E","2012","68","4","o1012","","10.1107/S1600536812009415","","","0.71073","MoKα","","0.1435","0.0716","","","0.188","0.2273","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234200","8.7897","0.0018","10.947","0.002","11.458","0.002","92.48","0.03","96.59","0.03","113.34","0.03","1000.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium tetrafluoroborate‒2-trifluoromethyl-1<i>H</i>-benzimidazole‒water (1/1/1)","","- C16 H13 B F10 N4 O -","- C16 H13 B F10 N4 O -","- C32 H26 B2 F20 N8 O2 -","2","1","GO2047","Liu, Ming-Liang","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium tetrafluoroborate‒2-trifluoromethyl-1<i>H</i>-benzimidazole‒water (1/1/1)","Acta Crystallographica Section E","2012","68","4","o1076","","10.1107/S1600536812010847","","","0.71073","MoKα","","0.1329","0.0656","","","0.1613","0.195","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234201","11.189","0.004","11.571","0.004","16.921","0.006","86.122","0.009","83.605","0.009","84.094","0.01","2162","1.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Tetrakis[<i>N</i>-(adamantan-1-yl)pyridine-4- carboxamide]dichloridomanganese(II)‒<i>N</i>-(adamantan-1-yl)pyridine- 4-carboxamide (1/2)","","- C96 H120 Cl2 Mn N12 O6 -","- C96 H120 Cl2 Mn N12 O6 -","- C96 H120 Cl2 Mn N12 O6 -","1","0.5","GW2114","Wang, Ying-Chun","<i>trans</i>-Tetrakis[<i>N</i>-(adamantan-1-yl)pyridine-4-carboxamide]dichloridomanganese(II)‒<i>N</i>-(adamantan-1-yl)pyridine-4-carboxamide (1/2)","Acta Crystallographica Section E","2012","68","4","m408","","10.1107/S1600536812010124","","","0.71073","MoKα","","0.1279","0.0775","","","0.1418","0.1643","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234202","17.921","0.007","18.427","0.007","27.114","0.01","90","","90","","90","","8954","6","296","2","296","2","","","","","","","","6","I b c a","-I 2b 2c","73","","7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C25 H25 F N4 O S -","- C25 H25 F N4 O S -","- C400 H400 F16 N64 O16 S16 -","16","1","GW2115","Hu, Hai-Jun; Chen, Hong","7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1097","","10.1107/S1600536812010318","","","0.71073","MoKα","","0.0841","0.0693","","","0.181","0.1936","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234203","6.251","0.004","6.179","0.003","10.259","0.006","90","","107.72","0.02","90","","377.5","0.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","(D-penicillaminato)lead(II)","<i>catena</i>-poly[(μ-2-amino-3-methyl-3-sulfidobutanoato)lead(II)]","","- C5 H9 N O2 Pb S -","- C5 H9 N O2 Pb S -","- C10 H18 N2 O4 Pb2 S2 -","2","1","HB6608","Schell, Adam C.; Parvez, Masood; Jalilehvand, Farideh","Redetermination of (<small>D</small>-penicillaminato)lead(II)","Acta Crystallographica Section E","2012","68","4","m489","m490","10.1107/S1600536812011877","","","0.71073","MoKα","","0.0363","0.0323","","","0.0816","0.0846","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234204","8.1565","0.0016","12.554","0.003","18.411","0.004","90","","101.08","0.03","90","","1850.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(dichloridozinc)-μ-4,4'-bis(1<i>H</i>- imidazol-1-yl)biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^] 0.25-hydrate]","","- C18 H14.5 Cl2 N4 O0.25 Zn -","- C18 H14.5 Cl2 N4 O0.25 Zn -","- C72 H58 Cl8 N16 O Zn4 -","4","1","HB6628","Ning, Yong-Xia; Fan, Wen; Xie, Gang","<i>catena</i>-Poly[[(dichloridozinc)-μ-4,4'-bis(1<i>H</i>-imidazol-1-yl)biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^] 0.25-hydrate]","Acta Crystallographica Section E","2012","68","4","m406","","10.1107/S1600536812009543","","","0.71073","MoKα","","0.0738","0.0519","","","0.0864","0.0923","","","","","","1.161","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234205","13.9632","0.0006","10.9908","0.0005","11.8465","0.0005","90","","90","","90","","1818.04","0.14","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl 2,6-dimethyl-4-(3-phenyl-1<i>H</i>-pyrazol-4-yl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C80 H84 N12 O16 -","4","1","HB6648","Fun, Hoong-Kun; Arshad, Suhana; Malladi, Shridhar; Shivananda, Kammasandra Nanjunda; Isloor, Arun M.","Dimethyl 2,6-dimethyl-4-(3-phenyl-1<i>H</i>-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","4","o922","o923","10.1107/S1600536812008306","","","0.71073","MoKα","","0.0325","0.0297","","","0.0775","0.0796","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234206","4.628","0.0009","17.245","0.003","17.468","0.004","90","","94.04","0.03","90","","1390.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-N-[3-cyano-1-(3,4-dichlorophenyl)-1<i>H</i>-pyrazol-5-yl]acetamide","","- C12 H7 Cl3 N4 O -","- C12 H7 Cl3 N4 O -","- C48 H28 Cl12 N16 O4 -","4","1","HB6649","Li, Ming; Zhu, Jing; Wei, Hong-xia; Wang, Jian-qiang; Guo, Cheng","2-Chloro-<i>N</i>-[3-cyano-1-(3,4-dichlorophenyl)-1<i>H</i>-pyrazol-5-yl]acetamide","Acta Crystallographica Section E","2012","68","4","o1150","","10.1107/S1600536812008094","","","0.71073","MoKα","","0.0636","0.042","","","0.1236","0.1391","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234207","8.7203","0.0004","14.9342","0.0012","16.409","0.0008","115.598","0.003","104.638","0.002","92.358","0.003","1836.8","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate","","- C38 H54 Br2 N4 O -","- C38 H54 Br2 N4 O -","- C76 H108 Br4 N8 O2 -","2","1","HB6650","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Fun, Hoong-Kun; Arshad, Suhana","3,3'-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate","Acta Crystallographica Section E","2012","68","4","o924","o925","10.1107/S1600536812008331","","","0.71073","MoKα","","0.064","0.0523","","","0.1518","0.161","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234208","10.617","0.002","12.108","0.002","14.652","0.003","90","","95.07","0.03","90","","1876.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]- μ-hexafluoridosilicato-κ^2^<i>F</i>:<i>F</i>']","","- C12 H16 Cu F6 N8 Si -","- C12 H16 Cu F6 N8 Si -","- C48 H64 Cu4 F24 N32 Si4 -","4","0.5","HB6651","Li, Hui; Han, Qiuping; Chai, Xiaochuan; Wang, Jian; Yao, Chenzhong","<i>catena</i>-Poly[[tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]-μ-hexafluoridosilicato-κ^2^<i>F</i>:<i>F</i>']","Acta Crystallographica Section E","2012","68","4","m405","","10.1107/S1600536812009531","","","0.71073","MoKα","","0.0888","0.0585","","","0.0917","0.1006","","","","","","1.164","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234209","5.9426","0.0002","13.4688","0.0005","16.3275","0.0006","91.955","0.003","99.515","0.003","95.834","0.003","1280.47","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","6-[(2<i>E</i>)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2- methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one‒6-[(2<i>E</i>)-3,7- dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl- 2<i>H</i>-chromen-2-one (1/1)","","- C60 H68 O10 -","- C60 H68 O10 -","- C60 H68 O10 -","1","0.5","HB6652","Chan, Gomathi; Awang, Khalijah; Ismail, Nor Hadiani; Ng, Seik Weng; Tiekink, Edward R. T.","6-[(2<i>E</i>)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one‒6-[(2<i>E</i>)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one (1/1) from <i>Mesua elegans</i>","Acta Crystallographica Section E","2012","68","4","o939","o940","10.1107/S1600536812008628","","","1.54184","CuKα","","0.0733","0.0657","","","0.1971","0.2083","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234210","10.8081","0.0006","17.6741","0.0012","18.8074","0.0013","90","","101.292","0.005","90","","3523.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1<i>Z</i>,2<i>E</i>)-<i>N</i>'-{2-chloro-1-methyl-2-[2-(4- methylphenyl)hydrazin-1-ylidene]ethylidene}-4-methoxybenzohydrazide","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C144 H152 Cl8 N32 O16 -","8","2","HB6653","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","(1<i>Z</i>,2<i>E</i>)-<i>N</i>'-{2-Chloro-1-methyl-2-[2-(4-methylphenyl)hydrazin-1-ylidene]ethylidene}-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","4","o926","","10.1107/S1600536812008367","","","1.54178","CuKα","","0.0825","0.0498","","","0.1226","0.1367","","","","","","0.919","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234211","6.1219","0.0002","7.6519","0.0003","14.3504","0.0006","89.197","0.001","84.795","0.001","77.983","0.001","654.78","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-Bromo-<i>N</i>-(4-methoxy-2-nitrophenyl)benzamide","","- C14 H11 Br N2 O4 -","- C14 H11 Br N2 O4 -","- C28 H22 Br2 N4 O8 -","2","1","HB6654","Sripet, Weerawat; Chantrapromma, Suchada; Ruanwas, Pumsak; Fun, Hoong-Kun","4-Bromo-<i>N</i>-(4-methoxy-2-nitrophenyl)benzamide","Acta Crystallographica Section E","2012","68","4","o1234","","10.1107/S1600536812010963","","","0.71073","MoKα","","0.0271","0.0256","","","0.0783","0.0804","","","","","","1.122","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234212","7.8622","0.0001","8.9073","0.0001","11.0341","0.0001","113.687","0.001","103.419","0.001","95.653","0.001","672.175","0.015","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","<i>N</i>-(4-Chlorobutanoyl)-<i>N</i>'-[2-(trifluoromethyl)phenyl]thiourea","","- C12 H12 Cl F3 N2 O S -","- C12 H12 Cl F3 N2 O S -","- C24 H24 Cl2 F6 N4 O2 S2 -","2","1","HB6655","Yusof, Mohd Sukeri Mohd; Embong, Nur Farhana; Arshad, Suhana; Razak, Ibrahim Abdul","<i>N</i>-(4-Chlorobutanoyl)-<i>N</i>'-[2-(trifluoromethyl)phenyl]thiourea","Acta Crystallographica Section E","2012","68","4","o1029","","10.1107/S1600536812008859","","","0.71073","MoKα","","0.0353","0.0295","","","0.0735","0.0779","","","","","","0.973","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234213","10.054","0.002","16.401","0.003","12.233","0.003","90","","101.946","0.002","90","","1973.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[<i>N'</i>-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3- methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI)","","- C18 H20 Mo N2 O8 -","- C18 H20 Mo N2 O8 -","- C72 H80 Mo4 N8 O32 -","4","1","HB6656","Wang, Shou-Xing","[<i>N</i>'-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3-methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI)","Acta Crystallographica Section E","2012","68","4","m358","m359","10.1107/S1600536812008549","","","0.71073","MoKα","","0.0707","0.0435","","","0.083","0.0933","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234214","8.2314","0.0016","7.7466","0.0015","14.583","0.003","90","","94.16","0.03","90","","927.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diisopropylammonium nitrite","","- C6 H16 N2 O2 -","- C6 H16 N2 O2 -","- C24 H64 N8 O8 -","4","1","HB6657","Wang, Ying-Chun; Jie, Xu","Diisopropylammonium nitrite","Acta Crystallographica Section E","2012","68","4","o986","","10.1107/S1600536812008574","","","0.71073","MoKα","","0.1382","0.0843","","","0.245","0.2848","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234215","6.7918","0.0003","10.8822","0.0004","13.2576","0.0005","109.202","0.001","91.396","0.001","105.087","0.001","886.93","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol- 1-yl]butan-1-one","","- C20 H21 Cl N2 O2 -","- C20 H21 Cl N2 O2 -","- C40 H42 Cl2 N4 O4 -","2","1","HB6658","Fun, Hoong-Kun; Quah, Ching Kheng; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]butan-1-one","Acta Crystallographica Section E","2012","68","4","o975","","10.1107/S1600536812009105","","","0.71073","MoKα","","0.0414","0.0348","","","0.0973","0.1039","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234216","11.1189","0.0002","13.0541","0.0002","13.0852","0.0002","117.309","0.001","90.468","0.001","98.558","0.001","1662.48","0.05","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","4-[3-(Biphenyl-4-yl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-3-(4-\ methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazole dioxane monosolvate","","- C41 H38 N4 O3 -","- C41 H38 N4 O3 -","- C82 H76 N8 O6 -","2","1","HB6659","Fun, Hoong-Kun; Arshad, Suhana; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra Nanjunda","4-[3-(Biphenyl-4-yl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-3-(4-methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazole dioxane monosolvate","Acta Crystallographica Section E","2012","68","4","o972","o973","10.1107/S1600536812009117","","","0.71073","MoKα","","0.1101","0.0555","","","0.1051","0.1257","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234217","10.5179","0.0003","12.4857","0.0003","22.7237","0.0006","90","","90","","90","","2984.15","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate","","- C12 H14 N4 O4 S -","- C12 H14 N4 O4 S -","- C96 H112 N32 O32 S8 -","8","1","HB6660","Ghorab, Mostafa M.; Al-Said, Mansour S.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-Amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate","Acta Crystallographica Section E","2012","68","4","o1030","","10.1107/S1600536812009865","","","1.54178","CuKα","","0.0512","0.0445","","","0.1387","0.1442","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234218","11.1623","0.0002","19.7586","0.0003","26.4077","0.0004","90","","90","","90","","5824.26","0.16","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3β-Chloro-6-[2-(2-cyanoacetyl)hydrazin-1-ylidene]-5α-cholestane","","- C30 H48 Cl N3 O -","- C30 H48 Cl N3 O -","- C240 H384 Cl8 N24 O8 -","8","2","HB6661","Yusufzai, Samina Khan; Osman, Hasnah; Abdul Rahim, Aisyah Saad; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Chloro-6-[2-(2-cyanoacetyl)hydrazin-1-ylidene]-5α-cholestane","Acta Crystallographica Section E","2012","68","4","o1056","o1057","10.1107/S1600536812009336","","","0.71073","MoKα","","0.11","0.1035","","","0.2179","0.2214","","","","","","1.181","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234219","4.9387","0.0019","19.7","0.007","21.616","0.008","90","","90","","90","","2103.1","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(2-Carboxyethyl)amino]benzoic acid monohydrate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C80 H104 N8 O40 -","8","1","HB6663","Jia, Chunman; Chen, Shangwen; Yuan, Wenbing","4-[(2-Carboxyethyl)amino]benzoic acid monohydrate","Acta Crystallographica Section E","2012","68","4","o1098","","10.1107/S1600536812009518","","","0.71073","MoKα","","0.0669","0.0564","","","0.1569","0.1667","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234220","8.9683","0.0001","11.0323","0.0001","9.3314","0.0001","90","","102.363","0.001","90","","901.848","0.017","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-{[(4-fluorophenyl)sulfonyl]amino}phenyl 4-fluorobenzenesulfonate","4-(4-Fluorobenzenesulfonamido)phenyl 4-fluorobenzenesulfonate","","- C18 H13 F2 N O5 S2 -","- C18 H13 F2 N O5 S2 -","- C36 H26 F4 N2 O10 S4 -","2","0.5","HB6664","Al-Najjar, Belal O.; Tengku Muhammad, Tengku Sifzizul; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","4-(4-Fluorobenzenesulfonamido)phenyl 4-fluorobenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o1094","","10.1107/S1600536812009877","","","0.71073","MoKα","","0.0392","0.0355","","","0.0971","0.0998","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234221","4.891","0.009","6.363","0.013","14.61","0.03","83.54","0.11","82.37","0.11","73.64","0.09","431.1","1.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-chloro-5-nitrobenzamide","","- C7 H6 Cl N3 O3 -","- C7 H6 Cl N3 O3 -","- C14 H12 Cl2 N6 O6 -","2","1","HB6665","Wardell, James L.; Tiekink, Edward R. T.","2-Amino-3-chloro-5-nitrobenzamide","Acta Crystallographica Section E","2012","68","4","o991","","10.1107/S1600536812009142","","","0.71073","MoKα","","0.0965","0.0626","","","0.1512","0.1796","","","","","","0.951","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234222","12.6102","0.0012","7.3497","0.001","26.569","0.004","90","","90","","90","","2462.4","0.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-2-[(2<i>H</i>-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro- 1<i>H</i>-inden-1-one","","- C17 H12 O3 -","- C17 H12 O3 -","- C136 H96 O24 -","8","1","HB6667","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-[(2<i>H</i>-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","4","o1015","","10.1107/S1600536812009464","","","0.71073","MoKα","","0.1053","0.0553","","","0.109","0.1355","","","","","","0.982","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234223","7.831","0.0012","9.461","0.002","12.6947","0.0005","94.284","0.011","93.821","0.009","108.499","0.013","885.4","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","7-chloro-2-methylamino-5-phenyl-3<i>H</i>-1,4-benzodiazepine 4-oxide dichloromethane monosolvate","","- C17 H16 Cl3 N3 O -","- C17 H16 Cl3 N3 O -","- C34 H32 Cl6 N6 O2 -","2","1","HB6668","Fischer, Andreas","Chlordiazepoxide dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","4","o1011","","10.1107/S1600536812009695","","","0.71073","MoKα","","0.0598","0.04","","","0.0938","0.1037","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234224","7.5231","0.0006","11.2338","0.0006","8.5967","0.0006","90","","112.894","0.009","90","","669.3","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-[1-(Thiophen-3-yl)ethylidene]({2-[(<i>E</i>)-[1-(thiophen-3-yl)\ ethylidene]amino]ethyl})amine","<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-1-(thiophen-3-yl)ethylidene]ethane-1,2-diamine","","- C14 H16 N2 S2 -","- C14 H16 N2 S2 -","- C28 H32 N4 S4 -","2","0.5","HB6669","Asiri, Abdullah M.; Faidallah, Hassan M.; Khan, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-1-(thiophen-3-yl)ethylidene]ethane-1,2-diamine","Acta Crystallographica Section E","2012","68","4","o1026","","10.1107/S1600536812009798","","","0.71073","MoKα","","0.0484","0.0387","","","0.0985","0.105","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234225","9.7882","0.001","7.1199","0.0007","22.746","0.003","90","","93.171","0.011","90","","1582.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(thiophen-2-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C20 H13 N3 S -","- C19.996 H13 N3 S -","- C79.984 H52 N12 S4 -","4","1","HB6670","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Amino-1-(thiophen-2-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o1027","o1028","10.1107/S1600536812010033","","","0.71073","MoKα","","0.1148","0.0664","","","0.1341","0.1639","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234226","3.9361","0.0002","12.9239","0.0006","17.1019","0.0007","90","","100.197","0.004","90","","856.23","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-4-methylquinolin-2(1<i>H</i>)-one","","- C10 H8 Cl N O -","- C10 H8 Cl N O -","- C40 H32 Cl4 N4 O4 -","4","1","HB6671","Kassem, Mohamed G.; Ghabbour, Hazem A.; Abdel-Aziz, Hatem A.; Fun, Hoong-Kun; Ooi, Chin Wei","3-Chloro-4-methylquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1043","","10.1107/S1600536812009889","","","1.54178","CuKα","","0.043","0.0365","","","0.1017","0.1049","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234227","9.462","0.002","17.03","0.003","20.47","0.002","90","","96.575","0.002","90","","3276.8","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Fluoro-<i>N</i>'-[(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide","","- C19 H15 F N2 O2 -","- C19 H15 F N2 O2 -","- C152 H120 F8 N16 O16 -","8","2","HB6672","Li, He-Bing","2-Fluoro-<i>N</i>'-[(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1164","","10.1107/S1600536812011580","","","0.71073","MoKα","","0.1466","0.0637","","","0.1435","0.1877","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234228","13.5339","0.0012","10.4827","0.001","14.9303","0.0013","90","","111.975","0.003","90","","1964.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Methylphenyl)-3-phenyl-1<i>H</i>-pyrazol-5-yl 4-nitrobenzenesulfonate","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C88 H68 N12 O20 S4 -","4","1","HB6674","Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","1-(4-Methylphenyl)-3-phenyl-1<i>H</i>-pyrazol-5-yl 4-nitrobenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o1086","o1087","10.1107/S1600536812010598","","","0.71073","MoKα","","0.0796","0.0686","","","0.1698","0.1788","","","","","","1.191","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234229","19.12","0.009","19.12","0.009","15.421","0.003","90","","90","","90","","5638","4","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","{2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V)","","- C13 H17 N2 O3 V -","- C13 H17 N2 O3 V -","- C208 H272 N32 O48 V16 -","16","1","HB6676","Sun, Xin-Zhi","{2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V)","Acta Crystallographica Section E","2012","68","4","m476","","10.1107/S1600536812011592","","","0.71073","MoKα","","0.1798","0.0992","","","0.1699","0.2025","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234230","10.021","0.002","15.203","0.003","15.868","0.003","90","","100.54","0.03","90","","2376.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[Bis(4-fluorophenyl)methyl]-4-[2-(2-methylphenoxy)ethyl]piperazine","","- C26 H28 F2 N2 O -","- C26 H28 F2 N2 O -","- C104 H112 F8 N8 O4 -","4","1","HB6677","Dai, Zhao-Hui; Zhong, Yan; Wu, Bin","1-[Bis(4-fluorophenyl)methyl]-4-[2-(2-methylphenoxy)ethyl]piperazine","Acta Crystallographica Section E","2012","68","4","o1077","","10.1107/S1600536812010744","","","0.71073","MoKα","","0.1218","0.063","","","0.157","0.1914","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234231","5.4116","0.0001","25.5513","0.0008","9.8615","0.0003","90","","101.641","0.002","90","","1335.54","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>R</i>)-<i>tert</i>-Butyl <i>N</i>-[4-(<i>N</i>-benzyl-4-fluorobenzenesulfonamido)-3-hydroxy-1- phenylbutan-2-yl]carbamate","","- C28 H33 F N2 O5 S -","- C28 H33 F N2 O5 S -","- C56 H66 F2 N4 O10 S2 -","2","1","HB6679","Moreth, Marcele; de Souza, Marcus V.N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","(2<i>S</i>,3<i>R</i>)-<i>tert</i>-Butyl <i>N</i>-[4-(<i>N</i>-benzyl-4-fluorobenzenesulfonamido)-3-hydroxy-1-phenylbutan-2-yl]carbamate","Acta Crystallographica Section E","2012","68","4","o1138","o1139","10.1107/S1600536812011440","","","0.71073","MoKα","","0.0547","0.0424","","","0.0956","0.1027","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234232","10.2203","0.0008","9.8883","0.0007","9.1948","0.0008","90","","107.647","0.009","90","","885.51","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Sulfamoylphenyl)hydrazin-1-ium chloride","","- C6 H10 Cl N3 O2 S -","- C6 H10 Cl N3 O2 S -","- C24 H40 Cl4 N12 O8 S4 -","4","1","HB6680","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Sulfamoylphenyl)hydrazin-1-ium chloride","Acta Crystallographica Section E","2012","68","4","o1140","","10.1107/S1600536812011452","","","0.71073","MoKα","","0.0383","0.0314","","","0.0784","0.0841","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234233","12.0827","0.0006","7.7848","0.0003","27.6527","0.0016","90","","90","","90","","2601.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>Z</i>)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","HB6681","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","(4<i>Z</i>)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1154","","10.1107/S1600536812011579","","","0.71073","MoKα","","0.0684","0.0438","","","0.0934","0.1088","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234234","15.2631","0.0004","15.2631","","8.0571","0.0004","90","","90","","90","","1877","0.11","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","<i>N</i>-(4-Sulfamoylphenyl)acetamide","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C64 H80 N16 O24 S8 -","8","1","HB6682","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(4-Sulfamoylphenyl)acetamide","Acta Crystallographica Section E","2012","68","4","o1155","","10.1107/S1600536812011701","","","0.71073","MoKα","","0.0381","0.0318","","","0.0751","0.0791","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234235","8.723","0.002","8.921","0.002","11.5","0.003","70.925","0.004","69.94","0.004","77.273","0.004","788.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Amino-2-fluorophenoxy)-7-methoxyquinazolin-6-ol methanol monosolvate","","- C16 H16 F N3 O4 -","- C16 H16 F N3 O4 -","- C32 H32 F2 N6 O8 -","2","1","HB6683","Huang, Wei; Tan, Aimin","4-(4-Amino-2-fluorophenoxy)-7-methoxyquinazolin-6-ol methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1149","","10.1107/S1600536812011725","","","0.71073","MoKα","","0.1136","0.0846","","","0.1805","0.1925","","","","","","1.167","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234236","9.2343","0.0004","8.7162","0.0004","11.0798","0.0005","90","","108.197","0.002","90","","847.19","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6-Methylideneandrost-4-ene-3,17-dione","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","HB6686","Andrade, L. C. R.; de Almeida, M. J. M.; Fernandes Roleira, F. M.; Varela, C. L.; Tavares da Silva, E. J.","6-Methylideneandrost-4-ene-3,17-dione","Acta Crystallographica Section E","2012","68","4","o1263","","10.1107/S1600536812013207","","","0.71073","MoKα","","0.0671","0.0398","","","0.0891","0.1002","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234237","5.0444","0.0002","20.7019","0.0009","9.9464","0.0004","90","","95.116","0.002","90","","1034.55","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-1-(2-methylphenyl)thiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","HB6692","Shahwar, Durre; Tahir, M. Nawaz; Chohan, Muhammad Mansha; Ahmad, Naeem; Raza, M. Asam","3-Acetyl-1-(2-methylphenyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1160","","10.1107/S1600536812011658","","","0.71073","MoKα","","0.0468","0.0369","","","0.0848","0.0884","","","","","","1.171","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234238","16.0536","0.0013","4.8173","0.0004","20.6202","0.0015","90","","110.728","0.008","90","","1491.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[5-(Furan-2-yl)-3-trifluoromethyl-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide","","- C14 H10 F3 N3 O3 S -","- C14 H10 F3 N3 O3 S -","- C56 H40 F12 N12 O12 S4 -","4","1","HB6693","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-[5-(Furan-2-yl)-3-trifluoromethyl-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide","Acta Crystallographica Section E","2012","68","4","o1168","o1169","10.1107/S1600536812011920","","","0.71073","MoKα","","0.104","0.0691","","","0.1596","0.1888","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234239","8.6628","0.0002","6.3669","0.0001","28.9119","0.0006","90","","96.795","0.001","90","","1583.44","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-1-(4-methylphenylsulfonyl)naphtho[2,1-<i>b</i>]furan","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","HB6696","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-Methyl-1-(4-methylphenylsulfonyl)naphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2012","68","4","o1193","","10.1107/S1600536812012159","","","0.71073","MoKα","","0.0478","0.0402","","","0.1066","0.1128","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234240","8.4054","0.0001","11.3716","0.0001","23.5194","0.0002","90","","92.259","0.001","90","","2246.3","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7'-Phenyl-1',3',5',6',7',7a'-hexahydrodipiro[acenaphthene-1,5'- pyrrolo[1,2-<i>c</i>]thiazole-6',2''-indane]-2,1''(1<i>H</i>)-dione","","- C31 H23 N O2 S -","- C31 H23 N O2 S -","- C124 H92 N4 O8 S4 -","4","1","HB6700","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","7'-Phenyl-1',3',5',6',7',7a'-hexahydrodipiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',2''-indane]-2,1''(1<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","4","o1265","o1266","10.1107/S1600536812013293","","","0.71073","MoKα","","0.0718","0.0506","","","0.1129","0.1237","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234241","9.4041","0.0002","15.9593","0.0004","16.0721","0.0006","90","","96.534","0.003","90","","2396.48","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')(5,5,7,12,12,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate","","- C18 H41 Cl N4 Ni O7 -","- C18 H41 Cl N4 Ni O7 -","- C72 H164 Cl4 N16 Ni4 O28 -","4","0.5","HB6703","Roy, Tapashi G.; Palit, Debashis; Nath, Babul Chandra; Ng, Seik Weng; Tiekink, Edward R. T.","<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","4","m525","m526","10.1107/S1600536812013232","","","1.54184","CuKα","","0.0712","0.0668","","","0.1586","0.1616","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234242","8.1539","0.0016","8.9944","0.0018","10.084","0.002","87.97","0.03","81.29","0.03","63.15","0.03","651.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Cyclopentyl-<i>N</i>-(3-oxo-2,3-dihydro-1<i>H</i>-inden-1-yl)acetamide","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C32 H38 N2 O4 -","2","1","HG5169","Zhang, Tao; McCabe, Tom; Marzec, Bartosz; Frankish, Neil; Sheridan, Helen","<i>N</i>-Cyclopentyl-<i>N</i>-(3-oxo-2,3-dihydro-1<i>H</i>-inden-1-yl)acetamide","Acta Crystallographica Section E","2012","68","4","o958","","10.1107/S160053681200606X","","","0.71073","MoKα","","0.0426","0.0416","","","0.0988","0.0995","","","","","","1.131","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234243","19.878","0.0005","16.935","0.0005","18.806","0.0004","90","","102.916","0.001","90","","6170.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[tris(naphthalen- 1-yl)phosphane-κ<i>P</i>]rhodium(I) acetone hemisolvate","","- C37.5 H31 O3.5 P Rh -","- C37.5 H31 O3.5 P Rh -","- C300 H248 O28 P8 Rh8 -","8","2","HG5181","Ogutu, Hezron; Meijboom, Reinout","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[tris(naphthalen-1-yl)phosphane-κ<i>P</i>]rhodium(I) acetone hemisolvate","Acta Crystallographica Section E","2012","68","4","m394","","10.1107/S1600536812008148","","","1.54184","CuKα","","0.0295","0.0275","","","","0.0677","","","","","","1.075","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234244","11.339","0.0003","10.3896","0.0003","11.393","0.0003","90","","97.078","0.001","90","","1331.95","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(2,6-Dichloro-3-fluorophenyl)-3-phenylprop-2-en-1-one","","- C15 H9 Cl2 F O -","- C14.994 H9 Cl2 F O -","- C59.976 H36 Cl8 F4 O4 -","4","1","HG5184","Praveen, Aletti S.; Yathirajan, Hemmige S.; Narayana, Badiadka; Gerber, Thomas; Hosten, Eric; Betz, Richard","(2<i>E</i>)-1-(2,6-Dichloro-3-fluorophenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1085","","10.1107/S1600536812010574","","","0.71073","MoKα","","0.0535","0.043","","","0.1014","0.1109","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234245","23.0007","0.0008","6.6712","0.0002","13.5967","0.0005","90","","92.566","0.002","90","","2084.22","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[3,4-Dimethyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1<i>H</i>-pyrazol-4-yl]- 3,4-dimethyl-1-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-one","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","0.5","HG5185","Wardell, Solange M. S. V.; Howie, Alan H.; Tiekink, Edward R. T.; Wardell, James L.","4-[3,4-Dimethyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1<i>H</i>-pyrazol-4-yl]-3,4-dimethyl-1-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-one","Acta Crystallographica Section E","2012","68","4","o992","o993","10.1107/S1600536812009208","","","0.71073","MoKα","","0.0574","0.0415","","","0.1197","0.1359","","","","","","0.829","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234246","11.1823","0.0003","11.7503","0.0004","9.6443","0.0002","90","","113.998","0.002","90","","1157.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Diphenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","HG5186","Baddeley, Thomas C.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","1,3-Diphenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","Acta Crystallographica Section E","2012","68","4","o1016","o1017","10.1107/S1600536812009567","","","0.71073","MoKα","","0.0526","0.0475","","","0.1221","0.1274","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234247","21.3909","0.0013","3.8653","0.0002","12.4514","0.0008","90","","90","","90","","1029.51","0.11","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3,5-Dimethyl-1-(4-nitrophenyl)-1<i>H</i>-pyrazole","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","HG5187","Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","3,5-Dimethyl-1-(4-nitrophenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2012","68","4","o1018","","10.1107/S1600536812009579","","","0.71073","MoKα","","0.0398","0.0371","","","0.0976","0.1009","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234248","18.9264","0.0003","19.385","0.0005","26.0062","0.0007","81.799","0.002","87.108","0.002","64.007","0.002","8487.8","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Aqua(μ-cone-26,28-dibutoxy-25,27-bis{<i>N</i>-[5-(dimethylamino)naphthalene- 1-sulfonyl]carbamoylmethoxy}-5,11,17,23-tetrakis(1,1- dimethylethyl)calix[4]arene(2-))disodium acetonitrile tetrasolvate","","- C88 H112 N8 Na2 O11 S2 -","- C84 H106 N6 Na2 O11 S2 -","- C336 H424 N24 Na8 O44 S8 -","4","2","HG5188","Dinake, Pogisego; Prokhorova, Polina E.; Talanov, Vladimir S.; Butcher, Ray J.; Talanova, Galina G.","Aqua(μ-cone-26,28-dibutoxy-25,27-bis{<i>N</i>-[5-(dimethylamino)naphthalene-1-sulfonyl]carbamoylmethoxy}-5,11,17,23-tetrakis(1,1-dimethylethyl)calix[4]arene(2{-}))disodium acetonitrile tetrasolvate","Acta Crystallographica Section E","2012","68","4","m460","m461","10.1107/S1600536812010768","","","1.54178","CuKα","","0.0958","0.0802","","","0.2354","0.2526","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234249","10.4672","0.0012","20.17","0.002","10.9202","0.0013","90","","117.909","0.003","90","","2037.4","0.4","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Bis(adamantan-1-yl)-1-methoxybenzene","","- C27 H36 O -","- C27 H36 O -","- C108 H144 O4 -","4","1","HG5189","Li, Peng-Fei; Sun, Jian-Zi; Wang, Ling; Lv, Ya-Li; Liu, Li-Hong","3,5-Bis(adamantan-1-yl)-1-methoxybenzene","Acta Crystallographica Section E","2012","68","4","o1182","","10.1107/S1600536812011622","","","0.71073","MoKα","","0.0795","0.0585","","","0.1316","0.1428","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234250","21.9367","0.0009","19.009","0.0009","16.1742","0.0006","90","","90","","90","","6744.6","0.5","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","[<i>meso</i>-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II)","","- C36 H16 Br4 N4 Ni S4 -","- C36 H16 Br4 N4 Ni S4 -","- C288 H128 Br32 N32 Ni8 S32 -","8","","HG5191","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","[<i>meso</i>-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II)","Acta Crystallographica Section E","2012","68","4","m471","m472","10.1107/S1600536812011671","","","0.71073","MoKα","","0.0778","0.0556","","","0.1273","0.1397","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2234251","8.7498","0.0005","14.4343","0.0009","10.7225","0.0005","90","","96.749","0.005","90","","1344.84","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate","","- C11 H7 F3 N2 O4 S2 -","- C11 H7 F3 N2 O4 S2 -","- C44 H28 F12 N8 O16 S8 -","4","1","HG5192","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate","Acta Crystallographica Section E","2012","68","4","o1156","","10.1107/S1600536812011683","","","0.71073","MoKα","","0.098","0.0706","","","0.191","0.2153","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234252","11.093","0.0001","8.7946","0.0001","25.3692","0.0003","90","","98.435","0.001","90","","2448.21","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(perchlorate) monohydrate","","- C16 H40 Cl2 N4 O9 -","- C16 H40 Cl2 N4 O9 -","- C64 H160 Cl8 N16 O36 -","4","1","HG5197","Hazari, Saroj K. S.; Roy, Tapashi G.; Nath, Babul Chandra; Roy, Prashun G.; Ng, Seik Weng; Tiekink, Edward R. T.","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(perchlorate) monohydrate","Acta Crystallographica Section E","2012","68","4","o1179","","10.1107/S1600536812012135","","","1.54184","CuKα","","0.0396","0.0376","","","0.1031","0.1051","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234253","6.0585","0.0001","19.3774","0.0005","12.5769","0.0003","90","","103.2","0.002","90","","1437.49","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(<i>E</i>)-{[(Benzylsulfanyl)methanethioyl](methyl)amino}(thiophen-2- ylmethylidene)amine","Benzyl 2-methyl-3-[(<i>E</i>)-(thiophen-2-yl)methylidene]dithiocarbazate","","- C14 H14 N2 S3 -","- C14 H14 N2 S3 -","- C56 H56 N8 S12 -","4","1","HG5198","Hazari, Saroj K. S.; Dey, B. K.; Roy, Tapashi G.; Ganguly, B.; Ng, Seik Weng; Tiekink, Edward R. T.","Benzyl 2-methyl-3-[(<i>E</i>)-(thiophen-2-yl)methylidene]dithiocarbazate","Acta Crystallographica Section E","2012","68","4","o1216","","10.1107/S1600536812012652","","","1.54184","CuKα","","0.031","0.029","","","0.0782","0.0798","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234254","30.366","0.014","7.383","0.003","21.904","0.01","90","","130.311","0.008","90","","3745","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Isobutylphenyl)-<i>N</i>'-[(3<i>Z</i>)-2-oxoindolin-3- ylidene]propanohydrazide","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C168 H184 N24 O16 -","8","1","HG5199","Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Singh, Kuldip; Potgieter, Herman","2-(4-Isobutylphenyl)-<i>N</i>'-[(3<i>Z</i>)-2-oxoindolin-3-ylidene]propanohydrazide","Acta Crystallographica Section E","2012","68","4","o1222","o1223","10.1107/S160053681201269X","","","0.71073","MoKα","","0.1423","0.0666","","","0.1511","0.1816","","","","","","0.891","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234255","7.2514","0.0004","4.7113","0.0003","21.8591","0.0011","90","","103.394","0.002","90","","726.47","0.07","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","<i>catena</i>-Poly[[dichloridomercury(II)]-<i>N</i>'- nicotinoylnicotinohydrazide]","","- C12 H10 Cl2 Hg N4 O2 -","- C12 H10 Cl2 Hg N4 O2 -","- C24 H20 Cl4 Hg2 N8 O4 -","2","0.5","HP2029","Ma, Teng; Wang, Yuanlu; Wang, Fengliang; Li, Fei","<i>catena</i>-Poly[[dichloridomercury(II)]-<i>N</i>'-nicotinoylnicotinohydrazide]","Acta Crystallographica Section E","2012","68","4","m367","","10.1107/S1600536812008884","","","0.71073","MoKα","","0.0167","0.0156","","","0.0374","0.0378","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234256","14.78","0.0003","18.377","0.0003","13.6318","0.0003","90","","112.557","0.002","90","","3419.31","0.13","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-{[2-(Diphenylthiophosphoryl)ferrocenyl]methyl}dimethylammonium diphenyldithiophosphinate","","- C37 H37 Fe N P2 S3 -","- C37 H37 Fe N P2 S3 -","- C148 H148 Fe4 N4 P8 S12 -","4","1","HP2031","Mouas, Nardjes; Merazig, Hocine; Daran, Jean-Claude; Manoury, Eric","<i>rac</i>-{[2-(Diphenylthiophosphoryl)ferrocenyl]methyl}dimethylammonium diphenyldithiophosphinate","Acta Crystallographica Section E","2012","68","4","m381","m382","10.1107/S1600536812009129","","","0.71073","MoKα","","0.04","0.031","","","0.0728","0.0785","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234257","9.325","0.0005","17.041","0.001","10.888","0.0006","90","","111.229","0.001","90","","1612.77","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis[(2-bromophenyl)diphenylphosphane- κ<i>P</i>]carbonylchloridorhodium(I)","","- C37 H28 Br2 Cl O P2 Rh -","- C37 H28 Br2 Cl O P2 Rh -","- C74 H56 Br4 Cl2 O2 P4 Rh2 -","2","0.5","HP2033","Malan, Frederick P.; Malgas-Enus, Rehana; Meijboom, Reinout","<i>trans</i>-Bis[(2-bromophenyl)diphenylphosphane-κ<i>P</i>]carbonylchloridorhodium(I)","Acta Crystallographica Section E","2012","68","4","m510","","10.1107/S1600536812012421","","","0.71069","MoKα","","0.0349","0.0273","","","","0.0634","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234258","10.1761","0.0006","16.5092","0.0009","12.0372","0.0007","90","","103.844","0.001","90","","1963.5","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[octakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)octa-μ-oxido- tetraoxidodicopper(II)tetravanadate(V)]","","- C24 H32 Cu2 N16 O12 V4 -","- C24 H32 Cu2 N16 O12 V4 -","- C48 H64 Cu4 N32 O24 V8 -","2","0.5","HY2518","Chanthee, Songwuit; Saesong, Tongchai; Saphu, Watcharin; Chainok, Kittipong; Krachodnok, Samroeng","Poly[octakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)octa-μ-oxido-tetraoxidodicopper(II)tetravanadate(V)]","Acta Crystallographica Section E","2012","68","4","m362","m363","10.1107/S1600536812008252","","","0.71073","MoKα","","0.034","0.0278","","","0.0702","0.0727","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234259","14.1827","0.0015","14.3876","0.0016","28.787","0.002","90","","90","","90","","5874.1","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[μ-<i>N</i>-(3-methoxy-2-oxidobenzylidene-1:2κ^2^<i>O</i>^2^:<i>O</i>^2^)- L-isoleucinato-2κ^2^<i>N</i>,<i>O</i>]bis(1,10-phenanthroline- 1κ^2^<i>N</i>,<i>N</i>')dinickel(II) methanol tetrasolvate trihydrate","","- C56 H72 N6 Ni2 O15 -","- C56 H72 N6 Ni2 O15 -","- C224 H288 N24 Ni8 O60 -","4","1","HY2519","Li, Yan; Guo, Zhenghua; Dong, Jianfang; Li, Lianzhi","Bis[μ-<i>N</i>-(3-methoxy-2-oxidobenzylidene-1:2κ^2^<i>O</i>^2^:<i>O</i>^2^)-<small>L</small>-isoleucinato-2κ^2^<i>N</i>,<i>O</i>]bis(1,10-phenanthroline-1κ^2^<i>N</i>,<i>N</i>')dinickel(II) methanol tetrasolvate trihydrate","Acta Crystallographica Section E","2012","68","4","m371","m372","10.1107/S1600536812008987","","","0.71073","MoKα","","0.0865","0.054","","","0.1358","0.1573","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234260","9.5422","0.0003","9.5422","0.0003","9.9977","0.0005","90","","90","","120","","788.37","0.05","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cadmium hexafluoridogermanate","","- C6 H24 Cd F6 Ge N6 -","- C6 H24 Cd F6 Ge N6 -","- C12 H48 Cd2 F12 Ge2 N12 -","2","0.166667","HY2520","Wang, Guo-Ming; Li, Zeng-Xin; Wang, Pei","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cadmium hexafluoridogermanate","Acta Crystallographica Section E","2012","68","4","m396","m397","10.1107/S160053681200983X","","","0.71073","MoKα","","0.0284","0.0235","","","0.0372","0.0383","","","","","","1.16","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234261","8.6358","0.0017","9.5356","0.0019","16.885","0.003","90","","90","","90","","1390.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[tetraaquabis(μ~3~-oxalato- κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^:<i>O</i>^1'^,<i>O</i>^2'^)(μ~2~- oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dipraseodymium(III)]","","- C6 H8 O16 Pr2 -","- C6 H8 O16 Pr2 -","- C24 H32 O64 Pr8 -","4","1","HY2521","Hao, Cheng-Jun; Xie, Hui","Poly[tetraaquabis(μ~3~-oxalato-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^:<i>O</i>^1'^,<i>O</i>^2'^)(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dipraseodymium(III)]","Acta Crystallographica Section E","2012","68","4","m444","","10.1107/S1600536812011014","","","0.71073","MoKα","","0.0334","0.0285","","","0.0687","0.0715","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234262","12.9","0.002","14.004","0.003","13.44","0.003","90","","90","","90","","2428","0.8","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dibromido(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(II)","","- C10 H9 Br2 N3 Pt -","- C10 H9 Br2 N3 Pt -","- C80 H72 Br16 N24 Pt8 -","8","1","HY2523","Ha, Kwang","Dibromido(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(II)","Acta Crystallographica Section E","2012","68","4","m453","","10.1107/S1600536812011300","","","0.71073","MoKα","","0.0414","0.0288","","","0.066","0.0786","","","","","","1.102","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234263","13.928","0.005","7.473","0.003","16.653","0.004","90","","122.43","0.02","90","","1463","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido(ethanol-κ<i>O</i>)[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>- benzimidazole-κ<i>N</i>^3^]copper(II)","","- C12 H13 Cl2 Cu N3 O S -","- C12 H13 Cl2 Cu N3 O S -","- C48 H52 Cl8 Cu4 N12 O4 S4 -","4","1","HY2524","Li, Long; Diao, Kai-Sheng; Ding, Yu-Qiu; Tang, Jin-Niu; Wang, Dai-Yin","Dichlorido(ethanol-κ<i>O</i>)[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II)","Acta Crystallographica Section E","2012","68","4","m508","","10.1107/S1600536812013037","","","0.71073","MoKα","","0.045","0.0343","","","0.0905","0.1087","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234264","7.7332","0.0006","10.8948","0.0008","11.9112","0.0009","103.625","0.001","90.664","0.002","98.993","0.001","962.08","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){(<i>E</i>)-[(5-chloro-2- oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methanesulfonato-κ<i>O</i>}zinc","","- C18 H16 Cl N3 O5 S Zn -","- C18 H16 Cl N3 O5 S Zn -","- C36 H32 Cl2 N6 O10 S2 Zn2 -","2","1","HY2525","Deng, Yi-Fang; Nie, Xue; Zhang, Chun-Hua","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){(<i>E</i>)-[(5-chloro-2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methanesulfonato-κ<i>O</i>}zinc","Acta Crystallographica Section E","2012","68","4","m517","","10.1107/S1600536812013050","","","0.71073","MoKα","","0.0315","0.0283","","","0.0753","0.0767","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234265","16.0822","0.0001","16.0822","0.0001","9.0114","0.0002","90","","90","","90","","2330.68","0.06","153","2","153","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","<i>catena</i>-Poly[(chloridozinc)-μ-5-(1-methyl-1<i>H</i>-benzimidazol- 2-yl-κ<i>N</i>^3^)-1,2,3-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]","","- C10 H8 Cl N5 Zn -","- C10 H8 Cl N5 Zn -","- C80 H64 Cl8 N40 Zn8 -","8","1","HY2526","Sun, Chen-Guang; Song, Ji-Rong","<i>catena</i>-Poly[(chloridozinc)-μ-5-(1-methyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)-1,2,3-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2012","68","4","m520","","10.1107/S1600536812012706","","","0.71073","MoKα","","0.0284","0.0237","","","0.0579","0.0608","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234266","9.4268","0.0009","10.2468","0.001","12.6122","0.0011","84.973","0.006","70.377","0.005","75.676","0.006","1111.83","0.19","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","9-(4-Hydroxy-3,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9- hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C25 H30 O6 -","- C25 H30 O6 -","- C50 H60 O12 -","2","1","IM2356","Sughanya, V.; Sureshbabu, N.","9-(4-Hydroxy-3,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","4","o1060","","10.1107/S1600536812010410","","","0.71073","MoKα","","0.1113","0.0513","","","0.1209","0.1571","","","","","","0.983","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234267","8.469","0.003","11.116","0.003","18.834","0.006","92.111","0.014","90.823","0.014","107.352","0.014","1690.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Aquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole- κ^2^<i>N</i>^2^,<i>N</i>^3^](trifluoromethanesulfonato-κ<i>O</i>)copper(II) trifluoromethanesulfonate","","- C26 H18 Cu F6 N8 O7 S4 -","- C26 H18 Cu F6 N8 O7 S4 -","- C52 H36 Cu2 F12 N16 O14 S8 -","2","1","IM2358","Bentiss, Fouad; Outirite, Moha; Lagrenée, Michel; Saadi, Mohamed; El Ammari, Lahcen","Aquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^](trifluoromethanesulfonato-κ<i>O</i>)copper(II) trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","4","m360","m361","10.1107/S1600536812008732","","","0.71073","MoKα","","0.0523","0.0406","","","0.0928","0.0991","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234268","10.5189","0.0005","8.1339","0.0003","20.0009","0.0013","90","","90","","90","","1711.27","0.15","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1<i>H</i>- pyrazol-1-yl]benzonitrile","","- C21 H14 F N5 -","- C21 H14 F N5 -","- C84 H56 F4 N20 -","4","1","IM2359","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-1-yl]benzonitrile","Acta Crystallographica Section E","2012","68","4","o935","","10.1107/S160053681200877X","","","1.54178","CuKα","","0.0387","0.0381","","","0.1022","0.103","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234269","11.5409","0.0004","8.1345","0.0002","14.1115","0.0005","90","","97.294","0.002","90","","1314.06","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Formylphenyl)-<i>p</i>‒toluenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","IM2360","Murugavel, S.; Manikandan, N.; Kannan, D.; Bakthadoss, M.","<i>N</i>-(2-Formylphenyl)-4-toluenesulfonamide: a second monoclinic polymorph","Acta Crystallographica Section E","2012","68","4","o1009","o1010","10.1107/S1600536812009403","","","0.71073","MoKα","","0.0833","0.0485","","","0.1316","0.1551","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234270","4.9817","0.0004","18.4025","0.0015","10.1526","0.0009","90","","95.924","0.001","90","","925.78","0.13","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Chloro-5-(chloromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine-3-carbonitrile","","- C8 H4 Cl2 N4 -","- C8 H4 Cl2 N4 -","- C32 H16 Cl8 N16 -","4","1","IM2361","Xu, Jingli; Liu, Hang; Li, Guixia; Qi, Chuanmin","7-Chloro-5-(chloromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine-3-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1161","","10.1107/S160053681201166X","","","0.71073","MoKα","","0.047","0.0384","","","0.0985","0.1043","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234271","15.9784","0.0003","30.6984","0.0008","8.7072","0.0002","90","","90","","90","","4270.98","0.17","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[Disulfanediylbis(ferrocenylthiophosphinato)- κ^2^<i>O</i>,<i>O</i>]titanocene tetrahydrofuran trisolvate","","- C42 H52 Fe2 O5 P2 S4 Ti -","- C42 H52 Fe2 O5 P2 S4 Ti -","- C168 H208 Fe8 O20 P8 S16 Ti4 -","4","1","IM2362","Karakus, Mehmet; Woollins, J. Derek; Lönnecke, Peter; Hey-Hawkins, Evamarie","[Disulfanediylbis(ferrocenylthiophosphinato)-κ^2^<i>O</i>,<i>O</i>]titanocene tetrahydrofuran trisolvate","Acta Crystallographica Section E","2012","68","4","m428","","10.1107/S1600536812010811","","","0.71073","MoKα","","0.0628","0.048","","","0.1015","0.1054","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234272","7.736","0.0015","12.441","0.003","12.577","0.003","64.14","0.03","81.14","0.02","86.46","0.03","1076.2","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-[(1-Benzyl-4-benzylidene-2,5-dioxopyrrolidin-3- yl)methyl]benzaldehyde 0.25-hydrate","","- C26 H21.5 N O3.25 -","- C26 H21.5 N O3.25 -","- C52 H43 N2 O6.5 -","2","1","IM2364","Yu, Tao; Hu, Yimin","(<i>E</i>)-4-[(1-Benzyl-4-benzylidene-2,5-dioxopyrrolidin-3-yl)methyl]benzaldehyde 0.25-hydrate","Acta Crystallographica Section E","2012","68","4","o1184","","10.1107/S1600536812012160","","","0.71073","MoKα","","0.0764","0.0612","","","0.1409","0.149","","","","","","1.093","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234273","8.576","0.0008","16.8916","0.0016","7.4893","0.0007","90","","96.296","0.002","90","","1078.37","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(dipyridin-2-ylamine-κ^2^<i>N</i>^2^,<i>N</i>^2-^)palladium(II) dinitrate","","- C20 H18 N8 O6 Pd -","- C20 H18 N8 O6 Pd -","- C40 H36 N16 O12 Pd2 -","2","0.5","IM2365","Ha, Kwang","Bis(dipyridin-2-ylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II) dinitrate","Acta Crystallographica Section E","2012","68","4","m501","","10.1107/S1600536812012081","","","0.71073","MoKα","","0.0532","0.0317","","","0.0596","0.0861","","","","","","1.156","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2234274","8.9579","0.0006","8.9579","0.0006","21.187","0.003","90","","90","","120","","1472.4","0.3","273","2","273","2","","","","","","","","4","P 31","P 31","144","(<i>R</i>)-1,1'-Binaphthalene-2,2'-diol‒ (<i>Z</i>)-<i>N</i>-ethylethanimine <i>N</i>-oxide (1/1)","(<i>R</i>)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol‒ (<i>Z</i>)-<i>N</i>-ethylethanimine <i>N</i>-oxide (1/1)","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C72 H69 N3 O9 -","3","1","IS5033","Shao, Bo; Wang, Hai-Bin","(<i>R</i>)-1,1'-Binaphthalene-2,2'-diol‒(<i>Z</i>)-<i>N</i>-ethylideneethanamine <i>N</i>-oxide (1/1)","Acta Crystallographica Section E","2012","68","4","o948","","10.1107/S1600536812007477","","","0.71073","MoKα","","0.0559","0.0529","","","0.1136","0.1152","","","","","","1.189","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234275","4.6316","0.0004","9.3157","0.0008","26.458","0.002","90","","94.485","0.002","90","","1138.08","0.16","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-Methyl-2-(5-nitro-2-oxoindolin-3- ylidene)hydrazinecarbothioamide","","- C10 H9 N5 O3 S -","- C10 H9 N5 O3 S -","- C40 H36 N20 O12 S4 -","4","1","IS5048","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-<i>N</i>-Methyl-2-(5-nitro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o953","o954","10.1107/S1600536812001183","","","0.71073","MoKα","","0.0655","0.0483","","","0.0956","0.102","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234276","8.9669","0.0012","18.784","0.002","7.8288","0.001","90","","99.684","0.003","90","","1299.8","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl 4-fluorobenzoate","","- C13 H12 F N3 O4 -","- C13 H12 F N3 O4 -","- C52 H48 F4 N12 O16 -","4","1","IS5064","Yousuf, Sammer; Zeb, Aurang; Basha, Fatima Z.","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl 4-fluorobenzoate","Acta Crystallographica Section E","2012","68","4","o952","","10.1107/S1600536812006319","","","0.71073","MoKα","","0.0329","0.032","","","0.0877","0.0883","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234277","6.2826","0.0002","10.0341","0.0003","19.1315","0.0005","90","","90","","90","","1206.05","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>-Methyl-2-(5-methyl-2-oxoindolin-3- ylidene)hydrazinecarbothioamide","","- C11 H12 N4 O S -","- C11 H12 N4 O S -","- C44 H48 N16 O4 S4 -","4","1","IS5066","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-<i>N</i>-Methyl-2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o955","o956","10.1107/S1600536812005417","","","0.71073","MoKα","","0.0419","0.0371","","","0.0922","0.097","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234278","6.2838","0.0002","24.8474","0.0013","8.0478","0.0003","90","","122.255","0.002","90","","1062.64","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(Phenyldiazenyl)tropolone","(<i>E</i>)-2-hydroxy-5-(phenyldiazenyl)cyclohepta-2,4,6-trien-1-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","IS5073","Hill, Tania N.; Mangwaela, Moeketsi S.; Steyl, Gideon","5-(Phenyldiazenyl)tropolone","Acta Crystallographica Section E","2012","68","4","o941","","10.1107/S1600536812008677","","","0.71073","MoKα","","","0.0481","","","","0.1277","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234279","11.1592","0.0006","21.2248","0.0011","13.6121","0.0007","90","","103.113","0.001","90","","3140","0.3","90","1","90","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Rubrene endoperoxide acetone monosolvate","1,3,10,12-tetraphenyl-19,20- dioxapentacyclo[10.6.2.0^2,11^.0^4,9^.0^13,18^]icosa- 2(11),3,5,7,9,13,15,17-octaene acetone monosolvate","","- C45 H34 O3 -","- C45 H34 O3 -","- C180 H136 O12 -","4","1","IS5077","Shinashi, Kiyoaki; Uchida, Akira","Rubrene endoperoxide acetone monosolvate","Acta Crystallographica Section E","2012","68","4","o995","o996","10.1107/S1600536812008835","","","0.71073","MoKα","","0.0798","0.0491","","","0.1048","0.1192","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234280","11.0746","0.0006","24.9781","0.0013","9.5563","0.0005","90","","114.658","0.001","90","","2402.4","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aquamanganese(III)]-μ-(<i>E</i>)-5-bromo- <i>N</i>-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]- 2-oxidobenzamidato] <i>N</i>,<i>N</i>-dimethylfomamide monosolvate]","","- C23 H19 Br2 Mn N4 O7 -","- C23 H19 Br2 Mn N4 O7 -","- C92 H76 Br8 Mn4 N16 O28 -","4","1","IS5080","Farag, Abeer Mohamed; Guan, Teoh Siang; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","<i>catena</i>-Poly[[[aquamanganese(III)]-μ-(<i>E</i>)-5-bromo-<i>N</i>-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]-2-oxidobenzamidato] <i>N</i>,<i>N</i>-dimethylfomamide monosolvate]","Acta Crystallographica Section E","2012","68","4","m365","m366","10.1107/S1600536812008501","","","0.71073","MoKα","","0.0476","0.0337","","","0.0801","0.0853","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234281","9.4446","0.0005","19.5625","0.0008","8.6657","0.0005","90","","98.903","0.004","90","","1581.78","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-1-[(5-methoxy-1<i>H</i>-indol-2-yl)methyl]-1<i>H</i>-indole","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","IS5084","Attia, Mohamed I.; El-Brollosy, Nasser R.; Ghabbour, Hazem A.; Arshad, Suhana; Fun, Hoong-Kun","5-Methoxy-1-[(5-methoxy-1<i>H</i>-indol-2-yl)methyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","4","o971","","10.1107/S1600536812009257","","","1.54178","CuKα","","0.0564","0.0461","","","0.1242","0.1329","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234282","7.3319","0.0001","18.5135","0.0003","22.0578","0.0003","90","","91.516","0.001","90","","2993.06","0.08","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(6-methoxy-1-methyl-2,3,4,9-tetrahydro-1<i>H</i>-β-carbolin-2-ium) tetrachloridozincate(II) dihydrate","","- C26 H38 Cl4 N4 O4 Zn -","- C26 H38 Cl4 N4 O4 Zn -","- C104 H152 Cl16 N16 O16 Zn4 -","4","1","IS5085","Goh, Teik Beng; Mordi, Mohd Nizam; Mansor, Sharif Mahsufi; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","Bis(6-methoxy-1-methyl-2,3,4,9-tetrahydro-1<i>H</i>-β-carbolin-2-ium) tetrachloridozincate(II) dihydrate","Acta Crystallographica Section E","2012","68","4","m464","m465","10.1107/S1600536812011130","","","0.71073","MoKα","","0.0712","0.0432","","","0.0878","0.0979","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234283","8.3431","0.00001","8.4776","0.00001","15.9821","0.0002","91.566","0.0001","91.782","0.0001","109.835","0.0001","1061.96","0.013","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6-(3,5-Dimethylbenzyl)-5-ethyl-1-[(2-phenylethoxy)methyl]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)dione","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C48 H56 N4 O6 -","2","1","IS5086","El-Brollosy, Nasser R.; Attia, Mohamed I.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","6-(3,5-Dimethylbenzyl)-5-ethyl-1-[(2-phenylethoxy)methyl]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)dione","Acta Crystallographica Section E","2012","68","4","o1031","o1032","10.1107/S1600536812009841","","","1.54178","CuKα","","0.0468","0.0441","","","0.1206","0.123","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234284","11.5555","0.0012","10.1981","0.0011","22.843","0.002","90","","90","","90","","2691.9","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C120 H112 O24 S8 -","8","1","IS5087","Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.; Ghabbour, Hazem A.; Fun, Hoong-Kun; Chia, Tze Shyang","1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone","Acta Crystallographica Section E","2012","68","4","o1033","","10.1107/S160053681200966X","","","1.54178","CuKα","","0.0787","0.0451","","","0.1112","0.1235","","","","","","0.891","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234285","7.271","0.002","12.654","0.004","13.645","0.005","88.252","0.015","85.695","0.014","73.623","0.012","1201","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- yl)iminomethyl]-2-methoxyphenyl 4-bromobenzenesulfonate","","- C25 H22 Br N3 O5 S -","- C25 H22 Br N3 O5 S -","- C50 H44 Br2 N6 O10 S2 -","2","1","IS5089","Duan, Zhong-Yu; Ma, Guo-Li; Yang, Li-Ping","(<i>E</i>)-4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)iminomethyl]-2-methoxyphenyl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o1039","","10.1107/S1600536812010057","","","0.71073","MoKα","","0.031","0.0252","","","0.0585","0.0594","","","","","","0.945","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234286","14.1321","0.0004","5.8524","0.0002","19.0076","0.0006","90","","100.307","0.002","90","","1546.69","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-<i>p</i>-Tolyl-2-(<i>p</i>-tolylimino)-1,3-thiazolidin-4-one","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","IS5090","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","(<i>Z</i>)-3-<i>p</i>-Tolyl-2-(<i>p</i>-tolylimino)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","4","o1143","","10.1107/S160053681201149X","","","1.54178","CuKα","","0.0556","0.046","","","0.1262","0.135","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234287","6.8322","0.0002","16.8974","0.0005","25.7968","0.0006","90","","90","","90","","2978.15","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Acetyl-1,5-diphenyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C144 H104 N24 O8 -","8","1","IS5091","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Acetyl-1,5-diphenyl-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1095","o1096","10.1107/S1600536812010938","","","1.54178","CuKα","","0.0453","0.0387","","","0.1109","0.1161","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234288","7.0057","0.0004","14.7685","0.0009","14.9633","0.0009","90","","98.118","0.001","90","","1532.64","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrakis(azido-κ<i>N</i>)(di-2-pyridylamine- κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(IV)","","- C10 H9 N15 Pt -","- C10 H9 N15 Pt -","- C40 H36 N60 Pt4 -","4","1","IS5092","Ha, Kwang","Tetrakis(azido-κ<i>N</i>)(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(IV)","Acta Crystallographica Section E","2012","68","4","m447","","10.1107/S1600536812011178","","","0.71073","MoKα","","0.0644","0.036","","","0.0662","0.0767","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234289","10.2433","0.0002","10.6467","0.0002","15.7547","0.0003","90","","109.684","0.001","90","","1617.76","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-5-phenyl-1-<i>p</i>-tolyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","IS5093","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Acetyl-5-phenyl-1-<i>p</i>-tolyl-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1167","","10.1107/S1600536812011762","","","1.54178","CuKα","","0.0462","0.0422","","","0.1141","0.1178","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234290","7.286","0.0002","10.2982","0.0003","10.7727","0.0003","63.721","0.003","73.122","0.002","76.737","0.002","688.74","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Amino-1,3,4-thiadiazol-2(3<i>H</i>)-one","","- C2 H3 N3 O S -","- C2 H3 N3 O S -","- C12 H18 N18 O6 S6 -","6","3","IS5096","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","5-Amino-1,3,4-thiadiazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1198","","10.1107/S1600536812012433","","","0.71073","MoKα","","0.0467","0.0309","","","","0.0795","","","","","","0.941","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234291","14.1384","0.0002","11.1948","0.0001","17.7264","0.0002","90","","107.955","0.001","90","","2669.03","0.06","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea","","- C11 H12 Br Cl N2 O S -","- C11 H12 Br Cl N2 O S -","- C88 H96 Br8 Cl8 N16 O8 S8 -","8","2","IS5098","Yusof, Mohd Sukeri Mohd; Embong, Nur Farhana; Arshad, Suhana; Razak, Ibrahim Abdul","1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1267","","10.1107/S160053681201327X","","","0.71073","MoKα","","0.0511","0.0306","","","0.0615","0.0672","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234292","16.3579","0.001","6.1382","0.0004","30.7095","0.0018","90","","90.373","0.001","90","","3083.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-({3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzyl}sulfanyl)-1,3,4- thiadiazol-2-amine","","- C12 H12 N6 S4 -","- C12 H12 N6 S4 -","- C96 H96 N48 S32 -","8","1","IS5100","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","5-({3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2012","68","4","o1241","","10.1107/S1600536812013116","","","0.71073","MoKα","","0.0679","0.0386","","","","0.0765","","","","","","0.883","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234293","10.9391","0.0004","18.1257","0.0006","14.1818","0.0005","90","","94.157","0.002","90","","2804.55","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-benzofuran-2-carbohydrazide","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C120 H120 N24 O24 -","12","3","IS5101","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Methyl-1-benzofuran-2-carbohydrazide","Acta Crystallographica Section E","2012","68","4","o1255","o1256","10.1107/S1600536812013190","","","1.54178","CuKα","","0.0645","0.0447","","","0.1215","0.1334","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234294","8.7522","0.0002","10.8464","0.0003","16.1156","0.0004","90","","103.968","0.002","90","","1484.62","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-Anilino-2-benzoyl-3-(methylsulfanyl)acrylonitrile","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","IS5105","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-3-Anilino-2-benzoyl-3-(methylsulfanyl)acrylonitrile","Acta Crystallographica Section E","2012","68","4","o1271","","10.1107/S1600536812013475","","","1.54178","CuKα","","0.0412","0.0388","","","0.1064","0.1087","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234295","7.7088","0.0007","14.6893","0.0009","9.6887","0.0008","90","","96.782","0.01","90","","1089.44","0.15","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3-acetylpyridine-κ<i>N</i>)bis(methanol- κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C18 H22 N4 Ni O4 S2 -","- C18 H22 N4 Ni O4 S2 -","- C36 H44 N8 Ni2 O8 S4 -","2","0.5","JJ2122","Werner, Julia; Boeckmann, Jan; Jess, Inke; Näther, Christian","Bis(3-acetylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","4","m441","m442","10.1107/S1600536812008860","","","0.71073","MoKα","","0.0523","0.039","","","0.0947","0.1011","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234296","8.1507","0.0003","16.7258","0.0008","9.2967","0.0004","90","","98.354","0.003","90","","1253.94","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>H</i>-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethylpropanoate","","- C12 H15 N3 O2 -","- C12 H15 N3 O2 -","- C48 H60 N12 O8 -","4","1","JJ2123","Xu, Sen; Shen, Yingzhong","(1<i>H</i>-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethylpropanoate","Acta Crystallographica Section E","2012","68","4","o1066","","10.1107/S1600536812010252","","","0.71073","MoKα","","0.0552","0.0433","","","0.1182","0.1277","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234297","10.3732","0.0017","7.996","0.0013","37.665","0.006","90","","90","","90","","3124.1","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-((1H-imidazol-1-yl)methyl)-1-(4-(trifluoromethyl)phenyl)-1H-indole","2-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1<i>H</i>- indole","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C152 H112 F24 N24 -","8","1","JJ2125","Wang, Rui; Shi, Hong-fan; Du, Lin; Zhao, Jing-feng; Liu, Jian-ping","2-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","4","o1081","","10.1107/S1600536812010471","","","0.71073","MoKα","","0.1174","0.0791","","","0.1863","0.2142","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234298","14.1173","0.0014","5.2038","0.0005","16.4239","0.0019","90","","94.019","0.01","90","","1203.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{2-[(<i>E</i>)-Cyclopentylidene]hydrazin-1-yl}benzenesulfonamide","","- C11 H15 N3 O2 S -","- C11 H15 N3 O2 S -","- C44 H60 N12 O8 S4 -","4","1","JJ2126","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-{2-[(<i>E</i>)-Cyclopentylidene]hydrazin-1-yl}benzenesulfonamide","Acta Crystallographica Section E","2012","68","4","o1196","","10.1107/S1600536812012524","","","0.71073","MoKα","","0.0872","0.0558","","","0.1063","0.1226","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234299","11.9398","0.0012","4.668","0.0005","14.7818","0.0018","90","","101.961","0.011","90","","805.98","0.16","123","1","123","1","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(<i>E</i>)-(1,10-Phenanthrolin-5-yl)iminomethyl]phenol methanol monosolvate","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","JJ2127","Öztürk Yíldírím, Sema; Demirhan, Nebahat; Elmalí, Fikriye; Butcher, Ray J.","2-[(<i>E</i>)-(1,10-Phenanthrolin-5-yl)iminomethyl]phenol methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1173","o1174","10.1107/S1600536812011890","","","1.54184","CuKα","","0.0407","0.0391","","","0.1069","0.11","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234300","14.5445","0.0006","8.3832","0.0003","16.2341","0.0006","90","","90","","90","","1979.41","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Nitrophenyl)morpholine","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","KJ2195","Wang, Li-Jiao; Li, Wei-Wei; Yang, Sheng-Yong; Yang, Li","4-(4-Nitrophenyl)morpholine","Acta Crystallographica Section E","2012","68","4","o1235","","10.1107/S1600536812012172","","","0.71073","MoKα","","0.074","0.0478","","","0.106","0.1213","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234301","11.547","0.0004","20.9656","0.0007","7.873","0.0003","90","","90","","90","","1905.97","0.12","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","{5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}palladium(II)","","- C21 H24 N2 O4 Pd -","- C21 H24 N2 O4 Pd -","- C84 H96 N8 O16 Pd4 -","4","0.5","KJ2196","Che Soh, Siti Kamilah; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","{5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}palladium(II)","Acta Crystallographica Section E","2012","68","4","m514","m515","10.1107/S1600536812013128","","","0.71073","MoKα","","0.0173","0.0163","","","0.0425","0.0431","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234302","8.1771","0.0002","9.8877","0.0002","11.8423","0.0003","103.108","0.001","90.872","0.001","111.546","0.001","862.23","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Fluorophenyl)-5-iodo-3-phenylsulfinyl-1-benzofuran","","- C20 H12 F I O2 S -","- C20 H12 F I O2 S -","- C40 H24 F2 I2 O4 S2 -","2","1","KJ2197","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(4-Fluorophenyl)-5-iodo-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o1237","","10.1107/S1600536812013086","","","0.71073","MoKα","","0.026","0.0238","","","0.0589","0.0602","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234303","6.4958","0.0006","11.7671","0.001","12.508","0.0011","90","","100.064","0.002","90","","941.36","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonylchlorido(η^5^-cyclopentadienyl)molybdenum(II)","","- C8 H5 Cl Mo O3 -","- C8 H5 Cl Mo O3 -","- C32 H20 Cl4 Mo4 O12 -","4","1","KP2389","Ogweno, Aloice O.; Onani, Martin O.","Tricarbonylchlorido(η^5^-cyclopentadienyl)molybdenum(II)","Acta Crystallographica Section E","2012","68","4","m364","","10.1107/S1600536812008471","","","0.71073","MoKα","","0.0328","0.0221","","","0.0427","0.0455","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234304","6.2022","0.0004","7.522","0.0004","24.7673","0.0015","98.41","0.005","94.425","0.005","94.2","0.005","1135.44","0.12","150","","150","","","","","","","","","3","P -1","-P 1","2","","<i>rac</i>-[3-Hydroxy-6,9-dimethyl-6-(4-methylpent-3-en-1-yl)-6a,7,8,9,10,10a- hexahydro-6<i>H</i>-1,9-epoxybenzo[<i>c</i>]chromen-4-yl](phenyl)methanone","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","1","KP2392","Ee, Gwendoline Cheng Lian; Teh, Soek Sin; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Mah, Siau Hui","<i>rac</i>-[3-Hydroxy-6,9-dimethyl-6-(4-methylpent-3-en-1-yl)-6a,7,8,9,10,10a-hexahydro-6<i>H</i>-1,9-epoxybenzo[<i>c</i>]chromen-4-yl](phenyl)methanone","Acta Crystallographica Section E","2012","68","4","o1091","o1092","10.1107/S1600536812010756","","","1.5418","CuKα","","0.0619","0.0461","","0.1168","0.1054","0.1165","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234305","14.526","0.003","6.1065","0.0012","17.49","0.003","90","","99.098","0.003","90","","1531.9","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-(2-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-2-yl acetate","","- C16 H16 Cl N O2 S -","- C16 H16 Cl N O2 S -","- C64 H64 Cl4 N4 O8 S4 -","4","1","KP2393","Yang, Jing; Chen, Na; Sun, Hao; Cao, Xiao-Xia; Liu, Deng-Ke","5-(2-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-2-yl acetate","Acta Crystallographica Section E","2012","68","4","o1053","","10.1107/S1600536812010045","","","0.71073","MoKα","","0.0332","0.03","","","0.0839","0.0856","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234306","5.215","0.001","7.3356","0.0015","24.001","0.005","97.62","0.03","90.62","0.03","95.77","0.03","905.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[hydrazin-1-ium [diaquabis(μ~4~-pyridazine-3,6-dicarboxylato)trilithate] monohydrate]","","- C12 H15 Li3 N6 O11 -","- C12 H15 Li3 N6 O11 -","- C24 H30 Li6 N12 O22 -","2","1","KP2395","Starosta, Wojciech; Leciejewicz, Janusz","Poly[hydrazin-1-ium [diaquabis(μ~4~-pyridazine-3,6-dicarboxylato)trilithate] monohydrate]","Acta Crystallographica Section E","2012","68","4","m496","m497","10.1107/S1600536812012743","","","0.71073","MoKα","","0.1325","0.0574","","","0.1783","0.2426","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234307","13.878","0.003","13.475","0.003","17.421","0.004","90","","90","","90","","3257.8","1.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(2,4-Dichlorophenyl)-5-(2-nitroanilino)-1<i>H</i>-pyrazole-4-carbonitrile","","- C16 H9 Cl2 N5 O2 -","- C16 H9 Cl2 N5 O2 -","- C128 H72 Cl16 N40 O16 -","8","1","KP2396","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Li, Chun-Yan; Xu, Li-Feng","1-(2,4-Dichlorophenyl)-5-(2-nitroanilino)-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1142","","10.1107/S1600536812011506","","","0.71073","MoKα","","0.0799","0.0523","","","0.1258","0.1422","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234308","9.6123","0.0004","9.9437","0.0003","24.9677","0.0007","90","","90","","90","","2386.46","0.14","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2<i>S</i>)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl- 1<i>H</i>-imidazole","","- C30 H25 Cl N2 -","- C30 H25 Cl N2 -","- C120 H100 Cl4 N8 -","4","1","LD2044","Xiao, Yongmei; Yang, Liangru; He, Kun; Yuan, Jinwei; Mao, Pu","1-[(2<i>S</i>)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","4","o1153","","10.1107/S1600536812009609","","","1.5418","CuKα","","0.0655","0.045","","","0.089","0.0978","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234309","10.0411","0.0003","11.3123","0.0003","18.5549","0.0007","90","","90","","90","","2107.61","0.12","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β-Methyl-3,20-dioxopregn-4-en-17-yl acetate","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","LD2047","Chen, Longran; Liu, Xuefen; Yang, Peng","6β-Methyl-3,20-dioxopregn-4-en-17-yl acetate","Acta Crystallographica Section E","2012","68","4","o997","","10.1107/S1600536812008665","","","0.71073","MoKα","","0.0533","0.0393","","","0.0901","0.1024","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234310","7.276","0.003","18.075","0.006","7.246","0.003","90","","97.055","0.005","90","","945.7","0.6","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,7,8-Trimethyl-2<i>H</i>-chromen-2-one","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","LD2048","Yang, Jian-Xin; Tan, Xue-Mei; Wang, Xiang-Hui; Wang, Yin","4,7,8-Trimethyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2012","68","4","o1014","","10.1107/S1600536812009646","","","0.71073","MoKα","","0.0679","0.0502","","","0.1031","0.1117","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234311","9.3692","0.0014","20.161","0.003","11.6281","0.0018","90","","110.221","0.002","90","","2061.1","0.5","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>rac</i>-18-Methoxycoronaridine hydrochloride","(1<i>RS</i>,13<i>RS</i>,17<i>SR</i>)-1-(methoxycarbonyl)-17-(2-methoxyethyl)- 3,13-diazapentacyclo[13.3.1.0^2,10^.0^4,9^.0^13,18^]nonadeca- 2(10),4,6,8-tetraen-13-ium chloride","","- C22 H29 Cl N2 O3 -","- C22 H29 Cl N2 O3 -","- C88 H116 Cl4 N8 O12 -","4","1","LD2049","Kuehne, Martin E.; Waterman, Rory","<i>rac</i>-18-Methoxycoronaridine hydrochloride","Acta Crystallographica Section E","2012","68","4","o1041","","10.1107/S1600536812009981","","","0.71073","MoKα","","0.1124","0.0526","","","0.0991","0.1181","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234312","8.4365","0.0002","9.2771","0.0002","9.7956","0.0002","91.404","0.001","91.271","0.0001","115.111","0.001","693.55","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-(5-Fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-yl)acetic acid","","- C14 H15 F O3 S -","- C14 H15 F O3 S -","- C28 H30 F2 O6 S2 -","2","1","LD2050","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(5-Fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","4","o946","","10.1107/S1600536812008240","","","0.71073","MoKα","","0.0586","0.0509","","","0.1466","0.1547","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234313","5.4478","0.0002","8.2149","0.0003","27.3841","0.0006","90","","90","","90","","1225.52","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>S</i>-Phenyl 4-methoxybenzothioate","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","LH5413","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; El-Subbagh, Hussein I.; Chantrapromma, Suchada; Fun, Hoong-Kun","<i>S</i>-Phenyl 4-methoxybenzothioate","Acta Crystallographica Section E","2012","68","4","o1074","o1075","10.1107/S1600536812005454","","","1.54178","CuKα","","0.0998","0.0561","","","0.1604","0.1986","","","","","","1.221","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234314","7.114","0.005","10.404","0.005","11.151","0.005","70.426","0.005","88.549","0.005","76.081","0.005","753.4","0.7","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2,2-dimethoxy-5,5-bis(methylsulfanyl)-3-oxopent-4-enedithioate","","- C10 H16 O3 S4 -","- C10 H16 O3 S4 -","- C20 H32 O6 S8 -","2","1","LH5419","Ghorbani, Mohammad Hassan","Methyl 2,2-dimethoxy-5,5-bis(methylsulfanyl)-3-oxopent-4-enedithioate","Acta Crystallographica Section E","2012","68","4","o1133","","10.1107/S1600536812011282","","","0.71069","MoKα","","0.0724","0.037","","","0.0788","0.0853","","","","","","0.814","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234315","17.5415","0.0008","12.0708","0.0006","7.843","0.0004","90","","101.854","0.003","90","","1625.26","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3,7-Dimethylocta-2,6-dien-1-ylidene]pyridine- 4-carbohydrazide","","- C16 H21 N3 O -","- C16 H21 N3 O -","- C64 H84 N12 O4 -","4","1","LH5421","Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3,7-Dimethylocta-2,6-dien-1-ylidene]pyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","4","o1144","o1145","10.1107/S1600536812009075","","","1.54178","CuKα","","0.0606","0.0494","","","0.1416","0.1542","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234316","12.159","0.002","4.5893","0.0009","17.666","0.004","90","","104.98","0.03","90","","952.3","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[μ~2~-aqua-bis[μ~4~-2-(1<i>H</i>-1,2,3-benzotriazol-1- yl)acetato]dipotassium]","","- C8 H7 K N3 O2.5 -","- C8 H7 K N3 O2.5 -","- C32 H28 K4 N12 O10 -","4","1","LH5422","Liu, Qiong","Poly[μ~2~-aqua-bis[μ~4~-2-(1<i>H</i>-1,2,3-benzotriazol-1-yl)acetato]dipotassium]","Acta Crystallographica Section E","2012","68","4","m379","","10.1107/S1600536812008963","","","0.71073","MoKα","","0.1053","0.0693","","","0.1231","0.1354","","","","","","1.054","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2234317","7.8069","0.0003","8.477","0.0003","10.1426","0.0003","103.782","0.002","90.342","0.002","109.928","0.002","610.07","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,6-Dimethylphenyl)-<i>N</i>'-propanoylthiourea","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C24 H32 N4 O2 S2 -","2","1","LH5423","Yusof, Mohd Sukeri Mohd; Mutalib, Siti Fatimah Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","<i>N</i>-(2,6-Dimethylphenyl)-<i>N</i>'-propanoylthiourea","Acta Crystallographica Section E","2012","68","4","o982","","10.1107/S1600536812009233","","","0.71073","MoKα","","0.0517","0.0395","","","0.0875","0.1003","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234318","9.0296","0.0004","18.0457","0.0007","27.4755","0.001","90","","90","","90","","4477","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-(2,3-Dimethylanilino)-<i>N</i>'-[2-methyl-5-(prop-1-en- 2-yl)cyclohex-2-enylidene]benzohydrazide","","- C25 H29 N3 O -","- C25 H29 N3 O -","- C200 H232 N24 O8 -","8","2","LH5424","Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-2-(2,3-Dimethylanilino)-<i>N</i>'-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1135","","10.1107/S1600536812009087","","","1.54178","CuKα","","0.0848","0.0586","","","0.1514","0.1673","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234319","7.8136","0.0002","19.3483","0.0004","10.1926","0.0002","90","","100.346","0.002","90","","1515.86","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-{3-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidin-1-yl}acetate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","LH5425","Kapoor, Kamini; Deshmukh, Madhukar B.; Shripanavar, Chetan S.; Gupta, Vivek K.; Kant, Rajni","Ethyl 2-{3-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidin-1-yl}acetate","Acta Crystallographica Section E","2012","68","4","o987","","10.1107/S160053681200918X","","","0.71073","MoKα","","0.0514","0.0375","","","0.0841","0.0904","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234320","11.5734","0.001","5.9705","0.0004","16.1202","0.0014","90","","106.49","0.004","90","","1068.07","0.15","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-1<i>H</i>-benzotriazole","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","LH5426","Selvarathy Grace, P.; Jebas, Samuel Robinson; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyl-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2012","68","4","o1132","","10.1107/S1600536812010951","","","1.54178","CuKα","","0.062","0.0549","","","0.1338","0.1381","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234321","7.8409","0.0003","9.6373","0.0004","9.5199","0.0004","90","","105.689","0.003","90","","692.57","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[Amino(imino)methyl]uronium tetrafluoroborate","","- C2 H7 B F4 N4 O -","- C2 H7 B F4 N4 O -","- C8 H28 B4 F16 N16 O4 -","4","1","LH5427","Fridrichová, Michaela; Fábry, Jan; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl","<i>N</i>-[Amino(imino)methyl]uronium tetrafluoroborate","Acta Crystallographica Section E","2012","68","4","o1114","o1115","10.1107/S1600536812010665","","","1.5418","CuKα","","0.0249","0.0242","","0.0805","0.0796","0.0805","","","1.74","","","1.74","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234322","7.741","0.002","9.23","0.001","10.464","0.001","71.63","0.02","75.222","0.001","82.081","0.001","684.7","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-{2-Hydroxy-6-[3-(pyrrol-1-yl)propoxy]phenyl}ethanone","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","LH5428","Ourari, Ali; Aggoun, Djouhra; Bouacida, Sofiane","1-{2-Hydroxy-6-[3-(pyrrol-1-yl)propoxy]phenyl}ethanone","Acta Crystallographica Section E","2012","68","4","o1083","","10.1107/S1600536812010641","","","0.71073","MoKα","","0.0613","0.046","","","0.1166","0.1283","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234323","21.0503","0.0019","9.9895","0.0011","30.185","0.002","90","","101.836","0.002","90","","6212.4","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-Chloro-<i>N</i>'-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide","","- C14 H9 Br2 Cl N2 O2 -","- C14 H9 Br2 Cl N2 O2 -","- C224 H144 Br32 Cl16 N32 O32 -","16","2","LH5429","Zhang, Wei-Guang","4-Chloro-<i>N</i>'-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1209","","10.1107/S1600536812009786","","","0.71073","MoKα","","0.1298","0.0446","","","0.0817","0.1045","","","","","","0.946","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234324","17.2444","0.0009","10.8583","0.0005","16.5268","0.0008","90","","90","","90","","3094.6","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(guanidinium) tris(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zirconate(II) tetrahydrate","","- C23 H29 N9 O16 Zr -","- C23 H29 N9 O16 Zr -","- C92 H116 N36 O64 Zr4 -","4","0.5","LH5430","Tabatabaee, Masoumeh; Adineh, Mahnaz; Derikvand, Zohreh; Attar Gharamaleki, Jafar","Bis(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zirconate(II) tetrahydrate","Acta Crystallographica Section E","2012","68","4","m462","m463","10.1107/S1600536812011439","","","0.71073","MoKα","","0.0815","0.0559","","","0.1274","0.1459","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234325","7.6603","0.0003","15.7249","0.0006","20.8434","0.0008","90","","94.069","0.002","90","","2504.41","0.17","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","3β-Chloro-5α-cholestan-6-one","","- C27 H45 Cl O -","- C27 H45 Cl O -","- C108 H180 Cl4 O4 -","4","2","LH5434","Yusufzai, Samina Khan; Osman, Hasnah; Rahim, Aisyah Saad Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Chloro-5α-cholestan-6-one","Acta Crystallographica Section E","2012","68","4","o1211","o1212","10.1107/S1600536812012482","","","0.71073","MoKα","","0.098","0.0666","","","0.1598","0.1789","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234326","11.735","0.006","7.698","0.004","17.065","0.007","90","","110.45","0.03","90","","1444.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-2-(1<i>H</i>-1,2,4- triazol-1-yl)prop-2-en-1-one","","- C17 H10 F3 N3 O -","- C17 H10 F3 N3 O -","- C68 H40 F12 N12 O4 -","4","1","LH5435","Yin, Ben-Tao; Lv, Jing-Song; Wang, Yan; Zhou, Cheng-He","(<i>Z</i>)-1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1197","","10.1107/S1600536812012123","","","0.71073","MoKα","","0.0601","0.0417","","","0.0895","0.0996","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234327","7.983","0.006","10.188","0.008","11.691","0.005","83.13","0.05","79.01","0.05","78.27","0.06","910.7","1.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ^3^-benzo[<i>d</i>][1,2]iodoxole","","- C9 H10 F I O -","- C9 H10 F I O -","- C36 H40 F4 I4 O4 -","4","2","LH5436","Legault, Claude Y.; Prévost, Julie","1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ^3^-benzo[<i>d</i>][1,2]iodoxole","Acta Crystallographica Section E","2012","68","4","o1238","","10.1107/S1600536812012822","","","0.71073","MoKα","","0.0407","0.0295","","","0.0701","0.0732","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234328","8.3321","0.0004","19.4037","0.0011","27.5887","0.0014","90","","90","","90","","4460.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Acetyl-<i>N</i>-[2,4-dicyano-1-(4-methoxyphenyl)-9,10- dihydrophenanthren-3-yl]acetamide","","- C27 H21 N3 O3 -","- C27 H21 N3 O3 -","- C216 H168 N24 O24 -","8","1","LH5437","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Thabaiti, Shaeel A.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-Acetyl-<i>N</i>-[2,4-dicyano-1-(4-methoxyphenyl)-9,10-dihydrophenanthren-3-yl]acetamide","Acta Crystallographica Section E","2012","68","4","o1177","o1178","10.1107/S160053681201210X","","","0.71073","MoKα","","0.0933","0.0608","","","0.1419","0.1664","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234329","13.684","0.003","9.3612","0.0019","9.758","0.002","90","","94.03","0.03","90","","1246.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-3-(morpholin-4-yl)urea","","- C11 H14 Cl N3 O2 -","- C11 H14 Cl N3 O2 -","- C44 H56 Cl4 N12 O8 -","4","1","LH5438","Li, Yu-Feng; Jiang, Jin-He","1-(4-Chlorophenyl)-3-(morpholin-4-yl)urea","Acta Crystallographica Section E","2012","68","4","o1219","","10.1107/S1600536812012615","","","0.71073","MoKα","","0.099","0.0448","","","0.1251","0.1801","","","","","","1.172","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234330","9.3808","0.0019","10.925","0.002","23.54","0.005","90","","90","","90","","2412.5","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Cyclohexylpyrrolidine-1-carbothioamide","","- C11 H20 N2 S -","- C11 H20 N2 S -","- C88 H160 N16 S8 -","8","1","LH5439","Li, Yu-Feng","<i>N</i>-Cyclohexylpyrrolidine-1-carbothioamide","Acta Crystallographica Section E","2012","68","4","o1220","","10.1107/S1600536812012627","","","0.71073","MoKα","","0.0826","0.0531","","","0.1653","0.1903","","","","","","1.183","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234331","7.17","0.0002","9.94","0.0002","12.2508","0.0003","83.484","0.001","77.907","0.001","85.707","0.001","847.05","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran","","- C18 H17 Cl O3 S -","- C18 H17 Cl O3 S -","- C36 H34 Cl2 O6 S2 -","2","1","LR2052","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o942","","10.1107/S1600536812008525","","","0.71073","MoKα","","0.054","0.0463","","","0.1246","0.1317","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234332","6.1701","0.0001","11.667","0.0002","12.1123","0.0003","112.965","0.001","99.114","0.001","103.698","0.001","748.7","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Cl O2 S -","- C17 H15 Cl O2 S -","- C34 H30 Cl2 O4 S2 -","2","1","LR2053","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o943","","10.1107/S1600536812008537","","","0.71073","MoKα","","0.0375","0.0341","","","0.0937","0.0963","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234333","11.7112","0.0013","13.5403","0.0015","14.1328","0.0011","90","","124.483","0.006","90","","1847.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>; κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aqua(nitrato-κ<i>O</i>)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]","","- C38 H30 N6 O12 Pb2 -","- C38 H30 N6 O12 Pb2 -","- C76 H60 N12 O24 Pb4 -","2","0.5","LR2055","Cheng, Yuanzheng; Yan, Fang; Shi, Weiwei; Zhang, Liping","Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aqua(nitrato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]","Acta Crystallographica Section E","2012","68","4","m528","m529","10.1107/S1600536812012974","","","0.71073","MoKα","","0.0277","0.0218","","","0.0488","0.0511","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234334","10.8763","0.0003","13.3802","0.0003","13.992","0.0004","102.359","0.002","103.585","0.002","105.137","0.002","1826.44","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate","","- C40 H34 N6 O11 Zn -","- C40 H34 N6 O11 Zn -","- C80 H68 N12 O22 Zn2 -","2","1","MW2050","Mirzaei, M.; Eshtiagh-Hosseini, H.; Eydizadeh, E.; Yousefi, Z.; Molčanov, K.","Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate","Acta Crystallographica Section E","2012","68","4","m355","m356","10.1107/S1600536812005764","","","1.54184","CuKα","","","0.0323","","","","0.0908","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234335","10.149","0.005","6.715","0.003","13.08","0.005","90","","104.397","0.004","90","","863.4","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(pyrazine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)cobalt(II) dinitrate","","- C10 H14 Co N8 O10 -","- C10 H14 Co N8 O10 -","- C20 H28 Co2 N16 O20 -","2","0.5","MW2053","Pannu, Ajay Pal Singh; Lee, Seona; Lee, Yongjae","Diaquabis(pyrazine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)cobalt(II) dinitrate","Acta Crystallographica Section E","2012","68","4","m512","m513","10.1107/S1600536812012573","","","0.71069","MoKα","","0.0349","0.033","","","","0.0971","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234336","9.0503","0.0002","17.8711","0.0004","13.9552","0.0003","90","","102.133","0.001","90","","2206.68","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[(2-bromophenyl)diphenylphosphane- κ<i>P</i>]carbonylrhodium(I)","","- C24 H21 Br O3 P Rh -","- C24 H21 Br O3 P Rh -","- C96 H84 Br4 O12 P4 Rh4 -","4","1","MW2054","Davis, Wade L.; Meijboom, Reinout","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[(2-bromophenyl)diphenylphosphane-κ<i>P</i>]carbonylrhodium(I)","Acta Crystallographica Section E","2012","68","4","m482","","10.1107/S1600536812011944","","","1.54178","CuKα","","0.0193","0.0192","","","0.0466","0.0467","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234337","19.8389","0.0004","6.35013","0.0001","12.3827","0.0002","90","","107.407","0.002","90","","1488.53","0.05","199","1","199","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetrafluoro-1,4-bis(trimethylsilyl)benzene","","- C12 H18 F4 Si2 -","- C12 H18 F4 Si2 -","- C48 H72 F16 Si8 -","4","1","MW2055","Finze, Maik; Reiss, Guido J.; Frohn, Hermann-Josef","2,3,5,6-Tetrafluoro-1,4-bis(trimethylsilyl)benzene","Acta Crystallographica Section E","2012","68","4","o1082","","10.1107/S1600536812010677","","","0.71073","MoKα","","0.0287","0.027","","","0.0673","0.0684","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234338","7.4115","0.0015","7.9727","0.0016","8.7948","0.0018","66.43","0.03","82.14","0.03","85.78","0.03","471.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Allylmorpholin-4-ium bromide","","- C7 H14 Br N O -","- C7 H14 Br N O -","- C14 H28 Br2 N2 O2 -","2","1","MW2056","Han, Meng Ting","4-Allylmorpholin-4-ium bromide","Acta Crystallographica Section E","2012","68","4","o1089","","10.1107/S1600536812010793","","","0.71073","MoKα","","0.051","0.0392","","","0.0923","0.0987","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234339","7.9004","0.0002","10.9961","0.0003","29.2289","0.0008","90","","90","","90","","2539.22","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranoside","","- C23 H30 O12 -","- C23 H30 O12 -","- C92 H120 O48 -","4","1","MW2057","Zipp, Caitlin F.; Fernandes, Manuel; Marques, Helder M.; Michael, Joseph P.","4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2012","68","4","o1202","","10.1107/S160053681201121X","","","0.71073","MoKα","","0.0614","0.0424","","","0.0948","0.1016","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234340","13.567","0.003","11.572","0.003","15.595","0.004","90","","92.54","0.003","90","","2446","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{μ-2-[3-carboxylatomethyl-4-(phenylsulfanyl)phenyl]propanoato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}bis[(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')cadmium]","","- C54 H44 Cd2 N4 O8 S2 -","- C54 H44 Cd2 N4 O8 S2 -","- C108 H88 Cd4 N8 O16 S4 -","2","0.5","MW2060","Li, Long; Ding, Yu-Qiu; Diao, Kai-Sheng","Bis{μ-2-[3-carboxylatomethyl-4-(phenylsulfanyl)phenyl]propanoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]","Acta Crystallographica Section E","2012","68","4","m511","","10.1107/S1600536812013049","","","0.71073","MoKα","","0.0551","0.0363","","","0.0826","0.0897","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2234341","5.1912","0.001","7.3362","0.0015","8.076","0.0016","72.38","0.03","73.35","0.03","72.06","0.03","272.47","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(pyrazine-2-carboxylato)copper(II)]-μ- pyrazine-2-carboxylato]","","- C11.12 H7.12 Cu N2.88 O4 -","- C11.12 H7.12 Cu N2.88 O4 -","- C11.12 H7.12 Cu N2.88 O4 -","1","0.5","MW2061","Albanez, Joselyn; Brito, Iván; Cárdenas, Alejandro; López-Rodríguez, Matías","Disorder in the anionic part of <i>catena</i>-poly[[(pyrazine-2-carboxylato)copper(II)]-μ-pyrazine-2-carboxylato]","Acta Crystallographica Section E","2012","68","4","m498","m499","10.1107/S1600536812012378","","","0.71073","MoKα","","0.0223","0.0216","","","0.0583","0.0588","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234342","10.6415","0.0008","7.337","0.0006","11.16","0.001","90","","107.38","0.005","90","","831.55","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Alloxan-5-thiosemicarbazone","1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)thiosemicarbazide","","- C5 H5 N5 O3 S -","- C5 H5 N5 O3 S -","- C20 H20 N20 O12 S4 -","4","1","NC2271","Bittencourt, Viviane C. D.; Gervini, Vanessa Carratu; Bresolin, Leandro; Locatelli, Aline; de Oliveira, Adriano Bof","1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","4","o1187","","10.1107/S1600536812012007","","","0.71073","MoKα","","0.1435","0.0555","","","0.1132","0.1478","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234343","8.4865","0.0001","10.0846","0.0002","16.829","0.0003","90","","90","","90","","1440.28","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>)-3-methyl-2-phenyl- 2,3-dihydrothiazolo[2,3-<i>b</i>]quinazolin-5-one","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","NK2145","Ghorab, Mostafa. M.; Al-Said, Mansour. S.; Abdel-Kader, Maged. S.; Hemamalini, Madhukar; Fun, Hoong-Kun","Absolute configuration of (1<i>S</i>,2<i>S</i>)-3-methyl-2-phenyl-2,3-dihydrothiazolo[2,3-<i>b</i>]quinazolin-5-one","Acta Crystallographica Section E","2012","68","4","o927","o928","10.1107/S160053681200832X","","","1.54178","CuKα","","0.0442","0.043","","","0.1076","0.1089","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234344","4.9542","0.0014","6.4194","0.0018","8.418","0.002","79.29","0.004","79.351","0.004","88.64","0.004","258.51","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1,4-Phenylenebis(methylene) dicarbamate","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","1","0.5","NK2147","Li, Zhi","1,4-Phenylenebis(methylene) dicarbamate","Acta Crystallographica Section E","2012","68","4","o1227","","10.1107/S1600536812012718","","","0.71073","MoKα","","0.0439","0.0379","","","0.0947","0.0998","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234345","7.611","0.002","13.394","0.004","22.552","0.007","75.012","0.004","84.682","0.004","79.067","0.004","2178.2","1.1","100","","100","","","","","","","","","3","P -1","-P 1","2","4,16-dibromo-8,12-dibutyltetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca- 1(10),2(7),3,5,8,11,13(18),14,16-nonaene","2,11-Dibromo-5,8-dibutyl[4]helicene","","- C26 H26 Br2 -","- C26 H26 Br2 -","- C104 H104 Br8 -","4","2","NK2148","Isobe, Hiroyuki; Matsuno, Taisuke; Hitosugi, Shunpei; Nakanishi, Waka","2,11-Dibromo-5,8-dibutyl[4]helicene","Acta Crystallographica Section E","2012","68","4","o1239","","10.1107/S1600536812013141","","","0.71073","MoKα","","0.0536","0.0322","","","0.064","0.0693","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234346","8.0145","0.0005","8.9218","0.0006","13.0874","0.0008","91.65","0.03","99.65","0.03","115.091","0.01","830.26","0.16","296","1","296","1","","","","","","","","5","P -1","-P 1","2","9-fluoro-2,3-dihydro-3-methyl-10-(4-methylpiperazin-1-yl)- 7-oxo-7<i>H</i>-pyrido[1,2,3-<i>ij</i>][1,2,4]benzoxadiazine-6-carboxylic acid","7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2- diazatricyclo[7.3.1.0^5,13^]trideca-5,7,9(13),11-tetraene-11-carboxylic acid","","- C17 H19 F N4 O4 -","- C17 H19 F N4 O4 -","- C34 H38 F2 N8 O8 -","2","1","NR2019","Shen, Jin; Qian, Jing-Jing; Gu, Jian-Ming; Hu, Xiu-Rong","Marbofloxacin","Acta Crystallographica Section E","2012","68","4","o998","o999","10.1107/S1600536812009312","","","0.71073","MoKα","","0.1267","0.0554","","","0.1241","0.2025","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234347","7.4419","0.0004","18.4394","0.0008","8.3517","0.0004","90","","108.301","0.005","90","","1088.09","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","(<i>R</i>)-Doxylaminium (<i>R</i>,<i>R</i>)-tartrate","(<i>R</i>)-dimethyl{2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl}azanium (<i>R</i>,<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate","","- C21 H28 N2 O7 -","- C21 H28 N2 O7 -","- C42 H56 N4 O14 -","2","1","NR2021","Dayananda, A.S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej","(<i>R</i>)-Doxylaminium (<i>R</i>,<i>R</i>)-tartrate","Acta Crystallographica Section E","2012","68","4","o1054","o1055","10.1107/S160053681200935X","","","0.7107","MoKα","","0.0406","0.0354","","","0.0752","0.079","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234348","10.249","0.002","10.619","0.002","10.752","0.002","64.14","0.03","67.34","0.03","80.36","0.03","971.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Cu2 N2 O8 -","- C42 H38 Cu2 N2 O8 -","- C42 H38 Cu2 N2 O8 -","1","0.5","PK2382","Guo, Qian; Wang, Ping; Liu, Fu-Chen","Tetra-μ-benzoato-bis[(3,5-dimethylpyridine)copper(II)]","Acta Crystallographica Section E","2012","68","4","m437","","10.1107/S1600536812008604","","","0.71073","MoKα","","0.1075","0.0668","","","0.1421","0.162","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234349","12.2113","0.0007","7.3439","0.0005","16.365","0.001","90","","100.616","0.004","90","","1442.47","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloridobis[(ferrocenylmethylidene)(furan-2-ylmethyl)amine-κ<i>N</i>] palladium(II)","","- C32 H30 Cl2 Fe2 N2 O2 Pd -","- C32 H30 Cl2 Fe2 N2 O2 Pd -","- C64 H60 Cl4 Fe4 N4 O4 Pd2 -","2","0.5","PK2391","Motswainyana, William M.; Onani, Martin O.; Lalancette, Roger A.","Dichloridobis[(ferrocenylmethylidene)(furan-2-ylmethyl)amine-κ<i>N</i>]palladium(II)","Acta Crystallographica Section E","2012","68","4","m387","","10.1107/S1600536812009191","","","1.54178","CuKα","","0.071","0.043","","","0.096","0.109","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234350","17.9615","0.0005","11.2633","0.0003","19.5904","0.0006","90","","90","","90","","3963.3","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)- 3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C192 H152 N8 O48 S8 -","8","1","PK2393","Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Siddiqui, Waseeq Ahmad; Parvez, Masood","3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione","Acta Crystallographica Section E","2012","68","4","o978","o979","10.1107/S1600536812009002","","","0.71073","MoKα","","0.1046","0.0684","","","0.114","0.1329","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234351","10.2562","0.0003","10.9602","0.0003","11.3861","0.0004","116.546","0.0015","105.322","0.0013","97.2383","0.0014","1059.17","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)- 2<i>H</i>-1λ^6^,2-benzothiazine-1,1-dione","","- C24 H18 Cl N O6 S -","- C24 H18 Cl N O6 S -","- C48 H36 Cl2 N2 O12 S2 -","2","1","PK2394","Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Siddiqui, Waseeq Ahmad; Parvez, Masood","2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)-2<i>H</i>-1λ^6^,2-benzothiazine-1,1-dione","Acta Crystallographica Section E","2012","68","4","o980","o981","10.1107/S1600536812009014","","","0.71073","MoKα","","0.0436","0.0381","","","0.0958","0.1016","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234352","7.2656","0.0002","11.4237","0.0004","12.8997","0.0005","97.147","0.002","96.934","0.002","91.166","0.002","1053.91","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2<i>H</i>- 1λ^6^,2-benzothiazin-2-yl]ethanone","","- C24 H18 Cl N O6 S -","- C24 H18 Cl N O6 S -","- C48 H36 Cl2 N2 O12 S2 -","2","1","PK2395","Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Ashraf, Chaudhary Muhammad; Parvez, Masood","1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl]ethanone","Acta Crystallographica Section E","2012","68","4","o1058","o1059","10.1107/S160053681201029X","","","0.71073","MoKα","","0.0732","0.0543","","","0.0992","0.1109","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234353","11.8823","0.0014","7.8835","0.0009","24.835","0.003","90","","90","","90","","2326.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3,6-diiodo-9H-carbazole","3,6-Diiodo-9<i>H</i>-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C96 H56 I16 N8 -","8","1","PK2397","Xie, Yu-Zhong; Jin, Jing-Yi; Jin, Guang-De","3,6-Diiodo-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","4","o1242","","10.1107/S1600536812012901","","","0.71073","MoKα","","0.04","0.0256","","","0.0482","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234354","7.8228","0.0002","11.5596","0.0003","19.2421","0.0013","90","","97.384","0.007","90","","1725.6","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Chloro-4-[(7-chloroquinolin-4-yl)sulfanyl]quinoline dihydrate","","- C18 H14 Cl2 N2 O2 S -","- C18 H14 Cl2 N2 O2 S -","- C72 H56 Cl8 N8 O8 S4 -","4","1","PK2399","Wardell, James L.; Tiekink, Edward R. T.","7-Chloro-4-[(7-chloroquinolin-4-yl)sulfanyl]quinoline dihydrate","Acta Crystallographica Section E","2012","68","4","o1117","","10.1107/S1600536812011087","","","0.71073","MoKα","","0.0309","0.0271","","","0.0738","0.0761","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234355","10.3721","0.0019","20.666","0.004","9.1954","0.0018","90","","104.365","0.005","90","","1909.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(7-oxo-3,5-diphenyl-1,4-diazepan-2-yl)acetate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","PV2512","Jagadeesan, G.; Sethusankar, K.; Selvakumar, P.; Thennarasu, S.; Mandal, A. B.","Ethyl 2-(7-oxo-3,5-diphenyl-1,4-diazepan-2-yl)acetate","Acta Crystallographica Section E","2012","68","4","o1034","","10.1107/S160053681200757X","","","0.71073","MoKα","","0.0876","0.0536","","","0.1362","0.1628","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234356","12.1879","0.0017","12.2371","0.0015","13.6798","0.0017","83.971","0.01","86.919","0.011","87.744","0.01","2024.9","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenylpyridine-2,6-dicarboxamide","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","2","PV2514","Klepetářová, Blanka; Makrlík, Emanuel; Babain, Vasily A.; Kašička, Václav","<i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenylpyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2012","68","4","o1099","o1100","10.1107/S1600536812009026","","","1.54184","CuKα","","0.1223","0.0586","","0.1063","0.0618","0.0618","","","","","","1.1414","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234357","8.5045","0.0009","7.2551","0.0008","21.556","0.002","90","","94.72","0.002","90","","1325.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,6,8-tribromo-7-ethylamino-4-methyl-2H-chromen-2-one","3,6,8-Tribromo-7-ethylamino-4-methyl-2<i>H</i>-chromen-2-one","","- C12 H10 Br3 N O2 -","- C12 H10 Br3 N O2 -","- C48 H40 Br12 N4 O8 -","4","1","PV2515","Zhang, Ting; Xi, Hai-tao; Miao, Chun-bao; Chen, Liang; Sun, Xiao-qiang","3,6,8-Tribromo-7-ethylamino-4-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2012","68","4","o1013","","10.1107/S1600536812009221","","","0.71073","MoKα","","0.0435","0.0316","","","0.0929","0.0985","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234358","4.0956","0.0005","13.3066","0.0017","13.3656","0.0016","90","","92.711","0.007","90","","727.59","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4',5-dichloro-2-hydroxy-4,6-dimethylbiphenyl-3-carboxylate","","- C16 H14 Cl2 O3 -","- C16 H14 Cl2 O3 -","- C32 H28 Cl4 O6 -","2","1","PV2517","Adeel, Muhammad; Langer, Peter; Hein, Martin; Reinke, Helmut","Methyl 4',5-dichloro-2-hydroxy-4,6-dimethylbiphenyl-3-carboxylate","Acta Crystallographica Section E","2012","68","4","o1224","","10.1107/S1600536812012676","","","0.71073","MoKα","","0.0385","0.0302","","","0.07","0.0742","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234359","7.5363","0.0019","18.178","0.005","16.973","0.004","90","","94.465","0.005","90","","2318.2","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)- 2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C26 H26 N2 O6 S -","- C26 H26 N2 O6 S -","- C104 H104 N8 O24 S4 -","4","1","PV2518","Banu, Noor Afshan; Bheema Raju, V.","Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","4","o1213","","10.1107/S1600536812012354","","","0.71073","MoKα","","0.0903","0.058","","","0.1403","0.1677","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234360","18.33","0.003","14.412","0.003","9.1915","0.0017","90","","115.044","0.002","90","","2199.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(azido-κ<i>N</i>)bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine- κ^2^<i>N</i>^1^,<i>N</i>^6^]manganese(II)","","- C16 H16 Mn N18 -","- C16 H16 Mn N18 -","- C64 H64 Mn4 N72 -","4","0.5","PV2519","Wang, Kun-Miao; Liu, Zhi-Hua; Zheng, Qi; Liu, Chun-Bo; Miao, Ming-Ming","Bis(azido-κ<i>N</i>)bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine-κ^2^<i>N</i>^1^,<i>N</i>^6^]manganese(II)","Acta Crystallographica Section E","2012","68","4","m427","","10.1107/S160053681201046X","","","0.71073","MoKα","","0.0955","0.0464","","","0.088","0.1056","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234361","14.554","0.004","8.836","0.002","11.563","0.003","90","","105.427","0.006","90","","1433.4","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl 2-bromobenzoate","","- C13 H12 Br N3 O4 -","- C13 H12 Br N3 O4 -","- C52 H48 Br4 N12 O16 -","4","1","PV2520","Zeb, Aurang; Yousuf, Sammer; Basha, Fatima Z.","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl 2-bromobenzoate","Acta Crystallographica Section E","2012","68","4","o1218","","10.1107/S1600536812012688","","","0.71073","MoKα","","0.0588","0.0421","","","0.1026","0.1136","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234362","9.851","0.002","23.461","0.006","9.416","0.002","90","","111.229","0.005","90","","2028.5","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(2-bromobenzylidene)-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro- 5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C22 H17 Br N2 O4 S -","- C22 H17 Br N2 O4 S -","- C88 H68 Br4 N8 O16 S4 -","4","1","PV2521","Nagarajaiah, H.; Fathima, Nikhath; Begum, Noor Shahina","Methyl 2-(2-bromobenzylidene)-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","4","o1257","o1258","10.1107/S1600536812013311","","","0.71073","MoKα","","0.112","0.0588","","","0.1394","0.1779","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234363","4.9934","0.0013","6.7454","0.0017","12.446","0.003","97.572","0.012","100.524","0.013","98.933","0.013","401.59","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-3-carboxy-1<i>H</i>-1,2,4-triazol-4-ium nitrate monohydrate","","- C3 H7 N5 O6 -","- C3 H7 N5 O6 -","- C6 H14 N10 O12 -","2","1","PV2522","Berrah, Fadila; Bouchene, Rafika; Bouacida, Sofiane; Roisnel, Thierry","5-Amino-3-carboxy-1<i>H</i>-1,2,4-triazol-4-ium nitrate monohydrate","Acta Crystallographica Section E","2012","68","4","o1116","","10.1107/S1600536812011154","","","0.71073","MoKα","","0.0478","0.0404","","","0.1025","0.1085","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234364","41.307","0.004","4.5993","0.0003","12.2229","0.0013","90","","93.653","0.012","90","","2317.4","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[<i>N</i>-(4-{4-[(2-Hydroxy-5- methoxybenzylidene)amino]benzyl}phenyl)carboximidoyl]-4-methoxyphenol","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C116 H104 N8 O16 -","4","0.5","QK2024","Ourari, Ali; Baameur, Lotfi; Bouet, Gilles; Allain, Magali","2-[<i>N</i>-(4-{4-[(2-Hydroxy-5-methoxybenzylidene)amino]benzyl}phenyl)carboximidoyl]-4-methoxyphenol","Acta Crystallographica Section E","2012","68","4","o1141","","10.1107/S1600536812010550","","","0.71073","MoKα","","0.052","0.0387","","","0.1102","0.1163","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234365","6.5324","0.0007","11.7519","0.0012","17.4204","0.0018","90","","97.723","0.002","90","","1325.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 2,2-dimethoxy-8-oxo-1-oxaspiro[4.5]deca-6,9-diene-3-carboxylate","","- C13 H16 O6 -","- C13 H16 O6 -","- C52 H64 O24 -","4","1","QK2030","Lou, Yongbing","Methyl 2,2-dimethoxy-8-oxo-1-oxaspiro[4.5]deca-6,9-diene-3-carboxylate","Acta Crystallographica Section E","2012","68","4","o1152","","10.1107/S1600536812011737","","","0.71073","MoKα","","0.0561","0.0479","","","0.1316","0.1399","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234366","15.339","0.003","5.704","0.0008","22.786","0.004","90","","107.166","0.002","90","","1904.8","0.6","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]- 4,5-dihydro-1,3-oxazole","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","QK2035","Caracelli, Ignez; Zukerman-Schpector, Julio; Villar, José A. F. P.; Oliveira, Alfredo R. M.; Tiekink, Edward R. T.","4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2012","68","4","o1225","o1226","10.1107/S1600536812012512","","","0.71073","MoKα","","0.05","0.047","","","0.112","0.114","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234367","7.9919","0.0011","9.3696","0.0014","14.195","0.002","94.525","0.012","103.687","0.012","103.252","0.012","995.2","0.3","296","1","296","1","101","2","","","","","","4","P -1","-P 1","2","9-(Dicyanomethylidene)fluorene; tetrathiafulvalene","9-(Dicyanomethylidene)fluorene‒2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiole (1/1)","","- C22 H12 N2 S4 -","- C22 H12 N2 S4 -","- C44 H24 N4 S8 -","2","1","QM2055","Salmerón-Valverde, Amparo; Bernès, Sylvain","9-(Dicyanomethylidene)fluorene‒tetrathiafulvalene (1/1)","Acta Crystallographica Section E","2012","68","4","o932","","10.1107/S1600536812008124","","","0.71073","MoKα","","0.1405","0.0481","","","0.089","0.1189","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234368","9.3329","0.0019","13.561","0.003","16.894","0.003","90","","100.7","0.03","90","","2101","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-6,6'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'- carboxy-2,2'-bipyridine-6-carboxylato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)cobalt(III)","","- C24 H13 Co N4 O8 -","- C24 H13 Co N4 O8 -","- C96 H52 Co4 N16 O32 -","4","1","QM2056","Wang, Huimin; Gu, Xiaojun; Zhang, Bingbing; Su, Haiquan","(2,2'-Bipyridine-6,6'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)cobalt(III)","Acta Crystallographica Section E","2012","68","4","m411","m412","10.1107/S1600536812009816","","","0.71073","MoKα","","0.0453","0.0382","","","0.0872","0.0912","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234369","7.6498","0.0015","14.338","0.003","16.884","0.002","90","","103.076","0.002","90","","1803.9","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(3,5-Dichloro-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide methanol monosolvate","","- C17 H19 Cl2 N3 O3 -","- C17 H19 Cl2 N3 O3 -","- C68 H76 Cl8 N12 O12 -","4","1","QM2057","Xu, Huanzhi; Sun, Jingya","<i>N</i>'-(3,5-Dichloro-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1042","","10.1107/S1600536812010148","","","0.71073","MoKα","","0.1423","0.0785","","","0.1564","0.1802","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234370","7.3677","0.0015","8.1353","0.0016","15.107","0.003","90","","90","","90","","905.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato- κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]","","- C6 H8 O8 Zn -","- C6 H8 O8 Zn -","- C24 H32 O32 Zn4 -","4","0.5","QM2058","Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan","<i>catena</i>-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato-κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","4","m500","","10.1107/S1600536812012111","","","0.71073","MoKα","","0.0857","0.0825","","","0.2212","0.2238","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234371","10.741","0.0013","10.1175","0.001","10.1874","0.0011","90","","94.488","0.004","90","","1103.7","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dioxin- 2-ium tetrafluoroborate","","- C6 H7 B F4 O2 S3 -","- C6 H7 B F4 O2 S3 -","- C24 H28 B4 F16 O8 S12 -","4","1","RK2328","Zhou, Guoquan; Chen, Xinzhi","2-Methylsulfanyl-5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dioxin-2-ium tetrafluoroborate","Acta Crystallographica Section E","2012","68","4","o949","","10.1107/S1600536812005326","","","0.71075","MoKα","","0.073","0.0633","","","0.1665","0.1743","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234372","18.646","0.004","12.068","0.002","10.741","0.002","90","","120.76","0.03","90","","2076.9","0.9","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)]- μ-2,3,5,6-tetrachloroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C14 H12 Cl4 Co N4 O6 -","- C14 H12 Cl4 Co N4 O6 -","- C56 H48 Cl16 Co4 N16 O24 -","4","0.5","RK2332","Zheng, Chang-Ge; Zhang, Peng; Li, Ping; Zhang, Pei-Pei","<i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)]-μ-2,3,5,6-tetrachloroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section E","2012","68","4","m368","","10.1107/S1600536812005429","","","0.71073","MoKα","","0.0439","0.0321","","","0.0725","0.0781","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234373","7.318","0.005","9.06","0.005","12.011","0.005","87.196","0.005","80.477","0.005","83.795","0.005","780.4","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-chlorophenyl)-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile","","- C17 H14 Cl N5 -","- C16.999 H14 Cl N5 -","- C33.998 H28 Cl2 N10 -","2","1","RK2335","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Vasuki, Gnanasambandam","2-Amino-4-(4-chlorophenyl)-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o1000","","10.1107/S1600536812009051","","","0.71073","MoKα","","0.0915","0.0421","","","0.0877","0.0966","","","","","","0.854","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2234374","6.6446","0.0013","8.0106","0.0016","12.847","0.003","90.51","0.03","101.85","0.03","107.76","0.03","635.5","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","2-[1-(1-Phenylethyl)imidazolidin-2-ylidene]malononitrile","2-[1-(1-Phenylethyl)imidazolidin-2-ylidene]propanedinitrile","","- C14 H14 N4 -","- C14 H14 N4 -","- C28 H28 N8 -","2","1","RK2338","Liu, Xiao-Wei; Xu, Liang-Zhong","2-[1-(1-Phenylethyl)imidazolidin-2-ylidene]malononitrile","Acta Crystallographica Section E","2012","68","4","o1203","","10.1107/S1600536812010823","","","0.71073","MoKα","","0.0623","0.0437","","","0.1189","0.1446","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234375","21.2631","0.0011","30.0347","0.0016","8.6228","0.0005","90","","90","","90","","5506.8","0.5","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilinido- κ^2^<i>N</i>,<i>N</i>'}nickel(II)","","- C24 H42 N4 Ni Si2 -","- C24 H42 N4 Ni Si2 -","- C192 H336 N32 Ni8 Si16 -","8","0.5","RK2340","Chen, Juan; Li, Jing","Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilinido-κ^2^<i>N</i>,<i>N</i>'}nickel(II)","Acta Crystallographica Section E","2012","68","4","m357","","10.1107/S1600536812008550","","","0.71073","MoKα","","0.0462","0.0399","","","0.1001","0.1041","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234376","26.17","0.004","26.17","0.004","5.7775","0.0016","90","","90","","90","","3956.8","1.4","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","1-(2-Hydroxyethyl)-3-phenylthiourea","","- C9 H12 N2 O S -","- C9 H12 N2 O S -","- C144 H192 N32 O16 S16 -","16","1","RK2342","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Potgieter, Herman","1-(2-Hydroxyethyl)-3-phenylthiourea","Acta Crystallographica Section E","2012","68","4","o1162","","10.1107/S160053681201183X","","","0.71073","MoKα","","0.0679","0.0478","","","0.1027","0.1096","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234377","7.696","0.003","22.658","0.008","16.03","0.006","90","","90","","90","","2795.2","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Bromobutyl)-9<i>H</i>-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","RK2343","Wang, Qing-Peng; Chang, Juan-Juan; Zhang, Hui-Zhen; Lv, Jing-Song; Zhou, Cheng-He","9-(4-Bromobutyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","4","o1112","","10.1107/S1600536812010987","","","0.71073","MoKα","","0.1193","0.0496","","","0.1177","0.1452","","","","","","0.974","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234378","8.2295","0.0002","17.0921","0.0006","9.1683","0.0003","90","","109.22","0.001","90","","1217.73","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(methacrylato-κ<i>O</i>)bis(2,4,6-trimethylpyridine-κ<i>N</i>)copper(II)","","- C24 H32 Cu N2 O4 -","- C24 H32 Cu N2 O4 -","- C48 H64 Cu2 N4 O8 -","2","0.5","RN2095","Ejaz; Khan, Islam Ullah; Murtaza, Alina; Harrison, William T. A.","Bis(methacrylato-κ<i>O</i>)bis(2,4,6-trimethylpyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2012","68","4","m469","m470","10.1107/S1600536812009919","","","0.71073","MoKα","","0.0423","0.0315","","","0.0919","0.0981","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234379","14.5648","0.0003","12.9374","0.0003","16.1619","0.0003","90","","103.9","0.001","90","","2956.22","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cinnarizinium 3,5-dinitrosalicylate","4-diphenylmethyl-1-(3-phenylprop-2-en-1-yl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C33 H32 N4 O7 -","- C33 H32 N4 O7 -","- C132 H128 N16 O28 -","4","1","RN2101","Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Cinnarizinium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2012","68","4","o1165","o1166","10.1107/S1600536812011518","","","0.71073","MoKα","","0.062","0.0508","","","0.1383","0.1484","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234380","7.893","0.002","7.034","0.002","12.166","0.004","90","","101.154","0.003","90","","662.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","RN2102","Gao, Xue; Chen, Gang","5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide","Acta Crystallographica Section E","2012","68","4","o1208","","10.1107/S1600536812012470","","","0.71073","MoKα","","0.0427","0.036","","","0.0799","0.0835","","","","","","1.082","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234381","13.014","0.002","24.17","0.003","5.088","0.0009","90","","90","","90","","1600.4","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","trisodium tetraniobium triarsenic nonadecaoxide","","- As3 Na3 Nb4 O19 -","- As3 Na3.001 Nb4 O19 -","- As12 Na12.004 Nb16 O76 -","4","0.5","RU2026","Chérif, Saïda Fatma; Hizaoui, Khaled; Zid, Mohamed Faouzi; Driss, Ahmed","Non-centrosymmetric Na~3~Nb~4~As~3~O~19~","Acta Crystallographica Section E","2012","68","4","i25","i26","10.1107/S1600536812010537","","","0.71073","MoKα","","0.0408","0.0288","","","0.0712","0.0763","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234382","11.4406","0.0005","10.0256","0.0004","22.3155","0.001","90","","92.91","0.001","90","","2556.26","0.19","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(Prop-2-ynyl)-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepine","","- C17 H13 N -","- C17 H13 N -","- C136 H104 N8 -","8","2","RZ2705","Yousuf, S.; Khan, M.; Fazal, S.; Butt, M.; Basha, F. Z.","5-(Prop-2-ynyl)-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepine","Acta Crystallographica Section E","2012","68","4","o1101","","10.1107/S1600536812007866","","","0.71073","MoKα","","0.0895","0.0476","","","0.1084","0.1289","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234383","7.8281","0.0016","8.4873","0.0017","10.054","0.002","80.35","0.03","77.72","0.03","79.46","0.03","635.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-nitrito-κ^2^<i>O</i>:<i>O</i>)bis[bis(1-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)(nitrito-κ<i>O</i>)copper(II)]","","- C16 H24 Cu2 N12 O8 -","- C16 H24 Cu2 N12 O8 -","- C16 H24 Cu2 N12 O8 -","1","0.5","RZ2715","Zhu, Run-Qiang","Bis(μ-nitrito-κ^2^<i>O</i>:<i>O</i>)bis[bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(nitrito-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2012","68","4","m398","","10.1107/S1600536812009804","","","0.71073","MoKα","","0.0466","0.0368","","","0.0868","0.0909","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234384","7.6114","0.0014","12.01","0.002","15.317","0.003","84.546","0.003","85.927","0.002","72.435","0.003","1327.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dimethyl-1-(4-nitrobenzyl)pyridinium bis(benzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)","","- C26 H23 N2 Ni O2 S4 -","- C26 H23 N2 Ni O2 S4 -","- C52 H46 N4 Ni2 O4 S8 -","2","1","RZ2716","Liu, Guang-Xiang","3,5-Dimethyl-1-(4-nitrobenzyl)pyridinium bis(benzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)","Acta Crystallographica Section E","2012","68","4","m407","","10.1107/S1600536812009828","","","0.71073","MoKα","","0.105","0.0475","","","0.0601","0.0692","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234385","10.1013","0.0003","5.7749","0.0002","11.2295","0.0003","90","","95.207","0.001","90","","652.36","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","7-oxo-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-4-yl acetate","8-<i>O</i>-Acetyl-8-<i>epi</i>-9-deoxygoniopypyrone","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","RZ2717","Fun, Hoong-Kun; Chantrapromma, Suchada; Prawat, Uma; Boonnak, Nawong; Razak, Ibrahim Abdul","8-<i>O</i>-Acetyl-8-<i>epi</i>-9-deoxygoniopypyrone","Acta Crystallographica Section E","2012","68","4","o1072","o1073","10.1107/S1600536812010483","","","0.71073","MoKα","","0.0274","0.0267","","","0.0732","0.0738","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234386","16.6174","0.0002","10.5178","0.0001","9.6758","0.0001","90","","96.345","0.001","90","","1680.76","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-Benzylsulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazol-3-yl)- 2,2-dimethylpropan-1-one","","- C16 H22 N2 O S2 -","- C16 H22 N2 O S2 -","- C64 H88 N8 O4 S8 -","4","1","RZ2718","Yusof, Mohd Sukeri Mohd; Mutalib, Fatimah Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","1-(5-Benzylsulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one","Acta Crystallographica Section E","2012","68","4","o1228","","10.1107/S1600536812012639","","","0.71073","MoKα","","0.0555","0.0392","","","0.0838","0.0915","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234387","8.7676","0.0008","6.4662","0.0006","11.1677","0.0012","90","","105.29","0.001","90","","610.72","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Anilino-1-(isopropylamino)propan-2-ol","","- C12 H20 N2 O -","- C12 H20 N2 O -","- C24 H40 N4 O2 -","2","1","RZ2719","Hou, Xuehui; Hu, Ping; Lv, Quanjian","3-Anilino-1-(isopropylamino)propan-2-ol","Acta Crystallographica Section E","2012","68","4","o1264","","10.1107/S1600536812013256","","","0.71073","MoKα","","0.0695","0.0458","","","0.1048","0.1156","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234388","10.162","0.002","10.486","0.002","12.64","0.003","99.315","0.004","93.14","0.004","90.196","0.004","1327","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","6,6'-Dimethoxy-2,2'-[(<i>E</i>,<i>E</i>')-(2,4,6-trimethyl-1,3- phenylene)bis(nitrilomethanylylidene)]diphenol chloroform monosolvate","","- C26 H27 Cl3 N2 O4 -","- C26 H27 Cl3 N2 O4 -","- C52 H54 Cl6 N4 O8 -","2","1","RZ2720","Bahron, Hadariah; Bakar, Najihah Abu; Yamin, Bohari M.; Yusof, M. Sukeri M.","6,6'-Dimethoxy-2,2'-[(<i>E</i>,<i>E</i>')-(2,4,6-trimethyl-1,3-phenylene)bis(nitrilomethanylylidene)]diphenol chloroform monosolvate","Acta Crystallographica Section E","2012","68","4","o1176","","10.1107/S1600536812011531","","","0.71073","MoKα","","0.0652","0.0507","","","0.1357","0.1497","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234389","8.745","0.0017","11.635","0.002","13.967","0.003","84.07","0.03","78.8","0.03","80.48","0.03","1371.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3- methoxyphenyl)prop-2-en-1-one","","- C31 H36 N2 O5 -","- C31 H36 N2 O5 -","- C62 H72 N4 O10 -","2","1","RZ2721","Zhong, Yan; Zhang, Xiao-Ping; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1259","","10.1107/S1600536812012767","","","0.71073","MoKα","","0.1145","0.0611","","","0.1522","0.1851","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234390","8.722","0.002","7.987","0.002","39.508","0.011","90","","95.044","0.006","90","","2741.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-Bis(2-nitrophenyl)-9-octyl-9<i>H</i>-carbazole","","- C32 H31 N3 O4 -","- C32 H31 N3 O4 -","- C128 H124 N12 O16 -","4","1","RZ2725","Wrobel, Norma; Schollmeyer, Dieter; Detert, Heiner","2,7-Bis(2-nitrophenyl)-9-octyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","4","o1249","","10.1107/S1600536812012780","","","0.71073","MoKα","","0.1786","0.0615","","","0.103","0.1367","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234391","10.7985","0.0016","8.3971","0.0012","17.485","0.003","90","","90","","90","","1585.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Azido-1-(4-fluorophenyl)ethanone","","- C8 H6 F N3 O -","- C8 H6 F N3 O -","- C64 H48 F8 N24 O8 -","8","1","RZ2730","Yousuf, Sammer; Arshad, Muhammad; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-fluorophenyl)ethanone","Acta Crystallographica Section E","2012","68","4","o1268","","10.1107/S1600536812013426","","","0.71073","MoKα","","0.0407","0.0329","","","0.0852","0.0902","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234392","12.1976","0.0015","10.6555","0.0013","7.9602","0.001","90","","96.816","0.002","90","","1027.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)benzoato]cobalt(II)","","- C20 H22 Co N4 O8 -","- C20 H22 Co N4 O8 -","- C40 H44 Co2 N8 O16 -","2","0.5","SJ5202","Guo, Jian; Tong, Shao-Wei; Liu, Jian-She; Song, Wen-Dong; An, Jing-Bo","Tetraaquabis[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)benzoato]cobalt(II)","Acta Crystallographica Section E","2012","68","4","m486","m487","10.1107/S1600536812010562","","","0.71073","MoKα","","0.0335","0.0315","","","0.0895","0.0919","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234393","3.8932","0.0003","9.1841","0.0006","14.8394","0.0009","90","","93.664","0.012","90","","529.51","0.06","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-Chloroanilinium hydrogen maleate","4-Chloroanilinium 3-carboxyprop-2-enoate","","- C10 H10 Cl N O4 -","- C10 H10 Cl N O4 -","- C20 H20 Cl2 N2 O8 -","2","0.5","SJ5203","Anitha, R.; Athimoolam, S.; Bahadur, S. Asath; Gunasekaran, M.","4-Chloroanilinium 3-carboxyprop-2-enoate","Acta Crystallographica Section E","2012","68","4","o959","o960","10.1107/S1600536812008458","","","0.71073","MoKα","","0.0389","0.0368","","","0.1025","0.1056","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234394","6.2156","0.0004","33.2505","0.0015","12.1792","0.0008","90","","110.656","0.005","90","","2355.3","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(3-methyl-3-phenylcyclobutyl)-2,2'-(azanediyl)diethanol","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C104 H140 N4 O8 -","4","1","SJ5204","Şen, Fatih; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Ibrahim","1,1'-Bis(3-methyl-3-phenylcyclobutyl)-2,2'-(azanediyl)diethanol","Acta Crystallographica Section E","2012","68","4","o1052","","10.1107/S1600536812010203","","","0.71073","MoKα","","0.2068","0.0675","","","0.1274","0.1725","","","","","","0.949","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234395","5.7574","0.0012","11.875","0.002","11.691","0.003","90","","109.15","0.03","90","","755.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium (<i>R</i>)-2-ammonio-3-sulfonatopropanoate monohydrate","poly[[μ~4~-(<i>R</i>)-2-ammonio-3-sulfonatopropanoato]aquasodium]","","- C3 H8 N Na O6 S -","- C3 H8 N Na O6 S -","- C12 H32 N4 Na4 O24 S4 -","4","1","SJ5205","Brown, I. David","A redetermination of the structure of poly[[μ~4~-(<i>R</i>)-2-ammonio-3-sulfonatopropanoato]aquasodium], originally reported as poly[[μ~7~-<small>L</small>-cysteato(2{-})]disodium]","Acta Crystallographica Section E","2012","68","4","m393","","10.1107/S1600536812009683","","","0.71073","MoKα","","0.0511","0.0383","","","0.0825","0.0872","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234396","6.148","0.007","8.569","0.01","11.846","0.014","69.292","0.012","85.821","0.013","83.129","0.013","579.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6,6-Dimethyl-2<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>-1,3- dithiolo[4,5-<i>f</i>][1,5,3]dithiasilepin-2-one","","- C7 H10 O S4 Si -","- C7 H10 O S4 Si -","- C14 H20 O2 S8 Si2 -","2","1","SJ5206","Li, Hongqi; Zhang, Xuebin; Zhang, Zhongbao; Chen, Zhen; Peng, Jiajian","6,6-Dimethyl-2<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>-1,3-dithiolo[4,5-<i>f</i>][1,5,3]dithiasilepin-2-one","Acta Crystallographica Section E","2012","68","4","o1122","","10.1107/S1600536812011142","","","0.71073","MoKα","","0.042","0.0306","","","0.0671","0.0719","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234397","15.2803","0.0003","15.2803","0.0003","16.4339","0.0007","90","","90","","90","","3837.1","0.2","200","2","200","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Dichloridobis(2-phenylpyridine-κ<i>N</i>)zinc(II)","","- C22 H18 Cl2 N2 Zn -","- C22 H18 Cl2 N2 Zn -","- C176 H144 Cl16 N16 Zn8 -","8","0.5","SJ5207","Dharmalingam, Sivanesan; Lee, Ha-Jin; Yoon, Sungho","Dichloridobis(2-phenylpyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2012","68","4","m431","m432","10.1107/S1600536812010616","","","0.71073","MoKα","","0.0498","0.0314","","","0.0614","0.074","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234398","10.2655","0.0006","4.6738","0.0002","12.3561","0.0008","90","","112.331","0.003","90","","548.37","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Fluoro-2-[(3-methylphenyl)iminomethyl]phenol","","- C14 H12 F N O -","- C14 H12 F N O -","- C28 H24 F2 N2 O2 -","2","1","SJ5208","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","4-Fluoro-2-[(3-methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","4","o1071","","10.1107/S1600536812010513","","","0.71073","MoKα","","","0.0343","","","","0.0954","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234399","9.923","0.002","11.963","0.002","15.827","0.002","95.269","0.002","98.932","0.002","103.691","0.002","1787","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-(4-Diethylamino-2-hydroxybenzylidene)-4-methylbenzohydrazide","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","SJ5209","Shen, Xi-Hai; Shao, Li-Juen; Zhu, Zhao-Fu; Zhu, Li-Xue","<i>N</i>'-(4-Diethylamino-2-hydroxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","4","o1078","","10.1107/S1600536812010690","","","0.71073","MoKα","","0.3024","0.0864","","","0.1657","0.2446","","","","","","0.848","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234400","17.569","0.003","8.367","0.002","19.454","0.003","90","","93.683","0.003","90","","2853.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-4-methoxybenzohydrazide","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C120 H104 Cl8 N16 O24 -","8","2","SJ5210","Tan, Yao","<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","4","o1079","","10.1107/S1600536812010707","","","0.71073","MoKα","","0.0656","0.0383","","","0.0892","0.1054","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234401","8.4221","0.0006","14.3704","0.0009","23.7031","0.0016","90","","90","","90","","2868.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cyclooctanaminium hydrogen succinate monohydrate","","- C12 H25 N O5 -","- C12 H25 N O5 -","- C96 H200 N8 O40 -","8","1","SJ5211","Khorasani, Sanaz; Fernandes, Manuel A.","Cyclooctanaminium hydrogen succinate monohydrate","Acta Crystallographica Section E","2012","68","4","o1204","","10.1107/S1600536812011208","","","0.71073","MoKα","","0.0828","0.0504","","","0.1306","0.145","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234402","8.936","0.0007","14.5007","0.0011","14.8074","0.0011","90","","103.471","0.008","90","","1865.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(3,4-dimethoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","SJ5212","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Amino-1-(3,4-dimethoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o1118","o1119","10.1107/S1600536812011129","","","0.71073","MoKα","","0.0927","0.0545","","","0.1144","0.1361","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234403","5.8481","0.0005","7.6348","0.0006","8.4677","0.0007","91.837","0.005","92.584","0.005","111.907","0.004","349.93","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine‒<i>trans</i>,<i>trans</i>-hexa-2,4-dienedioic acid (1/1)","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","1","0.5","SJ5219","Moon, Suk-Hee; Park, Ki-Min","4,4'-Bipyridine‒<i>trans</i>,<i>trans</i>-hexa-2,4-dienedioic acid (1/1)","Acta Crystallographica Section E","2012","68","4","o1201","","10.1107/S1600536812012391","","","0.71073","MoKα","","0.0438","0.0398","","","0.1122","0.1164","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234404","5.3552","0.0002","7.6334","0.0002","13.9956","0.0005","105.757","0.003","100.585","0.003","90.086","0.002","540.45","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-Bromo-<i>N</i>-phenylbenzamide","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C26 H20 Br2 N2 O2 -","2","1","SJ5220","Fun, Hoong-Kun; Chantrapromma, Suchada; Sripet, Weerawat; Ruanwas, Pumsak; Boonnak, Nawong","4-Bromo-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2012","68","4","o1269","o1270","10.1107/S1600536812013487","","","0.71073","MoKα","","0.0469","0.0323","","","0.0713","0.0759","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234405","7.026","0.0014","10.624","0.002","17.084","0.003","72.95","0.03","84.18","0.03","79.56","0.03","1197.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Cyclohexyl-<i>N</i>-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin- 2-yl]methyl}4,6-dimethoxypyrimidin-2-amine","","- C24 H30 N6 O5 -","- C24 H30 N6 O5 -","- C48 H60 N12 O10 -","2","1","SJ5221","Wang, De-Cai; Wang, Yu-Jing; Song, Jun-Song; Wei, Ping; Ou-yang, Ping-Kai","<i>N</i>-Cyclohexyl-<i>N</i>-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin-2-yl]methyl}4,6-dimethoxypyrimidin-2-amine","Acta Crystallographica Section E","2012","68","4","o1272","","10.1107/S1600536812013104","","","0.71073","MoKα","","0.1169","0.063","","","0.1543","0.1779","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234406","8.7124","0.0001","9.4857","0.0001","10.2898","0.0001","82.883","0.001","71.126","0.001","75.672","0.001","778.738","0.015","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenylsulfinyl)-2-methylnaphtho[2,1-<i>b</i>]furan","","- C19 H13 Br O2 S -","- C19 H13 Br O2 S -","- C38 H26 Br2 O4 S2 -","2","1","SJ5222","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","1-(4-Bromophenylsulfinyl)-2-methylnaphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2012","68","4","o1246","","10.1107/S1600536812012603","","","0.71073","MoKα","","0.0342","0.0299","","","0.0781","0.0801","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234407","8.81958","0.00009","16.842","0.0002","22.7304","0.0003","90","","90","","90","","3376.36","0.07","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sodium (1<i>R</i>)-<i>D</i>-glucit-1-ylsulfonate monohydrate","Sodium (1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-1,2,3,4,5,6-hexahydroxyhexane-1-sulfonate monohydrate","","- C6 H15 Na O10 S -","- C6 H15 Na O10 S -","- C72 H180 Na12 O120 S12 -","12","3","SU2377","Haines, Alan H.; Hughes, David L.","Sodium (1<i>R</i>)-<small>D</small>-glucit-1-ylsulfonate monohydrate","Acta Crystallographica Section E","2012","68","4","m377","m378","10.1107/S1600536812007210","","","0.71073","Mo-Kα","","0.0373","0.0276","","","","0.0519","","","","","","0.929","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234408","7.7562","0.0003","8.7905","0.0003","17.1479","0.0005","87.554","0.001","86.151","0.001","70.895","0.001","1102","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-[1,3-Phenylenebis(methylene)]di-<i>p</i>-toluenesulfonamide","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C44 H48 N4 O8 S4 -","2","1","SU2379","Ejaz; Khan, Islam Ullah; Harrison, William T. A.; Anjum, Rukhsana","<i>N</i>,<i>N</i>'-[1,3-Phenylenebis(methylene)]di-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section E","2012","68","4","o950","","10.1107/S1600536812007222","","","0.71073","MoKα","","0.0877","0.0618","","","0.1745","0.1873","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234409","12.261","0.003","4.52","0.0009","15.656","0.003","90","","112.27","0.03","90","","802.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4<i>R</i>*,5<i>R</i>*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C30 H34 N2 O16 -","2","1","SU2384","Lv, Chun-Lei; Chen, Jian-Hui; Zhang, Yu-Zhe; Lu, Ding-Qiang; OuYang, Ping-Kai","(4<i>R</i>*,5<i>R</i>*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate","Acta Crystallographica Section E","2012","68","4","o1128","","10.1107/S160053681201118X","","","0.71073","MoKα","","0.058","0.0459","","","0.13","0.1421","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234410","7.5795","0.0009","7.6839","0.0009","11.261","0.0014","93.628","0.002","98.288","0.003","102.626","0.003","630.24","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3,6-Dibromo-7-ethylamino-4-methyl-2<i>H</i>-chromen-2-one","","- C12 H11 Br2 N O2 -","- C12 H11 Br2 N O2 -","- C24 H22 Br4 N2 O4 -","2","1","SU2385","Zhang, Ting; Xing, Huai-jie; Miao, Chun-bao; Sun, Xiao-qiang; Xi, Hai-tao","3,6-Dibromo-7-ethylamino-4-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2012","68","4","o1108","","10.1107/S160053681201077X","","","0.71073","MoKα","","0.0395","0.031","","","0.0927","0.0974","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234411","13.1384","0.0013","13.3144","0.0019","14.012","0.0009","90","","110.198","0.006","90","","2300.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorido{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^2^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(III) dimethylformamide monosolvate","","- C21 H27 Cl Co N3 O6 -","- C21 H27 Cl Co N3 O6 -","- C84 H108 Cl4 Co4 N12 O24 -","4","1","SU2386","Wei, Yun; Pang, Ting; Liu, Jiacheng; Li, Meng; Liang, Lili","Aquachlorido{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^2^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(III) dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","4","m455","m456","10.1107/S1600536812011324","","","0.71073","MoKα","","0.082","0.0581","","","0.131","0.1402","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234412","5.0306","0.0003","7.1847","0.0004","19.6856","0.0013","94.956","0.004","93.31","0.004","102.299","0.004","690.45","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-[(3-Ethoxy-2-hydroxybenzylidene)amino]benzoic acid","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C32 H30 N2 O8 -","2","1","SU2387","Kargar, Hadi; Sharafi, Zahra; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-3-[(3-Ethoxy-2-hydroxybenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2012","68","4","o1035","","10.1107/S1600536812009968","","","0.71073","MoKα","","0.1685","0.0611","","","0.1158","0.1497","","","","","","0.952","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234413","12.4216","0.0008","8.1511","0.0006","16.082","0.0011","90","","93.001","0.003","90","","1626.06","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzoic acid","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","SU2388","Kargar, Hadi; Sharafi, Zahra; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2012","68","4","o1036","","10.1107/S160053681200997X","","","0.71073","MoKα","","0.2308","0.0575","","","0.0867","0.1327","","","","","","0.94","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234414","10.876","0.002","12.403","0.003","19.911","0.004","76.13","0.03","77.01","0.03","64.72","0.03","2334.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[(4-Methylbenzyl)bis(pyridin-2-ylmethyl)amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(thiocyanato-κ<i>S</i>)copper(II) dichloromethane hemisolvate","","- C22.5 H22 Cl Cu N5 S2 -","- C22.5 H22 Cl Cu N5 S2 -","- C90 H88 Cl4 Cu4 N20 S8 -","4","2","SU2389","Qi, Yan; Li, Yang; Ma, Zheng-Ping; Chen, Qiu-Yun","[(4-Methylbenzyl)bis(pyridin-2-ylmethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(thiocyanato-κ<i>S</i>)copper(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","4","m468","","10.1107/S1600536812011476","","","0.71073","MoKα","","0.065","0.0547","","","0.1293","0.1388","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234415","8.2983","0.0017","15.069","0.003","14.266","0.003","90","","104.76","0.03","90","","1725.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloridotris(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium","","- C12 H18 Cd Cl2 N6 -","- C12 H18 Cd Cl2 N6 -","- C48 H72 Cd4 Cl8 N24 -","4","1","SU2390","Zhu, Run-Qiang","Dichloridotris(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium","Acta Crystallographica Section E","2012","68","4","m439","","10.1107/S160053681201104X","","","0.71073","MoKα","","0.0297","0.0266","","","0.0613","0.0628","","","","","","1.118","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234416","6.72","0.0006","8.2201","0.0008","11.2616","0.0007","93.914","0.006","95.162","0.006","108.721","0.008","583.66","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,6-Dimethyl-1-phenyl-1<i>H</i>,4<i>H</i>-pyrano[2,3-<i>c</i>]pyrazol-4-one","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","SU2391","Asiri, Abdullah M.; Faidallah, Hassan M.; Hameed, Salem A.; Ng, Seik Weng; Tiekink, Edward R. T.","3,6-Dimethyl-1-phenyl-1<i>H</i>,4<i>H</i>-pyrano[2,3-<i>c</i>]pyrazol-4-one","Acta Crystallographica Section E","2012","68","4","o1120","","10.1107/S1600536812011348","","","0.71073","MoKα","","0.0812","0.0563","","","0.1344","0.1578","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234417","25.299","0.006","9.193","0.002","13.917","0.003","90","","94.289","0.005","90","","3227.7","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Acridine-κ<i>N</i>)(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)palladium(II)","","- C20 H12 N2 O4 Pd -","- C20 H12 N2 O4 Pd -","- C160 H96 N16 O32 Pd8 -","8","1","SU2392","Ha, Kwang","(Acridine-κ<i>N</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)palladium(II)","Acta Crystallographica Section E","2012","68","4","m454","","10.1107/S1600536812011385","","","0.71073","MoKα","","0.0679","0.0405","","","0.0864","0.1003","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234418","18.1099","0.0013","10.1856","0.0006","19.8438","0.0013","90","","115.965","0.002","90","","3290.9","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2-(diphenylphosphanyl-κ<i>P</i>)benzaldehyde]iodidogold(I)","","- C38 H30 Au I O2 P2 -","- C38 H30 Au I O2 P2 -","- C152 H120 Au4 I4 O8 P8 -","4","0.5","SU2394","Williams, Michael L.; Dunstan, Samuel P. C.; Healy, Peter C.; Tiekink, Edward R. T.","Bis[2-(diphenylphosphanyl-κ<i>P</i>)benzaldehyde]iodidogold(I)","Acta Crystallographica Section E","2012","68","4","m473","","10.1107/S1600536812011609","","","0.71069","MoKα","","0.0306","0.0261","","","0.0575","0.0587","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234419","5.8916","0.0012","6.4349","0.0014","9.1263","0.0019","95.659","0.004","102.379","0.004","109.859","0.004","312.27","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Cyano-2-methylpropanamide","","- C5 H8 N2 O -","- C5 H8 N2 O -","- C10 H16 N4 O2 -","2","1","SU2395","Xu, Jia-Ying; Cheng, Wei-Hua","2-Cyano-2-methylpropanamide","Acta Crystallographica Section E","2012","68","4","o1250","","10.1107/S1600536812013360","","","0.71073","MoKα","","0.0519","0.0497","","","0.1396","0.143","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234420","9.6055","0.0011","9.9889","0.0011","24.258","0.003","90","","90.284","0.002","90","","2327.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)(aqua-κ<i>O</i>)(2-{bis[(3,5-dimethyl-1<i>H</i>- pyrazol-1-yl-κ<i>N</i>^2^)methyl]amino-κ<i>N</i>}ethanol-κ<i>O</i>)nickel(II) perchlorate monohydrate","","- C16 H30 Cl N5 Ni O9 -","- C16 H30 Cl N5 Ni O9 -","- C64 H120 Cl4 N20 Ni4 O36 -","4","1","TK5060","Zhou, Jia; Shu, Mouhai","(Acetato-κ<i>O</i>)(aqua-κ<i>O</i>)(2-{bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amino-κ<i>N</i>}ethanol-κ<i>O</i>)nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","4","m399","","10.1107/S1600536812007970","","","0.71073","MoKα","","0.1206","0.0586","","","0.1267","0.1415","","","","","","0.817","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234421","8.1468","0.0014","9.3305","0.0016","11.663","0.003","108.243","0.003","100.034","0.003","107.83","0.002","764.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-dimethylamino-1-ethylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","","- C26 H30 N8 Ni S4 -","- C26 H30 N8 Ni S4 -","- C26 H30 N8 Ni S4 -","1","0.5","TK5062","Yu, Shan-Shan; Zhou, Hong; Ren, Xiao-Ming","Bis(4-dimethylamino-1-ethylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2012","68","4","m395","","10.1107/S1600536812008161","","","0.71073","MoKα","","0.0455","0.037","","","0.115","0.1283","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234422","8.1628","0.0008","12.0701","0.0011","17.0176","0.0016","90","","90","","90","","1676.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2,5-Dimethoxyphenyl)-<i>N</i>-[2-(4-hydroxyphenyl)ethyl]acetamide","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","TK5063","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","2-(2,5-Dimethoxyphenyl)-<i>N</i>-[2-(4-hydroxyphenyl)ethyl]acetamide","Acta Crystallographica Section E","2012","68","4","o966","","10.1107/S1600536812008975","","","0.71073","MoKα","","0.0686","0.0399","","","","0.0879","","","","","","0.872","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234423","8.6343","0.0015","9.6486","0.0017","12.701","0.002","111.324","0.002","90.109","0.002","98.097","0.002","974.2","0.3","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-Aminopyridin-3-yl)-4-methyl-<i>N</i>-(4- methylphenylsulfonyl)benzenesulfonamide","","- C19 H19 N3 O4 S2 -","- C19 H19 N3 O4 S2 -","- C38 H38 N6 O8 S4 -","2","1","TK5064","Taher, Abu; Smith, Vincent J.","<i>N</i>-(2-Aminopyridin-3-yl)-4-methyl-<i>N</i>-(4-methylphenylsulfonyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","4","o1136","","10.1107/S1600536812010872","","","0.71073","MoKα","","0.0322","0.0305","","","0.0844","0.0857","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234424","10.0459","0.0008","15.3072","0.0013","8.1517","0.0007","90","","126.912","0.005","90","","1002.27","0.16","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bromido(2,4,6-trimethylphenyl)mercury(II)","","- C9 H11 Br Hg -","- C9 H11 Br Hg -","- C36 H44 Br4 Hg4 -","4","0.5","TK5065","Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","Bromido(2,4,6-trimethylphenyl)mercury(II)","Acta Crystallographica Section E","2012","68","4","m424","","10.1107/S1600536812010392","","","0.71073","MoKα","","0.0271","0.0251","","","0.0561","0.0568","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234425","8.9432","0.0005","10.3004","0.0006","24.924","0.0015","90","","90","","90","","2296","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>Z</i>)-2-{[<i>N</i>-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}- 3-(4-methylphenyl)prop-2-enenitrile","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","TK5066","Kannan, D.; Bakthadoss, M.; Madhanraj, R.; Murugavel, S.","(2<i>Z</i>)-2-{[<i>N</i>-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methylphenyl)prop-2-enenitrile","Acta Crystallographica Section E","2012","68","4","o1084","","10.1107/S1600536812010628","","","0.71073","MoKα","","0.0669","0.0431","","","0.1043","0.1174","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234426","7.2282","0.0006","9.8308","0.0008","10.2501","0.0008","94.292","0.002","93.081","0.002","106.123","0.002","695.64","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-(Di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)bis(thiocyanato- κ<i>S</i>)platinum(II)","","- C12 H9 N5 Pt S2 -","- C12 H9 N5 Pt S2 -","- C24 H18 N10 Pt2 S4 -","2","1","TK5067","Ha, Kwang","<i>cis</i>-(Di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)bis(thiocyanato-κ<i>S</i>)platinum(II)","Acta Crystallographica Section E","2012","68","4","m440","","10.1107/S1600536812010926","","","0.71073","MoKα","","0.0392","0.0313","","","0.0706","0.088","","","","","","1.218","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234427","9.8084","0.0004","15.9553","0.0007","13.8782","0.0007","90","","107.185","0.002","90","","2074.92","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(4-methylphenyl)-4,5-dihydrofuran- 3-carbonitrile","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","TK5068","Suresh, J.; Vishnupriya, R.; Gunasekaran, P.; Perumal, S.; Lakshman, P. L. Nilantha","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-(4-methylphenyl)-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1124","","10.1107/S1600536812011105","","","0.71073","MoKα","","0.0814","0.0448","","","0.1106","0.1326","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234428","9.9341","0.0002","19.1498","0.0004","12.8279","0.0002","90","","95.078","0.001","90","","2430.75","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methylspiro[indoline-3,7'-[6<i>H</i>,7<i>H</i>,8<i>H</i>]pyrano[3,2- <i>c</i>:5,6-<i>c</i>']di[1]benzopyran]-2,6',8'-trione chloroform hemisolvate","","- C27.5 H15.5 N O6 cl1.5 -","- C27 H15 N O6 -","- C108 H60 N4 O24 -","4","1","TK5070","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Vishnupriya, R.; Suresh, J.","5-Methylspiro[indoline-3,7'-[6<i>H</i>,7<i>H</i>,8<i>H</i>]pyrano[3,2-<i>c</i>:5,6-<i>c</i>']di[1]benzopyran]-2,6',8'-trione chloroform hemisolvate","Acta Crystallographica Section E","2012","68","4","o1194","","10.1107/S1600536812012020","","","0.71073","MoKα","","0.0873","0.0674","","","0.1645","0.1737","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234429","4.851","0.006","10.407","0.012","36.65","0.04","90","","90","","90","","1850","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-<i>N</i>'-[2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","TK5071","Mohamed, Shaaban Kamel; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Potgeiter, Herman","2-Hydroxy-<i>N</i>'-[2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1251","o1252","10.1107/S1600536812012731","","","0.71073","MoKα","","0.1608","0.0839","","","0.1503","0.1892","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234430","14.263","0.004","5.1412","0.0015","12.276","0.004","90","","99.393","0.005","90","","888.1","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Oxapentane-1,5-diyl dicarbamate","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C24 H48 N8 O20 -","4","0.5","TK5072","Li, Zhi","3-Oxapentane-1,5-diyl dicarbamate","Acta Crystallographica Section E","2012","68","4","o1171","","10.1107/S1600536812011981","","","0.71073","MoKα","","0.0391","0.0305","","","0.0777","0.0835","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234431","13.7294","0.0003","13.9123","0.0002","18.8383","0.0003","90","","110.652","0.001","90","","3367.03","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-{[(9<i>H</i>-fluoren-2-yl)methylidene]amino}phenolato- κ^2^<i>N</i>,<i>O</i>)zinc methanol disolvate","","- C42 H36 N2 O4 Zn -","- C42 H36 N2 O4 Zn -","- C168 H144 N8 O16 Zn4 -","4","0.5","TK5073","Kim, Young-Inn; Yun, Sung-Jae; Hwang, Inn-Hye; Kim, Dae-Young; Kang, Sung Kwon","Bis(2-{[(9<i>H</i>-fluoren-2-yl)methylidene]amino}phenolato-κ^2^<i>N</i>,<i>O</i>)zinc methanol disolvate","Acta Crystallographica Section E","2012","68","4","m504","m505","10.1107/S160053681201272X","","","0.71073","MoKα","","0.0753","0.0434","","","","0.0956","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234432","11.453","0.0007","18.4493","0.0008","16.4696","0.001","90","","104.979","0.005","90","","3361.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dichloridobis(triphenylphosphane-κ<i>P</i>)palladium(II) benzene hemisolvate","","- C39 H33 Cl2 P2 Pd -","- C39 H33 Cl2 P2 Pd -","- C156 H132 Cl8 P8 Pd4 -","4","1","TK5074","Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","<i>trans</i>-Dichloridobis(triphenylphosphane-κ<i>P</i>)palladium(II) benzene hemisolvate","Acta Crystallographica Section E","2012","68","4","m507","","10.1107/S1600536812012494","","","0.71073","MoKα","","0.0574","0.0406","","","0.0898","0.0952","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234433","9.1066","0.0018","7.6277","0.0015","14.375","0.003","90","","95.31","0.03","90","","994.2","0.3","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(<i>E</i>)-2-(2-Hydroxy-5-iodobenzylidene)hydrazinecarboxamide","","- C8 H8 I N3 O2 -","- C8 H8 I N3 O2 -","- C32 H32 I4 N12 O8 -","4","1","VM2154","Bikas, Rahman; Nikbakht Sardari, Samra; Hosseini, Seyed Sajjad; Shahverdizadeh, Gholam Hossein; Notash, Behrouz","(<i>E</i>)-2-(2-Hydroxy-5-iodobenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","4","o1090","","10.1107/S1600536812010197","","","0.71073","MoKα","","0.0367","0.0285","","","0.0543","0.0563","","","","","","1.125","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234434","9.71","0.005","10.47","0.005","12.156","0.006","80.785","0.006","87.639","0.006","72.217","0.006","1161.6","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Triethylammonium (indane-1,2,3-trione 1,2-dioximato-κ^2^<i>N</i>^1^,<i>O</i>^2^)(indane-1,2,3-trione 2-oximato 1-oxime-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II)","","- C24 H25 N5 Ni O6 -","- C24 H25 N5 Ni O6 -","- C48 H50 N10 Ni2 O12 -","2","1","VM2155","Zhong, Baoyun; Li, Shengli; Chen, Guifang","Triethylammonium (indane-1,2,3-trione 1,2-dioximato-κ^2^<i>N</i>^1^,<i>O</i>^2^)(indane-1,2,3-trione 2-oximato 1-oxime-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II)","Acta Crystallographica Section E","2012","68","4","m421","","10.1107/S1600536812010458","","","0.71073","MoKα","","0.0748","0.0441","","","0.0684","0.075","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234435","19.364","0.012","4.459","0.003","31.775","0.019","90","","90","","90","","2744","3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-Benzaldehyde <i>O</i>-{[3-(pyridin-3-yl)isoxazol-5-yl]methyl}oxime","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C128 H104 N24 O16 -","8","2","VM2159","Moreno-Fuquen, Rodolfo; Loaiza, Alix Elena; Diaz-Velandia, John; Kennedy, Alan R.; Morrison, Catriona A.","(<i>E</i>)-Benzaldehyde <i>O</i>-{[3-(pyridin-3-yl)isoxazol-5-yl]methyl}oxime","Acta Crystallographica Section E","2012","68","4","o1080","","10.1107/S1600536812010732","","","0.71075","MoKα","","0.0785","0.0591","","","0.1246","0.1357","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234436","20.62","0.02","7.464","0.008","9.485","0.011","90","","110.362","0.011","90","","1369","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-Dichloro-<i>N</i>,<i>N</i>'-[1,3-phenylenebis(methylene)]diacetamide","","- C12 H14 Cl2 N2 O2 -","- C12 H14 Cl2 N2 O2 -","- C48 H56 Cl8 N8 O8 -","4","0.5","VM2160","Cai, Hong-Xin; Wu, Wei-Na","2,2'-Dichloro-<i>N</i>,<i>N</i>'-[1,3-phenylenebis(methylene)]diacetamide","Acta Crystallographica Section E","2012","68","4","o933","","10.1107/S1600536812008653","","","0.71073","MoKα","","0.0675","0.0552","","","0.1472","0.1568","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234437","4.021","0.0008","21.506","0.004","12.333","0.003","90","","96.41","0.03","90","","1059.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,3-Dichloroallyloxy)-2-nitrobenzene","","- C9 H7 Cl2 N O3 -","- C9 H7 Cl2 N O3 -","- C36 H28 Cl8 N4 O12 -","4","1","VM2161","Ren, Dong-mei; Wang, Yong-yi","1-(3,3-Dichloroallyloxy)-2-nitrobenzene","Acta Crystallographica Section E","2012","68","4","o1049","","10.1107/S1600536812010070","","","0.71073","MoKα","","0.0719","0.0502","","","0.1467","0.1641","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234438","7.654","0.003","6.967","0.003","20.629","0.008","90","","97.183","0.004","90","","1091.4","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-4-phenyl-2<i>H</i>-pyran-2-one","","- C13 H12 O2 -","- C13 H12 O2 -","- C52 H48 O8 -","4","1","VM2163","Xu, Hai-Yun; Guo, Sheng-Hai; Li, Kun; Fan, Xue-Sen","5,6-Dimethyl-4-phenyl-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2012","68","4","o1131","","10.1107/S1600536812011233","","","0.71073","MoKα","","0.0594","0.0448","","","0.1252","0.1369","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234439","12.4173","0.0002","17.1269","0.0003","13.9211","0.0002","90","","100.889","0.001","90","","2907.29","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Vinylpyridine‒tris(pentafluorophenyl)borane hexane monosolvate","","- C31 H21 B F15 N -","- C25 H7 B F15 N -","- C100 H28 B4 F60 N4 -","4","1","VM2164","Klahn, Marcus; Spannenberg, Anke; Rosenthal, Uwe","2-Vinylpyridine‒tris(pentafluorophenyl)borane hexane monosolvate","Acta Crystallographica Section E","2012","68","4","o1261","","10.1107/S1600536812013153","","","0.71073","MoKα","","0.0627","0.0474","","","0.1079","0.1126","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234440","6.023","0.0013","8.3306","0.0018","21.314","0.005","90","","90","","90","","1069.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,3,5-Tri(chloroformyl)benzene","Benzene-1,3,5-tricarbonyl trichloride","","- C9 H3 Cl3 O3 -","- C9 H3 Cl3 O3 -","- C36 H12 Cl12 O12 -","4","1","VM2166","Fan, Xin; Wang, Yanrong; Jin, Chengzhi; Jin, Longfei","Benzene-1,3,5-tricarbonyl trichloride","Acta Crystallographica Section E","2012","68","4","o1260","","10.1107/S1600536812012895","","","0.71073","MoKα","","0.0664","0.0649","","","0.1684","0.1695","","","","","","1.222","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234441","9.8815","0.0005","10.6695","0.0005","15.0158","0.0007","70.405","0.002","73.323","0.002","74.974","0.002","1405.21","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-[(benzoyloxy)methyl]-1<i>H</i>-1,2,3-triazole- κ<i>N</i>^3^}(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C28 H22 Ag N7 O7 -","- C28 H22 Ag N7 O7 -","- C56 H44 Ag2 N14 O14 -","2","1","VN2026","Xu, Sen; Shen, Yingzhong","Bis{1-[(benzoyloxy)methyl]-1<i>H</i>-1,2,3-benzotriazole-κ<i>N</i>^3^}(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","Acta Crystallographica Section E","2012","68","4","m369","","10.1107/S1600536812006368","","","0.71073","MoKα","","0.0356","0.0318","","","0.0651","0.0667","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234442","9.2332","0.0005","10.1337","0.0006","12.4186","0.0006","90","","90","","90","","1161.96","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[bis(μ-purin-9-ido-κ^2^<i>N</i>^7^:<i>N</i>^9^)zinc]","","- C10 H6 N8 Zn -","- C10 H6 N8 Zn -","- C40 H24 N32 Zn4 -","4","1","VN2034","Cadiau, A.; Adil, K.","Poly[bis(μ-purin-9-ido-κ^2^<i>N</i>^7^:<i>N</i>^9^)zinc]","Acta Crystallographica Section E","2012","68","4","m449","","10.1107/S1600536812011245","","","0.71073","MoKα","","0.0284","0.0242","","","0.0518","0.0528","","","","","","1.012","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234443","11.5802","0.0015","15.958","0.002","14.3921","0.0017","90","","100.143","0.003","90","","2618","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Carbonato-κ^2^<i>O</i>,<i>O</i>')bis(5,5'-dimethyl-2,2'-bipyridyl- κ^2^<i>N</i>,<i>N</i>')cobalt(III) bromide trihydrate","","- C25 H30 Br Co N4 O6 -","- C25 H30 Br Co N4 O6 -","- C100 H120 Br4 Co4 N16 O24 -","4","1","WM2590","Arun Kumar, Kannan; Meera, Parthsarathi; Amutha Selvi, Madhavan; Dayalan, Arunachalam","(Carbonato-κ^2^<i>O</i>,<i>O</i>')bis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(III) bromide trihydrate","Acta Crystallographica Section E","2012","68","4","m383","m384","10.1107/S160053681200894X","","","0.71073","MoKα","","0.0874","0.0463","","","0.118","0.1448","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","189076","2020-10-21","18:00:00",""
"2234444","18.0696","0.0007","3.9866","0.0001","11.3189","0.0005","90","","107.188","0.002","90","","778.96","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~10~-4,4'-(ethane-1,2-diyldioxy)dibenzoato]dipotassium]","","- C16 H12 K2 O6 -","- C16 H12 K2 O6 -","- C32 H24 K4 O12 -","2","0.5","WM2592","Ma, Zhen; Liang, Baohuan; Lu, Wanbing","Poly[[μ~10~-4,4'-(ethane-1,2-diyldioxy)dibenzoato]dipotassium]","Acta Crystallographica Section E","2012","68","4","m370","","10.1107/S1600536812008513","","","0.71073","MoKα","","0.0248","0.0226","","","0.0653","0.0667","","","","","","1.011","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2234445","9.9844","0.0003","7.4059","0.0002","9.9046","0.0003","90","","90","","90","","732.38","0.04","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","pentacalcium trizirconium docosafluoride","","- Ca5 F22 Zr3 -","- Ca5 F22 Zr3 -","- Ca10 F44 Zr6 -","2","0.5","WM2595","Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel","Ca~5~Zr~3~F~22~","Acta Crystallographica Section E","2012","68","4","i23","","10.1107/S1600536812008495","","","0.71073","MoKα","","0.0481","0.0356","","","0.0534","0.0575","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234446","15.3105","0.0008","7.2983","0.0004","29.5679","0.0015","90","","90","","90","","3303.9","0.3","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine- 3,7-dicarboxylato] monohydrate]","","- C15 H17 Co N O8 S -","- C15 H17 Co N O8 S -","- C120 H136 Co8 N8 O64 S8 -","8","1","WM2597","Hu, Yun-Xia; Zhou, Yan; Wang, Fang-Ming; Zhang, Wen-Wei","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2012","68","4","m402","m403","10.1107/S1600536812009580","","","0.71073","MoKα","","0.0531","0.0428","","","0.1009","0.1035","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234447","12.5918","0.0003","14.0025","0.0003","22.2129","0.0005","90","","100.429","0.002","90","","3851.8","0.15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{<i>S</i>-benzyl 3-[(phenyl)(pyridin-2-yl)methylidene]dithiocarbazato}zinc acetonitrile monosolvate","","- C42 H35 N7 S4 Zn -","- C42 H35 N7 S4 Zn -","- C168 H140 N28 S16 Zn4 -","4","1","WM2598","Ravoof, Thahira B. S. A.; Omar, Siti Aminah; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","Bis{<i>S</i>-benzyl 3-[(phenyl)(pyridin-2-yl)methylidene]dithiocarbazato}zinc acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","4","m390","m391","10.1107/S1600536812009592","","","0.71073","MoKα","","0.0533","0.0384","","0.0813","0.074","0.0813","","","","","","0.9908","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234448","6.778","0.001","11.3381","0.0013","12.9109","0.0015","87.903","0.002","88.622","0.002","79.088","0.001","973.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(benzoato-κ<i>O</i>)bis[4,4,5,5-tetramethyl-2-(pyridin-4-yl- κ<i>N</i>)imidazoline-1-oxyl 3-oxide]cobalt(II)","","- C38 H46 Co N6 O10 -","- C38 H46 Co N6 O10 -","- C38 H46 Co N6 O10 -","1","0.5","WM2601","Wang, Kun-Miao; Zhou, Jie; Qian, Fen-Hua; Liu, Jing","Diaquabis(benzoato-κ<i>O</i>)bis[4,4,5,5-tetramethyl-2-(pyridin-4-yl-κ<i>N</i>)imidazoline-1-oxyl 3-oxide]cobalt(II)","Acta Crystallographica Section E","2012","68","4","m506","","10.1107/S1600536812012251","","","0.71073","MoKα","","0.0638","0.0412","","","0.1009","0.1151","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234449","8.2354","0.0006","9.794","0.0007","16.4702","0.0012","90","","102.148","0.001","90","","1298.7","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)diiodidoplatinum(II)","","- C10 H9 I2 N3 Pt -","- C10 H9 I2 N3 Pt -","- C40 H36 I8 N12 Pt4 -","4","1","WM2603","Ha, Kwang","(Di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)diiodidoplatinum(II)","Acta Crystallographica Section E","2012","68","4","m479","","10.1107/S1600536812011907","","","0.71073","MoKα","","0.0376","0.0305","","","0.0726","0.0768","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234450","6.3674","0.0001","15.4594","0.0003","14.2199","0.0003","90","","93.383","0.001","90","","1397.31","0.05","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamide","","- C15 H12 N4 O S -","- C15 H12 N4 O S -","- C60 H48 N16 O4 S4 -","4","1","WN2464","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-2-(2-Oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o962","o963","10.1107/S160053681200400X","","","0.71073","MoKα","","0.0809","0.0529","","","0.1017","0.1126","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234451","9.4696","0.0012","19.359","0.002","14.3888","0.0014","90","","115.975","0.006","90","","2371.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyrrolidin-1-ium 2-(naphthalen-1-yl)acetate‒2-(naphthalen-1-yl)acetic acid (1/1)","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C112 H116 N4 O16 -","4","1","WN2468","Hong, Zhao; Yin, Fu-Jun; Xu, Xing-You; Han, Li-Jun; Ren, Li","Pyrrolidin-1-ium 2-(naphthalen-1-yl)acetate‒2-(naphthalen-1-yl)acetic acid (1/1)","Acta Crystallographica Section E","2012","68","4","o1113","","10.1107/S160053681201001X","","","0.71073","MoKα","","0.1007","0.0621","","","0.181","0.2112","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234452","4.4534","0.0017","11.523","0.004","18.212","0.007","90","","95.703","0.007","90","","930","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6<i>Z</i>)-4-Bromo-6-{[(2-hydroxyethyl)amino]methylidene}cyclohexa- 2,4-dien-1-one","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C36 H40 Br4 N4 O8 -","4","1","WN2469","Mohamed, Shaaban K.; Akkurt, Mehmet; Elhamid, Antar A. Abd; Singh, Kuldip; Potgieter, Herman","(6<i>Z</i>)-4-Bromo-6-{[(2-hydroxyethyl)amino]methylidene}cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2012","68","4","o1020","","10.1107/S1600536812009749","","","0.71073","MoKα","","0.0582","0.0405","","","0.0854","0.0916","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234453","14.2351","0.0013","11.4115","0.0005","9.81","0.0009","90","","127.183","0.014","90","","1269.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Di-μ-chlorido-bis[aquachloridodimethyltin(IV)]‒1,4,7,10,13- pentaoxacyclopentadecane (1/1)","","- C14 H36 Cl4 O7 Sn2 -","- C14 H36 Cl4 O7 Sn2 -","- C28 H72 Cl8 O14 Sn4 -","2","0.25","XU5444","Amini, Mostafa M.; Ng, Seik Weng","Di-μ-chlorido-bis[aquachloridodimethyltin(IV)]‒1,4,7,10,13-pentaoxacyclopentadecane (1/1)","Acta Crystallographica Section E","2012","68","4","m354","","10.1107/S1600536812008781","","","0.71073","MoKα","","0.0175","0.0166","","","0.0414","0.0418","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234454","19.5557","0.0009","3.8732","0.0002","11.9823","0.0005","90","","90","","90","","907.58","0.07","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(4-Nitrobenzylidene)malononitrile","2-(4-Nitrobenzylidene)propanedinitrile","","- C10 H5 N3 O2 -","- C10 H5 N3 O2 -","- C40 H20 N12 O8 -","4","1","XU5449","Chang, Ming-Jen; Fang, Tzu-Chien; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","2-(4-Nitrobenzylidene)malononitrile","Acta Crystallographica Section E","2012","68","4","o957","","10.1107/S1600536812008896","","","1.54178","CuKα","","0.0363","0.0342","","","0.0895","0.0909","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234455","6.6085","0.0005","7.1887","0.0005","15.3659","0.001","98.629","0.005","94.096","0.005","108.715","0.006","677.96","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-[(3-Methoxyanilino)methylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C34 H28 N4 O6 -","2","1","XU5464","Huang, Wan-Yun; Zhang, Ye; Hu, Kun; Lin, Qing-Mei; Liu, Xian-Xian","4-[(3-Methoxyanilino)methylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1008","","10.1107/S1600536812008276","","","0.71073","MoKα","","0.0526","0.0428","","","0.1079","0.1178","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234456","7.1615","0.0014","8.8729","0.0018","9.3815","0.0019","66.06","0.03","88.66","0.03","70.97","0.03","511","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-carboxy-2-ethyl-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) trihydrate","","- C14 H24 Co N4 O13 -","- C14 H24 Co N4 O13 -","- C14 H24 Co N4 O13 -","1","0.5","XU5468","Miao, Dong-Liang; Li, Shi-Jie; Song, Wen-Dong; Tong, Shao-Wei; Ng, Seik Weng","Diaquabis(5-carboxy-2-ethyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) trihydrate","Acta Crystallographica Section E","2012","68","4","m373","m374","10.1107/S1600536812008902","","","0.71073","MoKα","","0.0758","0.0352","","","0.0754","0.1019","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234457","11.9372","0.0016","6.6919","0.0008","17.158","0.002","90","","92.28","0.007","90","","1369.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Piperidin-1-yl)-6-(1<i>H</i>-pyrrol-1-yl)pyridine-3,5-dicarbonitrile","","- C16 H15 N5 -","- C16 H15 N5 -","- C64 H60 N20 -","4","1","XU5473","Horton, Peter N.; Mohamed, Shaaban K.; Soliman, Ahmed M.; Abdel-Raheem, Eman M. M.; Akkurt, Mehmet","2-(Piperidin-1-yl)-6-(1<i>H</i>-pyrrol-1-yl)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o938","","10.1107/S1600536812008586","","","0.71073","MoKα","","0.1665","0.0725","","","0.1149","0.1404","","","","","","0.956","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234458","7.5438","0.0011","13.1623","0.0019","15.903","0.002","90","","103.251","0.003","90","","1537","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-2,4- dihydroxybenzohydrazide methanol monosolvate","","- C15 H15 Cl N2 O5 -","- C15 H15 Cl N2 O5 -","- C60 H60 Cl4 N8 O20 -","4","1","XU5474","Li, Kun","(<i>E</i>)-<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-2,4-dihydroxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o967","","10.1107/S1600536812009178","","","0.71073","MoKα","","0.0822","0.0444","","","0.1009","0.1186","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234459","8.5275","0.0017","9.1291","0.0018","11.47","0.002","111.97","0.03","96.1","0.03","99.38","0.03","803.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bis(guanidinium) naphthalene-1,5-disulfonate‒18-crown-6 (1/1)","Bis(guanidinium) naphthalene-1,5-disulfonate 1,4,7,10,13,16-hexaoxacyclooctadecane","","- C24 H42 N6 O12 S2 -","- C24 H42 N6 O12 S2 -","- C24 H42 N6 O12 S2 -","1","0.5","XU5475","Wei, Bin","Bis(guanidinium) naphthalene-1,5-disulfonate‒18-crown-6 (1/1)","Acta Crystallographica Section E","2012","68","4","o990","","10.1107/S1600536812009154","","","0.71073","MoKα","","0.0535","0.0425","","","0.0982","0.1036","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234460","12.642","0.0003","14.8499","0.0004","11.8707","0.0003","90","","104.006","0.002","90","","2162.26","0.1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(Anthracen-9-yl)-2-phenyl-6-(pyridin-2-yl)pyridine","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","XU5476","Wang, Hao-Wei; Ren, Jun; Ye, Wen-Bo; Yang, Jia-Xiang","4-(Anthracen-9-yl)-2-phenyl-6-(pyridin-2-yl)pyridine","Acta Crystallographica Section E","2012","68","4","o1210","","10.1107/S1600536812012299","","","0.71073","MoKα","","0.1053","0.0627","","","0.1795","0.2154","","","","","","1.325","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234461","15.578","0.0017","8.054","0.003","23.078","0.005","90","0.003","93.088","0.003","90","0.004","2891.3","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","2","XU5478","Xie, Yu-Zhong; Jin, Jing-Yi; Qu, Xiao-Chun","Polymorph of 4-(carbazol-9-yl)benzonitrile","Acta Crystallographica Section E","2012","68","4","o1199","","10.1107/S1600536812012457","","","0.71069","MoKα","","0.1476","0.0567","","","0.1438","0.1918","","","","","","0.971","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234462","9.3694","0.0005","10.4051","0.0005","13.5937","0.0008","90","","103.516","0.006","90","","1288.54","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4a-Methyl-2,3,4,4a-tetrahydro-1<i>H</i>-carbazole-6-sulfonamide","","- C13 H16 N2 O2 S -","- C13 H16 N2 O2 S -","- C52 H64 N8 O8 S4 -","4","1","XU5479","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4a-Methyl-2,3,4,4a-tetrahydro-1<i>H</i>-carbazole-6-sulfonamide","Acta Crystallographica Section E","2012","68","4","o1050","","10.1107/S1600536812010239","","","0.71073","MoKα","","0.0613","0.0454","","","0.1093","0.1208","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234463","6.6264","0.0004","6.7497","0.0004","22.6203","0.0012","90","","94.785","0.005","90","","1008.19","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dimethyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","XU5480","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","3,5-Dimethyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2012","68","4","o1051","","10.1107/S1600536812010240","","","0.71073","MoKα","","0.0925","0.08","","","0.1886","0.1942","","","","","","1.226","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234464","7.1479","0.0003","11.8929","0.0005","12.2044","0.0006","109.368","0.001","104.69","0.001","92.953","0.001","936.27","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Pentaaqua(4,6-dihydroxybenzene-1,3-disulfonato-κ<i>O</i>^1^)zinc pentahydrate","","- C6 H24 O18 S2 Zn -","- C6 H24 O18 S2 Zn -","- C12 H48 O36 S4 Zn2 -","2","1","XU5482","Zhu, Zhi-Biao; Gao, Shan; Ng, Seik Weng; Tiekink, Edward R. T.","Pentaaqua(4,6-dihydroxybenzene-1,3-disulfonato-κ<i>O</i>^1^)zinc pentahydrate","Acta Crystallographica Section E","2012","68","4","m492","m493","10.1107/S1600536812012317","","","0.71073","MoKα","","0.0357","0.0323","","","0.0863","0.0906","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234465","18.4312","0.0004","11.3595","0.0002","25.1662","0.0006","90","","111.782","0.003","90","","4892.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-(Nitrato-κ^2^<i>O</i>,<i>O</i>')(2,5,5,7,9,12,12,14-octamethyl- 1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cadmium nitrate hemihydrate","","- C18 H41 Cd N6 O6.5 -","- C18 H41 Cd N6 O6.5 -","- C144 H328 Cd8 N48 O52 -","8","1","XU5483","Roy, Tapashi G.; Hazari, Saroj K. S.; Nath, Babul Chandra; Ng, Seik Weng; Tiekink, Edward R. T.","<i>cis</i>-(Nitrato-κ^2^<i>O</i>,<i>O</i>')(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cadmium nitrate hemihydrate","Acta Crystallographica Section E","2012","68","4","m494","m495","10.1107/S160053681201238X","","","1.54184","CuKα","","0.031","0.0292","","","0.0767","0.0782","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234466","11.9983","0.0009","8.2981","0.0006","13.7634","0.0011","90","","105.994","0.007","90","","1317.28","0.18","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3',6,6'-tetrahydroxy-4,4'-dimethyl-1,1'-bi(cyclohexa-3,6-diene)-2,2',5,5'- tetraone","","- C14 H10 O8 -","- C14 H10 O8 -","- C56 H40 O32 -","4","0.5","XU5486","He, Gang; Yan, Jun; Wu, Xiao-Yong; Gou, Xiao-Jun; Li, Wan-Chen","Oosporein from <i>Tremella fuciformis</i>","Acta Crystallographica Section E","2012","68","4","o1231","","10.1107/S1600536812012950","","","0.71073","MoKα","","0.0736","0.0444","","","0.1019","0.118","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234467","22.997","0.005","10.679","0.002","14.899","0.003","90","","92.96","0.03","90","","3654.1","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium perchlorate","","- C18 H19 Cl N2 O5 -","- C18 H19 Cl N2 O5 -","- C144 H152 Cl8 N16 O40 -","8","1","XU5487","Ou-Yang, Hua-Yong","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium perchlorate","Acta Crystallographica Section E","2012","68","4","o1236","","10.1107/S1600536812012792","","","0.71073","MoKα","","0.1209","0.0702","","","0.1731","0.2017","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234468","8.3896","0.0008","11.2569","0.0011","12.72","0.0012","106.12","0.002","103.025","0.002","95.853","0.002","1106.85","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[bis(3-methyl-5-phenyl-1<i>H</i>- pyrazole-κ<i>N</i>^2^)(nitrato-κ<i>O</i>)copper(II)]","","- C42 H46 Cu2 N10 O8 -","- C42 H46 Cu2 N10 O8 -","- C42 H46 Cu2 N10 O8 -","1","0.5","XU5488","Li, Xu-Guang; Gao, Meng-Meng; Ng, Seik Weng","Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[bis(3-methyl-5-phenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(nitrato-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2012","68","4","m503","","10.1107/S160053681201241X","","","0.71073","MoKα","","0.0692","0.0416","","","0.1004","0.1162","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234469","9.6204","0.0005","10.3698","0.0005","11.6946","0.0006","104.244","0.001","101.913","0.001","113.834","0.001","970.87","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dichloridobis(quinoline-κ<i>N</i>)platinum(II) nitromethane monosolvate","","- C19 H17 Cl2 N3 O2 Pt -","- C19 H17 Cl2 N3 O2 Pt -","- C38 H34 Cl4 N6 O4 Pt2 -","2","1","XU5489","Ha, Kwang","<i>cis</i>-Dichloridobis(quinoline-κ<i>N</i>)platinum(II) nitromethane monosolvate","Acta Crystallographica Section E","2012","68","4","m491","","10.1107/S1600536812012469","","","0.71073","MoKα","","0.0388","0.0299","","","0.0605","0.0842","","","","","","1.238","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234470","10.1598","0.0008","11.1275","0.0009","30.387","0.002","90","","90","","90","","3435.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3β,18β,20β)-<i>N</i>-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29- carboxamide methanol monosolvate","","- C35 H56 N2 O8 -","- C35 H56 N2 O8 -","- C140 H224 N8 O32 -","4","1","XU5490","Czollner, Laszlo; Jordis, Ulrich; Mereiter, Kurt","(3β,18β,20β)-<i>N</i>-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1229","o1230","10.1107/S1600536812012561","","","0.71073","MoKα","","0.0519","0.0444","","","0.1145","0.1218","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234471","3.8298","0.0005","6.5626","0.0009","14.5831","0.0018","98.001","0.01","95.315","0.011","92.963","0.011","360.62","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(pyridine-3-carboxylic acid-κ<i>N</i>)mercury(II)]-di-μ-chlorido]","","- C12 H10 Cl2 Hg N2 O4 -","- C12 H10 Cl2 Hg N2 O4 -","- C12 H10 Cl2 Hg N2 O4 -","1","0.5","XU5491","Shirvan, Sadif A.; Haydari Dezfuli, Sara","<i>catena</i>-Poly[[bis(pyridine-3-carboxylic acid-κ<i>N</i>)mercury(II)]-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","4","m516","","10.1107/S1600536812012986","","","0.71073","MoKα","","0.0319","0.0318","","","0.0811","0.0816","","","","","","0.833","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234472","7.9475","0.0002","19.7551","0.0004","9.707","0.0003","90","","108.642","0.003","90","","1444.08","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(2-iodobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","","- C26 H24 Co I2 N4 O8 -","- C26 H24 Co I2 N4 O8 -","- C52 H48 Co2 I4 N8 O16 -","2","0.5","XU5493","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(2-iodobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section E","2012","68","4","m521","m522","10.1107/S160053681201330X","","","0.71073","MoKα","","0.0499","0.0463","","","0.1088","0.1103","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234473","10.5183","0.0002","12.9132","0.0003","12.9861","0.0002","90","","112.723","0.002","90","","1626.93","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Chloro-4-[(<i>E</i>)-2-(2,5-dimethoxybenzylidene)hydrazin-1-yl]quinoline","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C72 H64 Cl4 N12 O8 -","4","1","XU5494","de Souza, Marcus V. N.; de Ferreira, Marcelle; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","7-Chloro-4-[(<i>E</i>)-2-(2,5-dimethoxybenzylidene)hydrazin-1-yl]quinoline","Acta Crystallographica Section E","2012","68","4","o1244","o1245","10.1107/S1600536812012871","","","0.71073","MoKα","","0.0538","0.0408","","","0.0991","0.1073","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234474","7.6815","0.0002","9.7491","0.0003","10.8418","0.0003","87.831","0.002","87.171","0.002","87.146","0.002","809.41","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>E</i>)-2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate","","- C16 H14 Cl3 N3 O -","- C16 H14 Cl3 N3 O -","- C32 H28 Cl6 N6 O2 -","2","1","XU5495","Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.; de Ferreira, Marcelle; de Souza, Marcus V. N.","4-[(<i>E</i>)-2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate","Acta Crystallographica Section E","2012","68","4","o1232","o1233","10.1107/S1600536812012962","","","0.71073","MoKα","","0.0552","0.0407","","","0.0945","0.1027","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234475","9.572","0.003","19.276","0.004","8.289","0.005","90","","106.48","0.003","90","","1466.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-1<i>H</i>-imidazol-3-ium 3-carboxyprop-2-enoate‒fumaric acid (2/1)","","- C30 H28 N4 O12 -","- C30 H28 N4 O12 -","- C60 H56 N8 O24 -","2","0.5","YK2037","Guo, Hong; Zhang, Xin; Li, Jian-Xia","2-Phenyl-1<i>H</i>-imidazol-3-ium hydrogen fumarate‒fumaric acid (2/1)","Acta Crystallographica Section E","2012","68","4","o1021","","10.1107/S1600536812005557","","","0.71073","MoKα","","0.0445","0.0314","","","0.088","0.0909","","","","","","1.004","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2234476","6.7713","0.0016","8.917","0.002","20.339","0.005","90","","92.489","0.004","90","","1226.9","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4- ylidene)(4-nitrophenyl)methyl]amino}-3-phenylpropanoate","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C54 H48 N8 O10 -","2","1","YK2041","Zhang, Xin; Sun, Chen; Li, Fei-ran; Zhang, Hua","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(4-nitrophenyl)methyl]amino}-3-phenylpropanoate","Acta Crystallographica Section E","2012","68","4","o1062","","10.1107/S1600536812010343","","","0.71073","MoKα","","0.0551","0.0399","","","0.0967","0.1062","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234477","7.734","0.004","9.701","0.005","17.673","0.008","90","","96.66","0.007","90","","1317","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-2-hydroxyethylmaleimide","1-(2-Hydroxyethyl)pyrrole-2,5-dione","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C48 H56 N8 O24 -","8","2","YK2042","Tan, Xue-Jie; Du, Ting-Wen; Xing, Dian-Xiang; Liu, Yun","1-(2-Hydroxyethyl)pyrrole-2,5-dione","Acta Crystallographica Section E","2012","68","4","o970","","10.1107/S1600536812008938","","","0.71073","MoKα","","0.1186","0.0809","","","0.1985","0.2169","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234478","9.4109","0.0019","12.867","0.003","13.501","0.003","63.35","0.03","83.08","0.03","82.51","0.03","1445.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(4-methylanilinium) pentachloridoantimonate(III) chloride monohydrate","","- C21 H32 Cl6 N3 O Sb -","- C21 H32 Cl6 N3 O Sb -","- C42 H64 Cl12 N6 O2 Sb2 -","2","1","YK2046","Xu, Qian","Tris(4-methylanilinium) pentachloridoantimonate(III) chloride monohydrate","Acta Crystallographica Section E","2012","68","4","m438","","10.1107/S1600536812009427","","","0.71073","MoKα","","0.0322","0.0275","","","0.068","0.0748","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234479","8.7782","0.0018","9.0316","0.0018","11.923","0.002","87.1","0.03","74.74","0.03","88.77","0.03","910.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethylammonium guanidinium naphthalene-1,5-disulfonate","","- C13 H20 N4 O6 S2 -","- C13 H20 N4 O6 S2 -","- C26 H40 N8 O12 S4 -","2","1","YK2047","Wei, Bin","Dimethylammonium guanidinium naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","4","o1123","","10.1107/S1600536812011099","","","0.71073","MoKα","","0.0677","0.046","","","0.1097","0.1211","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234480","19.2421","0.0004","11.6938","0.0002","24.9769","0.0005","90","","90","","90","","5620.13","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Bis(diphenylphosphanyl)-1,1,2,3,3,4-hexaphenyl- 1,3-diphospha-2,4-diboracyclobutane tetrahydrofuran sesquisolvate","","- C66 H62 B2 O1.5 P4 -","- C66 H62 B2 O1.5 P4 -","- C264 H248 B8 O6 P16 -","4","0.5","YK2048","Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","2,4-Bis(diphenylphosphanyl)-1,1,2,3,3,4-hexaphenyl-1,3-diphospha-2,4-diboracyclobutane tetrahydrofuran sesquisolvate","Acta Crystallographica Section E","2012","68","4","o1125","","10.1107/S1600536812011361","","","0.71073","MoKα","","0.0732","0.0412","","","0.0895","0.0958","","","","","","0.867","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234481","9.3857","0.0017","11.2748","0.0017","12.615","0.002","105.715","0.014","97.969","0.014","103.167","0.014","1222.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,2,21,21-tetrakis(trifluoromethyl)-7,16,26,35- tetraoxaheptacyclo[34.2.2.2^3,6^.2^17,20^.2^22,25^.0^9,14^.0^28,33^] hexatetraconta-1(38),3,5,9,11,13,17,19,22,24,28(33),29,31,36,39,41,43,45- octadecaene-8,15,27,34-tetrone tetrahydrofuran monosolvate","5,7,13,15-Tetraoxo-2,2,10,10-tetrakis(trifluoromethyl)-4,8,12,16- tetraoxa1-(1,4),3(1,4),6(1,2),9(1,4),11(1,4),14(1,2)-hexabenzenahexadecaphane tetrahydrofuran monosolvate","","- C50 H32 F12 O9 -","- C50 H32 F12 O9 -","- C50 H32 F12 O9 -","1","0.5","ZJ2060","Guo, Qing-Zhong; Du, Yi","5,7,13,15-Tetraoxo-2,2,10,10-tetrakis(trifluoromethyl)-4,8,12,16-tetraoxa-1(1,4),3(1,4),6(1,2),9(1,4),11(1,4),14(1,2)-hexabenzenahexadecaphane tetrahydrofuran monosolvate","Acta Crystallographica Section E","2012","68","4","o1126","","10.1107/S1600536812011166","","","0.71073","MoKα","","0.1453","0.0652","","","0.14","0.1577","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234482","8.8101","0.0007","33.555","0.003","9.4453","0.0007","90","","108.723","0.002","90","","2644.5","0.4","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium bis(trichloroacetate) 0.4-hydrate","","- C21 H20.8 Cl6 F2 N2 O4.4 -","- C21 H20.796 Cl6 F2 N2 O4.398 -","- C84 H83.184 Cl24 F8 N8 O17.592 -","4","1","ZJ2061","Dayananda, A. S.; Yathirajan, H. S.; Flörke, Ulrich","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium bis(trichloroacetate) 0.4-hydrate","Acta Crystallographica Section E","2012","68","4","o968","","10.1107/S1600536812009282","","","0.71073","MoKα","","0.0482","0.0401","","","0.0899","0.0936","","","","","","1.117","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234483","12.5776","0.0008","16.531","0.001","7.9421","0.0005","90","","97.759","0.001","90","","1636.21","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[(3,5-Diphenyl-1<i>H</i>-pyrazol-1-yl)methyl]pyridine","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","ZJ2063","Guzei, Ilia A.; Okemwa, Teddy T.; Ojwach, Stephen O.","2-[(3,5-Diphenyl-1<i>H</i>-pyrazol-1-yl)methyl]pyridine","Acta Crystallographica Section E","2012","68","4","o1190","","10.1107/S1600536812011804","","","0.71073","MoKα","","0.0411","0.0373","","","0.0939","0.0978","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234484","7.0559","0.0014","15.04","0.003","8.1578","0.0016","90","","93.92","0.03","90","","863.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[triaquacopper(II)]-μ~2~-furan-2,5-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]","","- C6 H8 Cu O8 -","- C6 H8 Cu O8 -","- C24 H32 Cu4 O32 -","4","1","ZJ2064","Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-lin; Gao, Wen-Yuan","<i>catena</i>-Poly[[triaquacopper(II)]-μ~2~-furan-2,5-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","4","m445","","10.1107/S1600536812010161","","","0.71073","MoKα","","0.042","0.0314","","","0.0668","0.0699","","","","","","1.092","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234485","9.439","0.004","10.095","0.004","10.623","0.005","113.115","0.002","107.321","0.002","91.625","0.002","876.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dichloridobis[dicyclohexyl(phenyl)phosphane- κ<i>P</i>]palladium(II)","","- C36 H54 Cl2 P2 Pd -","- C36 H54 Cl2 P2 Pd -","- C36 H54 Cl2 P2 Pd -","1","0.5","ZL2455","Burgoyne, Andrew R.; Meijboom, Reinout; Ogutu, Hezron","<i>trans</i>-Dichloridobis[dicyclohexyl(phenyl)phosphane-κ<i>P</i>]palladium(II)","Acta Crystallographica Section E","2012","68","4","m404","","10.1107/S1600536812010100","","","0.71069","MoKα","","0.0209","0.0205","","","0.0508","0.0511","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234486","9.189","0.0018","9.3548","0.0019","10.39","0.002","78.74","0.03","88.64","0.03","73.68","0.03","840.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis[μ~4~-5-nitroisophthalato- κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^3'^]bis[μ~3~-pyridine-4- carboxylato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>]tricobalt(II)] tetrahydrate]","","- C28 H26 Co3 N4 O22 -","- C28 H26 Co3 N4 O22 -","- C28 H26 Co3 N4 O22 -","1","0.5","ZL2461","Yin, Xia; Fan, Jun; Xin, Jingling; Zheng, Shengrun; Zhang, Weiguang","Poly[[diaquabis[μ~4~-5-nitroisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^3'^]bis[μ~3~-pyridine-4-carboxylato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>]tricobalt(II)] tetrahydrate]","Acta Crystallographica Section E","2012","68","4","m451","m452","10.1107/S1600536812011269","","","0.71073","MoKα","","0.0301","0.0265","","","0.0688","0.071","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234487","9.7368","0.0004","9.9771","0.0004","13.4045","0.0005","90.103","0.003","97.013","0.003","100.931","0.004","1268.57","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Chlorido{4-cyclohexyl-1-[1-(pyridin-2-yl- κ<i>N</i>)ethylidene]thiosemicarbazidato- κ^2^<i>N</i>^1^,<i>S</i>}diphenyltin(IV)","","- C26 H29 Cl N4 S Sn -","- C26 H29 Cl N4 S Sn -","- C52 H58 Cl2 N8 S2 Sn2 -","2","1","ZL2462","Affan, Md. Abu; Salam, Md. Abdus; Jusoh, Ismail; Ng, Seik Weng; Tiekink, Edward R. T.","Chlorido{4-cyclohexyl-1-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}diphenyltin(IV)","Acta Crystallographica Section E","2012","68","4","m435","m436","10.1107/S1600536812010902","","","0.71073","MoKα","","0.0377","0.0289","","","0.056","0.0607","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234488","10.9397","0.0001","9.4251","0.0001","15.4833","0.001","90","","96.414","0.007","90","","1586.46","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Deoxy-1,2-di-<i>O</i>-isopropylidene-5-<i>O</i>-tosyl-<i>D</i>-<i>threo</i>- pentofuranose","","- C15 H20 O6 S -","- C15 H20 O6 S -","- C60 H80 O24 S4 -","4","2","ZL2463","Doboszewski, Bogdan; e Silva, Maria J.; Nazarenko, Alexander Y.; Nemykin, Victor N.","3-Deoxy-1,2-di-<i>O</i>-isopropylidene-5-<i>O</i>-tosyl-<small>D</small>-<i>threo</i>-pentofuranose","Acta Crystallographica Section E","2012","68","4","o1109","o1110","10.1107/S1600536812010884","","","1.54187","CuKα","","0.0378","0.0343","","","0.0829","0.0865","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234489","15.231","0.004","9.994","0.003","15.289","0.004","90","","102.889","0.005","90","","2268.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-{[2,6-Bis(1-methylethyl)phenyl]imino-<i>κN</i>}-1-phenylbut-1-en-1-olato- <i>κO</i>](dimethyl)aluminium","","- C24 H32 Al N O -","- C24 H32 Al N O -","- C96 H128 Al4 N4 O4 -","4","1","ZQ2142","Hao, Haijun; Zhu, Baichun; Yi, Jianjun","(3-{[2,6-Bis(1-methylethyl)phenyl]imino-κ<i>N</i>}-1-phenylbut-1-en-1-olato-κ<i>O</i>)dimethylaluminium","Acta Crystallographica Section E","2012","68","4","m351","m352","10.1107/S1600536812005880","","","0.71073","MoKα","","0.1505","0.062","","","0.1136","0.1415","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234490","10.298","0.007","17.649","0.012","18.009","0.009","90","","123.94","0.03","90","","2715","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~- <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine- κ^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(II)]","","- C58 H52 Cl4 Cu4 N2 P4 -","- C58 H52 Cl4 Cu4 N2 P4 -","- C116 H104 Cl8 Cu8 N4 P8 -","2","0.5","ZQ2150","Liu, Jia-Qin; Zhang, Yan; Lü, Ya-Jing; Jiang, Zhen-Jü","Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-κ^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(II)]","Acta Crystallographica Section E","2012","68","4","m430","","10.1107/S1600536812010860","","","0.71073","MoKα","","0.1079","0.0541","","","0.1237","0.1428","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234491","10.3224","0.0006","12.0389","0.0004","25.3311","0.0013","90","","96.798","0.004","90","","3125.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chlorobenzoyl-<i>meso</i>-octamethylcalix[2]pyrrolidino[2]pyrrole","21-[(4-chlorophenyl)carbonyl]-2,2,7,7,12,12,17,17-octamethyl-21,22,23,24- tetraazapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa-3,5,13,15-tetraene","","- C35 H47 Cl N4 O -","- C35 H47 Cl N4 O -","- C140 H188 Cl4 N16 O4 -","4","1","ZQ2154","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","4-Chlorobenzoyl-<i>meso</i>-octamethylcalix[2]pyrrolidino[2]pyrrole: an acyl chloride derivative of a partially reduced calix[4] pyrrole","Acta Crystallographica Section E","2012","68","4","o976","o977","10.1107/S1600536812007003","","","0.71073","MoKα","","0.0883","0.0534","","","0.0932","0.102","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234492","10.0523","0.0005","15.5135","0.0006","11.2729","0.0006","90","","114.8","0.004","90","","1595.84","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>*,6<i>S</i>*,7a<i>R</i>*)-7a-Chloro-6-methyl-2-(4- methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1<i>H</i>-isoindole","","- C16 H18 Cl N O3 S -","- C16 H18 Cl N O3 S -","- C64 H72 Cl4 N4 O12 S4 -","4","1","ZQ2155","Temel, Ersin; Demircan, Aydın; Beyazova, Gözde; Büyükgüngör, Orhan","(3a<i>R</i>*,6<i>S</i>*,7a<i>R</i>*)-7a-Chloro-6-methyl-2-(4-methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1<i>H</i>-isoindole","Acta Crystallographica Section E","2012","68","4","o1102","o1103","10.1107/S1600536812009658","","","0.71073","MoKα","","0.047","0.0383","","","0.0968","0.1011","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234493","8.565","0.003","12.245","0.005","14.23","0.005","90","","95.406","0.008","90","","1485.8","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κ<i>O</i>)(di-2-pyridylamine- κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II)","","- C14 H15 N3 O4 Pd -","- C14 H15 N3 O4 Pd -","- C56 H60 N12 O16 Pd4 -","4","1","ZQ2158","Ha, Kwang","Bis(acetato-κ<i>O</i>)(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II)","Acta Crystallographica Section E","2012","68","4","m502","","10.1107/S1600536812012093","","","0.71073","MoKα","","0.0926","0.0485","","","0.0938","0.1164","","","","","","0.922","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234494","6.2558","0.0001","10.1449","0.0001","18.5682","0.0002","90","","90","","90","","1178.42","0.03","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>- methylhydrazinecarbothioamide","","- C10 H9 Cl N4 O S -","- C10 H9 Cl N4 O S -","- C40 H36 Cl4 N16 O4 S4 -","4","1","ZS2177","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o964","o965","10.1107/S1600536812007386","","","0.71073","MoKα","","0.0539","0.0374","","","0.0702","0.0779","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234495","19.1342","0.0018","13.21","0.0004","13.328","0.0013","90","","131.056","0.002","90","","2540.3","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Tetraaquabis{5-[4-(1<i>H</i>-imidazol-1-yl- κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II) dihydrate","","- C20 H26 Mn N12 O6 -","- C20 H26 Mn N12 O6 -","- C80 H104 Mn4 N48 O24 -","4","0.5","ZS2182","Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; Li, Shi-Jie; An, Jing-Bo","<i>cis</i>-Tetraaquabis{5-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","4","m433","m434","10.1107/S1600536812010446","","","0.71073","MoKα","","0.0656","0.0563","","","0.1391","0.1419","","","","","","1.307","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234496","19.239","0.003","13.141","0.002","13.417","0.002","90","","129.912","0.002","90","","2601.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Tetraaquabis{5-[4-(1<i>H</i>-imidazol-1-yl- κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II) dihydrate","","- C20 H26 Mn N12 O6 -","- C20 H26 Mn N12 O6 -","- C80 H104 Mn4 N48 O24 -","4","0.5","ZS2184","Wang, Xin; Yan, Shi-Wei; Chang, Suo-Cheng; Liang, Yan-Chen; Zhang, Fu-Tian","<i>cis</i>-Tetraaquabis{5-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","4","m413","m414","10.1107/S1600536812010380","","","0.71073","MoKα","","0.054","0.037","","","0.0899","0.0987","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234497","11.1706","0.0008","8.6735","0.0006","19.0956","0.0014","90","","100.978","0.001","90","","1816.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[2-({6-[(pyrimidin-2-ylsulfanyl-κ<i>S</i>)methyl]pyridin-2- yl-κ<i>N</i>}methylsulfanyl)pyrimidine]copper(I)]-μ-thiocyanato- κ^2^<i>N</i>:<i>S</i>]","","- C16 H13 Cu N6 S3 -","- C16 H13 Cu N6 S3 -","- C64 H52 Cu4 N24 S12 -","4","1","ZS2186","Peng, Rong; Ng, Seik Weng","<i>catena</i>-Poly[[[2-({6-[(pyrimidin-2-ylsulfanyl-κ<i>S</i>)methyl]pyridin-2-yl-κ<i>N</i>}methylsulfanyl)pyrimidine]copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","4","m429","","10.1107/S160053681201063X","","","0.71073","MoKα","","0.0629","0.0456","","","0.1152","0.1249","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234498","12.7461","0.0007","12.9824","0.0007","34.4022","0.0012","90","","90","","90","","5692.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","41-Azido-41-deoxyrapamycin","","- C51 H78 N4 O12 -","- C51 H78 N4 O12 -","- C204 H312 N16 O48 -","4","1","ZS2189","Xie, Lijun; Huang, Jie; Zuo, Jian; Yu, Hui; Cheng, Yuanrong","41-Azido-41-deoxyrapamycin","Acta Crystallographica Section E","2012","68","4","o1206","o1207","10.1107/S1600536812012548","","","1.54184","CuKα","","0.1406","0.0925","","","0.2715","0.3314","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234499","7.621","0.0006","8.0589","0.0007","9.1641","0.0009","102.783","0.001","97.544","0.001","106.036","0.002","516.29","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[(diaquastrontium)-bis{μ-5-[4-(1<i>H</i>-imidazol- 1-yl)phenyl]tetrazolido}]","","- C20 H18 N12 O2 Sr -","- C20 H18 N12 O2 Sr -","- C20 H18 N12 O2 Sr -","1","0.5","ZS2191","Tong, Shao-Wei; Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; Deng, Qi","<i>catena</i>-Poly[(diaquastrontium)-bis{μ-5-[4-(1<i>H</i>-imidazol-1-yl)phenyl]tetrazolido}]","Acta Crystallographica Section E","2012","68","4","m523","m524","10.1107/S1600536812013347","","","0.71073","MoKα","","0.0379","0.0361","","","0.1156","0.1184","","","","","","1.167","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234500","11.599","0.002","9.0747","0.0018","10.743","0.002","90","","107.081","0.003","90","","1080.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[4-(2-Hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-1-yl]phenol","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","1","ZS2192","Zhang, Li-Li; Yu, Kai; Liu, Ling-Ling; Guo, Dian-Shun","2-[4-(2-Hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-1-yl]phenol","Acta Crystallographica Section E","2012","68","4","o1262","","10.1107/S1600536812012925","","","0.71073","MoKα","","0.0487","0.0413","","","0.1048","0.1089","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234501","12.587","0.003","13.466","0.003","15.872","0.003","91.82","0.03","107.75","0.03","112.2","0.03","2339.1","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8- <i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate","6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8- <i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate","","- C67 H40 Cl2 O2 -","- C67 H40 Cl2 O2 -","- C134 H80 Cl4 O4 -","2","1","AA2047","Li, Shuhong; Chen, Limin; Xu, Caihong","6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8-<i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","o1284","","10.1107/S1600536812013621","","","0.71073","MoKα","","0.1343","0.0868","","","0.1351","0.1475","","","","","","1.255","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234502","27.016","0.005","10.267","0.002","13.835","0.003","90","","117.04","0.03","90","","3418","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Bis(thiophen-2-yl)pyrazine[2,3-<i>f</i>][1,10]phenanthroline","","- C22 H12 N4 S2 -","- C22 H12 N4 S2 -","- C176 H96 N32 S16 -","8","1","AA2049","Zheng, Chang-Ge; Kong, Jun; Zhang, Peng; Dong, Wen-Xian","2,3-Bis(thiophen-2-yl)pyrazine[2,3-<i>f</i>][1,10]phenanthroline","Acta Crystallographica Section E","2012","68","5","o1443","","10.1107/S160053681201522X","","","0.71073","MoKα","","0.0864","0.0632","","","0.1189","0.13","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234503","16.674","0.004","12.197","0.003","17.936","0.004","90","","96.445","0.004","90","","3624.6","1.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3',6'-Bis(diethylamino)-2-[(<i>E</i>)-2-(4-hydroxy-3- methoxybenzylideneamino)ethyl]spiro[isoindoline-1,9'-xanthen]-3-one ethanol monosolvate","","- C40 H48 N4 O5 -","- C40 H48 N4 O5 -","- C160 H192 N16 O20 -","4","1","BG2444","Wei, Zhen; Guo, Jinlong; Zheng, Xujun; Chen, Shunwei; Wan, Qun","3',6'-Bis(diethylamino)-2-[(<i>E</i>)-2-(4-hydroxy-3-methoxybenzylideneamino)ethyl]spiro[isoindoline-1,9'-xanthen]-3-one ethanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1479","","10.1107/S1600536812016741","","","0.71073","MoKα","","0.0606","0.0491","","","0.1122","0.1188","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234504","9.3014","0.0017","9.3146","0.0017","11.009","0.002","105.413","0.003","91.798","0.003","100.985","0.003","899.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","5,6,7,5'-Tetramethoxy-3',4'-methylenedioxyflavone monohydrate","5,6,7-trimethoxy-2-(7-methoxy-1,3-dihydro-2-benzofuran-5-yl)- 4<i>H</i>-chromen-4-one monohydrate","","- C20 H20 O9 -","- C20 H20 O9 -","- C40 H40 O18 -","2","1","BG2446","Li, Hou-Jin; Zhou, Da-Lang; Xu, Ting-Juan; Lam, Chi-Keung; Lan, Wen-Jian","5,6,7,5'-Tetramethoxy-3',4'-methylenedioxyflavone monohydrate","Acta Crystallographica Section E","2012","68","5","o1390","","10.1107/S1600536812015139","","","0.71073","MoKα","","0.049","0.0399","","","0.1085","0.1168","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234505","7.3795","0.0008","20.706","0.004","11.028","0.002","90","","90","","90","","1685.1","0.5","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[bis(1-carbamoylguanidinium) [tri-μ-chlorido-dichloridobismuthate(III)]]","","- C4 H14 Bi Cl5 N8 O2 -","- C4 H14 Bi Cl5 N8 O2 -","- C16 H56 Bi4 Cl20 N32 O8 -","4","0.5","BG2453","Ferjani, Hel; Boughzala, Habib; Driss, Ahmed","Poly[bis(1-carbamoylguanidinium) [tri-μ-chlorido-dichloridobismuthate(III)]]","Acta Crystallographica Section E","2012","68","5","m615","","10.1107/S1600536812015668","","","0.71073","MoKα","","0.0371","0.0292","","","0.0761","0.0798","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234506","6.6764","0.0013","6.7958","0.0014","10.251","0.002","93.66","0.03","103.3","0.03","96.77","0.03","447.48","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1<i>H</i>-imidazol-3-ium) naphthalene-1,5-disulfonate","","- C16 H16 N4 O6 S2 -","- C16 H16 N4 O6 S2 -","- C16 H16 N4 O6 S2 -","1","0.5","BH2419","Wei, Bin","Bis(1<i>H</i>-imidazol-3-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","5","o1529","","10.1107/S1600536812016972","","","0.71073","MoKα","","0.0389","0.036","","","0.093","0.0945","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234507","10.1929","0.0019","14.576","0.002","9.2565","0.0015","90","","96.499","0.014","90","","1366.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethylpropanoato-κ<i>N</i>^3^]dichloridocopper(II)","","- C24 H30 Cl2 Cu N6 O4 -","- C24 H30 Cl2 Cu N6 O4 -","- C48 H60 Cl4 Cu2 N12 O8 -","2","0.5","BH2425","Cao, Gang; Guo, Ting; Xu, Sen","Bis[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethylpropanoato-κ<i>N</i>^3^]dichloridocopper(II)","Acta Crystallographica Section E","2012","68","5","m607","","10.1107/S1600536812015486","","","0.71073","MoKα","","0.0652","0.052","","","0.0967","0.1014","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234508","9.4779","0.0004","11.4478","0.0005","13.1117","0.0007","95.155","0.004","104.118","0.004","94.626","0.003","1366.31","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(4-Butoxyphenyl)(1<i>H</i>-pyrrol-2-yl)methanone","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","2","BH2427","Prakash, V.; Kapoor, Kamini; Shet Prakash, M.; Gupta, Vivek K.; Kant, Rajni","(4-Butoxyphenyl)(1<i>H</i>-pyrrol-2-yl)methanone","Acta Crystallographica Section E","2012","68","5","o1521","","10.1107/S1600536812017370","","","0.71073","MoKα","","0.0942","0.0556","","","0.1349","0.1604","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234509","7.2061","0.0008","9.521","0.001","14.2862","0.0016","104.132","0.001","90.804","0.001","95.82","0.001","944.84","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(4-Bromophenyl)-2-[(1-cyclohexylmethyl-1<i>H</i>-1,2,4-triazol- 3-yl)sulfanyl]acetamide","","- C17 H21 Br N4 O S -","- C17 H21 Br N4 O S -","- C34 H42 Br2 N8 O2 S2 -","2","1","BQ2348","Wang, Yue-Ping; Yan, Wan-Lu; Guo, Qiong; He, Yan-Ping","<i>N</i>-(4-Bromophenyl)-2-[(1-cyclohexylmethyl-1<i>H</i>-1,2,4-triazol-3-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2012","68","5","o1495","","10.1107/S1600536812015991","","","0.71073","MoKα","","0.0719","0.0379","","","0.0789","0.0917","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234510","8.3521","0.0003","7.7547","0.0002","15.1953","0.0005","90","","104.447","0.003","90","","953.05","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol- κ^2^<i>N</i>,<i>O</i>]copper(II)","","- C18 H24 Cu N2 O6 -","- C18 H24 Cu N2 O6 -","- C36 H48 Cu2 N4 O12 -","2","0.5","BQ2349","Lapanje, Katja; Leban, Ivan; Lah, Nina","Bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section E","2012","68","5","m599","","10.1107/S1600536812015747","","","0.71073","MoKα","","0.035","0.0276","","","0.0672","0.0721","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234511","13.5502","0.0014","3.8932","0.0004","29.816","0.003","90","","103.075","0.002","90","","1532.1","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1<i>Z</i>,2<i>E</i>)-<i>N</i>'-{1-[2-(4-Bromophenyl)hydrazin-1-ylidene]-1-chloropropan-2-ylidene}thiophene-2-carbohydrazide","","- C14 H12 Br Cl N4 O S -","- C14.008 H12 Br Cl N4 O S -","- C56.032 H48 Br4 Cl4 N16 O4 S4 -","4","1","BQ2351","Fun, Hoong-Kun; Chantrapromma, Suchada; Abdel-Aziz, Hatem A.","(1<i>Z</i>,2<i>E</i>)-<i>N</i>'-{1-[2-(4-Bromophenyl)hydrazin-1-ylidene]-1-chloropropan-2-ylidene}thiophene-2-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1510","o1511","10.1107/S1600536812017114","","","0.71073","MoKα","","0.0502","0.031","","","0.0669","0.0745","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234512","7.8949","0.0004","9.1639","0.0005","11.0285","0.0006","81.392","0.004","81.276","0.003","81.682","0.004","773.68","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-carboxypyridinium chloride hemihydrate","","- C6 H8 Cl N2 O2.5 -","- C6 H8 Cl N2 O2.5 -","- C24 H32 Cl4 N8 O10 -","4","2","BQ2352","Bouchene, Rafika; Bouacida, Sofiane; Berrah, Fadila; Daran, Jean-Claude","2-Amino-3-carboxypyridinium chloride hemihydrate","Acta Crystallographica Section E","2012","68","5","o1493","o1494","10.1107/S1600536812017230","","","0.71073","MoKα","","0.0427","0.0297","","","0.0744","0.08","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234513","7.4425","0.0004","5.0493","0.0003","15.2452","0.0007","90","","107.381","0.003","90","","546.75","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lithiotantite","lithium tritantalum octaoxide","","- Li0.96 Mn0.03 Na0.01 Nb0.82 O8 Ta2.18 -","- Li0.96 Mn0.03 Na0.01 Nb0.82 O8 Ta2.18 -","- Li3.84 Mn0.12 Na0.04 Nb3.28 O32 Ta8.72 -","4","1","BR2193","Menezes Filho, Luiz A.D.; Yang, Hexiong; Downs, Robert T.; Chaves, Mário L. S. C.; Persiano, Aba C.","Lithiotantite, ideally LiTa~3~O~8~","Acta Crystallographica Section E","2012","68","5","i27","i28","10.1107/S1600536812013566","","","0.71073","MoKα","","0.0348","0.0275","","","0.0558","0.0583","","","","","","1.348","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234514","11.24742","0.00018","24.4932","0.0003","11.49947","0.00016","90","","99.5311","0.0014","90","","3124.2","0.08","110","1","110","1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","bis(pentane-1,5-diaminium) iodide tris(triiodide)","","- C10 H32 I10 N4 -","- C10 H32 I10 N4 -","- C40 H128 I40 N16 -","4","1","BR2194","van Megen, Martin; Reiss, Guido J.","The pseudosymmetric structure of bis(pentane-1,5-diaminium) iodide tris(triiodide)","Acta Crystallographica Section E","2012","68","5","o1331","o1332","10.1107/S1600536812014420","","","0.71073","MoKα","","0.0265","0.0237","","","0.0479","0.0484","","","","","","1.784","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234515","10.567","0.003","20.531","0.004","6.388","0.001","90","","90","","90","","1385.9","0.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","potassium strontium trialuminium tetraarsenate","","- Al3 As4 K1.8 O16 Sr0.6 -","- Al3 As4 K1.8 O16 Sr0.6 -","- Al12 As16 K7.2 O64 Sr2.4 -","4","","BR2195","Haj Abdallah, Anissa; Haddad, Amor","The aluminoarsenate K~1.8~Sr~0.6~Al~3~(AsO~4~)~4~","Acta Crystallographica Section E","2012","68","5","i29","","10.1107/S1600536812014304","","","0.71073","MoKα","","0.0444","0.0387","","","0.107","0.1118","","","","","","1.089","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234516","8.609","0.005","6.486","0.004","12.868","0.008","90","","106.91","0.01","90","","687.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Distrontium lithium beryllium triborate","","- B3 Be Li O8 Sr2 -","- B3 Be Li O8 Sr2 -","- B12 Be4 Li4 O32 Sr8 -","4","1","BR2197","Yu, Na; Ye, Ning","Distrontium lithium beryllium triborate, Sr~2~LiBeB~3~O~8~","Acta Crystallographica Section E","2012","68","5","i32","","10.1107/S1600536812015164","","","0.71073","MoKα","","0.0301","0.0259","","","0.0585","0.0602","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234517","13.5003","0.001","10.2566","0.0006","16.7453","0.0012","90","","97.027","0.006","90","","2301.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-nitro-2-{[2- (oxidomethyl)phenyl]iminomethyl}phenolato)bis[chlorido(dimethyl sulfoxide)iron(III)] dimethyl sulfoxide disolvate","","- C36 H44 Cl2 Fe2 N4 O12 S4 -","- C36 H44 Cl2 Fe2 N4 O12 S4 -","- C72 H88 Cl4 Fe4 N8 O24 S8 -","2","0.5","BR2198","Chygorin, Eduard N.; Rusanova, Julia A.; Zubatyuk, Roman I.; Shishkin, Oleg V.","Bis(μ-4-nitro-2-{[2-(oxidomethyl)phenyl]iminomethyl}phenolato)bis[chlorido(dimethyl sulfoxide)iron(III)] dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2012","68","5","m668","","10.1107/S1600536812017424","","","0.7107","MoKα","","0.1085","0.0589","","","0.1377","0.1601","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234518","6.5336","0.0003","16.3869","0.0007","7.7048","0.0003","90","","98.506","0.004","90","","815.84","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaquatetramanganese(II) <i>catena</i>-[germanodihydroxidodi(hydrogenphosphate)diphosphate]","","- Ge H12 Mn4 O22 P4 -","- Ge H12 Mn4 O22 P4 -","- Ge2 H24 Mn8 O44 P8 -","2","0.5","BR2199","Zhang, Xin; Wen, Lei; Chen, Hong-Ming; Mi, Jin-Xiao; Huang, Ya-Xi","Tetraaquatetramanganese(II) <i>catena</i>-[germanodihydroxidodi(hydrogenphosphate)diphosphate]","Acta Crystallographica Section E","2012","68","5","i37","i38","10.1107/S160053681201673X","","","0.71073","MoKα","","0.0581","0.0423","","","0.061","0.0642","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234519","18.2243","0.0017","3.8253","0.0005","23.622","0.003","90","","96.61","0.01","90","","1635.8","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7-Dichloroquinoline","","- C9 H5 Cl2 N -","- C9 H5 Cl2 N -","- C72 H40 Cl16 N8 -","8","2","BT5833","Kulkarni, Amol A.; King, Christopher; Butcher, Ray J.; Fortunak, Joseph M. D.","4,7-Dichloroquinoline","Acta Crystallographica Section E","2012","68","5","o1498","","10.1107/S1600536812014924","","","1.54178","CuKα","","0.1271","0.0961","","","0.272","0.3267","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234520","11.2039","0.001","12.2665","0.0011","19.9774","0.0018","90","","90","","90","","2745.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lurasidone hydrochloride","4-(1,2-benzothiazol-3-yl)-1-({2-[(3,5-dioxo-4-azatricyclo[5.2.1.0^2,6^]decan- 4-yl)methyl]cyclohexyl}methyl)piperazin-1-ium chloride","","- C28 H37 Cl N4 O2 S -","- C28 H37 Cl N4 O2 S -","- C112 H148 Cl4 N16 O8 S4 -","4","1","BT5835","Zhang, Hua; Wang, Hubo; Zhu, Xueyan; Yuan, Zhedong; Jiang, Huijuan","Lurasidone hydrochloride","Acta Crystallographica Section E","2012","68","5","o1357","","10.1107/S1600536812012883","","","0.71073","MoKα","","0.0561","0.0473","","","0.1037","0.1079","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234521","7.0048","0.0006","7.8297","0.0008","21.4256","0.0019","91.371","0.008","91.292","0.007","95.21","0.008","1169.55","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","7-Chloro-4-(piperazin-1-yl)quinoline","","- C13 H14 Cl N3 -","- C13 H14 Cl N3 -","- C52 H56 Cl4 N12 -","4","2","BT5836","Kulkarni, Amol A.; King, Christopher L.; Fortunak, Joseph M. D.; Butcher, Ray J.","7-Chloro-4-(piperazin-1-yl)quinoline","Acta Crystallographica Section E","2012","68","5","o1497","","10.1107/S1600536812014912","","","1.54184","CuKα","","0.0883","0.074","","","0.2183","0.2284","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234522","5.0379","0.0005","10.5453","0.001","13.3936","0.0013","85.274","0.008","82.17","0.008","83.034","0.008","698.14","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[(2-Methoxyethyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine- 5-carbonitrile","","- C12 H17 N3 O2 S -","- C12 H17 N3 O2 S -","- C24 H34 N6 O4 S2 -","2","1","BT5854","El-Emam, Ali A.; Demirtaş, Güneş; Dege, Necmi; Al-Deeb, Omar A.; El-Brollosy, Nasser R.","2-[(2-Methoxyethyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","5","o1379","","10.1107/S1600536812013372","","","0.71073","MoKα","","0.0612","0.0444","","","0.1165","0.1261","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234523","8.651","0.002","41.235","0.01","6.0517","0.0014","90","","90","","90","","2158.8","0.9","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1,3-Bis[(naphthalen-2-ylsulfanyl)methyl]benzene","","- C28 H22 S2 -","- C28 H22 S2 -","- C112 H88 S8 -","4","0.5","BT5855","Padilla-Mata, Esteban; German-Acacio, Juan M.; García-Eleno, Marco A.; Reyes-Martínez, Reyna; Morales-Morales, David","1,3-Bis[(naphthalen-2-ylsulfanyl)methyl]benzene","Acta Crystallographica Section E","2012","68","5","o1429","","10.1107/S1600536812015280","","","0.71073","MoKα","","0.0859","0.0537","","","0.1117","0.1235","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234524","6.865","0.002","16.229","0.005","19.019","0.007","67.43","0.008","86.597","0.013","81.626","0.014","1935.8","1.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Heptaaqua(3,4,5,6-tetrachlorophthalato-κ<i>O</i>^1^)erbium(III) 2-carboxy-3,4,5,6-tetrachlorobenzoate‒3,4,5,6-tetrachlorophthalic acid‒water (1/1/1)","","- C24 H19 Cl12 Er O20 -","- C24 H19 Cl12 Er O20 -","- C48 H38 Cl24 Er2 O40 -","2","1","BT5856","Ouyang, Yan; Shao, Jia; Hao, Lanfang; Lu, Jixin","Heptaaqua(3,4,5,6-tetrachlorophthalato-κ<i>O</i>^1^)erbium(III) 2-carboxy-3,4,5,6-tetrachlorobenzoate‒3,4,5,6-tetrachlorophthalic acid‒water (1/1/1)","Acta Crystallographica Section E","2012","68","5","m662","m663","10.1107/S1600536812016923","","","0.7107","MoKα","","0.0281","0.0238","","","0.0616","0.0628","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234525","24.545","0.008","8.689","0.003","15.809","0.005","90","","90","","90","","3371.6","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl (2<i>E</i>)-2-{[(2-methylquinolin-8-yl)oxy]methyl}-3-(thiophen-2-yl)acrylate","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C152 H136 N8 O24 S8 -","8","1","BT5861","Anand, S.; Narayanan, S.; Sundaramoorthy, S.; Velmurugan, D.","Methyl (2<i>E</i>)-2-{[(2-methylquinolin-8-yl)oxy]methyl}-3-(thiophen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","5","o1496","","10.1107/S1600536812014560","","","0.71073","MoKα","","0.0682","0.0407","","","0.107","0.1221","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234526","14.8888","0.0018","5.8395","0.0006","16.6778","0.0019","90","","91.448","0.003","90","","1449.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Octyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","BT5862","Belaziz, Dounia; Kandri Rodi, Youssef; Essassi, El Mokhtar; El Ammari, Lahcen","1-Octyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1276","","10.1107/S1600536812013384","","","0.71073","MoKα","","0.0801","0.0474","","","0.1226","0.1432","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234527","8.0978","0.0002","10.366","0.0003","28.8194","0.0008","90","","90","","90","","2419.15","0.11","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-13-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl- 3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C25 H34 N2 O6 -","- C25 H34 N2 O6 -","- C100 H136 N8 O24 -","4","1","BT5864","Moumou, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Adil, Mina; Berraho, Moha","10α-Hydroxy-13-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","5","o1309","o1310","10.1107/S1600536812013876","","","0.71073","MoKα","","0.0407","0.0343","","","0.0883","0.0933","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234528","4.8322","0.0003","12.7817","0.001","21.8544","0.0012","90","","90.778","0.005","90","","1349.68","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","BT5865","Rodrigues, Vinola Z.; Gowda, B. Thimme; Sivý, Július; Vrábel, Viktor; Kožíšek, Jozef","2-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzamide","Acta Crystallographica Section E","2012","68","5","o1408","","10.1107/S1600536812015607","","","0.71073","MoKα","","0.1187","0.0924","","","","0.2481","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234529","11.6028","0.0008","35.1","0.003","10.4886","0.0008","90","","100.92","0.007","90","","4194.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Methylbenzoyl)benzenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C168 H156 N12 O36 S12 -","12","3","BT5866","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Methylbenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","5","o1327","","10.1107/S1600536812013931","","","0.71073","MoKα","","0.1657","0.0968","","","0.1264","0.1462","","","","","","1.292","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234530","9.1117","0.0005","12.2995","0.0007","10.1177","0.0005","90","","91.837","0.001","90","","1133.3","0.11","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5,9-trihydroxy-8-oxatetracyclo[7.7.0.0^2,7^.0^10,15^]hexadeca- 2,4,6,10(15),11,13-hexaen-16-one","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","1","BT5867","Devi, T. Uma; Priya, S.; Kalpana, G.; Selvanayagam, S.; Sridhar, B.","Resorcinol ninhydrin complex: 1,5,9-trihydroxy-8-oxatetracyclo[7.7.0.0^2,7^.0^10,15^]hexadeca-2,4,6,10(15),11,13-hexaen-16-one","Acta Crystallographica Section E","2012","68","5","o1323","","10.1107/S1600536812014249","","","0.71073","MoKα","","0.0419","0.0391","","","0.1037","0.1064","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234531","24.935","0.003","7.1911","0.0006","13.9283","0.0016","90","","112.199","0.013","90","","2312.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[3-(pyridin-4-yl)benzoato-κ<i>N</i>]manganese(II)","","- C24 H24 Mn N2 O8 -","- C24 H24 Mn N2 O8 -","- C96 H96 Mn4 N8 O32 -","4","0.5","BT5868","Gao, Ru-Qin; Li, Guo-Ting","Tetraaquabis[3-(pyridin-4-yl)benzoato-κ<i>N</i>]manganese(II)","Acta Crystallographica Section E","2012","68","5","m562","","10.1107/S1600536812014602","","","0.71073","MoKα","","0.0452","0.0335","","","0.0747","0.0792","","","","","","1.05","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2234532","10.298","0.0008","10.0586","0.0009","19.2595","0.0017","90","","90","","90","","1995","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethylammonium 4-hydroxybenzoate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","BT5869","Sornamurthy, B. M.; Peramaiyan, G.; Chakkaravarthi, G.; Kumar, R. Mohan; Manivannan, V.","Dimethylammonium 4-hydroxybenzoate","Acta Crystallographica Section E","2012","68","5","o1445","","10.1107/S1600536812016145","","","0.71073","MoKα","","0.0699","0.047","","","0.1251","0.1431","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234533","3.6477","0.0003","16.9661","0.0012","9.5465","0.0007","90","","97.465","0.001","90","","585.8","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(diaminomethylidene)azanium] 5-(1-oxido-1<i>H</i>-1,2,3,4-tetrazol-5-yl)- 1<i>H</i>-1,2,3,4-tetrazol-1-olate","","- C4 H12 N14 O2 -","- C4 H12 N14 O2 -","- C8 H24 N28 O4 -","2","0.5","BT5870","Fan, Rong; Li, Ping; Ng, Seik Weng","Bis[(diaminomethylidene)azanium] 5-(1-oxido-1<i>H</i>-1,2,3,4-tetrazol-5-yl)-1<i>H</i>-1,2,3,4-tetrazol-1-olate","Acta Crystallographica Section E","2012","68","5","o1376","","10.1107/S1600536812014456","","","0.71073","MoKα","","0.0406","0.0386","","","0.1046","0.107","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234534","9.8866","0.0004","5.6332","0.0002","18.6577","0.0008","90","","96.199","0.003","90","","1033.03","0.07","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dipotassium trisodium triphosphate","","- K2 Na3 O10 P3 -","- K2 Na3 O10 P3 -","- K8 Na12 O40 P12 -","4","0.5","BT5872","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Dipotassium trisodium triphosphate, K~2~Na~3~P~3~O~10~","Acta Crystallographica Section E","2012","68","5","i31","","10.1107/S1600536812014894","","","0.71073","MoKα","","0.0505","0.032","","","0.0738","0.0795","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234535","25.819","0.002","6.006","0.0004","20.1176","0.0015","90","","136.222","0.004","90","","2158.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(2-aminopyrimidine-κ<i>N</i>^1^)(thiocyanato- κ<i>S</i>)mercury(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]","","- C6 H5 Hg N5 S2 -","- C6 H5 Hg N5 S2 -","- C48 H40 Hg8 N40 S16 -","8","1","BT5873","Hoseinzadeh, Fatemeh; Shirvan, Sadif A.; Haydari Dezfuli, Sara","<i>catena</i>-Poly[[(2-aminopyrimidine-κ<i>N</i>^1^)(thiocyanato-κ<i>S</i>)mercury(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2012","68","5","m646","","10.1107/S1600536812016790","","","0.71073","MoKα","","0.0732","0.0487","","","0.0824","0.088","","","","","","1.099","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234536","10.5657","0.0004","10.9275","0.0005","11.8961","0.0005","71.25","0.002","77.889","0.003","76.656","0.002","1251.7","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Methyl (2<i>E</i>)-2-({2-[(2<i>E</i>)-2-benzylidene-3-methoxy-3-oxopropyl]-1,3-\ dioxoindan-2-yl}methyl)-3-phenylprop-2-enoate","","- C31 H26 O6 -","- C31 H26 O6 -","- C62 H52 O12 -","2","1","BT5874","Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2<i>E</i>)-2-({2-[(2<i>E</i>)-2-benzylidene-3-methoxy-3-oxopropyl]-1,3-dioxoindan-2-yl}methyl)-3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","5","o1563","o1564","10.1107/S1600536812017965","","","0.71073","MoKα","","0.0649","0.0444","","","0.1146","0.1281","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234537","11.2553","0.0006","23.9104","0.0015","9.4741","0.0005","90","","91.229","0.003","90","","2549.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diethyl [(2-bromoanilino)(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate","","- C26 H27 Br N3 O3 P -","- C26 H27 Br N3 O3 P -","- C104 H108 Br4 N12 O12 P4 -","4","1","BT5876","Suresh, G.; Sabari, V.; Nandakumar, A.; Perumal, P. T.; Aravindhan, S.","Diethyl [(2-bromoanilino)(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate","Acta Crystallographica Section E","2012","68","5","o1554","","10.1107/S1600536812017849","","","0.71073","MoKα","","0.0784","0.0466","","","0.1112","0.1288","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234538","9.8452","0.0002","13.0116","0.0003","13.1736","0.0005","116.495","0.001","105.757","0.001","96.122","0.001","1401.81","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Bis(2-acetylpyridine-(4-phenylthiosemicarbazonate)cadmiun(II)","Bis{4-phenyl-1-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato- κ^2^<i>N</i>^1^,<i>S</i>}cadmium","","- C28 H26 Cd N8 S2 -","- C28 H26 Cd N8 S2 -","- C56 H52 Cd2 N16 S4 -","2","1","BT5877","de Fonseca, Alexandra; Gervini, Vanessa Carratu; Bresolin, Leandro; Locatelli, Aline; de Oliveira, Adriano Bof","Bis{4-phenyl-1-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}cadmium","Acta Crystallographica Section E","2012","68","5","m635","m636","10.1107/S1600536812016558","","","0.71073","MoKα","","0.062","0.0376","","","0.0718","0.0801","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234539","5.1053","0.0005","13.078","0.001","20.163","0.002","90","","90","","90","","1346.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3-Nitrobenzoyl)benzenesulfonamide","","- C13 H10 N2 O5 S -","- C13 H10 N2 O5 S -","- C52 H40 N8 O20 S4 -","4","1","BT5879","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","5","o1507","","10.1107/S1600536812016765","","","0.71073","MoKα","","0.0931","0.0645","","","0.1211","0.1373","","","","","","1.38","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234540","4.0165","0.0001","10.8098","0.0004","21.4036","0.0007","90","","99.535","0.002","90","","916.45","0.05","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-aminopyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C20 H18 N4 O8 -","- C20 H18 N4 O8 -","- C40 H36 N8 O16 -","2","0.5","BT5880","Rodrigues, V. H.; Hakimi, Mohammad; Motieiyan, Elham","Bis(2-aminopyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1524","","10.1107/S1600536812017254","","","0.71073","MoKα","","0.0556","0.0373","","","0.0918","0.102","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234541","7.1681","0.0009","10.8147","0.0013","12.3448","0.0018","90","","103.155","0.001","90","","931.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[4-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]-1,2,5-oxadiazol-3- amine","","- C6 H4 N8 O3 -","- C6 H4 N8 O3 -","- C24 H16 N32 O12 -","4","0.5","BT5881","Jia, Si-Yuan; Wang, Bo-Zhou; Fan, Xue-Zhong; Li, Ping; Ng, Seik Weng","4-[4-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine","Acta Crystallographica Section E","2012","68","5","o1573","","10.1107/S1600536812017825","","","0.71073","MoKα","","0.0341","0.031","","","0.093","0.0961","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234542","11.0871","0.0008","9.8779","0.0007","12.879","0.0009","90","","115.135","0.001","90","","1276.91","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)bis(thiocyanato- κ<i>N</i>)platinum(II)","","- C10 H6 N6 Pt S2 -","- C10 H6 N6 Pt S2 -","- C40 H24 N24 Pt4 S8 -","4","1","BT5882","Ha, Kwang","(2,2'-Bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)bis(thiocyanato-κ<i>N</i>)platinum(II)","Acta Crystallographica Section E","2012","68","5","m676","","10.1107/S1600536812017552","","","0.71073","MoKα","","0.0508","0.0429","","","0.0953","0.1045","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234543","13.3976","0.0008","6.2101","0.0006","13.6079","0.0009","90","","90","","90","","1132.18","0.15","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(4-methoxypyridin-3-yl)diazene","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C48 H48 N16 O8 -","4","0.5","BT5885","Thies, Steffen; Näther, Christian; Herges, Rainer","Bis(4-methoxypyridin-3-yl)diazene","Acta Crystallographica Section E","2012","68","5","o1568","","10.1107/S1600536812018326","","","0.71073","MoKα","","0.051","0.0385","","","0.098","0.1049","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234544","5.9447","0.0003","18.7233","0.001","8.7548","0.0005","90","","94.02","0.004","90","","972.05","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(3-acetylpyridine-κ<i>N</i>)cadmium]-di-μ- selenocyanato-κ^2^<i>N</i>:<i>Se</i>;κ^2^<i>Se</i>:<i>N</i>]","","- C16 H14 Cd N4 O2 Se2 -","- C16 H14 Cd N4 O2 Se2 -","- C32 H28 Cd2 N8 O4 Se4 -","2","0.5","BT5897","Werner, Julia; Boeckmann, Jan; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[bis(3-acetylpyridine-κ<i>N</i>)cadmium]-di-μ-selenocyanato-κ^2^<i>N</i>:<i>Se</i>;κ^2^<i>Se</i>:<i>N</i>]","Acta Crystallographica Section E","2012","68","5","m704","","10.1107/S1600536812018375","","","0.71073","MoKα","","0.0351","0.0306","","","0.0593","0.0609","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234545","19.1098","0.0006","9.0064","0.0004","14.9734","0.0005","90","","128.203","0.002","90","","2025.13","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(3-acetylpyridine-κ<i>N</i>)diaquabis(selenocyanato-κ<i>N</i>)cobalt(II)","","- C16 H18 Co N4 O4 Se2 -","- C16 H18 Co N4 O4 Se2 -","- C64 H72 Co4 N16 O16 Se8 -","4","0.5","BT5898","Werner, Julia; Boeckmann, Jan; Jess, Inke; Näther, Christian","Bis(3-acetylpyridine-κ<i>N</i>)diaquabis(selenocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","5","m703","","10.1107/S1600536812018387","","","0.71073","MoKα","","0.0318","0.0287","","","0.0642","0.0656","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234546","8.1796","0.0012","8.4125","0.0012","8.9643","0.0011","81.364","0.016","66.027","0.015","84.879","0.017","556.97","0.15","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridazine-κ<i>N</i>)nickel(II)","","- C20 H16 N14 Ni -","- C20 H16 N14 Ni -","- C20 H16 N14 Ni -","1","0.5","BT5900","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridazine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","5","m696","","10.1107/S1600536812018363","","","0.71073","MoKα","","0.0818","0.048","","","0.086","0.0967","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234547","13.1155","0.0007","16.9619","0.0011","10.7399","0.0005","90","","105.509","0.003","90","","2302.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-2-[(2-Hydroxy-4-methoxyphenyl)(phenyl)methylidene]-<i>N</i>- phenylhydrazinecarboxamide dimethylformamide monosolvate","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C96 H104 N16 O16 -","4","1","BV2201","Annie, C. F.; Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(2<i>E</i>)-2-[(2-Hydroxy-4-methoxyphenyl)(phenyl)methylidene]-<i>N</i>-phenylhydrazinecarboxamide dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","5","o1519","o1520","10.1107/S1600536812017382","","","0.71073","MoKα","","0.0731","0.0516","","","0.1389","0.1575","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234548","6.8462","0.0001","24.7903","0.0005","8.3719","0.0001","90","","125.249","0.001","90","","1160.36","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(2,6-Difluorobenzylidene)pyridine-4-carbohydrazide","","- C13 H9 F2 N3 O -","- C13 H9 F2 N3 O -","- C52 H36 F8 N12 O4 -","4","1","BV2204","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","<i>N</i>'-(2,6-Difluorobenzylidene)pyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1484","","10.1107/S1600536812016716","","","0.71073","MoKα","","0.0551","0.0445","","","0.1094","0.1168","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234549","8.7127","0.0004","9.5712","0.0004","11.3379","0.0005","87.225","0.002","72.014","0.002","67.673","0.002","829.3","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,6,7-Tetrabromo-9-butyl-9<i>H</i>-carbazole","","- C16 H13 Br4 N -","- C16 H13 Br4 N -","- C32 H26 Br8 N2 -","2","1","BX2400","Novina, J. Josephine; Vasuki, G.; Kumar, Sushil; Thomas, K. R. Justin","2,3,6,7-Tetrabromo-9-butyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","5","o1339","","10.1107/S1600536812013761","","","0.71073","MoKα","","0.0643","0.0378","","","0.0842","0.0924","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234550","9.2151","0.0018","6.6673","0.0013","17.267","0.004","90","","101.46","0.03","90","","1039.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Diammonio-1,2,3-trideoxy-<i>cis</i>-inositol sulfate","","- C6 H16 N2 O7 S -","- C6 H16 N2 O7 S -","- C24 H64 N8 O28 S4 -","4","1","BX2402","Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar","1,3-Diammonio-1,2,3-trideoxy-<i>cis</i>-inositol sulfate","Acta Crystallographica Section E","2012","68","5","o1425","o1426","10.1107/S1600536812016029","","","0.71073","MoKα","","0.0273","0.0255","","","0.0642","0.0656","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234551","14.569","0.002","7.8623","0.0012","17.042","0.003","90","","90","","90","","1952.1","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5,11,14-tetraazatetracyclo[11.4.0.0^2,6^.0^7,12^]heptadeca- 1(13),2(6),3,7,9,11,14,16-octaene","5<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthroline","","- C13 H8 N4 -","- C13 H8 N4 -","- C104 H64 N32 -","8","1","BX2404","Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo","5<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthroline","Acta Crystallographica Section E","2012","68","5","o1448","","10.1107/S1600536812016595","","","0.71073","MoKα","","0.0903","0.0415","","","0.0986","0.1225","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234552","12.1004","0.0003","8.1992","0.0002","18.0607","0.0004","90","","90.577","0.003","90","","1791.78","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-3a-aza-4a-azonia-4-borata- <i>s</i>-indacene","2,2-difluoro-8-(4-iodophenyl)-4,6,10,12-tetramethyl-1λ^5^,3-diaza-2λ^4^- boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C76 H72 B4 F8 I4 N8 -","4","1","CV5238","Sun, Yongling","4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-3a-aza-4a-azonia-4-borata-<i>s</i>-indacene","Acta Crystallographica Section E","2012","68","5","o1302","","10.1107/S1600536812004072","","","1.54184","CuKα","","0.0717","0.0615","","","0.1528","0.1658","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234553","5.3848","0.0011","8.4482","0.0017","24.238","0.005","90","","92.59","0.03","90","","1101.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(4-nitrophenoxy)acetate","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","CV5259","Sun, Su-Wen","Ethyl 2-(4-nitrophenoxy)acetate","Acta Crystallographica Section E","2012","68","5","o1534","","10.1107/S1600536812017242","","","0.71073","MoKα","","0.1284","0.068","","","0.1315","0.1561","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234554","9.687","0.003","26.608","0.009","8.876","0.005","90","","108.408","0.017","90","","2170.7","1.6","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[4,5-bis(butylsulfanyl)-1,3-dithiol-2-ylidene]- 1,3-dithiolo[4,5-<i>c</i>]pyrrole-4-carboxylate","","- C19 H25 N O2 S6 -","- C19 H25 N O2 S6 -","- C76 H100 N4 O8 S24 -","4","1","CV5262","Li, Dong-Feng; Zhu, Xiao-Fei; Guan, Shuang; Hou, Rui-Bin","Ethyl 2-[4,5-bis(butylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiolo[4,5-<i>c</i>]pyrrole-4-carboxylate","Acta Crystallographica Section E","2012","68","5","o1400","","10.1107/S1600536812015309","","","0.71073","MoKα","","0.0525","0.0421","","","0.1131","0.1198","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234555","12.525","0.0018","7.8885","0.0012","19.143","0.003","90","","106.812","0.003","90","","1810.6","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Benzoyl-13-bromo-4-hydroxy[2.2]paracyclophane","","- C23 H19 Br O2 -","- C23 H19 Br O2 -","- C92 H76 Br4 O8 -","4","1","CV5263","Ma, Kelin; Duan, Wenzeng; He, Fuyan; Ma, Yudao","5-Benzoyl-13-bromo-4-hydroxy[2.2]paracyclophane","Acta Crystallographica Section E","2012","68","5","o1380","","10.1107/S1600536812013803","","","0.71073","MoKα","","0.0752","0.0486","","","0.1267","0.1465","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234556","16.5762","0.0004","9.1158","0.0002","15.0288","0.0004","90","","90","","90","","2270.93","0.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tris(nitrato- κ^2^<i>O</i>,<i>O</i>')erbium(III)","","- C20 H16 Er N7 O9 -","- C20 H16 Er N7 O9 -","- C80 H64 Er4 N28 O36 -","4","0.5","CV5264","Yang, Hua","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)","Acta Crystallographica Section E","2012","68","5","m577","","10.1107/S1600536812014031","","","0.71073","MoKα","","0.031","0.0184","","","0.0417","0.0505","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234557","32.692","0.006","6.3772","0.0011","18.215","0.003","90","","92.985","0.002","90","","3792.4","1.1","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(4,5,6,7-Tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)-2-{4-[3- (trifluoromethyl)phenyl]piperazin-1-yl}ethanone","","- C20 H22 F3 N3 O S -","- C20 H22 F3 N3 O S -","- C160 H176 F24 N24 O8 S8 -","8","1","CV5266","Zhi, Shuang; Zheng, Guo; Liu, Ying; Liu, Deng-Ke","1-(4,5,6,7-Tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone","Acta Crystallographica Section E","2012","68","5","o1293","","10.1107/S1600536812013591","","","0.71073","MoKα","","0.0421","0.0324","","","0.089","0.0967","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234558","9.9418","0.0005","12.8955","0.0006","16.7076","0.0008","68.239","0.001","77.563","0.001","67.561","0.001","1831.91","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(1-phenyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato- κ<i>N</i>)nickel(II)","","- C38 H32 N10 Ni S2 -","- C38 H32 N10 Ni S2 -","- C76 H64 N20 Ni2 S4 -","2","1","CV5267","Zheng, Shao-Mei; Liu, Bao-Cheng","Tetrakis(1-phenyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","5","m623","","10.1107/S1600536812015437","","","0.71073","MoKα","","0.095","0.0622","","","0.1739","0.2357","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234559","9.6796","0.0002","10.9426","0.0003","13.1833","0.0004","111.122","0.001","90.961","0.001","107.19","0.001","1232.41","0.06","296","2","296","2","101.325","","","","","","","4","P -1","-P 1","2","1,4-Bis(tosyloxy)anthraquinone","9,10-Dioxoanthracene-1,4-diyl bis(4-methylbenzenesulfonate)","","- C28 H20 O8 S2 -","- C28 H20 O8 S2 -","- C56 H40 O16 S4 -","2","1","CV5268","Teerawatananond, Thapong; Kerdsamut, Chiaranan; Kokpol, Sirirat; Muangsin, Nongnuj","9,10-Dioxoanthracene-1,4-diyl bis(4-methylbenzenesulfonate)","Acta Crystallographica Section E","2012","68","5","o1423","o1424","10.1107/S1600536812015814","","","0.71073","MoKα","","0.0676","0.0436","","","0.1112","0.1267","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234560","10.1155","0.0004","15.2482","0.0005","19.4882","0.0006","90","","99.853","0.003","90","","2961.58","0.18","129.9","","129.9","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>tert</i>-Butyl 6-amino-5-cyano-2-(2-methoxyethyl)nicotinate","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C112 H152 N24 O24 -","8","1","CV5269","Chen, Yi-Ning; Zhao, Xing-Dong; Deng, Jie; Li, Qin-Geng","<i>tert</i>-Butyl 6-amino-5-cyano-2-(2-methoxyethyl)nicotinate","Acta Crystallographica Section E","2012","68","5","o1375","","10.1107/S1600536812014328","","","0.7107","MoKα","","0.0531","0.0401","","","0.0919","0.1004","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234561","9.903","0.0004","9.931","0.0004","10.415","0.0004","85.727","0.002","68.475","0.002","62.295","0.002","837.85","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Carbonylchloridobis[diphenyl(4-vinylphenyl)phosphane- κ<i>P</i>]rhodium(I)","","- C41 H34 Cl O P2 Rh -","- C41 H34 Cl O P2 Rh -","- C41 H34 Cl O P2 Rh -","1","0.5","CV5270","Ogutu, Hezron; Kirsten, Leo; Meijboom, Reinout","<i>trans</i>-Carbonylchloridobis[diphenyl(4-vinylphenyl)phosphane-κ<i>P</i>]rhodium(I)","Acta Crystallographica Section E","2012","68","5","m545","","10.1107/S1600536812013669","","","1.54178","CuKα","","0.0237","0.0235","","","","0.0573","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234562","23.398","0.005","5.8343","0.0012","7.3934","0.0015","90","","90","","90","","1009.3","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(pyridin-4-ylmethoxy)phenol","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","CV5271","Wang, Guang-Tu; Zhang, Yong; Yang, Jin-Xin; Zou, Ping; Hou, Guang-Feng","A second orthorhombic polymorph of 2-(pyridin-4-ylmethoxy)phenol","Acta Crystallographica Section E","2012","68","5","o1366","","10.1107/S1600536812014067","","","0.71073","MoKα","","0.0906","0.0427","","","0.0662","0.0769","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234563","8.8779","0.0003","20.3438","0.0006","13.574","0.0005","90","","102.213","0.003","90","","2396.12","0.14","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4-methoxyoxalyl-3,5-diphenylpyrrolidine-2,2-dicarboxylate","","- C25 H27 N O7 -","- C25 H27 N O7 -","- C100 H108 N4 O28 -","4","1","CV5272","He, Yan-Qin; Chen, Jin-Quan","Diethyl 4-methoxyoxalyl-3,5-diphenylpyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1325","","10.1107/S160053681201392X","","","0.71073","MoKα","","0.092","0.0514","","","0.1136","0.1334","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234564","11.2518","0.0014","18.38","0.002","25.86","0.003","90","","90","","90","","5348.1","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde","","- C35 H24 N4 O2 -","- C35 H24 N4 O2 -","- C280 H192 N32 O16 -","8","1","CV5273","Shen, Wei-Biao; Zhang, Zhi-Wen; Wang, Li-Wen; Wu, Jie-Ying","4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde","Acta Crystallographica Section E","2012","68","5","o1358","","10.1107/S1600536812014833","","","0.71073","MoKα","","0.0671","0.0422","","","0.1053","0.1232","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234565","16.703","0.003","17.878","0.004","8.929","0.002","90","","114.915","0.005","90","","2418.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{2-amino-2-oxo-<i>N</i>-[(1<i>E</i>)-1-(pyridin-2- yl-κ<i>N</i>)ethylidene]acetohydrazidato-κ^2^<i>N</i>',<i>O</i>^1^}nickel(II)","","- C18 H18 N8 Ni O4 -","- C18 H18 N8 Ni O4 -","- C72 H72 N32 Ni4 O16 -","4","0.5","CV5274","Kane, Cheikh Hamidou; Thiam, Ibrahima Elhadj; Tamboura, Farba Bouyagui; Gaye, Mohamed; Retailleau, Pascal","Bis{2-amino-2-oxo-<i>N</i>-[(1<i>E</i>)-1-(pyridin-2-yl-κ<i>N</i>)ethylidene]acetohydrazidato-κ^2^<i>N</i>',<i>O</i>^1^}nickel(II)","Acta Crystallographica Section E","2012","68","5","m553","","10.1107/S1600536812014109","","","0.7107","MoKα","","0.084","0.051","","","0.1216","0.1371","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234566","11.327","0.002","10.207","0.002","14.452","0.003","90","","90","","90","","1670.9","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[(dichloridozinc)-μ-1-{4-[(1<i>H</i>-imidazol-1- yl)methyl]benzyl}-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C56 H56 Cl8 N16 Zn4 -","4","0.5","CV5275","Wang, Cheng; Wen, Bo; Sun, Zhi-Yao; Yan, Peng-Fei; Gao, Jin-Sheng","<i>catena</i>-Poly[(dichloridozinc)-μ-1-{4-[(1<i>H</i>-imidazol-1-yl)methyl]benzyl}-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2012","68","5","m621","","10.1107/S1600536812015395","","","0.71073","MoKα","","0.0263","0.0231","","","0.0616","0.0629","","","","","","1.081","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234567","6.6873","0.0013","12.433","0.003","6.9298","0.0014","90","","116.96","0.03","90","","513.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4-Aza-1-azoniabicyclo[2.2.2]octane-κ<i>N</i>^4^)trichloridocobalt(II)","","- C6 H13 Cl3 Co N2 -","- C6 H13 Cl3 Co N2 -","- C12 H26 Cl6 Co2 N4 -","2","1","CV5276","Zhou, Qinqin; Zhu, Bo-Han","(4-Aza-1-azoniabicyclo[2.2.2]octane-κ<i>N</i>^4^)trichloridocobalt(II)","Acta Crystallographica Section E","2012","68","5","m675","","10.1107/S1600536812017199","","","0.71073","MoKα","","0.025","0.0238","","","0.0531","0.0537","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234568","18.381","0.004","4.4429","0.0009","14.846","0.003","90","","90.85","0.003","90","","1212.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(5-Amino-2<i>H</i>-tetrazol-2-yl)acetic acid","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C24 H40 N40 O16 -","8","1","CV5277","Zhang, Guo-Chun; Qiao, Cheng-Fang; Zhou, Chun-Sheng; Xia, Zheng-Qiang","2-(5-Amino-2<i>H</i>-tetrazol-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","5","o1330","","10.1107/S1600536812014389","","","0.71073","MoKα","","0.0615","0.0444","","","0.1121","0.1239","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234569","19.8137","0.0019","6.1588","0.0004","18.0784","0.0014","90","","108.881","0.009","90","","2087.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl- 1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","CV5278","Dutkiewicz, Grzegorz; Shetty, Divya N.; Narayana, B.; Yathirajan, H. S.; Kubicki, Maciej","4-[(4-Benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1324","","10.1107/S1600536812014262","","","0.71073","MoKα","","0.0728","0.0515","","","0.1094","0.1193","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234570","7.5995","0.0015","23.165","0.005","11.453","0.002","90","","90","","90","","2016.2","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(2-methylpiperidinium) pentachloridoantimonate(III)","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","0.5","CV5279","Xu, Qian","Bis(2-methylpiperidinium) pentachloridoantimonate(III)","Acta Crystallographica Section E","2012","68","5","m671","","10.1107/S1600536812017163","","","0.71073","MoKα","","0.0459","0.0331","","","0.0615","0.0652","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234571","10.9914","0.0006","11.7868","0.0006","13.7725","0.0007","114.306","0.001","91.211","0.001","91.984","0.001","1623.92","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-[23-oxo-22,24-diphenyl-8,11,14-trioxa-25- azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18- hexaen-25-yl]but-2-enedioate","","- C39 H37 N O8 -","- C39 H37 N O8 -","- C78 H74 N2 O16 -","2","1","CV5280","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Soldatova, Svetlana A.; Khrustalev, Victor N.","Dimethyl 2-[23-oxo-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate","Acta Crystallographica Section E","2012","68","5","o1386","o1387","10.1107/S1600536812015206","","","0.71073","MoKα","","0.0532","0.0416","","","0.0999","0.1075","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234572","12.1741","0.0013","5.2613","0.0006","15.3113","0.0016","90","","94.428","0.002","90","","977.79","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Hydroxyphenyl)nicotinamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","CV5281","Ge, Chunhua; Zhang, Rui; Zhang, Xiangdong; Zhang, Chenglong; Zhang, Meiyin","<i>N</i>-(3-Hydroxyphenyl)nicotinamide","Acta Crystallographica Section E","2012","68","5","o1499","","10.1107/S1600536812015620","","","0.71073","MoKα","","0.0505","0.0396","","","0.0929","0.0977","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234573","13.2751","0.0003","8.5002","0.0002","13.9854","0.0003","90","","116.773","0.001","90","","1408.95","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(1<i>E</i>)-3-(2,6-Dichloro-3-fluorophenyl)-3-oxoprop-1-en-1-yl]benzonitrile","","- C16 H8 Cl2 F N O -","- C16 H8 Cl2 F N O -","- C64 H32 Cl8 F4 N4 O4 -","4","1","CV5282","Praveen, Aletti S.; Yathirajan, Hemmige S.; Narayana, Badiadka; Gerber, Thomas; Hosten, Eric; Betz, Richard","4-[(1<i>E</i>)-3-(2,6-Dichloro-3-fluorophenyl)-3-oxoprop-1-en-1-yl]benzonitrile","Acta Crystallographica Section E","2012","68","5","o1413","","10.1107/S1600536812015589","","","0.71073","MoKα","","0.0472","0.0374","","","0.0895","0.0975","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234574","8.3085","0.0017","13.604","0.003","12.185","0.002","90","","93.78","0.03","90","","1374.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocobaltate(II)","","- C8 H15 Cl4 Co N3 -","- C8 H15 Cl4 Co N3 -","- C32 H60 Cl16 Co4 N12 -","4","1","CV5283","Zhang, Yi; Zhu, Bo-Han","1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocobaltate(II)","Acta Crystallographica Section E","2012","68","5","m665","","10.1107/S1600536812017187","","","0.71073","MoKα","","0.0528","0.0459","","","0.1312","0.1349","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234575","6.4274","0.0005","11.4727","0.0009","11.587","0.0009","113.51","0.006","94.721","0.006","94.837","0.006","774.4","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(Adamantan-1-yl)-3-(4-fluorophenyl)thiourea","","- C17 H21 F N2 S -","- C17 H21 F N2 S -","- C34 H42 F2 N4 S2 -","2","1","CV5285","Demirtaş, Güneş; Dege, Necmi; Al-Shehri, Mona M.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Büyükgüngör, Orhan","1-(Adamantan-1-yl)-3-(4-fluorophenyl)thiourea","Acta Crystallographica Section E","2012","68","5","o1523","","10.1107/S1600536812017515","","","0.71073","MoKα","","0.0723","0.0477","","","0.1084","0.1177","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234576","5.8884","0.0017","19.44","0.005","12.469","0.004","90","","100.614","0.004","90","","1402.9","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methyl 4-methylbenzenesulfonate","","- C12 H15 O7 P S -","- C12 H15 O7 P S -","- C48 H60 O28 P4 S4 -","4","1","CV5286","Hou, Xu-Feng; Yan, Jin-Long","(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","5","o1473","","10.1107/S1600536812016674","","","0.71073","MoKα","","0.0407","0.0343","","","0.0919","0.095","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234577","14.396","0.003","10.941","0.002","18.093","0.004","90","","109.399","0.004","90","","2688","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorobutanoyl)-3-(2-chlorophenyl)thiourea","","- C11 H12 Cl2 N2 O S -","- C11 H12 Cl2 N2 O S -","- C88 H96 Cl16 N16 O8 S8 -","8","2","CV5287","Yusof, M. Sukeri M.; Embong, Nur Farhana; Yamin, Bohari M.; Ngah, Nurziana","1-(4-Chlorobutanoyl)-3-(2-chlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","5","o1536","","10.1107/S160053681201759X","","","0.71073","MoKα","","0.0502","0.0387","","","0.0992","0.109","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234578","17.527","0.004","9.6576","0.0019","14.237","0.003","90","","106.92","0.03","90","","2305.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2,3-Dimethoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","2","CV5288","Chen, Qing-Hao; Meng, Fan-Wei; Dong, Gui-Jun; Wang, Xiao-Dan; Gao, Jin-Sheng","4-(2,3-Dimethoxyphenyl)-1<i>H</i>-pyrrole-3-carbonitrile","Acta Crystallographica Section E","2012","68","5","o1567","","10.1107/S1600536812018302","","","0.71073","MoKα","","0.0601","0.045","","","0.1209","0.1287","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234579","10.21","0.002","20.364","0.005","12.171","0.003","90","","90.906","0.004","90","","2530.2","1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Bromo-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>- pyrazol-4-yl)iminomethyl]-6-methoxyphenyl 4-methylbenzenesulfonate","","- C26 H24 Br N3 O5 S -","- C26 H24 Br N3 O5 S -","- C104 H96 Br4 N12 O20 S4 -","4","1","DS2184","Duan, Zhong-Yu; Yang, Lin; Yang, Li-Ping; Liu, Xiu-Wu","(<i>E</i>)-2-Bromo-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)iminomethyl]-6-methoxyphenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","5","o1335","","10.1107/S160053681201447X","","","0.71073","MoKα","","0.0338","0.0287","","","0.0692","0.0714","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234580","10.487","0.0003","10.9123","0.0003","12.9248","0.0003","90","","99.694","0.002","90","","1457.96","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[chloridodimethanol(μ~3~-pyridine-2,3-dicarboxylato)europium(III)] methanol monosolvate]","","- C10 H15 Cl Eu N O7 -","- C10 H15 Cl Eu N O7 -","- C40 H60 Cl4 Eu4 N4 O28 -","4","1","DS2185","Wu, Dayu; Chen, Liyang; Wu, Genhua","Poly[[chloridodimethanol(μ~3~-pyridine-2,3-dicarboxylato)europium(III)] methanol monosolvate]","Acta Crystallographica Section E","2012","68","5","m682","","10.1107/S1600536812017862","","","0.71073","MoKα","","0.0328","0.0262","","","0.0553","0.0573","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234581","5.778","0.003","6.354","0.003","10.013","0.005","102.295","0.005","93.861","0.005","97.781","0.005","354.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Cyclohexa-2,5-diene-1,4-dione‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (1/1)","","- C12 H4 F4 I2 O2 -","- C12 H4 F4 I2 O2 -","- C12 H4 F4 I2 O2 -","1","0.5","DS2186","Liu, Peng; Ruan, Chuansheng; Li, Tiesheng; Ji, Baoming","Cyclohexa-2,5-diene-1,4-dione‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (1/1)","Acta Crystallographica Section E","2012","68","5","o1431","","10.1107/S1600536812015930","","","0.71073","MoKα","","0.0406","0.0325","","","0.0801","0.0869","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234582","14.2445","0.0012","14.2445","0.0012","51.591","0.004","90","","90","","120","","9065.7","1.3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) tetrafluoridoborate","","- C72 H60 Ag B F4 P4 -","- C72 H60 Ag B F3.96 P4 -","- C432 H360 Ag6 B6 F23.76 P24 -","6","0.333333","EZ2286","Huang, Xu; Qiu, Qi-Ming; Wang, Xin; Jin, Qiong-Hua; Zhang, Cun-Lin","Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","5","m706","","10.1107/S1600536812018247","","","0.71073","MoKα","","0.1006","0.0627","","","0.1443","0.1603","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234583","7.6197","0.0015","11.671","0.002","18.473","0.004","90","","91.51","0.03","90","","1642.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Butyltriethylammonium tetrachloridoferrate(III)","","- C10 H24 Cl4 Fe N -","- C10 H24 Cl4 Fe N -","- C40 H96 Cl16 Fe4 N4 -","4","1","EZ2288","Jin, Lei; Li, Yong-Jun","Butyltriethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","5","m656","","10.1107/S1600536812017047","","","0.71073","MoKα","","0.0695","0.0475","","","0.1083","0.1174","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234584","9.552","0.0009","10.2011","0.001","17.9656","0.0017","91.03","0.002","98.957","0.002","90.377","0.002","1728.9","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(2,4-Dimethylphenyl)-2,2-diphenylacetamide","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","2","EZ2289","Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(2,4-Dimethylphenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2012","68","5","o1316","o1317","10.1107/S1600536812014079","","","0.71073","MoKα","","0.0957","0.0847","","","0.252","0.2611","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234585","9.0177","0.0006","14.0654","0.0009","12.9008","0.0008","90","","111.768","0.002","90","","1519.63","0.17","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>,4<i>E</i>)-2-Cyano-5-dipropylamino-<i>N</i>,<i>N</i>- dimethylpenta-2,4-dienamide","","- C14 H23 N3 O -","- C14 H23 N3 O -","- C56 H92 N12 O4 -","4","1","FB2241","Zhou, Xian-Feng; Du, Xiao-Hua","(2<i>E</i>,4<i>E</i>)-2-Cyano-5-dipropylamino-<i>N</i>,<i>N</i>-dimethylpenta-2,4-dienamide","Acta Crystallographica Section E","2012","68","5","o1311","","10.1107/S1600536812013797","","","0.71073","MoKα","","0.1049","0.044","","","0.0973","0.1151","","","","","","1.49","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234586","10.684","0.007","16.973","0.012","11.174","0.008","90","","101.49","0.009","90","","1986","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-(4-Methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1<i>H</i>- dibenzo[<i>b</i>,<i>e</i>][1,4]diazepin-1-one monohydrate","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","FF2060","Fadare, Olatomide A.; Adelani, Pius O.; Ikotun, Adebomi A.; Obafemi, Craig A.","11-(4-Methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1<i>H</i>-dibenzo[<i>b</i>,<i>e</i>][1,4]diazepin-1-one monohydrate","Acta Crystallographica Section E","2012","68","5","o1508","o1509","10.1107/S1600536812016194","","","0.71073","MoKα","","0.1067","0.043","","","0.089","0.1058","","","","","","0.829","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234587","7.591","0.0015","18.436","0.004","12.162","0.002","90","","94.43","0.03","90","","1697","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3-(cyclopropylcarbonyl)pyrrolo[2,1-<i>a</i>]isoquinoline-1,2-dicarboxylate","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","FF2061","Xing, Honglong; Tang, Fan; Wang, Wei","Dimethyl 3-(cyclopropylcarbonyl)pyrrolo[2,1-<i>a</i>]isoquinoline-1,2-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1430","","10.1107/S1600536812015656","","","0.71073","MoKα","","0.0888","0.0558","","","0.1552","0.1791","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234588","10.3665","0.0016","11.1585","0.0019","9.5248","0.0012","90","","90.257","0.001","90","","1101.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[4-(Dimethylamino)benzylidene]-4<i>H</i>-1,2,4-triazol-4-amine","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","1","FF2062","Zhou, Hui-Liang; Zhang, Xiao-Min","<i>N</i>-[4-(Dimethylamino)benzylidene]-4<i>H</i>-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2012","68","5","o1343","","10.1107/S1600536812014511","","","0.71073","MoKα","","0.0791","0.0474","","","0.1078","0.1186","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234589","6.5617","0.0007","13.9716","0.0013","12.3351","0.0008","90","","96.466","0.007","90","","1123.66","0.18","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1'-(butane-1,4-diyl)bis[2-(pyridin-2-yl)-1<i>H</i>-benzimidazole]","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","0.5","FF2063","Zhou, Shao-Chuan; Xie, Hong-Zhen","1,1'-(Butane-1,4-diyl)bis[2-(pyridin-2-yl)-1<i>H</i>-benzimidazole]","Acta Crystallographica Section E","2012","68","5","o1434","","10.1107/S1600536812015899","","","0.71073","MoKα","","0.1521","0.0638","","","0.1142","0.1461","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234590","15.2667","0.0011","6.717","0.0004","30.8598","0.0016","90","","90","","90","","3164.6","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Poly[[μ-ethane-1,2-diyl bis(pyridine-3-carboxylate)](μ-tetrafluoridoborato)silver(I)]","","- C14 H12 Ag B F4 N2 O4 -","- C14 H12 Ag B F4 N2 O4 -","- C112 H96 Ag8 B8 F32 N16 O32 -","8","1","FF2064","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Bolte, Michael","Poly[[μ-ethane-1,2-diyl bis(pyridine-3-carboxylate)](μ-tetrafluoridoborato)silver(I)]","Acta Crystallographica Section E","2012","68","5","m705","","10.1107/S1600536812018399","","","0.71073","MoKα","","0.1155","0.0578","","","0.121","0.1439","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234591","5.0739","0.001","8.993","0.0018","7.029","0.002","90","","123.6","0.02","90","","267.14","0.12","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trisodium scandium bis(orthoborate)","","- B2 Na3 O6 Sc -","- B2 Na3 O6 Sc -","- B4 Na6 O12 Sc2 -","2","0.5","FI2123","Fang, Jinzhi; Zhang, Xinyuan; Yao, Jiyong; Zhang, Guochun; Wang, Kunpeng","Trisodium scandium bis(orthoborate)","Acta Crystallographica Section E","2012","68","5","i36","","10.1107/S1600536812015061","","","0.71073","MoKα","","0.0319","0.0269","","","0.0653","0.0669","","","","","","1.215","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234592","9.975","0.003","11.056","0.004","12.382","0.004","99.01","0.004","103.527","0.003","112.734","0.003","1177.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","3-[(8-Butoxyquinolin-2-yl)methyl]-1-(pyridin-2-ylmethyl)- 1<i>H</i>-imidazol-3-ium hexafluoridophosphate","","- C23 H25 F6 N4 O P -","- C23 H25 F6 N4 O P -","- C46 H50 F12 N8 O2 P2 -","2","1","FJ2531","Zhang, Ping; Jing, Jing; Qin, Da-Bin","3-[(8-Butoxyquinolin-2-yl)methyl]-1-(pyridin-2-ylmethyl)-1<i>H</i>-imidazol-3-ium hexafluoridophosphate","Acta Crystallographica Section E","2012","68","5","o1278","","10.1107/S1600536812013414","","","0.71073","MoKα","","0.0634","0.0376","","","0.0831","0.0874","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234593","24.301","0.005","8.2794","0.0017","14.069","0.003","90","","101.69","0.03","90","","2771.9","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquatrichlorido(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane- κ<i>N</i>^4^)copper(II) monohydrate","","- C8 H18 Cl3 Cu N3 O2 -","- C8 H18 Cl3 Cu N3 O2 -","- C64 H144 Cl24 Cu8 N24 O16 -","8","1","FJ2535","Zhou, Qinqin; Zhang, Yi","Aquatrichlorido(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane-κ<i>N</i>^4^)copper(II) monohydrate","Acta Crystallographica Section E","2012","68","5","m674","","10.1107/S1600536812017205","","","0.71073","MoKα","","0.0392","0.0359","","","0.091","0.0928","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234594","13.562","0.005","16.729","0.006","17.258","0.006","90","","90","","90","","3915","2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- yl)(thiophen-2-yl)methylidene]benzohydrazide","","- C22 H18 N4 O2 S -","- C22 H18 N4 O2 S -","- C176 H144 N32 O16 S8 -","8","2","FJ2536","Zhu, Hualing; Zhu, Jinhua; Bu, Luxia; Shi, Jun; Wang, Juan","<i>N</i>'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)(thiophen-2-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1368","o1369","10.1107/S1600536812014821","","","0.71073","MoKα","","0.0647","0.0497","","","0.0939","0.103","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234595","4.6275","0.0007","6.5332","0.0011","31.856","0.005","90","","92.417","0.004","90","","962.2","0.3","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide monohydrate","","- C21 H19 N3 O6 -","- C21 H19 N3 O6 -","- C42 H38 N6 O12 -","2","1","FJ2537","Joseph, Bibitha; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","5","o1421","o1422","10.1107/S1600536812015401","","","0.71073","MoKα","","0.0317","0.0304","","","0.0857","0.0875","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234596","19.2249","0.0013","13.2036","0.0007","7.7468","0.0005","90","","101.079","0.007","90","","1929.8","0.2","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(5-amino-3-carboxy-1<i>H</i>-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1<i>H</i>-1,2,4-triazol-4-ium-3-carboxylate","","- C9 H16 N13 O13 P -","- C9 H16 N13 O13 P -","- C36 H64 N52 O52 P4 -","4","1","FJ2538","Berrah, Fadila; Bouchene, Rafika; Bouacida, Sofiane; Daran, Jean-Claude","Bis(5-amino-3-carboxy-1<i>H</i>-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1<i>H</i>-1,2,4-triazol-4-ium-3-carboxylate","Acta Crystallographica Section E","2012","68","5","o1333","o1334","10.1107/S1600536812014481","","","0.71073","MoKα","","0.0276","0.0268","","","0.0662","0.0672","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234597","10.2029","0.0003","15.4175","0.0003","8.04875","0.00019","90","","108.628","0.003","90","","1199.77","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-bromido-bis{[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(thiophen-2- ylmethylidene)ethane-1,2-diamine]copper(I)]}","","- C18 H28 Br2 Cu2 N4 S2 -","- C18 H28 Br2 Cu2 N4 S2 -","- C36 H56 Br4 Cu4 N8 S4 -","2","0.5","FJ2540","Goh, Christopher; Remillard, Zachary D.; Martinez, Andre P.; Keeley, Amanda C.; Jasinski, Jerry P.","Di-μ-bromido-bis{[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(thiophen-2-ylmethylidene)ethane-1,2-diamine]copper(I)]}","Acta Crystallographica Section E","2012","68","5","m691","m692","10.1107/S1600536812017989","","","0.71073","MoKα","","0.0555","0.0363","","","0.0702","0.0783","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234598","12.7631","0.0005","13.6077","0.0006","14.2614","0.0007","102.785","0.003","96.943","0.003","104.316","0.003","2299.68","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[penta-μ-benzoato-μ-chlorido-dioxanedineodymium(III)] dioxane 2.5-solvate]","","- C49 H53 Cl Nd2 O17 -","- C39 H33 Cl Nd2 O12 -","- C78 H66 Cl2 Nd4 O24 -","2","1","FJ2541","Bertke, Jeffrey A.; Oliver, Allen G.; Henderson, Kenneth W.","<i>catena</i>-Poly[[penta-μ-benzoato-μ-chlorido-dioxanedineodymium(III)] dioxane 2.5-solvate]","Acta Crystallographica Section E","2012","68","5","m690","","10.1107/S1600536812017746","","","0.71073","MoKα","","0.0971","0.0517","","","0.1072","0.119","","","","","","0.896","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234599","8.2727","0.0011","24.579","0.003","9.3703","0.0014","90","","90","","90","","1905.3","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1<i>H</i>-2- benzoxacyclotetradecine-1,7(8<i>H</i>)-dione monohydrate","","- C18 H26 O6 -","- C18 H26 O6 -","- C72 H104 O24 -","4","1","FJ2544","Drzymala, Sarah; Kraus, Werner; Emmerling, Franziska; Koch, Matthias","(3<i>S</i>)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1<i>H</i>-2-benzoxacyclotetradecine-1,7(8<i>H</i>)-dione (zearalanone) monohydrate","Acta Crystallographica Section E","2012","68","5","o1577","","10.1107/S1600536812018168","","","0.71073","MoKα","","0.0886","0.0513","","","0.123","0.1339","","","","","","0.901","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234600","3.8949","0.0002","12.051","0.0005","21.991","0.0009","90","","90","","90","","1032.2","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-3-[(<i>E</i>)-(hydrazin-1-ylidene)methyl]-6-methoxyquinoline","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C44 H40 Cl4 N12 O4 -","4","1","FJ2545","Bouacida, Sofiane; Bouraiou, Abdelmalek; Benhamoud, Nassima; Roisnel, Thierry; Belfaitah, Ali","2-Chloro-3-[(<i>E</i>)-(hydrazin-1-ylidene)methyl]-6-methoxyquinoline","Acta Crystallographica Section E","2012","68","5","o1548","","10.1107/S1600536812017977","","","0.71073","MoKα","","0.0411","0.032","","","0.0712","0.0732","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234601","30.0601","0.0009","9.9321","0.0003","18.2054","0.0006","90","","90","","90","","5435.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,1,2,2-Tetrakis(dimethylamino)ethane-1,2-diium bis(tetraphenylborate) acetone disolvate","","- C64 H76 B2 N4 O2 -","- C64 H76 B2 N4 O2 -","- C256 H304 B8 N16 O8 -","4","1","FK2058","Tiritiris, Ioannis; Kantlehner, Willi","1,1,2,2-Tetrakis(dimethylamino)ethane-1,2-diium bis(tetraphenylborate) acetone disolvate","Acta Crystallographica Section E","2012","68","5","o1371","","10.1107/S1600536812015085","","","0.71073","MoKα","","0.0646","0.0455","","","0.1","0.1088","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234602","5.8479","0.0002","13.3438","0.0006","15.0883","0.0008","90","","90","","90","","1177.39","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-Methyl-3,4,5,6-tetrahydropyrimidin-2-one","1-Methyl-1,3-diazinan-2-one","","- C5 H10 N2 O -","- C5 H10 N2 O -","- C40 H80 N16 O8 -","8","1","FK2059","Tiritiris, Ioannis; Kantlehner, Willi","1-Methyl-1,3-diazinan-2-one","Acta Crystallographica Section E","2012","68","5","o1478","","10.1107/S1600536812016522","","","0.71073","MoKα","","0.0486","0.0367","","","0.0858","0.0923","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234603","15.762","0.003","8.1144","0.0016","16.015","0.003","90","","90","","90","","2048.3","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Cyclopentylidenepyridine-4-carbohydrazide","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","FY2050","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","<i>N</i>'-Cyclopentylidenepyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1299","","10.1107/S1600536812013815","","","0.71073","MoKα","","","0.0324","","","","0.0813","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234604","13.072","0.002","6.179","0.0011","17.979","0.003","90","","90","","90","","1452.2","0.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-Dimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","1","FY2054","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2,5-Dimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","5","o1410","","10.1107/S1600536812015450","","","0.71073","MoKα","","0.0449","0.0356","","","0.0842","0.0897","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234605","15.0055","0.0002","8.0884","0.0001","17.8088","0.0003","90","","90","","90","","2161.46","0.05","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride","","- C10 H14 Cl N3 -","- C10 H14 Cl N3 -","- C80 H112 Cl8 N24 -","8","1","GK2441","Molčanov, Krešimir; Stolić, Ivana; Kojić-Prodić, Biserka; Kovačević, Goran; Bajić, Miroslav","2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride","Acta Crystallographica Section E","2012","68","5","o1360","","10.1107/S1600536812014493","","","1.54184","CuKα","","","0.0314","","","","0.0984","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234606","7.1894","0.0014","32.38","0.007","17.319","0.004","90","","100.4","0.03","90","","3965.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')copper(I)] perchlorate 0.24-hydrate]","","- C20 H16.48 Cl Cu N4 O4.24 -","- C20 H16 Cl Cu N4 O4.24 -","- C160 H128 Cl8 Cu8 N32 O33.92 -","8","2","GK2464","Zhang, Chun-Yan; Yao, Xue-Jun; Wang, Run-Ling; Xie, Cheng-Zhi","Poly[[bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')copper(I)] perchlorate 0.24-hydrate]","Acta Crystallographica Section E","2012","68","5","m660","m661","10.1107/S1600536812017266","","","0.71073","MoKα","","0.1044","0.07","","","0.1769","0.2009","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234607","11.9282","0.0013","8.3715","0.0009","13.1421","0.0014","90","","113.138","0.002","90","","1206.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridin-1-ium 3-carboxybenzoate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","GK2468","Campos-Gaxiola, Jose J.; Hernández-Ortega, Simón; Morales-Morales, David; Cruz Enríquez, Adriana","3-Aminopyridin-1-ium 3-carboxybenzoate","Acta Crystallographica Section E","2012","68","5","o1444","","10.1107/S1600536812016108","","","0.71073","MoKα","","0.0713","0.0553","","","0.1441","0.1538","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234608","9.2133","0.0017","11.611","0.002","12.473","0.002","87.714","0.007","83.297","0.006","89.576","0.007","1324.1","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Chlorophenyl)-2,6-bis(1<i>H</i>-indol-3-yl)-1,4-dihydropyridine- 3,5-dicarbonitrile ethanol monosolvate","","- C31 H24 Cl N5 O -","- C31 H24 Cl N5 O -","- C62 H48 Cl2 N10 O2 -","2","1","GK2473","Zhu, Song-Lei; Zheng, Jun-Nian","4-(4-Chlorophenyl)-2,6-bis(1<i>H</i>-indol-3-yl)-1,4-dihydropyridine-3,5-dicarbonitrile ethanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1300","o1301","10.1107/S1600536812013906","","","0.7107","MoKα","","0.0658","0.0537","","","0.1123","0.1188","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234609","7.6209","0.0015","10.393","0.002","13.093","0.003","90","","97.63","0.03","90","","1027.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Nitro-2-trifluoromethyl-1<i>H</i>-benzimidazole monohydrate","","- C8 H6 F3 N3 O3 -","- C8 H6 F3 N3 O3 -","- C32 H24 F12 N12 O12 -","4","1","GO2048","Liu, Ming-Liang","5-Nitro-2-trifluoromethyl-1<i>H</i>-benzimidazole monohydrate","Acta Crystallographica Section E","2012","68","5","o1487","","10.1107/S1600536812017060","","","0.71073","MoKα","","0.1073","0.0712","","","0.1964","0.2208","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234610","8.3761","0.0009","8.5438","0.0009","9.1083","0.001","88.832","0.002","75.376","0.001","65.17","0.001","569.67","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-(Ethylsulfinyl)imidazo[1,2-<i>a</i>]pyridine-3-sulfonamide","","- C9 H11 N3 O3 S2 -","- C9 H11 N3 O3 S2 -","- C18 H22 N6 O6 S4 -","2","1","GO2050","Gong, Yaling; Ma, Haixia; Li, Jing","2-(Ethylsulfinyl)imidazo[1,2-<i>a</i>]pyridine-3-sulfonamide","Acta Crystallographica Section E","2012","68","5","o1342","","10.1107/S1600536812013992","","","0.71073","MoKα","","0.0297","0.0259","","","0.0654","0.0677","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234611","6.9041","0.0006","11.8791","0.0007","14.0282","0.0011","90","","101.6","0.007","90","","1127.02","0.15","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-[(<i>E</i>)-(2-hydroxy-3-methylbenzylidene)amino]but-2-enedinitrile","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","GO2051","Aazam, Elham S.; Büyükgüngör, Orhan","2-Amino-3-[(<i>E</i>)-(2-hydroxy-3-methylbenzylidene)amino]but-2-enedinitrile","Acta Crystallographica Section E","2012","68","5","o1406","","10.1107/S1600536812015243","","","0.71073","MoKα","","0.0929","0.0586","","","0.1195","0.1324","","","","","","1.137","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234612","11.859","0.002","7.2154","0.0014","19.508","0.004","90","","90","","90","","1669.2","0.5","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2-Trifluoromethyl-1<i>H</i>-benzimidazole","","- C8 H5 F3 N2 -","- C8 H5 F3 N2 -","- C64 H40 F24 N16 -","8","1","GO2052","Liu, Ming-Liang","2-Trifluoromethyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","5","o1518","","10.1107/S1600536812017357","","","0.71073","MoKα","","0.1127","0.0707","","","0.1467","0.1676","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234613","9.264","0.002","8.756","0.002","13.549","0.003","90","","108.835","0.002","90","","1040.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-Diiodo-3-nitroanisole","1,3-diiodo-4-methoxy-2-nitrobenzene","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C28 H20 I8 N4 O12 -","4","1","HB6662","Li, Xianfei; Cao, Lei; Ruan, Chuansheng; Ji, Baoming; Zhou, Le","2,4-Diiodo-3-nitroanisole","Acta Crystallographica Section E","2012","68","5","o1500","","10.1107/S160053681200952X","","","0.71073","MoKα","","0.032","0.027","","","0.0622","0.0652","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234614","10.1768","0.0008","23.6035","0.0018","7.9994","0.0007","90","","109.134","0.003","90","","1815.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[3-(Anthracen-9-yl)-5-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1- yl]ethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","HB6687","Zhang, Shi-Lu; Huang, Kun; Qin, Da-Bin","1-[3-(Anthracen-9-yl)-5-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","5","o1370","","10.1107/S160053681201505X","","","0.7107","MoKα","","0.0466","0.0399","","","0.0972","0.102","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234615","8.4295","0.0018","9.924","0.002","15.351","0.004","90","","90","","90","","1284.2","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","HB6688","Chen, Xu; Wu, Xiao-Yong; Zhao, Guo-Liang","2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)","Acta Crystallographica Section E","2012","68","5","o1321","","10.1107/S1600536812013839","","","0.71073","MoKα","","","0.0445","","","0.1055","0.1215","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234616","14.9237","0.0005","10.5064","0.0003","24.6015","0.0007","90","","93.116","0.001","90","","3851.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6,8-Tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one <i>O</i>-benzyloxime acetone monosolvate","","- C41 H37 Cl4 N3 O2 -","- C41 H37 Cl4 N3 O2 -","- C164 H148 Cl16 N12 O8 -","4","1","HB6689","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4,6,8-Tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one <i>O</i>-benzyloxime acetone monosolvate","Acta Crystallographica Section E","2012","68","5","o1481","","10.1107/S1600536812016509","","","0.71073","MoKα","","0.109","0.062","","","0.1581","0.188","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234617","11.572","0.002","22.82","0.005","8.5426","0.0017","90","","117.03","0.03","90","","2009.5","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis(cyclohexylammonium) terephthalate","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C80 H128 N8 O16 -","4","1","HB6690","Han, Meng Ting","Bis(cyclohexylammonium) terephthalate","Acta Crystallographica Section E","2012","68","5","o1579","","10.1107/S1600536812017035","","","0.71073","MoKα","","0.1798","0.084","","","0.139","0.1708","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234618","14.465","0.01","15.83","0.01","6.99","0.005","90","","90","","90","","1600.6","1.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[diaquabis(2-ethyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)cadmium]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C10 H20 Cd N4 O6 S -","- C10 H20 Cd N4 O6 S -","- C40 H80 Cd4 N16 O24 S4 -","4","0.5","HB6691","Yu, Chua-Hua","<i>catena</i>-Poly[[diaquabis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2012","68","5","m655","","10.1107/S1600536812017059","","","0.71073","MoKα","","0.0394","0.035","","","0.0789","0.0815","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234619","14.9566","0.0018","11.1123","0.0016","19.351","0.002","90","","90","","90","","3216.2","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3-Fluorobenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol monosolvate","","- C16 H17 F N2 O4 -","- C16 H17 F N2 O4 -","- C128 H136 F8 N16 O32 -","8","1","HB6695","Zong, Qian-Shou","<i>N</i>'-(3-Fluorobenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1338","","10.1107/S1600536812012196","","","0.71073","MoKα","","0.0608","0.0431","","","0.1286","0.1613","","","","","","1.123","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234620","22.4861","0.0006","6.9006","0.0002","28.6933","0.0008","90","","101.286","0.002","90","","4366.2","0.2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-3-(2-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''- terphenyl-4'-yl)prop-2-en-1-one","","- C28 H19 Br F2 O2 -","- C28 H19 Br F2 O2 -","- C224 H152 Br8 F16 O16 -","8","1","HB6704","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(2-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1314","o1315","10.1107/S1600536812013852","","","0.71073","MoKα","","0.1141","0.071","","","0.1227","0.1344","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234621","7.6776","0.0004","12.7671","0.0007","9.813","0.0004","90","","124.432","0.003","90","","793.35","0.07","100","1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Chloro-4-fluorophenyl)acetamide","","- C8 H7 Cl F N O -","- C8 H7 Cl F N O -","- C32 H28 Cl4 F4 N4 O4 -","4","1","HB6705","Fun, Hoong-Kun; Loh, Wan-Sin; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(3-Chloro-4-fluorophenyl)acetamide","Acta Crystallographica Section E","2012","68","5","o1348","","10.1107/S160053681201416X","","","0.71073","MoKα","","0.0613","0.0471","","","0.1317","0.1434","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234622","9.6192","0.0019","11.127","0.002","26.574","0.005","90","","90","","90","","2844.3","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-<i>p</i>-tolylpiperidine-1-carboxamide","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C112 H160 N16 O8 -","8","1","HB6706","Li, Yu-Feng","4-Methyl-<i>N</i>-<i>p</i>-tolylpiperidine-1-carboxamide","Acta Crystallographica Section E","2012","68","5","o1472","","10.1107/S1600536812016248","","","0.71073","MoKα","","0.146","0.072","","","0.1765","0.2203","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234623","10.7181","0.0004","6.4826","0.0002","18.7076","0.0007","90","","96.773","0.003","90","","1290.75","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>H</i>-1,2,3-Benzotriazol-1-yl)methyl benzoate","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","HB6707","Guo, Ting; Cao, Gang; Xu, Sen","(1<i>H</i>-1,2,3-Benzotriazol-1-yl)methyl benzoate","Acta Crystallographica Section E","2012","68","5","o1409","","10.1107/S1600536812015140","","","0.71073","MoKα","","0.1119","0.0597","","","0.1314","0.162","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234624","7.7967","0.0017","8.4205","0.0019","19.138","0.004","90","","99.78","0.004","90","","1238.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-4-[(<i>E</i>)-(4-fluorobenzylidene)amino]-1<i>H</i>-1,2,4-triazole- 5(4<i>H</i>)-thione","","- C11 H11 F N4 S -","- C11 H11 F N4 S -","- C44 H44 F4 N16 S4 -","4","1","HB6709","Jeyaseelan, S.; Devarajegowda, H. C.; Sathishkumar, R.; D'souza, Agnes Sylvia; D'souza, Alphonsus","3-Ethyl-4-[(<i>E</i>)-(4-fluorobenzylidene)amino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","5","o1407","","10.1107/S1600536812015346","","","0.71073","MoKα","","0.0697","0.0453","","","0.1046","0.1148","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234625","9.742","0.0019","15.304","0.003","18.302","0.005","90","","116.01","0.02","90","","2452.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Methanol-κ<i>O</i>){1-[2-(piperazin-4-ium-1-yl- κ<i>N</i>^1^)ethyliminomethyl-κ<i>N</i>]naphthalen-2-olato- κ<i>O</i>}bis(thiocyanato-κ<i>N</i>)nickel(II) methanol monosolvate","","- C21 H29 N5 Ni O3 S2 -","- C21 H29 N5 Ni O3 S2 -","- C84 H116 N20 Ni4 O12 S8 -","4","1","HB6710","Li, Pin-Ai","(Methanol-κ<i>O</i>){1-[2-(piperazin-4-ium-1-yl-κ<i>N</i>^1^)ethyliminomethyl-κ<i>N</i>]naphthalen-2-olato-κ<i>O</i>}bis(thiocyanato-κ<i>N</i>)nickel(II) methanol monosolvate","Acta Crystallographica Section E","2012","68","5","m549","","10.1107/S1600536812013773","","","0.71073","MoKα","","0.1661","0.092","","","0.1799","0.2091","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234626","8.495","0.0004","13.756","0.0005","7.6677","0.0003","90","","113.214","0.001","90","","823.48","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydro-1λ^6^,2-benzothiazine-1,1,4-trione","","- C8 H7 N O3 S -","- C8 H7 N O3 S -","- C32 H28 N4 O12 S4 -","4","1","HB6713","Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz","2,3-Dihydro-1λ^6^,2-benzothiazine-1,1,4-trione","Acta Crystallographica Section E","2012","68","5","o1306","","10.1107/S1600536812013827","","","0.71073","MoKα","","0.0435","0.0358","","","0.0928","0.0978","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234627","9.977","0.002","11.715","0.002","11.734","0.002","65.28","0.03","77.52","0.03","77.15","0.03","1202.8","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato- κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium]- μ-2-amino-1,3-benzothiazole-6-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>,<i>O</i>']","","- C26 H18 Cd N6 O4 S2 -","- C26 H18 Cd N6 O4 S2 -","- C52 H36 Cd2 N12 O8 S4 -","2","1","HB6715","Gao, Dan; Fang, Xin; Zhang, Ke-Ke; Cai, Li-Mao; Wang, Jun-Dong","<i>catena</i>-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium]-μ-2-amino-1,3-benzothiazole-6-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>,<i>O</i>']","Acta Crystallographica Section E","2012","68","5","m641","m642","10.1107/S160053681201642X","","","0.71073","MoKα","","0.0437","0.0398","","","0.0853","0.0877","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234628","9.5151","0.0003","23.7391","0.0009","12.155","0.0004","90","","96.209","0.001","90","","2729.46","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[5-chloro-2-(phenyldiazenyl-κ<i>N</i>^2^)pyridine- κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)iron(II)","","- C24 H16 Cl2 Fe N8 S2 -","- C24 H16 Cl2 Fe N8 S2 -","- C96 H64 Cl8 Fe4 N32 S8 -","4","1","HB6716","Vittaya, Luksamee; Leesakul, Nararak; Pakawatchai, Chaveng; Saithong, Saowanit; Hansongnern, Kanidtha","Bis[5-chloro-2-(phenyldiazenyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2012","68","5","m555","m556","10.1107/S1600536812014286","","","0.71073","MoKα","","0.0497","0.0431","","","0.1053","0.1099","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234629","8.1382","0.0016","6.3666","0.0013","15.758","0.003","90","","99.55","0.03","90","","805.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4-Dimethylpiperazine-1,4-diium bis(hexafluorophosphate) dihydrate","","- C6 H20 F12 N2 O2 P2 -","- C6 H20 F12 N2 O2 P2 -","- C12 H40 F24 N4 O4 P4 -","2","0.5","HB6717","Sun, Su-Wen","1,4-Dimethylpiperazine-1,4-diium bis(hexafluorophosphate) dihydrate","Acta Crystallographica Section E","2012","68","5","o1514","","10.1107/S1600536812017229","","","0.71073","MoKα","","0.1223","0.0675","","","0.1376","0.1632","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234630","5.5781","0.0011","12.931","0.003","9.81","0.002","90","","97.69","0.03","90","","701.2","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[copper(I)-di-μ-bromido-copper(I)-bis[μ-4-methyl- 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]]","","- C3 H5 Br Cu N3 S -","- C3 H5 Br Cu N3 S -","- C12 H20 Br4 Cu4 N12 S4 -","4","1","HB6718","Saithong, Saowanit; Charmant, Jonathan; Pakawatchai, Chaveng","<i>catena</i>-Poly[copper(I)-di-μ-bromido-copper(I)-bis[μ-4-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]]","Acta Crystallographica Section E","2012","68","5","m565","m566","10.1107/S1600536812014444","","","0.71074","MoKα","","0.0298","0.0268","","","0.0552","0.0563","","","","","","1.162","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234631","18.0371","0.0007","12.0249","0.0004","7.843","0.0002","90","","90","","90","","1701.1","0.1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{4-[Acetyl(ethyl)amino]benzenesulfonamido}benzoic acid","","- C17 H18 N2 O5 S -","- C17 H18 N2 O5 S -","- C68 H72 N8 O20 S4 -","4","1","HB6720","Mustafa, Ghulam; Khan, Islam Ullah; Khan, Farhan Mehmood; Akkurt, Mehmet","2-{4-[Acetyl(ethyl)amino]benzenesulfonamido}benzoic acid","Acta Crystallographica Section E","2012","68","5","o1305","","10.1107/S1600536812013864","","","0.71073","MoKα","","0.0426","0.0348","","","0.0885","0.0927","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234632","13.3212","0.0004","8.9093","0.0003","16.067","0.0005","90","","104.385","0.001","90","","1847.09","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium hydrogen phenylphosphonate","","- C18 H30 N O3 P -","- C18 H30 N O3 P -","- C72 H120 N4 O12 P4 -","4","1","HB6721","Diop, Tidiane; Diop, Libasse; Maris, Thierry; Stoeckli-Evans, Helen","Dicyclohexylammonium hydrogen phenylphosphonate","Acta Crystallographica Section E","2012","68","5","o1432","","10.1107/S160053681201553X","","","1.54178","CuKα","","0.038","0.0355","","","0.0953","0.0976","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234633","7.6372","0.0015","10.318","0.002","11.185","0.002","76.7","0.03","72.22","0.03","85.57","0.03","816.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Butyltriethylammonium di-μ-bromido-bis[dibromidomercurate(II)]","","- C20 H48 Br6 Hg2 N2 -","- C20 H48 Br6 Hg2 N2 -","- C20 H48 Br6 Hg2 N2 -","1","0.5","HB6722","Jin, Lei","Bis(butyltriethylammonium) di-μ-bromido-bis[dibromidomercurate(II)]","Acta Crystallographica Section E","2012","68","5","m657","","10.1107/S1600536812017011","","","0.71073","MoKα","","0.0733","0.0558","","","0.1408","0.1506","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234634","7.8909","0.0016","11.153","0.002","14.709","0.003","90","","92","0.03","90","","1293.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(<i>E</i>)-4-Amino-<i>N'</i>-(3-nitrobenzylidene)benzohydrazide","(<i>E</i>)-4-Amino-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C56 H48 N16 O12 -","4","1","HB6724","Xu, Shu-Qing","(<i>E</i>)-4-Amino-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1320","","10.1107/S1600536812014110","","","0.71073","MoKα","","0.0623","0.0573","","","0.1564","0.161","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234635","7.5725","0.0015","13.339","0.003","18.881","0.005","90","","113.42","0.03","90","","1750","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]- μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] trihydrate]","","- C12 H18 Cu N4 O9 -","- C12 H18 Cu N4 O9 -","- C48 H72 Cu4 N16 O36 -","4","1","HB6727","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan; Gao, Yue","<i>catena</i>-Poly[[[aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] trihydrate]","Acta Crystallographica Section E","2012","68","5","m659","","10.1107/S1600536812016856","","","0.71073","MoKα","","0.0452","0.0333","","","0.0808","0.0835","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234636","15.9625","0.0007","10.97","0.0005","21.6801","0.0009","90","","94.104","0.001","90","","3786.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dipotassium tetrakis(thiocyanato-κ<i>S</i>)palladate(II)‒ (2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)bis(thiocyanato- κ<i>S</i>)palladium(II) (1/2)","","- C24 H12 K2 N16 Pd3 S8 -","- C24 H12 K2 N16 Pd3 S8 -","- C96 H48 K8 N64 Pd12 S32 -","4","1","HB6728","Ha, Kwang","Dipotassium tetrakis(thiocyanato-κ<i>S</i>)palladate(II)‒(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)bis(thiocyanato-κ<i>S</i>)palladium(II) (1/2)","Acta Crystallographica Section E","2012","68","5","m616","m617","10.1107/S1600536812015383","","","0.71073","MoKα","","0.0462","0.03","","","0.0688","0.0795","","","","","","1.079","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234637","9.019","0.002","18.427","0.004","9.658","0.002","90","","110.14","0.04","90","","1506.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dichloridobis[diphenyl(thiophen-2-yl)phosphane- κ<i>P</i>]palladium(II)","","- C32 H26 Cl2 P2 Pd S2 -","- C32 H26 Cl2 P2 Pd S2 -","- C64 H52 Cl4 P4 Pd2 S4 -","2","0.5","HB6729","Burgoyne, Andrew R.; Meijboom, Reinout; Chiririwa, Haleden; Kirsten, Leo","<i>trans</i>-Dichloridobis[diphenyl(thiophen-2-yl)phosphane-κ<i>P</i>]palladium(II)","Acta Crystallographica Section E","2012","68","5","m588","","10.1107/S160053681201478X","","","0.71073","MoKα","","0.0525","0.0507","","","0.1099","0.1113","","","","","","1.188","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234638","12.1626","0.0016","12.2384","0.0016","27.778","0.004","80.388","0.002","84.699","0.002","87.431","0.002","4057.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Benzyl-<i>N</i>,<i>N</i>-dimethyloctadecan-1-aminium (2-thioxo-1,3-dithiole-4,5-dithiolato- κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)","","- C33 H50 N Ni S10 -","- C33 H50 N Ni S10 -","- C132 H200 N4 Ni4 S40 -","4","2","HB6730","Liu, Guang-Xiang","<i>N</i>-Benzyl-<i>N</i>,<i>N</i>-dimethyloctadecan-1-aminium (2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)","Acta Crystallographica Section E","2012","68","5","m678","","10.1107/S1600536812016698","","","0.71073","MoKα","","0.1045","0.0476","","","0.1009","0.1276","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234639","13.1918","0.0013","4.7199","0.0005","24.878","0.002","90","","103.127","0.003","90","","1508.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,6-Dichlorophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H13 Cl2 N O -","- C18 H13 Cl2 N O -","- C72 H52 Cl8 N4 O4 -","4","1","HB6731","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(2,6-Dichlorophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2012","68","5","o1385","","10.1107/S1600536812014869","","","0.71073","MoKα","","0.0989","0.0682","","","0.1535","0.1681","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234640","9.8299","0.0009","15.3823","0.0014","12.0833","0.001","90","","108.717","0.004","90","","1730.4","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one","","- C21 H23 N O S -","- C21 H23 N O S -","- C84 H92 N4 O4 S4 -","4","1","HB6732","Fun, Hoong-Kun; Chia, Tze Shyang; Shanmugavelan, Poovan; Ponnuswamy, Alagusundaram","4-Benzyl-8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one","Acta Crystallographica Section E","2012","68","5","o1438","","10.1107/S1600536812015358","","","0.71073","MoKα","","0.1164","0.0617","","","0.1219","0.1446","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234641","6.3166","0.0013","15.149","0.003","17.293","0.004","90","","92.55","0.03","90","","1653.1","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dimethyl(3-oxo-3-phenylpropyl)azanium tetrachloridoferrate(III)","","- C11 H16 Cl4 Fe N O -","- C11 H16 Cl4 Fe N O -","- C44 H64 Cl16 Fe4 N4 O4 -","4","1","HB6733","Jin, Lei","Dimethyl(3-oxo-3-phenylpropyl)azanium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","5","m709","","10.1107/S1600536812018600","","","0.71073","MoKα","","0.1259","0.0711","","","0.1544","0.1724","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234642","5.9082","0.0005","18.8626","0.0015","9.0088","0.0007","90","","91.867","0.002","90","","1003.44","0.14","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>,<i>R</i>)-4,4'-dibromo-2,2'- [cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","1","HB6734","Ha, Kwang","A monoclinic polymorph of (<i>R</i>,<i>R</i>)-4,4'-dibromo-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","5","o1449","","10.1107/S1600536812016376","","","0.71073","MoKα","","0.0765","0.039","","","0.0814","0.1083","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234643","7.3925","0.0018","8.3419","0.0019","25.626","0.006","90.226","0.006","92.753","0.006","114.409","0.006","1436.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[(<i>E</i>)-Oxido(pyridin-2-ylmethylidene)amine- κ^2^<i>N</i>,<i>N</i>'][(<i>E</i>)-<i>N</i>-(pyridin-2- ylmethylidene)hydroxylamine-κ^2^<i>N</i>,<i>N</i>']silver(I) perchlorate‒ bis[(<i>E</i>)-<i>N</i>-(pyridin-2-ylmethylidene)hydroxylamine- κ^2^<i>N</i>,<i>N</i>']silver(I) (1/1)","","- C24 H23 Ag2 Cl N8 O8 -","- C24 H23 Ag2 Cl N8 O8 -","- C48 H46 Ag4 Cl2 N16 O16 -","2","1","HB6736","Xu, Jing; Gao, Shan; Ng, Seik Weng; Tiekink, Edward R. T.","[(<i>E</i>)-Oxido(pyridin-2-ylmethylidene)amine-κ^2^<i>N</i>,<i>N</i>'][(<i>E</i>)-<i>N</i>-(pyridin-2-ylmethylidene)hydroxylamine-κ^2^<i>N</i>,<i>N</i>']silver(I) perchlorate‒bis[(<i>E</i>)-<i>N</i>-(pyridin-2-ylmethylidene)hydroxylamine-κ^2^<i>N</i>,<i>N</i>']silver(I) (1/1)","Acta Crystallographica Section E","2012","68","5","m639","m640","10.1107/S160053681201625X","","","0.71073","MoKα","","0.0767","0.0589","","","0.1571","0.1869","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234644","7.4663","0.0004","15.0789","0.0013","19.7266","0.0012","109.016","0.007","90.949","0.005","93.717","0.006","2093.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine","","- C27 H27 N3 -","- C27 H27 N3 -","- C108 H108 N12 -","4","2","HB6737","Huang, Jin-Sheng; Li, Mao-Kui; Yang, Yang-Yi; Ng, Seik Weng; Tiekink, Edward R. T.","2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine","Acta Crystallographica Section E","2012","68","5","o1463","o1464","10.1107/S1600536812016261","","","0.71073","MoKα","","0.147","0.0854","","","0.1844","0.2216","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234645","17.0029","0.0007","8.0198","0.0003","19.6532","0.0007","90","","90","","90","","2679.91","0.18","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2-olato)]copper(II) 0.25-hydrate","","- C12 H18.5 Cu N2 O2.25 -","- C12 H18.5 Cu N2 O2.25 -","- C96 H148 Cu8 N16 O18 -","8","1","HB6739","Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Hussain, Ajaz; Ahmed, Waseem; Arshad, Muhammad Nadeem","[4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2-olato)]copper(II) 0.25-hydrate","Acta Crystallographica Section E","2012","68","5","m670","","10.1107/S1600536812017102","","","0.71073","MoKα","","0.1273","0.0604","","","0.147","0.1901","","","","","","1.071","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234646","3.9829","0.0008","9.095","0.0019","12.122","0.003","90","","95.162","0.009","90","","437.33","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 5-bromo-2-hydroxybenzoate","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C16 H14 Br2 O6 -","2","1","HB6740","Mustafa, Ghulam; Khan, Islam Ullah; Ashiq, Muhammad Zar; Akkurt, Mehmet","Methyl 5-bromo-2-hydroxybenzoate","Acta Crystallographica Section E","2012","68","5","o1467","","10.1107/S1600536812016297","","","0.71073","MoKα","","0.0879","0.0584","","","0.127","0.1423","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234647","4.9046","0.0003","19.1113","0.0012","12.9469","0.0009","90","","91.565","0.005","90","","1213.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(2,6-Dichlorobenzylidene)furan-2-carbohydrazide","","- C12 H8 Cl2 N2 O2 -","- C12 H8 Cl2 N2 O2 -","- C48 H32 Cl8 N8 O8 -","4","1","HB6741","Xu, Jun","<i>N</i>'-(2,6-Dichlorobenzylidene)furan-2-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1455","","10.1107/S160053681201639X","","","0.71073","MoKα","","0.0795","0.047","","","0.1065","0.1264","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234648","9.4305","0.0005","13.9334","0.0008","25.6417","0.0014","90","","90","","90","","3369.3","0.3","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H16 Cl2 O4 -","- C18 H16 Cl2 O4 -","- C144 H128 Cl16 O32 -","8","1","HB6742","Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1465","","10.1107/S1600536812016339","","","0.71073","MoKα","","0.0345","0.0299","","","0.0831","0.0863","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234649","7.3199","0.0004","11.6311","0.0006","45.875","0.002","90","","90","","90","","3905.7","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylbenzoic acid‒<i>N</i>'-[(<i>E</i>)-4-methylbenzylidene]pyridine-4-carbohydrazide‒ water (1/1/1)","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C176 H184 N24 O32 -","8","1","HB6743","Fun, Hoong-Kun; Ooi, Chin Wei; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","4-Methylbenzoic acid‒<i>N</i>'-[(<i>E</i>)-4-methylbenzylidene]pyridine-4-carbohydrazide‒water (1/1/1)","Acta Crystallographica Section E","2012","68","5","o1492","","10.1107/S1600536812016868","","","0.71073","MoKα","","0.0489","0.0403","","","0.1013","0.1077","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234650","4.1992","0.0001","11.6081","0.0003","22.1035","0.0006","90","","94.815","0.001","90","","1073.63","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Nitrophenylcarbamothioyl)acetamide","","- C9 H9 N3 O3 S -","- C9 H9 N3 O3 S -","- C36 H36 N12 O12 S4 -","4","1","HB6744","Shahwar, Durre; Tahir, M. Nawaz; Chohan, Muhammad Mansha; Khan, Muhammad Akmal; Ahmad, Nadeem","<i>N</i>-(2-Nitrophenylcarbamothioyl)acetamide","Acta Crystallographica Section E","2012","68","5","o1578","","10.1107/S1600536812016947","","","0.71073","MoKα","","0.0594","0.0387","","","0.0931","0.1051","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234651","7.2545","0.0015","13.847","0.003","6.9975","0.0014","90","","115.46","0.03","90","","634.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(1<i>H</i>-imidazol-3-ium-4,5-dicarboxylato- κ^2^<i>O</i>^4^,<i>O</i>^5^)magnesium","","- C10 H10 Mg N4 O10 -","- C10 H10 Mg N4 O10 -","- C20 H20 Mg2 N8 O20 -","2","0.5","HB6745","Łuczyńska-Szymczak, Katarzyna; Starosta, Wojciech; Leciejewicz, Janusz","<i>trans</i>-Diaquabis(1<i>H</i> imidazolium-4,5-dicarboxylato-κ^2^<i>O</i>^4^,<i>O</i>^5^)magnesium","Acta Crystallographica Section E","2012","68","5","m688","","10.1107/S1600536812017667","","","0.71073","MoKα","","0.0508","0.0328","","","0.0904","0.1007","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234652","6.6983","0.0007","10.1497","0.0011","13.2082","0.0014","90.172","0.007","91.097","0.007","99.251","0.007","886.11","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminobenzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato-κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)zincate hexahydrate","","- C30 H42 N4 O16 S2 Zn -","- C30 H42 N4 O16 S2 Zn -","- C30 H42 N4 O16 S2 Zn -","1","0.5","HB6746","Zhang, Fan; Lv, Tian-Xi; Feng, Jie; Lin, Qiu-Yue","Bis(2-aminobenzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)zincate hexahydrate","Acta Crystallographica Section E","2012","68","5","m684","","10.1107/S1600536812017886","","","0.71073","MoKα","","","0.0468","","","0.0728","0.0873","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234653","17.8","0.002","10.5804","0.0013","18.107","0.002","90","","118.374","0.001","90","","3000.4","0.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>,<i>N</i>'-bis(pyridin-2- ylmethyl)ethane-1,2-diamine]copper(II) perchlorate methanol monosolvate","","- C29 H34 Cl2 Cu N4 O5 -","- C29 H34 Cl2 Cu N4 O5 -","- C116 H136 Cl8 Cu4 N16 O20 -","4","1","HB6747","Song, Hui-Ting; Mao, Jia-Wei; Liu, Ming; Pan, Zhi-Quan","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine]copper(II) perchlorate methanol monosolvate","Acta Crystallographica Section E","2012","68","5","m694","m695","10.1107/S1600536812017941","","","0.71073","MoKα","","0.0614","0.0474","","","0.1069","0.1099","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234654","21.2454","0.0015","13.2363","0.0007","12.1954","0.0007","90","","90","","90","","3429.5","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","7-Phenyl-7,8-dihydrodibenzo[<i>f</i>,<i>h</i>][1,4]dioxecine-5,10-dione","1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C22 H16 O4 -","- C22 H16 O4 -","- C176 H128 O32 -","8","1","HB6748","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong","1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1551","","10.1107/S1600536812018065","","","0.71073","MoKα","","0.0907","0.0441","","","0.0916","0.1132","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234655","8.0436","0.0009","21.775","0.002","12.8809","0.0011","90","","125.613","0.005","90","","1834.1","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-(2-Bromophenyl)-7,8-dihydrodibenzo[<i>f</i>,<i>h</i>][1,4]dioxecine-5,10-dione","1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C22 H15 Br O4 -","- C22 H15 Br O4 -","- C88 H60 Br4 O16 -","4","1","HB6749","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong","1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1552","","10.1107/S1600536812018053","","","0.71073","MoKα","","0.0748","0.039","","","0.0892","0.1021","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234656","6.7223","0.0002","8.0369","0.0002","15.4101","0.0005","75.32","0.002","88.482","0.001","78.842","0.001","789.93","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(6-Methoxy-2-oxo-2<i>H</i>-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C32 H34 N2 O6 S4 -","2","1","HB6751","Mahabaleshwaraiah, N. M.; Kumar, K. Mahesh; Kotresh, O.; Al-eryani, Waleed Fadl Ali; Devarajegowda, H. C.","(6-Methoxy-2-oxo-2<i>H</i>-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","5","o1566","","10.1107/S1600536812017953","","","0.71073","MoKα","","0.0504","0.0453","","","0.1243","0.128","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234657","8.0504","0.0003","9.6941","0.0004","11.1893","0.0004","106.426","0.001","91.798","0.001","98.606","0.001","825.65","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Dimethyl 1-(3-hydroxy-2-iodo-1-phenylpropyl)-1<i>H</i>-1,2,3-triazole-4,5-dicarboxylate","","- C15 H16 I N3 O5 -","- C15 H16 I N3 O5 -","- C30 H32 I2 N6 O10 -","2","1","HB6752","Fun, Hoong-Kun; Chia, Tze Shyang; Archana, Sivasubramanian; Dinesh, Murugan; Ponnuswamy, Alagusundaram","Dimethyl 1-(3-hydroxy-2-iodo-1-phenylpropyl)-1<i>H</i>-1,2,3-triazole-4,5-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1559","","10.1107/S1600536812018193","","","0.71073","MoKα","","0.0151","0.0147","","","0.038","0.0382","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234658","8.9624","0.0005","10.2127","0.0006","13.3281","0.0007","67.78","0.001","86.776","0.001","85.293","0.001","1125.1","0.11","100","1","100","","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)- 1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3- (2,6-difluorophenyl)prop-2-en-1-one","","- C28 H18 F4 O2 -","- C28 H18 F4 O2 -","- C56 H36 F8 O4 -","2","1","HB6753","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2,6-difluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1560","o1561","10.1107/S160053681201820X","","","0.71073","MoKα","","0.0652","0.0462","","","0.1281","0.1435","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234659","7.7975","0.0011","13.638","0.002","24.854","0.004","90","","90","","90","","2643","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)","","- C13 H10 Cl2 Cu N2 O -","- C13 H10 Cl2 Cu N2 O -","- C104 H80 Cl16 Cu8 N16 O8 -","8","1","HG5195","Wang, Haixia; Lang, Yuehe; Wang, Shaohong","Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)","Acta Crystallographica Section E","2012","68","5","m540","","10.1107/S1600536812013359","","","0.71073","MoKα","","0.0684","0.0381","","","0.0825","0.0975","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234660","8.576","0.004","10.735","0.004","13.438","0.006","73.752","0.009","86.085","0.009","71.886","0.008","1128.6","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5,5,7,12,14,14-Hexamethyl-1,8-diaza-4,11-diazoniacyclotetradeca-4,11-diene dichloride trihydrate","","- C16 H40 Cl2 N4 O3 -","- C16 H40 Cl2 N4 O3 -","- C32 H80 Cl4 N8 O6 -","2","1","HG5196","Ismail, Wafiuddin; Yamin, Bohari M.; Daran, Jean-Claude","5,5,7,12,14,14-Hexamethyl-1,8-diaza-4,11-diazoniacyclotetradeca-4,11-diene dichloride trihydrate","Acta Crystallographica Section E","2012","68","5","o1476","o1477","10.1107/S1600536812016649","","","0.71073","MoKα","","0.082","0.0546","","","0.1223","0.1358","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234661","7.2576","0.0015","12.008","0.002","11.917","0.002","90","","97.76","0.03","90","","1029","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Diaquabis[5-(pyridine-3-carboxamido)tetrazolido- κ^2^<i>O</i>,<i>N</i>^1^]zinc dihydrate","","- C14 H18 N12 O6 Zn -","- C14 H18 N12 O6 Zn -","- C28 H36 N24 O12 Zn2 -","2","0.5","HG5200","Li, Fang; Ou, Xiang-Ping; Huang, Chang-Cang","<i>trans</i>-Diaquabis[5-(pyridine-3-carboxamido)tetrazolido-κ^2^<i>O</i>,<i>N</i>^1^]zinc dihydrate","Acta Crystallographica Section E","2012","68","5","m653","m654","10.1107/S1600536812014997","","","0.71073","MoKα","","0.0507","0.0451","","","0.0969","0.0996","","","","","","1.188","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234662","11.297","0.0006","6.6094","0.0003","11.248","0.0006","90","","97.243","0.005","90","","833.15","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine","","- C7 H7 N3 S2 -","- C7 H7 N3 S2 -","- C28 H28 N12 S8 -","4","1","HG5202","Köysal, Yavuz; Deniz, Sadık; Butcher, Ray J.; Öztürk Yildirim, Sema; Jasinski, Jerry P.; Keeley, Amanda C.","5-(Thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2012","68","5","o1279","","10.1107/S1600536812013633","","","1.54184","CuKα","","0.0452","0.0446","","","0.119","0.1201","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234663","8.177","0.005","17.243","0.005","11.191","0.005","90","","102.07","0.005","90","","1543","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-benzoyl-6-methylindolizine-7-carboxylate","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","HG5204","Liao, Shang-Tie","Ethyl 2-benzoyl-6-methylindolizine-7-carboxylate","Acta Crystallographica Section E","2012","68","5","o1457","","10.1107/S1600536812016212","","","0.71069","MoKα","","0.0707","0.056","","","0.1465","0.1662","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234664","11.4915","0.0004","12.0673","0.0005","13.0695","0.0006","111.864","0.004","92.141","0.003","93.705","0.003","1674.79","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-(4-methylphenyl)prop-2-en-1-one","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","2","HG5205","Prasath, R.; Bhavana, P.; Butcher, Ray J.","(<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1501","","10.1107/S1600536812015498","","","1.54178","CuKα","","0.056","0.0482","","","0.1328","0.1427","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234665","14.3353","0.001","8.7683","0.0005","11.9839","0.0008","90","","102.181","0.007","90","","1472.42","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)quinoline- κ<i>N</i>]zinc","","- C14 H13 Cl2 N3 Zn -","- C14 H13 Cl2 N3 Zn -","- C56 H52 Cl8 N12 Zn4 -","4","1","HG5206","Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)quinoline-κ<i>N</i>]zinc","Acta Crystallographica Section E","2012","68","5","m571","m572","10.1107/S1600536812014390","","","0.71073","MoKα","","0.0803","0.0503","","","0.1065","0.1237","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234666","7.1819","0.0007","8.9393","0.0008","10.2511","0.001","105.296","0.005","105.174","0.004","101.43","0.004","586.9","0.1","160","2","160","2","","","","","","","","3","P -1","-P 1","2","Alternariol 9-<i>O</i>-methyl ether","3,7-dihydroxy-9-methoxy-1-methyl-6<i>H</i>-benzo[<i>c</i>]chromen-6-one","","- C15 H12 O5 -","- C15 H12 O5 -","- C30 H24 O10 -","2","1","HG5207","Dasari, Sreekanth; Bhadbhade, Mohan; Neilan, Brett A.","Alternariol 9-<i>O</i>-methyl ether","Acta Crystallographica Section E","2012","68","5","o1471","","10.1107/S1600536812015000","","","0.71073","MoKα","","0.0412","0.0329","","","0.0901","0.0959","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234667","16.206","0.005","8.513","0.002","12.021","0.003","90","","92.352","0.002","90","","1657","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propyl 2-(4-methylbenzenesulfonamido)benzoate","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C68 H76 N4 O16 S4 -","4","1","HG5208","Mustafa, Ghulam; Muhmood, Tahir; Khan, Islam Ullah; Akkurt, Mehmet","Propyl 2-(4-methylbenzenesulfonamido)benzoate","Acta Crystallographica Section E","2012","68","5","o1388","","10.1107/S1600536812015528","","","0.71073","MoKα","","0.0943","0.0564","","","0.1569","0.1782","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234668","5.7","0.0001","11.0136","0.0002","22.7545","0.0004","90","","95.198","0.002","90","","1422.6","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-{[(Benzylsulfanyl)methanethioyl]amino}-2-methylaniline","Benzyl 3-(2-methylphenyl)dithiocarbazate","","- C15 H16 N2 S2 -","- C15 H16 N2 S2 -","- C60 H64 N8 S8 -","4","1","HG5209","Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","Benzyl 3-(2-methylphenyl)dithiocarbazate","Acta Crystallographica Section E","2012","68","5","o1402","","10.1107/S160053681201567X","","","1.5418","CuKα","","0.0365","0.0349","","","0.0956","0.0972","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234669","8.989","0.003","11.163","0.004","13.722","0.004","90","","90","","90","","1376.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Chloro-4'-ethyl-3<i>H</i>-spiro[1,3-benzothiazole-2,1'-cyclohexane]","","- C14 H18 Cl N S -","- C14 H18 Cl N S -","- C56 H72 Cl4 N4 S4 -","4","1","HG5210","Akkurt, Mehmet; Cihan-Üstündağ, Gökçe; Çapan, Gültaze; Türktekin-Çelikesir, Sevim; Tahir, Muhammad Nawaz","5-Chloro-4'-ethyl-3<i>H</i>-spiro[1,3-benzothiazole-2,1'-cyclohexane]","Acta Crystallographica Section E","2012","68","5","o1466","","10.1107/S1600536812016479","","","0.71073","MoKα","","0.0484","0.0384","","","0.0856","0.0916","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234670","9.798","0.002","12.042","0.002","15.389","0.003","112.31","0.03","94.51","0.03","108.93","0.03","1546.1","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tri-<i>tert</i>-butylphosphonium hydroxytris(pentafluorophenyl)borate","","- C30 H29 B F15 O P -","- C30 H29 B F15 O P -","- C60 H58 B2 F30 O2 P2 -","2","1","HG5215","Klahn, Marcus; Spannenberg, Anke; Rosenthal, Uwe","Tri-<i>tert</i>-butylphosphonium hydroxytris(pentafluorophenyl)borate","Acta Crystallographica Section E","2012","68","5","o1549","","10.1107/S1600536812018144","","","0.71073","MoKα","","0.0522","0.03","","","0.066","0.0694","","","","","","0.839","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234671","5.8428","0.0001","16.3177","0.0002","32.1286","0.0005","90","","90","","90","","3063.17","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Potassium [1-(<i>tert</i>-butoxycarbonyl)-1<i>H</i>-indol-3-yl]trifluoroborate hemihydrate","","- C13 H15 B F3 K N O2.5 -","- C13 H15 B F3 K N O2.5 -","- C104 H120 B8 F24 K8 N8 O20 -","8","2","HP2034","Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Potassium [1-(<i>tert</i>-butoxycarbonyl)-1<i>H</i>-indol-3-yl]trifluoroborate hemihydrate","Acta Crystallographica Section E","2012","68","5","m551","m552","10.1107/S1600536812014225","","","0.71073","MoKα","","0.0375","0.0317","","","0.0717","0.0745","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234672","15.6635","0.0002","15.6635","0.0002","27.1833","0.0006","90","","90","","90","","6669.29","0.19","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetrakis[μ~3~-4-nitro-<i>N</i>-(5-phenyl-1,3,4-oxadiazol-2- yl)benzamidato]tetrakis[methanolsodium(I)]","","- C64 H52 N16 Na4 O20 -","- C64 H52 N16 Na4 O20 -","- C256 H208 N64 Na16 O80 -","4","0.25","HP2035","Yin, Guo-Jie; Zhang, Qing; Li, Dong","Tetrakis[μ~3~-4-nitro-<i>N</i>-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamidato]tetrakis[methanolsodium(I)]","Acta Crystallographica Section E","2012","68","5","m570","","10.1107/S1600536812014791","","","0.71073","MoKα","","0.0564","0.0399","","","0.0968","0.1057","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234673","7.3384","0.0007","24.582","0.002","8.8559","0.0008","90","","111.158","0.001","90","","1489.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen- 1-yl)acetato-κ<i>O</i>]cobalt(II)","","- C32 H34 Co N4 O6 -","- C32 H34 Co N4 O6 -","- C64 H68 Co2 N8 O12 -","2","0.5","HY2522","Zhao, Hong; Yin, Fu-Jun; Xu, Xing-You; Han, Li-Jun","Diaquabis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ<i>O</i>]cobalt(II)","Acta Crystallographica Section E","2012","68","5","m533","","10.1107/S1600536812013505","","","0.71073","MoKα","","0.0398","0.0318","","","0.0802","0.084","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234674","13.243","0.005","7.983","0.005","15.248","0.005","90","","94.873","0.005","90","","1606.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Ferrocenymethyl-<i>N</i>-phenylpropionamide","","- C20 H21 Fe N O -","- C20 H21 Fe N O -","- C80 H84 Fe4 N4 O4 -","4","1","HY2528","Khelef, Abdelhamid; Terki, Belgacem; Mahboub, Mohammed Sadok; Lanez, Touhami","<i>N</i>-Ferrocenymethyl-<i>N</i>-phenylpropionamide","Acta Crystallographica Section E","2012","68","5","m647","","10.1107/S1600536812016303","","","0.71073","MoKα","","0.0534","0.0343","","","0.0766","0.0942","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234675","22.837","0.005","5.9004","0.0012","16.012","0.003","90","","117.08","0.03","90","","1921","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[(dichloridozinc)-μ-4,4'-bis[(1<i>H</i>-imidazol-1- yl)methyl]biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C20 H18 Cl2 N4 Zn -","- C20 H18 Cl2 N4 Zn -","- C80 H72 Cl8 N16 Zn4 -","4","0.5","HY2529","Wang, Cheng; Wen, Bo; Sun, Zhi-Yao; Yan, Peng-Fei; Gao, Jin-Sheng","<i>catena</i>-Poly[(dichloridozinc)-μ-4,4'-bis[(1<i>H</i>-imidazol-1-yl)methyl]biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2012","68","5","m576","","10.1107/S1600536812014043","","","0.71073","MoKα","","0.0378","0.0308","","","0.0799","0.0829","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234676","7.3363","0.001","6.1934","0.0009","25.219","0.004","90","","97.708","0.002","90","","1135.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaquabis{μ-5-[4-(1<i>H</i>-imidazol-1- ylmethyl)phenyl]tetrazolato}copper(II)]","","- C22 H22 Cu N12 O2 -","- C22 H22 Cu N12 O2 -","- C44 H44 Cu2 N24 O4 -","2","0.5","HY2532","Li, Yuan; Chen, Ruizhan","Poly[diaquabis{μ-5-[4-(1<i>H</i>-imidazol-1-ylmethyl)phenyl]tetrazolato}copper(II)]","Acta Crystallographica Section E","2012","68","5","m622","","10.1107/S1600536812015176","","","0.71073","MoKα","","0.0336","0.031","","","0.0831","0.085","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234677","11.462","0.009","7.121","0.005","16.116","0.012","90","","95.418","0.014","90","","1309.5","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-3-(pyridin-4-yl)-1<i>H</i>-1,2,4- triazol-1-ido-κ<i>N</i>^1^]cobalt(II) methanol disolvate","","- C24 H26 Co N12 O4 -","- C24 H26 Co N12 O4 -","- C48 H52 Co2 N24 O8 -","2","0.5","HY2533","Bi, Yan; Wu, Na; Chen, Jing","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^]cobalt(II) methanol disolvate","Acta Crystallographica Section E","2012","68","5","m600","","10.1107/S160053681201495X","","","0.71073","MoKα","","0.0632","0.0404","","","0.0932","0.1036","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234678","16.07","0.004","9.471","0.002","23.54","0.006","90","","107.685","0.004","90","","3413.4","1.4","113","2","113","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Poly[[dodecaaquabis(μ~3~-pyridine-2,6-dicarboxylato)tetrakis(μ~2~-pyridine- 2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate]","","- C42 H63 Ca3 Eu2 N6 O46.5 -","- C42 H54 Ca3 Eu2 N6 O46.5 -","- C84 H108 Ca6 Eu4 N12 O93 -","2","0.5","HY2534","Shi, Fengjuan; Deng, Jiguang; Dai, Hongxing","Poly[[dodecaaquabis(μ~3~-pyridine-2,6-dicarboxylato)tetrakis(μ~2~-pyridine-2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate]","Acta Crystallographica Section E","2012","68","5","m685","m686","10.1107/S1600536812018028","","","0.71073","MoKα","","0.0515","0.0424","","","0.0903","0.0937","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234679","10.0074","0.001","17.7556","0.0017","14.5125","0.0014","90","","102.924","0.001","90","","2513.4","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido- 1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-bromido-[(2,2'-bipyidine- 2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]- μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","","- C23 H16 Br Cu4 N7 -","- C23 H16 Br Cu4 N7 -","- C92 H64 Br4 Cu16 N28 -","4","1","HY2536","Gu, Jia; Jiang, Xuee; Su, Zhanhua; Zhou, Baibin","<i>catena</i>-Poly[[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-bromido-[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","Acta Crystallographica Section E","2012","68","5","m693","","10.1107/S1600536812018120","","","0.71073","MoKα","","0.0817","0.0352","","","0.0697","0.0839","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234680","7.9191","0.0007","12.3873","0.0005","15.393","0.006","90","","90","","90","","1510","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dicarbonyl[4-(2,6-dimethylphenylamino)pent-3-en-2-onato- κ^2^<i>N</i>,<i>O</i>]rhodium(I)","","- C15 H16 N O3 Rh -","- C15 H16 N O3 Rh -","- C60 H64 N4 O12 Rh4 -","4","1","HY2537","Venter, Gertruida J. S.; Steyl, Gideon; Roodt, Andreas","Dicarbonyl[4-(2,6-dimethylphenylamino)pent-3-en-2-onato-κ^2^<i>N</i>,<i>O</i>]rhodium(I)","Acta Crystallographica Section E","2012","68","5","m666","m667","10.1107/S1600536812017175","","","0.71073","MoKα","","0.0166","0.0165","","","","0.042","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234681","20.467","0.004","7.1699","0.0014","7.7569","0.0016","90","","93.83","0.03","90","","1135.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Bis(3-methylanilinium) hexachloridostannate(IV) dihydrate","","- C14 H24 Cl6 N2 O2 Sn -","- C14 H24 Cl6 N2 O2 Sn -","- C28 H48 Cl12 N4 O4 Sn2 -","2","0.25","HY2538","Liu, Ming-Liang","Bis(3-methylanilinium) hexachloridostannate(IV) dihydrate","Acta Crystallographica Section E","2012","68","5","m681","","10.1107/S1600536812017618","","","0.71073","MoKα","","0.0304","0.0298","","","0.0952","0.0958","","","","","","0.917","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234682","10.4533","0.0018","10.5018","0.0018","12.626","0.002","104.745","0.009","91.146","0.01","96.21","0.01","1330.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazin-1-yl]- 4-{[3-(dimethylazaniumyl)propyl]amino}quinazolin-1-ium bis(perchlorate)","","- C20 H25 Cl3 N6 O8 -","- C20 H25 Cl3 N6 O8 -","- C40 H50 Cl6 N12 O16 -","2","1","IM2363","Jiang, Nan; Zuo, Jian; Wang, Haiyan; Han, Ming; Zhai, Xin","(<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazin-1-yl]-4-{[3-(dimethylazaniumyl)propyl]amino}quinazolin-1-ium bis(perchlorate)","Acta Crystallographica Section E","2012","68","5","o1557","o1558","10.1107/S1600536812018272","","","0.71073","MoKα","","0.0833","0.0714","","","0.2066","0.2191","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234683","28.667","0.007","3.9702","0.001","17.95","0.004","90","","112.92","0.003","90","","1881.7","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Amino-6-(dimethylamino)pyridine-3,5-dicarbonitrile","","- C9 H9 N5 -","- C9 H9 N5 -","- C72 H72 N40 -","8","1","IM2369","Mohamed, Shaaban K.; Soliman, Ahmed M.; Abdel-Raheem, Eman M. M.; Saeed, Sohail; Wong, Wing-Tak","2-Amino-6-(dimethylamino)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","5","o1532","","10.1107/S1600536812017278","","","0.71073","MoKα","","0.0723","0.048","","","0.1316","0.1469","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234684","12.2627","0.001","11.1044","0.0008","23.2861","0.0017","90","","98.391","0.002","90","","3136.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(nitrato-κ^2^<i>O</i>,<i>O</i>')bis[4,4,5,5-tetramethyl-2-(pyridin- 2-yl-κ<i>N</i>)imidazoline-1-oxyl 3-oxide-κ<i>O</i>]holmium(III)","","- C24 H32 Ho N9 O13 -","- C24 H32 Ho N9 O13 -","- C96 H128 Ho4 N36 O52 -","4","1","IS5078","Li, Dong-Jiao","Tris(nitrato-κ^2^<i>O</i>,<i>O</i>')bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κ<i>N</i>)imidazoline-1-oxyl 3-oxide-κ<i>O</i>]holmium(III)","Acta Crystallographica Section E","2012","68","5","m550","","10.1107/S1600536812012445","","","0.71075","MoKα","","0.0565","0.0438","","","0.0586","0.061","","","","","","1.253","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234685","5.1997","0.001","27.188","0.005","6.4347","0.0013","90","","111.24","0.03","90","","847.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-\ μ-pyrazine-2-carboxylato] nitrate dihydrate]","","- C10 H14 Ag N5 Ni O11 -","- C10 H14 Ag N5 Ni O11 -","- C20 H28 Ag2 N10 Ni2 O22 -","2","0.5","IS5099","Yang, Min; Chai, Li-Yuan; Yi, Xiao-Yi","<i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-μ-pyrazine-2-carboxylato] nitrate dihydrate]","Acta Crystallographica Section E","2012","68","5","m689","","10.1107/S1600536812018119","","","0.71073","MoKα","","0.0947","0.0699","","","0.2245","0.2445","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234686","12.0606","0.001","16.6747","0.0013","8.9469","0.0007","90","","108.08","0.002","90","","1710.4","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,6-Dimethylphenyl)-2,2-diphenylacetamide","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","IS5102","Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(2,6-Dimethylphenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2012","68","5","o1287","o1288","10.1107/S1600536812013451","","","0.71073","MoKα","","0.0809","0.0559","","","0.1235","0.1393","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234687","8.521","0.0005","10.7809","0.0006","11.2707","0.0007","90.411","0.001","97.205","0.001","94.21","0.001","1024.28","0.1","100","1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Diethyl 4-[5-(4-chlorophenyl)-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl-1,4- dihydropyridine-3,5-dicarboxylate","","- C22 H24 Cl N3 O4 -","- C22 H24 Cl N3 O4 -","- C44 H48 Cl2 N6 O8 -","2","1","IS5103","Fun, Hoong-Kun; Loh, Wan-Sin; Vijesh, A. M.; Isloor, Arun M.; Malladi, Shridhar","Diethyl 4-[5-(4-chlorophenyl)-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1289","o1290","10.1107/S160053681201344X","","","0.71073","MoKα","","0.0457","0.0382","","","0.1009","0.1073","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234688","3.8626","0.0002","27.9946","0.001","14.4943","0.0005","90","","95.64","0.003","90","","1559.71","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-1<i>H</i>-1,2,3,4-tetrazole","","- C7 H5 Cl N4 -","- C7 H5 Cl N4 -","- C56 H40 Cl8 N32 -","8","2","IS5104","Kim, Jong Tae; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae","1-(4-Chlorophenyl)-1<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section E","2012","68","5","o1344","","10.1107/S1600536812014353","","","0.71073","MoKα","","0.0693","0.0494","","","0.0937","0.1005","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234689","10.077","0.002","8.1235","0.0016","17.101","0.003","90","","124.86","0.03","90","","1148.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[(aquadimethanolzinc)-μ-furan-2,5- dicarboxylato-κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]","","- C8 H12 O8 Zn -","- C8 H12 O8 Zn -","- C32 H48 O32 Zn4 -","4","1","IS5106","Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan","<i>catena</i>-Poly[(aquadimethanolzinc)-μ-furan-2,5-dicarboxylato-κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","5","m595","","10.1107/S1600536812014936","","","0.71073","MoKα","","0.1123","0.0616","","","0.1252","0.142","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234690","11.9682","0.0008","7.4526","0.0005","17.0749","0.0014","90","","108.072","0.006","90","","1447.85","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(<i>N</i>-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole- 2(3<i>H</i>)-thione","","- C14 H13 N3 O S2 -","- C14 H13 N3 O S2 -","- C56 H52 N12 O4 S8 -","4","1","IS5107","El-Emam, Ali A.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.; Fun, Hoong-Kun; Chia, Tze Shyang","3-[(<i>N</i>-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","5","o1345","o1346","10.1107/S1600536812014419","","","1.54178","CuKα","","0.0852","0.0484","","","0.1378","0.1555","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234691","13.8329","0.0007","7.3107","0.0004","17.5302","0.0012","90","","128.157","0.004","90","","1393.99","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Adamantan-1-yl)-4-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C14 H21 N3 S -","- C14 H21 N3 S -","- C56 H84 N12 S4 -","4","1","IS5108","El-Emam, Ali A.; El-Brollosy, Nasser R.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","3-(Adamantan-1-yl)-4-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","5","o1347","","10.1107/S1600536812014407","","","1.54178","CuKα","","0.0969","0.0616","","","0.1538","0.1669","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234692","10.2307","0.001","9.3038","0.0011","20.652","0.002","90","","90","","90","","1965.7","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 2-({6-[(1-methoxy-2-methyl-1-oxopropan-2- yl)carbamoyl]pyridin-2-yl}formamido)-2-methylpropanoate","","- C17 H23 N3 O6 -","- C17 H23 N3 O6 -","- C68 H92 N12 O24 -","4","1","IS5109","Al-Omar, Mohamed A.; Amr, Abdel-Galil E.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","Methyl 2-({6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridin-2-yl}formamido)-2-methylpropanoate","Acta Crystallographica Section E","2012","68","5","o1377","o1378","10.1107/S1600536812014651","","","1.54178","CuKα","","0.0668","0.0502","","","0.1233","0.1331","","","","","","0.905","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234693","6.112","0.004","14.278","0.008","22.395","0.012","90","","90","","90","","1954","2","293","","293","","","","","","","","","5","P n n m","-P 2 2n","58","","Poly[[dodecaaqua(μ~4~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>')dicerium(III)] bis(benzene-1,4-dicarboxylate)]","","- C17 H22 Ce N O12 -","- C17 H22 Ce N O12 -","- C68 H88 Ce4 N4 O48 -","4","0.5","IS5110","Kumagai, Hitoshi; Sakamoto, Yoshiyuki; Kawata, Satoshi; Inagaki, Shinji","Poly[[dodecaaqua(μ~4~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicerium(III)] bis(benzene-1,4-dicarboxylate)]","Acta Crystallographica Section E","2012","68","5","m643","m644","10.1107/S1600536812016388","","","0.7107","MoKα","","","0.0338","","","","0.0678","","","","","","1.392","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234694","6.1984","0.0002","17.0998","0.0004","13.7007","0.0003","90","","91.036","0.001","90","","1451.92","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Xerophenone A","(1<i>R</i>,3<i>R</i>,4<i>R</i>,6<i>S</i>,8<i>E</i>,10<i>R</i>)-10-hydroxy-8- [hydroxy(phenyl)methylene]-4-methyl-1,6-bis(3-methylbut-2-en-1-yl)-3-(3- methylbut-3-en-1-yl)-11-oxatricyclo[4.3.1.1^4,10^]undecane-7,9-dione","","- C33 H42 O5 -","- C33 H42 O5 -","- C66 H84 O10 -","2","1","IS5112","Fun, Hoong-Kun; Tantapakul, Cholpisut; Laphookhieo, Surat; Boonnak, Nawong; Chantrapromma, Suchada","Absolute configuration of xerophenone A","Acta Crystallographica Section E","2012","68","5","o1451","o1452","10.1107/S1600536812015267","","","1.54178","CuKα","","0.0371","0.0365","","","0.0985","0.099","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234695","14.9549","0.0015","13.2642","0.0011","17.9393","0.0017","90","","109.015","0.003","90","","3364.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[6-(4-Bromophenyl)imidazo[2,1-<i>b</i>][1,3]thiazol-3-yl]-<i>N</i>- [8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate","","- C32 H39 Br N4 O5 S2 -","- C32 H39 Br N4 O5 S2 -","- C128 H156 Br4 N16 O20 S8 -","4","1","IS5113","Akkurt, Mehmet; Gürsoy, Elif; Güzeldemirci, Nuray Ulusoy; Türktekin-Çelikesir, Sevim; Tahir, Muhammad Nawaz","2-[6-(4-Bromophenyl)imidazo[2,1-<i>b</i>][1,3]thiazol-3-yl]-<i>N</i>-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate","Acta Crystallographica Section E","2012","68","5","o1505","o1506","10.1107/S1600536812015371","","","0.71073","MoKα","","0.1708","0.056","","","0.1155","0.1498","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234696","11.9409","0.0003","9.5478","0.0003","22.0034","0.0006","90","","103.61","0.002","90","","2438.15","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(1-Adamantyl)-4-amino-1-(2-benzoyl-1-phenylethyl)-1<i>H</i>-1,2,4-triazol- 5(4<i>H</i>)-thione","","- C27 H30 N4 O S -","- C27 H30 N4 O S -","- C108 H120 N16 O4 S4 -","4","1","IS5114","Lahsasni, Siham; El-Emam, Ali A.; El-Brollosy, Nasser R.; Quah, Ching Kheng; Fun, Hoong-Kun","3-(1-Adamantyl)-4-amino-1-(2-benzoyl-1-phenylethyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","5","o1439","o1440","10.1107/S1600536812015929","","","1.54178","CuKα","","0.0755","0.0565","","","0.13","0.1402","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234697","10.4357","0.0006","12.4953","0.0008","12.8706","0.0005","90","","107.019","0.003","90","","1604.79","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-[(1-Hydroxy-1-phenylpropan-2-yl)amino]-5,5-dimethylcyclohex-2-enone","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","2","IS5115","Ghorab, Mostafa M.; Al-Said, Mansour S.; Alqasoumi, Saleh I.; Chia, Tze Shyang; Fun, Hoong-Kun","3-[(1-Hydroxy-1-phenylpropan-2-yl)amino]-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2012","68","5","o1436","o1437","10.1107/S160053681201570X","","","1.54178","CuKα","","0.0699","0.0515","","","0.1391","0.1504","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234698","7.0182","0.0004","7.3443","0.0004","13.7142","0.0008","91.742","0.001","100.836","0.001","112.878","0.001","635.47","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-2-(4-Chlorobenzylidene)benzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol-3(2<i>H</i>)-one","","- C16 H9 Cl N2 O S -","- C16 H9 Cl N2 O S -","- C32 H18 Cl2 N4 O2 S2 -","2","1","IS5117","Fun, Hoong-Kun; Chantrapromma, Suchada; Abdel-Aziz, Hatem A.","(<i>Z</i>)-2-(4-Chlorobenzylidene)benzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1393","o1394","10.1107/S1600536812015516","","","0.71073","MoKα","","0.0343","0.0295","","","0.0777","0.0819","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234699","6.6666","0.0015","7.5437","0.0017","24.781","0.006","81.526","0.004","82.969","0.004","66.632","0.004","1128.7","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-[3-(4-Chlorobenzoyloxy)benzylidene]pyridine-4- carbohydrazide acetic acid monosolvate monohydrate","","- C22 H20 Cl N3 O6 -","- C22 H20 Cl N3 O6 -","- C44 H40 Cl2 N6 O12 -","2","1","IS5118","Diao, Chun-Hua; Fan, Zhi","(<i>E</i>)-<i>N</i>'-[3-(4-Chlorobenzoyloxy)benzylidene]pyridine-4-carbohydrazide acetic acid monosolvate monohydrate","Acta Crystallographica Section E","2012","68","5","o1517","","10.1107/S1600536812017369","","","0.71073","MoKα","","0.0801","0.043","","","0.0986","0.1185","","","","","","1.03","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234700","4.6611","0.0002","19.8907","0.0009","20.9081","0.0009","90","","91.988","0.004","90","","1937.28","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-Ethyl 2-cyano-3-(furan-2-yl)acrylate","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C80 H72 N8 O24 -","8","2","IS5119","Kalkhambkar, Rajesh G.; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae","(<i>E</i>)-Ethyl 2-cyano-3-(furan-2-yl)acrylate","Acta Crystallographica Section E","2012","68","5","o1482","","10.1107/S1600536812016510","","","0.71073","MoKα","","0.1288","0.0662","","","0.1695","0.2085","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234701","8.0494","0.0001","8.5317","0.0001","10.711","0.0002","87.624","0.001","81.378","0.001","66.709","0.001","667.871","0.018","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C15 H10 Br F O2 S -","- C15 H10 Br F O2 S -","- C30 H20 Br2 F2 O4 S2 -","2","1","IS5120","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","5","o1470","","10.1107/S1600536812016789","","","0.71073","MoKα","","0.0272","0.0245","","","0.0628","0.064","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234702","17.9868","0.0007","10.383","0.0003","21.2154","0.0006","90","","124.671","0.002","90","","3258.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-7-[2-(4-Bromophenyl)hydrazin-1-ylidene]-6-methyl-3-(pyridin-4-yl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","","- C16 H12 Br N7 S -","- C16 H12 Br N7 S -","- C128 H96 Br8 N56 S8 -","8","2","IS5121","Fun, Hoong-Kun; Chantrapromma, Suchada; Bhat, Mashooq A.; Abdel-Aziz, Hatem A.","(<i>Z</i>)-7-[2-(4-Bromophenyl)hydrazin-1-ylidene]-6-methyl-3-(pyridin-4-yl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2012","68","5","o1512","o1513","10.1107/S1600536812017412","","","0.71073","MoKα","","0.1284","0.047","","","0.0872","0.1122","","","","","","0.986","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234703","8.2291","0.0009","22.02","0.003","7.3355","0.0011","90","","90","","90","","1329.2","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[2-(Trifluoromethyl)phenyl]-2<i>H</i>-1-benzopyran-4(3<i>H</i>)-one","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C64 H44 F12 O8 -","4","1","KJ2198","Francuski, Bojana M.; Ivković, Branka; Stojanović, Ivana; Vladimirov, Sote; Francuski, Djordje","2-[2-(Trifluoromethyl)phenyl]-2<i>H</i>-1-benzopyran-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1522","","10.1107/S160053681201687X","","","0.71073","MoKα","","0.1537","0.0868","","","0.0934","0.1093","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234704","7.7255","0.0006","13.2184","0.0011","15.8335","0.0012","90","","118.148","0.005","90","","1425.7","0.2","296","","296","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-Amino-4-nitrophenol‒1-(2,4,6-trihydroxyphenyl)ethanone (1/1)","","- C14 H14 N2 O7 -","- C14 H14 N2 O7 -","- C56 H56 N8 O28 -","4","1","KJ2199","Kocabıyık, Can; Paşaoğlu, Hümeyra; Basılı, Taşkın; Ağar, Erbil","2-Amino-4-nitrophenol‒1-(2,4,6-trihydroxyphenyl)ethanone (1/1)","Acta Crystallographica Section E","2012","68","5","o1527","o1528","10.1107/S1600536812017497","","","0.71073","MoKα","","0.09","0.0462","","","0.0868","0.0982","","","","","","0.968","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234705","13.831","0.003","8.9904","0.0018","14.978","0.003","90","","112.79","0.03","90","","1717.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethoxymethyl-5-methyl-9-phenyl-6,7,8,9-tetrahydro-1<i>H</i>- pyrimido[4,5-<i>b</i>][1,4]diazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","","- C17 H22 N4 O3 -","- C17 H22 N4 O3 -","- C68 H88 N16 O12 -","4","1","KP2397","Li, Gong; Wang, Xiaowei; Zhang, Zhili; Liu, Junyi","1-Ethoxymethyl-5-methyl-9-phenyl-6,7,8,9-tetrahydro-1<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]diazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","5","o1396","","10.1107/S1600536812014985","","","0.71073","MoKα","","0.1481","0.0791","","","0.2249","0.2504","","","","","","0.863","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234706","7.607","0.0006","8.0621","0.0008","9.1509","0.0009","102.762","0.001","97.495","0.001","106.073","0.002","514.84","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[(<i>trans</i>-diaquacadmium)-bis{μ- 5-[4-(1<i>H</i>-imidazol-1-yl)phenyl]tetrazol-1-ido}]","","- C20 H18 Cd N12 O2 -","- C20 H18 Cd N12 O2 -","- C20 H18 Cd N12 O2 -","1","0.5","KP2399","Tong, Shao-Wei; Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo","<i>catena</i>-Poly[(<i>trans</i>-diaquacadmium)-bis{μ-5-[4-(1<i>H</i>-imidazol-1-yl)phenyl]tetrazol-1-ido}]","Acta Crystallographica Section E","2012","68","5","m585","m586","10.1107/S1600536812014626","","","0.71073","MoKα","","0.0278","0.0265","","","0.064","0.065","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234707","16.2714","0.0014","7.6529","0.0007","20.2448","0.0018","90","","91.691","0.001","90","","2519.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethoxy-4'-nitro-1,1'-biphenyl","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C112 H104 N8 O32 -","8","2","KP2400","Li, Xin-Min; Hou, Yan-Jun; Chu, Wen-Yi; Sun, Zhi-Zhong","3,4-Dimethoxy-4'-nitro-1,1'-biphenyl","Acta Crystallographica Section E","2012","68","5","o1292","","10.1107/S1600536812013657","","","0.71073","MoKα","","0.0572","0.0377","","","0.0945","0.1035","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234708","18.3004","0.001","8.3399","0.0007","5.6563","0.0001","90","","90","","90","","863.28","0.09","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,3-Dimethyl-1<i>H</i>-indazol-6-amine","","- C9 H11 N3 -","- C9 H11 N3 -","- C36 H44 N12 -","4","1","KP2401","Zhang, Xiao-Kai; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke; Wang, Ping-Bao","1,3-Dimethyl-1<i>H</i>-indazol-6-amine","Acta Crystallographica Section E","2012","68","5","o1291","","10.1107/S1600536812013694","","","0.71073","MoKα","","0.0675","0.0546","","","0.1376","0.1487","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234709","14.38","0.003","9.31","0.0019","13.27","0.003","90","","106.21","0.03","90","","1705.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-9-Benzyl-2-[(1<i>RS</i>)-1-hydroxybenzyl]- 9-azabicyclo[3.3.1]nonan-3-one","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","KP2402","Lazny, Ryszard; Wolosewicz, Karol; Dauter, Zbigniew; Brzezinski, Krzysztof","(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-9-Benzyl-2-[(1<i>RS</i>)-1-hydroxybenzyl]-9-azabicyclo[3.3.1]nonan-3-one from synchrotron data","Acta Crystallographica Section E","2012","68","5","o1367","","10.1107/S1600536812014754","","","0.61992","synchrotron","","0.0431","0.0398","","","0.1169","0.1194","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234710","9.5361","0.0019","15.941","0.003","24.853","0.005","90","","90","","90","","3778","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-methyl-7- (trifluoromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine","","- C20 H11 Cl2 F4 N3 -","- C20 H11 Cl2 F4 N3 -","- C160 H88 Cl16 F32 N24 -","8","1","KP2407","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Jiang, Ming-Jun; Xu, Li-Feng","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2012","68","5","o1515","","10.1107/S1600536812017345","","","0.71073","MoKα","","0.0717","0.0552","","","0.1399","0.1525","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234711","16.024","0.003","14.808","0.003","15.872","0.003","90","","100.065","0.003","90","","3708.2","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,17-Dibromo-26,28-bis[(methoxycarbonyl)methoxy]-25,27-dipropoxy-2,8,14,20- tetrathiacalix[4]arene","","- C36 H34 Br2 O8 S4 -","- C36 H34 Br2 O8 S4 -","- C144 H136 Br8 O32 S16 -","4","1","LD2052","Zhang, Li-Jing; Liu, Ling-Ling; Liu, Qi-Kui; Guo, Dian-Shun","5,17-Dibromo-26,28-bis[(methoxycarbonyl)methoxy]-25,27-dipropoxy-2,8,14,20-tetrathiacalix[4]arene","Acta Crystallographica Section E","2012","68","5","o1353","o1354","10.1107/S1600536812014559","","","0.71073","MoKα","","0.0651","0.0415","","","0.0846","0.0909","","","","","","0.927","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234712","12.11","0.0009","15.5996","0.0012","16.0253","0.0012","90","","90","","90","","3027.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","[2-(1<i>H</i>-Indol-4-yl)ethyl]dipropylamine","","- C16 H24 N2 -","- C16 H24 N2 -","- C128 H192 N16 -","8","1","LD2053","Wang, De-Cai; Pan, Hua-Yang; Song, Jun-Song; Wei, Ping; Ou-yang, Ping-Kai","[2-(1<i>H</i>-Indol-4-yl)ethyl]dipropylamine","Acta Crystallographica Section E","2012","68","5","o1502","","10.1107/S1600536812015474","","","0.71073","MoKα","","0.1464","0.0598","","","0.1007","0.1222","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234713","10.8558","0.0012","10.9385","0.0012","11.8946","0.0013","74.443","0.001","80.967","0.001","71.448","0.001","1286","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3,11-Dibromo-14-(4-chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene dimethylformamide monosolvate","","- C30 H22 Br2 Cl N O2 -","- C30 H22 Br2 Cl N O2 -","- C60 H44 Br4 Cl2 N2 O4 -","2","1","LD2054","Song, Yong Bin; Liu, Bo","3,11-Dibromo-14-(4-chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","5","o1460","","10.1107/S1600536812016200","","","0.71073","MoKα","","0.0703","0.0388","","","0.0838","0.0912","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234714","10.8061","0.0003","9.9466","0.0003","18.4288","0.0005","90","","98.23","0.003","90","","1960.4","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(<i>p</i>-toluenesulfonato-κ<i>O</i>)silver(I)]- μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']","","- C20 H21 Ag N2 O3 S -","- C20 H21 Ag N2 O3 S -","- C80 H84 Ag4 N8 O12 S4 -","4","1","LH5431","Ma, Feng; Wei, Dai-Bao; Cao, Zhi-Min","<i>catena</i>-Poly[[(<i>p</i>-toluenesulfonato-κ<i>O</i>)silver(I)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2012","68","5","m611","m612","10.1107/S1600536812015218","","","0.7107","MoKα","","0.0413","0.0303","","","0.0731","0.075","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234715","7.7264","0.0004","11.8757","0.0006","12.9471","0.0005","90","","93.332","0.003","90","","1185.97","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Tetrachloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)platinum(IV)","","- C6 H8 Cl4 N4 Pt -","- C6 H8 Cl4 N4 Pt -","- C24 H32 Cl16 N16 Pt4 -","4","0.5","LH5433","Bokach, Nadezhda A.; Kukushkin, Vadim Yu.; Izotova, Yulia A.; Usenko, Natalia I.; Haukka, Matti","<i>cis</i>-Tetrachloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)platinum(IV)","Acta Crystallographica Section E","2012","68","5","m547","m548","10.1107/S1600536812013323","","","0.71073","MoKα","","0.0223","0.0185","","","0.0354","0.0368","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234716","7.4577","0.0015","9.0399","0.0019","9.792","0.002","86.895","0.002","86.51","0.002","84.707","0.002","655.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(acetato-κ^2^<i>O</i>,<i>O</i>')aqua(μ~4~-1<i>H</i>-benzimidazole-5,6- dicarboxylato- κ^6^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^: <i>O</i>^6'^)cerium(III)]","","- C11 H9 Ce N2 O7 -","- C11 H9 Ce N2 O7 -","- C22 H18 Ce2 N4 O14 -","2","1","LH5440","Chen, Jinhua; Wang, Yuezhu; Zheng, Chun; Luo, Yifan","Poly[(acetato-κ^2^<i>O</i>,<i>O</i>')aqua(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^6^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)cerium(III)]","Acta Crystallographica Section E","2012","68","5","m673","","10.1107/S1600536812017503","","","0.71073","MoKα","","0.0243","0.0228","","","0.0532","0.054","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234717","9.232","0.003","16.144","0.006","16.67","0.006","90","","104.439","0.006","90","","2406","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(dicyanamido- κ<i>N</i>)manganese(II)","","- C24 H16 Mn N10 -","- C24 H16 Mn N10 -","- C96 H64 Mn4 N40 -","4","1","LH5441","Wang, Haixia; Wang, Shaohong; Lang, Yuehe","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(dicyanamido-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2012","68","5","m569","","10.1107/S1600536812014183","","","0.71073","MoKα","","0.0963","0.0558","","","0.1431","0.1776","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234718","12.419","0.007","19.722","0.01","17.588","0.007","90","","123.25","0.03","90","","3603","3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-[1,4-Bis(diphenylphosphanyl)butane- κ^2^<i>P</i>,<i>P</i>']dichlorido(cyclohexane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>')ruthenium(II) dichloromethane monosolvate","","- C35 H44 Cl4 N2 P2 Ru -","- C35 H44 Cl4 N2 P2 Ru -","- C140 H176 Cl16 N8 P8 Ru4 -","4","1","LH5442","Warad, Ismail","<i>cis</i>-[1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']dichlorido(cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","m563","m564","10.1107/S1600536812014080","","","0.71073","MoKα","","0.0615","0.0496","","","0.1254","0.1349","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234719","8.6638","0.0001","19.9429","0.0002","13.5225","0.0001","90","","94.937","0.001","90","","2327.77","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-(4-Bromophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine- 3',2''-indane]-2,1''(1<i>H</i>)-dione","","- C30 H22 Br N O2 -","- C30 H22 Br N O2 -","- C120 H88 Br4 N4 O8 -","4","1","LH5443","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","4'-(4-Bromophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","5","o1340","o1341","10.1107/S1600536812014213","","","0.71073","MoKα","","0.0624","0.0363","","","0.0742","0.0845","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234720","10.264","0.002","10.803","0.002","10.168","0.002","90","","98.61","0.03","90","","1114.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-<i>p</i>-Tolylpyrrolidine-1-carboxamide","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","LH5444","Li, Yu-Feng","<i>N</i>-<i>p</i>-Tolylpyrrolidine-1-carboxamide","Acta Crystallographica Section E","2012","68","5","o1275","","10.1107/S1600536812013578","","","0.71073","MoKα","","0.0687","0.0522","","","0.1584","0.1834","","","","","","1.137","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234721","9.282","0.002","15.849","0.004","14.711","0.004","90","","108.048","0.004","90","","2057.7","0.9","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(μ-4-Bromo-3,5-dimethylpyrazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)-μ-chlorido- bis[bis(4-bromo-3,5-dimethylpyrazole-κ<i>N</i>^2^)chloridocopper(II)] acetonitrile monosolvate","","- C27 H37 Br5 Cl3 Cu2 N11 -","- C27 H37 Br5 Cl3 Cu2 N11 -","- C54 H74 Br10 Cl6 Cu4 N22 -","2","1","LH5445","Wei, Wei; Xu, Yanhui","(μ-4-Bromo-3,5-dimethylpyrazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)-μ-chlorido-bis[bis(4-bromo-3,5-dimethylpyrazole-κ<i>N</i>^2^)chloridocopper(II)] acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","5","m557","","10.1107/S160053681201402X","","","0.71073","MoKα","","0.0284","0.0244","","","0.0352","0.036","","","","","","0.875","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234722","5.6915","0.0001","15.1889","0.0002","16.5967","0.0002","90","","97.845","0.001","90","","1421.32","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-Diphenyl-<i>N</i>-(1,3-thiazol-2-yl)acetamide","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","LH5446","Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2,2-Diphenyl-<i>N</i>-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2012","68","5","o1312","o1313","10.1107/S1600536812013840","","","0.71073","MoKα","","0.0533","0.042","","","0.0982","0.1057","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234723","10.8608","0.0013","12.6158","0.0014","29.419","0.003","90","","90","","90","","4030.9","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl","","- C24 H22 O4 -","- C24 H22 O4 -","- C192 H176 O32 -","8","2","LH5447","Zhou, Liang; Eli, Wumanjiang","(<i>R</i>)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl","Acta Crystallographica Section E","2012","68","5","o1361","","10.1107/S1600536812014699","","","0.71073","MoKα","","0.082","0.0613","","","0.1333","0.1486","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234724","5.5938","0.0003","11.2522","0.0006","14.4864","0.0009","90","","104.571","0.003","90","","882.48","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Dibromo-1,2-dimethyl-1<i>H</i>-imidazol-3-ium bromide","","- C5 H7 Br3 N2 -","- C5 H7 Br3 N2 -","- C20 H28 Br12 N8 -","4","1","LH5448","Bahnous, Mebarek; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","4,5-Dibromo-1,2-dimethyl-1<i>H</i>-imidazol-3-ium bromide","Acta Crystallographica Section E","2012","68","5","o1391","","10.1107/S1600536812015310","","","0.71073","MoKα","","0.0355","0.0269","","","0.0575","0.0601","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234725","15.3351","0.0007","15.3898","0.0007","14.3398","0.0007","90","","109.178","0.001","90","","3196.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-bromido-bis({2-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6- dimethylpyrimidine-κ^2^<i>N</i>^1^,<i>S</i>^2^}copper(I))","","- C24 H28 Br2 Cu2 N8 S4 -","- C24 H28 Br2 Cu2 N8 S4 -","- C96 H112 Br8 Cu8 N32 S16 -","4","0.5","LH5449","Nimthong, Ruthairat; Pakawatchai, Chaveng; Wattanakanjana, Yupa","Di-μ-bromido-bis({2-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine-κ^2^<i>N</i>^1^,<i>S</i>^2^}copper(I))","Acta Crystallographica Section E","2012","68","5","m645","","10.1107/S1600536812016315","","","0.71073","MoKα","","0.0347","0.0282","","","0.0733","0.0769","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234726","17.576","0.004","7.999","0.0016","10.152","0.002","90","","105.88","0.03","90","","1372.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Carbamoyl-1-(2-nitrobenzyl)pyridinium bromide","","- C13 H12 Br N3 O3 -","- C13 H12 Br N3 O3 -","- C52 H48 Br4 N12 O12 -","4","1","LH5450","Kim, Kyung Beom; Jung, Kwang-Deog; Kim, Cheal; Kim, Youngmee","3-Carbamoyl-1-(2-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2012","68","5","o1441","o1442","10.1107/S1600536812015917","","","0.71073","MoKα","","0.0515","0.0359","","","0.0805","0.0857","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234727","10.759","0.001","11.8778","0.0011","15.013","0.0015","90","","107.047","0.004","90","","1834.3","0.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2-methylprop-2-enoate","","- C19 H18 Cl2 O4 -","- C19 H18 Cl2 O4 -","- C76 H72 Cl8 O16 -","4","1","LH5451","Kong, Fan-rui; Wang, Qiang; Xu, Liang-zhong","3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2-methylprop-2-enoate","Acta Crystallographica Section E","2012","68","5","o1531","","10.1107/S1600536812016340","","","0.71073","MoKα","","0.043","0.0346","","","0.0881","0.0917","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234728","13.753","0.004","11.077","0.003","19.37","0.006","90","","107.856","0.005","90","","2808.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3- carbonitrile","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C128 H104 Cl8 N16 O16 -","8","1","LH5452","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Singh, Kuldip; Allahverdiyev, M. A.","2-Amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2012","68","5","o1414","o1415","10.1107/S1600536812015838","","","0.71073","MoKα","","0.066","0.0486","","","0.1144","0.1216","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234729","5.588","0.003","11.85","0.007","12.653","0.008","74.787","0.01","88.884","0.009","86.461","0.009","806.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-1,3-Bis(4-chlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en- 1-one","","- C17 H11 Cl2 N3 O -","- C17 H11 Cl2 N3 O -","- C34 H22 Cl4 N6 O2 -","2","1","LH5453","Dai, Ling-Ling; Yin, Ben-Tao; Lv, Jing-Song; Cui, Sheng-Feng; Zhou, Cheng-He","(<i>Z</i>)-1,3-Bis(4-chlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1456","","10.1107/S1600536812016170","","","0.71073","MoKα","","0.0479","0.0371","","","0.0971","0.105","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234730","7.7565","0.0002","11.4103","0.0002","10.3339","0.0003","90","","94.888","0.002","90","","911.27","0.04","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-azaniumyl-7-carboxytricyclo[2.2.1.0^2,6^]heptane-3-carboxylate monohydrate","<i>rac</i>-3-<i>exo</i>-Ammonio-7-<i>anti</i>- carboxytricyclo[2.2.1.0^2,6^]heptane-3-<i>endo</i>-carboxylate monohydrate","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C36 H52 N4 O20 -","4","1","LH5454","Smith, Graham; Wermuth, Urs D.; Jenkins, Ian D.","<i>rac</i>-3-<i>exo</i>-Ammonio-7-<i>anti</i>-carboxytricyclo[2.2.1.0.^2,6^]heptane-3-<i>endo</i>-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","5","o1468","o1469","10.1107/S1600536812016236","","","0.71073","MoKα","","0.0582","0.0375","","","0.0858","0.0913","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234731","5.936","0.0003","8.1992","0.0004","15.9068","0.0008","90","","91.222","0.003","90","","774.02","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Cyanomethyl 4-(4-methylbenzenesulfonamido)benzoate","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C32 H28 N4 O8 S2 -","2","1","LH5455","Mustafa, Ghulam; Akkurt, Mehmet; Khan, Islam Ullah; Muhmood, Tahir","Cyanomethyl 4-(4-methylbenzenesulfonamido)benzoate","Acta Crystallographica Section E","2012","68","5","o1488","","10.1107/S1600536812017126","","","0.71073","MoKα","","0.0707","0.0461","","","0.0957","0.1064","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234732","8.5647","0.0003","10.0019","0.0004","18.7031","0.0007","90","","90","","90","","1602.17","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-<i>N</i>-Benzyl-2,6-dideoxy-2,6-imino-3,4-<i>O</i>-isopropylidene- 3-<i>C</i>-methyl-<i>D</i>-allononitrile","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","LH5456","Ayers, Benjamin J.; Jenkinson, Sarah F.; Fleet, George W. J.; Thompson, Amber L.","2-<i>N</i>-Benzyl-2,6-dideoxy-2,6-imino-3,4-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-<small>D</small>-allononitrile","Acta Crystallographica Section E","2012","68","5","o1474","","10.1107/S1600536812016273","","","0.71073","MoKα","","0.0494","0.0405","","0.1064","0.1001","0.1064","","","","","","0.9711","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234733","14.5262","0.0004","14.6086","0.0006","10.8338","0.0004","90","","90","","90","","2299.01","0.14","193","2","193","2","","","","","","","","7","P n n m","-P 2 2n","58","","Di-μ~2~-chlorido-dichloridooctamethyldi-μ~3~-oxido-tetratin(IV) bis[chloridodimethyl(pyrrolidine-1-carbodithioato- κ^2^<i>S</i>,<i>S</i>')tin(IV)]","","- C22 H52 Cl6 N2 O2 S4 Sn6 -","- C22 H52 Cl6 N2 O2 S4 Sn6 -","- C44 H104 Cl12 N4 O4 S8 Sn12 -","2","0.25","LR2051","Rodríguez, Nicolás; Brandão, Pedro F. B.; Okio, Coco K. Y. A.","Di-μ~2~-chlorido-dichloridooctamethyldi-μ~3~-oxido-tetratin(IV) bis[chloridodimethyl(pyrrolidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>')tin(IV)]","Acta Crystallographica Section E","2012","68","5","m672","","10.1107/S1600536812017485","","","0.71073","MoKα","","0.0348","0.0284","","","0.0637","0.0661","","","","","","1.123","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234734","10.1933","0.0012","13.6224","0.0016","12.5249","0.0015","90","","105.409","0.002","90","","1676.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-<i>d</i>]pyrimidin- 4(3<i>H</i>)-one] ethanol disolvate","","- C36 H40 N6 O6 -","- C36 H40 N6 O6 -","- C72 H80 N12 O12 -","2","0.5","LR2054","Li, Li; Qu, Yong-Nian; Gong, Jian; Hu, Yang-Gen","3,3'-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one] ethanol disolvate","Acta Crystallographica Section E","2012","68","5","o1282","o1283","10.1107/S160053681201375X","","","0.71073","MoKα","","0.0665","0.0542","","","0.143","0.1509","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234735","17.112","0.003","11.135","0.002","12.126","0.002","90","","104.85","0.03","90","","2233.3","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[tetraaquacopper(II)]-μ-4,4'bipyridyl- κ^2^<i>N</i>:<i>N</i>'] tetrafluoridosuccinate tetrahydrate]","","- C14 H24 Cu F4 N2 O12 -","- C14 H24 Cu F4 N2 O12 -","- C56 H96 Cu4 F16 N8 O48 -","4","0.5","MW2062","Yu, Guo-Jun; Xu, Lan-Ping; Qin, Lan; Han, Lei","<i>catena</i>-Poly[[[tetraaquacopper(II)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] tetrafluoridosuccinate tetrahydrate]","Acta Crystallographica Section E","2012","68","5","m598","","10.1107/S1600536812014948","","","0.71073","MoKα","","0.0415","0.0271","","","0.0577","0.085","","","","","","1.282","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234736","8.6644","0.0015","10.959","0.002","15.856","0.003","94.241","0.01","101.501","0.009","95.204","0.01","1462.7","0.5","90","0.5","90","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3,3',4,4',7,7',8,8'-Octamethyl-2<i>H</i>,2'<i>H</i>-1,1'- bi(cyclopenta[<i>fg</i>]acenaphthylenylidene)-2,2',5,5',6,6'-hexaone dichloromethane monosolvate","","- C37 H26 Cl2 O6 -","- C37 H26 Cl2 O6 -","- C74 H52 Cl4 O12 -","2","1","MW2064","McCandless, Gregory T.; Sygula, Andrzej; Rabideau, Peter W.; Watkins, Steven F.; Fronczek, Frank R.","(<i>E</i>)-3,3',4,4',7,7',8,8'-Octamethyl-2<i>H</i>,2'<i>H</i>-1,1'-bi(cyclopenta[<i>fg</i>]acenaphthylenylidene)-2,2',5,5',6,6'-hexaone dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","o1458","o1459","10.1107/S1600536812016091","","","0.71073","MoKα","","0.0691","0.0448","","","","0.1139","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234737","25.079","0.004","8.1963","0.0007","18.397","0.003","90","","131.77","0.01","90","","2820.4","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-Chlorobenzoyl)-4-methylbenzenesulfonamide","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C112 H96 Cl8 N8 O24 S8 -","8","1","NC2273","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorobenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","5","o1403","","10.1107/S1600536812015681","","","0.71073","MoKα","","0.1204","0.0709","","","0.0995","0.1147","","","","","","1.159","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234738","13.6286","0.0005","6.4269","0.0002","14.129","0.0005","90","","116.937","0.002","90","","1103.29","0.07","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis[4-(<i>tert</i>-butylsulfanyl)phenyl]buta-1,3-diyne","","- C24 H26 S2 -","- C24 H26 S2 -","- C48 H52 S4 -","2","0.5","NC2274","Seidel, Nadine; Förster, Sebastian; Seichter, Wilhelm; Weber, Edwin","1,4-Bis[4-(<i>tert</i>-butylsulfanyl)phenyl]buta-1,3-diyne","Acta Crystallographica Section E","2012","68","5","o1543","","10.1107/S1600536812017710","","","0.71073","MoKα","","0.0469","0.0339","","","0.0823","0.0909","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234739","20.047","0.004","9.592","0.002","13.67","0.003","90","","117.81","0.002","90","","2325","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~3~-5-azaniumylisophthalato)(μ-oxalato)neodymium(III)]","","- C10 H8 N Nd O9 -","- C10 H8 N Nd O9 -","- C80 H64 N8 Nd8 O72 -","8","1","NG5259","Yin, Xia; Xiao, Tian-Tian; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Poly[aqua(μ~3~-5-azaniumylisophthalato)(μ-oxalato)neodymium(III)]","Acta Crystallographica Section E","2012","68","5","m537","","10.1107/S1600536812013554","","","0.71073","MoKα","","0.0312","0.0244","","","0.0534","0.0563","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234740","16.3722","0.0018","6.9543","0.0007","16.0422","0.0017","90","","118.684","0.002","90","","1602.4","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichloridobis(quinoline-κ<i>N</i>)platinum(II)","","- C18 H14 Cl2 N2 Pt -","- C18 H14 Cl2 N2 Pt -","- C72 H56 Cl8 N8 Pt4 -","4","0.5","NG5260","Ha, Kwang","<i>trans</i>-Dichloridobis(quinoline-κ<i>N</i>)platinum(II)","Acta Crystallographica Section E","2012","68","5","m536","","10.1107/S1600536812013608","","","0.71073","MoKα","","0.0661","0.0339","","","0.0699","0.0795","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234741","33.688","0.0015","4.7962","0.0003","12.3337","0.0006","90","","90","","90","","1992.81","0.18","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4-Bis[4-(methoxycarbonyl)benzyl]-1<i>H</i>-1,2,4-triazol-4-ium bromide","","- C20 H20 Br N3 O4 -","- C20 H20 Br N3 O4 -","- C80 H80 Br4 N12 O16 -","4","1","NG5263","Guo, Wen-Jiao; Huang, Hua-Rong; Du, Zhi-Yun; Fang, Yan-Xiong; Zhang, Kun","1,4-Bis[4-(methoxycarbonyl)benzyl]-1<i>H</i>-1,2,4-triazol-4-ium bromide","Acta Crystallographica Section E","2012","68","5","o1553","","10.1107/S1600536812016728","","","1.5418","CuKα","","0.03","0.0271","","","0.0671","0.0693","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234742","7.8198","0.0011","8.9417","0.0013","12.3507","0.0019","85.325","0.012","72.84","0.012","80.411","0.012","813.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Iodido(tri-<i>tert</i>-butylphosphane-κ<i>P</i>)gold(I)","","- C12 H27 Au I P -","- C12 H27 Au I P -","- C24 H54 Au2 I2 P2 -","2","1","NG5264","Sänger, Inge; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","Iodido(tri-<i>tert</i>-butylphosphane-κ<i>P</i>)gold(I)","Acta Crystallographica Section E","2012","68","5","m708","","10.1107/S1600536812018569","","","0.71073","MoKα","","0.0391","0.0375","","","0.095","0.0964","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234743","10.7858","0.0002","23.2456","0.0004","15.153","0.0003","90","","91.916","0.001","90","","3797.07","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[1,1'-Bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>'](η^5^- cyclopentadienyl)(dicyanamido-κ<i>N</i>)ruthenium(II) dichloromethane monosolvate","","- C42 H35 Cl2 Fe N3 P2 Ru -","- C42 H35 Cl2 Fe N3 P2 Ru -","- C168 H140 Cl8 Fe4 N12 P8 Ru4 -","4","1","NK2142","Gao, Libin","[1,1'-Bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>'](η^5^-cyclopentadienyl)(dicyanamido-κ<i>N</i>)ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","m560","","10.1107/S1600536812014274","","","0.71073","MoKα","","0.0755","0.05","","","0.0962","0.1109","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234744","10.3039","0.0004","24.9425","0.001","11.574","0.0004","90","","93.197","0.001","90","","2969.95","0.19","187","2","187","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[tris(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-<i>L</i>- lysinato-κ^3^<i>N</i>^1^,<i>O</i>^1^:<i>O</i>^1'^)dizinc(II)] tetranitrate 0.6-hydrate dimethylformamide disolvate]","","- C48 H67.2 N16 O18.6 Zn2 -","- C48 H67.2 N16 O18.6 Zn2 -","- C96 H134.4 N32 O37.2 Zn4 -","2","1","NK2149","Li, Shu-Qiang; Hu, Ning-Hai","Poly[[tris(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-<small>L</small>-lysinato-κ^3^<i>N</i>^1^,<i>O</i>^1^:<i>O</i>^1'^)dizinc(II)] tetranitrate 0.6-hydrate dimethylformamide disolvate]","Acta Crystallographica Section E","2012","68","5","m633","m634","10.1107/S1600536812016121","","","0.71073","MoKα","","0.0464","0.0414","","","0.1032","0.1067","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234745","5.2545","0.0011","7.0617","0.0014","16.469","0.003","97.39","0.03","92.96","0.05","106.05","0.03","580","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(3-Carboxyphenyl)pyridinium nitrate","","- C12 H10 N2 O5 -","- C12 H10 N2 O5 -","- C24 H20 N4 O10 -","2","1","PK2401","Tang, Long; Wu, Ya-Pan; Fu, Feng; Zhang, Zhu-Lian; Guo, Hai-Kang","4-(3-Carboxyphenyl)pyridinium nitrate","Acta Crystallographica Section E","2012","68","5","o1322","","10.1107/S1600536812013918","","","0.71073","MoKα","","0.0773","0.0498","","","0.1125","0.1265","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234746","8.4289","0.0008","15.1128","0.0014","13.4196","0.0013","90","","104.077","0.001","90","","1658.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloridobis[2-(1-hydrazinylideneethyl)pyrazine-κ<i>N</i>^1^]zinc","","- C12 H16 Cl2 N8 Zn -","- C12 H16 Cl2 N8 Zn -","- C48 H64 Cl8 N32 Zn4 -","4","1","PK2404","Liang, Li-li; Li, Meng; Liu, Jia-cheng; Wei, Yun","Dichloridobis[2-(1-hydrazinylideneethyl)pyrazine-κ<i>N</i>^1^]zinc","Acta Crystallographica Section E","2012","68","5","m710","","10.1107/S1600536812016418","","","0.71073","MoKα","","0.0375","0.029","","","0.0743","0.0781","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234747","9.826","0.002","13.29","0.003","14.698","0.003","73.22","0.03","83.32","0.03","89.79","0.03","1824.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~3~-3,5- dicarboxybenzoato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(μ~3~-5- carboxybenzene-1,3-dicarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tetrakis(methylformamide- κ<i>O</i>)trimanganese(II)] dimethylformamide tetrasolvate]","","- C60 H78 Mn3 N8 O34 -","- C60 H78 Mn3 N8 O34 -","- C60 H78 Mn3 N8 O34 -","1","0.5","PK2407","Lei, Jing-Wei; Xie, Cai-Xia; Yang, Huai-xia","Poly[[diaquabis(μ~3~-3,5-dicarboxybenzoato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(μ~3~-5-carboxybenzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)tetrakis(methylformamide-κ<i>O</i>)trimanganese(II)] dimethylformamide tetrasolvate]","Acta Crystallographica Section E","2012","68","5","m697","m698","10.1107/S1600536812017734","","","0.71073","MoKα","","0.0737","0.0579","","","0.1086","0.1162","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234748","8.329","0.0017","23.141","0.005","8.6692","0.0017","90","","90.93","0.03","90","","1670.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2<i>H</i>-1,2-benzothiazin-4-yl]acetic acid","","- C17 H12 F3 N O4 S -","- C17 H12 F3 N O4 S -","- C68 H48 F12 N4 O16 S4 -","4","1","PV2523","Yang, Yanchun; Yu, Youzhu; Zhu, Changjin","2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2<i>H</i>-1,2-benzothiazin-4-yl]acetic acid","Acta Crystallographica Section E","2012","68","5","o1364","","10.1107/S1600536812015942","","","0.71073","MoKα","","0.045","0.0394","","","0.103","0.1084","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234749","20.3651","0.0004","7.43162","0.00016","19.4049","0.0004","90","","91.0792","0.0018","90","","2936.33","0.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-8-cyclopentyloxy-7-methoxy-2<i>H</i>-chromen-2-one monohydrate","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C120 H152 N8 O40 -","8","2","PV2524","Ding, Man-Hua; Jiang, Xiao-Ping","4-Amino-8-cyclopentyloxy-7-methoxy-2<i>H</i>-chromen-2-one monohydrate","Acta Crystallographica Section E","2012","68","5","o1397","","10.1107/S160053681201450X","","","1.54184","CuKα","","0.0582","0.0539","","","0.1894","0.1931","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234750","6.8289","0.0006","7.0433","0.0006","26.618","0.003","90","","92.335","0.004","90","","1279.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>E</i>,6<i>R</i>,7a<i>R</i>)-1,6-Dihydroxy-2- (4-nitrobenzylidene)-2,3,5,6,7,7a-hexahydro-1<i>H</i>-pyrrolizin-3-one","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","2","PV2525","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1<i>S</i>,2<i>E</i>,6<i>R</i>,7a<i>R</i>)-1,6-Dihydroxy-2-(4-nitrobenzylidene)-2,3,5,6,7,7a-hexahydro-1<i>H</i>-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","5","o1570","o1571","10.1107/S1600536812018235","","","1.54178","CuKα","","0.0255","0.025","","","0.0664","0.0673","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234751","6.5007","0.0003","13.6783","0.0007","13.8382","0.0007","90","","90","","90","","1230.47","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>E</i>,6<i>R</i>,7a<i>R</i>)-2-Benzylidene-1,6-dihydroxy- 2,3,5,6,7,7a-hexahydro-1<i>H</i>-pyrrolizin-3-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","PV2526","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1<i>S</i>,2<i>E</i>,6<i>R</i>,7a<i>R</i>)-2-Benzylidene-1,6-dihydroxy-2,3,5,6,7,7a-hexahydro-1<i>H</i>-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","5","o1572","","10.1107/S1600536812018223","","","1.54178","CuKα","","0.037","0.0368","","","0.0971","0.0976","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234752","9.5352","0.0003","14.8809","0.0004","15.08","0.0004","61.65","0.001","82.153","0.002","71.344","0.002","1783.86","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxylate","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","2","PV2527","Jagadeesan, G.; Sethusankar, K.; Selvakumar, P.; Thennarasu, S.; Mandal, A. B.","Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxylate","Acta Crystallographica Section E","2012","68","5","o1525","o1526","10.1107/S1600536812017084","","","0.71073","MoKα","","0.0867","0.0517","","","0.1583","0.1808","","","","","","1.154","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234753","9.8709","0.0005","6.6606","0.0003","18.6128","0.0009","90","","105.249","0.001","90","","1180.63","0.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2-Methoxybenzylidene)amino]phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","PV2528","Aslam, M.; Anis, I.; Afza, N.; Hussain, M. T.; Yousuf, S.","2-[(2-Methoxybenzylidene)amino]phenol","Acta Crystallographica Section E","2012","68","5","o1447","","10.1107/S1600536812016224","","","0.71073","MoKα","","0.0541","0.0388","","","0.0908","0.0998","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234754","11.515","0.002","7.3687","0.0016","20.049","0.004","90","","90.96","0.004","90","","1700.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4- tetrahydropyrimidine-5-carboxylate","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","PV2529","Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2012","68","5","o1555","","10.1107/S1600536812017679","","","0.71073","MoKα","","0.0914","0.0626","","","0.1655","0.2036","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234755","8.3747","0.0017","13.772","0.003","12.153","0.002","90","","93.89","0.03","90","","1398.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II)","","- C8 H15 Cd Cl4 N3 -","- C8 H15 Cd Cl4 N3 -","- C32 H60 Cd4 Cl16 N12 -","4","1","PV2531","Zhang, Yi; Zhu, Bo Han","1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II)","Acta Crystallographica Section E","2012","68","5","m687","","10.1107/S1600536812017801","","","0.71073","MoKα","","0.0304","0.0261","","","0.0572","0.0586","","","","","","1.149","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234756","20.5744","0.0018","14.8742","0.0013","14.1594","0.0012","90","","109.123","0.001","90","","4094.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1,10-phenanthrolin-1-ium) hexacyanidoferrate(III) ethanol monosolvate trihydrate","","- C44 H39 Fe N12 O4 -","- C44 H39 Fe N12 O4 -","- C176 H156 Fe4 N48 O16 -","4","1","PV2532","Liu, Xiao-Qing; Yu, Deng-Yong; Yuan, Ai-Hua","Tris(1,10-phenanthrolin-1-ium) hexacyanidoferrate(III) ethanol monosolvate trihydrate","Acta Crystallographica Section E","2012","68","5","m701","","10.1107/S1600536812017990","","","0.71073","MoKα","","0.0799","0.0417","","","0.0965","0.1151","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234757","4.9969","0.0015","14.498","0.004","16.109","0.005","90","","90","","90","","1167","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-aminium chloride","","- C10 H14 Cl N O4 -","- C10 H14 Cl N O4 -","- C40 H56 Cl4 N4 O16 -","4","1","PV2536","Hou, Ze-Feng; Feng, Juan; Liu, Jing-Tian; Zhen, Xiao-Li; han, Jian-Rong han","3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-aminium chloride","Acta Crystallographica Section E","2012","68","5","o1516","","10.1107/S160053681201728X","","","0.71073","MoKα","","0.0357","0.0266","","","0.0584","0.0605","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234758","23.081","0.003","23.081","0.003","8.969","0.0018","90","","90","","120","","4137.9","1.1","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[[tri-μ~3~-hydroxido-tris(μ~4~-pyridine-2,5- dicarboxylato)trineodymium(III)] monohydrate]","","- C21 H14 N3 Nd3 O16 -","- C21 H12 N3 Nd3 O16 -","- C126 H72 N18 Nd18 O96 -","6","0.333333","QK2031","Zhang, Qing; Wang, Xing; Wang, Shen-Tang; Liu, Chun-Bo; Che, Guang-Bo","Poly[[tri-μ~3~-hydroxido-tris(μ~4~-pyridine-2,5-dicarboxylato)trineodymium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","5","m541","m542","10.1107/S160053681201286X","","","0.71073","MoKα","","0.0216","0.0188","","","0.0419","0.0425","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234759","9.4988","0.0019","6.0803","0.0012","12.109","0.002","90","","95.21","0.03","90","","696.5","0.2","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Hydroxyanilinium 3,5-dinitrobenzoate","","- C13 H11 N3 O7 -","- C13 H11 N3 O7 -","- C26 H22 N6 O14 -","2","1","QK2032","Zhao, Qun","2-Hydroxyanilinium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2012","68","5","o1535","","10.1107/S1600536812014973","","","0.71073","MoKα","","0.1144","0.0835","","","0.1998","0.2176","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234760","30.569","0.003","5.1845","0.0003","12.5191","0.0011","90","","112.408","0.007","90","","1834.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>,<i>E</i>)-<i>N</i>'-{4-[(2-Benzoylhydrazin-1- ylidene)methyl]benzylidene}benzohydrazide","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","QM2059","Karimian, Ramin; Hosseini-Monfared, Hassan; Bikas, Rahman; Arslan, N. Burcu; Kazak, Canan; Koroglu, Ahmet","(<i>E</i>,<i>E</i>)-<i>N</i>'-{4-[(2-Benzoylhydrazin-1-ylidene)methyl]benzylidene}benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1433","","10.1107/S1600536812014687","","","0.71073","MoKα","","0.1305","0.051","","","0.0636","0.0779","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234761","15.286","0.003","9.7849","0.0018","11.597","0.002","90","","107.433","0.003","90","","1654.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","biscarbamoyldisulfane","Bis(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)disulfane","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C64 H64 N8 O8 S8 -","4","0.5","QM2060","Schroll, Alayne L.; Pink, Maren; Barany, George","Bis(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)disulfane","Acta Crystallographica Section E","2012","68","5","o1550","","10.1107/S1600536812016030","","","0.71073","MoKα","","0.0504","0.0374","","","0.1009","0.1096","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234762","8.018","0.002","11.156","0.002","14.389","0.002","90","","91.773","0.002","90","","1286.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","QM2061","Hou, Jin-Long","4-Hydroxy-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1352","","10.1107/S1600536812014778","","","0.71073","MoKα","","0.0438","0.0348","","","0.0947","0.1076","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234763","6.9826","0.0003","10.0462","0.0005","11.8387","0.0007","102.998","0.005","99.037","0.005","104.367","0.004","763.69","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Tizoxanide pyridine monosolvate","2-Hydroxy-<i>N</i>-(5-nitro-1,3-thiazol-2-yl)benzamide pyridine monosolvate","","- C15 H12 N4 O4 S -","- C15 H12 N4 O4 S -","- C30 H24 N8 O8 S2 -","2","1","QM2062","Zheng, Huaqin; Deng, Hui; Chen, Yunyun; Li, Ding","Tizoxanide pyridine monosolvate","Acta Crystallographica Section E","2012","68","5","o1453","o1454","10.1107/S1600536812016133","","","1.5418","CuKα","","0.0296","0.0282","","","0.0737","0.0749","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234764","9.6344","0.0004","11.1759","0.0006","13.4619","0.0008","80.324","0.005","87.103","0.004","76.36","0.004","1388.48","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-{(<i>E</i>)-[4-(4-Methoxyphenyl)butan-2-ylidene]amino}-3-methylthiourea","","- C13 H19 N3 O S -","- C13 H19 N3 O S -","- C52 H76 N12 O4 S4 -","4","2","QM2063","Tan, Ming-Yueh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","1-{(<i>E</i>)-[4-(4-Methoxyphenyl)butan-2-ylidene]amino}-3-methylthiourea","Acta Crystallographica Section E","2012","68","5","o1461","o1462","10.1107/S160053681201611X","","","1.5418","CuKα","","0.0382","0.0365","","","0.0992","0.1006","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234765","11.3561","0.0016","8.9033","0.0013","11.5045","0.0016","90","","91.411","0.013","90","","1162.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(2-hydroxybenzylidene)-2-methyldithiocarbazate","","- C10 H12 N2 O S2 -","- C10 H12 N2 O S2 -","- C40 H48 N8 O4 S8 -","4","1","QM2064","Hazari, S. K. S.; Suarez, Sebastian; Ganguly, Biplab; Doctorovich, Fabio; G. Roy, Tapashi","Methyl 3-(2-hydroxybenzylidene)-2-methyldithiocarbazate","Acta Crystallographica Section E","2012","68","5","o1533","","10.1107/S160053681201731X","","","0.71073","MoKα","","0.079","0.0533","","","","0.1713","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234766","7.8168","0.0003","9.9342","0.0003","18.5202","0.0007","82.32","0.003","83.459","0.003","87.784","0.003","1415.58","0.09","175","","175","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13- benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate","","- C44 H70 Cl6 N10 Na2 O12 -","- C44 H70 Cl6 N10 Na2 O12 -","- C44 H70 Cl6 N10 Na2 O12 -","1","0.5","RK2333","Gilles, Arnaud; Barboiu, Mihail; Legrand, Yves-Marie; van der Lee, Arie","Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate","Acta Crystallographica Section E","2012","68","5","m609","m610","10.1107/S1600536812015590","","","0.71073","MoKα","","0.0537","0.0388","","0.1141","0.1018","0.1141","","","","","","0.9099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234767","18.4179","0.0009","5.7697","0.0004","12.4403","0.0006","90","","90","","90","","1321.98","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-succinimidoanthracene","1-(Anthracen-1-yl)pyrrolidine-2,5-dione","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","RK2341","Khorasani, Sanaz; Fernandes, Manuel A.","1-(Anthracen-1-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section E","2012","68","5","o1503","","10.1107/S160053681201536X","","","0.71073","MoKα","","0.062","0.0409","","","0.0822","0.0882","","","","","","0.948","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234768","12.8172","0.0005","9.9215","0.0004","16.7155","0.0005","90","0.002","110.511","0.002","90","0.002","1990.89","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2-(2,5-Dichlorobenzyl)-4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin- 3-yl](phenyl)methanone","","- C22 H15 Cl2 N O4 S -","- C22 H15 Cl2 N O4 S -","- C88 H60 Cl8 N4 O16 S4 -","4","1","RK2344","Sattar, Nazia; Siddiqui, Hamid Latif; Ahmad, Matloob; Akram, Muhammad; Parvez, Masood","[2-(2,5-Dichlorobenzyl)-4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl](phenyl)methanone","Acta Crystallographica Section E","2012","68","5","o1359","","10.1107/S160053681201481X","","","0.71073","MoKα","","0.0792","0.0567","","","0.1066","0.118","","","","","","1.11","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234769","9.7569","0.0011","12.2303","0.001","10.4181","0.001","90","","113.72","0.007","90","","1138.2","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,5-Dimethoxybenzyl)-1<i>H</i>-pyrrole","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","RK2345","Li, Yueqing; Zhang, Xu; Huo, Shiyong; Huang, Wei; Zhao, Weijie","1-(3,5-Dimethoxybenzyl)-1<i>H</i>-pyrrole","Acta Crystallographica Section E","2012","68","5","o1372","","10.1107/S1600536812015024","","","0.71073","MoKα","","0.0549","0.0408","","","0.1294","0.1402","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234770","6.3202","0.0002","13.794","0.0004","15.8582","0.0006","90","","100.961","0.004","90","","1357.31","0.08","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-<i>N</i>-(3,4-dimethoxybenzyl)pyridin-2-amine","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","RK2346","Li, Jie; Lu, Lin-Yan; Shen, Wang-Xing; Shi, Jian-You","5-Bromo-<i>N</i>-(3,4-dimethoxybenzyl)pyridin-2-amine","Acta Crystallographica Section E","2012","68","5","o1405","","10.1107/S1600536812015796","","","0.7107","MoKα","","0.0354","0.0272","","","0.0561","0.0597","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234771","9.9434","0.0013","5.8472","0.0008","13.6387","0.0018","90","","95.36","0.002","90","","789.5","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-2,3-dihydro-1<i>H</i>-benzimidazole-2-selone","","- C8 H8 N2 Se -","- C8 H8 N2 Se -","- C32 H32 N8 Se4 -","4","1","RK2347","Mammadova, Gunay Z.; Matsulevich, Zhanna V.; Osmanov, Vladimir K.; Borisov, Alexander V.; Khrustalev, Victor N.","1-Methyl-2,3-dihydro-1<i>H</i>-benzimidazole-2-selone","Acta Crystallographica Section E","2012","68","5","o1381","","10.1107/S1600536812013700","","","0.71073","MoKα","","0.0355","0.0274","","","0.0649","0.0675","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234772","7.6277","0.0003","16.2167","0.0007","11.799","0.0005","90","","92.419","0.002","90","","1458.19","0.11","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Methyl 2-benzyl-3-<i>o</i>-tolylacrylate","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","RK2348","Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","(<i>E</i>)-Methyl 2-benzyl-3-<i>o</i>-tolylacrylate","Acta Crystallographica Section E","2012","68","5","o1273","","10.1107/S1600536812013438","","","0.71073","MoKα","","0.0793","0.0454","","","0.1093","0.1268","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234773","11.1917","0.0008","11.7778","0.0009","12.1511","0.0009","93.572","0.003","115.911","0.003","114.134","0.003","1256.82","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (<i>E</i>)-3-[1'-ethyl-2-oxo-4'-(phenylsulfonyl)-2<i>H</i>- spiro[acenaphthylene-1,2'-pyrrolidine]-3'-yl]acrylate","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C56 H54 N2 O10 S2 -","2","1","RK2349","Sankar, Ulaganathan; Uma, R.; Sundaramoorthy, S.; Velmurugan, D.","Ethyl (<i>E</i>)-3-[1'-ethyl-2-oxo-4'-(phenylsulfonyl)-2<i>H</i>-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-yl]acrylate","Acta Crystallographica Section E","2012","68","5","o1401","","10.1107/S1600536812016042","","","0.71073","MoKα","","0.0548","0.0428","","","0.117","0.1273","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234774","8.939","0.0005","9.2187","0.0005","11.1486","0.0006","72.398","0.001","69.318","0.001","87.258","0.001","817.47","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dibromidopalladium(II)","","- C18 H12 Br2 N2 Pd -","- C18 H12 Br2 N2 Pd -","- C36 H24 Br4 N4 Pd2 -","2","1","RK2351","Ha, Kwang","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dibromidopalladium(II)","Acta Crystallographica Section E","2012","68","5","m618","","10.1107/S1600536812015425","","","0.71073","MoKα","","0.0395","0.0283","","","0.0569","0.0698","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234775","16.005","0.003","18.953","0.004","14.811","0.003","90","","120.08","0.03","90","","3887.7","1.8","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(4-Chlorophenyl)-4-methoxy-3-(propanamido)benzamide cyclohexane hemisolvate","","- C20 H23 Cl N2 O3 -","- C20 H23 Cl N2 O3 -","- C160 H184 Cl8 N16 O24 -","8","2","RN2093","Zhong, Zhaojin; Li, Zhuorong; Gong, Ningbo; Li, Yanping","<i>N</i>-(4-Chlorophenyl)-4-methoxy-3-(propanamido)benzamide cyclohexane hemisolvate","Acta Crystallographica Section E","2012","68","5","o1480","","10.1107/S1600536812016480","","","1.54178","CuKα","","0.0457","0.0439","","","0.1333","0.1385","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234776","5.6402","0.0005","5.7745","0.0005","13.6223","0.0012","90","","97.371","0.001","90","","440","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,10-dithiatricyclo[7.3.0.0^3,7^]dodeca-1(9),3(7),5,11-tetraene-2,8-dione","Benzo[1,2-<i>b</i>:4,5-<i>b</i>']dithiophene-4,8-dione","","- C10 H4 O2 S2 -","- C10 H4 O2 S2 -","- C20 H8 O4 S4 -","2","0.5","RN2094","Ramirez, Amanda L.; Chan, Benny C.; de Lill, Daniel T.","Benzo[1,2-<i>b</i>:4,5-<i>b</i>']dithiophene-4,8-dione","Acta Crystallographica Section E","2012","68","5","o1428","","10.1107/S1600536812015826","","","0.71073","MoKα","","0.0802","0.0683","","","0.2274","0.2375","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234777","7.0054","0.0014","11.699","0.002","9.2947","0.0019","90","","104.15","0.03","90","","738.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Fluoro-1<i>H</i>-indole-3-carboxylic acid","","- C9 H6 F N O2 -","- C9 H6 F N O2 -","- C36 H24 F4 N4 O8 -","4","1","RN2099","Lou, Ming; Luo, Yang-Hui","6-Fluoro-1<i>H</i>-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","5","o1580","","10.1107/S1600536812016935","","","0.71073","MoKα","","0.0514","0.0427","","","0.1096","0.115","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234778","7.4009","0.0003","22.1125","0.001","11.3681","0.0005","90","","103.561","0.001","90","","1808.55","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-Methyl 2-({2-ethoxy-6-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","RN2100","Govindan, E.; Ganesh, G.; Srinivasan, J.; Bakthadoss, M.; SubbiahPandi, A.","(<i>E</i>)-Methyl 2-({2-ethoxy-6-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate","Acta Crystallographica Section E","2012","68","5","o1373","","10.1107/S1600536812014596","","","0.71073","MoKα","","0.0764","0.0527","","","0.1464","0.167","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234779","18.274","0.002","5.6052","0.0004","16.536","0.002","90","","116.224","0.016","90","","1519.4","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Ammonium butyric acid nitrate","1-carboxypropanaminium nitrate","","- C4 H10 N2 O5 -","- C4 H10 N2 O5 -","- C32 H80 N16 O40 -","8","2","RU2030","Messai, Amel; Benali-Cherif, Rim; Jeanneau, Erwann; Benali-Cherif, Nourredine","Hydrogen bonding in 1-carboxypropanaminium nitrate","Acta Crystallographica Section E","2012","68","5","o1307","o1308","10.1107/S1600536812013682","","","1.5418","CuKα","","0.0427","0.0393","","","0.1051","0.1086","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234780","12.641","0.002","16.681","0.003","20.692","0.004","111.514","0.005","107.291","0.006","92.231","0.005","3821.6","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tetrakis(thiocyanato- κ<i>N</i>)chromate(III)] acetonitrile trisolvate monohydrate","","- C74 H51 Cr2 Fe N21 O S8 -","- C74 H51 Cr2 Fe N21 O S8 -","- C148 H102 Cr4 Fe2 N42 O2 S16 -","2","1","RU2031","Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Volodymyr N.; Bon, Volodymyr V.","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tetrakis(thiocyanato-κ<i>N</i>)chromate(III)] acetonitrile trisolvate monohydrate","Acta Crystallographica Section E","2012","68","5","m531","m532","10.1107/S1600536812012949","","","0.71073","MoKα","","0.1148","0.0513","","","0.1075","0.1351","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234781","8.649","0.004","13.707","0.007","17.775","0.007","90","","119.051","0.017","90","","1842.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ<i>O</i>)bis(pyridine-2-aldoxime- κ^2^<i>N</i>,<i>N</i>')nickel(II)","","- C16 H18 N4 Ni O6 -","- C16 H18 N4 Ni O6 -","- C64 H72 N16 Ni4 O24 -","4","1","RU2032","Si, Youtao","Bis(acetato-κ<i>O</i>)bis(pyridine-2-aldoxime-κ^2^<i>N</i>,<i>N</i>')nickel(II)","Acta Crystallographica Section E","2012","68","5","m554","","10.1107/S1600536812014377","","","0.71073","MoKα","","0.0599","0.0442","","","0.1046","0.1134","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234782","9.3628","0.0002","12.3134","0.0002","15.5597","0.0003","90","","105.996","0.001","90","","1724.39","0.06","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2<i>H</i>- 1,2,4-benzothiadiazin-4-yl]acetic acid","","- C16 H12 Cl F3 N2 O4 S -","- C16 H12 Cl F3 N2 O4 S -","- C64 H48 Cl4 F12 N8 O16 S4 -","4","1","RZ2722","Yang, Yanchun; Guo, Yuhua; Zhu, Changjin","2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2<i>H</i>-1,2,4-benzothiadiazin-4-yl]acetic acid","Acta Crystallographica Section E","2012","68","5","o1363","","10.1107/S1600536812014468","","","0.71073","MoKα","","0.0641","0.0473","","","0.1193","0.1307","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234783","7.351","0.002","22.781","0.007","8.559","0.003","90","","109.58","0.004","90","","1350.4","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(3-Bromoanilino)methyl]-1,2-benzothiazol-3(2<i>H</i>)-one","","- C14 H11 Br N2 O S -","- C14 H11 Br N2 O S -","- C56 H44 Br4 N8 O4 S4 -","4","1","RZ2723","Wang, Xiang-Hui; Yang, Jian-Xin; Lin, Qiang; Chen, Jun-Hua","2-[(3-Bromoanilino)methyl]-1,2-benzothiazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1303","","10.1107/S1600536812012263","","","0.71073","MoKα","","0.0498","0.0315","","","0.0639","0.0685","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234784","8.6363","0.0017","9.887","0.002","16.666","0.003","77.15","0.03","84.72","0.03","71.82","0.03","1317.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis[2-(benzyliminomethyl)pyrrol-1-ido- κ^2^<i>N</i>,<i>N</i>']bis(dimethylamido-κ<i>N</i>)titanium(IV)","","- C28 H34 N6 Ti -","- C28 H34 N6 Ti -","- C56 H68 N12 Ti2 -","2","1","RZ2726","Chen, Zhou; Liu, Yonglu; Li, Yahong; Hu, Bin","Bis[2-(benzyliminomethyl)pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>']bis(dimethylamido-κ<i>N</i>)titanium(IV)","Acta Crystallographica Section E","2012","68","5","m573","","10.1107/S1600536812014365","","","0.71073","MoKα","","0.0468","0.0392","","","0.1166","0.121","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234785","24.912","0.011","10.757","0.005","14.925","0.007","90","","91.07","0.03","90","","3999","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium hexafluoridophosphate","","- C18 H19 F6 N2 O P -","- C18 H19 F6 N2 O P -","- C144 H152 F48 N16 O8 P8 -","8","1","RZ2727","Xue, Hua Yu; Wang, Shi Juan","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium hexafluoridophosphate","Acta Crystallographica Section E","2012","68","5","o1382","","10.1107/S160053681201358X","","","0.71073","MoKα","","0.1171","0.0839","","","0.1981","0.2183","","","","","","1.191","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234786","9.5876","0.0019","12.065","0.002","9.843","0.002","90","","103.51","0.03","90","","1107.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(pyridinium) naphthalene-1,5-disulfonate dihydrate","","- C20 H22 N2 O8 S2 -","- C20 H22 N2 O8 S2 -","- C40 H44 N4 O16 S4 -","2","0.5","RZ2728","Wei, Bin","Bis(pyridinium) naphthalene-1,5-disulfonate dihydrate","Acta Crystallographica Section E","2012","68","5","o1489","","10.1107/S1600536812016960","","","0.71073","MoKα","","0.0653","0.0562","","","0.1437","0.1503","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234787","8.8373","0.0002","20.1333","0.0005","13.7129","0.0003","90","","96.243","0.001","90","","2425.38","0.1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[acenaphthylene- 1,2'-pyrrolidine-3',2''-indane]-2,1''(1<i>H</i>)-dione","","- C31 H22 F3 N O2 -","- C31 H22 F3 N O2 -","- C124 H88 F12 N4 O8 -","4","1","RZ2729","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[acenaphthylene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","5","o1296","o1297","10.1107/S1600536812013645","","","0.71073","MoKα","","0.1229","0.0818","","","0.1692","0.1863","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234788","16.434","0.007","11.436","0.005","14.32","0.006","90","","104.31","0.007","90","","2607.8","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoate]","","- C27 H17 Ag F6 N2 O4 -","- C27 H17 Ag F6 N2 O4 -","- C108 H68 Ag4 F24 N8 O16 -","4","1","RZ2731","Jiang, Xiu-Juan","<i>catena</i>-Poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoate]","Acta Crystallographica Section E","2012","68","5","m613","m614","10.1107/S1600536812015322","","","0.71073","MoKα","","0.0487","0.0332","","","0.0729","0.0795","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234789","9.9756","0.0002","18.0181","0.0003","9.8107","0.0002","90","","117.064","0.001","90","","1570.3","0.05","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3,4-Difluorophenyl)-2,2-diphenylacetamide","","- C20 H15 F2 N O -","- C20 H15 F2 N O -","- C80 H60 F8 N4 O4 -","4","1","RZ2732","Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(3,4-Difluorophenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2012","68","5","o1349","o1350","10.1107/S1600536812014675","","","0.71073","MoKα","","0.0697","0.0518","","","0.1198","0.1303","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234790","10.443","0.002","23.239","0.005","14.494","0.005","90","","122.03","0.02","90","","2982","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(2-methylpiperidinium) tetrachloridoferrate dichloride","","- C18 H42 Cl6 Fe N3 -","- C18 H42 Cl6 Fe N3 -","- C72 H168 Cl24 Fe4 N12 -","4","1","RZ2733","Xu, Qian; Cheng, Bao","Tris(2-methylpiperidinium) tetrachloridoferrate dichloride","Acta Crystallographica Section E","2012","68","5","m658","","10.1107/S1600536812017151","","","0.71073","MoKα","","0.1983","0.0769","","","0.1317","0.1704","","","","","","1.026","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234791","12.5133","0.0007","10.3779","0.0005","14.3044","0.0008","90","","106.766","0.003","90","","1778.63","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[5-(Adamantan-1-yl)-4-methyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}- <i>N</i>,<i>N</i>-dimethylethanamine","","- C17 H28 N4 S -","- C17 H28 N4 S -","- C68 H112 N16 S4 -","4","1","RZ2734","El-Emam, Ali A.; Lahsasni, Siham; Asiri, Hanadi H.; Quah, Ching Kheng; Fun, Hoong-Kun","2-{[5-(Adamantan-1-yl)-4-methyl-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}-<i>N</i>,<i>N</i>-dimethylethanamine","Acta Crystallographica Section E","2012","68","5","o1356","","10.1107/S160053681201464X","","","1.54178","CuKα","","0.0705","0.0644","","","0.1795","0.1843","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234792","9.3588","0.0005","11.9452","0.0005","13.3136","0.0007","90","","90","","90","","1488.36","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-<i>N</i>-(Biphenyl-4-yl)-<i>tert</i>-butanesulfinamide","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","RZ2735","Zhang, Binbin; Wang, Yan; Sun, Xiaofei; Wang, Wenguo; Zeng, Qingle","(<i>R</i>)-<i>N</i>-(Biphenyl-4-yl)-<i>tert</i>-butanesulfinamide","Acta Crystallographica Section E","2012","68","5","o1389","","10.1107/S1600536812015127","","","0.7107","MoKα","","0.06","0.047","","","0.088","0.0973","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234793","12.363","0.003","14.796","0.003","16.735","0.003","111.11","0.03","91.19","0.03","109.06","0.03","2665.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(3,3'',5,5''-tetramethyl- [1,1':3',1''-terphenyl]-2'-carboxylato-κ<i>O</i>)iron(II) dichloromethane monosolvate","","- C57 H60 Cl2 Fe N4 O4 -","- C57 H60 Cl2 Fe N4 O4 -","- C114 H120 Cl4 Fe2 N8 O8 -","2","1","RZ2736","Jeon, Yeojin; Sivanesan, Dharmalingam; Yoon, Sungho","Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(3,3'',5,5''-tetramethyl-[1,1':3',1''-terphenyl]-2'-carboxylato-κ<i>O</i>)iron(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","m631","m632","10.1107/S1600536812015553","","","0.71073","MoKα","","0.0617","0.053","","","0.1436","0.1492","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234794","10.889","0.002","5.4502","0.001","30.532","0.005","90","","99.202","0.004","90","","1788.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(Biphenyl-4-ylcarbonyl)-3-(2-chloro-4-nitrophenyl)thiourea","","- C20 H14 Cl N3 O3 S -","- C20 H14 Cl N3 O3 S -","- C80 H56 Cl4 N12 O12 S4 -","4","1","RZ2737","Yusof, M. Sukeri M.; Yamin, Bohari M.; Ngah, Nurziana","1-(Biphenyl-4-ylcarbonyl)-3-(2-chloro-4-nitrophenyl)thiourea","Acta Crystallographica Section E","2012","68","5","o1485","","10.1107/S1600536812016686","","","0.71073","MoKα","","0.0596","0.0492","","","0.1305","0.1366","","","","","","1.16","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234795","9.1046","0.0004","19.8837","0.0008","12.0856","0.0005","90","","123.281","0.003","90","","1829.06","0.15","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydro-9<i>H</i>-β-carbolin-2-ium acetate","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","RZ2738","Goh, Teik Beng; Mordi, Mohd Nizam; Mansor, Sharif Mahsufi; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","6-Methoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydro-9<i>H</i>-β-carbolin-2-ium acetate","Acta Crystallographica Section E","2012","68","5","o1483","","10.1107/S1600536812016753","","","0.71073","MoKα","","0.0886","0.0555","","","0.1187","0.1342","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234796","7.3806","0.0011","12.7836","0.0019","13.619","0.002","90","","90","","90","","1285","0.3","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","Poly[[diaquahexa-μ-cyanido-cerium(III)ferrate(III)] dihydrate]","","- C6 H8 Ce Fe N6 O4 -","- C6 H8 Ce Fe N6 O4 -","- C24 H32 Ce4 Fe4 N24 O16 -","4","0.25","RZ2741","Yu, Deng-Yong; Liu, Xiao-Qing; Yuan, Ai-Hua","Poly[[diaquahexa-μ-cyanido-cerium(III)ferrate(III)] dihydrate]","Acta Crystallographica Section E","2012","68","5","i39","","10.1107/S1600536812016911","","","0.71073","MoKα","","0.0397","0.0374","","","0.0973","0.0983","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234797","8.1871","0.0016","11.352","0.002","11.378","0.002","84.53","0.03","73.15","0.03","74.02","0.03","972.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)calcium μ~6~-oxido-dodecakis-μ~2~-oxido-hexaoxidohexatungstate(VI)","","- C12 H36 Ca O25 S6 W6 -","- C12 H36 Ca O25 S6 W6 -","- C12 H36 Ca O25 S6 W6 -","1","0.5","RZ2743","Zhang, Jinfang","Hexakis(dimethyl sulfoxide-κ<i>O</i>)calcium μ~6~-oxido-dodecakis-μ~2~-oxido-hexaoxidohexatungstate(VI)","Acta Crystallographica Section E","2012","68","5","m702","","10.1107/S1600536812018338","","","0.71073","MoKα","","0.0264","0.0225","","","0.0456","0.0465","","","","","","0.98","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234798","7.7899","0.0004","10.1254","0.0005","13.0136","0.0007","90","","91.156","0.002","90","","1026.25","0.09","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","All-cis-4,6-diamino-cyclohexane-1,2,3-triol dihydrochloride","1,3-diammonio-1,2,3-trideoxy-<i>cis</i>-inositol dichloride","","- C6 H16 Cl2 N2 O3 -","- C6 H16 Cl2 N2 O3 -","- C24 H64 Cl8 N8 O12 -","4","2","SJ5213","Neis, Christian; Merten, Günter J.; Altenhofer, Philipp; Hegetschweiler, Kaspar","Redetermination of 1,3-diammonio-1,2,3-trideoxy-<i>cis</i>-inositol dichloride","Acta Crystallographica Section E","2012","68","5","o1411","o1412","10.1107/S1600536812012366","","","0.71073","MoKα","","0.0176","0.0174","","","0.0471","0.0473","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234799","5.7993","0.0008","13.934","0.002","11.2205","0.0016","90","","95.326","0.002","90","","902.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Creatininium 2-chloroacetate","2-amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium monochloroacetate","","- C6 H10 Cl N3 O3 -","- C6 H10 Cl N3 O3 -","- C24 H40 Cl4 N12 O12 -","4","1","SJ5215","Ali, A. Jahubar; Athimoolam, S.; Bahadur, S. Asath","Creatininium 2-chloroacetate","Acta Crystallographica Section E","2012","68","5","o1285","o1286","10.1107/S1600536812012068","","","0.71073","MoKα","","0.0429","0.0405","","","0.1132","0.1167","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234800","12.556","0.003","14.8","0.003","6.876","0.0014","90","","103.32","0.03","90","","1243.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chloro-2-fluoro-5-nitrophenyl)-4-difluoromethyl-3-methyl-1<i>H</i>- 1,2,4-triazol-5(4<i>H</i>)-one","","- C10 H6 Cl F3 N4 O3 -","- C10 H6 Cl F3 N4 O3 -","- C40 H24 Cl4 F12 N16 O12 -","4","1","SJ5217","Yang, Li; Liu, Jun","1-(4-Chloro-2-fluoro-5-nitrophenyl)-4-difluoromethyl-3-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1374","","10.1107/S1600536812013013","","","0.71073","MoKα","","0.0987","0.0677","","","0.1671","0.1847","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234801","9.1439","0.0002","18.7633","0.0004","13.271","0.0003","90","","109.899","0.001","90","","2140.96","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido[1-phenyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver(I)","","- C24 H24 Ag Cl N2 -","- C24 H24 Ag Cl N2 -","- C96 H96 Ag4 Cl4 N8 -","4","1","SJ5223","Akkurt, Mehmet; Akkoç, Senem; Gök, Yetkin; Dağdemir, Yılmaz; Tahir, Muhammad Nawaz","Chlorido[1-phenyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver(I)","Acta Crystallographica Section E","2012","68","5","m590","m591","10.1107/S1600536812012998","","","0.71073","MoKα","","0.0764","0.0362","","","0.0675","0.0798","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234802","10.931","0.0016","13.668","0.002","15.541","0.002","69.283","0.002","88.854","0.002","77.476","0.002","2116","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)bis(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)","","- C48 H38 F4 Mn N4 O4 -","- C48 H38 F4 Mn N4 O4 -","- C96 H76 F8 Mn2 N8 O8 -","2","1","SJ5226","Dharmalingam, Sivanesan; Jeon, Yeojin; Yoon, Sungho","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)","Acta Crystallographica Section E","2012","68","5","m582","m583","10.1107/S1600536812014201","","","0.71073","MoKα","","0.0528","0.0469","","","0.1121","0.1175","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234803","13.4836","0.0006","21.27","0.001","16.1025","0.0006","90","","122.295","0.003","90","","3903.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-1,6-Bis(diphenyphosphanyl)hexane-1:2κ^2^<i>P</i>:<i>P</i>']decacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)","","- C40 H32 O10 P2 Ru3 -","- C40 H32 O10 P2 Ru3 -","- C160 H128 O40 P8 Ru12 -","4","1","SJ5228","bin Shawkataly, Omar; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-1,6-Bis(diphenyphosphanyl)hexane-1:2κ^2^<i>P</i>:<i>P</i>']decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2012","68","5","m629","m630","10.1107/S1600536812014614","","","0.71073","MoKα","","0.0226","0.0188","","","0.0438","0.0458","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234804","6.491","0.003","12.351","0.002","22.803","0.003","90.707","0.002","96.201","0.002","90.66","0.002","1817.1","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","dichlorido(2-{[2-(isopropylammonio)ethyl]iminomethyl- κ<i>N</i>}-5-methoxyphenolato-κ<i>O</i>^1^)zinc","","- C13 H20 Cl2 N2 O2 Zn -","- C13 H20 Cl2 N2 O2 Zn -","- C52 H80 Cl8 N8 O8 Zn4 -","4","2","SJ5230","Pei, Ai-Tian","A triclinic polymorph of dichlorido(2-{[2-(isopropylammonio)ethyl]iminomethyl-κ<i>N</i>}-5-methoxyphenolato-κ<i>O</i>^1^)zinc","Acta Crystallographica Section E","2012","68","5","m587","","10.1107/S1600536812014341","","","0.71073","MoKα","","0.0782","0.0547","","","0.1622","0.1805","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234805","9.769","0.002","13.041","0.003","13.251","0.003","75.558","0.002","78.745","0.002","76.527","0.002","1572.9","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-2<i>H</i>-1,3-benzodioxole- 5-carbohydrazide","","- C15 H10 Br Cl N2 O4 -","- C15 H10 Br Cl N2 O4 -","- C60 H40 Br4 Cl4 N8 O16 -","4","2","SJ5231","Wei, Jiao; Ban, Hong-Yan; Sun, Xiao-Zhi","<i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-2<i>H</i>-1,3-benzodioxole-5-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1336","o1337","10.1107/S160053681201433X","","","0.71073","MoKα","","0.0786","0.0482","","","0.1197","0.1372","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234806","7.539","0.0015","8.164","0.0016","13.132","0.003","94.75","0.03","96.48","0.03","116.46","0.03","710.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2-nitrophenol","","- C6 H4 Cl N O3 -","- C6 H4 Cl N O3 -","- C24 H16 Cl4 N4 O12 -","4","2","SJ5233","Ren, Dong-mei","5-Chloro-2-nitrophenol","Acta Crystallographica Section E","2012","68","5","o1365","","10.1107/S1600536812014638","","","0.71073","MoKα","","0.0834","0.058","","","0.1524","0.1712","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234807","12.619","0.0002","13.15","0.0003","14.899","0.0004","75.9037","0.0011","67.7646","0.0011","74.5815","0.0019","2177.63","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5,11,17,23,29,35-Hexa-<i>tert</i>-butyl-37,38,39,40,41,42- hexakis(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate","","- C94 H126 N2 O18 -","- C94 H126 N2 O18 -","- C94 H126 N2 O18 -","1","0.5","SU2398","Pojarová, Michaela; Dušek, Michal; Budka, Jan; Císařová, Ivana; Makrlík, Emanuel","5,11,17,23,29,35-Hexa-<i>tert</i>-butyl-37,38,39,40,41,42-hexakis(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate","Acta Crystallographica Section E","2012","68","5","o1418","o1419","10.1107/S1600536812015735","","","0.71073","MoKα","","0.0871","0.0614","","","0.1644","0.1828","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234808","10.765","0.002","12.577","0.003","13.878","0.003","76.91","0.03","88.43","0.03","83.89","0.03","1819.7","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Carbonylbis(triphenylphosphane-κ<i>P</i>)(η^2^-1-vinylpyrrolidin-2-one- κ<i>O</i>)ruthenium(0)","","- C43 H39 N O2 P2 Ru -","- C43 H39 N O2 P2 Ru -","- C86 H78 N2 O4 P4 Ru2 -","2","1","SU2399","Ma, Si Jia; Niu, Po","Carbonylbis(triphenylphosphane-κ<i>P</i>)(η^2^-1-vinylpyrrolidin-2-one-κ<i>O</i>)ruthenium(0)","Acta Crystallographica Section E","2012","68","5","m608","","10.1107/S1600536812014766","","","0.71073","MoKα","","0.0276","0.0247","","","0.0694","0.0841","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234809","35.38","0.0012","10.452","0.001","18.507","0.0015","90","","111.463","0.002","90","","6369.2","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)- 4-(dimethylamino)benzohydrazide","","- C16 H16 Br N3 O2 -","- C16 H16 Br N3 O2 -","- C256 H256 Br16 N48 O32 -","16","2","SU2400","Wei, En-Yu","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1304","","10.1107/S1600536812013785","","","0.71073","MoKα","","0.2294","0.0652","","","0.1299","0.1969","","","","","","0.936","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234810","10.963","0.003","16.328","0.004","17.797","0.005","90","","90","","90","","3185.7","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2λ^5^- dioxaphospholan-2-yloxy)butan-2-olato- κ^2^<i>O</i>,<i>P</i>]oxido(triphenylphosphane-κ<i>P</i>)rhenium(V)","","- C30 H39 Cl2 O5 P2 Re -","- C30 H39 Cl2 O5 P2 Re -","- C120 H156 Cl8 O20 P8 Re4 -","4","1","SU2403","Skarżyńska, Anna; Siczek, Miłosz; Gniewek, Andrzej","<i>cis</i>-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2λ^5^-dioxaphospholan-2-yloxy)butan-2-olato-κ^2^<i>O</i>,<i>P</i>]oxido(triphenylphosphane-κ<i>P</i>)rhenium(V)","Acta Crystallographica Section E","2012","68","5","m605","m606","10.1107/S1600536812015565","","","0.71073","MoKα","","0.0401","0.0262","","","0.0438","0.0455","","","","","","0.874","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234811","17.8216","0.0013","8.2702","0.0006","11.9282","0.0008","90","","91.001","0.003","90","","1757.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Butyl 4-(4-methylbenzenesulfonamido)benzoate","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","SU2404","Mustafa, Ghulam; Akkurt, Mehmet; Dağdemir, Yılmaz; Khan, Islam Ullah","Butyl 4-(4-methylbenzenesulfonamido)benzoate","Acta Crystallographica Section E","2012","68","5","o1541","","10.1107/S1600536812015413","","","0.71073","MoKα","","0.1064","0.0718","","","0.1948","0.2182","","","","","","1.046","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2234812","7.6177","0.0003","19.2728","0.0008","16.348","0.0007","90","","99.991","0.001","90","","2363.72","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-6-[1-(3-ethoxy-2-hydroxybenzyl)-2,3-dihydro-1<i>H</i>- benzimidazol-2-yl]phenol acetonitrile monosolvate","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C104 H108 N12 O16 -","4","1","SU2405","Ha, Kwang","2-Ethoxy-6-[1-(3-ethoxy-2-hydroxybenzyl)-2,3-dihydro-1<i>H</i>-benzimidazol-2-yl]phenol acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","5","o1398","","10.1107/S1600536812015449","","","0.71073","MoKα","","0.125","0.0489","","","0.0974","0.129","","","","","","0.956","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234813","11.8322","0.0003","6.0853","0.0001","15.857","0.0003","90","","101.864","0.002","90","","1117.35","0.04","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","SU2406","Ye, Jia; Liu, Ya-Nan; Cheng, Yu","Methyl 5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate","Acta Crystallographica Section E","2012","68","5","o1537","","10.1107/S1600536812017576","","","1.54184","CuKα","","0.0453","0.0417","","","0.0943","0.0968","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234814","9.3091","0.0006","10.2687","0.0006","11.8353","0.0007","66.299","0.002","79.891","0.002","88.122","0.002","1018.96","0.11","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","(Acetato-κ<i>O</i>)(2-bromo-6-{[3-(dimethylazaniumyl)propylimino- κ<i>N</i>]methyl}phenolato-κ<i>O</i>)(thiocyanato-κ<i>N</i>)zinc","","- C15 H20 Br N3 O3 S Zn -","- C15 H20 Br N3 O3 S Zn -","- C30 H40 Br2 N6 O6 S2 Zn2 -","2","1","SU2407","Han, Cheng-Li","(Acetato-κ<i>O</i>)(2-bromo-6-{[3-(dimethylazaniumyl)propylimino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)(thiocyanato-κ<i>N</i>)zinc","Acta Crystallographica Section E","2012","68","5","m677","","10.1107/S1600536812017564","","","0.71073","MoKα","","0.0878","0.0724","","","0.1827","0.2009","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234815","14.596","0.002","6.2782","0.001","7.3018","0.0012","90","","90","","90","","669.11","0.18","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Chloro-5-nitropyridin-4-amine","","- C5 H4 Cl N3 O2 -","- C5 H4 Cl N3 O2 -","- C20 H16 Cl4 N12 O8 -","4","0.5","SU2408","He, Jian-Ling","2-Chloro-5-nitropyridin-4-amine","Acta Crystallographica Section E","2012","68","5","o1540","","10.1107/S1600536812017643","","","0.71073","MoKα","","0.0326","0.0282","","","0.0792","0.0821","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234816","16.9133","0.0006","16.9133","0.0006","8.4451","0.0004","90","","90","","120","","2092.15","0.14","185","2","185","2","","","","","","","","4","P 61","P 61","169","","<i>N</i>-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate","","- C15.33 H21.67 N O -","- C13 H19 N O -","- C78 H114 N6 O6 -","6","1","SU2409","Berger, Matthias; Bats, Jan W.; Auner, Norbert","<i>N</i>-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate","Acta Crystallographica Section E","2012","68","5","o1565","","10.1107/S1600536812017527","","","0.71073","MoKα","","0.075","0.0581","","","0.1191","0.1246","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234817","14.2065","0.0007","6.8651","0.0003","22.4817","0.0011","90","","101.406","0.002","90","","2149.32","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","","- C28 H19 Cl F2 O2 -","- C28 H19 Cl F2 O2 -","- C112 H76 Cl4 F8 O8 -","4","1","SU2410","Samshuddin, S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Betz, Richard; Gerber, Thomas; Hosten, Eric","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1538","o1539","10.1107/S1600536812017692","","","0.71073","MoKα","","0.0933","0.0636","","","0.1291","0.1406","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234818","15.281","0.0018","8.983","0.0008","11.875","0.0013","90","","109.58","0.003","90","","1535.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-<i>tert</i>-Butyl-5-chloro-3<i>H</i>-spiro[1,3-benzothiazole-2,1'- cyclohexane]","","- C16 H22 Cl N S -","- C16 H22 Cl N S -","- C64 H88 Cl4 N4 S4 -","4","1","SU2411","Akkurt, Mehmet; Cihan-Üstündağ, Gökçe; Çapan, Gültaze; Dağdemir, Yılmaz; Tahir, Muhammad Nawaz","4'-<i>tert</i>-Butyl-5-chloro-3<i>H</i>-spiro[1,3-benzothiazole-2,1'-cyclohexane]","Acta Crystallographica Section E","2012","68","5","o1542","","10.1107/S1600536812017539","","","0.71073","MoKα","","0.1","0.0515","","","0.1065","0.1275","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234819","9.581","0.0004","7.0906","0.0003","22.3504","0.0008","90","","96.92","0.003","90","","1507.31","0.11","128","2","128","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-<i>N</i>-(2-oxidobenzylidene)pyridine-2- carbohydrazidato]bis[chlorido(methanol-κ<i>O</i>)erbium(III)]","","- C28 H26 Cl2 Er2 N6 O6 -","- C28 H26 Cl2 Er2 N6 O6 -","- C56 H52 Cl4 Er4 N12 O12 -","2","0.5","TK5069","Yang, Hua","Bis[μ-<i>N</i>-(2-oxidobenzylidene)pyridine-2-carbohydrazidato]bis[chlorido(methanol-κ<i>O</i>)erbium(III)]","Acta Crystallographica Section E","2012","68","5","m580","m581","10.1107/S1600536812013979","","","0.71073","MoKα","","0.0425","0.0266","","","0.0544","0.0592","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234820","12.4695","0.0012","5.5377","0.0005","17.0557","0.0017","90","","91.19","0.001","90","","1177.48","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua[2-(6-chloropyridin-3-yl)acetato-κ<i>O</i>]sodium]- di-μ-aqua] monohydrate]","","- C7 H13 Cl N Na O6 -","- C7 H13 Cl N Na O6 -","- C28 H52 Cl4 N4 Na4 O24 -","4","1","TK5075","Mi, Yuwei; Sun, Dezhi; Zeng, Suyuan; Yan, Nana","<i>catena</i>-Poly[[[aqua[2-(6-chloropyridin-3-yl)acetato-κ<i>O</i>]sodium]-di-μ-aqua] monohydrate]","Acta Crystallographica Section E","2012","68","5","m584","","10.1107/S1600536812014092","","","0.71073","MoKα","","0.05","0.0322","","","0.0719","0.0843","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234821","9.588","0.003","10.898","0.003","13.06","0.004","103.19","0.004","93.953","0.004","115.622","0.005","1176","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-{[7-(2-Anilinoethoxy)-3,6-dibromonaphthalen-2-yl]oxy}ethyl)aniline","","- C26 H24 Br2 N2 O2 -","- C26 H24 Br2 N2 O2 -","- C52 H48 Br4 N4 O4 -","2","1","TK5077","Zong, Qian-Shou; Wu, Jian-Yi","<i>N</i>-(2-{[7-(2-Anilinoethoxy)-3,6-dibromonaphthalen-2-yl]oxy}ethyl)aniline","Acta Crystallographica Section E","2012","68","5","o1355","","10.1107/S1600536812014808","","","0.71075","MoKα","","0.0685","0.0418","","","0.0821","0.0878","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234822","6.03","0.003","8.971","0.005","14.023","0.008","90.945","0.006","95.205","0.005","97.862","0.005","748","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,4-Bis(4-methoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","TK5079","Huang, Liangzhu; Li, Youqiang; Gao, Dongmei; Du, Zhenting","3,4-Bis(4-methoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section E","2012","68","5","o1328","","10.1107/S1600536812014158","","","0.71073","MoKα","","0.0762","0.0505","","","0.1316","0.1479","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234823","6.6523","0.0005","9.2005","0.0009","11.5294","0.0008","72.533","0.007","78.686","0.006","79.651","0.007","654.51","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","oxyresveratrol","4-[(<i>E</i>)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol dihydrate","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","TK5080","Deng, Hui; He, Xixin; Xu, Yujuan; Hu, Xiaopeng","Oxyresveratrol from Mulberry as a dihydrate","Acta Crystallographica Section E","2012","68","5","o1318","o1319","10.1107/S1600536812014018","","","1.54178","CuKα","","0.0501","0.0423","","","0.1216","0.1411","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234824","12.4027","0.0005","8.3722","0.0004","19.7472","0.0008","90","","107.57","0.002","90","","1954.85","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-<i>trans</i>-5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-phenyl-4,5- dihydrofuran-3-carbonitrile","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C104 H72 N8 O8 -","4","1","TK5086","Suresh, J.; Vishnupriya, R.; Gunasekaran, P.; Perumal, S.; Lakshman, P. L. Nilantha","(±)-<i>trans</i>-5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-phenyl-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2012","68","5","o1576","","10.1107/S1600536812018430","","","0.71073","MoKα","","0.0684","0.0416","","","0.1036","0.1173","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234825","9.3577","0.0002","9.55","0.0003","12.6946","0.0003","94.068","0.002","94.402","0.002","100.162","0.001","1109.24","0.05","90","0.5","90","0.5","101.3","","","","","","","2","P -1","-P 1","2","Dibenzo[a,e]-17,18-bis(1-methylethylidene) pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5,10^]octadeca-2(13),5(10),7,15-tetraene","25,26-Bis(propan-2- ylidene)heptacyclo[20.2.1.1^10,13^.0^2,21^.0^3,8^.0^9,14^.0^15,20^]hexacosa- 2(21),3,5,7,9(14),11,15,17,19,23-decaene","","- C32 H28 -","- C32 H28 -","- C64 H56 -","2","1","TK5087","Cooper, Stefan M.; Nauman, Tamara R. Schaller; Fronczek, Frank R.; Watkins, Steven F.","25,26-Bis(propan-2-ylidene)heptacyclo[20.2.1.1^10,13^.0^2,21^.0^3,8^.0^9,14^.0^15,20^]hexacosa-2(21),3,5,7,9(14),11,15,17,19,23-decaene","Acta Crystallographica Section E","2012","68","5","o1569","","10.1107/S1600536812018211","","","0.71073","MoKα","","0.0766","0.0518","","","0.1268","0.1399","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234826","9.3375","0.0016","9.7194","0.0016","14.214","0.003","90","","90","","90","","1290","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-4-Amino-<i>N'</i>-(5-chloro-2-hydroxybenzylidene)benzohydrazide","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","TK5088","Shi, Zhong-Feng; Li, Jia-Ming","(<i>E</i>)-4-Amino-<i>N</i>'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1546","o1547","10.1107/S160053681201803X","","","0.71073","MoKα","","0.0334","0.0326","","","0.0839","0.0844","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234827","7.46","0.001","12.35","0.001","31.176","0.002","90","","90","","90","","2872.3","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[1-({2-[1-(2-Hydroxy-5- {[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]- 4-{[methyl(phenyl)amino]methyl}phenol","","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","- C136 H152 N16 O8 -","4","0.5","VM2172","Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane","2-[1-({2-[1-(2-Hydroxy-5-{[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]-4-{[methyl(phenyl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","5","o1562","","10.1107/S1600536812017904","","","0.71073","MoKα","","0.1051","0.063","","","0.1814","0.2161","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234828","13.536","0.002","11.3031","0.0017","11.5316","0.0017","90","","90.093","0.002","90","","1764.3","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5,6-Dihydro-1,10-phenanthroline-1,10-diium μ-oxido-bis[pentafluoridotantalate(V)]","","- C12 H12 F10 N2 O Ta2 -","- C12 H12 F10 N2 O Ta2 -","- C48 H48 F40 N8 O4 Ta8 -","4","0.5","WM2602","Meng, Zhao-Hui; Feng, Yu-Quan; Chen, Xin-Feng","5,6-Dihydro-1,10-phenanthroline-1,10-diium μ-oxido-bis[pentafluoridotantalate(V)]","Acta Crystallographica Section E","2012","68","5","m561","","10.1107/S1600536812014742","","","0.71073","MoKα","","0.0317","0.0284","","","0.07","0.0723","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234829","8.019","0.0013","18.489","0.003","14.086","0.002","90","","104.551","0.002","90","","2021.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua[1-(1,10-phenanthrolin-2-yl-κ^2^<i>N</i>,<i>N</i>')-1<i>H</i>-pyrazol-3- amine-κ<i>N</i>^2^](sulfato-κ<i>O</i>)copper(II) methanol monosolvate dihydrate","","- C16 H21 Cu N5 O8 S -","- C16 H21 Cu N5 O8 S -","- C64 H84 Cu4 N20 O32 S4 -","4","1","WM2604","Yuan, Liang; Lian, Liu Shu; Hui, Chi Yan; Xia, Zhao Yan; Min, Shi Jing","Aqua[1-(1,10-phenanthrolin-2-yl-κ^2^<i>N</i>,<i>N</i>')-1<i>H</i>-pyrazol-3-amine-κ<i>N</i>^2^](sulfato-κ<i>O</i>)copper(II) methanol monosolvate dihydrate","Acta Crystallographica Section E","2012","68","5","m558","m559","10.1107/S1600536812014134","","","0.71073","MoKα","","0.0634","0.0471","","","0.1121","0.1185","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234830","25.379","0.002","11.6269","0.0009","20.86","0.003","90","","120.934","0.001","90","","5279.8","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(methanesulfonato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato- κ^4^<i>N</i>,<i>N</i>'',<i>N</i>'',<i>N</i>''')tin(IV) chloroform trisolvate","","- C49 H37 Cl9 N4 O6 S2 Sn -","- C49 H37 Cl9 N4 O6 S2 Sn -","- C196 H148 Cl36 N16 O24 S8 Sn4 -","4","0.5","WM2606","Singh, Atul P.; Kim, Hee-Joon","Bis(methanesulfonato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')tin(IV) chloroform trisolvate","Acta Crystallographica Section E","2012","68","5","m626","","10.1107/S1600536812015875","","","0.71073","MoKα","","0.039","0.0329","","","0.0837","0.0879","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234831","7.4299","0.0001","6.2949","0.0001","8.9057","0.0001","90","","113.936","0.001","90","","380.702","0.009","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Dicobalt lead bis[orthophosphate(V)]hydroxide hydrate","Dicobalt(II) lead(II) hydrogenphosphate(V) phosphate(V) hydroxide monohydrate","","- Co2 H4 O10 P2 Pb -","- Co2 H4 O10 P2 Pb -","- Co4 H8 O20 P4 Pb2 -","2","0.5","WM2609","Assani, Abderrazzak; Saadi, Mohamed; Zriouil, Mohammed; El Ammari, Lahcen","Dicobalt(II) lead(II) hydrogenphosphate(V) phosphate(V) hydroxide monohydrate","Acta Crystallographica Section E","2012","68","5","i30","","10.1107/S1600536812014870","","","0.71073","MoKα","","0.0169","0.0163","","","0.0386","0.0388","","","","","","1.106","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234832","11.7184","0.0011","21.378","0.002","11.1464","0.0011","90","","99.058","0.001","90","","2757.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-{bis[(2- oxidobenzylidene)amino]methyl}phenolato)bis[(tetrahydrofuran)samarium(III)] tetrahydrofuran disolvate","","- C58 H62 N4 O10 Sm2 -","- C58 H62 N4 O10 Sm2 -","- C116 H124 N8 O20 Sm4 -","2","0.5","WM2610","Li, Li; Zhou, Yuan; Yuan, Fugen","Bis(μ-2-{bis[(2-oxidobenzylidene)amino]methyl}phenolato)bis[(tetrahydrofuran)samarium(III)] tetrahydrofuran disolvate","Acta Crystallographica Section E","2012","68","5","m603","m604","10.1107/S1600536812015759","","","0.71073","MoKα","","0.0402","0.0318","","","0.0782","0.0842","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234833","14.8931","0.0008","13.063","0.0005","17.1706","0.0009","90","","112.855","0.006","90","","3078.3","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{<i>S</i>-Benzyl 3-[(6-methylpyridin-2-yl-\ κ<i>N</i>)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}zinc","","- C30 H28 N6 S4 Zn -","- C30 H28 N6 S4 Zn -","- C120 H112 N24 S16 Zn4 -","4","1","WM2612","Ravoof, Thahira B. S. A.; Omar, Siti Aminah; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","{<i>S</i>-Benzyl 3-[(6-methylpyridin-2-yl-κ<i>N</i>)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}zinc","Acta Crystallographica Section E","2012","68","5","m534","m535","10.1107/S1600536812013529","","","0.71073","MoKα","","0.0462","0.0348","","0.0761","0.0697","0.0761","","","","","","0.9982","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234834","6.4438","0.0012","15.572","0.003","10.745","0.002","90","","90.395","0.003","90","","1078.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cerium aquahydroxidooctaoxidopentaborate nitrate dihydrate","","- B5 Ce H7 N O15 -","- B5 Ce H7 N O15 -","- B20 Ce4 H28 N4 O60 -","4","1","WM2613","Sun, Wei; Zhu, Teng-Teng; Zhao, Biao-Chun; Huang, Ya-Xi; Mi, Jin-Xiao","Redetermination of Ce[B~5~O~8~(OH)(H~2~O)]NO~3~·2H~2~O","Acta Crystallographica Section E","2012","68","5","i33","i34","10.1107/S1600536812016169","","","0.71073","MoKα","","0.0265","0.0255","","","0.06","0.0605","","","","","","1.124","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234835","11.1952","0.0004","13.8545","0.0006","10.4651","0.0003","90","","90","","90","","1623.18","0.1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis{2-[(4-chlorophenyl)iminomethyl]pyrrol-1-ido- κ^2^<i>N</i>,<i>N</i>'}bis(dimethylamido-κ<i>N</i>)titanium(IV) toluene monosolvate","","- C33 H36 Cl2 N6 Ti -","- C33 H36 Cl2 N6 Ti -","- C66 H72 Cl4 N12 Ti2 -","2","0.5","WM2614","Chen, Zhou; Wu, Jian; Li, Yahong; Hu, Bin","Bis{2-[(4-chlorophenyl)iminomethyl]pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>'}bis(dimethylamido-κ<i>N</i>)titanium(IV) toluene monosolvate","Acta Crystallographica Section E","2012","68","5","m596","m597","10.1107/S1600536812014961","","","0.71073","MoKα","","0.0399","0.0348","","","0.0987","0.1031","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234836","15.142","0.002","9.6734","0.0013","21.313","0.003","90","","107.445","0.003","90","","2978.2","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II)]-{μ-4,4'-[(4- carboxybenzyl)nitrilo]dibenzoato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}] monohydrate]","","- C34 H27 Mn N3 O8 -","- C34 H27 Mn N3 O8 -","- C136 H108 Mn4 N12 O32 -","4","1","WM2618","Hu, Jin-Song; Jing, Lei; Song, Xiao-Ming; He, Jie","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-{μ-4,4'-[(4-carboxybenzyl)nitrilo]dibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}] monohydrate]","Acta Crystallographica Section E","2012","68","5","m650","m651","10.1107/S1600536812016819","","","0.71073","MoKα","","0.0845","0.0602","","","0.1467","0.1558","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234837","5.53806","0.00004","10.50365","0.00008","10.2096","0.0001","90","","104.076","0.0007","90","","576.058","0.008","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Poly[[μ-(1-ammonioethane-1,1- diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]","","- C2 H12 Cl N Na2 O8 P2 -","- C2 H12 Cl N Na2 O8 P2 -","- C4 H24 Cl2 N2 Na4 O16 P4 -","2","0.5","WM2620","Rukiah, Mwaffak; Assaad, Thaer","Poly[[μ-(1-ammonioethane-1,1-diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]: a powder X-ray diffraction study","Acta Crystallographica Section E","2012","68","5","m699","m700","10.1107/S1600536812018077","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.33","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234838","12.0001","0.0003","12.0001","0.0003","12.0001","0.0003","90","","90","","90","","1728.04","0.07","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","trimanganese(II) dichromium(III) tris(germanate)","Trimanganese(II) dichromium(III) tris[orthogermanate(IV)]","","- Cr2 Ge3 Mn3 O12 -","- Cr2 Ge3 Mn3 O12 -","- Cr16 Ge24 Mn24 O96 -","8","0.0833333","WM2621","Lipp, Christian; Strobel, Sabine; Lissner, Falk; Niewa, Rainer","Garnet-type Mn~3~Cr~2~(GeO~4~)~3~","Acta Crystallographica Section E","2012","68","5","i35","","10.1107/S1600536812016832","","","0.71073","MoKα","","0.026","0.0251","","","0.0677","0.0681","","","","","","1.257","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234839","12.3544","0.0009","15.6411","0.0006","16.9333","0.001","69.52","0.005","87.516","0.005","89.446","0.005","3062.4","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","Bis{<i>S</i>-benzyl 3-[(6-methylpyridin-2-yl)methylidene]dithiocarbazato}nickel(II)","","- C30 H28 N6 Ni S4 -","- C30 H28 N6 Ni S4 -","- C120 H112 N24 Ni4 S16 -","4","2","WM2622","Ravoof, Thahira Begum S. A.; Omar, Siti Aminah; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","Bis{<i>S</i>-benzyl 3-[(6-methylpyridin-2-yl)methylidene]dithiocarbazato}nickel(II)","Acta Crystallographica Section E","2012","68","5","m664","","10.1107/S1600536812017333","","","0.71073","MoKα","","0.0494","0.0376","","0.087","0.0799","0.0869","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234840","14.3496","0.0008","14.8499","0.0009","15.2256","0.0009","62.061","0.001","72.261","0.001","85.202","0.001","2723.3","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-<i>N</i>'-(adamantan-1-ylcarbonyl)-2- oxidobenzohydrazidato(3-)]tetrapyridinetrinickel(II) dimethylformamide monosolvate monohydrate","","- C59 H67 N9 Ni3 O8 -","- C59 H67 N9 Ni3 O8 -","- C118 H134 N18 Ni6 O16 -","2","1","XU5481","Wei, Han-Chang; Huang, Wan-Yun; Zhou, Xiang; Shi, Meng; Liang, Fu-Pei","Bis[μ-<i>N</i>'-(adamantan-1-ylcarbonyl)-2-oxidobenzohydrazidato(3{-})]tetrapyridinetrinickel(II) dimethylformamide monosolvate monohydrate","Acta Crystallographica Section E","2012","68","5","m619","m620","10.1107/S1600536812013396","","","0.71073","MoKα","","0.0458","0.037","","","0.0941","0.0997","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234841","9.6742","0.0008","10.6187","0.0008","15.8542","0.0012","81.443","0.001","78.753","0.002","64.166","0.002","1434","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~2~-3-carboxy-5-(pyridine-4-carboxamido)benzoato][μ~4~- 5-(pyridine-4-carboxamido)isophthalato]cerium(III)] monohydrate]","","- C28 H23 Ce N4 O13 -","- C28 H23 Ce N4 O13 -","- C56 H46 Ce2 N8 O26 -","2","1","XU5485","Deng, Yi-Fang; Nie, Xue","Poly[[diaqua[μ~2~-3-carboxy-5-(pyridine-4-carboxamido)benzoato][μ~4~-5-(pyridine-4-carboxamido)isophthalato]cerium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","5","m530","","10.1107/S1600536812013402","","","0.71073","MoKα","","0.0348","0.0331","","","0.0851","0.0864","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234842","7.513","0.0015","26.712","0.005","14.97","0.005","90","","110.21","0.03","90","","2819.3","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Trichlorido{μ-6,6'-dimethoxy-2,2'-[cyclohexane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III)","","- C24 H32 Cl3 Cu N2 O6 Sm -","- C24 H32 Cl3 Cu N2 O6 Sm -","- C96 H128 Cl12 Cu4 N8 O24 Sm4 -","4","1","XU5492","Wang, Yan; Zhang, Qian; Yan, Peng-Fei; Hou, Guang-Feng; Li, Hong-Feng","Trichlorido{μ-6,6'-dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III)","Acta Crystallographica Section E","2012","68","5","m589","","10.1107/S1600536812014523","","","0.71073","MoKα","","0.0439","0.0379","","","0.0921","0.0957","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234843","12.7402","0.0019","6.9555","0.0011","10.7549","0.0016","90","","106.809","0.001","90","","912.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis[3-(1<i>H</i>-tetrazol-1-yl)propanoic acid-κ<i>N</i>^4^]cadmium]- di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C10 H12 Cd N10 O4 S2 -","- C10 H12 Cd N10 O4 S2 -","- C20 H24 Cd2 N20 O8 S4 -","2","0.5","XU5497","Wang, Jian-Guo; Zhang, Yuan; Su, Zhong-Xing; Liu, Xiang","Poly[[bis[3-(1<i>H</i>-tetrazol-1-yl)propanoic acid-κ<i>N</i>^4^]cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2012","68","5","m593","m594","10.1107/S1600536812014730","","","0.71073","MoKα","","0.0253","0.0209","","","0.0497","0.0519","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234844","8.5729","0.0013","17.555","0.003","20.427","0.003","90","","90","","90","","3074.2","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C136 H136 N24 O16 -","8","1","XU5499","Li, Li-Nan; Zhang, Wei-Guo; Huang, Shan-Shan; Li, Chuan-Xun; Wang, Shou-Yu","(<i>Z</i>)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1277","","10.1107/S1600536812013712","","","0.71073","MoKα","","0.0812","0.0488","","","0.1307","0.1528","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234845","5.4296","0.0005","19.7629","0.0014","6.8396","0.0005","90","","105.131","0.007","90","","708.48","0.1","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Dichloridobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc(II)","","- C10 H10 Cl2 N6 O2 Zn -","- C10 H10 Cl2 N6 O2 Zn -","- C20 H20 Cl4 N12 O4 Zn2 -","2","0.5","XU5500","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dichloridobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc(II)","Acta Crystallographica Section E","2012","68","5","m546","","10.1107/S1600536812013888","","","0.71073","MoKα","","0.0708","0.0446","","","0.0869","0.0929","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234846","14.347","0.0002","11.2122","0.0001","9.6852","0.0001","90","","107.556","0.001","90","","1485.41","0.03","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C64 H52 Br4 O8 S4 -","4","1","XU5502","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","5","o1298","","10.1107/S160053681201389X","","","0.71073","MoKα","","0.0498","0.0341","","","0.0799","0.0864","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234847","10.554","0.005","14.486","0.007","15.551","0.008","85.401","0.007","81.984","0.007","89.844","0.007","2347","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-4,4;6,6-bis(biphenyl-2,2'-diyldioxy)-2,2-bis{2-[5-(pyridin-4-yl)-1,3,4- oxadiazol-2-yl]phenoxy}cyclotriphosphazene)di-μ-chlorido- bis[chloridocopper(II)]","","- C100 H64 Cl4 Cu2 N18 O16 P6 -","- C100 H64 Cl4 Cu2 N18 O16 P6 -","- C100 H64 Cl4 Cu2 N18 O16 P6 -","1","0.5","XU5503","Wu, Xiang-Wen; Wang, Xiao-Yan; Ma, Jian-Ping; Dong, Yu-Bin","Bis(μ-4,4;6,6-bis(biphenyl-2,2'-diyldioxy)-2,2-bis{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phenoxy}cyclotriphosphazene)di-μ-chlorido-bis[chloridocopper(II)]","Acta Crystallographica Section E","2012","68","5","m648","m649","10.1107/S1600536812016285","","","0.71073","MoKα","","0.0811","0.0562","","","0.126","0.1387","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234848","7.5051","0.0003","10.5639","0.0004","21.6723","0.0009","90","","90","","90","","1718.25","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[aqua(2-iodobenzoato-κ<i>O</i>)cobalt(II)]- μ-aqua-μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>']","","- C14 H12 Co I2 O6 -","- C14 H12 Co I2 O6 -","- C56 H48 Co4 I8 O24 -","4","1","XU5504","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>catena</i>-Poly[[aqua(2-iodobenzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2012","68","5","m601","m602","10.1107/S1600536812015115","","","0.71073","MoKα","","0.0202","0.0201","","","0.0509","0.051","","","","","","1.202","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234849","8.9685","0.0018","9.7305","0.0019","13.995","0.003","90","","102.14","0.03","90","","1194","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Guanidinium chloride‒18-crown-6 (2/1)","","- C14 H34 Cl2 N6 O6 -","- C14 H34 Cl2 N6 O6 -","- C28 H68 Cl4 N12 O12 -","2","0.5","XU5505","Wei, Bin","Guanidinium chloride‒18-crown-6 (2/1)","Acta Crystallographica Section E","2012","68","5","o1490","","10.1107/S1600536812016959","","","0.71073","MoKα","","0.1996","0.0738","","","0.1634","0.22","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234850","25.3322","0.0019","11.21","0.0009","12.3721","0.0009","90","","97.917","0.001","90","","3479.9","0.5","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[silver(I)-μ-1,2-bis(4,4-dimethyl-4,5-dihydro- 1,3-oxazol-2-yl)ethane-κ^2^<i>N</i>:<i>N</i>'] perchlorate hemihydrate]","","- C24 H42 Ag2 Cl2 N4 O13 -","- C24 H42 Ag2 Cl2 N4 O13 -","- C96 H168 Ag8 Cl8 N16 O52 -","4","0.5","XU5506","Yeh, Chun-Wei; Huang, Fu-Chang; Lin, Shui-Chuan; Jong, Ay; Suen, Maw-Cherng","<i>catena</i>-Poly[[silver(I)-μ-1,2-bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)ethane-κ^2^<i>N</i>:<i>N</i>'] perchlorate hemihydrate]","Acta Crystallographica Section E","2012","68","5","m637","m638","10.1107/S1600536812016406","","","0.71073","MoKα","","0.0358","0.0291","","","0.085","0.0897","","","","","","1.228","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234851","8.262","0.0009","9.6859","0.001","18.661","0.002","85.413","0.001","89.262","0.001","65.084","0.001","1349.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-{[4'-(1<i>H</i>-1,2,4-Triazol-2-ium-1-ylmethyl)biphenyl-4-yl]methyl}- 1<i>H</i>-1,2,4-triazol-2-ium bis(3-carboxy-5-iodobenzoate)‒5-iodobenzene-3,5-dicarboxylic acid‒water (1/2/2)","","- C50 H40 I4 N6 O18 -","- C50 H40 I4 N6 O18 -","- C50 H40 I4 N6 O18 -","1","0.5","XU5507","Zhang, Kou-Lin; Deng, Ye; Ng, Seik Weng","1-{[4'-(1<i>H</i>-1,2,4-Triazol-2-ium-1-ylmethyl)biphenyl-4-yl]methyl}-1<i>H</i>-1,2,4-triazol-2-ium bis(3-carboxy-5-iodobenzoate)‒5-iodobenzene-3,5-dicarboxylic acid‒water (1/2/2)","Acta Crystallographica Section E","2012","68","5","o1362","","10.1107/S1600536812014584","","","0.71073","MoKα","","0.0603","0.041","","","0.104","0.1162","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234852","10.4889","0.0011","15.7477","0.0016","9.9332","0.001","90","","97.664","0.008","90","","1626.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(pyrazine-2-carboxamide- κ^2^<i>N</i>^1^,<i>O</i>)zinc]-μ-pyrazine-2-carboxamide- κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] dinitrate]","","- C10 H12 N8 O9 Zn -","- C10 H12 N8 O9 Zn -","- C40 H48 N32 O36 Zn4 -","4","1","XU5508","Shirvan, Sadif A.; Haydari Dezfuli, Sara","<i>catena</i>-Poly[[[aqua(pyrazine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)zinc]-μ-pyrazine-2-carboxamide-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] dinitrate]","Acta Crystallographica Section E","2012","68","5","m627","m628","10.1107/S1600536812016017","","","0.71073","MoKα","","0.1293","0.0761","","","0.0935","0.1031","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234853","9.5733","0.0009","15.0134","0.0014","15.9462","0.0015","90","","90","","90","","2291.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(3a<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-Tetramethyltetrahydro- 3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-3a-yl]methyl (<i>R</i>)-<i>N</i>-(1-phenylethyl)sulfamate","","- C20 H29 N O8 S -","- C20 H29 N O8 S -","- C80 H116 N4 O32 S4 -","4","1","XU5509","Xie, Meng; Shen, Si-Si; Chen, Bao-Feng; Sha, Yu","[(3a<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-Tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-3a-yl]methyl (<i>R</i>)-<i>N</i>-(1-phenylethyl)sulfamate","Acta Crystallographica Section E","2012","68","5","o1581","","10.1107/S1600536812016704","","","0.71073","MoKα","","0.052","0.0409","","","0.094","0.0998","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234854","6.8437","0.0003","13.3207","0.0005","17.9045","0.0007","90","","90","","90","","1632.23","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[pentaaquacerium(III)]-μ-pyridine-2,4,6-tricarboxylato- κ^4^<i>N</i>,<i>O</i>^2^,<i>O</i>^6^:<i>O</i>^6'^)] tetrahydrate]","","- C8 H20 Ce N O15 -","- C8 H20 Ce N O15 -","- C32 H80 Ce4 N4 O60 -","4","1","XU5510","Sharif, Shahzad; Khan, Islam Ullah; Zaheer, Samia; Ng, Seik Weng","<i>catena</i>-Poly[[[pentaaquacerium(III)]-μ-pyridine-2,4,6-tricarboxylato-κ^4^<i>N</i>,<i>O</i>^2^,<i>O</i>^6^:<i>O</i>^6'^] tetrahydrate]","Acta Crystallographica Section E","2012","68","5","m624","m625","10.1107/S1600536812015887","","","0.71073","MoKα","","0.0394","0.0331","","","0.0724","0.0775","","","","","","1.065","","","","has coordinates,has Fobs","194589","2020-10-21","18:00:00",""
"2234855","9.7379","0.0005","12.4797","0.0007","10.2392","0.0007","90","","93.129","0.005","90","","1242.47","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Anilinomethyl-5-chloro-1,3-benzoxazol-2(3<i>H</i>)-one","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","XU5511","Aydın, Abdullah; Soyer, Zeynep; Akkurt, Mehmet; Büyükgüngör, Orhan","3-Anilinomethyl-5-chloro-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1544","o1545","10.1107/S1600536812017709","","","0.71073","MoKα","","0.0538","0.0428","","","0.101","0.1063","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234856","6.3043","0.0003","11.5256","0.0007","13.4905","0.0008","90","","90","","90","","980.23","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-(3-Carboxy-2-hydroxypropyl)trimethylazanium chloride","","- C7 H16 Cl N O3 -","- C7 H16 Cl N O3 -","- C28 H64 Cl4 N4 O12 -","4","1","XU5512","Ng, Seik Weng","(<i>R</i>)-(3-Carboxy-2-hydroxypropyl)trimethylazanium chloride","Acta Crystallographica Section E","2012","68","5","o1416","","10.1107/S160053681201598X","","","0.71073","MoKα","","0.0286","0.0273","","","0.0707","0.0719","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234857","25.806","0.005","7.7081","0.0015","19.55","0.004","90","","104.27","0.03","90","","3768.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(4-methoxyanilinium) hexachloridobismuthate(III) chloride monohydrate","","- C28 H42 Bi Cl7 N4 O5 -","- C28 H42 Bi Cl7 N4 O5 -","- C112 H168 Bi4 Cl28 N16 O20 -","4","0.5","XU5513","Liu, Ming-Liang","Tetrakis(4-methoxyanilinium) hexachloridobismuthate(III) chloride monohydrate","Acta Crystallographica Section E","2012","68","5","m652","","10.1107/S1600536812017096","","","0.71073","MoKα","","0.0498","0.0312","","","0.0604","0.065","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234858","15.1905","0.0005","5.4501","0.0002","19.7569","0.0009","90","","106","0.02","90","","1572.31","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop- 2-en-1-one","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","XU5515","Li, Guang-Bing; Li, Lu; Wang, Guo-Xi","(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1446","","10.1107/S1600536812016327","","","0.71073","MoKα","","0.1294","0.0889","","","0.2483","0.2866","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234859","15.839","0.003","8.326","0.0017","9.425","0.0019","90","","101.29","0.03","90","","1218.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methyl-<i>N</i>-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide","","- C12 H9 F3 N2 O2 -","- C12 H9 F3 N2 O2 -","- C48 H36 F12 N8 O8 -","4","1","XU5516","Wang, De-Cai; Qiu, Jiang-Kai; Zhu, Hai-Xi; Wei, Ping; Ou-Yang, Ping-Kai","5-Methyl-<i>N</i>-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide","Acta Crystallographica Section E","2012","68","5","o1450","","10.1107/S1600536812016467","","","0.71073","MoKα","","0.1257","0.0616","","","0.137","0.1637","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234860","6.6907","0.0001","10.0963","0.0002","13.2283","0.0003","90.284","0.001","91.192","0.001","99.709","0.001","880.57","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminobenzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato- κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)nickelate(II) hexahydrate","","- C30 H42 N4 Ni O16 S2 -","- C30 H42 N4 Ni O16 S2 -","- C30 H42 N4 Ni O16 S2 -","1","0.5","XU5517","Wang, Gui-Xian; Zhang, Qi-Wei; Zhang, Fan","Bis(2-aminobenzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)nickelate(II) hexahydrate","Acta Crystallographica Section E","2012","68","5","m683","","10.1107/S1600536812017722","","","0.71073","MoKα","","0.0391","0.0319","","","0.0845","0.0887","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234861","8.1727","0.0015","13.681","0.002","9.5173","0.0015","90","","98.39","0.005","90","","1052.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Benzene-1,2-di(aminium) naphthalene-1,5-disulfonate methanol monosolvate trihydrate","","- C17 H26 N2 O10 S2 -","- C17 H26 N2 O10 S2 -","- C34 H52 N4 O20 S4 -","2","0.5","XU5520","Gao, Shan; Ng, Seik Weng","Benzene-1,2-di(aminium) naphthalene-1,5-disulfonate methanol monosolvate trihydrate","Acta Crystallographica Section E","2012","68","5","o1574","","10.1107/S1600536812018284","","","0.71073","MoKα","","0.0687","0.0545","","","0.1573","0.1762","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234862","8.0913","0.0016","8.1917","0.0016","9.8062","0.0018","71.182","0.005","65.95","0.005","79.945","0.005","561.12","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-aminopropan-1-aminium) naphthalene-1,5-disulfonate dihydrate","","- C16 H32 N4 O8 S2 -","- C16 H32 N4 O8 S2 -","- C16 H32 N4 O8 S2 -","1","0.5","XU5521","Gao, Shan; Ng, Seik Weng","Bis(3-aminopropan-1-aminium) naphthalene-1,5-disulfonate dihydrate","Acta Crystallographica Section E","2012","68","5","o1575","","10.1107/S1600536812018296","","","0.71073","MoKα","","0.0487","0.0441","","","0.1151","0.1267","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234863","10.442","0.004","12.666","0.006","6.803","0.004","90","","96.897","0.019","90","","893.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~3~-acetato-μ~8~-(naphthalene-1,5-disulfonato)-dilead(II)]","","- C14 H12 O10 Pb2 S2 -","- C14 H12 O10 Pb2 S2 -","- C28 H24 O20 Pb4 S4 -","2","0.5","XU5522","Gao, Shan; Ng, Seik Weng","Poly[di-μ~3~-acetato-μ~8~-(naphthalene-1,5-disulfonato)-dilead(II)]","Acta Crystallographica Section E","2012","68","5","m707","","10.1107/S160053681201834X","","","0.71073","MoKα","","0.0321","0.0304","","","0.0748","0.0757","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234864","8.9354","0.0018","9.86","0.002","14.306","0.003","90","","101.39","0.03","90","","1235.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Guanidinium bromide‒18-crown-6 (2/1)","","- C14 H36 Br2 N6 O6 -","- C14 H36 Br2 N6 O6 -","- C28 H72 Br4 N12 O12 -","2","0.5","YK2049","Wang, Yu-feng","Guanidinium bromide‒18-crown-6 (2/1)","Acta Crystallographica Section E","2012","68","5","o1530","","10.1107/S1600536812017394","","","0.71073","MoKα","","0.0818","0.0529","","","0.115","0.127","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234865","7.43","0.0005","7.6019","0.0005","22.1933","0.0014","89.315","0.004","89.17","0.004","64.891","0.004","1134.93","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-(5-Bromothiophen-2-yl)-5-[5-(10-ethylphenothiazin-3-yl)thiophen-2-yl]- 1,3,4-oxadiazole","","- C24 H16 Br N3 O S3 -","- C24 H16 Br N3 O S3 -","- C48 H32 Br2 N6 O2 S6 -","2","1","YK2050","Pan, Yu-Zhen; Wang, You-Gui; Liu, Jian-Hui; Sun, Li-Cheng","2-(5-Bromothiophen-2-yl)-5-[5-(10-ethylphenothiazin-3-yl)thiophen-2-yl]-1,3,4-oxadiazole","Acta Crystallographica Section E","2012","68","5","o1383","o1384","10.1107/S160053681201361X","","","0.71073","MoKα","","0.0563","0.0435","","","0.1275","0.1361","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234866","7.9411","0.0001","13.0312","0.0002","13.6564","0.0002","97.356","0.001","97.12","0.001","103.739","0.001","1343.87","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua[3-(3-hydroxyphenyl)prop-2-enoato]samarium(III)]- bis[μ~2~-3-(3-hydroxyphenyl)prop-2-enoato]] monohydrate]","","- C27 H25 O11 Sm -","- C27 H25 O11 Sm -","- C54 H50 O22 Sm2 -","2","1","ZJ2052","Guo, Jing-ke; Wen, Yi-Hang","<i>catena</i>-Poly[[[aqua[3-(3-hydroxyphenyl)prop-2-enoato]samarium(III)]-bis[μ~2~-3-(3-hydroxyphenyl)prop-2-enoato]] monohydrate]","Acta Crystallographica Section E","2012","68","5","m543","m544","10.1107/S1600536812013724","","","0.71073","MoKα","","","0.014","","","0.0365","0.0369","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234867","12.2491","0.0002","12.317","0.0003","13.1142","0.0002","104.854","0.001","112.943","0.001","102.798","0.001","1642.31","0.06","100","1","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[2-(2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamidato- κ^3^<i>O</i>,<i>N</i>^2^,<i>S</i>]nickel(II) dimethylformamide monosolvate","","- C33 H29 N9 Ni O3 S2 -","- C33 H29 N9 Ni O3 S2 -","- C66 H58 N18 Ni2 O6 S4 -","2","1","ZJ2062","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","Bis[2-(2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamidato-κ^3^<i>O</i>,<i>N</i>^2^,<i>S</i>]nickel(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","5","m538","m539","10.1107/S1600536812012834","","","0.71073","MoKα","","0.0583","0.0406","","","0.0972","0.1066","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234868","12.1078","0.0006","8.4057","0.0005","14.7022","0.0009","90","","105.541","0.003","90","","1441.6","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Chlorophenyl)(4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)methanone","","- C15 H10 Cl N O4 S -","- C15 H10 Cl N O4 S -","- C60 H40 Cl4 N4 O16 S4 -","4","1","ZJ2065","Sattar, Nazia; Siddiqui, Hamid Latif; Ahmad, Matloob; Siddiqui, Waseeq Ahmad; Parvez, Masood","(2-Chlorophenyl)(4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazin-3-yl)methanone","Acta Crystallographica Section E","2012","68","5","o1326","","10.1107/S1600536812014171","","","0.71073","MoKα","","0.0965","0.0684","","","0.1203","0.1379","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234869","8.249","0.0016","16.136","0.003","10.15","0.002","90","","104.76","0.03","90","","1306.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4,6-Trimethyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline","","- C15 H16 N2 -","- C15 H16 N2 -","- C60 H64 N8 -","4","1","ZJ2067","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Yang, Yu-Lin","(<i>E</i>)-2,4,6-Trimethyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline","Acta Crystallographica Section E","2012","68","5","o1427","","10.1107/S1600536812015905","","","0.71073","MoKα","","0.0765","0.0556","","","0.1764","0.2002","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234870","8.6806","0.0002","20.4319","0.0004","10.61","0.0002","90","","99.713","0.001","90","","1854.83","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C13","3-Methyl-1-phenyl-4-[(phenyl)(2-phenylhydrazin-1-yl)methylidene]-1<i>H</i>- pyrazol-5(4<i>H</i>)-one","","- C23 H20 N4 O -","- C23 H20 N4 O -","- C92 H80 N16 O4 -","4","1","ZJ2068","Idemudia, Omoruyi G.; Sadimenko, Alexander P.; Afolayan, Anthony J.; Hosten, Eric C.","3-Methyl-1-phenyl-4-[(phenyl)(2-phenylhydrazin-1-yl)methylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1280","o1281","10.1107/S1600536812013463","","","0.71073","MoKα","","0.0476","0.0391","","","0.0998","0.1079","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234871","6.997","0.002","14.919","0.004","15.907","0.005","90","","101.176","0.004","90","","1629","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-6-nitroaniline","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","2","ZJ2069","Chen, Hu-Kui","2,4-Dimethyl-6-nitroaniline","Acta Crystallographica Section E","2012","68","5","o1392","","10.1107/S1600536812014547","","","0.71073","MoKα","","0.0758","0.0487","","","0.1197","0.1342","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234872","9.287","0.002","9.493","0.002","35.754","0.008","90","","95.683","0.004","90","","3136.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(ethylamino)-2',7'-dimethyl-2-{2-(<i>E</i>)-[(thiophen-2- yl)methylideneamino]ethyl}spiro[isoindoline-1,9'-xanthen]-3-one methanol monosolvate","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","1","ZJ2071","Li, Qing-yu; Guo, Rui; Xu, Zhi-hong","3',6'-Bis(ethylamino)-2',7'-dimethyl-2-{2-(<i>E</i>)-[(thiophen-2-yl)methylideneamino]ethyl}spiro[isoindoline-1,9'-xanthen]-3-one methanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1556","","10.1107/S1600536812018181","","","0.71073","MoKα","","0.1117","0.0767","","","0.2166","0.2504","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234873","5.3284","0.0005","9.216","0.001","13.133","0.002","90","","94.22","0.01","90","","643.17","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis(acetato-κ<i>O</i>)bis(2-aminoethanol- κ^2^<i>N</i>,<i>O</i>)nickel(II)","","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","- C16 H40 N4 Ni2 O12 -","2","0.5","ZL2465","Seifollahi Bazarjani, Mahdi; Foro, Sabine; Donner, Wolfgang; Gurlo, Aleksander; Riedel, Ralf","<i>trans</i>-Bis(acetato-κ<i>O</i>)bis(2-aminoethanol-κ^2^<i>N</i>,<i>O</i>)nickel(II)","Acta Crystallographica Section E","2012","68","5","m567","m568","10.1107/S1600536812014237","","","0.71073","MoKα","","0.0541","0.0363","","","0.0857","0.093","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234874","7.9792","0.0016","12.516","0.003","8.711","0.0017","90","","113.84","0.03","90","","795.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~9~-citrato-cobalt(II)tetrasodium]","","- C12 H10 Co Na4 O14 -","- C12 H10 Co Na4 O14 -","- C24 H20 Co2 Na8 O28 -","2","0.5","ZL2468","Liu, Zhen; Tian, Ruijing; Mao, Rui; Cao, Xueyin; Wang, Fuxiang","Poly[di-μ~9~-citrato-cobalt(II)tetrasodium]","Acta Crystallographica Section E","2012","68","5","m679","m680","10.1107/S1600536812017606","","","0.71073","MoKα","","0.0595","0.0411","","","0.0677","0.0721","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234875","14.315","0.006","8.081","0.003","7.42","0.003","90","","104.705","0.007","90","","830.2","0.6","246","2","246","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichloridobis(2,4-dimethylaniline-κ<i>N</i>)palladium(II)","","- C16 H22 Cl2 N2 Pd -","- C16 H22 Cl2 N2 Pd -","- C32 H44 Cl4 N4 Pd2 -","2","0.5","ZL2469","Pan, Yong; Guo, Hai-Fu; Ma, De-Yun; Lu, Kuan","<i>trans</i>-Dichloridobis(2,4-dimethylaniline-κ<i>N</i>)palladium(II)","Acta Crystallographica Section E","2012","68","5","m592","","10.1107/S1600536812015279","","","0.71073","MoKα","","0.0391","0.0294","","","0.0699","0.0764","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234876","11.5698","0.0005","13.0393","0.0006","22.0393","0.001","90","","90","","90","","3324.9","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylylidene)]diphenolate","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C136 H128 N32 O48 -","8","1","ZL2472","Ha, Kwang","4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylylidene)]diphenolate","Acta Crystallographica Section E","2012","68","5","o1399","","10.1107/S1600536812015504","","","0.71073","MoKα","","0.1135","0.0515","","","0.1074","0.1378","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234877","34.05","0.004","14.1831","0.001","7.8764","0.0006","90","","90","","90","","3803.8","0.6","291","2","291.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^<i>O</i>^2^:<i>O</i>^3^]]","","- C40 H32 Cl2 N4 O9 Zn2 -","- C40 H32 Cl2 N4 O9 Zn2 -","- C160 H128 Cl8 N16 O36 Zn8 -","4","1","ZQ2156","Zhu, Yu; Li, Hai-Yang; Ma, Ming-Li","<i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^]]","Acta Crystallographica Section E","2012","68","5","m574","m575","10.1107/S1600536812014006","","","0.7107","MOKα","","0.0769","0.0561","","","0.0964","0.1041","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234878","5.6208","0.0012","7.9828","0.0017","10.857","0.002","76.846","0.004","75.882","0.004","75.954","0.004","450.91","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate","","- C6 H9 N5 O4 -","- C6 H9 N5 O4 -","- C12 H18 N10 O8 -","2","1","ZQ2157","Narimani, Leila; Yamin, Bohari M.","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate","Acta Crystallographica Section E","2012","68","5","o1475","","10.1107/S1600536812016637","","","0.71073","MoKα","","0.0463","0.0405","","","0.108","0.113","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234879","7.9438","0.0019","14.225","0.003","14.895","0.003","100.114","0.003","94.421","0.004","100.524","0.004","1618.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","6-Chloro-<i>N</i>^4^,<i>N</i>^4^-dimethylpyrimidine-2,4-diamine","","- C6 H9 Cl N4 -","- C6 H9 Cl N4 -","- C48 H72 Cl8 N32 -","8","4","ZQ2159","Pang, Yuan-Yuan; Yu, Kai; Sun, Bin; Guo, Dian-Shun","6-Chloro-<i>N</i>^4^,<i>N</i>^4^-dimethylpyrimidine-2,4-diamine","Acta Crystallographica Section E","2012","68","5","o1294","o1295","10.1107/S1600536812013517","","","0.71073","MoKα","","0.0914","0.0584","","","0.126","0.1358","","","","","","0.97","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234880","21.937","0.004","9.817","0.002","19.059","0.004","90","","109.85","0.03","90","","3860.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-Diethylamino-2-propylsulfanyl-3-(1<i>H</i>-1,2,4-triazol-1-yl)-4<i>H</i>- thiochromen-4-one","","- C18 H22 N4 O S2 -","- C18 H22 N4 O S2 -","- C144 H176 N32 O8 S16 -","8","1","ZQ2162","Li, Chen; Yu, Guang Yan; Tian, Xin; Li, Song; Xiao, Tao","7-Diethylamino-2-propylsulfanyl-3-(1<i>H</i>-1,2,4-triazol-1-yl)-4<i>H</i>-thiochromen-4-one","Acta Crystallographica Section E","2012","68","5","o1435","","10.1107/S1600536812015954","","","0.71073","MoKα","","0.0957","0.0623","","","0.1603","0.1805","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234881","7.7337","0.0015","11.58","0.002","15.26","0.003","90","","98.43","0.03","90","","1351.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(quinolin-8-yloxy)phthalic acid","2-Carboxy-6-(quinolin-1-ium-8-yloxy)benzoate","","- C17 H11 N O5 -","- C17 H11 N O5 -","- C68 H44 N4 O20 -","4","1","ZS2185","Cai, Li-Mao; Fang, Xin; Lin, Mei-Jin; Xie, Jin; Wang, Jun-Dong","2-Carboxy-6-(quinolin-1-ium-8-yloxy)benzoate","Acta Crystallographica Section E","2012","68","5","o1351","","10.1107/S1600536812013980","","","0.71073","MoKα","","0.0641","0.0582","","","0.1466","0.157","","","","","","1.265","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234882","14.325","0.003","13.448","0.003","19.914","0.004","90","","101.449","0.005","90","","3759.9","1.4","275","2","275","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-7,7',9,9'-Tetraphenyl-9a,9a'-bi(7,8,9,9a-tetrahydro-6a<i>H</i>- pentaleno[1,2,3-<i>ij</i>]naphthalen-8-one)","","- C54 H38 O2 -","- C54 H38 O2 -","- C216 H152 O8 -","4","1","ZS2187","Zhang, Xiangdong; Ye, Junwei; Gong, Weitao; Lin, Yuan; Ning, Guiling","<i>rac</i>-7,7',9,9'-Tetraphenyl-9a,9a'-bi(7,8,9,9a-tetrahydro-6a<i>H</i>-pentaleno[1,2,3-<i>ij</i>]naphthalen-8-one)","Acta Crystallographica Section E","2012","68","5","o1329","","10.1107/S1600536812014146","","","0.71073","MoKα","","0.135","0.0659","","","0.1246","0.1609","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234883","6.883","0.0014","23.029","0.005","13.291","0.003","90","","90","","90","","2106.7","0.8","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","bis(<i>N</i>-methylacetamide) hydrobromide","(1-Hydroxyethylidene)(methyl)azanium bromide‒<i>N</i>-methylacetamide (1/1)","","- C6 H15 Br N2 O2 -","- C6 H15 Br N2 O2 -","- C48 H120 Br8 N16 O16 -","8","","ZS2188","Wei, Bin","(1-Hydroxyethylidene)(methyl)azanium bromide‒<i>N</i>-methylacetamide (1/1)","Acta Crystallographica Section E","2012","68","5","o1491","","10.1107/S1600536812016984","","","0.71073","MoKα","","0.081","0.0437","","","0.089","0.1007","","","","","","1.064","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234884","8.6367","0.0017","10.46","0.002","19.847","0.004","91.87","0.03","94.38","0.03","92.8","0.03","1784.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine- κ^2^<i>N</i>,<i>N</i>'}neodymium(III)","","- C36 H30 Cl3 N6 Nd O3 -","- C36 H30 Cl3 N6 Nd O3 -","- C72 H60 Cl6 N12 Nd2 O6 -","2","1","ZS2190","Yang, Hua","Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ^2^<i>N</i>,<i>N</i>'}neodymium(III)","Acta Crystallographica Section E","2012","68","5","m578","m579","10.1107/S1600536812014055","","","0.71073","MoKα","","0.0255","0.0221","","","0.0554","0.0592","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234885","11.9735","0.0004","10.7539","0.0003","8.0162","0.0003","90","","106.5","0.004","90","","989.68","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis[2-(5-(pyridin-3-yl)-1,2,4-triazol-3-yl)pyrazine]copper(II)","Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazol-1-ido- κ<i>N</i>^1^]copper(II)","","- C22 H14 Cu N12 -","- C22 H14 Cu N12 -","- C44 H28 Cu2 N24 -","2","0.5","ZS2193","Cong, Lin-Lin; Kang, Min-Yan; Ji, Yu-Fei; Liu, Zhi-Liang","Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazol-1-ido-κ<i>N</i>^1^]copper(II)","Acta Crystallographica Section E","2012","68","5","m669","","10.1107/S1600536812016777","","","0.71073","MoKα","","0.0428","0.0326","","","0.0779","0.083","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234886","3.7219","0.0012","16.429","0.005","7.791","0.002","90","","97.167","0.006","90","","472.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-[4-(1<i>H</i>-Imidazol-1-yl)phenyl]-1<i>H</i>-tetrazole","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","1","ZS2194","Tong, Shao-Wei; Song, Wen-Dong; Li, Shi-Jie; Miao, Dong-Liang; An, Jing-Bo","5-[4-(1<i>H</i>-Imidazol-1-yl)phenyl]-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2012","68","5","o1274","","10.1107/S1600536812013670","","","0.71073","MoKα","","0.0495","0.0392","","","0.0906","0.1198","","","","","","1.347","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234887","6.846","0.0014","8.0065","0.0016","11.469","0.002","97.059","0.004","95.987","0.004","98.072","0.004","613","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3-Ethoxycarbonyl-2-hydroxy-6-methoxy-4-methylbenzoic acid","","- C12 H14 O6 -","- C12 H14 O6 -","- C24 H28 O12 -","2","1","ZS2195","Deng, Yun-Xia; Guo, Tao; Xie, Hui; Pan, Sheng-Li","3-Ethoxycarbonyl-2-hydroxy-6-methoxy-4-methylbenzoic acid","Acta Crystallographica Section E","2012","68","5","o1420","","10.1107/S1600536812015012","","","0.71073","MoKα","","0.0845","0.0572","","","0.1576","0.1737","","","","","","0.91","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234888","14.918","0.003","4.922","0.001","20.928","0.004","90","","103.26","0.03","90","","1495.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-Methyl 2-(2-formyl-4-nitrophenoxy)hexanoate","","- C14 H17 N O6 -","- C14 H17 N O6 -","- C56 H68 N4 O24 -","4","1","ZS2196","Song, Jun-Song; Wang, De-Cai; He, Xue-Jun; Qiu, Jiang-Kai; Ou-yang, Ping-Kai","<i>rac</i>-Methyl 2-(2-formyl-4-nitrophenoxy)hexanoate","Acta Crystallographica Section E","2012","68","5","o1395","","10.1107/S1600536812015462","","","0.71073","MoKα","","0.1753","0.0759","","","0.1372","0.1719","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234889","11.26","0.002","12.786","0.003","9.67","0.0019","90","","100.65","0.03","90","","1368.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichloro-<i>N</i>-(4-methylphenyl)benzamide","2,6-Dichloro-<i>N</i>-(4-methylphenyl)benzamide","","- C14 H11 Cl2 N O -","- C14 H11 Cl2 N O -","- C56 H44 Cl8 N4 O4 -","4","1","ZS2197","Wei, Peng-Fei; Hao, Ling-Yun; Yang, Xiao-Li; Ye, Yuan-Feng; Feng, Zhi-Qiang","2,6-Dichloro-<i>N</i>-(4-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","5","o1417","","10.1107/S1600536812015188","","","0.71073","MoKα","","0.1021","0.0533","","","0.1241","0.15","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234890","20.4168","0.0013","4.93","0.0003","15.547","0.0012","90","","111.29","0.003","90","","1458.08","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dimethyl 5,5'-methylenebis(2-hydroxybenzoate)","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","0.5","ZS2198","Guieu, Samuel; Brandão, Paula; Rocha, João; Silva, Artur M. S.","Dimethyl 5,5'-methylenebis(2-hydroxybenzoate)","Acta Crystallographica Section E","2012","68","5","o1404","","10.1107/S1600536812015760","","","0.71073","MoKα","","0.0435","0.0395","","","0.1071","0.1126","","","","","","0.958","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234891","11.7704","0.0004","8.2809","0.0004","12.4652","0.0006","90","","108.151","0.002","90","","1154.52","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-Benzylchromen-2-one","3-Benzyl-2<i>H</i>-chromen-2-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","ZS2199","Li, Guo-Qiang; Li, Yao-Lan; Jiang, Tao; Jiang, Ren-Wang; Wang, Guo-Cai","3-Benzyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2012","68","5","o1504","","10.1107/S1600536812014298","","","0.710747","MoKα","","0.0435","0.0341","","","0.0864","0.0925","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234892","8.717","0.0014","9.585","0.0016","11.8524","0.0019","110.475","0.002","107.185","0.002","96.424","0.003","860.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-<i>tert</i>-Butyl-4-chloro-5-[4-(2-fluoroethoxy)benzyloxy]pyridazin- 3(2<i>H</i>)-one","","- C17 H20 Cl F N2 O3 -","- C17 H20 Cl F N2 O3 -","- C34 H40 Cl2 F2 N4 O6 -","2","1","AA2046","Jing, Huihui; Mou, Tiantian; Zhang, Xianzhong","2-<i>tert</i>-Butyl-4-chloro-5-[4-(2-fluoroethoxy)benzyloxy]pyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1707","","10.1107/S1600536812020491","","","0.71073","MoKα","","0.0399","0.0364","","","0.0915","0.0938","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234893","16.75","0.002","9.7334","0.0013","19.385","0.003","90","","111.669","0.003","90","","2937.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[dicyclohexyl(2,6- diisopropylphenyl)phosphane-κ<i>P</i>]rhodium(I)","","- C30 H46 O3 P Rh -","- C30 H46 O3 P Rh -","- C120 H184 O12 P4 Rh4 -","4","1","AA2053","Davis, Wade L.; Mathobela, Sfiso D.; Meijboom, Reinout","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[dicyclohexyl(2,6-diisopropylphenyl)phosphane-κ<i>P</i>]rhodium(I)","Acta Crystallographica Section E","2012","68","6","m737","","10.1107/S1600536812018831","","","0.71073","MoKα","","0.0482","0.0428","","","","0.105","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234894","9.9546","0.0004","42.1921","0.0019","8.6133","0.0004","90","","90","","90","","3617.6","0.3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","<i>N</i>-(Anthracen-9-ylmethyl)adamantan-1-amine","","- C25 H27 N -","- C25 H27 N -","- C200 H216 N8 -","8","1","AA2056","Fan, Wei-Qiang; Chen, Fu-Xiao","<i>N</i>-(Anthracen-9-ylmethyl)adamantan-1-amine","Acta Crystallographica Section E","2012","68","6","o1831","","10.1107/S1600536812022106","","","0.71073","MoKα","","0.0463","0.0389","","","0.0964","0.1035","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234895","12.1993","0.0014","8.2012","0.0009","33.453","0.004","90","","90","","90","","3346.9","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C136 H200 N24 O16 -","8","1","AA2057","Wang, Zhe-Qin; Ma, Yi","1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine","Acta Crystallographica Section E","2012","68","6","o1941","","10.1107/S1600536812023525","","","0.71073","MoKα","","0.0853","0.0726","","","0.2166","0.2305","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234896","12.0877","0.0003","8.73462","0.00015","17.3712","0.0004","90","","93.588","0.002","90","","1830.48","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,17-Dichloro-8,9,10,11-tetrahydro-19<i>H</i>- dibenzo[<i>k</i>,<i>n</i>][1,10,4,7]dioxadiazacyclopentadecine- 7,12(6<i>H</i>,13<i>H</i>)-dione","","- C19 H18 Cl2 N2 O4 -","- C19 H18 Cl2 N2 O4 -","- C76 H72 Cl8 N8 O16 -","4","1","AA2058","Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel","2,17-Dichloro-8,9,10,11-tetrahydro-19<i>H</i>-dibenzo[<i>k</i>,<i>n</i>][1,10,4,7]dioxadiazacyclopentadecine-7,12(6<i>H</i>,13<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","6","o1698","o1699","10.1107/S1600536812020351","","","1.5418","CuKα","","0.0295","0.0292","","","0.0734","0.0737","","","","","","1.069","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234897","7.1285","0.0017","13.301","0.003","12.804","0.003","90","","90.54","0.004","90","","1214","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[chlorido[μ~4~-2,2'-(2-methyl-1<i>H</i>-benzimidazol-3-ium- 1,3-diyl)diacetato]zinc]","","- C12 H11 Cl N2 O4 Zn -","- C12 H11 Cl N2 O4 Zn -","- C48 H44 Cl4 N8 O16 Zn4 -","4","1","BG2452","Liu, Jia-Qin; Jiang, Zhen-Jü; Xu, Zhi-Hong; Zhang, Yan","Poly[chlorido[μ~4~-2,2'-(2-methyl-1<i>H</i>-benzimidazol-3-ium-1,3-diyl)diacetato]zinc]","Acta Crystallographica Section E","2012","68","6","m751","","10.1107/S1600536812020077","","","0.71073","MoKα","","0.0308","0.0265","","","0.0749","0.0776","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234898","7.39","0.004","9.385","0.005","10.587","0.006","106.618","0.007","97.489","0.006","101.098","0.009","676.9","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","6-Benzyloxy-2-phenylpyridazin-3(2<i>H</i>)-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","BG2457","Ju, Zhi-Yu; Li, Gong-Chun; Li, Chao; Wang, Jie; Yang, Feng-Ling","6-Benzyloxy-2-phenylpyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1646","","10.1107/S1600536812018776","","","0.71073","MoKα","","0.0496","0.0358","","","0.0677","0.0695","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234899","11.061","0.003","7.12","0.002","14.721","0.004","90","","97.638","0.003","90","","1149.1","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one","","- C11 H13 Br O S -","- C11 H13 Br O S -","- C44 H52 Br4 O4 S4 -","4","1","BG2458","Liu, Fei; Ren, Shi-Ying; Yang, Wei-Ji","2-Bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one","Acta Crystallographica Section E","2012","68","6","o1759","","10.1107/S1600536812021472","","","0.71073","MoKα","","0.0455","0.0322","","","0.0683","0.073","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234900","11.981","0.005","13.226","0.005","25.946","0.01","90","","90","","90","","4111","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrachloridocobaltate(II)","","- C12 H32 Cl4 Co N2 -","- C12 H32 Cl4 Co N2 -","- C96 H256 Cl32 Co8 N16 -","8","1","BG2461","Azadbakht, Reza; Hadadzadeh, Hassan; Amiri Rudbari, Hadi","Bis(triethylammonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2012","68","6","m859","","10.1107/S1600536812022441","","","0.71073","MoKα","","0.1367","0.0518","","","0.0904","0.1189","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234901","6.6999","0.0006","15.248","0.002","16.1195","0.0015","90","","90","","90","","1646.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Diethylamino-2-{(<i>E</i>)-[(3-iodophenyl)imino]methyl}phenol","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C68 H76 I4 N8 O4 -","4","1","BH2429","Vesek, Hilal; Kazak, Canan; Ağar, Erbil; Gümüş, Sümeyye","5-Diethylamino-2-{(<i>E</i>)-[(3-iodophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","6","o1963","","10.1107/S1600536812022556","","","0.71073","MoKα","","0.0556","0.037","","","0.0695","0.0735","","","","","","0.862","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234902","10.293","0.002","14.484","0.003","15.708","0.003","90","","90","","90","","2341.8","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxypyridinium <i>p</i>-toluenesulfonate","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C96 H104 N8 O32 S8 -","8","1","BH2431","Jin, Yu","2-Hydroxypyridinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2012","68","6","o1669","","10.1107/S1600536812019873","","","0.71073","MoKα","","0.0557","0.0455","","","0.1054","0.111","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234903","9.613","0.0001","18.9256","0.0002","15.9563","0.0002","90","","96.037","0.001","90","","2886.86","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-Aminoacridinium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)ferrate(III) tetrahydrate","","- C27 H25 Fe N4 O12 -","- C27 H25 Fe N4 O12 -","- C108 H100 Fe4 N16 O48 -","4","1","BQ2350","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Eydizadeh, Ehsan; Yousefi, Zakieh; Molčanov, Krešimir","9-Aminoacridinium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)ferrate(III) tetrahydrate","Acta Crystallographica Section E","2012","68","6","m761","m762","10.1107/S1600536812020247","","","1.54184","CuKα","","","0.059","","","","0.1783","","","","","","1.046","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234904","15.004","0.0012","5.9722","0.0003","9.3128","0.0008","90","","92.001","0.003","90","","833.98","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[({2-[(2-Hydroxy-5-methoxybenzylidene)amino]ethyl}imino)methyl]- 4-methoxyphenol","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","BQ2353","Ourari, Ali; Baameur, Lotfi; Bouacida, Sofiane; Ouari, Kamel","2-[({2-[(2-Hydroxy-5-methoxybenzylidene)amino]ethyl}imino)methyl]-4-methoxyphenol","Acta Crystallographica Section E","2012","68","6","o1760","","10.1107/S1600536812018405","","","0.71073","MoKα","","0.0811","0.0541","","","0.1438","0.1666","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234905","14.593","0.004","11.288","0.003","17.828","0.005","90","","110.765","0.005","90","","2746","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea","","- C11 H12 Cl N3 O3 S -","- C11 H12 Cl N3 O3 S -","- C88 H96 Cl8 N24 O24 S8 -","8","2","BQ2354","Ngah, Nurziana; Kadir, Maisara; Yamin, Bohari M.; Yusof, M. Sukeri M.","1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea","Acta Crystallographica Section E","2012","68","6","o1801","","10.1107/S160053681202168X","","","0.71073","MoKα","","0.0608","0.0457","","","0.121","0.1328","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234906","8.616","0.002","9.077","0.002","10.796","0.003","73.725","0.014","86.656","0.015","76.177","0.016","787","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Methylpyrrolidine-1-carbothioamide","","- C6 H12 N2 S -","- C6 H12 N2 S -","- C24 H48 N8 S4 -","4","2","BQ2355","Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Khan, Imran","<i>N</i>-Methylpyrrolidine-1-carbothioamide","Acta Crystallographica Section E","2012","68","6","o1706","","10.1107/S1600536812020971","","","0.71073","MoKα","","0.1406","0.0787","","","0.1997","0.2618","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234907","9.2252","0.0004","17.6978","0.0008","12.8898","0.0004","90","","119.289","0.002","90","","1835.44","0.13","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-(4-Methylphenyl)-2-[(2-phenylcyclohex-2- en-1-yl)imino]-1,3-thiazolidin-4-one","","- C22 H22 N2 O S -","- C22 H22 N2 O S -","- C88 H88 N8 O4 S4 -","4","1","BQ2357","Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram","(<i>Z</i>)-3-(4-Methylphenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","6","o1796","o1797","10.1107/S1600536812021691","","","0.71073","MoKα","","0.0441","0.0353","","","0.0931","0.0999","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234908","8.5281","0.0003","25.3057","0.0012","9.4084","0.0004","90","","96.738","0.003","90","","2016.4","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(<i>E</i>)-({4-[(4-Aminophenyl)sulfonyl]phenyl}imino)methyl]phenol ethanol monosolvate","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","BQ2358","Afzal, Sadaf; Akhter, Zareen; Tahir, M. Nawaz","4-[(<i>E</i>)-({4-[(4-Aminophenyl)sulfonyl]phenyl}imino)methyl]phenol ethanol monosolvate","Acta Crystallographica Section E","2012","68","6","o1789","","10.1107/S1600536812021563","","","0.71073","MoKα","","0.104","0.0543","","","0.1191","0.138","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234909","16.696","0.0016","5.933","0.0003","13.524","0.0012","90","","117.804","0.003","90","","1184.99","0.17","298","","298","","","","","","","","","6","C 1 2 1","C 2y","5","","Aquabis[<i>N</i>'-(1,3-dithiolan-2-ylidene)-2-hydroxybenzohydrazidato(0.5-)- κ^2^<i>N</i>',<i>O</i>]sodium(I)","","- C20 H21 N4 Na O5 S4 -","- C20 H21 N4 Na O5 S4 -","- C40 H42 N8 Na2 O10 S8 -","2","0.5","BQ2359","Bouchameni, Chahra; Beghidja, Chahrazed; Beghidja, Adel; Boutebdja, Mehdi","Aquabis[<i>N</i>'-(1,3-dithiolan-2-ylidene)-2-hydroxybenzohydrazidato(0.5{-})-κ^2^<i>N</i>',<i>O</i>]sodium(I)","Acta Crystallographica Section E","2012","68","6","m827","m828","10.1107/S1600536812023239","","","0.71073","MoKα","","0.0618","0.0467","","","0.1042","0.1262","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234910","15.9798","0.0005","19.2968","0.0006","27.4387","0.0009","90","","90","","90","","8461","0.5","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","Tris(2-{[2-(4-methoxyphenyl)ethyl]iminomethyl}phenolato- κ^2^<i>N</i>,<i>O</i>^1^)cobalt(III)","","- C48 H48 Co N3 O6 -","- C48 H48 Co N3 O6 -","- C384 H384 Co8 N24 O48 -","8","1","BQ2360","Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane","Tris(2-{[2-(4-methoxyphenyl)ethyl]iminomethyl}phenolato-κ^2^<i>N</i>,<i>O</i>^1^)cobalt(III)","Acta Crystallographica Section E","2012","68","6","m803","m804","10.1107/S1600536812023033","","","0.71073","MoKα","","0.1041","0.0558","","","0.1073","0.1247","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234911","7.188","0.004","9.282","0.005","10.026","0.005","109.31","0.02","90.019","0.012","104.066","0.013","610","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Sodium pentapotassium pentanickel tetra(diphosphate)","","- K5 Na Ni5 O28 P8 -","- K5 Na Ni5 O28 P8 -","- K5 Na Ni5 O28 P8 -","1","0.5","BR2200","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Sodium pentapotassium pentanickel tetra(diphosphate), NaK~5~Ni~5~(P~2~O~7~)~4~","Acta Crystallographica Section E","2012","68","6","i43","","10.1107/S160053681202017X","","","0.71073","MoKα","","0.0313","0.0267","","","0.0683","0.0713","","","","","","1.029","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234912","8.138","0.0002","8.6259","0.0002","16.7854","0.0006","90","","90","","90","","1178.29","0.06","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Aminoethanaminium iodide","","- C2 H9 I N2 -","- C2 H9 I N2 -","- C16 H72 I8 N16 -","8","1","BR2201","Kennedy, Alan R.; Okoth, Maurice O.","2-Aminoethanaminium iodide","Acta Crystallographica Section E","2012","68","6","o1731","","10.1107/S160053681202065X","","","0.71073","MoKα","","0.0218","0.0161","","","0.0342","0.0353","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234913","9.1517","0.0016","8.1737","0.0015","9.3147","0.0017","90","","98.86","0.003","90","","688.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipotassium diaquabis(diphosphato)triferrate(II)","","- Fe3 H4 K2 O16 P4 -","- Fe3 H4 K2 O16 P4 -","- Fe6 H8 K4 O32 P8 -","2","0.5","BR2202","Yang, Juan; Zhang, Xin; Liu, Biao; Sun, Wei; Huang, Ya-Xi","K~2~[Fe^II^~3~(P~2~O~7~)~2~(H~2~O)~2~]","Acta Crystallographica Section E","2012","68","6","i47","i48","10.1107/S1600536812021484","","","0.71073","MoKα","","0.0354","0.0319","","","0.0721","0.0741","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234914","5.4168","0.001","10.1048","0.0019","12.183","0.002","90","","100.199","0.003","90","","656.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","manganese(II) dibarium bis(hydrogenphosphate) bis(dihydrogenphosphate)","","- Ba2 H6 Mn O16 P4 -","- Ba2 H6 Mn O16 P4 -","- Ba4 H12 Mn2 O32 P8 -","2","0.5","BR2203","Sun, Wei; Sun, Li-Zhi; Zhu, Teng-Teng; Zhao, Biao-Chun; Mi, Jin-Xiao","MnBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~","Acta Crystallographica Section E","2012","68","6","i49","","10.1107/S1600536812022775","","","0.71073","MoKα","","0.0253","0.0245","","","0.0741","0.075","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234915","19.2845","0.0004","3.86753","0.00008","15.643","0.0003","90","","90","","90","","1166.71","0.04","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl 2-(thiophene-2-carboxamido)benzoate","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","1","BT5852","Singh, Durga Prasad; Pratap, Seema; Butcher, Ray J.; Gupta, Sushil K.","Methyl 2-(thiophene-2-carboxamido)benzoate","Acta Crystallographica Section E","2012","68","6","o1765","","10.1107/S160053681202082X","","","1.54184","CuKα","","0.0344","0.0332","","","0.088","0.0901","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234916","8.8683","0.0002","9.3246","0.0002","11.9259","0.0003","75.2","0.002","76.453","0.002","65.142","0.001","856.04","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (<i>E</i>)-2-({2-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)- 3-(4-methylphenyl)acrylate","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","BT5884","Ganesh, G.; Srinivasan, J.; Govindan, E.; Bakthadoss, M.; SubbiahPandi, A.","Methyl (<i>E</i>)-2-({2-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)-3-(4-methylphenyl)acrylate","Acta Crystallographica Section E","2012","68","6","o1617","","10.1107/S1600536812019046","","","0.71073","MoKα","","0.0613","0.0452","","","0.1192","0.1315","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234917","13.7954","0.0014","13.8916","0.0013","27.848","0.002","99.892","0.01","90.547","0.011","91.269","0.011","5255.7","0.8","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis[μ-1,2-bis(pyridin-4-yl)ethene- κ^2^<i>N</i>:<i>N</i>']bis(thiocyanato-κ<i>N</i>)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate]","","- C38 H30 Co N8 S2 -","- C38 H30 Co N8 S2 -","- C228 H180 Co6 N48 S12 -","6","3","BT5886","Wöhlert, Susanne; Jess, Inke; Näther, Christian","A triclinic polymorph of poly[[bis[μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']bis(thiocyanato-κ<i>N</i>)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate]","Acta Crystallographica Section E","2012","68","6","m733","m734","10.1107/S1600536812019009","","","0.71073","MoKα","","0.0804","0.0541","","","0.1551","0.166","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234918","13.0439","0.0006","12.8557","0.0008","15.1294","0.0007","90","","110.191","0.005","90","","2381.1","0.2","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)nickel(II)","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C96 H80 N40 Ni4 -","4","1","BT5887","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","6","m745","","10.1107/S1600536812019691","","","0.71073","MoKα","","0.0476","0.0359","","","0.085","0.0919","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234919","19.1126","0.0005","8.4086","0.0002","11.0715","0.0003","90","","91.5691","0.0015","90","","1778.64","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Hexyl-3-(4-hydroxy-3,5-dimethoxyphenyl)propanamide","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C68 H108 N4 O16 -","4","1","BT5889","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.","<i>N</i>-Hexyl-3-(4-hydroxy-3,5-dimethoxyphenyl)propanamide","Acta Crystallographica Section E","2012","68","6","o1603","o1604","10.1107/S1600536812019022","","","0.71073","MoKα","","0.0912","0.0479","","","0.1414","0.1724","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234920","8.3369","0.0004","17.363","0.0006","28.6382","0.001","90","","93.189","0.001","90","","4139.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-4-hydroxy-3-sulfonatobenzoato- κ^2^<i>O</i>^3^:<i>O</i>^1^] sesquihydrate]","","- C19 H19 Co N2 O9.5 S -","- C19 H19 Co N2 O9.5 S -","- C152 H152 Co8 N16 O76 S8 -","8","1","BT5892","Fang, Xiang-Qian; Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-4-hydroxy-3-sulfonatobenzoato-κ^2^<i>O</i>^3^:<i>O</i>^1^] sesquihydrate]","Acta Crystallographica Section E","2012","68","6","m721","","10.1107/S1600536812018752","","","0.71073","MoKα","","0.0414","0.0354","","","0.0913","0.0957","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234921","8.3682","0.0003","17.3251","0.0006","28.6686","0.001","90","","92.848","0.001","90","","4151.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-4-hydroxy-3-sulfonatobenzoato-κ^2^<i>O</i>^3^:<i>O</i>^1^] sesquihydrate]","","- C19 H19 N2 O9.5 S Zn -","- C19 H19 N2 O9.5 S Zn -","- C152 H152 N16 O76 S8 Zn8 -","8","1","BT5893","Fang, Xiang-Qian; Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-4-hydroxy-3-sulfonatobenzoato-κ^2^<i>O</i>^3^:<i>O</i>^1^] sesquihydrate]","Acta Crystallographica Section E","2012","68","6","m722","","10.1107/S1600536812018740","","","0.71073","MoKα","","0.074","0.0347","","","0.0729","0.1041","","","","","","1.156","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234922","15.0665","0.0005","9.4818","0.0003","34.67","0.0013","90","","90.796","0.003","90","","4952.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]pyridine-3-carboxylate <i>n</i>-hexane hemisolvate","","- C25 H36 N O3 S -","- C25 H36 N O3 S -","- C200 H288 N8 O24 S8 -","8","2","BT5894","Ariffin, Azhar; Nordin, Nordiana; Yehye, Wagee A.; Ng, Seik Weng","Methyl 2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]pyridine-3-carboxylate <i>n</i>-hexane hemisolvate","Acta Crystallographica Section E","2012","68","6","o1605","","10.1107/S1600536812018739","","","0.71073","MoKα","","0.0653","0.0468","","","0.1017","0.1128","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234923","16.3246","0.001","15.3063","0.0011","16.5084","0.001","90","","90","","90","","4124.9","0.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[(tetraaquacadmium)-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] 4-hydroxy-3-sulfonatobenzoate monohydrate]","","- C17 H22 Cd N2 O11 S -","- C17 H22 Cd N2 O11 S -","- C136 H176 Cd8 N16 O88 S8 -","8","1","BT5895","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[(tetraaquacadmium)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-hydroxy-3-sulfonatobenzoate monohydrate]","Acta Crystallographica Section E","2012","68","6","m715","","10.1107/S1600536812018727","","","0.71073","MoKα","","0.0495","0.0327","","","0.0817","0.0897","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234924","8.3072","0.0005","8.5468","0.0005","13.6969","0.0009","81.293","0.003","79.67","0.003","78.888","0.003","931.88","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-[1-(4-Methoxyphenyl)-2-nitrobutyl]-4-phenyl-1,2,3-selenadiazole","","- C19 H19 N3 O3 Se -","- C19 H19 N3 O3 Se -","- C38 H38 N6 O6 Se2 -","2","1","BT5896","Sugumar, P.; Sankari, S.; Manisankar, P.; Ponnuswamy, M. N.","5-[1-(4-Methoxyphenyl)-2-nitrobutyl]-4-phenyl-1,2,3-selenadiazole","Acta Crystallographica Section E","2012","68","6","o1784","","10.1107/S1600536812020752","","","0.71073","MoKα","","0.0464","0.0312","","","0.0744","0.0799","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234925","7.8169","0.0001","23.9721","0.0003","8.0559","0.0001","90","","99.748","0.001","90","","1487.78","0.03","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(3-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran","","- C16 H12 F I O2 S -","- C16 H12 F I O2 S -","- C64 H48 F4 I4 O8 S4 -","4","1","BT5901","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(3-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","6","o1612","","10.1107/S1600536812018697","","","0.71073","MoKα","","0.0231","0.0212","","","0.0515","0.0523","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234926","8.545","0.002","10.699","0.003","11.215","0.003","76.903","0.005","87.833","0.005","77.16","0.005","973.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(acetato-κ^2^<i>O</i>,<i>O</i>')aquacadmium]-μ- [(pyridin-3-yl)(pyridin-4-yl)methanone]-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C15 H20 Cd N2 O8 -","- C15 H20 Cd N2 O8 -","- C30 H40 Cd2 N4 O16 -","2","1","BT5902","Wang, Zhi-Wei; Li, Ai-Min; Zhang, Ya","<i>catena</i>-Poly[[[bis(acetato-κ^2^<i>O</i>,<i>O</i>')aquacadmium]-μ-[(pyridin-3-yl)(pyridin-4-yl)methanone]-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","Acta Crystallographica Section E","2012","68","6","m723","","10.1107/S1600536812019101","","","0.71073","MoKα","","0.0428","0.0334","","","0.0782","0.084","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234927","18.7735","0.001","10.8439","0.0006","28.7173","0.0016","90","","90","","90","","5846.2","0.6","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","{5,10,15,20-Tetrakis[4-(hexyloxy)phenyl]porphyrinato}nickel(II)","","- C68 H76 N4 Ni O4 -","- C68 H76 N4 Ni O4 -","- C272 H304 N16 Ni4 O16 -","4","0.5","BT5904","Wang, Yu-Fang; Zhao, Hong-Bin; Chen, Liang; Yang, De-Liang; Wang, Bang-Ying","{5,10,15,20-Tetrakis[4-(hexyloxy)phenyl]porphyrinato}nickel(II)","Acta Crystallographica Section E","2012","68","6","m814","","10.1107/S160053681202226X","","","0.71073","MoKα","","0.0751","0.0558","","","0.1408","0.156","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234928","18.3852","0.0013","11.8312","0.0005","7.4609","0.0005","90","","112.346","0.008","90","","1501.02","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]","","- C14 H12 Br2 N2 Pb -","- C14 H12 Br2 N2 Pb -","- C56 H48 Br8 N8 Pb4 -","4","0.5","BT5905","Sabour, Behrous; Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","<i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]","Acta Crystallographica Section E","2012","68","6","m729","","10.1107/S160053681201940X","","","0.71073","MoKα","","0.0279","0.0255","","","0.0571","0.0584","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234929","17.8782","0.0013","8.0447","0.0006","23.466","0.0017","90","","97.605","0.002","90","","3345.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-3-(2-methylphenyl)-3a-nitro-1,2,3,3a,4,9b- hexahydrochromeno[4,3-<i>b</i>]pyrrole","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","2","BT5906","Sundaramoorthy, S.; Sivakumar, N.; Bakthadoss, M.; Velmurugan, D.","1-Methyl-3-(2-methylphenyl)-3a-nitro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-<i>b</i>]pyrrole","Acta Crystallographica Section E","2012","68","6","o1735","","10.1107/S1600536812020338","","","0.71073","MoKα","","0.0821","0.0491","","","0.1259","0.149","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234930","12.8936","0.0005","6.7051","0.0002","15.3753","0.0005","90","","93.858","0.003","90","","1326.23","0.08","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Decachlorohexa-1,5-diene","","- C6 Cl10 -","- C6 Cl10 -","- C24 Cl40 -","4","1","BT5907","Schollmeyer, Dieter; Detert, Heiner","Decachlorohexa-1,5-diene","Acta Crystallographica Section E","2012","68","6","o1685","","10.1107/S1600536812019769","","","0.71069","MoKα","","0.0314","0.0295","","","0.073","0.0746","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234931","12.0421","0.0002","16.9085","0.0002","15.9316","0.0002","90","","101.243","0.001","90","","3181.64","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Dibenzyl-5,5''-dichloro-1,1'',2,2''-tetrahydrodispiro[indole-3,7'- [6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","","- C38 H34 Cl2 N4 O2 -","- C38 H34 Cl2 N4 O2 -","- C152 H136 Cl8 N16 O8 -","4","1","BT5908","Al Mamari, Khalil; Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","1,1'-Dibenzyl-5,5''-dichloro-1,1'',2,2''-tetrahydrodispiro[indole-3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","Acta Crystallographica Section E","2012","68","6","o1664","","10.1107/S1600536812019678","","","0.71073","MoKα","","0.0559","0.0377","","","0.0983","0.1118","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234932","7.6658","0.0002","9.8948","0.0004","13.5722","0.0006","69.485","0.004","83.159","0.003","67.9","0.003","893.25","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-(Dimethylamino)pyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","","- C13 H15 Cl4 N3 O2 Sn -","- C13 H15 Cl4 N3 O2 Sn -","- C26 H30 Cl8 N6 O4 Sn2 -","2","1","BT5909","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","4-(Dimethylamino)pyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2012","68","6","m744","","10.1107/S160053681201968X","","","0.71073","MoKα","","0.0242","0.0203","","","0.0462","0.0485","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234933","25.684","0.006","9.911","0.002","16.739","0.004","90","","112.646","0.005","90","","3932.5","1.5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3-(1,2-Di-p-tolyl-vinyl)-2-methyl-1H-indole","3-(1,2-Di-<i>p</i>-tolylvinyl)-2-methyl-1<i>H</i>-indole","","- C25 H23 N -","- C25 H23 N -","- C200 H184 N8 -","8","1","BT5910","Senthamizhselvi, R.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.; Illangovan, K.","3-(1,2-Di-<i>p</i>-tolylvinyl)-2-methyl-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","6","o1815","","10.1107/S1600536812021617","","","0.71073","MoKα","","0.0878","0.05","","","0.1334","0.159","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234934","19.383","0.003","19.383","","17.546","0.002","90","","90","","120","","5708.9","1.1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[(2<i>E</i>)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido- κ^2^<i>N</i>^1^,<i>N</i>^3^]cobalt(III)","","- C36 H24 Cl6 Co N9 -","- C36 H24 Cl6 Co N9 -","- C216 H144 Cl36 Co6 N54 -","6","0.333333","BT5911","Yu, Gang; Zhan, Shu-Zhong; Ng, Seik Weng","Tris[(2<i>E</i>)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido-κ^2^<i>N</i>^1^,<i>N</i>^3^]cobalt(III)","Acta Crystallographica Section E","2012","68","6","m758","","10.1107/S1600536812020569","","","0.71073","MoKα","","0.1085","0.0531","","","0.1276","0.159","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234935","11.7784","0.0007","11.9072","0.0009","12.4494","0.001","107.928","0.007","112.834","0.007","104.536","0.006","1387.7","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","1-Isopropyl-4,7-dimethyl-2,8-dinitronaphthalene","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","2","BT5912","Chakkar, Mouna; Oughris, Najia; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha","1-Isopropyl-4,7-dimethyl-2,8-dinitronaphthalene","Acta Crystallographica Section E","2012","68","6","o1893","","10.1107/S1600536812021514","","","0.71073","MoKα","","0.0662","0.0562","","","0.1447","0.1521","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234936","26.206","0.001","26.206","0.001","7.441","0.002","90","","90","","120","","4425.5","1.2","295","2","295","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","2,3-Dihydropyrrolo[2,1-<i>b</i>]quinazoline-9(1<i>H</i>)-thione","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C198 H180 N36 S18 -","18","1","BT5913","Nasrullayev, Azizbek O.; Elmuradov, Burkhon Zh.; Turgunov, Kambarali K.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M.","2,3-Dihydropyrrolo[2,1-<i>b</i>]quinazoline-9(1<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1746","","10.1107/S1600536812021228","","","1.54184","CuKα","","0.0316","0.0292","","","0.0764","0.0778","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234937","10.415","0.0001","5.0631","0.0001","18.6564","0.0003","90","","96.857","0.001","90","","976.76","0.03","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one","","- C10 H8 N4 O S -","- C10 H8 N4 O S -","- C40 H32 N16 O4 S4 -","4","1","BT5914","Al-Salahi, Rashad; Al-Omar, Mohamed; Abbas, Mohammed; Ng, Seik Weng","2-Methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1805","","10.1107/S1600536812021757","","","1.54184","CuKα","","0.031","0.0303","","","0.0883","0.0894","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234938","9.6216","0.0002","4.9206","0.0001","12.1623","0.0003","90","","106.628","0.002","90","","551.73","0.02","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Methylsulfonyl-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one","","- C10 H8 N4 O3 S -","- C10 H8 N4 O3 S -","- C20 H16 N8 O6 S2 -","2","1","BT5915","Al-Salahi, Rashad; Marzouk, Mohamed; Abbas, Mohammed; Ng, Seik Weng","2-Methylsulfonyl-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1806","","10.1107/S1600536812021769","","","1.54184","CuKα","","0.0311","0.0299","","","0.0807","0.082","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234939","12.6386","0.0003","10.7464","0.0003","8.6317","0.0003","90","","102.459","0.003","90","","1144.74","0.06","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2-methylsulfonyl-1,2,4-triazolo[1,5-<i>a</i>]quinazoline","","- C10 H7 Cl N4 O2 S -","- C10 H7 Cl N4 O2 S -","- C40 H28 Cl4 N16 O8 S4 -","4","1","BT5916","Al-Salahi, Rashad; Al-Omar, Mohamed; Marzouk, Mohamed; Ng, Seik Weng","5-Chloro-2-methylsulfonyl-1,2,4-triazolo[1,5-<i>a</i>]quinazoline","Acta Crystallographica Section E","2012","68","6","o1809","","10.1107/S1600536812021770","","","1.54184","CuKα","","0.0405","0.0373","","","0.1086","0.113","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234940","5.6985","0.0002","8.4328","0.0004","13.4322","0.0007","74.087","0.004","86.623","0.004","89.284","0.004","619.66","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-Phenoxy-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one","","- C15 H10 N4 O2 -","- C15 H10 N4 O2 -","- C30 H20 N8 O4 -","2","1","BT5917","Al-Salahi, Rashad; Nabih, Lolak; Al-Omar, Mohamed; Ng, Seik Weng","2-Phenoxy-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1808","","10.1107/S1600536812021782","","","1.54184","CuKα","","0.0366","0.0349","","","0.1006","0.1029","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234941","6.3025","0.0005","10.8353","0.0005","11.0144","0.0007","101.728","0.005","102.419","0.006","101.693","0.005","694.95","0.08","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","3-Benzyl-8-methoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C32 H28 N4 O4 S2 -","2","1","BT5918","Al-Salahi, Rashad; Al-Omar, Mohamed; Marzouk, Mohamed; Ng, Seik Weng","3-Benzyl-8-methoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section E","2012","68","6","o1807","","10.1107/S1600536812021794","","","1.54184","CuKα","","0.0393","0.0376","","","0.1118","0.1141","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234942","8.9823","0.0003","13.7271","0.0003","8.3137","0.0002","90","","92.882","0.003","90","","1023.79","0.05","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C44 H40 N8 O4 S4 -","4","1","BT5919","Al-Salahi, Rashad; Al-Omar, Mohamed; Marzouk, Mohamed; Ng, Seik Weng","3-(Prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section E","2012","68","6","o1810","","10.1107/S1600536812021800","","","1.54184","CuKα","","0.0422","0.0365","","","0.1007","0.1075","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234943","4.5861","0.0002","11.0475","0.0004","22.5594","0.0009","89.196","0.003","88.073","0.003","81.128","0.003","1128.61","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11- pentaen-3-yl)thiourea","","- C13 H9 N3 O2 S -","- C13 H9 N3 O2 S -","- C52 H36 N12 O8 S4 -","4","2","BT5920","Al-Salahi, Rashad; Al-Omar, Mohamed; Marzouk, Mohamed; Ng, Seik Weng","<i>N</i>-[2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11-pentaen-3-yl]thiourea","Acta Crystallographica Section E","2012","68","6","o1811","","10.1107/S1600536812021812","","","1.54184","CuKα","","0.0704","0.0647","","","0.1892","0.1957","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234944","9.4113","0.0019","18.424","0.004","9.3362","0.0019","90","","112.59","0.03","90","","1494.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc","","- C14 H12 Br2 N2 Zn -","- C14 H12 Br2 N2 Zn -","- C56 H48 Br8 N8 Zn4 -","4","1","BT5921","Dehghani, Ali; M. Amini, Mostafa; Najafi, Ezzatollah; Tadjarodi, Azadeh; Notash, Behrouz","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc","Acta Crystallographica Section E","2012","68","6","m811","","10.1107/S1600536812022738","","","0.71073","MoKα","","0.1062","0.0497","","","0.0858","0.0999","","","","","","0.948","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234945","13.322","0.003","13.017","0.003","7.1912","0.0016","90","","105.308","0.004","90","","1202.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-6-(4-fluorophenyl)-7<i>H</i>-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","","- C12 H11 F N4 S -","- C12 H11 F N4 S -","- C48 H44 F4 N16 S4 -","4","1","BT5922","Jeyaseelan, S.; Devarajegowda, H. C.; Sathishkumar, R.; D'souza, Agnes Sylvia; D'souza, Alphonsus","3-Ethyl-6-(4-fluorophenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2012","68","6","o1860","","10.1107/S160053681202185X","","","0.71073","MoKα","","0.0475","0.0409","","","0.1025","0.1057","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234946","8.5315","0.0003","15.1772","0.0006","5.6107","0.0002","90","","90","","90","","726.5","0.05","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3,3'-Carbonyldipyridinium diperchlorate","","- C11 H10 Cl2 N2 O9 -","- C11 H10 Cl2 N2 O9 -","- C22 H20 Cl4 N4 O18 -","2","0.5","BT5923","Zhang, Ya; Li, Ai-min; Wang, Zhi-wei; Wan, Chong-Qing","3,3'-Carbonyldipyridinium bis(perchlorate)","Acta Crystallographica Section E","2012","68","6","o1896","","10.1107/S1600536812022817","","","0.71073","MoKα","","0.029","0.0277","","","0.0722","0.0733","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234947","4.7672","0.0009","6.297","0.001","19.135","0.003","87.24","0.01","83.95","0.01","88.28","0.02","570.37","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Chloro-2-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C22 H24 Cl2 N2 O6 -","2","1","BT5924","Gowda, B. Thimme; Foro, Sabine; Chaithanya, U.","<i>N</i>-(3-Chloro-2-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","6","o1869","","10.1107/S1600536812022763","","","0.71073","MoKα","","0.0914","0.0641","","","0.1136","0.127","","","","","","1.197","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234948","8.2422","0.0001","13.9124","0.0002","15.4685","0.0003","90","","93.855","0.001","90","","1769.74","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Chloro-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-5-yl)-2-methylpropanenitrile","","- C19 H17 Cl N4 -","- C19 H17 Cl N4 -","- C76 H68 Cl4 N16 -","4","1","BT5925","Wolińska, Ewa; Karczmarzyk, Zbigniew; Rykowski, Andrzej; Urbańczyk-Lipkowska, Zofia; Kalicki, Przemysław","2-(3-Chloro-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-5-yl)-2-methylpropanenitrile","Acta Crystallographica Section E","2012","68","6","o1938","","10.1107/S1600536812023252","","","1.54178","CuKα","","0.0393","0.0369","","","0.1075","0.1103","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234949","25.265","0.008","8.929","0.003","12.584","0.004","90","","90","","90","","2838.8","1.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl 2-(but-3-enyl)-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxylate","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","BT5926","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Danish, Muhammad; Holman, K. Travis","Methyl 2-(but-3-enyl)-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2012","68","6","o1926","","10.1107/S1600536812022908","","","0.71073","MoKα","","0.0613","0.0423","","","0.0988","0.1087","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234950","11.2111","0.0009","12.033","0.001","12.5409","0.001","62.287","0.009","88.983","0.01","88.949","0.01","1497.4","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(pyridazine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II) pyridazine disolvate","","- C26 H24 N14 Ni S2 -","- C26 H24 N14 Ni S2 -","- C52 H48 N28 Ni2 S4 -","2","1","BT5930","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Tetrakis(pyridazine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II) pyridazine disolvate","Acta Crystallographica Section E","2012","68","6","m793","","10.1107/S1600536812023306","","","0.71073","MoKα","","0.0502","0.0321","","","0.0781","0.0841","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234951","9.746","0.003","6.077","0.003","20.797","0.007","90","","90","","90","","1231.7","0.8","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-<i>N</i>-(2-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BT5935","Rodrigues, Vinola Z.; Gowda, B. Thimme; Sivý, Július; Vrábel, Viktor; Kožíšek, Jozef","2-Chloro-<i>N</i>-(2-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","6","o1936","","10.1107/S1600536812023902","","","0.71073","MoKα","","0.1218","0.068","","","0.128","0.1474","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234952","8.1532","0.0016","9.2582","0.0019","14.108","0.005","90","","108.02","0.03","90","","1012.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(butan-1-aminium) naphthalene-1,5-disulfonate","","- C18 H30 N2 O6 S2 -","- C18 H30 N2 O6 S2 -","- C36 H60 N4 O12 S4 -","2","0.5","BX2406","Jin, Yu","Bis(butan-1-aminium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","6","o1595","","10.1107/S1600536812018880","","","0.71073","MoKα","","0.0445","0.0379","","","0.0909","0.0936","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234953","6.3663","0.0002","13.2868","0.0009","9.1019","0.0002","90","","103.755","0.001","90","","747.83","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyanopyridinium nitrate","","- C6 H5 N3 O3 -","- C6 H5 N3 O3 -","- C24 H20 N12 O12 -","4","1","BX2407","Zheng, Wen-Ni","4-Cyanopyridinium nitrate","Acta Crystallographica Section E","2012","68","6","o1695","","10.1107/S1600536812020697","","","0.71073","MoKα","","0.0635","0.0504","","","0.1375","0.1463","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234954","4.4949","0.0002","14.9891","0.0009","15.1357","0.0008","90","","90","","90","","1019.76","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9,10-Dihydro-7<i>H</i>-benzo[<i>de</i>]imidazo[2,1-<i>a</i>]isoquinolin-7-one","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","BX2409","Chen, Yu Mei; Shi, Jian Chao","9,10-Dihydro-7<i>H</i>-benzo[<i>de</i>]imidazo[2,1-<i>a</i>]isoquinolin-7-one","Acta Crystallographica Section E","2012","68","6","o1886","","10.1107/S1600536812022921","","","0.71073","MoKα","","0.1238","0.0746","","","0.1788","0.202","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234955","9.295","0.001","9.7861","0.0011","14.3819","0.0015","79.971","0.001","74.718","0.001","85.745","0.002","1242.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>'){<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]-<i>L</i>-valinato-κ<i>O</i>}copper(II) trihydrate","","- C26 H29 Cu N3 O6 -","- C26 H29 Cu N3 O6 -","- C52 H58 Cu2 N6 O12 -","2","1","BX2410","Zuo, Jian; Bi, Caifeng; Fan, Yuhua; Zhang, Nan; Zhang, Pengfei","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>'){<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]-<small>L</small>-valinato-κ<i>O</i>}copper(II) trihydrate","Acta Crystallographica Section E","2012","68","6","m792","","10.1107/S1600536812022702","","","0.71073","MoKα","","0.0626","0.0391","","","0.0838","0.0969","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234956","8.8135","0.0004","8.9469","0.0004","18.3067","0.0009","79.077","0.001","78.218","0.001","69.8","0.001","1315.05","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-(22,24-dimethyl-23-oxo-8,11,14-trioxa-25- azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18- hexaen-25-yl)but-2-enedioate","","- C29 H33 N O8 -","- C29 H33 N O8 -","- C58 H66 N2 O16 -","2","1","CV5289","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.","Dimethyl 2-[22,24-dimethyl-23-oxo-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate","Acta Crystallographica Section E","2012","68","6","o1588","o1589","10.1107/S1600536812018867","","","0.71073","MoKα","","0.0542","0.0436","","","0.1112","0.1173","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234957","18.1","0.004","9.1763","0.0018","15.151","0.003","90","","102.06","0.03","90","","2460.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(3-methylpiperidinium) naphthalene-1,5-disulfonate","","- C22 H34 N2 O6 S2 -","- C22 H34 N2 O6 S2 -","- C88 H136 N8 O24 S8 -","4","0.5","CV5290","Xu, Qian","Bis(3-methylpiperidinium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","6","o1687","","10.1107/S160053681202003X","","","0.71073","MoKα","","0.0968","0.0566","","","0.1312","0.1513","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234958","7.6684","0.0008","10.0717","0.001","10.6748","0.0011","87.199","0.008","78.332","0.008","70.569","0.008","761.28","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-{[(2,3-Dihydro-1<i>H</i>-inden-2-yl)oxy]methyl}quinazoline- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","CV5291","El-Brollosy, Nasser R.; Dege, Necmi; Demirtaş, Güneş; Attia, Mohamed I.; El-Emam, Ali A.; Büyükgüngör, Orhan","1-{[(2,3-Dihydro-1<i>H</i>-inden-2-yl)oxy]methyl}quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","6","o1866","o1867","10.1107/S1600536812022350","","","0.71073","MoKα","","0.0803","0.0441","","","0.092","0.1028","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234959","8.2666","0.001","10.9027","0.0013","12.6734","0.0016","90","","93.986","0.002","90","","1139.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(2,2'-bi-1<i>H</i>-imidazole)manganese(II) benzene-1,4-dicarboxylate","","- C20 H20 Mn N8 O6 -","- C20 H20 Mn N8 O6 -","- C40 H40 Mn2 N16 O12 -","2","0.5","CV5293","Yang, Lining; Zhi, Yanxiang; Hei, Jiahui; Miao, Yanqing","Diaquabis(2,2'-bi-1<i>H</i>-imidazole)manganese(II) benzene-1,4-dicarboxylate","Acta Crystallographica Section E","2012","68","6","m829","","10.1107/S160053681202199X","","","0.71073","MoKα","","0.034","0.0271","","","0.0721","0.0748","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234960","13.1299","0.0009","12.5047","0.0008","13.995","0.0009","90","","101.59","0.02","90","","2250.9","0.3","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Quetiapine <i>N</i>-oxide‒fumaric acid (2/1)","2-{2-[4-(dibenzo[<i>b</i>,<i>f</i>][1,4]thiazepin-11-yl)piperazin-1-yl 1-oxide]ethoxy}ethanol‒fumaric acid (2/1)","","- C46 H54 N6 O10 S2 -","- C46 H54 N6 O10 S2 -","- C92 H108 N12 O20 S4 -","2","0.5","CV5294","Shen, Jin; Qian, Jing-Jing; Wu, Su-Xiang; Gu, Jian-Ming; Hu, Xiu-Rong","Quetiapine <i>N</i>-oxide‒fumaric acid (2/1)","Acta Crystallographica Section E","2012","68","6","o1753","o1754","10.1107/S1600536812020818","","","0.71073","MoKα","","0.1167","0.0699","","","0.1623","0.1933","","","","","","1.003","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2234961","8.9732","0.0005","5.9114","0.0003","15.8489","0.0007","90","","99.529","0.005","90","","829.09","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Bromophenyl)acetic acid","","- C8 H7 Br O2 -","- C8 H7 Br O2 -","- C32 H28 Br4 O8 -","4","1","CV5295","Kant, Rajni; Kapoor, Kamini; Narayana, B.","2-(2-Bromophenyl)acetic acid","Acta Crystallographica Section E","2012","68","6","o1704","","10.1107/S1600536812020545","","","0.71073","MoKα","","0.0583","0.0415","","","0.0882","0.0962","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234962","9.395","0.0019","9.5611","0.0019","13.805","0.003","103.27","0.02","99.91","0.03","104.76","0.03","1131.5","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis(1<i>H</i>-benzimidazol-2-yl)pyridine butyric acid monosolvate dihydrate","","- C23 H25 N5 O4 -","- C23 H25 N5 O4 -","- C46 H50 N10 O8 -","2","1","CV5296","Lin, Songzhu; Jia, Ruokun; He, Aimin","2,6-Bis(1<i>H</i>-benzimidazol-2-yl)pyridine butyric acid monosolvate dihydrate","Acta Crystallographica Section E","2012","68","6","o1820","","10.1107/S1600536812021915","","","0.71073","MoKα","","0.0537","0.0453","","","0.1367","0.1442","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234963","26.53","0.015","4.785","0.002","11.81","0.007","90","","102.85","0.02","90","","1461.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(3-Bromopropoxy)phenyl]-2-<i>p</i>-tolyldiazene","","- C16 H17 Br N2 O -","- C16 H17 Br N2 O -","- C64 H68 Br4 N8 O4 -","4","1","CV5298","Yu, Zhen-Xiang; Li, Bao","(<i>E</i>)-1-[4-(3-Bromopropoxy)phenyl]-2-<i>p</i>-tolyldiazene","Acta Crystallographica Section E","2012","68","6","o1761","","10.1107/S1600536812021538","","","0.71073","MoKα","","0.1063","0.0564","","","0.1523","0.1803","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234964","5.0804","0.001","17.345","0.004","11.576","0.002","90","","95.41","0.03","90","","1015.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfonyl-4-(trifluoromethyl)benzoic acid","","- C9 H7 F3 O4 S -","- C9 H7 F3 O4 S -","- C36 H28 F12 O16 S4 -","4","1","CV5300","Yao, Lin-Shan; We, Bo; Gao, Jin-Sheng","2-Methylsulfonyl-4-(trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2012","68","6","o1856","","10.1107/S160053681202243X","","","0.71073","MoKα","","0.0517","0.044","","","0.1171","0.123","","","","","","1.105","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234965","8.4884","0.0003","8.9834","0.0003","27.088","0.0008","90","","96.5","0.002","90","","2052.31","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Nitrostyryl)-<i>N</i>,<i>N</i>-diphenylaniline","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","CV5302","Zhang, Zhi-Wen; Liu, Yan-Qiu; Zhu, Yu-Chao; Wu, Jie-Ying","4-(4-Nitrostyryl)-<i>N</i>,<i>N</i>-diphenylaniline","Acta Crystallographica Section E","2012","68","6","o1933","","10.1107/S1600536812023719","","","0.71073","MoKα","","0.0954","0.0565","","","0.1538","0.185","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234966","11.5203","0.0014","8.7228","0.0012","13.5793","0.0019","90","","106.889","0.002","90","","1305.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(3-Hydroxybenzylidene)-4-methylbenzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","CV5303","Liu, Ji-Lai; Sun, Ming-Hui; Ma, Jing-Jun","<i>N</i>'-(3-Hydroxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1816","","10.1107/S1600536812021897","","","0.71073","MoKα","","0.1499","0.0568","","","0.1187","0.1602","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234967","7.845","0.011","8.94","0.012","11.116","0.015","99.5","0.02","99.76","0.02","106.7","0.02","716.8","1.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-Hydroxy-1,3-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole-5- carboximidamide","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C32 H32 N8 O2 -","2","1","DS2183","Chandra; Srikantamurthy, N.; Umesha, K. B.; Jeyaseelan, S.; Mahendra, M.","(<i>E</i>)-<i>N</i>'-Hydroxy-1,3-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole-5-carboximidamide","Acta Crystallographica Section E","2012","68","6","o1661","o1662","10.1107/S1600536812019630","","","0.71073","MoKα","","0.0697","0.0534","","","0.1539","0.172","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234968","5.227","0.005","7.364","0.005","17.493","0.005","90","0.005","95.232","0.005","90","0.005","670.5","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-Alanine‒(<i>S</i>)-2-phenoxypropionic acid (1/1)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","DS2190","Amimoto, Kiichi; Nishioka, Yuma","(<i>S</i>)-Alanine‒(<i>S</i>)-2-phenoxypropionic acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1720","","10.1107/S1600536812020727","","","0.71069","MoKα","","0.0298","0.0294","","","","0.0812","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234969","18.9008","0.0007","9.9828","0.0004","9.5924","0.0004","90","","102.224","0.004","90","","1768.89","0.12","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Amino-<i>N</i>-benzyl-6-(4-fluorophenyl)thieno[2,3-<i>b</i>]pyridine-2- carboxamide","","- C21 H16 F N3 O S -","- C21 H16 F N3 O S -","- C84 H64 F4 N12 O4 S4 -","4","1","DS2191","Zhao, Jin-Ni; Yang, Sheng-Yong; Yang, Li","3-Amino-<i>N</i>-benzyl-6-(4-fluorophenyl)thieno[2,3-<i>b</i>]pyridine-2-carboxamide","Acta Crystallographica Section E","2012","68","6","o1823","","10.1107/S160053681202212X","","","0.7107","MoKα","","0.0649","0.0435","","","0.0936","0.1039","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234970","23.134","0.005","9.997","0.002","7.7214","0.0015","90","","107.9","0.03","90","","1699.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Methylpiperidinium bromide","","- C6 H14 Br N O0 -","- C6 H14 Br N -","- C48 H112 Br8 N8 -","8","1","DS2192","Xu, Qian","3-Methylpiperidinium bromide","Acta Crystallographica Section E","2012","68","6","o1654","","10.1107/S160053681201971X","","","0.71073","MoKα","","0.0738","0.0425","","","0.0818","0.0912","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234971","10.11","0.02","10.87","0.03","11.64","0.03","94.73","0.04","92.07","0.03","92.05","0.04","1273","5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(5-Benzoyl-2-methyl-4-{[1-(pyridin-4-yl)-1<i>H</i>-1,2,3-triazol-4- yl]methoxy}-1-benzofuran-7-yl)(phenyl)methanone","","- C31 H22 N4 O4 -","- C31 H22 N4 O4 -","- C62 H44 N8 O8 -","2","1","DS2193","Zhang, Xiao-qin; Zhang, Hai-Liang; Dong, Zhu-Yong; Qian, Qiang; Wang, Yu-Guang","(5-Benzoyl-2-methyl-4-{[1-(pyridin-4-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}-1-benzofuran-7-yl)(phenyl)methanone","Acta Crystallographica Section E","2012","68","6","o1916","","10.1107/S1600536812023720","","","0.71073","MoKα","","0.102","0.0529","","","0.1522","0.2003","","","","","","0.845","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234972","11.2812","0.0004","9.345","0.0004","13.412","0.0005","90","","104.176","0.003","90","","1370.87","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-phenyl-1-(4-oxopentanoic acid)thiosemicarbazone","1-(4-Carboxybutan-2-ylidene)-4-phenylthiosemicarbazide","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C48 H60 N12 O8 S4 -","4","1","DS2195","Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; García-Granda, Santiago","1-(4-Carboxybutan-2-ylidene)-4-phenylthiosemicarbazide","Acta Crystallographica Section E","2012","68","6","o1945","o1946","10.1107/S1600536812023793","","","1.5418","CuKα","","0.0446","0.0395","","","0.1082","0.1141","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234973","6.119","0.0012","19.921","0.004","9.649","0.0019","90","","94.08","0.03","90","","1173.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-<i>N</i>'-phenylbenzohydrazide","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","DS2196","Kesternich, Víctor; Gahona, Paulo; Pérez-Fehrmann, Marcia; Brito, Iván; López-Rodríguez, Matías","2-Amino-<i>N</i>'-phenylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1847","","10.1107/S1600536812022362","","","0.71073","MoKα","","0.0879","0.0683","","","0.1512","0.1627","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234974","13.9486","0.0009","11.1773","0.0008","7.4579","0.0005","90","","102.061","0.004","90","","1137.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Methylphenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-one","","- C13 H11 N O S -","- C13 H11 N O S -","- C52 H44 N4 O4 S4 -","4","1","EZ2285","Palaniappan, Annamalai; Arulmozhivarman, Arumugam; Ramachandran, Rajamanickam; Srinivasan, Subramanian; Senthan, Sivakolunthu","(<i>E</i>)-3-(4-Methylphenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1875","","10.1107/S1600536812019575","","","0.71073","MoKα","","0.0574","0.0395","","","0.1067","0.1184","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234975","11.219","0.0011","14.3742","0.0016","12.0189","0.0013","90","","96.43","0.001","90","","1926","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrakis(ethyl pyridine-4-carboxylate-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C34 H36 Co N6 O8 S2 -","- C34 H36 Co N6 O8 S2 -","- C68 H72 Co2 N12 O16 S4 -","2","1","EZ2290","Feng, Xiu-Ling; Zhang, Yu-Ping","Tetrakis(ethyl pyridine-4-carboxylate-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","6","m786","","10.1107/S1600536812021988","","","0.71073","MoKα","","0.0874","0.0474","","","0.0996","0.1221","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234976","7.309","0.004","17.01","0.009","25.507","0.013","90","","102.596","0.017","90","","3095","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methyl-2<i>H</i>- chromen-2-one","","- C15 H17 O6 P -","- C15 H17 O6 P -","- C120 H136 O48 P8 -","8","2","EZ2291","Zhao, Yan-Ru; Hou, Xu-Feng; Xu, Zhi-Hong","7-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2012","68","6","o1924","","10.1107/S1600536812023513","","","0.71073","MoKα","","0.1316","0.0523","","","0.1038","0.1339","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234977","8.8703","0.0013","9.1691","0.0018","18.643","0.003","86.745","0.014","86.943","0.012","67.798","0.016","1400.8","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","9-Phenyl-4,5-diaza-9<i>H</i>-fluoren-9-ol monohydrate","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","EZ2292","Yin, Guo-Jie; Yang, Gang-Bin; Wang, Shi-Min","9-Phenyl-4,5-diaza-9<i>H</i>-fluoren-9-ol monohydrate","Acta Crystallographica Section E","2012","68","6","o1817","","10.1107/S1600536812021940","","","1.54184","CuKα","","0.0675","0.0517","","","0.136","0.1514","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234978","9.5816","0.0001","11.3855","0.0002","14.365","0.0002","88.221","0.001","86.067","0.001","82.299","0.001","1548.93","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1569 [SPN-iPr-H+]BF4","2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate","","- C11 H20 B F4 N2 P S -","- C11 H20 B F4 N2 P S -","- C44 H80 B4 F16 N8 P4 S4 -","4","2","EZ2293","Holzhacker, Christian; Kirchner, Karl; Mereiter, Kurt","2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate","Acta Crystallographica Section E","2012","68","6","o1835","o1836","10.1107/S1600536812022295","","","0.71073","MoKα","","0.0299","0.0274","","","0.0736","0.0756","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234979","11.183","0.002","5.7531","0.001","17","0.004","90","","105.59","0.02","90","","1053.5","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis phenylalaninium hexafluorosilicate(VI)","(±)-Bis(1-carboxy-2-phenylethanaminium) hexafluorosilicate(VI)","","- C18 H24 F6 N2 O4 Si -","- C18 H24 F6 N2 O4 Si -","- C36 H48 F12 N4 O8 Si2 -","2","0.5","EZ2295","Belhouas, Ratiba; Bouacida, Sofiane; Boudaren, Chaouki; Daran, Jean-Claude; Roisnel, Thierry","(±)-Bis(1-carboxy-2-phenylethanaminium) hexafluorosilicate(VI)","Acta Crystallographica Section E","2012","68","6","o1791","o1792","10.1107/S1600536812021587","","","0.71073","MoKα","","0.0493","0.0348","","","0.0793","0.0862","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234980","8.877","0.006","9.12","0.006","20.69","0.014","90","","95.769","0.006","90","","1666.5","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>RS</i>)-Methyl 4-cyano-4-cyclohexyl-4-phenylbutanoate","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","FB2251","Sun, Gui-Sheng; Hu, Yu-Lai; Huang, Dan-Feng; Xu, Chang-Ming","(4<i>RS</i>)-Methyl 4-cyano-4-cyclohexyl-4-phenylbutanoate","Acta Crystallographica Section E","2012","68","6","o1894","","10.1107/S1600536812021320","","","0.71073","MoKα","","0.1159","0.0521","","","0.1099","0.1529","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234981","15.327","0.003","17.742","0.002","17.278","0.002","90","","110.36","0.02","90","","4404.9","1.3","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) (dimethylformamide-κ<i>O</i>)pentakis(thiocyanato-κ<i>N</i>)chromate(III)","","- C26 H49 Cr Mn N12 O7 S5 -","- C26 H49 Cr Mn N12 O7 S5 -","- C104 H196 Cr4 Mn4 N48 O28 S20 -","4","1","FF2065","Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkin, Oleg V.","Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) (dimethylformamide-κ<i>O</i>)pentakis(thiocyanato-κ<i>N</i>)chromate(III)","Acta Crystallographica Section E","2012","68","6","m823","","10.1107/S1600536812023069","","","0.71073","MoKα","","0.2032","0.0531","","","0.0813","0.0995","","","","","","0.67","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234982","14.8572","0.0013","6.2269","0.0006","13.1215","0.0012","90","","95.568","0.001","90","","1208.2","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(1<i>RS</i>,5<i>RS</i>,7<i>SR</i>)-5-Methyl-2,4-dioxo-3,6- diazabicyclo[3.2.1]octan-7-yl]benzonitrile","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","FF2066","Kudryavtsev, Konstantin V.; Churakov, Andrei V.","4-[(1<i>RS</i>,5<i>RS</i>,7<i>SR</i>)-5-Methyl-2,4-dioxo-3,6-diazabicyclo[3.2.1]octan-7-yl]benzonitrile","Acta Crystallographica Section E","2012","68","6","o1718","","10.1107/S1600536812020156","","","0.71073","MoKα","","0.0446","0.0401","","","0.1066","0.1098","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234983","33.312","0.003","9.4144","0.0006","14.4581","0.001","90","","102.393","0.0019","90","","4428.6","0.6","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3,3,6,6-Tetramethyl-9-(2-nitrostyryl)-3,4,5,6,7,9-hexahydro- 1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","1","FF2067","Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Lee, Ki Soo; Cha, Joo Hwan","(<i>E</i>)-3,3,6,6-Tetramethyl-9-(2-nitrostyryl)-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","6","o1947","","10.1107/S1600536812023495","","","0.71075","MoKα","","","0.048","","","","0.1531","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234984","10.9165","0.0005","7.815","0.0003","28.039","0.0014","90","","90","","90","","2392.08","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1<i>E</i>,2<i>E</i>)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C88 H104 N24 S8 -","8","1","FF2068","Mendoza-Meroño, Rafael; García-Granda, Santiago","(1<i>E</i>,2<i>E</i>)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone","Acta Crystallographica Section E","2012","68","6","o1840","","10.1107/S1600536812022386","","","1.5418","CuKα","","0.0592","0.0389","","","0.0975","0.11","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234985","9.4297","0.0019","10.429","0.002","12.471","0.003","81.37","0.03","71","0.03","79.83","0.03","1135.7","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-glutarato-κ^4^<i>O</i>^1^:<i>O</i>^5^- bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine- κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(II)}","","- C50 H44 Cu2 N8 O10 -","- C50 H44 Cu2 N8 O10 -","- C50 H44 Cu2 N8 O10 -","1","0.5","FF2069","Xu, Wei; Feng, Lan-Jing-Qian","Di-μ-glutarato-κ^4^<i>O</i>^1^:<i>O</i>^5^-bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine-κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(II)}","Acta Crystallographica Section E","2012","68","6","m797","","10.1107/S1600536812022969","","","0.71073","MoKα","","0.0856","0.0484","","","0.0945","0.1074","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234986","10.155","0.002","11.204","0.002","15.454","0.003","76.34","0.03","83.61","0.03","64.9","0.03","1547.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Triaqua-1κ<i>O</i>,2κ^2^<i>O</i>-bis(2,2'-bipyridine)- 1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-chlorido-1κ<i>Cl</i>- μ-terephthalato-1:2κ^2^<i>O</i>^1^:<i>O</i>^4^-dicopper(II) nitrate monohydrate","","- C28 H28 Cl Cu2 N5 O11 -","- C28 H28 Cl Cu2 N5 O11 -","- C56 H56 Cl2 Cu4 N10 O22 -","2","1","FJ2542","Liu, Yang; Feng, Yong-Lan; Kuang, Dai-Zhi","Triaqua-1κ<i>O</i>,2κ^2^<i>O</i>-bis(2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-chlorido-1κ<i>Cl</i>-μ-terephthalato-1:2κ^2^<i>O</i>^1^:<i>O</i>^4^-dicopper(II) nitrate monohydrate","Acta Crystallographica Section E","2012","68","6","m746","m747","10.1107/S1600536812019848","","","0.71073","MoKα","","0.0843","0.0522","","","0.1543","0.1724","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234987","12.5718","0.0008","20.3617","0.0016","8.5162","0.0006","90","","104.498","0.007","90","","2110.6","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","9-(2-Bromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C22 H15 Br F3 N O5 S -","- C22 H15 Br F3 N O5 S -","- C88 H60 Br4 F12 N4 O20 S4 -","4","1","FJ2548","Trzybiński, Damian; Sieradzan, Andrzej; Krzymiński, Karol; Błażejowski, Jerzy","9-(2-Bromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","6","o1722","o1723","10.1107/S1600536812020892","","","0.71073","MoKα","","0.0659","0.0354","","","0.0829","0.0877","","","","","","0.916","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234988","8.6024","0.0009","16.12","0.0019","9.5092","0.0012","90","","121.501","0.008","90","","1124.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-1-(2-Aminocarbonyl-2-bromoethyl)pyridinium bromide","","- C8 H10 Br2 N2 O -","- C8 H10 Br2 N2 O -","- C32 H40 Br8 N8 O4 -","4","1","FJ2549","Köppen, Robert; Emmerling, Franziska; Koch, Matthias","<i>rac</i>-1-(2-Aminocarbonyl-2-bromoethyl)pyridinium bromide","Acta Crystallographica Section E","2012","68","6","o1666","","10.1107/S1600536812019721","","","0.71073","MoKα","","0.0741","0.0444","","","0.123","0.1294","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234989","8.1785","0.0003","15.7494","0.0006","15.6615","0.0005","90","","94.039","0.002","90","","2012.29","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(2-acetylcyclopentan-1-onato-κ^2^<i>O</i>,<i>O</i>')aluminium","","- C21 H27 Al O6 -","- C21 H27 Al O6 -","- C84 H108 Al4 O24 -","4","1","FJ2551","Perdih, Franc","Tris(2-acetylcyclopentan-1-onato-κ^2^<i>O</i>,<i>O</i>')aluminium","Acta Crystallographica Section E","2012","68","6","m781","","10.1107/S1600536812021848","","","0.71073","MoKα","","0.107","0.0715","","","","0.2282","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234990","6.1046","0.0005","11.0329","0.0008","12.4303","0.0009","101.175","0.003","91.323","0.002","104.759","0.002","791.91","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(2<i>E</i>)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-<i>N</i>- phenylhydrazinecarbothioamide","","- C15 H14 Br N3 O2 S -","- C15 H14 Br N3 O2 S -","- C30 H28 Br2 N6 O4 S2 -","2","1","FJ2553","Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(2<i>E</i>)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-<i>N</i>-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","6","o1871","o1872","10.1107/S1600536812022520","","","0.71073","MoKα","","0.039","0.0285","","","0.064","0.0684","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234991","9.2401","0.0013","9.839","0.0014","13.3765","0.0019","99.978","0.002","94.616","0.002","92.145","0.002","1192.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(methanol-κ<i>O</i>)[<i>cis</i>-(±)-2,4,5-tris(pyridin-2-yl)-2- imidazoline-κ^3^<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^4^]ytterbium(III) chloride","","- C20 H23 Cl3 N5 O2 Yb -","- C20 H23 Cl3 N5 O2 Yb -","- C40 H46 Cl6 N10 O4 Yb2 -","2","1","FJ2554","Baez-Castro, Alberto; Höpfl, Herbert; Parra-Hake, Miguel; Cruz-Enriquez, Adriana; Campos-Gaxiola, Jose J.","Dichloridobis(methanol-κ<i>O</i>)[<i>cis</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline-κ^3^<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^4^]ytterbium(III) chloride","Acta Crystallographica Section E","2012","68","6","m815","m816","10.1107/S1600536812022052","","","0.71073","MoKα","","0.0379","0.035","","","0.0819","0.0909","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234992","5.1851","0.0004","21.408","0.002","5.6833","0.0004","90","","98.01","0.007","90","","624.71","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-(4-Methylbenzyl)-3-nitroaniline","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","FJ2555","Daković, Marijana; Portada, Tomislav; Klačić, Tin","<i>N</i>-(4-Methylbenzyl)-3-nitroaniline","Acta Crystallographica Section E","2012","68","6","o1967","","10.1107/S1600536812024348","","","0.71073","MoKα","","0.0638","0.0459","","","0.1097","0.1165","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234993","6.8351","0.0001","8.1483","0.0002","15.7931","0.0003","76.661","0.001","81.769","0.001","75.287","0.001","824.45","0.03","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-(4-Cyclohexyl-3-fluorobenzylidene)chroman-4-one","","- C22 H21 F O2 -","- C22 H21 F O2 -","- C44 H42 F2 O4 -","2","1","FJ2556","Gopaul, Kaalin; Shaikh, Mahidansha M.; Koorbanally, Neil A.; Ramjugernath, Deresh; Omondi, Bernard","(<i>E</i>)-3-(4-Cyclohexyl-3-fluorobenzylidene)chroman-4-one","Acta Crystallographica Section E","2012","68","6","o1972","","10.1107/S1600536812024336","","","0.71073","MoKα","","0.0628","0.0577","","","0.1674","0.173","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234994","8.1423","0.0007","8.6891","0.0009","9.0028","0.0008","76.163","0.008","68.105","0.007","86.397","0.008","573.6","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dibromo-2,3-dihydro-1<i>H</i>-inden-1-yl acetate","","- C11 H10 Br2 O2 -","- C11 H10 Br2 O2 -","- C22 H20 Br4 O4 -","2","1","FJ2559","Çelik, Ísmail; Akkurt, Mehmet; Yilmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan; Kazak, Canan","2,4-Dibromo-2,3-dihydro-1<i>H</i>-inden-1-yl acetate","Acta Crystallographica Section E","2012","68","6","o1884","","10.1107/S1600536812023173","","","0.71073","MoKα","","0.0875","0.0673","","","0.1635","0.1776","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234995","8.3443","0.0007","14.5827","0.0013","16.9132","0.0014","70.418","0.004","88.849","0.004","76.833","0.004","1884.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","8-Bromo-3-(cyclopropanylcarbonyl)-5-methylindolizine-1-carbonitrile","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C84 H66 Br6 N12 O6 -","6","3","FJ2561","Fan, Dahe; Tang, Fan; Wang, Wei","8-Bromo-3-(cyclopropanylcarbonyl)-5-methylindolizine-1-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1897","","10.1107/S1600536812023161","","","0.71073","MoKα","","","0.0315","","","0.0819","0.0864","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234996","9.4028","0.0003","10.2524","0.0005","12.0473","0.0006","90","","90","","90","","1161.37","0.09","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>*,5<i>R</i>*)-9-Phenyl-9-azabicyclo[3.3.1]nonan-3-one","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","FY2049","Jiang, Zhen-ju; He, Qi; Li, Zhen; Wang, Zhou-yu","(1<i>S</i>*,5<i>R</i>*)-9-Phenyl-9-azabicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2012","68","6","o1691","","10.1107/S1600536812020065","","","0.7107","MoKα","","0.0603","0.0429","","","0.0837","0.0917","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234997","7.5864","0.0003","7.4083","0.0003","13.7673","0.0006","90","","105.337","0.002","90","","746.2","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-[2-({<i>N</i>-[(2<i>S</i>)-2-ammoniopropanoyl]glycyl}amino)ethyl]-1<i>H</i>- imidazol-3-ium dichloride","<i>L</i>-Alanylglycylhistamine dihydrochloride","","- C10 H19 Cl2 N5 O2 -","- C10 H19 Cl2 N5 O2 -","- C20 H38 Cl4 N10 O4 -","2","1","FY2052","Selmeczi, Katalin; Gizzi, Patrick; Wenger, Emmanuel; Henry, Bernard","<small>L</small>-Alanylglycylhistamine dihydrochloride","Acta Crystallographica Section E","2012","68","6","o1917","o1918","10.1107/S1600536812023562","","","0.71073","MoKα","","0.0298","0.0271","","","0.0678","0.07","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234998","6.8956","0.0002","17.1034","0.0003","15.7773","0.0003","90","","97.533","0.001","90","","1844.69","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenylsulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran","","- C20 H19 Br O3 S -","- C20 H19 Br O3 S -","- C80 H76 Br4 O12 S4 -","4","1","FY2055","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","6","o1624","","10.1107/S1600536812019411","","","0.71073","MoKα","","0.0574","0.0376","","","0.0856","0.0934","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234999","22.137","0.004","9.918","0.002","7.5853","0.0015","90","","90","","90","","1665.4","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Methylpiperidinium bromide","","- C6 H14 Br N -","- C6 H14 Br N -","- C48 H112 Br8 N8 -","8","1","FY2056","Xu, Qian","2-Methylpiperidinium bromide","Acta Crystallographica Section E","2012","68","6","o1962","","10.1107/S1600536812022878","","","0.71073","MoKα","","0.0961","0.0486","","","0.1003","0.1176","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235000","10.7798","0.0012","20.775","0.0019","8.7652","0.0018","90","","105.318","0.015","90","","1893.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-(4- methoxyphenyl)propylidene]amino}-3-(2-methylphenyl)urea","","- C21 H23 N5 O2 -","- C21 H23 N5 O2 -","- C84 H92 N20 O8 -","4","1","GG2079","Attia, Mohamed I.; Aboul-Enein, Mohamed N.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-(4-methoxyphenyl)propylidene]amino}-3-(2-methylphenyl)urea","Acta Crystallographica Section E","2012","68","6","o1799","o1800","10.1107/S1600536812021903","","","0.71073","MoKα","","0.1063","0.0635","","","0.2009","0.2156","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235001","14.115","0.0009","10.1909","0.0006","7.6749","0.0005","90","","104.212","0.003","90","","1070.2","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10-(prop-2-yn-1-yl)dipyrido[3,4-<i>b</i>:3',4'-<i>e</i>][1,4]thiazine","10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazine","","- C13 H9 N3 S -","- C13 H9 N3 S -","- C52 H36 N12 S4 -","4","1","GK2475","Morak-Młodawska, Beata; Suwińska, Kinga; Pluta, Krystian; Jeleń, Małgorzata","10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazine","Acta Crystallographica Section E","2012","68","6","o1590","o1591","10.1107/S1600536812018879","","","0.71073","MoKα","","0.062","0.049","","","0.105","0.114","","","","","","1.11","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235002","11.4488","0.0002","13.3868","0.0003","15.9828","0.0003","68.3485","0.001","78.4895","0.0013","89.839","0.0012","2224.2","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate","","- C45 H30 Cl8 N4 Sb2 -","- C45 H30 Cl8 N4 Sb2 -","- C90 H60 Cl16 N8 Sb4 -","2","1","GK2479","Soury, Raoudha; Belkhiria, Mohamed Sahah; Nasri, Habib; Parvez, Masood","Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","6","m717","m718","10.1107/S1600536812018351","","","0.71073","MoKα","","0.0718","0.0524","","","0.1017","0.1141","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235003","9.227","0.004","10.085","0.004","23.699","0.009","81.92","0.04","87.52","0.04","85.9","0.04","2176.6","1.5","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","5-[(4-Ethoxyanilino)methyl]-<i>N</i>-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine","","- C26 H25 F N4 O -","- C26 H25 F N4 O -","- C104 H100 F4 N16 O4 -","4","2","GK2480","Cieplik, Jerzy; Stolarczyk, Marcin; Bryndal, Iwona; Lis, Tadeusz","5-[(4-Ethoxyanilino)methyl]-<i>N</i>-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section E","2012","68","6","o1729","o1730","10.1107/S1600536812021046","","","0.71073","MoKα","","0.1281","0.0533","","","0.0726","0.0788","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235004","8.3483","0.0003","13.8354","0.0006","17.9813","0.0008","90.81","0.004","92.841","0.004","96.09","0.004","2062.22","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","sulfamethazine 4-nitrobenzoic acid (1:1) adduct","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒4-nitrobenzoic acid (1/1)","","- C19 H19 N5 O6 S -","- C19 H19 N5 O6 S -","- C76 H76 N20 O24 S4 -","4","2","GK2481","Smith, Graham; Wermuth, Urs D.","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒4-nitrobenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1649","o1650","10.1107/S1600536812019563","","","0.71073","MoKα","","0.0552","0.0369","","","0.0882","0.0925","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235005","35.7118","0.0006","6.17734","0.00011","7.48599","0.00015","90","","93.0377","0.0015","90","","1649.12","0.05","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","(2<i>R</i>,3<i>R</i>)-3-<i>O</i>-Benzoyl-<i>N</i>-benzyltartramide","(2<i>R</i>,3<i>R</i>)-4-benzylamino-2-benzoyloxy-3-hydroxy-4-oxobutanoic acid","","- C18 H17 N O6 -","- C18 H17 N O6 -","- C72 H68 N4 O24 -","4","1","GK2491","Madura, Izabela D.; Zachara, Janusz; Bernaś, Urszula; Hajmowicz, Halina; Synoradzki, Ludwik","(2<i>R</i>,3<i>R</i>)-3-<i>O</i>-Benzoyl-<i>N</i>-benzyltartramide","Acta Crystallographica Section E","2012","68","6","o1891","o1892","10.1107/S1600536812022933","","","1.5418","CuKα","","0.0265","0.0264","","","0.0709","0.0709","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235006","9.1473","0.0007","5.8265","0.0003","15.4299","0.0007","90","","101.155","0.005","90","","806.83","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Chlorophenyl)acetic acid","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","GK2495","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Narayana, B.","2-(2-Chlorophenyl)acetic acid","Acta Crystallographica Section E","2012","68","6","o1940","","10.1107/S1600536812023938","","","0.71073","MoKα","","0.0712","0.0515","","","0.1298","0.1446","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235007","12.04","0.002","8.8133","0.0018","12.715","0.003","90","","112.62","0.03","90","","1245.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methylpiperidinium) naphthalene-1,5-disulfonate","","- C22 H34 N2 O6 S2 -","- C22 H34 N2 O6 S2 -","- C44 H68 N4 O12 S4 -","2","0.5","GO2054","Xu, Qian","Bis(2-methylpiperidinium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","6","o1733","","10.1107/S1600536812020041","","","0.71073","MoKα","","0.0897","0.0577","","","0.1196","0.1339","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235008","6.0101","0.0012","10.724","0.002","22.156","0.004","81.92","0.03","87.17","0.03","77.22","0.03","1378.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,3',3'-Tetramethyl-6,6'-bis[(pyridin-4-yl)methoxy]-1,1'-spirobiindane monohydrate","","- C33 H36 N2 O3 -","- C33 H36 N2 O3 -","- C66 H72 N4 O6 -","2","1","GO2055","Zhang, Ya-Jie; Sun, Yan; Gao, Shu-Mei; Jiang, Xiao-Qing; Deng, Yu-Heng","3,3,3',3'-Tetramethyl-6,6'-bis[(pyridin-4-yl)methoxy]-1,1'-spirobiindane monohydrate","Acta Crystallographica Section E","2012","68","6","o1763","o1764","10.1107/S1600536812021289","","","0.71073","MoKα","","0.0826","0.0685","","","0.1302","0.1372","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235009","8.7725","0.0018","8.8259","0.0018","11.894","0.002","101.98","0.03","101.04","0.03","110.13","0.03","810.4","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({2-[(piperidin-2- ylmethyl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)) monohydrate","","- C30 H44 Cu2 N4 O8 -","- C30 H44 Cu2 N4 O8 -","- C30 H44 Cu2 N4 O8 -","1","0.5","GW2117","Wang, Xiao-qin","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({2-[(piperidin-2-ylmethyl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)) monohydrate","Acta Crystallographica Section E","2012","68","6","m833","","10.1107/S1600536812023070","","","0.71073","MoKα","","0.072","0.0405","","","0.1001","0.1364","","","","","","1.241","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235010","7.438","0.0015","8.76","0.0018","15.892","0.003","89.48","0.03","84.57","0.03","73.74","0.03","989.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-{(1<i>Z</i>)-1-[3-(2,4-Dichlorophenoxy)propoxy]-1-(2,4-difluorophenyl)prop- 1-en-2-yl}-1<i>H</i>-1,2,4-triazole","","- C20 H17 Cl2 F2 N3 O2 -","- C20 H17 Cl2 F2 N3 O2 -","- C40 H34 Cl4 F4 N6 O4 -","2","1","HB6698","Luan, Yuan-yuan; Hu, Yong-hong; Guo, Song; Zhu, Jing; Yang, Wen-ge","1-{(1<i>Z</i>)-1-[3-(2,4-Dichlorophenoxy)propoxy]-1-(2,4-difluorophenyl)prop-1-en-2-yl}-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2012","68","6","o1780","","10.1107/S1600536812017874","","","0.71073","MoKα","","0.0774","0.0537","","","0.1425","0.1577","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235011","9.4128","0.0003","10.5636","0.0005","19.2052","0.0006","90","","102.347","0.001","90","","1865.46","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-methyl-6-(propan-2-ylamino)-4-sulfanylidene-3<i>H</i>,11<i>H</i>- pyrimido[1,6-<i>c</i>]quinazoline-1-carboxylate","","- C18 H22 N4 O2 S -","- C18 H22 N4 O2 S -","- C72 H88 N16 O8 S4 -","4","1","HB6711","Li, Hong-Xia; Song, Yu-Su; Qu, Yong-nian; Lu, Jiang-Bing; Wang, Hong-Mei","Ethyl 2-methyl-6-(propan-2-ylamino)-4-sulfanylidene-3<i>H</i>,11<i>H</i>-pyrimido[1,6-<i>c</i>]quinazoline-1-carboxylate","Acta Crystallographica Section E","2012","68","6","o1821","","10.1107/S1600536812019952","","","0.71073","MoKα","","0.0624","0.0497","","","0.1315","0.1393","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235012","12.201","0.002","12.461","0.003","12.377","0.003","90","","105.1","0.03","90","","1816.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-diazoniabicyclo[2.2.2]octane hexaaquacadmium bis(sulfate)","","- C6 H26 Cd N2 O14 S2 -","- C6 H26 Cd N2 O14 S2 -","- C24 H104 Cd4 N8 O56 S8 -","4","1","HB6712","Wang, Bi-Qin; Yan, Hai-Biao; Fang, Ci-Jun; Zhang, Zhi","A new dabco-templated metal sulfate: 1,4-diazoniabicyclo[2.2.2]octane hexaaquacadmium bis(sulfate)","Acta Crystallographica Section E","2012","68","6","m759","m760","10.1107/S1600536812020089","","","0.71073","MoKα","","0.0281","0.0262","","","0.0645","0.0655","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235013","24.249","0.013","3.7925","0.0019","22.609","0.013","90","","91.866","0.009","90","","2078.1","1.9","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Fluorophenyl)quinoxaline","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C112 H72 F8 N16 -","8","1","HB6725","Wang, Cui-Ping; Ma, Saiyong; Yu, Jiang-Long; Yan, Jing-Bo; Zhang, Zhi-Qiang","2-(4-Fluorophenyl)quinoxaline","Acta Crystallographica Section E","2012","68","6","o1779","","10.1107/S1600536812017771","","","0.71073","MoKα","","0.0465","0.0364","","","0.1038","0.1087","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235014","6.4381","0.0013","7.603","0.0015","11.956","0.002","94.9","0.03","100.42","0.03","102.7","0.03","556.7","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","(<i>E</i>)-2,4-dichlorobenzaldehyde <i>O</i>-cyclopropanecarbonyl oxime","(<i>E</i>)-(2,4-Dichlorobenzylidene)amino cyclopropanecarboxylate","","- C11 H9 Cl2 N O2 -","- C11 H9 Cl2 N O2 -","- C22 H18 Cl4 N2 O4 -","2","1","HB6735","Wang, Mei-Yi; Zhang, Ya","(<i>E</i>)-(2,4-Dichlorobenzylidene)amino cyclopropanecarboxylate","Acta Crystallographica Section E","2012","68","6","o1594","","10.1107/S1600536812018016","","","0.71073","MoKα","","0.0338","0.0273","","","0.0738","0.0757","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235015","10.7897","0.0002","13.2457","0.0003","15.6436","0.0004","90","","90","","90","","2235.74","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","oxaline","","- C24 H25 N5 O4 -","- C24 H25 N5 O4 -","- C96 H100 N20 O16 -","4","1","HB6738","Qu, Peng; Wu, Zhi-Yong; Zhu, Wei-Ming","Redetermined structure of oxaline: absolute configuration using Cu <i>K</i>α radiation","Acta Crystallographica Section E","2012","68","6","o1626","","10.1107/S1600536812019423","","","1.54178","CuKα","","0.0351","0.0349","","","0.0892","0.0894","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235016","12.275","0.003","4.649","0.0009","30.887","0.006","90","","90.18","0.03","90","","1762.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2-chlorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile","","- C22 H14 Cl N3 -","- C22 H14 Cl N3 -","- C88 H56 Cl4 N12 -","4","1","HB6750","Wei, Hong-Xia; Zhu, Jing; Li, Ming; Wang, Jian-qiang; Guo, Cheng","2-Amino-4-(2-chlorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1839","","10.1107/S1600536812020909","","","0.71073","MoKα","","0.1679","0.069","","","0.133","0.1851","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235017","8.3141","0.0001","17.3978","0.0003","11.5729","0.0002","90","","94.309","0.001","90","","1669.25","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl <i>N</i>-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2<i>H</i>-chromen-7-yl}carbamate","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C76 H68 N4 O24 -","4","1","HB6754","Kumar, K. Mahesh; Mahabaleshwaraiah, N. M.; Kotresh, O.; Jeyaseelan, S.; Devarajegowda, H. C.","Methyl <i>N</i>-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2<i>H</i>-chromen-7-yl}carbamate","Acta Crystallographica Section E","2012","68","6","o1734","","10.1107/S160053681202048X","","","0.71073","MoKα","","0.0466","0.0354","","","0.0962","0.1025","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235018","11.2593","0.0004","21.2182","0.0007","8.6041","0.0003","90","","103.678","0.003","90","","1997.24","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[Bis(benzylsulfanyl)methylidene]benzohydrazide","","- C21 H19 N3 O S2 -","- C21 H19 N3 O S2 -","- C84 H76 N12 O4 S8 -","4","1","HB6755","Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","<i>N</i>'-[Bis(benzylsulfanyl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1640","o1641","10.1107/S1600536812019472","","","1.5418","CuKα","","0.0357","0.0346","","","0.0962","0.0973","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235019","13.7269","0.0009","25.3723","0.0016","11.4574","0.0007","90","","100.643","0.001","90","","3921.8","0.4","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis(biphenyl-4-yl)-4-hydroxy-4-(pyridin-2-yl)cyclohexane-1,3- diyl]bis[(pyridin-2-yl)methanone]‒butan-2-one (1/1)","","- C51 H45 N3 O4 -","- C51 H45 N3 O4 -","- C204 H180 N12 O16 -","4","1","HB6756","Fun, Hoong-Kun; Ooi, Chin Wei; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","[2,6-Bis(biphenyl-4-yl)-4-hydroxy-4-(pyridin-2-yl)cyclohexane-1,3-diyl]bis[(pyridin-2-yl)methanone]‒butan-2-one (1/1)","Acta Crystallographica Section E","2012","68","6","o1633","o1634","10.1107/S1600536812019241","","","0.71073","MoKα","","0.078","0.0492","","","0.1247","0.1434","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235020","17.2","0.003","5.6604","0.0011","17.524","0.004","90","","92.56","0.03","90","","1704.4","0.6","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[(3-chlorobenzyl)sulfanyl]-1,3,4-thiadiazole","","- C16 H12 Cl2 N2 S3 -","- C16 H12 Cl2 N2 S3 -","- C64 H48 Cl8 N8 S12 -","4","0.5","HB6758","Sun, Na-Bo; Jin, Jian-Zhong; Ke, Wei","2,5-Bis[(3-chlorobenzyl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E","2012","68","6","o1620","","10.1107/S1600536812019150","","","0.71073","MoKα","","0.0262","0.0239","","","0.0618","0.0633","","","","","","1.171","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235021","6.2975","0.0013","7.018","0.0014","7.2143","0.0014","71.54","0.03","86.62","0.03","85.54","0.03","301.32","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,4-Dimethylpiperazine-1,4-diium dibromide dihydrate","","- C6 H20 Br2 N2 O2 -","- C6 H20 Br2 N2 O2 -","- C6 H20 Br2 N2 O2 -","1","0.5","HB6759","Sun, Su-Wen","1,4-Dimethylpiperazine-1,4-diium dibromide dihydrate","Acta Crystallographica Section E","2012","68","6","o1703","","10.1107/S1600536812020272","","","0.71073","MoKα","","0.0702","0.0592","","","0.1599","0.1685","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235022","23.2016","0.0005","8.1526","0.0002","16.9992","0.0004","90","","121.274","0.001","90","","2748.23","0.11","100","1","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethyl-1<i>H</i>-benzimidazol-1-ium) bis(hexaflourophosphate)","","- C26 H28 F12 N4 P2 -","- C26 H28 F12 N4 P2 -","- C104 H112 F48 N16 P8 -","4","0.5","HB6760","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethyl-1<i>H</i>-benzimidazol-1-ium) bis(hexaflourophosphate)","Acta Crystallographica Section E","2012","68","6","o1635","","10.1107/S1600536812019344","","","0.71073","MoKα","","0.0621","0.0458","","","0.0914","0.098","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235023","15.382","0.005","8.234","0.003","13.32","0.004","90","","111.531","0.015","90","","1569.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(<i>E</i>)-<i>N</i>-(pyridin-3-ylmethylidene)hydroxylamine- κ<i>N</i>^1^]silver(I) perchlorate","","- C12 H12 Ag Cl N4 O6 -","- C12 H12 Ag Cl N4 O6 -","- C48 H48 Ag4 Cl4 N16 O24 -","4","0.5","HB6761","Xu, Jing; Gao, Shan; Ng, Seik Weng; Tiekink, Edward R. T.","Bis[(<i>E</i>)-<i>N</i>-(pyridin-3-ylmethylidene)hydroxylamine-κ<i>N</i>^1^]silver(I) perchlorate","Acta Crystallographica Section E","2012","68","6","m735","m736","10.1107/S1600536812019290","","","0.71073","MoKα","","0.0795","0.0477","","","0.118","0.1468","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235024","8.9803","0.0018","14.689","0.003","19.249","0.004","81.75","0.03","87.66","0.03","80.32","0.03","2476.7","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Dibutyl-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylethane-1,2-diaminium μ-oxido-bis[trichloridoferrate(III)]","","- C14 H34 Cl6 Fe2 N2 O -","- C14 H34 Cl6 Fe2 N2 O -","- C56 H136 Cl24 Fe8 N8 O4 -","4","2","HB6765","Närhi, Sari M.; Kostamo, Jatta; Asikkala, Janne; Oilunkaniemi, Raija; Laitinen, Risto S.","<i>N</i>,<i>N</i>'-Dibutyl-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diaminium μ-oxido-bis[trichloridoferrate(III)]","Acta Crystallographica Section E","2012","68","6","m748","","10.1107/S1600536812019964","","","0.71073","MoKα","","0.0566","0.0447","","","0.1127","0.128","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235025","6.8276","0.0007","9.2782","0.0009","14.5907","0.0014","88.812","0.002","86.085","0.003","75.394","0.002","892.33","0.15","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-[4-(4-Bromophenyl)thiazol-2-yl]-4-(piperidin-1-yl)butanamide","","- C18 H22 Br N3 O S -","- C18 H22 Br N3 O S -","- C36 H44 Br2 N6 O2 S2 -","2","1","HB6767","Ghabbour, Hazem A.; Kadi, Adnan A.; El-Subbagh, Hussein I.; Chia, Tze Shyang; Fun, Hoong-Kun","<i>N</i>-[4-(4-Bromophenyl)thiazol-2-yl]-4-(piperidin-1-yl)butanamide","Acta Crystallographica Section E","2012","68","6","o1665","","10.1107/S1600536812019204","","","0.71073","MoKα","","0.0548","0.0419","","","0.1057","0.1143","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235026","32.657","0.003","4.7861","0.0015","8.7596","0.0012","90","","90","","90","","1369.1","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Methyl-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","HB6769","Hu, Hua-Nan; Liu, Shi-Yong","(<i>E</i>)-4-Methyl-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1613","","10.1107/S1600536812019198","","","0.71073","MoKα","","0.064","0.0487","","","0.0965","0.1031","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235027","16.302","0.003","6.1012","0.001","8.0318","0.0013","90","","90","","90","","798.9","0.2","160","2","160","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Cyano-1-methylpyridinium nitrate","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","0.5","HB6770","Koplitz, Lynn V.; Mague, Joel T.; Kammer, Michael N.; McCormick, Cameron A.; Renfro, Heather E.; Vumbaco, David J.","2-Cyano-1-methylpyridinium nitrate","Acta Crystallographica Section E","2012","68","6","o1653","","10.1107/S1600536812019460","","","0.71073","MoKα","","0.0638","0.059","","","0.1523","0.1564","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235028","11.055","0.0003","11.9763","0.0004","13.1146","0.0003","77.457","0.001","72.163","0.002","73.981","0.001","1571.92","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ethyl (3<i>E</i>)-3-[2-(4-bromophenylsulfonyl)hydrazin-1-ylidene]butanoate","","- C12 H15 Br N2 O4 S -","- C12 H15 Br N2 O4 S -","- C48 H60 Br4 N8 O16 S4 -","4","2","HB6771","Murtaza, Shahzad; Kausar, Naghmana; Abbas, Aadil; Tahir, M. Nawaz; Zulfiqar, Muhammad","Ethyl (3<i>E</i>)-3-[2-(4-bromophenylsulfonyl)hydrazin-1-ylidene]butanoate","Acta Crystallographica Section E","2012","68","6","o1616","","10.1107/S1600536812019265","","","0.71073","MoKα","","0.0772","0.0492","","","0.1216","0.1349","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235029","10.8301","0.0002","7.463","0.0001","21.7213","0.0003","90","","90","","90","","1755.62","0.05","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(5-Bromo-1-benzofuran-2-yl)ethanone","","- C10 H7 Br O2 -","- C10 H7 Br O2 -","- C80 H56 Br8 O16 -","8","1","HB6772","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.","1-(5-Bromo-1-benzofuran-2-yl)ethanone","Acta Crystallographica Section E","2012","68","6","o1682","","10.1107/S160053681201985X","","","0.71073","MoKα","","0.0359","0.0236","","","0.0534","0.0577","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235030","5.4531","0.0006","7.9283","0.0009","15.1758","0.0017","94.271","0.002","92.613","0.002","90.83","0.002","653.5","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-<i>N</i>'-(2-phenylacetyl)acetohydrazide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","HB6773","Abdel-Aziz, Hatem A.; Quah, Ching Kheng; Fun, Hoong-Kun","2-Phenyl-<i>N</i>'-(2-phenylacetyl)acetohydrazide","Acta Crystallographica Section E","2012","68","6","o1680","","10.1107/S1600536812019861","","","0.71073","MoKα","","0.0627","0.0411","","","0.1121","0.134","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235031","4.0047","0.001","13.424","0.003","10.938","0.003","90","","99.65","0.005","90","","579.7","0.3","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","6-(4-Bromophenyl)-3-methyl-7<i>H</i>-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","","- C11 H9 Br N4 S -","- C11 H9 Br N4 S -","- C22 H18 Br2 N8 S2 -","2","1","HB6774","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Attia, Mohamed I.","6-(4-Bromophenyl)-3-methyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2012","68","6","o1681","","10.1107/S1600536812019885","","","0.71073","MoKα","","0.0626","0.0568","","","0.147","0.1521","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235032","13.2629","0.0005","7.9118","0.0003","24.9235","0.0008","90","","90","","90","","2615.31","0.16","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-4-methylbenzohydrazide","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C120 H104 F8 N16 O8 -","8","1","HB6775","Hu, Hua-Nan; Liu, Shi-Yong","(<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1643","","10.1107/S1600536812019484","","","0.71073","MoKα","","0.0509","0.041","","","0.1134","0.1231","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235033","7.0072","0.0003","8.9402","0.0004","13.3438","0.0006","98.184","0.003","90.51","0.002","98.389","0.003","818.19","0.06","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","<i>rac</i>-(3<i>S</i>,4<i>Z</i>)-3-Chloro-4-[2-(3- fluorobenzylidene)hydrazinylidene]- 3-chloro-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C16 H13 Cl F N3 O2 S -","- C16 H13 Cl F N3 O2 S -","- C32 H26 Cl2 F2 N6 O4 S2 -","2","1","HB6778","Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Ahmad, Saeed","<i>rac</i>-(3<i>S</i>,4<i>Z</i>)-3-Chloro-4-[2-(3-fluorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","6","o1787","","10.1107/S1600536812021654","","","0.71073","MoKα","","0.1012","0.0501","","","0.0998","0.1201","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235034","8.5133","0.0004","19.8999","0.0008","12.7849","0.0006","90","","105.026","0.002","90","","2091.88","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[2-(Anthracen-9-ylmethylidene)hydrazinylidene]-3-chloro-1-methyl- 3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C24 H18 Cl N3 O2 S -","- C24 H18 Cl N3 O2 S -","- C96 H72 Cl4 N12 O8 S4 -","4","1","HB6779","Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Bokhari, Tanveer Hussain; Asghar, Muhammad Nadeem","4-[2-(Anthracen-9-ylmethylidene)hydrazinylidene]-3-chloro-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","6","o1788","","10.1107/S1600536812021642","","","0.71073","MoKα","","0.0659","0.0474","","","0.123","0.1359","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235035","8.9735","0.0003","20.7073","0.0008","10.4048","0.0005","90","","122.901","0.003","90","","1623.29","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Bis-(methyl-DL-alanylcarbonyl)pyridine carboxylate","Methyl 2-{6-[(1-methoxy-1-oxopropan-2-yl)aminocarbonyl]pyridine-2- carboxamido}propanoate","","- C15 H19 N3 O6 -","- C15 H19 N3 O6 -","- C60 H76 N12 O24 -","4","1","HB6780","Al-Omar, Mohamed A.; Amr, Abdel-Galil E.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","Methyl 2-{6-[(1-methoxy-1-oxopropan-2-yl)aminocarbonyl]pyridine-2-carboxamido}propanoate","Acta Crystallographica Section E","2012","68","6","o1837","o1838","10.1107/S1600536812022258","","","1.54178","CuKα","","0.0673","0.0532","","","0.176","0.1922","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235036","7.6414","0.0001","7.6748","0.0001","10.5644","0.0002","109.589","0.001","91.405","0.001","93.26","0.001","582.132","0.016","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-Cyano-<i>N</i>'-(1,2,3,4-tetrahydronaphthalen-1- ylidene)acetohydrazide","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C26 H26 N6 O2 -","2","1","HB6781","Al-Omar, Mohamed A.; Khalifa, Nagy M.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","(<i>E</i>)-2-Cyano-<i>N</i>'-(1,2,3,4-tetrahydronaphthalen-1-ylidene)acetohydrazide","Acta Crystallographica Section E","2012","68","6","o1740","","10.1107/S160053681202106X","","","1.54178","CuKα","","0.0448","0.0427","","","0.1181","0.1204","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235037","9.8548","0.0002","25.0714","0.0006","16.0566","0.0004","90","","107.023","0.001","90","","3793.35","0.15","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-phenyl-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H17 F3 N2 O2 -","- C23 H17 F3 N2 O2 -","- C184 H136 F24 N16 O16 -","8","2","HB6782","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 1-phenyl-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","6","o1864","o1865","10.1107/S1600536812022210","","","0.71073","MoKα","","0.134","0.0618","","","0.1153","0.1417","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235038","22.23","0.0007","7.6367","0.0003","15.6482","0.0006","90","","126.234","0.001","90","","2142.76","0.14","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[(<i>E</i>)-3,4-Dimethoxybenzylidene]hydrazinecarboxamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C80 H104 N24 O24 -","8","1","HB6783","Tahir, M. Nawaz; Umar, M. Naveed; Ali, Akbar; Shad, Hazoor Ahmad","2-[(<i>E</i>)-3,4-Dimethoxybenzylidene]hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","6","o1724","","10.1107/S1600536812020739","","","0.71073","MoKα","","0.0753","0.0429","","","0.1015","0.1209","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235039","17.566","0.004","11.961","0.002","18.514","0.004","90","","116.65","0.03","90","","3476.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ~6~-benzene-1,3,5-tricarboxylato- κ^7^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^: <i>O</i>^5^:<i>O</i>^5'^)tetrakis(dimethylformamide- κ<i>O</i>)trimagnesium(II)]","","- C30 H34 Mg3 N4 O16 -","- C30 H34 Mg3 N4 O16 -","- C120 H136 Mg12 N16 O64 -","4","1","HB6785","Łuczyńska-Szymczak, Katarzyna; Starosta, Wojciech; Leciejewicz, Janusz","Poly[bis(μ~6~-benzene-1,3,5-tricarboxylato-κ^7^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tetrakis(dimethylformamide-κ<i>O</i>)trimagnesium(II)]","Acta Crystallographica Section E","2012","68","6","m852","m853","10.1107/S1600536812023240","","","0.71073","MoKα","","0.1562","0.0405","","","0.1087","0.1441","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235040","8.302","0.0012","9.7232","0.0014","7.665","0.001","90","","97.855","0.013","90","","612.93","0.15","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl 3-aminocrotonate","Methyl 3-aminobut-2-enoate","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","HB6788","Wang, Xiao; Zhang, Li-Zhu","Methyl 3-aminobut-2-enoate","Acta Crystallographica Section E","2012","68","6","o1930","","10.1107/S160053681202288X","","","1.54187","CuKα","","0.0695","0.0673","","","0.1372","0.141","","","","","","1.199","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235041","10.502","0.002","7.649","0.003","19.235","0.004","90","","103.395","0.015","90","","1503.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-2-methyl-1,1-dioxo-<i>N</i>-phenyl-2<i>H</i>- 1λ^6^,2-benzothiazine-3-carboxamide","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C64 H56 N8 O16 S4 -","4","1","HB6789","Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Siddiqui, Hamid Latif; Parvez, Masood","4-Hydroxy-2-methyl-1,1-dioxo-<i>N</i>-phenyl-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxamide","Acta Crystallographica Section E","2012","68","6","o1790","","10.1107/S1600536812021708","","","0.71073","MoKα","","0.0602","0.048","","","0.1104","0.1186","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235042","14.3951","0.0003","8.7449","0.0002","21.1047","0.0004","90","","90","","90","","2656.74","0.1","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","HB6791","Rassem, Hesham Hussein; Salhin, Abdussalam; Bin Salleh, Baharuddin; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1832","","10.1107/S1600536812021952","","","0.71073","MoKα","","0.0596","0.0436","","","0.1044","0.1144","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235043","13.8258","0.0006","5.4278","0.0003","21.0715","0.0009","90","","101.857","0.003","90","","1547.54","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5<i>Z</i>)-5-(2-Hydroxybenzylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3- thiazolidin-4-one","","- C17 H13 N O2 S2 -","- C17 H13 N O2 S2 -","- C68 H52 N4 O8 S8 -","4","1","HB6792","Shahwar, Durre; Tahir, M. Nawaz; Kashif, Misbah; Saeed, Afifa; Bukhari, Sana","(5<i>Z</i>)-5-(2-Hydroxybenzylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","6","o1818","","10.1107/S1600536812021630","","","0.71073","MoKα","","0.1196","0.0468","","","0.081","0.1014","","","","","","0.93","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235044","5.4598","0.0004","12.3285","0.0012","13.0441","0.0013","95.412","0.003","96.482","0.002","94.238","0.002","865.33","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-{[(2-Hydroxy-3,5-dimethylbenzyl)(methyl)amino]methyl}-4,6-dimethylphenol","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","HB6793","Veranitisagul, Chatchai; Wattanathana, Worawat; Kaewvilai, Attaphon; Duangthongyou, Tanwawan; Laobuthee, Apirat; Koonsaeng, Nattamon","2-{[(2-Hydroxy-3,5-dimethylbenzyl)(methyl)amino]methyl}-4,6-dimethylphenol","Acta Crystallographica Section E","2012","68","6","o1826","","10.1107/S1600536812022180","","","0.71073","MoKα","","0.0755","0.0495","","","0.1492","0.1822","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235045","6.3452","0.0013","6.6731","0.0013","11.077","0.002","90","","95.61","0.03","90","","466.78","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-bis(cyanomethyl)piperazine","2,2'-(Piperazine-1,4-diyl)diacetonitrile","","- C8 H12 N4 -","- C8 H12 N4 -","- C16 H24 N8 -","2","0.5","HB6795","Gao, Wei; Yang, Jing; Wang, Xin-Ling; Zhou, Ning; Wu, Xue-Fen","2,2'-(Piperazine-1,4-diyl)diacetonitrile","Acta Crystallographica Section E","2012","68","6","o1798","","10.1107/S1600536812021733","","","0.71073","MoKα","","0.0595","0.0459","","","0.1416","0.1502","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235046","7.7698","0.0016","20.462","0.004","9.856","0.002","90","","113.09","0.03","90","","1441.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Hydroxy-3-methoxyphenyl)-1<i>H</i>-benzimidazol-3-ium perchlorate","","- C14 H13 Cl N2 O6 -","- C14 H13 Cl N2 O6 -","- C56 H52 Cl4 N8 O24 -","4","1","HB6796","Chen, Chuan; Li, Hong-Xing; Hou, Guang-Feng; Li, Guang-Ming","2-(2-Hydroxy-3-methoxyphenyl)-1<i>H</i>-benzimidazol-3-ium perchlorate","Acta Crystallographica Section E","2012","68","6","o1920","","10.1107/S1600536812023422","","","0.71073","MoKα","","0.0951","0.0511","","","0.1182","0.1395","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235047","15.514","0.003","15.021","0.003","16.155","0.003","90","","90","","90","","3764.7","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyltriethylammonium tetrachloridoferrate(III)","","- C13 H22 Cl4 Fe N -","- C13 H22 Cl4 Fe N -","- C104 H176 Cl32 Fe8 N8 -","8","1","HB6797","Jin, Lei","Benzyltriethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","6","m805","","10.1107/S1600536812023008","","","0.71073","MoKα","","0.1091","0.0682","","","0.1511","0.1704","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235048","9.7278","0.0003","12.4327","0.0003","14.2607","0.0004","90","","100.725","0.001","90","","1694.6","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","HB6798","Shafiq, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Bukhari, Iftikhar Hussain; Ejaz","1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","6","o1927","","10.1107/S1600536812022982","","","0.71073","MoKα","","0.072","0.0455","","","0.1296","0.1507","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235049","12.8185","0.0004","14.9912","0.0004","16.6456","0.0005","83.374","0.001","81.38","0.001","74.099","0.001","3032.25","0.16","100","1","100","","","","","","","","","6","P -1","-P 1","2","","[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane- 1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-(triphenyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) chloroform disolvate","","- C58 H47 Cl6 O12 P3 Ru3 -","- C58 H47 Cl6 O12 P3 Ru3 -","- C116 H94 Cl12 O24 P6 Ru6 -","2","1","HB6801","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-(triphenyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) chloroform disolvate","Acta Crystallographica Section E","2012","68","6","m812","m813","10.1107/S1600536812023227","","","0.71073","MoKα","","0.0338","0.0306","","","0.0872","0.0913","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235050","6.9656","0.0002","11.2404","0.0003","14.6014","0.0003","96.108","0.001","90.415","0.001","104.764","0.001","1098.51","0.05","100","1","100","0.1","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-3-(4-Cyanophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''- terphenyl-4'-yl)prop-2-en-1-one","","- C29 H19 F2 N O2 -","- C29 H19 F2 N O2 -","- C58 H38 F4 N2 O4 -","2","1","HB6802","Fun, Hoong-Kun; Loh, Wan-Sin; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(4-Cyanophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1877","o1878","10.1107/S1600536812023124","","","0.71073","MoKα","","0.0689","0.0501","","","0.1056","0.1123","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235051","5.8623","0.0002","10.9912","0.0005","12.2815","0.0005","68.214","0.001","84.707","0.001","87.623","0.001","731.67","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","1-[2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone","","- C16 H14 Cl N3 O2 -","- C16 H14 Cl N3 O2 -","- C32 H28 Cl2 N6 O4 -","2","1","HB6803","Fun, Hoong-Kun; Arshad, Suhana; Shyma, P. C.; Kalluraya, Balakrishna; Arulmoli, T.","1-[2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone","Acta Crystallographica Section E","2012","68","6","o1901","","10.1107/S1600536812023100","","","0.71073","MoKα","","0.0415","0.0373","","","0.1112","0.1159","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235052","6.6309","0.0003","22.7059","0.001","13.3019","0.0005","90","","119.559","0.002","90","","1742.08","0.13","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(3,4-Dichlorobenzylidene)-5-methyl-1-(4-nitrophenyl)-1<i>H</i>- 1,2,3-triazole-4-carbohydrazide","","- C17 H12 Cl2 N6 O3 -","- C17 H12 Cl2 N6 O3 -","- C68 H48 Cl8 N24 O12 -","4","1","HB6804","Fun, Hoong-Kun; Arshad, Suhana; Nithinchandra; Kalluraya, Balakrishna; Vidyashree, J. H. S.","<i>N</i>'-(3,4-Dichlorobenzylidene)-5-methyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","Acta Crystallographica Section E","2012","68","6","o1902","","10.1107/S1600536812023112","","","0.71073","MoKα","","0.0452","0.0367","","","0.0934","0.0991","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235053","6.81","0.004","6.506","0.004","15.277","0.009","90","","90","","90","","676.9","0.7","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Methoxy-4-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one monohydrate","","- C4 H9 N3 O3 -","- C4 H9 N3 O3 -","- C16 H36 N12 O12 -","4","0.5","HB6806","Gao, Wei; Wang, Xin-Ling; Yang, Jing; Wu, Xue-Fen","3-Methoxy-4-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2012","68","6","o1925","","10.1107/S1600536812023380","","","0.71073","MoKα","","0.0375","0.0323","","","0.0871","0.0899","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235054","13.3132","0.0007","3.9387","0.0002","16.5476","0.0009","90","","112.318","0.002","90","","802.7","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Dibromo-4-chloroaniline","","- C6 H4 Br2 Cl N -","- C6 H4 Br2 Cl N -","- C24 H16 Br8 Cl4 N4 -","4","1","HB6810","Ali, Umar Sharif; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz","2,6-Dibromo-4-chloroaniline","Acta Crystallographica Section E","2012","68","6","o1904","","10.1107/S1600536812023331","","","0.71073","MoKα","","0.0417","0.0242","","","0.0519","0.0564","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235055","10.416","0.002","16.87","0.003","14.311","0.003","90","","100.57","0.03","90","","2472","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[Bis(4-fluorophenyl)methyl]-4-[2-(naphthalen-2-yloxy)ethyl]piperazine","","- C29 H28 F2 N2 O -","- C29 H28 F2 N2 O -","- C116 H112 F8 N8 O4 -","4","1","HB6811","Zhong, Yan; Wu, Bin","1-[Bis(4-fluorophenyl)methyl]-4-[2-(naphthalen-2-yloxy)ethyl]piperazine","Acta Crystallographica Section E","2012","68","6","o1974","","10.1107/S1600536812024129","","","0.71073","MoKα","","0.0996","0.0584","","","0.1606","0.1815","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235056","8.855","0.0018","12.827","0.003","22.432","0.005","90","","90","","90","","2547.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-(2-Ethoxyphenyl)-1-{4-[(2-fluorophenyl)(4- fluorophenyl)methyl]piperazin-1-yl}prop-2-en-1-one","","- C28 H28 F2 N2 O2 -","- C28 H28 F2 N2 O2 -","- C112 H112 F8 N8 O8 -","4","1","HB6812","Zhong, Yan; Wu, Bin","(<i>E</i>)-3-(2-Ethoxyphenyl)-1-{4-[(2-fluorophenyl)(4-fluorophenyl)methyl]piperazin-1-yl}prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1975","","10.1107/S1600536812024130","","","0.71073","MoKα","","0.1271","0.0634","","","0.134","0.1598","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235057","16.2979","0.0011","6.1103","0.0004","18.2336","0.0012","90","","104.975","0.004","90","","1754.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-[(<i>E</i>,<i>E</i>)-<i>cis</i>-(Cyclohexane-1,4- diyl)bis(nitrilomethanylylidene)]diphenol","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","HB6813","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.","2,2'-[(<i>E</i>,<i>E</i>)-<i>cis</i>-(Cyclohexane-1,4-diyl)bis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","6","o1905","","10.1107/S1600536812023367","","","0.71073","MoKα","","0.1319","0.05","","","0.1075","0.1399","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235058","11.0697","0.0014","13.4436","0.0016","9.1643","0.0011","90","","96.576","0.002","90","","1354.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(2-Chlorobenzylidene)-4-methylbenzohydrazide","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","HB6816","Wang, De-Cheng; Li, Xiao-Rong; Gao, Lei; Hai, Yong; Wang, Jiang-Ning","<i>N</i>'-(2-Chlorobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1960","","10.1107/S1600536812024099","","","0.71073","MoKα","","0.0513","0.0368","","","0.094","0.104","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235059","10.364","0.0004","7.6408","0.0003","18.1106","0.0007","90","","91.099","0.003","90","","1433.9","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-({[(2-methylphenyl)methyl]disulfanyl}methyl)benzene","","- C16 H18 S2 -","- C16 H18 S2 -","- C64 H72 S8 -","4","1","HB6818","Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","1-Methyl-2-({[(2-methylphenyl)methyl]disulfanyl}methyl)benzene","Acta Crystallographica Section E","2012","68","6","o1953","","10.1107/S160053681202418X","","","1.5418","CuKα","","0.036","0.0349","","","0.0946","0.0957","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235060","11.2875","0.0006","13.0874","0.0007","16.3325","0.0009","93.902","0.001","107.537","0.001","95.31","0.001","2279","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2-({Benzyl[2-(benzyl{5-methyl-2-oxido-3-[(pyridin-2- ylmethyl)iminomethyl]benzyl}amino)ethyl]azaniumyl}methyl)-4-methyl- 6-[(pyridin-2-ylmethyl)iminomethyl]phenolato]nickel(II) perchlorate methanol disolvate","","- C48 H55 Cl N6 Ni O8 -","- C48 H55 Cl N6 Ni O8 -","- C96 H110 Cl2 N12 Ni2 O16 -","2","1","HB6819","Liu, Ming; Mao, Jia-Wei; Pan, Zhi-Quan","[2-({Benzyl[2-(benzyl{5-methyl-2-oxido-3-[(pyridin-2-ylmethyl)iminomethyl]benzyl}amino)ethyl]azaniumyl}methyl)-4-methyl-6-[(pyridin-2-ylmethyl)iminomethyl]phenolato]nickel(II) perchlorate methanol disolvate","Acta Crystallographica Section E","2012","68","6","m860","m861","10.1107/S1600536812024191","","","0.71073","MoKα","","0.0462","0.0371","","","0.1296","0.1651","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235061","12.9935","0.0016","4.799","0.0004","23.433","0.003","90","","95.506","0.007","90","","1454.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(2-Aminophenyl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","HB6821","Murtaza, Shahzad; Tahir, M. Nawaz; Tariq, Javaria; Abbas, Aadil; Kausar, Naghmana","2-[(2-Aminophenyl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","Acta Crystallographica Section E","2012","68","6","o1968","","10.1107/S1600536812024178","","","0.71073","MoKα","","0.1121","0.0498","","","0.0971","0.1213","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235062","29.075","0.003","12.1376","0.0011","16.9475","0.0007","90","","94.992","0.005","90","","5958.1","0.9","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(15<i>E</i>,40<i>E</i>,60<i>E</i>)-65,74-bis(prop-2-en-1-yloxy)- 13,18,38,43,58,63-hexaoxadodecacyclo[28.26.8.7^20,36^.1^11,45^.1^51,55^. 0^5,57^.0^7,12^.0^19,24^.0^26,64^.0^32,37^.0^44,49^.1^68,72^]tetraheptaconta- 1,3,5(57),7,9,11,15,19(24),20,22,26,28,30(64),32,34,36,40,44(49),45,47,51,53, 55(65),60,68,70,72(74)-heptacosaene","","- C74 H68 O8 -","- C73.994 H68 O8 -","- C295.976 H272 O32 -","4","0.5","HG5194","Hailu, Shimelis T.; Butcher, Ray J.; Hudrlik, Paul F.; Hudrlik, Anne M.","A bis-calixarene from olefin metathesis","Acta Crystallographica Section E","2012","68","6","o1833","o1834","10.1107/S1600536812022325","","","1.54184","CuKα","","0.1108","0.0722","","","0.2081","0.261","","","","","","1.152","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235063","7.1646","0.0016","9.369","0.002","12.647","0.003","75.313","0.004","78.864","0.004","74.155","0.004","783","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Aqua[6-carboxylato-<i>N</i>'-(pyridin-2-ylmethylidene)pyridine-2- carbohydrazidato]copper(II) trihydrate","","- C13 H16 Cu N4 O7 -","- C13 H16 Cu N4 O7 -","- C26 H32 Cu2 N8 O14 -","2","1","HG5211","Huang, Yu-Min; Wu, Wen-Shi; Wang, Xin-Yu","Aqua[6-carboxylato-<i>N</i>'-(pyridin-2-ylmethylidene)pyridine-2-carbohydrazidato]copper(II) trihydrate","Acta Crystallographica Section E","2012","68","6","m783","","10.1107/S1600536812021447","","","0.71073","MoKα","","0.0336","0.0322","","","0.0958","0.097","","","","","","1.089","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235064","5.927","0.004","11.241","0.008","14.9","0.01","90","","90","","90","","992.7","1.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl[(<i>E</i>)-(2-nitromethylidene-1,3-dithiolan-4-yl)methyl]amine","","- C7 H12 N2 O2 S2 -","- C7 H12 N2 O2 S2 -","- C28 H48 N8 O8 S8 -","4","1","HG5213","Yang, Shuang-Hua; Zhai, Zhi-Wei","Dimethyl[(<i>E</i>)-(2-nitromethylidene-1,3-dithiolan-4-yl)methyl]amine","Acta Crystallographica Section E","2012","68","6","o1749","","10.1107/S1600536812021307","","","0.71073","MoKα","","0.0493","0.0433","","","0.0865","0.0898","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235065","26.267","0.0004","26.3371","0.0004","15.9037","0.0003","90","","111.871","0.0019","90","","10210.2","0.3","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[2-(4-Hydroxyphenyl)ethyl]-3-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C416 H544 N96 O64 -","32","8","HG5217","Öztürk Yildirim, Sema; Butcher, Ray J.; Ünlüer, Dilek; Köysal, Yavuz","4-[2-(4-Hydroxyphenyl)ethyl]-3-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1651","o1652","10.1107/S1600536812019447","","","1.54184","CuKα","","0.0435","0.0397","","","0.1045","0.1084","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235066","15.6869","0.0004","11.0215","0.0002","23.0217","0.0016","90","","90","","90","","3980.3","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl- 2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","","- C23 H25 Br O4 -","- C23 H25 Br O4 -","- C184 H200 Br8 O32 -","8","1","HG5218","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Fanwick, Phillip E.; Potgeiter, Herman","7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2012","68","6","o1710","","10.1107/S1600536812021034","","","1.54178","CuKα","","0.0551","0.0415","","","0.0984","0.1073","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235067","24.0691","0.0006","12.5847","0.0002","12.4179","0.0003","90","","101.857","0.002","90","","3681.16","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-\ κ^2^<i>N</i>^2^,<i>S</i>}nickel(II)","","- C38 H42 N4 Ni O2 S4 -","- C38 H42 N4 Ni O2 S4 -","- C152 H168 N16 Ni4 O8 S16 -","4","0.5","HG5219","Tan, Ming-Yueh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II)","Acta Crystallographica Section E","2012","68","6","m725","m726","10.1107/S1600536812019289","","","0.71073","MoKα","","0.0358","0.0296","","","0.075","0.079","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235068","8.2103","0.0001","9.8329","0.0001","20.3686","0.0002","90","","90","","90","","1644.38","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Methyl-3,3-bis(phenylsulfanyl)piperidin-2-one","","- C18 H19 N O S2 -","- C18 H19 N O S2 -","- C72 H76 N4 O4 S8 -","4","1","HG5220","Caracelli, Ignez; Olivato, Paulo R.; Cerqueira Jr, Carlos R.; Santos, Jean M. M.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Methyl-3,3-bis(phenylsulfanyl)piperidin-2-one","Acta Crystallographica Section E","2012","68","6","o1793","o1794","10.1107/S1600536812021277","","","1.54184","CuKα","","0.0255","0.0251","","","0.0664","0.0666","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235069","6.78","0.0005","18.741","0.002","6.6106","0.0005","90","","93.782","0.008","90","","838.14","0.13","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquadichloridobis[quinazolin-4(1<i>H</i>)-one-κ<i>N</i>^3^]nickel(II)","","- C16 H16 Cl2 N4 Ni O4 -","- C16 H16 Cl2 N4 Ni O4 -","- C32 H32 Cl4 N8 Ni2 O8 -","2","0.5","HG5221","Shomurotova, Shirin; Turgunov, Kambarali K.; Mukhamedov, Nasir; Tashkhodjaev, Bakhodir","Diaquadichloridobis[quinazolin-4(1<i>H</i>)-one-κ<i>N</i>^3^]nickel(II)","Acta Crystallographica Section E","2012","68","6","m724","","10.1107/S1600536812019381","","","1.54184","CuKα","","0.0936","0.0522","","","0.1218","0.1387","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235070","31.5065","0.0011","8.0802","0.0002","20.0948","0.0009","90","","115.722","0.005","90","","4608.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","10-Hydroxybenzo[<i>h</i>]quinolin-1-ium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) methanol monosolvate","","- C20 H18 Cl4 N2 O4 Sn -","- C20 H18 Cl4 N2 O4 Sn -","- C160 H144 Cl32 N16 O32 Sn8 -","8","1","HG5222","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","10-Hydroxybenzo[<i>h</i>]quinolin-1-ium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) methanol monosolvate","Acta Crystallographica Section E","2012","68","6","m743","","10.1107/S1600536812019605","","","0.71073","MoKα","","0.0391","0.0281","","","0.0591","0.0651","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235071","16.2352","0.0008","13.6934","0.0006","7.89","0.0004","90","","102.606","0.005","90","","1711.78","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methyl-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)- 1,2,3,4-tetrahydroquinazoline-2,4-dione","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","HG5224","El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","6-Methyl-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione","Acta Crystallographica Section E","2012","68","6","o1768","o1769","10.1107/S1600536812020429","","","0.71073","MoKα","","0.0644","0.0463","","","0.1149","0.1286","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235072","7.6179","0.0003","9.8168","0.0004","11.7009","0.0006","73.937","0.004","83.651","0.003","80.942","0.003","828.31","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)- 1,2,3,4-tetrahydroquinazoline-2,4-dione","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C38 H34 Cl2 N4 O6 -","2","1","HG5225","El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","6-Chloro-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione","Acta Crystallographica Section E","2012","68","6","o1770","o1771","10.1107/S1600536812020405","","","0.71073","MoKα","","0.0545","0.0409","","","0.1028","0.1139","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235073","66.849","0.0016","22.1076","0.0004","6.5109","0.0001","90","","90","","90","","9622.3","0.3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(Adamantan-1-yl)-4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione dichloromethane hemisolvate","","- C49 H68 Cl2 N10 S2 -","- C49 H68 Cl2 N10 S2 -","- C392 H544 Cl16 N80 S16 -","8","0.5","HG5226","El-Emam, Ali A.; Al-Omar, Mohamed A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","6","o1772","o1773","10.1107/S1600536812021393","","","1.54184","CuKα","","0.045","0.0445","","","0.1256","0.1262","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235074","9.8809","0.0004","10.0167","0.0003","15.528","0.0005","83.687","0.003","77.864","0.003","88.769","0.003","1493.41","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-Ethenyl-1-(4-methylphenylsulfonyl)-1<i>H</i>-indole","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","2","HG5227","Zukerman-Schpector, Julio; Wulf, Glaudeston D.; Stefani, Hélio A.; Vasconcelos, Stanley N. S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Ethenyl-1-(4-methylphenylsulfonyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","6","o1829","o1830","10.1107/S1600536812021526","","","1.54184","CuKα","","0.0745","0.0688","","","0.1788","0.1845","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235075","8.923","0.0004","9.8752","0.0004","12.9613","0.0005","98.037","0.003","105.866","0.004","104.533","0.004","1036.46","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>O</i>-Propyl <i>N</i>-phenylthiocarbamate","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","2","HG5228","Sudkaow, Panyapon; Yeo, Chien Ing; Ng, Seik Weng; Tiekink, Edward R. T.","<i>O</i>-Propyl <i>N</i>-phenylthiocarbamate","Acta Crystallographica Section E","2012","68","6","o1774","","10.1107/S160053681202140X","","","1.54184","CuKα","","0.0309","0.0297","","","0.0804","0.0814","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235076","11.2716","0.0004","12.1741","0.0004","13.897","0.0005","115.449","0.003","100.734","0.003","97.258","0.003","1645.39","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,<i>S</i>-dimethyldithiocarbazate- κ^2^<i>N</i>^3^,<i>S</i>)(nitrato-κ<i>O</i>)copper(II) nitrate","","- C6 H16 Cu N6 O6 S4 -","- C6 H16 Cu N6 O6 S4 -","- C24 H64 Cu4 N24 O24 S16 -","4","2","HG5229","Hazari, Saroj K. S.; Dey, B. K.; Ganguly, B.; Ng, Seik Weng; Tiekink, Edward R. T.","Bis(2,<i>S</i>-dimethyldithiocarbazate-κ^2^<i>N</i>^3^,<i>S</i>)(nitrato-κ<i>O</i>)copper(II) nitrate","Acta Crystallographica Section E","2012","68","6","m779","m780","10.1107/S1600536812021423","","","0.71073","MoKα","","0.0803","0.0587","","","0.1538","0.1647","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235077","13.373","0.003","13.383","0.003","18.303","0.004","89.31","0.03","88.73","0.03","73.67","0.03","3142.7","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-{3-[(2,6-diisopropylphenyl)imino] butan-2-yl}azanide trichloridostannate(II)","","- C28 H43 Cl3 N2 Sn -","- C28 H43 Cl3 N2 Sn -","- C112 H172 Cl12 N8 Sn4 -","4","2","HP2032","Ma, Xiaoli; Sun, Shuai; Hao, Pengfei; Yang, Ying; Yang, Zhi","<i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-{3-[(2,6-diisopropylphenyl)imino]butan-2-yl}azanide trichloridostannate(II)","Acta Crystallographica Section E","2012","68","6","m719","m720","10.1107/S1600536812014729","","","0.71073","MoKα","","0.0538","0.0387","","","0.077","0.0854","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235078","8.8301","0.0003","14.8153","0.0005","14.1688","0.0005","90","","90.097","0.002","90","","1853.57","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ-diisopropylphosphanido- κ^2^<i>P</i>:<i>P</i>)bis[hydrido(triisopropylphosphane- κ<i>P</i>)platinum(II)]","","- C30 H72 P4 Pt2 -","- C30 H72 P4 Pt2 -","- C60 H144 P8 Pt4 -","2","0.5","HP2036","Arnold, Nicole; Braunschweig, Holger; Damme, Alexander","Bis(μ-diisopropylphosphanido-κ^2^<i>P</i>:<i>P</i>)bis[hydrido(triisopropylphosphane-κ<i>P</i>)platinum(II)]","Acta Crystallographica Section E","2012","68","6","m808","","10.1107/S1600536812022829","","","0.71073","MoKα","","0.023","0.0178","","","0.0369","0.0382","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235079","16.3315","0.0005","11.1597","0.0003","7.6876","0.0003","90","","100.661","0.001","90","","1376.92","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Uyi C16","4-[(4-Methoxybenzylidene)amino]benzenesulfonamide","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","1","HY2541","Idemudia, Omoruyi G.; Sadimenko, Alexander P.; Afolayan, Anthony J.; Hosten, Eric C.","4-[(4-Methoxybenzylidene)amino]benzenesulfonamide","Acta Crystallographica Section E","2012","68","6","o1599","","10.1107/S1600536812018818","","","0.71073","MoKα","","0.0443","0.0353","","","0.0874","0.0949","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235080","7.408","0.002","9.808","0.003","17.28","0.006","76.238","0.007","89.203","0.007","67.867","0.005","1125.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[2-(2-aminoethyl)-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^](nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) chloride trihydrate","","- C18 H28 Cl Co N7 O6 -","- C18 H28 Cl Co N7 O6 -","- C36 H56 Cl2 Co2 N14 O12 -","2","1","HY2542","Zhao, Jing; Zhang, Heng; Zhu, Guoyi","Bis[2-(2-aminoethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^](nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) chloride trihydrate","Acta Crystallographica Section E","2012","68","6","m711","m712","10.1107/S1600536812018612","","","0.71073","MoKα","","0.0764","0.0495","","","0.1199","0.1313","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235081","30.0648","0.0007","8.2468","0.0002","27.3311","0.0006","90","","90","","90","","6776.4","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aqua(2,6-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II) 2,6-dihydroxybenzoate hemihydrate","","- C38 H29 Mn N4 O9.5 -","- C38 H29 Mn N4 O9.5 -","- C304 H232 Mn8 N32 O76 -","8","1","HY2545","Li, Quanwei; He, Li; Jin, Hongxiao","Aqua(2,6-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 2,6-dihydroxybenzoate hemihydrate","Acta Crystallographica Section E","2012","68","6","m798","","10.1107/S1600536812022155","","","1.54184","CuKα","","0.0554","0.0385","","","0.092","0.1066","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235082","24.6913","0.0008","24.6913","0.0008","7.962","0.0005","90","","90","","120","","4203.8","0.3","184","2","184","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis(2-aminomethyl-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(nitrato-κ<i>O</i>)copper(II)","","- C16 H18 Cu N8 O6 -","- C16 H18 Cu N8 O6 -","- C144 H162 Cu9 N72 O54 -","9","0.5","HY2548","Zhao, Jing; Zhang, Heng; Zhai, Xueliang; Zhu, Guoyi","Bis(2-aminomethyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2012","68","6","m767","","10.1107/S1600536812020910","","","0.71073","MoKα","","0.0239","0.0233","","","0.063","0.0634","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235083","20.73","0.03","12.004","0.018","19.83","0.03","90","","90","","90","","4935","13","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^<i>P</i>,<i>S</i>]copper(I) hexafluoridophosphate","","- C50 H44 Cu F6 P5 S2 -","- C50 H44 Cu F6 P5 S2 -","- C200 H176 Cu4 F24 P20 S8 -","4","0.5","HY2551","Zhang, Jing-Jing; Hu, Feng; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^<i>P</i>,<i>S</i>]copper(I) hexafluoridophosphate","Acta Crystallographica Section E","2012","68","6","m841","","10.1107/S160053681202346X","","","0.71073","MoKα","","0.0942","0.0531","","","0.1294","0.1524","","","","","","1.027","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235084","25.173","0.007","9.28","0.002","12.531","0.003","90","","91.741","0.003","90","","2926","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 2-butyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazine-3-carboxylate","","- C14 H17 N O5 S -","- C14 H17 N O5 S -","- C112 H136 N8 O40 S8 -","8","1","IM2370","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Ahmed, Waseem; Asiri, Abdullah M.","Methyl 2-butyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2012","68","6","o1663","","10.1107/S1600536812019733","","","0.71073","MoKα","","0.0741","0.0695","","","0.2068","0.2097","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235085","7.5884","0.0007","9.4499","0.0009","23.839","0.002","89.004","0.0009","81.484","0.001","74.078","0.001","1625.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(5,6-dimethyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(pyridine-2,6- dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)","","- C34 H33 N7 Ni O4 -","- C34 H33 N7 Ni O4 -","- C68 H66 N14 Ni2 O8 -","2","1","IM2371","Li, Yue-Hua; Li, Feng-Feng; Liu, Xin-Hua; Zhao, Ling-Yan","Tris(5,6-dimethyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)","Acta Crystallographica Section E","2012","68","6","m739","","10.1107/S1600536812019502","","","0.71073","MoKα","","0.0369","0.0318","","","0.0828","0.0868","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235086","5.6682","0.0011","7.3927","0.0015","13.817","0.003","93.81","0.03","94.22","0.03","91.27","0.03","575.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Propanaminium <i>p</i>-toluenesulfonate","","- C10 H17 N O3 S -","- C10 H17 N O3 S -","- C20 H34 N2 O6 S2 -","2","1","IM2372","Jin, Yu","Propanaminium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2012","68","6","o1648","","10.1107/S1600536812019435","","","0.71073","MoKα","","0.0957","0.0687","","","0.172","0.1893","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235087","9.281","0.0019","9.994","0.002","11.885","0.002","100.35","0.03","96.73","0.03","117.42","0.03","937","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","2-cyano-9,9-dibutyfluorene","9,9-Dibutyl-9<i>H</i>-fluorene-2-carbonitrile","","- C22 H25 N -","- C22 H25 N -","- C44 H50 N2 -","2","1","IM2373","Zhao, Dong-dong; Jiang, Peng; Zhu, Hong-Jun","9,9-Dibutyl-9<i>H</i>-fluorene-2-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1903","","10.1107/S1600536812022672","","","0.71073","MoKα","","0.12","0.0676","","","0.1632","0.1859","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235088","12.879","0.0003","9.9086","0.0002","15.5311","0.0004","90","","106.368","0.002","90","","1901.64","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(3-chloro-acetilacetonato)aluminium(III)","Tris(3-chloropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')aluminium","","- C15 H18 Al Cl3 O6 -","- C15 H18 Al Cl3 O6 -","- C60 H72 Al4 Cl12 O24 -","4","0.5","IM2374","Perdih, Franc","Tris(3-chloropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')aluminium","Acta Crystallographica Section E","2012","68","6","m806","","10.1107/S1600536812023203","","","0.71073","MoKα","","0.053","0.0419","","","","0.1251","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235089","15.7745","0.0004","9.5424","0.0002","12.9833","0.0003","90","","100.61","0.001","90","","1920.92","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(3-chloro-acetilacetonato)iron(III)","Tris(3-chloropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iron(III)","","- C15 H18 Cl3 Fe O6 -","- C15 H18 Cl3 Fe O6 -","- C60 H72 Cl12 Fe4 O24 -","4","0.5","IM2375","Perdih, Franc","Tris(3-chloropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iron(III)","Acta Crystallographica Section E","2012","68","6","m807","","10.1107/S1600536812023215","","","0.71073","MoKα","","0.0486","0.044","","","","0.1267","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235090","10.4702","0.0009","10.4851","0.0009","10.5169","0.0009","117.567","0.001","100.398","0.001","95.257","0.001","986.15","0.15","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","3-{2-[(1,3-Benzothiazol-2-yl)sulfanylmethyl]phenyl}-4-methoxy- 5,5-dimethylfuran-2(5<i>H</i>)-one","","- C21 H19 N O3 S2 -","- C21 H19 N O3 S2 -","- C42 H38 N2 O6 S4 -","2","1","IM2376","Duan, Anna; Yang, Haikui; Zhao, Peiliang; You, Wenwei","3-{2-[(1,3-Benzothiazol-2-yl)sulfanylmethyl]phenyl}-4-methoxy-5,5-dimethylfuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1854","","10.1107/S1600536812022404","","","0.71073","MoKα","","0.065","0.0447","","","0.1005","0.1092","","","","","","0.897","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235091","8.9493","0.0003","16.8206","0.0007","23.7697","0.0009","90","","90","","90","","3578.1","0.2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-[(Dimethylamino)methyl]-1,1'-bis(diphenylphosphinothioyl)ferrocene dichloromethane monosolvate","","- C38 H37 Cl2 Fe N P2 S2 -","- C37 H35 Fe N P2 S2 -","- C148 H140 Fe4 N4 P8 S8 -","4","1","IM2377","Philippe, Elisabeth; Manoury, Eric; Daran, Jean-Claude","(<i>R</i>)-2-[(Dimethylamino)methyl]-1,1'-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate","Acta Crystallographica Section E","2012","68","6","m799","m800","10.1107/S1600536812022301","","","0.71073","MoKα","","0.0477","0.0419","","","0.1","0.1021","","","","","","1.093","","","","has coordinates,has Fobs","192351","2020-10-21","18:00:00",""
"2235092","26.7189","0.0018","10.1226","0.0007","24.7622","0.0017","90","","96.421","0.001","90","","6655.3","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~-benzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)bis(pyridine- κ<i>N</i>)cobalt(II)]","","- C18 H14 Co N2 O4 -","- C18 H14 Co N2 O4 -","- C288 H224 Co16 N32 O64 -","16","2","IS5111","Xie, Fengxia; Zhang, Dan; Zhang, Xinxin","Poly[(μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)bis(pyridine-κ<i>N</i>)cobalt(II)]","Acta Crystallographica Section E","2012","68","6","m755","","10.1107/S1600536812020028","","","0.71073","MoKα","","0.0766","0.0592","","","0.1324","0.1423","","","","","","1.077","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235093","7.0165","0.0006","13.3336","0.0011","14.4498","0.0012","90","","94.791","0.002","90","","1347.1","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-1-(2,4-dinitrophenyl)-2-(1-(3-fluorophenyl)ethylidene)hydrazine","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(3-fluorophenyl)ethylidene]hydrazine","","- C14 H11 F N4 O4 -","- C14 H11 F N4 O4 -","- C56 H44 F4 N16 O16 -","4","1","IS5116","Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat; Jansrisewangwong, Patcharaporn; Fun, Hoong-Kun","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(3-fluorophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","6","o1644","o1645","10.1107/S160053681201937X","","","0.71073","MoKα","","0.0635","0.0522","","","0.1461","0.1545","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235094","16.8289","0.0007","10.5919","0.0005","11.4752","0.0005","90","","99.967","0.001","90","","2014.58","0.15","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","7,8-Dispirocyclohexyl-7,8-dihydrodibenzo[<i>f</i>,<i>h</i>][1,4]dioxecine-5, 10-dione","1,1'-Bicyclohexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","0.5","IS5122","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong; Zhang, Yan","1,1'-Bicyclohexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1627","","10.1107/S1600536812018478","","","0.71073","MoKα","","0.0381","0.035","","","0.1046","0.1073","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235095","14.0049","0.0005","10.8637","0.0004","12.719","0.0005","90","","110.15","0.001","90","","1816.69","0.12","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7-(4-Methoxyphenyl)-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5,10-dione","1-(4-Methoxyphenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","IS5123","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong","1-(4-Methoxyphenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1628","","10.1107/S160053681201848X","","","0.71073","MoKα","","0.0479","0.0406","","","0.1159","0.122","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235096","16.7647","0.0003","10.2618","0.0002","11.5755","0.0002","90","","99.81","0.001","90","","1962.28","0.06","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7,8-Dispirohexyl-7,8-dihydro-[1,4]dioxecino[7,6-b:8,9-b']dipyridine-5,10-dione","1,1'-Bicyclohexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxylate","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","0.5","IS5124","Fun, Hoong-Kun; Lim, Ming Yeng; Quah, Ching Kheng; Wu, Dongdong","1,1'-Bicyclohexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1629","","10.1107/S1600536812018508","","","0.71073","MoKα","","0.0535","0.0434","","","0.1115","0.1194","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235097","26.3197","0.0014","9.4184","0.0005","13.3606","0.0007","90","","100.092","0.001","90","","3260.7","0.3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","7,8-Dispirocyclopropyl-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5,10-dione","1,1'-Bicyclopropyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C20 H16 O4 -","- C20 H16 O4 -","- C160 H128 O32 -","8","1","IS5125","Fun, Hoong-Kun; Quah, Ching Kheng; Xu, Kai","1,1'-Bicyclopropyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1630","","10.1107/S160053681201851X","","","0.71073","MoKα","","0.0658","0.0431","","","0.1112","0.1244","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235098","4.4961","0.0001","13.4412","0.0005","14.4588","0.0005","70.62","0.002","85.956","0.002","83.063","0.002","817.81","0.05","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","3-Benzyl-7-(2,4-dichlorophenyl)-4<i>H</i>-1,3,4- thiadiazolo[2,3-<i>c</i>][1,2,4]triazin-4-one","","- C17 H10 Cl2 N4 O S -","- C17 H10 Cl2 N4 O S -","- C34 H20 Cl4 N8 O2 S2 -","2","1","IS5127","Fun, Hoong-Kun; Arshad, Suhana; Sarojini, B. K.; Imran, U. A.; Krishna, B.G.","3-Benzyl-7-(2,4-dichlorophenyl)-4<i>H</i>-1,3,4-thiadiazolo[2,3-<i>c</i>][1,2,4]triazin-4-one","Acta Crystallographica Section E","2012","68","6","o1736","o1737","10.1107/S1600536812021253","","","0.71073","MoKα","","0.1144","0.06","","","0.1066","0.1286","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235099","10.6464","0.0002","9.9178","0.0002","14.7885","0.0002","90","","120.244","0.001","90","","1348.96","0.04","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-anilino-3-nitrobenzoate","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","IS5128","Yoon, Yeong Keng; Manogaran, Elumalai; Ali, Mohamed Ashraf; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 4-anilino-3-nitrobenzoate","Acta Crystallographica Section E","2012","68","6","o1684","","10.1107/S1600536812019903","","","0.71073","MoKα","","0.0752","0.0467","","","0.1105","0.1244","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235100","7.1655","0.0001","17.3895","0.0003","13.6202","0.0002","90","","110.875","0.001","90","","1585.74","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(4-Ethoxybenzylidene)-4-hydroxybenzohydrazide dihydrate","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","IS5130","Fun, Hoong-Kun; Horkaew, Jirapa; Chantrapromma, Suchada; Karalai, Chatchanok","(<i>E</i>)-<i>N</i>'-(4-Ethoxybenzylidene)-4-hydroxybenzohydrazide dihydrate","Acta Crystallographica Section E","2012","68","6","o1655","o1656","10.1107/S1600536812019356","","","0.71073","MoKα","","0.0781","0.0548","","","0.1363","0.1554","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235101","7.5243","0.0003","14.1861","0.0006","12.4488","0.0006","90","","107.508","0.001","90","","1267.23","0.1","100","1","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one","","- C13 H11 Br N2 O S -","- C13 H11 Br N2 O S -","- C52 H44 Br4 N8 O4 S4 -","4","2","IS5131","Ghabbour, Hazem A.; Kadi, Adnan A.; El-Subbagh, Hussein I.; Chia, Tze Shyang; Fun, Hoong-Kun","1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one","Acta Crystallographica Section E","2012","68","6","o1738","o1739","10.1107/S160053681201954X","","","0.71073","MoKα","","0.0305","0.0265","","","0.0498","0.0508","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235102","7.4873","0.0002","8.0359","0.0002","10.6428","0.0003","86.571","0.002","77.633","0.002","85.33","0.002","622.82","0.03","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","5-Bromo-4-(3,4-dimethoxyphenyl)thiazol-2-amine","","- C11 H11 Br N2 O2 S -","- C11 H11 Br N2 O2 S -","- C22 H22 Br2 N4 O4 S2 -","2","1","IS5132","Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","5-Bromo-4-(3,4-dimethoxyphenyl)thiazol-2-amine","Acta Crystallographica Section E","2012","68","6","o1631","o1632","10.1107/S1600536812019320","","","0.71073","MoKα","","0.0397","0.0242","","","0.0638","0.0714","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235103","13.7046","0.0003","5.3216","0.0001","20.4401","0.0005","90","","119.612","0.002","90","","1296.01","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone","","- C14 H11 F O3 S -","- C14 H11 F O3 S -","- C56 H44 F4 O12 S4 -","4","1","IS5133","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone","Acta Crystallographica Section E","2012","68","6","o1659","","10.1107/S1600536812019666","","","1.54178","CuKα","","0.0414","0.0367","","","0.1013","0.1053","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235104","8.3834","0.0003","7.1852","0.0002","23.5264","0.0008","90","","93.203","0.003","90","","1414.93","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Ethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","IS5134","Al-Said, Mansour S.; Ghorab, Mostafa M.; Ghabbour, Hazem A.; Arshad, Suhana; Fun, Hoong-Kun","1-(3-Ethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1679","","10.1107/S1600536812019927","","","1.54178","CuKα","","0.0594","0.0474","","","0.1515","0.1614","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235105","5.9114","0.0002","7.5424","0.0002","13.994","0.0004","81.274","0.002","88.828","0.003","69.119","0.003","575.83","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-Dimethylamino-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one","","- C11 H15 N O S -","- C11 H15 N O S -","- C22 H30 N2 O2 S2 -","2","1","IS5136","Ghorab, Mostafa M.; Al-Said, Mansour S.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","(<i>E</i>)-3-Dimethylamino-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1712","o1713","10.1107/S1600536812021022","","","1.54178","CuKα","","0.045","0.0393","","","0.1074","0.1137","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235106","9.3357","0.0002","9.7982","0.0002","11.7718","0.0004","107.502","0.002","102.106","0.002","109.539","0.001","908.31","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-chlorophenyl)-1-phenyl-1<i>H</i>-benzimidazole-5-carboxylate","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C44 H34 Cl2 N4 O4 -","2","1","IS5137","Yoon, Yeong Keng; Manogaran, Elumalai; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 2-(4-chlorophenyl)-1-phenyl-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","6","o1863","","10.1107/S1600536812022192","","","0.71073","MoKα","","0.0643","0.048","","","0.1168","0.1267","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235107","27.9097","0.0004","5.7319","0.0001","7.1437","0.0001","90","","102.473","0.001","90","","1115.84","0.03","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-Bis(4-fluorophenyl)isoxazole","","- C15 H9 F2 N O -","- C15 H9 F2 N O -","- C60 H36 F8 N4 O4 -","4","0.5","IS5139","Fun, Hoong-Kun; Arshad, Suhana; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","3,5-Bis(4-fluorophenyl)isoxazole","Acta Crystallographica Section E","2012","68","6","o1783","","10.1107/S160053681202171X","","","0.71073","MoKα","","0.0512","0.0451","","","0.1266","0.1312","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235108","6.1851","0.0012","12.759","0.003","22.698","0.005","90","","90","","90","","1791.2","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","","- C19 H22 Br N O -","- C19 H22 Br N O -","- C76 H88 Br4 N4 O4 -","4","1","IS5140","Balamurugan, P.; Raja, K. Kanmani; Rani, S. Kutti; Chakkaravarthi, G.; Rajagopal, G.","(<i>E</i>)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","6","o1782","","10.1107/S1600536812021605","","","0.71073","MoKα","","0.082","0.0402","","","0.0865","0.1004","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235109","12.6844","0.0003","16.1933","0.0004","9.4579","0.0002","90","","94.288","0.002","90","","1937.24","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>- benzo[<i>h</i>]chromene-3-carboxylate","","- C23 H20 F N O4 -","- C23 H20 F N O4 -","- C92 H80 F4 N4 O16 -","4","1","IS5141","El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Amr, Abdel-Galil E.; Chia, Tze Shyang; Fun, Hoong-Kun","Ethyl 2-amino-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2012","68","6","o1803","o1804","10.1107/S1600536812021939","","","1.54178","CuKα","","0.0464","0.0392","","","0.1114","0.1167","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235110","8.4768","0.0001","11.4765","0.0002","11.9091","0.0002","75.206","0.001","72.553","0.001","69.416","0.001","1020.02","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,5-Bis(2-oxoindolin-3-ylidene)thiocarbonohydrazide tetrahydrofuran monosolvate","","- C21 H20 N6 O3 S -","- C21 H20 N6 O3 S -","- C42 H40 N12 O6 S2 -","2","1","IS5142","Pezeshkpour, Shaghayegh; Khaledi, Hamid; Mohd Ali, Hapipah","1,5-Bis(2-oxoindolin-3-ylidene)thiocarbonohydrazide tetrahydrofuran monosolvate","Acta Crystallographica Section E","2012","68","6","o1870","","10.1107/S1600536812022714","","","0.71073","MoKα","","0.0501","0.0398","","","0.113","0.1209","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235111","8.042","0.005","13.187","0.008","13.408","0.008","97.406","0.009","92.956","0.01","95.916","0.009","1399.5","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1<i>H</i>-1,2,4-triazole- 5(4<i>H</i>)-thione","","- C12 H13 Br N4 O S -","- C12 H13 Br N4 O S -","- C48 H52 Br4 N16 O4 S4 -","4","2","JJ2128","Wu, Xin; Yuan, Cai-Xia; Ma, Ling; Zhai, Kai-Lu; Zhu, Miao-Li","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1674","","10.1107/S1600536812019745","","","0.71073","MoKα","","0.09","0.0433","","","0.0908","0.1017","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235112","19.657","0.004","7.586","0.0015","22.436","0.005","90","","90","","90","","3345.6","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C144 H136 Cl8 O32 -","8","1","JJ2129","Zou, Baohua; Fang, Zheng; Zhong, Hui; Guo, Kai; Wei, Ping","Methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","Acta Crystallographica Section E","2012","68","6","o1676","","10.1107/S1600536812019812","","","0.71073","MoKα","","0.1794","0.0672","","","0.1407","0.1942","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235113","22.0667","0.0008","9.0192","0.0003","17.4088","0.0006","90","","90","","90","","3464.8","0.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","","- C16 H20 Cu N2 O5 -","- C16 H20 Cu N2 O5 -","- C128 H160 Cu8 N16 O40 -","8","1","JJ2130","Kaewthong, Aphiwat; Sukwattanasinitt, Mongkol; Muangsin, Nongnuj","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","Acta Crystallographica Section E","2012","68","6","m775","","10.1107/S1600536812020193","","","0.71073","MoKα","","0.0931","0.0578","","","","0.1719","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235114","8.349","0.007","17.406","0.014","12.639","0.01","90","","107.863","0.009","90","","1748","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(Diphenylphosphoryl)(hydroxy)methyl]-5-methoxyphenol","","- C20 H19 O4 P -","- C20 H19 O4 P -","- C80 H76 O16 P4 -","4","1","JJ2135","Shao, Yutian; Yang, Chao; Xia, Wujiong","2-[(Diphenylphosphoryl)(hydroxy)methyl]-5-methoxyphenol","Acta Crystallographica Section E","2012","68","6","o1708","","10.1107/S1600536812020685","","","0.71073","MoKα","","0.0713","0.0444","","","0.1011","0.1143","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235115","8.104","0.0005","8.8872","0.0009","12.1606","0.0008","81.491","0.001","82.009","0.001","79.133","0.001","845.07","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-Cyanopyridinium dihydrogen phosphate‒isonicotinonitrile‒phosphoric acid (1/1/1)","","- C12 H14 N4 O8 P2 -","- C12 H14 N4 O8 P2 -","- C24 H28 N8 O16 P4 -","2","1","JJ2136","Wang, Ying-Chun","4-Cyanopyridinium dihydrogen phosphate‒isonicotinonitrile‒phosphoric acid (1/1/1)","Acta Crystallographica Section E","2012","68","6","o1693","o1694","10.1107/S1600536812020430","","","0.71073","MoKα","","0.0343","0.0298","","","0.0867","0.0961","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235116","13.677","0.003","16.42","0.003","7.949","0.0016","90","","90","","90","","1785.2","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","","- C19 H19 Cl O4 -","- C19 H19 Cl O4 -","- C76 H76 Cl4 O16 -","4","1","JJ2137","Yang, Zhao; Wang, Zhi-Xiang","Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","Acta Crystallographica Section E","2012","68","6","o1750","","10.1107/S1600536812021149","","","0.71073","MoKα","","0.1338","0.0683","","","0.1488","0.1796","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235117","10.9719","0.0004","11.6186","0.0003","14.0431","0.0005","71.009","0.002","85.291","0.002","68.798","0.002","1576.88","0.09","90","0.5","90","0.5","101.3","","","","","","","4","P -1","-P 1","2","","<i>syn</i>-5,10,15-Tris(dichloromethyl)-5,10,15-trihydroxy- 5<i>H</i>-diindeno[1,2-<i>a</i>:1',2'-<i>c</i>]fluorene dichloromethane 0.82-solvate","","- C30.82 H19.64 Cl7.64 O3 -","- C30 H18 Cl6 O3 -","- C60 H36 Cl12 O6 -","2","1","KJ2201","Morrison, Gregory W.; Fronczek, Frank R.; Watkins, Steven F.","<i>syn</i>-5,10,15-Tris(dichloromethyl)-5,10,15-trihydroxy-5<i>H</i>-diindeno[1,2-<i>a</i>:1',2'-<i>c</i>]fluorene dichloromethane 0.82-solvate","Acta Crystallographica Section E","2012","68","6","o1755","o1756","10.1107/S1600536812020703","","","0.71073","MoKα","","","0.0525","","","","0.1555","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235118","4.5946","0.0003","20.155","0.0019","18.2192","0.0017","90","","96.66","0.005","90","","1675.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-2-(2-Chlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride dihydrate","","- C16 H17 Cl2 N3 O2 -","- C16 H17 Cl2 N3 O2 -","- C64 H68 Cl8 N12 O8 -","4","1","KJ2202","Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.; de Ferreira, Marcelle; de Souza, Marcus V. N.; Kaiser, Carlos R.","4-[(<i>E</i>)-2-(2-Chlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride dihydrate","Acta Crystallographica Section E","2012","68","6","o1850","o1851","10.1107/S1600536812022660","","","0.71073","MoKα","","0.2001","0.0955","","","0.1682","0.2234","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235119","9.8575","0.0002","16.8894","0.0003","18.9812","0.0004","110.444","0.001","96.082","0.001","93.384","0.001","2928.74","0.1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","Dibenzylazanium (oxalato-κ^2^<i>O</i>,<i>O</i>')triphenylstannate(IV)","","- C34 H31 N O4 Sn -","- C34 H31 N O4 Sn -","- C136 H124 N4 O16 Sn4 -","4","4","KP2394","Gueye, Ndongo; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabrielle","Dibenzylazanium (oxalato-κ^2^<i>O</i>,<i>O</i>')triphenylstannate(IV)","Acta Crystallographica Section E","2012","68","6","m854","m855","10.1107/S1600536812021125","","","0.71073","MoKα","","0.0406","0.0311","","","0.0662","0.0702","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235120","12.4457","0.0003","15.5804","0.0004","27.171","0.0008","90","","90","","90","","5268.7","0.2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","12α-Hydroxy-3,27-dioxooleanano-28,13-lactone","","- C30 H44 O5 -","- C30 H44 O5 -","- C240 H352 O40 -","8","2","KP2404","Hu, Jun-yi; Wu, Gang-gang; Xu, Ying-qian; Xiao, Guo-yong; Lei, Peng","12α-Hydroxy-3,27-dioxooleanano-28,13-lactone","Acta Crystallographica Section E","2012","68","6","o1586","","10.1107/S1600536812017783","","","0.71073","MoKα","","0.0444","0.0413","","","0.0937","0.0952","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235121","8.792","0.003","9.157","0.003","12.865","0.004","96.59","0.03","102.49","0.03","103.51","0.03","968.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodido-bis[(dimethyl 2,2'-biquinoline-4,4'-dicarboxylate- κ^2^<i>N</i>,<i>N</i>')copper(I)]","","- C44 H32 Cu2 I2 N4 O8 -","- C44 H32 Cu2 I2 N4 O8 -","- C44 H32 Cu2 I2 N4 O8 -","1","0.5","KP2406","Starosta, Radosław; Komarnicka, Urszula K.; Nagaj, Justyna; Stokowa-Sołtys, Kamila; Bykowska, Aleksandra","Di-μ-iodido-bis[(dimethyl 2,2'-biquinoline-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')copper(I)]","Acta Crystallographica Section E","2012","68","6","m756","m757","10.1107/S1600536812020843","","","0.71073","MoKα","","0.0364","0.0268","","","0.0627","0.0647","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235122","15.2994","0.0009","7.5421","0.0005","18.7248","0.0012","90","","107.596","0.004","90","","2059.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-6-Ethoxy-3,3a,4,9b-tetrahydro-1,3-diphenyl-1<i>H</i>- chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","KP2408","Paramasivam, S.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.","<i>rac</i>-6-Ethoxy-3,3a,4,9b-tetrahydro-1,3-diphenyl-1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1660","","10.1107/S160053681201906X","","","0.71073","MoKα","","0.1032","0.051","","","0.1368","0.1639","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235123","27.855","0.006","7.2061","0.0014","21.895","0.004","90","","125.03","0.03","90","","3598.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(4-chloroanilinium) hexachloridostannate(IV) dichloride","","- C24 H28 Cl12 N4 Sn -","- C24 H28 Cl12 N4 Sn -","- C96 H112 Cl48 N16 Sn4 -","4","0.5","KP2409","Zhou, Benhua; Liu, Hongxia","Tetrakis(4-chloroanilinium) hexachloridostannate(IV) dichloride","Acta Crystallographica Section E","2012","68","6","m782","","10.1107/S1600536812021666","","","0.71073","MoKα","","0.0367","0.0297","","","0.0646","0.0671","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235124","9.586","0.0019","26.01","0.005","7.139","0.0014","90","","112.04","0.03","90","","1649.9","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(4-Bromophenyl)-3,4,5-trimethoxybenzamide","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C64 H64 Br4 N4 O16 -","4","1","KP2410","Gu, Wen; Qiao, Chao","<i>N</i>-(4-Bromophenyl)-3,4,5-trimethoxybenzamide","Acta Crystallographica Section E","2012","68","6","o1658","","10.1107/S1600536812018946","","","0.71073","MoKα","","0.0683","0.0447","","","0.0862","0.0944","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235125","9.524","0.0014","9.6423","0.0014","14.024","0.002","97.897","0.002","109.415","0.003","107.453","0.002","1117.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","[2-Formyl-4-methyl-6-({2-[2-(4- nitrobenzylamino)ethylamino]ethylimino}methyl)phenolato]nickel(II) perchlorate","","- C20 H23 Cl N4 Ni O8 -","- C20 H23 Cl N4 Ni O8 -","- C40 H46 Cl2 N8 Ni2 O16 -","2","1","KP2412","Wang, Yang; Mao, Jia-Wei; Song, Hui-Ting; Zhou, Hong","[2-Formyl-4-methyl-6-({2-[2-(4-nitrobenzylamino)ethylamino]ethylimino}methyl)phenolato]nickel(II) perchlorate","Acta Crystallographica Section E","2012","68","6","m766","","10.1107/S1600536812021058","","","0.71073","MoKα","","0.0847","0.06","","","0.1316","0.1375","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235126","11.6046","0.0008","13.1937","0.001","7.9114","0.0006","90","","90","","90","","1211.3","0.15","150","2","150","2","","","","","","","","4","P c c 2","P 2 -2c","27","","4-Phenethoxyaniline hemihydrate","","- C14 H16 N O1.5 -","- C14 H16 N O1.5 -","- C56 H64 N4 O6 -","4","1","KP2413","Akhter, Toheed; Masood Siddiqi, Humaira; Akhter, Zareen; McKee, Vickie","4-Phenethoxyaniline hemihydrate","Acta Crystallographica Section E","2012","68","6","o1912","","10.1107/S1600536812022994","","","0.71073","MoKα","","0.0487","0.0414","","","0.1087","0.1149","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","192352","2020-10-21","18:00:00",""
"2235127","13.1009","0.0008","10.6538","0.0006","9.6611","0.0006","90","","100.276","0.003","90","","1326.81","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenyl-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyl-1-ethyne- 1-carboximidamidium bromide","","- C13 H17 Br N2 -","- C13 H17 Br N2 -","- C52 H68 Br4 N8 -","4","1","KP2415","Tiritiris, Ioannis; Kantlehner, Willi","3-Phenyl-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyl-1-ethyne-1-carboximidamidium bromide","Acta Crystallographica Section E","2012","68","6","o1812","","10.1107/S1600536812021873","","","0.71073","MoKα","","0.0305","0.021","","","0.0491","0.052","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235128","11.376","0.002","53.041","0.003","10.413","0.002","90","","90","","90","","6283.1","1.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate","","- C9 H13 Cl Cr N2 O11.5 -","- C9 H13 Cl Cr N2 O11.5 -","- C144 H208 Cl16 Cr16 N32 O184 -","16","1","KP2416","Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed","2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate","Acta Crystallographica Section E","2012","68","6","m824","m825","10.1107/S1600536812023392","","","0.71073","MoKα","","0.0342","0.0286","","","0.0712","0.0736","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235129","8.5646","0.0003","24.6447","0.0009","9.5363","0.0004","90","","101.341","0.002","90","","1973.54","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl- <i>N</i>'',<i>N</i>''-dipropylguanidinium chloride‒ (2<i>Z</i>)-2,3-diaminobut-2-enedinitrile (1/1)","","- C15 H30 Cl N7 -","- C15 H30 Cl N7 -","- C60 H120 Cl4 N28 -","4","1","KP2418","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>'',<i>N</i>''-dipropylguanidinium chloride‒(2<i>Z</i>)-2,3-diaminobut-2-enedinitrile (1/1)","Acta Crystallographica Section E","2012","68","6","o1944","","10.1107/S1600536812023264","","","0.71073","MoKα","","0.0981","0.0466","","","0.0893","0.1023","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235130","9.0826","0.0018","9.0606","0.0018","27.259","0.006","90","","99.46","0.03","90","","2212.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-phenyl-7- (trifluoromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine","","- C25 H13 Cl2 F4 N3 -","- C25 H13 Cl2 F4 N3 -","- C100 H52 Cl8 F16 N12 -","4","1","KP2419","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Sang, Yu-Li; Xu, Li-Feng","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2012","68","6","o1923","","10.1107/S1600536812023641","","","0.71073","MoKα","","0.0643","0.0506","","","0.1311","0.143","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235131","7.2028","0.0003","9.4423","0.0005","26.05","0.002","90","","91.742","0.007","90","","1770.87","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Diethylamino-2-[(<i>E</i>)-(2,4-dimethoxyphenyl)iminomethyl]phenol","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","LD2055","Kantar, Esen Nur; Köysal, Yavuz; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","5-Diethylamino-2-[(<i>E</i>)-(2,4-dimethoxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","6","o1587","","10.1107/S160053681201882X","","","0.71073","MoKα","","0.1439","0.0644","","","0.1199","0.1642","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235132","17.3573","0.0012","5.08","0.0004","21.6293","0.0017","90","","107.239","0.002","90","","1821.5","0.2","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2-Amino-3-carboxypyridinium perchlorate","","- C6 H7 Cl N2 O6 -","- C6 H7 Cl N2 O6 -","- C48 H56 Cl8 N16 O48 -","8","2","LD2056","Berrah, Fadila; Bouacida, Sofiane; Anana, Hayet; Roisnel, Thierry","2-Amino-3-carboxypyridinium perchlorate","Acta Crystallographica Section E","2012","68","6","o1601","o1602","10.1107/S1600536812018922","","","0.71073","MoKα","","0.0653","0.0485","","","0.1032","0.1099","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235133","11.217","0.002","10.067","0.002","15.793","0.003","90","","94.47","0.03","90","","1777.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phenyl]-3-phenyl- 2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","","- C21 H19 F N4 O -","- C21 H19 F N4 O -","- C84 H76 F4 N16 O4 -","4","1","LH5432","Wen, Qin-Mei; Yin, Ben-Tao; Yan, Cong-Yan; Zhou, Cheng-He","(<i>Z</i>)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phenyl]-3-phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1642","","10.1107/S1600536812018454","","","0.71073","MoKα","","0.0779","0.0478","","","0.1046","0.1184","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235134","7.0146","0.0005","8.2862","0.0006","8.9686","0.0007","70.499","0.007","83.82","0.006","74.204","0.006","472.75","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,6-Dichloro-7-isopropyl-7<i>H</i>-purine","","- C8 H8 Cl2 N4 -","- C8 H8 Cl2 N4 -","- C16 H16 Cl4 N8 -","2","1","LH5458","Hloušková, Nikola; Rouchal, Michal; Nečas, Marek; Vícha, Robert","2,6-Dichloro-7-isopropyl-7<i>H</i>-purine","Acta Crystallographica Section E","2012","68","6","o1585","","10.1107/S160053681201879X","","","0.71073","MoKα","","0.0292","0.0233","","","0.0597","0.0608","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235135","15.681","0.005","9.54","0.003","22.104","0.007","90","","110.201","0.006","90","","3103.3","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7-(6-Bromohexyloxy)-4-methyl-2<i>H</i>-chromen-2-one","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C128 H152 Br8 O24 -","8","1","LH5459","Zhang, Hui-Zhen; Li, Qing-Xia; Yin, Ben-Tao; Zhou, Cheng-He","7-(6-Bromohexyloxy)-4-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2012","68","6","o1709","","10.1107/S1600536812020442","","","0.71073","MoKα","","0.0775","0.0422","","","0.0993","0.1151","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235136","9.0599","0.0014","33.203","0.005","10.8082","0.0017","90","","112.013","0.002","90","","3014.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine- 1,4-dicarboxamide","","- C30 H42 N6 O2 -","- C30 H42 N6 O2 -","- C120 H168 N24 O8 -","4","1","LH5460","Sun, Na-Bo; Rao, Guo-Wu; Zhang, Li-Ling","<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","6","o1621","o1622","10.1107/S1600536812019186","","","0.71073","MoKα","","0.0777","0.0568","","","0.1405","0.1536","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235137","8.488","0.0017","10.502","0.002","33.45","0.007","90","","96.85","0.03","90","","2960.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Carbamoyl-2-methyl-1-(2-methylbenzyl)pyridinium bromide","","- C15 H17 Br N2 O -","- C15 H17 Br N2 O -","- C120 H136 Br8 N16 O8 -","8","1","LH5461","Kim, Kyung Beom; Yu, Seung Man; Kim, Cheal; Kim, Youngmee","5-Carbamoyl-2-methyl-1-(2-methylbenzyl)pyridinium bromide","Acta Crystallographica Section E","2012","68","6","o1609","o1610","10.1107/S1600536812018958","","","0.71073","MoKα","","0.0792","0.0415","","","0.0839","0.0959","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235138","9.4546","0.0019","10.487","0.002","27.532","0.005","90","","98.94","0.03","90","","2696.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)","","- C28 H21 N7 Ni O4 -","- C28 H21 N7 Ni O4 -","- C112 H84 N28 Ni4 O16 -","4","1","LH5462","Li, Yue-Hua; Li, Feng-Feng; Liu, Xin-Hua; Zhao, Ling-Yan","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)","Acta Crystallographica Section E","2012","68","6","m740","","10.1107/S1600536812019514","","","0.71073","MoKα","","0.1592","0.0858","","","0.1213","0.143","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235139","8.392","0.008","9.511","0.009","12.937","0.008","99.853","0.017","90.804","0.018","92.374","0.018","1016.2","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'^2^,<i>N</i>'^5^-Bis[(<i>E</i>)-2-hydroxybenzylidene]- 3,4-dimethylthiophene-2,5-dicarbohydrazide","","- C22 H20 N4 O4 S -","- C22 H20 N4 O4 S -","- C44 H40 N8 O8 S2 -","2","1","LH5463","Zhang, Shao-Lin; Zhang, Ling; Wen, Qin-Mei; Geng, Rong-Xia; Zhou, Cheng-He","<i>N</i>'^2^,<i>N</i>'^5^-Bis[(<i>E</i>)-2-hydroxybenzylidene]-3,4-dimethylthiophene-2,5-dicarbohydrazide","Acta Crystallographica Section E","2012","68","6","o1752","","10.1107/S1600536812020260","","","0.71073","MoKα","","0.0773","0.0471","","","0.1115","0.1278","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235140","10.46","0.003","11.816","0.003","13.561","0.003","75.128","0.004","75.725","0.004","72.298","0.004","1517.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6-Bromo-2-(diprop-2-ynylamino)-1<i>H</i>-benzo[<i>de</i>]isoquinoline- 1,3(2<i>H</i>)-dione","","- C18 H11 Br N2 O2 -","- C18 H11 Br N2 O2 -","- C72 H44 Br4 N8 O8 -","4","2","LH5464","Lv, Jing-Song; Wang, Jun-Lei; Zhou, Cheng-He","6-Bromo-2-(diprop-2-ynylamino)-1<i>H</i>-benzo[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","6","o1852","","10.1107/S1600536812022507","","","0.71073","MoKα","","0.1137","0.0673","","","0.1633","0.1886","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235141","7.529","0.001","10.718","0.002","10.759","0.002","90","","101.4","0.02","90","","851.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-6-({2-[(3,5-dichloro-2- hydroxybenzylidene)amino]ethyl}iminomethyl)phenol","","- C16 H12 Cl4 N2 O2 -","- C16 H12 Cl4 N2 O2 -","- C32 H24 Cl8 N4 O4 -","2","0.5","LH5465","Ourari, Ali; Baameur, Lotfi; Bouacida, Sofiane; Gilles, Bouet; Magali, Allain","2,4-Dichloro-6-({2-[(3,5-dichloro-2-hydroxybenzylidene)amino]ethyl}iminomethyl)phenol","Acta Crystallographica Section E","2012","68","6","o1700","","10.1107/S1600536812020235","","","0.71073","MoKα","","0.0516","0.0311","","","0.0736","0.0806","","","","","","0.938","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235142","9.3121","0.0002","9.8136","0.0002","11.8458","0.0002","108.217","0.001","101.135","0.001","109.361","0.001","915.39","0.03","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-bromophenyl)-1-phenyl-1<i>H</i>-benzimidazole-5-carboxylate","","- C22 H17 Br N2 O2 -","- C22 H17 Br N2 O2 -","- C44 H34 Br2 N4 O4 -","2","1","LH5466","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 2-(4-bromophenyl)-1-phenyl-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","6","o1683","","10.1107/S1600536812019897","","","0.71073","MoKα","","0.0311","0.0272","","","0.0693","0.0712","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235143","7.0823","0.0006","25.555","0.002","7.5712","0.0005","90","","94.431","0.001","90","","1366.2","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Bromobenzylidene)naphthalen-1-amine","","- C17 H12 Br N -","- C17 H12 Br N -","- C68 H48 Br4 N4 -","4","1","LH5468","Zhu, Ruitao; Ren, Yuehong; Zhang, Yuewen","<i>N</i>-(4-Bromobenzylidene)naphthalen-1-amine","Acta Crystallographica Section E","2012","68","6","o1671","","10.1107/S1600536812019800","","","0.71073","MoKα","","0.0718","0.0425","","","0.0907","0.0996","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235144","17.5151","0.0006","10.8638","0.0004","9.8615","0.0003","90","","97.565","0.003","90","","1860.12","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(4-methylphenyl)-<i>N</i>''-(2,2,2- trichloroacetyl)phosphoric triamide","","- C16 H17 Cl3 N3 O2 P -","- C16 H17 Cl3 N3 O2 P -","- C64 H68 Cl12 N12 O8 P4 -","4","1","LH5469","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Fadaei, Hassan; Nečas, Marek; Babiak, Michal","<i>N</i>,<i>N</i>'-Bis(4-methylphenyl)-<i>N</i>''-(2,2,2-trichloroacetyl)phosphoric triamide","Acta Crystallographica Section E","2012","68","6","o1813","","10.1107/S160053681202154X","","","0.71073","MoKα","","0.0344","0.0278","","","0.0698","0.0717","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235145","8.1332","0.0014","11.816","0.002","11.85","0.002","95.696","0.009","108.148","0.008","102.416","0.008","1039.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-carboxypyrazin-1-ium perchlorate bis(2-aminopyrazin-1-ium-3-carboxylate) monohydrate","","- C15 H18 Cl N9 O11 -","- C15 H18 Cl N9 O11 -","- C30 H36 Cl2 N18 O22 -","2","1","LH5470","Berrah, Fadila; Bouacida, Sofiane; Bouhraoua, Ahlem; Roisnel, Thierry","2-Amino-3-carboxypyrazin-1-ium perchlorate bis(2-aminopyrazin-1-ium-3-carboxylate) monohydrate","Acta Crystallographica Section E","2012","68","6","o1714","o1715","10.1107/S1600536812021071","","","0.71073","MoKα","","0.0431","0.0381","","","0.0966","0.1","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235146","8.7579","0.0002","10.6985","0.0003","15.3603","0.0006","72.079","0.003","77.582","0.003","86.538","0.002","1337.31","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(μ-<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>':<i>O</i>,<i>O</i>'- bis[(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato- κ^2^<i>O</i>,<i>O</i>')lead(II)]","","- C24 H20 N8 O8 Pb2 -","- C24 H20 N8 O8 Pb2 -","- C48 H40 N16 O16 Pb4 -","2","1","LH5471","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","A second triclinic polymorph of bis(μ-<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>':<i>O</i>,<i>O</i>'-bis[(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","Acta Crystallographica Section E","2012","68","6","m791","","10.1107/S1600536812021885","","","0.71073","MoKα","","0.0287","0.0239","","","0.0547","0.0572","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235147","11.5605","0.0007","13.0076","0.0008","13.6456","0.0008","92.243","0.001","99.247","0.001","106.092","0.001","1938.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione- κ<i>S</i>]iodidobis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C42 H38 Cu I N2 P2 S -","- C42 H38 Cu I N2 P2 S -","- C84 H76 Cu2 I2 N4 P4 S2 -","2","1","LH5472","Pakawatchai, Chaveng; Wattanakanjana, Yupa; Choto, Patcharanan; Nimthong, Ruthairat","[4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione-κ<i>S</i>]iodidobis(triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2012","68","6","m773","m774","10.1107/S1600536812021010","","","0.71073","MoKα","","0.034","0.0278","","","0.0716","0.075","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235148","6.8502","0.0014","8.6667","0.0017","11.255","0.002","67.48","0.001","87.32","0.002","85.97","0.002","615.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-4,6-dimethoxypyrimidin-1-ium 2,2-dichloroacetate","","- C8 H11 Cl2 N3 O4 -","- C8 H11 Cl2 N3 O4 -","- C16 H22 Cl4 N6 O8 -","2","1","LH5473","Lin, Cui-Hua; Liu, Nai-Sheng","2-Amino-4,6-dimethoxypyrimidin-1-ium 2,2-dichloroacetate","Acta Crystallographica Section E","2012","68","6","o1898","","10.1107/S1600536812021496","","","0.71073","MoKα","","0.0654","0.0542","","","0.1747","0.1996","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235149","17.237","0.003","10.466","0.002","26.554","0.005","90","","102.378","0.004","90","","4679.1","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-(4-Chlorophenyl)-1-(2,4-difluorophenyl)-2-(1<i>H</i>-1,2,4- triazol-1-yl)prop-2-en-1-one","","- C17 H10 Cl F2 N3 O -","- C17 H10 Cl F2 N3 O -","- C204 H120 Cl12 F24 N36 O12 -","12","3","LH5474","Peng, Xin-Mei; Yin, Ben-Tao; Zhou, Cheng-He","(<i>Z</i>)-3-(4-Chlorophenyl)-1-(2,4-difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1828","","10.1107/S1600536812022118","","","0.71073","MoKα","","0.083","0.0446","","","0.1118","0.133","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235150","9.0002","0.0017","12.045","0.002","12.357","0.002","118.386","0.002","101.701","0.003","99.494","0.003","1099.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>^1^,<i>N</i>^4^,3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide","","- C8 H14 N6 O2 -","- C8 H14 N6 O2 -","- C32 H56 N24 O8 -","4","2","LH5475","Sun, Na-Bo; Rao, Guo-Wu; Shen, Qun","<i>N</i>^1^,<i>N</i>^4^,3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","6","o1841","o1842","10.1107/S1600536812022519","","","0.71073","MoKα","","0.0534","0.0442","","","0.1102","0.1154","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235151","12.6336","0.0004","11.9333","0.0003","12.0471","0.0004","90","","113.581","0.002","90","","1664.56","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromene- 3-carbonitrile","","- C21 H15 F N2 O2 -","- C21 H15 F N2 O2 -","- C84 H60 F4 N8 O8 -","4","1","LH5476","Al-Dies, Al-Anood M.; Amr, Abdel-Galil E.; El-Agrody, Ahmed M.; Chia, Tze Shyang; Fun, Hoong-Kun","2-Amino-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromene-3-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1934","o1935","10.1107/S1600536812023021","","","1.54178","CuKα","","0.0521","0.047","","","0.1273","0.1317","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235152","8.3244","0.0017","12.992","0.003","13.54","0.003","85.79","0.03","84.67","0.03","87.17","0.03","1452.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquabis(μ~3~-5-carboxybenzene-1,2,4-tricarboxylato)tricadmium] tetrahydrate]","","- C20 H22 Cd3 O24 -","- C20 H22 Cd3 O24 -","- C40 H44 Cd6 O48 -","2","1","LH5477","Jia, Yong-Yan; Xie, Xin-Nian; Yang, Huai-Xia","Poly[[tetraaquabis(μ~3~-5-carboxybenzene-1,2,4-tricarboxylato)tricadmium] tetrahydrate]","Acta Crystallographica Section E","2012","68","6","m801","m802","10.1107/S1600536812022726","","","0.71073","MoKα","","0.0325","0.0289","","","0.0659","0.0683","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235153","5.9864","0.0003","7.4724","0.0005","11.0235","0.0008","83.103","0.006","80.04","0.005","80.02","0.005","476.26","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one","","- C9 H10 Cl N3 O -","- C9 H10 Cl N3 O -","- C18 H20 Cl2 N6 O2 -","2","1","LH5478","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one","Acta Crystallographica Section E","2012","68","6","o1939","","10.1107/S1600536812023537","","","0.71073","MoKα","","0.107","0.0677","","","0.1733","0.205","","","","","","0.978","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235154","9.1202","0.0018","11.543","0.002","12.158","0.002","74.677","0.003","70.566","0.003","79.903","0.003","1158.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[3,3'-diethyl-1,1'-(propane-1,3-diyl)di(1<i>H</i>- imidazol-3-ium) [silver(I)-di-μ-iodido-silver(I)-di-μ-iodido]]","","- C13 H22 Ag2 I4 N4 -","- C13 H22 Ag2 I4 N4 -","- C26 H44 Ag4 I8 N8 -","2","1","LR2057","Huo, Jian-Zhong; Zhao, Zhi-Xiang; Shi, Men-Chao; Li, Hui-Long; Liu, Qing-Xiang","<i>catena</i>-Poly[3,3'-diethyl-1,1'-(propane-1,3-diyl)di(1<i>H</i>-imidazol-3-ium) [silver(I)-di-μ-iodido-silver(I)-di-μ-iodido]]","Acta Crystallographica Section E","2012","68","6","m787","","10.1107/S1600536812020715","","","0.71073","MoKα","","0.0315","0.029","","","0.0736","0.0753","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235155","11.0344","0.0002","11.6796","0.0002","17.0884","0.0003","90","","90","","90","","2202.31","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')dichloridorhodium(III) perchlorate","","- C20 H16 Cl3 N4 O4 Rh -","- C20 H16 Cl3 N4 O4 Rh -","- C80 H64 Cl12 N16 O16 Rh4 -","4","1","LR2059","Dikhtiarenko, Alla; Torre-Fernández, Laura; García-Granda, Santiago; García, José R.; Gimeno, José","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')dichloridorhodium(III) perchlorate","Acta Crystallographica Section E","2012","68","6","m713","m714","10.1107/S1600536812018685","","","0.7107","MoKα","","0.0594","0.0423","","","","0.0809","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235156","4.1059","0.0001","23.1112","0.0005","11.4702","0.0003","90","","92.942","0.001","90","","1087","0.05","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Acetamidoanilinium nitrate monohydrate","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C32 H52 N12 O20 -","4","1","LR2060","Riahi, Sana; Mrad, Mohamed Lahbib; Ferretti, Valeria; Lefebvre, Frederic; Ben Nasr, Cherif","4-Acetamidoanilinium nitrate monohydrate","Acta Crystallographica Section E","2012","68","6","o1647","","10.1107/S1600536812019393","","","0.71073","MoKα","","0.0661","0.0457","","","0.1276","0.1422","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235157","8.59","0.003","12.885","0.005","17.237","0.007","90","","90","","90","","1907.8","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Aminocyclohexan-1-aminium thiocyanate","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C56 H120 N24 S8 -","8","1","LR2062","Salem, Halima F.; Hasbullah, Siti Aishah; Yamin, Bohari M.","2-Aminocyclohexan-1-aminium thiocyanate","Acta Crystallographica Section E","2012","68","6","o1732","","10.1107/S1600536812020879","","","0.71073","MoKα","","0.0535","0.0451","","","0.1072","0.1116","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235158","13.7314","0.0015","13.7314","0.0015","22.235","0.003","90","","90","","120","","3630.8","0.7","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","Tris[2-(2<i>H</i>-indazol-2-yl)ethyl]amine","","- C27 H27 N7 -","- C27 H27 N7 -","- C162 H162 N42 -","6","0.333333","LR2063","Ovalle, Saúl; Elizondo Martínez, Perla; Pérez Rodríguez, Nancy; Bernès, Sylvain; Flores-Alamo, Marcos","Tris[2-(2<i>H</i>-indazol-2-yl)ethyl]amine","Acta Crystallographica Section E","2012","68","6","o1879","o1880","10.1107/S1600536812022027","","","0.71073","MoKα","","0.0778","0.0446","","","0.1174","0.1312","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235159","11.585","0.004","9.652","0.003","15.45","0.004","90","","123.604","0.017","90","","1438.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[bis(nitrato-κ<i>O</i>)copper(II)]-bis[μ-1,3- bis(imidazol-1-yl)-5-methylbenzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] dihydrate]","","- C26 H28 Cu N10 O8 -","- C26 H28 Cu N10 O8 -","- C52 H56 Cu2 N20 O16 -","2","0.5","LR2064","Liu, Guang-Xiang","<i>catena</i>-Poly[[[bis(nitrato-κ<i>O</i>)copper(II)]-bis[μ-1,3-bis(imidazol-1-yl)-5-methylbenzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] dihydrate]","Acta Crystallographica Section E","2012","68","6","m840","","10.1107/S1600536812023628","","","0.71073","MoKα","","0.053","0.0356","","","0.0867","0.1008","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235160","7.07","0.0014","13.441","0.003","10.156","0.002","90","","90","","90","","965.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,8-Dimethyl-4-oxo-3,4-dihydroquinazoline-6-carbonitrile","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","LX2242","Tian, Hai-Yan; Bi, Jian-Cong; Zhang, Hong-Xia; Zhang, Juan","3,8-Dimethyl-4-oxo-3,4-dihydroquinazoline-6-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1959","","10.1107/S1600536812022088","","","0.71073","MoKα","","0.0375","0.0347","","","0.0941","0.0954","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235161","7.3918","0.0005","12.2587","0.0004","8.1671","0.0003","90","","111.72","0.001","90","","687.51","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Cyanopyridinium bromide","","- C6 H5 Br N2 -","- C6 H5 Br N2 -","- C24 H20 Br4 N8 -","4","1","MW2067","Zheng, Wen-Ni","4-Cyanopyridinium bromide","Acta Crystallographica Section E","2012","68","6","o1825","","10.1107/S160053681202209X","","","0.71073","MoKα","","0.0402","0.0316","","","0.0633","0.0658","","","","","","0.949","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235162","7.4985","0.0001","8.2709","0.0001","10.4177","0.0001","72.156","0.001","78.323","0.001","89.792","0.001","601.107","0.013","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(2-azaniumylethyl)piperazin-1-ium] di-μ-sulfido-bis[disulfidogermanate(II)]","","- C12 H34 Ge2 N6 S6 -","- C12 H34 Ge2 N6 S6 -","- C12 H34 Ge2 N6 S6 -","1","0.5","MW2068","Zhang, Bei-Bei; Xu, Chao; Duan, Taike; Chen, Qun; Zhang, Qian-Feng","Bis[4-(2-azaniumylethyl)piperazin-1-ium] di-μ-sulfido-bis[disulfidogermanate(II)]","Acta Crystallographica Section E","2012","68","6","m822","","10.1107/S1600536812022040","","","0.71073","MoKα","","0.0192","0.0172","","","0.0429","0.0437","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235163","20.522","0.0017","14.1916","0.0011","6.006","0.0004","90","","90","","90","","1749.2","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2- methylphenyl)urea","","- C20 H21 N5 O -","- C20 H21 N5 O -","- C80 H84 N20 O4 -","4","1","MW2069","Attia, Mohamed I.; Aboul-Enein, Mohamed N.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2-methylphenyl)urea","Acta Crystallographica Section E","2012","68","6","o1848","o1849","10.1107/S1600536812022659","","","0.71073","MoKα","","0.0612","0.0451","","","0.0893","0.0973","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235164","9.581","0.0016","6.7405","0.0012","28.886","0.005","90","","92.164","0.002","90","","1864.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dihydrocryptopine","6,7-dimethoxy-12-methyl-16,18-dioxa-12- azatetracyclo[12.7.0.0^4,9^.0^15,19^]henicosa-1(21),4,6,8,14,19-hexaen-3-ol","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","NC2270","Sun, Wenwen; Cao, Lei; Zhang, Cen; Zhu, Lifei; Zhou, Le","Dihydrocryptopine","Acta Crystallographica Section E","2012","68","6","o1762","","10.1107/S1600536812017588","","","0.71073","MoKα","","0.0507","0.0378","","","0.0948","0.1047","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235165","17.779","0.004","3.8405","0.0009","19.026","0.004","90","","92.984","0.008","90","","1297.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-[Hydroxy(4-methoxyphenyl)methylidene]indane-1,3-dione","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","NC2275","Gu, Jing-Chi; Zhu, Bi-Xue; Zhang, Yun-Qian","2-[Hydroxy(4-methoxyphenyl)methylidene]indane-1,3-dione","Acta Crystallographica Section E","2012","68","6","o1907","","10.1107/S1600536812021824","","","0.71073","MoKα","","0.0822","0.0486","","","0.1144","0.127","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235166","23.356","0.0018","6.8191","0.0003","15.7067","0.001","90","","119.92","0.009","90","","2168.2","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-Methylpiperazin-4-ium-1-yl)dithiocarbamate sesquihydrate","","- C6 H16 N3 O1.5 S2 -","- C6 H16 N3 O1.5 S2 -","- C48 H128 N24 O12 S16 -","8","1","NC2276","Mietlarek-Kropidłowska, Anna; Chojnacki, Jarosław; Wityk, Paweł; Wieczór, Miłosz; Becker, Barbara","<i>N</i>-(4-Methylpiperazin-4-ium-1-yl)dithiocarbamate sesquihydrate","Acta Crystallographica Section E","2012","68","6","o1717","","10.1107/S1600536812020521","","","0.71073","MoKα","","0.0497","0.0411","","","0.1086","0.113","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235167","11.072","0.0003","8.9617","0.0002","30.6266","0.0007","90","","100","0.002","90","","2992.72","0.13","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane- κ^2^<i>P</i>,<i>S</i>](η^5^-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate","","- C31 H38 Cl2 Ir O P S -","- C31 H38 Cl2 Ir O P S -","- C124 H152 Cl8 Ir4 O4 P4 S4 -","4","1","NC2278","Ludwig, Gerd; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Steinborn, Dirk","Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ^2^<i>P</i>,<i>S</i>](η^5^-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate","Acta Crystallographica Section E","2012","68","6","m858","","10.1107/S1600536812021964","","","0.71073","MoKα","","0.0458","0.0411","","","0.087","0.0883","","","","","","1.247","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235168","5.0922","0.001","6.7526","0.0014","8.6578","0.0017","90","","90.17","0.03","90","","297.7","0.1","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-Ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C4 H7 N3 S -","- C4 H7 N3 S -","- C8 H14 N6 S2 -","2","0.5","NC2279","Jing, Bi; Du, Yuao-Chao; Zhu, Ai-Xin","3-Ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1802","","10.1107/S1600536812021927","","","0.71073","MoKα","","0.0441","0.0422","","","0.1151","0.116","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235169","10.4449","0.0005","7.7754","0.0004","20.2119","0.001","90","","99.354","0.001","90","","1619.65","0.14","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-({4-[4-(1<i>H</i>-Benzimidazol-2-yl)phenyl]-1<i>H</i>- 1,2,3-triazol-1-yl}methoxy)ethanol","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C72 H68 N20 O8 -","4","1","NC2282","Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; Bats, Jan W.; Engels, Joachim W.","2-({4-[4-(1<i>H</i>-Benzimidazol-2-yl)phenyl]-1<i>H</i>-1,2,3-triazol-1-yl}methoxy)ethanol","Acta Crystallographica Section E","2012","68","6","o1908","","10.1107/S1600536812023410","","","0.71073","MoKα","","0.0876","0.0587","","","0.0936","0.1016","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235170","21.8234","0.0002","21.8234","","18.8025","0.0005","90","","90","","90","","8954.9","0.3","298","2","298","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","4,5-Dibromo-2,7-di-<i>tert</i>-butyl-9,9-dimethyl-9<i>H</i>-thioxanthene","","- C23 H28 Br2 S -","- C23 H28 Br2 S -","- C368 H448 Br32 S16 -","16","1","NG5262","Rubio, Omayra H.; Fuentes de Arriba, Angel L.; Sanz, Francisca; Muniz, Francisco M.; Morán, Joaquín R.","4,5-Dibromo-2,7-di-<i>tert</i>-butyl-9,9-dimethyl-9<i>H</i>-thioxanthene","Acta Crystallographica Section E","2012","68","6","o1814","","10.1107/S1600536812020624","","","1.54178","CuKα","","0.043","0.0396","","","0.1114","0.1141","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235171","12.102","0.002","16.035","0.003","7.2883","0.0015","90","","94.17","0.03","90","","1410.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)- 5-methylnicotinic acid","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","NG5267","Liu, Li-Ping; Wang, Xiao-Dan; Zhang, Shuang; Gao, Jin-Sheng","2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)-5-methylnicotinic acid","Acta Crystallographica Section E","2012","68","6","o1692","","10.1107/S1600536812020478","","","0.71073","MoKα","","0.0628","0.0455","","","0.1344","0.1445","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235172","5.8725","0.001","15.013","0.003","19.241","0.008","90","","104.42","0.03","90","","1642.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-furan-2,5-dicarboxylato- κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^5^,<i>O</i>^5'^]","","- C18 H10 N2 O5 Zn -","- C18 H10 N2 O5 Zn -","- C72 H40 N8 O20 Zn4 -","4","1","NG5269","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan; Gao, Yue","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-furan-2,5-dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^5^,<i>O</i>^5'^]","Acta Crystallographica Section E","2012","68","6","m750","","10.1107/S1600536812019836","","","0.71073","MoKα","","0.1075","0.055","","","0.0986","0.1214","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235173","8.3401","0.0017","6.9084","0.0014","13.994","0.003","90","","96.082","0.004","90","","801.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(1<i>E</i>,4<i>E</i>)-1-(Thiophen-2-yl)-5-(2,6,6-trimethylcyclohex-1-en-1- yl)penta-1,4-dien-3-one","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","0.5","NG5270","Zhang, Ya-Li; Xiang, Liu-Fang; Zou, Peng; Jin, Yi-Jun; Yang, Shu-Lin","(1<i>E</i>,4<i>E</i>)-1-(Thiophen-2-yl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2012","68","6","o1859","","10.1107/S1600536812022465","","","0.71073","MoKα","","0.0491","0.046","","","0.1322","0.137","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235174","9.1117","0.0004","16.499","0.0008","10.8875","0.0006","90","","101.068","0.004","90","","1606.32","0.14","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-1<i>H</i>-imidazol-3-ium chloride dichloromethane disolvate","","- C29 H41 Cl5 N2 -","- C29 H41 Cl5 N2 -","- C58 H82 Cl10 N4 -","2","0.5","NG5271","Berger, Matthias; Auner, Norbert; Bolte, Michael","1,3-Bis(2,6-diisopropylphenyl)-1<i>H</i>-imidazol-3-ium chloride dichloromethane disolvate","Acta Crystallographica Section E","2012","68","6","o1844","","10.1107/S1600536812022234","","","0.71073","MoKα","","0.08","0.0746","","","0.1798","0.1839","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235175","9.1874","0.0008","16.5165","0.0012","11.03","0.001","90","","102.332","0.007","90","","1635.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate","","- C29 H41 Br Cl4 N2 -","- C29 H41 Br Cl3.998 N2 -","- C58 H82 Br2 Cl7.996 N4 -","2","0.5","NG5272","Berger, Matthias; Auner, Norbert; Sinke, Tanja; Bolte, Michael","1,3-Bis(2,6-diisopropylphenyl)-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate","Acta Crystallographica Section E","2012","68","6","o1845","","10.1107/S1600536812022246","","","0.71073","MoKα","","0.0441","0.0377","","","0.0875","0.0901","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235176","8.76","0.0007","15.475","0.0012","12.5004","0.001","90","","102.66","0.002","90","","1653.4","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,3-Di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)diiodidoplatinum(II)","","- C14 H10 I2 N4 Pt -","- C14 H10 I2 N4 Pt -","- C56 H40 I8 N16 Pt4 -","4","1","NG5273","Ha, Kwang","(2,3-Di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)diiodidoplatinum(II)","Acta Crystallographica Section E","2012","68","6","m834","","10.1107/S1600536812023501","","","0.71073","MoKα","","0.0373","0.0293","","","0.0694","0.077","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235177","9.0721","0.0005","10.5156","0.0006","11.5351","0.0006","89.064","0.005","67.307","0.004","75.33","0.005","978.06","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(μ-di-<i>tert</i>-butylphosphanido)bis[(di-<i>tert</i>- butylphosphane)palladium(I)]","","- C32 H74 P4 Pd2 -","- C32 H74 P4 Pd2 -","- C32 H74 P4 Pd2 -","1","0.5","NG5274","Breunig, Jens; Lerner, Hans-Wolfram; Bolte, Michael","A triclinic polymorph of bis(μ-di-<i>tert</i>-butylphosphanido)bis[(di-<i>tert</i>-butylphosphane)palladium(I)]","Acta Crystallographica Section E","2012","68","6","m836","","10.1107/S1600536812023574","","","0.71073","MoKα","","0.0465","0.0421","","","0.109","0.1112","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235178","6.8364","0.0014","9.5308","0.0019","10.131","0.002","67.52","0.03","71.22","0.03","78.1","0.03","574.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(1<i>H</i>-Pyrazol-3-yl)pyridine‒terephthalic acid‒water (2/1/2)","","- C24 H24 N6 O6 -","- C24 H24 N6 O6 -","- C24 H24 N6 O6 -","1","0.5","NK2153","Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming","4-(1<i>H</i>-Pyrazol-3-yl)pyridine‒terephthalic acid‒water (2/1/2)","Acta Crystallographica Section E","2012","68","6","o1942","","10.1107/S1600536812021599","","","0.71073","MoKα","","0.1155","0.0639","","","0.1138","0.1281","","","","","","1.205","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235179","11.7578","0.0005","11.8071","0.0005","25.1339","0.0018","90","","91.858","0.006","90","","3487.4","0.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Phenyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C144 H128 N32 S16 -","16","4","NK2157","Owczarzak, Anita M.; Kubicki, Maciej","4-Phenyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1686","","10.1107/S1600536812020090","","","0.71073","MoKα","","0.0823","0.0646","","","0.1524","0.1646","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235180","15.141","0.002","15.141","0.002","6.422","0.0013","90","","90","","90","","1472.2","0.4","95","2","95","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[<i>trans</i>-dichloridobis(propane-1,3-diamine- κ^2^<i>N</i>,<i>N</i>')chromium(III)] tetrachloridozincate","","- C12 H40 Cl8 Cr2 N8 Zn -","- C12 H40 Cl8 Cr2 N8 Zn -","- C24 H80 Cl16 Cr4 N16 Zn2 -","2","0.25","NK2158","Moon, Dohyun; Subhan, Md Abdus; Choi, Jong-Ha","Bis[<i>trans</i>-dichloridobis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III)] tetrachloridozincate determined using synchrotron radiation","Acta Crystallographica Section E","2012","68","6","m832","","10.1107/S1600536812023355","","","0.9","synchrotron","","0.0678","0.0656","","","0.1952","0.1977","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235181","13.5388","0.0003","7.266","0.0001","24.1083","0.0004","90","","90","","90","","2371.6","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-2-(3-nitrophenyl)-1,3-dithiane","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C88 H104 N8 O16 S16 -","8","1","NK2160","Mirošová, Pavla; Nečas, Marek; Vícha, Robert","2-Methyl-2-(3-nitrophenyl)-1,3-dithiane","Acta Crystallographica Section E","2012","68","6","o1827","","10.1107/S1600536812022283","","","0.71073","MoKα","","0.0321","0.0266","","","0.0689","0.0738","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235182","12.6549","0.0018","12.6549","0.0018","43.616","0.009","90","","90","","120","","6049.1","1.7","200","2","200","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tris(<i>cis</i>-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate","","- C18 H59 Cl8 N9 O9 S -","- C18 H54 Cl8 N9 O8.996 S -","- C108 H324 Cl48 N54 O53.976 S6 -","6","0.333333","NK2161","Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar","Tris(<i>cis</i>-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate","Acta Crystallographica Section E","2012","68","6","o1899","o1900","10.1107/S1600536812022374","","","0.71073","MoKα","","0.0378","0.0367","","","0.1008","0.1014","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235183","7.2026","0.0004","13.4736","0.0008","14.9785","0.0008","90","","93.792","0.005","90","","1450.41","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(Dimethylamino)pyridine-κ<i>N</i>^1^]trimethyl(thiocyanato- κ<i>N</i>)tin(IV)","","- C11 H19 N3 S Sn -","- C11 H19 N3 S Sn -","- C44 H76 N12 S4 Sn4 -","4","1","NK2162","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","[4-(Dimethylamino)pyridine-κ<i>N</i>^1^]trimethyl(thiocyanato-κ<i>N</i>)tin(IV)","Acta Crystallographica Section E","2012","68","6","m790","","10.1107/S1600536812022064","","","0.71073","MoKα","","0.066","0.06","","","0.1932","0.1967","","","","","","1.234","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235184","7.6975","0.0011","5.7776","0.0008","16.034","0.002","90","","98.999","0.002","90","","704.3","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>DL</i>-alanine hydroiodide","1-carboxyethanaminium iodide","","- C3 H8 I N O2 -","- C3 H8 I N O2 -","- C12 H32 I4 N4 O8 -","4","1","NK2163","Lamberts, Kevin; Englert, Ulli","<small>DL</small>-Alaninium iodide","Acta Crystallographica Section E","2012","68","6","o1846","","10.1107/S1600536812022003","","","0.71073","MoKα","","0.0309","0.0263","","","0.0597","0.0617","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235185","11.561","0.005","14.657","0.007","20.457","0.01","90","","90","","90","","3466","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","14-Deoxyisogarcinol","10-(3-Hydroxybenzoyl)-2,2,7,7-tetramethyl-3,6,8-tris(3-methylbut-2-enyl)- 3,4,4a,5,6,7-hexahydro-4a,8-methano-2<i>H</i>-cycloocta[<i>b</i>]pyran- 9,11(8<i>H</i>)-dione","","- C38 H50 O5 -","- C38 H50 O5 -","- C152 H200 O20 -","4","1","NR2023","Kaur, Ranjeet; Vasudev, Prema G.; Chattopadhyay, Sunil K.","(1<i>S</i>,5<i>R</i>,7<i>R</i>,30<i>S</i>)-14-Deoxyisogarcinol","Acta Crystallographica Section E","2012","68","6","o1861","o1862","10.1107/S1600536812020788","","","0.71073","MoKα","","0.1741","0.0682","","","0.1669","0.2464","","","","","","0.955","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235186","7.5329","0.0003","11.8099","0.0005","9.7632","0.0004","90","","92.94","0.003","90","","867.42","0.06","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Pyridin-2-yl)-1,3-oxathiane","","- C9 H11 N O S -","- C9 H11 N O S -","- C36 H44 N4 O4 S4 -","4","1","NR2024","Turner, David; Fratini, Albert; Turro, Claudia; Check, Michael; Hunter, Chad","2-(Pyridin-2-yl)-1,3-oxathiane","Acta Crystallographica Section E","2012","68","6","o1675","","10.1107/S1600536812018661","","","1.54178","CuKα","","0.0327","0.0319","","","0.0847","0.0853","","","","","","1.073","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235187","11.093","0.004","11.604","0.004","21.226","0.007","90","","101.777","0.005","90","","2674.8","1.6","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-1<i>H</i>-isoindol-1-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","NR2026","Wang, Hong-Yao; Yang, Jing-Kui","2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-1<i>H</i>-isoindol-1-one","Acta Crystallographica Section E","2012","68","6","o1795","","10.1107/S1600536812021575","","","0.71073","MoKα","","0.0617","0.0419","","","0.1049","0.1138","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235188","8.6542","0.0007","12.1882","0.001","12.4272","0.001","90","","98.39","0.001","90","","1296.78","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[(methanol)(μ~4~-2,4,5,6-tetrafluorobenzene-1,3- dicarboxylato)copper(II)] methanol monosolvate]","","- C10 H8 Cu F4 O6 -","- C10 H8 Cu F4 O6 -","- C40 H32 Cu4 F16 O24 -","4","1","PK2400","Yan, Dan; Duan, Qian","Poly[[(methanol)(μ~4~-2,4,5,6-tetrafluorobenzene-1,3-dicarboxylato)copper(II)] methanol monosolvate]","Acta Crystallographica Section E","2012","68","6","m768","m769","10.1107/S1600536812020740","","","0.71073","MoKα","","0.0354","0.0326","","","0.0895","0.0918","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235189","15.9777","0.0013","11.4504","0.0009","7.7573","0.0006","90","","90","","90","","1419.21","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","0.5","PK2402","Campos-Gaxiola, José J.; Höpfl, Herbert; Aguirre, Gerardo; Parra-Hake, Miguel","2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2012","68","6","o1873","","10.1107/S1600536812022611","","","0.71073","MoKα","","0.0444","0.0389","","","0.1025","0.1066","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235190","9.0048","0.0019","10.811","0.002","12.729","0.003","101.205","0.003","103.899","0.003","112.376","0.003","1054.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole- 5(4<i>H</i>)-thione","","- C10 H9 F N4 S -","- C10 H9 F N4 S -","- C40 H36 F4 N16 S4 -","4","2","PK2403","Devarajegowda, H. C.; Jeyaseelan, S.; Sathishkumar, R.; D'souza, Agnes Sylvia; D'souza, Alphonsus","4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1607","","10.1107/S1600536812019174","","","0.71073","MoKα","","0.0368","0.0329","","","0.0836","0.0854","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235191","14.489","0.002","8.2989","0.0012","16.706","0.003","90","","114.313","0.003","90","","1830.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>E</i>,4<i>Z</i>)-5-diethylamino-2-(phenylsulfonyl)penta-2,4-dienoate","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","PK2405","Song, Guo-Qiang; Yu, Pei-Pei; Huang, Xian-Feng","Ethyl (2<i>E</i>,4<i>Z</i>)-5-diethylamino-2-(phenylsulfonyl)penta-2,4-dienoate","Acta Crystallographica Section E","2012","68","6","o1919","","10.1107/S1600536812023483","","","0.71073","MoKα","","0.0835","0.0589","","","0.151","0.1682","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235192","13.9048","0.0011","13.7637","0.0011","10.0569","0.0008","90","","109.142","0.002","90","","1818.3","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-4-yl)methanediamine monohydrate","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C84 H80 N24 O4 -","4","0.5","PK2409","Shin, Jong Won; Min, Kil Sik","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-4-yl)methanediamine monohydrate","Acta Crystallographica Section E","2012","68","6","o1600","","10.1107/S1600536812019010","","","0.71073","MoKα","","0.0998","0.0505","","","0.1257","0.1625","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235193","7.574","0.002","13.903","0.004","14.814","0.004","110.574","0.015","96.936","0.013","93.64","0.014","1440.3","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ^6^,2-benzothiazole-1,1,3-trione","","- C15 H10 Br N O4 S -","- C15 H10 Br N O4 S -","- C60 H40 Br4 N4 O16 S4 -","4","2","PK2412","Sattar, Nazia; Siddiqui, Hamid Latif; Siddiqui, Waseeq Ahmad; Akram, Muhammad; Parvez, Masood","2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ^6^,2-benzothiazole-1,1,3-trione","Acta Crystallographica Section E","2012","68","6","o1889","o1890","10.1107/S1600536812022428","","","0.71073","MoKα","","0.0685","0.0499","","","0.0949","0.1047","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235194","10.495","0.004","8.415","0.002","15.136","0.006","90","","91.034","0.019","90","","1336.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)acetic acid","","- C13 H13 N3 O4 S -","- C13 H13 N3 O4 S -","- C52 H52 N12 O16 S4 -","4","1","PK2415","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Zia-ur-Rehman, Muhammad; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","6","o1970","o1971","10.1107/S1600536812023677","","","0.71073","MoKα","","0.0685","0.0415","","","0.0966","0.11","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235195","9.746","0.002","10.98","0.002","9.426","0.002","90","","96.33","0.03","90","","1002.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-Dibromo-<i>N</i>-(4-fluorophenyl)acetamide","","- C8 H6 Br2 F N O -","- C8 H6 Br2 F N O -","- C32 H24 Br8 F4 N4 O4 -","4","1","PV2533","Qian, Xiangjun; Fang, Zheng; Bao, Shuxin; Guo, Kai; Wei, Ping","2,2-Dibromo-<i>N</i>-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2012","68","6","o1824","","10.1107/S1600536812021174","","","0.71073","MoKα","","0.1369","0.0576","","","0.0791","0.094","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235196","9.575","0.0019","13.027","0.003","8.834","0.0018","90","","92.07","0.03","90","","1101.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Fluorophenyl)-2,2-dimethylpropanamide","","- C11 H14 F N O -","- C11 H14 F N O -","- C44 H56 F4 N4 O4 -","4","1","PV2534","Fang, Zheng; Zhang, Feng; Zou, Bao-hua; Guo, Kai","<i>N</i>-(4-Fluorophenyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2012","68","6","o1757","","10.1107/S1600536812020570","","","0.71073","MoKα","","0.1244","0.0621","","","0.1294","0.1546","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235197","6.847","0.0014","9.627","0.0019","10.544","0.002","100.66","0.03","91.65","0.03","94.26","0.03","680.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[4-(Benzyloxy)benzylidene]malononitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C34 H24 N4 O2 -","2","1","PV2535","Gan, Hai-feng; Liu, Xue-wei; Fang, Zheng; Guo, Kai","2-[4-(Benzyloxy)benzylidene]malononitrile","Acta Crystallographica Section E","2012","68","6","o1690","","10.1107/S1600536812020053","","","0.71073","MoKα","","0.0904","0.0609","","","0.1574","0.1764","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235198","7.3985","0.0009","10.4953","0.0013","12.4094","0.0015","65.554","0.002","79.372","0.002","89.766","0.002","859.34","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea","","- C18 H20 F2 N2 O2 S -","- C18 H20 F2 N2 O2 S -","- C36 H40 F4 N4 O4 S2 -","2","1","PV2537","Mohamed, Shaaban K.; Jaber, Abdel-Aal M.; Saeed, Sohail; Ahmad, Khuram Shahzad; Wong, Wing-Tak","1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","6","o1597","","10.1107/S1600536812018806","","","0.71073","MoKα","","0.05","0.0377","","","0.0908","0.0997","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235199","7.4882","0.0002","11.7438","0.0002","18.0235","0.0004","90","","90","","90","","1584.99","0.06","90","0.5","90","0.5","101.3","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>R</i>)-4-(2-Ethoxy-2-oxoethyl)-2,6,6-trimethyl‒2-oxo- 1,3,6,2λ^5^-dioxazaphosphocan-6-ium iodide","","- C11 H23 I N O5 P -","- C11 H23 I N O5 P -","- C44 H92 I4 N4 O20 P4 -","4","1","PV2538","Fulfer, Bradford W.; Fronczek, Frank R.; Watkins, Steven F.","(2<i>R</i>,4<i>R</i>)-4-(2-Ethoxy-2-oxoethyl)-2,6,6-trimethyl‒2-oxo-1,3,6,2λ^5^-dioxazaphosphocan-6-ium iodide","Acta Crystallographica Section E","2012","68","6","o1596","","10.1107/S1600536812018466","","","0.71073","MoKα","","","0.016","","","","0.0386","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235200","24.0511","0.001","7.8521","0.0003","19.7403","0.0009","90","","121.661","0.003","90","","3173.1","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl (<i>E</i>)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C136 H120 N8 O40 -","8","1","PV2539","Anuradha, T.; Devaraj, A.; Seshadri, P. R.; Bakthadoss, M.","Methyl (<i>E</i>)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate","Acta Crystallographica Section E","2012","68","6","o1748","","10.1107/S1600536812021009","","","0.71073","MoKα","","0.0849","0.0521","","","0.1219","0.1452","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235201","9.714","0.003","11.633","0.003","16.226","0.004","90","","102.291","0.004","90","","1791.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(<i>N</i>,<i>N</i>',<i>N</i>''-triisopropylguanidinium) fumarate‒fumaric acid (1/1)","","- C28 H54 N6 O8 -","- C28 H54 N6 O8 -","- C56 H108 N12 O16 -","2","0.5","PV2540","Said, Farouq F.; Ali, Basem F.; Richeson, Darrin; Korobkov, Ilia","Bis(<i>N</i>,<i>N</i>',<i>N</i>''-triisopropylguanidinium) fumarate‒fumaric acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1906","","10.1107/S1600536812023094","","","0.71073","MoKα","","0.0519","0.0435","","","0.1228","0.13","","","","","","1.041","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2235202","6.117","0.0012","10.123","0.002","18.868","0.004","90","","91.36","0.03","90","","1168","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-Methyl-2-nitropropyl)-1<i>H</i>-indole","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","PV2541","Fang, Zheng; Zhang, Feng; Zou, Bao-hua; Guo, Kai","3-(2-Methyl-2-nitropropyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","6","o1758","","10.1107/S1600536812020582","","","0.71073","MoKα","","0.1304","0.0573","","","0.1391","0.1788","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235203","15.1221","0.0007","5.6518","0.0001","13.6926","0.0006","90","","113.22","0.04","90","","1075.5","0.3","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3-Cyanoanilinium hydrogen oxalate hemihydrate","","- C9 H9 N2 O4.5 -","- C9 H9 N2 O4.5 -","- C36 H36 N8 O18 -","4","1","PV2542","Chen, Xin-Yuan","3-Cyanoanilinium hydrogen oxalate hemihydrate","Acta Crystallographica Section E","2012","68","6","o1678","","10.1107/S1600536812019824","","","0.71073","MoKα","","0.0709","0.0543","","","0.1419","0.156","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235204","8.3411","0.0017","9.0638","0.0018","13.162","0.003","77.105","0.004","82.394","0.004","72.865","0.004","924.6","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","Caffeine‒<i>N</i>-phthaloyl-β-alanine (1/1)","3-(1,3-dioxoisoindolin-2-yl)propanoic acid‒ 1,3,7-trimethyl-1<i>H</i>-purine-2,6(3<i>H</i>,7<i>H</i>)-dione (1/1)","","- C19 H19 N5 O6 -","- C19 H19 N5 O6 -","- C38 H38 N10 O12 -","2","1","PV2544","Bhatti, Moazzam H.; Yunus, Uzma; Shah, Syed Raza; Flörke, Ulrich","Caffeine‒<i>N</i>-phthaloyl-β-alanine (1/1)","Acta Crystallographica Section E","2012","68","6","o1888","","10.1107/S1600536812022696","","","0.71073","MoKα","","0.0464","0.0394","","","0.1003","0.1057","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235205","6.5511","0.0011","6.9192","0.0012","8.0265","0.0017","93.73","0.001","102.78","0.001","91.769","0.001","353.68","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Methylphenyl)formamide","","- C8 H9 N O -","- C8 H9 N O -","- C16 H18 N2 O2 -","2","1","PV2549","Zhao, Min-Min","<i>N</i>-(4-Methylphenyl)formamide","Acta Crystallographica Section E","2012","68","6","o1961","","10.1107/S1600536812024300","","","0.71073","MoKα","","0.0713","0.0464","","","0.1189","0.1273","","","","","","0.902","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235206","8.152","0.002","20.538","0.005","12.736","0.003","90","","93.44","0.02","90","","2128.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Pyridine-2,6-dicarboxylato)copper(II)]-μ-(pyridine-2,6-dicarboxylato)- [bis(ethylenediamine)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[(pyridine- 2,6-dicarboxylato)copper(II)] ethylenediamine monosolvate tetrahydrate","","- C34 H46 Cu3 N10 O20 -","- C34 H46 Cu3 N10 O20 -","- C68 H92 Cu6 N20 O40 -","2","0.5","QM2066","Shokooh Saljooghi, Amir; Amiri Rudbari, Hadi; Nicolò, Francesco; Zahmati, Maliheh; Delavar Mendi, Fatemeh","[(Pyridine-2,6-dicarboxylato)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[bis(ethylenediamine)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[(pyridine-2,6-dicarboxylato)copper(II)] ethylenediamine monosolvate tetrahydrate","Acta Crystallographica Section E","2012","68","6","m830","m831","10.1107/S1600536812022039","","","0.71073","MoKα","","0.0594","0.0351","","","0.0903","0.1002","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235207","10.6015","0.0005","12.0283","0.0007","22.7865","0.0012","90","","101.222","0.004","90","","2850.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[(<i>E</i>)-(2- hydroxybenzylidene)amino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C31 H38 N6 O S -","- C31 H38 N6 O S -","- C124 H152 N24 O4 S4 -","4","1","QM2068","El-Emam, Ali A.; Al-Omar, Mohamed A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[(<i>E</i>)-(2-hydroxybenzylidene)amino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1766","o1767","10.1107/S1600536812021204","","","0.71073","MoKα","","0.083","0.0517","","","0.1064","0.1248","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235208","7.4556","0.0004","21.4126","0.001","11.1924","0.0005","90","","99.883","0.001","90","","1760.28","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{2-[4-(Dimethylamino)phenyl]diazen-1-ium-1-yl}pyridinium tetrachloridozincate","","- C13 H16 Cl4 N4 Zn -","- C13 H16 Cl4 N4 Zn -","- C52 H64 Cl16 N16 Zn4 -","4","1","QM2069","Leesakul, Nararak; Runrueng, Wassana; Saithong, Saowanit; Pakawatchai, Chaveng","2-{2-[4-(Dimethylamino)phenyl]diazen-1-ium-1-yl}pyridinium tetrachloridozincate","Acta Crystallographica Section E","2012","68","6","m837","","10.1107/S1600536812023689","","","0.71073","MoKα","","0.0421","0.0346","","","0.079","0.0822","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235209","8.1625","0.0016","12.692","0.003","13.29","0.003","65.52","0.03","79.47","0.03","84.02","0.03","1231.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-2-methyl-1<i>H</i>-imdazole- κ<i>N</i>^3^}dichloridozinc","","- C22 H22 Cl2 N10 Zn -","- C22 H22 Cl2 N10 Zn -","- C44 H44 Cl4 N20 Zn2 -","2","1","RK2337","Yang, Haiyan; Li, Yinghua","Bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-2-methyl-1<i>H</i>-imdazole-κ<i>N</i>^3^}dichloridozinc","Acta Crystallographica Section E","2012","68","6","m819","","10.1107/S1600536812022313","","","0.71073","MoKα","","0.0376","0.033","","","0.0761","0.079","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235210","6.929","0.002","7.33","0.002","12.179","0.004","101.669","0.003","98.277","0.003","111.796","0.003","545.9","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide","","- C10 H5 Cl F2 N2 O S -","- C10 H5 Cl F2 N2 O S -","- C20 H10 Cl2 F4 N4 O2 S2 -","2","1","RK2350","Liu, Xi-Wang; Li, Jian-Yong; Zhang, Han; Yang, Ya-Jun; Zhang, Ji-Yu","<i>N</i>-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide","Acta Crystallographica Section E","2012","68","6","o1857","","10.1107/S1600536812022477","","","0.71073","MoKα","","0.0558","0.0466","","","0.1226","0.1358","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235211","4.0964","0.0017","6.382","0.003","35.608","0.014","90","","90","","90","","930.9","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-Methoxyphenoxy)acetohydrazide","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","RK2352","Liu, Gang; Gao, Jie","2-(4-Methoxyphenoxy)acetohydrazide","Acta Crystallographica Section E","2012","68","6","o1969","","10.1107/S160053681202435X","","","0.71073","MoKα","","0.0341","0.0301","","","0.0842","0.0892","","","","","","0.876","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235212","22.4315","0.0016","3.7666","0.0006","18.064","0.0013","90","","104.682","0.007","90","","1476.4","0.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Chloroquinazolin-4(3<i>H</i>)-one","","- C8 H5 Cl N2 O -","- C8 H5 Cl N2 O -","- C64 H40 Cl8 N16 O8 -","8","1","RK2353","Cao, Dong-Lei; Yan, Fan-Yong; Wang, Meng; Li, Chu-Ying; Chen, Li","2-Chloroquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1958","","10.1107/S1600536812022891","","","0.71073","MoKα","","0.0453","0.036","","","0.091","0.0954","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235213","5.1416","0.0001","22.5507","0.0007","7.8176","0.0003","90","","97.827","0.001","90","","897.98","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxyanilinium 2-carboxyacetate","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","RK2357","Wang, Ying-Chun","4-Hydroxyanilinium 2-carboxyacetate","Acta Crystallographica Section E","2012","68","6","o1937","","10.1107/S160053681202363X","","","0.71073","MoKα","","0.0674","0.05","","","0.1212","0.1326","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235214","10.1416","0.001","13.7428","0.0014","6.7395","0.0007","90","","94.331","0.002","90","","936.63","0.16","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridin-2-yl)pyridine","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","RK2358","Huang, Ping-Hsin; Wen, Yuh-Sheng; Shen, Jiun-Yi","2-(1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridin-2-yl)pyridine","Acta Crystallographica Section E","2012","68","6","o1943","","10.1107/S1600536812023690","","","0.71073","MoKα","","0.0778","0.0638","","","0.138","0.1445","","","","","","1.187","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235215","5.9891","0.0002","12.427","0.0005","25.8832","0.001","83.065","0.002","84.86","0.003","76.408","0.002","1855","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-[(2,6-Diisopropylphenyl)iminomethyl]-4-iodophenol","","- C19 H22 I N O -","- C19 H22 I N O -","- C76 H88 I4 N4 O4 -","4","2","RK2360","Balamurugan, P.; Raja, K. Kanmani; Bilal, I. Mohammed; Chakkaravarthi, G.; Rajagopal, G.","2-[(2,6-Diisopropylphenyl)iminomethyl]-4-iodophenol","Acta Crystallographica Section E","2012","68","6","o1915","","10.1107/S1600536812023653","","","0.71073","MoKα","","0.064","0.039","","","0.096","0.1111","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235216","21.542","0.005","11.684","0.005","15.126","0.005","90","","118.172","0.005","90","","3356","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(pyridin-2-ylmethyl)amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']tricarbonylrhenium(I) bromide monohydrate","","- C15 H14 Br N3 O3.5 Re -","- C15 H14 Br N3 O3.5 Re -","- C120 H112 Br8 N24 O28 Re8 -","8","1","RU2033","Schutte, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","[Bis(pyridin-2-ylmethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']tricarbonylrhenium(I) bromide hemihydrate","Acta Crystallographica Section E","2012","68","6","m741","m742","10.1107/S1600536812019654","","","0.71073","MoKα","","0.0177","0.0143","","","","0.0312","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235217","8.6803","0.0011","23.0354","0.0008","7.8543","0.0009","90","","109.419","0.001","90","","1481.2","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromidobis[1-(2-bromobenzyl)-3-(pyrimidin-2-yl)-1<i>H</i>-imidazol- 2(3<i>H</i>)-one]copper(II)","","- C28 H22 Br4 Cu N8 O2 -","- C28 H22 Br4 Cu N8 O2 -","- C56 H44 Br8 Cu2 N16 O4 -","2","0.5","RU2034","Lu, Chun-Xin","Dibromidobis[1-(2-bromobenzyl)-3-(pyrimidin-2-yl)-1<i>H</i>-imidazol-2(3<i>H</i>)-one]copper(II)","Acta Crystallographica Section E","2012","68","6","m785","","10.1107/S1600536812021460","","","0.71073","MoKα","","0.0642","0.045","","","0.1112","0.117","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235218","9.2695","0.0004","15.8818","0.0006","16.0498","0.0006","90","","90","","90","","2362.79","0.16","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4,5-Diphenyl-2-(pyridin-2-yl)-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C116 H100 N12 O4 -","4","1","RZ2739","Yang, Liangru; Xiao, Yongmei; He, Kun; Yuan, Jinwei; Mao, Pu","2-[4,5-Diphenyl-2-(pyridin-2-yl)-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","6","o1670","","10.1107/S1600536812018703","","","1.54178","CuKα","","0.044","0.0381","","","0.0962","0.102","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235219","8.5535","0.0007","8.7124","0.0008","11.7241","0.001","109.824","0.002","96.444","0.002","109.658","0.002","748.33","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","5,5-Dimethyl-2,2-bis(pyridin-2-yl)-1,3-diazinane","","- C16 H20 N4 -","- C16 H20 N4 -","- C32 H40 N8 -","2","1","RZ2740","Warad, Ismail; Alruwaili, Afaf; Al-Resayes, Saud I.; Choudhary, M. Iqbal; Yousuf, Sammer","5,5-Dimethyl-2,2-bis(pyridin-2-yl)-1,3-diazinane","Acta Crystallographica Section E","2012","68","6","o1786","","10.1107/S1600536812021629","","","0.71073","MoKα","","0.0453","0.0397","","","0.1019","0.1071","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235220","7.696","0.003","9.025","0.003","14.248","0.004","90","","118.726","0.015","90","","867.8","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Azido-1-(4-methylphenyl)ethanone","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","1","RZ2744","Arshad, Muhammad; Yousuf, Sammer; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-methylphenyl)ethanone","Acta Crystallographica Section E","2012","68","6","o1608","","10.1107/S1600536812018491","","","0.71073","MoKα","","0.0366","0.034","","","0.0877","0.09","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235221","5.32163","0.00011","21.1878","0.0005","16.4585","0.0003","90","","96.9378","0.0017","90","","1842.17","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(1-Acetyl-5-benzoyl-1,4,5,6-tetrahydropyrrolo[3,4-<i>c</i>]pyrazol-3- yl)benzamide","","- C21 H18 N4 O3 -","- C21 H18 N4 O3 -","- C84 H72 N16 O12 -","4","1","RZ2745","Bai, Xiao-Guang; Wang, Ju-Xian; Wang, Yu-Cheng","<i>N</i>-(1-Acetyl-5-benzoyl-1,4,5,6-tetrahydropyrrolo[3,4-<i>c</i>]pyrazol-3-yl)benzamide","Acta Crystallographica Section E","2012","68","6","o1677","","10.1107/S1600536812019708","","","1.54184","CuKα","","0.0584","0.0526","","","0.1439","0.1497","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235222","6.3407","0.0013","10.367","0.002","30.516","0.006","90","","90","","90","","2005.9","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,4-Ditosyl-1,4-diazepane","","- C19 H24 N2 O4 S2 -","- C19 H24 N2 O4 S2 -","- C76 H96 N8 O16 S8 -","4","1","RZ2746","Yang, Shuang-Hua; Zhai, Zhi-Wei","1,4-Ditosyl-1,4-diazepane","Acta Crystallographica Section E","2012","68","6","o1716","","10.1107/S1600536812020958","","","0.71073","MoKα","","0.0374","0.0362","","","0.0821","0.0829","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235223","8.479","0.003","9.007","0.003","12.734","0.004","107.565","0.004","94.068","0.004","99.092","0.004","908.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-{[Bis(pyridin-2-ylmethyl)amino]methyl}-2-hydroxy-5-methylbenzaldehyde","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C42 H42 N6 O4 -","2","1","RZ2747","Wang, Ruo-Xu; Gao, Da-Zhi; Ye, Fan; Wu, Yan-Fei; Zhu, Dun-Ru","3-{[Bis(pyridin-2-ylmethyl)amino]methyl}-2-hydroxy-5-methylbenzaldehyde","Acta Crystallographica Section E","2012","68","6","o1672","o1673","10.1107/S1600536812019940","","","0.71073","MoKα","","0.05","0.0407","","","0.1113","0.1167","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235224","10.1367","0.0005","16.2964","0.0007","17.8995","0.0008","90","","90","","90","","2956.8","0.2","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis(4'-chloro-2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) dichloride dihydrate","","- C30 H24 Cl4 N6 O2 Ru -","- C30 H24 Cl4 N6 O2 Ru -","- C120 H96 Cl16 N24 O8 Ru4 -","4","1","RZ2748","Wang, Ying; Jiao, Rui; Qiu, Xiang-Lei; Wang, Jian; Huang, Wei","Bis(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) dichloride dihydrate","Acta Crystallographica Section E","2012","68","6","m777","m778","10.1107/S1600536812021459","","","0.71073","MoKα","","0.0376","0.0342","","","0.0828","0.0844","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235225","7.5878","0.0003","14.7081","0.0003","11.4164","0.0003","90","","109.174","0.004","90","","1203.41","0.07","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxido-bis[hemiaqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylethane-1,2-diamine)copper(II)] bis(tetrafluoridoborate)","","- C12 H36 B2 Cu2 F8 N4 O3 -","- C12 H36 B2 Cu2 F8.008 N4 O3 -","- C24 H72 B4 Cu4 F16.016 N8 O6 -","2","0.5","RZ2749","Haníková, Jaroslava; Kuchár, Juraj; Trávníček, Zdeněk; Černák, Juraj","Di-μ-hydroxido-bis[hemiaqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)copper(II)] bis(tetrafluoridoborate)","Acta Crystallographica Section E","2012","68","6","m784","","10.1107/S1600536812021836","","","0.71073","MoKα","","0.0527","0.0461","","","0.1282","0.1425","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235226","11.331","0.003","13.543","0.003","8.5982","0.0019","90","","97.168","0.005","90","","1309.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Nitro-<i>N</i>-[(pyrrolidin-1-yl)carbothioyl]benzamide","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C48 H52 N12 O12 S4 -","4","1","RZ2750","Zulkifli, Nursakinah; Yusoff, Siti Fairus M.; Yamin, Bohari M.","3-Nitro-<i>N</i>-[(pyrrolidin-1-yl)carbothioyl]benzamide","Acta Crystallographica Section E","2012","68","6","o1785","","10.1107/S1600536812021319","","","0.71073","MoKα","","0.0712","0.0552","","","0.126","0.1347","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235227","9.3596","0.0004","10.4702","0.0004","22.7438","0.001","90","","90","","90","","2228.82","0.16","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-Phenyl-<i>tert</i>-butanesulfinamide","","- C10 H15 N O S -","- C10 H15 N O S -","- C80 H120 N8 O8 S8 -","8","2","RZ2751","Sun, Xiaofei; Zhang, Xiaoping; Zhang, Binbin; Wang, Wenguo; Zeng, Qingle","(<i>S</i>)-<i>N</i>-Phenyl-<i>tert</i>-butanesulfinamide","Acta Crystallographica Section E","2012","68","6","o1728","","10.1107/S1600536812020673","","","0.7107","MoKα","","0.0988","0.0539","","","0.0774","0.0897","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235228","7.6307","0.0005","9.5168","0.0006","12.4097","0.0008","90","","90","","90","","901.19","0.1","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Azido-1-(4-nitrophenyl)ethanone","","- C8 H6 N4 O3 -","- C8 H6 N4 O3 -","- C32 H24 N16 O12 -","4","1","RZ2752","Yousuf, Sammer; Arshad, Muhammad; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-nitrophenyl)ethanone","Acta Crystallographica Section E","2012","68","6","o1952","","10.1107/S1600536812021241","","","0.71073","MoKα","","0.038","0.0318","","","0.0703","0.074","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235229","10.076","0.012","10.08","0.02","10.137","0.012","92.02","0.02","119.727","0.014","94.2","0.02","889","2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","Poly[[{μ~4~-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4- thiadiazole)}silver(I)] perchlorate sesquihydrate]","","- C8 H13 Ag Cl N4 O5.5 S4 -","- C8 H13 Ag Cl N4 O5.5 S4 -","- C16 H26 Ag2 Cl2 N8 O11 S8 -","2","1","RZ2753","Li, Jia-Jia; Zhu, Wei-Min","Poly[[{μ~4~-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-thiadiazole)}silver(I)] perchlorate sesquihydrate]","Acta Crystallographica Section E","2012","68","6","m845","","10.1107/S1600536812022957","","","0.71073","MoKα","","0.1104","0.0545","","","0.1161","0.143","","","","","","0.998","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2235230","15.714","0.003","29.505","0.006","11.378","0.002","90","","90.54","0.03","90","","5275.1","1.7","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato- κ^2^<i>O</i>,<i>O</i>')lutetium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","","- C24 H72 Ag Lu N14 O10 P4 S4 W -","- C24 H72 Ag Lu N14 O10 P4 S4 W -","- C96 H288 Ag4 Lu4 N56 O40 P16 S16 W4 -","4","1","RZ2754","Zhang, Jinfang","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')lutetium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2012","68","6","m770","m771","10.1107/S1600536812020983","","","0.71073","MoKα","","0.0474","0.0434","","","0.0868","0.0891","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235231","10.2028","0.0014","10.2744","0.0014","11.4529","0.0016","75.405","0.002","83.48","0.002","61.499","0.002","1021","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~2~-benzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^){μ~2~- 1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^}zinc]","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C44 H36 N8 O8 Zn2 -","2","1","RZ2755","Chen, Hong; Xu, Heng","Poly[(μ~2~-benzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^){μ~2~-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}zinc]","Acta Crystallographica Section E","2012","68","6","m826","","10.1107/S1600536812022544","","","0.71073","MoKα","","0.0491","0.0444","","","0.1122","0.1145","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235232","7.0699","0.0001","20.4852","0.0003","22.5416","0.0003","90","","90","","90","","3264.66","0.08","100","1","100","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","3,3'-Dicyclopentyl-1,1'-(1,3-phenylenedimethylene)dibenzimidazol-1-ium bis(hexafluorophosphate)","","- C32 H36 F12 N4 P2 -","- C32 H36 F12 N4 P2 -","- C128 H144 F48 N16 P8 -","4","0.5","RZ2756","Haque, Rosenani A.; Nasri, S. Fatimah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-Dicyclopentyl-1,1'-(1,3-phenylenedimethylene)dibenzimidazol-1-ium bis(hexafluorophosphate)","Acta Crystallographica Section E","2012","68","6","o1868","","10.1107/S160053681202274X","","","0.71073","MoKα","","0.0366","0.0323","","","0.0754","0.0783","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235233","21.196","0.011","21.196","0.011","11.581","0.007","90","","90","","90","","5203","5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Tetra-μ~3~-iodido-tetrakis{[ethyl 2-(1<i>H</i>-benzimidazol-1-yl)acetate-κ<i>N</i>^3^]copper(I)}","","- C44 H48 Cu4 I4 N8 O8 -","- C44 H48 Cu4 I4 N8 O8 -","- C176 H192 Cu16 I16 N32 O32 -","4","0.25","RZ2757","Yang, Lili; Zhang, Zhengyi","Tetra-μ~3~-iodido-tetrakis{[ethyl 2-(1<i>H</i>-benzimidazol-1-yl)acetate-κ<i>N</i>^3^]copper(I)}","Acta Crystallographica Section E","2012","68","6","m796","","10.1107/S160053681202257X","","","0.71073","MoKα","","0.0331","0.0232","","","0.0498","0.0533","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235234","10.1906","0.0008","15.0591","0.0012","13.7938","0.0008","90","","122.376","0.004","90","","1787.8","0.2","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate","","- C23 H15 Br O3 -","- C23 H15 Br O3 -","- C92 H60 Br4 O12 -","4","1","RZ2758","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N","2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate","Acta Crystallographica Section E","2012","68","6","o1876","","10.1107/S1600536812022684","","","0.71073","MoKα","","0.0725","0.0452","","","0.1261","0.1406","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235235","10.8635","0.0009","16.6117","0.0013","13.4146","0.0008","90","","118.843","0.005","90","","2120.5","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-hydroxy-5,10-dimethoxy-2,2-dimethyl-11-(3-methylbut-2-en-1-yl)- 2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-one","3-<i>O</i>-methyl-1-isomangostin","","- C25 H28 O6 -","- C25 H28 O6 -","- C100 H112 O24 -","4","1","RZ2760","Boonnak, Nawong; Chantrapromma, Suchada; Fun, Hoong-Kun","3-<i>O</i>-Methyl-1-isomangostin","Acta Crystallographica Section E","2012","68","6","o1950","o1951","10.1107/S1600536812023409","","","0.71073","MoKα","","0.0646","0.0463","","","0.1197","0.134","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235236","10.2496","0.0009","17.041","0.002","7.4721","0.0006","90","","101.909","0.009","90","","1277","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Methylphenylsulfonyl)succinamic acid","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","RZ2761","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methylphenylsulfonyl)succinamic acid","Acta Crystallographica Section E","2012","68","6","o1885","","10.1107/S1600536812023276","","","0.71073","MoKα","","0.0616","0.0456","","","0.1013","0.1097","","","","","","1.119","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235237","10.1705","0.0006","20.749","0.0012","12.3584","0.0007","90","","109.241","0.001","90","","2462.3","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane- 1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(2-chloroethyl) phosphite-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)","","- C44 H42 Cl3 O12 P3 Ru3 -","- C44 H42 Cl3 O12 P3 Ru3 -","- C88 H84 Cl6 O24 P6 Ru6 -","2","1","RZ2762","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(2-chloroethyl) phosphite-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2012","68","6","m838","m839","10.1107/S1600536812023707","","","0.71073","MoKα","","0.0161","0.0159","","","0.0414","0.0415","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235238","15.786","0.003","29.654","0.006","11.369","0.002","90","","90.89","0.03","90","","5321.4","1.7","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","","- C24 H72 Ag N14 O10 P4 S4 Tb W -","- C24 H72 Ag N14 O10 P4 S4 Tb W -","- C96 H288 Ag4 N56 O40 P16 S16 Tb4 W4 -","4","1","RZ2763","Zhang, Jinfang","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2012","68","6","m843","m844","10.1107/S1600536812023823","","","0.71073","MoKα","","0.0581","0.0502","","","0.0907","0.0949","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235239","9.7666","0.0002","19.4511","0.0005","8.2979","0.0002","90","","98.541","0.001","90","","1558.88","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5,7-Trimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","SJ5234","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2,5,7-Trimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","6","o1751","","10.1107/S160053681202020X","","","0.71073","MoKα","","0.0504","0.0423","","","0.1101","0.1157","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235240","7.543","0.0015","7.763","0.0016","10.713","0.002","83.69","0.03","88.78","0.03","67.23","0.03","574.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(3,3-Dichloroallyloxy)-4-methyl-2-nitrobenzene","","- C10 H9 Cl2 N O3 -","- C10 H9 Cl2 N O3 -","- C20 H18 Cl4 N2 O6 -","2","1","SJ5235","Ren, Dong-mei","1-(3,3-Dichloroallyloxy)-4-methyl-2-nitrobenzene","Acta Crystallographica Section E","2012","68","6","o1929","","10.1107/S1600536812023057","","","0.71073","MoKα","","0.0633","0.0484","","","0.1441","0.156","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235241","8.004","0.0016","8.7276","0.0017","15.782","0.003","90.06","0.03","101.22","0.03","107.95","0.03","1026.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)zinc(II) bis[(2-{3-[2-(carboxylatomethoxy-κ^2^<i>O</i>,<i>O</i>')phenyl]pyrazol-1- yl-κ<i>N</i>^2^}acetato-κ<i>O</i>)chloridozincate(II)]","","- C32 H42 Cl2 N6 O16 Zn3 -","- C32 H42 Cl2 N6 O16 Zn3 -","- C32 H42 Cl2 N6 O16 Zn3 -","1","0.5","SU2397","Yang, Jie; Shen, Lei; Ji, Cheng; Shen, Xiao-Feng; Yang, Gao-Weng","Tetraaquabis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)zinc(II) bis[(2-{3-[2-(carboxylatomethoxy-κ^2^<i>O</i>,<i>O</i>')phenyl]pyrazol-1-yl-κ<i>N</i>^2^}acetato-κ<i>O</i>)chloridozincate(II)]","Acta Crystallographica Section E","2012","68","6","m817","","10.1107/S1600536812023045","","","0.71073","MoKα","","0.073","0.0534","","","0.1535","0.1683","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235242","10.7628","0.0004","6.6016","0.0002","14.6376","0.0005","90","","94.224","0.003","90","","1037.2","0.06","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","14,15-Didehydrohellebrigenin","","- C24 H30 O5 -","- C24 H30 O5 -","- C48 H60 O10 -","2","1","SU2412","Yu, Tong; Tian, Hai-Yan; Yuan, Xiao-Feng; Hu, Shu-Zhi; Jiang, Ren-Wang","14,15-Didehydrohellebrigenin","Acta Crystallographica Section E","2012","68","6","o1614","o1615","10.1107/S1600536812018570","","","1.54184","CuKα","","0.0458","0.0415","","","0.1104","0.1152","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235243","8.439","0.005","10.133","0.008","12.304","0.009","91.858","0.014","94.599","0.017","90.009","0.014","1048.2","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Dimethylammonium 3-carboxybenzoate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","2","SU2413","Siddiqui, Tausif; Koteswara Rao, Vandavasi; Zeller, Matthias; Lovelace-Cameron, Sherri R.","Dimethylammonium 3-carboxybenzoate","Acta Crystallographica Section E","2012","68","6","o1778","","10.1107/S160053681202096X","","","0.71073","MoKα","","0.0693","0.049","","","0.1089","0.1247","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235244","8.8652","0.0013","9.8591","0.0008","10.974","0.0017","73.032","0.015","81.036","0.017","64.374","0.013","826.7","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","6-Chloro-2-phenyl-3-(2-phenylethynyl)quinoxaline","","- C22 H13 Cl N2 -","- C22 H13 Cl N2 -","- C44 H26 Cl2 N4 -","2","1","SU2414","Ouyang, Xi-Lin; Ouyang, Miao; Huang, Shi-Wen","6-Chloro-2-phenyl-3-(2-phenylethynyl)quinoxaline","Acta Crystallographica Section E","2012","68","6","o1741","","10.1107/S1600536812020776","","","0.71075","MoKα","","0.0655","0.048","","","0.118","0.1277","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235245","21.407","0.002","21.407","0.002","13.626","0.003","90","","90","","90","","6244.2","1.6","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","<i>cyclo</i>-Tetrakis{μ-<i>N</i>'-[(8-oxidoquinolin-7- yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate","","- C64 H48 N16 O12 Zn4 -","- C64 H48 N16 O12 Zn4 -","- C256 H192 N64 O48 Zn16 -","4","0.25","SU2415","Wu, Xiang-Wen; Li, Qing-Long; Ma, Jian-Ping; Dong, Yu-Bin","<i>cyclo</i>-Tetrakis{μ-<i>N</i>'-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate","Acta Crystallographica Section E","2012","68","6","m727","m728","10.1107/S1600536812018995","","","0.71073","MoKα","","0.0505","0.036","","","0.0802","0.0868","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235246","17.7","0.014","10.965","0.009","18.37","0.02","90","","90.431","0.006","90","","3565","6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine- κ<i>N</i>}cobalt(II) dinitrate","","- C32 H38 Co N12 O6 -","- C32 H38 Co N12 O6 -","- C128 H152 Co4 N48 O24 -","4","0.5","SU2416","Xiao, Chao-Hu; Song, Xue-Yan; Sun, Zan; Cao, Ping; Pang, Ting","Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}cobalt(II) dinitrate","Acta Crystallographica Section E","2012","68","6","m857","","10.1107/S1600536812021435","","","0.71073","MoKα","","0.075","0.0429","","","0.1041","0.1306","","","","","","1.103","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235247","6.783","0.004","6.895","0.004","8.161","0.005","98.34","0.008","95.845","0.009","104.623","0.008","361.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine‒terephthalic acid (1/1)","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","1","0.5","SU2418","Koteswara Rao, Vandavasi; Zeller, Matthias; Lovelace-Cameron, Sherri R.","4,4'-Bipyridine‒terephthalic acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1711","","10.1107/S1600536812021113","","","0.71073","MoKα","","0.0625","0.0492","","","0.131","0.1434","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235248","16.9336","0.001","15.9602","0.0012","8.7041","0.0005","90","","90","","90","","2352.4","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetraiodo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C19 H16 Cu I4 N2 O2 -","- C19 H16 Cu I4 N2 O2 -","- C76 H64 Cu4 I16 N8 O8 -","4","0.5","SU2420","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetraiodo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","6","m752","","10.1107/S1600536812020387","","","0.71073","MoKα","","0.0417","0.0263","","","0.0521","0.0589","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235249","16.1125","0.0011","15.4789","0.0012","8.4734","0.0005","90","","90","","90","","2113.3","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II)","","- C19 H16 Br4 N2 Ni O2 -","- C19 H16 Br4 N2 Ni O2 -","- C76 H64 Br16 N8 Ni4 O8 -","4","0.5","SU2421","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II)","Acta Crystallographica Section E","2012","68","6","m753","","10.1107/S1600536812020375","","","0.71073","MoKα","","0.0544","0.0328","","","0.0677","0.0753","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235250","6.8472","0.0017","4.8269","0.0016","21.414","0.003","90","","96.696","0.002","90","","702.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxy-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","SU2422","Hou, Jin-Long; Bi, Ye","4-Methoxy-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1725","","10.1107/S1600536812020454","","","0.71073","MoKα","","0.0404","0.0343","","","0.0806","0.0849","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235251","5.377","0.0011","12.598","0.003","15.601","0.003","90","","90","","90","","1056.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,4-Difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanol","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C40 H36 F8 N12 O4 -","4","1","SU2423","Kesternich, Victor; Nelson-González, Ronald; Pérez-Fehrmann, Marcia; Cárdenas, Alejandro; Brito, Iván","1-(2,4-Difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanol","Acta Crystallographica Section E","2012","68","6","o1727","","10.1107/S1600536812020661","","","0.71073","MoKα","","0.0728","0.0629","","","0.1427","0.1486","","","","","","1.159","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235252","11.3153","0.0004","12.1183","0.0005","17.13","0.0006","76.251","0.003","79.747","0.003","88.913","0.003","2244.5","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5-Methoxy-2-[(5-methoxy-1<i>H</i>-indol-1-yl)carbonyl]-1<i>H</i>-indole","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C114 H96 N12 O18 -","6","3","SU2424","Attia, Mohamed I.; El-Brollosy, Nasser R.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-Methoxy-2-[(5-methoxy-1<i>H</i>-indol-1-yl)carbonyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","6","o1775","","10.1107/S1600536812020399","","","1.54184","CuKα","","0.0527","0.0426","","","0.112","0.121","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235253","4.7924","0.0006","13.7083","0.0019","11.8293","0.0015","90","","101.538","0.012","90","","761.43","0.17","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(Cyclohex-3-en-1-ylmethoxy)methyl]-6-phenyl-1,2,4-triazine- 3,5(2<i>H</i>,4<i>H</i>)-dione","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C34 H38 N6 O6 -","2","1","SU2425","El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(Cyclohex-3-en-1-ylmethoxy)methyl]-6-phenyl-1,2,4-triazine-3,5(2<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","6","o1776","o1777","10.1107/S1600536812021198","","","0.71073","MoKα","","0.112","0.0612","","","0.1058","0.1328","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235254","8.785","0.003","9.122","0.003","11.425","0.004","66.61","0.02","87.66","0.02","69.38","0.02","781.3","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1λ^6^,2- benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C34 H32 N4 O8 S2 -","2","1","SU2428","Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Siddiqui, Hamid Latif; Parvez, Masood","<i>N</i>-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxamide","Acta Crystallographica Section E","2012","68","6","o1921","","10.1107/S1600536812022805","","","0.71073","MoKα","","0.0552","0.0463","","","0.1072","0.1134","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235255","11.757","0.0004","12.2477","0.0004","10.2954","0.0003","90","","106.532","0.001","90","","1421.21","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Anilino-3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-3-ium chloride","","- C13 H17 Cl N2 O S -","- C13 H17 Cl N2 O S -","- C52 H68 Cl4 N8 O4 S4 -","4","1","SU2431","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Khalilov, Ali N.","2-Anilino-3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-3-ium chloride","Acta Crystallographica Section E","2012","68","6","o1881","o1882","10.1107/S1600536812023197","","","0.71073","MoKα","","0.0415","0.0322","","","0.0785","0.0839","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235256","14.908","0.0019","15.3961","0.0019","11.1501","0.0014","90","","93.657","0.002","90","","2554","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-aminium bromide monohydrate","","- C11 H16 Br N3 O2 -","- C11 H16 Br N3 O2 -","- C88 H128 Br8 N24 O16 -","8","1","SU2432","Yang, Yan-Yun; Xu, Liang; Kang, Ting-Guo; Chen, Ting; Wu, Ping","1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-aminium bromide monohydrate","Acta Crystallographica Section E","2012","68","6","o1964","","10.1107/S1600536812023550","","","0.71073","MoKα","","0.0737","0.0393","","","0.0954","0.108","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235257","9.7452","0.0002","9.9905","0.0002","17.3968","0.0003","90","","99.87","0.001","90","","1668.67","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[4-(4-Chlorobenzenesulfonamido)phenylsulfonyl]acetamide","","- C14 H13 Cl N2 O5 S2 -","- C14 H13 Cl N2 O5 S2 -","- C56 H52 Cl4 N8 O20 S8 -","4","1","SU2434","Khan, Islam Ullah; Ejaz; Farid, Sidra; Harrison, William T. A.","<i>N</i>-[4-(4-Chlorobenzenesulfonamido)phenylsulfonyl]acetamide","Acta Crystallographica Section E","2012","68","6","o1913","","10.1107/S1600536812023434","","","0.71073","MoKα","","0.0484","0.0338","","","0.083","0.0917","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235258","9.4388","0.0004","6.5476","0.0003","32.1483","0.0018","90","","91.288","0.004","90","","1986.31","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol- 4-yl]-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C20 H19 F N6 S -","- C20 H19 F N6 S -","- C80 H76 F4 N24 S4 -","4","1","SU2439","Abdel-Wahab, Bakr F.; Abdel-Latif, Ehab; Ng, Seik Weng; Tiekink, Edward R. T.","5-(4-Fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2012","68","6","o1954","o1955","10.1107/S1600536812024245","","","0.71073","MoKα","","0.0565","0.0433","","","0.1011","0.1092","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235259","11.3476","0.0007","14.0549","0.0008","15.954","0.007","90","","90","","90","","2544.5","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-{1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-4,5-dihydro- 1<i>H</i>-pyrazol-3-yl}-5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole","","- C28 H22 Br F N6 S -","- C28 H22 Br F N6 S -","- C112 H88 Br4 F4 N24 S4 -","4","1","SU2440","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-{1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl}-5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2012","68","6","o1956","o1957","10.1107/S1600536812024257","","","0.71073","MoKα","","0.0429","0.0351","","","0.0737","0.0773","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235260","19.8172","0.0014","4.7217","0.0001","12.3106","0.0002","90","","104.005","0.007","90","","1117.67","0.09","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-((<i>E</i>)-{[4-(Hydroxymethyl)phenyl]imino}methyl)phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","TK5090","Mohamed, Shaaban K.; Abdelhamid, Antar A.; Akkurt, Mehmet; Fanwick, Phillip E.; Maharramov, A. M.","2-((<i>E</i>)-{[4-(Hydroxymethyl)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2012","68","6","o1618","","10.1107/S1600536812019368","","","1.54178","CuKα","","0.0424","0.0369","","","0.1003","0.1073","","","","","","1.135","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235261","14.5906","0.0019","12.772","0.0017","16.441","0.002","90","","103.114","0.002","90","","2983.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cinnarizinium picrate","Cinnarizinium picrate","","- C32 H31 N5 O7 -","- C32 H31 N5 O7 -","- C128 H124 N20 O28 -","4","1","TK5091","Song, Yanxi; Chidan Kumar, C. S.; Nethravathi, G. B.; Naveen, S.; Li, Hongqi","Cinnarizinium picrate","Acta Crystallographica Section E","2012","68","6","o1747","","10.1107/S1600536812020764","","","0.71073","MoKα","","0.0897","0.0509","","","0.1221","0.1431","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235262","6.4594","0.0013","4.5998","0.0013","20.598","0.005","90","","95.08","0.04","90","","609.6","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-4-Amino-<i>N</i>'-(2-nitrobenzylidene)benzohydrazide","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C28 H24 N8 O6 -","2","1","TK5092","Shi, Zhong-Feng; Li, Jia-Ming","(<i>E</i>)-4-Amino-<i>N</i>'-(2-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1726","","10.1107/S1600536812020855","","","0.71073","MoKα","","0.0471","0.0448","","","0.1092","0.1112","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235263","5.3769","0.0011","10.105","0.002","12.32","0.003","70.85","0.03","82.89","0.03","84.87","0.03","626.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Nitro-2-phenylchroman","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","TK5093","Zhao, Pei-Hua; Hao, Er-Jun; Liu, Ya-Qing; Zhao, Gui-Zhe","3-Nitro-2-phenylchroman","Acta Crystallographica Section E","2012","68","6","o1742","","10.1107/S1600536812020806","","","0.71073","MoKα","","0.1152","0.0554","","","0.1257","0.1516","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235264","11.006","0.003","16.699","0.004","9.659","0.002","90","","93.009","0.003","90","","1772.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethyl- <i>N</i>-[3-(trifluoromethyl)phenyl]cyclopropanecarboxamide","","- C16 H14 Cl F6 N O -","- C16 H14 Cl F6 N O -","- C64 H56 Cl4 F24 N4 O4 -","4","1","TK5094","Rao, Guo-Wu; Li, Xiao-Min; Sun, Na-Bo","3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethyl-<i>N</i>-[3-(trifluoromethyl)phenyl]cyclopropanecarboxamide","Acta Crystallographica Section E","2012","68","6","o1743","","10.1107/S1600536812020922","","","0.71073","MoKα","","0.0844","0.0635","","","0.1596","0.1753","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235265","7.5628","0.0007","8.6274","0.0008","15.532","0.002","97.348","0.002","93.363","0.004","102.41","0.007","977.72","0.18","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-aqua-bis{diaqua[μ-4-({4-[bis(2-hydroxyethyl)amino]-6- chloro-1,3,5-triazin-2-yl}amino)benzenesulfonato]sodium(I)}","","- C26 H42 Cl2 N10 Na2 O16 S2 -","- C26 H42 Cl2 N10 Na2 O16 S2 -","- C26 H42 Cl2 N10 Na2 O16 S2 -","1","0.5","TK5096","Zhang, Mei; Sun, Fu-Yu; Zhao, Gui-Zhe; Liu, Ya-Qing","Di-μ-aqua-bis{diaqua[μ-4-({4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)benzenesulfonato]sodium(I)}","Acta Crystallographica Section E","2012","68","6","m847","m848","10.1107/S1600536812023732","","","0.71073","MoKα","","0.0971","0.062","","","0.1153","0.1307","","","","","","0.873","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235266","10.8944","0.0002","17.217","0.0004","15.6759","0.0002","90","","102.834","0.001","90","","2866.86","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(2-<i>tert</i>-Butoxy-2-oxoethoxy)naphthalen-1-yl]diphenylsulfonium trifluoromethanesulfonate","","- C29 H27 F3 O6 S2 -","- C29 H27 F3 O6 S2 -","- C116 H108 F12 O24 S8 -","4","1","TK5097","Kang, Sung Kwon; Jang, Siyoung","[4-(2-<i>tert</i>-Butoxy-2-oxoethoxy)naphthalen-1-yl]diphenylsulfonium trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","6","o1822","","10.1107/S1600536812022167","","","0.71073","MoKα","","0.0952","0.0606","","","","0.2137","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235267","11.6354","0.0004","6.3798","0.0002","14.4513","0.0005","90","","92.767","0.003","90","","1071.49","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C52 H48 Cl4 N4 O4 -","4","1","TK5099","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.; Gupta, Sushil K.; Öztürk Yildirim, Sema","2-Chloro-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1887","","10.1107/S1600536812022945","","","0.71073","MoKα","","0.0532","0.0392","","","0.0876","0.0957","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235268","7.5151","0.0007","19.6463","0.0017","16.2578","0.0015","90","","99.898","0.002","90","","2364.6","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-6-{[1-(3-ethoxy-2-hydroxybenzyl)-1<i>H</i>-benzimidazol- 2-yl]methyl}phenol nitromethane monosolvate","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","TK5103","Ha, Kwang","2-Ethoxy-6-{[1-(3-ethoxy-2-hydroxybenzyl)-1<i>H</i>-benzimidazol-2-yl]methyl}phenol nitromethane monosolvate","Acta Crystallographica Section E","2012","68","6","o1914","","10.1107/S1600536812023665","","","0.71073","MoKα","","0.1729","0.0638","","","0.1159","0.1565","","","","","","0.95","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235269","16.1835","0.0007","11.6719","0.0004","16.7332","0.0006","90","","112.127","0.003","90","","2928","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazinyl]-4-[3-(morpholin-4-ium- 4-yl)propylamino]quinazolin-1-ium bis(perchlorate)","","- C22 H27 Cl3 N6 O9 -","- C22 H27 Cl3 N6 O9 -","- C88 H108 Cl12 N24 O36 -","4","1","VM2162","Jiang, Nan; Zuo, Jian; Zhu, Wenmin; Zhao, Xinjie; Zhai, Xin","(<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazinyl]-4-[3-(morpholin-4-ium-4-yl)propylamino]quinazolin-1-ium bis(perchlorate)","Acta Crystallographica Section E","2012","68","6","o1819","","10.1107/S1600536812021678","","","0.71073","MoKα","","0.1327","0.0701","","","0.1867","0.2151","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235270","38.68","0.02","12.3","0.007","9.975","0.005","90","","101.263","0.007","90","","4654","4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C204 H288 N24 O12 -","12","3","VM2165","Lv, Diya; Cao, Yan; Dong, Xin; Lou, Ziyang; Chai, Yifeng","4-Methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)benzamide","Acta Crystallographica Section E","2012","68","6","o1781","","10.1107/S1600536812017795","","","0.71073","MoKα","","0.0841","0.0508","","","0.1235","0.1505","","","","","","0.958","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235271","6.7162","0.0001","13.6796","0.0002","25.9859","0.0005","90","","90","","90","","2387.45","0.07","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","brusatol","brusatol","","- C26 H32 O11 -","- C26 H32 O11 -","- C104 H128 O44 -","4","1","VM2168","Hu, Shu-Zhi; Jin, Lu; Yu, Tong; Tian, Hai-Yan; Jiang, Ren-Wang","Brusatol","Acta Crystallographica Section E","2012","68","6","o1592","o1593","10.1107/S1600536812018582","","","1.54184","CuKα","","0.0348","0.0323","","","0.0827","0.0847","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235272","12.476","0.003","12.775","0.003","7.223","0.0014","90","","92.32","0.03","90","","1150.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-4-(3,3-dichloroallyloxy)-1-nitrobenzene","","- C9 H6 Cl3 N O3 -","- C9 H6 Cl3 N O3 -","- C36 H24 Cl12 N4 O12 -","4","1","VM2169","Yu, Xiao-feng; Xia, Zheng-jun; Li, Chun-ya","2-Chloro-4-(3,3-dichloroallyloxy)-1-nitrobenzene","Acta Crystallographica Section E","2012","68","6","o1598","","10.1107/S160053681201865X","","","0.71073","MoKα","","0.102","0.0659","","","0.1587","0.1833","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235273","11.788","0.004","17.045","0.006","7.229","0.002","90","","106.42","0.007","90","","1393.3","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-<i>tert</i>-Butyl 4-methyl 3,5-dimethyl-1<i>H</i>-pyrrole-2,4-dicarboxylate","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","VM2170","Cai, Hong-Xin; Zhang, Zhao-Po","2-<i>tert</i>-Butyl 4-methyl 3,5-dimethyl-1<i>H</i>-pyrrole-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1697","","10.1107/S1600536812020120","","","0.71073","MoKα","","0.122","0.0705","","","0.2057","0.25","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235274","9.5239","0.0003","10.4564","0.0004","10.812","0.0004","66.87","0.001","72.208","0.001","72.908","0.001","924.04","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-[(3-Hydroxyanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>- pyrazol-5(4<i>H</i>)-one","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C46 H38 N6 O4 -","2","1","VM2173","Saida, Keraghel; Fatiha, Benghanem; Ouarda, Dehbi; Ali, Ourari; Kamel, Ouari; Brelot, Lydia","4-[(3-Hydroxyanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1909","o1910","10.1107/S1600536812023082","","","0.71073","MoKα","","0.0502","0.0375","","","0.0907","0.0964","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235275","11.276","0.002","11.776","0.002","14.189","0.003","73.01","0.03","88.42","0.02","85.57","0.03","1796.5","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","","- C19 H22 Cl N O -","- C19 H22 Cl N O -","- C76 H88 Cl4 N4 O4 -","4","2","VM2174","Balamurugan, P.; Kanmani Raja, K.; Easwaramoorthy, D.; Chakkaravarthi, G.; Rajagopal, G.","4-Chloro-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","6","o1721","","10.1107/S1600536812020612","","","0.71073","MoKα","","0.0869","0.049","","","0.1253","0.1528","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235276","8.1336","0.0003","13.6111","0.0005","14.6102","0.0005","90","","90.55","0.001","90","","1617.38","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido{<i>N</i>'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide- κ^2^<i>N</i>',<i>O</i>}cadmium","","- C13 H12 Br2 Cd N4 O -","- C13 H12 Br2 Cd N4 O -","- C52 H48 Br8 Cd4 N16 O4 -","4","1","VM2176","Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Yazdi, Seyed Abolfazl Hosseini; Afkhami, Farhad Akbari","Dibromido{<i>N</i>'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium","Acta Crystallographica Section E","2012","68","6","m842","","10.1107/S1600536812023185","","","0.71073","MoKα","","0.0486","0.0278","","","0.0569","0.0623","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235277","16.86","0.003","16.63","0.003","16.22","0.003","90","","105.41","0.03","90","","4384.3","1.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Dichloridobis[ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate-κ^2^<i>O</i>,<i>N</i>^3^]cadmium","","- C14 H20 Cd Cl2 N4 O4 S2 -","- C14 H20 Cd Cl2 N4 O4 S2 -","- C112 H160 Cd8 Cl16 N32 O32 S16 -","8","2","VN2035","Zhang, Lai-Jun; Chen, Fa-Yun; Liu, Guang-Yi; Chen, Xiao; Chen, Zhi-Feng","Dichloridobis[ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate-κ^2^<i>O</i>,<i>N</i>^3^]cadmium","Acta Crystallographica Section E","2012","68","6","m788","m789","10.1107/S1600536812021976","","","0.71073","MoKα","","0.0239","0.0215","","","0.0473","0.0483","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235278","12.7034","0.0004","11.3939","0.0004","15.8258","0.0005","90","","90","","90","","2290.65","0.13","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[aqualithium(I)]-μ-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5λ^4^- borataspiro[4.4]nonane-2,7-dione]","","- C8 H14 B Li O7 -","- C8 H14 B Li O7 -","- C64 H112 B8 Li8 O56 -","8","1","VN2036","Allen, Joshua L.; Paillard, Elie; Boyle, Paul D.; Henderson, Wesley A.","Lithium bis(2-methyllactato)borate monohydrate","Acta Crystallographica Section E","2012","68","6","m749","","10.1107/S1600536812017540","","","0.71073","MoKα","","0.0521","0.0357","","","0.0903","0.098","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235279","6.699","0.0008","10.3103","0.001","13.0979","0.0013","89.039","0.007","89.004","0.007","82.062","0.007","895.76","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-1,3-benzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmate hexahydrate","","- C30 H42 Cd N4 O16 S2 -","- C30 H42 Cd N4 O16 S2 -","- C30 H42 Cd N4 O16 S2 -","1","0.5","VN2038","Zhang, Fan; Lin, Qiu-Yue; Chen, Ling-Ling; Ke, Jun-Gang","Bis(2-amino-1,3-benzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmate hexahydrate","Acta Crystallographica Section E","2012","68","6","m818","","10.1107/S1600536812022593","","","0.71073","MoKα","","","0.0292","","","0.0674","0.0699","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235280","8.0412","0.0016","8.7303","0.0017","11.598","0.002","105.12","0.03","90.2","0.03","109.71","0.03","736.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cadmium]bis[μ-1,3-bis[(1<i>H</i>- 1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]]","","- C24 H24 Cd N14 O6 -","- C24 H24 Cd N14 O6 -","- C24 H24 Cd N14 O6 -","1","0.5","VN2040","Zhang, Hong-Kun; Wang, Xin; Wang, Shuai; Wang, Xiao-Dan","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cadmium]bis[μ-1,3-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]]","Acta Crystallographica Section E","2012","68","6","m856","","10.1107/S1600536812023288","","","0.71073","MoKα","","0.0317","0.0304","","","0.0791","0.0796","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235281","10.301","0.003","15.461","0.004","23.384","0.006","90","","90","","90","","3724.2","1.7","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","heptasodium tridecamagnesium neodymium dodecakisphosphate","","- Mg13 Na7 Nd O48 P12 -","- Mg13 Na7 Nd O48 P12 -","- Mg52 Na28 Nd4 O192 P48 -","4","0.5","WM2593","Jerbi, Hasna; Hidouri, Mourad; Mongi, Ben Amara","Na~7~Mg~13~Nd(PO~4~)~12~","Acta Crystallographica Section E","2012","68","6","i44","","10.1107/S1600536812017850","","","0.71069","MoKα","","0.1149","0.0568","","","0.0883","0.1074","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235282","6.841","0.003","27.069","0.009","7.231","0.003","90","","109.413","0.005","90","","1262.9","0.9","270.1","","270","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","calcium tetrathiodigallate(III)","","- Ca Ga2 S4 -","- Ca Ga2 S4 -","- Ca8 Ga16 S32 -","8","2","WM2605","Suzuki, Akihiro; Takizawa, Takeo; Hidaka, Chiharu; Shigetaka, Nomura; Kitajima, Ittetsu","A novel monoclinic phase of impurity-doped CaGa~2~S~4~ as a phosphor with high emission intensity","Acta Crystallographica Section E","2012","68","6","i42","","10.1107/S1600536812019113","","","0.71075","MoKα","","","0.0379","","","","0.0497","","","","","","1.205","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235283","6.747","0.0007","12.982","0.0009","11.297","0.0008","90","","98.85","0.03","90","","977.72","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","silver(I) manganese(II) trisorthoarsenate(V)","","- Ag1.09 As3 Mn3.46 O12 -","- Ag1.0895 As3 Mn3.458 O12 -","- Ag4.358 As12 Mn13.832 O48 -","4","1","WM2611","Frigui, Wafa; Zid, Mohamed Faouzi; Driss, Ahmed","Wyllieite-type Ag~1.09~Mn~3.46~(AsO~4~)~3~","Acta Crystallographica Section E","2012","68","6","i40","i41","10.1107/S1600536812018843","","","0.71073","MoKα","","0.0471","0.0323","","","0.0915","0.098","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235284","15.1617","0.0016","9.981","0.0011","7.8022","0.0008","90","","90","","90","","1180.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[cadmium-μ-[1,3-bis(imidazol-1-yl)propane]-di-μ-chlorido]","","- C9 H12 Cd Cl2 N4 -","- C9 H12 Cd Cl2 N4 -","- C36 H48 Cd4 Cl8 N16 -","4","1","WM2624","Shen, Qiao-Lian; Lin, Hong","<i>catena</i>-Poly[cadmium-μ-[1,3-bis(imidazol-1-yl)propane]-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","6","m776","","10.1107/S1600536812021083","","","0.71073","MoKα","","","0.0134","","","0.036","0.0365","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235285","8.3562","0.0017","10.236","0.002","17.972","0.004","90","","98.8","0.03","90","","1519.1","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Diaquabis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole- κ<i>N</i>^3^}dichloridocadmium hexahydrate","","- C22 H36 Cd Cl2 N8 O8 -","- C22 H36 Cd Cl2 N8 O8 -","- C44 H72 Cd2 Cl4 N16 O16 -","2","0.5","WM2627","Xie, Xin-Nian; Lu, Meng; Yuan, Juan; Yang, Huai-Xia","Diaquabis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}dichloridocadmium hexahydrate","Acta Crystallographica Section E","2012","68","6","m754","","10.1107/S160053681202034X","","","0.71073","MoKα","","0.0531","0.0474","","","0.1186","0.1234","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235286","7.8444","0.0003","10.0033","0.0003","9.0371","0.0004","90","","114.838","0.005","90","","643.54","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Potassium [iron(II)/magnesium] iron(III) bis(orthophosphate)","","- Fe1.91 K Mg0.09 O8 P2 -","- Fe1.912 K Mg0.088 O8 P2 -","- Fe7.648 K4 Mg0.352 O32 P8 -","4","1","WM2629","Yatskin, Michael M.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","KMg~0.09~Fe~1.91~(PO~4~)~2~","Acta Crystallographica Section E","2012","68","6","i51","","10.1107/S1600536812023975","","","0.71073","MoKα","","0.043","0.0415","","","","0.1172","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235287","7.9098","0.0004","8.0028","0.0004","8.0864","0.0005","88.62","0.002","71.27","0.002","72.03","0.002","459.52","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ~5~-pyridine-3,5-dicarboxylato)strontium]","","- C7 H7 N O6 Sr -","- C7 H7 N O6 Sr -","- C14 H14 N2 O12 Sr2 -","2","1","WM2630","Li, Dan; Duan, Chaowen","Poly[diaqua(μ~5~-pyridine-3,5-dicarboxylato)strontium]","Acta Crystallographica Section E","2012","68","6","m835","","10.1107/S1600536812023379","","","0.71073","MoKα","","0.0183","0.0172","","","0.046","0.0464","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235288","11.0398","0.0005","11.0398","0.0005","24.195","0.001","90","","90","","120","","2553.75","0.19","298","2","298","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","dimagnesium pentaeicosaboride","","- B25 Mg2 -","- B24.9975 Mg2.00235 -","- B299.97 Mg24.0282 -","12","0.333333","WM2631","Bindi, Luca; Figini Albisetti, Alessandro; Giunchi, Giovanni; Malpezzi, Luciana; Masciocchi, Norberto","Redetermination of Mg~2~B~25~ based on single-crystal X-ray data","Acta Crystallographica Section E","2012","68","6","i50","","10.1107/S1600536812023768","","","0.71073","MoKα","","0.022","0.0214","","","0.0485","0.0485","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235289","7.434","0.003","10.554","0.004","13.537","0.005","90","","103.118","0.005","90","","1034.4","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","17<i>β</i>H-periplogenin","4-[(3<i>S</i>,5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>S</i>)-3,5,14-trihydroxy-10,13-dimethyl-hexadecahydro-1<i>H</i>- cyclopenta[<i>a</i>]phenanthren-17-yl]furan-2(5<i>H</i>)-one","","- C23 H34 O5 -","- C23 H34 O5 -","- C46 H68 O10 -","2","1","WN2470","Zhang, Yu-Wei; Bao, Yong-Li; Wu, Yin; Yu, Chun-Lei; Li, Yu-Xin","17β<i>H</i>-Periplogenin, a cardiac aglycone from the root bark of <i>Periploca sepium</i> Bunge","Acta Crystallographica Section E","2012","68","6","o1582","o1583","10.1107/S1600536812018521","","","0.71073","MoKα","","0.1187","0.0526","","","0.1016","0.1259","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235290","14.177","0.002","10.4002","0.0018","21.347","0.004","90","","100.621","0.002","90","","3093.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)(2-hydroxy-5-oxocyclopent-1-en-1-yl)methyl]- 3-hydroxycyclopent-2-en-1-one","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C136 H120 Cl8 O32 -","8","2","WN2471","Li, Gongzhen; Cai, Peijun; Huo, Junhao; Shi, Chong","2-[(4-Chlorophenyl)(2-hydroxy-5-oxocyclopent-1-en-1-yl)methyl]-3-hydroxycyclopent-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1667","","10.1107/S1600536812018715","","","0.71073","MoKα","","0.0437","0.037","","","0.0986","0.1053","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235291","13.7023","0.0004","15.9082","0.0004","7.5511","0.0002","90","","103.358","0.001","90","","1601.45","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C68 H76 N4 O8 S8 -","4","1","WN2472","Mahabaleshwaraiah, N. M.; Kumar, K. Mahesh; Kotresh, O.; Al-eryani, Waleed Fadl Ali; Devarajegowda, H. C.","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","6","o1584","","10.1107/S1600536812018004","","","0.71073","MoKα","","0.0415","0.035","","","0.0952","0.0991","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235292","5.1446","0.0012","8.4165","0.0019","9.953","0.002","76.656","0.004","88.177","0.004","85.715","0.004","418.11","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,2',2'',2'''-(1,4-Phenylenedinitrilo)tetraacetic acid dihydrate","","- C14 H20 N2 O10 -","- C14 H20 N2 O10 -","- C14 H20 N2 O10 -","1","0.5","WN2473","Yan, Juanzhi; Ma, Ling; Zhu, Miaoli; Zhang, Xiangdong; Ge, Chunhua","2,2',2'',2'''-(1,4-Phenylenedinitrilo)tetraacetic acid dihydrate","Acta Crystallographica Section E","2012","68","6","o1623","","10.1107/S1600536812019095","","","0.71073","MoKα","","0.0594","0.046","","","0.1097","0.1194","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235293","7.857","0.0002","23.7745","0.0005","9.7684","0.0002","90","","109.483","0.001","90","","1720.22","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethyldithiocarbamate","","- C17 H21 N O2 S2 -","- C17 H21 N O2 S2 -","- C68 H84 N4 O8 S8 -","4","1","WN2474","Kumar, K. Mahesh; Devarajegowda, H. C.; Jeyaseelan, S.; Mahabaleshwaraiah, N. M.; Kotresh, O.","(5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethyldithiocarbamate","Acta Crystallographica Section E","2012","68","6","o1657","","10.1107/S1600536812019757","","","0.71073","MoKα","","0.0539","0.0505","","","0.1327","0.1347","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235294","15.404","0.004","9.483","0.002","11.858","0.003","90","","103.464","0.004","90","","1684.6","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-{[3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2- dimethylcyclopropan-1-yl]carbonyl}-3-(methylsulfonyl)imidazolidin-2-one","","- C13 H16 Cl F3 N2 O4 S -","- C13 H16 Cl F3 N2 O4 S -","- C52 H64 Cl4 F12 N8 O16 S4 -","4","1","WN2475","Sun, Na-Bo; Rao, Guo-Wu; Chu, Jian-Bo","1-{[3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropan-1-yl]carbonyl}-3-(methylsulfonyl)imidazolidin-2-one","Acta Crystallographica Section E","2012","68","6","o1744","","10.1107/S1600536812021216","","","0.71073","MoKα","","0.0698","0.0616","","","0.1684","0.1749","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235295","17.3005","0.0016","10.0084","0.0007","13.699","0.0012","90","","112.641","0.011","90","","2189.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(benzylaminium) 4,5-dichlorophthalate monohydrate","Bis(benzylaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate","","- C22 H24 Cl2 N2 O5 -","- C22 H24 Cl2 N2 O5 -","- C88 H96 Cl8 N8 O20 -","4","1","WN2476","Smith, Graham; Wermuth, Urs D.","Bis(benzylaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate","Acta Crystallographica Section E","2012","68","6","o1928","","10.1107/S1600536812023458","","","0.71073","MoKα","","0.0869","0.068","","","0.1808","0.1889","","","","","","1.19","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235296","9.2485","0.0018","10.029","0.002","14.754","0.003","79.4","0.03","75.79","0.03","67.74","0.03","1221.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(2-trifluoromethyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate dihydrate","","- C16 H16 Cl4 F6 Hg N4 O2 -","- C16 H16 Cl4 F6 Hg N4 O2 -","- C32 H32 Cl8 F12 Hg2 N8 O4 -","2","1","XU5519","Liu, Ming-Liang","Bis(2-trifluoromethyl-1<i>H</i>-benzimidazol-3-ium) tetrachloridomercurate dihydrate","Acta Crystallographica Section E","2012","68","6","m716","","10.1107/S1600536812018855","","","0.71073","MoKα","","0.0809","0.0529","","","0.1054","0.1186","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235297","5.802","0.003","11.341","0.006","17.613","0.008","90","","99.793","0.018","90","","1142.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ-Naphthalene-1,5-disulfonato- κ^2^<i>O</i>^1^:<i>O</i>^5^)bis[triaqua(glycinato- κ^2^<i>N</i>,<i>O</i>)copper(II)]","","- C14 H26 Cu2 N2 O16 S2 -","- C14 H26 Cu2 N2 O16 S2 -","- C28 H52 Cu4 N4 O32 S4 -","2","0.5","XU5523","Gao, Shan; Ng, Seik Weng","(μ-Naphthalene-1,5-disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^)bis[triaqua(glycinato-κ^2^<i>N</i>,<i>O</i>)copper(II)]","Acta Crystallographica Section E","2012","68","6","m730","","10.1107/S1600536812019332","","","0.71073","MoKα","","0.0272","0.0258","","","0.0721","0.0729","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235298","6.6166","0.0002","7.6552","0.0003","8.3495","0.0005","63.957","0.005","69.83","0.002","74.367","0.004","353.16","0.03","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4-Cyanopyridinium chloride","","- C6 H5 Cl N2 -","- C6 H5 Cl N2 -","- C12 H10 Cl2 N4 -","2","1","XU5524","Zheng, Wen-Ni","4-Cyanopyridinium chloride","Acta Crystallographica Section E","2012","68","6","o1611","","10.1107/S1600536812018648","","","0.71073","MoKα","","0.0942","0.0856","","","0.2316","0.2344","","","","","","1.321","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235299","10.149","0.002","14.802","0.003","20.405","0.004","90","","90","","90","","3065.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(3,5-di-<i>tert</i>-butyl-4<i>H</i>-1,2,4-triazol-4-amine- κ<i>N</i>^1^)(nitrato-κ<i>O</i>)silver(I) ethanol monosolvate monohydrate","","- C22 H48 Ag N9 O5 -","- C22 H48 Ag N9 O5 -","- C88 H192 Ag4 N36 O20 -","4","1","XU5525","Liu, Ya-Mei; Chen, Jing-Huo; Yang, Guang; Ng, Seik Weng","Bis(3,5-di-<i>tert</i>-butyl-4<i>H</i>-1,2,4-triazol-4-amine-κ<i>N</i>^1^)(nitrato-κ<i>O</i>)silver(I) ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","6","m731","","10.1107/S1600536812019058","","","0.71073","MoKα","","0.0682","0.0536","","","0.0851","0.0908","","","","","","1.152","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235300","6.0686","0.0002","18.6887","0.0005","14.9734","0.0004","90","","91.559","0.001","90","","1697.57","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1-(4-Chlorophenyl)-5-hydroxy-3-phenyl-1<i>H</i>-pyrazol-4-yl](thiophen- 2-yl)methanone","","- C20 H13 Cl N2 O2 S -","- C20 H13 Cl N2 O2 S -","- C80 H52 Cl4 N8 O8 S4 -","4","1","XU5526","Deng, Gui-Ming; Zhang, He-Ming; Ou-Yang, Lin-Qi; Tong, Qiao-Zhen; Li, Shan","[1-(4-Chlorophenyl)-5-hydroxy-3-phenyl-1<i>H</i>-pyrazol-4-yl](thiophen-2-yl)methanone","Acta Crystallographica Section E","2012","68","6","o1639","","10.1107/S1600536812019253","","","0.71073","MoKα","","0.0338","0.0309","","","0.0865","0.0884","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235301","14.9484","0.0002","9.9173","0.0001","17.5713","0.0003","90","","111.119","0.001","90","","2429.95","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1''-Bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole-3,7'- [6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","","- C30 H32 N4 O2 -","- C30 H32 N4 O2 -","- C120 H128 N16 O8 -","4","0.5","XU5527","Al Mamari, Khalil; Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","1,1''-Bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole-3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","Acta Crystallographica Section E","2012","68","6","o1637","","10.1107/S1600536812019216","","","0.71073","MoKα","","0.0447","0.0395","","","0.1127","0.1186","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235302","14.1658","0.0003","9.7203","0.0002","20.6677","0.0003","90","","100.037","0.001","90","","2802.3","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5''-Dibromo-1,1''-bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole- 3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","","- C30 H30 Br2 N4 O2 -","- C30 H30 Br2 N4 O2 -","- C120 H120 Br8 N16 O8 -","4","1","XU5528","Al Mamari, Khalil; Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","5,5''-Dibromo-1,1''-bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole-3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","Acta Crystallographica Section E","2012","68","6","o1638","","10.1107/S1600536812019228","","","0.71073","MoKα","","0.0856","0.04","","","0.094","0.1131","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235303","11.201","0.005","12.387","0.007","16.718","0.007","90","","93.18","0.04","90","","2316","1.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{μ-2,6-bis[(2-aminoethyl)iminomethyl]-4-chlorophenolato}-μ-oxido- dicopper(II) trihydrate","","- C14 H26 Cl2 Cu2 N4 O5 -","- C14 H26 Cl2 Cu2 N4 O5 -","- C56 H104 Cl8 Cu8 N16 O20 -","4","1","XU5529","Zhou, Jing-Jing; Xiao, Wei; Mao, Jia-Wei; Zhou, Hong","Chlorido{μ-2,6-bis[(2-aminoethyl)iminomethyl]-4-chlorophenolato}-μ-oxido-dicopper(II) trihydrate","Acta Crystallographica Section E","2012","68","6","m794","m795","10.1107/S160053681202301X","","","0.71073","MoKα","","0.0754","0.0607","","","0.1686","0.1745","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235304","7.1932","0.0002","17.8616","0.0004","19.1963","0.0005","90","","95.156","0.003","90","","2456.4","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(Propan-2-yloxy)carbonyl]quinolin-1-ium tetrachlorido(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","","- C23 H20 Cl4 N2 O4 Sn -","- C23 H20 Cl4 N2 O4 Sn -","- C92 H80 Cl16 N8 O16 Sn4 -","4","1","XU5530","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","2-[(Propan-2-yloxy)carbonyl]quinolin-1-ium tetrachlorido(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2012","68","6","m732","","10.1107/S1600536812019496","","","0.71073","MoKα","","0.0347","0.0265","","","0.0572","0.0622","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235305","8.9431","0.0003","11.5892","0.0004","20.1795","0.0008","90","","101.347","0.004","90","","2050.59","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","","- C19 H16 Cl4 N2 O2 Sn -","- C19 H16 Cl4 N2 O2 Sn -","- C76 H64 Cl16 N8 O8 Sn4 -","4","1","XU5531","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2012","68","6","m738","","10.1107/S1600536812019459","","","0.71073","MoKα","","0.031","0.0249","","","0.0526","0.0553","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235306","7.0509","0.0014","19.12","0.004","13.443","0.003","90","","95.2","0.03","90","","1804.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Methyl-4-nitroanilinium chloride","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C56 H72 Cl8 N16 O16 -","8","2","XU5532","Wang, Jian-Long; Zhou, Fu-Rong; Wei, Fei-Yun","<i>N</i>-Methyl-4-nitroanilinium chloride","Acta Crystallographica Section E","2012","68","6","o1973","","10.1107/S1600536812024117","","","0.71073","MoKα","","0.0661","0.0456","","","0.1105","0.1237","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235307","8.3426","0.0017","19.896","0.004","7.067","0.0014","90","","90.14","0.03","90","","1173","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-methylanilinium) naphthalene-1,5-disulfonate","","- C24 H26 N2 O6 S2 -","- C24 H26 N2 O6 S2 -","- C48 H52 N4 O12 S4 -","2","0.5","XU5533","Liu, Ming-Liang; Chen, Zi-Qi","Bis(3-methylanilinium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","6","o1745","","10.1107/S1600536812021290","","","0.71073","MoKα","","0.0865","0.0822","","","0.1881","0.1896","","","","","","1.215","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235308","10.702","0.003","4.5242","0.001","19.357","0.007","90","","96.825","0.002","90","","930.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Hydroxyanilinium 2-chloroacetate","","- C8 H10 Cl N O3 -","- C8 H10 Cl N O3 -","- C32 H40 Cl4 N4 O12 -","4","1","XU5534","Wang, Ying-Chun","4-Hydroxyanilinium 2-chloroacetate","Acta Crystallographica Section E","2012","68","6","o1883","","10.1107/S1600536812021411","","","0.71073","MoKα","","0.0653","0.0475","","","0.0949","0.1037","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235309","8.1342","0.0003","7.8172","0.0003","13.2191","0.0006","90","","90.259","0.004","90","","840.55","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Bis[4-(1<i>H</i>-imidazol-1-yl)benzylidene]hydrazine","","- C20 H16 N6 -","- C20 H16 N6 -","- C40 H32 N12 -","2","0.5","XU5536","Jin, Yue-Bao; Li, Jie; Zhang, Ying; Lei, Ke-Wei","1,2-Bis[4-(1<i>H</i>-imidazol-1-yl)benzylidene]hydrazine","Acta Crystallographica Section E","2012","68","6","o1949","","10.1107/S160053681202291X","","","0.71073","MoKα","","0.0643","0.0473","","","0.1277","0.1427","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235310","6.7401","0.0008","24.09","0.003","19.254","0.002","90","","90","","90","","3126.3","0.6","296","2","296","2","","","","","","","","4","C m c a","-C 2ac 2","64","","3,4,7,8-Tetramethyl-1,10-phenanthrolin-1-ium nitrate monohydrate","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C128 H152 N24 O32 -","8","","XU5537","Zhang, Ke-Jie; Zhang, Yan-Fang","3,4,7,8-Tetramethyl-1,10-phenanthrolin-1-ium nitrate monohydrate","Acta Crystallographica Section E","2012","68","6","o1931","o1932","10.1107/S1600536812023318","","","0.71073","MoKα","","0.0712","0.052","","","0.1342","0.1534","","","","","","1.026","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235311","10.9914","0.0003","15.462","0.0005","16.176","0.0006","74.826","0.001","74.337","0.001","73.299","0.001","2484.29","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Tris(1<i>H</i>-benzimidazol-3-ium-2-ylmethyl)amine tris(2,4,6-trinitrophenolate) acetonitrile disolvate","","- C46 H36 N18 O21 -","- C46 H36 N18 O21 -","- C92 H72 N36 O42 -","2","1","XU5538","Bai, Ying; Yuan, Jing-Kun; Wang, Hua; Pan, Guo-Long; Wu, Hui-Lu","Tris(1<i>H</i>-benzimidazol-3-ium-2-ylmethyl)amine tris(2,4,6-trinitrophenolate) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","6","o1922","","10.1107/S160053681202329X","","","0.71073","MoKα","","0.0512","0.0372","","","0.1097","0.1271","","","","","","1.141","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235312","9.6942","0.0004","10.4394","0.0006","13.21","0.0008","90","","90","","90","","1336.87","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Cyclohexyl-2-oxo-2-phenylacetamide","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","XU5541","Jia, Ze-Jun; Wu, Jin-Long","<i>N</i>-Cyclohexyl-2-oxo-2-phenylacetamide","Acta Crystallographica Section E","2012","68","6","o1948","","10.1107/S1600536812023549","","","0.71073","MoKα","","0.0908","0.0357","","","0.0755","0.0818","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235313","7.072","0.004","22.691","0.013","8.905","0.006","90","","91.703","0.007","90","","1428.4","1.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(Adamantan-1-yl)carbamoyl]pyridinium chloride","","- C16 H21 Cl N2 O -","- C16 H21 Cl N2 O -","- C64 H84 Cl4 N8 O4 -","4","1","XU5543","Wang, Ying-Chun","4-[(Adamantan-1-yl)carbamoyl]pyridinium chloride","Acta Crystallographica Section E","2012","68","6","o1895","","10.1107/S1600536812022866","","","0.71073","MoKα","","0.0558","0.0443","","","0.1235","0.1574","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235314","4.643","0.0004","14.3904","0.0011","14.4976","0.001","90","","90","","90","","968.65","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,4<i>S</i>)-3,4,8-Trihydroxy-1,2,3,4-tetrahydronaphthalen-1-one monohydrate","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","XU5544","Ouchbani, Tarik; Zouihri, Hafid; Essassi, El Mokhtar; Proksch, Peter; Ng, Seik Weng","(3<i>R</i>,4<i>S</i>)-3,4,8-Trihydroxy-1,2,3,4-tetrahydronaphthalen-1-one monohydrate from <i>Embellisia eureka</i>","Acta Crystallographica Section E","2012","68","6","o1874","","10.1107/S1600536812022623","","","0.71073","MoKα","","0.0738","0.0388","","","0.0832","0.0962","","","","","","0.986","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235315","13.0008","0.001","14.39","0.0011","9.3431","0.0007","90","","103.446","0.001","90","","1700","0.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~-quinoline-6-carboxylato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')silver(I)]","","- C10 H6 Ag N O2 -","- C10 H6 Ag N O2 -","- C80 H48 Ag8 N8 O16 -","8","1","XU5546","Yeh, Chun-Wei; Jong, Ay; Tsou, Chi-Hui; Huang, Fu-Chang; Suen, Maw-Cherng","Poly[(μ~3~-quinoline-6-carboxylato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')silver(I)]","Acta Crystallographica Section E","2012","68","6","m850","m851","10.1107/S1600536812023835","","","0.71073","MoKα","","0.0292","0.0272","","","0.0732","0.0751","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235316","19.637","0.005","9.6563","0.0015","7.485","0.002","90","","104.76","0.02","90","","1372.5","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido]","","- C12 H12 Br2 Cd N2 -","- C12 H12 Br2 Cd N2 -","- C48 H48 Br8 Cd4 N8 -","4","0.5","XU5547","Shirvan, Sadif A.; Haydari Dezfuli, Sara","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido]","Acta Crystallographica Section E","2012","68","6","m846","","10.1107/S1600536812023860","","","0.71073","MoKα","","0.0606","0.0411","","","0.0853","0.091","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235317","8.1707","0.0002","9.4386","0.0002","13.5192","0.0004","84.446","0.001","82.546","0.002","78.625","0.001","1010.76","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>- chromene-3-carbonitrile propan-2-one monosolvate","","- C21 H23 Cl N2 O3 -","- C21 H23 Cl N2 O3 -","- C42 H46 Cl2 N4 O6 -","2","1","XU5550","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Albayati, Mustafa R.","2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile propan-2-one monosolvate","Acta Crystallographica Section E","2012","68","6","o1965","o1966","10.1107/S1600536812024142","","","0.71073","MoKα","","0.0677","0.0449","","","0.112","0.1259","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235318","7.1301","0.0014","8.1773","0.0016","9.97","0.002","75.58","0.03","75.1","0.03","80.34","0.03","540.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methyl-1<i>H</i>-imidazol-3-ium) naphthalene-1,5-disulfonate dihydrate","","- C18 H24 N4 O8 S2 -","- C18 H24 N4 O8 S2 -","- C18 H24 N4 O8 S2 -","1","0.5","YK2053","Wang, Yu-feng","Bis(2-methyl-1<i>H</i>-imidazol-3-ium) naphthalene-1,5-disulfonate dihydrate","Acta Crystallographica Section E","2012","68","6","o1619","","10.1107/S1600536812019149","","","0.71073","MoKα","","0.0985","0.0548","","","0.0982","0.1074","","","","","","0.944","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235319","3.6842","0.0006","7.5816","0.0005","12.4511","0.0001","78.258","0.001","85.301","0.001","82.547","0.001","337.08","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Oxalic acid‒pyridine-4-carbonitrile (1/2)","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","1","0.5","YK2054","Zheng, Wen-Ni","Oxalic acid‒pyridine-4-carbonitrile (1/2)","Acta Crystallographica Section E","2012","68","6","o1625","","10.1107/S1600536812019137","","","0.71073","MoKα","","0.0427","0.0358","","","0.096","0.1008","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235320","21.118","0.004","14.985","0.003","6.8491","0.0011","90","","92.147","0.003","90","","2165.9","0.7","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis[hexaamminecobalt(III)] pentachloride nitrate","","- Cl5 Co2 H36 N13 O3 -","- Cl5 Co2 H36 N13 O3 -","- Cl20 Co8 H144 N52 O12 -","4","0.5","YK2056","Wu, Qihui; Du, Chunyu; Lv, Yang; Chen, Guoliang; Pan, Qinhe","Bis[hexaamminecobalt(III)] pentachloride nitrate","Acta Crystallographica Section E","2012","68","6","i45","i46","10.1107/S1600536812021332","","","0.71073","MoKα","","0.0841","0.05","","","0.1223","0.1398","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235321","9.6728","0.0019","17.631","0.004","13.041","0.003","90","","100.13","0.03","90","","2189.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6- dicarboxamide-κ<i>N</i>}bis(methanol- κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C42 H42 Co N12 O6 S2 -","- C42 H42 Co N12 O6 S2 -","- C84 H84 Co2 N24 O12 S4 -","2","0.5","YK2057","Yang, Guang-Rui; Ren, Juan; Li, Guo-Ting","Bis{<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide-κ<i>N</i>}bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","6","m765","","10.1107/S1600536812020326","","","0.71073","MoKα","","0.0625","0.0538","","","0.0971","0.1013","","","","","","1.149","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235322","12.161","0.002","5.9374","0.0003","12.8282","0.0015","90","","108.012","0.019","90","","880.9","0.2","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","1","ZJ2066","Zheng, Juan; Li, Wen-juan; Song, Manman; Xu, Yan","5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2012","68","6","o1668","","10.1107/S1600536812019617","","","0.71073","MoKα","","0.0671","0.0447","","","0.1095","0.1237","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235323","7.6571","0.0003","13.0442","0.0006","9.1755","0.0004","90","","95.41","0.004","90","","912.37","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dioxa-λ^6^-thiatetracyclo[5.3.1.1^5,9^.0^1,5^]dodecane-3,3-dione","","- C9 H12 O4 S -","- C9 H12 O4 S -","- C36 H48 O16 S4 -","4","1","ZJ2070","Ioannou, Savvas; Moushi, Eleni","2,4-Dioxa-λ^6^-thiatetracyclo[5.3.1.1^5,9^.0^1,5^]dodecane-3,3-dione","Acta Crystallographica Section E","2012","68","6","o1719","","10.1107/S160053681202079X","","","0.71073","MoKα","","0.0424","0.0359","","","0.0935","0.0972","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235324","12.5042","0.0003","13.5214","0.0002","12.4538","0.0003","90","","109.667","0.004","90","","1982.79","0.09","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)bis[aqua(dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)nickel(II)] dihydrate","","- C16 H56 N4 Ni2 O32 P8 -","- C16 H56 N4 Ni2 O32 P8 -","- C32 H112 N8 Ni4 O64 P16 -","2","0.5","ZJ2074","Sikorska, Małgorzata; Gazda, Maria; Chojnacki, Jaroslaw","Nickel alendronate","Acta Crystallographica Section E","2012","68","6","m820","m821","10.1107/S1600536812022532","","","0.71073","MoKα","","0.0483","0.0456","","","0.1222","0.1239","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235325","11.8862","0.0018","5.6431","0.0009","15.5","0.002","90","","95.687","0.002","90","","1034.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquanickel(II)]-bis(μ-2-{[5-(pyridin-4-yl)-1,3,4- oxadiazol-2-yl]sulfanyl}acetato)]","","- C18 H16 N6 Ni O8 S2 -","- C18 H16 N6 Ni O8 S2 -","- C36 H32 N12 Ni2 O16 S4 -","2","0.5","ZJ2075","Gao, Ru-Qin; Xia, Chao-Hui; Li, Guo-Ting","<i>catena</i>-Poly[[diaquanickel(II)]-bis(μ-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetato)]","Acta Crystallographica Section E","2012","68","6","m763","m764","10.1107/S1600536812020259","","","0.71073","MoKα","","0.0391","0.0283","","","0.0624","0.0684","","","","","","1.027","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2235326","15.9433","0.0008","14.4097","0.0006","12.531","0.0006","90","","108.774","0.003","90","","2725.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-3,3-bis(4-methylpiperazin-1-yl)-1-[2-(4-methylpiperazin-1- yl)ethyl]indolin-2-one","","- C26 H43 N7 O -","- C26 H43 N7 O -","- C104 H172 N28 O4 -","4","1","ZJ2076","Lin, Hui-Hui; Zheng, Xiao-Lin; Cao, Sheng-Li","5-Methyl-3,3-bis(4-methylpiperazin-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]indolin-2-one","Acta Crystallographica Section E","2012","68","6","o1855","","10.1107/S1600536812022416","","","0.71073","MoKα","","0.0723","0.0465","","","0.1134","0.1289","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235327","13.2432","0.0006","6.1574","0.0002","8.5959","0.0003","90","","98.155","0.002","90","","693.85","0.05","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~7~-3-sulfonato-<i>L</i>-alaninato)sodiumzinc]","","- C6 H10 N2 Na2 O10 S2 Zn -","- C6 H10 N2 Na2 O10 S2 Zn -","- C12 H20 N4 Na4 O20 S4 Zn2 -","2","0.5","ZJ2077","Li, Xiao-lin; Yu, Jing; Liu, Li","Poly[bis(μ~7~-3-sulfonato-<small>L</small>-alaninato)sodiumzinc]","Acta Crystallographica Section E","2012","68","6","m849","","10.1107/S160053681202394X","","","0.71073","MoKα","","0.0273","0.027","","","0.0752","0.0754","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235328","8.4799","0.0019","22.954","0.005","8.5089","0.0019","90","","110.077","0.002","90","","1555.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[2-(2-Hydroxyethoxy)phenethyl]phthalimide","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","ZL2473","Yang, Er-Qun; Zhang, Jun-Tao; Cao, Xiao-Ping; Gu, Jin-Zhong","<i>N</i>-[2-(2-Hydroxyethoxy)phenethyl]phthalimide","Acta Crystallographica Section E","2012","68","6","o1636","","10.1107/S1600536812018429","","","0.71073","MoKα","","0.0934","0.0536","","","0.1212","0.1462","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235329","6.3651","0.0013","11.475","0.002","19.861","0.004","90","","90","","90","","1450.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(Quinolin-8-yl)quinoline-2-carboxamide","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","ZL2476","Li, Yanfeng; Zhou, Hongbo; Shen, Xiaoping","<i>N</i>-(Quinolin-8-yl)quinoline-2-carboxamide","Acta Crystallographica Section E","2012","68","6","o1688","","10.1107/S1600536812020144","","","0.71073","MoKα","","0.0393","0.0351","","","0.0798","0.0824","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235330","7.5791","0.0003","11.0242","0.0005","19.6736","0.0007","90","","90","","90","","1643.8","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Methyl (<i>R</i>)-2-(2-chlorophenyl)-2-(3-nitrophenylsulfonyloxy)acetate","","- C15 H12 Cl N O7 S -","- C15 H12 Cl N O7 S -","- C60 H48 Cl4 N4 O28 S4 -","4","1","ZL2477","Li, Ying-Hua; Xu, Hong-Wu; Zhang, Liu-Xue","Methyl (<i>R</i>)-2-(2-chlorophenyl)-2-(3-nitrophenylsulfonyloxy)acetate","Acta Crystallographica Section E","2012","68","6","o1689","","10.1107/S1600536812020016","","","0.71073","MoKα","","0.0493","0.0389","","","0.0812","0.0863","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235331","9.0425","0.0003","18.518","0.0007","11.1983","0.0004","90","","90.423","0.001","90","","1875.09","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4<i>Z</i>)-4-[(2-Chloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C23 H18 Cl N3 O -","- C23 H18 Cl N3 O -","- C92 H72 Cl4 N12 O4 -","4","1","ZQ2164","Xu, Li-Ying; Li, Ning; Li, Jia-Min; Zhang, Heng-Qiang; Sun, Zhen-Hai","(4<i>Z</i>)-4-[(2-Chloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1843","","10.1107/S1600536812020004","","","0.71073","MoKα","","0.0371","0.0341","","","0.0925","0.0949","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235332","11.2696","0.001","11.7093","0.001","7.6961","0.0007","90","","90.108","0.002","90","","1015.57","0.16","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-(Hydroxyimino)methyl]-<i>N</i>,<i>N</i>-dimethylanilinium chloride","","- C9 H13 Cl N2 O -","- C9 H13 Cl N2 O -","- C36 H52 Cl4 N8 O4 -","4","1","ZQ2166","Devi, T. Uma; Kalpana, G.; Priya, S.; Ravikumar, K.; Selvanayagam, S.","4-[(<i>E</i>)-(Hydroxyimino)methyl]-<i>N</i>,<i>N</i>-dimethylanilinium chloride","Acta Crystallographica Section E","2012","68","6","o1705","","10.1107/S1600536812020211","","","0.71073","MoKα","","0.0325","0.0307","","","0.0911","0.0929","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235333","13.8912","0.0008","12.4572","0.0004","17.8617","0.0011","90","","90","","90","","3090.9","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>rac</i>-2-(2-Chloro-6-methylquinolin-3-yl)-2,3- dihydroquinolin-4(1<i>H</i>)-one","","- C19 H15 Cl N2 O -","- C19 H15 Cl N2 O -","- C152 H120 Cl8 N16 O8 -","8","1","ZS2200","Bouraiou, Abdelmalek; Bouacida, Sofiane; Bertrand, Carboni; Roisnel, Thierry; Belfaitah, Ali","<i>rac</i>-2-(2-Chloro-6-methylquinolin-3-yl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1701","o1702","10.1107/S1600536812020831","","","0.71073","MoKα","","0.1516","0.0619","","","0.1293","0.1688","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235334","16.0949","0.0004","7.7012","0.0002","22.6874","0.0004","90","","90","","90","","2812.1","0.11","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","9-(4-bromobutyl)-9<i>H</i>-carbazole","9-(4-Bromobutyl)-9<i>H</i>-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","ZS2201","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","9-(4-Bromobutyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","6","o1853","","10.1107/S1600536812022398","","","0.71073","MoKα","","0.0732","0.049","","","0.1283","0.1461","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235335","15.3583","0.0005","11.3833","0.0004","22.207","0.0007","90","","90","","90","","3882.4","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9- tetrahydro-1<i>H</i>-xanthen-1-one","","- C23 H26 O4 -","- C23 H26 O4 -","- C184 H208 O32 -","8","1","ZS2203","Kurbanova, Malahat M.; Gurbanov, Atash V.; Mahmudov, Kamran T.; Maharramov, Abel M.; Ng, Seik Weng","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2012","68","6","o1606","","10.1107/S1600536812018934","","","0.71073","MoKα","","0.0823","0.0621","","","0.1731","0.1954","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235336","9.124","0.002","20.18","0.005","7.2767","0.0019","90","","99.479","0.005","90","","1321.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-5-methyl-1,3,4-thiadiazole-κ<i>N</i>^3^)dichloridocobalt(II)","","- C6 H10 Cl2 Co N6 S2 -","- C6 H10 Cl2 Co N6 S2 -","- C24 H40 Cl8 Co4 N24 S8 -","4","1","ZS2204","Song, Ye; Ji, Yu-Fei; Kang, Min-Yan; Liu, Zhi-Liang","Bis(2-amino-5-methyl-1,3,4-thiadiazole-κ<i>N</i>^3^)dichloridocobalt(II)","Acta Crystallographica Section E","2012","68","6","m772","","10.1107/S1600536812020995","","","0.71073","MoKα","","0.083","0.0451","","","0.0971","0.1104","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235337","4.6615","0.0002","10.5375","0.0005","25.2153","0.0015","90","","90","","90","","1238.59","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(4-chlorobenzylidene)-2-hydroxy-5-chloroaniline","4-Chloro-2-[(4-chlorobenzylidene)amino]phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","ZS2205","Efil, Kürşat; Şen, Fatih; Bekdemir, Yunus; Büyükgüngör, Orhan","4-Chloro-2-[(4-chlorobenzylidene)amino]phenol","Acta Crystallographica Section E","2012","68","6","o1696","","10.1107/S1600536812019770","","","0.71073","MoKα","","0.0501","0.0329","","","0.077","0.0822","","","","","","0.931","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235338","13.865","0.002","11.531","0.0018","18.86","0.003","90","","90","","90","","3015.3","0.8","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate","","- C24 H30 N4 Ni O12 S2 -","- C24 H30 N4 Ni O12 S2 -","- C96 H120 N16 Ni4 O48 S8 -","4","1","ZS2208","Li, Chao-Zhu; Huang, Xue-Ren","Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","6","m809","m810","10.1107/S1600536812022179","","","0.71073","MoKα","","0.0368","0.0339","","","0.0966","0.1002","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235339","3.7286","0.0007","9.836","0.002","10.487","0.002","117.35","0.03","97.01","0.03","93.65","0.03","335.92","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolium hydrogen oxalate","1<i>H</i>-Pyrazol-2-ium hydrogen oxalate","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C10 H12 N4 O8 -","2","1","ZS2209","Yu, Chun-Hua; Zhu, Run-Qiang","1<i>H</i>-Pyrazol-2-ium hydrogen oxalate","Acta Crystallographica Section E","2012","68","6","o1911","","10.1107/S1600536812023136","","","0.71073","MoKα","","0.1908","0.0952","","","0.2402","0.2852","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235340","7.2941","0.0006","19.2984","0.0015","12.7491","0.001","90","","92.892","0.002","90","","1792.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>E</i>,4<i>E</i>)-1-(2-Nitrophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1- yl)penta-1,4-dien-3-one","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","ZS2210","Zou, Peng; Jin, Yi-Jun; Xiang, Liu-Fang; Sun, Dong-Ping; Yang, Shu-Lin","(1<i>E</i>,4<i>E</i>)-1-(2-Nitrophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2012","68","6","o1858","","10.1107/S1600536812022453","","","0.71073","MoKα","","0.0744","0.0546","","","0.1319","0.1436","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235341","6.3526","0.0007","15.7199","0.0014","9.8235","0.0009","90","","101.235","0.001","90","","962.2","0.16","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Aqua[1-(pyridin-2-yl)ethanone oximato][1-(pyridin-2-yl)ethanone oxime]copper(II) perchlorate monohydrate","","- C14 H19 Cl Cu N4 O8 -","- C14 H19 Cl Cu N4 O8 -","- C28 H38 Cl2 Cu2 N8 O16 -","2","1","AA2060","Zhong, Baoyun; Li, Shengli; Chen, Guifang","Aqua[1-(pyridin-2-yl)ethanone oximato][1-(2-pyridin-2-yl)ethanone oxime]copper(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","7","m874","","10.1107/S1600536812023872","","","0.71073","MoKα","","0.0423","0.0367","","","0.0918","0.0956","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235342","6.0525","0.0012","11.919","0.002","14.526","0.003","90","","90","","90","","1047.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis(<i>L</i>-lactato)magnesium","","- C6 H14 Mg O8 -","- C6 H14 Mg O8 -","- C24 H56 Mg4 O32 -","4","1","AA2062","Zhu, Hong-lin; Jin, Ling","Diaquabis(<small>L</small>-lactato)magnesium","Acta Crystallographica Section E","2012","68","7","m978","","10.1107/S1600536812028723","","","0.71073","MoKα","","0.0385","0.029","","","0.0613","0.0735","","","","","","1.143","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235343","4.3989","0.0002","6.2553","0.0002","13.8907","0.0008","91.4","0.0008","93.58","0.001","101.967","0.001","372.91","0.03","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","4-Chloroanilinium bromide","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C12 H14 Br2 Cl2 N2 -","2","1","AA2066","Zhao, Min-Min","4-Chloroanilinium bromide","Acta Crystallographica Section E","2012","68","7","o2022","","10.1107/S1600536812024993","","","0.71073","MoKα","","0.0451","0.0411","","","0.1013","0.1026","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235344","17.1756","0.0006","11.1724","0.0004","22.6546","0.0008","90","","90","","90","","4347.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","24-Acetyl-8,11,14-trioxa-24,27- diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa- 2,4,6,15(20),16,18-hexaen-28-one","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C200 H224 N16 O40 -","8","1","AA2068","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.","24-Acetyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaen-28-one","Acta Crystallographica Section E","2012","68","7","o2165","o2166","10.1107/S1600536812027274","","","0.71073","MoKα","","0.0647","0.0415","","","0.0978","0.1059","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235345","17.4583","0.0002","7.4162","0.0001","16.9622","0.0002","90","","116.255","0.002","90","","1969.6","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}- 1<i>H</i>-benzimidazole propan-2-ol monosolvate","","- C19 H22 F3 N3 O2 S -","- C19 H22 F3 N3 O2 S -","- C76 H88 F12 N12 O8 S4 -","4","1","BG2460","Ma, Jin-Ju; Qi, Ming-Hui; Hong, Ming-Huang; Lu, Jie; Ren, Guo-Bin","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}-1<i>H</i>-benzimidazole propan-2-ol monosolvate: a second monoclinic polymorph","Acta Crystallographica Section E","2012","68","7","o2017","","10.1107/S1600536812022143","","","1.54178","CuKα","","0.041","0.0401","","","0.1152","0.1158","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235346","10.2744","0.0004","14.9979","0.0006","15.906","0.0006","90","","127.347","0.002","90","","1948.51","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(1,10-phenanthroline)zinc]- μ-3-[3-(carboxylatomethoxy)phenyl]acrylato]","","- C23 H16 N2 O5 Zn -","- C23 H16 N2 O5 Zn -","- C92 H64 N8 O20 Zn4 -","4","1","BG2464","Chen, Ling","<i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato]","Acta Crystallographica Section E","2012","68","7","m882","","10.1107/S1600536812024610","","","0.71073","MoKα","","","0.0232","","","0.0666","0.0704","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235347","19.612","0.0008","9.2008","0.0003","19.124","0.0009","90","","107.904","0.005","90","","3283.7","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BINAP","<i>rac</i>-2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl","","- C44 H32 P2 -","- C44 H32 P2 -","- C176 H128 P8 -","4","0.5","BG2467","Niu, Feng; Chai, Wenxiang; Song, Li; Zhou, Mengbo; Liang, Jiaping","<i>rac</i>-2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl: a racemic diphosphine ligand","Acta Crystallographica Section E","2012","68","7","o2033","","10.1107/S1600536812025603","","","0.7107","MoKα","","0.0639","0.0415","","","0.09","0.0994","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235348","9.3608","0.001","12.6895","0.0014","14.6765","0.0016","97.007","0.002","93.625","0.002","102.983","0.002","1678.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxymethoxy-7-trifluoromethyl-1,3-benzodioxole-5-carbaldehyde","","- C11 H9 F3 O5 -","- C11 H9 F3 O5 -","- C66 H54 F18 O30 -","6","3","BH2420","Wang, Yanfeng; Pan, Xinhui; Liu, Dexiu; Lou, Hong-Xiang","6-Methoxymethoxy-7-trifluoromethyl-1,3-benzodioxole-5-carbaldehyde","Acta Crystallographica Section E","2012","68","7","o1981","","10.1107/S1600536812022490","","","0.71073","MoKα","","0.0488","0.041","","","0.1142","0.122","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235349","16.3974","0.0016","17.0854","0.0008","21.687","0.003","90","","106.709","0.016","90","","5819.2","1.1","101","","101","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tetrabutylammonium) [2-(ethoxycarbony)phenylimido]-μ~6~-oxido-dodeca-μ~2~-oxido- pentaoxidohexamolybdenum diethyl ether hemisolvate","","- C43 H86 Mo6 N3 O20.5 -","- C43 H86 Mo6 N3 O20.5 -","- C172 H344 Mo24 N12 O82 -","4","1","BH2428","Wang, Manxiang; Tao, Shikai; Guo, Jing; Hao, Jian; Li, Qiang","Bis(tetrabutylammonium) [2-(ethoxycarbony)phenylimido]-μ~6~-oxido-dodeca-μ~2~-oxido-pentaoxidohexamolybdenum diethyl ether hemisolvate","Acta Crystallographica Section E","2012","68","7","m926","m927","10.1107/S1600536812026323","","","0.71073","MoKα","","0.0597","0.0389","","","0.0774","0.0875","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235350","10.7804","0.0008","7.7938","0.0007","23.8862","0.0017","90","","90","","90","","2006.9","0.3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>,1<i>S</i>,10a<i>R</i>)-(-)-Menthyl 1-hydroxy-1,2,3,5,6,7,10,10a-octahydropyrrolo[1,2-<i>a</i>]azocine- 10a-carboxylate","","- C21 H35 N O3 -","- C21 H35 N O3 -","- C84 H140 N4 O12 -","4","1","BH2433","Muroni, Daniele; Napolitano, Emilio; Perez, Olivier; Culeddu, Nicola; Saba, Antonio","(<i>Z</i>,1<i>S</i>,10a<i>R</i>)-({-})-Menthyl 1-hydroxy-1,2,3,5,6,7,10,10a-octahydropyrrolo[1,2-<i>a</i>]azocine-10a-carboxylate","Acta Crystallographica Section E","2012","68","7","o2224","o2225","10.1107/S1600536812027900","","","0.71069","MoKα","","0.0707","0.0407","","","0.0443","0.0474","","","","","","1.23","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235351","22.323","0.006","10.937","0.003","34.13","0.009","90","","90","","90","","8333","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1<i>H</i>-benzimidazole)- κ^3^<i>N</i>^3^,<i>O</i>,<i>N</i>^3'^]bis(2,4,6-trinitrophenolato- κ<i>O</i>^1^)manganese(II)","","- C42 H30 Mn N10 O15 -","- C42 H30 Mn N10 O15 -","- C336 H240 Mn8 N80 O120 -","8","1","BH2434","Li, Congfen; Kou, Fan; Li, Xinghan; Wu, Hao; Wu, Huilu","[1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1<i>H</i>-benzimidazole)-κ^3^<i>N</i>^3^,<i>O</i>,<i>N</i>^3'^]bis(2,4,6-trinitrophenolato-κ<i>O</i>^1^)manganese(II)","Acta Crystallographica Section E","2012","68","7","m923","","10.1107/S1600536812026037","","","0.71073","MoKα","","0.1177","0.0583","","","0.1131","0.1358","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235352","7.3886","0.0015","25.497","0.005","8.8579","0.0018","90","","93.64","0.03","90","","1665.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}- 1<i>H</i>-benzimidazole monohydrate","","- C16 H16 F3 N3 O2 S -","- C16 H16 F3 N3 O2 S -","- C64 H64 F12 N12 O8 S4 -","4","1","BH2435","Chen, Yu-Feng; Chen, Jin-Yao; Hong, Ming-Huang; Lu, Jie; Ren, Guo-Bin","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}-1<i>H</i>-benzimidazole monohydrate: a monoclinic polymorph","Acta Crystallographica Section E","2012","68","7","o2015","o2016","10.1107/S1600536812022131","","","1.54178","CuKα","","0.0527","0.0494","","","0.1446","0.1516","","","","","","1.152","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235353","10.6435","0.0004","15.9508","0.0013","21.1764","0.0008","90","","90","","90","","3595.2","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl (2<i>R</i>,4a<i>R</i>,5a<i>R</i>,11a<i>S</i>,12<i>R</i>, 12a<i>R</i>)-8-[bis(<i>tert</i>-butoxycarbonyl)amino]-12-hydroxy-2- methoxy-2,10-dioxo-4,4a,5a,6,9,10,11,11a,12,12a-decahydro-2<i>H</i>-1,3,5- trioxa-6,7,9,11-tetraaza-2λ^5^-phosphatetracene-6-carboxylate methanol monosolvate monohydrate","","- C27 H46 N5 O15 P -","- C27 H46 N5 O15 P -","- C108 H184 N20 O60 P4 -","4","1","BH2437","Gainsford, Graeme J.; Clinch, Keith; Dixon, Rachel; Tiwari, Ashish","<i>tert</i>-Butyl (2<i>R</i>,4a<i>R</i>,5a<i>R</i>,11a<i>S</i>,12<i>R</i>,12a<i>R</i>)-8-[bis(<i>tert</i>-butoxycarbonyl)amino]-12-hydroxy-2-methoxy-2,10-dioxo-4,4a,5a,6,9,10,11,11a,12,12a-decahydro-2<i>H</i>-1,3,5-trioxa-6,7,9,11-tetraaza-2λ^5^-phosphatetracene-6-carboxylate methanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","7","o2250","o2251","10.1107/S160053681202867X","","","1.54184","CuKα","","0.043","0.0376","","","0.092","0.0955","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235354","6.759","0.005","10.061","0.005","12.263","0.005","109.08","0.005","94.521","0.005","93.098","0.005","782.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenyl)-1-(4-chlorobenzyl)-1<i>H</i>-pyrazole-5-carbaldehyde","","- C17 H12 Br Cl N2 O -","- C17 H12 Br Cl N2 O -","- C34 H24 Br2 Cl2 N4 O2 -","2","1","BH2439","Li, Fu-Rong; Zhang, Yu-Juan; Guo, Feng-Guang; Duan, Gui-Yun; Ge, Yan-Qing","3-(4-Bromophenyl)-1-(4-chlorobenzyl)-1<i>H</i>-pyrazole-5-carbaldehyde","Acta Crystallographica Section E","2012","68","7","o2203","","10.1107/S1600536812027298","","","0.71069","MoKα","","0.0523","0.0363","","","0.0965","0.1037","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235355","12.8455","0.0004","21.5944","0.0007","8.2681","0.0003","90","","93.712","0.002","90","0.002","2288.68","0.13","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline) manganese]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato] monohydrate","","- C23 H22 Mn N2 O8 -","- C23 H20 Mn N2 O8 -","- C92 H80 Mn4 N8 O32 -","4","1","BQ2356","Ji, Jun; Yang, Yuan-Fa; Wen, Yi-Hang","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline)manganese]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato] monohydrate]","Acta Crystallographica Section E","2012","68","7","m912","m913","10.1107/S1600536812023896","","","0.71073","MoKα","","","0.0404","","","0.1061","0.1162","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235356","7.743","0.002","7.199","0.002","31.913","0.01","90","","90","","90","","1778.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-chloroanilinium thiocyanate","4-Chloroanilinium thiocyanate","","- C7 H7 Cl N2 S -","- C7 H7 Cl N2 S -","- C56 H56 Cl8 N16 S8 -","8","1","BQ2362","Yusoff, Siti Fairus M.; Halima, F. Salem; Yamin, Bohari M.","4-Chloroanilinium thiocyanate","Acta Crystallographica Section E","2012","68","7","o1988","","10.1107/S160053681202377X","","","0.71073","MoKα","","0.0446","0.0393","","","0.1049","0.1084","","","","","","1.18","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235357","9.66","0.003","15.039","0.004","16.16","0.005","90","","102.424","0.007","90","","2292.7","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacycylotetradeca-1,7-diene)copper(II)]-μ-chlorido- [dichlorocuprate(II)]-μ-chlorido]","","- C16 H32 Cl4 Cu2 N4 -","- C16 H32 Cl4 Cu2 N4 -","- C64 H128 Cl16 Cu8 N16 -","4","1","BQ2363","Yamin, Bohari M.; Ismail, Wafiuddin; Daran, Jean-Claude","<i>catena</i>-Poly[[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene)copper(II)]-μ-chlorido-[dichlorocuprate(II)]-μ-chlorido]","Acta Crystallographica Section E","2012","68","7","m886","m887","10.1107/S1600536812024932","","","0.71073","MoKα","","0.0861","0.0558","","","0.1465","0.1875","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235358","13.9945","0.0014","5.044","0.0004","27.286","0.002","90","","90","","90","","1926.1","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C72 H88 N24 O24 -","8","2","BQ2364","Tahir, M. Nawaz; Ali, Akbar; Umar, M. Naveed; Hussain, Ishtiaq; Shad, Hazoor Ahmad","(2<i>E</i>)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","7","o2071","","10.1107/S1600536812025299","","","0.71073","MoKα","","0.1381","0.0557","","","0.0902","0.1125","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235359","21.1252","0.0014","3.8763","0.0003","11.7009","0.0008","90","","90","","90","","958.16","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-(4-Chlorophenyl)-2-fluoropyridine","","- C11 H7 Cl F N -","- C11 H7 Cl F N -","- C44 H28 Cl4 F4 N4 -","4","1","BQ2365","Adeel, Muhammad; Elahi, Fazal; Tahir, M. Nawaz; Khan, Azim; Langer, Peter","5-(4-Chlorophenyl)-2-fluoropyridine","Acta Crystallographica Section E","2012","68","7","o2043","","10.1107/S1600536812025378","","","0.71073","MoKα","","0.0481","0.032","","","0.0673","0.0731","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235360","7.1881","0.0006","10.6682","0.001","11.6865","0.0009","92.181","0.004","99.776","0.004","99.606","0.005","868.74","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-{[(<i>E</i>)-2,3-Dihydroxybenzylidene]amino}- <i>N</i>-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","","- C17 H15 N3 O5 S -","- C17 H15 N3 O5 S -","- C34 H30 N6 O10 S2 -","2","1","BQ2368","Tahir, M. Nawaz; Khan, Abdul Haleem; Iqbal, Mohammad S.; Munir, Christy; Aziz, Tariq","4-{[(<i>E</i>)-2,3-Dihydroxybenzylidene]amino}-<i>N</i>-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","7","o2125","","10.1107/S1600536812026657","","","0.71073","MoKα","","0.099","0.0491","","","0.1011","0.1208","","","","","","1","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235361","11.9874","0.0006","5.1197","0.0002","21.5045","0.0009","90","","96.498","0.002","90","","1311.29","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridinium 5-carboxypentanoate monohydrate","","- C11 H18 N2 O5 -","- C11 H18 N2 O5 -","- C44 H72 N8 O20 -","4","1","BT5875","Raj, S. Alfred Cecil; Sinthiya, A.; Varghese, Babu","4-Aminopyridinium 5-carboxypentanoate monohydrate","Acta Crystallographica Section E","2012","68","7","o2181","","10.1107/S1600536812027638","","","0.71073","MoKα","","0.0453","0.0382","","","0.1025","0.1095","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235362","7.405","0.0007","8.4239","0.0008","12.2363","0.001","90.382","0.007","93.974","0.007","110.004","0.008","715.14","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(2-Nitrobenzylidene)-4-phenylthiosemicarbazide","","- C14 H12 N4 O2 S -","- C14 H12 N4 O2 S -","- C28 H24 N8 O4 S2 -","2","1","BT5899","Feizi, Samaneh; Rezayan, Ali Hossein; Sardari, Soroush; Notash, Behrouz","(<i>E</i>)-1-(2-Nitrobenzylidene)-4-phenylthiosemicarbazide","Acta Crystallographica Section E","2012","68","7","o2154","","10.1107/S1600536812026803","","","0.71073","MoKα","","0.0818","0.0532","","","0.116","0.1279","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235363","10.7588","0.0007","7.4761","0.0006","20.1029","0.0013","90","","90.917","0.006","90","","1616.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-methylmalonato- κ^2^<i>O</i>^1^,<i>O</i>^3^)copper(II) dihydrate","","- C14 H18 Cu N2 O7 -","- C14 H18 Cu N2 O7 -","- C56 H72 Cu4 N8 O28 -","4","1","BT5931","Manochitra, P.; Manikandan, N.; Murugavel, S.; Sreeshailam, R.; Sambasiva Rao, P.","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-methylmalonato-κ^2^<i>O</i>^1^,<i>O</i>^3^)copper(II) dihydrate","Acta Crystallographica Section E","2012","68","7","m884","m885","10.1107/S1600536812024889","","","0.71073","MoKα","","0.0746","0.0485","","","0.1046","0.1193","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235364","9.9366","0.0002","15.6564","0.0003","14.8505","0.0003","90","","103.782","0.002","90","","2243.8","0.08","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dichloro-5,8-dimethoxy-1,4-naphthoquinone","","- C12 H8 Cl2 O4 -","- C12 H8 Cl2 O4 -","- C96 H64 Cl16 O32 -","8","1","BT5932","Ukaegbu, Maraizu; Butcher, Ray J.; Enwerem, N. M.; Bakare, Oladapo; Hosten, Charles","2,3-Dichloro-5,8-dimethoxy-1,4-naphthoquinone","Acta Crystallographica Section E","2012","68","7","o2018","","10.1107/S1600536812023926","","","1.54184","CuKα","","0.028","0.0277","","","0.0768","0.0771","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235365","7.9592","0.0008","7.9598","0.0008","13.3712","0.0013","105.062","0.002","101.287","0.002","99.131","0.002","782.3","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-acetylenedicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^2^] monohydrate]","","- C16 H12 N2 O6 Zn -","- C16 H12 N2 O6 Zn -","- C32 H24 N4 O12 Zn2 -","2","1","BT5933","Fettouhi, Mohammed","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-acetylenedicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^2^] monohydrate]","Acta Crystallographica Section E","2012","68","7","m895","","10.1107/S1600536812025068","","","0.71073","MoKα","","0.0465","0.0414","","","0.1081","0.1106","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235366","33.349","0.002","4.9737","0.0004","13.171","0.001","90","","90.66","0.007","90","","2184.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>-Bis(4-chlorophenylsulfonyl)succinamide dihydrate","","- C16 H18 Cl2 N2 O8 S2 -","- C16 H18 Cl2 N2 O8 S2 -","- C64 H72 Cl8 N8 O32 S8 -","4","0.5","BT5934","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>-Bis(4-chlorophenylsulfonyl)succinamide dihydrate","Acta Crystallographica Section E","2012","68","7","o2063","","10.1107/S1600536812024725","","","0.71073","MoKα","","0.0549","0.046","","","0.1133","0.1196","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235367","6.6253","0.0008","7.9634","0.0009","21.545","0.003","88.57","0.01","81.99","0.01","84.25","0.01","1119.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Chloro-3-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C44 H48 Cl4 N4 O12 -","4","2","BT5936","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chloro-3-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","7","o2003","","10.1107/S1600536812024567","","","0.71073","MoKα","","0.14","0.0895","","","0.1373","0.1551","","","","","","1.329","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235368","30.7877","0.0006","9.7608","0.0002","7.4757","0.0002","90","","90","","90","","2246.54","0.09","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Cyclopropylammonium 4-iodobenzoate","","- C10 H12 I N O2 -","- C10 H12 I N O2 -","- C80 H96 I8 N8 O16 -","8","1","BT5937","Lemmerer, Andreas","Cyclopropylammonium 4-iodobenzoate","Acta Crystallographica Section E","2012","68","7","o2096","","10.1107/S160053681202449X","","","0.71073","MoKα","","","0.0229","","","","0.047","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235369","14.5008","0.001","8.6216","0.0004","15.9905","0.0009","90","","114.423","0.007","90","","1820.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[<i>N</i>-(2-hydroxyethyl)- <i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc(II)","","- C16 H20 Cl N3 O S2 Zn -","- C16 H20 Cl N3 O S2 Zn -","- C64 H80 Cl4 N12 O4 S8 Zn4 -","4","1","BT5940","Mohamad, Fatin Allia; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc(II)","Acta Crystallographica Section E","2012","68","7","m958","m959","10.1107/S1600536812027626","","","0.71073","MoKα","","0.0371","0.0306","","","0.0673","0.071","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235370","16.0726","0.0002","8.7982","0.0001","8.0555","0.0001","90","","96.1134","0.0007","90","","1132.65","0.02","92","2","92","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-dimethyl-1,2,9,10-tetrahydropyrano[3,2-<i>f</i>]chromene-3,8-dione","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","0.5","BT5941","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","5,6-Dimethyl-1,2,9,10-tetrahydropyrano[3,2-<i>f</i>]chromene-3,8-dione","Acta Crystallographica Section E","2012","68","7","o2216","","10.1107/S1600536812027699","","","0.71073","MoKα","","0.0631","0.0503","","","0.1403","0.1478","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235371","8.2037","0.0004","9.5319","0.0004","13.839","0.0007","77.743","0.002","87.307","0.003","80.672","0.002","1043.43","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>- chromene-3-carbonitrile propan-2-one monosolvate","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C44 H52 N4 O8 -","2","1","BT5943","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Allahverdiyev, M. A.","2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile propan-2-one monosolvate","Acta Crystallographica Section E","2012","68","7","o2206","o2207","10.1107/S160053681202781X","","","0.71073","MoKα","","0.0902","0.0592","","","0.1597","0.1816","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235372","8.4958","0.0003","8.7197","0.0003","10.052","0.0003","101.93","0.001","95.179","0.002","90.314","0.002","725.38","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-3-(2-Chlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H12 Cl N O S -","- C16 H12 Cl N O S -","- C32 H24 Cl2 N2 O2 S2 -","2","1","BT5944","Sabari, V.; Selvakumar, R.; Bakthadoss, M.; Aravindhan, S.","(<i>Z</i>)-3-(2-Chlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2283","","10.1107/S1600536812029030","","","0.71073","MoKα","","0.0544","0.0443","","","0.1189","0.1286","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235373","26.337","0.009","28.349","0.01","4.99","0.002","90","","90","","90","","3726","2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","5,5'-Methylenebis(2-isopropoxybenzaldehyde)","2,2'-Diisopropoxy-5,5'-methylenedibenzaldehyde","","- C21 H24 O4 -","- C21 H24 O4 -","- C168 H192 O32 -","8","0.5","BT5945","Suresh, G.; Sabari, V.; Devaraj, A.; Bakthadoss, M.; Aravindhan, S.","2,2'-Diisopropoxy-5,5'-methylenedibenzaldehyde","Acta Crystallographica Section E","2012","68","7","o2199","","10.1107/S1600536812028048","","","0.71073","MoKα","","0.0476","0.0395","","","0.1061","0.1135","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235374","9.9099","0.0002","11.7327","0.0002","12.4079","0.0004","101.131","0.002","106.039","0.002","114.817","0.001","1176.86","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>,2'<i>E</i>)-Dimethyl 2,2'-[(phenylazanediyl)bis(methylene)]bis(3-phenylacrylate)","","- C28 H27 N O4 -","- C28 H27 N O4 -","- C56 H54 N2 O8 -","2","1","BT5946","Sabari, V.; Selvakumar, R.; Bakthadoss, M.; Aravindhan, S.","(2<i>E</i>,2'<i>E</i>)-Dimethyl 2,2'-[(phenylazanediyl)bis(methylene)]bis(3-phenylacrylate)","Acta Crystallographica Section E","2012","68","7","o2265","","10.1107/S1600536812029042","","","0.71073","MoKα","","0.0802","0.0469","","","0.11","0.1267","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235375","17.0433","0.0003","9.3216","0.0002","13.6038","0.0002","90","","97.313","0.002","90","","2143.67","0.07","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)propane-1,3- diamine-κ^2^<i>N</i>,<i>N</i>']dibromidozinc","","- C17 H14 Br2 Cl4 N2 Zn -","- C17 H14 Br2 Cl4 N2 Zn -","- C68 H56 Br8 Cl16 N8 Zn4 -","4","1","BT5947","Khalaji, Aliakbar Dehno; Grivani, Gholamhossein; Seyyedi, Mohammad; Fejfarová, Karla; Dušek, Michal","[<i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>']dibromidozinc","Acta Crystallographica Section E","2012","68","7","m971","","10.1107/S1600536812027997","","","0.7107","MoKα","","0.0371","0.0233","","0.0534","0.0494","0.0534","","","1.32","","","1.32","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235376","6.8289","0.0004","14.7444","0.0008","26.7258","0.0014","90","","93.757","0.005","90","","2685.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-[(<i>E</i>)-4-Methoxybenzylidene]-1,2,3,4-tetrahydronaphthalen-1-one","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","BT5948","Asiri, Abdullah M.; Faidallah, Hassan M.; Zayed, Mohie E. M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(<i>E</i>)-4-Methoxybenzylidene]-1,2,3,4-tetrahydronaphthalen-1-one","Acta Crystallographica Section E","2012","68","7","o2190","","10.1107/S160053681202805X","","","0.71073","MoKα","","0.1046","0.0552","","","0.144","0.1867","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235377","22.7768","0.0008","7.3978","0.0001","22.2118","0.0007","90","","109.642","0.004","90","","3524.87","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Acetylanilino)-1-ferrocenylpropan-1-one","","- C21 H21 Fe N O2 -","- C21 H21 Fe N O2 -","- C168 H168 Fe8 N8 O16 -","8","2","BT5949","Novaković, Sladjana B.; Stevanović, Dragana; Divjaković, Vladimir; Bogdanović, Goran A.; Vukićević, Rastko D.","3-(3-Acetylanilino)-1-ferrocenylpropan-1-one","Acta Crystallographica Section E","2012","68","7","m979","m980","10.1107/S1600536812028796","","","0.71073","MoKα","","0.0825","0.0572","","","0.1026","0.1115","","","","","","1.125","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235378","12.1343","0.0004","17.801","0.0007","7.5464","0.0002","90","","92.946","0.003","90","","1627.89","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Ferrocenyl-3-(2-methylanilino)propan-1-one","","- C20 H21 Fe N O -","- C20 H21 Fe N O -","- C80 H84 Fe4 N4 O4 -","4","1","BT5950","Leka, Zorica; Novaković, Sladjana B.; Pejović, Anka; Bogdanović, Goran A.; Vukićević, Rastko D.","1-Ferrocenyl-3-(2-methylanilino)propan-1-one","Acta Crystallographica Section E","2012","68","7","m995","m996","10.1107/S1600536812028802","","","0.71073","MoKα","","0.0581","0.0392","","","0.0859","0.0966","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235379","7.307","0.004","8.559","0.004","25.674","0.009","90","","90","","90","","1605.7","1.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(-)-2-(1<i>H</i>-Indol-3-yl)-<i>N</i>-(1-phenylethyl)acetamide","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","BT5951","Ramírez, Johana; Romero, Oscar; Juárez, Jorge R.; Terán, Joel L.; Mendoza, Angel","(<i>S</i>)-({-})-2-(1<i>H</i>-Indol-3-yl)-<i>N</i>-(1-phenylethyl)acetamide","Acta Crystallographica Section E","2012","68","7","o2252","","10.1107/S1600536812028450","","","0.71073","MoKα","","0.1315","0.065","","","","0.1613","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235380","9.2754","0.0005","11.9983","0.0009","18.4996","0.0013","90","","92.772","0.006","90","","2056.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Nitro-<i>N</i>-[(<i>E</i>)-thiophen-2-ylmethylidene]aniline","","- C11 H8 N2 O2 S -","- C11 H8 N2 O2 S -","- C88 H64 N16 O16 S8 -","8","1","BT5953","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitro-<i>N</i>-[(<i>E</i>)-thiophen-2-ylmethylidene]aniline","Acta Crystallographica Section E","2012","68","7","o2288","","10.1107/S1600536812028346","","","0.71073","MoKα","","0.0582","0.0401","","","0.0971","0.1109","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235381","13.0411","0.0009","15.897","0.001","10.9417","0.0009","90","","112.306","0.009","90","","2098.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1<i>Z</i>)-4,4,4-trifluoro-3-oxo- 1-phenylbut-1-en-1-yl]amino}ethyl)amino]but-3-en-2-one","","- C22 H18 F6 N2 O2 -","- C22 H18 F6 N2 O2 -","- C88 H72 F24 N8 O8 -","4","1","BT5954","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","(3<i>Z</i>)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1<i>Z</i>)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-yl]amino}ethyl)amino]but-3-en-2-one","Acta Crystallographica Section E","2012","68","7","o2289","o2290","10.1107/S1600536812028875","","","0.71073","MoKα","","0.0999","0.0597","","","0.1319","0.165","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235382","11.4453","0.0004","18.768","0.0007","20.5765","0.0007","90","","95.9","0.001","90","","4396.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{1-[2-(diphenylphosphanyl)ethyl]-3-ethylimidazol-2-ylidene}nickel(II) diiodide acetonitrile disolvate","","- C42 H48 I2 N6 Ni P2 -","- C42 H48 I2 N6 Ni P2 -","- C168 H192 I8 N24 Ni4 P8 -","4","1","BT5955","Ahmida, Aziza; Withake, Domenica; Flörke, Ulrich; Egold, Hans; Henkel, Gerald","Bis{1-[2-(diphenylphosphanyl)ethyl]-3-ethylimidazol-2-ylidene}nickel(II) diiodide acetonitrile disolvate","Acta Crystallographica Section E","2012","68","7","m975","","10.1107/S1600536812028784","","","0.71073","MoKα","","0.0296","0.0246","","","0.0602","0.0627","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235383","10.4425","0.0006","11.2544","0.0006","11.7035","0.0006","106.635","0.005","104.289","0.005","113.558","0.005","1101.14","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4<i>E</i>)-<i>N</i>-[(2-Bromophenyl)methoxy]-1,3-dimethyl-2,6- diphenylpiperidin-4-imine","","- C26 H27 Br N2 O -","- C26 H27 Br N2 O -","- C52 H54 Br2 N4 O2 -","2","1","BT5957","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","(4<i>E</i>)-<i>N</i>-[(2-Bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine","Acta Crystallographica Section E","2012","68","7","o2267","","10.1107/S1600536812028887","","","0.71073","MoKα","","0.063","0.0465","","","0.1012","0.1089","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235384","20.3043","0.0008","6.8811","0.0003","32.2244","0.0012","90","","98.478","0.004","90","","4453.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4<i>E</i>)-<i>N</i>-[(2-Chlorophenyl)methoxy]-1,3-dimethyl-2,6- diphenylpiperidin-4-imine","","- C26 H27 Cl N2 O -","- C26 H27 Cl N2 O -","- C208 H216 Cl8 N16 O8 -","8","1","BT5958","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","(4<i>E</i>)-<i>N</i>-[(2-Chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine","Acta Crystallographica Section E","2012","68","7","o2268","","10.1107/S1600536812028899","","","0.71073","MoKα","","0.0668","0.045","","","0.1036","0.1176","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235385","10.174","0.002","15.086","0.004","11.714","0.003","90","","113.596","0.003","90","","1647.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isatin","1-Benzyl-3-[(4-methylphenyl)imino]indolin-2-one","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","BX2411","Ikotun, Adebomi A.; Adelani, Pius O.; Egharevba, Gabriel O.","1-Benzyl-3-[(4-methylphenyl)imino]indolin-2-one","Acta Crystallographica Section E","2012","68","7","o2098","","10.1107/S1600536812024506","","","0.71073","MoKα","","0.0727","0.0417","","","0.0955","0.1047","","","","","","0.923","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235386","7.5728","0.0002","10.2268","0.0002","11.2858","0.0002","63.357","0.001","84.021","0.001","71.194","0.001","738.68","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-2-[(2-Chlorophenyl)(4-chlorophenyl)methyl]-1,3-dioxolane","","- C16 H14 Cl2 O2 -","- C16 H14 Cl2 O2 -","- C32 H28 Cl4 O4 -","2","1","BX2412","Maluf, Daniela F.; dos Santos, Sailer S.; Gatto, Claudia C.; Oliveira, Brás H. de","<i>rac</i>-2-[(2-Chlorophenyl)(4-chlorophenyl)methyl]-1,3-dioxolane","Acta Crystallographica Section E","2012","68","7","o2008","o2009","10.1107/S1600536812023781","","","0.71073","MoKα","","0.0509","0.0402","","","0.1093","0.1173","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235387","15.5855","0.0005","13.0261","0.0004","21.4979","0.0006","90","","109.068","0.001","90","","4125","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(1,1-dicyano-2-ethoxy-2-oxoethanide)","","- C48 H34 Fe N10 O4 -","- C48 H34 Fe N10 O4 -","- C192 H136 Fe4 N40 O16 -","4","1","BX2413","Cai, Zhan-Mao; Zhan, Shu-Zhong","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(1,1-dicyano-2-ethoxy-2-oxoethanide)","Acta Crystallographica Section E","2012","68","7","m956","","10.1107/S1600536812026967","","","0.71073","MoKα","","0.1124","0.0546","","","0.1277","0.1558","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235388","12.8272","0.0019","9.2273","0.001","8.4114","0.0013","90","","93.809","0.002","90","","993.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloroanilinium 2-carboxyacetate","","- C9 H10 Cl N O4 -","- C9 H10 Cl N O4 -","- C36 H40 Cl4 N4 O16 -","4","1","BX2414","Zhao, Min-Min","4-Chloroanilinium 2-carboxyacetate","Acta Crystallographica Section E","2012","68","7","o2079","","10.1107/S1600536812025469","","","0.71073","MoKα","","0.0403","0.0339","","","0.0842","0.0877","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235389","5.7443","0.0008","21.558","0.003","9.0075","0.0011","90","","95.074","0.006","90","","1111.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,2'-((1E,1'E)-(((2S,3S)-1,4-dioxaspiro[4.5]decane-2,3-diylbis(methylene)) bis(azanylylidene))bis(methanylylidene))diphenol","2-[(<i>E</i>)-({3-[(<i>E</i>)-(2-Hydroxybenzylidene)aminomethyl]- 1,4-dioxaspiro[4.5]decan-2-yl}methyl)iminomethyl]phenol","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","BX2417","Jiang, Yan; Wang, Lili; Bian, Jing; Du, Xiaoying; Sun, Xiaoqiang","2-[(<i>E</i>)-({3-[(<i>E</i>)-(2-Hydroxybenzylidene)aminomethyl]-1,4-dioxaspiro[4.5]decan-2-yl}methyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","7","o2296","","10.1107/S1600536812029182","","","0.71073","MoKα","","0.0795","0.0566","","","0.152","0.1687","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235390","9.8047","0.0016","12.865","0.002","10.7623","0.0017","90","","100.113","0.002","90","","1336.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-[(2-Hydroxyethyl)amino]-7<i>H</i>-dibenzo[<i>de</i>,<i>h</i>]quinolin-7-one","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","CV5299","Tang, Huang; Wang, Zhi-Yu; Liu, Yan-Cheng","6-[(2-Hydroxyethyl)amino]-7<i>H</i>-dibenzo[<i>de</i>,<i>h</i>]quinolin-7-one","Acta Crystallographica Section E","2012","68","7","o2004","","10.1107/S1600536812024440","","","0.71073","MoKα","","0.0496","0.041","","","0.1167","0.1238","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235391","7.4529","0.0015","7.7925","0.0016","11.489","0.002","84.42","0.03","84.29","0.03","70.3","0.03","623.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Benzene-1,2-dicarboxylic acid‒pyridinium-2-olate (1/1)","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C26 H22 N2 O10 -","2","1","CV5304","Yu, Chua-Hua","Benzene-1,2-dicarboxylic acid‒pyridinium-2-olate (1/1)","Acta Crystallographica Section E","2012","68","7","o1989","","10.1107/S1600536812023914","","","0.71073","MoKα","","0.0977","0.0544","","","0.1414","0.1736","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235392","10.635","0.003","10.888","0.003","11.31","0.003","96.838","0.001","109.213","0.001","116.017","0.003","1056.5","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","3-Diethylcarbamoyl-2',4'-difluorobiphenyl-4-yl 2,6-dichloro-5-fluoropyridine-3-carboxylate","","- C23 H17 Cl2 F3 N2 O3 -","- C23 H17 Cl2 F3 N2 O3 -","- C46 H34 Cl4 F6 N4 O6 -","2","1","CV5305","Xia, Chun-nian; Zhou, Yu; Chen, You-bao; Zhong, Guang-xiang","3-Diethylcarbamoyl-2',4'-difluorobiphenyl-4-yl 2,6-dichloro-5-fluoropyridine-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2047","","10.1107/S1600536812025354","","","0.71073","MoKα","","0.0444","0.0342","","","0.0773","0.0816","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235393","7.8516","0.0013","8.1466","0.0013","21.158","0.003","86.668","0.002","85.806","0.002","79.772","0.002","1326.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-(3-Fluorobenzylidene)-2-methylbenzohydrazide","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C60 H52 F4 N8 O4 -","4","2","CV5308","Song, Ying; Zhao, Jian-Long; Wang, Jan-Gang; Lu, Fei; Lu, Hong; Li, Shi-Peng","<i>N</i>'-(3-Fluorobenzylidene)-2-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","7","o2074","","10.1107/S1600536812025548","","","0.71073","MoKα","","0.049","0.0413","","","0.1176","0.1259","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235394","8.0835","0.0004","12.2153","0.0005","14.471","0.0006","90","","101.208","0.001","90","","1401.65","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(pyridin-2-yl) selenide-κ^2^<i>N</i>,<i>N</i>']tetrachloridotin(IV)","","- C10 H8 Cl4 N2 Se Sn -","- C10 H8 Cl4 N2 Se Sn -","- C40 H32 Cl16 N8 Se4 Sn4 -","4","1","CV5309","Mammadova, Gunay Z.; Matsulevich, Zhanna V.; Osmanov, Vladimir K.; Borisov, Alexander V.; Khrustalev, Victor N.","[Bis(pyridin-2-yl) selenide-κ^2^<i>N</i>,<i>N</i>']tetrachloridotin(IV)","Acta Crystallographica Section E","2012","68","7","m983","","10.1107/S160053681202586X","","","0.71073","MoKα","","0.0285","0.0252","","","0.0553","0.0578","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235395","11.063","0.002","10.153","0.002","22.159","0.004","90","","98.73","0.03","90","","2460.1","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- yl)iminomethyl]-2-methoxyphenyl 4-chlorobenzenesulfonate","","- C25 H22 Cl N3 O5 S -","- C25 H22 Cl N3 O5 S -","- C100 H88 Cl4 N12 O20 S4 -","4","1","CV5310","Lei, Tian-Xiang","(<i>E</i>)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)iminomethyl]-2-methoxyphenyl 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2110","","10.1107/S160053681202627X","","","0.71073","MoKα","","0.0794","0.0562","","","0.1372","0.1539","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235396","11.108","0.002","14.998","0.003","8.0839","0.0016","90","","104.94","0.03","90","","1301.2","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Chlorophenoxy)-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde oxime","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","CV5311","Zhang, Hai-Jun; Fan, Chong-Guang; Shi, Lei","5-(2-Chlorophenoxy)-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde oxime","Acta Crystallographica Section E","2012","68","7","o2129","","10.1107/S1600536812026530","","","0.71073","MoKα","","0.0932","0.0608","","","0.1409","0.1587","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235397","5.639","0.005","7.958","0.005","12.149","0.005","73.284","0.005","86.896","0.005","88.36","0.005","521.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenazin-5-ium bromide","","- C12 H9 Br N2 -","- C12 H9 Br N2 -","- C24 H18 Br2 N4 -","2","1","CV5312","Zhang, Gong-Xiao; Li, Ping; Dong, Jian; Chen, Hong-Yu","Phenazin-5-ium bromide","Acta Crystallographica Section E","2012","68","7","o2204","","10.1107/S1600536812027869","","","0.71069","MoKα","","0.0435","0.0375","","","0.1012","0.1048","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235398","11.936","0.002","7.3343","0.0015","13.516","0.003","90","","96.43","0.03","90","","1175.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[triaqua(μ~3~-pyridine-2,4,6-tricarboxylato)terbium(III)] monohydrate]","","- C8 H10 N O10 Tb -","- C8 H10 N O10 Tb -","- C32 H40 N4 O40 Tb4 -","4","1","CV5315","Zhu, Hong-lin","Poly[[triaqua(μ~3~-pyridine-2,4,6-tricarboxylato)terbium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","7","m1017","","10.1107/S1600536812028929","","","0.71073","MoKα","","0.0297","0.0284","","","0.0662","0.0669","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235399","9.448","0.0011","23.959","0.003","12.3083","0.0013","90","","110.029","0.002","90","","2617.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ-4,4'-(dimethylsilanediyl)dibenzoato][μ-1,1'-(1,4- phenylene)di-1<i>H</i>-imidazole]zinc] monohydrate]","","- C28 H26 N4 O5 Si Zn -","- C28 H26 N4 O5 Si Zn -","- C112 H104 N16 O20 Si4 Zn4 -","4","1","DS2187","Huang, Guohui; Bei, Yiling","Poly[[[μ-3,3'-(dimethylsilanediyl)dibenzoato][μ-1,1'-(1,4-phenylene)di-1<i>H</i>-imidazole]zinc] monohydrate]","Acta Crystallographica Section E","2012","68","7","m865","m866","10.1107/S1600536812019642","","","0.71073","MoKα","","0.0976","0.0526","","","0.1286","0.1525","","","","","","1.021","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235400","6.307","0.004","12.801","0.007","22.49","0.012","90","","90","","90","","1815.8","1.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Diphenyl-2-[(1-phenylethyl)amino]ethanol","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","DS2194","Hou, Qing-Gao; Zhao, Chang-Qiu","1,2-Diphenyl-2-[(1-phenylethyl)amino]ethanol","Acta Crystallographica Section E","2012","68","7","o2220","","10.1107/S1600536812027420","","","0.71073","MoKα","","0.0966","0.0586","","","0.1437","0.1601","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235401","6.4192","0.0001","9.9185","0.0002","11.7755","0.0002","100.681","0.001","92.113","0.001","104.168","0.001","711.67","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-5-chloro-2-methyl-1-benzofuran","","- C15 H10 Br Cl O2 S -","- C15 H10 Br Cl O2 S -","- C30 H20 Br2 Cl2 O4 S2 -","2","1","DS2198","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-5-chloro-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","7","o2080","","10.1107/S1600536812025846","","","0.71073","MoKα","","0.0338","0.0305","","","0.0794","0.081","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235402","8.1254","0.0002","11.0602","0.0002","32.4813","0.001","90","","90","","90","","2919.05","0.13","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[(3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-2,3-Diphenylisoxazolidine-4,5- diyl]dimethanol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","EZ2294","Guner, Selahaddin; Şeftalicioglu, Kubra","[(3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-2,3-Diphenylisoxazolidine-4,5-diyl]dimethanol","Acta Crystallographica Section E","2012","68","7","o2061","","10.1107/S1600536812025032","","","0.71073","MoKα","","0.0885","0.0558","","","0.0985","0.108","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235403","7.3335","0.0013","20.155","0.004","10.445","0.0018","90","","103.325","0.003","90","","1502.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Poly[[hexa-μ-aqua-diaquabis(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)magnesium(II)disodium] dihydrate]","","- C20 H28 Mg Na2 O26 -","- C20 H28 Mg Na2 O26 -","- C40 H56 Mg2 Na4 O52 -","2","0.25","EZ2296","Zhao, Dan; Liang, Peng; Li, Yan-Feng; Qiu, Sen; Ren, Jun-Ran","Poly[[hexa-μ-aqua-diaquabis(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)magnesiumdisodium] dihydrate]","Acta Crystallographica Section E","2012","68","7","m902","","10.1107/S1600536812024634","","","0.71073","MoKα","","0.0342","0.0297","","","0.0867","0.0893","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235404","10.428","0.013","8.651","0.01","18.4","0.02","90","","91.956","0.016","90","","1659","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(dimethylammonium) 3,3'-dicarboxy-5,5'-(5,7,12,14-tetraoxo-6,13- diazatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadeca-1,3,8,10,15-pentaene- 6,13-diyl)dibenzoate dihydrate","","- C34 H32 N4 O14 -","- C34 H32 N4 O14 -","- C68 H64 N8 O28 -","2","0.5","FB2246","Xu, Lan-Ping; Qin, Lan; Han, Lei","Bis(dimethylammonium) 3,3'-dicarboxy-5,5'-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadeca-1,3,8,10,15-pentaene-6,13-diyl)dibenzoate dihydrate","Acta Crystallographica Section E","2012","68","7","o2174","o2175","10.1107/S1600536812025470","","","0.71073","MoKα","","0.1223","0.0806","","","0.2226","0.2657","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235405","8.62","0.0005","9.7068","0.0009","13.768","0.0013","79.089","0.008","76","0.006","87.939","0.006","1097.52","0.16","118","2","118","2","","","","","","","","5","P -1","-P 1","2","","7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6- fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","","- C25 H24 F N3 O5 -","- C25 H24 F N3 O5 -","- C50 H48 F2 N6 O10 -","2","1","FB2250","Wang, Shuo; Shan, Guangzhi; Guo, Huiyuan; Liu, Mingliang","7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o2264","","10.1107/S1600536812028711","","","1.5418","CuKα","","0.0389","0.0356","","","0.0958","0.0993","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235406","7.848","0.0004","13.716","0.0006","14.4601","0.0007","90","","113.924","0.003","90","","1422.8","0.12","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N'</i>}copper(II))","","- C28 H28 Cl4 Cu2 N4 -","- C28 H28 Cl4 Cu2 N4 -","- C56 H56 Cl8 Cu4 N8 -","2","0.5","FB2253","Khalaj, Mehdi; Dehghanpour, Saeed; Mahmoudi, Ali; Khalaj, Arash; Lough, Alan J.","A second monoclinic polymorph of di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}copper(II))","Acta Crystallographica Section E","2012","68","7","m920","m921","10.1107/S1600536812026347","","","0.71073","MoKα","","0.068","0.0398","","","0.0892","0.102","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235407","11.6417","0.0009","17.198","0.002","12.774","0.001","90","","115.06","0.01","90","","2316.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole- 2(3<i>H</i>)-thione","","- C24 H32 N4 O S -","- C24 H32 N4 O S -","- C96 H128 N16 O4 S4 -","4","1","FF2070","El-Emam, Ali A.; El-Brollosy, Nasser R.; Attia, Mohamed I.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","7","o2172","o2173","10.1107/S1600536812027249","","","1.5418","CuKα","","0.1482","0.0709","","","0.1664","0.2188","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235408","12.7663","0.0008","10.9011","0.0007","21.2791","0.0013","90","","104.523","0.003","90","","2866.7","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cyclohexylammonium acetate‒<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide (1/1)","","- C26 H53 N4 O3 P -","- C26 H53 N4 O3 P -","- C104 H212 N16 O12 P4 -","4","1","FF2071","Pourayoubi, Mehrdad; Keikha, Mojtaba; Rheingold, Arnold L.; Golen, James A.","Cyclohexylammonium acetate‒<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide (1/1)","Acta Crystallographica Section E","2012","68","7","o2266","","10.1107/S1600536812028589","","","0.71073","MoKα","","0.0599","0.0437","","","0.108","0.1189","","","","","","0.965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235409","16.797","0.005","10.197","0.003","17.664","0.005","90","","94.934","0.005","90","","3014.3","1.5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(6-Hydroxyhexa-2,4-diyn-1-yl)-10<i>H</i>-phenothiazine 5-oxide","","- C18 H13 N O2 S -","- C18 H13 N O2 S -","- C144 H104 N8 O16 S8 -","8","2","FF2072","Tabata, Hideyuki; Okuno, Tsunehisa","10-(6-Hydroxyhexa-2,4-diyn-1-yl)-10<i>H</i>-phenothiazine 5-oxide","Acta Crystallographica Section E","2012","68","7","o2214","","10.1107/S1600536812027511","","","0.71075","MoKα","","","0.05","","","","0.1348","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235410","5.0974","0.0002","16.2774","0.0007","12.5674","0.0006","90","","94.771","0.004","90","","1039.13","0.08","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Isocyanophenyl)succinamic acid","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","FJ2512","Burnham, Lauren E.; Gano, Katrina J.; Young, Amber M.; Risley, John M.; Jones, Daniel S.","<i>N</i>-(4-Isocyanophenyl)succinamic acid","Acta Crystallographica Section E","2012","68","7","o2078","","10.1107/S1600536812025226","","","1.54182","CuKα","","0.0478","0.0376","","","","0.0961","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235411","8.7292","0.0008","37.428","0.003","10.1806","0.0009","90","","90","","90","","3326.2","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.25-hydrate","","- C136 H218 N8 O9 -","- C34 H54.5 N2 O2.25 -","- C136 H218 N8 O9 -","4","0.5","FJ2558","Zhang, Manman; Li, Li; Yuan, Fugen; Qian, Hui","4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.25-hydrate","Acta Crystallographica Section E","2012","68","7","o2123","","10.1107/S1600536812026505","","","0.71073","MoKα","","0.0525","0.0461","","","0.1246","0.1302","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235412","6.9081","0.0005","8.0577","0.0005","17.189","0.0011","90","","101.183","0.003","90","","938.63","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-5-(hydroxymethyl)quinolin-1-ium chloride","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C40 H40 Cl4 N4 O8 -","4","1","FJ2562","Fathi, Majda; Fouham, Youssef; Arbib, El Hassan; Lakhrissi, Brahim; Saadi, Mohamed; El Ammari, Lahcen","8-Hydroxy-5-(hydroxymethyl)quinolin-1-ium chloride","Acta Crystallographica Section E","2012","68","7","o1979","o1980","10.1107/S1600536812024233","","","0.71073","MoKα","","0.0505","0.0385","","","0.1153","0.1243","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235413","12.5289","0.0006","10.4157","0.0005","11.0085","0.0005","90","","107.906","0.001","90","","1366.99","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1437 MT_1-6 Ph2CCH2-tz","1-(2,2-Diphenylethyl)-1<i>H</i>-tetrazole","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","FJ2563","Tafili-Kryeziu, Myrvete; Mereiter, Kurt; Linert, Wolfgang; Werner, Franz","1-(2,2-Diphenylethyl)-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2012","68","7","o2231","","10.1107/S1600536812027675","","","0.71073","MoKα","","0.0607","0.0503","","","0.1371","0.1478","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235414","8.7653","0.0002","16.4434","0.0003","13.8895","0.0003","90","","91.715","0.001","90","","2001.02","0.07","446","2","446","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dibromo-1,3-dimethoxy-5-methylbenzene","","- C9 H10 Br2 O2 -","- C9 H10 Br2 O2 -","- C72 H80 Br16 O16 -","8","2","FJ2564","Pawar, Sunayna; Shaikh, Mahidansha; Koorbanally, Neil; Omondi, Bernard; Ramjugernath, Deresh","2,4-Dibromo-1,3-dimethoxy-5-methylbenzene","Acta Crystallographica Section E","2012","68","7","o2062","","10.1107/S1600536812025767","","","0.71073","MoKα","","0.0325","0.0266","","","0.072","0.0763","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235415","13.8388","0.0006","9.1771","0.0004","16.4365","0.0008","90","","90","","90","","2087.44","0.16","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κ<i>N</i>^1^)(η^5^- pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","","- C18 H27 B F4 Fe N4 O2 -","- C18 H27 B F4 Fe N4 O2 -","- C72 H108 B4 F16 Fe4 N16 O8 -","4","0.5","FJ2565","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Fernandes, Manuel A.","Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κ<i>N</i>^1^)(η^5^-pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","7","m931","","10.1107/S1600536812026360","","","0.71073","MoKα","","0.0451","0.0334","","","0.0897","0.094","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235416","12.9385","0.0004","6.7123","0.0002","13.2959","0.0004","90","","138.664","0.002","90","","762.66","0.05","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","Dicarbonyl(η^5^-cyclopentadienyl)(2,3-dibromopropanamine- κ<i>N</i>)iron(II) tetrafluoridoborate","","- C10 H12 B Br2 F4 Fe N O2 -","- C10 H12 B Br2 F4 Fe N O2 -","- C20 H24 B2 Br4 F8 Fe2 N2 O4 -","2","1","FJ2567","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Fernandes, Manuel A.","Dicarbonyl(η^5^-cyclopentadienyl)(2,3-dibromopropanamine-κ<i>N</i>)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","7","m932","","10.1107/S1600536812025925","","","0.71073","MoKα","","0.03","0.0274","","","0.0721","0.0755","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235417","6.7599","0.0006","8.0885","0.0008","9.7168","0.0009","90.35","0.003","106.731","0.003","99.486","0.003","501.03","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-[4-(1<i>H</i>-imidazol-1-yl)phenyl]ethanone monohydrate","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","FJ2569","Ibrahim, Halliru; Bala, Muhammad D.; Omondi, Bernard","1-[4-(1<i>H</i>-imidazol-1-yl)phenyl]ethanone monohydrate","Acta Crystallographica Section E","2012","68","7","o2305","","10.1107/S1600536812029157","","","0.71073","MoKα","","0.0384","0.0355","","","0.0947","0.0982","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235418","6.3822","0.0013","14.142","0.003","17.47","0.004","90","","90","","90","","1576.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2- hydroxybenzohydrazide monohydrate","","- C15 H15 Br N2 O5 -","- C15 H15 Br N2 O5 -","- C60 H60 Br4 N8 O20 -","4","1","FK2062","Zhao, Shunsheng; Li, Lanlan; Liu, Xiangrong; Feng, Weixu; Lü, Xingqiang","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2-hydroxybenzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2040","","10.1107/S1600536812024816","","","0.71073","MoKα","","0.1038","0.0446","","","0.0902","0.1309","","","","","","0.903","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235419","9.6314","0.0005","7.7548","0.0003","18.0763","0.0008","90","","95.572","0.002","90","","1343.73","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Acetylsalicylsalicylic acid","2-[(2-Acetoxybenzoyl)oxy]benzoic acid","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","FY2058","Solanko, Katarzyna A.; Bond, Andrew D.","2-[(2-Acetoxybenzoyl)oxy]benzoic acid","Acta Crystallographica Section E","2012","68","7","o2108","","10.1107/S1600536812026475","","","0.71073","MoKα","","0.0469","0.0328","","","0.0738","0.0804","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235420","22.0329","0.0017","11.8675","0.0008","18.4861","0.0014","90","","107.946","0.004","90","","4598.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-Dimethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5- dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate","","- C24 H29 N O7 -","- C24 H29 N O7 -","- C192 H232 N8 O56 -","8","1","FY2059","Inglebert, S. Antony; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.","<i>rac</i>-Dimethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate","Acta Crystallographica Section E","2012","68","7","o2177","","10.1107/S1600536812027596","","","0.71073","MoKα","","0.0597","0.0439","","","0.1166","0.1299","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235421","7.3132","0.0008","9.9385","0.001","10.9902","0.001","72.102","0.011","74.966","0.012","70.74","0.011","706.4","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Dibromido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetic acid-κ<i>O</i>]mercury(II)","","- C12 H11 Br2 Hg N O3 -","- C12 H11 Br2 Hg N O3 -","- C24 H22 Br4 Hg2 N2 O6 -","2","1","GG2082","Song, Rui-Feng; Zhu, Xue-Hua; Wang, Yu-Hong","Dibromido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetic acid-κ<i>O</i>]mercury(II)","Acta Crystallographica Section E","2012","68","7","m968","","10.1107/S1600536812028085","","","0.71075","MoKα","","0.045","0.0383","","","0.0731","0.0742","","","","","","0.802","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235422","14.6418","0.0003","7.8407","0.0001","20.0645","0.0004","90","","90","","90","","2303.44","0.07","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromopyridine-2-carbaldehyde phenylhydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C96 H80 Br8 N24 -","8","1","GG2083","Moreno-Fuquen, Rodolfo; Chaur, Manuel N.; Romero, Elkin L.; Zuluaga, Fabio; Ellena, Javier","6-Bromopyridine-2-carbaldehyde phenylhydrazone","Acta Crystallographica Section E","2012","68","7","o2131","","10.1107/S1600536812026517","","","0.71073","MoKα","","0.0486","0.0386","","","0.1023","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235423","17.4255","0.0003","15.0965","0.0003","11.5354","0.0002","90","","103.008","0.001","90","","2956.68","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3',6'-Bis(diethylamino)-2-(4-oxopent-2-en-2- ylamino)spiro[isoindoline-1,9'-xanthen]-3-one","","- C33 H38 N4 O3 -","- C33 H38 N4 O3 -","- C132 H152 N16 O12 -","4","1","GG2084","Guo, Chang-Bin; He, Ri-Cai; Li, Ai-Min","(<i>Z</i>)-3',6'-Bis(diethylamino)-2-(4-oxopent-2-en-2-ylamino)spiro[isoindoline-1,9'-xanthen]-3-one","Acta Crystallographica Section E","2012","68","7","o2205","","10.1107/S1600536812027602","","","0.71073","MoKα","","0.0978","0.0546","","","0.1416","0.1647","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235424","24.7989","0.001","3.9976","0.0002","11.3163","0.0005","90","","90","","90","","1121.85","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2<i>E</i>)-2-(Thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","GG2087","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-(Thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one","Acta Crystallographica Section E","2012","68","7","o2298","","10.1107/S1600536812029169","","","0.71073","MoKα","","0.0398","0.0369","","","0.0935","0.0967","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235425","11.6919","0.0005","10.5844","0.0004","27.323","0.0011","90","","101.226","0.001","90","","3316.6","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Cholesteryl p-ethoxycinnamate","Cholest-5-en-3β-yl 3-(4-ethoxyphenyl)prop-2-enoate","","- C38 H56 O3 -","- C38 H56 O3 -","- C152 H224 O12 -","4","2","GK2477","Bugenhagen, Bernhard; Munk, Ariane; Vill, Volkmar; Al-Jasem, Yosef; Thiemann, Thies","Cholest-5-en-3β-yl 3-(4-ethoxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2012","68","7","o2064","","10.1107/S160053681202452X","","","0.71073","MoKα","","0.0463","0.0406","","","0.1042","0.1084","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235426","11.8299","0.0005","6.9788","0.0003","12.1306","0.0004","90","","112.765","0.002","90","","923.47","0.06","293","2","293","2","98.6","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Diphenyl-8-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C23 H14 F3 N3 -","- C23 H14 F3 N3 -","- C46 H28 F6 N6 -","2","1","GK2493","Szlachcic, Paweł; Stadnicka, Katarzyna","1,3-Diphenyl-8-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","Acta Crystallographica Section E","2012","68","7","o2287","","10.1107/S1600536812028206","","","0.71073","MoKα","","0.0611","0.0442","","0.1037","","0.1037","","","1.051","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235427","6.2217","0.0005","8.3795","0.0006","23.4692","0.0017","90","","90","","90","","1223.56","0.16","103","","103","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 1-aminonaphtho[2,1-<i>b</i>]furan-2-carboxylate","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","GK2494","Madan, K. S.; Shruthi, E.; Sagar, A. M.; Abdoh, M. M. M; Vaidya, V. P.; Lokanath, N. K.","Ethyl 1-aminonaphtho[2,1-<i>b</i>]furan-2-carboxylate","Acta Crystallographica Section E","2012","68","7","o2114","","10.1107/S1600536812025342","","","0.71073","MoKα","","0.055","0.0445","","","0.1096","0.1167","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235428","12.2996","0.0003","5.4298","0.0001","17.6872","0.0004","90","","103.982","0.002","90","","1146.23","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[2,5-Bis(hexyloxy)-1,4-phenylene]dithiophene","","- C26 H34 O2 S2 -","- C26 H34 O2 S2 -","- C52 H68 O4 S4 -","2","0.5","GK2496","Teh, Chin Hoong; Mat Salleh, Muhammad; Mohamed Tahir, Mohamed Ibrahim; Daik, Rusli; Kassim, Mohammad B.","2,2'-[2,5-Bis(hexyloxy)-1,4-phenylene]dithiophene","Acta Crystallographica Section E","2012","68","7","o1976","","10.1107/S160053681202404X","","","1.54178","CuKα","","0.043","0.0398","","","0.1093","0.1133","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235429","8.137","0.008","8.629","0.008","8.761","0.008","84.878","0.01","65.347","0.008","72.571","0.01","533","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis[5-(pyridin-3-yl)tetrazolido-κ<i>N</i>^5^]manganese(II) tetrahydrate","","- C12 H24 Mn N10 O8 -","- C12 H24 Mn N10 O8 -","- C12 H24 Mn N10 O8 -","1","0.5","GK2497","Qi, Chen; He, Xiang; Shao, Min; Li, Ming-Xing","Tetraaquabis[5-(pyridin-3-yl)tetrazolido-κ<i>N</i>^5^]manganese(II) tetrahydrate","Acta Crystallographica Section E","2012","68","7","m890","","10.1107/S160053681202510X","","","0.71073","MoKα","","0.034","0.0316","","","0.0777","0.0796","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235430","3.8957","0.0002","10.7053","0.0005","11.1421","0.0006","99.167","0.004","95.951","0.004","98.699","0.004","449.56","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(4-Fluorophenyl)(1<i>H</i>-pyrrol-2-yl)methanone","","- C11 H8 F N O -","- C11 H8 F N O -","- C22 H16 F2 N2 O2 -","2","1","GK2499","Prakash, V.; Kapoor, Kamini; Shet Prakash, M.; Gupta, Vivek K.; Kant, Rajni","(4-Fluorophenyl)(1<i>H</i>-pyrrol-2-yl)methanone","Acta Crystallographica Section E","2012","68","7","o2073","","10.1107/S1600536812025871","","","0.71073","MoKα","","0.0499","0.0379","","","0.0901","0.0978","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235431","5.8144","0.0004","11.9677","0.0008","14.1019","0.001","85.803","0.006","80.497","0.006","80.434","0.005","953.3","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,4-Dimethoxy-<i>N</i>-((<i>E</i>)-4-{[1-(prop-2-en-1-yl)-1<i>H</i>-1,2,3- triazol-4-yl]methoxy}benzylidene)aniline","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C42 H44 N8 O6 -","2","1","GK2500","Akkurt, Mehmet; Jarrahpour, Aliasghar; Sharghi, Hashem; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan","3,4-Dimethoxy-<i>N</i>-((<i>E</i>)-4-{[1-(prop-2-en-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}benzylidene)aniline","Acta Crystallographica Section E","2012","68","7","o2127","","10.1107/S1600536812026761","","","0.71073","MoKα","","0.062","0.0406","","","0.0992","0.107","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235432","7.18","0.0004","11.0562","0.0007","27.3932","0.0016","90","","95.138","0.004","90","","2165.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-1-phenyl-4-[(<i>Z</i>)-phenyl(4-acetamidoanilino)methylidene]- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C25 H22 N4 O2 -","- C25 H22 N4 O2 -","- C100 H88 N16 O8 -","4","1","GK2501","Zhi, Li-Hua; Wang, Yuan","3-Methyl-1-phenyl-4-[(<i>Z</i>)-phenyl(4-acetamidoanilino)methylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2132","","10.1107/S1600536812026840","","","0.71073","MoKα","","0.0956","0.0526","","","0.1466","0.1693","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235433","3.8889","0.0003","11.1006","0.0011","12.0542","0.0011","101.526","0.005","94.93","0.004","92.057","0.005","507.24","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(2,3-Dichlorophenyl)-2-fluoropyridine","","- C11 H6 Cl2 F N -","- C11 H6 Cl2 F N -","- C22 H12 Cl4 F2 N2 -","2","1","GK2505","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz","5-(2,3-Dichlorophenyl)-2-fluoropyridine","Acta Crystallographica Section E","2012","68","7","o2180","","10.1107/S1600536812027833","","","0.71073","MoKα","","0.033","0.0275","","","0.0705","0.0745","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235434","20.1842","0.0018","5.738","0.0005","15.5771","0.0014","90","","108.357","0.001","90","","1712.3","0.3","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>c</i>-5-Hydroxy-<i>r</i>-2,<i>c</i>-4-bis(methoxycarbonyl)- <i>t</i>-5-methyl-<i>t</i>-3-(3-nitrophenyl)cyclohexanone","","- C17 H19 N O8 -","- C17 H19 N O8 -","- C68 H76 N4 O32 -","4","1","GO2056","Rizwana Begum, S.; Hema, R.; Pandiarajan, K.; Balasubramanian, Sridhar; Anitha, A.G.","<i>c</i>-5-Hydroxy-<i>r</i>-2,<i>c</i>-4-bis(methoxycarbonyl)-<i>t</i>-5-methyl-<i>t</i>-3-(3-nitrophenyl)cyclohexanone","Acta Crystallographica Section E","2012","68","7","o2213","","10.1107/S1600536812027377","","","0.71073","MoKα","","0.0448","0.0437","","","0.1115","0.1124","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235435","9.601","0.0019","10.386","0.002","14.625","0.003","77.44","0.03","78.43","0.03","73.92","0.03","1352.4","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","6,7,15,16-Tetrahydro-5,14-dibutylbenzo[1,2-<i>c</i>:4,5-<i>c</i>']diacridine","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","1","GO2057","Lu, Xin-hua; Hu, Jin","6,7,15,16-Tetrahydro-5,14-dibutylbenzo[1,2-<i>c</i>:4,5-<i>c</i>']diacridine","Acta Crystallographica Section E","2012","68","7","o2093","","10.1107/S1600536812025962","","","0.71073","MoKα","","0.1172","0.0583","","","0.1211","0.1472","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235436","9.125","0.0018","12.979","0.003","13.549","0.003","90","","103.85","0.03","90","","1558","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diimidazolium phthalate monohydrate","","- C14 H16 N4 O5 -","- C14 H16 N4 O5 -","- C56 H64 N16 O20 -","4","1","GO2058","Yu, Chua-Hua","Diimidazolium phthalate monohydrate","Acta Crystallographica Section E","2012","68","7","o2295","","10.1107/S1600536812028619","","","0.71073","MoKα","","0.0753","0.058","","","0.1306","0.1405","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235437","8.682","0.005","10.299","0.004","17.903","0.005","90","","90","","90","","1600.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-Methyl 2-[(1,3-dioxoisoindolin-2-yl)methyl]-3-phenylacrylate","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","GO2060","Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(<i>E</i>)-Methyl 2-[(1,3-dioxoisoindolin-2-yl)methyl]-3-phenylacrylate","Acta Crystallographica Section E","2012","68","7","o2219","","10.1107/S1600536812028140","","","0.71073","MoKα","","0.0594","0.0394","","","0.094","0.1047","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235438","24.488","0.007","6.645","0.002","13.108","0.004","90","","97.16","0.02","90","","2116.3","1.1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(<i>Z</i>)-4-Chloro-<i>N</i>-(1-{2-[3-(4- chlorobenzoyl)ureido]ethyl}imidazolidin-2-ylidene)benzamide","","- C20 H19 Cl2 N5 O2 S -","- C20 H19 Cl2 N5 O2 S -","- C80 H76 Cl8 N20 O8 S4 -","4","1","GO2061","Adan, Dalina; Sapari, Suhaila; Halim, Siti Nadiah; Yamin, Bohari M.","(<i>Z</i>)-4-Chloro-<i>N</i>-(1-{2-[3-(4-chlorobenzoyl)ureido]ethyl}imidazolidin-2-ylidene)benzamide","Acta Crystallographica Section E","2012","68","7","o2226","","10.1107/S1600536812028218","","","0.71073","MoKα","","0.068","0.0399","","","0.0788","0.09","","","","","","0.933","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235439","5.33","0.0007","8.6935","0.0012","9.9166","0.0013","109.875","0.002","92.154","0.002","101.481","0.002","420.71","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Bis[(methylthio)carbonyl]disulfane","Bis[(methylsulfanyl)carbonyl]disulfane","","- C4 H6 O2 S4 -","- C4 H6 O2 S4 -","- C8 H12 O4 S8 -","2","1","GW2119","Ford, David K.; Young Jr, Victor G.; Barany, George","Bis[(methylsulfanyl)carbonyl]disulfane","Acta Crystallographica Section E","2012","68","7","o2102","","10.1107/S1600536812024750","","","0.71073","MoKα","","0.0228","0.0206","","","0.0533","0.0543","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235440","8.303","0.0017","8.426","0.0017","16.17","0.003","91.1","0.03","95.8","0.03","102.3","0.03","1098.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-{(<i>Z</i>)-1-[3-(4-Bromophenoxy)propoxy]-1-(2,4-difluorophenyl)prop-1-en- 2-yl}-1<i>H</i>-1,2,4-triazol-4-ium nitrate","","- C20 H19 Br F2 N4 O5 -","- C20 H19 Br F2 N4 O5 -","- C40 H38 Br2 F4 N8 O10 -","2","1","HB6699","Shen, Fei; Guo, Song; Luan, Yuan-yuan; Wang, Kai; Hu, Yong-hong","1-{(<i>Z</i>)-1-[3-(4-Bromophenoxy)propoxy]-1-(2,4-difluorophenyl)prop-1-en-2-yl}-1<i>H</i>-1,2,4-triazol-4-ium nitrate","Acta Crystallographica Section E","2012","68","7","o2010","","10.1107/S1600536812024154","","","0.71073","MoKα","","0.123","0.0632","","","0.1295","0.1515","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235441","10.4755","0.0002","15.8283","0.0003","8.265","0.0002","90","","106.982","0.002","90","","1310.66","0.05","100","0.1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-<i>N</i>'-[(<i>E</i>)-1-(2-oxo-2<i>H</i>-chromen- 3-yl)ethylidene]acetohydrazide","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","1","HB6757","Yusufzai, Samina Khan; Osman, Hasnah; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","2-Cyano-<i>N</i>'-[(<i>E</i>)-1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2005","","10.1107/S1600536812019915","","","0.71073","MoKα","","0.0953","0.0569","","","0.1041","0.1201","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235442","14.0633","0.0002","10.0488","0.0001","8.6668","0.0001","90","","100.072","0.0007","90","","1205.91","0.03","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bicyclo[2.2.1]hept-2-en-7-yl 4-bromobenzoate","","- C14 H13 Br O2 -","- C14 H13 Br O2 -","- C56 H52 Br4 O8 -","4","1","HB6776","Lloyd, Barry A.; Arif, Atta M.","Bicyclo[2.2.1]hept-2-en-7-yl 4-bromobenzoate","Acta Crystallographica Section E","2012","68","7","o2209","","10.1107/S1600536812027882","","","0.71073","MoKα","","0.0245","0.0211","","","0.0494","0.0508","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235443","13.9899","0.0006","8.7579","0.001","13.9084","0.0006","90","","99.657","0.009","90","","1679.9","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-chloro-<i>N</i>-methyl-5-phenyl-2,3-dihydro-1<i>H</i>- 1,4-benzodiazepin-2-iminium 4-oxide hydrogen sulfate","","- C16 H16 Cl N3 O5 S -","- C16 H16 Cl N3 O5 S -","- C64 H64 Cl4 N12 O20 S4 -","4","1","HB6784","Diesen, Veronica; Lousada, Cláudio; Fischer, Andreas","A hydrogen sulfate salt of chlordiazepoxide","Acta Crystallographica Section E","2012","68","7","o2091","o2092","10.1107/S1600536812024920","","","0.71073","MoKα","","0.0673","0.0373","","","0.0777","0.0876","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235444","15.3906","0.0006","15.704","0.0007","15.9129","0.0007","89.568","0.003","74.825","0.004","62.98","0.004","3278.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-[(4-Chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-[3- (trifluoromethyl)anilino]pyrimidine-5-carbonitrile","","- C23 H20 Cl F3 N4 S -","- C23 H20 Cl F3 N4 S -","- C138 H120 Cl6 F18 N24 S6 -","6","3","HB6786","El-Emam, Ali A.; Al-Deeb, Omar A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(4-Chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","7","o2059","o2060","10.1107/S1600536812025895","","","1.54184","CuKα","","0.0912","0.064","","","0.1681","0.1898","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235445","8.856","0.0002","13.8093","0.0004","23.696","0.0007","90","","96.702","0.001","90","","2878.1","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(benzil bis{[(pyridin-2-yl)methylidene]hydrazone}- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')mercury(II)]-μ-chlorido- [dichloridomercury(II)]-μ-chlorido]","","- C26 H20 Cl4 Hg2 N6 -","- C26 H20 Cl4 Hg2 N6 -","- C104 H80 Cl16 Hg8 N24 -","4","1","HB6787","Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Hosseini-Yazdi, Seyed Abolfazl; Mahmoudi, Ghodrat","<i>catena</i>-Poly[[(benzil bis{[(pyridin-2-yl)methylidene]hydrazone}-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')mercury(II)]-μ-chlorido-[dichloridomercury(II)]-μ-chlorido]","Acta Crystallographica Section E","2012","68","7","m903","m904","10.1107/S1600536812025718","","","0.71073","MoKα","","0.0477","0.026","","","0.0442","0.0489","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235446","9.4452","0.0003","13.9413","0.0005","9.37059","0.00018","90","","102.145","0.002","90","","1206.29","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid","","- C12 H13 Cl O4 -","- C12 H13 Cl O4 -","- C48 H52 Cl4 O16 -","4","1","HB6799","Jia, Guo-Kai; Yuan, Lin; Zhang, Min; Yuan, Xian-You","2-(2-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o2037","","10.1107/S1600536812025019","","","1.54184","CuKα","","0.0371","0.0329","","","0.0804","0.084","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235447","11.2911","0.0001","15.4317","0.0002","15.192","0.0002","90","","92.79","0.001","90","","2643.93","0.05","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","11-[(<i>E</i>)-Benzylidene]-14-hydroxy-8-phenyl-6-thia-3,13- diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa- 1(22),15(23),16,18,20-pentaen-10-one","","- C34 H28 N2 O2 S -","- C34 H28 N2 O2 S -","- C136 H112 N8 O8 S4 -","4","1","HB6800","Kumar, Raju Suresh; Osman, Hasnah; Almansour, Abdulrahman I.; Arshad, Suhana; Razak, Ibrahim Abdul","11-[(<i>E</i>)-Benzylidene]-14-hydroxy-8-phenyl-6-thia-3,13-diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa-1(22),15(23),16,18,20-pentaen-10-one","Acta Crystallographica Section E","2012","68","7","o2013","o2014","10.1107/S1600536812024270","","","0.71073","MoKα","","0.056","0.0464","","","0.1211","0.1288","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235448","10.9941","0.0003","11.7602","0.0003","24.01","0.0005","90","","98.9169","0.0012","90","","3066.8","0.13","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Tetraaquabis(thiourea-κ<i>S</i>)cadmium(II) triaquatris(thiourea-κ<i>S</i>)cadmium(II) disulfate","","- C5 H34 Cd2 N10 O15 S7 -","- C5 H34 Cd2 N10 O15 S7 -","- C20 H136 Cd8 N40 O60 S28 -","4","2","HB6807","Parvez, Masood; Jalilehvand, Farideh; Amini, Zahra","Tetraaquabis(thiourea-κ<i>S</i>)cadmium(II) triaquatris(thiourea-κ<i>S</i>)cadmium(II) disulfate","Acta Crystallographica Section E","2012","68","7","m949","m950","10.1107/S1600536812026682","","","0.71073","MoKα","","0.0565","0.0469","","","0.091","0.0992","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235449","9.6931","0.0005","24.5636","0.0012","11.7095","0.0006","90","","103.745","0.001","90","","2708.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-[({[(6-chloropyridin-3-yl)methyl](methyl)amino}(4- fluoroanilino)methylidene)amino]-3-phenyl-2-sulfanylidene- 2,3-dihydro-1,3-thiazole-5-carboxylate","","- C26 H23 Cl F N5 O2 S2 -","- C26 H23 Cl F N5 O2 S2 -","- C104 H92 Cl4 F4 N20 O8 S8 -","4","1","HB6808","He, Hai-Feng; He, Hong-Wu; Liang, Ying; Yang, Zi-Wen","Ethyl 4-[({[(6-chloropyridin-3-yl)methyl](methyl)amino}(4-fluoroanilino)methylidene)amino]-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate","Acta Crystallographica Section E","2012","68","7","o2281","","10.1107/S1600536812026311","","","0.71073","MoKα","","0.0893","0.0612","","","0.1587","0.1717","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235450","10.033","0.004","16.597","0.002","8.007","0.003","90","","105.07","0.02","90","","1287.5","0.7","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-azoniapentane-1,5-diaminium) cyclohexaphosphate dihydrate","","- C8 H36 N6 O20 P6 -","- C8 H36 N6 O20 P6 -","- C16 H72 N12 O40 P12 -","2","0.5","HB6809","Khedhiri, Lamia; Akriche, Samah; Al-Deyab, Salem S.; Rzaigui, Mohamed","Bis(3-azoniapentane-1,5-diaminium) cyclohexaphosphate dihydrate: a monoclinic polymorph","Acta Crystallographica Section E","2012","68","7","o2038","o2039","10.1107/S1600536812025172","","","0.56087","AgKα","","0.0457","0.0341","","","0.0933","0.0991","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235451","9.1139","0.0003","17.4562","0.0006","12.9246","0.0004","90","","118.64","0.002","90","","1804.64","0.11","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-(4-Chlorophenyl)-2-(2-phenylcyclohex-2-en-1- ylimino)thiazolidin-4-one","","- C21 H19 Cl N2 O S -","- C21 H19 Cl N2 O S -","- C84 H76 Cl4 N8 O4 S4 -","4","1","HB6814","Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram","(<i>Z</i>)-3-(4-Chlorophenyl)-2-(2-phenylcyclohex-2-en-1-ylimino)thiazolidin-4-one","Acta Crystallographica Section E","2012","68","7","o1999","o2000","10.1107/S1600536812024294","","","0.71073","MoKα","","0.0356","0.0299","","","0.0785","0.083","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235452","7.0651","0.0004","9.3943","0.0005","10.5943","0.0006","81.433","0.001","76.343","0.001","71.697","0.001","646.58","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis[<i>N</i>-(pyridin-4-yl)isonicotinamide- κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C24 H22 Co N8 O4 S2 -","- C24 H22 Co N8 O4 S2 -","- C24 H22 Co N8 O4 S2 -","1","0.5","HB6817","Uebler, Jacob W.; LaDuca, Robert L.","Diaquabis[<i>N</i>-(pyridin-4-yl)isonicotinamide-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","7","m867","","10.1107/S1600536812024105","","","0.71073","MoKα","","0.0324","0.0305","","","0.0769","0.0786","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235453","10.406","0.003","17.299","0.005","15.858","0.004","90","","103.719","0.005","90","","2773.2","1.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[(2-Bromobenzylidene)amino]-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazole- 5(4<i>H</i>)-thione","","- C14 H10 Br N5 S -","- C14 H10 Br N5 S -","- C112 H80 Br8 N40 S8 -","8","1","HB6820","Gao, Wei; Li, Xian; Wang, Xin-Ling; Yang, Jing; Wu, Xue-Fen","4-[(2-Bromobenzylidene)amino]-3-(pyridin-4-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","7","o1996","","10.1107/S1600536812024439","","","0.71073","MoKα","","0.0386","0.0297","","","0.0839","0.0868","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235454","9.2514","0.0006","5.19","0.0003","20.5873","0.0013","90","","95.07","0.002","90","","984.63","0.11","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(4-Methylphenyl)sulfonyl]acetamide","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C36 H44 N4 O12 S4 -","4","1","HB6824","Fun, Hoong-Kun; Chia, Tze Shyang; Hegde, Poornima; Jyothi, K.; D'Souza, Pramila Rita","<i>N</i>-[(4-Methylphenyl)sulfonyl]acetamide","Acta Crystallographica Section E","2012","68","7","o2025","","10.1107/S1600536812024658","","","0.71073","MoKα","","0.0422","0.0315","","","0.0799","0.0863","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235455","29.5126","0.0011","6.8703","0.0003","28.2167","0.0013","90","","102.986","0.003","90","","5574.9","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ethoxy-6-{(<i>E</i>)-[(4-methylphenyl)imino]methyl}phenol","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C256 H272 N16 O32 -","16","2","HB6825","Shaheen, Muhammad Ashraf; Tahir, M. Nawaz; Irfan, Rana Muhammad; Iqbal, Shahid; Ahmad, Saeed","2-Ethoxy-6-{(<i>E</i>)-[(4-methylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","7","o2011","","10.1107/S1600536812024798","","","0.71073","MoKα","","0.1749","0.0635","","","0.1302","0.1807","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235456","9.4573","0.0001","16.6662","0.0003","13.8812","0.0002","90","","122.665","0.001","90","","1841.88","0.05","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-(4-Bromophenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3- thiazolidin-4-one","","- C21 H19 Br N2 O S -","- C21 H19 Br N2 O S -","- C84 H76 Br4 N8 O4 S4 -","4","1","HB6826","Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram","(<i>Z</i>)-3-(4-Bromophenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","7","o1994","","10.1107/S1600536812024646","","","0.71073","MoKα","","0.0352","0.0271","","","0.0667","0.0694","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235457","6.121","0.0012","18.134","0.004","7.0006","0.0014","90","","90.22","0.03","90","","777","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Piperazine-1,4-diium (<i>R</i>)-2-[4-(1-carboxylatomethoxy)phenoxy]propanoate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C30 H44 N4 O12 -","2","1","HB6827","Ye, Han-Tao; Ren, Chang-Yue; Gao, Jin-Sheng","Piperazine-1,4-diium (<i>R</i>)-2-[4-(1-carboxylatomethoxy)phenoxy]propanoate","Acta Crystallographica Section E","2012","68","7","o2159","","10.1107/S1600536812027213","","","0.71073","MoKα","","0.033","0.0289","","","0.0727","0.0743","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235458","17.2712","0.0003","7.7141","0.0001","21.3157","0.0004","90","","95.245","0.002","90","","2828.04","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Adamantan-1-yl)-4-[(<i>E</i>)-(2,6-difluorobenzylidene)amino]-1-[(4- phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C30 H34 F2 N6 S -","- C30 H34 F2 N6 S -","- C120 H136 F8 N24 S4 -","4","1","HB6828","El-Emam, Ali A.; Al-Abdullah, Ebtehal S.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-[(<i>E</i>)-(2,6-difluorobenzylidene)amino]-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","7","o2031","","10.1107/S1600536812025135","","","1.54184","CuKα","","0.0649","0.0533","","","0.1479","0.1607","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235459","13.796","0.002","8.412","0.002","24.004","0.003","90","","90","","90","","2785.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","HB6829","Shen, Tong; Li, Guoli; Zheng, Bin","<i>N</i>'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","7","o2034","","10.1107/S1600536812025688","","","0.71073","MoKα","","0.1545","0.0676","","","0.1257","0.1586","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235460","15.4597","0.0016","12.7864","0.0012","20.312","0.002","90","","90","","90","","4015.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one dihydrate","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C144 H208 N16 O64 -","16","2","HB6830","Zong, Qian-Shou; Wu, Jian-Yi","7-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one dihydrate","Acta Crystallographica Section E","2012","68","7","o2036","","10.1107/S1600536812025263","","","0.7107","MoKα","","0.1018","0.0837","","","0.1672","0.1751","","","","","","1.3","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235461","18.6703","0.0005","7.6203","0.0002","13.3756","0.0003","90","","98.006","0.003","90","","1884.44","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","HB6831","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate","Acta Crystallographica Section E","2012","68","7","o2052","o2053","10.1107/S1600536812025147","","","1.54184","CuKα","","0.0437","0.0399","","","0.1045","0.1077","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235462","15.63","0.005","10.003","0.004","22.122","0.005","90","","110.657","0.005","90","","3236.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1<i>H</i>-Benzimidazol-2-yl)-<i>N</i>-[(<i>E</i>)- (dimethylamino)methylidene]benzenesulfonamide","","- C16 H16 N4 O2 S -","- C16 H16 N4 O2 S -","- C128 H128 N32 O16 S8 -","8","2","HB6832","Ashraf, Adnan; Tahir, M. Nawaz; Siddiqui, Waseeq Ahmad; Perveen, Nadia","2-(1<i>H</i>-Benzimidazol-2-yl)-<i>N</i>-[(<i>E</i>)-(dimethylamino)methylidene]benzenesulfonamide","Acta Crystallographica Section E","2012","68","7","o2069","","10.1107/S1600536812025159","","","0.71073","MoKα","","0.1303","0.0592","","","0.1274","0.1589","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235463","20.365","0.002","3.8303","0.0003","11.4835","0.0014","90","","90","","90","","895.76","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Fluoro-5-(4-fluorophenyl)pyridine","","- C11 H7 F2 N -","- C11 H7 F2 N -","- C44 H28 F8 N4 -","4","1","HB6833","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz; Langer, Peter; Ahmad, Saeed","2-Fluoro-5-(4-fluorophenyl)pyridine","Acta Crystallographica Section E","2012","68","7","o2070","","10.1107/S1600536812025160","","","0.71073","MoKα","","0.0468","0.0299","","","0.0641","0.0724","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235464","9.7252","0.0005","13.9535","0.0006","14.0829","0.0008","118.019","0.005","104.24","0.005","90.089","0.004","1619.84","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqua[3-(pyridin-4-yl)benzoato- κ^2^<i>O</i>,<i>O</i>']gadolinium(III)]-bis[μ-3-(pyridin-4-yl)benzoato- κ^2^<i>O</i>:<i>O</i>']] monohydrate]","","- C36 H30 Gd N3 O9 -","- C36 H30 Gd N3 O9 -","- C72 H60 Gd2 N6 O18 -","2","1","HB6834","Li, Dong-Ying; Li, Guo-Ting","<i>catena</i>-Poly[[[diaqua[3-(pyridin-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']gadolinium(III)]-bis[μ-3-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']] monohydrate]","Acta Crystallographica Section E","2012","68","7","m928","m929","10.1107/S1600536812026153","","","0.71073","MoKα","","0.0324","0.0247","","","0.0578","0.0613","","","","","","1.047","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2235465","19.8712","0.0016","12.1917","0.001","16.733","0.002","90","","121.188","0.004","90","","3467.9","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4<i>Z</i>)-4-[(2<i>E</i>)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]- 3-methyl-1-(4-methylphenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C160 H136 N24 O32 -","8","1","HB6835","Chaudhry, Faryal; Tahir, M. Nawaz; Khan, Misbahul Ain; Ather, Abdul Qayyum; Asif, Nadia","(4<i>Z</i>)-4-[(2<i>E</i>)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2044","","10.1107/S1600536812025238","","","0.71073","MoKα","","0.116","0.0522","","","0.116","0.1426","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235466","10.4267","0.0004","16.6554","0.0007","8.0961","0.0003","90","","109.61","0.001","90","","1324.43","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C52 H68 N4 O12 S4 -","4","1","HB6836","Mukhtar, Asma; Tahir, M. Nawaz; Khan, Misbahul Ain; Ather, Abdul Qayyum; Khan, Muhammad Naeem","Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2042","","10.1107/S160053681202524X","","","0.71073","MoKα","","0.058","0.0396","","","0.0935","0.1053","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235467","7.1446","0.0001","8.8075","0.0001","17.3274","0.0002","90","","111.942","0.001","90","","1011.36","0.02","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(1-Benzofuran-2-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione monohydrate","","- C10 H9 N3 O2 S -","- C10 H9 N3 O2 S -","- C40 H36 N12 O8 S4 -","4","1","HB6837","Fun, Hoong-Kun; Arshad, Suhana; Nithinchandra; Kalluraya, Balakrishna; Shetty, Shobhitha","3-(1-Benzofuran-2-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione monohydrate","Acta Crystallographica Section E","2012","68","7","o2067","","10.1107/S1600536812025305","","","0.71073","MoKα","","0.0573","0.0417","","","0.0988","0.1077","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235468","8.5604","0.0006","9.3481","0.0007","11.7443","0.001","105.121","0.003","99.748","0.002","110.806","0.003","811.59","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetrahydro-1-benzothiophene- 3-carboxylate","","- C17 H18 N2 O3 S -","- C17.004 H18.009 N2 O3 S -","- C34.008 H36.018 N4 O6 S2 -","2","1","HB6838","Mukhtar, Asma; Tahir, M. Nawaz; Khan, Misbahul Ain; Ather, Abdul Qayyum; Sajid, Naveed","Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2041","","10.1107/S1600536812025251","","","0.71073","MoKα","","0.0847","0.0452","","","0.0973","0.1158","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235469","7.6586","0.0004","10.7334","0.0006","11.5772","0.0004","69.437","0.004","81.546","0.003","72.736","0.004","849.93","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κ<i>O</i>)(acetato-κ^2^<i>O</i>,<i>O</i>')[2-(3,5-dimethyl-\ 1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)quinoline-κ<i>N</i>]zinc(II)","","- C18 H19 N3 O4 Zn -","- C18 H19 N3 O4 Zn -","- C36 H38 N6 O8 Zn2 -","2","1","HB6839","Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","(Acetato-κ<i>O</i>)(acetato-κ^2^<i>O</i>,<i>O</i>')[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)quinoline-κ<i>N</i>]zinc(II)","Acta Crystallographica Section E","2012","68","7","m897","m898","10.1107/S1600536812025664","","","1.54184","CuKα","","0.0313","0.0295","","","0.0792","0.0812","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235470","19.345","0.003","6.487","0.0013","21.145","0.003","90","","97.617","0.014","90","","2630.1","0.8","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl α-<i>L</i>-rhamnosyl-(1→2)[α-<i>L</i>-rhamnosyl- (1→3)]-α-<i>L</i>-rhamnoside pentahydrate","","- C19 H44 O18 -","- C19 H44 O18 -","- C76 H176 O72 -","4","1","HB6841","Eriksson, Lars; Widmalm, Göran","Methyl α-<small>L</small>-rhamnosyl-(1\ρightarrow 2)[α-<small>L</small>-rhamnosyl-(1\ρightarrow 3)]-α-<small>L</small>-rhamnoside pentahydrate: synchrotron study","Acta Crystallographica Section E","2012","68","7","o2221","o2222","10.1107/S1600536812027390","","","0.897","synchrotron","","0.0365","0.0334","","","0.0859","0.0867","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235471","7.2956","0.0004","9.8463","0.0005","21.7489","0.0011","90","","90","","90","","1562.32","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κ<i>N</i>]hydrazin-1- ylidene-κ<i>N</i>^1^}ethyl)phenolato-κ<i>O</i>](pyridine-κ<i>N</i>)nickel(II)","","- C16 H18 N4 Ni O S -","- C16 H18 N4 Ni O S -","- C64 H72 N16 Ni4 O4 S4 -","4","1","HB6842","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κ<i>N</i>]hydrazin-1-ylidene-κ<i>N</i>^1^}ethyl)phenolato-κ<i>O</i>](pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","7","m911","","10.1107/S1600536812026177","","","0.71073","MoKα","","0.0509","0.0397","","","0.0698","0.075","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235472","11.8193","0.0004","4.9841","0.0002","17.4985","0.0006","90","","91.453","0.003","90","","1030.48","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-9<i>H</i>-1,3,4-thiadiazolo[2,3-<i>b</i>]quinazolin-9-one","","- C10 H7 N3 O S2 -","- C10 H7 N3 O S2 -","- C40 H28 N12 O4 S8 -","4","1","HB6843","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Al-Swaidan, Ibrahim A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methylsulfanyl-9<i>H</i>-1,3,4-thiadiazolo[2,3-<i>b</i>]quinazolin-9-one","Acta Crystallographica Section E","2012","68","7","o2134","","10.1107/S1600536812026189","","","1.54184","CuKα","","0.0317","0.029","","","0.0795","0.0817","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235473","17.0666","0.0006","8.7147","0.0003","7.9931","0.0002","90","","90","","90","","1188.82","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-(3-Fluoroanilino)thieno[2,3-<i>b</i>]pyridine-6-carboxylic acid","","- C14 H9 F N2 O2 S -","- C14 H9 F N2 O2 S -","- C56 H36 F4 N8 O8 S4 -","4","1","HB6844","Pinheiro, Luiz C. S.; Bernardino, Alice M. R.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","4-(3-Fluoroanilino)thieno[2,3-<i>b</i>]pyridine-6-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o2217","o2218","10.1107/S1600536812027195","","","0.71073","MoKα","","0.0432","0.0353","","","0.0841","0.0872","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2235474","7.9487","0.0002","9.8939","0.0003","13.4348","0.0004","90","","106.143","0.002","90","","1014.9","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C36 H52 N4 O8 S4 -","4","1","HB6845","Ghorab, Mostafa M.; Al-Said, Mansour S.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2111","","10.1107/S1600536812026268","","","1.54178","CuKα","","0.0395","0.0369","","","0.1013","0.1039","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235475","12.275","0.003","7.4343","0.0011","19.328","0.003","90","","90","","90","","1763.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(2-Fluoropyridin-5-yl)phenol","","- C11 H8 F N O -","- C11 H8 F N O -","- C88 H64 F8 N8 O8 -","8","1","HB6846","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz","4-(2-Fluoropyridin-5-yl)phenol","Acta Crystallographica Section E","2012","68","7","o2124","","10.1107/S1600536812026499","","","0.71073","MoKα","","0.1282","0.0512","","","0.0962","0.123","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235476","8.6665","0.0005","9.7612","0.0004","10.1328","0.0005","108.181","0.003","101.561","0.002","103.217","0.003","757.83","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-(2-Methoxybenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C34 H30 N2 O4 S2 -","2","1","HB6847","Selvakumar, R.; Bakthadoss, M.; Lakshmanan, D.; Murugavel, S.","(<i>Z</i>)-3-(2-Methoxybenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2126","","10.1107/S160053681202661X","","","0.71073","MoKα","","0.0749","0.0464","","","0.1225","0.1456","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235477","8.0411","0.0003","9.7243","0.0003","12.0849","0.0004","73.387","0.003","84.465","0.003","86.077","0.003","900.47","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κ<i>N</i>]hydrazin-1-ylidene- κ<i>N</i>^1^}ethyl)phenolato-κ<i>O</i>](dimethyl sulfoxide-<i>κO</i>)dioxidomolybdenum(VI)","","- C13 H19 Mo N3 O4 S2 -","- C13 H19 Mo N3 O4 S2 -","- C26 H38 Mo2 N6 O8 S4 -","2","1","HB6848","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κ<i>N</i>]hydrazin-1-ylidene-κ<i>N</i>^1^}ethyl)phenolato-κ<i>O</i>](dimethyl sulfoxide-<i>{κ</i>O})dioxidomolybdenum(VI)","Acta Crystallographica Section E","2012","68","7","m944","m945","10.1107/S1600536812026566","","","0.71073","MoKα","","0.0331","0.0297","","","0.0694","0.0719","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235478","8.828","0.0001","10.8519","0.0002","17.7353","0.0002","90","","94.379","0.001","90","","1694.09","0.04","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-2-[(3-Methyl-5-phenoxy-1-phenyl-1<i>H</i>-pyrazol-4- yl)methylidene]hydrazinecarbothioamide","","- C18 H17 N5 O S -","- C18 H17 N5 O S -","- C72 H68 N20 O4 S4 -","4","1","HB6849","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna; Nitinchandra","(2<i>E</i>)-2-[(3-Methyl-5-phenoxy-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","7","o2146","o2147","10.1107/S1600536812026931","","","0.71073","MoKα","","0.0649","0.0461","","","0.1033","0.1131","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235479","25.0594","0.0004","4.6718","0.0001","12.6166","0.0002","90","","99.175","0.001","90","","1458.16","0.05","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]-1-benzofuran-2-carbohydrazide monohydrate","","- C16 H13 Br N2 O3 -","- C16 H13 Br N2 O3 -","- C64 H52 Br4 N8 O12 -","4","1","HB6850","Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Babu, M.","<i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]-1-benzofuran-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2121","","10.1107/S1600536812026724","","","0.71073","MoKα","","0.0245","0.0214","","","0.0476","0.0484","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235480","12.7018","0.0015","10.2689","0.0012","7.4695","0.0008","90","","101.067","0.007","90","","956.15","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Methoxyphenyl)-1<i>H</i>-pyrrole-2,5-dione","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","HB6853","Sirajuddin, Muhammad; Ali, Saqib; Tahir, M. Nawaz","1-(2-Methoxyphenyl)-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section E","2012","68","7","o2282","","10.1107/S1600536812026888","","","0.71073","MoKα","","0.071","0.0407","","","0.0952","0.112","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235481","15.1982","0.0002","8.2416","0.0001","10.79","0.0001","90","","101.173","0.001","90","","1325.91","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","HB6854","Rassem, Hesham Hussein; Salhin, Abdussalam; Bin Salleh, Baharuddin; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2279","","10.1107/S1600536812027201","","","0.71073","MoKα","","0.053","0.0427","","","0.1112","0.1218","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235482","6.3546","0.0001","13.4894","0.0002","19.1921","0.0003","90","","90","","90","","1645.14","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>*,8a<i>S</i>*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","HB6855","Chen, W.; Tang, K.-S.; Fan, L.-Y.","(4a<i>R</i>*,8a<i>S</i>*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","Acta Crystallographica Section E","2012","68","7","o2212","","10.1107/S1600536812028061","","","1.54178","CuKα","","0.0359","0.0355","","","0.0986","0.0989","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235483","10.7908","0.0007","10.4672","0.0005","25.8714","0.0017","90","","90","","90","","2922.2","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Formyl-6-methoxyphenyl cinnamate","","- C17 H14 O4 -","- C17 H14 O4 -","- C136 H112 O32 -","8","1","HB6858","Manikandan, N.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","2-Formyl-6-methoxyphenyl cinnamate","Acta Crystallographica Section E","2012","68","7","o2167","","10.1107/S160053681202747X","","","0.71073","MoKα","","0.0592","0.0368","","","0.0922","0.106","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235484","24.2707","0.0017","5.1322","0.0002","10.5192","0.0004","90","","90","","90","","1310.29","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-3-phenylprop- 2-enohydrazide","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HB6860","Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-3-phenylprop-2-enohydrazide","Acta Crystallographica Section E","2012","68","7","o2253","o2254","10.1107/S1600536812028516","","","0.71073","MoKα","","0.03","0.0283","","","0.0735","0.0749","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235485","11.473","0.019","7.507","0.013","30.5","0.05","90","","90","","90","","2627","8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-Benzylidene]-3-phenylprop-2-enohydrazide","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","HB6861","Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-Benzylidene]-3-phenylprop-2-enohydrazide from synchrotron radiation","Acta Crystallographica Section E","2012","68","7","o2255","o2256","10.1107/S1600536812028504","","","0.6943","synchrotron","","0.0679","0.0486","","","0.1262","0.1402","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235486","11.4809","0.0009","22.2091","0.0016","3.6978","0.0006","90","","91.304","0.01","90","","942.62","0.18","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile","","- C11 H6 N2 O -","- C11 H6 N2 O -","- C44 H24 N8 O4 -","4","0.5","HB6862","Chin, Yee Jan; Tan, Ai Ling; Wimmer, Franz L.; Mirza, Aminul Huq; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","7","o2293","o2294","10.1107/S1600536812028309","","","0.71073","MoKα","","0.0773","0.0586","","","0.1504","0.1633","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235487","8.4091","0.0003","11.4745","0.0004","16.8098","0.0006","73.674","0.001","79.066","0.001","68.634","0.001","1442.67","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[1,2-Bis(diphenylphosphanyl)ethane- κ^2^<i>P</i>,<i>P</i>']dichloridopalladium(II) dimethyl sulfoxide monosolvate","","- C28 H30 Cl2 O P2 Pd S -","- C28 H30 Cl2 O P2 Pd S -","- C56 H60 Cl4 O2 P4 Pd2 S2 -","2","1","HB6864","Warad, Ismail; Aldwayyan, Abdullah S.; Al-Jekhedab, Fahad M.; Choudhary, M. Iqbal; Yousuf, Sammer","[1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridopalladium(II) dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","7","m984","m985","10.1107/S1600536812028310","","","0.71073","MoKα","","0.0315","0.0267","","","0.0661","0.0691","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235488","11.2417","0.0005","7.8381","0.0008","25.3933","0.0018","90","","90","","90","","2237.5","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(benzyloxy)-1H-benzotriazole","1-Benzyloxy-1<i>H</i>-benzotriazole","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","HB6865","Jebas, Samuel Robinson; Selvarathy Grace, P.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyloxy-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2012","68","7","o2239","","10.1107/S1600536812028395","","","1.54178","CuKα","","0.0607","0.0542","","","0.1567","0.1629","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235489","9.7594","0.0001","13.7946","0.0002","21.8681","0.0003","90","","104.092","0.001","90","","2855.44","0.07","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromido({2-[2-(diphenylphosphanyl)benzylidene]hydrazin-1-ylidene}(4- methoxyanilino)methanethiolato)palladium(II) acetone monosolvate","","- C30 H29 Br N3 O2 P Pd S -","- C30 H29 Br N3 O2 P Pd S -","- C120 H116 Br4 N12 O8 P4 Pd4 S4 -","4","1","HB6867","Mokthar, Khalisah Asilah; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","Bromido({2-[2-(diphenylphosphanyl)benzylidene]hydrazin-1-ylidene}(4-methoxyanilino)methanethiolato)palladium(II) acetone monosolvate","Acta Crystallographica Section E","2012","68","7","m991","m992","10.1107/S1600536812028760","","","0.71073","MoKα","","0.0319","0.0229","","","0.0514","0.0552","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235490","12.2173","0.0007","7.8523","0.0005","15.6025","0.0009","90","","108.577","0.001","90","","1418.82","0.15","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{2-[(<i>E</i>)-(2-Benzoylhydrazin-1-ylidene)methyl]phenoxy}acetic acid","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","HB6868","Fun, Hoong-Kun; Chia, Tze Shyang; Alafeefy, Ahmed M.; Abdel-Aziz, Hatem A.","2-{2-[(<i>E</i>)-(2-Benzoylhydrazin-1-ylidene)methyl]phenoxy}acetic acid","Acta Crystallographica Section E","2012","68","7","o2260","o2261","10.1107/S1600536812028735","","","0.71073","MoKα","","0.0489","0.0403","","","0.1163","0.1244","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235491","14.7849","0.0013","9.2643","0.0008","9.7859","0.0008","90","","106.792","0.001","90","","1283.24","0.19","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1<i>H</i>-Benzimidazol-2-yl)sulfanyl]-1-phenylethanone","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","HB6869","Abdel-Aziz, Hatem A.; Chia, Tze Shyang; Fun, Hoong-Kun","2-[(1<i>H</i>-Benzimidazol-2-yl)sulfanyl]-1-phenylethanone","Acta Crystallographica Section E","2012","68","7","o2262","","10.1107/S1600536812028747","","","0.71073","MoKα","","0.0533","0.041","","","0.0897","0.0959","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235492","7.2681","0.0014","12.361","0.002","10.704","0.002","90","","101.158","0.003","90","","943.5","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Chloro-1-[(<i>Z</i>)-2-phenylhydrazin-1-ylidene]propan-2-one","","- C9 H9 Cl N2 O -","- C9 H9 Cl N2 O -","- C36 H36 Cl4 N8 O4 -","4","1","HB6870","Abdel-Aziz, Hatem A.; Chia, Tze Shyang; Fun, Hoong-Kun","1-Chloro-1-[(<i>Z</i>)-2-phenylhydrazin-1-ylidene]propan-2-one","Acta Crystallographica Section E","2012","68","7","o2263","","10.1107/S1600536812028759","","","0.71073","MoKα","","0.0626","0.0487","","","0.1372","0.1478","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235493","10.0878","0.0007","10.2837","0.0005","11.3583","0.0007","94.15","0.005","107.713","0.006","111.065","0.005","1025.32","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Chlorobenzyl)-3-methyl-2,6-diphenylpiperidine","","- C25 H26 Cl N -","- C25 H26 Cl N -","- C50 H52 Cl2 N2 -","2","1","HB6872","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","1-(2-Chlorobenzyl)-3-methyl-2,6-diphenylpiperidine","Acta Crystallographica Section E","2012","68","7","o2300","","10.1107/S1600536812029200","","","0.71073","MoKα","","0.1234","0.0738","","","0.1577","0.1852","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235494","13.494","0.0006","17.3005","0.0006","18.5078","0.0006","90","","100.892","0.004","90","","4242.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Chlorobenzyl)-3,5-dimethyl-2,6-diphenylpiperidine","","- C26 H28 Cl N -","- C26 H28 Cl N -","- C208 H224 Cl8 N8 -","8","2","HB6873","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","1-(2-Chlorobenzyl)-3,5-dimethyl-2,6-diphenylpiperidine","Acta Crystallographica Section E","2012","68","7","o2301","o2302","10.1107/S1600536812029212","","","0.71073","MoKα","","0.0753","0.0495","","","0.1097","0.1248","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235495","8.5441","0.0005","8.6018","0.0005","9.5626","0.0006","67.913","0.001","77.928","0.001","67.837","0.001","601.25","0.06","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","3,3'-Diethyl-1,1'-(1,4-phenylenedimethylene)diimidazol-3-ium bis(hexafluorophosphate)","","- C18 H24 F12 N4 P2 -","- C18 H24 F12 N4 P2 -","- C18 H24 F12 N4 P2 -","1","0.5","HB6877","Haque, Rosenani A.; Nasri, S. Fatimah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-Diethyl-1,1'-(1,4-phenylenedimethylene)diimidazol-3-ium bis(hexafluorophosphate)","Acta Crystallographica Section E","2012","68","7","o2280","","10.1107/S1600536812028966","","","0.71073","MoKα","","0.0708","0.0529","","","0.1531","0.1696","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235496","10.3943","0.0002","6.6089","0.0002","10.6563","0.0003","90","","94.982","0.002","90","","729.27","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-(3,5-dimethyl-1,1-dioxo-2<i>H</i>-1λ^6^,2,6-thiadiazin-4-yl)benzoate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C28 H32 N4 O8 S2 -","2","1","HG5223","Bhatt, Nilay; Bhatt, Pralav; Vyas, Kartik B.; Nimavat, Kiran; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Ethyl 2-(3,5-dimethyl-1,1-dioxo-2<i>H</i>-1λ^6^,2,6-thiadiazin-4-yl)benzoate","Acta Crystallographica Section E","2012","68","7","o2160","","10.1107/S1600536812024907","","","0.71073","MoKα","","0.0305","0.0265","","","0.0647","0.0668","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235497","12.5695","0.0007","4.4216","0.0003","17.3861","0.0009","90","","106.005","0.006","90","","928.82","0.1","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl-κ<i>N</i>^3^)phenolato- κ<i>O</i>^1^]copper(II)","","- C18 H14 Cu N4 O4 S2 -","- C18 H14 Cu N4 O4 S2 -","- C36 H28 Cu2 N8 O8 S4 -","2","0.5","HP2039","Ouilia, Souheila; Beghidja, Chahrazed; Beghidja, Adel; Michaud, François","Bis[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl-κ<i>N</i>^3^)phenolato-κ<i>O</i>^1^]copper(II)","Acta Crystallographica Section E","2012","68","7","m943","","10.1107/S1600536812026815","","","0.71073","MoKα","","0.06","0.0328","","","0.0623","0.0664","","","","","","0.99","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235498","17.6689","0.0012","15.076","0.0007","17.9479","0.001","90","","90","","90","","4780.9","0.5","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(methanol-1κ<i>O</i>)tetra-μ-pyridazine- 1:2κ^4^<i>N</i>:<i>N</i>';2:3κ^4^<i>N</i>:<i>N</i>'-di-μ-thiocyanato- 1:2κ^2^<i>N</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>N</i>-tetrathiocyanato- 1κ^2^<i>N</i>,3κ^2^<i>N</i>-trinickel(II) methanol tetrasolvate","","- C28 H40 N14 Ni3 O6 S6 -","- C28 H40 N14 Ni3 O6 S6 -","- C112 H160 N56 Ni12 O24 S24 -","4","0.5","HP2040","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Bis(methanol-1κ<i>O</i>)tetra-μ-pyridazine-1:2κ^4^<i>N</i>:<i>N</i>';2:3κ^4^<i>N</i>:<i>N</i>'-di-μ-thiocyanato-1:2κ^2^<i>N</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>N</i>-tetrathiocyanato-1κ^2^<i>N</i>,3κ^2^<i>N</i>-trinickel(II) methanol tetrasolvate","Acta Crystallographica Section E","2012","68","7","m940","m941","10.1107/S1600536812026864","","","0.71073","MoKα","","0.058","0.0408","","","0.0978","0.1062","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235499","8.987","0.003","19.769","0.003","10.305","0.003","90","","90","","90","","1830.8","0.9","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato- κ^4^<i>O</i>:<i>O</i>'] chloride]","","- C12 H16 Cl La N2 O8 -","- C12 H16 Cl La N2 O8 -","- C48 H64 Cl4 La4 N8 O32 -","4","0.5","HY2530","Zhao, Jin-He","<i>catena</i>-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>'] chloride]","Acta Crystallographica Section E","2012","68","7","m972","","10.1107/S1600536812027778","","","0.71073","MoKα","","0.0287","0.0251","","","0.0561","0.0579","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235500","11.1641","0.0004","12.2744","0.0005","13.2265","0.0005","106.924","0.002","99.622","0.003","103.452","0.002","1631.79","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Hexakis(μ~2~-4-amino-3,5-dimethyl-4<i>H</i>- 1,2,4-triazole)hexaaquatricobalt(II) naphthalene-1,5-disulfonate tetrachloride","","- C34 H66 Cl4 Co3 N24 O12 S2 -","- C34 H66.006 Cl4 Co3 N24 O12 S2 -","- C34 H66.006 Cl4 Co3 N24 O12 S2 -","1","0.5","HY2535","Gu, Zhi-Guo; Wang, Bao-Xiang; Pang, Chun-Yan; Bao, Fei-Fei","Hexakis(μ~2~-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole)hexaaquatricobalt(II) naphthalene-1,5-disulfonate tetrachloride","Acta Crystallographica Section E","2012","68","7","m862","","10.1107/S1600536812020417","","","0.71073","MoKα","","0.0594","0.0475","","","0.1038","0.1078","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235501","8.2957","0.001","22.104","0.003","22.11","0.003","90","","90","","90","","4054.3","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)- κ^2^<i>O</i>^1^:<i>O</i>^1'^-di-μ-chlorido]","","- C19 H12 Br Cl2 La N2 O3 -","- C19 H12 Br Cl2 La N2 O3 -","- C152 H96 Br8 Cl16 La8 N16 O24 -","8","1","HY2550","Zhu, Wen-Qing; Wang, Jin-Ping; Yuan, Yu-Kun; Li, Zhuo","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)-κ^2^<i>O</i>^1^:<i>O</i>^1'^-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","7","m896","","10.1107/S1600536812025500","","","0.71073","MoKα","","0.0526","0.0344","","","0.0945","0.1247","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235502","7.6411","0.0015","9.3603","0.0019","19.589","0.004","90","","90","","90","","1401.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(ethanediol-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C4 H6 O6 Zn -","- C4 H6 O6 Zn -","- C32 H48 O48 Zn8 -","8","1","HY2552","Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming","<i>catena</i>-Poly[[(ethanediol-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","7","m868","","10.1107/S1600536812024361","","","0.71073","MoKα","","0.0582","0.0427","","","0.1215","0.1327","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235503","13.067","0.003","20.377","0.004","7.281","0.0015","90","","109.03","0.03","90","","1832.7","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,9-Dimethyl-1,10-phenanthrolin-1-ium tetrachloridoferrate(III) methanol monosolvate","","- C15 H17 Cl4 Fe N2 O -","- C15 H17 Cl4 Fe N2 O -","- C60 H68 Cl16 Fe4 N8 O4 -","4","0.5","HY2554","Bahojb Noruzi, Ehsan; Safari, Nasser; Amani, Vahid; Notash, Behrouz","2,9-Dimethyl-1,10-phenanthrolin-1-ium tetrachloridoferrate(III) methanol monosolvate","Acta Crystallographica Section E","2012","68","7","m905","","10.1107/S1600536812025111","","","0.71073","MoKα","","0.0586","0.0448","","","0.094","0.0986","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235504","6.6148","0.0009","18.463","0.002","29.286","0.003","90","","90","","90","","3576.7","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2- oxidobenzylidene)isoleucinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","","- C15 H22 N O6 V -","- C15 H22 N O6 V -","- C120 H176 N8 O48 V8 -","8","2","HY2555","Wang, Chengyuan; Guo, Zhenghua; Dong, Jianfang; Li, Lianzhi","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2-oxidobenzylidene)isoleucinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","Acta Crystallographica Section E","2012","68","7","m982","","10.1107/S1600536812028231","","","0.71073","MoKα","","0.163","0.0922","","","0.1925","0.2151","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235505","8.0102","0.001","16.862","0.002","10.5164","0.0012","90","","93.203","0.002","90","","1418.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[1,2,2-trimethylcyclopentane-1,3-diammonium [aluminate(III)-μ-(hydrogen phosphato)-μ-phosphato]]","","- C8 H21 Al N2 O8 P2 -","- C8 H21 Al N2 O8 P2 -","- C32 H84 Al4 N8 O32 P8 -","4","1","HY2556","Liang, Li-Li","<i>catena</i>-Poly[1,2,2-trimethylcyclopentane-1,3-diammonium [aluminate(III)-μ-(hydrogen phosphato)-μ-phosphato]]","Acta Crystallographica Section E","2012","68","7","m986","","10.1107/S1600536812028826","","","0.71073","MoKα","","0.0588","0.0409","","","0.0927","0.0984","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235506","10.8942","0.0009","11.6784","0.001","12.2866","0.0011","90","","95.772","0.005","90","","1555.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6,6'-Dimethyl-2,2'-bipyridin-1-ium tetrachloridoaurate(III)","","- C12 H13 Au Cl4 N2 -","- C12 H13 Au Cl4 N2 -","- C48 H52 Au4 Cl16 N8 -","4","1","HY2560","Zare Dehnavi, Marzieh; Abedi, Anita","6,6'-Dimethyl-2,2'-bipyridin-1-ium tetrachloridoaurate(III)","Acta Crystallographica Section E","2012","68","7","m981","","10.1107/S160053681202853X","","","0.71073","MoKα","","0.0275","0.0228","","","0.0478","0.0493","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235507","7.3075","0.0015","12.416","0.003","12.551","0.003","90","","92.43","0.03","90","","1137.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(methanol-κ<i>O</i>)copper(II) benzene-1,4-dicarboxylate methanol disolvate","","- C16 H36 Cu N4 O8 -","- C16 H36 Cu N4 O8 -","- C32 H72 Cu2 N8 O16 -","2","0.5","HY2562","Abbaszadeh, Abolfazl; Safari, Nasser; Amani, Vahid; Notash, Behrouz","Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(methanol-κ<i>O</i>)copper(II) benzene-1,4-dicarboxylate methanol disolvate","Acta Crystallographica Section E","2012","68","7","m1012","","10.1107/S1600536812028942","","","0.71073","MoKα","","0.0642","0.041","","","0.0786","0.0845","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235508","8.908","0.0005","16.5249","0.0012","18.6981","0.0013","90","","90","","90","","2752.4","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{(<i>S</i>)-2-[({2-[1-(Anthracen-9-ylmethyl)pyrrolidine-2- carboxamido]phenyl}(phenyl)methylidene)amino]acetato(2-)- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}nickel(II)","","- C35 H29 N3 Ni O3 -","- C35 H29 N3 Ni O3 -","- C140 H116 N12 Ni4 O12 -","4","1","IM2378","Padělková, Zdeňka; Popkov, Alexander; Nádvorník, Milan","{(<i>S</i>)-2-[({2-[1-(Anthracen-9-ylmethyl)pyrrolidine-2-carboxamido]phenyl}(phenyl)methylidene)amino]acetato(2{-})-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}nickel(II)","Acta Crystallographica Section E","2012","68","7","m954","m955","10.1107/S1600536812026827","","","0.71073","MoKα","","0.0674","0.0438","","","0.0755","0.0867","","","","","","1.189","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235509","9.7821","0.0004","7.962","0.0003","11.5472","0.0004","90","","109.837","0.002","90","","845.99","0.06","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","(4<i>R</i>,5<i>S</i>)-4-Hydroxymethyl-5-[(methylsulfanyl)methyl]- 1,3-oxazolidin-2-one","","- C6 H11 N O3 S -","- C6 H11 N O3 S -","- C24 H44 N4 O12 S4 -","4","1","IM2379","Gainsford, Graeme J.; Clinch, Keith","(4<i>R</i>,5<i>S</i>)-4-Hydroxymethyl-5-[(methylsulfanyl)methyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","7","o2082","","10.1107/S1600536812025809","","","0.71073","MoKα","","0.0232","0.0223","","","0.0591","0.0597","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235510","11.2255","0.0016","8.4153","0.0013","9.7252","0.0014","90","","92.355","0.002","90","","917.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[tetraaqua(μ~6~-9,10-dioxo-9,10-dihydroanthracene-1,4,5,8- tetracarboxylato)dimanganese(II)]","","- C18 H12 Mn2 O14 -","- C18 H12 Mn2 O14 -","- C36 H24 Mn4 O28 -","2","0.5","IM2383","Xu, Rui; Liu, Jian-Lan","Poly[tetraaqua(μ~6~-9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)dimanganese(II)]","Acta Crystallographica Section E","2012","68","7","m957","","10.1107/S1600536812027158","","","0.71073","MoKα","","0.0303","0.0284","","","0.0743","0.0755","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235511","9.9357","0.0002","11.2614","0.0003","15.8263","0.0003","110.625","0.001","91.525","0.003","102.879","0.004","1604.85","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-Bromo-4-(2-cyclohexylidenehydrazin-1-ylidene)-1-methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine","","- C15 H18 Br N3 O2 S -","- C15 H18 Br N3 O2 S -","- C60 H72 Br4 N12 O8 S4 -","4","2","IM2384","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Safder, Muhammad; Haider, Zeeshan","6-Bromo-4-(2-cyclohexylidenehydrazin-1-ylidene)-1-methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine","Acta Crystallographica Section E","2012","68","7","o2088","o2089","10.1107/S1600536812025123","","","0.71073","MoKα","","0.0945","0.049","","","0.1131","0.1251","","","","","","0.896","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235512","7.2644","0.0004","9.7607","0.0002","10.8411","0.0006","71.317","0.007","75.453","0.007","69.816","0.008","674.87","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetate-κ<i>O</i>]mercury(II)","","- C12 H11 Cl2 Hg N O3 -","- C12 H11 Cl2 Hg N O3 -","- C24 H22 Cl4 Hg2 N2 O6 -","2","1","IM2385","Wang, Yu-Hong; Zhu, Xue-Hua; Song, Rui-Feng","Dichlorido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetate-κ<i>O</i>]mercury(II)","Acta Crystallographica Section E","2012","68","7","m951","","10.1107/S1600536812026591","","","0.71075","MoKα","","0.0535","0.0517","","","0.1397","0.1416","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235513","12.1007","0.0009","12.9869","0.001","18.7501","0.0014","72.064","0.001","81.595","0.001","68.558","0.001","2607.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","5297","([2.2.2]Cryptand-κ^6^<i>O</i>)potassium (η^4^-cyclooctadiene)bis(η^2^-pyrene)cobaltate(1-) pentane hemisolvate","","- C60.5 H72 Co K N2 O6 -","- C60.5 H74 Co K N2 O6 -","- C121 H148 Co2 K2 N4 O12 -","2","1","IM2388","Brennessel, William W.; Ellis, John E.","([2.2.2]Cryptand-κ^6^<i>O</i>)potassium (η^4^-cyclooctadiene)bis(η^2^-pyrene)cobaltate(1{-}) pentane hemisolvate","Acta Crystallographica Section E","2012","68","7","m1013","m1014","10.1107/S1600536812029078","","","0.71073","MoKα","","0.075","0.0422","","","0.0917","0.1076","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235514","12.284","0.006","5.64","0.003","7.881","0.004","90","","108.713","0.009","90","","517.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl pyrazine-2,5-dicarboxylate","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","0.5","IS5143","Li, Chuan-Hui; Wu, Wen-Shi; Huang, Yu-Min","Diethyl pyrazine-2,5-dicarboxylate","Acta Crystallographica Section E","2012","68","7","o2236","","10.1107/S1600536812028164","","","0.71073","MoKα","","0.0604","0.0525","","","0.1255","0.1307","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235515","13.7592","0.0001","6.7898","0.0001","22.4361","0.0003","90","","101.908","0.001","90","","2050.92","0.04","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2- fluorophenyl)prop-2-en-1-one","","- C28 H19 F3 O2 -","- C28 H19 F3 O2 -","- C112 H76 F12 O8 -","4","1","IS5146","Fun, Hoong-Kun; Loh, Wan-Sin; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","7","o2024","","10.1107/S1600536812024981","","","0.71073","MoKα","","0.0874","0.0578","","","0.1243","0.1403","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235516","7.5612","0.0013","10.4517","0.0018","19.516","0.003","76.034","0.004","89.531","0.004","84.052","0.004","1488.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(3-methoxyphenyl)ethylidene]hydrazine","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C60 H56 N16 O20 -","4","2","IS5147","Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(3-methoxyphenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","7","o2144","o2145","10.1107/S1600536812026979","","","0.71073","MoKα","","0.1195","0.0862","","","0.2645","0.2959","","","","","","1.11","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235517","9.4976","0.0007","7.5987","0.0006","19.2434","0.0015","90","","103.672","0.002","90","","1349.43","0.18","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Methoxy-2-nitrophenyl)-<i>N</i>-(methylsulfonyl)methanesulfonamide","","- C9 H12 N2 O7 S2 -","- C9 H12 N2 O7 S2 -","- C36 H48 N8 O28 S8 -","4","1","IS5148","Yousuf, Sammer; Siddiqui, Hina; Farooq, Rabia; Choudhary, M. Iqbal","<i>N</i>-(4-Methoxy-2-nitrophenyl)-<i>N</i>-(methylsulfonyl)methanesulfonamide","Acta Crystallographica Section E","2012","68","7","o2090","","10.1107/S160053681202483X","","","0.71073","MoKα","","0.0505","0.0397","","","0.1057","0.1133","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235518","8.1227","0.0001","8.8745","0.0001","12.407","0.0002","69.386","0.001","72.442","0.001","75.509","0.001","787.634","0.019","100","","100","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-[4-(Diethylamino)benzylideneammonio]benzenesulfonate","","- C17 H20 N2 O3 S -","- C17 H20 N2 O3 S -","- C34 H40 N4 O6 S2 -","2","1","IS5152","Ruanwas, Pumsak; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-[4-(Diethylamino)benzylideneammonio]benzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2155","o2156","10.1107/S1600536812026402","","","0.71073","MoKα","","0.0396","0.0342","","","0.0929","0.0968","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235519","6.6678","0.0002","12.0783","0.0006","20.0529","0.0008","90","","90","","90","","1614.97","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>- 2λ^6^,1-benzothiazine-2,2-dione","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>- 2λ^6^,1-benzothiazine-2,2-dione","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C68 H68 N12 O8 S4 -","4","1","IS5153","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Mahmood, Tariq; Ashfaq, Muhammad; Ahmad, Saeed","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","7","o2100","","10.1107/S1600536812025743","","","0.71073","MoKα","","0.0694","0.0449","","","0.0964","0.1079","","","","","","0.972","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235520","9.15","0.0009","11.3609","0.0012","13.6377","0.0014","109.259","0.002","108.431","0.001","95.31","0.002","1238.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3<i>Z</i>,3'<i>E</i>)-3,3'-[Cyclohexane-1,2- diylbis(azanylylidene)]bis(indolin-2-one) <i>N</i>,<i>N</i>-dimethylformamide monosolvate dihydrate","","- C25 H31 N5 O5 -","- C25 H31 N5 O5 -","- C50 H62 N10 O10 -","2","1","IS5155","Pezeshkpour, Shaghayegh; Khaledi, Hamid; Mohd Ali, Hapipah","(3<i>Z</i>,3'<i>E</i>)-3,3'-[Cyclohexane-1,2-diylbis(azanylylidene)]bis(indolin-2-one) <i>N</i>,<i>N</i>-dimethylformamide monosolvate dihydrate","Acta Crystallographica Section E","2012","68","7","o2107","","10.1107/S1600536812026335","","","0.71073","MoKα","","0.046","0.0365","","","0.0883","0.0946","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235521","9.7898","0.0012","6.444","0.0008","23.121","0.003","90","","106.614","0.005","90","","1397.7","0.3","100","1","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-3-Chloro-2-fluorobenzylidene]-6- methylnicotinohydrazide monohydrate","","- C14 H13 Cl F N3 O2 -","- C14 H13 Cl F N3 O2 -","- C56 H52 Cl4 F4 N12 O8 -","4","1","IS5156","Fun, Hoong-Kun; Quah, Ching Kheng; Shyma, P. C.; Kalluraya, Balakrishna; Vidyashree, J. H. S.","<i>N</i>'-[(<i>E</i>)-3-Chloro-2-fluorobenzylidene]-6-methylnicotinohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2122","","10.1107/S1600536812026736","","","0.71073","MoKα","","0.0562","0.046","","","0.1282","0.1371","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235522","24.6121","0.0015","4.6625","0.0003","12.657","0.0008","90","","99.294","0.001","90","","1433.37","0.16","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-1-benzofuran-2-carbohydrazide monohydrate","","- C16 H13 Cl N2 O3 -","- C16 H13 Cl N2 O3 -","- C64 H52 Cl4 N8 O12 -","4","1","IS5157","Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Babu, M.","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-1-benzofuran-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2163","","10.1107/S1600536812027523","","","0.71073","MoKα","","0.0283","0.0275","","","0.072","0.0728","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235523","8.6603","0.0001","10.2844","0.0001","10.4033","0.0001","83.816","0.001","81.402","0.001","76.373","0.001","887.839","0.016","100","","100","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[1-(4-Chlorophenyl)ethylidene]-5-methyl-1-(4-nitrophenyl)-1<i>H</i>- 1,2,3-triazole-4-carbohydrazide","","- C18 H15 Cl N6 O3 -","- C18 H15 Cl N6 O3 -","- C36 H30 Cl2 N12 O6 -","2","1","IS5158","Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Shetty, Shobhitha","<i>N</i>'-[1-(4-Chlorophenyl)ethylidene]-5-methyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","Acta Crystallographica Section E","2012","68","7","o2164","","10.1107/S1600536812027535","","","0.71073","MoKα","","0.0504","0.0413","","","0.1127","0.1197","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235524","14.1645","0.0007","14.6276","0.0007","14.0817","0.0007","90","","119.22","0.002","90","","2546.4","0.2","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]pyridine-4-carbohydrazide monohydrate","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","2","IS5159","Fun, Hoong-Kun; Loh, Wan-Sin; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","<i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]pyridine-4-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2303","o2304","10.1107/S1600536812029121","","","0.71073","MoKα","","0.0798","0.0707","","","0.187","0.2048","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235525","14.2959","0.0012","7.8817","0.0008","14.428","0.0013","90","","90","","90","","1625.7","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Cyanopyridinium hydrogen sulfate","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C48 H48 N16 O32 S8 -","8","1","JJ2139","Wang, Ying-Chun","4-Cyanopyridinium hydrogen sulfate","Acta Crystallographica Section E","2012","68","7","o2176","","10.1107/S1600536812027304","","","0.71073","MoKα","","0.036","0.0344","","","0.0904","0.0915","","","","","","1.19","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235526","9.6306","0.0003","13.4129","0.0005","17.9746","0.0007","90","","90.716","0.003","90","","2321.67","0.14","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Acetato(aqua){6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}cobalt(III) methanol disolvate","","- C22 H31 Co N2 O9 -","- C22 H31 Co N2 O9 -","- C88 H124 Co4 N8 O36 -","4","1","JJ2140","Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma","Acetato(aqua){6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}cobalt(III) methanol disolvate","Acta Crystallographica Section E","2012","68","7","m962","m963","10.1107/S1600536812027687","","","0.71073","MoKα","","0.0587","0.0397","","","0.1015","0.1056","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235527","10.484","0.003","16.309","0.002","6.531","0.001","90","","120.4","0.02","90","","963.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","trisodium dicobalt arsenate diarsenate","","- As3 Co2 Na3 O11 -","- As3 Co2 Na3 O11 -","- As12 Co8 Na12 O44 -","4","0.5","JJ2142","Guesmi, Abderrahmen; Driss, Ahmed","Na~3~Co~2~(AsO~4~)(As~2~O~7~): a new sodium cobalt arsenate","Acta Crystallographica Section E","2012","68","7","i58","","10.1107/S1600536812027791","","","0.71073","MoKα","","0.038","0.0268","","","0.0627","0.0666","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235528","11.5331","0.0004","17.254","0.0006","13.6025","0.0005","90","","105.84","0.002","90","","2604.01","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-5-oxo-4,5-dihydro-1<i>H</i>- pyrazole-1-carbothioamide","","- C11 H10 N6 O3 S -","- C11 H10 N6 O3 S -","- C88 H80 N48 O24 S8 -","8","2","KJ2205","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna; Babu, M.","3-Methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-5-oxo-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2012","68","7","o2162","","10.1107/S1600536812027134","","","0.71073","MoKα","","0.1145","0.0736","","","0.1663","0.1866","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235529","14.506","0.0006","11.1732","0.0003","14.7365","0.0006","90","","118.859","0.005","90","","2091.85","0.17","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6'-Amino-3'-methyl-11<i>H</i>,2'<i>H</i>- spiro[indeno[1,2-<i>b</i>]quinoxaline-11,4'-pyrano[2,3-<i>c</i>]pyrazole]- 5'-carbonitrile ethanol monosolvate","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C96 H80 N24 O8 -","4","1","KP2405","Zheng, Jia; Li, Bin; Li, Yi-Qun","6'-Amino-3'-methyl-11<i>H</i>,2'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,4'-pyrano[2,3-<i>c</i>]pyrazole]-5'-carbonitrile ethanol monosolvate","Acta Crystallographica Section E","2012","68","7","o2151","","10.1107/S1600536812026992","","","0.7107","MoKα","","0.0701","0.0466","","","0.1074","0.121","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235530","18.3791","0.0007","15.2466","0.0006","7.7235","0.0003","90","","90.514","0.002","90","","2164.18","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac-</i>Methyl 3-(2-methoxyphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C100 H92 N4 O20 -","4","1","KP2411","Paramasivam, S.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.","<i>rac-</i>Methyl 3-(2-methoxyphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2012","68","7","o1987","","10.1107/S1600536812021356","","","0.71073","MoKα","","0.0817","0.0503","","","0.1324","0.1588","","","","","","0.958","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235531","24.433","0.005","4.7861","0.001","5.6385","0.0011","90","","90","","90","","659.4","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","lithium pyrazinate","Poly[μ~2~-aqua-μ~2~-(pyrazine-2-carboxylato)-lithium]","","- C5 H5 Li N2 O3 -","- C5 H5 Li N2 O3 -","- C20 H20 Li4 N8 O12 -","4","1","KP2421","Starosta, Wojciech; Leciejewicz, Janusz","Poly[μ~2~-aqua-μ~2~-(pyrazine-2-carboxylato)-lithium]","Acta Crystallographica Section E","2012","68","7","m933","m934","10.1107/S1600536812024683","","","0.71073","MoKα","","0.0763","0.0412","","","0.0916","0.1156","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235532","14.3582","0.0005","10.3377","0.0003","20.6302","0.0009","90","","105.615","0.001","90","","2949.14","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-3,4,5,6- tetrahydropyrimidin-1-ium tetraphenylborate","","- C35 H42 B N3 O2 -","- C35 H42 B N3 O2 -","- C140 H168 B4 N12 O8 -","4","1","KP2422","Tiritiris, Ioannis; Kantlehner, Willi","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium tetraphenylborate","Acta Crystallographica Section E","2012","68","7","o2002","","10.1107/S1600536812023951","","","0.71073","MoKα","","0.0649","0.0403","","","0.0881","0.097","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235533","8.0657","0.0004","12.4288","0.0006","13.184","0.0006","90","","96.37","0.003","90","","1313.5","0.11","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-bromido-bis[benzyl(diethyl ether)magnesium]","","- C22 H34 Br2 Mg2 O2 -","- C22 H34 Br2 Mg2 O2 -","- C44 H68 Br4 Mg4 O4 -","2","0.5","KP2423","Nesbit, Mark A.; Gray, Danielle L.; Girolami, Gregory S.","Di-μ-bromido-bis[benzyl(diethyl ether)magnesium]","Acta Crystallographica Section E","2012","68","7","m942","","10.1107/S1600536812025445","","","0.71073","MoKα","","0.0519","0.0313","","","0.0663","0.0726","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235534","16.6807","0.0007","9.7766","0.0004","21.6911","0.0009","90","","110.743","0.003","90","","3308.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-\ [3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate","","- C37 H50 B N5 O -","- C37 H50 B N5 O -","- C148 H200 B4 N20 O4 -","4","1","KP2424","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate","Acta Crystallographica Section E","2012","68","7","o2223","","10.1107/S1600536812027067","","","0.71073","MoKα","","0.0585","0.0409","","","0.0965","0.1069","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235535","8.4189","0.0006","8.5894","0.0006","11.0089","0.0008","90","","106.858","0.005","90","","761.88","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2- (<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidino)ethyl]guanidine","","- C12 H28 N6 -","- C12 H28 N6 -","- C24 H56 N12 -","2","0.5","KP2426","Tiritiris, Ioannis; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[2-(<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidino)ethyl]guanidine","Acta Crystallographica Section E","2012","68","7","o2161","","10.1107/S1600536812027079","","","0.71073","MoKα","","0.0638","0.0363","","","0.0867","0.096","","","","","","0.863","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235536","6.2272","0.0002","18.1729","0.0007","14.3213","0.0005","90","","102.118","0.004","90","","1584.58","0.1","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine","","- C18 H23 N3 -","- C18 H23 N3 -","- C72 H92 N12 -","4","1","LD2063","Akerman, Matthew P.; Chipangura, Mathias; Mambanda, Allen; Jaganyi, Deogratius","<i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine","Acta Crystallographica Section E","2012","68","7","o2194","o2195","10.1107/S1600536812027572","","","0.71073","MoKα","","0.0471","0.0381","","","0.0827","0.0853","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235537","7.2126","0.0002","10.3607","0.0003","11.1748","0.0003","112.987","0.002","90.34","0.002","107.903","0.002","723.93","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C16 H13 Br O3 S -","- C16 H13 Br O3 S -","- C32 H26 Br2 O6 S2 -","2","1","LD2064","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","7","o2143","","10.1107/S1600536812026918","","","0.71073","MoKα","","0.0455","0.034","","","0.0823","0.0872","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235538","6.7996","0.0004","13.3136","0.0008","11.3167","0.0008","90","","94.449","0.005","90","","1021.38","0.11","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>R</i>,3<i>R</i>,3a<i>S</i>,8a<i>R</i>)-4-Oxo-3-phenyl-1-[(1<i>R</i>)- 1-phenylethyl]decahydrocyclohepta[<i>b</i>]pyrrol-1-ium bromide","","- C23 H28 Br N O -","- C23 H28 Br N O -","- C46 H56 Br2 N2 O2 -","2","1","LD2065","Rybakov, Victor B.; Belov, Dmitry S.; Lukyanenko, Evgeny R.; Kurkin, Alexander V.; Yurovskaya, Marina A.","(1<i>R</i>,3<i>R</i>,3a<i>S</i>,8a<i>R</i>)-4-Oxo-3-phenyl-1-[(1<i>R</i>)-1-phenylethyl]decahydrocyclohepta[<i>b</i>]pyrrol-1-ium bromide","Acta Crystallographica Section E","2012","68","7","o2227","","10.1107/S1600536812028073","","","0.71073","MoKα","","0.0694","0.043","","","0.094","0.1043","","","","","","0.974","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235539","9.6627","0.0005","12.1821","0.0007","10.9665","0.0006","90","","109.584","0.001","90","","1216.21","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[<i>trans</i>-bis(cyclohexane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>)cadmium]-μ-iodido-(diiodidocadmium)-μ-iodido]","","- C12 H28 Cd2 I4 N4 -","- C12 H28 Cd2 I4 N4 -","- C24 H56 Cd4 I8 N8 -","2","1","LH5467","Cui, Sheng-Feng; Wen, Qin-Mei; Zhou, Cheng-He","<i>catena</i>-Poly[[<i>trans</i>-bis(cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>)cadmium]-μ-iodido-(diiodidocadmium)-μ-iodido]","Acta Crystallographica Section E","2012","68","7","m889","","10.1107/S1600536812024828","","","0.71073","MoKα","","0.0219","0.0214","","","0.0495","0.0497","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235540","11.1783","0.001","16.1033","0.0014","15.2165","0.0013","90","","92.838","0.002","90","","2735.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","11-[(<i>E</i>)-2-Fluorobenzylidene]-8-(2-fluorophenyl)-14-hydroxy-6-thia- 3,13-diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa- 1(22),15(23),16,18,20-pentaen-10-one","","- C34 H26 F2 N2 O2 S -","- C34 H26 F2 N2 O2 S -","- C136 H104 F8 N8 O8 S4 -","4","1","LH5479","Kumar, Raju Suresh; Osman, Hasnah; Almansour, Abdulrahman I.; Arshad, Suhana; Razak, Ibrahim Abdul","11-[(<i>E</i>)-2-Fluorobenzylidene]-8-(2-fluorophenyl)-14-hydroxy-6-thia-3,13-diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa-1(22),15(23),16,18,20-pentaen-10-one","Acta Crystallographica Section E","2012","68","7","o2094","o2095","10.1107/S1600536812025512","","","0.71073","MoKα","","0.103","0.054","","","0.1426","0.1725","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235541","12.7937","0.0019","9.2742","0.0016","8.5194","0.0017","90","","104.853","0.002","90","","977.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylanilinium 2-carboxyacetate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","LH5480","Wang, Ying-Chun","4-Methylanilinium 2-carboxyacetate","Acta Crystallographica Section E","2012","68","7","o1984","","10.1107/S1600536812024403","","","0.71073","MoKα","","0.0499","0.0419","","","0.1063","0.1113","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235542","45.655","0.002","4.9113","0.0002","12.5205","0.0007","90","","102.184","0.005","90","","2744.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[μ~2~-aqua-μ~4~-(2-{3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidin- 1-yl}acetato)-sodium]","","- C11 H13 Cl N3 Na O4 -","- C11 H13 Cl N3 Na O4 -","- C88 H104 Cl8 N24 Na8 O32 -","8","1","LH5481","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik; Deshmukh, Madhukar B.","Poly[μ~2~-aqua-μ~4~-(2-{3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidin-1-yl}acetato)-sodium]","Acta Crystallographica Section E","2012","68","7","m891","m892","10.1107/S1600536812025007","","","0.71073","MoKα","","0.0719","0.0461","","","0.1013","0.1124","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235543","7.1089","0.0002","10.4169","0.0003","11.0217","0.0003","69.659","0.002","89.526","0.002","71.632","0.001","721.58","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenylsulfonyl)-5-chloro-2-methyl-1-benzofuran","","- C15 H10 Br Cl O3 S -","- C15 H10 Br Cl O3 S -","- C30 H20 Br2 Cl2 O6 S2 -","2","1","LH5482","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-chloro-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","7","o2027","","10.1107/S1600536812024592","","","0.71073","MoKα","","0.0433","0.0355","","","0.0947","0.0974","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235544","10.1715","0.0002","6.1169","0.0001","11.515","0.0003","90","","110.332","0.002","90","","671.8","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide","","- C14 H20 N2 O2 S -","- C14 H20 N2 O2 S -","- C28 H40 N4 O4 S2 -","2","1","LH5485","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","7","o2032","","10.1107/S1600536812025421","","","1.54184","CuKα","","0.0243","0.0242","","","0.0658","0.066","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235545","7.203","0.0002","5.8778","0.0001","25.1133","0.0005","90","","91.104","0.002","90","","1063.04","0.04","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Bromoacetyl-3-phenylsydnone","4-Bromoacetyl-1,2,3-oxadiazol-3-ylium-5-olate","","- C10 H7 Br N2 O3 -","- C10 H7 Br N2 O3 -","- C40 H28 Br4 N8 O12 -","4","1","LH5486","Fun, Hoong-Kun; Chia, Tze Shyang; Nithinchandra; Kalluraya, Balakrishna; Shetty, Shobhitha","4-Bromoacetyl-3-phenylsydnone","Acta Crystallographica Section E","2012","68","7","o2103","","10.1107/S1600536812026049","","","0.71073","MoKα","","0.0738","0.0591","","","0.1289","0.1332","","","","","","1.231","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235546","8.4617","0.0002","7.7073","0.0002","10.2215","0.0003","90","","98.369","0.002","90","","659.52","0.03","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium chloride","","- C4 H8 Cl N3 O -","- C4 H8 Cl N3 O -","- C16 H32 Cl4 N12 O4 -","4","1","LH5487","Tabatabaee, Masoumeh; Sharif, Mahboubeh A.; Dušek, Michal; Pojarová, Michaela","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium chloride","Acta Crystallographica Section E","2012","68","7","o2183","o2184","10.1107/S1600536812027080","","","1.54178","CuKα","","0.0264","0.0261","","","0.0733","0.0735","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235547","7.2623","0.0002","11.3926","0.0003","15.9191","0.0004","86.157","0.001","80.917","0.002","88.946","0.002","1297.61","0.06","100","1","100","","","","","","","","","5","P -1","-P 1","2","","3,3'-Di-<i>n</i>-propyl-1,1'-(1,3-phenylenedimethylene)di(1<i>H</i>- imidazol-3-ium) bis(hexafluorophosphate)","","- C20 H28 F12 N4 P2 -","- C20 H28 F12 N4 P2 -","- C40 H56 F24 N8 P4 -","2","1","LH5488","Haque, Rosenani A.; Nasri, S. Fatimah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-Di-<i>n</i>-propyl-1,1'-(1,3-phenylenedimethylene)di(1<i>H</i>-imidazol-3-ium) bis(hexafluorophosphate)","Acta Crystallographica Section E","2012","68","7","o2153","","10.1107/S1600536812026955","","","0.71073","MoKα","","0.0777","0.0508","","","0.1132","0.1258","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235548","6.8316","0.0003","8.8893","0.0005","17.5458","0.0015","90","","90.789","0.006","90","","1065.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl 2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazole-1-carboxylate","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C32 H48 N8 O8 S4 -","4","1","LH5490","Lee, Pei-Chi; Guo, Yi-Cin; Huang, Bor-Hunn; Chen, Ming-Jen","<i>tert</i>-Butyl 2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazole-1-carboxylate","Acta Crystallographica Section E","2012","68","7","o2208","","10.1107/S1600536812027924","","","0.71073","MoKα","","0.0894","0.0699","","","0.1904","0.2127","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235549","15.0738","0.0012","10.6511","0.0005","14.3353","0.0008","90","","116.01","0.009","90","","2068.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1<i>Z</i>)-1-[(2<i>E</i>)-3-(4-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1- ylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C21 H14 Br F N4 O4 -","- C21 H14 Br F N4 O4 -","- C84 H56 Br4 F4 N16 O16 -","4","1","LH5491","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Sapnakumari, M.; Sarojini, B. K.; Narayana, B.","(1<i>Z</i>)-1-[(2<i>E</i>)-3-(4-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-ylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2012","68","7","o2193","","10.1107/S1600536812027328","","","0.71073","MoKα","","0.1078","0.0506","","","0.1126","0.1405","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235550","7.123","0.005","10.577","0.004","13.68","0.005","68.256","0.005","88.772","0.006","76.604","0.005","928.9","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-Nitrophenol‒2,4,6-triamino-1,3,5-triazine‒water (2/1/1)","","- C15 H18 N8 O7 -","- C15 H18 N8 O7 -","- C30 H36 N16 O14 -","2","1","LH5493","Kanagathara, N.; Chakkaravarthi, G.; Marchewka, M. K.; Gunasekaran, S.; Anbalagan, G.","4-Nitrophenol‒2,4,6-triamino-1,3,5-triazine‒water (2/1/1)","Acta Crystallographica Section E","2012","68","7","o2286","","10.1107/S1600536812029066","","","0.71073","MoKα","","0.0624","0.043","","","0.1093","0.1224","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235551","26.6927","0.0016","7.7775","0.0004","18.6689","0.0009","90","","90","","90","","3875.7","0.4","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","","- C36 H27 Cl8 Cu2 N4 O4 -","- C36 H27 Cl8 Cu2 N4 O4 -","- C144 H108 Cl32 Cu8 N16 O16 -","4","1","LH5494","Kia, Reza; Kargar, Hadi; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","Acta Crystallographica Section E","2012","68","7","m999","m1000","10.1107/S1600536812028462","","","0.71073","MoKα","","0.0633","0.0411","","","0.077","0.0851","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235552","6.9227","0.0011","11.54","0.002","12.472","0.002","64.771","0.004","80.755","0.005","72.675","0.004","859.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3,3,5,5-Tetramethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C21 H25 N O -","- C21 H25 N O -","- C42 H50 N2 O2 -","2","1","LR2058","Govindaraju, C.; Valliappan, R.; Sundari, V.","3,3,5,5-Tetramethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2012","68","7","o2097","","10.1107/S1600536812018983","","","0.71073","MoKα","","0.0714","0.0563","","","0.1414","0.1521","","","","","","1.152","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235553","4.6733","0.0003","6.6441","0.0005","25.2825","0.0019","86.97","0.006","86.386","0.006","78.087","0.005","765.94","0.1","296","","296","","","","","","","","","6","P -1","-P 1","2","","2-{(<i>E</i>)-[(3-Iodo-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","","- C15 H11 F3 I N O2 -","- C15 H11 F3 I N O2 -","- C30 H22 F6 I2 N2 O4 -","2","1","LR2067","Pekdemir, Merve; Işık, Şamil; Alaman Ağar, Ayşen","2-{(<i>E</i>)-[(3-Iodo-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","Acta Crystallographica Section E","2012","68","7","o2148","","10.1107/S1600536812026876","","","0.71073","MoKα","","0.0435","0.0375","","","0.1034","0.107","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235554","6.753","0.0004","7.5024","0.0004","8.4439","0.0005","81.895","0.002","82.215","0.001","66.769","0.002","387.69","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nicotinium nitrate","3-Carboxypyridinium nitrate","","- C6 H6 N2 O5 -","- C6 H6 N2 O5 -","- C12 H12 N4 O10 -","2","1","LX2240","Al-Farhan, Khalid; Khair, Miftahul; Ghazzali, Mohamed","3-Carboxypyridinium nitrate","Acta Crystallographica Section E","2012","68","7","o2246","","10.1107/S1600536812028565","","","0.71075","MoKα","","0.0768","0.0497","","","0.1245","0.1448","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235555","25.901","0.003","6.2097","0.0007","8.608","0.0009","90","","103.258","0.009","90","","1347.6","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","6-Nicotinamido-2-naphthoic acid","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","MW2071","Song, Yun-Sung; Lee, Soon W.","6-Nicotinamido-2-naphthoic acid","Acta Crystallographica Section E","2012","68","7","o1978","","10.1107/S1600536812024051","","","0.71073","MoKα","","0.0362","0.0336","","","0.0903","0.0921","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235556","3.9796","0.0003","22.2266","0.0019","12.2484","0.001","90","","95.027","0.001","90","","1079.24","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(<i>E</i>)-Benzylidene]indolin-2-one","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","MW2072","Asiri, Abdullah M.; Zayed, Mohie E. M.; Ng, Seik Weng; Tiekink, Edward R. T.","3-[(<i>E</i>)-Benzylidene]indolin-2-one","Acta Crystallographica Section E","2012","68","7","o2020","","10.1107/S1600536812024762","","","0.71073","MoKα","","0.0439","0.0381","","","0.1015","0.107","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235557","13.3384","0.0009","8.5634","0.0005","14.1021","0.0008","90","","99.34","0.002","90","","1589.42","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>-bis(5-methoxy-2-hydroxybenzyl)methylamine","4,4'-Dimethoxy-2,2'-[methylazanediylbis(methylene)]diphenol","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","NC2280","Veranitisagul, Chatchai; Kaewvilai, Attaphon; Duangthongyou, Tanwawan; Koonsaeng, Nattamon; Laobuthee, Apirat","4,4'-Dimethoxy-2,2'-[methylazanediylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","7","o2139","","10.1107/S1600536812026694","","","0.71073","MoKα","","0.0637","0.0457","","","0.1376","0.1604","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235558","4.7661","0.0004","22.8201","0.0018","10.7793","0.0007","90","","92.704","0.007","90","","1171.08","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Methyl-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","NC2283","Ceylan, Ümit; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(<i>E</i>)-4-Methyl-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","7","o2116","","10.1107/S1600536812026062","","","0.71073","MoKα","","0.0929","0.0628","","","0.1505","0.1768","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235559","9.1623","0.0008","10.13","0.001","13.446","0.001","73.212","0.009","70.276","0.008","66.772","0.008","1061.9","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(4-methylphenyl)thiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","2","NC2284","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(4-methylphenyl)thiourea","Acta Crystallographica Section E","2012","68","7","o2128","","10.1107/S1600536812026244","","","0.71073","MoKα","","0.0592","0.0409","","","0.1003","0.112","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235560","5.0552","0.0007","9.869","0.002","12.028","0.003","106.71","0.01","91.01","0.01","94.57","0.01","572.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(2,3-dimethylphenyl)thiourea","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C22 H28 N4 O2 S2 -","2","1","NC2285","Kumar, Sharatha; Foro, Sabine; Gowda, B. Thimme","3-Acetyl-1-(2,3-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","7","o2191","","10.1107/S1600536812027973","","","0.71073","MoKα","","0.1153","0.0648","","","0.1232","0.1408","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235561","5.417","0.003","12.254","0.006","17.505","0.011","90","","96.46","0.03","90","","1154.6","1.1","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2-Bromoethyl)-9<i>H</i>-carbazole","","- C14 H12 Br N -","- C14 H12 Br N -","- C56 H48 Br4 N4 -","4","1","NG5265","Zhao, Bao-Hua; Zhu, Xiao-Fei; Guan, Shuang; Li, Dong-Feng","9-(2-Bromoethyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","7","o2026","","10.1107/S1600536812024397","","","0.71073","MoKα","","0.0452","0.0321","","","0.076","0.0823","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235562","7.549","0.005","12.23","0.005","12.308","0.005","90","","90","","90","","1136.3","1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(3-Methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole","","- C13 H13 B N2 O -","- C13 H13 B N2 O -","- C52 H52 B4 N8 O4 -","4","1","NK2170","Robinson, Ross S.; Sithebe, Siphamandla; Akerman, Matthew P.","2-(3-Methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole","Acta Crystallographica Section E","2012","68","7","o2241","","10.1107/S1600536812028437","","","0.71073","MoKα","","0.0377","0.0344","","","0.0928","0.094","","","","","","1.045","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2235563","9.758","0.001","10.702","0.001","20.187","0.002","90","","110.124","0.003","90","","1979.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-[4-(4-Nitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane iodide","","- C18 H28 I N5 O2 -","- C18 H28 I N5 O2 -","- C72 H112 I4 N20 O8 -","4","1","NR2029","Peuronen, Anssi; Lahtinen, Manu","1-{2-[4-(4-Nitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane iodide","Acta Crystallographica Section E","2012","68","7","o1986","","10.1107/S1600536812024531","","","0.71069","MoKα","","0.0348","0.029","","","0.0569","0.0597","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235564","6.7767","0.0008","21.5081","0.0016","8.3635","0.0012","90","","118.109","0.009","90","","1075.2","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(diethylenetriamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)]-μ-cyanido- κ^2^<i>C</i>:<i>N</i>] perchlorate]","","- C5 H13 Cl Cu N4 O4 -","- C5 H13 Cl Cu N4 O4 -","- C20 H52 Cl4 Cu4 N16 O16 -","4","1","PK2408","Corfield, Peter W. R.; Yang, Sylvia C.","<i>catena</i>-Poly[[[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>] perchlorate]","Acta Crystallographica Section E","2012","68","7","m872","m873","10.1107/S1600536812023987","","","1.5418","CuKα","","0.0331","0.0306","","","0.0834","0.0847","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235565","11.28642","0.00013","10.98496","0.00014","10.58826","0.00012","90","","90","","90","","1312.74","0.03","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide","","- C H4 F2 N2 O4 S2 -","- C H4 F2 N2 O4 S2 -","- C8 H32 F16 N16 O32 S16 -","8","2","PK2414","Finze, Maik; Reiss, Guido J.","Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide","Acta Crystallographica Section E","2012","68","7","o1992","o1993","10.1107/S1600536812024221","","","0.71073","MoKα","","0.0194","0.0189","","","0.0482","0.0485","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235566","6.2344","0.0009","6.8196","0.0011","11.5833","0.0018","105.285","0.004","96.061","0.004","97.809","0.004","465.47","0.12","200","","200","2","","","","","","","","6","P -1","-P 1","2","cis-platin","<i>cis</i>-Diamminedichloridoplatinum(II) <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C3 H13 Cl2 N3 O Pt -","- C3 H13 Cl2 N3 O Pt -","- C6 H26 Cl4 N6 O2 Pt2 -","2","1","PK2417","Johnston, Dean H.; Miller, Nathanael A.; Tackett, Cory B.","<i>cis</i>-Diamminedichloridoplatinum(II) <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","7","m863","m864","10.1107/S1600536812024014","","","0.71073","MoKα","","0.0306","0.0279","","","0.0713","0.0724","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235567","7.8809","0.0004","18.0518","0.001","20.1883","0.0011","90","","90","","90","","2872.1","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","sjfbk04","Dichlorido-1κ<i>Cl</i>,3κ<i>Cl</i>-hexakis[1,1,2,2,3,3(η^5^)-cyclopentadienyl]di-μ~2~-oxido-1:2κ^2^<i>O</i>:<i>O</i>;2:3κ^2^<i>O</i>:<i>O</i>-trizirconium(IV)","","- C30 H30 Cl2 O2 Zr3 -","- C30 H30 Cl2 O2 Zr3 -","- C120 H120 Cl8 O8 Zr12 -","4","0.5","PK2418","Kraft, Bradley M.; Brennessel, William W.","Dichlorido-1κ<i>Cl</i>,3κ<i>Cl</i>-hexakis[1,1,2,2,3,3(η^5^)-cyclopentadienyl]di-μ~2~-oxido-1:2κ^2^<i>O</i>:<i>O</i>;2:3κ^2^<i>O</i>:<i>O</i>-trizirconium(IV)","Acta Crystallographica Section E","2012","68","7","m893","","10.1107/S1600536812024968","","","0.71073","MoKα","","0.082","0.0403","","","0.0835","0.1004","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235568","5.8337","0.001","6.1408","0.0009","17.941","0.003","81.468","0.012","87.335","0.014","62.606","0.013","564.15","0.17","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(2-<i>tert</i>-Butyl-5-hydroxymethyl-1,3-dioxan-5-yl)methanol","","- C10 H20 O4 -","- C10 H20 O4 -","- C20 H40 O8 -","2","1","PK2419","Vargas, Berenice; Olivas, Amelia; Aguirre, Gerardo; Madrigal, Domingo","(2-<i>tert</i>-Butyl-5-hydroxymethyl-1,3-dioxan-5-yl)methanol","Acta Crystallographica Section E","2012","68","7","o2049","","10.1107/S160053681202541X","","","0.71073","MoKα","","0.0663","0.0535","","","0.1792","0.1933","","","","","","1.415","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235569","9.0683","0.0019","13.5177","0.0016","10.9203","0.0017","90","","94.042","0.014","90","","1335.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-3-nitropyridinium 4-hydroxybenzenesulfonate","","- C11 H11 N3 O6 S -","- C11 H11 N3 O6 S -","- C44 H44 N12 O24 S4 -","4","1","PK2420","Lv, Yao-hui; Zhang, Wei; Liu, Hong","2-Amino-3-nitropyridinium 4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2169","","10.1107/S1600536812027651","","","0.71073","MoKα","","0.0234","0.0232","","","0.0627","0.0629","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235570","4.7913","0.0002","8.868","0.0004","10.6156","0.0005","90","","101.115","0.005","90","","442.59","0.04","292","2","292","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Co2V2Se2O11","dicobalt(II) divanadium(V) diselenium(IV) undecaoxide","","- Co2 O11 Se2 V2 -","- Co2 O11 Se2 V2 -","- Co4 O22 Se4 V4 -","2","0.5","PK2421","Rabbani, Faiz; Zimmermann, Iwan; Johnsson, Mats","The synthetic cobalt vanadium selenite, Co~2~V~2~Se~2~O~11~","Acta Crystallographica Section E","2012","68","7","i61","","10.1107/S1600536812027286","","","0.71073","MoKα","","0.0585","0.0317","","","0.0453","0.0479","","","","","","0.76","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235571","10.3141","0.0005","34.7124","0.0016","8.3792","0.0004","90","","114.321","0.006","90","","2733.7","0.3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline- κ^2^<i>N</i>,<i>N</i>']iodido(triphenylphosphane-κ<i>P</i>)copper(I)","","- C30 H24 Br Cu I N2 P -","- C30 H24 Br Cu I N2 P -","- C120 H96 Br4 Cu4 I4 N8 P4 -","4","1","PK2426","Khalaji, Aliakbar Dehno; Bahramian, Bahram; Jafari, Khadijeh; Fejfarová, Karla; Dušek, Michal","[4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']iodido(triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2012","68","7","m1001","m1002","10.1107/S160053681202884X","","","0.7107","MoKα","","0.0593","0.0379","","","0.0941","0.1096","","","","","","1.19","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235572","8.202","0.0006","9.8957","0.0008","27.972","0.002","90","","90","","90","","2270.3","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-acetoxy-11β-hydroxy-6α-methylpregn-4-ene-3,20-dione","","- C24 H34 O5 -","- C24 H34 O5 -","- C96 H136 O20 -","4","1","PV2530","Yousuf, Sammer; Bano, Saira; Choudhary, M. Iqbal","17α-Acetoxy-11β-hydroxy-6α-methylpregn-4-ene-3,20-dione","Acta Crystallographica Section E","2012","68","7","o2006","","10.1107/S1600536812017631","","","0.71073","MoKα","","0.0686","0.0427","","","0.0897","0.1006","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235573","13.459","0.0002","15.4688","0.0003","17.6599","0.0004","90.281","0.001","98.468","0.001","115.58","0.001","3270.49","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Octakis(dimethyl sulfoxide-κ<i>O</i>)cerium(III) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxidohexamolybdate(VI) dimethyl sulfoxide tetrasolvate","","- C40 H120 Ce2 Mo18 O77 S20 -","- C32 H96 Ce2 Mo18 O73 S16 -","- C32 H96 Ce2 Mo18 O73 S16 -","1","0.5","PV2546","Ben Khélifa, Arbia; Giorgi, Michel; Belkhiria, Mohamed Salah","Octakis(dimethyl sulfoxide-κ<i>O</i>)cerium(III) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxidohexamolybdate(VI) dimethyl sulfoxide tetrasolvate","Acta Crystallographica Section E","2012","68","7","m938","m939","10.1107/S1600536812025949","","","0.71073","MoKα","","0.0759","0.0597","","","0.1518","0.1589","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235574","10.5104","0.0012","11.5726","0.0014","15.4401","0.0018","90","","90","","90","","1878","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,5a,9-Trimethyl-8-(2-phenylhydrazin-1-ylidene)-4,5,5a,9b- tetrahydro-3a<i>H</i>,8<i>H</i>-naphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","PV2547","Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A.","3,5a,9-Trimethyl-8-(2-phenylhydrazin-1-ylidene)-4,5,5a,9b-tetrahydro-3a<i>H</i>,8<i>H</i>-naphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2112","","10.1107/S1600536812023847","","","0.71073","MoKα","","0.0769","0.0433","","","0.0853","0.0991","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235575","5.466","0.0011","6.851","0.0014","22.704","0.005","90","","90.45","0.03","90","","850.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]benzene-1,4-diamine","","- C20 H18 N4 -","- C20 H18 N4 -","- C40 H36 N8 -","2","0.5","PV2550","Zhou, Wei; Fan, Rui-Qing; Wang, Ping; Yang, Yu-Lin","<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]benzene-1,4-diamine","Acta Crystallographica Section E","2012","68","7","o2086","","10.1107/S1600536812025834","","","0.71073","MoKα","","0.0839","0.0515","","","0.1398","0.1546","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235576","11.135","0.007","9.22","0.006","21.452","0.015","90","","93.68","0.012","90","","2198","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-{[Ethane-1,2-diylbis(oxy)]bis(ethane-2,1-diyl)}bis(4- methylbenzenesulfonamide)","","- C20 H28 N2 O6 S2 -","- C20 H28 N2 O6 S2 -","- C80 H112 N8 O24 S8 -","4","0.5","PV2551","Al-Mohammed, Nassir N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","<i>N</i>,<i>N</i>'-{[Ethane-1,2-diylbis(oxy)]bis(ethane-2,1-diyl)}bis(4-methylbenzenesulfonamide)","Acta Crystallographica Section E","2012","68","7","o1983","","10.1107/S1600536812024324","","","0.71073","MoKα","","0.0679","0.0533","","","0.139","0.1504","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235577","4.6448","0.0001","8.0792","0.0001","22.7335","0.0004","90","","93.554","0.001","90","","851.46","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Chloroethyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","","- C7 H7 Cl N4 O -","- C7 H7 Cl N4 O -","- C28 H28 Cl4 N16 O4 -","4","1","PV2552","Khazi, Mohammed Iqbal A.; Fathima, Nikhath; Belavagi, Ningaraddi S.; Begum, Noor Shahina; Khazi, I. M.","1-(2-Chloroethyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2083","","10.1107/S1600536812025184","","","0.71073","MoKα","","0.0396","0.0345","","","0.0946","0.1001","","","","","","0.87","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235578","13.7771","0.0002","8.4961","0.0001","18.5878","0.0002","90","","97.559","0.001","90","","2156.82","0.05","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-(phenylsulfanyl)pyrimidine- 5-carbonitrile","","- C22 H20 Cl N3 S2 -","- C22 H20 Cl N3 S2 -","- C88 H80 Cl4 N12 S8 -","4","1","PV2554","El-Emam, Ali A.; Al-Deeb, Omar A.; Al-Turkistani, Abdulghafoor A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(4-Chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-(phenylsulfanyl)pyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","7","o2055","o2056","10.1107/S1600536812025810","","","1.54184","CuKα","","0.0439","0.0411","","","0.1135","0.1166","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235579","16.7593","0.001","11.4989","0.0006","17.146","0.001","90","","90.449","0.002","90","","3304.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","{2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone","","- C40 H44 O3 -","- C39.999 H44 O3 -","- C159.996 H176 O12 -","4","1","PV2555","Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","{2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone","Acta Crystallographica Section E","2012","68","7","o2141","","10.1107/S1600536812026773","","","0.71073","MoKα","","0.0834","0.0496","","","0.1259","0.1526","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235580","21.5855","0.0012","15.7999","0.0007","14.7469","0.0007","90","","127.207","0.003","90","","4005.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1'-Butyl-2-methyl-1',2,2',3,4,9-hexahydrospiro[benzo[<i>f</i>]isoindole- 1,3'-indole]-2',4,9-trione","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","1","PV2556","Jagadeesan, G.; Sethusankar, K.; Bhaskar, G.; Perumal, P. T.","1'-Butyl-2-methyl-1',2,2',3,4,9-hexahydrospiro[benzo[<i>f</i>]isoindole-1,3'-indole]-2',4,9-trione","Acta Crystallographica Section E","2012","68","7","o2140","","10.1107/S1600536812026748","","","0.71073","MoKα","","0.0713","0.0517","","","0.1532","0.1775","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235581","8.6224","0.0002","7.114","0.0001","10.021","0.0002","90","","106.707","0.002","90","","588.74","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(11<i>R</i>,12<i>S</i>)-16-Aminotetracyclo[6.6.2.0^2,7^.0^9,14^]hexadeca- 2(7),3,5,9(14),10,12-hexaen-15-ol","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","1","PV2558","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.; Ng, Seik Weng; Tiekink, Edward R. T.","(11<i>R</i>,12<i>S</i>)-16-Aminotetracyclo[6.6.2.0^2,7^.0^9,14^]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ol","Acta Crystallographica Section E","2012","68","7","o2137","","10.1107/S1600536812026542","","","1.54184","CuKα","","0.0292","0.029","","","0.0769","0.0771","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235582","10.851","0.0004","11.1669","0.0004","11.2736","0.0004","103.087","0.002","97.367","0.002","93.402","0.002","1314.05","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","11-[1-(4-Methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-14-methyl-12-oxa-8,14- diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C60 H54 N6 O12 -","2","1","PV2559","Sundaramoorthy, S.; Rajesh, R.; Raghunathan, R.; Velmurugan, D.","11-[1-(4-Methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione","Acta Crystallographica Section E","2012","68","7","o2202","","10.1107/S160053681202733X","","","0.71073","MoKα","","0.0621","0.0415","","","0.1016","0.1141","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235583","11.4251","0.0013","7.8362","0.0008","32.041","0.004","90","","91.313","0.008","90","","2867.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-18-oxo- 10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12(17),13,15- triene-8-carboxylate","","- C34 H32 N2 O8 -","- C34 H32 N2 O8 -","- C136 H128 N8 O32 -","4","1","PV2560","Sundaramoorthy, S.; Rajesh, R.; Raghunathan, R.; Velmurugan, D.","Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-18-oxo-10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12(17),13,15-triene-8-carboxylate","Acta Crystallographica Section E","2012","68","7","o2200","o2201","10.1107/S1600536812027341","","","0.71073","MoKα","","0.1446","0.0544","","","0.108","0.1411","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235584","6.5442","0.0008","11.0267","0.0014","8.0991","0.001","90","","111.402","0.002","90","","544.14","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-Hydroxy-6-[(<i>E</i>)-2-phenylethenyl]-5,6-dihydro-2<i>H</i>-pyran-2-one","","- C13 H12 O3 -","- C13 H12 O3 -","- C26 H24 O6 -","2","1","PV2562","Jusoh, Samsiah; Din, Laily B.; Zakaria, Zuriati; Khaledi, Hamid","5-Hydroxy-6-[(<i>E</i>)-2-phenylethenyl]-5,6-dihydro-2<i>H</i>-pyran-2-one isolated from <i>Goniothalamus ridleyi</i>","Acta Crystallographica Section E","2012","68","7","o2274","","10.1107/S1600536812028334","","","0.71073","MoKα","","0.0277","0.0267","","","0.0678","0.0689","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235585","10.9928","0.0019","10.9928","0.0019","21.4549","0.0019","90","","90","","90","","2592.6","0.7","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Tetrakis[μ-<i>N</i>-(2,4,6-trimethylphenyl)acetamidato]- κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile- κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)","","- C58 H66 N6 O4 Rh2 -","- C58 H66 N6 O4 Rh2 -","- C116 H132 N12 O8 Rh4 -","2","0.25","QK2033","Eagle, Cassandra T.; Kpogo, Kenneth K.; Zink, Landon C.; Smith, Albert E.","Tetrakis[μ-<i>N</i>-(2,4,6-trimethylphenyl)acetamidato]-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section E","2012","68","7","m877","","10.1107/S1600536812024518","","","0.71075","MoKα","","0.0727","0.0359","","","0.0651","0.074","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235586","10.998","0.002","7.4536","0.0015","12.271","0.003","90","","95.86","0.03","90","","1000.7","0.4","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate","","- C14 H24 N2 Ni O12 -","- C14 H24 N2 Ni O12 -","- C28 H48 N4 Ni2 O24 -","2","1","QK2036","Wang, Huan-Huan; Duan, Guang-He; Wang, Lin; Xie, Ya-Bo","Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","7","m964","","10.1107/S1600536812027122","","","0.71073","MoKα","","0.0187","0.0183","","","0.0434","0.0436","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235587","7.949","0.002","10.191","0.003","10.844","0.004","80.784","0.006","74.302","0.006","79.772","0.006","826.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis{<i>N</i>-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido- κ^2^<i>N</i>,<i>O</i>}copper(II)","","- C36 H40 Cu N4 O4 -","- C36 H40 Cu N4 O4 -","- C36 H40 Cu N4 O4 -","1","0.5","QM2070","Yusof, M. Sukeri M.; Kadir, Maisara A.; Yamin, Bohari M.","Bis{<i>N</i>-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido-κ^2^<i>N</i>,<i>O</i>}copper(II)","Acta Crystallographica Section E","2012","68","7","m894","","10.1107/S1600536812025081","","","0.71073","MoKα","","0.0914","0.0634","","","0.1766","0.1975","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235588","12.1229","0.0003","15.4518","0.0004","23.6868","0.0006","90","","103.894","0.003","90","","4307.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>n</i>-Butyldichlorido{4-cyclohexyl-1-[1-(pyridin-2-yl- κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}tin(IV)","","- C18 H28 Cl2 N4 S Sn -","- C18 H28 Cl2 N4 S Sn -","- C144 H224 Cl16 N32 S8 Sn8 -","8","2","QM2072","Affan, Md. Abu; Salam, Md. Abdus; Asaruddin, Mohd Razip; Ng, Seik Weng; Tiekink, Edward R. T.","<i>n</i>-Butyldichlorido{4-cyclohexyl-1-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}tin(IV)","Acta Crystallographica Section E","2012","68","7","m909","m910","10.1107/S1600536812025937","","","0.71073","MoKα","","0.044","0.0347","","","0.0792","0.0851","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235589","6.2414","0.0002","11.3954","0.0005","15.5563","0.0007","78.386","0.002","87.165","0.002","77.046","0.002","1056.17","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1'-Methyl-4'-(4-methylphenyl)dispiro[indane-2,3'-pyrrolidine-2',3''- indoline]-1,2''-dione","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C54 H48 N4 O4 -","2","1","QM2073","Moustafa, A. M.; Girgis, Adel S.; Shalaby, S. M.; Tiekink, Edward R. T.","1'-Methyl-4'-(4-methylphenyl)dispiro[indane-2,3'-pyrrolidine-2',3''-indoline]-1,2''-dione","Acta Crystallographica Section E","2012","68","7","o2197","o2198","10.1107/S1600536812028012","","","0.71073","MoKα","","0.1641","0.0617","","","0.1175","0.154","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235590","6.2664","0.0012","7.1342","0.0012","20.41","0.002","90","","90","","90","","912.4","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium 4-methoxybenzenesulfonate","","- C7 H11 N O4 S -","- C7 H11 N O4 S -","- C28 H44 N4 O16 S4 -","4","1","QM2074","Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Ammonium 4-methoxybenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2228","o2229","10.1107/S1600536812028103","","","0.71073","MoKα","","0.0473","0.042","","","0.1164","0.1191","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235591","22.805","0.002","8.8154","0.0008","16.7462","0.0015","90","","131.448","0.007","90","","2523.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{4-[(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl)selanyl]-3,5-dimethyl- 1<i>H</i>-pyrazol-2-ium} chloride monohydrate","","- C20 H31 Cl N8 O Se2 -","- C20 H31 Cl N8 O Se2 -","- C80 H124 Cl4 N32 O4 Se8 -","4","0.5","RK2354","Seredyuk, Maksym; Pavlenko, Vadim A.; Znovjyak, Kateryna O.; Gumienna-Kontecka, Elzbieta; Penkova, Larysa","Bis{4-[(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl)selanyl]-3,5-dimethyl-1<i>H</i>-pyrazol-2-ium} chloride monohydrate","Acta Crystallographica Section E","2012","68","7","o2068","","10.1107/S1600536812025640","","","0.71073","MoKα","","0.0683","0.0442","","","0.1001","0.1073","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235592","6.324","0.0007","12.9391","0.0014","16.424","0.0018","90","","100.922","0.002","90","","1319.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(pyridine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)tin(IV)","","- C10 H8 Cl2 N2 S2 Sn -","- C10 H8 Cl2 N2 S2 Sn -","- C40 H32 Cl8 N8 S8 Sn4 -","4","0.5","RK2356","Ismaylova, Sheyda R.; Matsulevich, Zhanna V.; Borisova, Galina N.; Borisov, Alexander V.; Khrustalev, Victor N.","Dichloridobis(pyridine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)tin(IV): a new polymorph","Acta Crystallographica Section E","2012","68","7","m875","m876","10.1107/S1600536812024026","","","0.71073","MoKα","","0.0206","0.0202","","","0.0493","0.0497","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235593","8.962","0.002","8.851","0.002","12.481","0.003","90","","101.751","0.003","90","","969.3","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Methyl-3-(1<i>H</i>-pyrazol-3-yl)imidazo[1,2-<i>a</i>]pyrimidine","","- C10 H9 N5 -","- C10 H9 N5 -","- C40 H36 N20 -","4","1","RK2359","Gao, Guo-Rui; Duan, Wen-Hu","2-Methyl-3-(1<i>H</i>-pyrazol-3-yl)imidazo[1,2-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2012","68","7","o1977","","10.1107/S1600536812024166","","","0.71073","MoKα","","0.0632","0.0506","","","0.1206","0.1278","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235594","9.8731","0.0006","9.8731","0.0006","14.2455","0.0017","90","","90","","90","","1388.6","0.2","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","(<i>Z</i>)-3-<i>o</i>-Tolyl-3-(<i>p</i>-tolyloxy)acrylonitrile","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","RK2361","Zhou, Li; Wang, Chuan-Hu; Zhou, Mi","(<i>Z</i>)-3-<i>o</i>-Tolyl-3-(<i>p</i>-tolyloxy)acrylonitrile","Acta Crystallographica Section E","2012","68","7","o2085","","10.1107/S1600536812025858","","","0.71073","MoKα","","0.0538","0.0405","","","0.1011","0.111","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235595","10.7599","0.0003","13.0389","0.0003","17.9453","0.0005","90.447","0.002","98.415","0.002","108.904","0.002","2352.13","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Benzoylbenzoyl)-<i>N</i>,<i>N</i>-diphenylaniline","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C128 H92 N4 O8 -","4","2","RK2362","Narayanan, P.; Sethusankar, K.; Nandakumar, M.; Mohanakrishnan, A. K.","4-(2-Benzoylbenzoyl)-<i>N</i>,<i>N</i>-diphenylaniline","Acta Crystallographica Section E","2012","68","7","o2035","","10.1107/S160053681202466X","","","0.71073","MoKα","","0.0586","0.0364","","","0.0833","0.0966","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235596","9.4825","0.0019","10.616","0.002","13.08","0.003","78.96","0.03","68.76","0.03","76.85","0.03","1186.4","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-adipato-κ^4^<i>O</i>^1^:<i>O</i>^6^-bis{aqua[5,6-diphenyl-3-(pyridin-2- yl)-1,2,4-triazine-κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(II)}","","- C52 H48 Cu2 N8 O10 -","- C52 H48 Cu2 N8 O10 -","- C52 H48 Cu2 N8 O10 -","1","0.5","RK2363","Xu, Wei; Qi, Jin‒Li","Di-μ-adipato-κ^4^<i>O</i>^1^:<i>O</i>^6^-bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine-κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(II)}","Acta Crystallographica Section E","2012","68","7","m906","","10.1107/S1600536812025676","","","0.71073","MoKα","","0.112","0.0568","","","0.1124","0.1349","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235597","5.7768","0.0005","12.145","0.0011","14.8194","0.0013","78.207","0.004","89.641","0.003","77.601","0.004","993.26","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-[(<i>E</i>)-(Pyridin-3-ylimino)methyl]phenol","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","2","RK2365","Tahir, M. Nawaz; Ali, Akbar; Umar, M. Naveed; Hussain, Ishtiaq; Shad, Hazoor Ahmad","3-[(<i>E</i>)-(Pyridin-3-ylimino)methyl]phenol","Acta Crystallographica Section E","2012","68","7","o2072","","10.1107/S1600536812025822","","","0.71073","MoKα","","0.0701","0.044","","","0.1042","0.1178","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235598","6.5368","0.0002","10.7228","0.0005","13.0666","0.0004","90","","90","","90","","915.87","0.06","150","2","150","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","dipotassium divanadium dioxide diarsenate","","- As2 K2 O10 V2 -","- As2 K2 O10 V2 -","- As8 K8 O40 V8 -","4","1","RU2035","Belkhiri, Sabrina; Mezaoui, Djillali; Roisnel, Thierry","K~2~V~2~O~2~(AsO~4~)~2~","Acta Crystallographica Section E","2012","68","7","i54","","10.1107/S1600536812027183","","","0.71069","MoKα","","0.031","0.0276","","","0.0333","0.0339","","","","","","1.6","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235599","11.3098","0.0019","7.6721","0.0011","7.5467","0.001","90","","105.647","0.002","90","","630.56","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","","- C12 H10 N4 Ni O4 -","- C12 H10 N4 Ni O4 -","- C24 H20 N8 Ni2 O8 -","2","0.5","RU2036","Shi, Qi-Ying; Zhang, Guo-Chun; Zhou, Chun-Sheng; Yang, Qi","Bis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","Acta Crystallographica Section E","2012","68","7","m919","","10.1107/S1600536812024749","","","0.71073","MoKα","","0.0814","0.0621","","","0.1508","0.1756","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235600","9.8566","0.0003","19.9317","0.0007","22.1822","0.0006","90","","93.603","0.003","90","","4349.3","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(5,6-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(hexafluoridophosphate) acetonitrile monosolvate","","- C44 H39 Cu F12 N7 P2 -","- C44 H39 Cu F12 N7 P2 -","- C176 H156 Cu4 F48 N28 P8 -","4","1","RU2037","Toledano-Magaña, Yanis; García-Ramos, Juan-Carlos; García-Manrique, Consuelo; Flores-Alamo, Marcos; Ruiz-Azuara, Lena","Tris(5,6-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(hexafluoridophosphate) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","7","m987","m988","10.1107/S1600536812028267","","","0.71073","MoKα","","0.0654","0.0391","","","0.0911","0.0965","","","","","","0.917","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235601","15.1923","0.0002","11.5954","0.0002","12.3762","0.0002","90","","115.039","0.001","90","","1975.31","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Ethyl-<i>N</i>- phenyl{[ethyl(phenyl)carbamothioyl]disulfanyl}carbothioamide","","- C18 H20 N2 S4 -","- C18 H20 N2 S4 -","- C72 H80 N8 S16 -","4","0.5","RU2038","Ajibade, Peter A.; Ejelonu, Benjamin C.; Omondi, Bernard","<i>N</i>-Ethyl-<i>N</i>-phenyl{[ethyl(phenyl)carbamothioyl]disulfanyl}carbothioamide","Acta Crystallographica Section E","2012","68","7","o2182","","10.1107/S1600536812027808","","","0.71073","MoKα","","0.0247","0.024","","","0.0662","0.0675","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235602","11.546","0.003","27.134","0.007","12.149","0.003","90","","110.372","0.004","90","","3568.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[6,13-Bis(2,4-dichlorobenzoyl)-5,7,12,14- tetramethyldibenzo[<i>b</i>,<i>i</i>][1,4,8,11]tetraazacyclotetradecinato- κ^4^<i>N</i>]nickel(II) acetone monosolvate","","- C39 H32 Cl4 N4 Ni O3 -","- C39 H32 Cl4 N4 Ni O3 -","- C156 H128 Cl16 N16 Ni4 O12 -","4","1","RZ2759","Jiang, Bo-Kun; Shen, Xuan; Wang, Xin; Su, Fan; Zhu, Dun-Ru","[6,13-Bis(2,4-dichlorobenzoyl)-5,7,12,14-tetramethyldibenzo[<i>b</i>,<i>i</i>][1,4,8,11]tetraazacyclotetradecinato- κ^4^<i>N</i>]nickel(II) acetone monosolvate","Acta Crystallographica Section E","2012","68","7","m871","","10.1107/S1600536812024671","","","0.71073","MoKα","","0.2085","0.0776","","","0.1413","0.1899","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235603","8.9427","0.0002","8.2067","0.0002","18.3536","0.0003","90","","94.415","0.001","90","","1342.97","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-<i>sec</i>-Butyl-1-(2-hydroxyethyl)-1<i>H</i>-benzimidazole-5-carboxylic acid","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","RZ2764","Hamzah, Nurasyikin; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad","2-<i>sec</i>-Butyl-1-(2-hydroxyethyl)-1<i>H</i>-benzimidazole-5-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o1995","","10.1107/S1600536812023884","","","0.71073","MoKα","","0.0387","0.0337","","","0.0837","0.0876","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235604","22.185","0.004","3.7457","0.0006","11.894","0.002","90","","90","","90","","988.4","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(2,4-Difluorophenyl)-5-nitropyridine","","- C11 H6 F2 N2 O2 -","- C11 H6 F2 N2 O2 -","- C44 H24 F8 N8 O8 -","4","1","RZ2765","Sun, Feng; Shen, Xuan; Zhao, Rui; Wang, Xin; Zhu, Dun-Ru","2-(2,4-Difluorophenyl)-5-nitropyridine","Acta Crystallographica Section E","2012","68","7","o2001","","10.1107/S1600536812024713","","","0.71073","MoKα","","0.046","0.0338","","","0.0754","0.081","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235605","9.6203","0.0019","12.87","0.003","21.227","0.004","90","","90","","90","","2628.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-[(2-Methoxybenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9- tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","","- C30 H31 N O8 -","- C30 H31 N O8 -","- C120 H124 N4 O32 -","4","1","RZ2767","Shi, Shaoyu; Tian, Danli; Luo, Gang; Ai, Ting; Chen, Hong","9-[(2-Methoxybenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2045","","10.1107/S160053681202572X","","","0.71073","MoKα","","0.069","0.0503","","","0.1046","0.1141","","","","","","0.89","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235606","8.4816","0.0004","8.8834","0.0004","15.0357","0.0008","85.701","0.001","88.161","0.002","73.684","0.001","1084.12","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis{1-[4-(1<i>H</i>-imidazol-1-yl- κ<i>N</i>^3^)phenyl]ethanone}bis(isothiocyanato-κ<i>N</i>)nickel(II)","","- C46 H40 N10 Ni O4 S2 -","- C46 H40 N10 Ni O4 S2 -","- C46 H40 N10 Ni O4 S2 -","1","0.5","RZ2769","Zhao, Juan; Liu, Bao-Cheng","Tetrakis{1-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]ethanone}bis(isothiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","7","m967","","10.1107/S1600536812027092","","","0.71073","MoKα","","0.127","0.0654","","","0.1614","0.2586","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235607","8.6","0.0009","10.7458","0.0011","19.729","0.002","90","","90","","90","","1823.2","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b- hexahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","RZ2770","Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A.","8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2158","","10.1107/S1600536812027146","","","0.71073","MoKα","","0.0692","0.0412","","","0.0858","0.1012","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235608","8.4375","0.0005","12.0446","0.0007","17.5449","0.001","90","","90.789","0.003","90","","1782.85","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(2-anilino-2-oxoethyl)-1<i>H</i>-imidazol-3-ium chloride","","- C19 H19 Cl N4 O2 -","- C19 H19 Cl N4 O2 -","- C76 H76 Cl4 N16 O8 -","4","1","RZ2771","Liao, Chuang-Yi; Lee, Hon Man","1,3-Bis(2-anilino-2-oxoethyl)-1<i>H</i>-imidazol-3-ium chloride","Acta Crystallographica Section E","2012","68","7","o2232","","10.1107/S1600536812027110","","","0.71073","MoKα","","0.122","0.0464","","","0.0812","0.0963","","","","","","0.915","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235609","8.4176","0.0001","10.6541","0.0001","17.4933","0.0002","90","","90.1","0.001","90","","1568.83","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-1-(4-Bromophenyl)ethylidene]-2-(2-methyl-4-nitro- 1<i>H</i>-imidazol-1-yl)acetohydrazide","","- C14 H14 Br N5 O3 -","- C14 H14 Br N5 O3 -","- C56 H56 Br4 N20 O12 -","4","1","RZ2774","Fun, Hoong-Kun; Quah, Ching Kheng; Frank, Priya V.; Damodara, N.; Kalluraya, Balakrishna","<i>N</i>'-[(<i>E</i>)-1-(4-Bromophenyl)ethylidene]-2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2192","","10.1107/S160053681202795X","","","0.71073","MoKα","","0.0461","0.0316","","","0.0766","0.0818","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235610","27.41","0.0011","7.9055","0.0004","18.8291","0.0007","90","","90","","90","","4080.1","0.3","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrabromo- 2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","","- C36 H27 Br8 Cu2 N4 O4 -","- C36 H27 Br8 Cu2 N4 O4 -","- C144 H108 Br32 Cu8 N16 O16 -","4","1","RZ2776","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","Acta Crystallographica Section E","2012","68","7","m1018","m1019","10.1107/S1600536812029285","","","0.71073","MoKα","","0.0878","0.0422","","","0.0592","0.0677","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235611","18.6118","0.0014","15.051","0.0012","5.9227","0.0005","90","","90.0005","0.0015","90","","1659.1","0.2","100","1","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop- 2-en-1-one","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C84 H72 O8 S4 -","4","2","RZ2777","Fun, Hoong-Kun; Chia, Tze Shyang; Padaki, Mahesh; Isloor, Arun M.; Ismail, A. F.","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","7","o2277","o2278","10.1107/S1600536812028930","","","0.71073","MoKα","","0.0588","0.0546","","","0.1322","0.136","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235612","9.6818","0.0005","9.6818","0.0005","44.017","0.003","90","","90","","90","","4126","0.4","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","3-(1<i>H</i>-Indol-3-yl)-2-(2-nitrobenzenesulfonamido)propanoic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C136 H120 N24 O48 S8 -","8","1","SJ5218","Khan, Islam Ullah; Mubashar-ur-Rehman, Hafiz; Aziz, Salman; Harrison, William T. A.","3-(1<i>H</i>-Indol-3-yl)-2-(2-nitrobenzenesulfonamido)propanoic acid including an unknown solvate","Acta Crystallographica Section E","2012","68","7","o2019","","10.1107/S1600536812023446","","","0.71073","MoKα","","0.0773","0.0666","","","0.162","0.1677","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235613","9.6","0.005","7.548","0.004","25.802","0.014","90","","95.1","0.01","90","","1862.2","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-4-(Dimethylamino)benzylidene]-2-(5-methoxy-2- methyl-1<i>H</i>-indol-3-yl)acetohydrazide","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C84 H96 N16 O8 -","4","1","SJ5239","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A.","<i>N</i>'-[(<i>E</i>)-4-(Dimethylamino)benzylidene]-2-(5-methoxy-2-methyl-1<i>H</i>-indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2099","","10.1107/S1600536812026013","","","0.71075","MoKα","","0.0996","0.0691","","","0.1413","0.1594","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235614","8.7346","0.0004","9.4464","0.0006","13.7373","0.0008","94.258","0.005","103.505","0.005","105.227","0.005","1052.28","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(2-{[4-Oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}ethyl)-2,3- dihydro-1<i>H</i>-isoindole-1,3-dione","","- C26 H21 N3 O3 S -","- C26 H21 N3 O3 S -","- C52 H42 N6 O6 S2 -","2","1","SJ5240","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Al-Obaid, Abdulrahman M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(2-{[4-Oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}ethyl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","Acta Crystallographica Section E","2012","68","7","o2057","o2058","10.1107/S1600536812025883","","","1.54184","CuKα","","0.0622","0.0487","","","0.1254","0.139","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235615","22.296","0.002","8.0444","0.0007","20.915","0.002","90","","98.521","0.006","90","","3709.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazol-3-yl 4-methylbenzenesulfonate","","- C18 H18 N2 O5 S2 -","- C18 H18 N2 O5 S2 -","- C144 H144 N16 O40 S16 -","8","1","SJ5243","Murtaza, Shahzad; Kausar, Naghmana; Tahir, M. Nawaz; Tariq, Javaria; Bibi, Samaira","5-Methyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazol-3-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2196","","10.1107/S1600536812027717","","","0.71073","MoKα","","0.1048","0.0567","","","0.1096","0.1277","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235616","14.1279","0.0009","11.6313","0.0007","15.378","0.0009","90","","93.358","0.001","90","","2522.7","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]- 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate","","- C27 H31 N3 O7 -","- C27 H31 N3 O7 -","- C108 H124 N12 O28 -","4","1","SJ5244","Fun, Hoong-Kun; Ooi, Chin Wei; Garudachari, B.; Shivananda, Kammasandra Nanjunda; Isloor, Arun M.","Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate","Acta Crystallographica Section E","2012","68","7","o2210","o2211","10.1107/S1600536812027936","","","0.71073","MoKα","","0.0601","0.0418","","","0.1159","0.1309","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235617","9.1733","0.0005","12.2369","0.0005","13.0988","0.0006","90","","98.203","0.005","90","","1455.33","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis({2-[(3-amino-2,2- dimethylpropyl)iminomethyl]-6-methoxyphenolato- 1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}copper(II))","","- C26 H38 Cu2 N10 O4 -","- C26 H38 Cu2 N10 O4 -","- C52 H76 Cu4 N20 O8 -","2","0.5","SJ5249","Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T.","Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis({2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}copper(II))","Acta Crystallographica Section E","2012","68","7","m993","m994","10.1107/S1600536812028954","","","0.71073","MoKα","","0.0539","0.0387","","","0.0909","0.1048","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235618","8.7702","0.0006","10.7954","0.0007","11.9203","0.0008","80.409","0.003","80.952","0.003","81.73","0.003","1090.92","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(Aminocarbonyl)pyridinium diaquabis(pyridine-2,6-dicarboxylato)bismuthate(III) monohydrate","","- C20 H19 Bi N4 O12 -","- C20 H19 Bi N4 O12 -","- C40 H38 Bi2 N8 O24 -","2","1","SU2401","Soleimannejad, Janet; Gholizadeh, Samira","3-(Aminocarbonyl)pyridinium diaqua-bis(pyridine-2,6-dicarboxylato)bismuthate(III) monohydrate","Acta Crystallographica Section E","2012","68","7","m952","m953","10.1107/S160053681202630X","","","0.71073","MoKα","","0.0423","0.0397","","","0.1022","0.1038","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235619","6.0798","0.0002","4.8565","0.0001","15.1126","0.0005","90","","98.003","0.002","90","","441.88","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Bromophenyl)acetohydrazide","","- C8 H9 Br N2 O -","- C8 H9 Br N2 O -","- C16 H18 Br2 N4 O2 -","2","1","SU2429","Ahmad, Shakeel; Jabbar, Abdul; Hussain, Muhammad Tahir; Tahir, M. Nawaz","2-(4-Bromophenyl)acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2269","","10.1107/S1600536812027006","","","0.71073","MoKα","","0.0264","0.0233","","","0.0575","0.0585","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235620","4.57","0.0003","9.4947","0.0007","9.892","0.0008","67.986","0.007","77.487","0.006","84.132","0.006","388.37","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>,<i>E</i>)-1,2-Bis[3-(prop-2-yn-1-yloxy)benzylidene]hydrazine","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","1","0.5","SU2430","Al-Mehana, Wisam Naji Atiyah; Yahya, Rosiyah; Sonsudin, Faridah; Lo, Kong Mun","(<i>E</i>,<i>E</i>)-1,2-Bis[3-(prop-2-yn-1-yloxy)benzylidene]hydrazine","Acta Crystallographica Section E","2012","68","7","o2087","","10.1107/S1600536812025524","","","0.71073","MoKα","","0.0478","0.0407","","","0.1141","0.1217","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235621","6.7186","0.001","7.6942","0.0012","8.2462","0.0013","65.29","0.011","75.499","0.012","68.207","0.011","357.28","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","butane-1,4-diyl dinicotinate","Butane-1,4-diyl bis(pyridine-3-carboxylate)","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","1","0.5","SU2433","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Bolte, Michael","Butane-1,4-diyl bis(pyridine-3-carboxylate)","Acta Crystallographica Section E","2012","68","7","o2007","","10.1107/S160053681202260X","","","0.71073","MoKα","","0.0465","0.0376","","","0.0871","0.0903","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235622","9.661","0.003","12.422","0.004","14.007","0.004","72.11","0.005","82.697","0.006","70.184","0.005","1504.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro- 3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidine-7-carboxylate","","- C31 H37 Cl N4 O3 -","- C31 H37 Cl N4 O3 -","- C62 H74 Cl2 N8 O6 -","2","1","SU2435","He, Ping; Wan, Qin-Qin; Liao, Quan-Lei","Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidine-7-carboxylate","Acta Crystallographica Section E","2012","68","7","o1990","o1991","10.1107/S1600536812024609","","","0.71073","MoKα","","0.0756","0.0541","","","0.1653","0.1822","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235623","6.2216","0.0005","7.4096","0.0006","7.7833","0.0006","110.867","0.002","93.667","0.002","90.748","0.003","334.34","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-nitrobenzyl alcohol","(4-nitrophenyl)methanol","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C14 H14 N2 O6 -","2","1","SU2438","Císařová, Ivana; Štěpnička, Petr","(4-Nitrophenyl)methanol","Acta Crystallographica Section E","2012","68","7","o2012","","10.1107/S1600536812024865","","","0.71073","MoKα","","0.0369","0.0316","","","0.0943","0.0987","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235624","11.917","0.008","11.899","0.008","12.354","0.008","90","","108.22","0.005","90","","1664","1.9","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Aqua[1-(pyrazin-2-yl)ethanone oximato-κ^2^<i>N</i>,<i>N</i>'][1-(pyrazin-2-yl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>'](thiocyanato-κ<i>N</i>)nickel(II)","","- C13 H15 N7 Ni O3 S -","- C13 H15 N7 Ni O3 S -","- C52 H60 N28 Ni4 O12 S4 -","4","1","SU2441","Pang, Ting; Liu, Jia-Cheng; Sun, Zan; Xiao, Chao-Hu; Cao, Ping","Aqua[1-(pyrazin-2-yl)ethanone oximato-κ^2^<i>N</i>,<i>N</i>'][1-(pyrazin-2-yl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>'](thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","7","m883","","10.1107/S1600536812024622","","","0.71073","MoKα","","0.0213","0.0198","","","0.0446","0.0452","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235625","16.682","0.002","15.9978","0.0019","8.792","0.0009","90","","90","","90","","2346.4","0.5","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetraiodo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II)","","- C19 H16 I4 N2 Ni O2 -","- C19 H16 I4 N2 Ni O2 -","- C76 H64 I16 N8 Ni4 O8 -","4","0.5","SU2444","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetraiodo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II)","Acta Crystallographica Section E","2012","68","7","m935","","10.1107/S1600536812024944","","","0.71073","MoKα","","0.0869","0.0434","","","0.0801","0.0957","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235626","8.5802","0.0001","9.4744","0.0001","23.3732","0.0002","90","","91.018","0.001","90","","1899.76","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3-Bis[(4-methoxyphenyl)sulfanyl]-1-methylpiperidin-2-one","","- C20 H23 N O3 S2 -","- C20 H23 N O3 S2 -","- C80 H92 N4 O12 S8 -","4","1","SU2445","Caracelli, Ignez; Olivato, Paulo R.; Cerqueira, Jr, Carlos R.; Santos, Jean M. M.; Ng, Seik Weng; Tiekink, Edward R. T.","3,3-Bis[(4-methoxyphenyl)sulfanyl]-1-methylpiperidin-2-one","Acta Crystallographica Section E","2012","68","7","o2076","o2077","10.1107/S1600536812025202","","","1.54184","CuKα","","0.0317","0.0291","","","0.0745","0.0763","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235627","9.501","0.0019","12.936","0.003","12.551","0.004","90","","124.81","0.02","90","","1266.5","0.6","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Hydroxy-2-{[(2-phenylethyl)iminiumyl]methyl}phenolate","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","SU2447","Ortegon-Reyna, David; Garcias-Morales, Cesar; García-Báez, Efren V.; Ariza-Castolo, Armando; Martínez-Martínez, Francisco J.","(<i>E</i>)-4-Hydroxy-2-{[(2-phenylethyl)iminiumyl]methyl}phenolate","Acta Crystallographica Section E","2012","68","7","o2075","","10.1107/S1600536812025408","","","0.71073","MoKα","","0.0498","0.0412","","","0.1021","0.1066","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235628","5.6424","0.0003","18.3221","0.0012","14.7164","0.0009","90","","94.087","0.003","90","","1517.52","0.16","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-2-hydroxybenzohydrazide","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C56 H72 N24 O16 -","8","2","SU2448","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","4-Amino-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2012","68","7","o2117","","10.1107/S1600536812026190","","","0.71073","MoKα","","0.0823","0.0453","","","0.1136","0.1327","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235629","9.4243","0.0008","9.7975","0.0009","14.1924","0.001","90","","90","","90","","1310.45","0.19","296","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-4-Amino-<i>N</i>'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","SU2449","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-4-Amino-<i>N</i>'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2118","o2119","10.1107/S1600536812025974","","","0.71073","MoKα","","0.043","0.0351","","","0.0798","0.0841","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235630","15.8435","0.0011","7.1718","0.0006","12.6462","0.0008","90","","101.391","0.003","90","","1408.64","0.18","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Amino-<i>N</i>'-(5-bromo-2-hydroxybenzylidene)benzohydrazide monohydrate","","- C14 H14 Br N3 O3 -","- C14 H14 Br N3 O3 -","- C56 H56 Br4 N12 O12 -","4","1","SU2450","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-4-Amino-<i>N</i>'-(5-bromo-2-hydroxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2120","","10.1107/S1600536812025950","","","0.71073","MoKα","","0.0412","0.0298","","","0.0728","0.0768","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235631","11.2812","0.0007","22.5897","0.0015","17.6777","0.0012","90","","107.159","0.003","90","","4304.4","0.5","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua{4,4',6,6'-tetrachloro-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}zinc","","- C19 H18 Cl4 N2 O3 Zn -","- C19 H18 Cl4 N2 O3 Zn -","- C152 H144 Cl32 N16 O24 Zn8 -","8","2","SU2451","Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz","Aqua{4,4',6,6'-tetrachloro-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}zinc","Acta Crystallographica Section E","2012","68","7","m936","m937","10.1107/S1600536812025986","","","0.71073","MoKα","","0.0989","0.0467","","","0.0791","0.094","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235632","14.2586","0.0007","13.1416","0.0008","7.7524","0.0003","90","","105.215","0.005","90","","1401.73","0.13","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Methylbenzyl)-3-nitroanilinium chloride","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","SU2452","Daković, Marijana; Portada, Tomislav; Ugrinovski, Dora","<i>N</i>-(4-Methylbenzyl)-3-nitroanilinium chloride","Acta Crystallographica Section E","2012","68","7","o2152","","10.1107/S1600536812026281","","","0.71073","MoKα","","0.0783","0.0429","","","0.1045","0.1131","","","","","","0.883","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235633","8.8557","0.0007","9.5113","0.0006","11.373","0.0007","99.682","0.005","101.432","0.006","97.211","0.006","912.96","0.11","180","0.1","180","1","","","","","","","","4","P -1","-P 1","2","2-(4-Bromophenyl)-<i>N</i>-[3-(1<i>H</i>-imidazol-1-yl)propyl]quinazolin-4-amine","","","- C20 H18 Br N5 -","- C20 H18 Br N5 -","- C40 H36 Br2 N10 -","2","1","SU2454","Pérez-Fehrmann, Marcia; Kesternich, Victor; Verdugo, Felipe; Christen, Philippe; Besnard, Céline","2-(4-Bromophenyl)-<i>N</i>-[3-(1<i>H</i>-imidazol-1-yl)propyl]quinazolin-4-amine","Acta Crystallographica Section E","2012","68","7","o2249","","10.1107/S1600536812028115","","","1.5418","CuKα","","0.0749","0.0728","","","0.2136","0.2163","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235634","8.7826","0.0004","10.3999","0.0005","11.1827","0.0003","90","","90","","90","","1021.41","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-4-(2-Hydroxyanilino)pent-3-en-2-one","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","SU2455","Fatiha, Benghanem; Saida, Keraghel; Safia, Chahmana; Ali, Ourari; Lydia, Brelot","(<i>Z</i>)-4-(2-Hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section E","2012","68","7","o2188","o2189","10.1107/S1600536812027894","","","0.71073","MoKα","","0.051","0.0472","","","0.1213","0.1255","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235635","13.7966","0.0009","3.9648","0.0003","14.07","0.0008","90","","97.039","0.005","90","","763.84","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Hydrazinylquinoline","","- C9 H9 N3 -","- C9 H9 N3 -","- C36 H36 N12 -","4","1","SU2456","Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Hydrazinylquinoline","Acta Crystallographica Section E","2012","68","7","o2138","","10.1107/S1600536812026906","","","1.54184","CuKα","","0.0658","0.0515","","","0.1424","0.1584","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235636","10.2717","0.0008","11.5668","0.001","11.9152","0.0009","94.544","0.003","100.583","0.003","95.88","0.003","1377.28","0.19","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-Amino-<i>N</i>'-(2-hydroxy-5-methylbenzylidene)benzohydrazide","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","SU2458","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-4-Amino-<i>N</i>'-(2-hydroxy-5-methylbenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2185","o2186","10.1107/S1600536812027948","","","0.71073","MoKα","","0.0788","0.0471","","","0.1197","0.1371","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235637","20.0505","0.0014","10.146","0.0009","9.0579","0.0006","90","","114.955","0.004","90","","1670.6","0.2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,6-Dichloro-2-[(<i>E</i>)-(2-{[(<i>E</i>)-3,5-dichloro-2-oxidobenzylidene]azaniumyl}ethyl)iminiumylmethyl]phenolate","","- C16 H12 Cl4 N2 O2 -","- C16 H12 Cl4 N2 O2 -","- C64 H48 Cl16 N8 O8 -","4","0.5","SU2459","Kia, Reza; Kargar, Hadi; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,6-Dichloro-2-[(<i>E</i>)-(2-{[(<i>E</i>)-3,5-dichloro-2-oxidobenzylidene]azaniumyl}ethyl)iminiumylmethyl]phenolate","Acta Crystallographica Section E","2012","68","7","o2242","o2243","10.1107/S160053681202870X","","","0.71073","MoKα","","0.0816","0.0417","","","0.0829","0.0969","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235638","15.871","0.003","12.505","0.003","9.4133","0.0018","90","","90","","90","","1868.2","0.7","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,6-Dichloro-2-((<i>E</i>)-{4-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol","","- C18 H16 Cl4 N2 O2 -","- C18 H16 Cl4 N2 O2 -","- C72 H64 Cl16 N8 O8 -","4","0.5","SU2460","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,6-Dichloro-2-((<i>E</i>)-{4-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol","Acta Crystallographica Section E","2012","68","7","o2244","o2245","10.1107/S1600536812028693","","","0.71073","MoKα","","0.092","0.045","","","0.0791","0.095","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235639","15.9537","0.0012","12.8784","0.001","9.5566","0.0006","90","","90","","90","","1963.5","0.2","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,6-Dibromo-2-[(<i>E</i>)-(4-{[(<i>E</i>)-3,5-dibromo-2-hydroxybenzylidene]amino}butyl)iminomethyl]phenol","","- C18 H16 Br4 N2 O2 -","- C18 H16 Br4 N2 O2 -","- C72 H64 Br16 N8 O8 -","4","0.5","SU2461","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,6-Dibromo-2-[(<i>E</i>)-(4-{[(<i>E</i>)-3,5-dibromo-2-hydroxybenzylidene]amino}butyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","7","o2270","o2271","10.1107/S1600536812028863","","","0.71073","MoKα","","0.0747","0.0347","","","0.065","0.0743","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235640","9.7392","0.0011","19.165","0.002","15.0197","0.0014","90","","93.236","0.003","90","","2799","0.5","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(dimethylformamide-κ<i>O</i>){4,4',6,6'-tetrachloro-2,2-[butane-1,4-diyl(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","","- C24 H28 Cl4 N4 Ni O4 -","- C24 H28 Cl4 N4 Ni O4 -","- C96 H112 Cl16 N16 Ni4 O16 -","4","1","SU2463","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","Bis(dimethylformamide-κ<i>O</i>){4,4',6,6'-tetrachloro-2,2-[butane-1,4-diyl(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section E","2012","68","7","m997","m998","10.1107/S1600536812028681","","","0.71073","MoKα","","0.082","0.0438","","","0.1043","0.1232","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235641","11.8864","0.0004","13.6276","0.0005","31.0273","0.001","90","","90","","90","","5025.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-3,6-dimethyl-1-phenyl-1<i>H</i>,4<i>H</i>- pyrano[2,3-<i>c</i>]pyrazol-4-one","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C224 H176 Cl16 N32 O32 -","16","2","SU2466","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-Chloro-3,6-dimethyl-1-phenyl-1<i>H</i>,4<i>H</i>-pyrano[2,3-<i>c</i>]pyrazol-4-one","Acta Crystallographica Section E","2012","68","7","o2257","","10.1107/S1600536812028528","","","0.71073","MoKα","","0.0606","0.0444","","","0.1064","0.1173","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235642","7.9698","0.0003","17.5466","0.0008","20.135","0.0008","90","","90","","90","","2815.7","0.2","120.1","0.1","120.1","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(Adamantan-2-ylidene)benzohydrazide","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C136 H160 N16 O8 -","8","1","SU2467","Almutairi, Maha S.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","<i>N</i>'-(Adamantan-2-ylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2247","o2248","10.1107/S1600536812028644","","","1.54184","CuKα","","0.0792","0.0505","","","0.1207","0.1388","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235643","5.9516","0.0005","8.5188","0.0007","10.2036","0.0008","66.985","0.008","80.38","0.007","78.311","0.007","464.05","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Hydroxy-2-trifluoromethyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","","- C10 H7 F3 O3 -","- C10 H7 F3 O3 -","- C20 H14 F6 O6 -","2","1","SU2468","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Hydroxy-2-trifluoromethyl-3,4-dihydro-2<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section E","2012","68","7","o2299","","10.1107/S1600536812029170","","","0.71073","MoKα","","0.0676","0.0514","","","0.148","0.1708","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235644","12.3035","0.0007","11.656","0.0007","20.7112","0.001","90","","90","","90","","2970.2","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N'</i>)nickel(II) sulfate","","- C10 H16 N2 Ni O8 S -","- C10 H16 N2 Ni O8 S -","- C80 H128 N16 Ni8 O64 S8 -","8","1","TK5105","Boonlue, Sujirat; Theppitak, Chatphorn; Chainok, Kittipong","Tetraaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate","Acta Crystallographica Section E","2012","68","7","m908","","10.1107/S160053681202538X","","","0.71073","MoKα","","0.0499","0.0389","","","0.0857","0.0917","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235645","10.7434","0.0005","10.9408","0.0005","14.7225","0.0006","100.085","0.004","102.451","0.004","110.329","0.004","1524.34","0.14","223","","223","","","","","","","","","4","P -1","-P 1","2","","Methyl 3-[4-(4-nitrobenzyloxy)phenyl]propanoate","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","2","TK5106","Servinis, Linden; Fox, Bronwyn L.; Healy, Peter C.; Henderson, Luke C.","Methyl 3-[4-(4-nitrobenzyloxy)phenyl]propanoate","Acta Crystallographica Section E","2012","68","7","o1997","o1998","10.1107/S1600536812024701","","","0.7107","MoKα","","0.0549","0.044","","","0.1066","0.1133","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235646","31.7117","0.0012","7.4378","0.0003","24.7885","0.0009","90","","110.592","0.002","90","","5473.2","0.4","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium tris(thiocyanato-κ<i>N</i>)[tris(1<i>H</i>-pyrazol-1-yl- κ<i>N</i>^2^)methane]nickelate(II)","","- C21 H30 N10 Ni S3 -","- C21 H30 N10 Ni S3 -","- C168 H240 N80 Ni8 S24 -","8","1","TK5107","Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad; Jeon, Hee Kyung","Tetraethylammonium tris(thiocyanato-κ<i>N</i>)[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]nickelate(II)","Acta Crystallographica Section E","2012","68","7","m888","","10.1107/S1600536812024774","","","1.54178","CuKα","","0.0582","0.0544","","","0.1818","0.1862","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235647","6.0621","0.0001","17.2963","0.0003","18.5398","0.0003","90","","90","","90","","1943.93","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-4-Isopropyl-3-isopropylsulfanyl-5,5-diphenyl-1,3-oxazolidin-2-one","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","TK5109","Pozza Silveira, Gustavo; Bonfante de Carvallho, Cassandra; Oliver, Allen","(<i>R</i>)-4-Isopropyl-3-isopropylsulfanyl-5,5-diphenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","7","o2048","","10.1107/S160053681202569X","","","1.54178","CuKα","","0.0289","0.0274","","","0.0702","0.0709","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235648","9.4557","0.0007","11.058","0.0006","11.0715","0.0008","113.187","0.006","99.919","0.006","92.815","0.005","1039.46","0.13","200","","200","","","","","","","","","4","P 1","P 1","1","","Dicyclohexylammonium (<i>S</i>)-2-azido-3-phenylpropanoate","","- C21 H32 N4 O2 -","- C21 H32 N4 O2 -","- C42 H64 N8 O4 -","2","2","TK5110","Petrik, Sebastian J.; Brown, Christopher L.; Boyd, Sue E.; Healy, Peter C.","Dicyclohexylammonium (<i>S</i>)-2-azido-3-phenylpropanoate","Acta Crystallographica Section E","2012","68","7","o2050","","10.1107/S1600536812025536","","","0.7107","MoKα","","0.0488","0.0415","","","0.0959","0.1002","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235649","9.0486","0.0003","9.4105","0.0003","33.4876","0.001","90","","90","","90","","2851.53","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-(4-Chlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H12 Cl N O S -","- C16 H12 Cl N O S -","- C128 H96 Cl8 N8 O8 S8 -","8","1","TK5111","Lakshmanan, D.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","(<i>Z</i>)-3-(4-Chlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2130","","10.1107/S1600536812026608","","","0.71073","MoKα","","0.0648","0.0469","","","0.1089","0.1179","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235650","7.4947","0.0001","8.4366","0.0002","23.8574","0.0006","90","","99.365","0.001","90","","1488.39","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4,6-trinitrophenyl 3-methylbenzoate","2,4,6-Trinitrophenyl 3-methylbenzoate","","- C14 H9 N3 O8 -","- C14 H9 N3 O8 -","- C56 H36 N12 O32 -","4","1","TK5112","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Ellena, Javier; Tenorio, Juan C.","2,4,6-Trinitrophenyl 3-methylbenzoate","Acta Crystallographica Section E","2012","68","7","o2187","","10.1107/S1600536812027407","","","0.71073","MoKα","","0.058","0.0443","","","0.1179","0.1263","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235651","9.8237","0.0003","16.8736","0.0005","10.8886","0.0003","90","","102.89","0.003","90","","1759.42","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-Dicyclohexylcyclohexanecarboxamide","","- C19 H33 N O -","- C19 H33 N O -","- C76 H132 N4 O4 -","4","1","TK5114","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Jasinski, Jerry P.; Keeley, Amanda C.","<i>N</i>,<i>N</i>-Dicyclohexylcyclohexanecarboxamide","Acta Crystallographica Section E","2012","68","7","o2215","","10.1107/S1600536812027766","","","1.54184","CuKα","","0.0479","0.0443","","","0.1191","0.1227","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235652","8.0876","0.0004","9.2013","0.0004","12.1613","0.0006","94.376","0.002","102.827","0.001","95.972","0.002","873","0.07","293","","296","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3- carbonitrile 1,4-dioxane hemisolvate","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C38 H40 N4 O8 -","2","1","TK5115","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Younes, Sabry H. H.","2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile 1,4-dioxane hemisolvate","Acta Crystallographica Section E","2012","68","7","o2178","o2179","10.1107/S1600536812027729","","","0.71073","MoKα","","0.0741","0.0591","","","0.1766","0.1941","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235653","9.0579","0.0001","12.5733","0.0001","16.4386","0.0002","90","","90.5917","0.0004","90","","1872.05","0.03","90","0.2","90","0.2","","","","","","","","7","P 1 c 1","P -2yc","7","","Bis[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]sodium trifluoromethanesulfonate","","- C33 H44 F3 N12 Na O3 S -","- C33 H44 F3 N12 Na O3 S -","- C66 H88 F6 N24 Na2 O6 S2 -","2","1","TK5119","Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad","Bis[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]sodium trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","7","m973","","10.1107/S1600536812028413","","","0.71073","MoKα","","0.0527","0.0412","","","0.1054","0.1121","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235654","18.288","0.002","8.713","0.003","19.018","0.002","90","","90","","90","","3030.4","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","","- C15 H12 Br Cl N2 O4 -","- C15 H12 Br Cl N2 O4 -","- C120 H96 Br8 Cl8 N16 O32 -","8","1","VM2167","Zhu, Hui; Jiang, Hui-Hui; Zhu, Hai-Liang","6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","Acta Crystallographica Section E","2012","68","7","o2023","","10.1107/S1600536812023859","","","0.71073","MoKα","","0.1104","0.0503","","","0.1322","0.1486","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235655","8.5896","0.0017","18.092","0.004","15.615","0.003","90","","95.61","0.03","90","","2415","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>C</i>; 3:4κ^2^<i>C</i>:<i>N</i>;4:1κ^2^<i>N</i>:<i>C</i>-tetracyanido- 1κ^2^<i>C</i>,3κ^2^<i>C</i>-bis(1,4,7-triisopropyl-1,4,7- triazacyclononane)-2κ^3^<i>N</i>,<i>N</i>',<i>N</i>''; 4κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-dicopper(II)dinickel(II) tetrahydrate","","- C38 H74 Cu2 N14 Ni2 O4 -","- C38 H74 Cu2 N14 Ni2 O4 -","- C76 H148 Cu4 N28 Ni4 O8 -","2","0.5","VM2171","Cui, Hong-Xia; Wang, Yan-Chao","Discrete water clusters in tetra-μ-cyanido-tetracyanidobis(1,4,7-triisopropyl-1,4,7-triazacyclononane)dicopper(II)dinickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","7","m880","m881","10.1107/S1600536812024282","","","0.71073","MoKα","","0.0474","0.0339","","","0.069","0.0739","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235656","7.4727","0.0006","10.4704","0.0008","12.2796","0.0008","90.384","0.006","100.716","0.006","94.365","0.006","941.08","0.12","119.9","","119.9","","","","","","","","","4","P -1","-P 1","2","","Methyl 2-{4-chloro-2-[5-chloro-2-(2-methoxy-2-oxoethoxy)benzyl]phenoxy}acetate","","- C19 H18 Cl2 O6 -","- C19 H18 Cl2 O6 -","- C38 H36 Cl4 O12 -","2","1","VM2175","Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel","Methyl 2-{4-chloro-2-[5-chloro-2-(2-methoxy-2-oxoethoxy)benzyl]phenoxy}acetate","Acta Crystallographica Section E","2012","68","7","o2066","","10.1107/S160053681202555X","","","1.5418","CuKα","","0.0934","0.0799","","","0.2211","0.2393","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235657","5.8976","0.001","11.511","0.002","13.46","0.002","103.956","0.004","90.078","0.003","104.804","0.003","855.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Di-<i>tert</i>-butyl 3,5-dimethyl-1<i>H</i>-pyrrole-2,4-dicarboxylate","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C32 H50 N2 O8 -","2","1","VM2177","Zhang, Zhao-Po; Wu, Wei-Na","Di-<i>tert</i>-butyl 3,5-dimethyl-1<i>H</i>-pyrrole-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","7","o2133","","10.1107/S1600536812026700","","","0.71073","MoKα","","0.1053","0.0582","","","0.1294","0.1499","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235658","8.1684","0.0016","12.691","0.003","13.289","0.003","65.48","0.03","79.66","0.03","84.3","0.03","1232.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-2-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^}dichloridocobalt(II)","","- C22 H22 Cl2 Co N10 -","- C22 H22 Cl2 Co N10 -","- C44 H44 Cl4 Co2 N20 -","2","1","VM2178","Yang, Haiyan; Li, Yinghua; Zhao, Yaomin; Li, Wenzhuo; He, Fang","Bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^}dichloridocobalt(II)","Acta Crystallographica Section E","2012","68","7","m948","","10.1107/S1600536812026712","","","0.71073","MoKα","","0.0657","0.0492","","","0.0936","0.1007","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235659","7.3901","0.0015","17.586","0.004","20.995","0.005","90","","107.941","0.011","90","","2595.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III)","","- C9 H11 Cr N2 O10 -","- C9 H11 Cr N2 O10 -","- C72 H88 Cr8 N16 O80 -","8","2","VN2039","Chérif, Ichraf; Zid, Mohamed Faouzi; El-Ghozzi, Malika; Avignant, Daniel","3-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III)","Acta Crystallographica Section E","2012","68","7","m900","m901","10.1107/S1600536812025020","","","0.71073","MoKα","","0.0654","0.0388","","","0.0984","0.1118","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235660","8.683","0.0017","10.797","0.002","16.158","0.003","90","","90","","90","","1514.8","0.5","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","<i>catena</i>-Poly[[gallium(III)-bis[μ-<i>D</i>/<i>L</i>-tartrato(2-)]- gallium(III)-di-μ-hydroxido] dihydrate]","","- C8 H14 Ga2 O16 -","- C8 H14 Ga2 O16 -","- C32 H56 Ga8 O64 -","4","0.25","VN2042","Liu, Xiaojing; Tian, Ruijing; Zhang, Cailing; Zhi, Xia; Pan, Qinhe","<i>catena</i>-Poly[[gallium(III)-bis[μ-<small>D</small>/<small>L</small>-tartrato(2{-})]-gallium(III)-di-μ-hydroxido] dihydrate]","Acta Crystallographica Section E","2012","68","7","m989","m990","10.1107/S1600536812028188","","","0.71073","MoKα","","0.0408","0.0313","","","0.0708","0.0742","","","","","","1.142","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235661","11.2923","0.0015","12.0868","0.0014","12.822","0.0015","62.324","0.009","88.427","0.01","88.512","0.01","1549.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)nickel(II) pyridazine disolvate","","- C26 H24 N14 Ni Se2 -","- C26 H24 N14 Ni Se2 -","- C52 H48 N28 Ni2 Se4 -","2","1","VN2044","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Tetrakis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)nickel(II) pyridazine disolvate","Acta Crystallographica Section E","2012","68","7","m969","","10.1107/S1600536812028036","","","0.71073","MoKα","","0.0939","0.0529","","","0.1133","0.129","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235662","19.3119","0.0018","7.5303","0.0007","16.0769","0.0015","90","","100.912","0.002","90","","2295.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[<i>N</i>,<i>N</i>'-Bis(2,4,6-trimethylphenyl)ethane-1,2-diimine- κ^2^<i>N</i>,<i>N</i>']tetracarbonylchromium(0)","","- C24 H24 Cr N2 O4 -","- C24 H24 Cr N2 O4 -","- C96 H96 Cr4 N8 O16 -","4","1","WM2632","Landman, Marilé; Fraser, Roan; Pretorius, René; Prinsloo, Rohen; Liles, David C.; van Rooyen, Petrus H.","[<i>N</i>,<i>N</i>'-Bis(2,4,6-trimethylphenyl)ethane-1,2-diimine-κ^2^<i>N</i>,<i>N</i>']tetracarbonylchromium(0)","Acta Crystallographica Section E","2012","68","7","m930","","10.1107/S1600536812024786","","","0.71073","MoKα","","0.0293","0.0291","","","0.0743","0.0746","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235663","6.6996","0.0002","9.1145","0.0003","11.6207","0.0003","69.8257","0.001","88.929","0.0011","69.217","0.0011","618.36","0.03","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","Tetraaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III) dihydrate","","- Gd H12 N3 O15 -","- Gd H12 N3 O15 -","- Gd2 H24 N6 O30 -","2","1","WM2634","Taha, Ziyad A.; Ajlouni, Abdulaziz; Hijazi, Ahmed K.; Kühn, Fritz E.; Herdtweck, Eberhardt","Redetermination of [Gd(NO~3~)~3~(H~2~O)~4~]·2H~2~O","Acta Crystallographica Section E","2012","68","7","i56","i57","10.1107/S1600536812028000","","","0.71073","MoKα","","0.0158","0.0157","","","0.0413","0.0413","","","","","","1.199","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235664","9.7372","0.0007","10.1619","0.0005","11.6637","0.0005","74.171","0.004","74.379","0.005","79.748","0.005","1062.5","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-bis(μ~3~-2-hydroxy- 5-sulfonatobenzoato)] acetic acid monosolvate]","","- C40 H32 N4 O16 Pb2 S2 -","- C40 H32 N4 O16 Pb2 S2 -","- C40 H32 N4 O16 Pb2 S2 -","1","0.5","WM2635","Cheng, Yuan-Zheng; Shi, Wei-Wei; Wang, Xue-Dong; Deng, Shu-E; Zhang, Li-Ping","<i>catena</i>-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-bis(μ~3~-2-hydroxy-5-sulfonatobenzoato)] acetic acid monosolvate]","Acta Crystallographica Section E","2012","68","7","m878","m879","10.1107/S160053681202421X","","","0.71073","MoKα","","0.0297","0.0265","","","0.0626","0.064","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235665","7.9865","0.0001","17.5031","0.0003","14.9484","0.0003","90","","105.406","0.001","90","","2014.53","0.06","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Dimethylammonium dichloridotriphenylstannate(IV)","","- C20 H23 Cl2 N Sn -","- C20 H23 Cl2 N Sn -","- C80 H92 Cl8 N4 Sn4 -","4","1","WM2636","Sow, Yaya; Diop, Libasse; Kociok-Kohn, Gabriele; Molloy, Kieran C.","Dimethylammonium dichloridotriphenylstannate(IV)","Acta Crystallographica Section E","2012","68","7","m1015","m1016","10.1107/S1600536812028905","","","0.71073","MoKα","","0.0229","0.0209","","","0.0443","0.0448","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235666","5.818","0.005","9.667","0.005","11.46","0.005","95.241","0.005","90.336","0.005","93.691","0.005","640.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Phenazinium methyl sulfate","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C26 H24 N4 O8 S2 -","2","1","WM2637","Zhang, Nai-Qiang; Li, Ping; Dong, Jian; Chen, Hong-Yu","Phenazinium methyl sulfate","Acta Crystallographica Section E","2012","68","7","o2101","","10.1107/S1600536812026025","","","0.71069","MoKα","","0.0705","0.0658","","","0.1787","0.1853","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235667","7.4813","0.0006","14.9431","0.0012","11.3323","0.0009","90","","98.66","0.009","90","","1252.44","0.18","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[tricarbonyl-1κ^3^<i>C</i>-(1η^5^- cyclopentadienyl)lead(II)molybdenum(0)](<i>Mo</i>—<i>Pb</i>)-μ~3~-acetato- 2':2:2''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']","","- C10 H8 Mo O5 Pb -","- C10 H8 Mo O5 Pb -","- C40 H32 Mo4 O20 Pb4 -","4","1","WM2639","Gerdes, Eberhard; Merzweiler, Kurt","<i>catena</i>-Poly[[tricarbonyl-1κ^3^<i>C</i>-(1η^5^-cyclopentadienyl)lead(II)molybdenum(0)](<i>Mo</i>—<i>Pb</i>)-μ~3~-acetato-2':2:2''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']","Acta Crystallographica Section E","2012","68","7","m869","","10.1107/S1600536812024737","","","0.71073","MoKα","","0.0303","0.0242","","","0.0548","0.0562","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235668","7.7349","0.0013","9.4467","0.0016","11.2063","0.0018","102.284","0.002","106.059","0.002","107.003","0.002","713","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquabis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')-μ~3~-succinato-dicadmium]","","- C28 H24 Cd2 N6 O12 -","- C28 H24 Cd2 N6 O12 -","- C28 H24 Cd2 N6 O12 -","1","0.5","WM2640","Li, Hong-Jin; Gao, Zhu-Qing; Gu, Jin-Zhong","Poly[diaquabis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')-μ~3~-succinato-dicadmium]","Acta Crystallographica Section E","2012","68","7","m899","","10.1107/S1600536812025287","","","0.71073","MoKα","","0.0332","0.0256","","","0.0625","0.0864","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235669","8.8694","0.0002","8.8694","0.0002","21.6074","0.0007","90","","90","","120","","1472.05","0.07","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","[iron(III)/manganese(II)] tris(orthophosphate)","","- Fe1.6 Mn0.4 Na3.4 O12 P3 -","- Fe1.5982 Mn0.4018 Na3.407 O12 P3 -","- Fe9.5892 Mn2.4108 Na20.442 O72 P18 -","6","0.166667","WM2642","Yatskin, Michael M.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","NASICON-related Na~3.4~Mn~0.4~Fe~1.6~(PO~4~)~3~","Acta Crystallographica Section E","2012","68","7","i55","","10.1107/S1600536812027584","","","0.71073","MoKα","","0.0333","0.0279","","","","0.0717","","","","","","1.229","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235670","6.8842","0.0007","15.289","0.002","11.4353","0.0012","90","","95.192","0.008","90","","1198.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(acetonitrile-κ<i>N</i>)dicarbonyl(η^5^-cyclopentadienyl)iron(II) tetrafluoridoborate","","- C9 H8 B F4 Fe N O2 -","- C9 H8 B F4 Fe N O2 -","- C36 H32 B4 F16 Fe4 N4 O8 -","4","1","WM2643","Kückmann, Theresa; Lerner, Hans-Wolfram; Bolte, Michael","Redetermination of (acetonitrile-κ<i>N</i>)dicarbonyl(η^5^-cyclopentadienyl)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","7","m966","","10.1107/S1600536812027857","","","0.71073","MoKα","","0.0607","0.0553","","","0.1454","0.1509","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235671","4.1678","0.0002","14.2227","0.0007","10.8476","0.0005","90","","90","","90","","643.02","0.05","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","Thallium(I) copper(I) thorium(IV) triselenide","","- Cu Se3 Th Tl -","- Cu Se3 Th Tl -","- Cu4 Se12 Th4 Tl4 -","4","0.25","WM2644","Koscielski, Lukasz A.; Ibers, James A.","Thallium(I) copper(I) thorium(IV) triselenide, TlCuThSe~3~","Acta Crystallographica Section E","2012","68","7","i52","i53","10.1107/S1600536812026669","","","0.71073","MoKα","","0.0229","0.0206","","","0.0455","0.046","","","","","","1.592","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235672","9.2436","0.0005","14.0911","0.0008","20.1932","0.0011","90","","92.232","0.001","90","","2628.2","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(μ~2~-2,2'-Bipyrimidine)diiodidobis(triphenylphosphane)dicopper(I) dimethylformamide] disolvate","","- C50 H50 Cu2 I2 N6 O2 P2 -","- C50 H50 Cu2 I2 N6 O2 P2 -","- C100 H100 Cu4 I4 N12 O4 P4 -","2","0.5","WM2646","Fettouhi, Mohammed","μ-2,2'-Bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^-bis[iodido(triphenylphosphane-κ<i>P</i>)copper(I)] dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","7","m1003","","10.1107/S1600536812028139","","","0.71073","MoKα","","0.0694","0.0437","","","0.1011","0.1144","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235673","6.7017","0.0003","9.1858","0.0004","11.701","0.0006","69.118","0.004","88.958","0.004","69.696","0.004","626.6","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetraaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>')praseodymium(III) dihydrate","","- H12 N3 O15 Pr -","- H12 N3 O15 Pr -","- H24 N6 O30 Pr2 -","2","1","WM2647","Decadt, Roel; Van Der Voort, Pascal; Van Driessche, Isabel; Van Deun, Rik; Van Hecke, Kristof","Redetermination of [Pr(NO~3~)~3~(H~2~O)~4~]·2H~2~O","Acta Crystallographica Section E","2012","68","7","i59","i60","10.1107/S1600536812028024","","","0.71073","MoKα","","0.0185","0.0171","","","0.0366","0.0371","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235674","11.2138","0.0009","12.0996","0.0011","12.7033","0.0011","62.206","0.009","88.827","0.01","88.682","0.01","1524.3","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)cobalt(II) pyridazine disolvate","","- C26 H24 Co N14 Se2 -","- C26 H24 Co N14 Se2 -","- C52 H48 Co2 N28 Se4 -","2","1","WM2650","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Tetrakis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)cobalt(II) pyridazine disolvate","Acta Crystallographica Section E","2012","68","7","m965","","10.1107/S1600536812027742","","","0.71073","MoKα","","0.0688","0.0382","","","0.0885","0.1003","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235675","36.2497","0.0007","9.994","0.0002","8.9392","0.0002","90","","90","","90","","3238.49","0.12","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[benzyl 3-(3-phenylprop-2-enylidene)dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>]cadmium","","- C34 H30 Cd N4 S4 -","- C34 H30 Cd N4 S4 -","- C136 H120 Cd4 N16 S16 -","4","0.5","WM2651","Reza, M. S.; Islam, M. A. A. A. A.; Tarafder, M. T. H.; Sheikh, M. C.; Zangrando, E.","Bis[benzyl 3-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]cadmium","Acta Crystallographica Section E","2012","68","7","m976","m977","10.1107/S1600536812028127","","","1.54187","CuKα","","0.0474","0.0417","","","0.1117","0.1149","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235676","8.2438","0.0009","11.2405","0.0012","14.2502","0.0015","85.178","0.002","78.702","0.002","80.032","0.002","1273.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-{<i>N</i>-[2-(2,4-dichlorophenoxy)acetyl]- 4-[(4,6-dimethoxypyrimidin-2-yl)oxy]anilino}propanoate","","- C24 H23 Cl2 N3 O7 -","- C24 H23 Cl2 N3 O7 -","- C48 H46 Cl4 N6 O14 -","2","1","WN2477","Ning, Lihong; Peng, Hao; He, Hongwu","Methyl 2-{<i>N</i>-[2-(2,4-dichlorophenoxy)acetyl]-4-[(4,6-dimethoxypyrimidin-2-yl)oxy]anilino}propanoate","Acta Crystallographica Section E","2012","68","7","o2046","","10.1107/S1600536812025494","","","0.71073","MoKα","","0.0742","0.0559","","","0.1633","0.174","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235677","11.2009","0.001","11.6067","0.001","15.523","0.0014","90","","97.162","0.002","90","","2002.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis[(1<i>H</i>-imidazol-1-yl)methyl]-2,2'- (disulfanediyl)dianiline","","- C20 H20 N6 S2 -","- C20 H20 N6 S2 -","- C80 H80 N24 S8 -","4","1","WN2478","Lee, Hon Man; Hsieh, Chang-Chih; Horng, Yih-Chern","<i>N</i>,<i>N</i>'-Bis[(1<i>H</i>-imidazol-1-yl)methyl]-2,2'-(disulfanediyl)dianiline","Acta Crystallographica Section E","2012","68","7","o2051","","10.1107/S1600536812025330","","","0.71073","MoKα","","0.0496","0.0334","","","0.1124","0.1281","","","","","","0.959","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235678","10.0176","0.0004","11.7075","0.0005","14.3449","0.0005","90","","92.528","0.003","90","","1680.75","0.11","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","8-<i>O</i>-Ethylyunaconitine","(1α,3α,6α,8β,13β,14α,16β)-20-ethyl-8-ethoxy-3,13-dihydroxy-1,6,16- trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate","","- C35 H51 N O10 -","- C35 H51 N O10 -","- C70 H102 N2 O20 -","2","1","XU5540","Wu, San-Lin; Liu, Fang","8-<i>O</i>-Ethylyunaconitine from the roots of <i>Aconitum carmichaeli</i> Debx.","Acta Crystallographica Section E","2012","68","7","o2238","","10.1107/S1600536812026463","","","0.7107","MoKα","","0.0725","0.0527","","","0.1116","0.1313","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235679","15.0297","0.0009","6.1496","0.0003","14.309","0.0009","90","","104.142","0.006","90","","1282.45","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(4-Fluorobenzylimino)methyl]-4-methylphenol","","- C15 H14 F N O -","- C15 H14 F N O -","- C60 H56 F4 N4 O4 -","4","1","XU5548","Jin, Yue-Bao; Zhang, Ying; Chang, Yong-Kang; Lei, Ke-Wei","2-[(<i>E</i>)-(4-Fluorobenzylimino)methyl]-4-methylphenol","Acta Crystallographica Section E","2012","68","7","o2149","","10.1107/S1600536812027018","","","0.71073","MoKα","","0.0834","0.0596","","","0.1361","0.1504","","","","","","1.095","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2235680","21.077","0.004","11.2","0.002","22.605","0.005","90","","99.424","0.003","90","","5264.2","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,3-bis(diphenylphosphanyl)propane]copper(I) tetrachloridogallate(III)","","- C54 H52 Cl4 Cu Ga P4 -","- C54 H52 Cl4 Cu Ga P4 -","- C216 H208 Cl16 Cu4 Ga4 P16 -","4","1","XU5551","Wang, Nian-Nian; Hu, Feng; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Bis[1,3-bis(diphenylphosphanyl)propane]copper(I) tetrachloridogallate(III)","Acta Crystallographica Section E","2012","68","7","m870","","10.1107/S1600536812024269","","","0.71073","MoKα","","0.1122","0.0553","","","0.1335","0.1586","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235681","8.1527","0.0006","8.4029","0.0006","12.422","0.0008","100.117","0.006","101.155","0.005","94.312","0.006","816.66","0.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-phenyl-5,6-dihydropyrrolo[2,1-<i>a</i>]isoquinoline-3-carboxylate","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","XU5552","Yu, Zhao-Peng; Zhao, Ming; Feng, Cheng-Tao","Ethyl 2-phenyl-5,6-dihydropyrrolo[2,1-<i>a</i>]isoquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2021","","10.1107/S1600536812024853","","","0.71073","MoKα","","0.0793","0.0469","","","0.1004","0.1172","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235682","42.077","0.004","5.9274","0.0005","12.0737","0.0011","90","","105.665","0.009","90","","2899.4","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-<i>N</i>-phenyl- 5-[4-(piperidin-1-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide dimethylformamide hemisolvate","","- C32.5 H36.5 N7.6 O0.5 S -","- C32.5 H36.5 N7.5 O0.5 S -","- C130 H146 N30 O2 S4 -","4","1","XU5554","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-<i>N</i>-phenyl-5-[4-(piperidin-1-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide dimethylformamide hemisolvate","Acta Crystallographica Section E","2012","68","7","o1985","","10.1107/S1600536812024488","","","1.54184","CuKα","","0.0925","0.0911","","","0.2132","0.2139","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235683","33.675","0.004","33.675","0.004","10.283","0.002","90","","90","","120","","10099","3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","Oxido[<i>N</i>-(2-oxidobenzylidene-κ<i>O</i>)leucinato- κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')vanadium(IV)","","- C25 H23 N3 O4 V -","- C25 H23 N3 O4 V -","- C450 H414 N54 O72 V18 -","18","1","XU5555","Wang, Cheng-Yuan; Jing, Bu-Qin; Dong, Jian-Fang; Li, Lian-Zhi","Oxido[<i>N</i>-(2-oxidobenzylidene-κ<i>O</i>)leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')vanadium(IV)","Acta Crystallographica Section E","2012","68","7","m907","","10.1107/S1600536812025391","","","0.71073","MoKα","","0.1541","0.0653","","","0.11","0.1284","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235684","6.3545","0.0001","39.4559","0.0005","11.3878","0.0001","90","","99.879","0.001","90","","2812.84","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Adamantan-1-yl)(phenylsulfanyl)methanone","","- C17 H20 O S -","- C17 H20 O S -","- C136 H160 O8 S8 -","8","2","XU5558","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Al-Swaidan, Ibrahim A.; Ng, Seik Weng; Tiekink, Edward R. T.","(Adamantan-1-yl)(phenylsulfanyl)methanone","Acta Crystallographica Section E","2012","68","7","o2104","","10.1107/S1600536812026116","","","1.54184","CuKα","","0.0343","0.0325","","","0.0856","0.0869","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235685","15.4721","0.0003","6.7775","0.0001","15.0124","0.0004","90","","109.143","0.003","90","","1487.18","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8- yl]oxy}acetonitrile","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","XU5559","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Al-Omar, Mohamed A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile","Acta Crystallographica Section E","2012","68","7","o2105","o2106","10.1107/S1600536812026165","","","1.54184","CuKα","","0.0465","0.044","","","0.1212","0.1231","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235686","8.6359","0.0016","21.2426","0.0012","8.6416","0.0013","90","","92.789","0.003","90","","1583.4","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[tetraaquanickel(II)]- μ-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)- κ^2^<i>O</i>^1^:<i>O</i>^8^-[tetraaquanickel(II)]- μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C28 H28 N2 Ni2 O18 -","- C28 H28 N2 Ni2 O18 -","- C56 H56 N4 Ni4 O36 -","2","0.5","XU5560","Liu, Yang-Mei; Cao, Kai; Wang, Feng-Lin","<i>catena</i>-Poly[[tetraaquanickel(II)]-μ-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^8^-[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2012","68","7","m960","m961","10.1107/S1600536812027493","","","0.71073","MoKα","","0.065","0.0484","","","0.0987","0.1023","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235687","14.0112","0.0003","16.0445","0.0003","16.4939","0.0003","90","","95.959","0.001","90","","3687.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(1-phenyl-3-{(<i>Z</i>)-[phenyl(pyridin-2-yl)methylidene]amino- κ^2^<i>N</i>,<i>N</i>'}urea-κ<i>O</i>)nickel(II) dinitrate","","- C38 H32 N10 Ni O8 -","- C38 H32 N10 Ni O8 -","- C152 H128 N40 Ni4 O32 -","4","1","XU5561","Aiswarya, N.; Jacob, Jinsa Mary; Prathapachandra Kurup, M. R.; Ng, Seik Weng","Bis(1-phenyl-3-{(<i>Z</i>)-[phenyl(pyridin-2-yl)methylidene]amino-κ^2^<i>N</i>,<i>N</i>'}urea-κ<i>O</i>)nickel(II) dinitrate","Acta Crystallographica Section E","2012","68","7","m918","","10.1107/S1600536812026207","","","0.71073","MoKα","","0.0843","0.053","","","0.1369","0.1689","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235688","9.8343","0.0013","11.3087","0.0015","13.723","0.002","73.914","0.002","70.671","0.001","83.965","0.002","1383.6","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua[μ~5~-5-(isonicotinamido)isophthalato][μ~4~-5- (isonicotinamido)isophthalato]holmium(III)silver(I)] dihydrate]","","- C28 H22 Ag Ho N4 O13 -","- C28 H22 Ag Ho N4 O13 -","- C56 H44 Ag2 Ho2 N8 O26 -","2","1","XU5562","Nie, Xue; Qu, Jing-Nian","Poly[[aqua[μ~5~-5-(isonicotinamido)isophthalato][μ~4~-5-(isonicotinamido)isophthalato]holmium(III)silver(I)] dihydrate]","Acta Crystallographica Section E","2012","68","7","m1004","m1005","10.1107/S1600536812028620","","","0.71073","MoKα","","0.0533","0.0397","","","0.0979","0.1036","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235689","17.784","0.003","6.2264","0.0004","13.6226","0.0018","90","","102.7","0.004","90","","1471.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-5-(4,5-dihydro-1<i>H</i>-imidazol- 2-yl)thieno[2,3-<i>b</i>]pyridin-4-amine","","- C16 H13 Cl N4 S -","- C16 H13 Cl N4 S -","- C64 H52 Cl4 N16 S4 -","4","1","XU5563","Bernardino, Alice M. R.; Pinheiro, Luiz C. S.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","<i>N</i>-(4-Chlorophenyl)-5-(4,5-dihydro-1<i>H</i>-imidazol-2-yl)thieno[2,3-<i>b</i>]pyridin-4-amine","Acta Crystallographica Section E","2012","68","7","o2135","o2136","10.1107/S160053681202658X","","","0.71073","MoKα","","0.201","0.0792","","","0.1669","0.2173","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235690","7.7633","0.0002","9.8173","0.0003","9.8222","0.0003","78.26","0.003","71.489","0.002","86.584","0.003","695.01","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide- κ<i>N</i>^1^)nickel(II)","","- C28 H26 N4 Ni O10 -","- C28 H26 N4 Ni O10 -","- C28 H26 N4 Ni O10 -","1","0.5","XU5564","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)nickel(II)","Acta Crystallographica Section E","2012","68","7","m946","m947","10.1107/S1600536812026943","","","0.71073","MoKα","","0.0237","0.0234","","","0.0624","0.0626","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235691","17.085","0.004","5.6807","0.0011","15.689","0.003","90","","113.152","0.004","90","","1400.1","0.5","150","","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(4-Methylphenyl)-3-phenylcyclohex-2-en-1-one","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","XU5565","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Singh, Kuldip; Allah, Omyma A. A. Abd","5-(4-Methylphenyl)-3-phenylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","7","o2157","","10.1107/S1600536812027031","","","0.71073","MoKα","","0.0994","0.0526","","","0.0992","0.1138","","","","","","0.896","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235692","9.564","0.003","10.722","0.003","20.805","0.006","87.294","0.005","83.226","0.005","74.991","0.005","2046","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dicyclohexylammonium 3,5-dinitrobenzoate","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","2","XU5566","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Wong, Wing-Tak","Dicyclohexylammonium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2012","68","7","o2168","","10.1107/S1600536812027389","","","0.71073","MoKα","","0.1467","0.0543","","","0.1222","0.1586","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235693","7.4603","0.0012","11.2881","0.0018","11.5861","0.0019","99.229","0.003","99.802","0.003","93.487","0.003","945.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(3-Methylbutoxy)-5-nitrobenzamido]acetic acid dimethyl sulfoxide monosolvate","","- C16 H24 N2 O7 S -","- C16 H24 N2 O7 S -","- C32 H48 N4 O14 S2 -","2","1","XU5567","Yang, Yun-Xia; Ng, Seik Weng","2-[2-(3-Methylbutoxy)-5-nitrobenzamido]acetic acid dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","7","o2170","","10.1107/S1600536812027316","","","0.71073","MoKα","","0.0822","0.0571","","","0.1285","0.1435","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235694","6.2509","0.0005","9.1327","0.0008","18.6566","0.0016","90","","92.134","0.002","90","","1064.32","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-<i>tert</i>-Butyl-1-(4-nitroamino-1,2,5-oxadiazol-3-yl)diazene 1-oxide","","- C6 H10 N6 O4 -","- C6 H10 N6 O4 -","- C24 H40 N24 O16 -","4","1","XU5568","Li, Xiang-Zhi; Wang, Bo-Zhou; Fan, Xue-Zhong; Ng, Seik Weng","2-<i>tert</i>-Butyl-1-(4-nitroamino-1,2,5-oxadiazol-3-yl)diazene 1-oxide","Acta Crystallographica Section E","2012","68","7","o2171","","10.1107/S1600536812027353","","","0.71073","MoKα","","0.0678","0.0503","","","0.1495","0.1662","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235695","12.6323","0.0005","19.8608","0.0007","5.1267","0.0002","90","","90","","90","","1286.23","0.08","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","6-Amino-4-(3-iodoanilino)-2-methylpyrimidin-1-ium chloride","","- C11 H12 Cl I N4 -","- C11 H12 Cl I N4 -","- C44 H48 Cl4 I4 N16 -","4","1","XU5569","Zaghary, Wafaa A.; Geffken, Detlef; Ng, Seik Weng","6-Amino-4-(3-iodoanilino)-2-methylpyrimidin-1-ium chloride","Acta Crystallographica Section E","2012","68","7","o2235","","10.1107/S1600536812028401","","","0.71073","MoKα","","0.035","0.0318","","","0.0752","0.0777","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235696","8.394","0.0006","15.2928","0.0015","14.8606","0.0009","90","","103.377","0.005","90","","1855.9","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dibromido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethyl sulfoxide-κ<i>O</i>)cadmium","","- C14 H18 Br2 Cd N2 O S -","- C14 H18 Br2 Cd N2 O S -","- C56 H72 Br8 Cd4 N8 O4 S4 -","4","1","XU5571","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethyl sulfoxide-κ<i>O</i>)cadmium","Acta Crystallographica Section E","2012","68","7","m1006","m1007","10.1107/S1600536812028553","","","0.71073","MoKα","","0.0648","0.041","","","0.0798","0.086","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235697","7.6443","0.0003","9.6909","0.0005","9.9852","0.0005","67.003","0.005","80.869","0.004","76.108","0.004","659.26","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","8-Methyl-2-oxo-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C30 H28 N4 O2 S2 -","2","1","XU5572","Asiri, Abdullah M.; Faidallah, Hassan M.; Saqer, Alaa Anwar Ahmad; Ng, Seik Weng; Tiekink, Edward R. T.","8-Methyl-2-oxo-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2012","68","7","o2291","o2292","10.1107/S160053681202836X","","","0.71073","MoKα","","0.1089","0.0881","","","0.213","0.23","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235698","15.7556","0.0009","9.1789","0.0004","16.7515","0.001","90","","111.718","0.007","90","","2250.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(3-Phenyl-3,3a,4,5-tetrahydro-2<i>H</i>-benzo[<i>g</i>]indazol- 2-yl)benzenesulfonamide ethanol monosolvate","","- C25 H27 N3 O3 S -","- C25 H27 N3 O3 S -","- C100 H108 N12 O12 S4 -","4","1","XU5573","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-(3-Phenyl-3,3a,4,5-tetrahydro-2<i>H</i>-benzo[<i>g</i>]indazol-2-yl)benzenesulfonamide ethanol monosolvate","Acta Crystallographica Section E","2012","68","7","o2258","o2259","10.1107/S1600536812028474","","","0.71073","MoKα","","0.0745","0.0544","","","0.141","0.1564","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235699","8.0763","0.0016","8.2183","0.0016","10.116","0.002","76.22","0.03","69.36","0.03","85.94","0.03","610.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-[4-(Azidomethyl)phenyl]benzonitrile","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","1","XU5575","Peng, Bo","2-[4-(Azidomethyl)phenyl]benzonitrile","Acta Crystallographica Section E","2012","68","7","o2297","","10.1107/S1600536812029261","","","0.71073","MoKα","","0.1096","0.0582","","","0.1252","0.1459","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235700","7.3523","0.0004","9.6349","0.0005","13.9495","0.0007","98.37","0.001","91.778","0.001","106.291","0.001","935.7","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","XU5576","Kurbanova, Malahat M.; Huseynov, Elnur Z.; Gurbanov, Atash V.; Maharramov, Abel M.; Ng, Seik Weng","Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2233","","10.1107/S1600536812028371","","","0.71073","MoKα","","0.058","0.0463","","","0.1254","0.1346","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235701","13.565","0.0005","6.7845","0.0003","31.2031","0.0011","90","","95.665","0.003","90","","2857.65","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyrazine-2- carboxamide-κ<i>N</i>^4^)cadmium‒pyrazine-2-carboxamide (1/2)","","- C20 H24 Cd N14 O12 -","- C20 H24 Cd N14 O12 -","- C80 H96 Cd4 N56 O48 -","4","0.5","XU5577","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Diaquabis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyrazine-2-carboxamide-κ<i>N</i>^4^)cadmium‒pyrazine-2-carboxamide (1/2)","Acta Crystallographica Section E","2012","68","7","m1008","m1009","10.1107/S1600536812028577","","","0.71073","MoKα","","0.0592","0.0394","","","0.0647","0.0687","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235702","18.179","0.003","12.4052","0.0016","4.4529","0.0005","90","","90","","90","","1004.2","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Ethoxymethyl-1,4-dihydroquinolin-4-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","XU5578","Zaghary, Wafaa A.; Al-Wabli, Reem I.; Ng, Seik Weng","3-Ethoxymethyl-1,4-dihydroquinolin-4-one","Acta Crystallographica Section E","2012","68","7","o2234","","10.1107/S1600536812028383","","","0.71073","MoKα","","0.0947","0.0553","","","0.0968","0.1161","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235703","7.8175","0.0002","9.6539","0.0003","9.8361","0.0003","77.053","0.003","74.041","0.002","87.295","0.003","695.49","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide- κ<i>N</i>^1^)copper(II)","","- C28 H26 Cu N4 O10 -","- C28 H26 Cu N4 O10 -","- C28 H26 Cu N4 O10 -","1","0.5","XU5579","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section E","2012","68","7","m1010","m1011","10.1107/S1600536812028814","","","0.71073","MoKα","","0.0269","0.0252","","","0.0649","0.0657","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235704","7.451","0.0015","8.915","0.0018","11.249","0.002","90","","93.45","0.03","90","","745.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitro-1-benzofuran-2(3<i>H</i>)-one","","- C8 H5 N O4 -","- C8 H5 N O4 -","- C32 H20 N4 O16 -","4","1","YK2051","Han, Xin-Yi; Shi, Ya-Bin; Shen, Hong; Bai, Shu-Yuan; Wang, Hai-Bo","5-Nitro-1-benzofuran-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2029","","10.1107/S1600536812025093","","","0.71073","MoKα","","0.0598","0.0459","","","0.1304","0.1463","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235705","10.312","0.002","14.997","0.003","15.666","0.003","90","","90","","90","","2422.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Dichloroacetyl-8a-methyl-1,2,3,4,6,7,8,8a- octahydropyrrolo[1,2-<i>a</i>]pyrimidin-6-one","","- C10 H14 Cl2 N2 O2 -","- C10 H14 Cl2 N2 O2 -","- C80 H112 Cl16 N16 O16 -","8","1","YK2055","Gao, Shuang; Zhao, Li-xia; Ye, Fei; Fu, Ying; Xing, Zhi-yong","1-Dichloroacetyl-8a-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-<i>a</i>]pyrimidin-6-one","Acta Crystallographica Section E","2012","68","7","o1982","","10.1107/S1600536812024063","","","0.71073","MoKα","","0.0572","0.0522","","","0.1505","0.1558","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235706","6.1024","0.0003","25.303","0.0011","10.684","0.0005","90","","90.231","0.001","90","","1649.69","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Cyclopentyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C20 H19 F O2 S -","- C20 H19 F O2 S -","- C80 H76 F4 O8 S4 -","4","1","YK2058","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","7","o2028","","10.1107/S1600536812025482","","","0.71073","MoKα","","0.0658","0.0595","","","0.1578","0.1651","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235707","8.3998","0.0017","23.145","0.005","7.7967","0.0016","90","","117.28","0.03","90","","1347.2","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(Chloromethyl)phenoxy]-4,6-dimethoxypyrimidine","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C52 H52 Cl4 N8 O12 -","4","1","YK2059","Shen, Shi-Hong; Hu, Kui; Sun, Li; Fan, Xiao-Long; Dai, Hong","2-[4-(Chloromethyl)phenoxy]-4,6-dimethoxypyrimidine","Acta Crystallographica Section E","2012","68","7","o2109","","10.1107/S1600536812026220","","","0.71073","MoKα","","0.0655","0.0535","","","0.1262","0.1344","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235708","12.2138","0.0004","12.2138","0.0004","9.909","0.0008","90","","90","","120","","1280.15","0.12","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","Tris[hexaamminecobalt(III)] bis[trioxalatocobaltate(II)] chloride dodecahydrate","","- C12 H78 Cl Co5 N18 O36 -","- C12 H78 Cl Co5 N18 O36 -","- C12 H78 Cl Co5 N18 O36 -","1","0.166667","YK2060","Tian, Ruijng; Yan, Yan; Zhang, Cailing; Wang, Liyan; Pan, Qinhe","Tris[hexaamminecobalt(III)] bis[trioxalatocobaltate(II)] chloride dodecahydrate","Acta Crystallographica Section E","2012","68","7","m914","m915","10.1107/S1600536812026414","","","0.71073","MoKα","","0.0491","0.0362","","","0.0993","0.1078","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235709","15.139","0.005","11.428","0.005","16.76","0.005","90","","90","","90","","2899.6","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","L3","1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane","","- C36 H32 N6 O2 -","- C36 H32 N6 O2 -","- C144 H128 N24 O8 -","4","0.5","YK2063","Nikolayenko, Varvara I.; Akerman, Matthew P.; Grimmer, Craig D.; Reddy, Desigan","1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane","Acta Crystallographica Section E","2012","68","7","o2272","o2273","10.1107/S1600536812029017","","","0.71073","MoKα","","0.0572","0.038","","","0.0951","0.0995","","","","","","0.944","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235710","10.041","0.005","13.662","0.004","20.928","0.005","90","","93.916","0.005","90","","2864.2","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)cyclopentanamine- κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(trifluoromethanesulfonate)","","- C60 H58 F6 N2 O6 P4 Pt S2 -","- C60 H58 F6 N2 O6 P4 Pt S2 -","- C120 H116 F12 N4 O12 P8 Pt2 S4 -","2","0.5","ZB2023","Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas","Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)cyclopentanamine-κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2012","68","7","m916","m917","10.1107/S1600536812026359","","","0.71073","MoKα","","0.0695","0.0395","","","","0.0929","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235711","8.351","0.004","12.461","0.006","11.912","0.006","90","","100.315","0.009","90","","1219.6","1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Fluorophenyl)-3-(4-nitrophenyl)urea","","- C13 H10 F N3 O3 -","- C13 H10 F N3 O3 -","- C52 H40 F4 N12 O12 -","4","1","ZJ2072","Lin, Mu-Sen; Shi, Yu; Zhang, Shi-Yu; Li, Yi-Liang","1-(3-Fluorophenyl)-3-(4-nitrophenyl)urea","Acta Crystallographica Section E","2012","68","7","o2030","","10.1107/S160053681202507X","","","0.71073","MoKα","","0.0621","0.0516","","","0.124","0.1309","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235712","8.5855","0.0006","15.6618","0.001","9.3156","0.0006","90","","90","","90","","1252.62","0.14","100","2","100","2","","","","","","","","2","C c m b","-C 2ac 2ac","64","","Pentacyclo[9.3.1.1^2,6^.1^4,8^.1^9,13^]octadeca-1(2),8(9)-diene","","- C18 H24 -","- C18 H24 -","- C72 H96 -","4","","ZJ2078","Ioannou, Savvas; Moushi, Eleni","Pentacyclo[9.3.1.1^2,6^.1^4,8^.1^9,13^]octadeca-1(2),8(9)-diene","Acta Crystallographica Section E","2012","68","7","o2150","","10.1107/S1600536812026785","","","0.71073","MoKα","","0.0533","0.0425","","","0.1133","0.1169","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2235713","6.226","0.00001","8.3968","0.0002","33.5357","0.0007","90","","90","","90","","1753.2","0.06","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","3,9'-Bi(9<i>H</i>-fluorene)","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","ZJ2080","Liu, Jie; Yu, Wentao","3,9'-Bi(9<i>H</i>-fluorene)","Acta Crystallographica Section E","2012","68","7","o2081","","10.1107/S1600536812024841","","","0.71073","MoKα","","0.0439","0.0349","","","0.0852","0.091","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235714","10.1701","0.0005","16.5521","0.0005","11.169","0.0005","90","","114.69","0.005","90","","1708.27","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}ethanone","","- C19 H20 F2 N2 O -","- C19 H20 F2 N2 O -","- C76 H80 F8 N8 O4 -","4","1","ZJ2086","Dayananda, A. S.; Yathirajan, H. S.; Keeley, Amanda C.; Jasinski, Jerry P.","1-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}ethanone","Acta Crystallographica Section E","2012","68","7","o2237","","10.1107/S1600536812028097","","","1.54178","CuKα","","0.0612","0.0535","","","0.1467","0.1546","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235715","9.9178","0.0002","8.2235","0.0002","28.4388","0.0008","90","","96.115","0.002","90","","2306.24","0.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzylsulfanyl-4-[(4-methylphenyl)sulfanyl]-6-pentylpyrimidine-5-carbonitrile","","- C24 H25 N3 S2 -","- C24 H25 N3 S2 -","- C96 H100 N12 S8 -","4","1","ZL2483","El-Emam, Ali A.; Al-Deeb, Omar A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Benzylsulfanyl-4-[(4-methylphenyl)sulfanyl]-6-pentylpyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","7","o2054","","10.1107/S1600536812025275","","","1.54184","CuKα","","0.0551","0.0441","","","0.1237","0.1376","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235716","24.932","0.002","8.4963","0.0003","18.1748","0.0013","90","","133.148","0.007","90","","2808.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(cyanato-κ<i>N</i>)tetrakis(2,6-dimethylpyrazine-κ<i>N</i>^4^)nickel(II)","","- C26 H32 N10 Ni O2 -","- C26 H32 N10 Ni O2 -","- C104 H128 N40 Ni4 O8 -","4","0.5","ZL2488","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Bis(cyanato-κ<i>N</i>)tetrakis(2,6-dimethylpyrazine-κ<i>N</i>^4^)nickel(II)","Acta Crystallographica Section E","2012","68","7","m970","","10.1107/S1600536812027985","","","0.71073","MoKα","","0.0618","0.0386","","","0.093","0.1019","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235717","11.069","0.002","7.3093","0.0015","13.718","0.005","90","","125.737","0.019","90","","900.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloroanilinium perchlorate","","- C6 H7 Cl2 N O4 -","- C6 H7 Cl2 N O4 -","- C24 H28 Cl8 N4 O16 -","4","1","ZQ2165","Zhou, Benhua; Cai, Jin","2-Chloroanilinium perchlorate","Acta Crystallographica Section E","2012","68","7","o2113","","10.1107/S1600536812023963","","","0.71073","MoKα","","0.055","0.0457","","","0.0876","0.0893","","","","","","2.256","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235718","11.061","0.0005","7.584","0.0004","22.642","0.0011","90","","90","","90","","1899.36","0.16","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-4-[(1<i>E</i>)-2-nitroprop-1-en-1-yl]benzene","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","1","ZQ2167","Li, Zhao-Bo; Shen, Li-Li; Zheng, Jian-An","1-Methyl-4-[(1<i>E</i>)-2-nitroprop-1-en-1-yl]benzene","Acta Crystallographica Section E","2012","68","7","o2065","","10.1107/S1600536812025913","","","0.71073","MoKα","","0.0722","0.0445","","","0.1141","0.1344","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235719","12.6608","0.0015","6.1508","0.0007","19.223","0.002","90","","95.142","0.002","90","","1490.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(3-methylphenyl)piperazine-2,5-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","ZQ2169","Liu, Yongjun; Sun, Xuefeng; Wen, Yonghong","1,4-Bis(3-methylphenyl)piperazine-2,5-dione","Acta Crystallographica Section E","2012","68","7","o2115","","10.1107/S1600536812026372","","","0.71073","MoKα","","0.072","0.0517","","","0.124","0.1368","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235720","7.686","0.0016","15.841","0.003","9.0624","0.0014","90","","117.813","0.013","90","","975.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Sulfonyldipyrazine 4-oxide","","- C8 H6 N4 O3 S -","- C8 H6 N4 O3 S -","- C32 H24 N16 O12 S4 -","4","1","ZQ2171","Li, Ai-Min; Zhang, Ya; Wang, Zhi-Wei; Wan, Chong-Qing","2,2'-Sulfonyldipyrazine 4-oxide","Acta Crystallographica Section E","2012","68","7","o2285","","10.1107/S1600536812028607","","","0.71073","MoKα","","0.0919","0.0632","","","0.182","0.2033","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235721","16.1967","0.001","15.2274","0.001","10.4686","0.0006","90","","113.199","0.001","90","","2373.1","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)diiodidopalladium(II)","","- C8 H6 I2 N4 Pd -","- C8 H6 I2 N4 Pd -","- C64 H48 I16 N32 Pd8 -","8","1","ZQ2173","Ha, Kwang","(2,2'-Bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)diiodidopalladium(II)","Acta Crystallographica Section E","2012","68","7","m974","","10.1107/S1600536812028292","","","0.71073","MoKα","","0.0298","0.0208","","","0.0453","0.0526","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235722","19.079","0.0008","9.9445","0.0004","17.5663","0.0008","90","","102.386","0.001","90","","3255.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Bis[bis(4-methoxyphenyl)phosphanyl]ferrocene","","- C38 H36 Fe O4 P2 -","- C38 H36 Fe O4 P2 -","- C152 H144 Fe4 O16 P8 -","4","0.5","ZS2202","Ren, Xinfeng; Wang, Le; Li, Ya","1,1'-Bis[bis(4-methoxyphenyl)phosphanyl]ferrocene","Acta Crystallographica Section E","2012","68","7","m922","","10.1107/S1600536812026293","","","0.71073","MoKα","","0.0273","0.0259","","","0.0679","0.0695","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235723","8.1943","0.001","11.0948","0.0017","11.8333","0.0018","90","","94.383","0.014","90","","1072.7","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4,6-Dichloro-1,3,5-triazin-2-yl)-2,2-dimethyl-1,3-oxazolidine","","- C8 H10 Cl2 N4 O -","- C8 H10 Cl2 N4 O -","- C32 H40 Cl8 N16 O4 -","4","1","ZS2206","Zou, Ye-cheng; Hu, Zhi-yong; Cao, Duan-lin","3-(4,6-Dichloro-1,3,5-triazin-2-yl)-2,2-dimethyl-1,3-oxazolidine","Acta Crystallographica Section E","2012","68","7","o2142","","10.1107/S1600536812026578","","","0.71073","MoKα","","0.0592","0.0381","","","0.0781","0.0884","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235724","8.7711","0.0007","15.7261","0.0013","6.8539","0.0005","90","","117.455","0.002","90","","838.92","0.12","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Amino-5-methylpyridinium nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","ZS2211","Yan, Xingchen; Fan, Yuhua; Bi, Caifeng; Zuo, Jian; Zhang, Zhongyu","2-Amino-5-methylpyridinium nitrate","Acta Crystallographica Section E","2012","68","7","o2084","","10.1107/S1600536812025196","","","0.71073","MoKα","","0.0479","0.039","","","0.0984","0.1087","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235725","7.6683","0.0003","17.8013","0.0007","9.7574","0.0004","90","","106.506","0.004","90","","1277.05","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(5-Oxo-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)benzonitrile","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C64 H44 N12 O4 -","4","1","ZS2212","Li, Ling; Tong, Rong-sheng; Li, Jin-qi; Shi, Jian-you","3-(5-Oxo-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)benzonitrile","Acta Crystallographica Section E","2012","68","7","o2230","","10.1107/S1600536812027444","","","0.7107","MoKα","","0.079","0.0475","","","0.0988","0.1189","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235726","36.3639","0.0006","10.11949","0.0001","8.77097","0.0001","90","","90","","90","","3227.58","0.07","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[benzyl <i>N'</i>-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^ <i>N</i>',<i>S</i>]mercury(II)","","- C34 H30 Hg N4 S4 -","- C34 H30 Hg N4 S4 -","- C136 H120 Hg4 N16 S16 -","4","0.5","ZS2213","Islam, M. A. A. A. A.; Reza, M. S.; Tarafder, M. T. H.; Sheikh, M. C.; Zangrando, E.","Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^<i>N</i>',<i>S</i>]mercury(II)","Acta Crystallographica Section E","2012","68","7","m924","m925","10.1107/S1600536812025901","","","1.54187","CuKα","","","0.0379","","","","0.0972","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235727","6.0428","0.0002","17.2269","0.0007","11.301","0.0004","90","","94.663","0.004","90","","1172.53","0.07","150","2","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-{[4-(Hydroxymethyl)piperidin-1-yl]methyl}phenol","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","ZS2215","Simões, M. C. R.; Landre, I. M. R.; Moreira, M. S.; Viegas, Jr, C.; Doriguetto, A. C.","4-{[4-(Hydroxymethyl)piperidin-1-yl]methyl}phenol","Acta Crystallographica Section E","2012","68","7","o2275","o2276","10.1107/S1600536812028838","","","0.71073","MoKα","","0.0388","0.0334","","","","0.0843","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235728","14.0185","0.0015","13.1232","0.0014","15.0141","0.0016","90","","96.853","0.002","90","","2742.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl (<i>E</i>)-3-hydroxy-2-{<i>N</i>-[2- (thiophen-2-yl)ethenyl]carbamoyl}but-2-enoate","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C104 H120 N8 O32 S8 -","8","2","ZS2216","Liu, Bao-Shuo; Zhao, Sheng-Yin","Ethyl (<i>E</i>)-3-hydroxy-2-{<i>N</i>-[2-(thiophen-2-yl)ethenyl]carbamoyl}but-2-enoate","Acta Crystallographica Section E","2012","68","7","o2284","","10.1107/S1600536812028176","","","0.71073","MoKα","","0.0802","0.0569","","","0.1582","0.1793","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235729","15.06","0.002","6.6997","0.0011","16.649","0.003","90","","90","","90","","1679.8","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methoxy-1,3-benzothiazol-2-amine","","- C8 H8 N2 O S -","- C8 H8 N2 O S -","- C64 H64 N16 O8 S8 -","8","1","ZS2217","Saeed, Aamer; Rafique, Hummera; Flörke, Ulrich","6-Methoxy-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","7","o2240","","10.1107/S1600536812028152","","","0.71073","MoKα","","0.0387","0.0333","","","0.0901","0.0939","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235730","18.426","0.004","6.9082","0.0014","18.583","0.004","90","","111.98","0.03","90","","2193.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[pentaaqua(μ~4~-pyridine-2,4,6-tricarboxylato)(μ~3~-pyridine- 2,4,6-tricarboxylato)diterbium(III)] monohydrate]","","- C16 H16 N2 O18 Tb2 -","- C16 H16 N2 O18 Tb2 -","- C64 H64 N8 O72 Tb8 -","4","1","BG2463","Yu, Xiao-Ke; Zhu, Hong-Lin","Poly[[pentaaqua(μ~4~-pyridine-2,4,6-tricarboxylato)(μ~3~-pyridine-2,4,6-tricarboxylato)diterbium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","8","m1133","m1134","10.1107/S1600536812032898","","","0.71073","MoKα","","0.0238","0.02","","","0.0443","0.0447","","","","","","1.197","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235731","7.7175","0.0011","8.7399","0.0012","23.973","0.003","92.986","0.002","98.485","0.003","92.611","0.003","1594.8","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","1,3-Phenylene bis{3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate}","","- C34 H18 Cl2 F6 O6 -","- C34 H18 Cl2 F6 O6 -","- C68 H36 Cl4 F12 O12 -","2","1","BG2468","Peng, Hao; He, Hongwu","1,3-Phenylene bis{3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate}","Acta Crystallographica Section E","2012","68","8","o2437","","10.1107/S1600536812030826","","","0.71073","MoKα","","0.1216","0.0791","","","0.2254","0.2565","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235732","16.4082","0.0008","14.729","0.0006","15.447","0.0008","90","","107.268","0.005","90","","3564.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[4-(2-Chlorobenzoyl)-2,6-dimethylphenoxy]ethanoate","","- C19 H19 Cl O4 -","- C19 H19 Cl O4 -","- C152 H152 Cl8 O32 -","8","2","BG2469","Prashanth, T.; Ranganatha, V. Lakshmi; Usha, M. K.; Khanum, Shaukath Ara; Revannasiddaiah, D.; Anthal, Sumati; Kant, Rajni; Gupta, Vivek K.","Ethyl 2-[4-(2-chlorobenzoyl)-2,6-dimethylphenoxy]ethanoate","Acta Crystallographica Section E","2012","68","8","o2435","","10.1107/S1600536812030693","","","0.71073","MoKα","","0.1345","0.0642","","","0.1499","0.1914","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235733","7.0282","0.0003","14.9715","0.0007","6.8472","0.0003","90","","108.907","0.001","90","","681.61","0.05","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Bromo-2-hydroxybenzaldehyde","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C28 H20 Br4 O8 -","4","1","BG2472","Metlay, Jessica B.; Tanski, Joseph M.","3-Bromo-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2012","68","8","o2484","","10.1107/S1600536812031510","","","0.71073","MoKα","","0.0251","0.0193","","","0.0453","0.0475","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235734","9.543","0.002","11.121","0.002","11.381","0.002","70.03","0.03","71.27","0.03","88.03","0.03","1071.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O'</i>')[2-(4-oxo-1,4- dihydroquinolin-1-yl)acetato-κ<i>O</i>^1^]copper(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>']","","- C23 H21 Cu N3 O6 -","- C23 H21 Cu N3 O6 -","- C46 H42 Cu2 N6 O12 -","2","1","BG2474","Wang, Jun; Dai, Chuntao; Nie, Jianhua","<i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>')[2-(4-oxo-1,4-dihydroquinolin-1-yl)acetato-κ<i>O</i>^1^]copper(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2012","68","8","m1132","","10.1107/S160053681203303X","","","0.71073","MoKα","","0.044","0.0346","","","0.0812","0.0867","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235735","21.637","0.002","5.9532","0.0004","24.749","0.002","90","","109.519","0.01","90","","3004.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[3,5-Bis(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]- 4,6-bis(4-methoxyphenyl)pyrimidine","","- C35 H32 N4 O4 -","- C35 H32 N4 O4 -","- C140 H128 N16 O16 -","4","1","BH2441","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Samshuddin, S.; Narayana, B.","2-[3,5-Bis(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4,6-bis(4-methoxyphenyl)pyrimidine","Acta Crystallographica Section E","2012","68","8","o2398","","10.1107/S1600536812030516","","","0.71073","MoKα","","0.0912","0.0517","","","0.1342","0.145","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235736","8.19","0.003","8.293","0.004","11.465","0.005","105.794","0.005","90.8094","0.0016","118.154","0.005","651.3","0.5","100","","100","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>-(4-Methoxybenzyl)phthalimide","2-(4-methoxybenzyl)isoindoline-1,3-dione","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","BH2442","Takahashi, Hiroki","<i>N</i>-(4-Methoxybenzyl)phthalimide: a triclinic polymorph","Acta Crystallographica Section E","2012","68","8","o2457","o2458","10.1107/S1600536812031376","","","0.71075","MoKα","","0.0435","0.0336","","","0.084","0.087","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235737","25.0742","0.0013","10.2759","0.0005","20.7156","0.0009","90","","119.736","0.0013","90","","4634.7","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-[(<i>E</i>)-3-(4-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5- dimethylcyclohex-2-en-1-one)","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C200 H232 N8 O48 -","8","1","BH2444","Cha, Joo Hwan; Cho, Yong Seo; Lee, Jae Kyun; Park, Junghwan; Sato, Hiroyasu","2,2'-[(<i>E</i>)-3-(4-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2012","68","8","o2510","","10.1107/S1600536812032242","","","0.71075","MoKα","","","0.0423","","","","0.1349","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235738","8.818","0.002","13.764","0.002","7.918","0.002","90","","90","","90","","961","0.4","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Propane-1,3-diammonium dichromate(VI)","","- C3 H12 Cr2 N2 O7 -","- C3 H12 Cr2 N2 O7 -","- C12 H48 Cr8 N8 O28 -","4","0.5","BH2445","Trabelsi, Sonia; Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed","Propane-1,3-diammonium dichromate(VI)","Acta Crystallographica Section E","2012","68","8","m1056","","10.1107/S1600536812031042","","","0.56083","AgKα","","0.0502","0.0324","","","0.0887","0.0956","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235739","10.922","0.0003","11.6071","0.0004","12.0283","0.0004","78.452","0.002","82.775","0.002","79.146","0.002","1461.11","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3,5-Di-<i>tert</i>-butyl-2-ethoxybenzylidene)[2-(3,5-di-<i>tert</i>- butyl-1<i>H</i>-pyrazol-1-yl)ethyl]amine","","- C30 H49 N3 O -","- C30 H49 N3 O -","- C60 H98 N6 O2 -","2","1","BH2447","Spencer, Lara C.; Guzei, Ilia A.; Ainooson, Michael K.; Darkwa, James","(3,5-Di-<i>tert</i>-butyl-2-ethoxybenzylidene)[2-(3,5-di-<i>tert</i>-butyl-1<i>H</i>-pyrazol-1-yl)ethyl]amine","Acta Crystallographica Section E","2012","68","8","o2515","o2516","10.1107/S160053681203231X","","","1.54178","CuKα","","0.0798","0.0456","","","0.1086","0.1234","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235740","4.7376","0.0005","13.27","0.002","11.7265","0.0016","90","","98.459","0.004","90","","729.2","0.17","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-4-Amino-<i>N</i>'-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","BQ2366","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-4-Amino-<i>N</i>'-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","8","o2321","o2322","10.1107/S1600536812026633","","","0.71073","MoKα","","0.0446","0.0353","","","0.0796","0.0852","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235741","12.813","0.003","16.453","0.003","8.947","0.0018","90","","97.68","0.03","90","","1869.2","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1,5-Diphenyl-1<i>H</i>-pyrazol-3-yloxy)-1-(2-sulfanylidene-1,3- thiazolidin-3-yl)ethanone","","- C20 H17 N3 O2 S2 -","- C20 H17 N3 O2 S2 -","- C80 H68 N12 O8 S8 -","4","1","BQ2369","Li, Yi; Liu, Yuan-Yuan; Xiong, Xiao-Hui; Wei, Ping","2-(1,5-Diphenyl-1<i>H</i>-pyrazol-3-yloxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone","Acta Crystallographica Section E","2012","68","8","o2419","","10.1107/S1600536812029959","","","0.71073","MoKα","","0.1083","0.0676","","","0.1311","0.1485","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235742","8.029","0.0015","10.002","0.002","10.538","0.002","83.498","0.004","80.208","0.004","71.441","0.004","789","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Diiodido{2-[(4-methoxyphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}zinc","","- C13 H12 I2 N2 O Zn -","- C13 H12 I2 N2 O Zn -","- C26 H24 I4 N4 O2 Zn2 -","2","1","BR2207","Salehzadeh, Sadegh; Khalaj, Mehdi; Dehghanpour, Saeed","Diiodido{2-[(4-methoxyphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}zinc","Acta Crystallographica Section E","2012","68","8","m1041","","10.1107/S1600536812030486","","","0.71073","MoKα","","0.0284","0.0242","","","0.0589","0.0613","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235743","7.5547","0.0003","11.8792","0.0006","22.1103","0.001","90","","90","","90","","1984.26","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Isopropyl-2,6-bis(4-methoxyphenyl)piperidin-4-one","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","BT5928","Ravichandran, K.; Sethuvasan, S.; Thirunavukarasu, K.; Ponnuswamy, S.; Ponnuswamy, M. N.","3-Isopropyl-2,6-bis(4-methoxyphenyl)piperidin-4-one","Acta Crystallographica Section E","2012","68","8","o2453","","10.1107/S1600536812030966","","","0.71073","MoKα","","0.0791","0.0436","","","0.1052","0.1209","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235744","11.8187","0.0004","12.8241","0.0005","16.1837","0.0006","90","","105.28","0.002","90","","2366.16","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-methoxyphenyl)-2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)propanoate","","- C26 H24 N2 O3 Se -","- C26 H24 N2 O3 Se -","- C104 H96 N8 O12 Se4 -","4","1","BT5929","Sugumar, P.; Sankari, S.; Manisankar, P.; Ponnuswamy, M. N.","Ethyl 3-(4-methoxyphenyl)-2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)propanoate","Acta Crystallographica Section E","2012","68","8","o2347","","10.1107/S1600536812028322","","","0.71073","MoKα","","0.1023","0.0381","","","0.0883","0.1077","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235745","7.538","0.0003","12.6705","0.0006","7.9255","0.0004","90","","91.776","0.004","90","","756.6","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>R</i>)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","BT5939","Romero, Oscar; Ramírez, Johana; Terán, Joel L.; Flores-Alamo, Marcos; Juárez, Jorge R.","(<i>R</i>)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one","Acta Crystallographica Section E","2012","68","8","o2356","","10.1107/S1600536812025433","","","0.71073","MoKα","","0.0494","0.0441","","","","0.1141","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235746","9.3409","0.0006","11.7876","0.0007","11.831","0.0006","90","","94.727","0.003","90","","1298.24","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Benzyl-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H13 N O S -","- C16 H13 N O S -","- C64 H52 N4 O4 S4 -","4","1","BT5942","Sabari, V.; Selvakumar, R.; Bakthadoss, M.; Aravindhan, S.","(<i>Z</i>)-3-Benzyl-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2329","","10.1107/S1600536812029054","","","0.71073","MoKα","","0.0444","0.0363","","","0.0938","0.1001","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235747","9.5154","0.0002","5.4338","0.0001","10.7104","0.0002","90","","90","","90","","553.779","0.019","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Dinitrosoimidazolidine","","- C3 H6 N4 O2 -","- C3 H6 N4 O2 -","- C12 H24 N16 O8 -","4","1","BT5956","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","1,3-Dinitrosoimidazolidine","Acta Crystallographica Section E","2012","68","8","o2440","","10.1107/S1600536812030796","","","1.5418","CuKα","","0.0397","0.0394","","","0.1257","0.126","","","","","","2.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235748","16.4102","0.0006","16.4371","0.0006","20.0648","0.0007","90","","90","","90","","5412.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","{1'-Phenyl-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-<i>b</i>]quinoxaline- 11,3'-pyrrolizin]-2'-yl}(<i>p</i>-tolyl)methanone","","- C35 H29 N3 O -","- C35 H29 N3 O -","- C280 H232 N24 O8 -","8","1","BT5959","Srinivasan, T.; Suhitha, S.; Purushothaman, S.; Raghunathan, R.; Velmurugan, D.","{1'-Phenyl-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-<i>b</i>]quinoxaline-11,3'-pyrrolizin]-2'-yl}(<i>p</i>-tolyl)methanone","Acta Crystallographica Section E","2012","68","8","o2469","","10.1107/S1600536812031480","","","0.71073","MoKα","","0.101","0.0488","","","0.115","0.1438","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235749","5.0312","0.0002","10.9329","0.0006","11.0568","0.0007","105.711","0.005","100.02","0.005","93.037","0.004","573.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(2,5-dimethylphenyl)thiourea","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C22 H28 N4 O2 S2 -","2","1","BT5960","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(2,5-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2338","","10.1107/S1600536812029601","","","0.71073","MoKα","","0.0416","0.0361","","","0.0966","0.1012","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235750","4.9219","0.0002","16.8705","0.0007","13.4326","0.0006","90","","98.236","0.003","90","","1103.87","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4-Bis[(prop-2-ynyl)oxy]benzaldehyde","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","BT5961","Esakkiammal, M.; Selvarani, V.; Neelakantan, M. A.; Silambarasan, V.; Velmurugan, D.","2,4-Bis[(prop-2-ynyl)oxy]benzaldehyde","Acta Crystallographica Section E","2012","68","8","o2465","","10.1107/S1600536812031637","","","0.71073","MoKα","","0.0505","0.0393","","","0.1046","0.113","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235751","7.8475","0.0006","9.5987","0.0007","15.141","0.001","90.044","0.006","91.099","0.006","100.208","0.006","1122.24","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-Acetyl-1-(2,3-dichlorophenyl)thiourea","","- C9 H8 Cl2 N2 O S -","- C9 H8 Cl2 N2 O S -","- C36 H32 Cl8 N8 O4 S4 -","4","2","BT5964","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(2,3-dichlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2353","","10.1107/S1600536812030176","","","0.71073","MoKα","","0.0502","0.0414","","","0.099","0.1057","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235752","9.797","0.005","8.829","0.005","13.674","0.005","90","","91.907","0.005","90","","1182.1","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2-(2-hydroxymethyl)pyridine-κ^2^<i>N</i>,<i>O</i>](pivalato- κ<i>O</i>)copper(II)","","- C22 H32 Cu N2 O6 -","- C22 H32 Cu N2 O6 -","- C44 H64 Cu2 N4 O12 -","2","0.5","BT5967","Shaikh, M. Mobin; Mishra, Veenu; Ram, Priti; Birla, Anil","Bis[2-(2-hydroxymethyl)pyridine-κ^2^<i>N</i>,<i>O</i>](pivalato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2012","68","8","m1055","","10.1107/S1600536812030917","","","1.5418","CuKα","","0.0438","0.0401","","","0.1135","0.1189","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235753","11.9415","0.0011","11.432","0.001","10.5901","0.001","90","","97.087","0.002","90","","1434.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- κ<i>N</i>^2^)ethanamine-κ<i>N</i>]palladium(II) dichloromethane monosolvate","","- C8 H15 Cl4 N3 Pd -","- C8 H15 Cl4 N3 Pd -","- C32 H60 Cl16 N12 Pd4 -","4","1","BT5968","Obuah, Collins; Darkwa, James; Muller, Alfred","<i>cis</i>-Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)ethanamine-κ<i>N</i>]palladium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","8","m1103","","10.1107/S1600536812032308","","","0.71073","MoKα","","0.0343","0.0319","","","","0.085","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235754","9.5154","0.001","16.0667","0.0017","9.1097","0.001","90","","114.916","0.001","90","","1263.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,9,10,15,16-Hexaazatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadecane dihydrate","","- C10 H24 N6 O2 -","- C10 H24 N6 O2 -","- C40 H96 N24 O8 -","4","1","BT5969","How, Fiona N.-F.; Rahima, Z. A.; Tan, Yee Seng; Abdul Halim, S. Nadiah; Ng, Seik Weng","2,3,9,10,15,16-Hexaazatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadecane dihydrate","Acta Crystallographica Section E","2012","68","8","o2545","","10.1107/S1600536812030735","","","0.71073","MoKα","","0.0637","0.0429","","","0.1026","0.1159","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235755","5.1542","0.0005","22.237","0.003","12.0706","0.0013","90","","94.422","0.003","90","","1379.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide","","- C14 H12 F N O4 S -","- C14 H12 F N O4 S -","- C56 H48 F4 N4 O16 S4 -","4","1","BT5970","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Arshad, Muhammad Nadeem","<i>N</i>-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2433","","10.1107/S1600536812030863","","","0.71073","MoKα","","0.0567","0.0374","","","0.09","0.1013","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235756","22.539","0.003","16.4065","0.0017","19.852","0.002","90","","111.004","0.005","90","","6853.2","1.4","190","2","190","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-<i>cis</i>,<i>cis</i>-Dicarbonyldichlorido{1-[2- (diphenylphosphanyl)benzyl]-3-mesitylimidazol-2-ylidene}ruthenium(II) dichloromethane monosolvate","","- C34 H31 Cl4 N2 O2 P Ru -","- C34 H31 Cl4 N2 O2 P Ru -","- C272 H248 Cl32 N16 O16 P8 Ru8 -","8","1","BT5975","Domski, Gregory J.; Hohenboken, Sallie A.; Swenson, Dale C.","<i>rac</i>-<i>cis</i>,<i>cis</i>-Dicarbonyldichlorido{1-[2-(diphenylphosphanyl)benzyl]-3-mesitylimidazol-2-ylidene}ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","8","m1121","","10.1107/S1600536812032515","","","0.71073","MoKα","","0.0568","0.0378","","","0.086","0.0966","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235757","5.051","0.0007","9.973","0.001","12.503","0.002","69.15","0.01","89.43","0.01","84.07","0.01","585.18","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(2,4-dimethylphenyl)thiourea","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C22 H28 N4 O2 S2 -","2","1","BT5977","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(2,4-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2498","","10.1107/S1600536812032382","","","0.71073","MoKα","","0.0429","0.0367","","","0.0924","0.0967","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235758","5.7871","0.0001","18.3112","0.0005","20.3988","0.0004","90","","91.16","0.002","90","","2161.19","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Bis(4-butoxyphenyl)-1,1,1-trichloroethane","","- C22 H27 Cl3 O2 -","- C22 H27 Cl3 O2 -","- C88 H108 Cl12 O8 -","4","1","BT5980","Smith, Graham","2,2-Bis(4-butoxyphenyl)-1,1,1-trichloroethane","Acta Crystallographica Section E","2012","68","8","o2544","","10.1107/S1600536812032680","","","0.71073","MoKα","","0.0625","0.0473","","","0.1035","0.1103","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235759","9.1876","0.0002","19.5284","0.0005","17.9187","0.0005","90","","102.658","0.002","90","","3136.82","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>R</i>,3<i>S</i>,4<i>R</i>)-3,4-Isopropylidenedioxy-2- (phenylsulfonylmethyl)pyrrolidin-1-ol","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C112 H152 N8 O40 S8 -","8","4","BT5981","Flores, Mari Fe; Garcia, Pilar; M. Garrido, Narciso; Sanz, Francisca; Diez, David","(2<i>R</i>,3<i>S</i>,4<i>R</i>)-3,4-Isopropylidenedioxy-2-(phenylsulfonylmethyl)pyrrolidin-1-ol","Acta Crystallographica Section E","2012","68","8","o2560","","10.1107/S1600536812033028","","","1.54178","CuKα","","0.0519","0.0484","","","0.1314","0.1347","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235760","8.9856","0.0007","9.5794","0.0008","15.796","0.001","90","","103.12","0.008","90","","1324.18","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Chlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","BT5982","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2576","","10.1107/S1600536812033272","","","0.71073","MoKα","","0.0512","0.0389","","","0.092","0.1","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235761","8.3295","0.0004","11.0866","0.0007","14.5576","0.0008","90","","92.481","0.005","90","","1343.07","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","BT5983","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2577","","10.1107/S1600536812033429","","","0.71073","MoKα","","0.0437","0.0354","","","0.0892","0.0961","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235762","11.773","0.0011","11.9269","0.0012","15.4151","0.0017","106.696","0.001","100.382","0.001","110.289","0.002","1847.9","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","Bis[μ-bis(diphenylphosphanyl)methane- κ^2^<i>P</i>:<i>P</i>']bis[(isoquinoline-κ<i>N</i>)silver(I)] bis(trifluoromethanesulfonate)‒isoquinoline (1/1)","","- C79 H65 Ag2 F6 N3 O6 P4 S2 -","- C79 H65 Ag2 F6 N3 O6 P4 S2 -","- C79 H65 Ag2 F6 N3 O6 P4 S2 -","1","0.5","BV2206","Huang, Xu; Li, Jing; Qiu, Qi-Ming; Liu, Min; Jin, Qiong-Hua","Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis[(isoquinoline-κ<i>N</i>)silver(I)] bis(trifluoromethanesulfonate)‒isoquinoline (1/1)","Acta Crystallographica Section E","2012","68","8","m1022","m1023","10.1107/S1600536812029236","","","0.71073","MoKα","","0.0563","0.0377","","","0.0893","0.103","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235763","10.828","0.0016","6.2455","0.001","12.861","0.002","90","","91.177","0.002","90","","869.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>P</i>,<i>P</i>'-Diphenylethylenediphosphinic acid dihydrate","","- C14 H20 O6 P2 -","- C14 H20 O6 P2 -","- C28 H40 O12 P4 -","2","0.5","BV2207","Swor, Charles D.; Nell, Bryan P.; Zakharov, Lev N.; Tyler, David R.","<i>P</i>,<i>P</i>'-Diphenylethylenediphosphinic acid dihydrate","Acta Crystallographica Section E","2012","68","8","o2456","","10.1107/S1600536812030954","","","0.71073","MoKα","","0.0431","0.039","","","0.1045","0.1085","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235764","18.432","0.003","4.7414","0.0006","25.74","0.004","90","","92.284","0.004","90","","2247.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-κ<i>O</i>)bis(4,5-dimethylbenzene-1,2-diamine-κ<i>N</i>)zinc","","- C20 H30 N4 O4 Zn -","- C20 H30 N4 O4 Zn -","- C80 H120 N16 O16 Zn4 -","4","0.5","BV2208","Geiger, David K.","Bis(acetato-κ<i>O</i>)bis(4,5-dimethylbenzene-1,2-diamine-κ<i>N</i>)zinc","Acta Crystallographica Section E","2012","68","8","m1040","","10.1107/S160053681203036X","","","0.71073","MoKα","","0.038","0.0363","","","0.0931","0.0944","","","","","","1.12","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235765","5.5172","0.0002","16.6134","0.0006","19.6758","0.0006","90","","95.709","0.003","90","","1794.53","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl <i>N</i>-{3-[(3-chloro-1,4-dioxo-1,4- dihydronaphthalen-2-yl)amino]propyl}carbamate","","- C18 H21 Cl N2 O4 -","- C18 H21 Cl N2 O4 -","- C72 H84 Cl4 N8 O16 -","4","1","BX2415","Resende, Jackson A. L. C.; Gomez, Javier A.","<i>tert</i>-Butyl <i>N</i>-{3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]propyl}carbamate","Acta Crystallographica Section E","2012","68","8","o2361","","10.1107/S1600536812029674","","","1.5418","CuKα","","0.0493","0.037","","","","0.0963","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235766","4.6933","0.001","17.501","0.003","19.917","0.004","90","","90","","90","","1635.9","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>*)-Methyl 2-(2,6-dimethoxy-3,5-dinitrobenzamido)propanoate","","- C13 H15 N3 O9 -","- C13 H15 N3 O9 -","- C52 H60 N12 O36 -","4","1","BX2416","Li, Xiaofei; Tong, Yan","(<i>R</i>*)-Methyl 2-(2,6-dimethoxy-3,5-dinitrobenzamido)propanoate","Acta Crystallographica Section E","2012","68","8","o2386","","10.1107/S1600536812029935","","","0.71073","MoKα","","0.063","0.0454","","","0.1402","0.1532","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235767","8.0084","0.0014","8.7315","0.0019","11.7043","0.0008","76.253","0.013","79.794","0.01","84.337","0.017","781","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-Chloro-<i>N</i>-[(2-ethoxynaphthalen-1-yl)methylidene]aniline","","- C19 H16 Cl N O -","- C19 H16 Cl N O -","- C38 H32 Cl2 N2 O2 -","2","1","BX2419","Vesek, Hilal; Kazak, Canan; Alaman Ağar, Ayşen; Macit, Mustafa; Soylu, Mustafa Serkan","(<i>E</i>)-3-Chloro-<i>N</i>-[(2-ethoxynaphthalen-1-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","8","o2518","","10.1107/S1600536812032114","","","0.71073","MoKα","","0.0787","0.0579","","","0.1532","0.1801","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235768","9.395","0.0019","9.588","0.0019","10.252","0.002","68.9","0.03","67.74","0.03","78.16","0.03","794.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]‒ 1,2-bis(pyridin-4-yl)ethane‒water (1/1/2)","","- C24 H36 Mn2 N2 O20 -","- C24 H36 Mn2 N2 O20 -","- C24 H36 Mn2 N2 O20 -","1","0.5","BX2421","Hwang, In Hong; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","Bis(μ-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]‒1,2-bis(pyridin-4-yl)ethane‒water (1/1/2)","Acta Crystallographica Section E","2012","68","8","m1116","m1117","10.1107/S1600536812032771","","","0.71073","MoKα","","0.0351","0.0327","","","0.091","0.0924","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235769","7.7065","0.0006","14.0473","0.001","13.0852","0.001","90","","106.963","0.001","90","","1354.92","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Dihydroxyboryl)anilinium 6-carboxypyridine-2-carboxylate","","- C13 H13 B N2 O6 -","- C13 H13 B N2 O6 -","- C52 H52 B4 N8 O24 -","4","1","CV5313","Ge, Chunhua; Zhang, Xiangdong; Zhang, Rui; Zhang, Chenglong","3-(Dihydroxyboryl)anilinium 6-carboxypyridine-2-carboxylate","Acta Crystallographica Section E","2012","68","8","o2559","","10.1107/S1600536812031790","","","0.71073","MoKα","","0.045","0.0371","","","0.0969","0.1023","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235770","8.4062","0.0008","10.3279","0.001","15.2432","0.0019","90","","94.958","0.009","90","","1318.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Allyl-9<i>H</i>-carbazole-3,6-dicarbaldehyde","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","CV5316","Hu, Bin Bin; Zeng, Xiang Chao; Bian, Lei; He, Ru","9-Allyl-9<i>H</i>-carbazole-3,6-dicarbaldehyde","Acta Crystallographica Section E","2012","68","8","o2517","","10.1107/S160053681203190X","","","0.71073","MoKα","","0.0795","0.0453","","","0.0974","0.1178","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235771","10.798","0.003","10.365","0.003","11.341","0.003","90","","110.287","0.004","90","","1190.6","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7'-Amino-1'<i>H</i>-spiro[cycloheptane-1,2'-pyrimido[4,5-<i>d</i>]pyrimidin]- 4'(3'<i>H</i>)-one","","- C12 H17 N5 O -","- C12 H17 N5 O -","- C48 H68 N20 O4 -","4","1","CV5317","Chen, Shu; Shi, Daxin; Liu, Mingxing; Li, Jiarong","7'-Amino-1'<i>H</i>-spiro[cycloheptane-1,2'-pyrimido[4,5-<i>d</i>]pyrimidin]-4'(3'<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2546","","10.1107/S1600536812031492","","","0.71073","MoKα","","0.0585","0.0544","","","0.1263","0.1291","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235772","6.052","0.002","6.959","0.002","25.12","0.008","90","","90","","90","","1058","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Potassium [(1<i>S</i>)-1-azido-2-phenylethyl]trifluoridoborate","","- C8 H8 B F3 K N3 -","- C8 H8 B F3 K N3 -","- C32 H32 B4 F12 K4 N12 -","4","1","CV5318","Lejon, Tore; Gorovoy, Alexey S.; Khrustalev, Victor N.","Potassium [(1<i>S</i>)-1-azido-2-phenylethyl]trifluoridoborate","Acta Crystallographica Section E","2012","68","8","m1048","","10.1107/S1600536812030085","","","0.71073","MoKα","","0.1301","0.0504","","","0.0639","0.0813","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235773","14.079","0.01","8.369","0.006","19.244","0.013","90","","109.104","0.009","90","","2143","3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,6-Diisopropylphenoxy)-4-phenylphthalazine","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","CV5322","Tong, Bihai; Mei, Qunying","1-(2,6-Diisopropylphenoxy)-4-phenylphthalazine","Acta Crystallographica Section E","2012","68","8","o2578","","10.1107/S1600536812033296","","","0.71073","MoKα","","0.0907","0.0462","","","0.1273","0.1647","","","","","","0.902","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235774","5.1996","0.0015","7.499","0.002","13.119","0.004","100.206","0.005","98.014","0.005","106.534","0.005","472.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Melaminium hydrogen malonate","2,4,6-Triamino-1,3,5-triazin-1-ium 2-carboxyethanoate","","- C6 H10 N6 O4 -","- C6 H10 N6 O4 -","- C12 H20 N12 O8 -","2","1","CV5323","Froschauer, Barbara; Weil, Matthias","Melaminium hydrogen malonate","Acta Crystallographica Section E","2012","68","8","o2553","o2554","10.1107/S1600536812033016","","","0.71073","MoKα","","0.1023","0.0419","","","0.0895","0.1047","","","","","","0.89","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235775","7.1193","0.0007","8.165","0.0008","9.5595","0.0009","88.013","0.002","84.647","0.002","88.093","0.002","552.68","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Bis(melaminium) succinate succinic acid monosolvate dihydrate","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) succinate succinic acid monosolvate dihydrate","","- C14 H28 N12 O10 -","- C14 H28 N12 O10 -","- C14 H28 N12 O10 -","1","0.5","CV5324","Froschauer, Barbara; Weil, Matthias","Bis(melaminium) succinate succinic acid monosolvate dihydrate","Acta Crystallographica Section E","2012","68","8","o2555","","10.1107/S1600536812033387","","","0.71073","MoKα","","0.1","0.0473","","","0.1163","0.1416","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235776","6.0973","0.0005","12.3079","0.0011","20.1432","0.0016","90","","96.7","0.001","90","","1501.3","0.2","100","1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol- 1-yl]ethanone","","- C17 H14 Br F N2 O -","- C17 H14 Br F N2 O -","- C68 H56 Br4 F4 N8 O4 -","4","1","CV5325","Fun, Hoong-Kun; Loh, Wan-Sin; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","8","o2586","","10.1107/S1600536812033351","","","0.71073","MoKα","","0.0351","0.0257","","","0.0611","0.0643","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235777","8.2339","0.0016","9.1523","0.0018","10.736","0.002","85.6","0.03","81.2","0.03","74.13","0.03","768.5","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 7-chloro-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C15 H12 Cl F N2 O5 -","- C15 H12 Cl F N2 O5 -","- C30 H24 Cl2 F2 N4 O10 -","2","1","DS2180","Al-Qawasmeh, Raed A.","Ethyl 7-chloro-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","8","o2533","","10.1107/S1600536812011373","","","0.71073","MoKα","","0.099","0.0601","","","0.1523","0.1945","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235778","7.2715","0.0006","14.7757","0.0012","15.7609","0.0012","75.408","0.001","86.943","0.001","79.774","0.001","1612.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-1-(2-Chlorophenyl)-3-methyl-4-[2-(4-nitrophenyl)hydrazin-1- ylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C16 H12 Cl N5 O3 -","- C16 H12 Cl N5 O3 -","- C64 H48 Cl4 N20 O12 -","4","2","DS2200","Bustos, Carlos; Escobar-Fuentealba, Andrés; Alvarez-Thon, Luis; Faundez-Gutierrez, Rodrigo; Garland, Maria Teresa","(<i>Z</i>)-1-(2-Chlorophenyl)-3-methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2351","o2352","10.1107/S1600536812029790","","","0.71073","MoKα","","0.0573","0.0387","","","0.0911","0.097","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235779","7.9549","0.0005","22.753","0.0014","8.0966","0.0005","90","","118.787","0.001","90","","1284.36","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[2-(Methylsulfanyl)phenyl]-2-sulfanylbenzamide","","- C14 H13 N O S2 -","- C14 H13 N O S2 -","- C56 H52 N4 O4 S8 -","4","1","DS2201","Hsieh, Chang-Chih; Lee, Hon Man; Horng, Yih-Chern","<i>N</i>-[2-(Methylsulfanyl)phenyl]-2-sulfanylbenzamide","Acta Crystallographica Section E","2012","68","8","o2400","","10.1107/S1600536812029765","","","0.71073","MoKα","","0.0508","0.0382","","","0.1019","0.1078","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235780","10.6903","0.0011","14.5396","0.0008","19.2498","0.0012","90","","94.225","0.006","90","","2983.9","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Cinnamato-κ^2^<i>O</i>,<i>O</i>')(5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate","","- C25 H45 Cl N4 Ni O7 -","- C25 H45 Cl N4 Ni O7 -","- C100 H180 Cl4 N16 Ni4 O28 -","4","1","DS2203","Gao, Qiang; Cao, Yi-Cheng","(Cinnamato-κ^2^<i>O</i>,<i>O</i>')(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","8","m1100","","10.1107/S1600536812032175","","","1.54184","CuKα","","0.0423","0.0379","","","0.0946","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235781","11.0159","0.0003","12.6619","0.0003","10.2763","0.0002","90","","117.044","0.001","90","","1276.63","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1'<i>S</i>,6'<i>S</i>,8'<i>S</i>,9'<i>R</i>)-9'-Bromo-12'-oxaspiro[1,3- dioxolane-2,4'-tricyclo[6.3.1.0^1,6^]dodecane]","","- C13 H19 Br O3 -","- C13 H19 Br O3 -","- C52 H76 Br4 O12 -","4","1","DS2204","Mehta, Goverdhan; Khan, Tabrez Babu","(1'<i>S</i>,6'<i>S</i>,8'<i>S</i>,9'<i>R</i>)-9'-Bromo-12'-oxaspiro[1,3-dioxolane-2,4'-tricyclo[6.3.1.0^1,6^]dodecane]","Acta Crystallographica Section E","2012","68","8","o2411","o2412","10.1107/S1600536812029777","","","0.71073","MoKα","","0.0428","0.0296","","","0.0704","0.0762","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235782","6.4648","0.0001","16.4712","0.0003","14.6134","0.0004","90","","92.612","0.001","90","","1554.46","0.06","90","0.5","90","0.5","101.3","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(Adamantan-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","DS2206","Nguyen, Thy M.; Fronczek, Frank R.; Watkins, Steven F.","1-(Adamantan-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","8","o2537","","10.1107/S1600536812032400","","","0.71073","MoKα","","","0.0448","","","","0.1234","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235783","19.9302","0.0004","7.6627","0.0001","14.3253","0.0003","90","","90","","90","","2187.75","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Bis(tetraethylammonium) oxalate dihydrate","","- C18 H44 N2 O6 -","- C18 H44 N2 O6 -","- C72 H176 N8 O24 -","4","1","FB2256","McNeese, Timothy J.; Pike, Robert D.","Bis(tetraethylammonium) oxalate dihydrate","Acta Crystallographica Section E","2012","68","8","o2382","o2383","10.1107/S160053681203022X","","","1.54178","CuKα","","0.0327","0.0311","","","0.08","0.0811","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235784","34.398","0.014","5.812","0.002","21.619","0.009","90","","114.895","0.005","90","","3920","3","293","2","293","2","1","","","","","","","6","C 1 2/c 1","-C 2yc","15","iodiconazole","(2<i>RS</i>)-2-(2,4-Difluorophenyl)-1-[(4-iodobenzyl)(methyl)amino]- 3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol","","- C19 H19 F2 I N4 O -","- C19 H19 F2 I N4 O -","- C152 H152 F16 I8 N32 O8 -","8","1","FB2257","Xiong, Hui-Ping; Gao, Shou-Hong; Li, Chun-Tong; Wu, Zhi-Jun","(2<i>RS</i>)-2-(2,4-Difluorophenyl)-1-[(4-iodobenzyl)(methyl)amino]-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol","Acta Crystallographica Section E","2012","68","8","o2447","o2448","10.1107/S160053681203139X","","","0.71073","MoKα","","0.045","0.0394","","","0.0995","0.1029","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235785","17.728","0.009","10.213","0.002","14.801","0.007","90","","112.04","0.04","90","","2484","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate","","- H24 Li2 Na2 Ni O30 P6 -","- H24 Li2 Na2 Ni O30 P6 -","- H96 Li8 Na8 Ni4 O120 P24 -","4","0.5","FF2073","Abid, Sonia; Al-Deyab, Salem S.; Rzaigui, Mohamed","Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate, Li~2~Na~2~NiP~6~O~18~·12H~2~O","Acta Crystallographica Section E","2012","68","8","i62","i63","10.1107/S1600536812029960","","","0.56085","AgKα","","0.0825","0.0442","","","0.091","0.1021","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235786","6.9579","0.0002","10.9709","0.0004","11.4207","0.0004","110.51","0.002","105.886","0.002","91.656","0.002","777.77","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan","","- C19 H13 Br O3 S -","- C19 H13 Br O3 S -","- C38 H26 Br2 O6 S2 -","2","1","FF2074","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","1-(4-Bromophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2012","68","8","o2324","","10.1107/S160053681202939X","","","0.71073","MoKα","","0.0433","0.0323","","","0.079","0.0838","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235787","7.9739","0.0004","16.812","0.0009","12.1103","0.0006","90","","107.52","0.001","90","","1548.16","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>syn</i>-3-(4-Chlorobenzyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol","","- C16 H23 Cl N2 O -","- C16 H23 Cl N2 O -","- C64 H92 Cl4 N8 O4 -","4","1","FF2075","Kudryavtsev, Konstantin V.; Vatsadze, Sergey Z.; Semashko, Vera S.; Churakov, Andrei V.","<i>syn</i>-3-(4-Chlorobenzyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol","Acta Crystallographica Section E","2012","68","8","o2373","","10.1107/S1600536812030310","","","0.71073","MoKα","","0.0584","0.0422","","","0.099","0.1066","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235788","7.703","0.003","12.766","0.005","14.884","0.006","90","","93.028","0.006","90","","1461.6","1","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","10-(1,2,2-Trichlorovinyl)-10<i>H</i>-phenothiazine 5,5-dioxide","","- C14 H8 Cl3 N O2 S -","- C14 H8 Cl3 N O2 S -","- C56 H32 Cl12 N4 O8 S4 -","4","1","FF2076","Tabata, Hideyuki; Okuno, Tsunehisa","10-(1,2,2-Trichlorovinyl)-10<i>H</i>-phenothiazine 5,5-dioxide","Acta Crystallographica Section E","2012","68","8","o2519","","10.1107/S160053681203245X","","","0.71075","MoKα","","","0.04","","","","0.0966","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235789","5.864","0.0002","13.4454","0.0005","8.0118","0.0003","90","","92.258","0.002","90","","631.19","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>)-1-[(<i>E</i>)-(Thiophen-2-ylmethylidene)amino]indan-2-ol","","- C14 H13 N O S -","- C14 H13 N O S -","- C28 H26 N2 O2 S2 -","2","1","FF2077","Go, Min Jeong; Park, Ka Hyun; Lee, Hwi Hyun; Lee, Junseong","(1<i>S</i>,2<i>R</i>)-1-[(<i>E</i>)-(Thiophen-2-ylmethylidene)amino]indan-2-ol","Acta Crystallographica Section E","2012","68","8","o2568","","10.1107/S1600536812032783","","","0.71073","MoKα","","0.0481","0.0434","","","0.1242","0.1305","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235790","4.929","0.0005","6.4258","0.0006","12.2812","0.001","78.161","0.003","85.175","0.003","72.776","0.004","363.52","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-carboxy-1<i>H</i>-imidazole-4- carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)iron(II)","","- C10 H10 Fe N4 O10 -","- C10 H10 Fe N4 O10 -","- C10 H10 Fe N4 O10 -","1","0.5","FJ2571","Ohshima, Eriko; Yoshida, Kazuki; Sugiyama, Kazumasa; Uekusa, Hidehiro","Triclinic modification of diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)iron(II)","Acta Crystallographica Section E","2012","68","8","m1093","m1094","10.1107/S1600536812031753","","","0.71069","MoKα","","0.0819","0.0414","","","0.0685","0.0754","","","","","","0.916","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235791","10.7814","0.0007","11.8538","0.0008","11.4782","0.0008","90","","93.332","0.008","90","","1464.44","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-2-dimethylamino-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide","","- C14 H22 Br N3 -","- C14 H22 Br N3 -","- C56 H88 Br4 N12 -","4","1","FJ2572","Tiritiris, Ioannis; Kantlehner, Willi","1-Benzyl-2-dimethylamino-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide","Acta Crystallographica Section E","2012","68","8","o2308","","10.1107/S1600536812029224","","","0.71073","MoKα","","0.088","0.0351","","","0.077","0.0889","","","","","","0.806","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235792","7.3359","0.0001","7.3359","0.0001","54.7419","0.0013","90","","90","","90","","2945.96","0.09","180","2","180","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Methyl 2-(4a,8-Dimethyl-7-oxodecahydronaphthalen-2-yl)acrylate","","- C16 H24 O3 -","- C16 H24 O3 -","- C128 H192 O24 -","8","1","FJ2573","Tebbaa, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Barkaoui, Latifa; Berraho, Moha","Methyl 2-(4a,8-Dimethyl-7-oxodecahydronaphthalen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","8","o2391","","10.1107/S1600536812029303","","","1.54184","CuKα","","0.0433","0.0424","","","0.1068","0.1072","","","","","","1.222","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235793","5.8533","0.0003","7.3527","0.0003","8.863","0.0004","73.413","0.004","76.926","0.004","88.856","0.004","355.69","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(thiourea-κ<i>S</i>)cadmium]-di-μ-thiocyanato- κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] dihydrate]","","- C4 H12 Cd N6 O2 S4 -","- C4 H12 Cd N6 O2 S4 -","- C4 H12 Cd N6 O2 S4 -","1","0.5","FJ2575","Mietlarek-Kropidłowska, Anna; Chojnacki, Jaroslaw","<i>catena</i>-Poly[[[bis(thiourea-κ<i>S</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] dihydrate]","Acta Crystallographica Section E","2012","68","8","m1051","m1052","10.1107/S1600536812030267","","","0.71073","MoKα","","0.0362","0.0281","","","0.0584","0.0623","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235794","9.5758","0.0003","13.1009","0.0004","15.2124","0.0005","90","","100.718","0.001","90","","1875.13","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)- phenyl(pyridin-2-ylκ<i>N</i>)methylidene]benzohydrazidato- κ^2^<i>N</i>',<i>O</i>}copper(II))","","- C42 H34 Cu2 N6 O6 -","- C42 H34 Cu2 N6 O6 -","- C84 H68 Cu4 N12 O12 -","2","0.5","FJ2577","Vineetha, M. C.; Sithambaresan, M.; Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}copper(II))","Acta Crystallographica Section E","2012","68","8","m1086","m1087","10.1107/S1600536812031467","","","0.71073","MoKα","","0.0302","0.0265","","","0.0754","0.0792","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235795","6.2576","0.0006","10.0851","0.0009","10.2388","0.0009","93.85","0.006","98.76","0.006","102.468","0.005","620.2","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","L1","1,2-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]ethane","","- C32 H24 N6 O2 -","- C32 H24 N6 O2 -","- C32 H24 N6 O2 -","1","0.5","FJ2578","Nikolayenko, Varvara I.; Akerman, Matthew P.; Grimmer, Craig D.; Reddy, Desigan","1,2-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]ethane","Acta Crystallographica Section E","2012","68","8","o2384","o2385","10.1107/S1600536812030292","","","0.71073","MoKα","","0.0775","0.0616","","","0.1687","0.1816","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235796","4.8315","0.0004","17.5414","0.0014","25.828","0.002","90","","94.356","0.003","90","","2182.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-6-({2-[(3-ethoxy-2-hydroxybenzylidene)amino]benzyl}iminomethyl)phenol","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","1","FJ2580","Ambili, K. U.; Sreejith, S. S.; Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra","2-Ethoxy-6-({2-[(3-ethoxy-2-hydroxybenzylidene)amino]benzyl}iminomethyl)phenol","Acta Crystallographica Section E","2012","68","8","o2482","","10.1107/S1600536812031479","","","0.71073","MoKα","","0.0715","0.0379","","","0.0899","0.1116","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235797","14.3483","0.0006","4.8143","0.0002","9.6685","0.0004","90","","99.215","0.002","90","","659.25","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminonicotinamide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","FJ2584","Ntsala, Lerato P.; Lemmerer, Andreas","6-Aminonicotinamide","Acta Crystallographica Section E","2012","68","8","o2449","","10.1107/S1600536812031224","","","0.71073","MoKα","","","0.0395","","","","0.1133","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235798","16.8655","0.0002","21.0838","0.0005","7.0741","0.0005","90","","90.817","0.002","90","","2515.22","0.19","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","4","FK2064","Khalaji, Aliakbar Dehno; Nikookar, Mahsa; Fejfarová, Karla; Dušek, Michal","2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","8","o2445","o2446","10.1107/S1600536812031212","","","1.5418","CuKα","","0.0365","0.0329","","","0.0837","0.0867","","","","","","1.38","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235799","9.198","0.003","10.69","0.004","11.13","0.004","95.224","0.004","91.484","0.005","94.064","0.005","1086.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(Anthracen-9-yl)-10-methoxybenzo[<i>h</i>]quinoline acetone hemisolvate","","- C29.5 H22 N O1.5 -","- C29.5 H22 N O1.5 -","- C59 H44 N2 O3 -","2","1","FY2041","Dong, Zhenming; Liu, Bo; Cui, Xinxin; Liu, Yufang","2-(Anthracen-9-yl)-10-methoxybenzo[<i>h</i>]quinoline acetone hemisolvate","Acta Crystallographica Section E","2012","68","8","o2535","","10.1107/S1600536812031807","","","0.71073","MoKα","","0.0956","0.0686","","","0.1453","0.1595","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235800","7.8393","0.0002","9.7462","0.0002","10.9147","0.0002","90","","103.251","0.001","90","","811.72","0.03","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","2-Aminoterephthalic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C14 H21 N3 O6 -","- C14 H21 N3 O6 -","- C28 H42 N6 O12 -","2","1","FY2048","Loos, Stefan; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian","2-Aminoterephthalic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","8","o2501","","10.1107/S1600536812031431","","","0.71073","MoKα","","0.0333","0.0311","","","0.089","0.0915","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235801","6.822","0.0008","23.567","0.003","7.3746","0.0009","90","","93.545","0.001","90","","1183.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(6-Bromo-3,4-dihydro-2<i>H</i>-1,4-benzoxazin-4-yl)-2,2-dichloroethanone","","- C10 H8 Br Cl2 N O2 -","- C10 H8 Br Cl2 N O2 -","- C40 H32 Br4 Cl8 N4 O8 -","4","1","FY2057","Ye, Fei; Li, Ying; Fu, Ying; Zhao, Li-Xia; Gao, Shuang","1-(6-Bromo-3,4-dihydro-2<i>H</i>-1,4-benzoxazin-4-yl)-2,2-dichloroethanone","Acta Crystallographica Section E","2012","68","8","o2509","","10.1107/S1600536812032011","","","0.71073","MoKα","","0.051","0.0381","","","0.0949","0.1021","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235802","12.618","0.003","5.1871","0.001","9.874","0.002","90","","90","","90","","646.3","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1<i>H</i>-Tetrazol-1-yl)acetic acid monohydrate","","- C3 H6 N4 O3 -","- C3 H6 N4 O3 -","- C12 H24 N16 O12 -","4","1","FY2060","Wang, Wen-Xiang","2-(1<i>H</i>-Tetrazol-1-yl)acetic acid monohydrate","Acta Crystallographica Section E","2012","68","8","o2561","","10.1107/S1600536812033090","","","0.71073","MoKα","","0.0343","0.0297","","","0.067","0.0688","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235803","27.382","0.004","6.5083","0.0007","13.369","0.002","90","","90","","90","","2382.5","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4- triazole-5(4<i>H</i>)-thione","","- C25 H35 N5 S -","- C25 H35 N5 S -","- C100 H140 N20 S4 -","4","1","FY2061","El-Emam, Ali A.; Al-Abdullah, Ebtehal S.; Al-Tuwaijri, Hanaa M.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","8","o2380","o2381","10.1107/S160053681202990X","","","1.54184","CuKα","","0.1009","0.0565","","","0.1048","0.1279","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235804","15.4388","0.0011","5.5781","0.0003","26.338","0.002","90","","102.94","0.006","90","","2210.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetralone thiosemicarbazone","2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C88 H104 N24 S8 -","8","1","FY2063","de Oliveira, Adriano Bof; Silva, Cecília Santos; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","8","o2581","","10.1107/S1600536812033302","","","0.71073","MoKα","","0.054","0.045","","","0.1206","0.1258","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235805","15.234","0.004","16.859","0.004","9.699","0.003","90","","112.991","0.005","90","","2293.1","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxyate) monohydrate","","- C18 H30 N6 O9 -","- C18 H30 N6 O9 -","- C72 H120 N24 O36 -","4","0.5","GG2081","Ying, Yi-Mei; Zhang, Tong; Yang, Guang-Rui; Ma, Ning","Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxyate) monohydrate","Acta Crystallographica Section E","2012","68","8","o2327","","10.1107/S1600536812029406","","","0.71073","MoKα","","0.0778","0.0597","","","0.1678","0.1824","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235806","7.3483","0.0005","19.698","0.002","33.44","0.003","90","","90","","90","","4840.3","0.7","136","2","136","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diosgenin hemihydrate","(25<i>R</i>)-Spirost-5-en-3-ol hemihydrate","","- C27 H43 O3.5 -","- C27 H43 O3.5 -","- C216 H344 O28 -","8","2","GG2085","Hernández Linares, María-Guadalupe; Bernès, Sylvain; Flores-Alamo, Marcos; Guerrero-Luna, Gabriel; Martínez-Gallegos, Anselmo A.","Diosgenin hemihydrate","Acta Crystallographica Section E","2012","68","8","o2357","","10.1107/S1600536812027912","","","1.5418","CuKα","","0.0993","0.0722","","","0.1588","0.1771","","","","","","1.13","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235807","10.3396","0.0006","7.6466","0.0004","29.9511","0.0017","90","","97.207","0.005","90","","2349.3","0.2","136","2","136","2","","","","","","","","3","P 1 21 1","P 2yb","4","Diosgenone","(20<i>S</i>,22<i>R</i>,25<i>R</i>)-Spirost-4-en-3-one","","- C27 H40 O3 -","- C27 H40 O3 -","- C108 H160 O12 -","4","2","GG2086","Hernández Linares, María-Guadalupe; Guerrero-Luna, Gabriel; Bernès, Sylvain; Flores-Alamo, Marcos; Fernández-Herrera, María A.","Diosgenone: a second <i>P</i>2~1~ polymorph","Acta Crystallographica Section E","2012","68","8","o2358","","10.1107/S160053681202908X","","","0.71073","MoKα","","0.0818","0.0519","","","0.0877","0.0985","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235808","11.0484","0.0003","11.2282","0.0003","14.8425","0.0004","89.205","0.001","87.678","0.001","76.997","0.001","1792.56","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Uyi C24","Bis(4-benzoyl-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-olato- κ^2^<i>O</i>,<i>O</i>')bis(ethanol-κ<i>O</i>)cobalt(II)","","- C38 H38 Co N4 O6 -","- C38 H38 Co N4 O6 -","- C76 H76 Co2 N8 O12 -","2","1","GG2088","Idemudia, Omoruyi G.; Hosten, Eric C.","Bis(4-benzoyl-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-olato-κ^2^<i>O</i>,<i>O</i>')bis(ethanol-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","8","m1107","m1108","10.1107/S1600536812032837","","","0.71073","MoKα","","0.0437","0.0344","","","0.0867","0.095","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235809","16.4677","0.0009","6.4239","0.0004","17.4295","0.0008","90","","117.035","0.005","90","","1642.34","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aluminium methanesulfonate hexahydrate","Hexaaquaaluminium(III) tris(methanesulfonate)","","- C3 H21 Al O15 S3 -","- C3 H21 Al O15 S3 -","- C12 H84 Al4 O60 S12 -","4","1","GG2089","Trella, Thomas; Frank, Walter","Hexaaquaaluminium(III) tris(methanesulfonate)","Acta Crystallographica Section E","2012","68","8","m1136","m1137","10.1107/S1600536812033235","","","0.71073","MoKα","","0.0448","0.031","","","0.0704","0.0726","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235810","4.6607","0.0004","8.4769","0.0009","9.811","0.0009","94.859","0.003","91.41","0.002","97.278","0.002","382.87","0.06","223","","223","","","","","","","","","3","P -1","-P 1","2","","2,3,6,7-Tetramethoxy-9,10-anthraquinone","","- C18 H16 O6 -","- C18 H16 O6 -","- C18 H16 O6 -","1","0.5","GG2091","Ohta, Akira; Hattori, Kazuki; Kawase, Takeshi; Kobayashi, Takashi; Naito, Hiroyoshi; Kitamura, Chitoshi","2,3,6,7-Tetramethoxy-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","8","o2587","","10.1107/S1600536812033119","","","0.71073","MoKα","","0.1068","0.0544","","","0.1513","0.2335","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235811","8.3817","0.0001","9.9238","0.0002","22.809","0.0004","90","","90","","90","","1897.21","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>,<i>E</i>)-3-(4-Chlorophenyl)-1-phenylallyl 4-nitrobenzoate","","- C22 H16 Cl N O4 -","- C22 H16 Cl N O4 -","- C88 H64 Cl4 N4 O16 -","4","1","GG2092","Troshin, Konstantin; Mayer, Peter; Mayr, Herbert","(<i>R</i>,<i>E</i>)-3-(4-Chlorophenyl)-1-phenylallyl 4-nitrobenzoate","Acta Crystallographica Section E","2012","68","8","o2549","","10.1107/S1600536812032813","","","0.71073","MoKα","","0.0404","0.0333","","","0.079","0.0829","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235812","17.058","0.004","19.574","0.005","19.927","0.005","90","","97.289","0.004","90","","6600","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(1,10-phenanthroline)- 1κ^4^<i>N</i>,<i>N</i>';3κ^4^<i>N</i>,<i>N</i>'-bis(μ-pyridine-2,6- dicarboxylato)-1:2κ^5^<i>O</i>^2^,<i>O</i>^2'^: <i>O</i>^2^,<i>N</i>,<i>O</i>^6^;2:3κ^5^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^: <i>O</i>^6^,<i>O</i>^6-^-(pyridine-2,6-dicarboxylato)- 2κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-1,3-dicopper(II)-2-terbium(III) nitrate tetrahydrate","","- C69 H49 Cu2 N12 O19 Tb -","- C69 H49 Cu2 N12 O19 Tb -","- C276 H196 Cu8 N48 O76 Tb4 -","4","0.5","GK2483","Zhang, Wei","Tetrakis(1,10-phenanthroline)bis(μ-pyridine-2,6-dicarboxylato)(pyridine-2,6-dicarboxylato)dicopper(II)terbium(III) nitrate tetrahydrate","Acta Crystallographica Section E","2012","68","8","m1084","m1085","10.1107/S1600536812031686","","","0.71073","MoKα","","0.0583","0.0411","","","0.1195","0.1337","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235813","12.0111","0.0004","7.7759","0.0003","18.9777","0.0007","90","","103.569","0.001","90","","1722.99","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[3,3'-(piperazine-1,4-diyl)dipropanaminium] di-μ~2~-sulfido-bis[disulfidogermanate(IV)]","","- C20 H52 Ge2 N8 S6 -","- C20 H52 Ge2 N8 S6 -","- C40 H104 Ge4 N16 S12 -","2","0.5","GK2485","Wang, Nian-Nian; Xu, Chao; Duan, Taike; Chen, Qun; Zhang, Qian-Feng","Bis[3,3'-(piperazine-1,4-diyl)dipropanaminium] di-μ~2~-sulfido-bis[disulfidogermanate(IV)]","Acta Crystallographica Section E","2012","68","8","m1046","","10.1107/S1600536812030334","","","0.71073","MoKα","","0.0506","0.0393","","","0.1064","0.113","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235814","18.9013","0.0004","18.9013","0.0004","9.9174","0.0004","90","","90","","90","","3543.08","0.18","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Diaqua[μ-11,23-di-<i>tert</i>-butyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,6,9,11,13(26),14,19,21,23-dodecaene-25,26-diolato-κ^4^<i>N</i>^3^<i>,N</i>^7^,<i>O</i>^25^,<i>O</i>^26^:κ^4^<i>N</i>^15^,<i>N</i>^19^,<i>O</i>^25^,<i>O</i>^26^]dicopper(II) bis(perchlorate)","","- C30 H42 Cl2 Cu2 N4 O12 -","- C30 H42 Cl2 Cu2 N4 O12 -","- C120 H168 Cl8 Cu8 N16 O48 -","4","0.5","GK2504","Xu, Qiang; Wang, Zhaodong; He, Jiahong; Song, Zhongrong; Chen, Fengming; Meng, Jiangping; Hu, Chengbo","Diaqua[μ-11,23-di-<i>tert</i>-butyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,6,9,11,13(26),14,19,21,23-dodecaene-25,26-diolato-κ^4^<i>N</i>^3^,<i>N</i>^7^,<i>O</i>^25^,<i>O</i>^26^:κ^4^<i>N</i>^15^,<i>N</i>^19^,<i>O</i>^25^,<i>O</i>^26^]dicopper(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","8","m1060","m1061","10.1107/S1600536812031248","","","0.71073","MoKα","","0.0515","0.0385","","","0.1019","0.115","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2235815","6.9341","0.0003","11.444","0.0004","15.4719","0.0005","89.611","0.003","84.738","0.003","74.981","0.003","1180.63","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3- [4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C29 H22 F2 O2 S -","- C29 H22 F2 O2 S -","- C58 H44 F4 O4 S2 -","2","1","GK2507","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Samshuddin, S.; Narayana, B.","(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","8","o2378","","10.1107/S1600536812030139","","","0.71073","MoKα","","0.0895","0.0522","","","0.119","0.1422","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235816","7.8993","0.0003","8.572","0.0003","12.608","0.0005","88.013","0.003","82.27","0.003","65.717","0.004","770.92","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[(<i>E</i>)-Methoxyimino]-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","GK2509","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","2-[(<i>E</i>)-Methoxyimino]-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid","Acta Crystallographica Section E","2012","68","8","o2425","","10.1107/S1600536812030711","","","0.71073","MoKα","","0.0481","0.037","","","0.095","0.1032","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235817","12.901","0.003","14.013","0.003","5.8572","0.0012","90","","97.33","0.02","90","","1050.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","1,2,3,4,5,6-Hexa-<i>O</i>-acetyl-<i>scyllo</i>-inositol","","- C18 H24 O12 -","- C18 H24 O12 -","- C36 H48 O24 -","2","0.25","GK2511","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Chib, Renu; Shah, Bhahwal A.; Taneja, Subhash C.","1,2,3,4,5,6-Hexa-<i>O</i>-acetyl-<i>scyllo</i>-inositol","Acta Crystallographica Section E","2012","68","8","o2594","","10.1107/S1600536812033600","","","0.71073","MoKα","","0.1248","0.0611","","","0.174","0.1982","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235818","3.8779","0.0002","18.8518","0.0011","8.2015","0.0004","90","","100.78","0.002","90","","588.99","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Amino-3-methyl-1,2-oxazole-4-carbonitrile","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","GK2513","Shoghpour, Samad; Keykha, Amir; Amiri Rudbari, Hadi; Rahimizadeh, Mohammad; Bakavoli, Mehdi; Pourayoubi, Mehrdad; Nicolò, Francesco","5-Amino-3-methyl-1,2-oxazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2530","","10.1107/S1600536812032667","","","0.71073","MoKα","","0.043","0.0353","","","0.0992","0.1073","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235819","10.0321","0.0003","17.4842","0.0006","13.9095","0.0004","90","","91.699","0.003","90","","2438.7","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}- 4-methoxyphenyl)-4-methylbenzenesulfonamide","","- C22 H23 Br N4 O4 S2 -","- C22 H23 Br N4 O4 S2 -","- C88 H92 Br4 N16 O16 S8 -","4","1","GK2516","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Kumar, Mohan; Mallesha, L.; Sridhar, M. A.","<i>N</i>-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2590","o2591","10.1107/S1600536812033375","","","0.71073","MoKα","","0.0706","0.0408","","","0.0747","0.0862","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235820","9.7813","0.0002","13.5885","0.0003","14.2698","0.0003","90","","90","","90","","1896.64","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16α,17α-Epoxy-17β-(1<i>H</i>-imidazol-1-yl)androst-4-en-3-one monohydrate","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C88 H120 N8 O12 -","4","1","GO2059","Anitha, A. G.; Hema, R.; Bansal, Ranju; Thota, Sridhar; Rizwana Begum, S.","16α,17α-Epoxy-17β-(1<i>H</i>-imidazol-1-yl)androst-4-en-3-one monohydrate","Acta Crystallographica Section E","2012","68","8","o2345","","10.1107/S1600536812029479","","","0.71073","MoKα","","0.0413","0.0328","","","0.0782","0.0825","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235821","9.9007","0.0005","13.289","0.0007","13.0686","0.0008","90","","91.314","0.002","90","","1718.99","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Amino-4-(3,3-dimethyl-2-oxobutylidene)-1-[2-(2- hydroxyethoxy)ethyl]-6-methyl-1,4-dihydropyridine-3-carbonitrile","","- C17 H25 N3 O3 -","- C17 H25 N3 O3 -","- C68 H100 N12 O12 -","4","1","GO2062","Kim, Hyung Jin; Kim, Young Hyun; Otgonbaatar, Enkhzul; Kwak, Chee-Hun","(<i>E</i>)-2-Amino-4-(3,3-dimethyl-2-oxobutylidene)-1-[2-(2-hydroxyethoxy)ethyl]-6-methyl-1,4-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2572","","10.1107/S160053681203334X","","","0.71073","MoKα","","0.0608","0.0491","","","0.1276","0.1363","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235822","10.0534","0.0009","13.0076","0.0012","23.808","0.002","90","","102.076","0.001","90","","3044.5","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-4-<i>tert</i>-Butyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)- 1,3-thiazole","","- C16 H20 N2 S -","- C16 H20 N2 S -","- C128 H160 N16 S8 -","8","4","GW2121","Pawar, Sunayna; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(<i>S</i>)-4-<i>tert</i>-Butyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","Acta Crystallographica Section E","2012","68","8","o2487","","10.1107/S160053681203173X","","","0.71073","MoKα","","0.11","0.0918","","","0.2818","0.2993","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235823","5.9398","0.0006","7.4137","0.0007","15.897","0.002","77.846","0.009","81.613","0.007","68.185","0.009","633.57","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-[<i>N</i>-(5-bromopyrimidin-2-yl)carbamoyl]benzoate","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C26 H20 Br2 N6 O6 -","2","1","GW2122","Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Chen, Jhy-Der","Methyl 4-[<i>N</i>-(5-bromopyrimidin-2-yl)carbamoyl]benzoate","Acta Crystallographica Section E","2012","68","8","o2497","","10.1107/S1600536812032102","","","0.71073","MoKα","","0.0459","0.0336","","","0.0709","0.0758","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235824","12.8905","0.0002","12.982","0.0003","34.6469","0.001","90","","90","","90","","5798","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","40-Deoxy-40(<i>S</i>)-iodorapamycin","40-Deoxy-40(<i>S</i>)-iodorapamycin","","- C51 H78 I N O12 -","- C51 H78 I N O12 -","- C204 H312 I4 N4 O48 -","4","1","HB6726","Xie, Lijun; Zuo, Jian; Yang, Guoxin; Zheng, Congshen; Cheng, Yuanrong","40-Deoxy-40(<i>S</i>)-iodorapamycin","Acta Crystallographica Section E","2012","68","8","o2331","","10.1107/S1600536812027547","","","1.54178","CuKα","","0.0613","0.0486","","","0.1241","0.1356","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235825","14.5775","0.0016","14.5775","0.0016","6.3506","0.0016","90","","90","","120","","1168.7","0.3","120","2","120","2","","","","","","","","5","P -3","-P 3","147","","Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]","","- C43.3 H36 N9.9 O26.1 Zn2.35 -","- C43.3 H36 N9.9 O26.1 Zn2.35 -","- C43.3 H36 N9.9 O26.1 Zn2.35 -","1","0.166667","HB6768","Tabatabaee, Masoumeh; Derikvand, Zohreh; Attar Gharamaleki, Jafar","Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]","Acta Crystallographica Section E","2012","68","8","m1035","","10.1107/S160053681202987X","","","0.71073","MoKα","","0.0649","0.0447","","","0.0997","0.1055","","","","","","1","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235826","9.417","0.004","9.33","0.004","14.449","0.006","90","","100.127","0.005","90","","1249.7","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>E</i>,6<i>E</i>)-2,6-Bis(ferrocenylmethylidene)cyclohexanone dichloromethane monosolvate","","- C29 H28 Cl2 Fe2 O -","- C29 H28 Cl2 Fe2 O -","- C58 H56 Cl4 Fe4 O2 -","2","1","HB6805","Long, Shi-Jia; Yang, Wu; Liu, Yong-Hong","(2<i>E</i>,6<i>E</i>)-2,6-Bis(ferrocenylmethylidene)cyclohexanone dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","8","m1064","","10.1107/S1600536812030899","","","0.71073","MoKα","","0.0856","0.0516","","","0.1098","0.1274","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235827","11.2965","0.0004","15.3594","0.0005","20.6641","0.0007","90","","90","","90","","3585.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>]decacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triosmium(0)","","- C35 H22 As2 O10 Os3 -","- C35 H22 As2 O10 Os3 -","- C140 H88 As8 O40 Os12 -","4","1","HB6822","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>]decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triosmium(0)","Acta Crystallographica Section E","2012","68","8","m1119","m1120","10.1107/S1600536812024208","","","0.71073","MoKα","","0.0193","0.0177","","","0.0397","0.0401","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235828","24.367","0.005","24.407","0.003","4.7786","0.0005","90","","90","","90","","2842","0.7","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","ortho-vanillin","2-Hydroxy-3-methoxybenzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","1","HB6851","Shin, David; Müller, Peter","2-Hydroxy-3-methoxybenzaldehyde (<i>o</i>-vanillin) revisited","Acta Crystallographica Section E","2012","68","8","o2336","o2337","10.1107/S1600536812029571","","","0.71073","MoKα","","0.0362","0.0343","","","0.0931","0.0954","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235829","11.5768","0.0006","7.3222","0.0005","29.2849","0.0015","90","","90","","90","","2482.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Methoxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","HB6857","Tahir, M. Nawaz; Sirajuddin, Muhammad; Ali, Saqib; Munawar, Khurram Shahzad","2-(2-Methoxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","8","o2589","","10.1107/S1600536812027262","","","0.71073","MoKα","","0.0577","0.0411","","","0.0996","0.1118","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235830","13.5714","0.001","8.4621","0.0006","11.4547","0.0009","90","","93.83","0.002","90","","1312.55","0.17","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>N</i>'-(2,4-Dinitrophenyl)benzohydrazide","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","HB6871","Saeed, Aamer; Arshad, Ifzan; Flörke, Ulrich","<i>N</i>'-(2,4-Dinitrophenyl)benzohydrazide","Acta Crystallographica Section E","2012","68","8","o2418","","10.1107/S1600536812030619","","","0.71073","MoKα","","0.0313","0.0297","","","0.0815","0.083","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235831","7.1242","0.0003","9.5605","0.0005","14.2593","0.0009","76.083","0.005","75.577","0.004","74.821","0.004","891.68","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Oxido[2-{(<i>E</i>)-[((1<i>E</i>)-{(<i>E</i>)-2-[1-(2- oxidophenyl)ethylidene]hydrazin-1-ylidene}(prop-2-en-1- ylsulfanyl)methyl)imino]methyl}phenolato]vanadium(IV)","","- C19 H17 N3 O3 S V -","- C19 H17 N3 O3 S V -","- C38 H34 N6 O6 S2 V2 -","2","1","HB6874","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","Oxido[2-{(<i>E</i>)-[((1<i>E</i>)-{(<i>E</i>)-2-[1-(2-oxidophenyl)ethylidene]hydrazin-1-ylidene}(prop-2-en-1-ylsulfanyl)methyl)imino]methyl}phenolato]vanadium(IV)","Acta Crystallographica Section E","2012","68","8","m1033","m1034","10.1107/S1600536812029819","","","0.71073","MoKα","","0.0859","0.0756","","","0.1851","0.1906","","","","","","1.203","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235832","11.1959","0.001","7.5902","0.0006","18.3886","0.0012","90","","100.453","0.008","90","","1536.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3- carbonitrile","","- C17 H17 Br N2 O -","- C17 H17 Br N2 O -","- C68 H68 Br4 N8 O4 -","4","1","HB6875","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2376","o2377","10.1107/S1600536812029820","","","0.71073","MoKα","","0.103","0.0625","","","0.1479","0.1729","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235833","7.615","0.0004","14.6248","0.0007","15.2915","0.0008","94.706","0.001","101.627","0.001","90.572","0.001","1661.8","0.15","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","1-[(3-Benzyloxy-2-nitrophenoxy)methyl]benzene","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","2","HB6876","Fun, Hoong-Kun; Arshad, Suhana; Ubaradka, S. R.; Shetty, Prakash; Isloor, Arun M.","1-[(3-Benzyloxy-2-nitrophenoxy)methyl]benzene","Acta Crystallographica Section E","2012","68","8","o2317","o2318","10.1107/S1600536812029194","","","0.71073","MoKα","","0.0595","0.0415","","","0.1051","0.1165","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235834","11.2728","0.0008","12.2354","0.0005","13.1002","0.0009","90","","110.946","0.003","90","","1687.47","0.18","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-1<i>H</i>-benzotriazole 3-oxide‒1-hydroxy-1<i>H</i>-benzotriazole (1/1)","","- C19 H16 N6 O2 -","- C19 H16 N6 O2 -","- C76 H64 N24 O8 -","4","1","HB6878","Selvarathy Grace, P.; Jebas, Samuel Robinson; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyl-1<i>H</i>-benzotriazole 3-oxide‒1-hydroxy-1<i>H</i>-benzotriazole (1/1)","Acta Crystallographica Section E","2012","68","8","o2399","","10.1107/S1600536812030061","","","1.54178","CuKα","","0.0508","0.0478","","","0.1296","0.1322","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235835","7.6092","0.0002","12.7854","0.0003","11.9938","0.0003","90","","90.556","0.002","90","","1166.78","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Nitrophenyl)-1,3-benzothiazole","","- C13 H8 N2 O2 S -","- C13 H8 N2 O2 S -","- C52 H32 N8 O8 S4 -","4","1","HB6879","Vijayakumar, S.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","2-(2-Nitrophenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","8","o2362","","10.1107/S1600536812029844","","","0.71073","MoKα","","0.0519","0.0388","","","0.1045","0.1129","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235836","15.7611","0.0009","18.0089","0.0011","11.6451","0.0007","90","","90","","90","","3305.3","0.3","100","1","100","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","10a-Hydroxy-9-(4-methoxyphenyl)-3,4,5,6,7,8a,9,10a-octahydro- 1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C20 H22 O5 -","- C20 H22 O5 -","- C160 H176 O40 -","8","1","HB6880","Fun, Hoong-Kun; Ooi, Chin Wei; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","10a-Hydroxy-9-(4-methoxyphenyl)-3,4,5,6,7,8a,9,10a-octahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","8","o2367","o2368","10.1107/S160053681203005X","","","0.71073","MoKα","","0.0459","0.037","","","0.1012","0.1083","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235837","22.5107","0.0005","9.7642","0.0002","19.5594","0.0003","90","","116.679","0.001","90","","3841.43","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-(Adamantan-1-yl)-3-[(2-methoxyethyl)sulfanyl]-4-phenyl-4<i>H</i>-1,2,4-triazole","","- C21 H27 N3 O S -","- C21 H27 N3 O S -","- C168 H216 N24 O8 S8 -","8","1","HB6881","El-Emam, Ali A.; Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; Chantrapromma, Suchada; Fun, Hoong-Kun","5-(Adamantan-1-yl)-3-[(2-methoxyethyl)sulfanyl]-4-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2012","68","8","o2326","","10.1107/S1600536812029510","","","1.54178","CuKα","","0.0497","0.0451","","","0.1252","0.1297","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235838","8.6037","0.0001","9.3146","0.0002","11.459","0.0002","92.463","0.001","91.544","0.001","92.969","0.001","915.85","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4-{[7-(Trifluoromethyl)quinolin-4-yl]amino}benzenesulfonamide‒ethanol‒ methanol (1/0.47/0.53)","","- C17.47 H16.94 F3 N3 O3 S -","- C17.47 H16.94 F3 N3 O3 S -","- C34.94 H33.88 F6 N6 O6 S2 -","2","1","HB6882","Ghorab, Mostafa M.; Al-Said, Mansour S.; Al-Mishari, Abdullah A.; Quah, Ching Kheng; Fun, Hoong-Kun","4-{[7-(Trifluoromethyl)quinolin-4-yl]amino}benzenesulfonamide‒ethanol‒methanol (1/0.47/0.53)","Acta Crystallographica Section E","2012","68","8","o2396","","10.1107/S1600536812029698","","","1.54178","CuKα","","0.047","0.0448","","","0.1272","0.1293","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235839","10.967","0.005","20.301","0.005","11.072","0.005","90","0.005","119.268","0.005","90","0.005","2150.4","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Triethylammonium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate","Triethylammonium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)- 1,2,3,6-tetrahydropyrimidin-4-olate","","- C18 H24 N6 O9 -","- C18 H24 N6 O9 -","- C72 H96 N24 O36 -","4","1","HB6883","Rajamani, Kulandaiya; Kalaivani, Doraisamyraja","Triethylammonium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate","Acta Crystallographica Section E","2012","68","8","o2395","","10.1107/S1600536812030450","","","0.71073","MoKα","","0.0507","0.0364","","","0.0957","0.108","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235840","5.2305","0.0003","17.6073","0.0011","15.6578","0.001","90","","103.782","0.002","90","","1400.49","0.15","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone oxime","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","HB6884","Fun, Hoong-Kun; Chia, Tze Shyang; Al-Rashood, Khalid A.; Abdel-Aziz, Hatem A.","(<i>Z</i>)-1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone oxime","Acta Crystallographica Section E","2012","68","8","o2369","","10.1107/S1600536812030346","","","0.71073","MoKα","","0.0488","0.0368","","","0.0954","0.1046","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235841","4.5428","0.0008","20.096","0.004","17.788","0.003","90","","93.003","0.004","90","","1621.7","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Methoxyphenyl)benzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol-9-ium hydrogen sulfate","","- C16 H14 N2 O5 S2 -","- C16 H14 N2 O5 S2 -","- C64 H56 N8 O20 S8 -","4","1","HB6885","Fun, Hoong-Kun; Chia, Tze Shyang; Alafeefy, Ahmed M.; Abdel-Aziz, Hatem A.","3-(3-Methoxyphenyl)benzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol-9-ium hydrogen sulfate","Acta Crystallographica Section E","2012","68","8","o2407","o2408","10.1107/S1600536812030541","","","0.71073","MoKα","","0.0764","0.0579","","","0.152","0.1697","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235842","4.5447","0.0016","11.285","0.004","15.551","0.006","90","","96.455","0.005","90","","792.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyano-1-methylpyridinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C28 H28 Br4 N8 -","4","1","HB6887","Kammer, Michael N.; Mague, Joel T.; Koplitz, Lynn V.","4-Cyano-1-methylpyridinium bromide","Acta Crystallographica Section E","2012","68","8","o2409","","10.1107/S1600536812030449","","","0.71073","MoKα","","0.0298","0.0269","","","0.0704","0.0725","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235843","8.9183","0.0007","11.3348","0.0009","15.5534","0.0012","85.471","0.001","75.804","0.001","75.007","0.001","1472.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-dicopper(II)]- μ-[<i>N</i>-(pyridin-4-yl)nicotinamide]-κ^2^<i>N</i>:<i>N</i>'- [dibenzoato-κ^2^<i>O</i>-copper(II)]-μ-[<i>N</i>- (pyridin-4-yl)nicotinamide]-κ^2^<i>N</i>:<i>N</i>']","","- C64 H48 Cu3 N6 O14 -","- C64 H48 Cu3 N6 O14 -","- C64 H48 Cu3 N6 O14 -","1","0.5","HB6888","Kraft, Peter E.; LaDuca, Robert L.","<i>catena</i>-Poly[[tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-dicopper(II)]-μ-[<i>N</i>-(pyridin-4-yl)nicotinamide]-κ^2^<i>N</i>:<i>N</i>'-[dibenzoato-κ^2^<i>O</i>-copper(II)]-μ-[<i>N</i>-(pyridin-4-yl)nicotinamide]-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2012","68","8","m1049","m1050","10.1107/S1600536812030437","","","0.71073","MoKα","","0.0556","0.0351","","","0.0729","0.0811","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235844","16.421","0.002","4.6397","0.0007","20.1144","0.0018","90","","123.15","0.007","90","","1283.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(1,3-Thiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","HB6891","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(1,3-Thiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide","Acta Crystallographica Section E","2012","68","8","o2461","","10.1107/S1600536812031595","","","0.71073","MoKα","","0.0562","0.04","","","0.0933","0.1031","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235845","5.5308","0.0008","8.5316","0.0012","9.4249","0.0014","103.5","0.003","90.878","0.003","97.232","0.004","428.54","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-(3-Bromophenyl)thiourea","","- C7 H7 Br N2 S -","- C7 H7 Br N2 S -","- C14 H14 Br2 N4 S2 -","2","1","HB6892","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","1-(3-Bromophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2462","","10.1107/S1600536812031601","","","0.71073","MoKα","","0.0274","0.024","","","0.0645","0.0667","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235846","19.163","0.006","5.0458","0.0011","17.252","0.004","90","","116.365","0.005","90","","1494.6","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","HB6893","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(4-Chlorophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2012","68","8","o2463","","10.1107/S1600536812031613","","","0.71073","MoKα","","0.1389","0.0604","","","0.152","0.2076","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235847","5.2668","0.0001","13.0861","0.0002","18.5373","0.0003","90","","105.64","0.001","90","","1230.32","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Naphthalen-1-yl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","HB6894","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(Naphthalen-1-yl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2012","68","8","o2464","","10.1107/S1600536812031583","","","0.71073","MoKα","","0.0611","0.0467","","","0.1003","0.1075","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235848","14.2766","0.0006","7.0676","0.0002","13.8598","0.0006","90","","118.736","0.002","90","","1226.24","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,4,6-Trimethylphenyl)-1,3-thiazol-2-amine","","- C12 H14 N2 S -","- C12 H14 N2 S -","- C48 H56 N8 S4 -","4","1","HB6896","Babar, Ayesha; Munawar, Munawar Ali; Tahir, M. Nawaz; Khan, Ather Farooq; Tariq, Muhammad Ilyas","<i>N</i>-(2,4,6-Trimethylphenyl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2012","68","8","o2441","","10.1107/S1600536812031315","","","0.71073","MoKα","","0.0488","0.0387","","","0.107","0.1164","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235849","6.7094","0.0002","9.4134","0.0003","49.162","0.0016","90","","90","","90","","3104.99","0.17","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(1<i>H</i>-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","HB6897","Alliouche, Hayette; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","3-(1<i>H</i>-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline","Acta Crystallographica Section E","2012","68","8","o2492","","10.1107/S1600536812032357","","","0.71073","MoKα","","0.0606","0.0457","","","0.1044","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235850","14.0922","0.0014","15.9682","0.0015","8.1338","0.0008","90","","105.344","0.002","90","","1765.1","0.3","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(2,3-Dimethylanilino)-<i>N</i>'-(thiophen-2- ylmethylidene)benzohydrazide","","- C20 H19 N3 O S -","- C20 H19 N3 O S -","- C80 H76 N12 O4 S4 -","4","1","HB6898","Fun, Hoong-Kun; Chia, Tze Shyang; Bhat, Mashooq A.; Al-Omar, Mohamed A.; Abdel-Aziz, Hatem A.","(<i>E</i>)-2-(2,3-Dimethylanilino)-<i>N</i>'-(thiophen-2-ylmethylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","8","o2524","o2525","10.1107/S160053681203259X","","","0.71073","MoKα","","0.0911","0.051","","","0.1101","0.128","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235851","6.9469","0.0002","7.6722","0.0003","20.9874","0.0007","91.519","0.001","97.577","0.001","107.791","0.001","1053.15","0.06","100","1","100","","","","","","","","","6","P -1","-P 1","2","","2-Anilino-4-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzoyl)thiophene-3-carbonitrile","","- C25 H14 Cl N3 O S2 -","- C25 H14 Cl N3 O S2 -","- C50 H28 Cl2 N6 O2 S4 -","2","1","HB6899","Fun, Hoong-Kun; Chia, Tze Shyang; Abdel-Aziz, Hatem A.","2-Anilino-4-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzoyl)thiophene-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2529","","10.1107/S1600536812032588","","","0.71073","MoKα","","0.0342","0.0292","","","0.0794","0.0832","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235852","6.9092","0.0008","6.9609","0.0007","14.9458","0.0015","81.562","0.002","81.328","0.002","66.269","0.002","647.56","0.12","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","2-(2,3-Dimethylanilino)benzohydrazide","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C30 H34 N6 O2 -","2","1","HB6900","Fun, Hoong-Kun; Chia, Tze Shyang; Elsaman, Tilal; Attia, Mohamed I.; Abdel-Aziz, Hatem A.","2-(2,3-Dimethylanilino)benzohydrazide","Acta Crystallographica Section E","2012","68","8","o2527","o2528","10.1107/S1600536812032576","","","0.71073","MoKα","","0.05","0.0388","","","0.0954","0.1083","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235853","14.0086","0.0016","9.4215","0.0011","20.61","0.002","90","","109.04","0.002","90","","2571.3","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-<i>N</i>-(5-methylpyridin-2-yl)acetamide","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C112 H104 Br8 N16 O8 -","8","2","HB6903","Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(5-methylpyridin-2-yl)acetamide","Acta Crystallographica Section E","2012","68","8","o2526","","10.1107/S1600536812032631","","","0.71073","MoKα","","0.0548","0.0327","","","0.0626","0.0675","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235854","18.1224","0.0003","7.91914","0.00014","19.7355","0.0004","90","","113.502","0.001","90","","2597.37","0.08","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2,7-Dimethoxy-8-(4-propylbenzoyl)naphthalen-1-yl](4-propylphenyl)methanone","","- C32 H32 O4 -","- C32 H32 O4 -","- C128 H128 O16 -","4","1","HB6909","Sasagawa, Kosuke; Hijikata, Daichi; Sakamoto, Rei; Okamoto, Akiko; Yonezawa, Noriyuki","[2,7-Dimethoxy-8-(4-propylbenzoyl)naphthalen-1-yl](4-propylphenyl)methanone","Acta Crystallographica Section E","2012","68","8","o2596","","10.1107/S1600536812033582","","","1.54187","CuKα","","0.071","0.0477","","","0.1225","0.152","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235855","18.9892","0.0016","6.766","0.0005","13.0072","0.001","90","","95.958","0.003","90","","1662.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-<i>N</i>-(Adamantan-1-yl)carboximidoyl]-6-ethoxyphenol","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C76 H100 N4 O8 -","4","1","HB6914","Shaheen, Muhammad Ashraf; Tahir, M. Nawaz; Irfan, Rana Muhammad; Iqbal, Shahid; Zaneb, Mahreen","2-[(<i>E</i>)-<i>N</i>-(Adamantan-1-yl)carboximidoyl]-6-ethoxyphenol","Acta Crystallographica Section E","2012","68","8","o2588","","10.1107/S1600536812033594","","","0.71073","MoKα","","0.0802","0.0512","","","0.134","0.1575","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235856","7.9449","0.0002","8.8911","0.0002","9.5718","0.0003","90","","100.917","0.002","90","","663.91","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dilead(II) trimanganese(II) bis(hydrogenphosphate) bis(phosphate)","","- H2 Mn3 O16 P4 Pb2 -","- H2 Mn3 O16 P4 Pb2 -","- H4 Mn6 O32 P8 Pb4 -","2","0.5","HP2043","Assani, Abderrazzak; Saadi, Mohamed; Zriouil, Mohammed; El Ammari, Lahcen","Dilead(II) trimanganese(II) bis(hydrogenphosphate) bis(phosphate)","Acta Crystallographica Section E","2012","68","8","i66","","10.1107/S1600536812033259","","","0.71073","MoKα","","0.0203","0.0197","","","0.0501","0.0505","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235857","16.091","0.005","11.189","0.003","13.931","0.003","90","","113.275","0.003","90","","2304.1","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Aquachloridobis[2-(1,3-thiazol-4-yl-κ<i>N</i>)- 1<i>H</i>-benzimidazole-κ<i>N</i>^3^]nickel(II) nitrate","","- C20 H16 Cl N7 Ni O4 S2 -","- C20 H16 Cl N7 Ni O4 S2 -","- C80 H64 Cl4 N28 Ni4 O16 S8 -","4","1","HY2553","Liang, Peng; Wu, Wei; Tian, Wei-Man; Yin, Xian-Hong","Aquachloridobis[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]nickel(II) nitrate","Acta Crystallographica Section E","2012","68","8","m1029","","10.1107/S1600536812029728","","","0.71073","MoKα","","0.0743","0.0536","","","0.1592","0.1739","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235858","9.3257","0.0019","9.1312","0.0018","11.652","0.002","90","","101.344","0.004","90","","972.8","0.3","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')[μ~3~-3-bromo-2- (carboxylatomethyl)benzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^]cadmium] monohydrate]","","- C19 H17 Br Cd N2 O6 -","- C19 H17 Br Cd N2 O6 -","- C38 H34 Br2 Cd2 N4 O12 -","2","1","HY2559","Liu, Yangmei; Cao, Kai; Wang, Fenglin","Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')[μ~3~-3-bromo-2-(carboxylatomethyl)benzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^]cadmium] monohydrate]","Acta Crystallographica Section E","2012","68","8","m1071","","10.1107/S1600536812031297","","","0.71073","MoKα","","0.053","0.049","","","0.1155","0.1175","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235859","14.803","0.004","11.709","0.003","14.082","0.004","90","","101.439","0.004","90","","2392.3","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloridobis[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]cobalt(II) chloride dihydrate","","- C20 H18 Cl2 Co N6 O2 S2 -","- C20 H18 Cl2 Co N6 O2 S2 -","- C80 H72 Cl8 Co4 N24 O8 S8 -","4","1","HY2563","Shi, Zhan-Wang; Qin, Yan; Lin, Yan-Xia; Wu, Wei; Liang, Peng","Chloridobis[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]cobalt(II) chloride dihydrate","Acta Crystallographica Section E","2012","68","8","m1042","m1043","10.1107/S1600536812030371","","","0.71073","MoKα","","0.0418","0.0329","","","0.0894","0.096","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235860","11.713","0.004","6.954","0.002","19.585","0.007","90","","100.507","0.005","90","","1568.5","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-2,2'-(1,4-Phenylene)diacetato-κ^2^<i>O</i>^1^:<i>O</i>^4^]bis[aqua(2,2'- bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] dihydrate","","- C30 H32 Cl2 Cu2 N4 O8 -","- C30 H32 Cl2 Cu2 N4 O8 -","- C60 H64 Cl4 Cu4 N8 O16 -","2","0.5","HY2565","Zhao, Jin-He; Lin, Yan-Xia; Wu, Wei; Zhang, Zhong","[μ-2,2'-(1,4-Phenylene)diacetato-κ^2^<i>O</i>^1^:<i>O</i>^4^]bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] dihydrate","Acta Crystallographica Section E","2012","68","8","m1114","","10.1107/S1600536812029686","","","0.71073","MoKα","","0.0921","0.0832","","","0.1727","0.1768","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235861","9.2553","0.0005","12.4913","0.0005","18.19","0.001","90","","90.156","0.004","90","","2102.95","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(dimethyl phosphate)","","- C10 H36 N6 Ni O8 P2 -","- C10 H36 N6 Ni O8 P2 -","- C40 H144 N24 Ni4 O32 P8 -","4","1","HY2566","Rafizadeh, Masoud; Saadati Moshtaghin, Hamid Reza; Amani, Vahid","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(dimethyl phosphate)","Acta Crystallographica Section E","2012","68","8","m1032","","10.1107/S1600536812029984","","","0.71073","MoKα","","0.0411","0.0336","","","0.0821","0.0848","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235862","9.8643","0.0008","10.1267","0.0009","14.3538","0.0012","91.149","0.001","101.27","0.001","110.857","0.001","1307.75","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)propan-1- one]bis(thiocyanato-κ<i>N</i>)copper(II)","","- C24 H22 Cu N8 O2 S2 -","- C24 H22 Cu N8 O2 S2 -","- C48 H44 Cu2 N16 O4 S4 -","2","1","HY2568","Cai, Hua; Guo, Ying; Li, Jian-Gang","Bis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)propan-1-one]bis(thiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2012","68","8","m1115","","10.1107/S160053681203108X","","","0.71073","MoKα","","0.0385","0.0313","","","0.0868","0.0909","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235863","21.03","0.004","10.01","0.002","16.118","0.003","90","","105.58","0.03","90","","3268.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis{5-fluoro-2-[3-(4- fluorophenyl)pyrazin-2-yl]phenyl-κ^2^<i>N</i>^1^,<i>C</i>^1^}iridium(III)","","- C37 H25 F4 Ir N4 O2 -","- C37 H25 F4 Ir N4 O2 -","- C148 H100 F16 Ir4 N16 O8 -","4","0.5","HY2570","Ge, Guo-Ping; Li, Chun-Yan","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis{5-fluoro-2-[3-(4-fluorophenyl)pyrazin-2-yl]phenyl-κ^2^<i>N</i>^1^,<i>C</i>^1^}iridium(III)","Acta Crystallographica Section E","2012","68","8","m1079","","10.1107/S1600536812031546","","","0.71073","MoKα","","0.0335","0.032","","","0.0773","0.0787","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235864","9.0169","0.0006","14.5503","0.0008","14.1473","0.0008","90","","106.561","0.005","90","","1779.11","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dibromido(dimethyl sulfoxide-κ<i>O</i>)(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium","","- C13 H16 Br2 Cd N2 O S -","- C13 H16 Br2 Cd N2 O S -","- C52 H64 Br8 Cd4 N8 O4 S4 -","4","1","HY2573","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromido(dimethyl sulfoxide-κ<i>O</i>)(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium","Acta Crystallographica Section E","2012","68","8","m1124","","10.1107/S1600536812033168","","","0.71073","MoKα","","0.0766","0.0594","","","0.1652","0.175","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235865","7.7487","0.0003","11.3404","0.0003","14.2969","0.0004","90","","90","","90","","1256.32","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(<i>E</i>)-4-Fluorobenzylidene]-3,4-dimethylaniline","","- C15 H14 F N -","- C15 H14 F N -","- C60 H56 F4 N4 -","4","1","IM2381","Jin, Yue-Bao; Chang, Yong-Kang; Zhang, Ying; Lei, Ke-Wei","<i>N</i>-[(<i>E</i>)-4-Fluorobenzylidene]-3,4-dimethylaniline","Acta Crystallographica Section E","2012","68","8","o2415","","10.1107/S1600536812030474","","","0.71073","MoKα","","0.0489","0.0397","","","0.0965","0.103","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235866","13.5","0.0018","29.964","0.005","7.5565","0.0005","90","","90","","90","","3056.7","0.7","113","2","113","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-Bromophthalazine hemihydrate","","- C8 H6 Br N2 O0.5 -","- C8 H6 Br N2 O0.5 -","- C128 H96 Br16 N32 O8 -","16","1","IM2382","Cai, Mingjian","5-Bromophthalazine hemihydrate","Acta Crystallographica Section E","2012","68","8","o2421","","10.1107/S1600536812030358","","","0.71073","MoKα","","0.0298","0.0292","","","0.0739","0.0742","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235867","6.8666","0.0002","7.8783","0.0002","8.4335","0.0002","100.221","0.001","99.255","0.001","99.328","0.001","434.53","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetramethyl tetrathiafulvalene-2,3,6,7-tetracarboxylate","","- C14 H12 O8 S4 -","- C14 H12 O8 S4 -","- C14 H12 O8 S4 -","1","0.5","IM2387","Katzsch, Felix; Weber, Edwin","Redetermination of tetramethyl tetrathiafulvalene-2,3,6,7-tetracarboxylate","Acta Crystallographica Section E","2012","68","8","o2354","o2355","10.1107/S1600536812029534","","","0.71073","MoKα","","0.0214","0.0206","","","0.054","0.0545","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235868","16.598","0.008","35.455","0.018","9.821","0.005","90","","90.718","0.005","90","","5779","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-(4- isobutylphenyl)propanohydrazide","","- C20 H23 Br N2 O2 -","- C20 H23 Br N2 O2 -","- C240 H276 Br12 N24 O24 -","12","3","IM2391","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A.","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-(4-isobutylphenyl)propanohydrazide","Acta Crystallographica Section E","2012","68","8","o2364","o2365","10.1107/S1600536812030322","","","0.71075","MoKα","","0.1106","0.0887","","","0.226","0.2455","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235869","7.653","0.0006","8.4128","0.0006","8.6286","0.0006","90","","90","","90","","555.54","0.07","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-4-fluoroproline","(2<i>S</i>,4<i>R</i>)-4-Fluoropyrrolidinium-2-carboxylate","","- C5 H8 F N O2 -","- C5 H8 F N O2 -","- C20 H32 F4 N4 O8 -","4","1","IM2392","Hobart Jr, David B.; Merola, Joseph S.","(2<i>S</i>,4<i>R</i>)-4-Fluoropyrrolidinium-2-carboxylate","Acta Crystallographica Section E","2012","68","8","o2490","","10.1107/S1600536812031741","","","0.71073","MoKα","","0.0492","0.0378","","","0.0694","0.0727","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235870","9.7464","0.0014","12.1633","0.0016","13.5352","0.0018","90","","90","","90","","1604.6","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H24 Br2 -","- C16 H24 Br2 -","- C64 H96 Br8 -","4","1","IM2394","Benharref, Ahmed; El Ammari, Lahcen; Lassaba, Essêdiya; Ourhriss, Najia; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2012","68","8","o2502","","10.1107/S1600536812032333","","","0.71073","MoKα","","0.0929","0.0487","","","0.1114","0.1322","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235871","8.7776","0.0015","8.7959","0.0015","41.737","0.007","90","","90","","90","","3222.4","0.9","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-ethyl-13-hydroxy-14-methyl-2-(3,4,5-trimethoxy-6-methyltetrahydro-2<i>H</i>- pyran-2-yloxy)-3,3a,5b,6,9,10,11,12,13,14,16a,16b-dodecahydro-1<i>H</i>- <i>as</i>-indaceno[3,2-<i>d</i>][1]oxacyclododecine-7,15(2<i>H</i>,5a<i>H</i>)- dione","","- C33 H50 O9 -","- C33 H50 O9 -","- C132 H200 O36 -","4","1","IS5144","Chai, Hongxin; Liu, Mingxing; Zhang, Qi; Shi, Daxin; Li, Jiarong","Pseudoaglycone of Spinosyn A","Acta Crystallographica Section E","2012","68","8","o2488","","10.1107/S1600536812028851","","","0.71073","MoKα","","0.061","0.0525","","","0.1285","0.1339","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235872","10.4378","0.0007","13.911","0.0009","17.542","0.0015","90","","106.146","0.008","90","","2446.6","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-methoxy-3-nitrobenzamido)acetate","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C88 H96 N16 O48 -","8","2","IS5151","Zhu, Xin; Ma, Qiujuan","Methyl 2-(4-methoxy-3-nitrobenzamido)acetate","Acta Crystallographica Section E","2012","68","8","o2343","","10.1107/S1600536812029522","","","1.54184","CuKα","","0.0664","0.052","","","0.1408","0.1546","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235873","20.5577","0.0015","5.5281","0.0003","13.1315","0.0009","90","","118.477","0.009","90","","1311.77","0.19","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-[(<i>E</i>)-(4-Fluorobenzyl)iminomethyl]-6-methoxyphenol","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","IS5154","Yu, Hong; Jin, Yue-Bao; Chang, Yong-Kang; Lei, Ke-Wei","2-[(<i>E</i>)-(4-Fluorobenzyl)iminomethyl]-6-methoxyphenol","Acta Crystallographica Section E","2012","68","8","o2401","","10.1107/S1600536812027419","","","0.71073","MoKα","","0.0451","0.0415","","","0.1221","0.1249","","","","","","1.165","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235874","13.3348","0.0002","14.2045","0.0002","15.9132","0.0003","90","","90","","90","","3014.19","0.08","100","1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4- dimethylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one","","- C15 H9 Cl2 F3 N2 O2 -","- C15 H9 Cl2 F3 N2 O2 -","- C120 H72 Cl16 F24 N16 O16 -","8","1","IS5160","Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4-dimethylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2350","","10.1107/S1600536812029789","","","0.71073","MoKα","","0.0452","0.0364","","","0.0891","0.0957","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235875","11.0365","0.0003","13.4763","0.0003","20.0092","0.0006","90","","90","","90","","2975.99","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C112 H144 N16 O24 S8 -","8","1","IS5161","Al-Said, Mansour S.; Ghorab, Mostafa M.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2370","","10.1107/S1600536812029996","","","1.54178","CuKα","","0.0499","0.0438","","","0.1206","0.125","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235876","6.4554","0.0003","14.0258","0.0006","20.2264","0.0009","94.61","0.002","95.568","0.003","98.317","0.003","1795.23","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4<i>H</i>-1,2,4-triazole","","- C20 H25 N3 S -","- C20 H25 N3 S -","- C80 H100 N12 S4 -","4","2","IS5162","Al-Abdullah, Ebtehal S.; El-Emam, Ali A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2012","68","8","o2427","o2428","10.1107/S1600536812030784","","","1.54178","CuKα","","0.0786","0.0519","","","0.1259","0.1426","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235877","7.5539","0.0009","23.332","0.003","13.6027","0.0016","90","","94.275","0.002","90","","2390.8","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>',<i>N</i>''<i>Z</i>,<i>N</i>',<i>N</i>''<i>E</i>)- <i>N</i>',<i>N</i>''-[1-(4-Chlorophenyl)ethane-1,2-diylidene]bis(3- methyl-1-benzofuran-2-carbohydrazide)","","- C28 H21 Cl N4 O4 -","- C28 H21 Cl N4 O4 -","- C112 H84 Cl4 N16 O16 -","4","1","IS5163","Fun, Hoong-Kun; Chia, Tze Shyang; Alafeefy, Ahmed M.; Abdel-Aziz, Hatem A.","(<i>N</i>',<i>N</i>''<i>Z</i>,<i>N</i>',<i>N</i>''<i>E</i>)-<i>N</i>',<i>N</i>''-[1-(4-Chlorophenyl)ethane-1,2-diylidene]bis(3-methyl-1-benzofuran-2-carbohydrazide)","Acta Crystallographica Section E","2012","68","8","o2405","o2406","10.1107/S1600536812030504","","","0.71073","MoKα","","0.0841","0.0482","","","0.1216","0.1438","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235878","5.4406","0.0003","8.5715","0.0004","9.2392","0.0004","104.221","0.002","91.776","0.002","96.362","0.002","414.33","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-(3-Chlorophenyl)thiourea","","- C7 H7 Cl N2 S -","- C7 H7 Cl N2 S -","- C14 H14 Cl2 N4 S2 -","2","1","IS5164","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","1-(3-Chlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2423","","10.1107/S160053681203084X","","","0.71073","MoKα","","0.0344","0.031","","","0.0814","0.0846","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235879","12.2913","0.0008","9.9753","0.0008","19.9993","0.0014","90","","100.884","0.004","90","","2408","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>,5<i>E</i>)-3,5-Bis(4-methylbenzylidene)-1-[3-(piperidin-1- yl)propanoyl]piperidin-4-one","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C116 H136 N8 O8 -","4","1","IS5165","Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Arshad, Suhana; Razak, Ibrahim Abdul","(3<i>E</i>,5<i>E</i>)-3,5-Bis(4-methylbenzylidene)-1-[3-(piperidin-1-yl)propanoyl]piperidin-4-one","Acta Crystallographica Section E","2012","68","8","o2493","o2494","10.1107/S1600536812031820","","","0.71073","MoKα","","0.1671","0.0781","","","0.1856","0.2275","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235880","12.84","0.0002","8.9261","0.0001","17.9634","0.0003","90","","118.476","0.001","90","","1809.72","0.05","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Benzyl-2-[(2-phenylcyclohex-2-enyl)imino]-1,3-thiazolidin-4-one","","- C22 H22 N2 O S -","- C22 H22 N2 O S -","- C88 H88 N8 O4 S4 -","4","1","IS5168","Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram","(<i>Z</i>)-3-Benzyl-2-[(2-phenylcyclohex-2-enyl)imino]-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","8","o2563","o2564","10.1107/S1600536812033211","","","0.71073","MoKα","","0.0682","0.0452","","","0.1027","0.1151","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235881","10.087","0.0011","12.1904","0.0013","16.5045","0.0018","90","","90","","90","","2029.5","0.4","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium bromide ethanol monosolvate","","- C21 H21 Br N4 O -","- C21 H21 Br N4 O -","- C84 H84 Br4 N16 O4 -","4","1","IS5169","Fun, Hoong-Kun; Chia, Tze Shyang; Mostafa, Gamal A. E.; Hefnawy, Mohamed M.; Abdel-Aziz, Hatem A.","2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium bromide ethanol monosolvate","Acta Crystallographica Section E","2012","68","8","o2566","","10.1107/S1600536812032953","","","0.71073","MoKα","","0.0307","0.0257","","","0.0631","0.0644","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235882","9.8809","0.0001","22.6572","0.0003","16.009","0.0002","90","","110.441","0.001","90","","3358.32","0.07","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium tetraphenylborate","","- C43 H35 B N4 -","- C43 H35 B N4 -","- C172 H140 B4 N16 -","4","1","IS5170","Fun, Hoong-Kun; Chia, Tze Shyang; Mostafa, Gamal A. E.; Hefnawy, Mohamed M.; Abdel-Aziz, Hatem A.","2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium tetraphenylborate","Acta Crystallographica Section E","2012","68","8","o2567","","10.1107/S1600536812032941","","","0.71073","MoKα","","0.0697","0.0497","","","0.1099","0.1206","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235883","4.9254","0.0003","9.7194","0.0005","14.917","0.0011","90","","108.313","0.003","90","","677.94","0.07","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,2'-(1,4-phenylenedioxy)diacetate","","- C14 H18 O6 -","- C14 H18 O6 -","- C28 H36 O12 -","2","0.5","JJ2131","Husson, Jérôme; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.","Diethyl 2,2'-(1,4-phenylenedioxy)diacetate","Acta Crystallographica Section E","2012","68","8","o2422","","10.1107/S1600536812030747","","","0.71073","MoKα","","0.0532","0.0453","","","0.1071","0.1138","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235884","8.1253","0.0002","8.6138","0.0002","18.9368","0.0004","90","","90","","90","","1325.38","0.05","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,6-Diazaoctane-1,8-diaminium diiodide","","- C6 H20 I2 N4 -","- C6 H20 I2 N4 -","- C24 H80 I8 N16 -","4","0.5","JJ2132","Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.","3,6-Diazaoctane-1,8-diaminium diiodide","Acta Crystallographica Section E","2012","68","8","o2387","","10.1107/S1600536812030127","","","0.7107","MoKα","","0.0337","0.0226","","","0.0521","0.0533","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235885","11.5374","0.0004","6.4759","0.0002","15.5264","0.0006","90","","104.207","0.002","90","","1124.58","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(Piperazine-1,4-diyl)diethanaminium bis(2-hydroxybenzoate)","","- C22 H32 N4 O6 -","- C22 H32 N4 O6 -","- C44 H64 N8 O12 -","2","0.5","JJ2133","Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.","2,2'-(Piperazine-1,4-diyl)diethanaminium bis(2-hydroxybenzoate)","Acta Crystallographica Section E","2012","68","8","o2388","","10.1107/S1600536812030103","","","0.71073","MoKα","","0.0945","0.0503","","","0.1306","0.1469","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235886","19.53","0.0004","6.6694","0.0002","19.6178","0.0004","90","","115.989","0.001","90","","2296.89","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-(Piperazine-1,4-diyl)diethanaminium dibenzoate","","- C22 H32 N4 O4 -","- C22 H32 N4 O4 -","- C88 H128 N16 O16 -","4","1","JJ2134","Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.","2,2'-(Piperazine-1,4-diyl)diethanaminium dibenzoate","Acta Crystallographica Section E","2012","68","8","o2389","","10.1107/S1600536812030115","","","0.7107","MoKα","","0.054","0.0401","","","0.1058","0.1099","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235887","8.978","0.002","6.415","0.0016","11.354","0.003","90","","101.696","0.003","90","","640.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Oxo-1,6-dihydropyridazine-3-carbaldehyde monohydrate","","- C5 H6 N2 O3 -","- C5 H6 N2 O3 -","- C20 H24 N8 O12 -","4","1","JJ2141","Wang, Lei","6-Oxo-1,6-dihydropyridazine-3-carbaldehyde monohydrate","Acta Crystallographica Section E","2012","68","8","o2483","","10.1107/S1600536812031674","","","0.71073","MoKα","","0.0711","0.0509","","","0.1409","0.1591","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235888","8.476","0.0017","5.927","0.0012","24.996","0.005","90","","94.77","0.03","90","","1251.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Phenyl <i>N</i>-(5-chloro-2-nitrophenyl)carbamate","","- C13 H9 Cl N2 O4 -","- C13 H9 Cl N2 O4 -","- C52 H36 Cl4 N8 O16 -","4","1","JJ2143","Zou, Bao-Hua; Fang, Zheng; Zhong, Hui; Kai, Guo; Wei, Ping","Phenyl <i>N</i>-(5-chloro-2-nitrophenyl)carbamate","Acta Crystallographica Section E","2012","68","8","o2547","","10.1107/S1600536812030930","","","0.71073","MoKα","","0.0785","0.0455","","","0.1306","0.1548","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235889","13.344","0.015","10.693","0.014","23.537","0.013","90","","90","","90","","3358","6","193","2","193","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(<i>S</i>,<i>E</i>)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)- 2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","1","JJ2144","Tinguiano, Daniel; Sy, Adama; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal","(<i>S</i>,<i>E</i>)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2374","o2375","10.1107/S1600536812030012","","","1.54187","CuKα","","0.0382","0.0353","","","0.0944","0.0983","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235890","15.6093","0.0006","10.7114","0.0004","21.0045","0.0009","90","","106.896","0.002","90","","3360.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[Bis(morpholin-4-yl)phosphinoyl]-4-fluorobenzamide","","- C15 H21 F N3 O4 P -","- C15 H21 F N3 O4 P -","- C120 H168 F8 N24 O32 P8 -","8","2","JJ2145","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Keikha, Mojtaba; Rheingold, Arnold L.; Golen, James A.","A second monoclinic polymorph of <i>N</i>-[bis(morpholin-4-yl)phosphinoyl]-4-fluorobenzamide with the <i>P</i>2~1~/<i>n</i> space group","Acta Crystallographica Section E","2012","68","8","o2444","","10.1107/S1600536812031418","","","0.71073","MoKα","","0.0752","0.0558","","","0.1457","0.1595","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235891","9.8704","0.0011","12.6776","0.0011","15.6472","0.0014","90.735","0.007","98.213","0.009","108.187","0.009","1837.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","2-[Bis(benzoyl)amino]-1,4-naphthoquinone","<i>N</i>-Benzoyl-<i>N</i>-(1,4-dioxonaphthalen-2-yl)benzamide","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C96 H60 N4 O16 -","4","2","JJ2146","Brandy, Yakini; Butcher, Ray J.; Bakare, Oladapo","<i>N</i>-Benzoyl-<i>N</i>-(1,4-dioxonaphthalen-2-yl)benzamide","Acta Crystallographica Section E","2012","68","8","o2379","","10.1107/S1600536812030231","","","0.71073","MoKα","","0.1044","0.0696","","","0.2017","0.2205","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235892","11.4017","0.0007","13.173","0.0005","19.1961","0.0009","90","","104.438","0.006","90","","2792.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-Butyl-4-butylimino-2-methylpentan-2-aminium (<i>E</i>)-quercetinate","<i>N</i>-Butyl-4-butylimino-2-methylpentan-2-aminium 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4<i>H</i>-1-benzopyran-7-olate","","- C29 H40 N2 O7 -","- C29 H40 N2 O7 -","- C116 H160 N8 O28 -","4","1","KJ2204","Grosu, Ioana-Georgeta; Borodi, Gheorghe; Pop, Mihaela Maria","<i>N</i>-Butyl-4-butylimino-2-methylpentan-2-aminium (<i>E</i>)-quercetinate","Acta Crystallographica Section E","2012","68","8","o2450","","10.1107/S1600536812031170","","","0.7107","MoKα","","0.0843","0.0646","","","0.2178","0.2328","","","","","","1.566","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235893","15.1054","0.0006","14.6407","0.0006","14.2267","0.0006","90","","96.997","0.002","90","","3122.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl(η^5^-cyclopentadienyl)(hexamethylenetetramine- κ<i>N</i>^1^)iron(II) tetrafluoridoborate","","- C13 H17 B F4 Fe N4 O2 -","- C13 H17 B F4 Fe N4 O2 -","- C104 H136 B8 F32 Fe8 N32 O16 -","8","2","KJ2206","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Omondi, Bernard","Dicarbonyl(η^5^-cyclopentadienyl)(hexamethylenetetramine-κ<i>N</i>^1^)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","8","m1077","","10.1107/S1600536812031649","","","0.71073","MoKα","","0.0418","0.0342","","","0.0874","0.0915","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235894","6.426","0.0007","36.908","0.004","6.6821","0.0007","90","","100.464","0.002","90","","1558.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Difluorophenyl)thiourea","","- C7 H6 F2 N2 S -","- C7 H6 F2 N2 S -","- C56 H48 F16 N16 S8 -","8","2","KJ2208","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","1-(2,4-Difluorophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2460","","10.1107/S1600536812031625","","","0.71073","MoKα","","0.0407","0.0325","","","0.0721","0.0774","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235895","13.185","0.004","9.189","0.003","13.287","0.004","90","","109.04","0.03","90","","1521.7","0.9","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-Carboxyphenylboronic acid‒theophylline (1/1)","3-(Dihydroxyboranyl)benzoic acid‒1,3-dimethyl-7<i>H</i>-purine-2,6-dione (1/1)","","- C14 H15 B N4 O6 -","- C14 H15 B N4 O6 -","- C56 H60 B4 N16 O24 -","4","1","KP2425","Dyulgerov, Ventsi; Nikolova, Rositsa P.; Dimova, Louiza T.; Shivachev, Boris L.","3-Carboxyphenylboronic acid‒theophylline (1/1)","Acta Crystallographica Section E","2012","68","8","o2320","","10.1107/S1600536812029467","","","0.71073","MoKα","","0.0825","0.0496","","","0.1275","0.145","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235896","9.276","0.0002","13.999","0.0003","8.397","0.0002","90","","97.448","0.002","90","","1081.19","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide","","- C9 H10 Cl N3 S -","- C9 H10 Cl N3 S -","- C36 H40 Cl4 N12 S4 -","4","1","KP2427","Mendoza-Meroño, Rafael; García-Granda, Santiago","(<i>E</i>)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide","Acta Crystallographica Section E","2012","68","8","o2309","","10.1107/S1600536812029133","","","1.5418","CuKα","","0.0399","0.0365","","","0.0996","0.1039","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235897","7.275","0.0015","7.9108","0.0016","12.966","0.003","77.91","0.03","84.59","0.03","67.23","0.03","672.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ~3~-pyrimidine-4-carboxylato)bis(μ~2~-pyrimidine-4- carboxylato)tetrakis(aqualithium)","","- C20 H20 Li4 N8 O12 -","- C20 H20 Li4 N8 O12 -","- C20 H20 Li4 N8 O12 -","1","0.5","KP2430","Starosta, Wojciech; Leciejewicz, Janusz","Bis(μ~3~-pyrimidine-4-carboxylato)bis(μ~2~-pyrimidine-4-carboxylato)tetrakis(aqualithium)","Acta Crystallographica Section E","2012","68","8","m1065","m1066","10.1107/S160053681203142X","","","0.71073","MoKα","","0.092","0.0444","","","0.131","0.1644","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235898","6.4976","0.0006","13.3343","0.0016","15.7648","0.0014","90","","90","","90","","1365.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-Methyl-5-[(<i>R</i>)-2,4,4,4-tetrachlorobutan-2-yl]cyclohex-2-enone","","- C11 H14 Cl4 O -","- C11 H14 Cl4 O -","- C44 H56 Cl16 O4 -","4","1","KP2431","Boualy, Brahim; Harrad, Mohamed Anouar; El Firdoussi, Larbi; Ali, Mustapha Ait; Stoeckli-Evans, Helen","(<i>R</i>)-2-Methyl-5-[(<i>R</i>)-2,4,4,4-tetrachlorobutan-2-yl]cyclohex-2-enone","Acta Crystallographica Section E","2012","68","8","o2451","o2452","10.1107/S1600536812031194","","","0.71073","MoKα","","0.0486","0.0285","","","0.0585","0.063","","","","","","0.866","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235899","13.0488","0.0004","11.1874","0.0003","9.9295","0.0003","90","","105.709","0.002","90","","1395.39","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran","","- C15 H10 Br F O2 S -","- C15.006 H10 Br F O2 S -","- C60.024 H40 Br4 F4 O8 S4 -","4","1","KP2435","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","8","o2491","","10.1107/S1600536812032394","","","0.71073","MoKα","","0.0696","0.0433","","","0.1025","0.1153","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235900","17.628","0.003","5.2641","0.0009","16.062","0.003","90","","100.528","0.002","90","","1465.4","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[2-(3-Fluorophenyl)ethenyl]quinolin-8-yl acetate","","- C19 H14 F N O2 -","- C19 H14 F N O2 -","- C76 H56 F4 N4 O8 -","4","1","LD2060","Huo, Yan-Ping; Nie, Xiao-Li; Fang, Xiao-Ming","(<i>E</i>)-2-[2-(3-Fluorophenyl)ethenyl]quinolin-8-yl acetate","Acta Crystallographica Section E","2012","68","8","o2420","","10.1107/S1600536812030255","","","0.71073","MoKα","","0.0512","0.0436","","","0.1255","0.1343","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235901","15.4948","0.0003","16.1272","0.0003","22.443","0.0004","90","","90","","90","","5608.23","0.18","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxymethyl-10-methoxy-17,22- dioxapentacyclo[21.2.2.2^13,16^.1^3,7^.0^11,30^]triaconta- 1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate","","- C33 H32 O7 -","- C33 H32 O7 -","- C264 H256 O56 -","8","1","LD2069","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","4-Hydroxymethyl-10-methoxy-17,22-dioxapentacyclo[21.2.2.2^13,16^.1^3,7^.0^11,30^]triaconta-1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate","Acta Crystallographica Section E","2012","68","8","o2598","o2599","10.1107/S1600536812033521","","","1.54187","CuKα","","0.0381","0.0365","","","0.0967","0.098","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235902","7.8335","0.0006","10.9081","0.0008","13.8067","0.001","68.999","0.001","84.952","0.001","83.355","0.001","1092.62","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-aqua-bis[diaquabis(thiocyanato-κ<i>N</i>)iron(II)]‒ 1,4-bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene (1/3)","","- C34 H36 Fe2 N22 O6 S4 -","- C34 H36 Fe2 N22 O6 S4 -","- C34 H36 Fe2 N22 O6 S4 -","1","0.5","LH5483","Yang, Pan; Ding, Bin; Du, Gui-Xiang","The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κ<i>N</i>)iron(II)]‒1,4-bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene (1/3)","Acta Crystallographica Section E","2012","68","8","m1038","m1039","10.1107/S1600536812026141","","","0.71073","MoKα","","0.0348","0.0307","","","0.0743","0.077","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235903","6.85562","0.0001","12.12898","0.00016","17.0304","0.0002","90","","94.2306","0.0013","90","","1412.25","0.03","136","7","136","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 9-fluoro-5,12-dioxo-5,12-dihydroindolizino[2,3-<i>g</i>]quinoline-6-carboxylate","","- C18 H11 F N2 O4 -","- C18 H11 F N2 O4 -","- C72 H44 F4 N8 O16 -","4","1","LH5489","Zhang, Da-Li; Zhang, Li-Ping; Yao, Jia; Wu, Xi-Wei; An, Lin-Kun","Ethyl 9-fluoro-5,12-dioxo-5,12-dihydroindolizino[2,3-<i>g</i>]quinoline-6-carboxylate","Acta Crystallographica Section E","2012","68","8","o2548","","10.1107/S160053681202692X","","","1.5418","CuKα","","0.0487","0.0372","","","0.0876","0.1007","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235904","13.2007","0.0003","13.8024","0.0003","16.2009","0.0003","80.811","0.001","71.012","0.001","88.538","0.001","2754.28","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis[2,6-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine- κ<i>N</i>]zinc dipicrate methanol disolvate","","- C56 H46 N16 O16 Zn -","- C56 H46 N16 O16 Zn -","- C112 H92 N32 O32 Zn2 -","2","1","LH5492","Fan, Xuyang; Yuan, Jingkun; Bai, Ying; Kong, Jin; Wu, Huilu","Bis[2,6-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]zinc dipicrate methanol disolvate","Acta Crystallographica Section E","2012","68","8","m1072","","10.1107/S1600536812031443","","","0.71073","MoKα","","0.0448","0.0392","","","0.1044","0.1106","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235905","10.7244","0.0005","4.6021","0.0002","11.128","0.0005","90","","100.367","0.002","90","","540.25","0.04","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>-[(<i>E</i>)-Thiophen-2-ylmethylidene]-1,3-benzothiazol-2-amine","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C24 H16 N4 S4 -","2","1","LH5495","Booysen, Irvin N.; Ismail, Muhammed B.; Akerman, Matthew P.","<i>N</i>-[(<i>E</i>)-Thiophen-2-ylmethylidene]-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","8","o2489","","10.1107/S1600536812030498","","","0.71073","MoKα","","0.0375","0.0333","","","0.082","0.0847","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235906","8.0907","0.0002","18.523","0.0004","21.1162","0.0004","90","","96.674","0.002","90","","3143.11","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato- 1:2κ^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino- 2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>', <i>O</i>^1^}-μ-azido-1:2κ^2^<i>N</i>:<i>N</i>-azido-2κ<i>N</i>- methanol-2κ<i>O</i>-dinickel(II)","","- C27 H42 N10 Ni2 O5 -","- C27 H42 N10 Ni2 O5 -","- C108 H168 N40 Ni8 O20 -","4","1","LH5496","Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T.","{μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1:2κ^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}-μ-azido-1:2κ^2^<i>N</i>:<i>N</i>-azido-2κ<i>N</i>-methanol-2κ<i>O</i>-dinickel(II)","Acta Crystallographica Section E","2012","68","8","m1027","m1028","10.1107/S1600536812029662","","","0.71073","MoKα","","0.0414","0.0314","","","0.0704","0.0755","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235907","6.2808","0.0014","8.63","0.002","9.389","0.002","88.603","0.006","83.638","0.005","69.088","0.005","472.4","0.18","92","2","92","2","","","","","","","","3","P -1","-P 1","2","","6-Hydroxy-7,8-dimethylchroman-2-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","LH5497","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","6-Hydroxy-7,8-dimethylchroman-2-one","Acta Crystallographica Section E","2012","68","8","o2332","o2333","10.1107/S1600536812029704","","","0.71073","MoKα","","0.0755","0.0648","","","0.1796","0.1877","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235908","13.7293","0.0012","45.892","0.004","14.8108","0.0013","90","","92.828","0.001","90","","9320.4","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato- κ^2^<i>N</i>,<i>O</i>]cobalt(III)","","- C27 H24 Cl6 Co N3 O3 -","- C27 H24 Cl6 Co N3 O3 -","- C324 H288 Cl72 Co12 N36 O36 -","12","3","LH5498","Huang, Qiu Ping; Guo, Jing Jing; Zhang, Yi Dong; Zhang, Shu Hua","Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)","Acta Crystallographica Section E","2012","68","8","m1047","","10.1107/S160053681203067X","","","0.71073","MoKα","","0.1179","0.0609","","","0.1432","0.1711","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235909","21.4015","0.0006","20.7277","0.0004","7.6975","0.0002","90","","109.103","0.003","90","","3226.6","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(Methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C136 H152 N24 O24 -","8","1","LH5499","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","2-(Methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","Acta Crystallographica Section E","2012","68","8","o2426","","10.1107/S160053681203070X","","","0.71073","MoKα","","0.0542","0.04","","","0.0958","0.1051","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235910","9.1674","0.0002","5.7551","0.0001","13.1112","0.0003","90","","106.954","0.0008","90","","661.67","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyl-3,5-dideoxy-3,5-imino-1,2-<i>O</i>-isopropylidene- β-L-lyxofuranose","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","LH5500","Edgeley, David S.; Jenkinson, Sarah F.; Lenagh-Snow, Gabriel; Rutherford, Catherine; Fleet, George W. J.; Thompson, Amber L.","<i>N</i>-Benzyl-3,5-dideoxy-3,5-imino-1,2-<i>O</i>-isopropylidene-β-<small>L</small>-lyxofuranose","Acta Crystallographica Section E","2012","68","8","o2410","","10.1107/S1600536812030656","","","0.71073","MoKα","","0.0354","0.0333","","0.0872","0.0839","0.0872","","","","","","0.9426","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235911","11.2483","0.0003","12.2309","0.0003","12.7494","0.0003","90","","91.936","0.001","90","","1753.02","0.08","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7-Dimethoxy-1-(2-naphthoyl)naphthalene","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","LH5502","Tsumuki, Takehiro; Isogai, Atsumi; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki","2,7-Dimethoxy-1-(2-naphthoyl)naphthalene","Acta Crystallographica Section E","2012","68","8","o2595","","10.1107/S1600536812033545","","","1.54187","CuKα","","0.0524","0.0428","","","0.1156","0.126","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235912","9.4622","0.0003","16.882","0.0005","10.8301","0.0004","90","","111.842","0.004","90","","1605.82","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-7,7-dimethyl-5-oxo-4-(<i>p</i>-tolyl)-5,6,7,8-tetrahydro- 4<i>H</i>-chromene-3-carbonitrile","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","LH5503","Anthal, Sumati; Brahmachari, Goutam; Laskar, Sujay; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","2-Amino-7,7-dimethyl-5-oxo-4-(<i>p</i>-tolyl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2592","o2593","10.1107/S1600536812033570","","","0.71073","MoKα","","0.063","0.0456","","","0.1048","0.1147","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235913","9.4213","0.0012","9.5718","0.0013","11.4392","0.0015","74.478","0.01","78.635","0.01","73.339","0.01","944.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","[Bis(5-chlorosalicylidene)-2,2-dimethyl-1,3-propane]copper(II)","{4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C19 H18 Cl2 Cu N2 O2 -","- C19 H18 Cl2 Cu N2 O2 -","- C38 H36 Cl4 Cu2 N4 O4 -","2","1","LH5504","Kargar, Hadi; Kia, Reza; Ganji, Fatemeh; Mirkhani, Valiollah","{4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","8","m1135","","10.1107/S1600536812033491","","","0.71073","MoKα","","0.0607","0.0417","","","0.0913","0.0975","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235914","8.8125","0.0005","12.5907","0.0007","21.9393","0.0011","90","","90","","90","","2434.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Andirobin","methyl 2-{(1<i>R</i>,2<i>R</i>)-2-[(1a<i>S</i>,4<i>S</i>,4a<i>S</i>,8a<i>S</i>)- 4-(furan-3-yl)-4a-methyl-8-methylene-2- oxooctahydrooxireno[2,3-<i>d</i>]isochromen-7-yl]-2,6,6-trimethyl- 5-oxocyclohex-3-en-1-yl}acetate","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","LR2061","Jittaniyom, Chutima; Sommit, Damrong; Muangsin, Nongnuj; Pudhom, Khanitha","Andirobin from <i>X. moluccensis</i>","Acta Crystallographica Section E","2012","68","8","o2550","o2551","10.1107/S1600536812027705","","","0.71073","MoKα","","0.0491","0.0411","","","0.1098","0.1167","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235915","5.0755","0.0002","12.5088","0.0006","13.3304","0.0005","90.562","0.003","95.711","0.003","94.378","0.002","839.54","0.06","295","2","295","","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(3-phenylthioureido)-5,6-dihydro-4<i>H</i>- cyclopenta[<i>b</i>]thiophene-3-carboxylate","","- C17 H18 N2 O2 S2 -","- C17 H18 N2 O2 S2 -","- C34 H36 N4 O4 S4 -","2","1","LR2068","de Oliveira, Jaismary G. B.; Mendonça Junior, Francisco J. B.; do Lima, Maria; de Simone, Carlos A.; Ellena, Javier A.","Ethyl 2-(3-phenylthioureido)-5,6-dihydro-4<i>H</i>-cyclopenta[<i>b</i>]thiophene-3-carboxylate","Acta Crystallographica Section E","2012","68","8","o2360","","10.1107/S1600536812029893","","","0.71073","MoKα","","0.0672","0.0445","","","0.1108","0.1287","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235916","13.6069","0.0003","15.2763","0.0003","11.2778","0.0002","90","","104.094","0.002","90","","2273.67","0.08","285.4","","285.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Diphenylamino)benzaldehyde 4-phenylthiosemicarbazone","","- C26 H22 N4 S -","- C26 H22 N4 S -","- C104 H88 N16 S4 -","4","1","LR2069","Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; García-Granda, Santiago","4-(Diphenylamino)benzaldehyde 4-phenylthiosemicarbazone","Acta Crystallographica Section E","2012","68","8","o2402","o2403","10.1107/S160053681203053X","","","1.5418","CuKα","","0.0643","0.0491","","","0.1335","0.149","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235917","7.721","0.007","9.444","0.009","9.726","0.009","86.669","0.008","74.69","0.008","69.995","0.007","642.3","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(Phenylsulfonyl)naphthalene","","- C16 H12 O2 S -","- C16 H12 O2 S -","- C32 H24 O4 S2 -","2","1","LR2072","Fu, Ying; Zhu, Wenbo; Hou, Hongxia; He, Yinxia; Li, Hulin","1-(Phenylsulfonyl)naphthalene","Acta Crystallographica Section E","2012","68","8","o2434","","10.1107/S1600536812030929","","","0.71073","MoKα","","0.0473","0.0376","","","0.0901","0.0965","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235918","7.9266","0.0004","14.6911","0.0007","10.5309","0.0005","90","","107.262","0.002","90","","1171.09","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Diiodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-\ tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)","","- C6 H16 I2 N2 Pd -","- C6 H16 I2 N2 Pd -","- C24 H64 I8 N8 Pd4 -","4","0.5","LR2073","Abellán-López, Antonio; Chicote-Olalla, María Teresa; Bautista-Cerezo, Delia","<i>cis</i>-Diiodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2012","68","8","m1129","","10.1107/S1600536812033004","","","0.71073","MoKα","","0.024","0.0232","","","0.0592","0.0597","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235919","15.8861","0.0013","7.4891","0.0006","17.1018","0.0018","90","","117.45","0.005","90","","1805.6","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","bis(2-bromoethyl)ammonium bromide","","- C4 H10 Br3 N -","- C4 H10 Br3 N -","- C32 H80 Br24 N8 -","8","4","LR2074","Padayachy, Kamentheren; Fernandes, Manuel A.; Marques, Helder M.; de Sousa, Alvaro S.","Bis(2-bromoethyl)ammonium bromide","Acta Crystallographica Section E","2012","68","8","o2570","o2571","10.1107/S1600536812033417","","","0.71073","MoKα","","0.1492","0.1073","","","0.2555","0.2846","","","","","","0.98","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235920","7.622","0.002","12.871","0.004","16.928","0.005","93.831","0.003","100.158","0.003","93.456","0.003","1626.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 4-benzyloxy-7-methoxy-1-methyl-1<i>H</i>-indole-2-carboxylate","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","LX2234","Wang, Peng; Xing, Hualu; Liu, Yang; Xie, Wencheng; Zhao, Guisen","Methyl 4-benzyloxy-7-methoxy-1-methyl-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section E","2012","68","8","o2480","","10.1107/S1600536812031236","","","0.71069","MoKα","","0.0652","0.0441","","","0.1195","0.1339","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235921","14.8492","0.0008","10.2284","0.0005","10.1314","0.0006","90","","107.131","0.006","90","","1470.52","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dibenzylimidazolidine-2-thione","","- C17 H18 N2 S -","- C17 H18 N2 S -","- C68 H72 N8 S4 -","4","1","LX2257","Mietlarek-Kropidłowska, Anna; Chojnacki, Jaroslaw; Becker, Barbara","1,3-Dibenzylimidazolidine-2-thione","Acta Crystallographica Section E","2012","68","8","o2521","","10.1107/S1600536812032655","","","0.71073","MoKα","","0.0521","0.0368","","","0.0869","0.0915","","","","","","0.941","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235922","6.7946","0.0005","24.753","0.002","7.5277","0.0007","90","","114.433","0.001","90","","1152.68","0.17","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1-Methyl-1<i>H</i>-imidazol-3-ium-2-yl)(phenyl)phosphinate monohydrate","","- C10 H13 N2 O3 P -","- C10 H13 N2 O3 P -","- C40 H52 N8 O12 P4 -","4","1","MW2070","Sun, Yong-Ming; Yang, Meng; Zhao, Chang-Qiu","(1-Methyl-1<i>H</i>-imidazol-3-ium-2-yl)(phenyl)phosphinate monohydrate","Acta Crystallographica Section E","2012","68","8","o2330","","10.1107/S1600536812028255","","","0.71073","MoKα","","0.1024","0.054","","","0.1286","0.1537","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235923","12.4362","0.0007","13.8189","0.0008","7.2376","0.0004","90","","105.784","0.006","90","","1196.92","0.12","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluoro-4-hydroxybenzyl)isoindoline-1,3-dione","","- C15 H10 F N O3 -","- C15 H10 F N O3 -","- C60 H40 F4 N4 O12 -","4","1","MW2073","Vesek, Hilal; Kazak, Canan; Alaman Ağar, Ayşen; Gümüş, Sümeyye; Aygün, Muhittin","2-(2-Fluoro-4-hydroxybenzyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2012","68","8","o2478","","10.1107/S1600536812029923","","","0.71073","MoKα","","0.1083","0.0568","","","0.1172","0.1414","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235924","7.595","0.0015","12.822","0.003","17.34","0.004","90","","90","","90","","1688.6","0.6","295","2","295","2","","","","","","","","4","P b c m","-P 2c 2b","57","","4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","0.5","MW2074","Xu, Wei; Qi, Jin-Li","4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate","Acta Crystallographica Section E","2012","68","8","o2319","","10.1107/S1600536812029339","","","0.71073","MoKα","","0.0616","0.0416","","","0.1022","0.1182","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235925","7.9225","0.0006","10.1226","0.0008","10.3927","0.0007","103.2","0.006","103.304","0.006","109.462","0.007","721.25","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-[1-(1-Oxoindan-2-yl)ethyl]indan-1-one","","- C20 H18 O2 -","- C20 H18 O2 -","- C40 H36 O4 -","2","1","MW2075","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[1-(1-Oxoindan-2-yl)ethyl]indan-1-one","Acta Crystallographica Section E","2012","68","8","o2314","","10.1107/S1600536812029315","","","0.71073","MoKα","","0.0607","0.0476","","","0.1202","0.1297","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235926","21.828","0.002","7.062","0.0009","11.3229","0.0013","90","","96.515","0.01","90","","1734.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[5-(pyridin-4-yl)tetrazolido <i>N</i>^5^-oxide-κ<i>N</i>^2^]manganese(II)","","- C12 H16 Mn N10 O6 -","- C12 H16 Mn N10 O6 -","- C48 H64 Mn4 N40 O24 -","4","0.5","NC2281","Jing, Xiang; Luo, Ya","Tetraaquabis[5-(pyridin-4-yl)tetrazolido <i>N</i>^5^-oxide-κ<i>N</i>^2^]manganese(II)","Acta Crystallographica Section E","2012","68","8","m1130","","10.1107/S1600536812032618","","","0.71073","MoKα","","0.058","0.0366","","","0.0701","0.0798","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235927","5.7065","0.0002","9.0632","0.0003","10.7109","0.0004","71.309","0.001","76.318","0.001","86.42","0.001","509.8","0.03","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-Ethyl-2-[(<i>E</i>)-3-(hydroxyimino)butan-2- ylidene]hydrazinecarbothioamide","","- C7 H14 N4 O S -","- C7 H14 N4 O S -","- C14 H28 N8 O2 S2 -","2","1","NG5276","Abduelftah, Halema Shaban; Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun","(<i>E</i>)-<i>N</i>-Ethyl-2-[(<i>E</i>)-3-(hydroxyimino)butan-2-ylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","8","o2552","","10.1107/S1600536812028632","","","0.71073","MoKα","","0.0361","0.0317","","","0.0895","0.0933","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235928","11.6191","0.0006","15.1164","0.0008","13.4526","0.0007","90","","105.387","0.001","90","","2278.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(nitrato-κ<i>O</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C24 H16 Mn N6 O6 -","- C24 H16 Mn N6 O6 -","- C96 H64 Mn4 N24 O24 -","4","0.5","NG5277","Saphu, Watcharin; Chanthee, Songwuit; Chainok, Kittipong; Harding, David J.; Pakawatchai, Chaveng","<i>trans</i>-Bis(nitrato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section E","2012","68","8","m1026","","10.1107/S1600536812029364","","","0.71073","MoKα","","0.054","0.0445","","","0.0967","0.1011","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235929","10.9026","0.0004","17.8127","0.0006","8.4221","0.0002","90","","109.561","0.004","90","","1541.21","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Benzyloxy-2,5-bis(chloromethyl)-4-methoxybenzene","1-Benzyloxy-2,5-bis(chloromethyl)-4-methoxybenzene","","- C16 H16 Cl2 O2 -","- C16 H16 Cl2 O2 -","- C64 H64 Cl8 O8 -","4","1","NG5278","Trad, Hager; Majdoub, Mustapha; Belkhiria, Mohamed Salah","1-Benzyloxy-2,5-bis(chloromethyl)-4-methoxybenzene","Acta Crystallographica Section E","2012","68","8","o2339","","10.1107/S1600536812029558","","","0.71073","MoKα","","0.1401","0.0492","","","0.1296","0.166","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235930","6.8274","0.0009","15.5666","0.0012","9.9045","0.001","90","","113.202","0.003","90","","967.51","0.18","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Nitro-2-(2-nitroprop-1-enyl)benzene","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C36 H32 N8 O16 -","4","1","NG5280","Shen, Li-Li; Li, Zhao-Bo; Li, Jia-Jia","(<i>E</i>)-1-Nitro-2-(2-nitroprop-1-enyl)benzene","Acta Crystallographica Section E","2012","68","8","o2359","","10.1107/S1600536812029947","","","0.71073","MoKα","","0.0788","0.0589","","","0.1222","0.135","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235931","6.9593","0.0005","10.756","0.0008","20.8431","0.0014","90","","90","","90","","1560.19","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methyl-2-(2-nitrobenzenesulfonamido)pentanoic acid","","- C12 H16 N2 O6 S -","- C12 H16 N2 O6 S -","- C48 H64 N8 O24 S4 -","4","1","NG5283","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Khalid, Savera; Asiri, Abdullah M.","4-Methyl-2-(2-nitrobenzenesulfonamido)pentanoic acid","Acta Crystallographica Section E","2012","68","8","o2573","","10.1107/S1600536812033260","","","0.71073","MoKα","","0.0667","0.0428","","","0.0828","0.0897","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235932","7.2372","0.0002","8.3977","0.0003","15.7467","0.0006","101.227","0.002","98.427","0.002","103.768","0.001","892.85","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-[(2<i>Z</i>,4<i>Z</i>)-4-Benzylidene-6-chloro-1,4- dihydropyrido[2,3-<i>d</i>][1,3]thiazin-2-ylidene]benzamide","","- C21 H14 Cl N3 O S -","- C21 H14 Cl N3 O S -","- C42 H28 Cl2 N6 O2 S2 -","2","1","NK2159","Fernandes, Manuel A.; Levendis, Demetrius C.; Reid, David H.","<i>N</i>-[(2<i>Z</i>,4<i>Z</i>)-4-Benzylidene-6-chloro-1,4-dihydropyrido[2,3-<i>d</i>][1,3]thiazin-2-ylidene]benzamide","Acta Crystallographica Section E","2012","68","8","o2346","","10.1107/S1600536812029741","","","0.71073","MoKα","","","0.0279","","","","0.0768","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235933","11.923","0.002","10.992","0.002","18.275","0.004","90","","100.11","0.03","90","","2357.9","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-formylbenzoato- κ<i>O</i>^1^)copper(II)","","- C26 H18 Cu N2 O6 -","- C26 H18 Cu N2 O6 -","- C104 H72 Cu4 N8 O24 -","4","0.5","NK2165","Qi, Jin-li; Xu, Wei","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-formylbenzoato-κ<i>O</i>^1^)copper(II)","Acta Crystallographica Section E","2012","68","8","m1062","m1063","10.1107/S1600536812031066","","","0.71073","MoKα","","0.101","0.0582","","","0.1243","0.1462","","","","","","1.226","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235934","15.182","0.003","13.803","0.003","12.159","0.002","90","","120.06","0.03","90","","2205.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2,4-Difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate","","- C11 H9 F2 N2 O2.5 -","- C11 H9 F2 N2 O2.5 -","- C88 H72 F16 N16 O20 -","8","1","NK2167","Yu, Jian-Guang; Zhu, Hai-Xi; Qiu, Jiang-Kai; Wang, De-Cai; Xu, Hong","<i>N</i>-(2,4-Difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate","Acta Crystallographica Section E","2012","68","8","o2325","","10.1107/S1600536812029431","","","0.71073","MoKα","","0.0686","0.0495","","","0.1167","0.1299","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235935","13.555","0.005","11.711","0.005","14.213","0.005","90","","93.427","0.005","90","","2252.2","1.5","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","gallic acid-4,4'-<i>trans</i>-azo-dipyridine methanol solvate","1,2-Bis(pyridin-4-yl)diazene‒3,4,5-trihydroxybenzoic acid‒methanol (3/2/2)","","- C46 H44 N12 O12 -","- C46 H44 N12 O12 -","- C92 H88 N24 O24 -","2","0.5","NK2169","Rusu, Elena; Shova, Sergiu; Rusu, Gheorghe","1,2-Bis(pyridin-4-yl)diazene‒3,4,5-trihydroxybenzoic acid‒methanol (3/2/2)","Acta Crystallographica Section E","2012","68","8","o2436","","10.1107/S1600536812031029","","","0.7107","MoKα","","0.0859","0.0549","","","0.1103","0.1243","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235936","5.9026","0.0007","14.2199","0.0016","14.6772","0.0017","69.654","0.002","84.231","0.002","81.28","0.002","1140.2","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-3-(4-Methylphenyl)-1-(pyridin-3-yl)prop-2-en-1-one","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","2","NK2177","de Sousa Oliveiria, Mauricio; Costa de Souza, Wanderson; Napolitano, Hamilton B.; Oliver, Allen G.","(2<i>E</i>)-3-(4-Methylphenyl)-1-(pyridin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","8","o2585","","10.1107/S1600536812032746","","","0.71073","MoKα","","0.0586","0.0409","","","0.0951","0.1046","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235937","12.1774","0.0003","9.7928","0.0003","13.4921","0.0004","90","","115.476","0.0012","90","","1452.49","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-nitrobenzoate","","- C13 H16 B N O6 -","- C13 H16 B N O6 -","- C52 H64 B4 N4 O24 -","4","1","PK2392","Jenkinson, S. F.; Thompson, A. L.; Simone, M. I.","Methyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-nitrobenzoate","Acta Crystallographica Section E","2012","68","8","o2429","o2430","10.1107/S1600536812029650","","","0.71073","MoKα","","0.077","0.0444","","0.1136","0.0998","0.1136","","","","","","0.9189","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235938","7.828","0.002","14.198","0.004","19.846","0.005","90","","97.212","0.004","90","","2188.3","1","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Di-μ-aqua-bis[diaquabis(thiocyanato-κ<i>N</i>)iron(II)]‒ 1,4-bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene (1/3)","","- C34 H36 Fe2 N22 O6 S4 -","- C34 H36 Fe2 N22 O6 S4 -","- C68 H72 Fe4 N44 O12 S8 -","2","0.5","PK2413","Liu, Yuan-Yuan; Yang, Pan; Ding, Bin","The monoclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κ<i>N</i>)iron(II)]‒1,4-bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene (1/3)","Acta Crystallographica Section E","2012","68","8","m1036","m1037","10.1107/S160053681202613X","","","0.71073","MoKα","","0.0711","0.0498","","","0.1182","0.1322","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235939","7.9733","0.001","20.738","0.003","8.2987","0.0011","90","","91.35","0.002","90","","1371.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Aqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)- κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^3'^,<i>O</i>^4'^](pyridine- κ<i>N</i>)cobalt(II)‒4,4'-bipyridine (1/1)","","- C28 H24 Co N7 O9 -","- C28 H24 Co N7 O9 -","- C56 H48 Co2 N14 O18 -","2","0.5","PK2422","Liu, Wei; Li, Xia","Aqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^3'^,<i>O</i>^4'^](pyridine-κ<i>N</i>)cobalt(II)‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2012","68","8","m1109","m1110","10.1107/S1600536812029856","","","0.71073","MoKα","","0.0617","0.0426","","","0.0958","0.1053","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235940","7.8524","0.0016","15.345","0.003","18.778","0.004","90","","99.72","0.03","90","","2230.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(1,10-phenanthroline)cobalt]-μ-2,4'-oxydibenzoato]","","- C26 H16 Co N2 O5 -","- C26 H16 Co N2 O5 -","- C104 H64 Co4 N8 O20 -","4","1","PK2423","Guo, Hai-Kang; Fu, Feng; Tang, Long; Hou, Xiang-Yang; Cao, Jia","<i>catena</i>-Poly[[(1,10-phenanthroline)cobalt]-μ-2,4'-oxydibenzoato]","Acta Crystallographica Section E","2012","68","8","m1078","","10.1107/S1600536812031534","","","0.71073","MoKα","","0.1098","0.0727","","","0.1248","0.1405","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235941","5.885","0.0012","21.955","0.004","10.307","0.002","90","","104.5","0.03","90","","1289.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[4-Chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide","","- C12 H13 Cl F3 N O -","- C12 H13 Cl F3 N O -","- C48 H52 Cl4 F12 N4 O4 -","4","1","PK2427","Zhou, Yu; Ren, Lili; Lu, Yongyu; Zhang, Feng; Chen, Guoguang","<i>N</i>-[4-Chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide","Acta Crystallographica Section E","2012","68","8","o2534","","10.1107/S1600536812031650","","","0.71073","MoKα","","0.1053","0.0613","","","0.1567","0.1919","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235942","9.7309","0.0008","14.0994","0.0011","14.6","0.0011","90","","90","","90","","2003.1","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diaqua[(1<i>R</i>,2<i>S</i>,4<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,9- dimethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) dichloride dihydrate","","- C12 H36 Cl2 N4 Ni O4 -","- C12 H36 Cl2 N4 Ni O4 -","- C48 H144 Cl8 N16 Ni4 O16 -","4","1","PK2429","Townsend, James Alan; Desper, John","Diaqua[(1<i>R</i>,2<i>S</i>,4<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,9-dimethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2012","68","8","m1111","m1112","10.1107/S160053681203276X","","","0.71073","MoKα","","0.0393","0.0331","","","0.079","0.0831","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235943","44.115","0.006","7.971","0.0009","15.035","0.004","90","","99.439","0.016","90","","5215.3","1.7","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,8-Bis(4-acetoxybenzoyl)-2,7-dimethoxynaphthalene","4-{[8-(4-Acetyloxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]carbonyl}phenyl acetate","","- C30 H24 O8 -","- C30 H24 O8 -","- C240 H192 O64 -","8","1","PK2431","Sasagawa, Kosuke; Hijikata, Daichi; Kusakabe, Taro; Okamoto, Akiko; Yonezawa, Noriyuki","4-{[8-(4-Acetyloxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]carbonyl}phenyl acetate","Acta Crystallographica Section E","2012","68","8","o2503","","10.1107/S160053681203228X","","","1.54178","CuKα","","0.0593","0.0407","","","0.0994","0.1269","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235944","7.2772","0.0002","11.0972","0.0003","16.5625","0.0005","90","","100.698","0.002","90","","1314.28","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Fluoro-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C15 H10 F2 O3 S -","- C14.994 H10 F2 O3 S -","- C59.976 H40 F8 O12 S4 -","4","1","PK2432","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","8","o2477","","10.1107/S1600536812031972","","","0.71073","MoKα","","0.0457","0.0373","","","0.0988","0.1043","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235945","6.5692","0.0003","11.4323","0.0004","17.5552","0.0009","90","","97.798","0.004","90","","1306.22","0.1","120","0.14","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[(4-Bromophenyl)iminomethyl]-2-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","PK2433","Fejfarová, Karla; Dušek, Michal; Maghsodlou Rad, Sepideh; Khalaji, Aliakbar Dehno","(<i>E</i>)-4-[(4-Bromophenyl)iminomethyl]-2-methoxyphenol","Acta Crystallographica Section E","2012","68","8","o2466","","10.1107/S1600536812031704","","","1.5418","CuKα","","0.0339","0.0279","","","0.0644","0.0667","","","","","","1.65","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235946","16.774","0.003","9.613","0.0019","13.253","0.003","90","","107.05","0.03","90","","2043.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-[4-(Diphenylamino)phenyl]quinoline 1-oxide","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","1","PV2553","Wang, Li-Zhi; Chi, Yun; Li, Xiang-Xiang; Guan, Jian-Ning","6-[4-(Diphenylamino)phenyl]quinoline 1-oxide","Acta Crystallographica Section E","2012","68","8","o2543","","10.1107/S1600536812031662","","","0.71073","MoKα","","0.1026","0.0581","","","0.1359","0.1555","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235947","7.4004","0.0003","22.4857","0.0009","13.4465","0.0005","90","","90","","90","","2237.54","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine","","- C27 H29 F N2 O -","- C27 H29 F N2 O -","- C108 H116 F4 N8 O4 -","4","1","PV2563","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine","Acta Crystallographica Section E","2012","68","8","o2312","o2313","10.1107/S1600536812029327","","","0.71073","MoKα","","0.0546","0.0414","","","0.0907","0.1009","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235948","7.7351","0.001","9.5372","0.0013","18.501","0.002","90","","96.052","0.003","90","","1357.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromido{2-[(4-fluorophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}zinc","","- C12 H9 Br2 F N2 Zn -","- C12 H9 Br2 F N2 Zn -","- C48 H36 Br8 F4 N8 Zn4 -","4","1","PV2564","Dehghanpour, Saeed; Mahmoudi, Ali","Dibromido{2-[(4-fluorophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}zinc","Acta Crystallographica Section E","2012","68","8","m1113","","10.1107/S1600536812031091","","","0.71073","MoKα","","0.0411","0.0297","","","0.0671","0.0716","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235949","8.588","0.005","20.446","0.005","8.851","0.005","90","0.005","93.282","0.005","90","0.005","1551.6","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 7'-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-<i>d</i>][1,3]dioxol- 5-yl)-2-oxo-5',6',7',7a'-tetrahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene- 1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-6'-carboxylate","","- C34 H35 N O7 S -","- C34 H35 N O7 S -","- C68 H70 N2 O14 S2 -","2","1","PV2565","Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.","Ethyl 7'-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-2-oxo-5',6',7',7a'-tetrahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-6'-carboxylate","Acta Crystallographica Section E","2012","68","8","o2505","o2506","10.1107/S1600536812032291","","","0.71073","MoKα","","0.0465","0.0367","","","0.0783","0.0834","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235950","6.7514","0.0005","8.7139","0.0006","11.8309","0.0009","97.221","0.004","102.82","0.004","112.482","0.003","609.73","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>- 1-benzothieno[2,3-<i>d</i>]pyrimidin-3-amine","","- C12 H16 N4 S -","- C12 H16.001 N4 S -","- C24 H32.002 N8 S2 -","2","1","PV2567","Kalashetti, Mallikarjun B.; Fathima, Nikhath; Khan, Ashraf Y.; Begum, Noor Shahina; Khazi, I. M.","4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-1-benzothieno[2,3-<i>d</i>]pyrimidin-3-amine","Acta Crystallographica Section E","2012","68","8","o2468","","10.1107/S1600536812031893","","","0.71073","MoKα","","0.0423","0.0382","","","0.1088","0.1124","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235951","6.8638","0.0016","11.566","0.003","15.4","0.003","88.98","0.003","87.517","0.002","76.302","0.002","1186.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Anilinium 3,4-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","2","PV2568","Zhu, Si-Ming","Anilinium 3,4-dihydroxybenzoate","Acta Crystallographica Section E","2012","68","8","o2597","","10.1107/S1600536812032758","","","0.71073","MoKα","","0.0504","0.0389","","","0.1003","0.1087","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235952","8.211","0.0003","9.5965","0.0003","12.0886","0.0005","86.281","0.002","81.514","0.002","81.705","0.002","931.33","0.06","90","0.5","90","0.5","101.3","","","","","","","3","P -1","-P 1","2","","Tetramethyl anthracene-2,3,6,7-tetracarboxylate‒ tetramethyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylate (1/1)","","- C44 H34 O18 -","- C44 H34 O18 -","- C44 H34 O18 -","1","0.5","PV2569","Drake, Brenton L.; Morris, J. Larry; McLaughlin, Mark L.; Fronczek, Frank R.; Watkins, Steven F.","Tetramethyl anthracene-2,3,6,7-tetracarboxylate‒tetramethyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylate (1/1)","Acta Crystallographica Section E","2012","68","8","o2540","o2541","10.1107/S1600536812032424","","","0.71073","MoKα","","","0.0519","","","","0.1538","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235953","7.0747","0.001","43.511","0.006","7.5477","0.0009","90","","110.015","0.005","90","","2183.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-Dioxoisoindolin-2-yl)acetic acid‒<i>N</i>'-[(<i>E</i>)-2-methoxybenzylidene]pyridine-4-carbohydrazide (1/1)","","- C24 H20 N4 O6 -","- C24 H20 N4 O6 -","- C96 H80 N16 O24 -","4","1","QM2075","Mohamed, Shaaban K.; Farrukh, Muhammad Akhyar; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A.","2-(1,3-Dioxoisoindolin-2-yl)acetic acid‒<i>N</i>'-[(<i>E</i>)-2-methoxybenzylidene]pyridine-4-carbohydrazide (1/1)","Acta Crystallographica Section E","2012","68","8","o2442","","10.1107/S1600536812031388","","","0.71073","MoKα","","0.119","0.0552","","","0.1107","0.1352","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235954","27.4331","0.0015","7.4519","0.0005","9.2598","0.0006","90","","90","","90","","1893","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3- <i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>-(2-fluorobenzyl)acetamide","","- C20 H19 F N4 O3 S -","- C20 H19 F N4 O3 S -","- C80 H76 F4 N16 O12 S4 -","4","1","QM2076","Ahmad, Matloob; Siddiqui, Hamid Latif; Ahmad, Naveed; Aslam, Sana; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>-(2-fluorobenzyl)acetamide","Acta Crystallographica Section E","2012","68","8","o2470","o2471","10.1107/S160053681203187X","","","1.54178","CuKα","","0.0585","0.049","","","0.133","0.1461","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235955","9.371","0.003","11.991","0.004","17.653","0.006","94.91","0.011","90.224","0.01","102.128","0.011","1931.7","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-Aminobenzoic acid‒4,4'-bipyridine (2/3)","","- C44 H38 N8 O4 -","- C44 H38 N8 O4 -","- C88 H76 N16 O8 -","2","1","QM2077","Lhengwan, Pornsuda; Achiwawanich, Supakit; Duangthongyou, Tanwawan","3-Aminobenzoic acid‒4,4'-bipyridine (2/3)","Acta Crystallographica Section E","2012","68","8","o2569","","10.1107/S1600536812033181","","","0.71073","MoKα","","0.1123","0.0705","","","0.2173","0.2518","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235956","25.366","0.008","5.8326","0.0014","19.008","0.006","90","","124.136","0.004","90","","2327.7","1.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetraaquabis(μ~4~-thiophene-2,5-dicarboxylato)(μ~2~- thiophene-2,5-dicarboxylato)dieuropium(III)]","","- C18 H14 Eu2 O16 S3 -","- C18 H14 Eu2 O16 S3 -","- C72 H56 Eu8 O64 S12 -","4","0.5","RK2364","Du, Xi-Gang; Zhang, Jun; Li, Jia-Jia","Poly[tetraaquabis(μ~4~-thiophene-2,5-dicarboxylato)(μ~2~-thiophene-2,5-dicarboxylato)dieuropium(III)]","Acta Crystallographica Section E","2012","68","8","m1024","","10.1107/S1600536812029546","","","0.71073","MoKα","","0.0539","0.0353","","","0.083","0.0904","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235957","12.685","0.0007","8.6643","0.0005","28.4015","0.0016","90","","97.686","0.001","90","","3093.5","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(μ~5~-1<i>H</i>-imidazole-4,5-dicarboxylato)(μ~4~-1<i>H</i>- imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]","","- C10 H6 Ag3 N4 O10 Yb -","- C10 H6 Ag3 N4 O10 Yb -","- C80 H48 Ag24 N32 O80 Yb8 -","8","1","RK2366","Zhu, Si-Ming","Poly[diaqua(μ~5~-1<i>H</i>-imidazole-4,5-dicarboxylato)(μ~4~-1<i>H</i>-imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]","Acta Crystallographica Section E","2012","68","8","m1073","m1074","10.1107/S1600536812031303","","","0.71073","MoKα","","0.0256","0.0235","","","0.0537","0.0546","","","","","","1.185","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235958","8.008","0.001","8.211","0.001","10.037","0.001","89.39","0.01","77.65","0.01","64.71","0.01","580.47","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(2,6-dimethylphenyl)thiourea","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C22 H28 N4 O2 S2 -","2","1","RK2369","Kumar, Sharatha; Foro, Sabine; Gowda, B. Thimme","3-Acetyl-1-(2,6-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2306","","10.1107/S1600536812029248","","","0.71073","MoKα","","0.0565","0.041","","","0.1041","0.1149","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235959","9.6634","0.0006","26.3883","0.0018","11.4375","0.0008","90","","99.614","0.001","90","","2875.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(24-acetyl-28-oxo-8,11,14-trioxa-24,27- diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa- 2,4,6,15(20),16,18-hexaen-27-yl)but-2-enedioate","","- C31 H34 N2 O9 -","- C31 H34 N2 O9 -","- C124 H136 N8 O36 -","4","1","RK2370","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.","Dimethyl 2-[24-acetyl-28-oxo-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaen-27-yl]but-2-enedioate","Acta Crystallographica Section E","2012","68","8","o2431","o2432","10.1107/S1600536812030644","","","0.71073","MoKα","","0.0696","0.0451","","","0.0989","0.1107","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235960","7.6841","0.0009","14.943","0.001","9.5358","0.0009","90","","107.49","0.01","90","","1044.31","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-1-(3-methylphenyl)thiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","RK2375","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(3-methylphenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2574","","10.1107/S1600536812032825","","","0.71073","MoKα","","0.043","0.0351","","","0.0954","0.0995","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235961","3.709","0.0007","15.68","0.003","9.6054","0.0018","90","","99.748","0.003","90","","550.56","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene dihydrate","","- C10 H12 N6 O2 -","- C10 H12 N6 O2 -","- C20 H24 N12 O4 -","2","0.5","RN2105","Wang, Xiu-Guang; Li, Jian-Hui; Ding, Bin; Du, Gui-Xiang","1,4-Bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene dihydrate","Acta Crystallographica Section E","2012","68","8","o2394","","10.1107/S1600536812029273","","","0.71073","MoKα","","0.0623","0.0551","","","0.1252","0.1288","","","","","","1.181","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235962","5.653","0.0008","5.653","0.0008","12.156","0.004","90","","90","","120","","336.42","0.13","293","","293","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Boron carbide","","- C1.99 B12.88 -","- C1.992 B12.878 -","- C5.976 B38.634 -","3","0.0833333","RU2039","Sologub, Oksana; Michiue, Yuichi; Mori, Takao","Boron carbide, B~13-<i>x~</i>C~2-<i>y~</i> (<i>x</i> = 0.12, <i>y</i> = 0.01)","Acta Crystallographica Section E","2012","68","8","i67","","10.1107/S1600536812033132","","","0.71073","MoKα","","","0.0455","","","","0.1087","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235963","14.546","0.0003","4.9289","0.0001","18.3516","0.0003","90","","120.307","0.001","90","","1135.92","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Methylamino-1,3-thiazol-4-yl)-2<i>H</i>-chromen-2-one","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","RZ2775","Yusufzai, Samina Khan; Osman, Hasnah; Rahim, Aisyah Saad Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","3-(2-Methylamino-1,3-thiazol-4-yl)-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2012","68","8","o2416","o2417","10.1107/S1600536812030140","","","0.71073","MoKα","","0.0402","0.0337","","","0.0892","0.0948","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235964","6.8501","0.0009","25.594","0.004","15.284","0.002","90","","99.315","0.005","90","","2644.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-1,3-dimethyl-5-[(<i>E</i>)-2- (methylsulfanyl)benzylideneamino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒ 1,3,7,9-tetramethylpyrimido[5,4-<i>g</i>]pteridine-2,4,6,8-tetrone (1/1)","","- C26 H28 N10 O6 S -","- C26 H28 N10 O6 S -","- C104 H112 N40 O24 S4 -","4","1","RZ2778","Booysen, Irvin N.; Ismail, Muhammed B.; Akerman, Matthew P.","6-Amino-1,3-dimethyl-5-[(<i>E</i>)-2-(methylsulfanyl)benzylideneamino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒1,3,7,9-tetramethylpyrimido[5,4-<i>g</i>]pteridine-2,4,6,8-tetrone (1/1)","Acta Crystallographica Section E","2012","68","8","o2334","o2335","10.1107/S1600536812029716","","","0.71073","MoKα","","0.0932","0.0595","","","0.1496","0.1708","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235965","9.8472","0.0008","9.9039","0.0008","11.7974","0.0009","88.49","0.002","67.006","0.002","60.764","0.002","904.64","0.13","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2-[3-(1,3-Benzothiazol-2-yl)-2,2-dimethylpropyl]-2-methyl-2,3-dihydro- 1,3-benzothiazole","","- C20 H22 N2 S2 -","- C20 H22 N2 S2 -","- C40 H44 N4 S4 -","2","1","RZ2780","Yousuf, Sammer; Siddiqui, Hina; Farooq, Rabia; Choudhary, M. Iqbal","2-[3-(1,3-Benzothiazol-2-yl)-2,2-dimethylpropyl]-2-methyl-2,3-dihydro-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","8","o2349","","10.1107/S1600536812029297","","","0.71073","MoKα","","0.0563","0.0419","","","0.1015","0.1127","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235966","6.7977","0.0005","9.4406","0.0007","12.2691","0.0009","93.846","0.003","96.883","0.003","93.49","0.003","778.04","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4,5-Dihydro-1<i>H</i>-benzo[<i>g</i>]indazol-3-yl)pyridinium chloride dihydrate","","- C16 H18 Cl N3 O2 -","- C16 H18 Cl N3 O2 -","- C32 H36 Cl2 N6 O4 -","2","1","RZ2781","Yang, Luan-Fang; Hou, Hong-Bo; Liu, Yi-Ming","4-(4,5-Dihydro-1<i>H</i>-benzo[<i>g</i>]indazol-3-yl)pyridinium chloride dihydrate","Acta Crystallographica Section E","2012","68","8","o2366","","10.1107/S160053681203019X","","","0.71073","MoKα","","0.0577","0.0451","","","0.1118","0.1191","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235967","7.5889","0.0005","10.367","0.0007","11.4241","0.0011","72.203","0.018","74.4","0.02","68.644","0.019","784.32","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Diiodido[methyl 2-(quinolin-8-yloxy)acetate-κ<i>N</i>]mercury(II)","","- C12 H11 Hg I2 N O3 -","- C12 H11 Hg I2 N O3 -","- C24 H22 Hg2 I4 N2 O6 -","2","1","RZ2782","Wang, Yu-Hong; Zhong, Qin; Song, Rui-Feng","Diiodido[methyl 2-(quinolin-8-yloxy)acetate-κ<i>N</i>]mercury(II)","Acta Crystallographica Section E","2012","68","8","m1057","","10.1107/S1600536812031017","","","0.71075","MoKα","","0.0541","0.045","","","0.0952","0.1041","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235968","18.008","0.0003","12.4307","0.0002","25.3332","0.0004","90","","90","","90","","5670.89","0.16","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate","","- C38 H24 O6 -","- C38 H24 O6 -","- C304 H192 O48 -","8","1","RZ2784","Sakamoto, Rei; Sasagawa, Kosuke; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki","1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate","Acta Crystallographica Section E","2012","68","8","o2454","","10.1107/S1600536812030991","","","1.54187","CuKα","","0.0356","0.0324","","","0.082","0.0842","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235969","8.3472","0.0005","11.2211","0.0007","13.4104","0.0009","90","","90","","90","","1256.08","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-{[(1<i>S</i>,2<i>R</i>)-2-Hydroxyindan-1-yl]amino}pent-3-en-2-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","RZ2785","Park, Ka Hyun; Go, Min Jeong; Lee, Hwi Hyun; Kim, Sungae; Lee, Junseong","4-{[(1<i>S</i>,2<i>R</i>)-2-Hydroxyindan-1-yl]amino}pent-3-en-2-one","Acta Crystallographica Section E","2012","68","8","o2455","","10.1107/S1600536812031169","","","0.71073","MoKα","","0.0617","0.039","","","0.0851","0.0945","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235970","28.312","0.003","7.2952","0.0007","13.0626","0.0013","90","","103.151","0.002","90","","2627.2","0.5","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine","","- C15 H12 F N3 S -","- C15 H12 F N3 S -","- C120 H96 F8 N24 S8 -","8","2","RZ2786","Fun, Hoong-Kun; Quah, Ching Kheng; Munirajasekhar, D.; Himaja, M.; Sarojini, B. K.","1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine","Acta Crystallographica Section E","2012","68","8","o2438","o2439","10.1107/S1600536812030851","","","0.71073","MoKα","","0.0356","0.0331","","","0.0784","0.0802","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235971","24.691","0.007","6.7678","0.0017","17.884","0.005","90","","97.184","0.005","90","","2965","1.4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1<i>H</i>-pyrazole-5-carboxylate","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C120 H136 Br8 N16 O24 -","8","1","RZ2789","Yin, Ling; Wang, Yi; Wang, Ying-Ying; Wang, Jian-Wu","Ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2012","68","8","o2513","","10.1107/S1600536812032370","","","0.71073","MoKα","","0.0352","0.026","","","0.0596","0.062","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235972","11.9043","0.0013","5.2969","0.0006","16.4579","0.0018","90","","90.397","0.003","90","","1037.7","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","","- C11 H9 F N2 O S -","- C11 H9 F N2 O S -","- C44 H36 F4 N8 O4 S4 -","4","1","RZ2790","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(2-Fluorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2012","68","8","o2565","","10.1107/S1600536812032989","","","0.71073","MoKα","","0.0447","0.0339","","","0.0837","0.0901","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235973","4.912","0.0005","6.3131","0.0006","42.517","0.004","90","","90","","90","","1318.4","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","2-(4-Bromophenyl)-<i>N</i>-(3-chloro-4-fluorophenyl)acetamide","","- C14 H10 Br Cl F N O -","- C14 H10 Br Cl F N O -","- C56 H40 Br4 Cl4 F4 N4 O4 -","4","1","RZ2791","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(3-chloro-4-fluorophenyl)acetamide","Acta Crystallographica Section E","2012","68","8","o2558","","10.1107/S1600536812032977","","","0.71073","MoKα","","0.0599","0.0544","","","0.1184","0.1201","","","","","","1.149","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235974","8.5603","0.0012","11.0699","0.0015","37.346","0.005","90","","90","","90","","3539","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine- κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II)]- μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","","- C13 H16 Mn N6 S3 -","- C13 H16 Mn N6 S3 -","- C104 H128 Mn8 N48 S24 -","8","1","RZ2792","Wang, Jun; Zhu, Wubiao; Li, Jichang","<i>catena</i>-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","8","m1131","","10.1107/S1600536812032874","","","0.71073","MoKα","","0.0771","0.043","","","0.0853","0.098","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235975","10.2147","0.0002","17.8203","0.0004","9.573","0.0002","90","","114.019","0.001","90","","1591.68","0.06","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-2,2-diphenylacetamide","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C80 H64 Cl4 N4 O4 -","4","1","RZ2793","Fun, Hoong-Kun; Loh, Wan-Sin; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(4-Chlorophenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2012","68","8","o2556","o2557","10.1107/S1600536812032965","","","0.71073","MoKα","","0.0539","0.0439","","","0.0978","0.1031","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235976","7.129","0.0006","9.6101","0.0008","10.6999","0.0009","101.787","0.002","102.55","0.002","95.879","0.002","692.13","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethan-1-one","","- C15 H14 O4 S -","- C15 H14 O4 S -","- C30 H28 O8 S2 -","2","1","RZ2794","Yousuf, Sammer; Iqbal, Sarosh; Ambreen, Nida; Khan, Khalid M.","1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethan-1-one","Acta Crystallographica Section E","2012","68","8","o2562","","10.1107/S1600536812032795","","","0.71073","MoKα","","0.0531","0.0433","","","0.1013","0.1075","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235977","7.647","0.003","8.145","0.003","15.583","0.006","90","","90","","90","","970.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxycarbonyl-6-nitrobenzoic acid","","- C9 H7 N O6 -","- C9 H7 N O6 -","- C36 H28 N4 O24 -","4","1","SJ5245","Lu, Zai-Sheng; Zhu, Guong-Zhou; Lu, Han; Wang, Xiang-Shan","2-Methoxycarbonyl-6-nitrobenzoic acid","Acta Crystallographica Section E","2012","68","8","o2404","","10.1107/S1600536812030462","","","0.71073","MoKα","","0.0277","0.0268","","","0.0759","0.0773","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235978","21.144","0.002","8.2997","0.0008","28.528","0.003","90","","93.029","0.001","90","","4999.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-ium picrate monohydrate","4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-ium 2,4,6-trinitrophenolate monohydrate","","- C23 H24 Cl N5 O8 -","- C23 H24 Cl N5 O8 -","- C184 H192 Cl8 N40 O64 -","8","1","SJ5246","Song, Yanxi; Chidan Kumar, C. S.; Chandraju, S.; Naveen, S.; Li, Hongqi","4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-ium picrate monohydrate","Acta Crystallographica Section E","2012","68","8","o2486","","10.1107/S1600536812031984","","","0.71073","MoKα","","0.0827","0.0573","","","0.1541","0.1753","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235979","7.729","0.001","8.047","0.001","10.015","0.001","88.05","0.01","76.39","0.01","66.57","0.01","554.24","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-Acetyl-1-(2,6-dichlorophenyl)thiourea","","- C9 H8 Cl2 N2 O S -","- C9 H8 Cl2 N2 O S -","- C18 H16 Cl4 N4 O2 S2 -","2","1","SJ5247","Kumar, Sharatha; Foro, Sabine; Gowda, B. Thimme","3-Acetyl-1-(2,6-dichlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2307","","10.1107/S160053681202925X","","","0.71073","MoKα","","0.0445","0.0366","","","0.0893","0.0947","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235980","8.5931","0.0009","8.7409","0.0014","11.0695","0.0019","72.626","0.004","70.088","0.003","80.035","0.006","743.71","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3- carbonitrile","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","SJ5250","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Albayati, Mustafa R.","2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2315","o2316","10.1107/S1600536812029480","","","0.71073","MoKα","","0.0773","0.0448","","","0.1039","0.1154","","","","","","0.913","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235981","30.505","0.002","7.8881","0.0004","16.5191","0.0012","90","","113.718","0.009","90","","3639.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Diphenyl-1-(quinolin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-5-ol","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","1","SJ5251","Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","3,5-Diphenyl-1-(quinolin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section E","2012","68","8","o2310","o2311","10.1107/S1600536812029340","","","0.71073","MoKα","","0.0608","0.0483","","","0.1213","0.13","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235982","7.715","0.0007","8.2058","0.0008","11.9722","0.0012","83.771","0.001","84.362","0.001","84.298","0.002","746.79","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","6,7-Dichloro-3-(2,4-dichlorobenzyl)quinoxalin-2(1<i>H</i>)-one","","- C15 H8 Cl4 N2 O -","- C15 H8 Cl4 N2 O -","- C30 H16 Cl8 N4 O2 -","2","1","SJ5253","Zhang, Jinpeng; Wang, Yinan; Wang, Qian; Xu, Lichun","6,7-Dichloro-3-(2,4-dichlorobenzyl)quinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2481","","10.1107/S160053681203098X","","","0.71073","MoKα","","0.1131","0.0547","","","0.091","0.1027","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235983","7.4931","0.0005","14.7345","0.001","13.5681","0.001","90","","95.56","0.001","90","","1490.97","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloro-1-(4-hydroxyphenyl)ethanone","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C64 H56 Cl8 O16 -","8","2","SJ5254","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","2-Chloro-1-(4-hydroxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","8","o2424","","10.1107/S1600536812030838","","","0.71073","MoKα","","0.028","0.0259","","","0.0716","0.0734","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235984","11.1287","0.0006","5.6641","0.0003","13.3419","0.0007","90","","108.552","0.001","90","","797.29","0.07","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(5-Chloro-6-fluoro-1,3-benzothiazol-2-yl)hydrazine","","- C7 H5 Cl F N3 S -","- C7 H5 Cl F N3 S -","- C28 H20 Cl4 F4 N12 S4 -","4","1","SJ5255","Fun, Hoong-Kun; Quah, Ching Kheng; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-(5-Chloro-6-fluoro-1,3-benzothiazol-2-yl)hydrazine","Acta Crystallographica Section E","2012","68","8","o2459","","10.1107/S160053681203156X","","","0.71073","MoKα","","0.0266","0.0236","","","0.0645","0.0663","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235985","6.9063","0.0004","8.7085","0.0004","11.7294","0.0006","94.864","0.003","98.013","0.003","106.579","0.002","663.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[Hydroxy(2-methoxyphenyl)methyl]acrylonitrile","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","SJ5256","Bakthadoss, M.; Selvakumar, R.; Madhanraj, R.; Murugavel, S.","2-[Hydroxy(2-methoxyphenyl)methyl]acrylonitrile","Acta Crystallographica Section E","2012","68","8","o2467","","10.1107/S1600536812031728","","","0.71073","MoKα","","0.0828","0.0603","","","0.1963","0.2147","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235986","9.6761","0.0006","10.4865","0.0007","14.3805","0.0014","98.779","0.004","98.641","0.004","109.681","0.003","1325.57","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[4-(4-Nitrophenoxy)phenyl]acetamide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","2","SJ5257","Nigar, Asifa; Akhter, Zareen; Tahir, M. Nawaz","<i>N</i>-[4-(4-Nitrophenoxy)phenyl]acetamide","Acta Crystallographica Section E","2012","68","8","o2485","","10.1107/S1600536812031856","","","0.71073","MoKα","","0.0591","0.0409","","","0.1055","0.1179","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235987","9.2477","0.0009","15.293","0.001","10.4671","0.0009","90","","108.66","0.01","90","","1402.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Chlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","SJ5261","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2575","","10.1107/S1600536812033107","","","0.71073","MoKα","","0.0576","0.043","","","0.0908","0.0981","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235988","11.064","0.003","9.437","0.002","13.277","0.004","90","","108.997","0.003","90","","1310.8","0.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{6-bromo-4-chloro-2-[(<i>E</i>)-(2- chlorophenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(II)","","- C26 H14 Br2 Cl4 Cu N2 O2 -","- C26 H14 Br2 Cl4 Cu N2 O2 -","- C52 H28 Br4 Cl8 Cu2 N4 O4 -","2","0.5","SU2417","Ping, Zhang","Bis{6-bromo-4-chloro-2-[(<i>E</i>)-(2-chlorophenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(II)","Acta Crystallographica Section E","2012","68","8","m1118","","10.1107/S1600536812025044","","","0.71073","MoKα","","0.0413","0.0282","","","0.0619","0.065","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235989","6.7235","0.001","17.26","0.004","8.1904","0.001","90","","108.994","0.01","90","","898.7","0.3","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium morpholine-4-carbodithioate monohydrate","","- C5 H10 K N O2 S2 -","- C5 H10 K N O2 S2 -","- C20 H40 K4 N4 O8 S8 -","4","1","SU2446","Mafud, Ana C.","Potassium morpholine-4-carbodithioate monohydrate","Acta Crystallographica Section E","2012","68","8","m1025","","10.1107/S1600536812029613","","","0.71073","MoKα","","0.116","0.0473","","","","0.1295","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235990","13.0467","0.0003","23.424","0.0007","14.3264","0.0005","90","","103.541","0.003","90","","4256.5","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido(pyridine-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cobalt(III) chloroform hemisolvate","","- C49.5 H33.5 Cl2.5 Co N5 -","- C49 H33 Cl Co N5 -","- C196 H132 Cl4 Co4 N20 -","4","1","SU2453","Belghith, Yassin; Daran, Jean-Claude; Nasri, Habib","Chlorido(pyridine-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cobalt(III) chloroform hemisolvate","Acta Crystallographica Section E","2012","68","8","m1104","m1105","10.1107/S1600536812032564","","","0.71073","MoKα","","0.0477","0.0391","","","0.1045","0.1076","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235991","24.9797","0.0014","31.666","0.003","4.4495","0.0002","90","","90","","90","","3519.6","0.4","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4,4',6,6'-Tetrachloro-2,2'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(nitrilomethanylylidene)]diphenol","","- C17 H14 Cl4 N2 O2 -","- C17 H14 Cl4 N2 O2 -","- C136 H112 Cl32 N16 O16 -","8","0.5","SU2464","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,4',6,6'-Tetrachloro-2,2'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","8","o2323","","10.1107/S1600536812029443","","","0.71073","MoKα","","0.0415","0.0273","","","0.0612","0.0675","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235992","12.723","0.003","10.291","0.002","6.9428","0.0018","90","","97.046","0.015","90","","902.2","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4',6,6'-Tetrabromo-2,2'-[(<i>E</i>,<i>E</i>)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol","","- C16 H12 Br4 N2 O2 -","- C16 H12 Br4 N2 O2 -","- C32 H24 Br8 N4 O4 -","2","0.5","SU2470","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,4',6,6'-Tetrabromo-2,2'-[(<i>E</i>,<i>E</i>)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","8","o2348","","10.1107/S1600536812029832","","","0.71073","MoKα","","0.1319","0.0694","","","0.1691","0.2024","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235993","4.5578","0.0003","16.5095","0.0011","27.2417","0.0018","90","","91.736","0.004","90","","2048.9","0.2","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(<i>Z</i>)-(3-{[(<i>Z</i>)-2-Hydroxy-3,5-diiodobenzylidene]amino}propylimino)methyl]-4,6-diiodophenol","","- C17 H14 I4 N2 O2 -","- C17 H14 I4 N2 O2 -","- C68 H56 I16 N8 O8 -","4","1","SU2471","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","2-[(<i>Z</i>)-(3-{[(<i>Z</i>)-2-Hydroxy-3,5-diiodobenzylidene]amino}propylimino)methyl]-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","8","o2500","","10.1107/S160053681203214X","","","0.71073","MoKα","","0.0779","0.0345","","","0.0499","0.0592","","","","","","0.975","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235994","26.1229","0.0018","10.7409","0.0007","7.2387","0.0005","90","","98.107","0.003","90","","2010.8","0.2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(3,5-diiodosalicylidene)-1,3-propanediamine nickel(II)","{4,4',6,6'-Tetraiodo-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","","- C17 H12 I4 N2 Ni O2 -","- C17 H12 I4 N2 Ni O2 -","- C68 H48 I16 N8 Ni4 O8 -","4","0.5","SU2472","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetraiodo-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section E","2012","68","8","m1090","","10.1107/S1600536812032138","","","0.71073","MoKα","","0.0447","0.0306","","","0.0506","0.0549","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235995","5.0734","0.0003","11.4528","0.0007","15.0751","0.0009","90","","99.679","0.001","90","","863.46","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Cyano-1-methylpyridinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C28 H28 I4 N8 -","4","1","SU2473","Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyano-1-methylpyridinium iodide","Acta Crystallographica Section E","2012","68","8","o2514","","10.1107/S1600536812032230","","","0.71073","MoKα","","0.0251","0.0201","","","0.0454","0.0476","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235996","14.786","0.003","14.634","0.003","15.399","0.003","90","","92.288","0.004","90","","3329.4","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","2","SU2474","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Singh, Kuldip; El-Remaily, Mahoud A. A.","2-Ethoxy-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2495","o2496","10.1107/S1600536812032163","","","0.71073","MoKα","","0.1351","0.0612","","","0.1292","0.1574","","","","","","0.81","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235997","3.9084","0.0001","9.8832","0.0004","12.0091","0.0005","90","","93.9","0.002","90","","462.81","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Bithiophene-3,3'-dicarbonitrile","","- C10 H4 N2 S2 -","- C10 H4 N2 S2 -","- C20 H8 N4 S4 -","2","0.5","SU2475","Novina, J. Josephine; Vasuki, G.; Karthik, Durai; Thomas, K. R. Justin","2,2'-Bithiophene-3,3'-dicarbonitrile","Acta Crystallographica Section E","2012","68","8","o2542","","10.1107/S1600536812032503","","","0.71073","MoKα","","0.0459","0.034","","","0.0946","0.1047","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235998","9.8117","0.0003","20.3445","0.0004","8.0486","0.0002","90","","90","","90","","1606.61","0.07","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,1,1-trichloro-2,2-bis(4-iodophenyl)ethane","","- C14 H9 Cl3 I2 -","- C14 H9 Cl3 I2 -","- C56 H36 Cl12 I8 -","4","1","SU2477","Smith, Graham","1,1,1-Trichloro-2,2-bis(4-iodophenyl)ethane","Acta Crystallographica Section E","2012","68","8","o2504","","10.1107/S1600536812032254","","","0.71073","MoKα","","0.0476","0.0441","","","0.1094","0.1122","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235999","6.904","0.004","8.494","0.005","8.643","0.005","67.191","0.005","70.36","0.005","87.172","0.005","438.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2,2'-[2,2'-bi(1<i>H</i>-1,3-benzimidazole)-1,1'-diyl]diacetate","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","1","0.5","SU2479","Guo, Huai-Ling; Liu, Jia-Cheng; Xiao, Chao-Hu; Pang, Ting; Cao, Ping","Dimethyl 2,2'-[2,2'-bi(1<i>H</i>-1,3-benzimidazole)-1,1'-diyl]diacetate","Acta Crystallographica Section E","2012","68","8","o2512","","10.1107/S1600536812032266","","","0.71073","MoKα","","0.0669","0.0477","","","0.1152","0.1268","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236000","7.7861","0.0002","9.7877","0.0003","9.9087","0.0003","77.851","0.003","71.462","0.002","86.72","0.003","699.87","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)zinc","","- C28 H26 N4 O10 Zn -","- C28 H26 N4 O10 Zn -","- C28 H26 N4 O10 Zn -","1","0.5","SU2483","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)zinc","Acta Crystallographica Section E","2012","68","8","m1127","m1128","10.1107/S160053681203320X","","","0.71073","MoKα","","0.0221","0.0217","","","0.0595","0.0597","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236001","9.0371","0.0002","9.6216","0.0002","11.0308","0.0003","75.171","0.002","65.865","0.002","69.833","0.001","814.2","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methylphenyl)-7-(2-methylpropoxy)-4<i>H</i>-chromen-4-one‒ 6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4<i>H</i>-chromen-4-one (19/1)","","- C20 H19.95 Cl0.05 O3 -","- C20 H19.947 Cl0.053 O3 -","- C40 H39.894 Cl0.106 O6 -","2","1","TK5116","Barot, Vijay M.; Jotani, Mukesh M.; Maheta, Jeshal G.","2-(4-Methylphenyl)-7-(2-methylpropoxy)-4<i>H</i>-chromen-4-one‒6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4<i>H</i>-chromen-4-one (19/1)","Acta Crystallographica Section E","2012","68","8","o2582","o2583","10.1107/S1600536812033430","","","0.71069","MoKα","","0.0692","0.0475","","","0.1233","0.136","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236002","9.8003","0.0006","15.8876","0.001","13.5588","0.0009","90","","100.306","0.003","90","","2077.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-<i>trans</i>-5-Benzoyl-4-(3-bromophenyl)-2-(1<i>H</i>-indol-3-yl)-4,5- dihydrofuran-3-carbonitrile","","- C26 H17 Br N2 O2 -","- C26 H17 Br N2 O2 -","- C104 H68 Br4 N8 O8 -","4","1","TK5125","Suresh, J.; Vishnupriya, R.; Gunasekaran, P.; Perumal, S.; Lakshman, P. L. Nilantha","(±)-<i>trans</i>-5-Benzoyl-4-(3-bromophenyl)-2-(1<i>H</i>-indol-3-yl)-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2397","","10.1107/S1600536812030073","","","0.71073","MoKα","","0.0803","0.0428","","","0.0939","0.1076","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236003","11.9612","0.0006","6.9478","0.0003","13.1554","0.0006","90","","91.244","0.002","90","","1093.01","0.09","91","2","91","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-(2-Hydroxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","TK5126","Mohamed, Shaaban K.; Abdelhamid, Antar A.; Younes, Sabry H. H.; Elremaily, Mahmoud A. A.; Simpson, Jim","(<i>Z</i>)-3-(2-Hydroxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","8","o2371","o2372","10.1107/S1600536812030243","","","0.71073","MoKα","","0.049","0.0409","","","0.095","0.0998","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236004","6.7963","0.0003","8.4054","0.0003","11.6649","0.0005","76.508","0.002","81.134","0.002","80.596","0.002","634.58","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-[(2<i>Z</i>)-Azepan-2-ylidene]-1-(4-nitrophenyl)ethanone","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C28 H32 N4 O6 -","2","1","TK5129","Mthembu, Siyanda T.; Madeley, Lee G.; de Koning, Charles B.; Michael, Joseph P.","2-[(2<i>Z</i>)-Azepan-2-ylidene]-1-(4-nitrophenyl)ethanone","Acta Crystallographica Section E","2012","68","8","o2479","","10.1107/S1600536812032035","","","0.71073","MoKα","","","0.0391","","","","0.1158","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236005","3.855","0.003","7.585","0.002","10.094","0.002","92.424","0.003","98.172","0.002","104.166","0.002","282.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cobalt(II)]-di-μ-thiourea- κ^4^<i>S</i>:<i>S</i>]","","- C4 H8 Co N6 S4 -","- C4 H8 Co N6 S4 -","- C4 H8 Co N6 S4 -","1","0.5","TK5133","Rajarajan, K.; Sendil Kumar, K.; Ramesh, V.; Shihabuddeen, V.; Murugavel, S.","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cobalt(II)]-di-μ-thiourea-κ^4^<i>S</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","8","m1125","m1126","10.1107/S1600536812033193","","","0.71073","MoKα","","0.0199","0.0189","","","0.0518","0.0524","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236006","17.1009","0.0007","8.77","0.0004","13.117","0.0006","90","","103.898","0.004","90","","1909.63","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-[(<i>E</i>)-2-(1-Benzothiophen-3-ylmethylidene)hydrazin-1- ylidene]-1,2-diphenylethanone","","- C23 H16 N2 O S -","- C23 H16 N2 O S -","- C92 H64 N8 O4 S4 -","4","1","VM2179","Pekdemir, Merve; Işık, Şamil; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(<i>Z</i>)-2-[(<i>E</i>)-2-(1-Benzothiophen-3-ylmethylidene)hydrazin-1-ylidene]-1,2-diphenylethanone","Acta Crystallographica Section E","2012","68","8","o2579","o2580","10.1107/S1600536812030978","","","0.71073","MoKα","","0.0861","0.0544","","","0.1043","0.1208","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236007","20.9117","0.0006","7.9115","0.0002","19.8842","0.0005","90","","117.706","0.002","90","","2912.52","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dianilinium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cuprate(II) hexahydrate","","- C26 H34 Cu N4 O14 -","- C26 H34 Cu N4 O14 -","- C104 H136 Cu4 N16 O56 -","4","0.5","VN2037","Shokooh Saljooghi, Amir; Amiri Rudbari, Hadi; Nicolò, Francesco; Zahmati, Maliheh; Delavar Mendi, Fatemeh; Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud","Dianilinium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cuprate(II) hexahydrate","Acta Crystallographica Section E","2012","68","8","m1020","m1021","10.1107/S1600536812028590","","","0.71073","MoKα","","0.027","0.0249","","","0.0713","0.0733","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236008","11.0563","0.0015","7.56","0.001","5.3637","0.0007","90","","90","","90","","448.33","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Nioboaeschynite-(Ce)","calcium cerium(III) niobium(V) titanium(IV) hexaoxide","","- Ca0.25 Ce0.79 Nb1.14 O6 Ti0.86 -","- Ca0.25 Ce0.788 Nb1.14 O6 Ti0.86 -","- Ca Ce3.152 Nb4.56 O24 Ti3.44 -","4","0.5","WM2645","Morrison, Shaunna M.; Downs, Robert T.; Domanik, Kenneth J.; Yang, Hexiong; Doell, Donald","Nioboaeschynite-(Ce), Ce(NbTi)O~6~","Acta Crystallographica Section E","2012","68","8","i64","i65","10.1107/S1600536812031765","","","0.71073","MoKα","","0.0325","0.0234","","","0.0519","0.0554","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236009","7.7847","0.0001","7.7944","0.0002","21.1957","0.0008","93.487","0.002","93.163","0.002","96.912","0.002","1271.84","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","[<i>N</i>,<i>N</i>'-Bis(2,3,4-trimethoxybenzylidene)ethane-1,2- diamine-κ^2^<i>N</i>,<i>N</i>']dibromidomercury(II)","","- C22 H28 Br2 Hg N2 O6 -","- C22 H28 Br2 Hg N2 O6 -","- C44 H56 Br4 Hg2 N4 O12 -","2","1","WM2653","Khalaji, Aliakbar Dehno; Dušek, Michal; Fejfarová, Karla","[<i>N</i>,<i>N</i>'-Bis(2,3,4-trimethoxybenzylidene)ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>']dibromidomercury(II)","Acta Crystallographica Section E","2012","68","8","m1044","","10.1107/S1600536812030577","","","0.7107","MoKα","","0.0556","0.0435","","","0.1203","0.1252","","","","","","1.76","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236010","9.8028","0.0004","11.2293","0.0005","11.5316","0.0005","90.408","0.002","91.684","0.002","112.183","0.0018","1174.69","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-diphenylthioureato- κ^2^<i>S</i>,<i>O</i>)(η^4^-cycloocta-1,5-diene)rhodium(I)","","- C28 H27 N2 O Rh S -","- C28 H27 N2 O Rh S -","- C56 H54 N4 O2 Rh2 S2 -","2","1","WM2654","Warsink, Stefan; Roodt, Andreas","(<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-diphenylthioureato-κ^2^<i>S</i>,<i>O</i>)(η^4^-cycloocta-1,5-diene)rhodium(I)","Acta Crystallographica Section E","2012","68","8","m1053","m1054","10.1107/S1600536812029753","","","0.71069","MoKα","","0.0331","0.0276","","","","0.07","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236011","8.9415","0.0004","8.7618","0.0003","16.3172","0.0006","90","","102.281","0.004","90","","1249.1","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis(nitrato-κ<i>O</i>)tetrakis(1-vinyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II)","","- C20 H24 Cu N10 O6 -","- C20 H24 Cu N10 O6 -","- C40 H48 Cu2 N20 O12 -","2","0.5","WM2655","Şen, Fatih; Şahin, Ramazan; Andaç, Ömer; Taş, Murat","<i>trans</i>-Bis(nitrato-κ<i>O</i>)tetrakis(1-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","Acta Crystallographica Section E","2012","68","8","m1045","","10.1107/S1600536812030607","","","0.71073","MoKα","","0.0567","0.0406","","","0.0961","0.1087","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236012","23.162","0.007","5.0997","0.0014","7.769","0.002","90","","90","","90","","917.7","0.4","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Aqua{4,4'-dimethoxy-2,2'-[pyridine-2,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C21 H19 Cu N3 O5 -","- C21 H19 Cu N3 O5 -","- C42 H38 Cu2 N6 O10 -","2","0.5","WM2656","Benghanem, Fatiha; Benramdane, Razika; Bouacida, Sofiane; Keraghel, Saida; Ourari, Ali","Aqua{4,4'-dimethoxy-2,2'-[pyridine-2,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","8","m1069","m1070","10.1107/S1600536812031273","","","0.71073","MoKα","","0.0446","0.0318","","","0.0571","0.0604","","","","","","0.893","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236013","12.7555","0.0016","11.185","0.0014","20.251","0.002","90","","105.795","0.002","90","","2780.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(adamantan-1-aminium) hydrogen phosphate fumaric acid sesquisolvate","","- C52 H86 N4 O20 P2 -","- C52 H86 N4 O20 P2 -","- C104 H172 N8 O40 P4 -","2","0.5","WM2659","Mrad, Mohamed Lahbib; Zeller, Matthias; Hernandez, Kristen J.; Rzaigui, Mohamed; Ben Nasr, Cherif","Bis(adamantan-1-aminium) hydrogen phosphate fumaric acid sesquisolvate","Acta Crystallographica Section E","2012","68","8","o2531","o2532","10.1107/S1600536812032734","","","0.71073","MoKα","","0.053","0.0421","","","0.1055","0.1133","","","","","","1.024","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2236014","12.594","0.004","11.736","0.004","14.403","0.004","90","","113.31","0.001","90","","1955.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis[1-(2-benzamidoethyl)-3-(2,4,6-trimethylphenyl)imidazol- 2-ylidene]dichloridopalladium(II)","","- C42 H46 Cl2 N6 O2 Pd -","- C42 H46 Cl2 N6 O2 Pd -","- C84 H92 Cl4 N12 O4 Pd2 -","2","0.5","WM2660","Warsink, Stefan; Roodt, Andreas","<i>trans</i>-Bis[1-(2-benzamidoethyl)-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]dichloridopalladium(II)","Acta Crystallographica Section E","2012","68","8","m1075","m1076","10.1107/S1600536812031868","","","0.71073","MoKα","","0.0235","0.0208","","","","0.0553","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236015","8.3711","0.0017","11.419","0.002","28.685","0.006","90","","90","","90","","2742","0.9","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl <i>ent</i>-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate","","- C30 H41 N O6 -","- C30 H41 N O6 -","- C120 H164 N4 O24 -","4","1","WN2481","Wu, Ya; Wang, Xia; Gong, Jian-hong; Tao, Jing-chao","Ethyl <i>ent</i>-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate","Acta Crystallographica Section E","2012","68","8","o2342","","10.1107/S1600536812029418","","","0.71073","MoKα","","0.0836","0.0698","","","0.1778","0.1857","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236016","8.1547","0.0002","8.9321","0.0002","9.4028","0.0002","86.258","0.001","67.376","0.001","80.719","0.001","623.9","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,4-Diazabicyclo[2.2.2]octane‒<i>trans</i>,<i>trans</i>-hexa-2,4-dienedioic acid (1/1)","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","WN2482","Moon, Suk-Hee; Park, Ki-Min","1,4-Diazabicyclo[2.2.2]octane‒<i>trans</i>,<i>trans</i>-hexa-2,4-dienedioic acid (1/1)","Acta Crystallographica Section E","2012","68","8","o2344","","10.1107/S160053681202942X","","","0.71073","MoKα","","0.05","0.0445","","","0.1203","0.125","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236017","9.6769","0.0009","10.6596","0.001","10.7996","0.001","72.851","0.001","63.551","0.001","81.478","0.001","952.87","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Diaquadi-μ-formato-bis{μ-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}cadmium(II)dinickel(II) dihydrate","Diaqua-1κ<i>O</i>,3κ<i>O</i>-di-μ-formato- 1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-bis{μ-2,2'-[propane- 1,3-diylbis(nitrilomethanylylidene)]diphenolato}- 1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>'; 2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'- 2-cadmium(II)-1,3-dinickel(II) dihydrate","","- C36 H42 Cd N4 Ni2 O12 -","- C36 H42 Cd N4 Ni2 O12 -","- C36 H42 Cd N4 Ni2 O12 -","1","0.5","XU5190","Zhang, Jian-Feng; Wan, Bo; Liu, Wen; Shi, Qian","Diaquadi-μ-formato-bis{μ-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}cadmium(II)dinickel(II) dihydrate","Acta Crystallographica Section E","2012","68","8","m1122","m1123","10.1107/S1600536812029583","","","0.71073","MoKα","","0.0335","0.0263","","","0.0708","0.0736","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236018","11.3359","0.0007","12.1934","0.0007","15.3262","0.0009","90","","109.745","0.001","90","","1993.9","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","XU5556","Zhao, Yiliang; Hibbs, David E.; Groundwater, Paul W.; Wassef, Abram","Diethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","8","o2536","","10.1107/S160053681202750X","","","0.71073","MoKα","","0.0577","0.0431","","","0.1115","0.1202","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236019","8.472","0.0002","10.3043","0.0002","25.8774","0.0005","90","","90","","90","","2259.05","0.08","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Diethyl 3,4-dimethyl 5-(4-cyanophenyl)pyrrolidine-2,2,3,4-tetracarboxylate","","- C21 H24 N2 O8 -","- C21 H24 N2 O8 -","- C84 H96 N8 O32 -","4","1","XU5557","He, Long","2,2-Diethyl 3,4-dimethyl 5-(4-cyanophenyl)pyrrolidine-2,2,3,4-tetracarboxylate","Acta Crystallographica Section E","2012","68","8","o2363","","10.1107/S1600536812029625","","","1.54184","CuKα","","0.0595","0.05","","","0.1341","0.1413","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236020","10.1866","0.0003","13.698","0.0003","21.703","0.0006","90","","111.174","0.002","90","","2823.9","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>')[μ-5- (diphenylphosphinoyl)isophthalato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]nickel(II)]","","- C32 H25 N2 Ni O6 P -","- C32 H25 N2 Ni O6 P -","- C128 H100 N8 Ni4 O24 P4 -","4","1","XU5570","Zhang, Peng; Liu, Yu-Jie; Li, Kai-Hui; Yang, Guang-Rui; Mei, Chong-Zhen","Poly[aqua[μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'][μ-5-(diphenylphosphinoyl)isophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]nickel(II)]","Acta Crystallographica Section E","2012","68","8","m1058","m1059","10.1107/S1600536812031108","","","0.71073","MoKα","","0.0818","0.0471","","","0.1026","0.1124","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236021","7.6012","0.0003","12.238","0.0004","17.8839","0.0006","90","","90","","90","","1663.62","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Oxybis[2-(hydroxymethyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4,5-triol] dihydrate","","- C12 H26 O13 -","- C12 H26 O13 -","- C48 H104 O52 -","4","1","XU5574","Liu, Wei; Yan, Jun; Song, Qin; Gou, Xiao-Jun; Chen, Feng-Zheng","Trehalose dihydrate from <i>Tremella fuciformis</i>","Acta Crystallographica Section E","2012","68","8","o2511","","10.1107/S1600536812031947","","","0.71073","MoKα","","0.0401","0.0336","","","0.0705","0.0744","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236022","9.7021","0.0014","13.0937","0.0017","7.8806","0.0013","90","","95.746","0.005","90","","996.1","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[(Pyrazin-2-yl)amino]methyl}phenol","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","XU5580","Gao, Shan; Ng, Seik Weng","2-{[(Pyrazin-2-yl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","8","o2472","","10.1107/S1600536812031339","","","0.71073","MoKα","","0.1331","0.0613","","","0.138","0.1912","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236023","6.3331","0.0004","10.6761","0.0009","15.3714","0.001","90","","90","","90","","1039.3","0.13","295","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-{[(Pyridin-2-yl)amino]methyl}phenol","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","XU5581","Gao, Shan; Ng, Seik Weng","2-{[(Pyridin-2-yl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","8","o2473","","10.1107/S1600536812031340","","","0.71073","MoKα","","0.0783","0.0434","","","0.1082","0.1312","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236024","13.611","0.004","12.687","0.003","10.03","0.002","90","","132.694","0.012","90","","1273","0.6","295","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[(2-Hydroxybenzyl)amino]pyridinium nitrate","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","1","XU5582","Gao, Shan; Ng, Seik Weng","4-[(2-Hydroxybenzyl)amino]pyridinium nitrate","Acta Crystallographica Section E","2012","68","8","o2474","","10.1107/S1600536812031352","","","0.71073","MoKα","","0.0501","0.0426","","","0.1047","0.1161","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236025","19.3402","0.0014","5.9467","0.0003","11.1761","0.0009","90","","116.263","0.01","90","","1152.68","0.17","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-[(2-Hydroxybenzyl)amino]pyrazinium perchlorate‒2-[(pyrazin-2-ylamino)methyl]phenol (1/1)","","- C22 H23 Cl N6 O6 -","- C22 H23 Cl N6 O6 -","- C44 H46 Cl2 N12 O12 -","2","0.5","XU5583","Gao, Shan; Ng, Seik Weng","2-[(2-Hydroxybenzyl)amino]pyrazinium perchlorate‒2-[(pyrazin-2-ylamino)methyl]phenol (1/1)","Acta Crystallographica Section E","2012","68","8","o2475","","10.1107/S1600536812031558","","","0.71073","MoKα","","0.0604","0.0467","","","0.1072","0.116","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236026","8.7875","0.0006","9.0946","0.0006","13.8873","0.0011","100.837","0.006","97.994","0.006","114.7","0.005","960.42","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ<i>O</i>)bis(2-pyridinealdoxime- κ^2^<i>N</i>,<i>N</i>')cadmium(II)","","- C16 H18 Cd N4 O6 -","- C16 H18 Cd N4 O6 -","- C32 H36 Cd2 N8 O12 -","2","1","XU5584","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Bis(acetato-κ<i>O</i>)bis(2-pyridinealdoxime-κ^2^<i>N</i>,<i>N</i>')cadmium","Acta Crystallographica Section E","2012","68","8","m1080","m1081","10.1107/S1600536812031819","","","0.71073","MoKα","","0.042","0.0343","","","0.0823","0.0842","","","","","","0.994","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236027","11.2699","0.0012","7.3799","0.0007","11.8669","0.0015","90","","95.267","0.009","90","","982.81","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetraaquacopper(II)]-μ-pyrazine-2-carboxamide- κ^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>-[bis(sulfato-κ<i>O</i>)copper(II)]- μ-pyrazine-2-carboxamide-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^]","","- C5 H9 Cu N3 O7 S -","- C5 H9 Cu N3 O7 S -","- C20 H36 Cu4 N12 O28 S4 -","4","1","XU5585","Shirvan, Sadif A.; Haydari Dezfuli, Sara","<i>catena</i>-Poly[[tetraaquacopper(II)]-μ-pyrazine-2-carboxamide-κ^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>-[bis(sulfato-κ<i>O</i>)copper(II)]-μ-pyrazine-2-carboxamide-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^]","Acta Crystallographica Section E","2012","68","8","m1082","m1083","10.1107/S1600536812031844","","","0.71073","MoKα","","0.0484","0.0353","","","0.0983","0.1029","","","","","","1.071","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236028","7.1988","0.0002","8.5347","0.0002","15.9719","0.0004","85.435","0.003","78.01","0.003","67.846","0.002","889.03","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4- formylbenzoato-κ<i>O</i>^1^)zinc","","- C36 H42 N4 O10 Zn -","- C36 H42 N4 O10 Zn -","- C36 H42 N4 O10 Zn -","1","0.5","XU5586","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4-formylbenzoato-κ<i>O</i>^1^)zinc","Acta Crystallographica Section E","2012","68","8","m1067","m1068","10.1107/S1600536812031200","","","0.71073","MoKα","","0.0286","0.025","","","0.071","0.0809","","","","","","1.163","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236029","15.808","0.005","6.606","0.002","16.693","0.008","90","","94.107","0.016","90","","1738.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Ethanolato-κ<i>O</i>)[<i>N</i>'-(3-methoxy-2- oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato- κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V)","","- C17 H17 N2 O6 V -","- C17 H17 N2 O6 V -","- C68 H68 N8 O24 V4 -","4","1","XU5587","Chen, Xiao-Hua; Wu, Qiong-Jie; Chen, Li-Juan; Yang, Ming-Xing","(Ethanolato-κ<i>O</i>)[<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V)","Acta Crystallographica Section E","2012","68","8","m1101","m1102","10.1107/S1600536812032229","","","0.71073","MoKα","","0.0483","0.0378","","","0.0997","0.1045","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236030","14.2209","0.001","11.2252","0.0008","12.7139","0.0009","90","","113.286","0.001","90","","1864.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ-3-amino-5-carboxybenzoato- κ^2^<i>N</i>:<i>O</i>^1^)diaquazinc] dihydrate]","","- C16 H20 N2 O12 Zn -","- C16 H20 N2 O12 Zn -","- C64 H80 N8 O48 Zn4 -","4","0.5","XU5588","Zhang, Kou-Lin; Qiu, Ting-Ting; Ng, Seik Weng","Poly[[bis(μ-3-amino-5-carboxybenzoato-κ^2^<i>N</i>:<i>O</i>^1^)diaquazinc] dihydrate]","Acta Crystallographica Section E","2012","68","8","m1088","","10.1107/S1600536812031789","","","0.71073","MoKα","","0.0385","0.0337","","","0.0949","0.0979","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236031","15.2674","0.0003","12.2422","0.0003","22.3402","0.0005","90","","131.425","0.001","90","","3130.91","0.13","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(Anilino{(<i>Z</i>)-2-[(<i>E</i>)-5-bromo-3-methoxy-2- oxidobenzylidene]hydrazin-1-ylidene-κ^2^<i>O</i>^2^,<i>N</i>^2^} methanethiolato-κ<i>S</i>)(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C30 H31 Br N6 O3 S Zn -","- C30 H31 Br N6 O3 S Zn -","- C120 H124 Br4 N24 O12 S4 Zn4 -","4","2","XU5589","Jacob, Jinsa Mary; Prathapachandra Kurup, M. R.; Ng, Seik Weng","(Anilino{(<i>Z</i>)-2-[(<i>E</i>)-5-bromo-3-methoxy-2-oxidobenzylidene]hydrazin-1-ylidene-κ^2^<i>O</i>^2^,<i>N</i>^2^}methanethiolato-κ<i>S</i>)(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","8","m1089","","10.1107/S1600536812031777","","","0.71073","MoKα","","0.1204","0.0697","","","0.1751","0.2105","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236032","9.0361","0.001","11.6937","0.0011","13.6904","0.0015","90","","100.588","0.003","90","","1422","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,5-Dichloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","XU5591","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Arshad, Muhammad Nadeem","2,5-Dichloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2476","","10.1107/S1600536812032023","","","0.71073","MoKα","","0.0635","0.052","","","0.1456","0.1588","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236033","7.0494","0.0003","14.6994","0.0007","15.3608","0.0007","90","","90","","90","","1591.72","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4,6-Tri-<i>O</i>-acetyl-1,2-[(<i>S</i>)-ethylidene]-β-<i>D</i>- mannopyranose","","- C14 H20 O9 -","- C14 H20 O9 -","- C56 H80 O36 -","4","1","XU5592","Kinfe, Henok H.; Makolo, Felix L.; Phasha, Zanele; Muller, Alfred","3,4,6-Tri-<i>O</i>-acetyl-1,2-[(<i>S</i>)-ethylidene]-β-<small>D</small>-mannopyranose","Acta Crystallographica Section E","2012","68","8","o2520","","10.1107/S1600536812032369","","","1.54178","CuKα","","0.0274","0.0256","","","","0.0852","","","","","","1.203","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236034","16.495","0.003","6.632","0.0013","16.273","0.003","90","","119.56","0.03","90","","1548.5","0.7","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(2-amino-3-methylpyridine-κ<i>N</i>^1^)dichloridomercury(II)","","- C12 H16 Cl2 Hg N4 -","- C12 H16 Cl2 Hg N4 -","- C48 H64 Cl8 Hg4 N16 -","4","1","XU5594","Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz","Bis(2-amino-3-methylpyridine-κ<i>N</i>^1^)dichloridomercury(II)","Acta Crystallographica Section E","2012","68","8","m1099","","10.1107/S1600536812032126","","","0.71073","MoKα","","0.0553","0.0466","","","0.1126","0.1163","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236035","10.8485","0.0002","11.9605","0.0002","16.5705","0.0003","90","","111.246","0.001","90","","2003.95","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>S</i>,3<i>R</i>)-3-Isobutyl-2,3-dihydrospiro[benzo[<i>f</i>]isoindole- 1,3'-indoline]-2',4,9-trione methanol monosolvate","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","XU5595","Sharma, Garima; Kumar, S. Vasanth; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(1<i>S</i>,3<i>R</i>)-3-Isobutyl-2,3-dihydrospiro[benzo[<i>f</i>]isoindole-1,3'-indoline]-2',4,9-trione methanol monosolvate","Acta Crystallographica Section E","2012","68","8","o2522","o2523","10.1107/S1600536812032643","","","0.71073","MoKα","","0.0745","0.0528","","","0.1235","0.1345","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236036","7.5586","0.0015","7.5876","0.0015","11.311","0.002","106.859","0.002","95.79","0.002","110.883","0.002","564.7","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(thiocyanato-κ<i>N</i>)bis[6-(4<i>H</i>-1,2,4-triazol-4-yl- κ<i>N</i>^1^)pyridin-2-amine]cadmium","","- C16 H18 Cd N12 O2 S2 -","- C16 H18 Cd N12 O2 S2 -","- C16 H18 Cd N12 O2 S2 -","1","0.5","XU5596","Liu, Yuan-Yuan; Yang, Pan; Ding, Bin","Diaquabis(thiocyanato-κ<i>N</i>)bis[6-(4<i>H</i>-1,2,4-triazol-4-yl-κ<i>N</i>^1^)pyridin-2-amine]cadmium","Acta Crystallographica Section E","2012","68","8","m1095","m1096","10.1107/S1600536812032473","","","0.71073","MoKα","","0.0181","0.0172","","","0.0453","0.0457","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236037","7.7784","0.0002","9.7988","0.0003","9.897","0.0003","78.08","0.003","71.395","0.002","86.638","0.004","699.48","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide- κ<i>N</i>^1^)cobalt(II)","","- C28 H26 Co N4 O10 -","- C28 H26 Co N4 O10 -","- C28 H26 Co N4 O10 -","1","0.5","XU5597","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section E","2012","68","8","m1091","m1092","10.1107/S1600536812032205","","","0.71073","MoKα","","0.0281","0.0257","","","0.0672","0.0686","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236038","16.8457","0.0012","10.6227","0.0008","10.4817","0.0006","90","","101.268","0.004","90","","1839.5","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(2-Aminopyridin-3-yl)imino]methyl}-4,6-di-<i>tert</i>- butylphenol","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C80 H108 N12 O4 -","4","1","YK2062","Carreño, Alexander; Ladeira, Sonia; Castel, Annie; Vega, Andres; Chavez, Ivonne","(<i>E</i>)-2-{[(2-Aminopyridin-3-yl)imino]methyl}-4,6-di-<i>tert</i>-butylphenol","Acta Crystallographica Section E","2012","68","8","o2507","o2508","10.1107/S1600536812032060","","","0.71073","MoKα","","0.0969","0.054","","","0.1383","0.1598","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236039","6.8912","0.0008","6.9725","0.0009","8.9927","0.001","67.964","0.011","74.368","0.01","78.258","0.01","383.16","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,9-Diiodohexacyclo[9.3.1.1^2,6^.1^4,8^.1^9,13^.0^1,8^]octadecane","","- C18 H24 I2 -","- C18 H24 I2 -","- C18 H24 I2 -","1","0.5","ZJ2079","Ioannou, Savvas; Moushi, Eleni","2,9-Diiodohexacyclo[9.3.1.1^2,6^.1^4,8^.1^9,13^.0^1,8^]octadecane","Acta Crystallographica Section E","2012","68","8","o2340","o2341","10.1107/S1600536812026797","","","0.71073","MoKα","","0.0342","0.0324","","","0.0834","0.0852","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236040","9.3038","0.0005","7.929","0.0005","19.6216","0.0012","90","","92.944","0.005","90","","1445.57","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2<i>H</i>-chromen-2-one","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","1","ZJ2082","Naik, Reshma; Sankolli, Ravish; Anil Kumar, G. N.; Row, T. N. Guru; Kulkarni, Manohar V.","4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2012","68","8","o2413","o2414","10.1107/S1600536812030759","","","0.71073","MoKα","","0.0708","0.0526","","","","0.1494","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236041","7.697","0.001","17.238","0.002","14.206","0.001","90","","100.551","0.001","90","","1853","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato- κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)","","- C12 H18 Cl2 Cu N4 O8 -","- C12 H18 Cl2 Cu N4 O8 -","- C48 H72 Cl8 Cu4 N16 O32 -","4","0.5","ZJ2084","Ourari, Ali; Bounab, Nawel; Bouacida, Sofiane; Aggoun, Djouhra","(Ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2012","68","8","m1030","m1031","10.1107/S1600536812029868","","","0.71073","MoKα","","0.0518","0.0466","","","0.1303","0.1364","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236042","17.546","0.0016","7.2752","0.0007","20.3148","0.0019","90","","95.691","0.002","90","","2580.4","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquabis[2,6-bis(4<i>H</i>-1,2,4-triazol-4-yl)pyridine- κ<i>N</i>^2^]bis(selenocyanato-κ<i>N</i>)cobalt(II)","","- C20 H18 Co N16 O2 Se2 -","- C20 H18 Co N16 O2 Se2 -","- C80 H72 Co4 N64 O8 Se8 -","4","0.5","ZJ2088","Liu, Yuan-Yuan; Yang, Pan","Diaquabis[2,6-bis(4<i>H</i>-1,2,4-triazol-4-yl)pyridine-κ<i>N</i>^2^]bis(selenocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","8","m1097","m1098","10.1107/S1600536812032461","","","0.71073","MoKα","","0.029","0.0258","","","0.064","0.0654","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236043","9.6434","0.0001","15.4287","0.0002","16.4161","0.0002","92.1948","0.0006","98.2331","0.0007","91.3097","0.0006","2414.53","0.05","90","0.5","90","0.5","101.3","","","","","","","3","P -1","-P 1","2","","1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-1,4,4a,4b,5,8,8a,12b- octahydro-1,4:5,8-dimethanotriphenylene","","- C20 H8 Cl12 -","- C20 H8 Cl12 -","- C80 H32 Cl48 -","4","2","ZJ2089","Jenkins, Brandon W.; Fronczek, Frank R.; Watkins, Steven F.","1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene at 90K","Acta Crystallographica Section E","2012","68","8","o2538","","10.1107/S1600536812032540","","","0.71073","MoKα","","","0.0322","","","","0.0858","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236044","14.3793","0.0003","11.4519","0.0002","9.6419","0.0002","90","","107.854","0.001","90","","1511.27","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Iodo-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C16 H13 I O2 S -","- C16 H13 I O2 S -","- C64 H52 I4 O8 S4 -","4","1","ZL2489","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Iodo-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","8","o2390","","10.1107/S1600536812030036","","","0.71073","MoKα","","0.0358","0.0268","","","0.0635","0.0682","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236045","13.3701","0.0011","6.1744","0.0005","31.797","0.002","90","","90.381","0.002","90","","2624.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2,6-diphenyl-1-<i>p</i>-tolyl-4-(<i>p</i>-tolylamino)-1,2,5,6- tetrahydropyridine-3-carboxylate","","- C33 H32 N2 O2 -","- C33 H32 N2 O2 -","- C132 H128 N8 O8 -","4","1","ZL2490","Venugopala, K. N.; Nayak, Susanta K.; Odhav, Bharti","Methyl 2,6-diphenyl-1-<i>p</i>-tolyl-4-(<i>p</i>-tolylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2012","68","8","o2392","o2393","10.1107/S1600536812030309","","","0.71073","MoKα","","0.0769","0.044","","","0.103","0.112","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236046","10.2652","0.0006","11.9064","0.0007","10.2416","0.0006","90","","108.403","0.007","90","","1187.73","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Methylphenylsulfonyl)maleamic acid","","- C11 H11 N O5 S -","- C11 H11 N O5 S -","- C44 H44 N4 O20 S4 -","4","1","ZL2493","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methylphenylsulfonyl)maleamic acid","Acta Crystallographica Section E","2012","68","8","o2499","","10.1107/S1600536812032084","","","0.71073","MoKα","","0.0356","0.0309","","","0.0834","0.0859","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236047","23.8629","0.0004","9.5396","0.0006","18.37","0.0007","90","","109.041","0.002","90","","3953","0.3","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,2-dimethoxyethane)-1κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>'- tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)- 1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-1,3-dilithium-2-magnesium","","- C24 H32 F24 Li2 Mg O8 -","- C24 H32 F24 Li2 Mg O8 -","- C96 H128 F96 Li8 Mg4 O32 -","4","0.5","ZL2496","Wurst, Klaus; Buchmeiser, Michael R.","Bis(1,2-dimethoxyethane)-1κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>'-tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-1,3-dilithium-2-magnesium","Acta Crystallographica Section E","2012","68","8","m1106","","10.1107/S1600536812032679","","","0.71073","MoKα","","0.0686","0.0482","","","0.1174","0.1267","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236048","14.5338","0.0002","13.6779","0.0002","15.0051","0.0002","90","","110.102","0.001","90","","2801.18","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl)methyl]benzene","","- C38 H30 N4 -","- C38 H30 N4 -","- C152 H120 N16 -","4","1","ZQ2175","Spencer, Lara C.; Guzei, Ilia A.; Segapelo, Tebogo V.; Darkwa, James","1,2-Bis[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl)methyl]benzene","Acta Crystallographica Section E","2012","68","8","o2584","","10.1107/S1600536812032801","","","1.54178","CuKα","","0.0445","0.0346","","","0.0876","0.0939","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236049","6.1425","0.0001","9.4196","0.0002","11.0394","0.0003","90","","90","","90","","638.74","0.02","90","0.5","90","0.5","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-Oxotetrahydrofuran-3-aminium bromide","","- C4 H8 Br N O2 -","- C4 H8 Br N O2 -","- C16 H32 Br4 N4 O8 -","4","1","ZQ2176","Sandifer, Jace D.; Fronczek, Frank R.; Watkins, Steven F.","(<i>S</i>)-2-Oxotetrahydrofuran-3-aminium bromide","Acta Crystallographica Section E","2012","68","8","o2539","","10.1107/S1600536812032552","","","0.71073","MoKα","","","0.0218","","","","0.0485","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236050","5.8944","0.0004","11.4875","0.0011","43.795","0.003","90","","90","","90","","2965.4","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>~P~)-5-Methyl-2-(propan-2-yl)cyclohexyl phenyl{phenyl[(1-phenylethyl)amino]methyl}phosphinate","","- C31 H40 N O2 P -","- C31 H40 N O2 P -","- C124 H160 N4 O8 P4 -","4","1","ZS2207","Yang, Meng; Sun, Yong-Ming; Hou, Qing-Gao; Zhao, Chang-Qiu","(<i>R</i>~P~)-5-Methyl-2-(propan-2-yl)cyclohexyl phenyl{phenyl[(1-phenylethyl)amino]methyl}phosphinate","Acta Crystallographica Section E","2012","68","8","o2328","","10.1107/S1600536812028243","","","0.71073","MoKα","","0.1212","0.0602","","","0.115","0.1326","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236051","5.4718","0.0001","8.402","0.0001","26.325","0.0005","90","","90","","90","","1210.27","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Phenyl-3<i>H</i>-2,3-benzodiazepin-4(5<i>H</i>)-one","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","ZS2221","Daouda, Ballo; Bihel, Frédéric; Doumbia, Mouhamadou Lamine; Essassi, El Mokhtar; Ng, Seik Weng","1-Phenyl-3<i>H</i>-2,3-benzodiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2443","","10.1107/S1600536812031327","","","0.71073","MoKα","","0.0439","0.04","","","0.1106","0.1151","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236052","10.969","0.0018","17.305","0.003","8.016","0.0013","90","","120.901","0.002","90","","1305.6","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dimethylammonium 5-carboxy-2-(1-oxo-1λ^5^-pyridin-2-yl)-1<i>H</i>-imidazole-4-carboxylate","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","1","ZS2224","Dai, Chuntao; Nie, Jianhua; Lin, Yuehua; Wang, Jun","Dimethylammonium 5-carboxy-2-(1-oxo-1λ^5^-pyridin-2-yl)-1<i>H</i>-imidazole-4-carboxylate","Acta Crystallographica Section E","2012","68","8","o2600","","10.1107/S1600536812033557","","","0.71073","MoKα","","0.0458","0.0359","","","0.0792","0.0854","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236053","14.7469","0.0005","14.5697","0.0004","5.843","0.0002","90","","92.854","0.001","90","","1253.86","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-Phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C64 H44 F12 O4 -","4","1","AA2055","Zhao, Pei-Hua; Hao, Er-Jun; Liu, Ya-Qing; Zhao, Gui-Zhe","(<i>E</i>)-1-Phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","9","o2750","","10.1107/S1600536812035763","","","0.71073","MoKα","","0.0542","0.0356","","","0.073","0.0777","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236054","8.027","0.003","10.706","0.005","10.907","0.003","90","","97.333","0.003","90","","929.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5,6-Trimethylthieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C9 H10 N2 O S -","- C9 H10 N2 O S -","- C36 H40 N8 O4 S4 -","4","1","AA2064","Khatamov, Khamroqul; Saitqulov, Fozil; Ashurov, Jamshid; Shakhidoyatov, Khusnutdin","3,5,6-Trimethylthieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","9","o2740","","10.1107/S1600536812035416","","","1.54184","CuKα","","0.0685","0.0495","","","0.1377","0.1513","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236055","5.7058","0.0001","5.8289","0.0001","27.315","0.0004","90","","90","","90","","908.46","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Leucinium fluoride monohydrate","L-Leucinium fluoride monohydrate","","- C6 H16 F N O3 -","- C6 H16 F N O3 -","- C24 H64 F4 N4 O12 -","4","1","AA2065","Zeghouan, Ouahida; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","<small>L</small>-Leucinium fluoride monohydrate","Acta Crystallographica Section E","2012","68","10","o2959","o2960","10.1107/S1600536812039001","","","0.71073","MoKα","","0.0328","0.0299","","","0.0772","0.0782","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236056","5.9317","0.0017","9.078","0.003","10.831","0.003","98.475","0.005","97.525","0.005","103.662","0.005","552.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[<i>N</i>-(1-Azanidyl-2,2,2-trichloroethylidene)-2,2,2- trichloroethanimidamide]copper(II)","","- C8 H4 Cl12 Cu N6 -","- C8 H4 Cl12 Cu N6 -","- C8 H4 Cl12 Cu N6 -","1","0.5","AA2069","Shikhaliyev, Namig G.; Maharramov, Abel M.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N.","[<i>N</i>-(1-Azanidyl-2,2,2-trichloroethylidene)-2,2,2-trichloroethanimidamide]copper(II)","Acta Crystallographica Section E","2012","68","9","m1220","m1221","10.1107/S1600536812036124","","","0.71073","MoKα","","0.053","0.0465","","","0.1274","0.133","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236057","29.6255","0.0008","6.8582","0.0002","14.8264","0.0004","90","","94.728","0.003","90","","3002.14","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[aquabis[μ~2~-6-(pyridine-3-carboxamido)naphthalene-2- carboxylato]copper(II)] dihydrate]","","- C34 H28 Cu N4 O9 -","- C34 H28 Cu N4 O9 -","- C136 H112 Cu4 N16 O36 -","4","0.5","AA2070","Song, Yun-Sung; Lee, Soon W.","Poly[[aquabis[μ~2~-6-(pyridine-3-carboxamido)naphthalene-2-carboxylato]copper(II)] dihydrate]","Acta Crystallographica Section E","2012","68","11","m1422","","10.1107/S1600536812044157","","","0.71073","MoKα","","0.0878","0.0448","","","0.0812","0.0945","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236058","7.3338","0.0002","10.361","0.0002","10.9799","0.0002","104.644","0.001","92.926","0.001","102.035","0.001","784.71","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-Ethylsulfinyl-2-(3-fluorophenyl)-5-iodo-7-methyl-1-benzofuran","","- C17 H14 F I O2 S -","- C17 H14 F I O2 S -","- C34 H28 F2 I2 O4 S2 -","2","1","AA2071","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-Ethylsulfinyl-2-(3-fluorophenyl)-5-iodo-7-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2965","","10.1107/S1600536812039463","","","0.71073","MoKα","","0.023","0.0216","","","0.0555","0.0564","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236059","5.0995","0.0005","30.792","0.003","12.7211","0.0011","90","","93.569","0.001","90","","1993.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{2-[2-(2-Cyano-4,6-dinitrophenyl)diazenyl]- 5-(diethylamino)phenyl}acetamide","","- C19 H19 N7 O5 -","- C19 H19 N7 O5 -","- C76 H76 N28 O20 -","4","1","AA2072","Lu, Lihua","<i>N</i>-{2-[2-(2-Cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide","Acta Crystallographica Section E","2012","68","10","o3005","","10.1107/S160053681203992X","","","0.71073","MoKα","","0.1599","0.0669","","","0.1327","0.1573","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236060","11.8187","0.001","10.2911","0.0009","16.229","0.0014","90","","90.584","0.002","90","","1973.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 7-methyl-2-((1-methyl-1<i>H</i>-pyrrol-2-yl)methylene)-3-oxo-5- phenyl-3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C22 H21 N3 O3 S -","- C22 H21 N3 O3 S -","- C88 H84 N12 O12 S4 -","4","1","AA2075","Hu, Jie; Wu, Xi-Xi; Shen, Xue-Qian; Tang, Long-Guang; Li, Xiao-Kun","Ethyl 7-methyl-2-((1-methyl-1<i>H</i>-pyrrol-2-yl)methylene)-3-oxo-5-phenyl-3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","11","o3099","","10.1107/S1600536812041748","","","0.71073","MoKα","","0.0449","0.0402","","","0.1053","0.1092","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236061","7.1095","0.0003","22.5186","0.0009","8.6486","0.0004","90","","105.946","0.001","90","","1331.33","0.1","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-Acetyl-3,5-dibromo-L-tyrosine hemihydrate","<i>N</i>-Acetyl-3,5-dibromo-<i>L</i>-tyrosine hemihydrate","","- C11 H12 Br2 N O4.5 -","- C11 H12 Br2 N O4.5 -","- C44 H48 Br8 N4 O18 -","4","2","BG2470","Bovonsombat, Pakorn; Snyder, John; Caruso, Francesco; Rossi, Miriam","<i>N</i>-Acetyl-3,5-dibromo-<small>L</small>-tyrosine hemihydrate","Acta Crystallographica Section E","2012","68","9","o2601","o2602","10.1107/S1600536812032928","","","0.71073","MoKα","","0.0266","0.0223","","","0.0467","0.0479","","","","","","0.918","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236062","5.1161","0.001","11.877","0.002","12.245","0.002","109.59","0.03","99.93","0.03","100.47","0.03","667.1","0.3","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","(1<i>E</i>,2<i>E</i>)-1,2-Bis(2,3-dihydro-1<i>H</i>-inden-1-ylidene)hydrazine","","- C18 H16 N2 -","- C18 H16 N2 -","- C36 H32 N4 -","2","1","BG2471","Imhof, Wolfgang; Wunderle, Joachim","(1<i>E</i>,2<i>E</i>)-1,2-Bis(2,3-dihydro-1<i>H</i>-inden-1-ylidene)hydrazine","Acta Crystallographica Section E","2012","68","9","o2741","","10.1107/S160053681203560X","","","0.71073","MoKα","","0.091","0.0475","","","0.0979","0.1137","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236063","5.8017","0.0012","8.0253","0.0016","12.879","0.003","77.99","0.03","88.42","0.03","85.16","0.03","584.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(4-nitrobenzoato- κ<i>O</i>^1^)cadmium","","- C20 H18 Cd N6 O10 -","- C20 H18 Cd N6 O10 -","- C20 H18 Cd N6 O10 -","1","0.5","BG2473","Mao, Yan-Li; Yu, Xiao-Ke; Lin, Jian-Li","Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(4-nitrobenzoato-κ<i>O</i>^1^)cadmium","Acta Crystallographica Section E","2012","68","9","m1149","","10.1107/S1600536812033739","","","0.71073","MoKα","","0.0317","0.0262","","","0.0597","0.0758","","","","","","1.235","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236064","10.0538","0.0003","11.0108","0.0003","17.9484","0.0005","90","","102.132","0.003","90","","1942.52","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyclohexylidene-<i>N</i>-methylhydrazinecarbothioamide","","- C8 H15 N3 S -","- C8 H15 N3 S -","- C64 H120 N24 S8 -","8","2","BG2476","Tayamon, Shahedeh; Mazlan, Nurul Ain; Ravoof, Thahira Begum S. A.; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","2-Cyclohexylidene-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","11","o3104","o3105","10.1107/S1600536812042018","","","1.5418","CuKα","","0.0378","0.0349","","0.0903","0.0879","0.0903","","","","","","0.9797","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236065","5.7428","0.0011","10.17","0.002","12.486","0.002","90","","102.09","0.03","90","","713.1","0.2","298","2","298","2","101.3","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-[2-(Phenylsulfonyl)ethyl]benzylamine","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","BG2477","Aubry, David A.; Fronczek, Frank R.; Watkins, Steven F.","<i>N</i>-[2-(Phenylsulfonyl)ethyl]benzylamine","Acta Crystallographica Section E","2012","68","10","o2940","","10.1107/S160053681203886X","","","0.71073","MoKα","","","0.0288","","","","0.0864","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236066","16.0585","0.0004","9.1527","0.0002","11.5866","0.0003","90","","132.915","0.002","90","","1247.2","0.07","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium hydrogen terephthalate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C48 H68 N4 O16 -","4","0.5","BG2478","Dolatyari, Leila; Shoghpour Bayraq, Samad; Sharifi, Sara; Ramazani, Ali; Morsali, Ali; Amiri Rudbari, Hadi","Tetramethylammonium hydrogen terephthalate","Acta Crystallographica Section E","2012","68","10","o3014","o3015","10.1107/S1600536812039487","","","0.71073","MoKα","","0.0563","0.0538","","","0.143","0.1465","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236067","7.4598","0.0003","19.3131","0.0008","24.4002","0.0009","90","","90","","90","","3515.4","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2-(Benzo[<i>d</i>]thiazol-2yl-methoxy)-5-chlorophenyl)(phenyl)methanone","","- C21 H14 Cl N O2 S -","- C21 H14 Cl N O2 S -","- C168 H112 Cl8 N8 O16 S8 -","8","1","BG2479","Venugopala, K. N.; Nayak, Susanta K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(2-(Benzo[<i>d</i>]thiazol-2yl-methoxy)-5-chlorophenyl)(phenyl)methanone","Acta Crystallographica Section E","2012","68","11","o3125","","10.1107/S1600536812041888","","","0.71073","MoKα","","0.076","0.0588","","","0.194","0.1997","","","","","","1.295","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236068","21.5786","0.0009","19.8596","0.0009","16.9192","0.0008","90","","106.695","0.0011","90","","6945","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","<i>trans</i>-Iodido(pyrazinyl-κ<i>C</i>^2^)bis(triphenylphosphane- κ<i>P</i>)palladium(II)","","","- C40 H33 I N2 P2 Pd -","- C40 H33 I N2 P2 Pd -","- C320 H264 I8 N16 P16 Pd8 -","8","2","BG2480","Tu, Yao-Jen; Wang, Hsiao-Fen; Lee, Gene-Hsiang; Yih, Kuang-Hway; Tang, Xiao-Yan","<i>trans</i>-Iodido(pyrazinyl-κ<i>C</i>^2^)bis(triphenylphosphane-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2012","68","11","m1419","m1420","10.1107/S1600536812043589","","","0.71073","MoKα","","0.075","0.0482","","","0.0905","0.1005","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236069","9.9826","0.0002","11.0994","0.0002","12.4453","0.0002","107.461","0.001","90.062","0.001","105.721","0.001","1261.1","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Hexakis(propylammonium) benzene-1,2,4,5-tetracarboxylate 2,5-dicarboxybenzene-1,4-carboxylate tetrahydrate","","- C38 H74 N6 O20 -","- C38 H74 N6 O20 -","- C38 H74 N6 O20 -","1","0.5","BH2430","Khorasani, Sanaz; Fernandes, Manuel A.","Hexakis(propylammonium) benzene-1,2,4,5-tetracarboxylate 2,5-dicarboxybenzene-1,4-carboxylate tetrahydrate","Acta Crystallographica Section E","2012","68","9","o2807","","10.1107/S1600536812036501","","","0.71073","MoKα","","0.0529","0.0401","","","0.1118","0.1183","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236070","8.0592","0.0001","7.6653","0.0001","9.7659","0.0002","90","","107.25","0.001","90","","576.164","0.016","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis(2-hydroxyethyl)ammonium 2-bromophenolate","bis(2-hydroxyethyl)ammonium 2-bromophenolate","","- C10 H16 Br N O3 -","- C10 H16 Br N O3 -","- C20 H32 Br2 N2 O6 -","2","1","BH2446","Padayachy, Kamentheren; Fernandes, Manuel A.; Marques, Helder M.; Lemmerer, Andreas; de Sousa, Alvaro S.","Bis(2-hydroxyethyl)ammonium 2-bromophenolate","Acta Crystallographica Section E","2012","68","9","o2610","","10.1107/S1600536812033752","","","0.71073","MoKα","","0.0199","0.0183","","","0.0417","0.0421","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236071","17.4505","0.0015","3.7875","0.0003","15.1669","0.0013","90","","90","","90","","1002.44","0.15","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","10-(Hydroxyimino)phenanthren-9-one","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","BH2448","Patel, Dinesh G.; Benedict, Jason B.","Tautomerism in 10-(hydroxyimino)phenanthren-9-one","Acta Crystallographica Section E","2012","68","10","o2871","","10.1107/S160053681203749X","","","0.71073","MoKα","","0.0398","0.0361","","","0.0968","0.0994","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236072","6.0415","0.0003","20.484","0.0011","11.8959","0.0007","90","","101.601","0.005","90","","1442.09","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzyl 3-[(<i>E</i>)-(furan-2-yl)methylidene]-2-methyldithiocarbazate","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","BH2449","Dey, Benu K.; Suarez, Sebastian; Ganguly, Biplab; Doctorovich, Fabio; Roy, Tapashi G.","Benzyl 3-[(<i>E</i>)-(furan-2-yl)methylidene]-2-methyldithiocarbazate","Acta Crystallographica Section E","2012","68","9","o2752","","10.1107/S1600536812035520","","","0.71073","MoKα","","0.0661","0.0397","","","","0.09","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236073","3.874","0.0008","17.366","0.004","15.71","0.003","90","","90.91","0.03","90","","1056.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Dibromoisophthalic acid monohydrate","","- C8 H6 Br2 O5 -","- C8 H6 Br2 O5 -","- C32 H24 Br8 O20 -","4","1","BH2450","Ye, Bao-fen","4,6-Dibromoisophthalic acid monohydrate","Acta Crystallographica Section E","2012","68","9","o2642","","10.1107/S1600536812033892","","","0.71073","MoKα","","0.1173","0.054","","","0.0762","0.0894","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236074","10.2227","0.0005","12.0375","0.0006","12.0941","0.0006","90","","90","","90","","1488.25","0.13","120.05","0.1","120.05","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,7<i>S</i>)-10-Ethyl-1,8,10,12- tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecan-10-ium iodide","","- C13 H25 I N4 -","- C13 H25 I N4 -","- C52 H100 I4 N16 -","4","1","BH2451","Rivera, Augusto; Osorio, Héctor Jairo; Sadat-Bernal, John; Eigner, Václav; Dušek, Michal","(2<i>S</i>,7<i>S</i>)-10-Ethyl-1,8,10,12-tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecan-10-ium iodide","Acta Crystallographica Section E","2012","68","10","o3041","o3042","10.1107/S1600536812040159","","","0.7107","MoKα","","0.018","0.017","","","0.0407","0.0412","","","","","","1.19","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236075","11.0258","0.0003","13.85","0.0004","16.0177","0.0004","74.074","0.001","89.742","0.001","77.291","0.001","2290.43","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Poly[dibutylbis(μ~2~-hydrogen phenylphosphonato)stannate(IV)]","Poly[tetrabutyltetrakis(μ~2~-hydrogen phenylphosphonato)ditin(IV)","","- C40 H60 O12 P4 Sn2 -","- C40 H60 O12 P4 Sn2 -","- C80 H120 O24 P8 Sn4 -","2","1","BH2452","Sarr, Modou; Diasse-Sarr, Aminata; Diop, Libasse; Molloy, Kieran C.; Kociok-Kohn, Gabriele","Poly[tetrabutyltetrakis(μ~2~-hydrogen phenylphosphonato)ditin(IV)]","Acta Crystallographica Section E","2012","68","11","m1334","","10.1107/S1600536812040834","","","0.71073","MoKα","","0.0724","0.0526","","","0.1288","0.142","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236076","10.54","0.002","12.927","0.003","13.751","0.003","90","","109.74","0.03","90","","1763.5","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-1-methyl-6-oxo-1,6- dihydropyrimidine-4-carboxylate","","- C18 H21 N3 O6 -","- C18 H21 N3 O6 -","- C72 H84 N12 O24 -","4","1","BH2453","Shang, Zhenhua; Tao, Xiao; Ha, Jing; Yu, Fuda","Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate","Acta Crystallographica Section E","2012","68","11","o3175","","10.1107/S160053681204233X","","","0.71073","MoKα","","0.0494","0.0345","","","0.0872","0.0928","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236077","7.0284","0.0014","7.5836","0.0015","13.276","0.003","104.74","0.03","91.19","0.03","116.03","0.03","607.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquacopper(II)]-μ-quinoline-2,3-dicarboxylato- κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^] monohydrate]","","- C11 H11 Cu N O7 -","- C11 H11 Cu N O7 -","- C22 H22 Cu2 N2 O14 -","2","1","BH2454","Xia, Qiao-Hua; Guo, Zhong-Fu; Liu, Li; Wang, Zhi-kun; Li, Bing","<i>catena</i>-Poly[[[diaquacopper(II)]-μ-quinoline-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^] monohydrate]","Acta Crystallographica Section E","2012","68","11","m1395","","10.1107/S1600536812043206","","","0.71073","MoKα","","0.0432","0.037","","","0.0976","0.1039","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236078","12.589","0.003","8.1026","0.0017","25.231","0.006","90","","105.174","0.002","90","","2483.9","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[chlorido[1-(3-nitrophenyl)-2- (triphenylphosphoranylidene)ethanone-κ<i>C</i>^2^]mercury(II)]-μ-chlorido]","","- C26 H20 Cl2 Hg N O3 P -","- C26 H20 Cl2 Hg N O3 P -","- C104 H80 Cl8 Hg4 N4 O12 P4 -","4","1","BH2457","Dadrass, Alireza; Khalafy, Jabbar; Rahchamani, Hojjatollah; Nasri Koureh, Hassan; Yaghoobnejad Asl, Hooman","<i>catena</i>-Poly[[chlorido[1-(3-nitrophenyl)-2-(triphenylphosphoranylidene)ethanone-κ<i>C</i>^2^]mercury(II)]-μ-chlorido]","Acta Crystallographica Section E","2012","68","11","m1400","m1401","10.1107/S1600536812043073","","","0.71073","MoKα","","0.0336","0.0253","","","0.0634","0.0667","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236079","14.929","0.002","5.9086","0.0008","17.071","0.003","90","","104.03","0.014","90","","1460.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea","","- C16 H12 N2 O S2 -","- C16 H12 N2 O S2 -","- C64 H48 N8 O4 S8 -","4","1","BQ2371","Singh, Durga P.; Pratap, Seema; Gupta, Sushil K.; Butcher, Ray J.","1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea","Acta Crystallographica Section E","2012","68","10","o2882","o2883","10.1107/S1600536812035350","","","0.71073","MoKα","","0.0956","0.0492","","","0.1104","0.1651","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236080","6.7337","0.0006","18.123","0.0014","9.8216","0.0008","90","","104.918","0.003","90","","1158.18","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylphthalamide","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","2","BQ2372","Hamada, Adel; Boudinar, Yamina; Beghidja, Adel; Boutebdja, Mehdi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylphthalamide","Acta Crystallographica Section E","2012","68","9","o2710","","10.1107/S1600536812035167","","","0.71073","MoKα","","0.0552","0.0488","","","0.1183","0.1235","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236081","15.08","0.0004","14.0134","0.0004","8.2419","0.0002","90","","94.609","0.002","90","","1736.06","0.08","105","2","105","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-butoxy-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","BQ2373","Dilek, Nefise; Gunes, Bilal; Gup, Ramazan","4-Butoxy-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","9","o2763","","10.1107/S1600536812035921","","","0.71073","MoKα","","0.0435","0.0389","","","0.0975","0.1011","","","","","","0.934","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236082","9.8768","0.0003","9.4403","0.0003","12.5157","0.0003","90","","90.24","0.002","90","","1166.95","0.06","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate","","- C8 H7 Cl3 N2 O3 -","- C8 H7 Cl3 N2 O3 -","- C32 H28 Cl12 N8 O12 -","4","2","BQ2374","Perdih, Franc","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate","Acta Crystallographica Section E","2012","68","9","o2733","","10.1107/S1600536812035507","","","0.71073","MoKα","","0.0781","0.0686","","","","0.1987","","","","","","1.036","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2236083","11.928","0.0004","26.1702","0.0014","6.9656","0.0003","90","","90","","90","","2174.37","0.17","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4-Bis(4-ethoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H30 N O3 -","- C25 H30 N O3 -","- C100 H120 N4 O12 -","4","0.5","BQ2375","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(4-ethoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","10","o2999","","10.1107/S1600536812039840","","","0.71073","MoKα","","0.0686","0.0471","","","0.1209","0.1328","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236084","7.0245","0.0014","7.3436","0.0015","11.547","0.002","86.35","0.03","77.78","0.03","64.55","0.03","525.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(6-chloropyridine-3-carboxylato-κ<i>O</i>)nickel(II) tetrahydrate","","- C12 H22 Cl2 N2 Ni O12 -","- C12 H22 Cl2 N2 Ni O12 -","- C12 H22 Cl2 N2 Ni O12 -","1","0.5","BQ2376","Xia, Qiao-Hua; Guo, Zhong-Fu; Liu, Li; Lv, Jian-Quan; Li, Bing","Tetraaquabis(6-chloropyridine-3-carboxylato-κ<i>O</i>)nickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","11","m1393","","10.1107/S160053681204322X","","","0.71073","MoKα","","0.0309","0.0277","","","0.0737","0.0762","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236085","11.5421","0.0002","17.3191","0.0003","26.6667","0.0005","90","","90","","90","","5330.64","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylphenyl quinoline-2-carboxylate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C272 H208 N16 O32 -","16","2","BQ2377","Fazal, E.; Jasinski, Jerry P.; Krauss, Shannon T.; Sudha, B. S.; Yathirajan, H. S.","4-Methylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","11","o3231","o3232","10.1107/S1600536812044030","","","1.54184","CuKα","","0.0561","0.0442","","","0.1141","0.1239","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236086","12.6481","0.0009","11.6659","0.0006","10.4922","0.0007","90","","105.891","0.007","90","","1488.98","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis{3-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-5-(pyridin-2-yl- κ<i>N</i>)-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}zinc","","- C32 H26 N12 O2 Zn -","- C32 H26 N12 O2 Zn -","- C64 H52 N24 O4 Zn2 -","2","0.5","BR2206","Wang, You-Song; Qiu, Guang-Mei; Wang, Cui-Juan","Diaquabis{3-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-5-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}zinc","Acta Crystallographica Section E","2012","68","9","m1182","m1183","10.1107/S1600536812035428","","","0.71073","MoKα","","0.0887","0.049","","","0.0907","0.1087","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236087","10.3915","0.0001","10.3915","0.0001","13.6273","0.0002","90","","90","","120","","1274.37","0.03","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","hexalead(II) nonacobalt(II) pentatellurate(VI)","","- Co9 O30 Pb6 Te5 -","- Co9 O30 Pb6 Te5 -","- Co18 O60 Pb12 Te10 -","2","0.166667","BR2208","Artner, Christine; Weil, Matthias","Pb~6~Co~9~(TeO~6~)~5~","Acta Crystallographica Section E","2012","68","9","i71","","10.1107/S1600536812037038","","","0.71073","MoKα","","0.0335","0.0246","","","0.0545","0.0559","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236088","4.2129","0.0002","25.6317","0.0011","6.0385","0.0002","90","","90","","90","","652.06","0.05","100","2","100","","","","","","","","","3","C m c m","-C 2c 2","63","","Caesium diuranium hexatelluride","","- Cs Te6 U2 -","- Cs Te6 U2 -","- Cs2 Te12 U4 -","2","0.125","BR2209","Mesbah, Adel; Ibers, James A.","Caesium diuranium hexatelluride","Acta Crystallographica Section E","2012","68","10","i76","","10.1107/S1600536812038512","","","0.71073","MoKα","","0.0232","0.0216","","","0.0528","0.0533","","","","","","1.222","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236089","14.4779","0.0005","28.57","0.0015","8.0854","0.0003","90","","90","","90","","3344.4","0.2","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc","","- C16 H18 N2 O4 Zn -","- C16 H18 N2 O4 Zn -","- C128 H144 N16 O32 Zn8 -","8","0.5","BR2212","Harvey, Miguel A.; Suarez, Sebastian A.; Ibañez, Andres; Doctorovich, Fabio; Baggio, Ricardo","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc","Acta Crystallographica Section E","2012","68","11","m1377","m1378","10.1107/S1600536812042699","","","0.71073","MoKα","","0.0281","0.0255","","","","0.068","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236090","8.2831","0.0002","13.1532","0.0004","11.5255","0.0003","90","","104.128","0.003","90","","1217.71","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","O,O'-2,2,4-trimethyl-1,3-pentanedithiophosphoric acid","4-Isopropyl-5,5-dimethyl-2-sulfanyl-1,3,2-dioxaphosphinane 2-sulfide","","- C8 H17 O2 P S2 -","- C8 H17 O2 P S2 -","- C32 H68 O8 P4 S8 -","4","1","BT5962","Srivastava, Sanjay K.; Sharma, Pooja; Gupta, Sushil K.; Butcher, Ray J.","4-Isopropyl-5,5-dimethyl-2-sulfanyl-1,3,2-dioxaphosphinane 2-sulfide","Acta Crystallographica Section E","2012","68","9","o2667","","10.1107/S1600536812030188","","","0.71073","MoKα","","0.054","0.0383","","","0.0862","0.0936","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236091","15.7324","0.0006","10.7988","0.0005","20.4877","0.0011","90","","90","","90","","3480.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-[2-(3,4-Dimethoxybenzoyl)benzoyl]thiophene","(3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C160 H128 O32 S8 -","8","1","BT5963","Ganesh, G.; Sivasakthikumaran, R.; Govindan, E.; Krishnan, A. K. Mohana; SubbiahPandi, A.","(3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","Acta Crystallographica Section E","2012","68","10","o2844","","10.1107/S1600536812037336","","","0.71073","MoKα","","0.0689","0.0397","","","0.0927","0.1074","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236092","6.9433","0.0003","12.0112","0.0004","15.2129","0.0005","90","","94.129","0.003","90","","1265.42","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)benzamide","","- C17 H11 N O3 -","- C17 H11 N O3 -","- C68 H44 N4 O12 -","4","1","BT5965","Brandy, Yakini; Butcher, Ray J.; Bakare, Oladapo","<i>N</i>-(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)benzamide","Acta Crystallographica Section E","2012","68","9","o2775","o2776","10.1107/S1600536812034150","","","1.54178","CuKα","","0.0613","0.0516","","","0.1358","0.1479","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236093","13.3314","0.0011","13.5952","0.0012","10.6649","0.0009","90","","90","","90","","1932.9","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Di-μ-chlorido-μ-(dimethyl sulfide)-bis{dichlorido[(dimethyl selenide-κ<i>Se</i>)(dimethyl sulfide-κ<i>S</i>)(0.65/0.35)]niobium(III)}(<i>Nb</i>—<i>Nb</i>)","","- C6 H18 Cl6 Nb2 S1.7 Se1.3 -","- C6 H18.0024 Cl6 Nb2 S1.706 Se1.294 -","- C24 H72.0096 Cl24 Nb8 S6.824 Se5.176 -","4","0.5","BT5971","Matsuura, Masatoshi; Fujihara, Takashi; Nagasawa, Akira; Ng, Seik Weng","Di-μ-chlorido-μ-(dimethyl sulfide)-bis{dichlorido[(dimethyl selenide-κ<i>Se</i>)(dimethyl sulfide-κ<i>S</i>)(0.65/0.35)]niobium(III)}(<i>Nb</i>—<i>Nb</i>)","Acta Crystallographica Section E","2012","68","9","m1166","","10.1107/S1600536812033673","","","0.71073","MoKα","","0.0271","0.023","","","0.0546","0.0567","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236094","28.5467","0.0012","5.5321","0.0002","19.4158","0.0008","90","","101.6","0.002","90","","3003.6","0.2","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[<i>N</i>-benzyl-<i>N</i>-(2-phenylethyl)dithiocarbamato- κ^2^<i>S</i>,<i>S</i>']lead(II)","","- C32 H32 N2 Pb S4 -","- C32 H32 N2 Pb S4 -","- C128 H128 N8 Pb4 S16 -","4","0.5","BT5972","Sathiyaraj, E.; Thirumaran, S.; Selvanayagam, S.","Bis[<i>N</i>-benzyl-<i>N</i>-(2-phenylethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']lead(II)","Acta Crystallographica Section E","2012","68","9","m1217","","10.1107/S1600536812036161","","","0.71073","MoKα","","0.0417","0.0278","","","0.0583","0.0622","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236095","10.7058","0.0016","7.2541","0.0011","22.091","0.003","90","","90.971","0.002","90","","1715.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-bis(2-methylphenyl)phosphoric triamide monohydrate","","- C16 H24 N3 O2 P -","- C16 H24 N3 O2 P -","- C64 H96 N12 O8 P4 -","4","1","BT5974","Eslami, Farnaz; Pourayoubi, Mehrdad; Yousefi, Mohammad; Rheingold, Arnold L.; Golen, James A.","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-bis(2-methylphenyl)phosphoric triamide monohydrate","Acta Crystallographica Section E","2012","68","9","o2650","","10.1107/S1600536812033995","","","0.71073","MoKα","","0.0595","0.0429","","","0.103","0.1151","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236096","13.014","0.002","13.014","0.002","21.167","0.003","90","","90","","90","","3584.9","0.9","100","0.5","100","0.5","101.3","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(1<i>R</i>,4<i>R</i>,5a<i>S</i>,7<i>S</i>,9a<i>S</i>)-7,9a-Dimethyl- 6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a- decahydronaphtho[1,2-<i>c</i>]furan-1,4-diyl diacetate","","- C19 H24 O6 -","- C19 H24 O6 -","- C152 H192 O48 -","8","1","BT5979","Mudyiwa, Mercy; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","(1<i>R</i>,4<i>R</i>,5a<i>S</i>,7<i>S</i>,9a<i>S</i>)-7,9a-Dimethyl-6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-<i>c</i>]furan-1,4-diyl diacetate","Acta Crystallographica Section E","2012","68","9","o2612","o2613","10.1107/S1600536812033636","","","0.71073","MoKα","","","0.0358","","","","0.0923","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236097","10.2487","0.0005","10.4643","0.0005","10.5489","0.0005","109.238","0.001","111.401","0.001","98.0304","0.0011","950.03","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluorophenyl)-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1<i>H</i>- pyrazol-5-amine","","- C20 H12 Cl3 F N4 -","- C20 H12 Cl3 F N4 -","- C40 H24 Cl6 F2 N8 -","2","1","BT5984","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-(4-Fluorophenyl)-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2012","68","9","o2603","","10.1107/S1600536812033569","","","0.71073","MoKα","","0.0391","0.0313","","","0.0745","0.0791","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236098","11.3835","0.0009","16.984","0.0013","18.4766","0.0014","90","","90","","90","","3572.2","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3- dicarbonitrile","","- C20 H18 Cl N3 -","- C20 H18 Cl N3 -","- C160 H144 Cl8 N24 -","8","1","BT5985","Rajni Swamy, V.; Srinivasan, N.; Ranjith Kumar, R.; Krishnakumar, R.V.","2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2692","","10.1107/S1600536812034861","","","0.71073","MoKα","","0.0554","0.0445","","","0.1264","0.1365","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236099","8.5209","0.0004","7.5959","0.0004","23.7877","0.0013","90","","99.611","0.003","90","","1518.02","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethoxy-2-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","BT5986","Dinakaran, Paul M.; Kalainathan, S.; Srinivasan, T.; Velmurugan, D.","1-Ethoxy-2-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene","Acta Crystallographica Section E","2012","68","9","o2774","","10.1107/S1600536812034320","","","0.71073","MoKα","","0.061","0.0448","","","0.1223","0.138","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236100","9.0292","0.0006","9.6498","0.0007","15.878","0.001","90","","103.763","0.008","90","","1343.73","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Methylphenyl)-2-nitrobenzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","BT5988","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Methylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2627","","10.1107/S1600536812034009","","","0.71073","MoKα","","0.0499","0.0406","","","0.1013","0.1076","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236101","6.553","0.0002","15.8719","0.0005","14.5804","0.0004","90","","91.147","0.001","90","","1516.18","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[2-(1-Methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazin-4-ylidene)hydrazin-1-ylidene]methyl}phenol","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","BT5989","Shafiq, Muhammad; Harrison, William T. A.; Khan, Islam Ullah; Bukhari, Iftikhar Hussain; Bokhari, Tanveer Hussain","2-{[2-(1-Methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazin-4-ylidene)hydrazin-1-ylidene]methyl}phenol","Acta Crystallographica Section E","2012","68","9","o2643","","10.1107/S1600536812034101","","","0.71073","MoKα","","0.0512","0.0385","","","0.1027","0.1141","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236102","9.2409","0.0007","15.1531","0.0009","10.5376","0.0008","90","","107.775","0.008","90","","1405.12","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methylphenyl)-2-nitrobenzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","BT5990","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Methylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2649","","10.1107/S160053681203423X","","","0.71073","MoKα","","0.0734","0.0525","","","0.1036","0.1139","","","","","","1.21","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236103","10.9155","0.0002","9.4056","0.0002","25.0422","0.0005","90","","90","","90","","2571","0.09","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(<i>E</i>)-(4-Ethoxyphenyl)iminomethyl]phenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","BT5991","Khalaji, Aliakbar Dehno; Fejfarová, Karla; Dušek, Michal","4-[(<i>E</i>)-(4-Ethoxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2646","","10.1107/S1600536812034253","","","1.5418","CuKα","","0.0339","0.0306","","","0.0998","0.1033","","","","","","1.71","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236104","13.893","0.003","11.771","0.003","22.191","0.005","90","","91.401","0.004","90","","3627.9","1.5","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl(2-hydroxyethyl)azanium 4-[(1,3-thiazol-2-ylazanidyl)sulfonyl]aniline","","- C15 H24 N4 O3 S2 -","- C15 H24 N4 O3 S2 -","- C120 H192 N32 O24 S16 -","8","2","BT5992","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","<i>tert</i>-Butyl(2-hydroxyethyl)azanium 4-[(1,3-thiazol-2-ylazanidyl)sulfonyl]aniline","Acta Crystallographica Section E","2012","68","9","o2662","o2663","10.1107/S1600536812034459","","","0.71073","MoKα","","0.064","0.0549","","","0.1266","0.1364","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236105","6.2467","0.0012","10.394","0.002","11.971","0.002","90","","92.42","0.03","90","","776.6","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-iodobenzylidene]-4- methylbenzenesulfonohydrazide","","- C14 H13 I N2 O3 S -","- C14 H13 I N2 O3 S -","- C28 H26 I2 N4 O6 S2 -","2","1","BT5993","Ghorbanloo, Massomeh; Notash, Behrouz","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-iodobenzylidene]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2012","68","9","o2760","","10.1107/S1600536812035738","","","0.71073","MoKα","","0.0632","0.0463","","","0.1086","0.1144","","","","","","0.916","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236106","8.3861","0.0017","9.5795","0.0019","12.275","0.003","90.446","0.003","97.85","0.003","101.688","0.003","956","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-<i>N</i>'-(5-bromo-3-methoxy-2- oxidobenzylidene)-2-hydroxybenzohydrazidato]bis[(<i>N</i>,<i>N</i>- dimethylformamide)copper(II)]","","- C36 H36 Br2 Cu2 N6 O10 -","- C36 H36 Br2 Cu2 N6 O10 -","- C36 H36 Br2 Cu2 N6 O10 -","1","0.5","BT5995","Zhao, Shunsheng; Li, Lanlan; Liu, Xiangrong; Feng, Weixu; Lü, Xingqiang","Bis[μ-<i>N</i>'-(5-bromo-3-methoxy-2-oxidobenzylidene)-2-hydroxybenzohydrazidato]bis[(<i>N</i>,<i>N</i>-dimethylformamide)copper(II)]","Acta Crystallographica Section E","2012","68","9","m1216","","10.1107/S1600536812036100","","","0.71073","MoKα","","0.0678","0.04","","","0.1094","0.1229","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236107","16.8176","0.0009","8.1654","0.0004","18.3841","0.0009","90","","113.303","0.006","90","","2318.6","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[7-(3,5-Dibromo-2-hydroxyphenyl)-6-ethoxycarbonyl-2-oxo-5<i>H</i>-2,3,6,7- tetrahydrothiopyrano[2,3-<i>d</i>][1,3]thiazol-6-yl]acetic acid ethanol monosolvate","","- C19 H21 Br2 N O7 S2 -","- C19 H21 Br2 N O7 S2 -","- C76 H84 Br8 N4 O28 S8 -","4","1","BT5997","Kowiel, M.; Zelisko, N.; Atamanyuk, D.; Lesyk, R.; Gzella, A. K.","2-[7-(3,5-Dibromo-2-hydroxyphenyl)-6-ethoxycarbonyl-2-oxo-5<i>H</i>-2,3,6,7-tetrahydrothiopyrano[2,3-<i>d</i>][1,3]thiazol-6-yl]acetic acid ethanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2721","o2722","10.1107/S1600536812035325","","","0.71073","MoKα","","0.035","0.0268","","","0.0722","0.0734","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236108","5.3084","0.0003","9.5507","0.0007","31.315","0.002","90","","90","","90","","1587.64","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-benzenesulfonamido-4-methylpentanoate","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","BT5998","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Khalid, Savera; Asiri, Abdullah M.","Ethyl 2-benzenesulfonamido-4-methylpentanoate","Acta Crystallographica Section E","2012","68","10","o2874","","10.1107/S1600536812037658","","","0.71073","MoKα","","0.0458","0.0385","","","0.0932","0.0978","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236109","6.8715","0.0005","12.0783","0.0007","14.3772","0.001","112.85","0.006","98.56","0.005","97.48","0.005","1063.97","0.14","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","<i>meso</i>-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate","","- C51 H44 N4 O10 -","- C51 H44 N4 O10 -","- C51 H44 N4 O10 -","1","0.5","BT5999","Leonarska, Agnieszka; Zubko, Maciej; Kuś, Piotr; Kusz, Joachim; Ratuszna, Alicja","<i>meso</i>-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate","Acta Crystallographica Section E","2012","68","9","o2797","o2798","10.1107/S1600536812036495","","","1.54184","CuKα","","0.0473","0.0383","","","0.098","0.1042","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236110","13.0069","0.0011","10.0775","0.0009","22.408","0.002","90","","90","","90","","2937.2","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C112 H104 Cl16 N8 O16 S8 -","8","1","BT6820","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","2,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2748","","10.1107/S1600536812035787","","","0.71073","MoKα","","0.058","0.0357","","","0.0806","0.0901","","","","","","0.98","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236111","11.2139","0.0004","10.4347","0.0004","22.1753","0.0009","90","","94.569","0.001","90","","2586.57","0.17","90","0.5","90","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Anilino-5,7-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine-3-carbonitrile","","- C15 H13 N5 -","- C15 H13 N5 -","- C120 H104 N40 -","8","2","BT6821","Mohamed, Shaaban K.; Akkurt, Mehmet; Fronczek, Frank R.; El-Remaily, Mahmoud A. A.; Abdelhamid, Antar A.","2-Anilino-5,7-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine-3-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2782","o2783","10.1107/S1600536812035878","","","0.71073","MoKα","","0.0636","0.0423","","","0.1034","0.1156","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236112","9.6019","0.0007","13.0688","0.001","9.6412","0.0007","90","","103.853","0.001","90","","1174.64","0.15","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(4-Chlorophenyl)-4-nitrobenzamide","<i>N</i>-(4-Chlorophenyl)-4-nitrobenzamide","","- C13 H9 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","BT6822","Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Butt, M.Saeed; Hussain, Rizwan","<i>N</i>-(4-Chlorophenyl)-4-nitrobenzamide","Acta Crystallographica Section E","2012","68","9","o2768","","10.1107/S1600536812036082","","","0.71073","MoKα","","0.0459","0.0422","","","0.1128","0.1158","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236113","16.8415","0.0009","14.1497","0.0007","18.6919","0.0008","90","","90","","90","","4454.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)","","- C25 H23 Cl2 P Ru -","- C25 H23 Cl2 P Ru -","- C200 H184 Cl16 P8 Ru8 -","8","1","BT6823","Muller, Alfred; Davis, Wade L.","(η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)","Acta Crystallographica Section E","2012","68","10","m1232","m1233","10.1107/S1600536812037154","","","0.71073","MoKα","","0.0586","0.0316","","","0.0601","0.0685","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236114","14.106","0.001","7.0082","0.0005","14.854","0.002","90","","110.84","0.01","90","","1372.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Methylphenyl)-4-nitrobenzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","BT6824","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Methylphenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2766","","10.1107/S1600536812036331","","","0.71073","MoKα","","0.0626","0.0462","","","0.1071","0.1194","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236115","11.5966","0.0003","11.8658","0.0003","20.9383","0.0006","90","","90.616","0.002","90","","2881.01","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Ferrocen-1-ylcarbonyl)-1-methyl-4-(4-methylphenyl)spiro[pyrrolidine-2,11'- indeno[1,2-<i>b</i>]quinoxaline]","","- C37 H31 Fe N3 O -","- C37 H31 Fe N3 O -","- C148 H124 Fe4 N12 O4 -","4","1","BT6825","Vijayakumar, B.; Gavaskar, D.; Srinivasan, T.; Raghunathan, R.; Velmurugan, D.","3-(Ferrocen-1-ylcarbonyl)-1-methyl-4-(4-methylphenyl)spiro[pyrrolidine-2,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2012","68","10","m1274","","10.1107/S1600536812036951","","","0.71073","MoKα","","0.0582","0.0372","","","0.0985","0.1102","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236116","7.1777","0.0014","9.1672","0.0018","14.546","0.003","90","","101.92","0.03","90","","936.5","0.3","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Di-μ-chlorido-bis[(2-amino-4-methylpyridine)chloridomercury(II)]","","- C12 H16 Cl4 Hg2 N4 -","- C12 H16 Cl4 Hg2 N4 -","- C24 H32 Cl8 Hg4 N8 -","2","0.5","BT6826","Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz","Di-μ-chlorido-bis[(2-amino-4-methylpyridine-κ<i>N</i>)chloridomercury(II)]","Acta Crystallographica Section E","2012","68","10","m1300","m1301","10.1107/S1600536812039803","","","0.71073","MoKα","","0.0621","0.0459","","","0.1051","0.1109","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236117","7.5013","0.0004","9.0509","0.0005","9.3452","0.0005","75.253","0.002","80.985","0.002","72.047","0.002","581.59","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Carboxyethyl)-5-ethyl-2-methylpyridinium chloride","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C22 H32 Cl2 N2 O4 -","2","1","BT6827","Sabari, V.; Kalaiselvi, G.; Balasubramanian, S.; Aravindhan, S.","1-(2-Carboxyethyl)-5-ethyl-2-methylpyridinium chloride","Acta Crystallographica Section E","2012","68","10","o2937","","10.1107/S1600536812038809","","","0.71073","MoKα","","0.04","0.0327","","","0.0932","0.1018","","","","","","0.825","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236118","8.0846","0.0003","9.0149","0.0004","11.8995","0.0005","77.429","0.002","73.918","0.002","70.236","0.002","776.82","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,6-Dibromo-4-formylphenyl 3-phenylprop-2-enoate","","- C16 H10 Br2 O3 -","- C16 H10 Br2 O3 -","- C32 H20 Br4 O6 -","2","1","BT6828","Suresh Kumar, C.; Jagadeesan, G.; Dhamodaran, S.; Ananth, Karthik; Aravindhan, S.","2,6-Dibromo-4-formylphenyl 3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","10","o2873","","10.1107/S1600536812037427","","","0.71073","MoKα","","0.0819","0.0411","","","0.0909","0.1065","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236119","10.1221","0.001","17.489","0.0017","17.7421","0.0018","90","","98.15","0.006","90","","3109.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-(4-Chlorobenzoyl)-2,3-diphenylisoxazolidin-5-yl]-1-(4-methoxyphenyl)- 3-phenylazetidin-2-one","","- C38 H31 Cl N2 O4 -","- C38 H31 Cl N2 O4 -","- C152 H124 Cl4 N8 O16 -","4","1","BT6829","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Prasanna, Ramanathan; Raghunathan, Raghavachary; Velmurugan, Devadasan","4-[4-(4-Chlorobenzoyl)-2,3-diphenylisoxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one","Acta Crystallographica Section E","2012","68","10","o2914","","10.1107/S1600536812038123","","","0.71073","MoKα","","0.096","0.0438","","","0.1035","0.1316","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236120","10.4105","0.0003","9.6218","0.0003","17.8497","0.0005","90","","106.113","0.002","90","","1717.73","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2-Benzoylphenyl)(naphthalen-1-yl)methanone","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","BT6830","Ganesh, G.; Sivasakthikumaran, R.; Govindan, E.; Krishnan, A. K. Mohana; SubbiahPandi, A.","(2-Benzoylphenyl)(naphthalen-1-yl)methanone","Acta Crystallographica Section E","2012","68","10","o3012","","10.1107/S1600536812039098","","","0.71073","MoKα","","0.0648","0.0426","","","0.1163","0.1353","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236121","6.616","0.007","9.261","0.009","25.12","0.03","90","","90","","90","","1539","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>*,3<i>S</i>*,3a<i>S</i>*,6<i>S</i>*,7a<i>R</i>*)-3-Hydroxy- 2-[(2<i>R</i>*,3<i>S</i>*)-3-isopropyloxiran-2-yl]-3,6-dimethyl- 3,3a,5,6,7,7a-hexahydro-1-benzofuran-4(2<i>H</i>)-one","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","BT6831","Ding, Mingruo; Zhang, Qiaoyin; Chen, Lei; Huang, Nianyu; Wang, Junzhi","(2<i>S</i>*,3<i>S</i>*,3a<i>S</i>*,6<i>S</i>*,7a<i>R</i>*)-3-Hydroxy-2-[(2<i>R</i>*,3<i>S</i>*)-3-isopropyloxiran-2-yl]-3,6-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-4(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","10","o2949","","10.1107/S1600536812038470","","","0.71073","MoKα","","0.0833","0.0665","","","0.17","0.1853","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236122","5.1948","0.0004","12.8089","0.0009","18.682","0.001","90","","93.419","0.007","90","","1240.88","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Nitro-<i>N</i>-phenylbenzenesulfonamide","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C48 H40 N8 O16 S4 -","4","1","BT6832","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","4-Nitro-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2872","","10.1107/S1600536812037798","","","0.71073","MoKα","","0.0431","0.0366","","","0.0809","0.0859","","","","","","1.204","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236123","8.0626","0.0003","12.8693","0.0005","13.9968","0.0006","97.425","0.003","102.878","0.003","105.391","0.003","1337.31","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,1,2,2-Tetrakis[2,4-dichloro-6-(diethoxymethyl)phenoxymethyl]ethene","","- C50 H60 Cl8 O12 -","- C50 H60 Cl8 O12 -","- C50 H60 Cl8 O12 -","1","0.5","BT6833","Köysal, Yavuz; Öztürk Yildirim, Sema; Butcher, Ray J.; Düğdü, Esra","1,1,2,2-Tetrakis[2,4-dichloro-6-(diethoxymethyl)phenoxymethyl]ethene","Acta Crystallographica Section E","2012","68","10","o2993","o2994","10.1107/S1600536812038299","","","0.71073","MoKα","","0.047","0.038","","","0.0848","0.0895","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236124","17.2328","0.0012","8.1885","0.0006","23.7049","0.0017","90","","90","","90","","3345","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(5-Iodothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 I O4 S -","- C16 H15 I O4 S -","- C128 H120 I8 O32 S8 -","8","1","BT6834","Viswanathan, Vijayan; Srinivasan, Thothadri; Thirunarayanan, Ayyavu; Rajakumar, Perumal; Velmurugan, Devadasan","(<i>E</i>)-1-(5-Iodothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2921","","10.1107/S1600536812038226","","","0.71073","MoKα","","0.0369","0.0252","","","0.0576","0.0622","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236125","8.9683","0.0004","10.7916","0.0005","11.7219","0.0005","110.174","0.002","106.267","0.002","91.991","0.003","1011.32","0.08","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","2-(3,4-Dimethoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","BT6835","Mohamed, Shaaban K.; Akkurt, Mehmet; Fronczek, Frank R.; Marzouk, Adel A. E.; Abdelhamid, Antar A.","2-(3,4-Dimethoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","10","o2979","o2980","10.1107/S1600536812039566","","","0.71073","MoKα","","0.0752","0.0477","","","0.112","0.1274","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236126","9.5136","0.0007","10.7582","0.0007","11.6674","0.001","67.142","0.008","68.242","0.009","76.472","0.008","1016.32","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(4-<i>tert</i>-butylpyridine- κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cadmium","","- C38 H52 Cd N6 S2 -","- C38 H52 Cd N6 S2 -","- C38 H52 Cd N6 S2 -","1","0.5","BT6836","Reinert, Thorben; Jess, Inke; Näther, Christian","Bis(3-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(4-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cadmium","Acta Crystallographica Section E","2012","68","11","m1372","","10.1107/S1600536812040081","","","0.71073","MoKα","","0.0637","0.0509","","","0.1194","0.1266","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236127","5.7778","0.0002","16.1804","0.0006","13.0855","0.0006","90","","94.685","0.003","90","","1219.24","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-1,3-thiocyanato-κ<i>N</i>,<i>S</i>)(isonicotinato- κ<i>N</i>,<i>O</i>)(ethanol-κ<i>O</i>)cadmium(II)]","","- C9 H10 Cd N2 O3 S -","- C9 H10 Cd N2 O3 S -","- C36 H40 Cd4 N8 O12 S4 -","4","1","BT6838","Neumann, Tristan; Werner, Julia; Jess, Inke; Näther, Christian","Poly[(μ-1,3-thiocyanato-κ<i>N</i>,<i>S</i>)(isonicotinato-κ<i>N</i>,<i>O</i>)(ethanol-κ<i>O</i>)cadmium(II)]","Acta Crystallographica Section E","2012","68","11","m1338","","10.1107/S1600536812040913","","","0.71073","MoKα","","0.034","0.0259","","","0.0581","0.0607","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236128","29.5164","0.0012","9.1388","0.0002","23.3008","0.0009","90","","124.803","0.003","90","","5161","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-[(3<i>RS</i>,4<i>SR</i>)-1-Benzyl-4-methylpiperidin-3-yl]-1-(4- methylphenylsulfonyl)-5-nitro-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridin-4-amine","","- C27 H29 N5 O4 S -","- C27 H29 N5 O4 S -","- C216 H232 N40 O32 S8 -","8","1","BT6839","Pfaffenrot, Ellen; Schollmeyer, Dieter; Laufer, Stefan","<i>N</i>-[(3<i>RS</i>,4<i>SR</i>)-1-Benzyl-4-methylpiperidin-3-yl]-1-(4-methylphenylsulfonyl)-5-nitro-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridin-4-amine","Acta Crystallographica Section E","2012","68","10","o3000","","10.1107/S160053681203961X","","","0.71073","MoKα","","0.0426","0.0352","","","0.0959","0.1006","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236129","17.3606","0.0019","10.0422","0.001","22.995","0.002","90","","100.965","0.003","90","","3935.7","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[(3<i>RS</i>,4<i>RS</i>)-1-Benzyl-4-methylpiperidin-3-yl]- 1,6-dihydroimidazo[4,5-<i>d</i>]pyrrolo[2,3-<i>b</i>]pyridine hemihydrate","","- C21 H24 N5 O0.5 -","- C21 H24 N5 O0.5 -","- C168 H192 N40 O4 -","8","1","BT6840","Pfaffenrot, Ellen; Schollmeyer, Dieter; Laufer, Stefan","1-[(3<i>RS</i>,4<i>RS</i>)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-<i>d</i>]pyrrolo[2,3-<i>b</i>]pyridine hemihydrate","Acta Crystallographica Section E","2012","68","10","o3052","","10.1107/S1600536812039980","","","0.71073","MoKα","","0.0649","0.0448","","","0.0995","0.1088","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236130","17.2626","0.001","11.5411","0.0008","13.1313","0.0009","90","","98.443","0.003","90","","2587.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(3<i>RS</i>,4<i>RS</i>)-1-Benzyl-4-methylpiperidin-3-yl]- 5-nitro-1-phenylsulfonyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine-4-amine","","- C27 H29 N5 O4 S -","- C27 H29 N5 O4 S -","- C108 H116 N20 O16 S4 -","4","1","BT6841","Pfaffenrot, Ellen; Schollmeyer, Dieter; Laufer, Stefan","<i>N</i>-[(3<i>RS</i>,4<i>RS</i>)-1-Benzyl-4-methylpiperidin-3-yl]-5-nitro-1-phenylsulfonyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine-4-amine","Acta Crystallographica Section E","2012","68","10","o3051","","10.1107/S1600536812039979","","","0.71073","MoKα","","0.0663","0.0386","","","0.1023","0.1172","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236131","8.921","0.005","10.235","0.004","25.256","0.003","90","","93.38","0.004","90","","2302","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-2-{[<i>N</i>-(2-formylphenyl)- 4-methylbenzenesulfonamido]methyl}prop-2-enenitrile","","- C25 H20 N2 O5 S -","- C25 H20 N2 O5 S -","- C100 H80 N8 O20 S4 -","4","1","BT6843","Bakthadoss, M.; Devaraj, A.; Madhanraj, R.; Murugavel, S.","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}prop-2-enenitrile","Acta Crystallographica Section E","2012","68","11","o3164","o3165","10.1107/S1600536812042663","","","0.71073","MoKα","","0.1013","0.0503","","","0.1212","0.148","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236132","6.9879","0.0004","22.0074","0.0013","8.0554","0.0005","90","","92.796","0.001","90","","1237.33","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5-chloropyridinium 4-aminobenzoate","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","BT6844","Kannan, V.; Sugumar, P.; Brahadeeswaran, S.; Ponnuswamy, M. N.","2-Amino-5-chloropyridinium 4-aminobenzoate","Acta Crystallographica Section E","2012","68","11","o3187","","10.1107/S1600536812043085","","","0.71073","MoKα","","0.0458","0.0383","","","0.1058","0.1121","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236133","11.2646","0.0002","5.6471","0.0001","25.7507","0.0004","90","","99.595","0.001","90","","1615.15","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-{[1-(2,3,5-Tri-<i>O</i>-benzoyl-β-<i>D</i>-ribofuranos-1-yl)- 1<i>H</i>-1,2,3-triazol-4-yl]methyl}quinazolin-4(3<i>H</i>)-one","","- C37 H29 N5 O8 -","- C37 H29 N5 O8 -","- C74 H58 N10 O16 -","2","1","BT6845","Ouahrouch, Abdelaaziz; Taourirte, Moha; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","3-{[1-(2,3,5-Tri-<i>O</i>-benzoyl-β-<small>D</small>-ribofuranos-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methyl}quinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3166","","10.1107/S1600536812042778","","","0.71073","MoKα","","0.0475","0.0332","","","0.0746","0.0812","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236134","7.7985","0.0002","11.6028","0.0003","14.6819","0.0002","90","","111.279","0.001","90","","1237.91","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')dichloridobis(methanolato- κ<i>O</i>)niobium(V)","","- C7 H13 Cl2 Nb O4 -","- C7 H13 Cl2 Nb O4 -","- C28 H52 Cl8 Nb4 O16 -","4","1","BT6846","Herbst, Leandra; Visser, Hendrik G.; Roodt, Andreas; Pretorius, Carla","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')dichloridobis(methanolato-κ<i>O</i>)niobium(V)","Acta Crystallographica Section E","2012","68","11","m1392","","10.1107/S1600536812042638","","","0.71069","MoKα","","0.027","0.026","","","","0.0602","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236135","11.9421","0.0014","9.6419","0.0011","11.7694","0.0013","90","","93.504","0.002","90","","1352.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-<i>tert</i>-Butyl-1-(3-nitrophenyl)-1<i>H</i>-pyrazol-5-amine","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C52 H64 N16 O8 -","4","1","BT6847","Hernández-Ortega, Simón; Cuenú-Cabezas, Fernando; Abonia-González, Rodrigo; Cabrera-Ortiz, Armando","3-<i>tert</i>-Butyl-1-(3-nitrophenyl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2012","68","11","o3171","","10.1107/S1600536812042791","","","0.71073","MoKα","","0.0485","0.0403","","","0.1096","0.1146","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236136","5.8842","0.0004","7.1173","0.0006","17.2313","0.0016","93.802","0.007","97.998","0.007","95.363","0.007","709.19","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(4-chlorobenzyl)oxime","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C34 H28 Cl2 N2 O4 -","2","1","BT6848","Kosmalski, Tomasz; Gzella, Andrzej K.","1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(4-chlorobenzyl)oxime","Acta Crystallographica Section E","2012","68","11","o3178","","10.1107/S1600536812042675","","","0.71073","MoKα","","0.0695","0.056","","","0.1292","0.1374","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236137","8.7676","0.0002","8.8221","0.0009","39.118","0.004","90","","93.582","0.005","90","","3019.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,2':6',2''-terpyridine)ruthenium(II) bis(perchlorate) hemihydrate","","- C30 H23 Cl2 N6 O8.5 Ru -","- C30 H23 Cl2 N6 O8.5 Ru -","- C120 H92 Cl8 N24 O34 Ru4 -","4","1","BT6849","Kozlowska, Mariana; Rodziewicz, Pawel; Brus, Diana Malgorzata; Breczko, Joanna; Brzezinski, Krzysztof","Bis(2,2':6',2''-terpyridine)ruthenium(II) bis(perchlorate) hemihydrate","Acta Crystallographica Section E","2012","68","11","m1414","m1415","10.1107/S1600536812043917","","","0.71073","MoKα","","0.0451","0.0423","","","0.0812","0.0826","","","","","","1.272","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236138","10.8648","0.0006","11.1477","0.0006","16.2075","0.0007","72.084","0.004","89.037","0.004","62.084","0.006","1631.47","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(4-Nitrobenzylidene)-2,2-diphenylhydrazine","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","2","BT6850","Mendoza, Angel; Meléndrez-Luevano, Ruth; Cabrera-Vivas, Blanca M.; Acoltzi-X, Claudia; Flores-Alamo, Marcos","(<i>E</i>)-1-(4-Nitrobenzylidene)-2,2-diphenylhydrazine","Acta Crystallographica Section E","2012","68","11","o3238","","10.1107/S1600536812043681","","","0.71073","MoKα","","0.0809","0.0383","","","","0.1002","","","","","","0.886","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236139","20.52","0.003","5.7237","0.0007","11.22","0.002","90","","122.009","0.005","90","","1117.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(±)-(<i>rel</i>-3<i>R</i>,3'<i>R</i>)-1,1'-Dimethyl-3,3'-bipyrrolidine-2,2'- dithione","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C40 H64 N8 S8 -","4","0.5","BT6851","Madeley, Lee G.; Lemmerer, Andreas; Michael, Joseph P.","(±)-(<i>rel</i>-3<i>R</i>,3'<i>R</i>)-1,1'-Dimethyl-3,3'-bipyrrolidine-2,2'-dithione","Acta Crystallographica Section E","2012","68","11","o3211","","10.1107/S1600536812043498","","","0.71073","MoKα","","","0.0295","","","","0.0765","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236140","19.9481","0.0013","19.9481","0.0013","7.341","0.0007","90","","90","","90","","2921.2","0.4","100","","100","","","","","","","","","3","P 42","P 4c","77","3-<i>epi</i>-Dammarenediol II 1.075 hydrate","3α,20(<i>S</i>)-Dihydroxydammar-24-ene 1.075 hydrate","","- C30 H54.14 O3.07 -","- C30 H54.14 O3.07 -","- C120 H216.56 O12.28 -","4","1","BV2209","Fun, Hoong-Kun; Chantrapromma, Suchada; Supriadin, Asep; Harneti, Desi; Supratman, Unang","3-<i>epi</i>-Dammarenediol II 1.075 hydrate: a dammarane triterpene from the bark of <i>Aglaia eximia</i>","Acta Crystallographica Section E","2012","68","11","o3089","o3090","10.1107/S1600536812040366","","","0.71073","MoKα","","0.0698","0.0582","","","0.1502","0.1616","","","","","","1.073","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2236141","12.402","0.0018","13.7808","0.0019","9.3919","0.001","90","","96.813","0.007","90","","1593.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-<i>N</i>-\ phenylhydrazinecarboxamide monohydrate","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C64 H76 N12 O16 -","4","1","BV2210","Annie, C. F.; Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(2<i>E</i>)-2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-<i>N</i>-phenylhydrazinecarboxamide monohydrate","Acta Crystallographica Section E","2012","68","10","o2985","o2986","10.1107/S1600536812039414","","","0.71073","MoKα","","0.0837","0.0527","","","0.1404","0.1719","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236142","9.6757","0.0003","12.1582","0.0004","12.5129","0.0005","88.178","0.002","82.616","0.002","78.072","0.002","1428.26","0.09","100","0.5","100","0.5","101.3","","","","","","","4","P -1","-P 1","2","5,7,8,10,11,13,14,16-Octahydro-6,15-(ethanoxyethanoxyethano)-1,4:17,20-\ dietheno[9,12,6,15]benzodioxadiazacyclodocosine","21,24,29,32-Tetraoxa-1,18- diazapentacyclo[16.8.8.2^3,6^.2^13,16^.0^7,12^]octatriaconta- 3,5,7(12),8,10,13,15,35,37-nonaene","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","1","BV2212","Barnett, Heath A.; Fronczek, Frank R.; Watkins, Steven F.","5,7,8,10,11,13,14,16-Octahydro-6,15-(ethanoxyethanoxyethano)-1,4:17,20-dietheno[9,12,6,15]benzodioxadiazacyclodocosine","Acta Crystallographica Section E","2012","68","11","o3239","","10.1107/S1600536812044017","","","0.71073","MoKα","","","0.0448","","","","0.1149","","","","","","0.806","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236143","9.2288","0.0002","9.479","0.0002","10.4939","0.0002","67.396","0.001","89.933","0.001","82.373","0.001","838.74","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-3-(4-fluorophenylsulfinyl)-2-phenyl-1-benzofuran","","- C20 H12 Br F O2 S -","- C20 H12 Br F O2 S -","- C40 H24 Br2 F2 O4 S2 -","2","1","BV2213","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-(4-fluorophenylsulfinyl)-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2012","68","11","o3242","","10.1107/S1600536812044054","","","0.71073","MoKα","","0.036","0.0301","","","0.0754","0.0786","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236144","9.486","0.002","19.542","0.005","17.635","0.004","90","","104.803","0.004","90","","3160.6","1.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1-(ethoxycarbonylmethyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","","- C26 H24 N6 Ni O4 S4 -","- C26 H24 N6 Ni O4 S4 -","- C104 H96 N24 Ni4 O16 S16 -","4","1","BX2420","Ren, Tian-li; Yang, Cheng-jian; Fang, De-yu; Shi, Guo-xun; Zhu, Xue","Bis[1-(ethoxycarbonylmethyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2012","68","9","m1151","","10.1107/S1600536812033831","","","0.71073","MoKα","","0.0554","0.0432","","","0.1099","0.1143","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236145","9.2241","0.0001","9.2241","0.0001","23.7787","0.0005","90","","90","","120","","1752.13","0.05","120","0.5","120","0.5","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione","","- C24 H26 O2 Si2 -","- C24 H26 O2 Si2 -","- C72 H78 O6 Si6 -","3","0.5","BX2422","Sparrow, Christopher R.; Fronczek, Frank R.; Watkins, Steven F.","1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione","Acta Crystallographica Section E","2012","68","9","o2809","","10.1107/S160053681203663X","","","0.71073","MoKα","","","0.0433","","","","0.1025","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236146","9.8244","0.0004","12.7193","0.0005","15.763","0.0006","90","","95.474","0.002","90","","1960.75","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (3<i>R</i>*,3'<i>S</i>*)-1',1''-dimethyl-2,2''-dioxodispiro[indoline- 3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","BX2423","Ganesh, G.; Yuvaraj, Panneer Selvam; Govindan, E.; Reddy, Boreddy S. R.; SubbiahPandi, A.","Methyl (3<i>R</i>*,3'<i>S</i>*)-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2012","68","10","o2902","o2903","10.1107/S1600536812037440","","","0.71073","MoKα","","0.0639","0.0426","","","0.0976","0.1095","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236147","30.2999","0.0009","5.2132","0.0002","11.6058","0.0004","90","","91.153","0.002","90","","1832.87","0.11","119.9","0.6","119.9","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2<i>H</i>-1,3-benzoxazine) monohydrate","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C80 H104 N8 O20 -","4","0.5","BX2424","Rivera, Augusto; Camacho, Jairo; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","3,3'-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2<i>H</i>-1,3-benzoxazine) monohydrate","Acta Crystallographica Section E","2012","68","9","o2734","","10.1107/S1600536812035519","","","1.5418","CuKα","","0.0349","0.03","","","0.0905","0.0943","","","","","","1.75","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236148","14.717","0.006","10.631","0.004","7.375","0.003","90","","90","","90","","1153.9","0.8","93","2","93","2","","","","","","","","4","C m c 21","C 2c -2","36","","10-(Prop-1-yn-1-yl)-10<i>H</i>-phenothiazine","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","0.5","BX2425","Umezono, Satoru; Okuno, Tsunehisa","10-(Prop-1-yn-1-yl)-10<i>H</i>-phenothiazine","Acta Crystallographica Section E","2012","68","9","o2790","","10.1107/S1600536812036537","","","0.71075","MoKα","","0.0261","0.0252","","","0.0637","0.0645","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236149","16.3842","0.0004","13.1678","0.0003","21.2743","0.0004","90","","90","","90","","4589.8","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Guanidinium dioxidobis(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinato-κ<i>O</i>)uranate(VI)","","- C19 H18 N6 O8 U -","- C19 H18 N6 O8 U -","- C152 H144 N48 O64 U8 -","8","1","CV5297","Mishkevich, Vitalii I.; Grigoriev, Mikhail S.; Fedosseev, Alexandre M.; Moisy, Philippe","Guanidinium dioxidobis(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinato-κ<i>O</i>)uranate(VI)","Acta Crystallographica Section E","2012","68","10","m1243","","10.1107/S1600536812035465","","","0.71073","MoKα","","0.0907","0.0354","","","0.061","0.0749","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236150","10.249","0.002","13.182","0.003","13.435","0.003","90","","90","","90","","1815.1","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol","","- C23 H25 N O -","- C23 H25 N O -","- C92 H100 N4 O4 -","4","1","CV5314","Huang, Yao","1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","10","o2943","","10.1107/S1600536812038652","","","0.71073","MoKα","","0.0733","0.0542","","","0.142","0.1624","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236151","5.4312","0.0004","21.493","0.002","11.3892","0.0009","90","","92.362","0.003","90","","1328.36","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-Amino-2,4-dinitrophenyl)pyridinium chloride monohydrate","","- C11 H11 Cl N4 O5 -","- C11 H11 Cl N4 O5 -","- C44 H44 Cl4 N16 O20 -","4","1","CV5319","Babykala, Rajamanickam; Kalaivani, Doraisamyraja","1-(5-Amino-2,4-dinitrophenyl)pyridinium chloride monohydrate","Acta Crystallographica Section E","2012","68","10","o2941","","10.1107/S1600536812038834","","","0.71073","MoKα","","0.0571","0.0383","","","0.0999","0.1117","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236152","8.5294","0.0001","9.3097","0.0001","19.8115","0.0003","87.999","0.001","78.091","0.001","79.461","0.001","1513.32","0.03","100","","100","","","","","","","","","6","P -1","-P 1","2","","1-(6-Chloro-1,3-benzothiazol-2-yl)-2-[1-(4-methoxyphenyl)ethylidene]hydrazine","","- C16 H14 Cl N3 O S -","- C16 H14 Cl N3 O S -","- C64 H56 Cl4 N12 O4 S4 -","4","2","CV5320","Fun, Hoong-Kun; Quah, Ching Kheng; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-(6-Chloro-1,3-benzothiazol-2-yl)-2-[1-(4-methoxyphenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","9","o2682","","10.1107/S1600536812032606","","","0.71073","MoKα","","0.0619","0.0427","","","0.0809","0.0884","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236153","8.6669","0.0005","11.0574","0.0008","12.5304","0.001","76.133","0.002","75.672","0.002","68.797","0.001","1069.62","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Ethylenediamine-κ^2^<i>N</i>,<i>N</i>)bis[2-(pyridin-2-yl-κ<i>N</i>)- 1,3-imidazol-1-ido-κ<i>N</i>^1^]cobalt(III) nitrate monohydrate","","- C18 H22 Co N9 O4 -","- C18 H22 Co N9 O4 -","- C36 H44 Co2 N18 O8 -","2","1","CV5321","Feng, Xiu-Ling; Zhang, Yu-Ping","(Ethylenediamine-κ^2^<i>N</i>,<i>N</i>)bis[2-(pyridin-2-yl-κ<i>N</i>)-1,3-imidazol-1-ido-κ<i>N</i>^1^]cobalt(III) nitrate monohydrate","Acta Crystallographica Section E","2012","68","9","m1155","","10.1107/S1600536812032692","","","0.71073","MoKα","","0.0519","0.0371","","","0.0959","0.1095","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236154","7.5645","0.0005","13.1057","0.0009","12.7017","0.0005","90","","96.077","0.004","90","","1252.15","0.13","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-{<i>N</i>-[(<i>E</i>)-pyridin-2- ylmethylidene-κ<i>N</i>]pyridin-3-amine-κ^2^<i>N</i>^1^:<i>N</i>^3^}]","","- C11 H9 Cl2 Hg N3 -","- C11 H9 Cl2 Hg N3 -","- C44 H36 Cl8 Hg4 N12 -","4","1","CV5327","Mahmoudi, Ali; Dehghanpour, Saeed; Najafi, Leila; Khalafbeigi, Mohammad","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-{<i>N</i>-[(<i>E</i>)-pyridin-2-ylmethylidene-κ<i>N</i>]pyridin-3-amine-κ^2^<i>N</i>^1^:<i>N</i>^3^}]","Acta Crystallographica Section E","2012","68","10","m1244","","10.1107/S1600536812035775","","","0.71073","MoKα","","0.0614","0.0415","","","0.1021","0.1155","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236155","14.0319","0.0011","7.3143","0.0006","20.582","0.0017","90","","106.841","0.003","90","","2021.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Bis(4-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","CV5330","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(4-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","10","o2841","","10.1107/S1600536812037385","","","0.71073","MoKα","","0.128","0.0717","","","0.1943","0.2322","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236156","5.517","0.0011","11.622","0.002","11.964","0.002","90","","90","","90","","767.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(2<i>S</i>)-2-Chloropropanoyl]glycine","","- C5 H8 Cl N O3 -","- C5 H8 Cl N O3 -","- C20 H32 Cl4 N4 O12 -","4","1","CV5331","Sun, Hong-shun; Tang, Yi; Li, Yu-long; Xu, Ning; Xu, Hong","<i>N</i>-[(2<i>S</i>)-2-Chloropropanoyl]glycine","Acta Crystallographica Section E","2012","68","9","o2814","","10.1107/S1600536812036720","","","0.71073","MoKα","","0.0395","0.0351","","","0.0969","0.1","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236157","10.1809","0.0002","10.7654","0.0002","18.4871","0.0003","90","","96.115","0.001","90","","2014.68","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenanthro[9,10-d]imidazole","2-(4-Fluorophenyl)-1-(4-methylphenyl)-1<i>H</i>- phenanthro[9,10-<i>d</i>]imidazole","","- C28 H19 F N2 -","- C28 H19 F N2 -","- C112 H76 F4 N8 -","4","1","CV5332","Rosepriya, S.; Thiruvalluvar, A.; Sathishkumar, R.; Jayabharathi, J.; Öztürk Yildirim, Sema; Butcher, R.J.","2-(4-Fluorophenyl)-1-(4-methylphenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","Acta Crystallographica Section E","2012","68","10","o2880","","10.1107/S1600536812037592","","","1.54184","CuKα","","0.0452","0.0403","","","0.1014","0.1056","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236158","6.6621","0.0012","10.6685","0.0017","13.3437","0.0013","72.279","0.002","83.444","0.002","73.984","0.002","867.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-Dimethylamino-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate","","- C17 H20 N4 O4 -","- C17 H20 N4 O4 -","- C34 H40 N8 O8 -","2","1","CV5333","Zhang, Xiyue; Fu, Xiaobo; Tan, Langzhu; Wang, Chaixia; Fan, Weixing","4-Dimethylamino-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","10","o2828","","10.1107/S1600536812037063","","","0.71073","MoKα","","0.0859","0.0575","","","0.1643","0.2083","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236159","16.0829","0.0004","18.8607","0.0004","11.2352","0.0002","90","","99.081","0.001","90","","3365.31","0.13","90","0.5","90","0.5","101.3","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ~2~-<i>m</i>-Xylylenebis(salicylaldiminato)- bis(η^4^-1,5-cyclooctadiene)dirhodium(I) dichloromethane solvate","","- C39 H44 Cl2 N2 O2 Rh2 -","- C39 H44 Cl2 N2 O2 Rh2 -","- C156 H176 Cl8 N8 O8 Rh8 -","4","1","CV5334","Gregory, Stacie; Laxman, Ravi K.; Fronczek, Frank R.; Maverick, Andrew W.; Watkins, Steven F.","μ~2~-<i>m</i>-Xylylenebis(salicylaldiminato)-bis(η^4^-1,5-cyclooctadiene)dirhodium(I) dichloromethane solvate","Acta Crystallographica Section E","2012","68","10","m1316","m1317","10.1107/S1600536812040603","","","0.71073","MoKα","","","0.0319","","","","0.0765","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236160","7.9737","0.0001","12.0896","0.0003","13.9411","0.0004","92.8065","0.0008","105.421","0.0008","91.9772","0.0018","1292.39","0.05","120","0.5","120","0.5","101.3","","","","","","","4","P -1","-P 1","2","","Bis[2,3,4-trimethyl-5-[(3,4,5-trimethyl-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)\ methyl]-1<i>H</i>-pyrrolato-κ<i>N</i>]copper(II)","","- C30 H38 Cu N4 -","- C30 H38 Cu N4 -","- C60 H76 Cu2 N8 -","2","1","CV5335","Erdem, Sultan S.; Fronczek, Frank R.; Watkins, Steven F.","Bis[2,3,4-trimethyl-5-[(3,4,5-trimethyl-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)methyl]-1<i>H</i>-pyrrolato-κ<i>N</i>]copper(II)","Acta Crystallographica Section E","2012","68","11","m1335","m1336","10.1107/S1600536812040998","","","0.71073","MoKα","","","0.0502","","","","0.1172","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236161","5.7003","0.0018","7.279","0.002","30.76","0.01","96.7","0.009","94.38","0.016","93.332","0.012","1261","0.7","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","(4-Methoxyphenyl)(4-methylcyclohexyl)methanone","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","2","CV5337","Liu, Wei; Tang, Lida","(4-Methoxyphenyl)(4-methylcyclohexyl)methanone","Acta Crystallographica Section E","2012","68","10","o2850","","10.1107/S1600536812037373","","","0.71073","MoKα","","0.0639","0.0427","","","0.1113","0.1204","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236162","9.2922","0.0019","8.4982","0.0012","9.786","0.002","90","","90.471","0.015","90","","772.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Methoxyisobenzofuran-1(3<i>H</i>)-one","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","CV5338","Pereira, Jorge L.; Teixeira, Róbson R.; Guilardi, Silvana; Paixão, Drielly A.","6-Methoxyisobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","10","o2995","","10.1107/S1600536812039074","","","0.71073","MoKα","","0.0694","0.0504","","","","0.1659","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236163","8.5681","0.0006","8.0393","0.0005","10.3808","0.0008","90","","103.51","0.007","90","","695.26","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>-Ethyl-2-[1-(2-hydroxy-6- methoxyphenyl)ethylidene]hydrazinecarbothioamide","","- C12 H17 N3 O2 S -","- C12 H17 N3 O2 S -","- C24 H34 N6 O4 S2 -","2","1","CV5339","Anderson, Brian J.; Kennedy, Christopher J.; Jasinski, Jerry P.","<i>N</i>-Ethyl-2-[1-(2-hydroxy-6-methoxyphenyl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","10","o2982","","10.1107/S1600536812039323","","","0.7107","MoKα","","0.0594","0.0467","","","0.1149","0.1279","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236164","4.7957","0.0008","27.496","0.004","10.9906","0.0013","90","","97.048","0.004","90","","1438.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Benzothiazol-2-ylsulfanyl)-<i>N</i>-(2-methylphenyl)acetamide","","- C16 H14 N2 O S2 -","- C16 H14 N2 O S2 -","- C64 H56 N8 O4 S8 -","4","1","CV5340","Sun, Yue; Wang, Xiao-Jun; Zheng, Peng-Wu","2-(1,3-Benzothiazol-2-ylsulfanyl)-<i>N</i>-(2-methylphenyl)acetamide","Acta Crystallographica Section E","2012","68","11","o3138","","10.1107/S1600536812042109","","","0.71073","MoKα","","0.0592","0.048","","","0.094","0.0995","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236165","7.7342","0.0007","10.6409","0.001","15.0924","0.0012","105.856","0.004","101.242","0.004","97.112","0.004","1151.08","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,4-Bis(2-bromophenyl)-7-<i>tert</i>-pentyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H29 Br2 N O -","- C25 H29 Br2 N O -","- C50 H58 Br4 N2 O2 -","2","1","CV5341","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(2-bromophenyl)-7-<i>tert</i>-pentyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","10","o2946","","10.1107/S1600536812039128","","","0.71073","MoKα","","0.1351","0.0619","","","0.1778","0.212","","","","","","1.023","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236166","5.4176","0.0012","10.358","0.002","19.853","0.005","75.671","0.003","88.294","0.003","78.23","0.003","1056.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(1<i>H</i>-benzimidazole-2-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>)bis(ethanol-κ<i>O</i>)manganese(II)","","- C20 H22 Mn N4 O6 -","- C20 H22 Mn N4 O6 -","- C40 H44 Mn2 N8 O12 -","2","1","CV5342","Nie, Jian-Hua; Lin, Yue-Hua; Xu, Chun-Tao","Bis(1<i>H</i>-benzimidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)bis(ethanol-κ<i>O</i>)manganese(II)","Acta Crystallographica Section E","2012","68","10","m1288","","10.1107/S1600536812039475","","","0.71073","MoKα","","0.0731","0.0481","","","0.117","0.1308","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236167","5.8625","0.0007","22.825","0.003","12.637","0.0017","90","","94.772","0.004","90","","1685.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-3-nitroaniline","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","CV5343","Cha, Joo Hwan; Kang, Yong Koo; Cho, Yong Seo; Lee, Jae Kyun; Woo, Jae Choon","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-3-nitroaniline","Acta Crystallographica Section E","2012","68","10","o3030","","10.1107/S1600536812040354","","","0.71075","MoKα","","0.062","0.0425","","","0.1252","0.1361","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236168","7.6223","0.0003","7.6289","0.0003","12.6967","0.0004","90","","90","","90","","738.31","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Aminoquinoline","Quinolin-3-amine","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","1","CV5347","Islor, Arun M.; Chandrakantha, B.; Shetty, Prakash; Gerber, Thomas; Hosten, Eric; Betz, Richard","Quinolin-3-amine","Acta Crystallographica Section E","2012","68","11","o3155","","10.1107/S1600536812042626","","","0.71073","MoKα","","0.0344","0.0323","","","0.0882","0.0912","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236169","9.732","0.003","9.832","0.002","11.166","0.003","64.55","0.02","69.62","0.02","75.33","0.03","897.6","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","5-(4-Bromophenoxy)-1-methyl-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde- <i>O</i>-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime","","- C16 H16 Br N5 O3 S -","- C16 H16 Br N5 O3 S -","- C32 H32 Br2 N10 O6 S2 -","2","1","CV5348","Fan, Chong-Guang; Chen, Jian-Cun; Dai, Hong; Wei, Yun-Hua; Shi, Yu-Jun","5-(4-Bromophenoxy)-1-methyl-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde-<i>O</i>-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime","Acta Crystallographica Section E","2012","68","11","o3122","","10.1107/S1600536812042274","","","0.71073","MoKα","","0.0355","0.0287","","","0.0536","0.0542","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236170","11.719","0.009","8.308","0.003","17.246","0.005","90","","96.703","0.005","90","","1667.6","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(2<i>H</i>-benzotriazol-2-yl)acetic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C64 H56 N24 O16 -","8","1","DS2205","Alieva, Guloy; Ashurov, Jamshid; Mukhamedov, Nasir; Parpiev, Nusrat","A new polymorph of 2-(2<i>H</i>-benzotriazol-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","10","o2833","","10.1107/S1600536812036768","","","1.54184","CuKα","","0.044","0.0355","","","0.0943","0.0997","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236171","24.913","0.001","7.2586","0.0003","6.1359","0.0002","90","","95.012","0.004","90","","1105.33","0.07","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-{[But-2-ene-1,4-diylbis(oxy)]bis(4,1-phenylene)}bis(phenylmethanone)","","- C30 H24 O4 -","- C30 H24 O4 -","- C60 H48 O8 -","2","0.5","DS2209","Öztürk Yildirim, Sema; Butcher, Ray J.; Köysal, Yavuz; Birinci, Emrah","(<i>E</i>)-{[But-2-ene-1,4-diylbis(oxy)]bis(4,1-phenylene)}bis(phenylmethanone)","Acta Crystallographica Section E","2012","68","9","o2633","","10.1107/S1600536812033624","","","0.71073","MoKα","","0.0677","0.0528","","","0.121","0.1293","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236172","5.7624","0.0005","13.1329","0.0008","11.7601","0.0009","90","","98.547","0.006","90","","880.09","0.12","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>,2'<i>Z</i>)-Diethyl 3,3'-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate)","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C32 H56 N4 O8 -","2","0.5","DS2210","Harrad, Mohamed Anouar; Boualy, Brahim; Ali, Mustapha Ait; El Firdoussi, Larbi; Stoeckli-Evans, Helen","(2<i>Z</i>,2'<i>Z</i>)-Diethyl 3,3'-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate)","Acta Crystallographica Section E","2012","68","10","o2855","o2856","10.1107/S1600536812036823","","","0.71073","MoKα","","0.0464","0.0353","","","0.0773","0.081","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236173","8.5766","0.0017","9.5036","0.0019","11.723","0.002","80.01","0.03","85.4","0.03","89.55","0.03","938","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(thiocyanato-κ<i>N</i>)zinc]bis[μ-1,3,5- tris(1<i>H</i>-1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]] monohydrate]","","- C32 H32 N20 O S2 Zn -","- C32 H32 N20 O S2 Zn -","- C32 H32 N20 O S2 Zn -","1","0.5","DS2211","Li, Qing-Xia; Shi, Xian-Ju; Chen, Lai-Cheng","<i>catena</i>-Poly[[[bis(thiocyanato-κ<i>N</i>)zinc]bis[μ-1,3,5-tris(1<i>H</i>-1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]] monohydrate]","Acta Crystallographica Section E","2012","68","10","m1299","","10.1107/S1600536812039256","","","0.71073","MoKα","","0.0467","0.0411","","","0.1027","0.1077","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236174","14.6277","0.0011","9.8273","0.0003","13.0879","0.001","90","","133.49","0.013","90","","1364.9","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}zinc","","- C28 H18 Br4 F2 N2 O2 Zn -","- C28 H18 Br4 F2 N2 O2 Zn -","- C56 H36 Br8 F4 N4 O4 Zn2 -","2","0.5","DS2215","Zhang, Dingjun; Yu, Hong; Jin, Yue-Bao; Lei, Ke-Wei","Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}zinc","Acta Crystallographica Section E","2012","68","11","m1424","","10.1107/S1600536812043930","","","0.71073","MoKα","","0.0172","0.0167","","","0.0404","0.0406","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236175","5.7203","0.0001","15.1315","0.0003","12.0606","0.0003","90","","96.867","0.001","90","","1036.44","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>S</i>-Phenyl benzothioate","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","DS2217","Belay, Yonas H.; Kinfe, Henok H.; Muller, Alfred","<i>S</i>-Phenyl benzothioate","Acta Crystallographica Section E","2012","68","10","o2825","","10.1107/S1600536812037142","","","1.54178","CuKα","","0.0325","0.0318","","","","0.0817","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236176","14.7603","0.001","15.1301","0.0017","16.2847","0.0009","90","","90","","90","","3636.8","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8a<i>R</i>,9<i>R</i>)-9-Hydroxy-7,8,8a,9- tetrahydrofuro[3,2-<i>f</i>]indolizin-6(4<i>H</i>)-one","","- C10 H11 N O3 -","- C10 H11 N O2.99925 -","- C160 H176 N16 O47.988 -","16","4","DS2219","Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Sivý, Július; Jozefína, Žúžiová","(8a<i>R</i>,9<i>R</i>)-9-Hydroxy-7,8,8a,9-tetrahydrofuro[3,2-<i>f</i>]indolizin-6(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","10","o3034","o3035","10.1107/S1600536812040378","","","0.71073","MoKα","","0.0415","0.0344","","","0.082","0.0859","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236177","12.5641","0.0007","13.1441","0.0005","7.7896","0.0004","90","","106.012","0.004","90","","1236.5","0.11","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","FB2260","Akbal, Tufan; Ağar, Erbil; Gümüş, Sümeyye; Erdönmez, Ahmet","4-Methoxy-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","10","o3026","","10.1107/S1600536812034344","","","0.71073","MoKα","","0.0711","0.0466","","","0.1161","0.1247","","","","","","1.151","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236178","8.4974","0.0003","11.8566","0.0004","13.958","0.0004","90","","90","","90","","1406.27","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3a<i>S</i>,4<i>S</i>,6<i>S</i>,7a<i>R</i>)-Hexahydro-3a,5,5-trimethyl-2- phenyl-4,6-methano-1,3,2-benzodioxaborole","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C64 H84 B4 O8 -","4","1","FB2267","Lejon, Tore; Gozhina, Olga V.; Khrustalev, Victor N.","(3a<i>S</i>,4<i>S</i>,6<i>S</i>,7a<i>R</i>)-Hexahydro-3a,5,5-trimethyl-2-phenyl-4,6-methano-1,3,2-benzodioxaborole","Acta Crystallographica Section E","2012","68","11","o3103","","10.1107/S1600536812041712","","","0.71073","MoKα","","0.0375","0.0339","","","0.0889","0.092","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236179","6.7794","0.0012","12.172","0.002","13.718","0.002","98.776","0.002","102.42","0.002","90.444","0.002","1091.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Triaqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)]calcium(II) tetrahydrate","","- C13 H24 Ca N4 O15 -","- C13 H24 Ca N4 O15 -","- C26 H48 Ca2 N8 O30 -","2","1","FF2078","Du, Ling-Zhi; Li, Xia","Triaqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)]calcium(II) tetrahydrate","Acta Crystallographica Section E","2012","68","9","m1199","m1200","10.1107/S1600536812035544","","","0.71073","MoKα","","0.0909","0.0476","","","0.084","0.0982","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236180","9.8052","0.0014","18.041","0.003","13.2193","0.0018","90","","110.797","0.002","90","","2186.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-4-[(3-Aminonaphthalen-2-ylamino)(phenyl)methylidene]- 3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C27 H22 N4 O -","- C27 H22 N4 O -","- C108 H88 N16 O4 -","4","1","FF2079","Zhang, Zhao; Lü, Xingqiang; Zhao, Shunsheng; Liu, Xiangrong","(<i>Z</i>)-4-[(3-Aminonaphthalen-2-ylamino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","9","o2777","","10.1107/S1600536812034770","","","0.71073","MoKα","","0.0672","0.0416","","","0.1058","0.1229","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236181","12.254","0.007","24.302","0.014","12.297","0.007","90","","108.654","0.009","90","","3470","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,2'-[Cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C20 H20 Cu N2 O2 -","- C20 H20 Cu N2 O2 -","- C160 H160 Cu8 N16 O16 -","8","2","FF2080","Zhao, Shunsheng; Lü, Xingqiang; Liu, Xiangrong","{2,2'-[Cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","9","m1215","","10.1107/S1600536812036458","","","0.71073","MoKα","","0.218","0.0851","","","0.1753","0.2482","","","","","","0.952","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236182","13.5151","0.0012","6.968","0.0005","16.5529","0.0014","90","","122.385","0.002","90","","1316.39","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione‒4,4'-bipyridine (1/1)","","- C12 H12 N6 S -","- C12 H12 N6 S -","- C48 H48 N24 S4 -","4","1","FF2081","Qiu, Qi-Ming; Jiang, Yu-Han; Huang, Xu; Jin, Qiong-Hua; Zhang, Cun-Lin","3-Amino-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2012","68","10","o2885","","10.1107/S1600536812037671","","","0.71073","MoKα","","0.0608","0.0396","","","0.0981","0.114","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236183","9.4399","0.0008","23.1526","0.0016","8.1388","0.0005","90","","108.039","0.002","90","","1691.4","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-4-nitroaniline","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","FF2082","Kang, Yong Koo; Cho, Yong Seo; Lee, Jae Kyun; Yu, Byung-Yong; Cha, Joo Hwan","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-4-nitroaniline","Acta Crystallographica Section E","2012","68","10","o3031","","10.1107/S1600536812040391","","","0.71075","MoKα","","","0.0376","","","","0.1131","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236184","9.8514","0.001","8.9757","0.0007","21.917","0.003","90","","90","","90","","1938","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Oxo-2,3-dihydro-1<i>H</i>-inden-4-yl acetate","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","FF2083","Lin, Hong-Yi; Chang, Che-Wei; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","3-Oxo-2,3-dihydro-1<i>H</i>-inden-4-yl acetate","Acta Crystallographica Section E","2012","68","11","o3075","o3076","10.1107/S1600536812041293","","","0.71073","MoKα","","0.1386","0.0873","","","0.2122","0.2314","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236185","5.6227","0.0001","10.2571","0.0002","34.2115","0.0006","90","","90","","90","","1973.07","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(pro-val)","(3<i>S</i>,8a<i>S</i>)-3-Isopropylhexahydropyrrolo[1,2-<i>a</i>]pyrazine-1,4- dione","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C80 H128 N16 O16 -","8","2","FF2084","Liu, Xiang-Yang; Wang, Cheng; Cheng, Yi-Qiang","Cyclo(-<small>L</small>-prolyl-<small>L</small>-valinyl-) from <i>Burkholderia thailandensis</i> MSMB43","Acta Crystallographica Section E","2012","68","11","o3182","o3183","10.1107/S1600536812043000","","","1.54178","CuKα","","0.0364","0.0308","","","0.0722","0.0749","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236186","8.8746","0.0005","13.3273","0.0007","9.8331","0.0006","90","","90","","90","","1163","0.11","180","1","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","10'-Chloro-3',4'-dihydro-2'<i>H</i>-spiro[cyclopropane- 1,7'(6'<i>H</i>)-pyrimido[2,1-<i>a</i>]isoquinolin]-6'-one","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C56 H52 Cl4 N8 O4 -","4","1","FF2085","Okuda, Kensuke; Hirota, Takashi; Nishina, Yuta; Ishida, Hiroyuki","10'-Chloro-3',4'-dihydro-2'<i>H</i>-spiro[cyclopropane-1,7'(6'<i>H</i>)-pyrimido[2,1-<i>a</i>]isoquinolin]-6'-one","Acta Crystallographica Section E","2012","68","11","o3252","","10.1107/S1600536812044261","","","0.71075","MoKα","","0.0347","0.0305","","","0.0758","0.0787","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236187","21.5625","0.0002","23.4621","0.0002","8.603","0.0001","90","","98.899","0.001","90","","4299.88","0.07","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')praseodymium(III)]-di-μ-4-hydroxybenzoato- κ^4^<i>O</i>^1^:<i>O</i>^1'^-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>] bis(1,10-phenanthroline)]","","- C50 H34 N7 O9 Pr -","- C50 H34 N7 O9 Pr -","- C200 H136 N28 O36 Pr4 -","4","1","FJ2550","Wang, Panfeng; Xu, Dingding; Wang, Xinqing","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')praseodymium(III)]-di-μ-4-hydroxybenzoato-κ^4^<i>O</i>^1^:<i>O</i>^1'^-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>] bis(1,10-phenanthroline)]","Acta Crystallographica Section E","2012","68","9","m1148","","10.1107/S1600536812029911","","","1.54184","CuKα","","0.0375","0.0349","","","0.0888","0.0919","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236188","9.746","0.002","13.096","0.003","13.725","0.003","88.317","0.003","73.127","0.003","77.169","0.003","1633.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)‒ trichloroacetic acid (1/1)","","- C23 H22 Cl10 N2 O6 -","- C23 H22 Cl10 N2 O6 -","- C46 H44 Cl20 N4 O12 -","2","1","FJ2574","Song, Yanxi; Chidan Kumar, C. S.; Akkurt, Mehmet; Chandraju, S.; Li, Hongqi","1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)‒trichloroacetic acid (1/1)","Acta Crystallographica Section E","2012","68","9","o2695","o2696","10.1107/S1600536812034794","","","0.71073","MoKα","","0.0659","0.0467","","","0.1139","0.1246","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236189","16.0028","0.0013","4.9046","0.0006","8.2367","0.0007","90","","93.199","0.007","90","","645.47","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-1<i>H</i>-pyrrole-2-carboxylic acid","","- C5 H4 Br N O2 -","- C5 H4 Br N O2 -","- C20 H16 Br4 N4 O8 -","4","1","FJ2579","Zheng, Le; Hu, Fang; Zeng, Xiang Chao; Li, Kai Ping","4-Bromo-1<i>H</i>-pyrrole-2-carboxylic acid","Acta Crystallographica Section E","2012","68","9","o2689","","10.1107/S1600536812034800","","","0.71073","MoKα","","0.0511","0.0341","","","0.0727","0.0812","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236190","8.7516","0.0004","12.4649","0.0005","21.4605","0.0008","97.654","0.002","101.024","0.002","102.345","0.002","2207.45","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-1'-(4-methylphenyl)-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>- dispiro[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione","","- C26 H29 N3 O2 -","- C26 H29 N3 O2 -","- C104 H116 N12 O8 -","4","2","FJ2583","Ramaswamy, S.; Sribala, R.; Srinivasan, N.; Krishnakumar, R. V.; Kumar, R. Ranjith","1-Methyl-1'-(4-methylphenyl)-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>-dispiro[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione","Acta Crystallographica Section E","2012","68","9","o2772","o2773","10.1107/S1600536812036240","","","0.71073","MoKα","","0.0664","0.0403","","","0.0978","0.1102","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236191","11.29","0.002","16.171","0.003","8.5612","0.0014","90","","105.045","0.011","90","","1509.4","0.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Ethyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C17 H15 F O3 S -","- C17 H15 F O3 S -","- C68 H60 F4 O12 S4 -","4","1","FJ2589","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Ethyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2838","","10.1107/S1600536812036872","","","0.71073","MoKα","","0.0537","0.0415","","","0.0975","0.1054","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236192","10.8053","0.0006","4.8952","0.0002","16.3601","0.001","90","","95.813","0.002","90","","860.9","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]benzohydrazide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","FJ2591","Reshma, P. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","9","o2785","","10.1107/S1600536812036306","","","0.71073","MoKα","","0.0327","0.0292","","","0.0777","0.082","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236193","12.6484","0.0005","10.1647","0.0004","8.8683","0.0004","90","","104.462","0.001","90","","1104.04","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diaquatetrabromidotin(IV) trihydrate","","- Br4 H10 O5 Sn -","- Br4 H10 O5 Sn -","- Br16 H40 O20 Sn4 -","4","0.5","FJ2592","Ye, Fei; Reuter, Hans","Diaquatetrabromidotin(IV) trihydrate","Acta Crystallographica Section E","2012","68","9","i70","","10.1107/S1600536812036434","","","0.71073","MoKα","","0.0151","0.0133","","","0.0276","0.0279","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236194","9.0535","0.0008","11.9947","0.0007","17.2267","0.0015","90","","117.355","0.006","90","","1661.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(Anilino)(2-nitrophenyl)methyl]cyclohexanone","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","FJ2593","Eftekhari-Sis, Bagher; Mohajer, Sahar; Büyükgüngör, Orhan","2-[(Anilino)(2-nitrophenyl)methyl]cyclohexanone","Acta Crystallographica Section E","2012","68","10","o2829","","10.1107/S1600536812036859","","","0.71073","MoKα","","0.09","0.0542","","","0.143","0.1601","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236195","5.2965","0.0002","7.703","0.0004","8.8035","0.0003","84.057","0.004","87.691","0.003","89.016","0.004","356.92","0.03","106","1","106","1","","","","","","","","6","P -1","-P 1","2","","(Dimethylphosphoryl)methanaminium chloride","","- C3 H11 Cl N O P -","- C3 H11 Cl N O P -","- C6 H22 Cl2 N2 O2 P2 -","2","1","FJ2594","Reiss, Guido J.; Jörgens, Stefan","(Dimethylphosphoryl)methanaminium chloride","Acta Crystallographica Section E","2012","68","10","o2899","o2900","10.1107/S1600536812037890","","","0.71073","MoKα","","0.022","0.0206","","","0.0487","0.0493","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236196","5.0734","0.0011","11.618","0.002","14.718","0.003","87.388","0.013","86.595","0.015","89.78","0.015","865.1","0.3","296","2","296","2","","","","","","","","3","P 1","P 1","1","","(3<i>S</i>,7<i>R</i>)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12- decahydro-1<i>H</i>-2-benzoxacyclotetradecin-1-one.","","- C18 H26 O5 -","- C18 H26 O5 -","- C36 H52 O10 -","2","2","FJ2595","Drzymala, Sarah; Kraus, Werner; Emmerling, Franziska; Koch, Matthias","(3<i>S</i>,7<i>R</i>)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1<i>H</i>-2-benzoxacyclotetradecin-1-one.","Acta Crystallographica Section E","2012","68","11","o3071","","10.1107/S1600536812041141","","","0.71073","MoKα","","0.0752","0.0586","","","0.1379","0.1474","","","","","","0.952","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236197","26.574","0.001","6.3883","0.0003","19.3304","0.0006","90","","123.037","0.002","90","","2751","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Acetylphenyl (2<i>E</i>)-3-(4-fluorophenyl)acrylate","","- C17 H13 F O3 -","- C17 H13 F O3 -","- C136 H104 F8 O24 -","8","1","FJ2596","Momin, Mehbub I. K.; Pawar, Sunayna; Koorbanally, Neil Anthony; Su, Hong; Ramjugernath, Deresh","2-Acetylphenyl (2<i>E</i>)-3-(4-fluorophenyl)acrylate","Acta Crystallographica Section E","2012","68","10","o3049","","10.1107/S1600536812040536","","","0.71073","MoKα","","0.0696","0.0405","","","0.0997","0.1146","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236198","11.7401","0.0002","6.3767","0.0001","17.7462","0.0003","90","","109.584","0.001","90","","1251.68","0.04","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-norbornyl <i>p</i>-bromobenzoate","Bicyclo[2.2.1]hept-7-yl <i>p</i>-bromobenzoate","","- C14 H15 Br O2 -","- C14 H15 Br O2 -","- C56 H60 Br4 O8 -","4","1","FJ2598","Lloyd, Barry A.; Arif, Atta M.","Bicyclo[2.2.1]hept-7-yl <i>p</i>-bromobenzoate","Acta Crystallographica Section E","2012","68","11","o3086","o3087","10.1107/S1600536812041268","","","0.71073","MoKα","","0.0294","0.0224","","","0.0527","0.0552","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236199","17.755","0.008","7.24","0.004","11.045","0.008","90","","101.07","0.05","90","","1393.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-5-({4-[<i>N</i>-methyl-<i>N</i>-(2-hydroxyethyl)amino] phenyl}diazenyl)pyridine","","- C15 H15 N5 O -","- C15 H15 N5 O -","- C60 H60 N20 O4 -","4","1","FJ2599","Centore, Roberto; Piccialli, Vincenzo","2-Cyano-5-({4-[<i>N</i>-methyl-<i>N</i>-(2-hydroxyethyl)amino] phenyl}diazenyl)pyridine","Acta Crystallographica Section E","2012","68","11","o3079","o3080","10.1107/S1600536812041396","","","0.71073","MoKα","","0.115","0.0515","","","0.1131","0.1385","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236200","11.6011","0.0011","20.457","0.003","7.4335","0.0007","90","","101.303","0.008","90","","1729.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(2-Ethoxynaphthalen-1-yl)methylidene]-2-ethylaniline","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","FJ2600","Kargılı, Hakan; Macit, Mustafa; Alpaslan, Gökhan; Kazak, Canan; Erdönmez, Ahmet","(<i>E</i>)-<i>N</i>-[(2-Ethoxynaphthalen-1-yl)methylidene]-2-ethylaniline","Acta Crystallographica Section E","2012","68","11","o3176","","10.1107/S1600536812043097","","","0.71073","MoKα","","0.1129","0.0648","","","0.1867","0.2112","","","","","","0.94","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236201","10.2749","0.0005","5.5787","0.0003","16.622","0.0009","90","","100.976","0.004","90","","935.35","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Allyl-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","FJ2602","Belaziz, Dounia; Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3212","","10.1107/S1600536812043620","","","0.71073","MoKα","","0.1054","0.0448","","","0.1031","0.1278","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236202","19.173","0.003","8.826","0.001","18.088","0.002","90","","94.009","0.002","90","","3053.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido[2-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']manganese(II) monohydrate","","- C13 H15 Cl2 Mn N3 O -","- C13 H13 Cl2 Mn N3 O -","- C104 H104 Cl16 Mn8 N24 O8 -","8","1","FK2065","Tinguiano, Daniel; Thiam, Ibrahima Elhadj; Dieng, Moussa; Gaye, Mohamed; Retailleau, Pascal","Dichlorido[2-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']manganese(II) monohydrate","Acta Crystallographica Section E","2012","68","10","m1250","","10.1107/S1600536812037877","","","0.7107","MoKα","","0.0692","0.0437","","","0.0998","0.1126","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236203","4.5151","0.0001","11.6102","0.0003","22.3255","0.0007","90","","90","","90","","1170.33","0.05","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>-Ethyl-2-(5-fluoro-2-oxoindolin-3- ylidene)hydrazinecarbothioamide","","- C11 H11 F N4 O S -","- C11 H11 F N4 O S -","- C44 H44 F4 N16 O4 S4 -","4","1","FY2062","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-<i>N</i>-Ethyl-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","10","o2868","o2869","10.1107/S1600536812036471","","","0.71073","MoKα","","0.0899","0.0644","","","0.0886","0.0981","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236204","5.4062","0.0015","14.53","0.003","12.027","0.002","90","","113.117","0.01","90","","868.9","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxybenzamide 1,4-dioxane hemisolvate","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","FY2064","Tothadi, Srinu; Desiraju, Gautam R.","4-Hydroxybenzamide 1,4-dioxane hemisolvate","Acta Crystallographica Section E","2012","68","9","o2661","","10.1107/S160053681203437X","","","0.71073","MoKα","","0.0419","0.0394","","","0.1079","0.1106","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236205","16.8172","0.0007","15.7033","0.0007","19.908","0.001","90","","90","","90","","5257.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C256 H296 N8 O24 -","8","1","FY2066","Sughanya, V.; Sureshbabu, N.","10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","9","o2755","","10.1107/S1600536812036094","","","0.71073","MoKα","","0.0732","0.0442","","","0.1085","0.1275","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236206","8.0653","0.0016","10.931","0.002","13.851","0.003","111.627","0.003","90.775","0.003","110.226","0.003","1051.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-[(2-Amino-4,5-dichloroanilino)(phenyl)methylidene]-3-methyl-1- phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C23 H18 Cl2 N4 O -","- C23 H18 Cl2 N4 O -","- C46 H36 Cl4 N8 O2 -","2","1","FY2067","Zou, Dan; Lü, Xingqiang; Zhao, Shunsheng; Liu, Xiangrong","(<i>Z</i>)-4-[(2-Amino-4,5-dichloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3148","","10.1107/S160053681204086X","","","0.71073","MoKα","","0.1138","0.0601","","","0.1506","0.1887","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236207","11.5904","0.0013","7.057","0.0008","16.4519","0.0018","90","","107.445","0.002","90","","1283.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","5-[(<i>Z</i>)-2,3-Dimethoxybenzylidene]-1,2,4- triazolo[3,2-<i>b</i>][1,3]thiazol-6(5<i>H</i>)-one","","- C13 H11 N3 O3 S -","- C13 H11 N3 O3 S -","- C52 H44 N12 O12 S4 -","4","1","FY2070","Guo, Lu; Lin, Gao-Tong; Wang, Jia; Ni, Li; Ge, Ren-Shan","5-[(<i>Z</i>)-2,3-Dimethoxybenzylidene]-1,2,4-triazolo[3,2-<i>b</i>][1,3]thiazol-6(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3139","","10.1107/S1600536812042559","","","0.71073","MoKα","","0.0544","0.0499","","","0.1343","0.1353","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236208","25.822","0.002","11.4406","0.0009","11.3602","0.0007","90","","107.07","0.004","90","","3208.2","0.4","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[1-Methoxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C160 H120 N24 O16 -","8","1","GG2090","Kloubert, Tobias; Kretschmer, Robert; Görls, Helmar; Westerhausen, Matthias","[1-Methoxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone","Acta Crystallographica Section E","2012","68","9","o2631","o2632","10.1107/S160053681203396X","","","0.71073","MoKα","","0.1155","0.0541","","","0.1158","0.1324","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236209","4.9776","0.0005","10.1139","0.001","30.572","0.003","92.069","0.002","90.087","0.002","91.06","0.002","1537.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[4-(4-Nitrophenoxy)phenyl]pentanamide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","2","GG2093","Nigar, Asifan; Akhter, Zareen; McKee, Vickie; Hussain, Rizwan","<i>N</i>-[4-(4-Nitrophenoxy)phenyl]pentanamide","Acta Crystallographica Section E","2012","68","9","o2816","","10.1107/S1600536812036744","","","0.71073","MoKα","","0.0725","0.0556","","","0.1278","0.1354","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236210","8.3247","0.0002","11.2697","0.0002","11.7004","0.0003","73.0982","0.0006","85.09","0.0006","82.2708","0.0005","1039.49","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[(1,1'-biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium] di-μ-chlorido-bis[dichloridopalladate(II)]","","- C40 H52 Cl6 P2 Pd2 -","- C40 H52 Cl6 P2 Pd2 -","- C40 H52 Cl6 P2 Pd2 -","1","0.5","GG2094","Arderne, Charmaine; Holzapfel, Cedric W.","Bis[(1,1'-biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium] di-μ-chlorido-bis[dichloridopalladate(II)]","Acta Crystallographica Section E","2012","68","10","m1247","","10.1107/S1600536812037786","","","0.71073","MoKα","","0.015","0.0146","","","0.0366","0.0369","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236211","13.791","0.0003","22.668","0.0005","5.634","0.0001","90","","90","","90","","1761.27","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate‒isonicotinamide (1/1)","","- C14 H13 Cl3 N4 O4 -","- C14 H13 Cl3 N4 O4 -","- C56 H52 Cl12 N16 O16 -","4","1","GG2095","Perdih, Franc","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate‒isonicotinamide (1/1)","Acta Crystallographica Section E","2012","68","9","o2818","","10.1107/S1600536812037002","","","0.71073","MoKα","","0.0476","0.04","","","","0.0914","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236212","9.4723","0.0012","9.9129","0.0014","11.2779","0.0016","97.98","0.005","110.359","0.004","93.547","0.004","976.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(Furan-2-yl)-1,3-bis(furan-2-ylmethyl)-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","","- C21 H19 Cl N2 O4 -","- C21 H19 Cl N2 O4 -","- C42 H38 Cl2 N4 O8 -","2","1","GG2097","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","2-(Furan-2-yl)-1,3-bis(furan-2-ylmethyl)-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2012","68","10","o3006","o3007","10.1107/S1600536812040135","","","0.71073","MoKa","","0.0581","0.0451","","","0.1208","0.1286","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236213","5.2724","0.0007","10.734","0.0016","19.176","0.003","82.634","0.004","82.532","0.005","80.371","0.004","1054.6","0.3","180","1","180","2","","","","","","","","4","P -1","-P 1","2","","3-(2-Oxo-2,3,4,5-tetrahydrofuran-3-yl)-1-benzofuran-2-carbonitrile","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","2","GG2098","Okuda, Kensuke; Hirota, Takashi; Nishina, Yuta; Ishida, Hiroyuki","3-(2-Oxo-2,3,4,5-tetrahydrofuran-3-yl)-1-benzofuran-2-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2819","","10.1107/S1600536812036835","","","0.71075","MoKα","","0.0668","0.0467","","","0.1234","0.1331","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236214","11.2561","0.0017","7.7049","0.0011","13.9688","0.0014","90","","91.672","0.008","90","","1211","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Tris[(6<i>S</i>)-6-hydroxy-4-<i>epi</i>-shikimic acid] monohydrate","","- C7 H10.667 O6.333 -","- C7 H10.6667 O6.33333 -","- C42 H64 O38 -","6","3","GG2099","Griesbeck, Axel G.; Miara, Claus; Neudörfl, Jörg-M.","Tris[(6<i>S</i>)-6-hydroxy-4-<i>epi</i>-shikimic acid] monohydrate: an enantiomerically pure hydroxylated shikimic acid derived from methyl shikimate","Acta Crystallographica Section E","2012","68","11","o3149","o3150","10.1107/S1600536812041256","","","0.71073","MoKα","","0.1503","0.0535","","","0.0812","0.1021","","","","","","0.881","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236215","9.4224","0.0012","10.3799","0.0016","11.8143","0.0018","82.14","0.004","73.96","0.004","81.676","0.004","1093.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Diethyl-2,2'-[(<i>N</i>-cyclohexylimino)bis(methylene)]diphenol","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C48 H66 N2 O4 -","2","1","GG2100","Wattanathana, Worawat; Veranitisagul, Chatchai; Kaewvilai, Attaphon; Laobuthee, Apirat; Koonsaeng, Nattamon","4,4'-Diethyl-2,2'-[(<i>N</i>-cyclohexylimino)bis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","10","o3050","","10.1107/S1600536812040342","","","0.71073","MoKα","","0.0859","0.0595","","","0.1649","0.1846","","","","","","1.124","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236216","21.1586","0.0005","5.6731","0.0002","14.6425","0.0004","90","","103.037","0.003","90","","1712.31","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzylpiperidin-4-one <i>O</i>-(2-bromobenzyl)oxime","","- C19 H21 Br N2 O -","- C19 H21 Br N2 O -","- C76 H84 Br4 N8 O4 -","4","1","GG2101","Moreno-Fuquen, Rodolfo; Loaiza, Alix E.; Diaz-Velandia, John; Kennedy, Alan R.; Morrison, Catriona A.","1-Benzylpiperidin-4-one <i>O</i>-(2-bromobenzyl)oxime","Acta Crystallographica Section E","2012","68","10","o3039","","10.1107/S1600536812040263","","","0.71073","MoKα","","0.0561","0.0371","","","0.0708","0.0783","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236217","10.7299","0.0006","14.2399","0.0007","5.9381","0.0003","90","","108.229","0.002","90","","861.76","0.08","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","μ-(2,2'-Bipyrimidine)-bis[dichloridopalladium(II)] dimethylformamide monosolvate","","- C11 H13 Cl4 N5 O Pd2 -","- C11 H6 Cl4 N5 O Pd2 -","- C22 H12 Cl8 N10 O2 Pd4 -","2","0.25","GG2102","Young, Cyril; Roodt, Andreas; Bezuidenhoudt, Barend C. B.","μ-(2,2'-Bipyrimidine)-bis[dichloridopalladium(II)] dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","11","m1374","","10.1107/S1600536812040779","","","0.71073","MoKα","","0.0334","0.0276","","","","0.059","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236218","12.493","0.003","11.559","0.004","15.415","0.004","90","","92.306","0.014","90","","2224.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[4-(4-bromophenylimino-κ<i>N</i>)pent-2-en-2-olato-κ<i>O</i>]copper(II)","","- C22 H22 Br2 Cu N2 O2 -","- C22 H22 Br2 Cu N2 O2 -","- C88 H88 Br8 Cu4 N8 O8 -","4","1","GG2104","Bungu, Paul S. E.; Schutte, Marietjie; Steyl, G.","Bis[4-(4-bromophenylimino-κ<i>N</i>)pent-2-en-2-olato-κ<i>O</i>]copper(II)","Acta Crystallographica Section E","2012","68","11","m1373","","10.1107/S1600536812042420","","","0.71073","MoKα","","0.0501","0.0338","","","","0.0819","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236219","10.9026","0.0003","10.2798","0.0003","14.2962","0.0003","90","","101.529","0.002","90","","1569.94","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-nitro-<i>N</i>-{(<i>E</i>)-[5-(4-nitrophenyl)furan- 2-yl]methylidene}aniline","","- C18 H13 N3 O5 -","- C18 H13 N3 O5 -","- C72 H52 N12 O20 -","4","1","GK2492","Pekdemir, Merve; Işık, Şamil; Gümüş, Sümeyye; Ağar, Erbil; Öztürk Yıldırım, Sema; Butcher, Ray J.","2-Methyl-3-nitro-<i>N</i>-{(<i>E</i>)-[5-(4-nitrophenyl)furan-2-yl]methylidene}aniline","Acta Crystallographica Section E","2012","68","9","o2630","","10.1107/S1600536812033818","","","1.5418","CuKα","","0.0486","0.0423","","","0.1113","0.1178","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236220","8.4462","0.0007","12.5495","0.0011","15.2557","0.0014","100.754","0.007","96.956","0.007","105.287","0.007","1507.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 3-[(1,1-dioxo-1λ^6^,2-benzothiazol-3-yl)amino]-5-nitrothiophene-2- carboxylate","","- C13 H9 N3 O6 S2 -","- C13 H9 N3 O6 S2 -","- C52 H36 N12 O24 S8 -","4","2","GK2503","Rode, Haridas B.; Chojnacki, Jarosław; Otto, Hans-Hartwig","Methyl 3-[(1,1-dioxo-1λ^6^,2-benzothiazol-3-yl)amino]-5-nitrothiophene-2-carboxylate","Acta Crystallographica Section E","2012","68","10","o2951","o2952","10.1107/S1600536812038378","","","0.71073","MoKα","","0.0693","0.0599","","","0.1557","0.1654","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236221","8.3685","0.0004","12.6395","0.0005","7.1083","0.0003","90","","96.461","0.005","90","","747.1","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromo-2,5-dibutoxybenzene","","- C14 H20 Br2 O2 -","- C14 H20 Br2 O2 -","- C28 H40 Br4 O4 -","2","0.5","GK2508","Teh, Chin Hoong; Mat Salleh, Muhammad; Mohamed Tahir, Mohamed Ibrahim; Daik, Rusli; Kassim, Mohammad B.","1,4-Dibromo-2,5-dibutoxybenzene","Acta Crystallographica Section E","2012","68","9","o2683","","10.1107/S1600536812033338","","","1.54178","CuKα","","0.034","0.0301","","","0.0787","0.0813","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236222","6.0303","0.0004","11.1196","0.0008","14.414","0.0011","90","","98.647","0.006","90","","955.54","0.12","99.97","0.14","99.97","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-propoxybenzamide","2-propoxybenzamide","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","GK2512","Al Jasem, Yosef; al Hindawi, Bassam; Thiemann, Thies; White, Fraser","2-Propoxybenzamide","Acta Crystallographica Section E","2012","68","9","o2639","o2640","10.1107/S1600536812033326","","","1.5418","CuKα","","0.0595","0.0398","","","0.0898","0.0992","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236223","8.9431","0.0003","10.4542","0.0002","10.4648","0.0002","90","","109.313","0.002","90","","923.33","0.04","298","1","298","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8-quinolinesulfonamide","Quinoline-8-sulfonamide","","- C9 H8 N2 O2 S -","- C9 H8 N2 O2 S -","- C36 H32 N8 O8 S4 -","4","1","GK2515","Marciniec, Krzysztof; Maślankiewicz, Andrzej; Nowak, Maria; Kusz, Joachim","Quinoline-8-sulfonamide","Acta Crystallographica Section E","2012","68","10","o2826","","10.1107/S1600536812036963","","","0.71073","MoKα","","0.0325","0.0286","","","0.0933","0.0954","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236224","7.683","0.0004","9.1597","0.0004","26.1083","0.0012","90","","91.683","0.004","90","","1836.55","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[2-({[1-(4-Chlorophenyl)-1<i>H</i>-pyrazol-3-yl]oxy}methyl)phenyl]- <i>N</i>-methoxyhydrazinecarboxamide","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C72 H72 Cl4 N20 O12 -","4","1","GK2517","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","<i>N</i>-[2-({[1-(4-Chlorophenyl)-1<i>H</i>-pyrazol-3-yl]oxy}methyl)phenyl]-<i>N</i>-methoxyhydrazinecarboxamide","Acta Crystallographica Section E","2012","68","10","o2916","","10.1107/S1600536812038214","","","0.71073","MoKα","","0.062","0.0479","","","0.1045","0.1115","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236225","11.8886","0.0005","13.3481","0.0005","13.4128","0.0005","77.214","0.003","66.757","0.004","87.856","0.003","1904.27","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","","- C21 H18 Br F O3 -","- C21 H18 Br F O3 -","- C84 H72 Br4 F4 O12 -","4","2","GK2518","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2012","68","10","o2917","o2918","10.1107/S1600536812038202","","","0.71073","MoKα","","0.1133","0.0542","","","0.1099","0.139","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236226","4.6141","0.0002","11.7335","0.0004","20.146","0.0008","90","","90","","90","","1090.7","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one","","- C8 H10 Cl N3 O2 S -","- C8 H10 Cl N3 O2 S -","- C32 H40 Cl4 N12 O8 S4 -","4","1","GK2519","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one","Acta Crystallographica Section E","2012","68","11","o3109","","10.1107/S1600536812042031","","","0.71073","MoKα","","0.0361","0.0314","","","0.0778","0.081","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236227","13.2832","0.0006","5.853","0.0002","14.2995","0.0008","90","","116.086","0.006","90","","998.49","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-(Dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one","","- C11 H12 F N O -","- C11 H12 F N O -","- C44 H48 F4 N4 O4 -","4","1","GK2520","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Deshmukh, Madhukar B.; Patil, D. R.; Anbhule, P. V.","(2<i>E</i>)-3-(Dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","11","o3110","","10.1107/S160053681204202X","","","0.71073","MoKα","","0.0648","0.0457","","","0.1211","0.1325","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236228","5.08891","0.00017","11.2542","0.0004","15.8802","0.0006","90","","90","","90","","909.48","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Allyloxybenzamide","2-(Prop-2-enyloxy)benzamide","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","GK2521","Bugenhagen, Bernhard; Al Jasem, Yosef; Barkhad, Farah; al Hindawi, Bassam; Thiemann, Thies","2-(Prop-2-enyloxy)benzamide","Acta Crystallographica Section E","2012","68","11","o3169","o3170","10.1107/S1600536812042250","","","1.5418","CuKα","","0.0363","0.0332","","","0.0846","0.0873","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236229","7.4701","0.0004","10.1619","0.0005","11.8219","0.0005","94.721","0.004","100.079","0.004","110.685","0.005","816.42","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-\ 2-enoic acid","","- C17 H14 F3 N O4 -","- C17 H14 F3 N O4 -","- C34 H28 F6 N2 O8 -","2","1","GK2523","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Deshmukh, Madhukar B.; Banerjee, Kaushik","3-Methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid","Acta Crystallographica Section E","2012","68","11","o3163","","10.1107/S1600536812042316","","","0.71073","MoKα","","0.1013","0.0592","","","0.135","0.1535","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236230","7.1102","0.0005","7.817","0.0005","8.2454","0.0006","97.27","0.006","93.431","0.006","115.68","0.007","406.31","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (2<i>E</i>)-2-cyano-3-(dimethylamino)prop-2-enoate","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C14 H20 N4 O4 -","2","1","GK2525","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Salunkhe, D. K.; Deshmukh, Madhukar B.","Methyl (2<i>E</i>)-2-cyano-3-(dimethylamino)prop-2-enoate","Acta Crystallographica Section E","2012","68","11","o3121","","10.1107/S1600536812042304","","","0.71073","MoKα","","0.0704","0.046","","","0.1159","0.1341","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236231","29.797","0.005","10.717","0.005","8.086","0.005","90","","103.088","0.005","90","","2515","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C120 H96 Cl8 N8 O8 -","8","1","GK2526","Islor, Arun M.; Yaradoni, Rajiv; Garudachari, B.; Gerber, Thomas; Hosten, Eric; Betz, Richard","3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2012","68","11","o3215","","10.1107/S1600536812043711","","","0.71069","MoKα","","0.0455","0.037","","","0.0951","0.1029","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236232","21.1985","0.0017","11.4","0.0009","20.9346","0.0017","90","","106.588","0.002","90","","4848.6","0.7","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(2-Aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)bis[1,2- bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) hexafluoridophosphate","","- C54 H54 F6 N P5 Ru S -","- C54 H54 F6 N P5 Ru S -","- C216 H216 F24 N4 P20 Ru4 S4 -","4","1","GK2528","Igashira-Kamiyama, Asako; Tamura, Motoshi; Konno, Takumi","(2-Aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2012","68","11","m1432","","10.1107/S1600536812044273","","","0.71075","MoKα","","0.0689","0.0438","","","0.0918","0.1124","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236233","8.7455","0.0003","8.2968","0.0003","14.0638","0.0004","90","","104.474","0.003","90","","988.08","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","7-[(7<i>S</i>)-7-Azaniumyl-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1- [(1<i>S</i>,2<i>R</i>)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline- 3-carboxylate methanol monosolvate","","- C20 H22 Cl F2 N3 O4 -","- C20 H22 Cl F2 N3 O4 -","- C40 H44 Cl2 F4 N6 O8 -","2","1","GO2064","Xu, Wen-jie; Qiu, Xue-hui; Hua, Huai-jie; Tan, Song-de; Ding, Hai-yan","7-[(7<i>S</i>)-7-Azaniumyl-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1<i>S</i>,2<i>R</i>)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate methanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2794","","10.1107/S160053681203632X","","","1.54184","CuKα","","0.0434","0.0383","","","0.0955","0.0998","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236234","5.701","0.005","12.485","0.005","26.736","0.005","90","0.005","90","0.005","90","0.005","1903","1.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-Dimethyl-2-phenyl-4-[phenyl(pyridin-2-ylamino)methyl]-1<i>H</i>- pyrazol-3(2<i>H</i>)-one","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C92 H88 N16 O4 -","4","1","GO2065","Krishnakumar, K.; Franklin, S.; Prabhu, G. Venkatesa; Balasubramanian, T.","1,5-Dimethyl-2-phenyl-4-[phenyl(pyridin-2-ylamino)methyl]-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3193","","10.1107/S1600536812042936","","","0.71073","MoKα","","0.0576","0.0398","","","","0.0945","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236235","4.1001","0.0006","15.3464","0.0011","20.3037","0.0017","90","","90.859","0.009","90","","1277.4","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-<i>p</i>-tolylquinoline-4-carboxylic acid","2-(4-Methylphenyl)quinoline-4-carboxylic acid","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","GO2066","Al-Qawasmeh, Raed A.; A. Khanfar, Monther; H. Abu Zarga, Musa; A. AlDamen, Murad","2-(4-Methylphenyl)quinoline-4-carboxylic acid","Acta Crystallographica Section E","2012","68","10","o2892","","10.1107/S160053681203797X","","","0.71073","MoKα","","0.0669","0.049","","","0.1145","0.1261","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236236","9.5011","0.0008","11.906","0.0013","9.9824","0.0009","90","","90.348","0.007","90","","1129.19","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-4-Chloro-2-[({2-[(3-chloro-6-hydroxy-2,4-dimethylbenzyl)(methyl)amino]propyl}(methyl)amino)methyl]-3,5-dimethylphenol","","- C23 H32 Cl2 N2 O2 -","- C23 H32 Cl2 N2 O2 -","- C46 H64 Cl4 N4 O4 -","2","0.5","GO2069","Rivera, Augusto; Pacheco, Dency José; Ríos-Motta, Jaime; Maldonado, Mauricio; Bolte, Michael","<i>rac</i>-4-Chloro-2-[({2-[(3-chloro-6-hydroxy-2,4-dimethylbenzyl)(methyl)amino]propyl}(methyl)amino)methyl]-3,5-dimethylphenol","Acta Crystallographica Section E","2012","68","10","o2997","","10.1107/S1600536812039694","","","0.71073","MoKα","","0.0745","0.0635","","","0.1532","0.1587","","","","","","1.143","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236237","14.0758","0.0009","5.8059","0.0004","8.6909","0.0005","90","","90","","90","","710.24","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1<i>H</i>-Indole-3-carbaldehyde","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","GO2070","Dileep, C. S.; Abdoh, M. M. M.; Chakravarthy, M. P.; Mohana, K. N.; Sridhar, M. A.","1<i>H</i>-Indole-3-carbaldehyde","Acta Crystallographica Section E","2012","68","11","o3135","","10.1107/S1600536812040573","","","0.71073","MoKα","","0.0333","0.0287","","","0.0659","0.0689","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236238","8.8517","0.0003","10.3937","0.0005","10.5763","0.0004","63.836","0.002","69.023","0.002","72.394","0.002","803.22","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-phenylenebis(methan-1-yl-1-ylidene))bis(1-(thiophen-2-yl)methanamine)","1-(Thiophen-2-yl)-N-(4-{(E)-[(thiophen-2- yl)methyl]iminomethyl}benzylidene)methanamine","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C36 H32 N4 S4 -","2","1","GO2071","Chiririwa, Haleden; Moss, John R.; Hendricks, Denver; Meijboom, Reinout","1-(Thiophen-2-yl)-<i>N</i>-(4-{(<i>E</i>)-[(thiophen-2-yl)methyl]iminomethyl}benzylidene)methanamine","Acta Crystallographica Section E","2012","68","11","o3137","","10.1107/S1600536812040809","","","0.71073","MoKα","","0.0696","0.0452","","","0.1086","0.1251","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236239","12.2193","0.0009","5.5784","0.0005","10.4885","0.0007","90","","91.887","0.004","90","","714.55","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Piperidine-1-carboximidamide","","- C6 H13 N3 -","- C6 H13 N3 -","- C24 H52 N12 -","4","1","GO2073","Tiritiris, Ioannis","Piperidine-1-carboximidamide","Acta Crystallographica Section E","2012","68","11","o3253","","10.1107/S1600536812044467","","","1.54178","CuKα","","0.0588","0.0445","","","0.1037","0.1122","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236240","15.1666","0.0009","10.0472","0.0006","12.436","0.0008","90","","113.931","0.002","90","","1732.11","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Benzylspiro[chromene-2,4'-piperidine]-4-carbonitrile","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C84 H80 N8 O4 -","4","1","GW2123","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.","1'-Benzylspiro[chromene-2,4'-piperidine]-4-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2732","","10.1107/S1600536812035568","","","0.71073","MoKα","","0.1039","0.0492","","","0.1248","0.1515","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236241","10.1952","0.0011","21.223","0.0017","10.1601","0.001","90","","100.771","0.009","90","","2159.6","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,3,7,8,12,13,17,18-Octaethylporphyrinato-κ^4^<i>N</i>)cobalt(II)‒2-nitrobenzaldehyde (1/2)","","- C50 H54 Co N6 O6 -","- C50 H54 Co N6 O6 -","- C100 H108 Co2 N12 O12 -","2","0.5","GW2124","Mansour, Anissa; Daran, Jean-Claude; Nasri, Habib","(2,3,7,8,12,13,17,18-Octaethylporphyrinato-κ^4^<i>N</i>)cobalt(II)‒2-nitrobenzaldehyde (1/2)","Acta Crystallographica Section E","2012","68","9","m1214","","10.1107/S1600536812036112","","","0.71073","MoKα","","0.1004","0.0792","","","0.1836","0.1966","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236242","10.1092","0.0011","10.3408","0.0011","10.819","0.0014","82.284","0.01","85.991","0.01","64.721","0.011","1013.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 3,3'-[(4,5-dicyano-1,2-phenylene)bis(oxy)]dibenzoate","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C48 H32 N4 O12 -","2","1","HB6852","Bai, Ming; Zhang, Yan; Zhang, Chongxi","Dimethyl 3,3'-[(4,5-dicyano-1,2-phenylene)bis(oxy)]dibenzoate","Acta Crystallographica Section E","2012","68","9","o2611","","10.1107/S1600536812027432","","","1.54178","CuKα","","0.0489","0.0394","","","0.1092","0.1192","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236243","8.3642","0.0008","22.032","0.002","12.4485","0.0013","90","","92.311","0.003","90","","2292.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2- methyl-1,6,7,8,9,9a-hexahydropyrido[1,2-<i>a</i>]pyrimidin-4-one nitrate","","- C23 H29 F N5 O6 -","- C23 H29 F N5 O6 -","- C92 H116 F4 N20 O24 -","4","1","HB6895","Ge, Jingshui; Luo, Yang-Hui","Paliperidonium nitrate","Acta Crystallographica Section E","2012","68","10","o2932","","10.1107/S160053681203841X","","","0.71075","MoKα","","0.1216","0.063","","","0.1535","0.1779","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236244","14.7716","0.0005","23.7255","0.0009","18.0458","0.0007","90","","90.325","0.003","90","","6324.3","0.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Cryptand-222)potassium bis(cyanato-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>) cobaltate(III) chlorobenzene hemisolvate","","- C67 H66.5 Cl0.5 Co K N8 O8 -","- C64 H64 Co K N8 O8 -","- C256 H256 Co4 K4 N32 O32 -","4","1","HB6905","Belhaj Ali, Bader; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","(2.2.2-Cryptand)potassium bis(cyanato-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cobaltate(III) chlorobenzene hemisolvate","Acta Crystallographica Section E","2012","68","10","m1262","m1263","10.1107/S1600536812038317","","","0.71073","MoKα","","0.0611","0.0448","","","0.1149","0.1216","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236245","24.8732","0.001","8.9875","0.0004","21.3722","0.0009","90","","114.921","0.001","90","","4332.9","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4,4''-difluoro- 5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxamide","","- C27 H16 F2 N2 O4 -","- C27 H16 F2 N2 O4 -","- C216 H128 F16 N16 O32 -","8","2","HB6906","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4,4''-difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxamide","Acta Crystallographica Section E","2012","68","9","o2619","o2620","10.1107/S160053681203365X","","","0.71073","MoKα","","0.0775","0.0562","","","0.154","0.1678","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236246","9.6541","0.0004","30.9983","0.0014","24.3469","0.001","90","","97.93","0.001","90","","7216.4","0.5","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium iodide","","- C19 H15 I N4 -","- C19 H15 I N4 -","- C304 H240 I16 N64 -","16","4","HB6907","Fun, Hoong-Kun; Chia, Tze Shyang; Mostafa, Gamal A. E.; Abunassif, Mohamed M.; Abdel-Aziz, Hatem A.","2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium iodide","Acta Crystallographica Section E","2012","68","9","o2621","","10.1107/S1600536812033661","","","0.71073","MoKα","","0.0889","0.0751","","","0.1663","0.1718","","","","","","1.261","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236247","24.7506","0.0012","12.1689","0.0006","12.8408","0.0005","90","","90","","90","","3867.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(<i>E</i>)-({4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]- 6-hydroxyphenolate","","- C19 H18 N4 O4 S -","- C19 H18 N4 O4 S -","- C152 H144 N32 O32 S8 -","8","1","HB6908","Tahir, M. Nawaz; Khan, Abdul Haleem; Iqbal, Mohammad S.; Shad, Hazoor Ahmad; Yaqub, Muhammad","2-[(<i>E</i>)-({4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]-6-hydroxyphenolate","Acta Crystallographica Section E","2012","68","9","o2687","","10.1107/S1600536812034757","","","0.71073","MoKα","","0.1411","0.0543","","","0.1152","0.1508","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236248","12.1721","0.0005","7.7697","0.0003","27.22","0.0008","90","","90","","90","","2574.29","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-2-Benzylidenebenzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol- 3(2<i>H</i>)-one","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C128 H80 N16 O8 S8 -","8","1","HB6910","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","(<i>Z</i>)-2-Benzylidenebenzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","9","o2705","","10.1107/S1600536812035003","","","1.54178","CuKα","","0.0529","0.0456","","","0.1205","0.1269","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236249","10.4078","0.0002","14.0839","0.0003","14.2468","0.0003","87.595","0.002","80.875","0.002","86.85","0.002","2057.62","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(1,5-Diphenyl-4-phenylsulfonyl-1<i>H</i>-pyrazol-3-yl)ethanone","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","2","HB6911","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","1-(1,5-Diphenyl-4-phenylsulfonyl-1<i>H</i>-pyrazol-3-yl)ethanone","Acta Crystallographica Section E","2012","68","9","o2725","","10.1107/S1600536812035027","","","1.54178","CuKα","","0.0466","0.0416","","","0.1195","0.1227","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236250","9.7106","0.0002","8.9468","0.0002","9.8487","0.0002","90","","101.425","0.001","90","","838.69","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Oxo-3-(piperidin-1-yl)propanenitrile","","- C8 H12 N2 O -","- C8 H12 N2 O -","- C32 H48 N8 O4 -","4","1","HB6912","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","3-Oxo-3-(piperidin-1-yl)propanenitrile","Acta Crystallographica Section E","2012","68","9","o2726","","10.1107/S1600536812035015","","","1.54178","CuKα","","0.0542","0.0526","","","0.1259","0.1283","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236251","9.7836","0.0004","6.3682","0.0003","16.233","0.0006","90","","100.351","0.003","90","","994.92","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>Z</i>)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)- 3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile","","- C24 H18 N2 O3 S -","- C24 H18 N2 O3 S -","- C48 H36 N4 O6 S2 -","2","1","HB6913","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","(<i>Z</i>)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)-3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile","Acta Crystallographica Section E","2012","68","9","o2727","","10.1107/S1600536812035039","","","1.54178","CuKα","","0.0616","0.044","","","0.1096","0.1191","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236252","8.9507","0.0001","10.7929","0.0002","15.0204","0.0002","90","","95.126","0.001","90","","1445.23","0.04","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyclopentylidenehydrazinecarboxamide","","- C6 H11 N3 O -","- C6 H11 N3 O -","- C48 H88 N24 O8 -","8","2","HB6915","Fun, Hoong-Kun; Loh, Wan-Sin; Padaki, Mahesh; Isloor, Arun M.; Isloor, Nishitha A.","2-Cyclopentylidenehydrazinecarboxamide","Acta Crystallographica Section E","2012","68","9","o2675","o2676","10.1107/S1600536812034599","","","0.71073","MoKα","","0.0757","0.0487","","","0.0993","0.1138","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236253","6.5952","0.0013","13.696","0.003","17.039","0.003","90","","92.93","0.002","90","","1537.1","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dimorpholinium tetrachloridocobaltate(II)","","- C8 H20 Cl4 Co N2 O2 -","- C8 H20 Cl4 Co N2 O2 -","- C32 H80 Cl16 Co4 N8 O8 -","4","1","HB6916","Cao, Xing-Xing; Cheng, He-Long; Feng, Qing-Liu; Chen, Li-Zhuang","Dimorpholinium tetrachloridocobaltate(II)","Acta Crystallographica Section E","2012","68","9","m1198","","10.1107/S1600536812035830","","","0.71073","MoKα","","0.0244","0.0216","","","0.0701","0.0741","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236254","28.5425","0.0017","9.547","0.0005","11.4047","0.0007","90","","103.224","0.002","90","","3025.3","0.3","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2,3-Dibromo-3-(4-chlorophenyl)-1-(4-nitrothiophen-2-yl)propan-1-one","","- C13 H8 Br2 Cl N O3 S -","- C13 H8 Br2 Cl N O3 S -","- C104 H64 Br16 Cl8 N8 O24 S8 -","8","1","HB6917","Fun, Hoong-Kun; Arshad, Suhana; Shetty, Shobhitha; Kalluraya, Balakrishna; Babu, M.","2,3-Dibromo-3-(4-chlorophenyl)-1-(4-nitrothiophen-2-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2681","","10.1107/S1600536812034551","","","0.71073","MoKα","","0.0522","0.0411","","","0.1057","0.1121","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236255","6.7502","0.0003","10.1253","0.0005","13.7792","0.0008","105.354","0.001","98.976","0.001","107.369","0.001","838.01","0.07","100","1","100","0.1","","","","","","","","6","P -1","-P 1","2","","1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1- yl]butan-1-one","","- C19 H18 Br F N2 O -","- C19 H18 Br F N2 O -","- C38 H36 Br2 F2 N4 O2 -","2","1","HB6918","Fun, Hoong-Kun; Loh, Wan-Sin; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]butan-1-one","Acta Crystallographica Section E","2012","68","9","o2655","o2656","10.1107/S1600536812034368","","","0.71073","MoKα","","0.0278","0.0246","","","0.0648","0.0663","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236256","3.9376","0.0004","20.999","0.003","13.27","0.0015","90","","95.035","0.007","90","","1093","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(5-Bromo-2-methoxyphenyl)-2-fluoropyridine","","- C12 H9 Br F N O -","- C12 H9 Br F N O -","- C48 H36 Br4 F4 N4 O4 -","4","1","HB6919","Adeel, Muhammad; Elahi, Fazal; Tahir, M. Nawaz","5-(5-Bromo-2-methoxyphenyl)-2-fluoropyridine","Acta Crystallographica Section E","2012","68","9","o2654","","10.1107/S1600536812034435","","","0.71073","MoKα","","0.0635","0.0347","","","0.0615","0.068","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236257","8.8468","0.0007","10.7392","0.0008","10.9764","0.0008","113.377","0.002","90.656","0.002","104.695","0.002","918.52","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Methyl (<i>E</i>)-3,5-dimethoxy-2-{[2-(4-methoxybenzoyl)hydrazin-1- ylidene]methyl}benzoate","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","HB6920","Naz, Humera; Taha, Muhammad; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Yousuf, Sammer","Methyl (<i>E</i>)-3,5-dimethoxy-2-{[2-(4-methoxybenzoyl)hydrazin-1-ylidene]methyl}benzoate","Acta Crystallographica Section E","2012","68","9","o2671","","10.1107/S1600536812034782","","","0.71073","MoKα","","0.0819","0.0469","","","0.0986","0.1142","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236258","14.569","0.002","7.2737","0.001","11.3933","0.0015","90","","108.827","0.003","90","","1142.8","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-(2-Fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","HB6921","Fun, Hoong-Kun; Farhadikoutenaei, Abbas; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.","(2<i>E</i>)-3-(2-Fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","9","o2658","","10.1107/S1600536812034411","","","0.71073","MoKα","","0.0604","0.0415","","","0.1072","0.1205","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236259","5.4954","0.0003","15.5097","0.001","15.5106","0.0009","90","","94.043","0.003","90","","1318.71","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Benzenesulfonamido-3-methylbutyric acid","","- C11 H15 N O4 S -","- C11 H15 N O4 S -","- C44 H60 N4 O16 S4 -","4","2","HB6922","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Aabideen, Zain Ul; Asiri, Abdullah M.","2-Benzenesulfonamido-3-methylbutyric acid","Acta Crystallographica Section E","2012","68","9","o2665","","10.1107/S1600536812034393","","","0.71073","MoKα","","0.0411","0.0358","","","0.0906","0.0934","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236260","4.7603","0.0001","11.4614","0.0003","26.6255","0.0006","90","","90","","90","","1452.68","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-Bromophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C72 H56 Br4 N4 O4 -","4","1","HB6923","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(2-Bromophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2012","68","9","o2657","","10.1107/S1600536812034423","","","0.71073","MoKα","","0.0345","0.0287","","","0.0593","0.0612","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236261","18.663","0.0016","17.1713","0.0015","22.5648","0.0019","90","","90","","90","","7231.3","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Diphenyl-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","","- C20 H14 Cl3 N O -","- C20 H14 Cl3 N O -","- C320 H224 Cl48 N16 O16 -","16","2","HB6924","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2,2-Diphenyl-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","Acta Crystallographica Section E","2012","68","9","o2659","o2660","10.1107/S160053681203440X","","","0.71073","MoKα","","0.0808","0.0467","","","0.0992","0.1136","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236262","14.9176","0.0008","6.6527","0.0004","19.5792","0.001","90","","110.689","0.001","90","","1817.78","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)- 2-[4-(methylsulfanyl)phenyl]acetamide","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C80 H84 N12 O8 S4 -","4","1","HB6925","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-[4-(methylsulfanyl)phenyl]acetamide","Acta Crystallographica Section E","2012","68","9","o2677","","10.1107/S1600536812034605","","","0.71073","MoKα","","0.055","0.0416","","","0.1066","0.1158","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236263","4.7146","0.0006","22.999","0.003","13.535","0.0015","90","","91.138","0.003","90","","1467.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-<i>N</i>-(2,6-dimethylphenyl)acetamide","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C64 H64 Br4 N4 O4 -","4","1","HB6926","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(2,6-dimethylphenyl)acetamide","Acta Crystallographica Section E","2012","68","9","o2678","","10.1107/S1600536812034617","","","0.71073","MoKα","","0.1391","0.052","","","0.1077","0.1425","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236264","13.9169","0.0013","5.5188","0.0005","15.1836","0.0014","90","","100.311","0.002","90","","1147.34","0.18","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C44 H36 Cl4 N8 O4 S4 -","4","1","HB6927","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Chlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2012","68","9","o2679","","10.1107/S1600536812034629","","","0.71073","MoKα","","0.0464","0.0359","","","0.1063","0.116","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236265","13.7017","0.001","14.1585","0.001","8.2698","0.0005","90","","93.151","0.003","90","","1601.88","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-<i>N</i>-(2-Chlorobenzyl)-2-(2-oxo-2,3-dihydro-1<i>H</i>-indol- 3-ylidene)hydrazinecarbothioamide","","- C16 H13 Cl N4 O S -","- C16 H13 Cl N4 O S -","- C64 H52 Cl4 N16 O4 S4 -","4","1","HB6928","Pervez, Humayun; Khan, Nazia; Iqbal, Mohammad S.; Yaqub, Muhammad; Tahir, M. Nawaz","(2<i>Z</i>)-<i>N</i>-(2-Chlorobenzyl)-2-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","9","o2731","","10.1107/S1600536812035076","","","0.71073","MoKα","","0.0785","0.043","","","0.0921","0.1053","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236266","6.6878","0.0005","7.042","0.0005","29.249","0.002","90","","94.233","0.002","90","","1373.74","0.17","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-[(pyridin-4-yl)methylidene]benzohydrazide monohydrate","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","HB6930","Taha, Muhammad; Naz, Humera; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Sammer, Yousuf","(<i>E</i>)-4-Methoxy-<i>N</i>'-[(pyridin-4-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","9","o2778","","10.1107/S1600536812034988","","","0.71073","MoKα","","0.0876","0.0468","","","0.1096","0.1464","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236267","19.9229","0.0001","19.9229","","7.3302","0.0001","90","","90","","90","","2909.52","0.04","100","2","100","2","","","","","","","","3","P 42","P 4c","77","(20<i>S</i>)-Dammar-24-ene-3β,20-diol","(1<i>R</i>,2<i>R</i>,5<i>R</i>,7<i>R</i>,10<i>R</i>,11<i>R</i>,14<i>S</i>, 15<i>R</i>)-14-[(2<i>S</i>)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11- pentamethyltetracyclo[8.7.0.0^2,7^.0^11,15^]heptadecan-5-ol monohydrate","","- C30 H54 O3 -","- C30 H54 O3 -","- C120 H216 O12 -","4","1","HB6931","Safariari, Agus; Supriadin, Asep; Supratman, Unang; Awang, Khalijah; Ng, Seik Weng","(20<i>S</i>)-Dammar-24-ene-3β,20-diol monohydrate from the bark of <i>Aglaia exima</i> (Meliaceae)","Acta Crystallographica Section E","2012","68","9","o2712","o2713","10.1107/S1600536812034976","","","1.54184","CuKα","","0.0818","0.0768","","","0.2605","0.2656","","","","","","1.147","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236268","16.487","0.005","13.571","0.004","20.903","0.005","90","","125.297","0.005","90","","3817.2","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tricarbonylbis(triphenylphosphane-κ<i>P</i>)iridium(I) hexafluoridophosphate methanol monosolvate","","- C40 H34 F6 Ir O4 P3 -","- C40 H34 F6 Ir O4 P3 -","- C160 H136 F24 Ir4 O16 P12 -","4","1","HB6932","Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas","Tricarbonylbis(triphenylphosphane-κ<i>P</i>)iridium(I) hexafluoridophosphate methanol monosolvate","Acta Crystallographica Section E","2012","68","9","m1187","m1188","10.1107/S1600536812035593","","","0.71069","MoKα","","0.0225","0.0188","","","","0.0441","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236269","5.1513","0.0004","10.6761","0.0009","13.2849","0.0008","90","","93.689","0.004","90","","729.1","0.09","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-Acetyl-5-chloro-3-nitro-<i>L</i>-tyrosine ethyl ester","","- C13 H15 Cl N2 O6 -","- C13 H15 Cl N2 O6 -","- C26 H30 Cl2 N4 O12 -","2","1","HB6933","Mutahi, Teresa T.; Edagwa, Benson J.; Fronczek, Frank R.; Uppu, Rao M.","<i>N</i>-Acetyl-5-chloro-3-nitro-<small>L</small>-tyrosine ethyl ester","Acta Crystallographica Section E","2012","68","9","o2810","o2811","10.1107/S1600536812036380","","","1.54184","CuKα","","0.0345","0.0344","","","0.091","0.0912","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236270","21.1387","0.0012","5.4443","0.0002","18.3484","0.0011","90","","107.81","0.007","90","","2010.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-1-(5-{[(2-phenylethenyl)sulfonyl]methyl}- 1,3,4-oxadiazol-2-yl)methanesulfonamide","","- C18 H16 Cl N3 O5 S2 -","- C18 H16 Cl N3 O5 S2 -","- C72 H64 Cl4 N12 O20 S8 -","4","1","HB6934","Muralikrishna, A.; Kannan, M.; Padmavathi, V.; Padmaja, A.; Krishna, R.","<i>N</i>-(4-Chlorophenyl)-1-(5-{[(2-phenylethenyl)sulfonyl]methyl}-1,3,4-oxadiazol-2-yl)methanesulfonamide","Acta Crystallographica Section E","2012","68","10","o2954","","10.1107/S1600536812037300","","","0.7107","MoKα","","0.1032","0.051","","","0.1305","0.1712","","","","","","0.873","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236271","7.2396","0.0008","10.5918","0.0011","11.7718","0.0015","90","","99.122","0.001","90","","891.25","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Phenylcarbamoyl)acrylic acid","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","HB6935","Jin, Shouwen; Huang, Yanfei; Wei, Shuaishuai; Zhou, Yong; Zhou, Yingping","3-(Phenylcarbamoyl)acrylic acid","Acta Crystallographica Section E","2012","68","9","o2736","","10.1107/S1600536812035581","","","0.71073","MoKα","","0.0867","0.0493","","","0.1282","0.1572","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236272","12.2633","0.001","7.4805","0.0006","14.5767","0.0011","90","","101.576","0.004","90","","1310","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","HB6936","Tahir, M. Nawaz; Khan, Abdul Haleem; Tariq, Muhammad Ilyas; Hussain, Ishtiaq; Shafiq, Muhammad","4-Bromo-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","9","o2730","","10.1107/S1600536812035635","","","0.71073","MoKα","","0.0471","0.0283","","","0.0666","0.0731","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236273","11.1846","0.0007","11.1909","0.0007","13.1806","0.0008","90","","110.368","0.001","90","","1546.61","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(3,4,5-trihydroxybenzylidene)benzohydrazide methanol monosolvate","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","HB6938","Taha, Muhammad; Naz, Humera; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Yousuf, Sammer","(<i>E</i>)-4-Methoxy-<i>N</i>'-(3,4,5-trihydroxybenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","10","o2846","","10.1107/S1600536812036550","","","0.71073","MoKα","","0.0555","0.042","","","0.1049","0.1144","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236274","10.2317","0.0004","26.2823","0.0008","7.8406","0.0003","90","","109.122","0.002","90","","1992.1","0.13","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3'<i>R</i>)-3'-Benzyl-2',3'-dihydro-1<i>H</i>-spiro[indole-3,1'- naphtho[2,3-<i>c</i>]pyrrole]-2,4',9'-trione","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","1","HB6939","Sharma, Garima; Kumar, S. Vasanth; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(3'<i>R</i>)-3'-Benzyl-2',3'-dihydro-1<i>H</i>-spiro[indole-3,1'-naphtho[2,3-<i>c</i>]pyrrole]-2,4',9'-trione","Acta Crystallographica Section E","2012","68","9","o2769","o2770","10.1107/S1600536812036227","","","0.71073","MoKα","","0.1204","0.0644","","","0.1505","0.1775","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236275","9.3334","0.0005","10.3635","0.0004","27.8258","0.0011","90","","92.924","0.004","90","","2688","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide","","- C25 H29 Br N4 O3 S2 -","- C25 H29 Br N4 O3 S2 -","- C100 H116 Br4 N16 O12 S8 -","4","1","HB6940","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2767","","10.1107/S1600536812036185","","","0.71073","MoKα","","0.0886","0.0536","","","0.1055","0.1228","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236276","14.6921","0.0014","9.7598","0.0003","13.1195","0.0013","90","","133.608","0.017","90","","1362.2","0.4","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}cobalt(II)","","- C28 H18 Br4 Co F2 N2 O2 -","- C28 H18 Br4 Co F2 N2 O2 -","- C56 H36 Br8 Co2 F4 N4 O4 -","2","0.5","HB6941","Yu, Hong; Chen, Zhu-Jun; Jin, Yue-Bao; Chang, Yong-Kang; Lei, Ke-Wei","Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1423","","10.1107/S1600536812043929","","","0.71073","MoKα","","0.0448","0.0374","","","0.0749","0.0787","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236277","14.1575","0.0002","6.9399","0.0001","15.975","0.0002","90","","101.591","0.001","90","","1537.56","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-oxo-3<i>H</i>-benzo[<i>f</i>]chromen-1-yl)methyl <i>N</i>,<i>N</i>-dimethylcarbamodithioate","","- C17 H15 N O2 S2 -","- C17 H15 N O2 S2 -","- C68 H60 N4 O8 S8 -","4","1","HB6942","Mahabaleshwaraiah, N. M.; Ravi, H. R.; Vinduvahini, M.; Sreepad, H. R.; Kotresh, O.","(3-Oxo-3<i>H</i>-benzo[<i>f</i>]chromen-1-yl)methyl <i>N</i>,<i>N</i>-dimethylcarbamodithioate","Acta Crystallographica Section E","2012","68","10","o3001","","10.1107/S160053681203975X","","","0.71073","MoKα","","0.0391","0.0343","","","0.0994","0.1035","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236278","12.289","0.003","14.185","0.003","10.98","0.002","90","","98.21","0.03","90","","1894.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl <i>N</i>-{4-[<i>N</i>-(4-hydroxyphenyl)carbamoyl]benzyl}carbamate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","HB6946","Yu, Hai-Yang; Fang, Xin; Huang, Ming-Dong; Wang, Jun-Dong","<i>tert</i>-Butyl <i>N</i>-{4-[<i>N</i>-(4-hydroxyphenyl)carbamoyl]benzyl}carbamate","Acta Crystallographica Section E","2012","68","10","o3023","","10.1107/S1600536812036999","","","0.71073","MoKα","","0.0598","0.0556","","","0.1617","0.1658","","","","","","1.134","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236279","9.8318","0.0003","10.3822","0.0003","13.4393","0.0004","96.654","0.003","103.085","0.003","107.714","0.003","1247.36","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}- 4-methoxyphenyl)-4-methylbenzenesulfonamide","","- C23 H25 Br N4 O3 S2 -","- C23 H25 Br N4 O3 S2 -","- C46 H50 Br2 N8 O6 S4 -","2","1","HB6947","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2831","","10.1107/S1600536812037257","","","0.71073","MoKα","","0.0474","0.0366","","","0.0864","0.0931","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236280","7.485","0.002","10.834","0.003","11.673","0.003","73.858","0.005","77.961","0.006","76.941","0.006","874.9","0.4","100","1","100","","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-[4-(Hexyloxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","HB6948","Fadzillah, Siti Muhaini Haris; Ngaini, Zainab; Hussain, Hasnain; Razak, Ibrahim Abdul; Asik, Safra Izuani Jama","(<i>E</i>)-1-[4-(Hexyloxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2909","","10.1107/S1600536812038007","","","0.71073","MoKα","","0.0513","0.0412","","","0.1179","0.1326","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236281","8.3998","0.0001","11.2082","0.0002","12.4816","0.0002","112.004","0.001","96.85","0.001","93.191","0.001","1075.28","0.03","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","4'-(3-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]- 1,3,1''-trione","","- C27 H20 Br N O3 -","- C27 H20 Br N O3 -","- C54 H40 Br2 N2 O6 -","2","1","HB6949","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","4'-(3-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2012","68","10","o2907","o2908","10.1107/S1600536812037993","","","0.71073","MoKα","","0.0309","0.0278","","","0.0737","0.0752","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236282","13.8663","0.0012","12.3512","0.001","7.6947","0.0006","90","","96.39","0.002","90","","1309.65","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>E</i>)-3-(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)prop-2-enoate","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","HB6950","Yousuf, Sammer; Mukhtar, Asma; Ambreen, Nida; Saad, Syed Muhammad; Khan, Khalid M.","Ethyl (<i>E</i>)-3-(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)prop-2-enoate","Acta Crystallographica Section E","2012","68","10","o2948","","10.1107/S1600536812038585","","","0.71073","MoKα","","0.0714","0.0475","","","0.1262","0.142","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236283","11.517","0.0014","13.9586","0.0015","26.413","0.003","90","","90","","90","","4246.2","0.8","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tetramethyl 1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-5,6,11,12-tetracarboxylate","","- C22 H24 O10 -","- C22 H24 O10 -","- C176 H192 O80 -","8","1","HB6952","Lough, Alan J.; Jack, Kelsey; Tam, William","Tetramethyl 1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate","Acta Crystallographica Section E","2012","68","10","o2961","","10.1107/S1600536812039219","","","0.71073","MoKα","","0.0799","0.0415","","","0.0854","0.0957","","","","","","0.895","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236284","5.8376","0.001","9.4895","0.0017","14.924","0.003","99.926","0.004","98.545","0.004","100.462","0.004","786.9","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Tetra-<i>tert</i>-butyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-5,6,11,12-tetracarboxylate","","- C32 H44 O10 -","- C32 H44 O10 -","- C32 H44 O10 -","1","0.5","HB6953","Lough, Alan J.; Jack, Kelsey; Tam, William","Tetra-<i>tert</i>-butyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate","Acta Crystallographica Section E","2012","68","10","o2962","","10.1107/S1600536812039220","","","0.71073","MoKα","","0.0481","0.0399","","","0.0977","0.1037","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236285","25.1309","0.0018","10.084","0.0007","9.5922","0.0007","90","","95.43","0.002","90","","2419.9","0.3","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hexamethyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-1,4,5,6,11,12-hexacarboxylate","","- C24 H24 O14 -","- C24 H24 O14 -","- C96 H96 O56 -","4","0.5","HB6954","Lough, Alan J.; Jack, Kelsey; Tam, William","Hexamethyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-1,4,5,6,11,12-hexacarboxylate","Acta Crystallographica Section E","2012","68","10","o2963","","10.1107/S1600536812039232","","","0.71073","MoKα","","0.043","0.0351","","","0.0924","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236286","8.6268","0.0007","22.487","0.002","4.0585","0.0003","90","","90","","90","","787.31","0.11","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6-Bromo-1,3-benzothiazol-2-amine","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C28 H20 Br4 N8 S4 -","4","1","HB6956","Gao, Xing-Jun; Jin, Shou-Wen; Huang, Yan-Fei; Zhou, Yong; Zhou, Ying-Ping","6-Bromo-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","10","o3016","","10.1107/S1600536812040123","","","0.71073","MoKα","","0.1404","0.0953","","","0.2108","0.2455","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236287","7.5568","0.0006","9.7747","0.0007","15.3533","0.0012","90","","95.83","0.007","90","","1128.21","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(Pyridin-1-ium-2-yl)pyridin-1-ium dibromide","2,2'-Bipyridine-1,1'-diium; dibromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C40 H40 Br8 N8 -","4","1","HB6957","Ali, Basem F.; Al-Far, Rawhi; Haddad, Salim F.","Redetermination of 2,2'-bipyridine-1,1'-diium dibromide","Acta Crystallographica Section E","2012","68","10","o3033","","10.1107/S1600536812040214","","","0.71073","MoKα","","0.065","0.0369","","","0.0646","0.0729","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236288","8.1183","0.0007","6.0636","0.0005","14.1453","0.0011","90","","91.904","0.001","90","","695.93","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","","- C12 H12 N4 O7 -","- C12 H12 N4 O7 -","- C24 H24 N8 O14 -","2","1","HB6958","Wei, Shuaishuai; Jin, Shouwen; Hu, Zhaofeng; Zhou, Yong; Zhou, Yingping","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2012","68","11","o3117","","10.1107/S1600536812041906","","","0.71073","MoKα","","0.0669","0.0466","","","0.0969","0.1047","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236289","3.9466","0.0001","10.5956","0.0004","14.3647","0.0006","74.656","0.002","82.595","0.002","79.426","0.002","567.39","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]isonicotinohydrazide","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","HB6959","Dileep, C. S.; Abdoh, M. M. M; Chakravarthy, M. P.; Mohana, K. N.; Sridhar, M. A.","(<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]isonicotinohydrazide","Acta Crystallographica Section E","2012","68","10","o2972","","10.1107/S1600536812039426","","","0.71073","MoKα","","0.0412","0.0352","","","0.0976","0.1044","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236290","8.6541","0.0001","25.8809","0.0003","18.3892","0.0002","90","","92.208","0.001","90","","4115.68","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3- <i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>-(3-methoxybenzyl)acetamide","","- C21 H22 N4 O4 S -","- C21 H22 N4 O4 S -","- C168 H176 N32 O32 S8 -","8","2","HB6961","Ahmad, Matloob; Siddiqui, Hamid Latif; Zia-ur-Rehman, Muhammad; Aslam, Sana; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>-(3-methoxybenzyl)acetamide","Acta Crystallographica Section E","2012","68","11","o3064","o3065","10.1107/S1600536812040226","","","1.54178","CuKα","","0.0465","0.0358","","","0.0901","0.0979","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236291","7.7426","0.0017","23.473","0.002","20.1975","0.0016","90","","100.495","0.002","90","","3609.3","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Dimethylamino-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide methanol monosolvate","","- C18 H23 N3 O4 -","- C18 H23 N3 O4 -","- C144 H184 N24 O32 -","8","2","HB6963","Sun, Jingya","4-Dimethylamino-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","10","o2998","","10.1107/S1600536812039906","","","0.71073","MoKα","","0.148","0.052","","","0.1124","0.1552","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236292","11.26","0.0016","11.4025","0.0017","14.8398","0.0016","90","","123.773","0.007","90","","1583.8","0.4","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-[2,3-Dichloro-6-methyl-5-(trifluoromethyl)phenyl]-2- (1-phenylethylidene)hydrazine","","- C16 H13 Cl2 F3 N2 -","- C16 H13 Cl2 F3 N2 -","- C64 H52 Cl8 F12 N8 -","4","1","HB6964","Fun, Hoong-Kun; Loh, Wan-Sin; Bhat, Manjunath; Arulmoli, T.; Nagaraja, G. K.","(2<i>E</i>)-1-[2,3-Dichloro-6-methyl-5-(trifluoromethyl)phenyl]-2-(1-phenylethylidene)hydrazine","Acta Crystallographica Section E","2012","68","11","o3189","","10.1107/S1600536812042419","","","0.71073","MoKα","","0.0341","0.0293","","","0.0867","0.0903","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236293","7.0927","0.0003","25.9711","0.0011","8.7487","0.0004","90","","91.584","0.004","90","","1610.94","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Fluorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 F O4 -","- C18 H17 F O4 -","- C72 H68 F4 O16 -","4","1","HB6965","Prabuswamy, M.; Madan Kumar, S.; Bhuvaneshwar, D.; Murthy, Ch. S. S. S.; Lokanath, N. K.","1-(2-Fluorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","11","o3190","","10.1107/S1600536812043139","","","0.71073","MoKα","","0.0723","0.0392","","","0.0908","0.1004","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236294","12.422","0.003","9.3721","0.0019","22.269","0.005","90","","92.46","0.03","90","","2590.2","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetraamminelithium triamminelithium trisulfide","","- H21 Li2 N7 S3 -","- H21 Li2 N7 S3 -","- H168 Li16 N56 S24 -","8","2","HB6966","Guentner, Christian; Korber, Nikolaus","Tetraamminelithium triamminelithium trisulfide, [Li(NH~3~)~4~][Li(NH~3~)~3~S~3~]","Acta Crystallographica Section E","2012","68","11","i84","i85","10.1107/S1600536812043863","","","0.71073","MoKα","","0.0848","0.0399","","","0.0705","0.0787","","","","","","0.812","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236295","24.183","0.002","9.21","0.001","18.761","0.002","90","","130.151","0.002","90","","3193.9","0.6","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-Dimethylpyrazine-2,3-dicarbonitrile","","- C8 H6 N4 -","- C8 H6 N4 -","- C128 H96 N64 -","16","2","HB6967","Bardajee, Ghasem Rezanejade; Lough, Alan J.; Winnik, Mitchell A.","5,6-Dimethylpyrazine-2,3-dicarbonitrile","Acta Crystallographica Section E","2012","68","11","o3220","","10.1107/S1600536812043474","","","0.71073","MoKα","","0.0522","0.0389","","","0.1003","0.1098","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236296","10.8191","0.0009","7.322","0.0006","15.4133","0.0013","90","","91.691","0.002","90","","1220.47","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (<i>E</i>)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate","","- C12 H8 N2 O6 -","- C12 H8 N2 O6 -","- C48 H32 N8 O24 -","4","1","HB6968","Bakthadoss, M.; Devaraj, A.; Lakshmanan, D.; Murugavel, S.","Methyl (<i>E</i>)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate","Acta Crystallographica Section E","2012","68","11","o3184","","10.1107/S1600536812043164","","","0.71073","MoKα","","0.0798","0.0455","","","0.1108","0.1285","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236297","8.192","0.002","14.52","0.002","8.734","0.0017","90","","98.466","0.002","90","","1027.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","HB6969","Zhang, Xiao-Yi; Han, Xiao-Lin; Qian, Zhi-Bin","2-Cyano-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2012","68","11","o3203","","10.1107/S1600536812042869","","","0.71073","MoKα","","0.1285","0.0637","","","0.1159","0.1428","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236298","13.6081","0.0006","14.5662","0.0005","14.7502","0.0007","74.439","0.004","69.077","0.004","62.581","0.004","2405.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)benzenesulfonamide","","- C22 H23 Br N4 O3 S2 -","- C22 H23 Br N4 O3 S2 -","- C88 H92 Br4 N16 O12 S8 -","4","2","HB6971","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","11","o3209","o3210","10.1107/S1600536812043668","","","0.71073","MoKα","","0.0776","0.0423","","","0.0858","0.1027","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236299","12.4508","0.0003","10.1924","0.0003","14.0188","0.0004","90","","100.953","0.002","90","","1746.63","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Oxo-3<i>H</i>-benzo[<i>f</i>]chromen-1-yl)methyl piperidine-1-carbodithioate","","- C20 H19 N O2 S2 -","- C20 H19 N O2 S2 -","- C80 H76 N4 O8 S8 -","4","1","HB6973","Kotresh, O.; Kumar, K. Mahesh; Mahabaleshwaraiah, N. M.; Arunkashi, H. K.; Devarajegowda, H. C.","(3-Oxo-3<i>H</i>-benzo[<i>f</i>]chromen-1-yl)methyl piperidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","11","o3167","","10.1107/S1600536812042870","","","0.71073","MoKα","","0.0456","0.034","","","0.0776","0.0817","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236300","12.2394","0.0005","5.5009","0.0002","14.5537","0.0011","90","","116.631","0.004","90","","875.92","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Chloromethylsulfinyl-2-nitrobenzene","","- C7 H6 Cl N O3 S -","- C7 H6 Cl N O3 S -","- C28 H24 Cl4 N4 O12 S4 -","4","1","HB6974","Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Daran, Jean-Claude","1-Chloromethylsulfinyl-2-nitrobenzene","Acta Crystallographica Section E","2012","68","11","o3207","","10.1107/S1600536812043553","","","0.71073","MoKα","","0.0338","0.0263","","","0.0696","0.0712","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236301","5.4209","0.0001","24.4894","0.0005","10.0555","0.0002","90","","98.552","0.002","90","","1320.07","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-2-(4-methoxyphenyl)ethanone","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","HB6975","Asiri, Abdullah M.; Abo-Dya, Nader E.; Arshad, Muhammad Nadeem; Alamry, Khalid A.; Shafiq, Muhammad","1-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-2-(4-methoxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","11","o3221","","10.1107/S1600536812043759","","","1.54184","CuKα","","0.0447","0.0391","","","0.1037","0.109","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236302","11.3426","0.0004","6.8512","0.0003","8.113","0.0003","90","","113.784","0.004","90","","576.92","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diammonium hydrogenarsenate(V)","","- As H9 N2 O4 -","- As H9 N2 O4 -","- As4 H36 N8 O16 -","4","1","HB6976","Weil, Matthias","Redetermination of (NH~4~)~2~HAsO~4~","Acta Crystallographica Section E","2012","68","11","i82","","10.1107/S1600536812043565","","","0.71073","MoKα","","0.0317","0.0221","","","0.0512","0.0551","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236303","8.0789","0.0001","9.2754","0.0002","11.3555","0.0002","71.283","0.001","72.645","0.001","70.042","0.001","740.3","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran","","- C16 H12 Br F O3 S -","- C16 H12 Br F O3 S -","- C32 H24 Br2 F2 O6 S2 -","2","1","HB6977","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","11","o3208","","10.1107/S1600536812043607","","","0.71073","MoKα","","0.0334","0.0277","","","0.0712","0.0743","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236304","8.6177","0.0004","12.4157","0.0006","26.8632","0.0013","90","","90","","90","","2874.2","0.2","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-epiclusianone","3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2- enyl)bicyclo[3.3.1]non-3-ene-2,9-dione","","- C33 H42 O4 -","- C33 H42 O4 -","- C132 H168 O16 -","4","1","HB6978","Christian, Omar E.; Fronczek, Frank R.; Ky, Khoa; Pradhan, Shreedu; Manandhar, Anjela; Richmond, Cecilia","Redetermination and absolute configuration of (+)-7-epiclusianone","Acta Crystallographica Section E","2012","68","11","o3222","o3223","10.1107/S1600536812043784","","","1.54184","CuKα","","0.0281","0.0279","","","0.0734","0.0735","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236305","11.287","0.002","13.572","0.003","16.307","0.003","109.03","0.03","102.98","0.03","93.93","0.03","2273.7","1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(triphenylphosphane- κ<i>P</i>)copper(I)] nonadecaoxidohexamolybdate(VI)","","- C96 H76 Cu2 Mo6 N4 O19 P4 -","- C96 H76 Cu2 Mo6 N4 O19 P4 -","- C96 H76 Cu2 Mo6 N4 O19 P4 -","1","0.5","HG5234","Gschwind, Fabienne; Jansen, Martin","Bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(triphenylphosphane-κ<i>P</i>)copper(I)] nonadecaoxidohexamolybdate(VI)","Acta Crystallographica Section E","2012","68","9","m1206","m1207","10.1107/S1600536812036367","","","0.71073","MoKα","","0.0386","0.0261","","","0.0594","0.063","","","","","","0.856","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236306","20.517","0.002","4.8374","0.0005","21.366","0.003","90","","153.566","0.007","90","","944","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Dimethoxy-2,2'-{[(<i>E</i>,<i>E</i>)-hydrazine-1,2- diylidene]bis(methanylylidene)}diphenol methanol disolvate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","0.5","HG5235","Randell, Nicholas M.; Thompson, Laurence K.; Dawe, Louise N.","6,6'-Dimethoxy-2,2'-{[(<i>E</i>,<i>E</i>)-hydrazine-1,2-diylidene]bis(methanylylidene)}diphenol methanol disolvate","Acta Crystallographica Section E","2012","68","9","o2711","","10.1107/S1600536812034940","","","0.71075","MoKα","","0.0698","0.0619","","","0.1865","0.1944","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236307","11.9235","0.0016","10.7836","0.0016","19.805","0.003","90","","97.252","0.003","90","","2526.1","0.6","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Bis[(Cyanido-κ<i>C</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>') copper(II)] pentakis(cyanido-κ<i>C</i>)nitrosoferrate(II) dimethylformamide monosolvate","","- C58 H39 Cu2 Fe N17 O2 -","- C58 H39 Cu2 Fe N17 O2 -","- C116 H78 Cu4 Fe2 N34 O4 -","2","0.5","HG5236","Kozachuk, Olesia V.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Bis[(cyanido-κ<i>C</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] pentakis(cyanido-κ<i>C</i>)nitrosoferrate(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","9","m1218","m1219","10.1107/S1600536812036264","","","0.71073","MoKα","","0.1022","0.0516","","","0.1091","0.1349","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236308","13.148","0.0005","5.5912","0.0002","19.7579","0.0007","90","","91.558","0.002","90","","1451.93","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1,4-Diphenylbut-1-en-3-ynyl acetate","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","HG5238","Chen, Zheng-Wang; Chen, Hai-Chuan; Ye, Dong-Nai; Hu, Qiao-Sheng","(<i>Z</i>)-1,4-Diphenylbut-1-en-3-ynyl acetate","Acta Crystallographica Section E","2012","68","10","o2847","","10.1107/S1600536812037439","","","0.71073","MoKα","","0.069","0.0405","","","0.104","0.1234","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236309","8.727","0.001","11.682","0.0014","16.24","0.002","90","","98.938","0.005","90","","1635.5","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-(4-Methylphenyl)-8,9-dihydro-7<i>H</i>- benzo[<i>f</i>]cyclopenta[<i>b</i>]quinolin-10(11<i>H</i>)-one","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","HG5239","Yang, Cao","11-(4-Methylphenyl)-8,9-dihydro-7<i>H</i>-benzo[<i>f</i>]cyclopenta[<i>b</i>]quinolin-10(11<i>H</i>)-one","Acta Crystallographica Section E","2012","68","9","o2746","","10.1107/S1600536812035659","","","0.71075","MoKα","","0.0535","0.0442","","","0.1186","0.1244","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236310","13.7535","0.0007","9.5266","0.0004","18.681","0.001","90","","102.829","0.003","90","","2386.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Hydroxyimino-5α-cholestane","","- C27 H47 N O -","- C27 H47 N O -","- C108 H188 N4 O4 -","4","2","HG5240","Uzzaman, Shams; Khanam, Hena; Mashrai, Ashraf; Mabkhot, Yahia Nasser; Husain, Ahmad","6-Hydroxyimino-5α-cholestane","Acta Crystallographica Section E","2012","68","10","o3037","o3038","10.1107/S1600536812040093","","","0.71073","MoKα","","0.0766","0.0494","","","0.1125","0.1291","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236311","7.927","0.0002","14.9656","0.0004","17.5565","0.0004","114.879","0.003","94.021","0.002","98.909","0.002","1845.3","0.1","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)dicyanidotetrakis[tris(2- aminoethyl)amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']tetracopper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate","","- C40 H84 Cu4 Fe3 N34 O8 -","- C40 H72 Cu4 Fe3 N34 O2 -","- C40 H72 Cu4 Fe3 N34 O2 -","1","0.5","HG5241","Kozachuk, Olesia V.; Rusanova, Julia A.; Nesterova, Oksana V.; Zubatyuk, Roman; Shishkin, Oleg V.","Tetrakis(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)dicyanidotetrakis[tris(2-aminoethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']tetracopper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate","Acta Crystallographica Section E","2012","68","10","m1266","m1267","10.1107/S1600536812038251","","","0.7107","MoKα","","0.0834","0.0507","","","0.1262","0.1381","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236312","6.1619","0.0001","10.3119","0.0002","16.5959","0.0003","75.6705","0.0007","80.0939","0.0007","85.941","0.0007","1006.04","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(<i>Z</i>)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1<i>H</i>-indole-6- carboxylate","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C50 H52 N4 O6 -","2","1","HG5242","Penthala, Narsimha Reddy; Ponugoti, Purushotham Rao; Parkin, Sean; Crooks, Peter A.","<i>rac</i>-(<i>Z</i>)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1<i>H</i>-indole-6-carboxylate","Acta Crystallographica Section E","2012","68","11","o3111","","10.1107/S1600536812040731","","","0.71073","MoKα","","0.0495","0.039","","","0.0966","0.1023","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236313","11.895","0.005","21.847","0.005","16.245","0.005","90","0.005","109.707","0.005","90","0.005","3974","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ~3~-hydroxido-tetrakis[tricarbonylrhenium(I)] pyridine tetrasolvate","","- C32 H24 N4 O16 Re4 -","- C32 H24 N4 O16 Re4 -","- C128 H96 N16 O64 Re16 -","4","1","HG5243","Schutte, M.; Brink, A.; Visser, H. G.; Roodt, A.","Tetra-μ~3~-hydroxido-tetrakis[tricarbonylrhenium(I)] pyridine tetrasolvate","Acta Crystallographica Section E","2012","68","9","m1208","m1209","10.1107/S1600536812036033","","","0.71073","MoKα","","0.0569","0.043","","","","0.0993","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236314","7.8743","0.0008","6.0582","0.0006","11.6278","0.001","90","","91.973","0.006","90","","554.36","0.09","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyanopyridine N-oxide","4-cyanopyridine <i>N</i>-oxide","","- C6 H4 N2 O -","- C6 H4 N2 O -","- C24 H16 N8 O4 -","4","1","HG5244","Moreno-Fuquen, Rodolfo; Arana, Carolina; De Simone, Carlos A.","Redetermination of 4-cyanopyridine <i>N</i>-oxide","Acta Crystallographica Section E","2012","68","9","o2805","","10.1107/S1600536812036690","","","0.71073","MoKα","","0.0702","0.0568","","","0.1536","0.1687","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236315","5.8542","0.0012","9.0365","0.0018","11.352","0.002","108.59","0.03","93.94","0.03","101.23","0.03","552.8","0.2","294","2","294","2","","","","","","","","4","P 1","P 1","1","","Benzyl 2-benzyl-4-[(3a<i>S</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a- octahydro-1<i>H</i>-isoindol-2-yl]-4-oxobutanoate","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C26 H31 N O3 -","1","1","HG5245","Shang, Zhenhua; Xu, Longpeng; Zheng, Ligang; Zhang, Yong","Benzyl 2-benzyl-4-[(3a<i>S</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-isoindol-2-yl]-4-oxobutanoate","Acta Crystallographica Section E","2012","68","10","o2853","","10.1107/S1600536812037567","","","0.71073","MoKα","","0.0673","0.0428","","","0.0929","0.1056","","","","","","0.888","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236316","23.892","0.002","7.9999","0.0008","15.4182","0.0015","90","","90.028","0.001","90","","2946.9","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dimethyl 7-methoxytetracyclo[6.4.0.0^2,4^.0^3,7^]dodeca-1(12),5,8,10-tetraene-3,4-dicarboxylate","","- C17 H16 O5 -","- C17 H16 O5 -","- C136 H128 O40 -","8","1","HG5246","Moazeni, Amin; Bender, Christopher O.; Boeré, René T.","Dimethyl 7-methoxytetracyclo[6.4.0.0^2,4^.0^3,7^]dodeca-1(12),5,8,10-tetraene-3,4-dicarboxylate","Acta Crystallographica Section E","2012","68","10","o2837","","10.1107/S1600536812037233","","","0.71073","MoKα","","0.039","0.0339","","","0.0908","0.0941","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236317","8.0665","0.0006","9.7653","0.0007","21.3191","0.0015","90","","105.56","0.002","90","","1617.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Methoxy-9-(2-methoxyphenyl)-9<i>H</i>-xanthene","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","HG5247","Jacobs, Ayesha; Amombo Noa, Francoise M.; Taljaard, Jana H.","9-Methoxy-9-(2-methoxyphenyl)-9<i>H</i>-xanthene","Acta Crystallographica Section E","2012","68","10","o2854","","10.1107/S1600536812037415","","","0.71073","MoKα","","0.0725","0.0432","","","0.1026","0.1166","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236318","10.722","0.005","22.297","0.003","9.109","0.003","90","","123.57","0.006","90","","1814.5","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[(Phenylcarbamoyl)amino]butyl <i>N</i>-phenylcarbamate","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C72 H84 N12 O12 -","4","1","HG5248","Mohamed, Shaaban K.; Bogdanović, Goran A.; Akkurt, Mehmet; Abdelhamid, Antar A.; Younes, Sabry H. H.","2-[(Phenylcarbamoyl)amino]butyl <i>N</i>-phenylcarbamate","Acta Crystallographica Section E","2012","68","10","o2905","","10.1107/S1600536812038081","","","1.54184","CuKα","","0.0661","0.0517","","","0.1337","0.1545","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236319","9.038","0.0009","20.1878","0.0016","16.148","0.0016","90","","98.659","0.008","90","","2912.7","0.5","290","2","290","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(2,6-diisopropylphosphanyl)oxy]-4-fluorophenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}(1<i>H</i>-pyrazole- κ<i>N</i>^2^)nickel(II) hexafluorophosphate","","- C21 H34 F7 N2 Ni O2 P3 -","- C21 H34 F7 N2 Ni O2 P3 -","- C84 H136 F28 N8 Ni4 O8 P12 -","4","1","HG5249","Kwan, Man-Lung; Conry, Sara J.; Carfagna, Charles S.; Press, Loren P.; Ozerov, Oleg V.; Hoffman, Norris W.; Sykora, Richard E.","{2,6-Bis[(2,6-diisopropylphosphanyl)oxy]-4-fluorophenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II) hexafluorophosphate","Acta Crystallographica Section E","2012","68","10","m1282","m1283","10.1107/S1600536812039207","","","0.71073","MoKα","","0.0793","0.0368","","","0.087","0.1003","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236320","5.9875","0.0005","7.4025","0.0007","20.2778","0.0018","90","","93.747","0.001","90","","896.84","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2'-Acetonaphthone","1-(Naphthalen-2-yl)ethanone","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","HG5250","Shotonwa, Ibukun O.; Boeré, René T.","2'-Acetonaphthone","Acta Crystallographica Section E","2012","68","11","o3112","","10.1107/S1600536812039554","","","0.71073","MoKα","","0.0445","0.04","","","0.1135","0.1178","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236321","8.5039","0.0006","9.537","0.0006","10.7859","0.0007","102.18","0.003","102.621","0.003","110.671","0.003","757.86","0.09","446","2","446","2","","","","","","","","3","P -1","-P 1","2","","1-(5-Hydroxy-2,2,8,8-tetramethyl-2<i>H</i>,8<i>H</i>-pyrano[2,3-<i>f</i>] chromen-6-yl)ethanone","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","HG5251","Pawar, Sunayna; Cheddie, Adele; Omondi, Bernard; Koorbanally, Neil Anthony","1-(5-Hydroxy-2,2,8,8-tetramethyl-2<i>H</i>,8<i>H</i>-pyrano[2,3-<i>f</i>]chromen-6-yl)ethanone","Acta Crystallographica Section E","2012","68","10","o3048","","10.1107/S160053681204055X","","","0.71073","MoKα","","0.0452","0.0391","","","0.1128","0.1193","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236322","3.9224","0.0003","11.5175","0.001","28.957","0.003","90","","92.27","0.002","90","","1307.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,4-Dichlorobenzylidene)chroman-4-one","","- C16 H10 Cl2 O2 -","- C16 H10 Cl2 O2 -","- C64 H40 Cl8 O8 -","4","1","HG5252","Gopaul, Kaalin; Koorbanally, Neil Anthony; Shaikh, Mahidansha M.; Su, Hong; Ramjugernath, Deresh","3-(3,4-Dichlorobenzylidene)chroman-4-one","Acta Crystallographica Section E","2012","68","11","o3062","","10.1107/S1600536812040561","","","0.71073","MoKα","","0.0479","0.0341","","","0.0823","0.0885","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236323","12.1599","0.0007","9.6153","0.0004","16.2345","0.0008","90","","90","","90","","1898.16","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1<i>H</i>-Indol-3-yl)acetohydrazide","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C80 H88 N24 O8 -","8","1","HG5253","Sidra, Lala Rukh; Khan, Islam Ullah; Yar, Muhammad; Simpson, Jim","2-(1<i>H</i>-Indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","11","o3140","o3141","10.1107/S1600536812041694","","","0.71073","MoKα","","0.0999","0.0457","","","0.1013","0.1219","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236324","15.68","0.007","15.68","0.007","33.848","0.006","90","","90","","120","","7207","5","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Bis(chlorido)(dimethylsulfoxide-κO)barium(II)","","- C2 H6 Ba Cl2 O S -","- C2 H6 Ba Cl2 O S -","- C72 H216 Ba36 Cl72 O36 S36 -","36","1","HG5254","Gschwind, Fabienne; Jansen, Martin","Bis(chlorido)(dimethylsulfoxide-κO)barium(II)","Acta Crystallographica Section E","2012","68","11","m1319","","10.1107/S160053681204069X","","","0.71073","MoKα","","0.0235","0.0229","","","0.0568","0.0572","","","","","","1.248","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236325","8.1986","0.0005","11.8211","0.0006","19.6686","0.0007","90","","93.638","0.004","90","","1902.37","0.17","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,3-dihydropyrazine","2-Methyl-3-(4-methylphenyl)-5,6-diphenyl-2,3-dihydropyrazine","","- C24 H22 N2 -","- C24 H22 N2 -","- C96 H88 N8 -","4","1","HG5255","Thiruvalluvar, A.; Anuradha, N.; Chitra, S.; Devanathan, D.; Butcher, R. J.","2-Methyl-3-(4-methylphenyl)-5,6-diphenyl-2,3-dihydropyrazine","Acta Crystallographica Section E","2012","68","11","o3084","","10.1107/S1600536812041438","","","1.54184","CuKα","","0.0832","0.0688","","","0.1979","0.2142","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236326","5.2801","0.0002","11.683","0.0005","14.4803","0.0007","83.303","0.002","80.775","0.002","79.031","0.001","862.17","0.06","295","","295","","","","","","","","","3","P -1","-P 1","2","","3,5-Bis(benzyloxy)benzoic acid","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","HG5257","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","3,5-Bis(benzyloxy)benzoic acid","Acta Crystallographica Section E","2012","68","11","o3247","o3248","10.1107/S1600536812043796","","","0.71073","MoKα","","0.1013","0.0531","","","0.1633","0.1633","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236327","15.2869","0.0005","7.2881","0.0003","15.3608","0.0006","90","","97.599","0.002","90","","1696.35","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H22 O2 S -","- C20.994 H22 O2 S -","- C83.976 H88 O8 S4 -","4","1","HG5259","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","11","o3124","","10.1107/S1600536812042249","","","0.71073","MoKα","","0.0791","0.0586","","","0.1554","0.1732","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236328","10.3516","0.0002","12.4352","0.0003","15.4101","0.0003","90","","112.798","0.001","90","","1828.68","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1<i>H</i>-pyrazol-3-yl)-1,4-dihydropyridin-3-yl]ethanone monohydrate","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","HG5260","Islor, Arun M.; Malladi, Shridhar; Sundershan, S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1<i>H</i>-pyrazol-3-yl)-1,4-dihydropyridin-3-yl]ethanone monohydrate","Acta Crystallographica Section E","2012","68","11","o3156","o3157","10.1107/S1600536812042614","","","0.71073","MoKα","","0.0479","0.0398","","","0.1074","0.1138","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236329","5.4599","0.0012","10.374","0.002","13.617","0.003","93.912","0.004","99.409","0.004","97.651","0.004","750.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato- κ<i>O</i>]cobalt(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>']","","- C32 H30 Co N2 O10 -","- C32 H30 Co N2 O10 -","- C32 H30 Co N2 O10 -","1","0.5","HG5263","Sun, Changyan; Li, Yang; Li, Wenjun; Dong, Bin","<i>catena</i>-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato-κ<i>O</i>]cobalt(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2012","68","11","m1433","","10.1107/S1600536812044339","","","0.71073","MoKα","","0.085","0.0549","","","0.1169","0.1329","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236330","17.2841","0.0002","12.2151","0.0002","21.7618","0.0003","90","","94.449","0.001","90","","4580.66","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')[tris(pyridin-2- ylmethyl)amine-κ^4^<i>N</i>]cobalt(III) tetraphenylborate acetone monosolvate hemihydrate","","- C55 H51 B Co N4 O3.5 -","- C55 H51 B Co N4 O3.5 -","- C220 H204 B4 Co4 N16 O14 -","4","1","HP2037","Yu, Fan","(Naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')[tris(pyridin-2-ylmethyl)amine-κ^4^<i>N</i>]cobalt(III) tetraphenylborate acetone monosolvate hemihydrate","Acta Crystallographica Section E","2012","68","10","m1248","","10.1107/S1600536812035210","","","0.71073","MoKα","","0.0659","0.0441","","","0.1036","0.109","","","","","","1.067","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236331","8.5739","0.0008","10.3371","0.001","12.661","0.0012","68.955","0.002","80.033","0.002","70.619","0.002","986.09","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido[4-methoxy-2,6-bis(2-pyrimidin-2-yl-κ<i>N</i>)phenyl- κ<i>C</i>^1^]platinum(IV) acetonitrile monosolvate","","- C17 H14 Cl3 N5 O Pt -","- C17 H14 Cl3 N5 O Pt -","- C34 H28 Cl6 N10 O2 Pt2 -","2","1","HP2041","Wu, Yang; Xie, Dahai; Zhang, Dengqing; Li, Xianying; Jin, Wusong","Trichlorido[4-methoxy-2,6-bis(2-pyrimidin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^]platinum(IV) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","9","m1210","m1211","10.1107/S1600536812036410","","","0.71073","MoKα","","0.0353","0.0333","","","0.0838","0.0851","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236332","12.152","0.0002","12.2726","0.0002","18.7306","0.0003","90","","112.956","0.001","90","","2572.19","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triethylammoniumpentaacetatodicuprate(II)-THF-monosolvate","<i>catena</i>-Poly[triethylammonium [[tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-dicuprate(II)]- μ-acetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrofuran monosolvate]","","- C20 H39 Cu2 N O11 -","- C20 H39 Cu2 N O11 -","- C80 H156 Cu8 N4 O44 -","4","1","HP2044","Bugenhagen, Bernhard E. C.; Prosenc, Marc H.","<i>catena</i>-Poly[triethylammonium [[tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-dicuprate(II)]-μ-acetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrofuran monosolvate]","Acta Crystallographica Section E","2012","68","9","m1142","","10.1107/S1600536812033405","","","0.71073","MoKα","","0.0305","0.0231","","","0.0549","0.0617","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236333","8.16","0.0009","12.194","0.0013","14.9713","0.0016","100.109","0.005","93.56","0.005","93.469","0.005","1459.9","0.3","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","<i>rac</i>-<i>cis</i>-Dicarbonylchlorido{1-[2-(diphenylphosphanyl- κ<i>P</i>)benzyl]-3-(phenyl-κ<i>C</i>^1^)imidazol-2-ylidene- κ<i>C</i>^2^}ruthenium(II) dichloromethane monosolvate","","- C31 H24 Cl3 N2 O2 P Ru -","- C31 H24 Cl3 N2 O2 P Ru -","- C62 H48 Cl6 N4 O4 P2 Ru2 -","2","1","HP2045","Domski, Gregory J.; Pecak, Wiktoria H.; Swenson, Dale C.","<i>rac</i>-<i>cis</i>-Dicarbonylchlorido{1-[2-(diphenylphosphanyl-κ<i>P</i>)benzyl]-3-(phenyl-κ<i>C</i>^1^)imidazol-2-ylidene-κ<i>C</i>^2^}ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","9","m1224","m1225","10.1107/S1600536812036665","","","0.71073","MoKα","","0.0559","0.0356","","","0.0692","0.0768","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236334","8.767","0.002","12.426","0.003","13.159","0.005","90","","108.26","0.03","90","","1361.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ-aqua-diaquabis[μ-2-cyano-2-(oxidoimino)acetato]copper(II)dipotassium]","","- C6 H6 Cu K2 N4 O9 -","- C6 H6 Cu K2 N4 O9 -","- C24 H24 Cu4 K8 N16 O36 -","4","1","HP2047","Golenya, Irina A.; Izotova, Yulia A.; Usenko, Natalia I.; Kalibabchuk, Valentina A.; Kotova, Natalia V.","Poly[μ-aqua-diaquabis[μ-2-cyano-2-(oxidoimino)acetato]copper(II)dipotassium]","Acta Crystallographica Section E","2012","68","10","m1303","m1304","10.1107/S1600536812036641","","","0.71073","MoKα","","0.0261","0.0241","","","0.0614","0.0624","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236335","8.0583","0.0015","8.4824","0.0015","12.934","0.002","93.225","0.002","94.812","0.002","104.64","0.002","849.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[disilver(I)(<i>Ag</i>‒<i>Ag</i>)-bis(μ~3~-quinoline-3- carboxylato)-1:2:1'κ^3^<i>O</i>:<i>O</i>':<i>N</i>;2:1'': 2''κ^3^<i>N</i>:<i>O</i>:<i>O</i>']","","- C20 H12 Ag2 N2 O4 -","- C20 H12 Ag2 N2 O4 -","- C40 H24 Ag4 N4 O8 -","2","1","HY2558","Liu, Chun-Bo; Cong, Yao; Sun, He-Yi","<i>catena</i>-Poly[disilver(I)(<i>Ag</i>‒<i>Ag</i>)-bis(μ~3~-quinoline-3-carboxylato)-1:2:1'κ^3^<i>O</i>:<i>O</i>':<i>N</i>;2:1'':2''κ^3^<i>N</i>:<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2012","68","9","m1177","","10.1107/S1600536812035209","","","0.71073","MoKα","","0.0443","0.0298","","","0.0727","0.0806","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236336","7.7786","0.0016","8.0562","0.0017","9.505","0.002","110.912","0.003","96.862","0.003","95.77","0.003","545.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(μ~3~-5- oxidopyridin-1-ium-3-carboxylato- κ^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^)diholmium(III)] dihydrate]","","- C16 H16 Ho2 N2 O18 -","- C16 H16 Ho2 N2 O18 -","- C16 H16 Ho2 N2 O18 -","1","0.5","HY2567","Mi, Jun-Long; Huang, Jing; Chen, Hong-Ji","Poly[[diaquabis(μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(μ~3~-5-oxidopyridin-1-ium-3-carboxylato-κ^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^)diholmium(III)] dihydrate]","Acta Crystallographica Section E","2012","68","9","m1146","m1147","10.1107/S1600536812032916","","","0.71073","MoKα","","0.0176","0.0158","","","0.037","0.0379","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236337","13.7489","0.0006","13.0185","0.0005","15.4765","0.0007","90","","115.759","0.006","90","","2494.9","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Acetato-κ<i>O</i>){bis[(2,4-dimethyl-1<i>H</i>- pyrazol-1-yl)methyl][(pyridin-2-yl)methyl]amine}cobalt(II) hexafluoridophosphate","","- C20 H27 Co F6 N6 O2 P -","- C20 H27 Co F6 N6 O2 P -","- C80 H108 Co4 F24 N24 O8 P4 -","4","1","HY2569","Yu, Fan","(Acetato-κ<i>O</i>){bis[(2,4-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl][(pyridin-2-yl)methyl]amine}cobalt(II) hexafluoridophosphate","Acta Crystallographica Section E","2012","68","10","m1249","","10.1107/S1600536812035222","","","0.71073","MoKα","","0.0882","0.0508","","","0.1198","0.1292","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236338","7.567","0.003","8.874","0.004","10.867","0.005","92.046","0.004","103.327","0.009","104.957","0.005","682.5","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","Bis(methanol-κ<i>O</i>)bis(oxamide oxime oximato-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(oxamide dioxime) methanol disolvate","","- C12 H38 Cu N16 O12 -","- C12 H38 Cu N16 O12 -","- C12 H38 Cu N16 O12 -","1","0.5","HY2572","Liu, Daying; Zhang, Ruihong; Hu, Hui; Qi, Jing; Yang, Guangming","Bis(methanol-κ<i>O</i>)bis(1,2-diamino-2-hydroxyiminoethanone oximato-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(oxamide dioxime) methanol disolvate","Acta Crystallographica Section E","2012","68","10","m1235","m1236","10.1107/S1600536812036811","","","0.71073","MoKα","","0.0446","0.0331","","","0.0838","0.0856","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236339","22.7473","0.0016","11.4521","0.0019","24.1382","0.0015","90","","116.014","0.007","90","","5651","1.1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis[μ-1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene- κ^2^<i>N</i>:<i>N</i>']trisilver(I) tris(hexafluoridophosphate)","","- C48 H48 Ag3 F18 N8 O8 P3 -","- C48 H48 Ag3 F18 N8 O8 P3 -","- C192 H192 Ag12 F72 N32 O32 P12 -","4","0.5","HY2575","Yeh, Chun-Wei; Ho, Yuh-Wen; Lee, Hsun-Tsing; Wang, Ju-Chun; Suen, Maw-Cherng","Tetrakis[μ-1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']trisilver(I) tris(hexafluoridophosphate)","Acta Crystallographica Section E","2012","68","9","m1170","","10.1107/S1600536812034721","","","0.71073","MoKα","","0.0668","0.0503","","","0.125","0.1366","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236340","7.7606","0.0011","10.3832","0.0017","18.184","0.002","90","","97.46","0.011","90","","1452.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromido(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium","","- C12 H12 Br2 Cd N2 -","- C12 H12 Br2 Cd N2 -","- C48 H48 Br8 Cd4 N8 -","4","1","HY2576","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromido(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium","Acta Crystallographica Section E","2012","68","9","m1143","","10.1107/S1600536812033648","","","0.71073","MoKα","","0.0784","0.0467","","","0.0996","0.1238","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236341","6.7876","0.0007","14.286","0.0014","7.8893","0.0008","90","","113.562","0.002","90","","701.23","0.12","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tetrabromido(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(IV)","","- C10 H9 Br4 N3 Pt -","- C10 H9 Br4 N3 Pt -","- C20 H18 Br8 N6 Pt2 -","2","0.5","HY2577","Ha, Kwang","Tetrabromido(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)platinum(IV)","Acta Crystallographica Section E","2012","68","9","m1141","","10.1107/S160053681203379X","","","0.71073","MoKα","","0.0388","0.0281","","","0.0679","0.0747","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236342","12.0318","0.0006","10.3751","0.0004","15.2626","0.0007","90","","91.981","0.004","90","","1904.11","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Trichlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(methanol- κ<i>O</i>)indium(III) methanol monosolvate","","- C14 H20 Cl3 In N2 O2 -","- C14 H20 Cl3 In N2 O2 -","- C56 H80 Cl12 In4 N8 O8 -","4","1","HY2578","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Trichlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(methanol-κ<i>O</i>)indium(III) methanol monosolvate","Acta Crystallographica Section E","2012","68","9","m1189","m1190","10.1107/S1600536812035490","","","0.71073","MoKα","","0.0475","0.0395","","","0.0987","0.102","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236343","7.1216","0.0018","11.78","0.003","13.536","0.003","90","","90","","90","","1135.6","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaquabis(1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C32 H40 Co4 N16 O24 -","4","0.5","HY2579","Chen, Wen-Sen","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","10","m1246","","10.1107/S1600536812037579","","","0.71073","MoKα","","0.0331","0.0266","","","0.0702","0.0731","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236344","11.391","0.0011","13.0561","0.0013","19.8509","0.0018","90","","103.487","0.001","90","","2870.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate 4,4'-bipyridine hemisolvate monohydrate]","","- C27 H26 N7 O9 Zn -","- C27 H26 N7 O9 Zn -","- C108 H104 N28 O36 Zn4 -","4","1","HY2580","Xu, Shan; Dai, Yong-Cheng; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate 4,4'-bipyridine hemisolvate monohydrate]","Acta Crystallographica Section E","2012","68","9","m1222","m1223","10.1107/S1600536812036318","","","0.71073","MoKα","","0.0864","0.0475","","","0.1075","0.1318","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236345","12.702","0.008","7.178","0.004","25.368","0.015","90","","90","","90","","2313","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]","","- C14 H8 O4 Zn -","- C14 H8 O4 Zn -","- C112 H64 O32 Zn8 -","8","1","HY2581","Tian, Yu-Guang","Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]","Acta Crystallographica Section E","2012","68","10","m1276","","10.1107/S1600536812038901","","","0.71073","MoKα","","0.066","0.0364","","","0.0719","0.0856","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236346","14.1988","0.0004","14.7317","0.0006","16.6016","0.0008","113.286","0.002","107.128","0.003","90.19","0.003","3019.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) bis[bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cobaltate(III)] perchlorate dimethylformamide hemisolvate 1.3-hydrate","","- C59.5 H42.1 Cl Co3 N10.5 O21.8 -","- C59.5 H42.1 Cl Co3 N10.5 O21.8 -","- C119 H84.2 Cl2 Co6 N21 O43.6 -","2","1","HY2582","Golenya, Irina A.; Boyko, Alexander N.; Kotova, Natalia V.; Haukka, Matti; Iskenderov, Turganbay S.","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) bis[bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cobaltate(III)] perchlorate dimethylformamide hemisolvate 1.3-hydrate","Acta Crystallographica Section E","2012","68","10","m1237","m1238","10.1107/S1600536812037208","","","0.71073","MoKα","","0.0927","0.0596","","","0.1605","0.181","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236347","10.3119","0.0002","11.4395","0.0002","12.2432","0.0003","84.756","0.001","77.395","0.001","70.29","0.001","1326.61","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(2-Ethyl-2-oxazoline-κ<i>N</i>)bis(<i>N</i>-ethyl-<i>N</i>- phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium","","- C23 H29 Cd N3 O S4 -","- C23 H29 Cd N3 O S4 -","- C46 H58 Cd2 N6 O2 S8 -","2","1","HY2583","Onwudiwe, Damian C.; Strydom, Christien A.; Hosten, Eric C.","(2-Ethyl-2-oxazoline-κ<i>N</i>)bis(<i>N</i>-ethyl-<i>N</i>-phenyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium","Acta Crystallographica Section E","2012","68","10","m1309","","10.1107/S1600536812038433","","","0.71073","MoKα","","0.027","0.0217","","","0.0512","0.0542","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236348","29.283","0.002","7.7642","0.0007","15.9459","0.0012","90","","104.891","0.006","90","","3503.7","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Trichlorido(dimethyl sulfoxide-κ<i>O</i>)(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')indium(III)","","- C12 H15 Cl3 In N3 O S -","- C12 H15 Cl3 In N3 O S -","- C96 H120 Cl24 In8 N24 O8 S8 -","8","1","HY2584","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Golabi, Elyas","Trichlorido(dimethyl sulfoxide-κ<i>O</i>)(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')indium(III)","Acta Crystallographica Section E","2012","68","10","m1256","","10.1107/S1600536812038147","","","0.71073","MoKα","","0.0737","0.0422","","","0.0737","0.0804","","","","","","0.987","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236349","7.7989","0.0016","26.525","0.005","15.098","0.003","90","","98.26","0.03","90","","3090.9","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-chlorido-bis{chlorido[2,3-dimethyl-<i>N</i>-(pyridin-2- ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']mercury(II)}","","- C28 H28 Cl4 Hg2 N4 -","- C28 H28 Cl4 Hg2 N4 -","- C112 H112 Cl16 Hg8 N16 -","4","0.5","HY2585","Hoseyni, Seyed Jalal; Talei Bavil Olyai, Mohamad Reza; Notash, Behrouz","Di-μ-chlorido-bis{chlorido[2,3-dimethyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']mercury(II)}","Acta Crystallographica Section E","2012","68","10","m1294","","10.1107/S1600536812039050","","","0.71073","MoKα","","0.1011","0.0834","","","0.1929","0.2062","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236350","15.6081","0.0011","10.5938","0.0008","25.976","0.002","90","","96.919","0.001","90","","4263.8","0.5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Iodido[5-methyl-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) methanol monosolvate","","- C45 H42 Cu I N2 O P2 S -","- C45 H42 Cu I N2 O P2 S -","- C180 H168 Cu4 I4 N8 O4 P8 S4 -","4","1","HY2586","Jiang, Yu-Han; Qiu, Qi-Ming; Jiang, Rui-Xia; Huang, Xu; Jin, Qiong-Hua","Iodido[5-methyl-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) methanol monosolvate","Acta Crystallographica Section E","2012","68","10","m1295","","10.1107/S1600536812039165","","","0.71073","MoKα","","0.0666","0.0393","","","0.074","0.0875","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236351","22.272","0.0012","7.1013","0.0004","19.6329","0.0011","90","","108.376","0.001","90","","2946.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ-3,5,9,11-Tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec- 13-ene-4,10-diido-κ^2^<i>N</i>:<i>N</i>')bis[(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')silver(I)] dihydrate","","- C32 H28 Ag2 N6 O6 -","- C32 H28 Ag2 N6 O6 -","- C128 H112 Ag8 N24 O24 -","4","0.5","HY2587","Zhang, Yongmei","(μ-3,5,9,11-Tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10-diido-κ^2^<i>N</i>:<i>N</i>')bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')silver(I)] dihydrate","Acta Crystallographica Section E","2012","68","10","m1275","","10.1107/S1600536812038640","","","0.71073","MoKα","","0.0262","0.0211","","","0.0488","0.0512","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236352","9.6955","0.0011","10.9905","0.0012","14.5739","0.0017","68.711","0.002","72.401","0.002","81.381","0.002","1377.9","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Chloridobis(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')oxidovanadium(IV) chloride ethanol monosolvate monohydrate","","- C26 H32 Cl2 N4 O3 V -","- C26 H32 Cl2 N4 O3 V -","- C52 H64 Cl4 N8 O6 V2 -","2","1","HY2588","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Golabi, Elyas; Gholamzadeh, Mohammad Amin","<i>cis</i>-Chloridobis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')oxidovanadium(IV) chloride ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","10","m1311","m1312","10.1107/S1600536812040251","","","0.71073","MoKα","","0.0741","0.0622","","","0.1362","0.1442","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236353","7.3883","0.001","9.1788","0.0013","9.8054","0.0013","81.312","0.002","82.2","0.002","79.301","0.002","641.92","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua(μ-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')(μ-terephthalato- κ^2^<i>O</i>^1^:<i>O</i>^4^)cobalt(II)] 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide monosolvate]","","- C28 H24 Co N4 O10 -","- C28 H24 Co N4 O10 -","- C28 H24 Co N4 O10 -","1","0.5","HY2589","Ge, Xin; Song, Shu-Yan","Poly[[diaqua(μ-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')(μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^)cobalt(II)] 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide monosolvate]","Acta Crystallographica Section E","2012","68","10","m1307","","10.1107/S1600536812040056","","","0.71073","MoKα","","0.0332","0.0308","","","0.0791","0.0809","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236354","7.4395","0.0006","9.4723","0.0008","17.6439","0.0015","90","","96.131","0.007","90","","1236.24","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C11 H10 Cl2 Co N2 -","- C11 H10 Cl2 Co N2 -","- C44 H40 Cl8 Co4 N8 -","4","1","HY2591","Akbarzadeh Torbati, Niloufar; Rezvani, Ali Reza; Saravani, Hamideh","Dichlorido(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1332","","10.1107/S1600536812041116","","","0.71073","MoKα","","0.0838","0.058","","","0.1201","0.1312","","","","","","1.115","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236355","5.6014","0.0008","26.246","0.004","11.0763","0.0016","90","","99.828","0.002","90","","1604.5","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>trans</i>-Dichloridobis(4-nitroaniline-κ<i>N</i>^1^)palladium(II)","","- C12 H12 Cl2 N4 O4 Pd -","- C12 H12 Cl2 N4 O4 Pd -","- C48 H48 Cl8 N16 O16 Pd4 -","4","1","HY2592","Feng, Tian-Jun","<i>trans</i>-Dichloridobis(4-nitroaniline-κ<i>N</i>^1^)palladium(II)","Acta Crystallographica Section E","2012","68","11","m1351","","10.1107/S1600536812042134","","","0.71073","MoKα","","0.0228","0.021","","","0.0629","0.0772","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236356","12.4813","0.0004","12.5337","0.0004","14.5389","0.0005","83.52","0.001","65.602","0.001","61.757","0.001","1815.02","0.11","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","(Ammine)(carbonyl)[hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato]\ (triphenylphosphine-κ<i>P</i>)ruthenium(II) chloride dichloromethane disolvate","","- C30 H32 B Cl5 N7 O P Ru -","- C30 H32 B Cl5 N7 O P Ru -","- C60 H64 B2 Cl10 N14 O2 P2 Ru2 -","2","1","HY2593","Hu, Ting-Chuan; Ye, Jun-Xlan; He, Sheng-Ting; Chiang, Guan-Ru; Lo, Yih-Hsing","(Ammine)(carbonyl)[hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II) chloride dichloromethane disolvate","Acta Crystallographica Section E","2012","68","11","m1361","m1362","10.1107/S160053681204247X","","","0.71073","MoKα","","0.0536","0.045","","","0.1128","0.1185","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236357","9.2887","0.0006","12.3253","0.0007","12.6596","0.0007","90","","103.738","0.001","90","","1407.88","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethylbis(pyrazine-2-carboxylato-κ^2^N^1^,O)tin(IV)","","- C12 H12 N4 O4 Sn -","- C12 H12 N4 O4 Sn -","- C48 H48 N16 O16 Sn4 -","4","1","HY2594","Vafaee, Marzieh; Najafi, Ezzatollah; M. Amini, Mostafa; Ng, Seik Weng","Dimethylbis(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)tin(IV)","Acta Crystallographica Section E","2012","68","11","m1384","","10.1107/S160053681204295X","","","0.71073","MoKα","","0.0233","0.02","","","0.0491","0.0514","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236358","7.638","0.0005","12.7943","0.0006","17.9545","0.0011","90","","101.128","0.005","90","","1721.58","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) acetonitrile monosolvate","","- C16 H15 Br2 Co N3 -","- C16 H15 Br2 Co N3 -","- C64 H60 Br8 Co4 N12 -","4","1","HY2596","Shirvan, Sadif A.; Aghajeri, Manouchehr; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","11","m1407","","10.1107/S160053681204367X","","","0.71073","MoKα","","0.1072","0.0746","","","0.177","0.1944","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236359","7.4744","0.0005","17.7122","0.0013","21.4993","0.0015","90","","95.075","0.001","90","","2835.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquabis{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato- κ^2^<i>O</i>:<i>N</i>^4'^}zinc] dimethylformamide tetrasolvate]","","- C60 H62 N8 O14 Zn -","- C60 H62 N8 O14 Zn -","- C120 H124 N16 O28 Zn2 -","2","0.5","HY2597","Ge, Xin; Song, Shuyan","Poly[[diaquabis{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-κ^2^<i>O</i>:<i>N</i>^4'^}zinc] dimethylformamide tetrasolvate]","Acta Crystallographica Section E","2012","68","11","m1413","","10.1107/S1600536812043838","","","0.71073","MoKα","","0.0825","0.0525","","","0.1372","0.1575","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236360","7.8839","0.0012","8.2265","0.0014","9.9957","0.0017","114.093","0.002","104.033","0.015","92.201","0.013","567.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Allyl-1-methyl-1<i>H</i>-benzotriazol-3-ium iodide","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C20 H24 I2 N6 -","2","1","IM2367","Buttrus, Nabeel H.; Sabah, Assim A.; Taqa, Amer A.; Englert, Ulli","3-Allyl-1-methyl-1<i>H</i>-benzotriazol-3-ium iodide","Acta Crystallographica Section E","2012","68","9","o2735","","10.1107/S1600536812035611","","","0.71073","MoKα","","0.0399","0.0349","","","0.0641","0.0661","","","","","","0.955","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236361","11.194","0.003","5.899","0.0005","15.034","0.005","90","","130.193","0.018","90","","758.3","0.4","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-1,3,4-oxadiazol-2-amine","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","IM2386","Song, Man-Man; Wu, Kong-Li; Zhu, Lin; Zheng, Juan; Xu, Yan","5-Phenyl-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2012","68","10","o3058","","10.1107/S1600536812040640","","","0.7107","MoKα","","0.1158","0.0556","","","0.1098","0.1369","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236362","5.9816","0.0008","23.8962","0.0019","7.4653","0.0008","90","","111.119","0.007","90","","995.4","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methylamino-3-phenylpropan-1-ol","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","IM2389","Frey, Wolfgang; Ibrahim, Mohammad M.; Ali, Basem F.; Jäger, Volker","3-Methylamino-3-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","10","o2857","","10.1107/S160053681203694X","","","1.54178","CuKα","","0.1266","0.0714","","","0.1448","0.2005","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236363","8.4751","0.0008","9.8055","0.0012","10.613","0.0006","72.837","0.006","83.45","0.006","69.216","0.006","787.81","0.14","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-<i>N</i>-(<i>tert</i>-butyldimethylsilyl)-<i>N</i>-(pyridin-2- ylmethyl)amido]bis[methylcobalt(II)]","","- C26 H48 Co2 N4 Si2 -","- C26 H48 Co2 N4 Si2 -","- C26 H48 Co2 N4 Si2 -","1","0.5","IM2393","Malassa, Astrid; Agthe, Christine; Görls, Helmar; Westerhausen, Matthias","Bis[μ-<i>N</i>-(<i>tert</i>-butyldimethylsilyl)-<i>N</i>-(pyridin-2-ylmethyl)amido]bis[methylcobalt(II)]","Acta Crystallographica Section E","2012","68","9","m1167","m1168","10.1107/S1600536812032321","","","0.71073","MoKα","","0.1821","0.0612","","","0.0973","0.1287","","","","","","0.924","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236364","11.548","0.0005","9.9394","0.0004","14.8911","0.0006","90","","107.611","0.001","90","","1629.1","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Iodo-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 I O3 S -","- C17 H15 I O3 S -","- C68 H60 I4 O12 S4 -","4","1","IM2395","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Iodo-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2893","","10.1107/S1600536812037932","","","0.71073","MoKα","","0.0309","0.0268","","","0.0674","0.0695","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236365","3.811","0.005","13.219","0.005","13.167","0.005","90","","95.602","0.005","90","","660.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-1<i>H</i>-pyrrole-2-carbaldehyde","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","IM2396","Sun, Tao; Xie, Jia-Wei; Zhao, Ren-Ying; Zhu, Ai-Guo; Ge, Yan-Qing","4-Acetyl-1<i>H</i>-pyrrole-2-carbaldehyde","Acta Crystallographica Section E","2012","68","10","o2947","","10.1107/S1600536812039153","","","0.71069","MoKα","","0.0558","0.0423","","","0.1184","0.1283","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236366","11.7479","0.0004","19.3706","0.0006","11.5958","0.0004","90","","118.365","0.001","90","","2321.97","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylidene]bis(3- hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C24 H29 Br O6 -","- C24 H29 Br O6 -","- C96 H116 Br4 O24 -","4","1","IM2397","Sughanya, V.; Sureshbabu, N.","2,2'-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylidene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2012","68","10","o2875","o2876","10.1107/S1600536812037853","","","0.71073","MoKα","","0.0509","0.0346","","","0.0869","0.0949","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236367","8.3285","0.0003","15.1807","0.0005","12.2471","0.0004","90","","90.25","0.002","90","","1548.42","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(3-Fluorophenylsulfinyl)-5-iodo-2,7-dimethyl-1-benzofuran","","- C16 H12 F I O2 S -","- C16 H12 F I O2 S -","- C64 H48 F4 I4 O8 S4 -","4","1","IM2399","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Fluorophenylsulfinyl)-5-iodo-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2894","","10.1107/S1600536812037944","","","0.71073","MoKα","","0.0298","0.0258","","","0.0631","0.0649","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236368","11.1588","0.0006","9.3902","0.0005","9.3833","0.0005","90","","113.092","0.006","90","","904.43","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-MeNH3pyrH).2Br","3-(Ammoniomethyl)pyridinium dibromide","","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","- C24 H40 Br8 N8 -","4","1","IM2401","Ali, Basem F.; Al-Far, Rawhi; Haddad, Salim F.","3-(Ammoniomethyl)pyridinium dibromide","Acta Crystallographica Section E","2012","68","11","o3066","","10.1107/S1600536812040937","","","0.71073","MoKα","","0.0528","0.0358","","","0.0638","0.0701","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236369","38.3223","0.0014","4.8318","0.0002","21.9831","0.0008","90","","117.843","0.002","90","","3599.3","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Dodecyl-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-one","","- C19 H30 N2 O -","- C19 H30 N2 O -","- C152 H240 N16 O8 -","8","1","IM2402","Belaziz, Dounia; Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Dodecyl-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3069","","10.1107/S1600536812041189","","","0.71073","MoKα","","0.0717","0.045","","","0.1215","0.1407","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236370","7.9321","0.0003","17.0477","0.0009","12.2151","0.0006","90","","98.583","0.002","90","","1633.28","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[Bis(dimethylamino)methylene]-1,1-diphenylurea","","- C18 H22 N4 O -","- C18 H22 N4 O -","- C72 H88 N16 O4 -","4","1","IM2403","Tiritiris, Ioannis","3-[Bis(dimethylamino)methylene]-1,1-diphenylurea","Acta Crystallographica Section E","2012","68","11","o3085","","10.1107/S160053681204127X","","","0.71073","MoKα","","0.0487","0.0388","","","0.0984","0.1048","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236371","9.5921","0.0007","10.7253","0.0009","11.6286","0.001","66.87","0.009","68.011","0.009","76.359","0.009","1014.59","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","<i>Trans</i>-bis(3-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(4-<i>tert</i>-\ butylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)","","- C38 H52 Mn N6 S2 -","- C38 H52 Mn N6 S2 -","- C38 H52 Mn N6 S2 -","1","0.5","IM2404","Reinert, Thorben; Jess, Inke; Näther, Christian","<i>Trans</i>-bis(3-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(4-<i>tert</i>-butylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2012","68","11","m1333","","10.1107/S1600536812041128","","","0.71073","MoKα","","0.0675","0.0485","","","0.1194","0.1281","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236372","14.027","0.003","5.816","0.001","12.829","0.003","90","","91.409","0.008","90","","1046.3","0.4","100","0.5","100","0.5","101.3","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-Hydroxy-5-methoxyphenyl)-3-methylbut-2-en-1-one","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","IM2405","Alexander, Catherine Thomas; Vargas, David; Fronczek, Frank R.; Watkins, Steven F.","1-(2-Hydroxy-5-methoxyphenyl)-3-methylbut-2-en-1-one","Acta Crystallographica Section E","2012","68","11","o3126","","10.1107/S1600536812042158","","","0.71073","MoKα","","","0.0428","","","","0.1267","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236373","14.813","0.0005","9.5617","0.0004","8.6697","0.0003","90","","103.071","0.001","90","","1196.14","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-hydroxyethanaminium 2-methyl-5-nitrobenzenesulfonate","","- C9 H14 N2 O6 S -","- C9 H14 N2 O6 S -","- C36 H56 N8 O24 S4 -","4","1","IS5129","Hu, Peng Fei; Zheng, Ying; Wang, Wen Xi","2-Hydroxyethanaminium 2-methyl-5-nitrobenzenesulfonate","Acta Crystallographica Section E","2012","68","9","o2806","","10.1107/S160053681203382X","","","0.71073","MoKα","","0.0377","0.0364","","","0.0937","0.0947","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236374","12.1801","0.0006","9.2529","0.0004","17.6769","0.0008","90","","101.979","0.001","90","","1948.83","0.16","100","1","100","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","<i>N</i>-[(4-Chlorophenyl)sulfonyl]acetamide","","- C8 H8 Cl N O3 S -","- C8 H8 Cl N O3 S -","- C64 H64 Cl8 N8 O24 S8 -","8","2","IS5173","Fun, Hoong-Kun; Chia, Tze Shyang; Jyothi, K.; Hegde, Poornima; D'Souza, Pramila Rita","<i>N</i>-[(4-Chlorophenyl)sulfonyl]acetamide","Acta Crystallographica Section E","2012","68","9","o2626","","10.1107/S1600536812033764","","","0.71073","MoKα","","0.0415","0.028","","","0.0797","0.09","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236375","20.5345","0.0005","5.2689","0.0001","16.1929","0.0005","90","","104.443","0.002","90","","1696.61","0.08","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Bromophenyl)-3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C21 H16 Br F N2 -","- C21 H16 Br F N2 -","- C84 H64 Br4 F4 N8 -","4","1","IS5174","Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","5-(4-Bromophenyl)-3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2012","68","9","o2680","","10.1107/S160053681203454X","","","0.71073","MoKα","","0.0774","0.0514","","","0.1034","0.1134","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236376","10.531","0.0007","11.1477","0.0007","17.2187","0.0009","90","","124.562","0.003","90","","1664.66","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-Ethenylphenyl)diphenylphosphine selenide","","- C20 H17 P Se -","- C20 H17 P Se -","- C80 H68 P4 Se4 -","4","1","IS5175","Phasha, Zanele H.; Makhoba, Sizwe; Muller, Alfred","(4-Ethenylphenyl)diphenylphosphine selenide","Acta Crystallographica Section E","2012","68","9","o2690","","10.1107/S1600536812034289","","","0.71073","MoKα","","0.0257","0.0235","","","","0.0625","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236377","19.5893","0.0002","8.8118","0.0001","23.5034","0.0002","90","","114.886","0.001","90","","3680.37","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-<i>tert</i>-Butyl-<i>N</i>-[(2,6-dimethylphenyl)carbamothioyl]benzamide","","- C20 H24 N2 O S -","- C20 H24 N2 O S -","- C160 H192 N16 O8 S8 -","8","2","IS5176","Yusof, M. Sukeri M.; Arshad, Suhana; Razak, Ibrahim Abdul; Rahman, Azhar Abdul","4-<i>tert</i>-Butyl-<i>N</i>-[(2,6-dimethylphenyl)carbamothioyl]benzamide","Acta Crystallographica Section E","2012","68","9","o2670","","10.1107/S1600536812034174","","","0.71073","MoKα","","0.0727","0.0507","","","0.11","0.1196","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236378","13.0973","0.0006","8.6104","0.0004","24.5948","0.0012","90","","90","","90","","2773.6","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C136 H120 F8 N16 O8 -","8","1","IS5177","Fun, Hoong-Kun; Ooi, Chin Wei; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","9","o2634","","10.1107/S1600536812033971","","","0.71073","MoKα","","0.0478","0.0392","","","0.1048","0.1125","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236379","11.6817","0.0005","4.708","0.0002","25.2056","0.0015","90","","90","","90","","1386.24","0.12","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichloridobis(4-fluoroaniline-κ<i>N</i>)zinc","","- C12 H12 Cl2 F2 N2 Zn -","- C12 H12 Cl2 F2 N2 Zn -","- C48 H48 Cl8 F8 N8 Zn4 -","4","1","IS5178","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","Dichloridobis(4-fluoroaniline-κ<i>N</i>)zinc","Acta Crystallographica Section E","2012","68","9","m1152","","10.1107/S1600536812033922","","","0.71073","MoKα","","0.023","0.0203","","","0.0427","0.0433","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236380","7.443","0.0002","10.3298","0.0002","16.3817","0.0004","91.265","0.001","100.794","0.001","102.281","0.001","1206.39","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-methoxybenzenesulfonate monohydrate","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C50 H64 N4 O10 S2 -","2","1","IS5179","Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Anantapong, Teerasak; Fun, Hoong-Kun","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-methoxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2012","68","9","o2728","o2729","10.1107/S1600536812035258","","","0.71073","MoKα","","0.0827","0.0491","","","0.1259","0.1445","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236381","7.3309","0.0002","38.3569","0.0008","16.8027","0.0004","90","","115.158","0.001","90","","4276.57","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(3-nitrophenyl)ethylidene]hydrazine","","- C14 H11 N5 O6 -","- C14 H11 N5 O6 -","- C168 H132 N60 O72 -","12","3","IS5180","Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat; Boonnak, Nawong","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(3-nitrophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","9","o2684","o2685","10.1107/S1600536812034812","","","0.71073","MoKα","","0.1289","0.0769","","","0.1345","0.1588","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236382","5.9845","0.0006","38.187","0.004","8.5412","0.0007","90","","123.372","0.005","90","","1630.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-[4-(Benzyloxy)phenyl]-1-(pyridin-3-yl)prop-2-en-1-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","IS5181","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-[4-(Benzyloxy)phenyl]-1-(pyridin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","9","o2724","","10.1107/S1600536812034897","","","0.71073","MoKα","","0.0786","0.0495","","","0.124","0.141","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236383","31.3965","0.0019","4.8657","0.0002","19.0124","0.0011","90","","107.772","0.004","90","","2765.8","0.3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-[(3-Bromophenyl)iminomethyl]naphthalen-2-ol","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C136 H96 Br8 N8 O8 -","8","1","IS5182","Akbal, Tufan; Ağar Alaman, Ayşen; Gümüş, Sümeyye; Erdönmez, Ahmet","(<i>E</i>)-1-[(3-Bromophenyl)iminomethyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","9","o2779","","10.1107/S1600536812034824","","","0.71073","MoKα","","0.0675","0.0468","","","0.1073","0.1174","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236384","10.0311","0.0003","17.3096","0.0006","13.9223","0.0004","90","","91.829","0.003","90","","2416.16","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)-4-chlorobenzenesulfonamide","","- C21 H20 Br Cl N4 O4 S2 -","- C21 H20 Br Cl N4 O4 S2 -","- C84 H80 Br4 Cl4 N16 O16 S8 -","4","1","IS5183","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","<i>N</i>-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-chlorobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2800","","10.1107/S1600536812036689","","","0.71073","MoKα","","0.0713","0.0451","","","0.1015","0.1167","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236385","16.561","0.001","8.1611","0.0006","21.476","0.002","90","","90.056","0.007","90","","2902.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3,5-Dimethylphenyl)-2-nitrobenzenesulfonamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C112 H112 N16 O32 S8 -","8","2","IS5184","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3,5-Dimethylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2823","","10.1107/S1600536812036926","","","0.71073","MoKα","","0.0796","0.0465","","","0.1082","0.1227","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236386","16.7798","0.0004","6.84599","0.00014","12.6126","0.0003","90","","90.723","0.002","90","","1448.75","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Piperidin-1-yl)-9,10-anthraquinone","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","IS5185","Wnuk, Elżbieta; Niedziałkowski, Paweł; Trzybiński, Damian; Ossowski, Tadeusz","1-(Piperidin-1-yl)-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","10","o2879","","10.1107/S1600536812037713","","","0.71073","MoKα","","0.0457","0.0387","","","0.0997","0.106","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236387","8.306","0.004","10.07","0.004","12.234","0.005","88.78","0.04","89.12","0.04","82.75","0.05","1014.8","0.8","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","5-[(4-Fluoroanilino)methyl]-6-methyl-<i>N</i>-(4-methylphenyl)-2-phenylpyrimidin-4-amine","","- C25 H23 F N4 -","- C25 H23 F N4 -","- C50 H46 F2 N8 -","2","1","IS5187","Cieplik, Jerzy; Stolarczyk, Marcin; Bryndal, Iwona; Lis, Tadeusz","5-[(4-Fluoroanilino)methyl]-6-methyl-<i>N</i>-(4-methylphenyl)-2-phenylpyrimidin-4-amine","Acta Crystallographica Section E","2012","68","10","o2922","","10.1107/S160053681203783X","","","0.71073","MoKα","","0.1002","0.0487","","","0.0887","0.0932","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236388","9.7206","0.0012","4.9885","0.0006","28.725","0.004","90","","95.628","0.002","90","","1386.2","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxy-<i>N</i>-(4-methoxy-2-nitrophenyl)benzamide","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","IS5189","Arshad, Muhammad; Yousuf, Sammer; Saeed, Sumayya; Basha, Fatima Z.","4-Methoxy-<i>N</i>-(4-methoxy-2-nitrophenyl)benzamide","Acta Crystallographica Section E","2012","68","10","o3028","","10.1107/S1600536812037701","","","0.71073","MoKα","","0.1014","0.0636","","","0.1372","0.1547","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236389","15.4316","0.0017","3.8261","0.0004","21.586","0.002","90","","102.114","0.002","90","","1246.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~3~-hydroxy[μ~4~-5-(4-carboxyphenyl)pyridine-2-carboxylato- κ^5^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4'^]dicadmium]","","- C13 H9 Cd2 N O6 -","- C13 H9 Cd2 N O6 -","- C52 H36 Cd8 N4 O24 -","4","1","IS5190","Meng, Fan-Jin; Jia, Heng-Qing; Hu, Ning-Hai; Zhou, Hua","Poly[di-μ~3~-hydroxy[μ~4~-5-(4-carboxyphenyl)pyridine-2-carboxylato-κ^5^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4'^]dicadmium]","Acta Crystallographica Section E","2012","68","11","m1364","","10.1107/S1600536812042444","","","0.71073","MoKα","","0.045","0.0367","","","0.0826","0.0866","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236390","7.434","0.0002","10.0355","0.0003","14.6803","0.0004","90","","114.191","0.001","90","","999.03","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C40 H44 N20 O4 -","4","1","IS5191","Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul; Arshad, Suhana; Jagatheesan, Rathinavel; Santhanaraj, K. Joseph","6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine","Acta Crystallographica Section E","2012","68","10","o2910","","10.1107/S1600536812038019","","","0.71073","MoKα","","0.0473","0.0407","","","0.1152","0.1212","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236391","15.9952","0.0009","7.3104","0.0005","12.0351","0.0007","90","","96.912","0.001","90","","1397.05","0.15","100","1","100","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Adipic acid‒2,4-diamino-6-(4-methoxyphenyl)-1,3,5-triazine (1/2)","","- C26 H32 N10 O6 -","- C26 H32 N10 O6 -","- C52 H64 N20 O12 -","2","0.5","IS5192","Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul; Arshad, Suhana; Jagatheesan, Rathinavel; Santhanaraj, Kulandaisamy Joseph","Adipic acid‒2,4-diamino-6-(4-methoxyphenyl)-1,3,5-triazine (1/2)","Acta Crystallographica Section E","2012","68","10","o2938","o2939","10.1107/S1600536812038743","","","0.71073","MoKα","","0.0475","0.0393","","","0.1175","0.1255","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236392","6.05424","0.00018","29.3096","0.0009","7.2064","0.0002","90","","92.668","0.003","90","","1277.37","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(Biphenyl-4-yl)-1,3-thiazol-4-yl]methanol","","- C16 H13 N O S -","- C16 H13 N O S -","- C64 H52 N4 O4 S4 -","4","1","IS5193","Kaur, Manpreet; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.","[2-(Biphenyl-4-yl)-1,3-thiazol-4-yl]methanol","Acta Crystallographica Section E","2012","68","10","o2950","","10.1107/S1600536812039062","","","1.54184","CuKα","","0.0455","0.0414","","","0.1094","0.114","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236393","12.2822","0.0008","7.1605","0.0004","11.1226","0.0007","90","","92.435","0.001","90","","977.31","0.1","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-2-oxoethanaminium chloride","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","IS5194","Fun, Hoong-Kun; Loh, Wan-Sin; Viveka, S.; Dinesha; Nagaraja, G. K.","2-(4-Methoxyphenyl)-2-oxoethanaminium chloride","Acta Crystallographica Section E","2012","68","10","o2987","","10.1107/S1600536812039645","","","0.71073","MoKα","","0.0373","0.0345","","","0.097","0.0993","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236394","4.3366","0.0001","12.9773","0.0003","13.2138","0.0003","84.919","0.002","87.353","0.002","84.611","0.001","736.9","0.03","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-2-(2-methyl-4-nitro-1<i>H</i>- imidazol-1-yl)acetohydrazide","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C28 H30 N10 O8 -","2","1","IS5195","Fun, Hoong-Kun; Chia, Tze Shyang; Frank, Priya V.; Poojary, Mahesha; Kalluraya, Balakrishna","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","10","o2988","o2989","10.1107/S1600536812039621","","","0.71073","MoKα","","0.076","0.0528","","","0.1186","0.1313","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236395","7.306","0.003","14.7425","0.0004","10.8281","0.0019","90","","96.91","0.04","90","","1157.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>N</i>\ρightarrow<i>B</i>)-4-Methyl-3-pyridyl[<i>N</i>- methyliminodiacetate-<i>O</i>,<i>O'</i>,<i>N</i>]borane","","- C11 H13 B N2 O4 -","- C11 H13 B N2 O4 -","- C44 H52 B4 N8 O16 -","4","1","IS5196","Dabrowski, Marek; Durka, Krzysztof; Serwatowski, Janusz","(<i>N</i>\ρightarrow <i>B</i>)-4-Methyl-3-pyridyl[<i>N</i>-methyliminodiacetate-<i>O</i>,<i>O</i>',<i>N</i>]borane","Acta Crystallographica Section E","2012","68","11","o3070","","10.1107/S1600536812040974","","","0.7107","MoKα","","0.0662","0.0516","","","0.1375","0.1474","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236396","11.7093","0.0006","10.4594","0.0006","11.459","0.0006","90","","119.203","0.001","90","","1225.03","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 6-oxo-1,6-dihydropyridine-2-carboxylate","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","IS5197","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 6-oxo-1,6-dihydropyridine-2-carboxylate","Acta Crystallographica Section E","2012","68","11","o3151","o3152","10.1107/S1600536812041359","","","0.71073","MoKα","","0.0467","0.0388","","","0.1088","0.1161","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236397","9.615","0.0002","7.1362","0.0001","13.9716","0.0002","90","","100.118","0.0018","90","","943.75","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3-<i>O</i>-α-<i>L</i>-fucopyranosyl β-<i>D</i>-glucopyranoside tetrahydrate","","- C13 H32 O14 -","- C13 H32 O14 -","- C26 H64 O28 -","2","1","IS5198","Eriksson, Lars; Widmalm, Göran","Methyl 3-<i>O</i>-α-<small>L</small>-fucopyranosyl β-<small>D</small>-glucopyranoside tetrahydrate","Acta Crystallographica Section E","2012","68","11","o3180","o3181","10.1107/S1600536812041992","","","0.71073","MoKα","","0.0299","0.0283","","","0.0724","0.0729","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236398","6.216","0.005","30.674","0.004","7.405","0.005","90","","97.048","0.005","90","","1401.2","1.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitroanilinium <i>p</i>-toluenesulfonate","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C52 H56 N8 O20 S4 -","4","1","IS5199","Sivakumar, P. K.; Krishnakumar, M.; Kanagadurai, R.; Chakkaravarthi, G.; Mohankumar, R.","4-Nitroanilinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2012","68","10","o3059","","10.1107/S1600536812040664","","","0.71073","MoKα","","0.0561","0.0528","","","0.1324","0.1342","","","","","","1.215","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236399","10.2583","0.0004","17.4727","0.0006","14.4375","0.0007","90","","97.199","0.004","90","","2567.38","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[2-(5-Bromo-2-morpholin-4-ylpyrimidin-4-ylsulfanyl)-4-methoxyphenyl]- 2,4,6-trimethylbenzenesulfonamide","","- C24 H27 Br N4 O4 S2 -","- C24 H27 Br N4 O4 S2 -","- C96 H108 Br4 N16 O16 S8 -","4","1","IS5200","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","<i>N</i>-[2-(5-Bromo-2-morpholin-4-ylpyrimidin-4-ylsulfanyl)-4-methoxyphenyl]-2,4,6-trimethylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","11","o3061","","10.1107/S1600536812040792","","","0.71073","MoKα","","0.0817","0.046","","","0.0889","0.1051","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236400","9.0318","0.0011","11.659","0.0014","12.1166","0.0015","90","","101.521","0.002","90","","1250.2","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 3-chlorobenzoate","","- C13 H13 Cl N2 O2 -","- C13 H13 Cl N2 O2 -","- C52 H52 Cl4 N8 O8 -","4","1","IS5201","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 3-chlorobenzoate","Acta Crystallographica Section E","2012","68","11","o3195","","10.1107/S1600536812043231","","","0.71073","MoKα","","0.0428","0.038","","","0.1103","0.1145","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236401","9.2394","0.0008","13.92","0.0011","12.1514","0.0008","90","","129.85","0.004","90","","1199.82","0.18","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 2-aminobenzoate","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","IS5202","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 2-aminobenzoate","Acta Crystallographica Section E","2012","68","11","o3196","o3197","10.1107/S1600536812043243","","","0.71073","MoKα","","0.0432","0.0366","","","0.0937","0.1007","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236402","5.4539","0.0001","14.0521","0.0003","16.5163","0.0004","90","","90","","90","","1265.79","0.05","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Tyrosine isopropyl ester","Isopropyl (2<i>S</i>)-2-amino-3-(4-hydroxyphenyl)propanoate","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","IS5203","Nuñez-Dallos, Nelson; Wurst, Klaus; Quevedo, Rodolfo","<small>L</small>-Tyrosine isopropyl ester","Acta Crystallographica Section E","2012","68","11","o3173","","10.1107/S1600536812042377","","","0.71073","MoKα","","0.0377","0.0364","","","0.0979","0.0991","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236403","7.953","0.0014","33.577","0.006","8.7247","0.0015","90","","100.809","0.002","90","","2288.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Benzyl-2-methyl-1,3-bis(pentafluorophenyl)-1,3,6,2-triazaalumocane","[<i>N</i>-Benzyl-<i>N</i>,<i>N</i>-bis(pentafluorophenylanide)ethyl]amine -methylaluminium(III)","","- C24 H18 Al F10 N3 -","- C24 H18 Al F10 N3 -","- C96 H72 Al4 F40 N12 -","4","1","IS5205","Kireenko, Marina M.; Zaitsev, Kirill V.; Churakov, Andrei V.; Zaitseva, Galina S.; Karlov, Sergey S.","6-Benzyl-2-methyl-1,3-bis(pentafluorophenyl)-1,3,6,2-triazaalumocane","Acta Crystallographica Section E","2012","68","11","m1385","m1386","10.1107/S1600536812042560","","","0.71073","MoKα","","0.0427","0.0362","","","0.0909","0.0944","","","","","","1.023","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236404","8.9311","0.0007","6.0283","0.0004","13.8694","0.001","90","","99.699","0.002","90","","736.05","0.09","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(1<i>S</i>,5<i>R</i>,6<i>R</i>)-6-[(<i>S</i>)-1-Hydroxy-2-(methoxymethyloxy)ethyl]-1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one","","- C11 H14 Cl3 N O6 -","- C11 H14 Cl3 N O6 -","- C22 H28 Cl6 N2 O12 -","2","1","IS5207","Oishi, Takeshi; Oishi, Hiroki; Tsuzaki, Syun; Sato, Takaaki; Chida, Noritaka","(+)-(1<i>S</i>,5<i>R</i>,6<i>R</i>)-6-[(<i>S</i>)-1-Hydroxy-2-(methoxymethyloxy)ethyl]-1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one","Acta Crystallographica Section E","2012","68","11","o3185","","10.1107/S1600536812042912","","","0.71073","MoKα","","0.0278","0.0266","","","0.0671","0.0687","","","","","","1.341","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236405","13.2884","0.0013","12.7364","0.001","11.4656","0.0009","90","","115.324","0.003","90","","1754","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,5-Bis(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazole","3,5-Bis(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazole","","- C21 H15 F2 N3 O2 -","- C21 H15 F2 N3 O2 -","- C84 H60 F8 N12 O8 -","4","1","IS5210","Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","3,5-Bis(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2012","68","11","o3216","o3217","10.1107/S160053681204370X","","","0.71073","MoKα","","0.0911","0.0674","","","0.1984","0.2212","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236406","4.3102","0.001","6.1076","0.0013","14.51","0.003","91.719","0.003","93.29","0.003","101.428","0.003","373.45","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Cyanoanilinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C14 H14 Br2 N4 -","2","1","JJ2147","Vumbaco, David J.; Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyanoanilinium bromide","Acta Crystallographica Section E","2012","68","10","o2884","","10.1107/S1600536812037014","","","0.71073","MoKα","","0.0214","0.0203","","","0.0505","0.051","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236407","9.1085","0.0002","16.2431","0.0004","9.4192","0.0002","90","","92.096","0.001","90","","1392.64","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","FK228","(1<i>S</i>,4<i>S</i>,7<i>Z</i>,10<i>S</i>,16<i>E</i>,21<i>R</i>)-7- ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23- tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone","","- C24 H36 N4 O6 S2 -","- C24 H36 N4 O6 S2 -","- C48 H72 N8 O12 S4 -","2","1","JJ2148","Liu, Xiang-Yang; Wang, Cheng; Cheng, Yi-Qiang","FK228 from <i>Burkholderia thailandensis</i> MSMB43","Acta Crystallographica Section E","2012","68","9","o2757","o2758","10.1107/S160053681203601X","","","1.54178","CuKα","","0.0252","0.0248","","","0.0645","0.0648","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236408","5.291","0.002","17.809","0.005","26.622","0.009","90","","90","","90","","2508.5","1.5","123","0.5","123","0.5","101.3","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-2-(2,3-dihydro-1<i>H</i>-inden-1-ylidene)-2,3-dihydro-1<i>H</i>- inden-1-one","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","2","JJ2149","Li, Hairong; Fronczek, Frank R.; Watkins, Steven F.","Orthorhombic polymorph of (2<i>E</i>)-2-(2,3-dihydro-1<i>H</i>-inden-1-ylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","9","o2756","","10.1107/S1600536812035994","","","0.71073","MoKα","","","0.0569","","","","0.1104","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236409","7.796","0.002","7.808","0.002","18.48","0.005","90","","95.165","0.014","90","","1120.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-5-(4-carboxylatophenyl)pyridinium monohydrate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","JJ2150","Wei, Xiao-Hong; Yan, Hong; Lin, Wei-Gong","2-Amino-5-(4-carboxylatophenyl)pyridinium monohydrate","Acta Crystallographica Section E","2012","68","9","o2749","","10.1107/S1600536812035854","","","0.71073","MoKα","","0.1336","0.0795","","","0.1735","0.2081","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236410","7.1956","0.0018","13.091","0.009","11.987","0.01","90","","101.44","0.03","90","","1106.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(6-Aminopyridinium-3-yl)benzoate monohydrate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","JJ2152","Yuan, Zong-Yong; Zhao, Jun; Peng, Zhao","3-(6-Aminopyridinium-3-yl)benzoate monohydrate","Acta Crystallographica Section E","2012","68","11","o3119","","10.1107/S1600536812041943","","","0.71073","MoKα","","0.1211","0.0838","","","0.1907","0.2147","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236411","7.7948","0.0013","12.649","0.002","13.021","0.002","91.364","0.003","98.765","0.002","107.878","0.003","1204.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{(1<i>Z</i>)-1-[(6-Chloropyridin-3-ylmethyl)(ethyl)amino]-3-(3- chlorophenyl)-2-nitro-5-oxohex-1-enyl}-<i>N</i>-methylacetamide","","- C23 H26 Cl2 N4 O4 -","- C23 H26 Cl2 N4 O4 -","- C46 H52 Cl4 N8 O8 -","2","1","JJ2153","Sun, Chuan-Wen; Wu, Ying; Wang, Jing","<i>N</i>-{(1<i>Z</i>)-1-[(6-Chloropyridin-3-ylmethyl)(ethyl)amino]-3-(3-chlorophenyl)-2-nitro-5-oxohex-1-enyl}-<i>N</i>-methylacetamide","Acta Crystallographica Section E","2012","68","11","o3229","","10.1107/S1600536812043358","","","0.71073","MoKα","","0.0686","0.0638","","","0.1447","0.1475","","","","","","1.172","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236412","23.6627","0.0017","7.1449","0.0005","12.2265","0.0009","90","","117.47","0.001","90","","1834","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(2<i>S</i>,4<i>S</i>)-3-Benzoyl-4-benzyl-2-(<i>tert</i>-butyl)-1,3- oxazolidin-5-one","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","KJ2203","Dungan, Victoria J.; Mueller-Bunz, Helge; Rutledge, Peter J.","(2<i>S</i>,4<i>S</i>)-3-Benzoyl-4-benzyl-2-<i>tert</i>-butyl-1,3-oxazolidin-5-one","Acta Crystallographica Section E","2012","68","9","o2747","","10.1107/S1600536812035556","","","0.71073","MoKα","","0.0347","0.034","","","0.0871","0.0878","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236413","7.8996","0.0004","9.007","0.0004","13.5057","0.0007","104.176","0.003","90.977","0.003","113.466","0.003","847.52","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C16 H13 Br F N3 O2 S -","- C16 H13 Br F N3 O2 S -","- C32 H26 Br2 F2 N6 O4 S2 -","2","1","KJ2209","Shafiq, Muhammad; Khan, Islam Ullah; Harrison, William T. A.; Hussain, Ajaz; Ashraf, Hina","6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","10","o2851","","10.1107/S1600536812037403","","","0.71073","MoKα","","0.1039","0.0427","","","0.0955","0.1182","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236414","16.2689","0.0019","3.9357","0.0004","19.951","0.0019","90","","109.499","0.003","90","","1204.2","0.2","223","","223","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6-dimethoxy-9,10-anthraquinone","2,6-dimethoxyanthracene-9,10-dione","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","KJ2210","Ohta, Akira; Hattori, Kazuki; Kobayashi, Takashi; Naito, Hiroyoshi; Kawase, Takeshi; Kitamura, Chitoshi","2,6-Dimethoxy-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","10","o2843","","10.1107/S1600536812037361","","","0.71073","MoKα","","0.0983","0.057","","","0.139","0.1783","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236415","7.5271","0.0009","12.4095","0.0015","12.58","0.0014","90","","90","","90","","1175.1","0.2","103","","103","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(3-Chloro-2-methylphenyl)iminomethyl]phenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","KJ2211","Manjunath, B. C.; Abdoh, M. M. M; Mallesha, L.; Mohana, K. N.; Lokanath, N. K.","4-[(3-Chloro-2-methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","11","o3191","","10.1107/S1600536812043140","","","0.71073","MoKα","","0.052","0.0465","","","0.1185","0.1231","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236416","7.649","0.004","13.591","0.008","14.399","0.008","90","","101.371","0.007","90","","1467.5","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(8-Methoxycarbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren- 3-yl)amino]-3,5-dinitrobenzoic acid ethyl acetate monosolvate","","- C29 H35 N3 O10 -","- C29 H35 N3 O10 -","- C58 H70 N6 O20 -","2","1","KP2429","Tong, Bihai; Zhang, Ye","2-[(8-Methoxycarbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yl)amino]-3,5-dinitrobenzoic acid ethyl acetate monosolvate","Acta Crystallographica Section E","2012","68","9","o2674","","10.1107/S1600536812032278","","","0.71073","MoKα","","0.0541","0.0413","","","0.0995","0.1074","","","","","","1.026","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236417","7.06","0.002","9.412","0.003","23.321","0.006","90","","90","","90","","1549.7","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(3,5-dinitrobenzamido)-3-methylbutanoate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","1","KP2434","Li, Xiaokun; Zhao, Yuqing","Methyl 2-(3,5-dinitrobenzamido)-3-methylbutanoate","Acta Crystallographica Section E","2012","68","11","o3098","","10.1107/S1600536812040895","","","0.71073","MoKα","","0.0539","0.0446","","","0.1226","0.1312","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236418","20.567","0.002","12.2647","0.0014","8.4287","0.0007","90","","90","","90","","2126.1","0.4","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Bis(5-methoxysalicylidene)-2,2-dimethyl-1,3-propane]copper(II) hydrate","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","","- C21 H26 Cu N2 O5 -","- C21 H26 Cu N2 O5 -","- C84 H104 Cu4 N8 O20 -","4","0.5","KP2436","Ganji, Fatemeh; Kargar, Hadi; Kia, Reza; Mirkhani, Valiollah; Tahir, Muhammad Nawaz","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","Acta Crystallographica Section E","2012","68","10","m1255","","10.1107/S1600536812038135","","","0.71073","MoKα","","0.1608","0.0509","","","0.1047","0.1399","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236419","6.7014","0.0013","11.755","0.002","12.251","0.003","90","","98.38","0.03","90","","954.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[hexaaqua(μ~4~-pyrimidine-4,6-dicarboxylato)tetralithium]","","- C6 H8 Li2 N2 O7 -","- C6 H8 Li2 N2 O7 -","- C24 H32 Li8 N8 O28 -","4","1","KP2437","Starosta, Wojciech; Leciejewicz, Janusz","Poly[hexaaquabis(μ~4~-pyrimidine-4,6-dicarboxylato)tetralithium]","Acta Crystallographica Section E","2012","68","10","m1270","m1271","10.1107/S1600536812038755","","","0.71073","MoKα","","0.0594","0.0372","","","0.1121","0.1263","","","","","","0.946","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236420","8.8092","0.0004","9.4066","0.0004","18.2661","0.0007","90","","90","","90","","1513.61","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenyl(pyridin-2-yl)phosphane selenide","","- C17 H14 N P Se -","- C17 H14 N P Se -","- C68 H56 N4 P4 Se4 -","4","1","KP2438","Davis, Wade L.; Muller, Alfred","Diphenyl(pyridin-2-yl)phosphane selenide","Acta Crystallographica Section E","2012","68","11","o3073","","10.1107/S160053681204007X","","","1.54178","CuKα","","0.0214","0.021","","","0.0524","0.0527","","","","","","0.873","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236421","9.7652","0.0005","13.6368","0.0006","10.3537","0.0005","90","","114.217","0.006","90","","1257.43","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diphenyl (methylamido)phosphate","","- C13 H14 N O3 P -","- C13 H14 N O3 P -","- C52 H56 N4 O12 P4 -","4","1","LD2070","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Bartoš, Peter","Diphenyl (methylamido)phosphate","Acta Crystallographica Section E","2012","68","10","o2934","","10.1107/S160053681203869X","","","0.71073","MoKα","","0.0349","0.0276","","","0.0773","0.0791","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236422","17.837","0.0005","13.9173","0.0004","19.0561","0.0006","90","","99.222","0.001","90","","4669.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>meso</i>-(1<i>S</i>*,21<i>R</i>*)-25-Methyl-8,11,14-trioxa-22,24,25- triazatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18- hexaene-23-thione chloroform monosolvate","","- C21 H24 Cl3 N3 O3 S -","- C21 H24 Cl3 N3 O3 S -","- C168 H192 Cl24 N24 O24 S8 -","8","2","LD2071","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Kurilkin, Vladimir V.; Khrustalev, Victor N.","<i>meso</i>-(1<i>S</i>*,21<i>R</i>*)-25-Methyl-8,11,14-trioxa-22,24,25-triazatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaene-23-thione chloroform monosolvate","Acta Crystallographica Section E","2012","68","10","o2848","o2849","10.1107/S1600536812037051","","","0.71073","MoKα","","0.0695","0.0509","","","0.1354","0.1453","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236423","9.9493","0.0005","14.7107","0.0008","26.6871","0.0017","90","","90","","90","","3906","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl] benzenesulfonamide","","- C20 H17 F2 N O4 S2 -","- C20 H17 F2 N O4 S2 -","- C160 H136 F16 N8 O32 S16 -","8","1","LD2072","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","<i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl]benzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2973","","10.1107/S1600536812039402","","","0.71073","MoKα","","0.0813","0.0484","","","0.1152","0.1334","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236424","7.6126","0.0002","8.2124","0.0002","23.9893","0.0007","90","","94.448","0.001","90","","1495.24","0.07","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4,6-Trinitrophenyl 4-methylbenzoate","2,4,6-Trinitrophenyl 4-methylbenzoate","","- C14 H9 N3 O8 -","- C14 H9 N3 O8 -","- C56 H36 N12 O32 -","4","1","LD2074","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Ellena, Javier; Tenorio, Juan C.; Corrêa, Rodrigo S.","2,4,6-Trinitrophenyl 4-methylbenzoate","Acta Crystallographica Section E","2012","68","11","o3107","","10.1107/S1600536812041773","","","0.71073","MoKα","","0.061","0.0432","","","0.1121","0.1233","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236425","9.4674","0.0006","12.2882","0.0009","16.0569","0.0012","108.426","0.007","97.357","0.006","100.245","0.006","1709.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Diethyl-2-(4-methylbenzenesulfonamido)benzamide","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","2","LD2075","Altamura, Maria; Fedi, Valentina; Nannicini, Rossano; Paoli, Paola; Rossi, Patrizia","<i>N</i>,<i>N</i>-Diethyl-2-(4-methylbenzenesulfonamido)benzamide","Acta Crystallographica Section E","2012","68","11","o3144","o3145","10.1107/S160053681204264X","","","0.71073","MoKα","","0.0677","0.0447","","","0.1079","0.1176","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236426","11.7419","0.0002","12.8226","0.0002","12.8474","0.0002","66.576","0.001","82.703","0.001","67.769","0.001","1642.36","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Fluorophenyl)-5-iodo-3-isopropylsulfonyl-1-benzofuran","","- C17 H14 F I O3 S -","- C17 H14 F I O3 S -","- C68 H56 F4 I4 O12 S4 -","4","2","LD2079","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(4-Fluorophenyl)-5-iodo-3-isopropylsulfonyl-1-benzofuran","Acta Crystallographica Section E","2012","68","11","o3192","","10.1107/S1600536812043218","","","0.71073","MoKα","","0.0293","0.0248","","","0.058","0.06","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236427","7.3062","0.0004","26.5212","0.0013","10.3361","0.0005","90","","104.012","0.001","90","","1943.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2,4-Dinitrophenyl)-3-phenyl-4-phenylsulfanyl-1<i>H</i>-pyrazole","","- C21 H14 N4 O4 S -","- C21 H14 N4 O4 S -","- C84 H56 N16 O16 S4 -","4","1","LH5484","Susindran, V.; Athimoolam, S.; Bahadur, S. Asath; Manikannan, R.; Muthusubramanian, S.","1-(2,4-Dinitrophenyl)-3-phenyl-4-phenylsulfanyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2012","68","10","o2845","","10.1107/S1600536812036914","","","0.71073","MoKα","","0.0379","0.0346","","","0.0881","0.0906","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236428","7.4863","0.001","14.706","0.002","7.7232","0.0011","90","","96.898","0.002","90","","844.1","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-<i>N</i>'-methylbenzohydrazide","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","LH5501","Zhang, Xinwen","2-Hydroxy-<i>N</i>'-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","9","o2686","","10.1107/S160053681203468X","","","0.71073","MoKα","","0.0631","0.0478","","","0.1213","0.1294","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236429","4.8728","0.001","11.711","0.003","23.378","0.006","90","","90","","90","","1334.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1,3-Benzothiazol-2-yl)-6-ethoxyphenol","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","LH5505","Kargar, Hadi; Kia, Reza; Sharafi, Zahra; Jahromi, Hossein Jalali; Tahir, Muhammad Nawaz","An orthorhombic polymorph of 2-(1,3-benzothiazol-2-yl)-6-ethoxyphenol","Acta Crystallographica Section E","2012","68","9","o2628","","10.1107/S1600536812033879","","","0.71073","MoKα","","0.1377","0.0675","","","0.1172","0.1444","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236430","12.9734","0.0005","4.99","0.0002","13.775","0.0004","90","","96.482","0.003","90","","886.06","0.06","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide","","- C16 H17 Cl F2 N3 O2 P -","- C16 H17 Cl F2 N3 O2 P -","- C32 H34 Cl2 F4 N6 O4 P2 -","2","1","LH5506","Pourayoubi, Mehrdad; Keikha, Mojtaba; Jasinski, Jerry P.; Keeley, Amanda C.","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide","Acta Crystallographica Section E","2012","68","10","o3009","","10.1107/S1600536812039712","","","0.71073","MoKα","","0.0586","0.0512","","","0.1169","0.1222","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236431","10.5048","0.0014","10.4254","0.0013","11.1294","0.0014","90","","92.772","0.004","90","","1217.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,5-Dimethyl-1,1-dioxo-2<i>H</i>-1λ^6^,2,6-thiadiazin-4-yl)benzoic acid","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C48 H48 N8 O16 S4 -","4","1","LH5507","Bhatt, Nilay; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","2-(3,5-Dimethyl-1,1-dioxo-2<i>H</i>-1λ^6^,2,6-thiadiazin-4-yl)benzoic acid","Acta Crystallographica Section E","2012","68","10","o2859","","10.1107/S1600536812037026","","","0.71073","MoKα","","0.0455","0.0378","","","0.0978","0.1026","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236432","21.0394","0.0014","20.4128","0.001","7.6711","0.0005","90","","105.729","0.006","90","","3171.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","LH5508","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","2-Methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanol","Acta Crystallographica Section E","2012","68","9","o2697","","10.1107/S160053681203499X","","","0.71073","MoKα","","0.127","0.0657","","","0.1741","0.2118","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236433","38.59","0.08","11.35","0.02","17.04","0.03","90","","101.43","0.05","90","","7315","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-{(<i>E</i>)-2-[4-(Diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium tetraphenylborate","","- C42 H43 B N2 -","- C42 H43 B N2 -","- C336 H344 B8 N16 -","8","1","LH5509","Li, Dan-Dan; Li, Rui; Li, Sheng-Li","4-{(<i>E</i>)-2-[4-(Diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium tetraphenylborate","Acta Crystallographica Section E","2012","68","9","o2694","","10.1107/S1600536812034575","","","0.71073","MoKα","","0.0912","0.0556","","","0.1616","0.1987","","","","","","1.03","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2236434","11.3691","0.0005","23.7595","0.001","25.5382","0.0011","110.322","0.001","96.172","0.001","97.079","0.001","6335.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","Hexakis{[1-(dimethylamino)propylidene]oxidanium} bis(dodecamolybdophosphate) <i>N</i>,<i>N</i>-dimethylpropionamide pentasolvate","","- C27.5 H63.5 Mo12 N5.5 O45.5 P -","- C27.5 H63.5 Mo12 N5.5 O45.5 P -","- C110 H254 Mo48 N22 O182 P4 -","4","2","LH5510","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Derakhshan Rad, Shadi","Hexakis{[1-(dimethylamino)propylidene]oxidanium} bis(dodecamolybdophosphate) <i>N</i>,<i>N</i>-dimethylpropionamide pentasolvate","Acta Crystallographica Section E","2012","68","9","m1226","m1227","10.1107/S1600536812036677","","","0.71073","MoKα","","0.1375","0.0551","","","0.073","0.0905","","","","","","0.937","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2236435","8.0204","0.0004","10.8943","0.0006","11.4329","0.0007","76.706","0.004","83.269","0.004","81.227","0.004","957.31","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-phenyl-2-[4-(trifluoromethoxy)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H17 F3 N2 O3 -","- C23 H17 F3 N2 O3 -","- C46 H34 F6 N4 O6 -","2","1","LH5511","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 1-phenyl-2-[4-(trifluoromethoxy)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","9","o2715","o2716","10.1107/S1600536812034903","","","0.71073","MoKα","","0.1051","0.0747","","","0.1826","0.2058","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236436","17.2526","0.0009","6.8899","0.0003","7.5474","0.0003","90","","95.118","0.004","90","","893.57","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","magnesium p-fluorophenoxyacetate dihydrate","Poly[[diaquabis[μ-2-(4-fluorophenoxy)acetato- κ^2^<i>O</i>^1^:<i>O</i>^1'^]magnesium] 0.4-hydrate]","","- C16 H16.8 F2 Mg O8.4 -","- C16 H16.8 F2 Mg O8.4 -","- C32 H33.6 F4 Mg2 O16.8 -","2","0.5","LH5512","Smith, Graham","Poly[[diaquabis[μ-2-(4-fluorophenoxy)acetato-κ^2^<i>O</i>^1^:<i>O</i>^1'^]magnesium] 0.4-hydrate]","Acta Crystallographica Section E","2012","68","9","m1178","","10.1107/S1600536812035246","","","0.71073","MoKα","","0.0651","0.0467","","","0.0995","0.1086","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236437","6.5214","0.0004","9.2078","0.0006","10.5763","0.0007","67.447","0.006","80.212","0.005","78.863","0.005","572.24","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","<i>N</i>-(Dimethoxythiophosphanoyl)cyclohexanamine","<i>O</i>,<i>O</i>'-Dimethyl (cyclohexylamido)thiophosphate","","- C8 H18 N O2 P S -","- C8 H18 N O2 P S -","- C16 H36 N2 O4 P2 S2 -","2","1","LH5513","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek","<i>O</i>,<i>O</i>'-Dimethyl (cyclohexylamido)thiophosphate","Acta Crystallographica Section E","2012","68","10","o2891","","10.1107/S160053681203766X","","","0.71073","MoKα","","0.0311","0.025","","","0.0668","0.0685","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236438","5.3924","0.0002","16.5111","0.0005","20.1415","0.0006","90","","91.315","0.002","90","","1792.82","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-Aminophenyl)-4-(4-ethoxyphenyl)-2-methoxynicotinonitrile","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","LH5514","Suwunwong, Thitipone; Chantrapromma, Suchada; Fun, Hoong-Kun","6-(4-Aminophenyl)-4-(4-ethoxyphenyl)-2-methoxynicotinonitrile","Acta Crystallographica Section E","2012","68","9","o2812","o2813","10.1107/S1600536812036276","","","0.71073","MoKα","","0.0959","0.0522","","","0.1308","0.1591","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236439","13.679","0.003","6.799","0.001","13.797","0.003","90","","97.37","0.02","90","","1272.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-(2-Hydroxy-3-methoxybenzylideneamino)-6-methyl-3- sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2<i>H</i>)-one","","- C12 H12 N4 O3 S -","- C12 H12 N4 O3 S -","- C48 H48 N16 O12 S4 -","4","1","LH5515","Shirinkam, Bahareh; Tabatabaee, Masoumeh; Gassemzadeh, Mitra; Neumuller, Bernhard","(<i>E</i>)-4-(2-Hydroxy-3-methoxybenzylideneamino)-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","9","o2815","","10.1107/S1600536812036756","","","0.71073","MoKα","","0.1903","0.0626","","","0.1187","0.1484","","","","","","0.687","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236440","8.0922","0.0003","9.2314","0.0004","17.7414","0.0008","90","","100.075","0.002","90","","1304.89","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ^6^,2-benzothiazol-2-yl)acetate","","- C12 H13 N O5 S -","- C12 H13 N O5 S -","- C48 H52 N4 O20 S4 -","4","1","LH5516","Zia-ur-Rehman, Muhammad; Shahid, Bilal; Siddiqui, Hamid Latif; Ahmad, Tanveer; Parvez, Masood","Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ^6^,2-benzothiazol-2-yl)acetate","Acta Crystallographica Section E","2012","68","9","o2761","","10.1107/S1600536812036148","","","0.71073","MoKα","","0.0737","0.0551","","","0.1069","0.1188","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236441","7.4933","0.0002","13.9702","0.0003","14.5844","0.0003","109.046","0.0014","96.5998","0.0014","93.4671","0.0011","1425.77","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-[2-(2-Chlorophenyl)-2-oxoethyl]-2,3-dihydro-1λ^6^,2-benzothiazole- 1,1,3-trione","","- C15 H10 Cl N O4 S -","- C15 H10 Cl N O4 S -","- C60 H40 Cl4 N4 O16 S4 -","4","2","LH5517","Sattar, Nazia; Siddiqui, Hamid Latif; Ahmad, Naveed; Hussain, Tanvir; Parvez, Masood","2-[2-(2-Chlorophenyl)-2-oxoethyl]-2,3-dihydro-1λ^6^,2-benzothiazole-1,1,3-trione","Acta Crystallographica Section E","2012","68","9","o2802","","10.1107/S1600536812036653","","","0.71073","MoKα","","0.0588","0.0449","","","0.0953","0.1051","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236442","22.3528","0.0013","8.1659","0.0005","19.7132","0.0012","90","","90","","90","","3598.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl 6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-enecarboxylate","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","2","LH5518","Fun, Hoong-Kun; Farhadikoutenaei, Abbas; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","Ethyl 6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-enecarboxylate","Acta Crystallographica Section E","2012","68","9","o2788","o2789","10.1107/S1600536812036446","","","0.71073","MoKα","","0.0576","0.0493","","","0.1338","0.1393","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236443","11.2193","0.0007","12.9719","0.0008","12.9832","0.0008","82.637","0.001","69.831","0.001","82.976","0.001","1752.83","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-<i>N</i>-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate","","- C16 H27 Cl N O1.5 -","- C16 H27 Cl N O1.5 -","- C64 H108 Cl4 N4 O6 -","4","2","LH5519","Mokhtabad Amrei, Leila; Boeré, René T.","(<i>Z</i>)-<i>N</i>-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate","Acta Crystallographica Section E","2012","68","10","o2870","","10.1107/S1600536812037543","","","0.71073","MoKα","","0.0578","0.0394","","","0.0907","0.1008","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236444","6.8028","0.0006","8.8925","0.0007","10.4301","0.0011","90","","101.78","0.001","90","","617.67","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-(Piperazine-1,4-diium-1,4-diyl)dipropionate dihydrate","","- C10 H22 N2 O6 -","- C10 H22 N2 O6 -","- C20 H44 N4 O12 -","2","0.5","LH5520","Jin, Shouwen; Huang, Yanfei; Fang, Hao; Wang, Tianyi; Ding, Liangliang","3,3'-(Piperazine-1,4-diium-1,4-diyl)dipropionate dihydrate","Acta Crystallographica Section E","2012","68","10","o2827","","10.1107/S1600536812037312","","","0.71073","MoKα","","0.049","0.0399","","","0.1025","0.1112","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236445","9.3918","0.0007","10.6652","0.0007","13.9135","0.0008","111.803","0.0018","106.258","0.003","90.416","0.003","1232.5","0.14","180","1","180","1","","","","","","","","5","P -1","-P 1","2","4-cyanopyridinium hydrogen chloranilate","4-Cyanopyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate","","- C12 H6 Cl2 N2 O4 -","- C12 H6 Cl2 N2 O4 -","- C48 H24 Cl8 N8 O16 -","4","2","LH5521","Gotoh, Kazuma; Ishida, Hiroyuki","A triclinic polymorph of 4-cyanopyridinium hydrogen chloranilate","Acta Crystallographica Section E","2012","68","10","o2830","","10.1107/S1600536812037221","","","0.71075","MoKα","","0.0843","0.0655","","","0.1553","0.1641","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236446","12.3678","0.0003","5.0537","0.0001","29.1554","0.0006","90","","92.071","0.002","90","","1821.11","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Acetamidoethyl)-1<i>H</i>-indol-5-yl 4-nitrophenyl carbonate","","- C19 H17 N3 O6 -","- C19 H17 N3 O6 -","- C76 H68 N12 O24 -","4","1","LH5522","Maurin, Jan K.; Zawadzka, Anna; Łozińska, Iwona; Czarnocki, Zbigniew","3-(2-Acetamidoethyl)-1<i>H</i>-indol-5-yl 4-nitrophenyl carbonate","Acta Crystallographica Section E","2012","68","10","o2915","","10.1107/S1600536812038238","","","1.54178","CuKα","","0.0596","0.044","","","0.1314","0.1377","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236447","24.335","0.004","7.2084","0.001","16.932","0.003","90","","133.396","0.01","90","","2158.2","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-5-nitro-<i>N</i>-[(<i>E</i>)-thiophen-2-ylmethylidene]aniline","","- C11 H9 N3 O2 S -","- C11 H9 N3 O2 S -","- C88 H72 N24 O16 S8 -","8","1","LH5523","Geiger, David K.; Geiger, H. Cristina; Donohoe, James S.","2-Amino-5-nitro-<i>N</i>-[(<i>E</i>)-thiophen-2-ylmethylidene]aniline","Acta Crystallographica Section E","2012","68","10","o2867","","10.1107/S1600536812037464","","","0.71073","MoKα","","0.0577","0.0503","","","0.1302","0.1378","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236448","8.5242","0.0001","8.5707","0.0001","14.3585","0.0003","90","","90","","90","","1049.01","0.03","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3<i>R</i>,4<i>R</i>,5<i>R</i>)-1-(2-carboxyethyl)-3,4-dihydroxy-5- hydroxymethyl-<i>L</i>-proline","<i>N</i>-(2-Carboxyethyl)-2,5-dideoxy-2,5-imino-<i>D</i>-mannonic acid","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C36 H60 N4 O28 -","4","1","LH5524","Edgeley, David S.; Martínez, R. Fernando; Jenkinson, Sarah F.; Nash, Robert J.; Fleet, George W. J.; Thompson, Amber L.","<i>N</i>-(2-Carboxyethyl)-2,5-dideoxy-2,5-imino-<small>D</small>-mannonic acid [(3<i>R</i>,4<i>R</i>,5<i>R</i>)-1-(2-carboxyethyl)-3,4-dihydroxy-5-hydroxymethyl-<small>L</small>-proline]","Acta Crystallographica Section E","2012","68","10","o2865","o2866","10.1107/S1600536812037488","","","0.71073","MoKα","","0.0259","0.0242","","0.0615","0.0589","0.0615","","","","","","0.9311","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236449","8.6674","0.0013","10.9865","0.0017","12.1352","0.0019","74.405","0.003","72.891","0.003","85.981","0.004","1063.7","0.3","100","1","100","","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","- C25 H32 O3 -","- C25 H32 O3 -","- C50 H64 O6 -","2","1","LH5525","Ngaini, Zainab; Fadzillah, Siti Muhaini Haris; Hussain, Hasnain; Razak, Ibrahim Abdul; Asik, Safra Izuani Jama","(<i>E</i>)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2935","o2936","10.1107/S160053681203872X","","","0.71073","MoKα","","0.0683","0.0497","","","0.1426","0.1602","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236450","12.2602","0.0003","13.7267","0.0004","15.3163","0.0004","99.357","0.001","93.7","0.001","94.003","0.001","2529.56","0.12","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[4-(morpholin-4-yl)phenyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1<i>H</i>-1,3-benzimidazole-5-carboxylate monohydrate","","- C27 H34 N4 O5 -","- C27 H34 N4 O5 -","- C108 H136 N16 O20 -","4","2","LH5526","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 2-[4-(morpholin-4-yl)phenyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-1,3-benzimidazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","10","o2967","o2968","10.1107/S1600536812039268","","","0.71073","MoKα","","0.0772","0.0552","","","0.1372","0.1518","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236451","8.7793","0.0015","8.4442","0.0015","23.81","0.004","90","","97.312","0.006","90","","1750.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[4-(Azetidin-1-ylsulfonyl)phenyl]-<i>N</i>-(2,4-difluorobenzyl) acetamide","","- C18 H18 F2 N2 O3 S -","- C18 H18 F2 N2 O3 S -","- C72 H72 F8 N8 O12 S4 -","4","1","LH5527","Lin, Jian-Mei; Li, Jia-Wen; Lv, Jing-Song","<i>N</i>-[4-(Azetidin-1-ylsulfonyl)phenyl]-<i>N</i>-(2,4-difluorobenzyl)acetamide","Acta Crystallographica Section E","2012","68","10","o2929","","10.1107/S1600536812038342","","","0.71073","MoKα","","0.0524","0.0468","","","0.1367","0.1432","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236452","17.2908","0.0008","6.9946","0.0003","27.1617","0.0011","90","","90","","90","","3285","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>N</i>'-[(<i>E</i>)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy)acetohydrazide","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C152 H128 N16 O24 -","8","2","LH5528","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","<i>N</i>'-[(<i>E</i>)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy)acetohydrazide","Acta Crystallographica Section E","2012","68","10","o2923","o2924","10.1107/S1600536812038408","","","0.71073","MoKα","","0.0797","0.0486","","","0.095","0.1118","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236453","5.499","0.003","10.079","0.006","19.942","0.012","90","","92.758","0.007","90","","1104","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Naphthalen-1-ylmethylidene)-4<i>H</i>-1,2,4-triazol-4-amine","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","LH5529","Yang, Pan; Ding, Bin; Du, Gui-Xiang","<i>N</i>-(Naphthalen-1-ylmethylidene)-4<i>H</i>-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2012","68","10","o2966","","10.1107/S1600536812039104","","","0.71073","MoKα","","0.0511","0.0417","","","0.1061","0.1131","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236454","11.9975","0.0002","9.962","0.0002","12.7511","0.0002","90","","94.468","0.001","90","","1519.37","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2<i>H</i>-Benzotriazol-2-yl)-6-[(dicyclohexylamino)methyl]-4-(2,4,4- trimethylpentan-2-yl)phenol","","- C33 H48 N4 O -","- C33 H48 N4 O -","- C66 H96 N8 O2 -","2","1","LH5530","Chen, Ming-Jen; Wu, Ban-Hsin; Li, Chen-Yu; Lin, Chia-Her; Ko, Bao-Tsan","2-(2<i>H</i>-Benzotriazol-2-yl)-6-[(dicyclohexylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol","Acta Crystallographica Section E","2012","68","10","o2944","","10.1107/S1600536812038962","","","0.71073","MoKα","","0.0427","0.0356","","","0.0949","0.1007","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236455","8.036","0.0007","9.3969","0.0008","9.5101","0.0009","105.789","0.001","103.303","0.001","106.497","0.002","624.75","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methyl-1<i>H</i>-benzimidazol-3-ium) naphthalene-1,5-disulfonate","","- C26 H24 N4 O6 S2 -","- C26 H24 N4 O6 S2 -","- C26 H24 N4 O6 S2 -","1","0.5","LH5531","Wei, Shuai-Shuai; Jin, Shou-Wen; Dong, Qiong; Cao, Xin-Chao; Yu, Ze-Yun","Bis(2-methyl-1<i>H</i>-benzimidazol-3-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","10","o2964","","10.1107/S1600536812039396","","","0.71073","MoKα","","0.057","0.0427","","","0.1082","0.1191","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236456","22.902","0.0006","22.902","0.0006","18.326","0.0006","90","","90","","90","","9612","0.5","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","5-Chloro-<i>N</i>-{4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl}-\ 3-phenyl-1<i>H</i>-indole-2-carboxamide","","- C25 H17 Cl F3 N3 O2 S -","- C25 H17 Cl F3 N3 O2 S -","- C400 H272 Cl16 F48 N48 O32 S16 -","16","1","LH5532","Akkurt, Mehmet; Çelik, İsmail; Gürbüzel, Füsun Kazan; Özkırımlı, Sumru; Büyükgüngör, Orhan","5-Chloro-<i>N</i>-{4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl}-3-phenyl-1<i>H</i>-indole-2-carboxamide","Acta Crystallographica Section E","2012","68","10","o2969","o2970","10.1107/S1600536812039347","","","0.71073","MoKα","","0.1314","0.0731","","","0.1807","0.2095","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236457","8.3027","0.0002","8.5915","0.0003","22.3476","0.0007","90","","90.674","0.002","90","","1594","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3,4-dimethyl-5,5-dioxo-1<i>H</i>,4<i>H</i>- benzo[<i>e</i>]pyrazolo[4,3-<i>c</i>][1,2]thiazin-1-yl)acetate","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","LH5533","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Zia-ur-Rehman, Muhammad; Parvez, Masood","Ethyl 2-(3,4-dimethyl-5,5-dioxo-1<i>H</i>,4<i>H</i>-benzo[<i>e</i>]pyrazolo[4,3-<i>c</i>][1,2]thiazin-1-yl)acetate","Acta Crystallographica Section E","2012","68","10","o3010","","10.1107/S1600536812039797","","","0.71073","MoKα","","0.0756","0.0556","","","0.1105","0.1265","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236458","6.8627","0.0014","19.434","0.004","9.854","0.002","90","","99.9","0.03","90","","1294.7","0.5","100","2","100","2","","","","","","","","5","I 1 a 1","I -2ya","9","","2-Aminopyridinium <i>trans</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>)chromate(III)","","- C9 H11 Cr N2 O10 -","- C9 H11 Cr N2 O10 -","- C36 H44 Cr4 N8 O40 -","4","1","LH5534","Nenwa, Justin; Bebga, Gouet; Martin, Signé; Bélombé, Michel M.; Mbarki, Mohammed; Fokwa, Boniface P. T.","2-Aminopyridinium <i>trans</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>)chromate(III)","Acta Crystallographica Section E","2012","68","11","m1325","m1326","10.1107/S1600536812040950","","","0.71073","MoKα","","0.0433","0.0386","","","0.0848","0.0878","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236459","9.2694","0.0004","18.3156","0.0008","12.6716","0.0007","90","","105.124","0.005","90","","2076.8","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-3-Methyl-1-phenyl-4-[(<i>p</i>-tolyl)(<i>p</i>- tolylamino)methylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","LH5535","Sharma, Naresh; Vyas, Komal M.; Jadeja, R. N.; Kant, Rajni; Gupta, Vivek K.","(<i>Z</i>)-3-Methyl-1-phenyl-4-[(<i>p</i>-tolyl)(<i>p</i>-tolylamino)methylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","10","o3036","","10.1107/S1600536812040330","","","0.71073","MoKα","","0.1001","0.0523","","","0.106","0.1316","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236460","12.366","0.014","6.789","0.008","12.579","0.014","90","","105.15","0.014","90","","1019","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(4-chlorobenzoyl)-<i>N</i>-(2-chlorophenyl)-<i>O</i>-[2-(2- nitrophenyl)acetyl]hydroxylamine","","- C21 H14 Cl2 N2 O5 -","- C21 H14 Cl2 N2 O5 -","- C42 H28 Cl4 N4 O10 -","2","1","LH5536","Ma, Jing; Ma, Yi; He, Dian","<i>N</i>-(4-chlorobenzoyl)-<i>N</i>-(2-chlorophenyl)-<i>O</i>-[2-(2-nitrophenyl)acetyl]hydroxylamine","Acta Crystallographica Section E","2012","68","11","o3067","","10.1107/S1600536812040883","","","0.71073","MoKα","","0.142","0.0542","","","","0.0686","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236461","15.572","0.005","18.706","0.005","15.853","0.005","90","","90","","90","","4618","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(5,7-dimethylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dimethylformamide disolvate","","- C50 H54 N6 O6 Zr -","- C50 H54 N6 O6 Zr -","- C200 H216 N24 O24 Zr4 -","4","1","LH5537","Steyn, Maryke; Visser, Hendrik G.; Roodt, Andreas","Tetrakis(5,7-dimethylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","11","m1344","m1345","10.1107/S1600536812042092","","","0.71073","MoKα","","0.066","0.0411","","","","0.0985","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236462","6.8377","0.0003","8.1115","0.0004","28.6187","0.0016","90","","90","","90","","1587.31","0.14","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","<i>N</i>,<i>N</i>-Dibenzyl-<i>O</i>,<i>O</i>'-dimethyl thiophosphate","","","- C16 H20 N O2 P S -","- C16 H20 N O2 P S -","- C64 H80 N4 O8 P4 S4 -","4","1","LH5538","Raissi Shabari, Akbar; Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Babiak, Michal","<i>N</i>,<i>N</i>-Dibenzyl-<i>O</i>,<i>O</i>'-dimethyl thiophosphate","Acta Crystallographica Section E","2012","68","11","o3074","","10.1107/S1600536812041220","","","0.71073","MoKα","","0.0301","0.0266","","","0.0631","0.0641","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236463","5.4394","0.0002","7.7754","0.0003","14.9262","0.0006","78.759","0.003","80.712","0.003","88.821","0.003","611.01","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Chlorophenyl)-4-methoxybenzamide","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C28 H24 Cl2 N2 O4 -","2","1","LH5539","Kant, Rajni; Sahi, Seema; Gupta, Vivek K.; Kapoor, Kamini; Paul, Satya","<i>N</i>-(4-Chlorophenyl)-4-methoxybenzamide","Acta Crystallographica Section E","2012","68","11","o3077","","10.1107/S1600536812041384","","","0.71073","MoKα","","0.049","0.0387","","","0.0929","0.0998","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236464","9.5586","0.0003","14.926","0.0005","16.7007","0.0006","90","","100.521","0.002","90","","2342.66","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(dicyanamido- κ<i>N</i>^1^)cadmium","","- C24 H16 Cd N10 -","- C24 H16 Cd N10 -","- C96 H64 Cd4 N40 -","4","1","LH5540","Mal, Dasarath; Sen, Rupam; Brandao, Paula; Lin, Zhi","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(dicyanamido-κ<i>N</i>^1^)cadmium","Acta Crystallographica Section E","2012","68","11","m1428","","10.1107/S1600536812044108","","","0.71073","MoKα","","0.0414","0.0283","","","0.0633","0.0687","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236465","6.2764","0.0007","6.9208","0.0007","12.781","0.0017","99.676","0.007","92.638","0.007","112.639","0.005","501.36","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis[2-(pyridin-4-yl-κ<i>N</i>)pyrimidine-5-carboxylato]zinc","","- C20 H20 N6 O8 Zn -","- C20 H20 N6 O8 Zn -","- C20 H20 N6 O8 Zn -","1","0.5","LH5541","Sen, Rupam; Mal, Dasarath; Brandao, Paula; Lin, Zhi","Tetraaquabis[2-(pyridin-4-yl-κ<i>N</i>)pyrimidine-5-carboxylato]zinc","Acta Crystallographica Section E","2012","68","11","m1429","","10.1107/S160053681204411X","","","0.71073","MoKα","","0.0361","0.0325","","","0.0874","0.0893","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236466","23.535","0.003","13.0758","0.0011","24.65","0.002","90","","115.67","0.02","90","","6837.1","1.6","298","2","298","2","101.3","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-carbonyl-bis[bis(triphenylphosphane)rhodium(0)](<i>Rh</i>—<i>Rh</i>) acetone disolvate","","- C80 H72 O4 P4 Rh2 -","- C74 H60 O2 P4 Rh2 -","- C296 H240 O8 P16 Rh8 -","4","0.5","LH5542","Gueorguieva, Petia G.; Laneman, Scott A.; Stanley, George G.; Fronczek, Frank R.; Watkins, Steven F.","Di-μ-carbonyl-bis[bis(triphenylphosphane)rhodium(0)](<i>Rh</i>—<i>Rh</i>) acetone disolvate","Acta Crystallographica Section E","2012","68","11","m1408","m1409","10.1107/S1600536812043528","","","0.71073","MoKα","","","0.0324","","","","0.0823","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236467","11.882","0.002","5.4983","0.001","17.494","0.003","90","","91.913","0.002","90","","1142.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{2-[imino(phenyl)methyl]-5-methoxyphenolato- κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)","","- C28 H24 N2 Ni O4 -","- C28 H24 N2 Ni O4 -","- C56 H48 N4 Ni2 O8 -","2","0.5","LH5543","Xiao, Yu; Li, Zhong-Qiu; Peng, Xue Yan","Bis{2-[imino(phenyl)methyl]-5-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)","Acta Crystallographica Section E","2012","68","11","m1387","","10.1107/S1600536812043061","","","0.71073","MoKα","","0.0333","0.0249","","","0.0595","0.0637","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236468","8.7636","0.0001","19.1184","0.0002","9.6735","0.0002","90","","98.485","0.001","90","","1603.02","0.04","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","midazol-1-yl)propanoate","Methyl 2-[(<i>tert</i>-butoxycarbonyl)amino]-3-(3-methyl-2-sulfanylidene- 2,3-dihydro-1<i>H</i>-imidazol-1-yl)propanoate","","- C13 H21 N3 O4 S -","- C13 H21 N3 O4 S -","- C52 H84 N12 O16 S4 -","4","1","LH5544","Chan, Chin-Feng; Guo, Yi-Cin; Huang, Bor-Hunn; Chen, Ming-Jen","Methyl 2-[(<i>tert</i>-butoxycarbonyl)amino]-3-(3-methyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-imidazol-1-yl)propanoate","Acta Crystallographica Section E","2012","68","11","o3206","","10.1107/S1600536812043486","","","1.54178","CuKα","","0.038","0.0364","","","0.1349","0.137","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236469","23.4405","0.0007","9.8835","0.0002","7.7924","0.0002","90","","99.536","0.003","90","","1780.35","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,1-Trichloro-2,2-bis(4-ethoxyphenyl)ethane","","- C18 H19 Cl3 O2 -","- C18 H19 Cl3 O2 -","- C72 H76 Cl12 O8 -","4","1","LH5546","Smith, Graham","1,1,1-Trichloro-2,2-bis(4-ethoxyphenyl)ethane","Acta Crystallographica Section E","2012","68","11","o3219","","10.1107/S1600536812043826","","","0.71073","MoKα","","0.0648","0.0457","","","0.0818","0.0916","","","","","","0.905","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236470","7.135","0.002","7.885","0.002","12.184","0.004","89.76","0.03","75.09","0.03","85.65","0.02","660.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-(Diphenylmethylidene)pyrrolidin-2-one","","- C17 H15 N O -","- C17 H15 N O -","- C34 H30 N2 O2 -","2","1","LH5547","Hsu, Tzu-Fang; Chen, Yan-Ru; Huang, Bor-Hunn; Chen, Ming-Jen","5-(Diphenylmethylidene)pyrrolidin-2-one","Acta Crystallographica Section E","2012","68","11","o3224","","10.1107/S1600536812043851","","","0.71073","MoKα","","0.1082","0.0741","","","0.1918","0.2253","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236471","8.4906","0.0004","4.8997","0.0002","18.9309","0.0009","90","","94.906","0.004","90","","784.67","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2-hydroxyiminomethyl-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^)copper(II)","","- C16 H16 Cu N2 O6 -","- C16 H16 Cu N2 O6 -","- C32 H32 Cu2 N4 O12 -","2","0.5","LR2071","Petrusenko, Svitlana R.; Belozub, Yaroslava I.; Kokozay, Volodymyr N.; Omelchenko, Irina V.","Bis(2-hydroxyiminomethyl-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^)copper(II)","Acta Crystallographica Section E","2012","68","9","m1165","","10.1107/S1600536812032187","","","0.71073","MoKα","","0.0393","0.0283","","","0.0723","0.0767","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236472","15.0788","0.0013","20.432","0.003","7.8456","0.0007","90","","90","","90","","2417.2","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","(2,6-DMPyH).Br","2,6-Dimethylpyridinium bromide","","- C7 H10 Br N -","- C7 H10 Br N -","- C84 H120 Br12 N12 -","12","1.5","LR2077","Haddad, Salim F.; Ali, Basem F.; Al-Far, Rawhi","2,6-Dimethylpyridinium bromide","Acta Crystallographica Section E","2012","68","10","o2983","o2984","10.1107/S1600536812039578","","","0.71073","MoKα","","0.0584","0.0404","","","0.0935","0.102","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236473","18.7615","0.0016","6.2105","0.0011","19.0407","0.0012","90","","114.594","0.008","90","","2017.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(2-Pyridyl)-1,3-bis(2-hydroxybenzyl)hexahydropyrimidine","2,2'-{[2-(Pyridin-2-yl)-1,3-diazinane-1,3-diyl]bis(methylene)}diphenol","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C92 H100 N12 O8 -","4","1","LR2078","Bortoluzzi, Adailton J.; Terra, Geovana G.","2,2'-{[2-(Pyridin-2-yl)-1,3-diazinane-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2012","68","9","o2744","","10.1107/S1600536812035477","","","0.71073","MoKα","","0.1234","0.0515","","","0.1225","0.1461","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236474","14.6851","0.0004","6.0786","0.0002","17.1647","0.0004","90","","102.223","0.001","90","","1497.47","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O2 S -","- C72 H68 F4 O8 S4 -","4","1","LR2079","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","9","o2742","","10.1107/S1600536812035714","","","0.71073","MoKα","","0.0449","0.0376","","","0.0958","0.1005","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236475","10.8848","0.0003","10.0453","0.0002","8.442","0.0003","90","","110.669","0.004","90","","863.64","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Ethoxybenzohydrazide","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","1","LR2080","Farman, Muhammad; Khanum, Saira; Hameed, Shahid; Jones, Peter G.; Ahmad, Tanveer","4-Ethoxybenzohydrazide","Acta Crystallographica Section E","2012","68","10","o2955","o2956","10.1107/S1600536812038998","","","0.71073","MoKα","","0.0384","0.0339","","","0.1042","0.106","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236476","11.5029","0.0004","9.5001","0.0003","16.1874","0.0006","90","","107.078","0.003","90","","1690.94","0.1","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","LR2083","Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","4,4'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","11","o3172","","10.1107/S1600536812042808","","","1.5418","CuKα","","0.0378","0.0332","","","0.1013","0.1044","","","","","","1.93","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236477","12.6753","0.0017","10.5413","0.0011","23.581","0.003","90","","100.878","0.004","90","","3094.1","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole","5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole","","- C16 H11 Br N2 S2 -","- C16 H11 Br N2 S2 -","- C128 H88 Br8 N16 S16 -","8","2","LR2085","Geiger, David K.; Destefano, Matthew R.","5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","11","o3123","","10.1107/S1600536812042146","","","0.71073","MoKα","","0.0622","0.0382","","","0.0822","0.0911","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236478","7.479","0.002","24.7","0.008","7.056","0.002","90","","107.744","0.006","90","","1241.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III)","","- C9 H10 Cr N O10 -","- C9 H10 Cr N O10 -","- C36 H40 Cr4 N4 O40 -","4","1","LR2086","Nenwa, Justin; Befolo, Olivier; Gouet, Bebga; Mbarki, Mohammed; Fokwa, Boniface P. T.","Pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III)","Acta Crystallographica Section E","2012","68","11","m1434","","10.1107/S1600536812044303","","","0.71073","MoKα","","0.1053","0.0608","","","0.1293","0.1602","","","","","","1.125","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236479","8.1385","0.0002","9.6245","0.0002","14.8388","0.0003","90","","92.997","0.002","90","","1160.72","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-chloro-<i>N</i>-ethyl-9-isopropyl-9<i>H</i>-purine-6-amine","","- C10 H14 Cl N5 -","- C10 H14 Cl N5 -","- C40 H56 Cl4 N20 -","4","1","LX2254","Giovagnoli, Federico Andrés; Rouchal, Michal; Bartoš, Peter; Vícha, Robert","2-Chloro-<i>N</i>-ethyl-9-isopropyl-9<i>H</i>-purin-6-amine","Acta Crystallographica Section E","2012","68","9","o2759","","10.1107/S1600536812035933","","","0.71073","MoKα","","0.0291","0.025","","","0.0679","0.0691","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236480","11.0043","0.0013","12.0372","0.0009","11.3693","0.001","90","","99.312","0.009","90","","1486.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Butyl-3-ethyl-1<i>H</i>-benzimidazol-3-ium tetrafluoroborate","","- C13 H19 B F4 N2 -","- C13 H19 B F4 N2 -","- C52 H76 B4 F16 N8 -","4","1","LX2260","Junge, Denise M.; Scadova, Derek R.; Golen, James A.; Jasinski, Jerry P.","1-Butyl-3-ethyl-1<i>H</i>-benzimidazol-3-ium tetrafluoroborate","Acta Crystallographica Section E","2012","68","10","o2862","","10.1107/S1600536812037476","","","1.54178","CuKα","","0.0509","0.0484","","","0.1342","0.1366","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236481","11.1008","0.0004","11.9156","0.0005","21.0511","0.0009","90","","90.944","0.002","90","","2784.11","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3'-Ferrocenylcarbonyl-1'-methyl-4'-phenylspiro[indeno[2,3- <i>b</i>]quinoxaline-11,2'-pyrrolidine]","","- C36 H29 Fe N3 O -","- C36 H29 Fe N3 O -","- C144 H116 Fe4 N12 O4 -","4","1","LX2263","Vijayakumar, B.; Gavaskar, D.; Srinivasan, T.; Raghunathan, R.; Velmurugan, D.","3'-Ferrocenylcarbonyl-1'-methyl-4'-phenylspiro[indeno[2,3-<i>b</i>]quinoxaline-11,2'-pyrrolidine]","Acta Crystallographica Section E","2012","68","11","m1382","m1383","10.1107/S1600536812042468","","","0.71073","MoKα","","0.0665","0.0378","","","0.0898","0.1051","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236482","8.5266","0.0004","15.2732","0.0007","15.5688","0.0008","69.752","0.002","88.372","0.002","80.402","0.002","1874.64","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,9,12,15,18,25,27,34,37,40,43,50-Dodecaoxa-56- azaheptacyclo[24.24.5.1^51,55^.0^3,8^.0^19,24^.0^28,33^.0^44,49^] hexapentaconta-3,5,7,19(24),20,22,28(33),29,31,44,46,48,51,53,55-pentadecaene","","- C43 H45 N O12 -","- C43 H45 N O12 -","- C86 H90 N2 O24 -","2","1","LX2264","Kim, Jun Hee; Yoon, Il; Sim, Wonbo; Lee, Jai Young","2,9,12,15,18,25,27,34,37,40,43,50-Dodecaoxa-56-azaheptacyclo[24.24.5.1^51,55^.0^3,8^.0^19,24^.0^28,33^.0^44,49^]hexapentaconta-3,5,7,19(24),20,22,28(33),29,31,44,46,48,51,53,55-pentadecaene","Acta Crystallographica Section E","2012","68","10","o2913","","10.1107/S1600536812038093","","","0.71073","MoKα","","0.0415","0.0371","","","0.0937","0.0973","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236483","9.966","0.002","15.587","0.003","10.477","0.002","90","","91.6","0.03","90","","1626.9","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-[(Pyridin-3-yl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","MW2063","Zhou, Qin-Qin","1-[(Pyridin-3-yl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","9","o2614","","10.1107/S1600536812033363","","","0.71073","MoKα","","0.0738","0.0498","","","0.1081","0.1217","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236484","12.69","0.003","13.632","0.003","14.493","0.003","96.87","0.03","115.47","0.03","110.96","0.03","1999.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3-methylbenzoato- κ^2^<i>O</i>,<i>O</i>')zinc 3-methylbenzoate‒3-methylbenzoic acid‒water (1/1/2)","","- C44 H42 N4 O8 Zn -","- C44 H42 N4 O8 Zn -","- C88 H84 N8 O16 Zn2 -","2","1","MW2076","Ye, Qiu-qi; Qi, Jin-li; Lin, Jian-li","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')zinc 3-methylbenzoate‒3-methylbenzoic acid‒water (1/1/2)","Acta Crystallographica Section E","2012","68","9","m1156","m1157","10.1107/S1600536812034216","","","0.71073","MoKα","","0.0858","0.0412","","","0.0946","0.1468","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236485","12.292","0.003","11.114","0.002","23.264","0.005","90","","98.37","0.03","90","","3144.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κ^2^<i>N</i>)imidazoline-1-oxyl 3-oxide-κ<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)","","- C24 H32 N9 O13 Tb -","- C24 H32 N9 O13 Tb -","- C96 H128 N36 O52 Tb4 -","4","1","MW2078","Li, Dong-jiao","Bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κ^2^<i>N</i>)imidazoline-1-oxyl 3-oxide-κ<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)","Acta Crystallographica Section E","2012","68","11","m1341","","10.1107/S1600536812040287","","","0.71073","MoKα","","0.0397","0.031","","","0.0667","0.0707","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236486","6.158","0.001","9.223","0.002","15.407","0.004","90","","95.785","0.008","90","","870.6","0.3","100","0.5","100","0.5","101.3","","","","","","","4","P 1 21 1","P 2yb","4","","2,5-dideoxy-2,5-epithio-1,3:4,6-bis-<i>O</i>-[(<i>R</i>)-phenylmethylene]- <i>L</i>-iditol","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C40 H40 O8 S2 -","2","1","MW2079","Gibson, Jerrell G.; Cho, Jung Young; Fronczek, Frank R.; Watkins, Steven F.","Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-<i>O</i>-[(<i>R</i>)-phenylmethylene]-<small>L</small>-iditol","Acta Crystallographica Section E","2012","68","9","o2668","o2669","10.1107/S1600536812034514","","","0.71073","MoKα","","","0.037","","","","0.0882","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236487","5.3604","0.0008","7.8585","0.0011","16.357","0.002","87.4656","0.0017","86.2519","0.0016","85.624","0.0017","685.02","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-(4-Hexyl-1<i>H</i>-1,2,3-triazol-1-yl)-2,1,3-benzoxadiazole","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C28 H34 N10 O2 -","2","1","MW2081","Key, Jessie A.; Cairo, Christopher W.; Ferguson, Michael J.","5-(4-Hexyl-1<i>H</i>-1,2,3-triazol-1-yl)-2,1,3-benzoxadiazole","Acta Crystallographica Section E","2012","68","11","o3128","o3129","10.1107/S1600536812041815","","","0.71073","MoKα","","0.0455","0.036","","","0.0924","0.0994","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236488","6.4225","0.0004","12.4973","0.0007","9.8176","0.0007","90","","101.243","0.006","90","","772.88","0.09","298","2","298","1","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4'-[<i>rel</i>-(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4- Dimethyltetrahydrofuran-2,5-diyl]diphenol","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","MW2082","Favela-Hernández, Juan Manuel de Jesús; Camacho-Corona, María del Rayo; Bernès, Sylvain; Flores-Alamo, Marcos","4,4'-[(2<i>R</i>*,3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-3,4-Dimethyltetrahydrofuran-2,5-diyl]diphenol","Acta Crystallographica Section E","2012","68","10","o3019","o3020","10.1107/S1600536812039359","","","0.71073","MoKα","","0.0752","0.0444","","","0.0925","0.1057","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236489","5.7526","0.0004","9.9261","0.0006","11.7012","0.0008","90.3799","0.0007","99.2517","0.0007","103.29","0.0007","641.14","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole","","- C15 H11 N5 O -","- C15 H11 N5 O -","- C30 H22 N10 O2 -","2","1","MW2083","Key, Jessie A.; Cairo, Christopher W.; McDonald, Robert","5-(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole","Acta Crystallographica Section E","2012","68","11","o3130","o3131","10.1107/S1600536812041827","","","0.71073","MoKα","","0.0414","0.0352","","","0.0911","0.0957","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236490","16.5752","0.0016","5.5429","0.0005","16.2452","0.0016","90","","91.3612","0.0013","90","","1492.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[1-(2,1,3-Benzoxadiazol-5-ylmethyl)-1<i>H</i>-1,2,3-triazol-4-yl]hexan-1-one","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C60 H68 N20 O8 -","4","1","MW2084","Key, Jessie A.; Cairo, Christopher W.; McDonald, Robert","1-[1-(2,1,3-Benzoxadiazol-5-ylmethyl)-1<i>H</i>-1,2,3-triazol-4-yl]hexan-1-one","Acta Crystallographica Section E","2012","68","11","o3132","","10.1107/S1600536812041839","","","0.71073","MoKα","","0.057","0.04","","","0.0836","0.0911","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236491","12.1574","0.0005","8.8559","0.0002","13.8604","0.0004","90","","93.355","0.003","90","","1489.72","0.08","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[Bis(4-fluorophenyl)methyl]piperazine","","- C17 H18 F2 N2 -","- C17 H18 F2 N2 -","- C68 H72 F8 N8 -","4","1","MW2085","Dayananda, A. S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramesha, A. R.; Kubicki, Maciej","1-[Bis(4-fluorophenyl)methyl]piperazine","Acta Crystallographica Section E","2012","68","9","o2817","","10.1107/S1600536812036902","","","1.5418","CuKα","","0.0368","0.0354","","","0.0945","0.0958","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236492","5.773","0.0003","7.7465","0.0004","15.1707","0.0008","98.318","0.003","90.638","0.003","105.641","0.002","645.55","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","Benzylammoniumhexanoate","Benzylammonium hexanoate","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C26 H42 N2 O4 -","2","1","MW2086","Wood, Mary H.; Clarke, Stuart M.","Benzylammonium hexanoate","Acta Crystallographica Section E","2012","68","10","o3004","","10.1107/S1600536812039931","","","0.71073","MoKα","","0.1101","0.0677","","","0.1523","0.1766","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236493","20.7264","0.0015","8.9791","0.0007","13.9745","0.0019","90","","127.2","0.004","90","","2071.5","0.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CAU-72","<i>catena</i>-poly[zinc-μ~3~-{3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10- diyl)bis(methylene)]dibenzoato}]","","- C24 H28 N2 O6 Zn -","- C24 H28 N2 O6 Zn -","- C96 H112 N8 O24 Zn4 -","4","0.5","MW2087","Ingram, C. W.; Liao, L.; Bacsa, J.","<i>catena</i>-Poly[zinc-μ~3~-{3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}]","Acta Crystallographica Section E","2012","68","11","m1410","","10.1107/S1600536812043450","","","1.54184","CuKα","","0.0363","0.0329","","","0.0828","0.0862","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236494","9.54362","0.00013","11.98179","0.00019","9.90669","0.00014","90","","92.9406","0.0014","90","","1131.33","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(diisopropylammonium) hexachloridostannate(IV)","","- C12 H32 Cl6 N2 Sn -","- C12 H32 Cl6 N2 Sn -","- C24 H64 Cl12 N4 Sn2 -","2","0.5","MW2089","Reiss, Guido J.; Helmbrecht, Cora","Bis(diisopropylammonium) hexachloridostannate(IV)","Acta Crystallographica Section E","2012","68","11","m1402","m1403","10.1107/S1600536812043371","","","0.71073","MoKα","","0.0254","0.0209","","","0.0453","0.0481","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236495","9.3861","0.0003","12.2552","0.0004","21.482","0.0007","85.274","0.002","86.843","0.001","74.954","0.001","2376.76","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(Nitrato-κ<i>O</i>)tris[tris(4-fluorophenyl)phosphane-κ<i>P</i>]copper(I)","","- C54 H36 Cu F9 N O3 P3 -","- C54 H36 Cu F9 N O3 P3 -","- C108 H72 Cu2 F18 N2 O6 P6 -","2","1","MW2090","Hill, Tania N.; Roodt, Andreas","(Nitrato-κ<i>O</i>)tris[tris(4-fluorophenyl)phosphane-κ<i>P</i>]copper(I)","Acta Crystallographica Section E","2012","68","11","m1396","m1397","10.1107/S1600536812043346","","","0.71073","MoKα","","","0.0346","","","","0.0846","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236496","19.0732","0.0018","11.6191","0.0011","19.693","0.003","90","","90","","90","","4364.2","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-\ bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-\ diylbis(nitrilomethanylylidene)]diphenolato}-\ 1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>'; 2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)","","- C42 H42 Cl4 Cu3 N4 O8 -","- C42 H42 Cl4 Cu3 N4 O8 -","- C168 H168 Cl16 Cu12 N16 O32 -","4","0.5","MW2092","Kubono, Koji; Tani, Keita; Yokoi, Kunihiko","Di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)","Acta Crystallographica Section E","2012","68","11","m1430","m1431","10.1107/S1600536812044315","","","0.71069","MoKα","","","0.035","","","","0.1048","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236497","22.3018","0.0008","4.6829","0.0016","31.6082","0.0012","90","","103.752","0.004","90","","3206.4","1.1","190","2","190","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-[5-(4-Formylphenoxy)pentoxy]benzaldehyde","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","NC2286","Balić, Tomislav; Marković, Berislav; Balić, Ivana","4-[5-(4-Formylphenoxy)pentoxy]benzaldehyde","Acta Crystallographica Section E","2012","68","9","o2664","","10.1107/S1600536812034241","","","0.71073","MoKα","","0.0504","0.0386","","","0.0913","0.0982","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236498","4.8159","0.0005","10.2482","0.0005","8.3573","0.0009","90","","102.842","0.004","90","","402.15","0.06","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>E</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-2-(4,5,6-Trihydroxycyclohex-2-en-1- ylidene)acetonitrile","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","NC2287","Guedem, Alphonsine N.; Sandjo, Louis P.; Opatz, Till; Schollmeyer, Dieter; Ngadjui, Bonaventure T.","(2<i>E</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-2-(4,5,6-Trihydroxycyclohex-2-en-1-ylidene)acetonitrile","Acta Crystallographica Section E","2012","68","9","o2737","","10.1107/S1600536812035313","","","1.54178","CuKα","","0.0258","0.0255","","","0.0708","0.0711","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236499","11.8915","0.0001","11.8915","0.0001","11.5736","0.0002","90","","90","","120","","1417.33","0.03","123","","123","","","","","","","","","4","R -3","-R 3","148","Acetylene‒ammonia‒18-crown-6 (1/2/1)","Ethyne‒ammonia‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/2/1)","","- C14 H32 N2 O6 -","- C14 H32 N2 O6 -","- C42 H96 N6 O18 -","3","","NC2288","Grassl, Tobias; Hamberger, Markus; Korber, Nikolaus","Acetylene‒ammonia‒18-crown-6 (1/2/1)","Acta Crystallographica Section E","2012","68","10","o2933","","10.1107/S1600536812038792","","","1.54184","CuKα","","0.0387","0.0363","","","0.0968","0.1001","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236500","10.898","0.005","6.23","0.003","15.095","0.008","90","","108.928","0.006","90","","969.5","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-2-[(2-Aminophenyl)iminomethyl]-4,6-di-<i>tert</i>-butylphenol","","- C21 H28 N2 O -","- C21 H28 N2 O -","- C42 H56 N4 O2 -","2","1","NC2289","Ding, Liqin; Lü, Xingqiang; Zhao, Shunsheng; Zhu, Yuqin","(<i>E</i>)-2-[(2-Aminophenyl)iminomethyl]-4,6-di-<i>tert</i>-butylphenol","Acta Crystallographica Section E","2012","68","10","o2942","","10.1107/S1600536812038615","","","0.71073","MoKα","","0.0481","0.0438","","","0.1232","0.1285","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236501","13.973","0.002","9.1794","0.0013","7.5105","0.0011","90","","99.441","0.004","90","","950.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[4-(2-Propyn-1-yloxy)phenyl]acetamide","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","NC2291","Belay, Yonas H.; Kinfe, Henok H.; Muller, Alfred","<i>N</i>-[4-(2-Propyn-1-yloxy)phenyl]acetamide","Acta Crystallographica Section E","2012","68","11","o3072","","10.1107/S1600536812041207","","","0.71073","MoKα","","0.0421","0.0367","","","","0.0998","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236502","8.693","0.0017","10.175","0.002","12.203","0.002","97.452","0.004","100.683","0.004","111.61","0.003","962.7","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(Acetato-κ<i>O</i>)(acetato-κ<i>O</i>,<i>O</i>')bis(1,3-diazinane-2-thione- κ<i>S</i>)cadmium(II)","","- C12 H22 Cd N4 O4 S2 -","- C12 H22 Cd N4 O4 S2 -","- C24 H44 Cd2 N8 O8 S4 -","2","1","NC2292","Mahmood, Rashid; Ghulam Hussain, Saima; Fettouhi, Mohammed; Isab, Anvarhusein A.; Ahmad, Saeed","(Acetato-κ<i>O</i>)(acetato-κ<i>O</i>,<i>O</i>')bis(1,3-diazinane-2-thione-κ<i>S</i>)cadmium(II)","Acta Crystallographica Section E","2012","68","11","m1352","m1353","10.1107/S1600536812041852","","","0.71073","MoKα","","0.0473","0.0329","","","0.076","0.0817","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236503","11.5954","0.0005","12.087","0.0007","13.4304","0.0001","100.224","0.002","94.6231","0.0017","95.0167","0.0013","1836.44","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Octacarbonyldi-μ~2~-hydrido-[μ~3~-(1,3,5- trimethylphenyl)phosphinidene](triphenylphosphane)-<i>triangulo</i>- triruthenium","","- C35 H28 O8 P2 Ru3 -","- C35 H28 O8 P2 Ru3 -","- C70 H56 O16 P4 Ru6 -","2","1","NC2293","Kakizawa, Taeko","Octacarbonyldi-μ~2~-hydrido-[μ~3~-(1,3,5-trimethylphenyl)phosphinidene](triphenylphosphane)-<i>triangulo</i>-triruthenium","Acta Crystallographica Section E","2012","68","10","m1293","","10.1107/S1600536812039499","","","0.71069","MoKα","","0.0356","0.0302","","","0.0922","0.118","","","","","","1.228","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236504","6.4775","0.0004","7.0037","0.0004","13.1628","0.0008","88.81","0.005","87.033","0.005","71.927","0.006","566.92","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis[(3-hydroxy-4(4<i>H</i>)-oxypyran-2-yl)methyl]-<i>N</i>, <i>N</i>'-dimethylethylene-1,2-diammonium tetrachloridoplatinate(II) dihydrate","","- C16 H26 Cl4 N2 O8 Pt -","- C16 H26 Cl4 N2 O8 Pt -","- C16 H26 Cl4 N2 O8 Pt -","1","0.5","NC2294","Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Paoli, Paola; Rossi, Patrizia","<i>N</i>,<i>N</i>'-bis[(3-hydroxy-4(4<i>H</i>)-oxypyran-2-yl)methyl]-<i>N</i>,<i>N</i>'-dimethylethylene-1,2-diammonium tetrachloridoplatinate(II) dihydrate","Acta Crystallographica Section E","2012","68","11","m1323","m1324","10.1107/S1600536812040949","","","0.71073","MoKα","","0.0237","0.0234","","","0.049","0.049","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236505","12.5263","0.0007","6.7638","0.0004","29.703","0.002","90","","98.352","0.005","90","","2489.9","0.3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Potassium <i>N</i>-bromo-2,4-dichlorobenzenesulfonamidate sesquihydrate","","- C6 H6 Br Cl2 K N O3.5 S -","- C6 H6 Br Cl2 K N O3.5 S -","- C48 H48 Br8 Cl16 K8 N8 O28 S8 -","8","1","NC2295","Gowda, B. Thimme; Foro, Sabine; Spandana, H. S.","Potassium <i>N</i>-bromo-2,4-dichlorobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2012","68","11","m1368","","10.1107/S1600536812042456","","","0.71073","MoKα","","0.0445","0.0372","","","0.0896","0.0925","","","","","","1.09","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2236506","12.0137","0.0002","8.2257","0.0001","15.0513","0.0002","90","","102.952","0.001","90","","1449.54","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibenzo[<i>b</i>,<i>f</i>][1,4]thiazepin-11-yl-diethyl-amine","","- C17 H18 N2 S -","- C17 H18 N2 S -","- C68 H72 N8 S4 -","4","1","NC2296","Altamura, Maria; Guidi, Antonio; Jierry, Loic; Paoli, Paola; Rossi, Patrizia","Dibenzo[<i>b</i>,<i>f</i>][1,4]thiazepin-11-yl-diethyl-amine","Acta Crystallographica Section E","2012","68","11","o3133","o3134","10.1107/S1600536812042328","","","1.5418","CuKα","","0.0429","0.0316","","","0.0821","0.0862","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236507","15.62","0.003","14.598","0.003","18.616","0.004","90","","90","","90","","4244.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^5^]","","- C23 H20 Cu N4 O6 -","- C23 H20 Cu N4 O6 -","- C184 H160 Cu8 N32 O48 -","8","1","NG5281","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan","<i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section E","2012","68","9","m1140","","10.1107/S160053681203111X","","","0.71073","MoKα","","0.0859","0.0467","","","0.0962","0.1087","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236508","7.5493","0.001","6.6775","0.0009","19.335","0.003","90","","92.884","0.002","90","","973.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua-μ-bromido-(μ~2~-5-methylpyrazine-2-carboxylato- κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^)lead(II)]","","- C6 H7 Br N2 O3 Pb -","- C6 H7 Br N2 O3 Pb -","- C24 H28 Br4 N8 O12 Pb4 -","4","1","NG5284","Yang, Pan; Liu, Yan; Li, Hua Yun; Ding, Bin","Poly[aqua-μ-bromido-(μ~2~-5-methylpyrazine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^)lead(II)]","Acta Crystallographica Section E","2012","68","9","m1139","","10.1107/S1600536812033776","","","0.71073","MoKα","","0.036","0.0334","","","0.0887","0.0905","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236509","7.7353","0.0009","17.478","0.002","8.3822","0.001","90","","102.137","0.002","90","","1107.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II) bis(thiocyanate)","","- C22 H18 N8 Pd S2 -","- C22 H18 N8 Pd S2 -","- C44 H36 N16 Pd2 S4 -","2","0.5","NG5285","Ha, Kwang","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II) bis(thiocyanate)","Acta Crystallographica Section E","2012","68","9","m1145","","10.1107/S1600536812033958","","","0.71073","MoKα","","0.0623","0.0344","","","0.0723","0.0883","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236510","6.1874","0.0003","10.7109","0.0004","26.8188","0.0011","79.128","0.004","89.027","0.004","82.883","0.003","1731.97","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Dicyclohexyl-4-nitrobenzamide","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","2","NG5286","Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan","<i>N</i>,<i>N</i>-Dicyclohexyl-4-nitrobenzamide","Acta Crystallographica Section E","2012","68","9","o2762","","10.1107/S1600536812035660","","","1.54184","CuKα","","0.085","0.0797","","","0.2332","0.2394","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236511","7.346","0.002","7.866","0.002","12.342","0.003","101.61","0.03","90.51","0.03","98.72","0.03","689.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2,6-Diacetylpyridine‒resorcinol (1/1)","1-(6-Acetylpyridin-2-yl)ethanone‒benzene-1,3-diol (1/1)","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C30 H30 N2 O8 -","2","1","NG5287","Ton, Quoc-Cuong; Bolte, Michael","2,6-Diacetylpyridine‒resorcinol (1/1)","Acta Crystallographica Section E","2012","68","9","o2699","","10.1107/S1600536812035131","","","0.71073","MoKα","","0.0858","0.0502","","","0.1179","0.1297","","","","","","0.934","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236512","8.2349","0.0005","10.5411","0.0007","13.5115","0.0009","93.412","0.003","94.139","0.003","105.102","0.003","1125.66","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-(3-Benzyl-4,6-dibenzyloxy-2-hydroxyphenyl)ethanone","","- C29 H26 O4 -","- C29 H26 O4 -","- C58 H52 O8 -","2","1","NG5288","Hill, Tania N.; Kuo, C.-M.; Bezuidenhoudt, Barend C. B.","1-(3-Benzyl-4,6-dibenzyloxy-2-hydroxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","10","o2863","","10.1107/S160053681203588X","","","0.71073","MoKα","","","0.0429","","","","0.1073","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236513","15.1249","0.0005","4.6223","0.0001","17.1024","0.0006","90","","107.782","0.004","90","","1138.54","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","caesium 3,5-dinitrobenzoate dihydrate","Poly[μ~3~-aqua-aqua(μ~3~-3,5-dinitrobenzoato- κ<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)caesium]","","- C7 H7 Cs N2 O8 -","- C7 H7 Cs N2 O8 -","- C28 H28 Cs4 N8 O32 -","4","1","NG5289","Smith, Graham","Poly[μ~3~-aqua-aqua(μ~3~-3,5-dinitrobenzoato-κ<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)caesium]","Acta Crystallographica Section E","2012","68","10","m1241","m1242","10.1107/S1600536812037130","","","0.71073","MoKα","","0.0294","0.0236","","","0.0461","0.0484","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236514","24.906","0.0004","24.906","","14.9684","0.0002","90","","90","","90","","9285.03","0.19","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","3,5,3',5'-Tetramethyl-4,4'-bi(1<i>H</i>-pyrazolyl) hemihydrate","","- C10 H15 N4 O0.5 -","- C10 H15 N4 O0.5 -","- C320 H480 N128 O16 -","32","1","NG5290","Jin, Shouwen; Huang, Yanfei; Fang, Hao; Wang, Tianyi; Ding, Liangliang","3,5,3',5'-Tetramethyl-4,4'-bi(1<i>H</i>-pyrazolyl) hemihydrate","Acta Crystallographica Section E","2012","68","10","o2896","","10.1107/S1600536812037920","","","0.71073","MoKα","","0.0797","0.0525","","","0.151","0.169","","","","","","1.099","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236515","14.963","0.003","8.5","0.002","20.385","0.004","90","","90","","90","","2592.7","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","chelidamic acid and 2,6-diaminopyridine","2,6-Diaminopyridinium 4-hydroxypyridin-1-ium-2,6-dicarboxylate","","- C12 H12 N4 O5 -","- C12 H12 N4 O5 -","- C96 H96 N32 O40 -","8","2","NG5291","Ton, Quoc-Cuong; Bolte, Michael","Intra- and intermolecular proton transfer in 2,6-diaminopyridinium 4-hydroxypyridin-1-ium-2,6-dicarboxylate","Acta Crystallographica Section E","2012","68","10","o2860","o2861","10.1107/S1600536812037580","","","0.71073","MoKα","","0.0431","0.0362","","","0.0802","0.0828","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236516","10.148","0.0011","11.0016","0.0011","21.183","0.002","90","","90","","90","","2365","0.4","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~4~-3,5,9,11-tetraoxo- 4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10- diido)disilver(I)]","","- C26 H22 Ag2 N6 O4 -","- C26 H22 Ag2 N6 O4 -","- C104 H88 Ag8 N24 O16 -","4","0.5","NG5293","Zhang, Yongmei","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~4~-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10-diido)disilver(I)]","Acta Crystallographica Section E","2012","68","10","m1289","m1290","10.1107/S1600536812039669","","","0.71073","MoKα","","0.0709","0.0338","","","0.0775","0.0935","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236517","12.3791","0.0008","13.1285","0.0009","21.5723","0.0015","90","","97.405","0.004","90","","3476.7","0.4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methylamino-<i>N</i>k) (triphenylphosphine-κ<i>P</i>)ruthenium(II) chloride dichloromethane solvate monohydrate","","- C30 H39 B Cl3 N8 O P Ru -","- C30 H39 B Cl3 N8 O P Ru -","- C120 H156 B4 Cl12 N32 O4 P4 Ru4 -","4","1","NG5297","Lin, Yi-Dong; Chang, Chin-Pei; Huang, Quan-Sheng; Lo, Yih-Hsing","[Hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methylamino-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)ruthenium(II) chloride dichloromethane solvate monohydrate","Acta Crystallographica Section E","2012","68","11","m1346","","10.1107/S1600536812042110","","","0.71073","MoKα","","0.1812","0.0711","","","0.1277","0.167","","","","","","0.991","","","","has coordinates,has Fobs","194589","2020-10-21","18:00:00",""
"2236518","15.4522","0.0008","13.9073","0.0008","19.3269","0.001","90","","103.862","0.003","90","","4032.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(diphenyl-<i>p</i>-tolylphosphane-κ<i>P</i>)(2-hydroxy-3,5,7-\ bromocyclohepta-2,4,6-trienonato-κ^2^<i>O</i>,<i>O</i>')copper(I)","","- C45 H36 Br3 Cu O2 P2 -","- C45 H36 Br3 Cu O2 P2 -","- C180 H144 Br12 Cu4 O8 P8 -","4","0.5","NG5299","Barnard, Nicola I.; Hill, Tania N.","Bis(diphenyl-<i>p</i>-tolylphosphane-κ<i>P</i>)(2-hydroxy-3,5,7-bromocyclohepta-2,4,6-trienonato-κ^2^<i>O</i>,<i>O</i>')copper(I)","Acta Crystallographica Section E","2012","68","11","m1354","m1355","10.1107/S1600536812042286","","","0.71073","MoKα","","0.0618","0.0444","","","","0.1302","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236519","4.6813","0.001","6.1986","0.0016","12.993","0.003","90","","92.995","0.017","90","","376.51","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Sodium pentafluorophenylborate","","- C6 H3 B F5 Na -","- C6 H3 B F5 Na -","- C12 H6 B2 F10 Na2 -","2","1","NG5300","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","Sodium pentafluorophenylborate","Acta Crystallographica Section E","2012","68","11","m1371","","10.1107/S1600536812042584","","","0.71073","MoKα","","0.0757","0.0583","","","0.1297","0.1379","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236520","10.215","0.003","7.4588","0.0019","11.819","0.003","90","","100.17","0.005","90","","886.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","9-(2-carboxy-2-cyanovinyl) julolidine or CCVJ","2-Cyano-3-(2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizin- 9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C36 H44 N4 O6 S2 -","2","1","NG5301","Yennawar, Hemant; He, Gang; Rumble, Christopher; Maroncelli, Mark","2-Cyano-3-(2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizin-9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","11","o3204","o3205","10.1107/S1600536812043383","","","0.71073","MoKα","","0.0708","0.0512","","","0.1314","0.1455","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236521","8.8621","0.0018","8.9016","0.0018","12.523","0.003","88.33","0.03","69.31","0.03","66.85","0.03","842.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]- μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate]","","- C16 H16 Cu N2 O8 -","- C16 H16 Cu N2 O8 -","- C32 H32 Cu2 N4 O16 -","2","1","NG5302","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan","<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate]","Acta Crystallographica Section E","2012","68","11","m1416","","10.1107/S1600536812043632","","","0.71073","MoKα","","0.0374","0.034","","","0.0905","0.092","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236522","9.6095","0.0011","13.7083","0.0016","13.3305","0.0016","90","","109.177","0.002","90","","1658.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabromidobis(dicyclohexylphosphane-κ<i>P</i>)digallium (<i>Ga</i>—<i>Ga</i>)","","- C24 H46 Br4 Ga2 P2 -","- C24 H46 Br4 Ga2 P2 -","- C48 H92 Br8 Ga4 P4 -","2","0.5","NK2174","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Tetrabromidobis(dicyclohexylphosphane-κ<i>P</i>)digallium(<i>Ga</i>—<i>Ga</i>)","Acta Crystallographica Section E","2012","68","10","m1245","","10.1107/S1600536812035982","","","0.71073","MoKα","","0.0394","0.034","","","0.0665","0.068","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236523","6.8187","0.0007","9.7877","0.0012","14.7423","0.0012","92.512","0.008","98.898","0.008","99.704","0.009","955.67","0.18","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Dicyclohexyl-3,5-dinitrobenzamide","","- C19 H25 N3 O5 -","- C19 H25 N3 O5 -","- C38 H50 N6 O10 -","2","1","NK2179","Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan","<i>N</i>,<i>N</i>-Dicyclohexyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","10","o2953","","10.1107/S1600536812038500","","","1.54184","CuKα","","0.0539","0.0446","","","0.1214","0.1318","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236524","17.9308","0.0005","7.1881","0.0002","19.8333","0.0006","90","","90","","90","","2556.28","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide","","- C11 H17 N O4 S -","- C11 H17 N O4 S -","- C88 H136 N8 O32 S8 -","8","1","NK2181","Mushtaq, Nafeesa; Khan, Islam Ullah; Yar, Muhammad; Afzal, Sadia; Simpson, Jim","<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","11","o3142","","10.1107/S1600536812041682","","","0.71073","MoKα","","0.0677","0.0502","","","0.1443","0.1611","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236525","9.0994","0.0001","9.8039","0.0001","18.1882","0.0002","90","","96.865","0.0004","90","","1610.93","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[2,6-Bis(1-methylethyl)phenyl]pyridine-4-carboxamide","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","1","NK2182","Laramée, Baptiste; Cibian, Mihaela; Hanan, Garry S.","<i>N</i>-[2,6-Bis(1-methylethyl)phenyl]pyridine-4-carboxamide","Acta Crystallographica Section E","2012","68","10","o2975","o2976","10.1107/S1600536812038846","","","1.54178","CuKα","","0.0375","0.0364","","","0.0957","0.0968","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236526","5.333","0.0002","10.9634","0.0005","11.25","0.0004","113.642","0.004","94.359","0.003","98.465","0.003","589.34","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","DL-tyrosinium chloride dihydrate","DL-tyrosinium chloride dihydrate","","- C9 H16 Cl N O5 -","- C9 H16 Cl N O5 -","- C18 H32 Cl2 N2 O10 -","2","1","NK2187","Guenifa, Fatiha; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","<small>DL</small>-Tyrosinium chloride dihydrate","Acta Crystallographica Section E","2012","68","11","o3227","o3228","10.1107/S1600536812043899","","","0.71073","MoKα","","0.0427","0.0316","","","0.0816","0.0844","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236527","5.198","0.0002","21.7123","0.001","13.0244","0.0006","90","","100.163","0.002","90","","1446.88","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Dicyclohexylparabanic acid","1,3-Dicyclohexylimidazolidine-2,4,5-trione","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","NK2188","Talhi, Oualid; Fernandes, José A.; Pinto, Diana C. G. A.; Silva, Artur M. S.; Almeida Paz, Filipe A.","1,3-Dicyclohexylimidazolidine-2,4,5-trione: a second polymorph","Acta Crystallographica Section E","2012","68","11","o3233","o3234","10.1107/S1600536812043619","","","0.71073","MoKα","","0.063","0.0427","","","0.0933","0.1042","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236528","15.175","0.0011","8.9097","0.0006","17.944","0.0014","90","","96.235","0.006","90","","2411.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{[Dimethyl(phenyl)silyl]methyl}-3-(2-phenylethyl)-1<i>H</i>-benzimidazol- 3-ium bromide monohydrate","","- C24 H29 Br N2 O Si -","- C24 H29 Br N2 O Si -","- C96 H116 Br4 N8 O4 Si4 -","4","1","NR2031","Akkurt, Mehmet; Küçükbay, Hasan; Şireci, Nihat; Büyükgüngör, Orhan","1-{[Dimethyl(phenyl)silyl]methyl}-3-(2-phenylethyl)-1<i>H</i>-benzimidazol-3-ium bromide monohydrate","Acta Crystallographica Section E","2012","68","9","o2718","o2719","10.1107/S1600536812034915","","","0.71073","MoKα","","0.1367","0.0693","","","0.1455","0.1728","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236529","6.6304","0.0005","7.7772","0.0005","16.7587","0.0009","77.655","0.003","87.969","0.002","85.734","0.003","841.69","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","[(<i>E</i>)-1-(Naphthalen-2-yl)ethylidene](naphthalen-1-ylmethyl)amine","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","NR2032","Bruno, Sofia M.; Fernandes, José A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","[(<i>E</i>)-1-(Naphthalen-2-yl)ethylidene](naphthalen-1-ylmethyl)amine","Acta Crystallographica Section E","2012","68","11","o3143","","10.1107/S1600536812041414","","","0.71073","MoKα","","0.074","0.0444","","","0.1053","0.1211","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236530","7.4821","0.0004","8.111","0.0002","8.179","0.0001","70.811","0.01","74.98","0.014","84.883","0.015","452.76","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","2,6-Diaminopyridinium dihydrogen phosphate","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C10 H20 N6 O8 P2 -","2","1","PK2425","Yu, Gang","2,6-Diaminopyridinium dihydrogen phosphate","Acta Crystallographica Section E","2012","68","9","o2751","","10.1107/S1600536812035489","","","0.71073","MoKα","","0.0353","0.0336","","","0.0885","0.0897","","","","","","1.173","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236531","12.16673","0.00018","15.5692","0.0002","12.624","0.0002","90","","104.672","0.0016","90","","2313.34","0.06","290","2","290","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[tris(1-methyl-1<i>H</i>-imidazol-2-yl- κ<i>N</i>^3^)methanol]manganese(I) trifluoromethanesulfonate","","- C17 H16 F3 Mn N6 O7 S -","- C17 H16 F3 Mn N6 O7 S -","- C68 H64 F12 Mn4 N24 O28 S4 -","4","1","PK2428","Reiss, Guido J.; Kunz, Peter C.","Tricarbonyl[tris(1-methyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)methanol]manganese(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","9","m1202","m1203","10.1107/S1600536812035891","","","0.71073","MoKα","","0.0467","0.0396","","","0.0794","0.084","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236532","9.265","0.0002","15.6882","0.0004","14.7891","0.0003","90","","90.941","0.002","90","","2149.32","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trimethylammonium dichloridotriphenylstannate(IV)","","- C21 H25 Cl2 N Sn -","- C21 H25 Cl2 N Sn -","- C84 H100 Cl8 N4 Sn4 -","4","1","PK2438","Diop, Tidiane; Diop, Libasse; Jasinski, Jerry P.; Keeley, Amanda C.","Trimethylammonium dichloridotriphenylstannate(IV)","Acta Crystallographica Section E","2012","68","10","m1279","","10.1107/S1600536812038457","","","1.5418","CuKα","","0.0346","0.0304","","","0.0788","0.0828","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236533","8.183","0.002","11.768","0.003","14.979","0.004","90","","98.37","0.01","90","","1427.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-(quinoline-2-carboxamido)pyridinium nitrate","","- C15 H13 N5 O4 -","- C15 H13 N5 O4 -","- C60 H52 N20 O16 -","4","1","PK2439","Van der Berg, Phillipus C. W.; Visser, Hendrik G.; Roodt, Andreas","2-Amino-6-(quinoline-2-carboxamido)pyridinium nitrate","Acta Crystallographica Section E","2012","68","9","o2808","","10.1107/S1600536812036562","","","0.71073","MoKα","","0.0395","0.0347","","","","0.1","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236534","20.613","0.002","10.5671","0.0009","15.0687","0.0012","90","","90","","90","","3282.3","0.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Tetrakis(dimethylammonium) <i>trans</i>-dichloridobis[5,5'-(pyrazine-2,3-diyl)bis(1<i>H</i>-tetrazol- 1-ido-κ<i>N</i>^1^)]copper(II)","","- C20 H36 Cl2 Cu N24 -","- C20 H36 Cl2 Cu N24 -","- C80 H144 Cl8 Cu4 N96 -","4","","PK2440","Liao, Ju-Hsiou; Shi, Pei-Shan","Tetrakis(dimethylammonium) <i>trans</i>-dichloridobis[5,5'-(pyrazine-2,3-diyl)bis(1<i>H</i>-tetrazol-1-ido-κ<i>N</i>^1^)]copper(II)","Acta Crystallographica Section E","2012","68","10","m1234","","10.1107/S1600536812036896","","","0.71073","MoKα","","0.0339","0.0302","","","0.0828","0.0851","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236535","9.5137","0.001","4.8991","0.0007","20.249","0.003","90","","94.165","0.01","90","","941.3","0.2","299","3","299","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dibromoindan-1-ol","","- C9 H8 Br2 O -","- C9 H8 Br2 O -","- C36 H32 Br8 O4 -","4","1","PK2441","Çelik, Ísmail; Akkurt, Mehmet; Yilmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan; García-Granda, Santiago","2,5-Dibromoindan-1-ol","Acta Crystallographica Section E","2012","68","9","o2795","o2796","10.1107/S1600536812035829","","","1.5418","CuKα","","0.1786","0.0816","","","0.1619","0.2278","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236536","8.1346","0.0003","23.2926","0.0008","10.1505","0.0003","90","","97.304","0.002","90","","1907.67","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","12-(4-Methoxybenzoyl)-2-methylbenzo[<i>f</i>]pyrido[1,2-<i>a</i>]indole- 6,11-dione","","- C25 H17 N O4 -","- C25 H17 N O4 -","- C100 H68 N4 O16 -","4","1","PK2443","Novina, J. Josephine; Vasuki, G.; Liu, Yun; Sun, Jin-Wei","12-(4-Methoxybenzoyl)-2-methylbenzo[<i>f</i>]pyrido[1,2-<i>a</i>]indole-6,11-dione","Acta Crystallographica Section E","2012","68","10","o3040","","10.1107/S1600536812040408","","","0.71073","MoKα","","0.0649","0.0434","","","0.108","0.1199","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236537","7.3264","0.0003","8.7103","0.0004","16.196","0.0007","90","","90","","90","","1033.55","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Chlorophenylamino)-pent-3-en-2-one","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C44 H48 Cl4 N4 O4 -","4","1","PK2444","Venter, Gertruida J.S.; Brink, Alice; Steyl, Gideon; Roodt, Andreas","4-(2-Chlorophenylamino)-pent-3-en-2-one","Acta Crystallographica Section E","2012","68","11","o3101","o3102","10.1107/S1600536812042043","","","0.71073","MoKα","","0.0261","0.0254","","","","0.0677","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236538","10.8595","0.001","11.0267","0.001","13.3031","0.0012","76.404","0.002","79.151","0.002","81.976","0.002","1513.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2-{[2-(diphenylphosphino)phenyl]thio}phenyl)diphenylphosphine sulfide","","- C36 H28 P2 S2 -","- C36 H28 P2 S2 -","- C72 H56 P4 S4 -","2","1","PK2445","Alvarez-Larena, Angel; Martinez-Cuevas, Francisco J.; Flor, Teresa; Real, Juli","(2-{[2-(diphenylphosphino)phenyl]thio}phenyl)diphenylphosphine sulfide","Acta Crystallographica Section E","2012","68","11","o3094","","10.1107/S1600536812041347","","","0.71073","MoKα","","0.1043","0.0594","","","0.1169","0.1354","","","","","","0.975","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236539","12.8518","0.001","7.9663","0.0009","13.681","0.0012","90","","103.672","0.005","90","","1361","0.2","90","0.5","90","0.5","101.3","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>E</i>,2<i>E</i>)-1,2-Bis[(1-benzyloxymethyl-1<i>H</i>-indol- 3-yl)methylidene]hydrazine","","- C34 H30 N4 O2 -","- C34 H30 N4 O2 -","- C68 H60 N8 O4 -","2","0.5","PK2449","Myers, Jacob A.; Fronczek, Frank R.; Watkins, Steven F.","(1<i>E</i>,2<i>E</i>)-1,2-Bis[(1-benzyloxymethyl-1<i>H</i>-indol-3-yl)methylidene]hydrazine","Acta Crystallographica Section E","2012","68","11","o3158","","10.1107/S1600536812042493","","","0.71073","MoKα","","","0.0556","","","","0.1261","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236540","12.6436","0.0003","20.9735","0.0004","14.8855","0.0003","90","","105.092","0.002","90","","3811.2","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-μ-sulfido-bis{[<i>rac</i>-1,2-bis(η^5^-4,5,6,7-tetrahydroinden-1- yl)ethane]zirconium(IV)} toluene monosolvate","","- C47 H56 S2 Zr2 -","- C47 H56 S2 Zr2 -","- C188 H224 S8 Zr8 -","4","1","PK2450","Haehnel, Martin; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","Di-μ-sulfido-bis{[<i>rac</i>-1,2-bis(η^5^-4,5,6,7-tetrahydroinden-1-yl)ethane]zirconium(IV)} toluene monosolvate","Acta Crystallographica Section E","2012","68","11","m1425","","10.1107/S1600536812044121","","","0.71073","MoKα","","0.0329","0.0272","","","0.0704","0.0717","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236541","7.4612","0.0003","10.8737","0.0005","14.8465","0.0009","90","","90","","90","","1204.51","0.1","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","PV2561","Akbal, Tufan; Ağar, Erbil; Erdönmez, Ahmet","(<i>Z</i>)-3-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","9","o2673","","10.1107/S1600536812033120","","","0.71073","MoKα","","0.0332","0.0301","","","0.0743","0.0756","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236542","13.6348","0.0017","5.8768","0.0007","15.869","0.002","90","","90","","90","","1271.6","0.3","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[(<i>E</i>)-(Naphthalen-2-yl)iminomethyl]phenol","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","PV2571","Sharif, Hafiz Muhammad Adeel; Alvi, Dildar Ahmed; Yousuf, S.","2-[(<i>E</i>)-(Naphthalen-2-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2629","","10.1107/S1600536812033843","","","0.71073","MoKα","","0.0641","0.0376","","","0.078","0.089","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236543","12.855","0.003","10.139","0.001","27.845","0.005","90","","100.23","0.02","90","","3571.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5a-Butyl-1,3,8,10-tetrachloro-7,13-bis(4-nitrobenzoyl)-5a,6a,12a,12b- tetrahydro-7<i>H</i>,13<i>H</i>-thieno[2,3-<i>b</i>:4,5- <i>b</i>']bis(1,4-benzoxazine)","","- C34 H24 Cl4 N4 O8 S -","- C34 H24 Cl4 N4 O8 S -","- C136 H96 Cl16 N16 O32 S4 -","4","1","PV2572","Tang, Kai; Kastner, Margaret E.","5a-Butyl-1,3,8,10-tetrachloro-7,13-bis(4-nitrobenzoyl)-5a,6a,12a,12b-tetrahydro-7<i>H</i>,13<i>H</i>-thieno[2,3-<i>b</i>:4,5-<i>b</i>']bis(1,4-benzoxazine)","Acta Crystallographica Section E","2012","68","9","o2647","o2648","10.1107/S1600536812034149","","","0.71073","MoKα","","0.0864","0.0454","","","0.1092","0.1231","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236544","14.191","0.002","5.0109","0.0008","22.535","0.004","90","","99.01","0.004","90","","1582.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3,4-Dimethoxybenzylidene)-4-methoxybenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","PV2573","Taha, Muhammad; Naz, Humera; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Sammer, Yousuf","(<i>E</i>)-<i>N</i>'-(3,4-Dimethoxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","9","o2780","","10.1107/S1600536812034228","","","0.71073","MoKα","","0.141","0.0563","","","0.0874","0.1153","","","","","","0.96","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236545","8.8402","0.0014","11.7653","0.0018","13.931","0.002","107.163","0.002","102.529","0.003","104.984","0.003","1268.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[(5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II)]-μ-oxido- [dioxidotungstate(VI)]-μ-oxido] tetrahydrate]","","- C16 H44 N4 Ni O8 W -","- C16 H44 N4 Ni O8 W -","- C32 H88 N8 Ni2 O16 W2 -","2","1","PV2574","Ou, Guang-Chuan; Yuan, Xian-You; Li, Zhi-Zhang","<i>catena</i>-Poly[[[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II)]-μ-oxido-[dioxidotungstate(VI)]-μ-oxido] tetrahydrate]","Acta Crystallographica Section E","2012","68","9","m1173","","10.1107/S1600536812034538","","","0.71073","MoKα","","0.0557","0.0382","","","0.0883","0.0961","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236546","9.1028","0.0003","9.9477","0.0002","18.5465","0.0005","90","","92.268","0.003","90","","1678.11","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2,4-Difluorobenzoyl)[bis(pyrrolidin-1-yl)phosphoryl]amine","Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl)amide","","- C15 H20 F2 N3 O2 P -","- C15 H20 F2 N3 O2 P -","- C60 H80 F8 N12 O8 P4 -","4","1","PV2575","Keikha, Mojtaba; Pourayoubi, Mehrdad; Jasinski, Jerry P.; Golen, James A.","Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl)amide","Acta Crystallographica Section E","2012","68","9","o2688","","10.1107/S1600536812034733","","","0.71073","MoKα","","0.045","0.0397","","","0.1033","0.1078","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236547","11.5164","0.0008","10.1427","0.0005","19.9054","0.0011","90","","90","","90","","2325.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-Trichloro-<i>N</i>-(3-nitrophenyl)acetamide","","- C8 H5 Cl3 N2 O3 -","- C8 H5 Cl3 N2 O3 -","- C64 H40 Cl24 N16 O24 -","8","1","PV2576","Prabhu, A. N.; Upadhyaya, V.; Girisha, K. S.; Naveena, C. S.; Guru Row, T. N.","2,2,2-Trichloro-<i>N</i>-(3-nitrophenyl)acetamide","Acta Crystallographica Section E","2012","68","10","o2832","","10.1107/S1600536812036732","","","0.71073","MoKα","","0.0754","0.0491","","","0.1321","0.1443","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236548","8.31","0.0017","17.018","0.003","7.316","0.0015","90","","90","","90","","1034.6","0.4","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2,3,6-Trichloro-5-(trichloromethyl)pyridine","","- C6 H Cl6 N -","- C6 H Cl6 N -","- C24 H4 Cl24 N4 -","4","0.5","PV2577","Zhu, Xue-mei; Pei, Li-jun; Cai, Zhao-sheng; Song, Zhan-qian; Shang, Shi-bin","2,3,6-Trichloro-5-(trichloromethyl)pyridine","Acta Crystallographica Section E","2012","68","9","o2723","","10.1107/S1600536812035404","","","0.71073","MoKα","","0.0558","0.0398","","","0.1107","0.1234","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236549","8.2772","0.0004","9.0572","0.0004","12.6868","0.0006","87.132","0.004","70.976","0.003","75.098","0.002","868.32","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-Bromo-1-methyl-4-[2-(4-nitrobenzylidene)hydrazin-1-ylidene]-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine","","- C16 H13 Br N4 O4 S -","- C16 H13 Br N4 O4 S -","- C32 H26 Br2 N8 O8 S2 -","2","1","PV2578","Shafiq, Muhammad; Harrison, William T. A.; Khan, Islam Ullah","6-Bromo-1-methyl-4-[2-(4-nitrobenzylidene)hydrazin-1-ylidene]-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine","Acta Crystallographica Section E","2012","68","9","o2717","","10.1107/S1600536812035374","","","0.71073","MoKα","","0.1013","0.0435","","","0.0878","0.1064","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236550","8.8547","0.0017","10.927","0.002","12.033","0.002","112.702","0.004","100.614","0.004","90.052","0.004","1052.3","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl methanesulfonate","","- C7 H11 N3 O5 S -","- C7 H11 N3 O5 S -","- C28 H44 N12 O20 S4 -","4","2","PV2579","Yousuf, Sammer; Zeb, Aurang; Batool, Farhana; Basha, Fatima Z.","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl methanesulfonate","Acta Crystallographica Section E","2012","68","9","o2781","","10.1107/S1600536812034964","","","0.71073","MoKα","","0.0695","0.0558","","","0.1404","0.1519","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236551","13.8627","0.0016","11.3622","0.0009","13.8957","0.0015","90","","108.885","0.013","90","","2070.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(2,6-DMPH)2.IBr2.Br","Bis(2,6-dimethylpyridinium) dibromoiodate bromide","","- C14 H20 Br3 I N2 -","- C14 H20 Br3 I N2 -","- C56 H80 Br12 I4 N8 -","4","0.5","PV2580","Al-Far, Rawhi; Ali, Basem F.; Haddad, Salim F.","Bis(2,6-dimethylpyridinium) dibromoiodate bromide","Acta Crystallographica Section E","2012","68","9","o2743","","10.1107/S1600536812035702","","","0.71073","MoKα","","0.0656","0.04","","","0.0897","0.1041","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236552","8.3648","0.0013","8.4233","0.0016","9.2321","0.0016","105.107","0.016","115.371","0.016","98.241","0.015","542.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(2-A-5-MepyrH).IBr2","2-Amino-5-methylpyridinium dibromoiodate","","- C6 H9 Br2 I N2 -","- C6 H9 Br2 I N2 -","- C12 H18 Br4 I2 N4 -","2","1","PV2581","Haddad, Salim F.; Ali, Basem F.; Al-Far, Rawhi","2-Amino-5-methylpyridinium dibromoiodate","Acta Crystallographica Section E","2012","68","9","o2786","","10.1107/S1600536812036136","","","0.71073","MoKα","","0.0626","0.0404","","","0.0829","0.0957","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236553","8.1215","0.0008","11.4853","0.0012","13.0407","0.0014","90","","97.206","0.002","90","","1206.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2-aminopyrimidin-1-ium) sulfate","","- C8 H12 N6 O4 S -","- C8 H12 N6 O4 S -","- C32 H48 N24 O16 S4 -","4","1","PV2583","Hu, Hui-Ling; Yeh, Chun-Wei","Bis(2-aminopyrimidin-1-ium) sulfate","Acta Crystallographica Section E","2012","68","10","o2925","","10.1107/S1600536812037725","","","0.71073","MoKα","","0.0412","0.0323","","","0.0878","0.0933","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236554","10.0861","0.0004","7.7954","0.0003","23.4088","0.001","90","","95","0.003","90","","1833.52","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5<i>H</i>- thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","PV2584","Nagarajaiah, H.; Begum, Noor Shahina","Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","10","o2878","","10.1107/S1600536812037828","","","0.71073","MoKα","","0.0606","0.043","","","0.1096","0.1181","","","","","","0.999","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236555","9.6771","0.0002","7.6364","0.0002","13.8156","0.0003","90","","100.221","0.002","90","","1004.75","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C40 H48 N8 S4 -","4","1","PV2585","Khan, Ashraf Y.; Fathima, Nikhath; Kalashetti, Mallikarjun B.; Begum, Noor Shahina; Khazi, I. M.","2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","Acta Crystallographica Section E","2012","68","10","o3025","","10.1107/S160053681204010X","","","0.71073","MoKα","","0.0476","0.0393","","","0.113","0.118","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236556","9.5439","0.0002","10.091","0.0002","13.1802","0.0003","104.4","0.0012","101.538","0.001","105.018","0.0011","1139.04","0.04","190","2","190","2","","","","","","","","6","P -1","-P 1","2","tianeptine hydrochloride","7-[(3-Chloro-6-methyl-6,11-dihydrodibenzo[<i>c</i>,<i>f</i>][1,2]thiazepin- 11-yl)amino]heptanoic acid <i>S</i>,<i>S</i>-dioxide hydrochloride","","- C21 H26 Cl2 N2 O4 S -","- C21 H26 Cl2 N2 O4 S -","- C42 H52 Cl4 N4 O8 S2 -","2","1","PV2586","Mishnev, Anatoly; Zvirgzdins, Alvis; Actins, Andris; Delina, Mara","7-[(3-Chloro-6-methyl-6,11-dihydrodibenzo[<i>c</i>,<i>f</i>][1,2]thiazepin-11-yl)amino]heptanoic acid <i>S</i>,<i>S</i>-dioxide hydrochloride","Acta Crystallographica Section E","2012","68","11","o3136","","10.1107/S1600536812042432","","","0.71073","MoKα","","0.0551","0.0401","","","0.0921","0.1002","","","","","","1.028","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2236557","11.9166","0.0002","9.0982","0.0001","12.8539","0.0001","90","","101.013","0.001","90","","1367.95","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diisopropylammonium hydrogen phenylphosphonate","","- C12 H22 N O3 P -","- C12 H22 N O3 P -","- C48 H88 N4 O12 P4 -","4","1","PV2589","Sarr, Modou; Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe","Diisopropylammonium hydrogen phenylphosphonate","Acta Crystallographica Section E","2012","68","11","o3078","","10.1107/S1600536812041086","","","0.71073","MoKα","","0.0328","0.0292","","","0.0779","0.08","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236558","11.4923","0.0009","9.8362","0.0008","12.7781","0.001","90","","103.87","0.005","90","","1402.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-4-nitrophenol‒4-dimethylaminopyridine (1/1)","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","PV2590","Muralidharan, Srinivasan; Nagapandiselvi, Perumal; Srinivasan, Thothadri; Gopalakrishnan, Rengasamy; Velmurugan, Devadasan","3-Methyl-4-nitrophenol‒4-dimethylaminopyridine (1/1)","Acta Crystallographica Section E","2012","68","11","o3106","","10.1107/S1600536812041670","","","0.71073","MoKα","","0.0776","0.0556","","","0.1595","0.1846","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236559","12.1626","0.0004","16.2747","0.0006","12.196","0.0004","90","","107.704","0.002","90","","2299.78","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4'-(4-Chlorophenyl)-3'-(4-methoxyphenyl)-3,4-dihydro-1<i>H</i>,4'<i>H</i>- spiro[acridine-2,5'-isoxazol]-1-one","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C112 H84 Cl4 N8 O12 -","4","1","PV2592","Narayanan, Ponmudisettu; Maheswari, Shanmugavel Uma; Sethusankar, Krishnan","4'-(4-Chlorophenyl)-3'-(4-methoxyphenyl)-3,4-dihydro-1<i>H</i>,4'<i>H</i>-spiro[acridine-2,5'-isoxazol]-1-one","Acta Crystallographica Section E","2012","68","11","o3177","","10.1107/S1600536812042523","","","0.71073","MoKα","","0.0516","0.0367","","","0.0955","0.1075","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236560","7.3627","0.0008","9.031","0.0008","9.1854","0.0009","101.741","0.008","110.778","0.01","96.321","0.008","547.89","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","(Collidinium)2 ZnBr4","Bis(2,4,6-trimethylpyridinium) tetrabromidozincate","","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","1","1","PV2593","Ali, Basem F.; Haddad, Salim F.; Al-Far, Rawhi","Bis(2,4,6-trimethylpyridinium) tetrabromidozincate","Acta Crystallographica Section E","2012","68","11","m1320","","10.1107/S1600536812040925","","","0.71073","MoKα","","0.0615","0.0536","","","0.1317","0.1402","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236561","12.4815","0.0004","4.7207","0.0001","15.478","0.0005","90","","103.468","0.003","90","","886.91","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(Benzotriazol-1-yl)-2-bromoethanone","","- C8 H6 Br N3 O -","- C8 H6 Br N3 O -","- C32 H24 Br4 N12 O4 -","4","1","PV2595","Asiri, Abdullah M.; Abo-Dya, Nader E.; Arshad, Muhammad Nadeem; Shafiq, Muhammad","1-(Benzotriazol-1-yl)-2-bromoethanone","Acta Crystallographica Section E","2012","68","11","o3179","","10.1107/S1600536812042900","","","1.54184","CuKα","","0.053","0.0443","","","0.1294","0.1406","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236562","10.5075","0.0004","12.6951","0.0004","15.1551","0.0007","90","","102.821","0.003","90","","1971.19","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromidobis[3-(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)propionamide- κ<i>O</i>]copper(II) bromide methanol monosolvate","","- C13 H22 Br2 Cu N6 O3 -","- C13 H22 Br2 Cu N6 O3 -","- C52 H88 Br8 Cu4 N24 O12 -","4","1","QK2039","Wagner, Thomas; Hrib, Cristian G.; Lorenz, Volker; Edelmann, Frank T.; Gilje, John W.","Bromidobis[3-(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)propionamide-κ<i>O</i>]copper(II) bromide methanol monosolvate","Acta Crystallographica Section E","2012","68","10","m1253","m1254","10.1107/S1600536812038111","","","0.71073","MoKα","","0.0494","0.0411","","","0.0765","0.079","","","","","","1.208","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236563","7.3012","0.0002","12.9843","0.0003","18.4254","0.0004","95.051","0.002","96.284","0.002","92.338","0.002","1727.26","0.07","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","(±)-(4b<i>S</i>,8a<i>R</i>,10a<i>S</i>)-10a-Ethynyl-4b,8,8-trimethyl-3,7- dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2,6-dicarbonitrile","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","2","QK2041","Zheng, Suqing; Resch, Daniel; Honda, Tadashi; Jasinski, Jerry P.","(±)-(4b<i>S</i>,8a<i>R</i>,10a<i>S</i>)-10a-Ethynyl-4b,8,8-trimethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2,6-dicarbonitrile","Acta Crystallographica Section E","2012","68","11","o3095","o3096","10.1107/S1600536812041244","","","1.54178","CuKα","","0.0634","0.0498","","","0.1291","0.1403","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236564","6.8697","0.0005","3.9809","0.0002","20.5002","0.0011","90","","93.813","0.002","90","","559.39","0.06","223","","223","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,6-Dibromophenanthrene","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C28 H16 Br4 -","2","1","QK2043","Yokota, Ruri; Kitamura, Chitoshi; Kawase, Takeshi","3,6-Dibromophenanthrene","Acta Crystallographica Section E","2012","68","11","o3100","","10.1107/S1600536812041621","","","0.71073","MoKα","","0.0216","0.0181","","","0.0353","0.0368","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236565","7.786","0.005","7.511","0.005","23.365","0.005","90","","95.362","0.005","90","","1360.4","1.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[2-(4-Methylbenzoyl)ethyl]propan-2-aminium chloride","","- C13 H20 Cl N O -","- C13 H20 Cl N O -","- C52 H80 Cl4 N4 O4 -","4","1","QM2078","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Mete, Ebru; Sahin, Ertan","<i>N</i>-[2-(4-Methylbenzoyl)ethyl]propan-2-aminium chloride","Acta Crystallographica Section E","2012","68","9","o2706","o2707","10.1107/S1600536812035271","","","0.71073","MoKα","","0.0696","0.0485","","","0.1331","0.1506","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236566","8.036","0.005","8.656","0.005","18.403","0.005","90","","97.174","0.005","90","","1270.1","1.1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Benzoylethyl)propan-2-aminium chloride","","- C12 H18 Cl N O -","- C12 H18 Cl N O -","- C48 H72 Cl4 N4 O4 -","4","1","QM2079","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Mete, Ebru; Sahin, Ertan","<i>N</i>-(2-Benzoylethyl)propan-2-aminium chloride","Acta Crystallographica Section E","2012","68","9","o2702","o2703","10.1107/S1600536812035106","","","0.71073","MoKα","","0.139","0.0745","","","0.1871","0.2243","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236567","7.239","0.003","11.185","0.003","9.786","0.004","90","","124.27","0.02","90","","654.8","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ-aqua-aqua-μ~6~-(1,1-dioxo-1λ^6^,2,5-thiadiazolidine-3,4-diolato)- dilithium]","","- C2 H4 Li2 N2 O6 S -","- C2 H4 Li2 N2 O6 S -","- C8 H16 Li8 N8 O24 S4 -","4","1","QM2080","McOwen, Dennis W.; Delp, Samuel A.; Boyle, Paul D.; Henderson, Wesley A.","Dilithium 1,2,5-thiadiazolidine-3,4-dione 1,1-dioxide dihydrate","Acta Crystallographica Section E","2012","68","9","m1228","","10.1107/S1600536812036379","","","0.71073","MoKα","","0.0252","0.0222","","","0.0637","0.0653","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236568","9.324","0.001","9.454","0.0011","11.384","0.0013","109.56","0.002","104.089","0.001","105.627","0.001","846.86","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine‒3,3'-disulfanediylbis(1<i>H</i>-1,2,4-triazole-5-amine) (1/1)","","- C14 H14 N10 S2 -","- C14 H14 N10 S2 -","- C28 H28 N20 S4 -","2","1","QM2081","Yang, Wei; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin","4,4'-Bipyridine‒3,3'-disulfanediylbis(1<i>H</i>-1,2,4-triazole-5-amine) (1/1)","Acta Crystallographica Section E","2012","68","11","o3194","","10.1107/S1600536812042742","","","0.71073","MoKα","","0.0656","0.0427","","","0.0916","0.1059","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236569","8.4556","0.0012","8.4556","0.0012","46.991","0.009","90","","90","","90","","3359.7","0.9","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1- phenylene)]bis(methanylylidene)}dimalononitrile","","- C44 H30 N4 O2 -","- C44 H30 N4 O2 -","- C176 H120 N16 O8 -","4","0.5","QM2082","Chen, Shikun","2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1-phenylene)]bis(methanylylidene)}dimalononitrile","Acta Crystallographica Section E","2012","68","10","o2852","","10.1107/S1600536812037282","","","0.71073","MoKα","","0.0464","0.0433","","","0.093","0.0948","","","","","","1.154","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236570","10.055","0.003","9.601","0.002","21.946","0.005","90","","91.96","0.004","90","","2117.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Fluorobenzoyl)-1-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-1-ium trifluoroacetate","","- C21 H20 F4 N2 O5 -","- C21 H20 F4 N2 O5 -","- C84 H80 F16 N8 O20 -","4","1","QM2083","Bian, Fuyong; Jin, Yi; Chi, Shaoming; Shi, Guojun; Xu, Sichuan","4-(2-Fluorobenzoyl)-1-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-1-ium trifluoroacetate","Acta Crystallographica Section E","2012","68","11","o3243","","10.1107/S1600536812042857","","","0.71073","MoKα","","0.1508","0.0725","","","0.1798","0.2402","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236571","22.084","0.004","8.0773","0.0016","10.814","0.002","90","","94.08","0.03","90","","1924.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[tetraaqua-μ-aqua-bis(μ~4~-pyrimidine-2-\ carboxylato)tetralithium] dichloride]","","- C10 H16 Cl2 Li4 N4 O9 -","- C10 H16 Cl2 Li4 N4 O9 -","- C40 H64 Cl8 Li16 N16 O36 -","4","0.5","QM2084","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[tetraaqua-μ-aqua-bis(μ~4~-pyrimidine-2-carboxylato)tetralithium] dichloride]","Acta Crystallographica Section E","2012","68","11","m1369","m1370","10.1107/S1600536812041955","","","0.71073","MoKα","","0.0873","0.0435","","","0.1254","0.1467","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236572","11.3029","0.0007","9.3142","0.0005","9.9983","0.0006","90","","99.82","0.006","90","","1037.17","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxybenzamidinium chloride monohydrate","","- C8 H13 Cl N2 O2 -","- C8 H13 Cl N2 O2 -","- C32 H52 Cl4 N8 O8 -","4","1","QM2085","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium chloride monohydrate","Acta Crystallographica Section E","2012","68","11","o3083","","10.1107/S1600536812041219","","","0.71069","MoKα","","0.0771","0.0429","","","0.1029","0.1134","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236573","27.8848","0.0007","6.2415","0.0002","12.8212","0.0003","90","","107.351","0.001","90","","2129.9","0.1","193","2","193","2","","","","","","","","3","C 1 2 1","C 2y","5","Salvinorin B methoxymethyl ether","Methyl (2<i>S</i>,4a<i>R</i>,6a<i>R</i>,7<i>R</i>,9<i>S</i>,10a<i>S</i>,10b<i>R</i>)- 2-(3-furyl)-9-methoxymethoxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a- octahydro-1<i>H</i>-benzo[<i>f</i>]isochromene-7-carboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","QM2086","Munro, Thomas A.; Ho, Douglas M.; Cohen, Bruce M.","Salvinorin B methoxymethyl ether","Acta Crystallographica Section E","2012","68","11","o3225","o3226","10.1107/S1600536812043449","","","0.71073","MoKα","","0.0496","0.04","","","0.1024","0.1081","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236574","7.3588","0.0008","11.8463","0.0013","11.9942","0.0013","90","","99.184","0.001","90","","1032.19","0.19","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[hexaaqua(μ~3~-2,2'-bipyridine-4,4',6,6'-tetracarboxylato- κ^6^<i>O</i>^4^:<i>N</i>,<i>O</i>^6^,<i>O</i>^6'^,<i>N</i>':<i>O</i>^4'^) dinickel(II)] dihydrate]","","- C14 H20 N2 Ni2 O16 -","- C14 H20 N2 Ni2 O16 -","- C28 H40 N4 Ni4 O32 -","2","0.5","RK2355","Li, Jie; Lei, Ke-Wei; Xia, Dong-Guo","Poly[[hexaaqua(μ~3~-2,2'-bipyridine-4,4',6,6'-tetracarboxylato-κ^6^<i>O</i>^4^:<i>N</i>,<i>O</i>^6^,<i>O</i>^6'^,<i>N</i>':<i>O</i>^4'^)dinickel(II)] dihydrate]","Acta Crystallographica Section E","2012","68","11","m1421","","10.1107/S1600536812043942","","","0.71073","MoKα","","0.0242","0.023","","","0.0608","0.0615","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236575","14.5872","0.0006","6.9193","0.0003","8.6129","0.0004","90","","100.086","0.004","90","","855.89","0.07","268","","268","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 F4 N O3 -","- C8 H3 F4 N O3 -","- C32 H12 F16 N4 O12 -","4","1","RK2367","Lu, Tao; Liao, Xiao-Jian; Liang, Yuan-Wei; Xu, Shi-Hai","2-Carbamoyl-3,4,5,6-tetrafluorobenzoic acid","Acta Crystallographica Section E","2012","68","10","o2864","","10.1107/S1600536812036549","","","1.5418","CuKα","","0.0373","0.035","","","0.0901","0.0913","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236576","15.721","0.004","12.617","0.004","14.728","0.003","90","","99.13","0.03","90","","2884.3","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloridobis{1-[(2-methylbenzimidazol-1-yl- κ<i>N</i>^3^)methyl]benzotriazole}zinc","","- C30 H26 Cl2 N10 Zn -","- C30 H26 Cl2 N10 Zn -","- C120 H104 Cl8 N40 Zn4 -","4","0.5","RK2368","Song, Lianqing; Zhao, Meihong; Cui, Guoshi; Gao, Jianghua; Lin, Lin","Dichloridobis{1-[(2-methylbenzimidazol-1-yl-κ<i>N</i>^3^)methyl]benzotriazole}zinc","Acta Crystallographica Section E","2012","68","9","m1179","","10.1107/S160053681203526X","","","0.71073","MoKα","","0.0608","0.0504","","","0.1293","0.1373","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236577","8.4158","0.0007","16.1889","0.0013","21.7213","0.0018","90","","90","","90","","2959.4","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-{[2,2-Bis(diethylamino)ethan-2-yliumthioyl]sulfanyl}-1,1- bis(diethylamino)ethylium bis(perchlorate)","","- C20 H42 Cl2 N4 O8 S2 -","- C20 H42 Cl2 N4 O8 S2 -","- C80 H168 Cl8 N16 O32 S8 -","4","1","RK2371","Ohno, Keiji; Sugaya, Tomoaki; Fujihara, Takashi; Nagasawa, Akira","2-{[2,2-Bis(diethylamino)ethan-2-yliumthioyl]sulfanyl}-1,1-bis(diethylamino)ethylium bis(perchlorate)","Acta Crystallographica Section E","2012","68","9","o2753","o2754","10.1107/S1600536812035453","","","0.71073","MoKα","","0.0723","0.0551","","","0.1298","0.1398","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236578","3.8422","0.0003","8.5166","0.0007","21.6507","0.0018","97.074","0.001","91.991","0.001","97.068","0.001","696.83","0.1","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2-hydroxybenzonitrile","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C28 H16 Br4 N4 O4 -","4","2","RK2372","Oh, Scott; Tanski, Joseph M.","5-Bromo-2-hydroxybenzonitrile","Acta Crystallographica Section E","2012","68","9","o2617","","10.1107/S1600536812031716","","","0.71073","MoKα","","0.0618","0.0425","","","0.0931","0.1","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236579","4.993","0.0004","4.993","0.0004","16.445","0.002","90","","90","","90","","409.97","0.07","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","4-Cyanoanilinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C14 H14 I2 N4 -","2","0.125","RK2373","Mague, Joel T.; Vumbaco, David J.; Kammer, Michael N.; Koplitz, Lynn V.","4-Cyanoanilinium iodide","Acta Crystallographica Section E","2012","68","9","o2623","","10.1107/S1600536812033466","","","0.71073","MoKα","","0.0115","0.0115","","","0.0292","0.0292","","","","","","1.143","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2236580","7.2313","0.0001","16.2545","0.0001","20.2466","0.0002","90","","90","","90","","2379.81","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-(2‒bromobenzyl)cinchoninium bromide","1-(2-Bromobenzyl)-5-ethenyl-2-[hydroxy(quinolin-4-yl)methyl]- 1-azabicyclo[2.2.2]octan-1-ium bromide","","- C26 H28 Br2 N2 O -","- C26 H28 Br2 N2 O -","- C104 H112 Br8 N8 O4 -","4","1","RK2374","Skórska-Stania, Agnieszka; Jezierska-Zieba, Magdalena; Kakol, Barbara; Fedoryński, Michał; Oleksyn, Barbara J.","<i>N</i>-(2-Bromobenzyl)cinchoninium bromide","Acta Crystallographica Section E","2012","68","9","o2803","o2804","10.1107/S160053681203646X","","","0.71073","MoKα","","0.0407","0.0335","","","","0.071","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236581","6.4737","0.0004","6.4737","0.0004","62.438","0.008","90","","90","","90","","2616.7","0.4","133","2","133","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","6,8-Dihydroxy-8a-methyl-3,5- dimethylidenedecahydronaphtho[2,3-<i>b</i>]furan-2(3<i>H</i>)-one","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","RK2376","Liu, Ting-ting; Wu, Hai-Bo; Wang, Wen-Shu","6,8-Dihydroxy-8a-methyl-3,5-dimethylidenedecahydronaphtho[2,3-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3251","","10.1107/S160053681204425X","","","0.71073","MoKα","","0.0537","0.047","","","0.1197","0.1242","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236582","8.2787","0.0005","11.2017","0.0007","14.6435","0.0008","90","","91.116","0.005","90","","1357.71","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Methylphenyl)-2-nitrobenzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","RK2377","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2745","","10.1107/S1600536812035866","","","0.71073","MoKα","","0.0471","0.0383","","","0.1019","0.1083","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236583","8.2236","0.0014","11.3306","0.0019","11.913","0.002","95.984","0.003","93.202","0.003","109.274","0.003","1037.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>-[1-(1<i>H</i>-Pyrrol-2-yl)ethylidene]aniline","","- C12 H12 N2 -","- C12 H12 N2 -","- C48 H48 N8 -","4","2","RK2378","Su, Bi-Yun; Li, Lei; Wang, Jia-Xiang; Li, Xuan-Yan","<i>N</i>-[1-(1<i>H</i>-Pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section E","2012","68","10","o2888","","10.1107/S1600536812037695","","","0.71073","MoKα","","0.0701","0.0482","","","0.126","0.1416","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236584","14.6498","0.0009","10.3976","0.0008","6.9067","0.0005","90","","100.089","0.003","90","","1035.78","0.13","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Carboxypyridinium maleate","","- C10 H9 N O6 -","- C10 H9 N O6 -","- C40 H36 N4 O24 -","4","1","RK2380","Pandi, P.; Peramaiyan, G.; Akilan, R.; Chakkaravarthi, G.; Mohankumar, R.","2-Carboxypyridinium maleate","Acta Crystallographica Section E","2012","68","11","o3081","","10.1107/S1600536812041177","","","0.71073","MoKα","","0.0818","0.071","","","0.1922","0.1993","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236585","7.7141","0.0002","8.1619","0.0002","13.4046","0.0004","74.277","0.002","86.41","0.002","89.044","0.002","810.8","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7-Bromo-1-(3-fluorophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan","","- C19 H12 Br F O3 S -","- C19 H12 Br F O3 S -","- C38 H24 Br2 F2 O6 S2 -","2","1","RK2381","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","7-Bromo-1-(3-fluorophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2012","68","10","o3047","","10.1107/S1600536812040470","","","0.71073","MoKα","","0.0371","0.0297","","","0.0716","0.0748","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236586","7.9389","0.0002","13.146","0.0004","22.7952","0.0007","90","","90","","90","","2379.02","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7<i>H</i>-[1,2]Benzothiazolo[3,2-<i>b</i>]quinazoline 5,5-dioxide","","- C14 H10 N2 O2 S -","- C14 H10 N2 O2 S -","- C112 H80 N16 O16 S8 -","8","1","RK2382","Narayanan, Ponmudisettu; Karthikeyan, Subramani; Srinivasan, Panayancheri Coleppa; Sethusankar, Krishnan","7<i>H</i>-[1,2]Benzothiazolo[3,2-<i>b</i>]quinazoline 5,5-dioxide","Acta Crystallographica Section E","2012","68","11","o3082","","10.1107/S1600536812040871","","","0.71073","MoKα","","0.0408","0.0336","","","0.1111","0.1216","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236587","27.645","0.006","8.1613","0.0015","16.741","0.003","90","","116.037","0.005","90","","3393.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Methyl-1,2,3,4,5,6,1',2',3',4'-decahydrospiro[benz[<i>f</i>]isoquinoline- 1,2'-naphthalen]-1'-one","","- C23 H23 N O -","- C23 H23 N O -","- C184 H184 N8 O8 -","8","1","RK2383","Siaka, Sohro; Soldatenkov, Anatoly T.; Malkova, Anastasia V.; Sorokina, Elena A.; Khrustalev, Victor N.","3-Methyl-1,2,3,4,5,6,1',2',3',4'-decahydrospiro[benz[<i>f</i>]isoquinoline-1,2'-naphthalen]-1'-one","Acta Crystallographica Section E","2012","68","11","o3230","","10.1107/S1600536812043309","","","0.71073","MoKα","","0.0656","0.0451","","","0.109","0.1218","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236588","10.881","0.005","10.948","0.004","12.496","0.005","103.824","0.007","109.725","0.007","93.377","0.007","1344.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-Anilino-3-benzylsulfanyl-6-(3-chloroanilino)-1-phenyl-1<i>H</i>- pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","","- C30 H23 Cl N6 O S -","- C30 H23 Cl N6 O S -","- C60 H46 Cl2 N12 O2 S2 -","2","1","RN2104","Wang, Hong-Qing; He, Fang-Fang; Wang, Xiao-Feng; Zhou, Wei-Ping; Liu, Zhao-Jie","5-Anilino-3-benzylsulfanyl-6-(3-chloroanilino)-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","10","o2895","","10.1107/S1600536812037683","","","0.71073","MoKα","","0.0886","0.0461","","","0.0976","0.1144","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236589","18.493","0.004","13.815","0.003","5.06","0.001","90","","90","","90","","1292.7","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-<i>N</i>-[1-(4-chlorophenyl)-3-cyano-1<i>H</i>-pyrazol-5-yl]acetamide","","- C12 H8 Cl2 N4 O -","- C12 H8 Cl2 N4 O -","- C48 H32 Cl8 N16 O4 -","4","1","RN2106","Mu, Hai-ping; Yang, Yang; Jiang, Qiang-hua; Fu, Xiao-dong; Wan, Rong","2-Chloro-<i>N</i>-[1-(4-chlorophenyl)-3-cyano-1<i>H</i>-pyrazol-5-yl]acetamide","Acta Crystallographica Section E","2012","68","11","o3249","","10.1107/S1600536812043966","","","0.71073","MoKα","","0.0461","0.0371","","","0.0938","0.0991","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236590","9.951","0.002","13.197","0.003","13.7","0.003","73.03","0.03","75.27","0.03","73.39","0.03","1620.1","0.7","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Ni(II)(Di-iBu-Por)","[5,15-Bis(2-methylpropylporphyrinato]nickel(II)","","- C28 H28 N4 Ni -","- C28 H28 N4 Ni -","- C84 H84 N12 Ni3 -","3","1.5","RN2107","Senge, Mathias O.","[5,15-Bis(2-methylpropyl)porphyrinato]nickel(II)","Acta Crystallographica Section E","2012","68","9","m1191","m1192","10.1107/S1600536812035726","","","0.71073","MoKα","","0.0464","0.0331","","","0.0887","0.096","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236591","8.8056","0.0002","15.0259","0.0003","14.7516","0.0003","90","","95.442","0.0017","90","","1943.02","0.07","120","0.14","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)ethane-1,2-diamine- κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^,<i>N</i>^2'^]bis{[<i>N</i>,<i>N</i>'- bis(2-aminoethyl)ethane-1,2-diamine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cadmium} tetrakis(perchlorate)","","- C18 H54 Cd2 Cl4 N12 O16 -","- C18 H54 Cd2 Cl4 N12 O16 -","- C36 H108 Cd4 Cl8 N24 O32 -","2","0.5","RU2040","Goudarziafshar, Hamid; Abbasityula, Yunes; Eigner, Václav; Dušek, Michal","[μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)ethane-1,2-diamine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^,<i>N</i>^2'^]bis{[<i>N</i>,<i>N</i>'-bis(2-aminoethyl)ethane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cadmium} tetrakis(perchlorate)","Acta Crystallographica Section E","2012","68","9","m1153","m1154","10.1107/S1600536812033880","","","0.7107","MoKα","","0.035","0.0301","","","0.1027","0.1057","","","","","","2.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236592","8.9263","0.0008","3.4673","0.0003","13.2596","0.0015","90","","90","","90","","410.39","0.07","290","1","290","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Titanium(II) thiogermanate(IV)","","- Ge S3 Ti -","- Ge S3 Ti -","- Ge4 S12 Ti4 -","4","0.5","RU2041","Kim, Pilsoo; Yun, Hoseop","TiGeS~3~","Acta Crystallographica Section E","2012","68","10","i72","","10.1107/S1600536812037087","","","0.71073","MoKα","","0.0332","0.0322","","","","0.0762","","","","","","1.163","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236593","12.0347","0.0016","14.0597","0.0018","14.3547","0.0018","113.199","0.003","91.182","0.003","113.336","0.003","2004.4","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato- κ^2^<i>O</i>:<i>O</i>')bis[aqua(4,4''-difluoro-1,1':3',1''-terphenyl- 2'-carboxylato-κ<i>O</i>)(pyridine-κ<i>N</i>)cobalt(II)] diethyl ether disolvate","","- C94 H78 Co2 F8 N2 O12 -","- C94 H78 Co2 F8 N2 O12 -","- C94 H78 Co2 F8 N2 O12 -","1","0.5","RU2042","Kim, Namseok; Yoon, Yeahsel; Lee, Ha-Jin; Yoon, Sungho","Bis(μ-4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)(pyridine-κ<i>N</i>)cobalt(II)] diethyl ether disolvate","Acta Crystallographica Section E","2012","68","10","m1264","m1265","10.1107/S1600536812038391","","","0.71073","MoKα","","0.1592","0.0709","","","0.1529","0.2387","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236594","12.9417","0.0002","11.1054","0.0002","9.3981","0.0004","90","","92.566","0.001","90","","1349.37","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Ammonioethyl)piperazin-1,4-diium dihydrogenophosphate monohydrogenophosphate","","- C6 H21 N3 O8 P2 -","- C6 H21 N3 O8 P2 -","- C24 H84 N12 O32 P8 -","4","1","RU2043","Mrad, Mohamed Lahbib; Ferretti, Valeria; Rzaigui, Mohamed; Ben Nasr, Cherif","1-(2-Ammonioethyl)piperazin-1,4-diium dihydrogenophosphate monohydrogenophosphate","Acta Crystallographica Section E","2012","68","11","o3120","","10.1107/S160053681204189X","","","0.71073","MoKα","","0.0421","0.0377","","","0.0975","0.1014","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236595","9.1115","0.0001","12.4407","0.0002","13.4945","0.0002","62.945","0.001","85.382","0.001","89.339","0.001","1357.29","0.04","100","2","100","","","","","","","","","4","P -1","-P 1","2","","5-Amino-3-ethoxy-1,8,8-trimethyl-2-azabicyclo[2.2.2]octa-2,5-diene-4,6-dicarbonitrile","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C56 H72 N16 O4 -","4","2","RZ2787","Chantrapromma, Suchada; Suwunwong, Thitipone; Ruanwas, Pumsak; Boonnak, Nawong; Fun, Hoong-Kun","5-Amino-3-ethoxy-1,8,8-trimethyl-2-azabicyclo[2.2.2]octa-2,5-diene-4,6-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2606","o2607","10.1107/S1600536812032990","","","0.71073","MoKα","","0.0627","0.0474","","","0.101","0.1088","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236596","15.2433","0.0005","18.3109","0.0006","14.7468","0.0005","90","","95.708","0.006","90","","4095.7","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-(9<i>H</i>-Fluoren-9-yl)-1,3-diphenylpropan-1-one","","- C28 H22 O -","- C28 H22 O -","- C224 H176 O8 -","8","1","RZ2788","Feng, Fu; Cui, Zhi-cai; Liu, Xin-ping; Hu, Wei-Bing","3-(9<i>H</i>-Fluoren-9-yl)-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2012","68","10","o2858","","10.1107/S1600536812032497","","","0.71073","MoKα","","0.0928","0.0755","","","0.1541","0.1621","","","","","","1.217","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236597","12.4106","0.0006","12.4974","0.0007","21.4941","0.0011","90","","97.319","0.003","90","","3306.6","0.3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5,7,8',11-Pentamethoxy-13<i>H</i>-spiro[dibenzo[<i>a</i>,<i>g</i>]fluorene- 13,1'(4'<i>H</i>)-naphthalen]-4'-one toluene monosolvate","","- C42 H36 O6 -","- C42 H36 O6 -","- C168 H144 O24 -","4","1","RZ2797","Takeuchi, Ryo; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki","1,5,7,8',11-Pentamethoxy-13<i>H</i>-spiro[dibenzo[<i>a</i>,<i>g</i>]fluorene-13,1'(4'<i>H</i>)-naphthalen]-4'-one toluene monosolvate","Acta Crystallographica Section E","2012","68","10","o2919","","10.1107/S160053681203824X","","","1.54187","CuKα","","0.0731","0.0426","","","0.108","0.1243","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236598","6.6945","0.0007","7.1079","0.0007","10.3032","0.0011","71.593","0.002","84.962","0.002","69.843","0.002","436.57","0.08","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","6-Methyl-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C11 H8 O3 -","- C11 H8 O3 -","- C22 H16 O6 -","2","1","RZ2798","Yousuf, Sammer; Mukhtar, Asma; Ambreen, Nida; Saad, Syed Muhammad; Khan, Khalid M.","6-Methyl-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2012","68","10","o2920","","10.1107/S1600536812037555","","","0.71073","MoKα","","0.0607","0.0492","","","0.1376","0.1523","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236599","8.1238","0.0004","12.7963","0.0007","15.9191","0.0011","105.59","0.005","101.16","0.005","97.535","0.004","1534.19","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(1,3-Dioxoisoindolin-2-yl)acetic acid‒<i>N</i>'-[(<i>E</i>)-4- methoxybenzylidene]pyridine-4-carbohydrazide (2/1)","","- C34 H27 N5 O10 -","- C34 H27 N5 O10 -","- C68 H54 N10 O20 -","2","1","RZ2799","Novaković, Sladjana B.; Bogdanović, Goran A.; Mohamed, Shaaban K.; Albayati, Mustafa R.; Hameed, Ayad S.","2-(1,3-Dioxoisoindolin-2-yl)acetic acid‒<i>N</i>'-[(<i>E</i>)-4-methoxybenzylidene]pyridine-4-carbohydrazide (2/1)","Acta Crystallographica Section E","2012","68","10","o2897","o2898","10.1107/S1600536812038032","","","1.54184","CuKα","","0.049","0.0402","","","0.1073","0.1155","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236600","8.1917","0.0007","11.6406","0.0007","13.4445","0.0008","103.006","0.005","104.387","0.006","96.426","0.006","1190.67","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(2<i>E</i>)-2-(2-Hydroxybenzylidene)hydrazin-1-yl]benzonitrile","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","2","RZ2800","Mohamed, Shaaban K.; Bogdanović, Goran A.; Abdelhamid, Antar A.; Novaković, Sladjana B.; Potgeiter, Herman","4-[(2<i>E</i>)-2-(2-Hydroxybenzylidene)hydrazin-1-yl]benzonitrile","Acta Crystallographica Section E","2012","68","10","o2886","o2887","10.1107/S1600536812037841","","","1.5418","CuKα","","0.0507","0.041","","","0.1136","0.1211","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236601","6.5138","0.0016","10.155","0.002","19.264","0.005","75.361","0.006","85.872","0.007","83.013","0.006","1222.6","0.5","100","1","100","","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-(3-Hydroxyphenyl)-3-[4-(tetradecyloxy)phenyl]prop-2-en-1-one","","- C29 H40 O3 -","- C29 H40 O3 -","- C58 H80 O6 -","2","1","RZ5001","Fadzillah, Siti Muhaini Haris; Ngaini, Zainab; Hussain, Hasnain; Razak, Ibrahim Abdul; Asik, Safra Izuani Jama","(<i>E</i>)-1-(3-Hydroxyphenyl)-3-[4-(tetradecyloxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2911","o2912","10.1107/S1600536812038020","","","0.71073","MoKα","","0.0714","0.0458","","","0.1257","0.1469","","","","","","0.947","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236602","7.4877","0.0004","27.2166","0.0015","6.1902","0.0003","90","","90","","90","","1261.5","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-(5-Chloro-1,3-benzothiazol-2-yl)-4-methoxyphenol","","- C14 H10 Cl N O2 S -","- C14 H10 Cl N O2 S -","- C56 H40 Cl4 N4 O8 S4 -","4","1","RZ5002","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil","2-(5-Chloro-1,3-benzothiazol-2-yl)-4-methoxyphenol","Acta Crystallographica Section E","2012","68","10","o2877","","10.1107/S1600536812037804","","","0.71073","MoKα","","0.0275","0.026","","","0.0678","0.069","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236603","8.9671","0.0006","10.5859","0.0007","14.7767","0.001","89.8","0.001","87.348","0.001","77.3","0.001","1366.86","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-phenylquinoline-4-carboxylato- κ^2^<i>O</i>:<i>O</i>')bis[(methanol-κ<i>O</i>)copper(II)]","","- C66 H48 Cu2 N4 O10 -","- C66 H48 Cu2 N4 O10 -","- C66 H48 Cu2 N4 O10 -","1","0.5","RZ5004","Guo, Junfang; Yan, Guoping","Tetrakis(μ-2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(methanol-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2012","68","10","m1296","","10.1107/S1600536812039839","","","0.71069","MoKα","","0.0366","0.0334","","","0.0858","0.0881","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236604","4.0656","0.0006","7.7855","0.0011","12.242","0.0017","96.263","0.003","91.38","0.003","97.228","0.003","381.84","0.09","273","2","273","2","","","","","","","","6","P 1","P 1","1","","5-Chloro-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole","","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","1","1","RZ5005","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil","5-Chloro-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","10","o3057","","10.1107/S1600536812039372","","","0.71073","MoKα","","0.0369","0.034","","","0.0773","0.0797","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236605","7.671","0.004","13.174","0.007","13.807","0.007","90","","102.68","0.007","90","","1361.3","1.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,4-dimethylpyrido[1,2-<i>a</i>]benzimidazole-3-carboxylate","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","RZ5006","Zhu, Ai Guo; Ma, Zhuo Ming; Li, Lin Jie; Wei, Tian Tian; Ge, Yan Qing","Ethyl 2,4-dimethylpyrido[1,2-<i>a</i>]benzimidazole-3-carboxylate","Acta Crystallographica Section E","2012","68","10","o3032","","10.1107/S1600536812040299","","","0.71073","MoKα","","0.0523","0.0465","","","0.1273","0.1339","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236606","7.9384","0.0002","11.1512","0.0002","13.0325","0.0003","113.481","0.001","90.942","0.001","107.359","0.001","997.81","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-2-{[3-Methyl-5-(2-naphthyloxy)-1-phenyl-1<i>H</i>- pyrazol-4-yl]methylidene}hydrazinecarbothioamide monohydrate","","- C22 H21 N5 O2 S -","- C22 H21 N5 O2 S -","- C44 H42 N10 O4 S2 -","2","1","RZ5007","Fun, Hoong-Kun; Chia, Tze Shyang; Shetty, Shobhitha; Kalluraya, Balakrishna; Nithinchandra","(2<i>E</i>)-2-{[3-Methyl-5-(2-naphthyloxy)-1-phenyl-1<i>H</i>-pyrazol-4-yl]methylidene}hydrazinecarbothioamide monohydrate","Acta Crystallographica Section E","2012","68","10","o3055","o3056","10.1107/S1600536812039815","","","0.71073","MoKα","","0.0625","0.0441","","","0.1122","0.1237","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236607","10.383","0.001","6.0303","0.0006","18.7366","0.0017","90","","95.591","0.004","90","","1167.57","0.19","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-<i>tert</i>-Butyl 5-methyl (2<i>R</i>,4<i>S</i>,5<i>R</i>)- 2-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,3-oxazolidine-3,5-dicarboxylate","","- C23 H26 N2 O8 -","- C23 H26 N2 O8 -","- C46 H52 N4 O16 -","2","1","RZ5008","Montiel-Smith, Sara; Bernès, Sylvain; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Dubois, Joëlle","3-<i>tert</i>-Butyl 5-methyl (2<i>R</i>,4<i>S</i>,5<i>R</i>)-2-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,3-oxazolidine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","11","o3146","o3147","10.1107/S160053681204192X","","","0.71073","MoKα","","0.0661","0.0386","","","0.0827","0.0953","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236608","18.0686","0.0004","18.1126","0.0004","14.8351","0.0003","90","","108.613","0.001","90","","4601.13","0.17","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)palladium(II) bis(tetrafluoroborate) acetonitrile monosolvate","","- C18 H15 B2 F8 N9 Pd -","- C18 H15 B2 F8 N9 Pd -","- C144 H120 B16 F64 N72 Pd8 -","8","1","RZ5009","Duong, Adam; Wuest, James D.; Maris, Thierry","Bis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)palladium(II) bis(tetrafluoroborate) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","11","m1347","m1348","10.1107/S1600536812041591","","","1.54178","CuKα","","0.0313","0.0302","","","0.0795","0.0805","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236609","12.5894","0.0017","7.3109","0.001","14.8425","0.0019","90","","113.118","0.002","90","","1256.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","RZ5010","Su, Bi-Yun; Qin, Wen-Long; Wang, Jia-Xiang","2,5-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section E","2012","68","11","o3088","","10.1107/S1600536812040858","","","0.71073","MoKα","","0.0572","0.045","","","0.1415","0.1556","","","","","","0.959","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236610","9.588","0.002","12.333","0.003","12.393","0.003","74.961","0.019","70.051","0.018","69.293","0.019","1272.4","0.5","150","2","150","","","","","","","","","5","P -1","-P 1","2","","[4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate","","- C28 H26 Br2 N P -","- C28 H26 Br2 N P -","- C56 H52 Br4 N2 P2 -","2","1","RZ5012","Burke, Benjamin P.; Greenman, Peter; Smith, Adam M.; Archibald, Stephen J.","[4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","11","o3202","","10.1107/S1600536812042341","","","0.71073","MoKα","","0.0647","0.0291","","","","0.0514","","","","","","0.681","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236611","18.263","0.0015","9.0963","0.0008","7.3025","0.0006","90","","114.499","0.002","90","","1103.91","0.16","223","","223","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-Dibromophenanthrene","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","0.5","RZ5013","Yokota, Ruri; Kitamura, Chitoshi; Kawase, Takeshi","9,10-Dibromophenanthrene","Acta Crystallographica Section E","2012","68","11","o3174","","10.1107/S1600536812042353","","","0.71073","MoKα","","0.0496","0.0333","","","0.0755","0.1162","","","","","","1.254","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236612","6.4315","0.0013","7.3879","0.0015","8.621","0.0017","105.69","0.03","107.94","0.03","96.19","0.03","366.93","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide- κ<i>O</i>)cobalt(II)]-di-μ-1,5-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^]","","- C10 H14 Co N8 O2 -","- C10 H14 Co N8 O2 -","- C10 H14 Co N8 O2 -","1","0.5","RZ5015","Meng, S. C.","A triclinic polymorph of <i>catena</i>-poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cobalt(II)]-di-μ-1,5-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section E","2012","68","11","m1404","","10.1107/S1600536812043310","","","0.71073","MoKα","","0.0275","0.0254","","","0.0607","0.0614","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236613","21.7517","0.0001","21.7517","0.0001","7.6269","0.0001","90","","90","","120","","3125.11","0.05","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(μ~3~-1-methylthiourea- κ^3^<i>S</i>:<i>S</i>:<i>S</i>)hexakis[iodidocopper(I)]","","- C12 H36 Cu6 I6 N12 S6 -","- C12 H36 Cu6 I6 N12 S6 -","- C36 H108 Cu18 I18 N36 S18 -","3","0.166667","RZ5016","Ahmad, Saeed; Mufakkar, Muhammad; Khan, Islam Ullah; Fun, Hoong-Kun; Waheed, Abdul","Hexakis(μ~3~-1-methylthiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)hexakis[iodidocopper(I)]","Acta Crystallographica Section E","2012","68","11","m1405","m1406","10.1107/S1600536812043437","","","0.71073","MoKα","","0.0362","0.0273","","","0.0567","0.0605","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236614","22.3058","0.0004","14.6047","0.0003","16.8302","0.0003","90","","90","","90","","5482.77","0.18","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(4-Fluorophenyl)[8-(4-fluorobenzoyl)-2,7-diphenoxynaphthalen-1-yl]methanone","","- C36 H22 F2 O4 -","- C36 H22 F2 O4 -","- C288 H176 F16 O32 -","8","1","RZ5018","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","(4-Fluorophenyl)[8-(4-fluorobenzoyl)-2,7-diphenoxynaphthalen-1-yl]methanone","Acta Crystallographica Section E","2012","68","11","o3246","","10.1107/S160053681204408X","","","1.54187","CuKα","","0.0361","0.0345","","","0.0896","0.0908","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236615","14.2608","0.0014","10.1844","0.0009","7.5723","0.0009","90","","94.206","0.01","90","","1096.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxybenzamidinium hydrogen sulfate","","- C8 H12 N2 O5 S -","- C8 H12 N2 O5 S -","- C32 H48 N8 O20 S4 -","4","1","RZ5020","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium hydrogen sulfate","Acta Crystallographica Section E","2012","68","11","o3244","","10.1107/S1600536812044327","","","0.71069","MoKα","","0.0511","0.0388","","","0.1038","0.1138","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236616","7.0107","0.0014","8.8968","0.0018","19.52","0.004","90","","95.9","0.03","90","","1211.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methylthioperimidiniumiodide","2-Methylsulfanyl-1<i>H</i>-perimidin-3-ium iodide","","- C12 H11 I N2 S -","- C12 H11 I N2 S -","- C48 H44 I4 N8 S4 -","4","1","SJ5260","Ghorbani, Mohammad Hassan","2-Methylsulfanyl-1<i>H</i>-perimidin-3-ium iodide","Acta Crystallographica Section E","2012","68","9","o2605","","10.1107/S1600536812033697","","","0.71073","MoKα","","0.0837","0.0444","","","0.0859","0.0936","","","","","","1.109","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236617","10.0414","0.0006","18.3997","0.0011","15.5456","0.0007","90","","128.559","0.002","90","","2246","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-{[1-(2,4-dichlorobenzyl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}-8- (trifluoromethyl)quinoline-3-carboxylate","","- C23 H17 Cl2 F3 N4 O3 -","- C23 H17 Cl2 F3 N4 O3 -","- C92 H68 Cl8 F12 N16 O12 -","4","1","SJ5262","Fun, Hoong-Kun; Ooi, Chin Wei; Garudachari, B.; Isloor, Arun M.; Rashid, Suraya A.","Ethyl 4-{[1-(2,4-dichlorobenzyl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}-8-(trifluoromethyl)quinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","10","o3017","o3018","10.1107/S1600536812039633","","","0.71073","MoKα","","0.0463","0.035","","","0.0943","0.1016","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236618","9.5952","0.0002","9.7018","0.0002","16.2065","0.0003","90","","99.4807","0.0017","90","","1488.07","0.05","119.9","0.6","119.9","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Difluoro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C17 H18 F2 N2 O2 -","- C17 H18 F2 N2 O2 -","- C68 H72 F8 N8 O8 -","4","1","SJ5264","Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Kučeráková, Monika; Dušek, Michal","4,4'-Difluoro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","10","o3043","o3044","10.1107/S1600536812040329","","","1.5418","CuKα","","0.0336","0.0312","","","0.1061","0.1078","","","","","","2.21","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236619","7.401","0.005","16.589","0.005","11.762","0.004","90","","111.53","0.03","90","","1343.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","SJ5265","Kuai, Hai-Wei","A monoclinic polymorph of 5-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid","Acta Crystallographica Section E","2012","68","11","o3068","","10.1107/S1600536812041025","","","0.71073","MoKα","","0.1182","0.0559","","","0.1219","0.1523","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236620","7.8438","0.0014","11.555","0.002","10.9649","0.0018","90","","108.375","0.003","90","","943.1","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(5-Benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate","","- C22 H26 O3 -","- C22 H26 O3 -","- C44 H52 O6 -","2","1","SJ5266","Kim, Tae Ho; Park, Ki-Min; Jeon, Youngeun; Kim, Jineun","Bioresmethrin: (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate","Acta Crystallographica Section E","2012","68","11","o3060","","10.1107/S1600536812040767","","","0.71073","MoKα","","0.052","0.043","","","0.0924","0.0961","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236621","12.144","0.004","6.734","0.002","12.333","0.004","90","","114.589","0.005","90","","917.1","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-4-Benzylidene-3-methylisoxazol-5(4<i>H</i>)-one","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C44 H36 N4 O8 -","4","1","SJ5268","Chandra; Srikantamurthy, N.; Jeyaseelan, S.; Umesha, K. B.; Palani, K.; Mahendra, M.","(<i>Z</i>)-4-Benzylidene-3-methylisoxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3091","","10.1107/S1600536812041311","","","0.71073","MoKα","","0.0489","0.0419","","","0.1055","0.1109","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236622","12.3079","0.0007","19.5089","0.0012","13.0131","0.0006","90","","105.43","0.003","90","","3012","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-\ (2,6-difluorobenzoyl)phosphoric triamide","","- C35 H32 F2 N3 O2 P -","- C35 H32 F2 N3 O2 P -","- C140 H128 F8 N12 O8 P4 -","4","1","SJ5269","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(2,6-difluorobenzoyl)phosphoric triamide","Acta Crystallographica Section E","2012","68","11","o3186","","10.1107/S1600536812042481","","","0.71073","MoKα","","0.0781","0.0439","","","0.0965","0.1114","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236623","9.4262","0.001","12.9863","0.0014","15.4227","0.0016","90","","102.843","0.002","90","","1840.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoximate","(3-Chloro-2,6-dimethoxyphenyl)(ethoxyimino)methyl benzoate","","- C18 H18 Cl N O5 -","- C18 H18 Cl N O5 -","- C72 H72 Cl4 N4 O20 -","4","1","SJ5275","Kim, Tae Ho; Moon, Suk-Hee; Kim, Jineun; Park, Ki-Min","Benzoximate","Acta Crystallographica Section E","2012","68","11","o3237","","10.1107/S1600536812044248","","","0.71073","MoKα","","0.1235","0.073","","","0.1246","0.1376","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236624","8.5467","0.0013","8.4344","0.0012","8.9674","0.0013","90","","90","","90","","646.43","0.16","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[(μ~3~-hydrogenphosphato)(4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^)zinc]","","- C2 H4 N3 O4 P Zn -","- C2 H4 N3 O4 P Zn -","- C8 H16 N12 O16 P4 Zn4 -","4","1","SJ5276","Aitenneite, Hafid; El Bouari, Abdeslam; Sebti, Said; Saadi, Mohamed; El Ammari, Lahcen; Adil, Karim","Poly[(μ~3~-hydrogenphosphato)(4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^)zinc]","Acta Crystallographica Section E","2012","68","11","m1426","m1427","10.1107/S1600536812044182","","","0.71073","MoKα","","0.0218","0.021","","","0.0508","0.0511","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236625","7.526","0.003","12.45","0.005","12.04","0.004","90","","90.243","0.004","90","","1128.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2,3-Dimethylanilino)pent-3-en-2-one","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","SU2465","Venter, Gertruida J. S.; Steyl, Gideon; Roodt, Andreas","4-(2,3-Dimethylanilino)pent-3-en-2-one","Acta Crystallographica Section E","2012","68","10","o2930","o2931","10.1107/S1600536812038779","","","0.71073","MoKα","","0.0413","0.0376","","","","0.1032","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236626","7.0937","0.0007","9.8687","0.001","11.249","0.0011","87.334","0.008","73.475","0.008","75.174","0.008","729.54","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","Caloxanthone C","4-{(<i>E</i>)-2-[4-(But-3-en-1-yloxy)phenyl]diazen-1-yl}benzoic acid","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","SU2476","Rahman, Md. Lutfor; Kwong, Huey Chong; Mohd. Yusoff, Mashitah; Hegde, Gurumurthy; Mohamed Tahir, Mohamed Ibrahim; Rahman, Mohamad Zaki. Ab.","4-{(<i>E</i>)-2-[4-(But-3-en-1-yloxy)phenyl]diazen-1-yl}benzoic acid","Acta Crystallographica Section E","2012","68","10","o2958","","10.1107/S1600536812038718","","","1.5418","CuKα","","0.0645","0.0537","","0.1464","0.1377","0.1464","","","","","","1.0023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236627","10.632","0.003","10.886","0.003","14.546","0.005","89.518","0.005","71.581","0.004","61.56","0.004","1384","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","[μ-(3,4,5,6,7-η:1,9,10,11,12)-5,11-Di-<i>tert</i>-butyl-2,2,8,8-tetramethyl- 2,8-disilatricyclo[7.3.0.0^3,7^]dodecatetraenediyl]bis[dicarbonylruthenium(I)]","","- C26 H34 O4 Ru2 Si2 -","- C26 H34 O4 Ru2 Si2 -","- C52 H68 O8 Ru4 Si4 -","2","1","SU2478","Zhu, Bolin","[μ-(3,4,5,6,7-η:1,9,10,11,12)-5,11-Di-<i>tert</i>-butyl-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.0^3,7^]dodecatetraenediyl]bis[dicarbonylruthenium(I)]","Acta Crystallographica Section E","2012","68","9","m1164","","10.1107/S1600536812033454","","","0.71073","MoKα","","0.0403","0.0324","","","0.0734","0.0766","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236628","7.18","0.0002","13.2303","0.0007","27.9383","0.0013","90","","90.741","0.003","90","","2653.7","0.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[iodidocopper(I)]-{μ-<i>N</i>-[(pyridin-2- yl-κ<i>N</i>)methylidene]pyridin-3-amine-κ^2^<i>N</i>^3^:<i>N</i>^1^}] acetonitrile monosolvate]","","- C12 H13.5 Cu I N3 -","- C11 H9 Cu I N3 -","- C88 H72 Cu8 I8 N24 -","8","2","SU2480","Mahmoudi, Ali; Dehghanpour, Saeed; Babakhodaverdi, Mojtaba","<i>catena</i>-Poly[[[iodidocopper(I)]-{μ-<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methylidene]pyridin-3-amine-κ^2^<i>N</i>^3^:<i>N</i>^1^}] acetonitrile hemisolvate]","Acta Crystallographica Section E","2012","68","10","m1277","m1278","10.1107/S1600536812037270","","","0.71073","MoKα","","0.1273","0.0604","","","0.1476","0.1778","","","","","","1.017","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236629","11.2806","0.0004","16.3703","0.0007","9.0253","0.0003","90","","90","","90","","1666.67","0.11","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[diaqua[μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-fumarato- κ^2^<i>O</i>^1^:<i>O</i>^4^)nickel(II)]","","- C16 H16 N4 Ni O6 -","- C16 H16 N4 Ni O6 -","- C64 H64 N16 Ni4 O24 -","4","0.5","SU2481","Bian, Chang-Xin; Yao, Xiao-Qiang; Song, Yu-Min","Poly[diaqua[μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^)nickel(II)]","Acta Crystallographica Section E","2012","68","10","m1286","m1287","10.1107/S1600536812038895","","","0.71073","MoKα","","0.0355","0.0304","","","0.0893","0.0926","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236630","15.966","0.0007","6.8902","0.0003","12.152","0.0006","90","","103.381","0.005","90","","1300.54","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-[Methoxy(phenyl)methylidene]-3,4,5-trimethyl-2,3-dihydro- 1,3-thiazole","","- C14 H17 N O S -","- C14 H17 N O S -","- C56 H68 N4 O4 S4 -","4","1","SU2484","Maji, Biplab; Mayr, Herbert; Mayer, Peter","(<i>Z</i>)-2-[Methoxy(phenyl)methylidene]-3,4,5-trimethyl-2,3-dihydro-1,3-thiazole","Acta Crystallographica Section E","2012","68","9","o2644","","10.1107/S1600536812034137","","","0.71073","MoKα","","0.0491","0.0362","","","0.1003","0.1043","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236631","9.5947","0.0015","6.6293","0.0008","12.34","0.002","90","","92.221","0.005","90","","784.3","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(6-Methoxynaphthalen-2-yl)-1-(morpholin-4-yl)propan-1-one","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C36 H42 N2 O6 -","2","1","SU2485","Nasirullah; Islam, Nazar Ul; Tahir, M. Nawaz; Khan, Ikhtiar; Zulfiqar, Muhammad","2-(6-Methoxynaphthalen-2-yl)-1-(morpholin-4-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2636","","10.1107/S1600536812034083","","","0.71073","MoKα","","0.0964","0.0541","","","0.1198","0.142","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236632","13.9124","0.0018","5.4112","0.0007","17.409","0.002","90","","92.444","0.007","90","","1309.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-[(<i>E</i>)-(2-{2-[(2-{[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]amino}phenyl)sulfanyl]ethylsulfanyl}phenyl)iminomethyl]phenol","","- C28 H22 Br2 N2 O2 S2 -","- C28 H22 Br2 N2 O2 S2 -","- C56 H44 Br4 N4 O4 S4 -","2","0.5","SU2486","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","4-Bromo-2-[(<i>E</i>)-(2-{2-[(2-{[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]amino}phenyl)sulfanyl]ethylsulfanyl}phenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2635","","10.1107/S1600536812034071","","","0.71073","MoKα","","0.1627","0.0524","","","0.0803","0.1057","","","","","","0.925","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236633","13.4683","0.0009","8.9062","0.0005","14.711","0.0008","90","","105.646","0.002","90","","1699.22","0.18","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3,6-Dimethoxynaphthalen-2-yl)(naphthalen-2-yl)methanone","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","SU2487","Tsumuki, Takehiro; Murohashi, Shun; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki","(3,6-Dimethoxynaphthalen-2-yl)(naphthalen-2-yl)methanone","Acta Crystallographica Section E","2012","68","9","o2653","","10.1107/S1600536812034186","","","0.71075","MoKα","","0.0415","0.0377","","","0.1055","0.1088","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236634","13.353","0.005","15.986","0.005","10.023","0.005","90","","104.696","0.005","90","","2069.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{4,4'-Dimethyl-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","","- C21 H26 Cu N2 O3 -","- C21 H26 Cu N2 O3 -","- C84 H104 Cu4 N8 O12 -","4","0.5","SU2488","Kargar, Hadi; Kia, Reza; Ganji, Fatemeh; Mirkhani, Valiollah","{4,4'-Dimethyl-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","Acta Crystallographica Section E","2012","68","9","m1172","","10.1107/S1600536812034502","","","0.71073","MoKα","","0.1364","0.0843","","","0.1885","0.2087","","","","","","0.952","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236635","10.7929","0.001","10.8527","0.001","12.7815","0.0013","97.745","0.008","104.041","0.007","115.635","0.007","1259.3","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6- dihydropyridazin-1-yl)propan-1-one","","- C29 H27 Cl N4 O2 -","- C29 H27 Cl N4 O2 -","- C58 H54 Cl2 N8 O4 -","2","1","SU2489","Aydın, Abdullah; Akkurt, Mehmet; Doğruer, Deniz S.; Büyükgüngör, Orhan","1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6-dihydropyridazin-1-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2720","","10.1107/S160053681203543X","","","0.71073","MoKα","","0.0546","0.0406","","","0.1035","0.1109","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236636","8.6455","0.0002","10.7338","0.0003","12.331","0.0003","90","","99.055","0.001","90","","1130.04","0.05","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1<i>S</i>,8<i>R</i>,15<i>S</i>,19<i>R</i>)-17-Benzyl-17- azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca- 2(7),3,5,9(14),10,12-hexaene chloroform monosolvate","","","- C26 H24 Cl3 N -","- C26 H24 Cl3 N -","- C52 H48 Cl6 N2 -","2","1","SU2490","Bratko, Ielyzaveta; Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","(1<i>S</i>,8<i>R</i>,15<i>S</i>,19<i>R</i>)-17-Benzyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate","Acta Crystallographica Section E","2012","68","10","o2881","","10.1107/S1600536812037749","","","0.71073","MoKα","","0.0465","0.0419","","","0.1137","0.1186","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236637","10.222","0.002","7.128","0.002","16.537","0.004","90","","90","","90","","1204.9","0.5","100","0.5","100","0.5","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Nitro-1-[(trimethylsilyl)ethynyl]benzene","","- C11 H13 N O2 Si -","- C11 H13 N O2 Si -","- C44 H52 N4 O8 Si4 -","4","1","SU2491","Millican, Jasmine N.; Fronczek, Frank R.; Watkins, Steve F.","4-Nitro-1-[(trimethylsilyl)ethynyl]benzene: low-temperature polymorph at 100K","Acta Crystallographica Section E","2012","68","9","o2652","","10.1107/S1600536812034034","","","0.71073","MoKα","","","0.0505","","","","0.1229","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236638","10.881","0.0019","5.2783","0.0009","12.751","0.002","90","","114.333","0.003","90","","667.27","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Chloro-1<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine","","- C6 H4 Cl N3 -","- C6 H4 Cl N3 -","- C24 H16 Cl4 N12 -","4","1","SU2492","Dong, Su-Lan; Cheng, Xiaochun","4-Chloro-1<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2012","68","9","o2666","","10.1107/S1600536812034095","","","0.71073","MoKα","","0.0547","0.0516","","","0.1424","0.1446","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236639","6.4527","0.0002","11.2213","0.0004","16.9371","0.0007","90","","100.002","0.002","90","","1207.74","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzyl-5-methyl-1,2-benzoxazole 2-oxide","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","SU2493","Anuradha, G.; Gopalsamy, Vasuki; Veera Reddy, A.; Laxminarasimhulu, G.","3-Benzyl-5-methyl-1,2-benzoxazole 2-oxide","Acta Crystallographica Section E","2012","68","10","o2957","","10.1107/S160053681203838X","","","0.71073","MoKα","","0.0858","0.0498","","","0.1461","0.172","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236640","25.836","0.003","10.482","0.0012","22.544","0.003","90","","90","","90","","6105.2","1.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(2.2.2-Cryptand)potassium tetrakis(η^2^-ethylene)cobaltate(-I)","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium tetrakis(η^2^-ethylene)cobaltate(-I)","","- C26 H52 Co K N2 O6 -","- C26 H52 Co K N2 O6 -","- C208 H416 Co8 K8 N16 O48 -","8","1","SU2495","Brennessel, William W.; Ellis, John E.","(2.2.2-Cryptand)potassium tetrakis(η^2^-ethylene)cobaltate({-}I)","Acta Crystallographica Section E","2012","68","10","m1257","m1258","10.1107/S1600536812038287","","","0.71073","MoKα","","0.0702","0.035","","","0.0645","0.0734","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236641","12.84","0.005","15.457","0.005","22.173","0.005","90","","102.397","0.005","90","","4298","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Bis(3,5-dichloroalicylidene)-2,2-dimethyl-1,3-propandiamine]dioxomolybdenum(VI)","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","","- C19 H16 Cl4 Mo N2 O4 -","- C19 H16 Cl4 Mo N2 O4 -","- C152 H128 Cl32 Mo8 N16 O32 -","8","2","SU2496","Kargar, Hadi; Kubicki, Maciej","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","Acta Crystallographica Section E","2012","68","10","m1251","m1252","10.1107/S160053681203807X","","","1.54178","CuKα","","0.028","0.0274","","","0.0785","0.079","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236642","9.6054","0.0007","36.567","0.002","14.4207","0.001","90","","105.038","0.003","90","","4891.7","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Tris(η^5^-cyclopentadienyl)-[(tris-η^6^)-(9,10-dihydroanthracene-9,10-endo-\ 3',4'-(<i>N</i>-benzyl)-pyrrolidine)]-triruthenium(II) tris(hexafluorophosphate)","Tris(η^5^-cyclopentadienyl)-tris[η^6^-[9,10-dihydroanthracene-9,10- <i>endo</i>-3',4'-(<i>N</i>-benzyl)pyrrolidine]]triruthenium(II) tris(hexafluorophosphate) acteone disolvate","","- C46 H50 F18 N O2 P3 Ru3 -","- C46 H50 F18 N O2 P3 Ru3 -","- C184 H200 F72 N4 O8 P12 Ru12 -","4","1","SU2499","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","Tris(η^5^-cyclopentadienyl)-tris[η^6^-[9,10-dihydroanthracene-9,10-<i>endo</i>-3',4'-(<i>N</i>-benzyl)pyrrolidine]]triruthenium(II) tris(hexafluorophosphate) acetone disolvate","Acta Crystallographica Section E","2012","68","10","m1313","m1314","10.1107/S1600536812040652","","","0.71073","MoKα","","0.0999","0.0468","","","0.0793","0.0934","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236643","17.64","0.001","11.0295","0.0006","11.3791","0.0006","90","","99.133","0.001","90","","2185.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propan-2-yl <i>r</i>-4-(4-fluorophenyl)-3-hydroxy-<i>c</i>-6-methyl-2-phenyl- 4,5-dihydro-2<i>H</i>-indazole-<i>t</i>-5-carboxylate","","- C24 H23 F N2 O3 -","- C24 H23 F N2 O3 -","- C96 H92 F4 N8 O12 -","4","1","SU2500","Rizwana Begum, S.; Hema, R.; Pandiarajan, K.; Balasubramanian, Sridhar; Anitha, A. G.","Propan-2-yl <i>r</i>-4-(4-fluorophenyl)-3-hydroxy-<i>c</i>-6-methyl-2-phenyl-4,5-dihydro-2<i>H</i>-indazole-<i>t</i>-5-carboxylate","Acta Crystallographica Section E","2012","68","10","o3021","o3022","10.1107/S1600536812039955","","","0.71073","MoKα","","0.0676","0.0508","","","0.1242","0.1352","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236644","3.8874","0.001","9.782","0.003","13.078","0.003","111.569","0.019","90.83","0.02","95.01","0.02","460.1","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Methyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C11 H8 O4 -","- C11 H8 O4 -","- C22 H16 O8 -","2","1","SU2501","Saeed, Aamer; Ibrar, Aalia; Arshad, Muhammad; Bolte, Michael","Methyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2012","68","10","o3024","","10.1107/S1600536812040044","","","0.71073","MoKα","","0.0552","0.0431","","","0.1157","0.1225","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236645","9.9428","0.0012","7.3693","0.0009","19.743","0.002","90","","95.525","0.008","90","","1439.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,4-dinitrophenyl)sulfane","","- C12 H6 N4 O8 S -","- C12 H6 N4 O8 S -","- C48 H24 N16 O32 S4 -","4","1","SU2502","Buvaneswari, M.; Kalaivani, D.; Nethaji, M.","Bis(2,4-dinitrophenyl)sulfane","Acta Crystallographica Section E","2012","68","11","o3116","","10.1107/S1600536812041803","","","0.71073","MoKα","","0.1113","0.0463","","","0.089","0.1099","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236646","9.6741","0.0004","12.6695","0.0007","14.3601","0.0007","68.354","0.005","75.273","0.004","84.264","0.004","1582.16","0.15","180","","180","","","","","","","","","6","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] octaaquachloridolanthanum(III) tetrachloride trihydrate","","- C14 H44 Cl5 La N4 O11 -","- C14 H44 Cl5 La N4 O11 -","- C28 H88 Cl10 La2 N8 O22 -","2","1","SU2504","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Zeghouan, Ouahida","Bis[4-(dimethylamino)pyridinium] octaaquachloridolanthanum(III) tetrachloride trihydrate","Acta Crystallographica Section E","2012","68","11","m1321","m1322","10.1107/S1600536812040901","","","0.71073","MoKα","","0.028","0.0233","","","0.0533","0.0564","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236647","7.4099","0.0006","8.4298","0.0007","10.0254","0.0008","100.353","0.001","108.975","0.001","98.679","0.001","567.62","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde- κ<i>N</i>')]dicopper(II)(<i>Cu—Cu</i>)","","- C20 H22 Cu2 N2 O10 -","- C20 H22 Cu2 N2 O10 -","- C20 H22 Cu2 N2 O10 -","1","0.5","SU2505","Cruz-Enriquez, Adriana; Baez-Castro, Alberto; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, Jose J.","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde-κ<i>N</i>')]dicopper(II)(<i>Cu{—</i>Cu})","Acta Crystallographica Section E","2012","68","11","m1339","m1340","10.1107/S1600536812041074","","","0.71073","MoKα","","0.0278","0.0271","","","0.0676","0.0681","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236648","9.5172","0.0004","10.7739","0.0005","11.9976","0.0005","74.855","0.004","69.78","0.004","85.075","0.004","1114.28","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Tris[4-(dimethylamino)pyridinium][(bis-μ-dichlorido)-decaaqua\ dichloridodineodymium(III)] pentachloride dihydrate","","- C21 H57 Cl9 N6 Nd2 O12 -","- C21 H57 Cl9 N6 Nd2 O12 -","- C21 H57 Cl9 N6 Nd2 O12 -","1","0.5","SU2506","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Zeghouan, Ouahida","Tris[4-(dimethylamino)pyridinium][(bis-μ-dichlorido)-decaaquadichloridodineodymium(III)] pentachloride dihydrate","Acta Crystallographica Section E","2012","68","11","m1342","m1343","10.1107/S1600536812041724","","","0.71073","MoKα","","0.0356","0.0289","","","0.0633","0.0676","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236649","18.3169","0.0007","9.6142","0.0003","23.1656","0.0008","90","","99.0261","0.0007","90","","4029","0.2","296","","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Methoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","2","SU2509","Akkurt, Mehmet; Marzouk, Adel A.; Abbasov, Vagif. M.; Abdelhamid, Antar A.; Gurbanov, Atash V.","2-(4-Methoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","11","o3113","o3114","10.1107/S1600536812041979","","","0.71073","MoKα","","0.0813","0.0584","","","0.1593","0.181","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236650","9.1568","0.0008","11.4452","0.001","11.4928","0.0011","90","","110.84","0.004","90","","1125.66","0.18","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Di-<i>tert</i>-butyl <i>N</i>-{[1-(pyridin-4-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methyl}iminodiacetate","","- C20 H29 N5 O4 -","- C20 H29 N5 O4 -","- C40 H58 N10 O8 -","2","1","SU2510","François, Alison; Marty, Louise; Picard, Claude; Mallet-Ladeira, Sonia; Benoist, Eric","Di-<i>tert</i>-butyl <i>N</i>-{[1-(pyridin-4-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methyl}iminodiacetate","Acta Crystallographica Section E","2012","68","11","o3162","","10.1107/S1600536812042596","","","0.71073","MoKα","","0.1306","0.0585","","","0.1016","0.122","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236651","7.8775","0.0003","9.3601","0.0004","15.2593","0.0006","105.831","0.003","101.498","0.003","90.919","0.003","1057.77","0.08","180","","180","","","","","","","","","6","P -1","-P 1","2","","4-(Dimethylamino)pyridinium octaaquaerbium(III) tetrachloride monohydrate","","- C7 H29 Cl4 Er N2 O9 -","- C7 H29 Cl4 Er N2 O9 -","- C14 H58 Cl8 Er2 N4 O18 -","2","1","SU2511","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Zeghouan, Ouahida","4-(Dimethylamino)pyridinium octaaquaerbium(III) tetrachloride monohydrate","Acta Crystallographica Section E","2012","68","11","m1388","m1389","10.1107/S1600536812043048","","","0.71073","MoKα","","0.0166","0.0151","","","0.0369","0.0376","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236652","22.592","0.0014","13.8299","0.0008","17.9092","0.0012","90","","95.269","0.008","90","","5572","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(isonicotinamide- κ<i>N</i>^1^)palladium(II) bis(hexafluoridophosphate)","","- C22 H20 F12 N6 O2 P2 Pd -","- C22 H20 F12 N6 O2 P2 Pd -","- C176 H160 F96 N48 O16 P16 Pd8 -","8","1","SU2513","Adrian, Rafael A.; Quintela, Brayan; Powell, Douglas R.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>cis</i>-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(isonicotinamide-κ<i>N</i>^1^)palladium(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2012","68","11","m1390","m1391","10.1107/S1600536812043036","","","1.54178","CuKα","","0.074","0.0523","","","0.1332","0.1466","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236653","6.8957","0.0003","10.2716","0.0005","12.7297","0.0006","74.843","0.004","87.579","0.004","73.304","0.004","833.06","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazin-1-ylidene]- 3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate","","- C16 H19 N3 O4 S -","- C16 H19 N3 O4 S -","- C32 H38 N6 O8 S2 -","2","1","SU2516","Öztürk Yildirim, Sema; Butcher, Ray J.; Köysal, Yavuz; Kantar, Esen Nur; Belder, Ayşe","Ethyl 2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazin-1-ylidene]-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate","Acta Crystallographica Section E","2012","68","11","o3213","o3214","10.1107/S1600536812043772","","","1.54184","CuKα","","0.0364","0.0359","","","0.0983","0.0988","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236654","6.945","0.001","5.542","0.001","17.238","0.003","90","","90","","90","","663.48","0.19","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromobutane-2,3-dione","","- C4 H4 Br2 O2 -","- C4 H4 Br2 O2 -","- C16 H16 Br8 O8 -","4","0.5","SU2517","Zai, De-Xin","1,4-Dibromobutane-2,3-dione","Acta Crystallographica Section E","2012","68","11","o3245","","10.1107/S1600536812044200","","","0.71073","MoKα","","0.1332","0.0648","","","0.0869","0.1076","","","","","","0.927","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236655","9.023","0.0012","9.367","0.0012","16.269","0.002","90","","101.453","0.003","90","","1347.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,6-Diisopropylphenyl)thioamide","","- C13 H19 N S -","- C13 H19 N S -","- C52 H76 N4 S4 -","4","1","TK5134","Omondi, Bernard; Levendis, Demetrius C.","<i>N</i>-(2,6-Diisopropylphenyl)thioamide","Acta Crystallographica Section E","2012","68","9","o2604","","10.1107/S1600536812033685","","","0.71073","MoKα","","0.1034","0.0537","","","0.1352","0.1603","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236656","13.765","0.003","5.9378","0.0012","16.635","0.004","90","","112.914","0.012","90","","1252.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-Amino-3-(4<i>H</i>-1,2,4-triazol-4-yl)-1<i>H</i>-1,2,4-triazole","","- C4 H5 N7 -","- C4 H5 N7 -","- C32 H40 N56 -","8","2","TK5136","Liu, Bing; Tomé, João P. C.; Cunha-Silva, Luís; Almeida Paz, Filipe A.","5-Amino-3-(4<i>H</i>-1,2,4-triazol-4-yl)-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2012","68","9","o2700","o2701","10.1107/S1600536812034691","","","0.71073","MoKα","","0.1635","0.073","","","0.1714","0.2255","","","","","","0.955","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236657","8.2846","0.0008","9.7782","0.0009","16.5355","0.0014","90","","102.344","0.002","90","","1308.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)diiodidopalladium(II)","","- C10 H9 I2 N3 Pd -","- C10 H9 I2 N3 Pd -","- C40 H36 I8 N12 Pd4 -","4","1","TK5137","Ha, Kwang","(Di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)diiodidopalladium(II)","Acta Crystallographica Section E","2012","68","9","m1144","","10.1107/S1600536812033946","","","0.71073","MoKα","","0.0534","0.0284","","","0.0524","0.0649","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236658","9.035","0.002","10.137","0.003","18.789","0.005","94.005","0.005","97.749","0.004","114.289","0.004","1539.2","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Tetrabutylammonium sesquihydrogen(phenylarsonate)","Tetrabutylammonium hydrogen phenylarsonate‒phenylarsonic acid (1/1)","","- C28 H49 As2 N O6 -","- C28 H49 As2 N O6 -","- C56 H98 As4 N2 O12 -","2","1","TK5138","Reck, Lukas; Schmitt, Wolfgang","Tetrabutylammonium hydrogen phenylarsonate‒phenylarsonic acid (1/1)","Acta Crystallographica Section E","2012","68","9","m1212","m1213","10.1107/S1600536812035362","","","0.71073","MoKα","","0.0294","0.0256","","","0.0677","0.0696","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236659","7.3059","0.0002","7.3059","0.0002","47.3659","0.0016","90","","90","","90","","2528.21","0.13","100","2","100","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","<i>trans</i>-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate","","- C18 H20 Cl6 N8 Ru -","- C18 H20 Cl6 N8 Ru -","- C72 H80 Cl24 N32 Ru4 -","4","0.25","TK5139","Nesterov, Vladimir N.; Khan, Wajiha; Rangel, Alexandra E.; Smucker, Bradley W.","<i>trans</i>-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate","Acta Crystallographica Section E","2012","68","9","m1193","","10.1107/S1600536812035817","","","0.71073","MoKα","","0.0168","0.0162","","","0.0398","0.0402","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236660","10.1077","0.0007","12.5703","0.0011","13.1586","0.0017","90","","102.886","0.01","90","","1629.8","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate","","- C15 H15 I N2 O4 -","- C15 H15 I N2 O4 -","- C60 H60 I4 N8 O16 -","4","1","TK5140","Mahboubi Anarjan, Parisa; Monfared, Hassan Hosseini; Arslan, N. Burcu; Kazak, Canan; Bikas, Rahman","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2698","","10.1107/S1600536812034848","","","0.71073","MoKα","","0.0383","0.0361","","","0.0864","0.0899","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236661","8.7527","0.0004","10.1342","0.0004","17.0211","0.0006","90","","104.187","0.004","90","","1463.75","0.11","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzimidazole","2-(4-Fluorophenyl)-1-phenyl-1<i>H</i>-benzimidazole","","- C19 H13 F N2 -","- C19 H13 F N2 -","- C76 H52 F4 N8 -","4","1","TK5141","Jayamoorthy, K.; Rosepriya, S.; Thiruvalluvar, A.; Jayabharathi, J.; Butcher, R. J.","2-(4-Fluorophenyl)-1-phenyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","9","o2708","","10.1107/S1600536812035155","","","0.71073","MoKα","","0.091","0.0631","","","0.1428","0.1598","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236662","29.848","0.004","7.9668","0.0011","26.325","0.004","90","","119.94","0.002","90","","5424.5","1.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrole","2,4,6-Trimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C15 H18 N2 -","- C15 H18 N2 -","- C240 H288 N32 -","16","2","TK5142","Su, Bi-yun; Li, Lei; Wang, Jia-Xiang; Li, Xuan-Yan","2,4,6-Trimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section E","2012","68","10","o2889","","10.1107/S1600536812037774","","","0.71073","MoKα","","0.1255","0.0568","","","0.13","0.1592","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236663","6.3441","0.0001","11.1354","0.0002","13.7754","0.0003","90","","90","","90","","973.15","0.03","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Amino-3-anilino-1<i>H</i>-pyrazole-4-carbonitrile","","- C10 H9 N5 -","- C10 H9 N5 -","- C40 H36 N20 -","4","1","TK5143","Mohamed, Shaaban K.; Akkurt, Mehmet; Fronczek, Frank R.; El-Remaily, Mahmoud A. A.; Abdelhamid, Antar A.","5-Amino-3-anilino-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2784","","10.1107/S1600536812036045","","","0.71073","MoKα","","0.0377","0.033","","","0.083","0.0859","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236664","18.158","0.002","9.5046","0.0013","24.066","0.003","90","","100.825","0.002","90","","4079.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tetrakis(dimethylformamide)tris(μ~4~-terephthalato)trimagnesium]","","- C36 H40 Mg3 N4 O16 -","- C36 H40 Mg3 N4 O16 -","- C144 H160 Mg12 N16 O64 -","4","1","TK5144","Koteswara Rao, Vandavasi; Zeller, Matthias; Lovelace-Cameron, Sherri R.","Poly[tetrakis(dimethylformamide)tris(μ~4~-terephthalato)trimagnesium]","Acta Crystallographica Section E","2012","68","10","m1291","m1292","10.1107/S1600536812038949","","","0.71073","MoKα","","0.0905","0.0662","","","0.1384","0.1494","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236665","8.5695","0.0002","16.1634","0.0005","23.8325","0.0007","90","","92.399","0.002","90","","3298.2","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5''-(2,4-Dichlorobenzylidene)-1'-(2,4-dichlorophenyl)-1''-methyl- 1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine- 2',3''-piperidine]-2,4''(1<i>H</i>)-dione","","- C37 H30 Cl4 N2 O2 -","- C37 H30 Cl4 N2 O2 -","- C148 H120 Cl16 N8 O8 -","4","1","TK5147","Suresh, J.; Vishnupriya, R.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","5''-(2,4-Dichlorobenzylidene)-1'-(2,4-dichlorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","10","o2906","","10.1107/S1600536812037956","","","0.71073","MoKα","","0.0563","0.0411","","","0.0945","0.1047","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236666","9.8","0.003","14.2392","0.0004","14.7772","0.0005","90","","90","","90","","2062.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Acetato-κ^2^<i>O</i>,<i>O</i>')[2'-(di-<i>tert</i>-butylphosphanyl)-1,1'- biphenyl-κ^2^<i>P</i>,<i>C</i>^2^]palladium(II)","","- C22 H29 O2 P Pd -","- C22 H29 O2 P Pd -","- C88 H116 O8 P4 Pd4 -","4","1","TK5150","Arderne, Charmaine; Holzapfel, Cedric W.","(Acetato-κ^2^<i>O</i>,<i>O</i>')[2'-(di-<i>tert</i>-butylphosphanyl)-1,1'-biphenyl-κ^2^<i>P</i>,<i>C</i>^2^]palladium(II)","Acta Crystallographica Section E","2012","68","10","m1308","","10.1107/S1600536812040068","","","0.71073","MoKα","","0.0144","0.0139","","","0.0339","0.0342","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236667","9.2327","0.0009","9.8708","0.0011","10.6787","0.0014","79.604","0.01","70.351","0.011","87.848","0.008","901.2","0.19","123","2","123","2","","","","","","","","3","P -1","-P 1","2","pyrazine","2-Ethyl-3,5,6-triphenylpyrazine","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","1","TK5151","Anuradha, N.; Thiruvalluvar, A.; Chitra, S.; Devanathan, D.; Butcher, R. J.","2-Ethyl-3,5,6-triphenylpyrazine","Acta Crystallographica Section E","2012","68","10","o3003","","10.1107/S1600536812039827","","","1.54184","CuKα","","0.0807","0.0627","","","0.1757","0.1981","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236668","8.4913","0.0003","16.6782","0.0006","20.5435","0.0007","90","","100.028","0.002","90","","2864.92","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5''-Benzylidene-1''-methyl-1'-phenyl-1',2',3',5',6',7',8',8a'- octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]- 2,4''(1<i>H</i>)-dione","","- C37 H34 N2 O2 -","- C37 H34 N2 O2 -","- C148 H136 N8 O8 -","4","1","TK5152","Suresh, J.; Nagalakshmi, R. A.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","5''-Benzylidene-1''-methyl-1'-phenyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","10","o2981","","10.1107/S1600536812039591","","","0.71073","MoKα","","0.0932","0.0533","","","0.1316","0.1567","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236669","8.892","0.001","9.1951","0.001","13.1515","0.0014","85.399","0.002","71.947","0.002","77.442","0.002","997.81","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-[1-(3-Hydroxybenzyl)-1<i>H</i>-benzimidazol-2-yl]phenol dimethyl sulfoxide monosolvate","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C44 H44 N4 O6 S2 -","2","1","TK5153","Quezada-Miriel, Magdalena; Avila-Sorrosa, Alcives; German-Acacio, Juan Manuel; Reyes-Martínez, Reyna; Morales-Morales, David","3-[1-(3-Hydroxybenzyl)-1<i>H</i>-benzimidazol-2-yl]phenol dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","10","o3053","o3054","10.1107/S1600536812040275","","","0.71073","MoKα","","0.0516","0.0418","","","0.1071","0.1131","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236670","4.6306","0.0003","18.1105","0.0012","15.3748","0.001","90","","98.532","0.001","90","","1275.1","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-Diiodoazobenzene","(<i>E</i>)-bis(2-iodophenyl)diazene","","- C12 H8 I2 N2 -","- C12 H8 I2 N2 -","- C48 H32 I8 N8 -","4","1","TK5154","Elder, Philip J. W.; Vargas-Baca, Ignacio","2,2'-Diiodoazobenzene","Acta Crystallographica Section E","2012","68","11","o3127","","10.1107/S1600536812040718","","","0.71073","MoKα","","0.0398","0.0272","","","0.0546","0.0594","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236671","24.066","0.002","10.0715","0.0008","14.5969","0.0011","90","","90","","90","","3538","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^-<i>O</i>(μ~2~-2-amino-1- methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')- hexacarbonyldirhenium(I)","","- C12 H12 N3 O9 Re2 -","- C12 H12 N3 O9 Re2 -","- C96 H96 N24 O72 Re16 -","8","1","TK5155","Schutte, M.; Visser, H. G.; Roodt, A.","(μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^<i>O</i>-(μ~2~-2-amino-1-methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')-hexacarbonyldirhenium(I)","Acta Crystallographica Section E","2012","68","11","m1359","m1360","10.1107/S1600536812041700","","","0.71073","MoKα","","0.0335","0.03","","","","0.0784","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236672","8.1963","0.0002","10.1554","0.0003","11.0057","0.0003","90","","107.435","0.003","90","","873.99","0.04","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua(μ~2~-pyrimidine-2-carboxylato-κ^4^<i>O</i>,<i>N</i>: <i>O</i>',<i>N</i>')(nitrato-κ<i>O</i>)cadmium]","","- C5 H5 Cd N3 O6 -","- C5 H5 Cd N3 O6 -","- C20 H20 Cd4 N12 O24 -","4","1","TK5156","In-noi, Orrasa; Chainok, Kittipnog; Harding, David J.","Poly[aqua(μ~2~-pyrimidine-2-carboxylato-κ^4^<i>O</i>,<i>N</i>:<i>O</i>',<i>N</i>')(nitrato-κ<i>O</i>)cadmium]","Acta Crystallographica Section E","2012","68","11","m1349","m1350","10.1107/S1600536812041645","","","0.71073","MoKα","","0.0344","0.0282","","","0.0672","0.0697","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236673","11.0708","0.0002","10.0435","0.0002","17.574","0.0004","90","","104.973","0.001","90","","1887.7","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3-Chloropropyl)triphenylphosphonium bromide","(3-Chloropropyl)triphenylphosphonium bromide","","- C21 H21 Br Cl P -","- C21 H21 Br Cl P -","- C84 H84 Br4 Cl4 P4 -","4","1","TK5158","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Dayananda, A. S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","(3-Chloropropyl)triphenylphosphonium bromide","Acta Crystallographica Section E","2012","68","11","o3115","","10.1107/S1600536812042122","","","0.71073","MoKα","","0.0393","0.0344","","","0.1037","0.1074","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236674","30.7475","0.0016","5.8877","0.0003","15.4364","0.0008","90","","105.47","0.005","90","","2693.2","0.2","249","2","249","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[4-Chloro-3-(trifluoromethyl)phenyl]-4-phenyl-1<i>H</i>-1,2,3-triazole","","- C15 H9 Cl F3 N3 -","- C15 H9 Cl F3 N3 -","- C120 H72 Cl8 F24 N24 -","8","1","TK5159","Altimari, Jarrad M.; Healy, Peter C.; Henderson, Luke C.","1-[4-Chloro-3-(trifluoromethyl)phenyl]-4-phenyl-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2012","68","11","o3159","","10.1107/S1600536812042705","","","0.7107","MoKα","","0.0548","0.0411","","","0.0851","0.0911","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236675","15.355","0.003","11.139","0.002","11.546","0.002","90","","111.38","0.03","90","","1838.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4,5-Trimethoxyphenol","","- C9 H12 O4 -","- C9 H12 O4 -","- C72 H96 O32 -","8","2","TK5160","Jia, Xiao-Chuan; Li, Jing; Yu, Zhi-Rui; Zhang, Hui; Zhou, Lei","3,4,5-Trimethoxyphenol","Acta Crystallographica Section E","2012","68","11","o3160","","10.1107/S1600536812042997","","","0.71073","MoKα","","0.0566","0.0506","","","0.1186","0.1229","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236676","11.4824","0.0004","6.9072","0.0002","14.4978","0.0005","90","","113.128","0.0015","90","","1057.42","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-4-hydroxy-8-methoxyquinolin-2(1<i>H</i>)-one","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","TK5161","Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez","3-Ethyl-4-hydroxy-8-methoxyquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3198","","10.1107/S1600536812043279","","","0.71073","MoKα","","0.1011","0.0769","","","0.2577","0.2715","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236677","16.5055","0.0004","8.8068","0.0002","16.669","0.0004","90","","90","","90","","2423.02","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione monohydrate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","TK5162","Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez","3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione monohydrate","Acta Crystallographica Section E","2012","68","11","o3199","o3200","10.1107/S1600536812043280","","","0.71073","MoKα","","0.0685","0.0442","","","0.1147","0.1274","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236678","10.75","0.002","15.194","0.003","13.699","0.003","90","","125.29","0.03","90","","1826.4","0.9","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl[2-(diisopropylphosphanyl)benzaldehyde- κ^2^<i>O</i>,<i>P</i>]rhenium(I)","","- C16 H19 Br O4 P Re -","- C16 H19 Br O4 P Re -","- C64 H76 Br4 O16 P4 Re4 -","4","1","VN2046","Apostolidis, Christos; Ahlmann, Martin; Walter, Olaf","<i>fac</i>-Bromidotricarbonyl[2-(diisopropylphosphanyl)benzaldehyde-κ^2^<i>O</i>,<i>P</i>]rhenium(I)","Acta Crystallographica Section E","2012","68","9","m1201","","10.1107/S1600536812035957","","","0.71073","MoKα","","0.0212","0.0184","","","0.0445","0.0453","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236679","7.836","0.003","8.051","0.003","8.733","0.003","85.44","0.03","73.85","0.03","65.12","0.04","479.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,2'-[(1<i>E</i>,2<i>E</i>)-1,2-Bis(hydroxyimino)ethane-1,2-diyl]dipyridinium hexachloridorhenate(IV)","","- C12 H12 Cl6 N4 O2 Re -","- C12 H12 Cl6 N4 O2 Re -","- C12 H12 Cl6 N4 O2 Re -","1","0.5","VN2047","Krawczyk, Monika K.; Krawczyk, Marta S.; Siczek, Miłosz; Lis, Tadeusz","2,2'-[(1<i>E</i>,2<i>E</i>)-1,2-Bis(hydroxyimino)ethane-1,2-diyl]dipyridinium hexachloridorhenate(IV)","Acta Crystallographica Section E","2012","68","9","m1174","m1175","10.1107/S1600536812035052","","","0.71073","MoKα","","0.0288","0.0254","","","0.0379","0.0385","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236680","10.4952","0.0005","10.5143","0.0005","19.3506","0.0009","82.722","0.001","82.834","0.001","81.658","0.001","2083.37","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrabutylammonium tetrakis(trimethylsilanolato-κ<i>O</i>)ferrate(III)","","- C28 H72 Fe N O4 Si4 -","- C28 H72 Fe N O4 Si4 -","- C56 H144 Fe2 N2 O8 Si8 -","2","1","VN2048","Hay, Michael; Staples, Richard; Lee, Andre","Tetrabutylammonium tetrakis(trimethylsilanolato-κ<i>O</i>)ferrate(III)","Acta Crystallographica Section E","2012","68","9","m1186","","10.1107/S1600536812035337","","","0.71073","MoKα","","0.0642","0.0406","","","0.0815","0.0877","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236681","8.1593","0.0004","11.2985","0.0005","18.9456","0.0009","77.205","0.004","84.015","0.004","89.802","0.004","1693.55","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2,9-DM-1,10-phen.Hg(SCN)2","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)mercury(II)","","- C16 H12 Hg N4 S2 -","- C16 H12 Hg N4 S2 -","- C64 H48 Hg4 N16 S8 -","4","2","VN2049","Warad, Ismail; Hadda, Taibi Ben; Hammouti, Belkheir; Haddad, Salim F.","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II)","Acta Crystallographica Section E","2012","68","10","m1259","","10.1107/S1600536812038160","","","0.71073","MoKα","","0.045","0.0325","","","0.0606","0.0657","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236682","7.7552","0.0003","16.1249","0.0008","17.7178","0.0007","75.531","0.004","85.173","0.003","88.398","0.004","2137.71","0.16","136","2","136","2","","","","","","","","5","P -1","-P 1","2","","Diaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>'){2,2'-[pyridine-2,6- diylbis(methyleneoxy)]dibenzaldehyde-κ<i>O</i>^1^}dysprosium(III)‒ 2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde (1/1)","","- C42 H38 Dy N5 O19 -","- C42 H38 Dy N5 O19 -","- C84 H76 Dy2 N10 O38 -","2","1","VN2050","Rodríguez de Luna, Sara Luisa; Elizondo, Perla; Bernès, Sylvain; Flores-Alamo, Marcos; López, Leyda E.","Diaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>'){2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde-κ<i>O</i>^1^}dysprosium(III)‒2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde (1/1)","Acta Crystallographica Section E","2012","68","10","m1239","m1240","10.1107/S160053681203680X","","","0.71073","MoKα","","0.0382","0.0304","","","0.0619","0.0662","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236683","7.1927","0.0008","37.159","0.004","17.925","0.002","90","","90","","90","","4790.9","0.9","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Lithium pentasodium nonamolybdate","","- Li Mo9 Na5 O30 -","- Li Mo9 Na5 O30 -","- Li8 Mo72 Na40 O240 -","8","0.5","VN2054","Hamza, Hamadi; Ennajeh, Ines; Zid, Mohamed Faouzi; Driss, Ahmed","LiNa~5~Mo~9~O~30~","Acta Crystallographica Section E","2012","68","11","i80","i81","10.1107/S1600536812041876","","","0.71073","MoKα","","0.035","0.0347","","","0.0954","0.0957","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236684","8.146","0.0007","8.809","0.0009","15.167","0.0013","100.434","0.001","91.106","0.001","104.482","0.002","1033.96","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-nitrobenzene-1,2-dicarboxylato)- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^; κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^,<i>O</i>^2^-bis[triaqua(6-carboxy-2- nitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^6^)neodymium(III)] dihydrate","","- C32 H30 N4 Nd2 O32 -","- C32 H30 N4 Nd2 O32 -","- C32 H30 N4 Nd2 O32 -","1","0.5","VN2055","Chang, Yin-cheng; Pei, Zhi-chao; Shuai, Qi","Bis(μ-3-nitrobenzene-1,2-dicarboxylato)-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^;κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^,<i>O</i>^2^-bis[triaqua(6-carboxy-2-nitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^6^)neodymium(III)] dihydrate","Acta Crystallographica Section E","2012","68","11","m1379","","10.1107/S1600536812042754","","","0.71073","MoKα","","0.0386","0.0334","","","0.0739","0.076","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236685","6.3133","0.0016","5.3677","0.0014","4.9685","0.0012","90","","90","","90","","168.37","0.07","295","","295","","","","","","","","","4","P m n 21","P 2ac -2","31","","dilithium manganese(II) silicate","","- Li2 Mn O4 Si -","- Li2 Mn O4 Si -","- Li4 Mn2 O8 Si2 -","2","0.5","WM2658","Sato, Mineo; Ishigaki, Tadashi; Uematsu, Kazuyoshi; Toda, Kenji; Okawa, Hirokazu","Redetermination of the low-temperature polymorph of Li~2~MnSiO~4~ from single-crystal X-ray data","Acta Crystallographica Section E","2012","68","9","i68","i69","10.1107/S1600536812035040","","","0.71069","MoKα","","0.0146","0.0145","","","0.0366","0.0366","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236686","6.2006","0.0012","9.77","0.002","11.259","0.003","90","","115.33","0.02","90","","616.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[[diaqua(μ~8~-benzene-1,2,4,5-tetracarboxylato)calciumzinc] monohydrate]","","- C10 H8 Ca O11 Zn -","- C10 H8 Ca O11 Zn -","- C20 H16 Ca2 O22 Zn2 -","2","0.5","WM2661","Jia, Yong-Yan; Chen, Bo; Yuan, Yu-Xia","Poly[[diaqua(μ~8~-benzene-1,2,4,5-tetracarboxylato)calciumzinc] monohydrate]","Acta Crystallographica Section E","2012","68","9","m1150","","10.1107/S1600536812034113","","","0.71073","MoKα","","0.0304","0.0274","","","0.0938","0.0986","","","","","","0.838","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236687","12.9161","0.0002","13.987","0.0002","21.8215","0.0003","90","","99.238","0.001","90","","3891.09","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(thiourea-κ<i>S</i>) μ~2~-oxalatobistriphenyldistannate(IV)","μ~2~-Oxalato-bis[triphenyl(thiourea-κ<i>S</i>)tin(IV)]","","- C40 H38 N4 O4 S2 Sn2 -","- C40 H38 N4 O4 S2 Sn2 -","- C160 H152 N16 O16 S8 Sn8 -","4","0.5","WM2662","Sow, Yaya; Diop, Libasse; Molloy, Kieran C.; Kociok-Kohn, Gabrielle","μ~2~-Oxalato-bis[triphenyl(thiourea-κ<i>S</i>)tin(IV)]","Acta Crystallographica Section E","2012","68","11","m1337","","10.1107/S1600536812040706","","","0.71073","MoKα","","0.0427","0.0298","","","0.0612","0.066","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236688","8.5839","0.0017","12.95","0.003","14.975","0.005","90","","114.34","0.02","90","","1516.7","0.7","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole- κ^2^<i>N</i>^1^,<i>N</i>^5^]diaquacobalt(II) bis(perchlorate)","","- C24 H24 Cl2 Co N12 O10 -","- C24 H24 Cl2 Co N12 O10 -","- C48 H48 Cl4 Co2 N24 O20 -","2","0.5","WM2664","Feng, Mi; Ji, Yu-Fei; Liang, Sheng-Li; Liu, Zhi-Liang","Bis[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]diaquacobalt(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","10","m1272","m1273","10.1107/S1600536812038573","","","0.71073","MoKα","","0.0574","0.0495","","","0.116","0.1213","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236689","11.482","0.007","17.648","0.01","20.771","0.012","90","","90","","90","","4209","4","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Acetyldicarbonyl(η^5^- cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)","","- C22 H21 Mo O3 P -","- C22 H21 Mo O3 P -","- C176 H168 Mo8 O24 P8 -","8","1","WM2666","Whited, Matthew T.; Boerma, Joseph W.; McClellan, Michael J.; Padilla, Christian E.; Janzen, Daron E.","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2012","68","9","m1158","m1159","10.1107/S1600536812034307","","","0.71075","MoKα","","","0.0318","","","","0.0723","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236690","9.5791","0.0019","20.633","0.0014","6.7649","0.0015","90","","91.687","0.001","90","","1336.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- bis[aqua(2,2'-bipyridine-κ<i>N</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","","- C22 H20 N6 O12 Pb2 -","- C22 H20 N6 O12 Pb2 -","- C44 H40 N12 O24 Pb4 -","2","0.5","WM2667","Pan, Gang-Hong; Tang, Jin-Niu; Huang, Zhong-Jing; Li, Long; Zhang, Chun-Mei","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[aqua(2,2'-bipyridine-κ<i>N</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","Acta Crystallographica Section E","2012","68","10","m1310","","10.1107/S1600536812040196","","","0.71073","MoKα","","0.0358","0.0309","","","0.0791","0.0818","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236691","13.1915","0.0006","15.789","0.0008","22.2514","0.0013","90","","101.702","0.003","90","","4538.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dioxido{4,4',6,6'-tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}molybdenum(VI)","","- C19 H16 Br4 Mo N2 O4 -","- C19 H16 Br4 Mo N2 O4 -","- C152 H128 Br32 Mo8 N16 O32 -","8","2","WM2668","Kargar, Hadi; Tahir, Muhammad Nawaz","Dioxido{4,4',6,6'-tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}molybdenum(VI)","Acta Crystallographica Section E","2012","68","10","m1297","m1298","10.1107/S1600536812039785","","","0.71073","MoKα","","0.1197","0.0483","","","0.0843","0.1011","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236692","8.9726","0.0007","10.0569","0.0008","18.3689","0.0015","82.573","0.001","83.802","0.001","82.222","0.001","1621.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(Acetonitrile-1κ<i>N</i>)[μ-<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-\ carboxamidato-1:2κ^5^<i>N</i>,<i>N</i>',<i>N</i>'':<i>O</i>,<i>O</i>']\ [<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato- 2κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(trifluoromethanesulfonato-\ 1κ<i>O</i>)dicopper(II)","","- C28 H19 Cu2 F6 N7 O10 S2 -","- C28 H19 Cu2 F6 N7 O10 S2 -","- C56 H38 Cu4 F12 N14 O20 S4 -","2","1","WM2669","Campos-Gaxiola, José J.; Morales-Morales, David; Höpfl, Herbert; Parra-Hake, Miguel; Reyes-Martínez, Reyna","Two coordination modes of Cu^II^ in a binuclear complex with <i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidate ligands","Acta Crystallographica Section E","2012","68","10","m1280","m1281","10.1107/S1600536812038330","","","0.71073","MoKα","","0.0352","0.0328","","","0.0856","0.0873","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236693","17.34","0.0009","19.4464","0.001","11.2787","0.0006","90","","96.634","0.003","90","","3777.7","0.3","293","2","293","2","","","","","","","","5","A 1 a 1","A -2ya","9","robertsite","Dicalcium trimanganese dioxide tris(phosphate) trihydrate","","- Ca2 H6 Mn3 O17 P3 -","- Ca2 Mn3 O17 P3 -","- Ca24 Mn36 O204 P36 -","12","3","WM2672","Andrade, Marcelo B.; Morrison, Shaunna M.; Di Domizio, Adrien J.; Feinglos, Mark N.; Downs, Robert T.","Robertsite, Ca~2~Mn^III^~3~O~2~(PO~4~)~3~·3H~2~O","Acta Crystallographica Section E","2012","68","10","i74","i75","10.1107/S160053681203735X","","","0.71073","MoKα","","0.0688","0.0449","","","0.0957","0.1066","","","","","","1.019","","","","has coordinates,has Fobs","287555","2023-11-12","10:38:26",""
"2236694","9.244","0.001","10.5285","0.0012","15.971","0.002","76.085","0.002","89.651","0.002","74.949","0.002","1454.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","I","(18-Crown-6)potassium [(1,2,5,6-η)-cycloocta-1,5-diene][(1,2,3,4-η)-naphthalene]ferrate(-I)","","- C30 H44 Fe K O6 -","- C30 H44 Fe K O6 -","- C60 H88 Fe2 K2 O12 -","2","1","WM2674","Brennessel, William W.; Ellis, John E.","(18-Crown-6)potassium [(1,2,5,6-η)-cycloocta-1,5-diene][(1,2,3,4-η)-naphthalene]ferrate({-}I)","Acta Crystallographica Section E","2012","68","10","m1230","m1231","10.1107/S160053681203704X","","","0.71073","MoKα","","0.0418","0.0311","","","0.069","0.0727","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236695","16.1963","0.0008","18.9088","0.0008","21.1989","0.0011","90","","93.22","0.004","90","","6482","0.5","175","","175","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibutylammonium bis(hydrogen methylphosphonato-κ<i>O</i>)triphenylstannate(IV)","","- C28 H43 N O6 P2 Sn -","- C28 H43 N O6 P2 Sn -","- C224 H344 N8 O48 P16 Sn8 -","8","2","WM2676","Diop, Tidiane; Diop, Libasse; Fall, Djibril; van der Lee, Arie","Dibutylammonium bis(hydrogen methylphosphonato-κ<i>O</i>)triphenylstannate(IV)","Acta Crystallographica Section E","2012","68","10","m1284","m1285","10.1107/S1600536812038445","","","0.71073","MoKα","","0.1015","0.0672","","0.0791","0.0674","0.0674","","","","","","0.9916","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236696","12.53","0.004","6.3056","0.0018","8.562","0.003","90","","90","","90","","676.5","0.4","293","2","293","2","","","","","","","Christmas Mine, Gila County, Arizona, USA","5","A b a 2","A 2 -2ab","41","Junitoite","calcium dizinc disilicate monohydrate","Junitoite","- Ca H2 O8 Si2 Zn2 -","- Ca H2 O8 Si2 Zn2 -","- Ca4 H8 O32 Si8 Zn8 -","4","","WM2677","Yang, Hexiong; Jenkins, Neil G.; Downs, Robert T.","Redetermination of junitoite, CaZn~2~Si~2~O~7~·H~2~O","Acta Crystallographica Section E","2012","68","10","i73","i73","10.1107/S1600536812037622","","","0.71073","MoKα","","0.0189","0.0173","","","0.0426","0.0436","","","","","","1.066","","","","has coordinates,has Fobs","287670","2023-11-17","14:28:49",""
"2236697","11.6491","0.0005","4.9175","0.0002","4.6746","0.0002","90","","90","","90","","267.78","0.02","293","2","293","2","","","","","","","Yukspor Mountain, Khibiny Massif, Kola Peninsula, Russia","4","P m n 21","P 2ac -2","31","Clinobarylite","Barium diberyllium disilicate","Barylite","- Ba Be2 O7 Si2 -","- Ba Be2 O7 Si2 -","- Ba2 Be4 O14 Si4 -","2","0.5","WM2678","Domizio, Adrien J. Di; Downs, Robert T.; Yang, Hexiong","Redetermination of clinobarylite, BaBe~2~Si~2~O~7~","Acta Crystallographica Section E","2012","68","10","i78","i79","10.1107/S1600536812040457","","","0.71073","MoKα","","0.0114","0.011","","","0.0259","0.026","","","","","","1.078","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:40",""
"2236698","14.1153","0.0012","8.8505","0.0008","13.5704","0.0011","90","","111.761","0.002","90","","1574.5","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diammonium [(μ~4~-butane-1,2,3,4-tetracarboxylato)zincate] tetrahydrate]","","- C8 H22 N2 O12 Zn -","- C8 H22 N2 O12 Zn -","- C32 H88 N8 O48 Zn4 -","4","0.5","WM2679","Jin, Shouwen; Huang, Yanfei; Wei, Shuaishuai; Zhou, Yong; Zhou, Yingping","Poly[diammonium [(μ~4~-butane-1,2,3,4-tetracarboxylato)zincate] tetrahydrate]","Acta Crystallographica Section E","2012","68","10","m1268","m1269","10.1107/S1600536812038883","","","0.71073","MoKα","","0.0656","0.0587","","","0.1483","0.1556","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236699","9.8405","0.0002","4.7502","0.0001","19.1008","0.0004","90","","90","","90","","892.85","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","dibarium tritelluridocadmate","","- Ba2 Cd Te3 -","- Ba2 Cd Te3 -","- Ba8 Cd4 Te12 -","4","0.5","WM2681","Yang, Min; Xia, Sheng-Qing; Tao, Xu-Tang","Redetermination of Ba~2~CdTe~3~ from single-crystal X-ray data","Acta Crystallographica Section E","2012","68","10","i77","","10.1107/S1600536812038974","","","0.71073","MoKα","","0.0393","0.0249","","","0.038","0.0406","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236700","18.6794","0.0004","7.5317","0.0002","21.9757","0.0005","90","","90","","90","","3091.71","0.13","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate","","- C12 H18 Cu N4 O5 S -","- C12 H16 Cu N4 O5 S -","- C96 H128 Cu8 N32 O40 S8 -","8","1","WM2682","Djebli, Yacine; Boufas, Sihem; Bencharif, Leila; Roisnel, Thierry; Bencharif, Mustafa","Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate","Acta Crystallographica Section E","2012","68","11","m1411","m1412","10.1107/S1600536812041967","","","0.71073","MoKα","","0.047","0.0343","","","0.09","0.0966","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236701","7.045","0.0007","13.1609","0.0014","12.5545","0.0012","90","","101.153","0.008","90","","1142.1","0.2","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[(μ-anilido)(μ-1,2-dimethoxyethane- κ^3^-<i>O</i>,<i>O</i>':<i>O</i>)sodium]","","- C10 H16 N Na O2 -","- C10 H16 N Na O2 -","- C40 H64 N4 Na4 O8 -","4","1","WM2683","Liebing, Phil; Wagner, Christoph; Merzweiler, Kurt","<i>catena</i>-Poly[(μ-anilido)(μ-1,2-dimethoxyethane-κ^3^-<i>O</i>,<i>O</i>':<i>O</i>)sodium]","Acta Crystallographica Section E","2012","68","10","m1315","","10.1107/S1600536812040500","","","0.71073","MoKα","","0.0526","0.0326","","","0.0746","0.0783","","","","","","0.852","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236702","9.9371","0.0004","10.3072","0.0004","10.444","0.0005","99.624","0.004","90.54","0.003","97.895","0.004","1044.09","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-(3-acetyl-2-hydroxy-6-methyl-4<i>H</i>-pyran-4-one-κ^3^<i>O</i>: <i>O</i>',<i>O</i>'')]diaquatetrakis(pyridine-κ<i>N</i>)dicopper(II) diperchlorate","","- C36 H38 Cl2 Cu2 N4 O18 -","- C36 H38 Cl2 Cu2 N4 O18 -","- C36 H38 Cl2 Cu2 N4 O18 -","1","0.5","WM2685","Ourari, Ali; Derafa, Wassila; Bouacida, Sofiane; Aggoun, Djouhra; Daran, Jean-Claude","Bis[μ-(3-acetyl-2-hydroxy-6-methyl-4<i>H</i>-pyran-4-one-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'')]diaquatetrakis(pyridine-κ<i>N</i>)dicopper(II) diperchlorate","Acta Crystallographica Section E","2012","68","11","m1356","m1357","10.1107/S1600536812041608","","","0.71073","MoKα","","0.0656","0.0537","","","0.1351","0.1397","","","","","","1.123","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236703","8.7443","0.0017","18.144","0.004","16.643","0.003","90","","99.23","0.03","90","","2606.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κ<i>N</i>,<i>O</i>:<i>O</i>) -dichlorido(ethanol-κ<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine- κ^2^<i>N</i>,<i>N</i>']dicobalt(II)","","- C20 H22 Cl3 Co2 N5 O5 -","- C20 H22 Cl3 Co2 N5 O5 -","- C80 H88 Cl12 Co8 N20 O20 -","4","1","WM2687","Chen, Lei","(μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κ<i>N</i>,<i>O</i>:<i>O</i>)-dichlorido(ethanol-κ<i>O</i>)bis[<i>N</i>-hydroxy-1-(pyridin-2-yl)methanimine-κ^2^<i>N</i>,<i>N</i>']dicobalt(II)","Acta Crystallographica Section E","2012","68","11","m1365","m1366","10.1107/S1600536812041736","","","0.71073","MoKα","","0.0684","0.0355","","","0.1226","0.1652","","","","","","1.181","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236704","4.966","0.002","4.966","0.002","24.37","0.01","90","","90","","120","","520.5","0.4","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Disprosium trinickel","","- Dy Ni3 -","- Dy Ni3 -","- Dy9 Ni27 -","9","0.25","WM2688","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Redetermination of dysprosium trinickel from single-crystal X-ray data","Acta Crystallographica Section E","2012","68","11","i83","","10.1107/S1600536812043747","","","0.71069","MoKα","","0.0302","0.0224","","","0.0423","0.0434","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236705","6.5789","0.0005","8.5071","0.0006","7.0212","0.0005","90","","115.447","0.004","90","","354.83","0.05","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Durangite","Sodium aluminium arsenate fluoride","","- Al0.91 As F0.73 Fe0.09 H0.27 Li0.05 Na0.95 O4.27 -","- Al0.91 As F0.73 Fe0.09 Li0.05 Na0.95 O4.27 -","- Al3.64 As4 F2.92 Fe0.36 Li0.2 Na3.8 O17.08 -","4","0.5","WM2690","Downs, Gordon W.; Yang, Betty N.; Thompson, Richard M.; Wenz, Michelle D.; Andrade, Marcelo B.","Redetermination of durangite, NaAl(AsO~4~)F","Acta Crystallographica Section E","2012","68","11","i86","i87","10.1107/S160053681204384X","","","0.71073","MoKα","","0.0126","0.0125","","","0.0325","0.0326","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236706","11.8847","0.0002","18.2884","0.0003","15.3949","0.0002","90","","107.38","0.001","90","","3193.35","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[dibutylammonium [nonamethylbis(μ~3~-sulfato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')tristannate(IV)]]","","- C17 H47 N O8 S2 Sn3 -","- C17 H47 N O8 S2 Sn3 -","- C68 H188 N4 O32 S8 Sn12 -","4","1","WM2692","Diop, Tidiane; Diop, Libasse; van der Lee, Arie","Poly[dibutylammonium [nonamethylbis(μ~3~-sulfato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')tristannate(IV)]]","Acta Crystallographica Section E","2012","68","11","m1380","m1381","10.1107/S1600536812042894","","","0.71073","MoKα","","0.0278","0.0202","","","0.0411","0.0445","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236707","8.9008","0.0006","11.2078","0.0006","16.5565","0.0009","90","","102.147","0.006","90","","1614.67","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl- κ<i>N</i>)benzenesulfonamidato-κ<i>N</i>]bis(<i>N</i>,<i>N</i>- dimethylformamide-κ<i>O</i>)cobalt(II)","","- C26 H32 Co N10 O6 S2 -","- C26 H32 Co N10 O6 S2 -","- C52 H64 Co2 N20 O12 S4 -","2","0.5","WM2693","Guo, Jing Jing; Wang, Wei; Zhang, Yi Dong; Yang, Li; Zhang, Shu Hua","<i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-κ<i>N</i>)benzenesulfonamidato-κ<i>N</i>]bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1398","m1399","10.1107/S160053681204336X","","","0.71073","MoKα","","0.0482","0.0399","","","0.0901","0.0954","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236708","14.1389","0.0019","10.3358","0.0015","11.3552","0.0015","90","","103.426","0.008","90","","1614.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Isobutylphenyl)-1-(morpholin-4-yl)propan-1-one","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","WN2484","Nasirullah; Islam, Nazar Ul; Tahir, M. Nawaz; Khan, Ikhtiar; Zulfiqar, Muhammad","2-(4-Isobutylphenyl)-1-(morpholin-4-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2637","","10.1107/S1600536812033442","","","0.71073","MoKα","","0.1699","0.0624","","","0.1183","0.1588","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236709","9.774","0.005","10.698","0.005","21.578","0.005","90","0.005","93.735","0.005","90","0.005","2251.5","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2'-[(4-Ethoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","WN2485","Sureshbabu, N.; Sughanya, V.","2,2'-[(4-Ethoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2012","68","9","o2638","","10.1107/S1600536812033934","","","0.71073","MoKα","","0.0568","0.0416","","","0.1095","0.1221","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236710","7.1775","0.0011","8.1099","0.0013","12.49","0.002","103.529","0.015","91.933","0.014","106.971","0.014","672","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Dihydropyrimidin-2(1H)-thione","1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin- 5-yl]ethanone","","- C13 H13 F N2 O S -","- C13 H13 F N2 O S -","- C26 H26 F2 N4 O2 S2 -","2","1","WN2486","Anuradha, N.; Thiruvalluvar, A.; Chitra, S.; Devanathan, D.; Butcher, R. J.","1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone","Acta Crystallographica Section E","2012","68","9","o2625","","10.1107/S1600536812033727","","","1.54184","CuKα","","0.0937","0.0796","","","0.2198","0.2327","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236711","26.8413","0.0005","9.5657","0.0002","12.0764","0.0002","90","","90.37","0.002","90","","3100.62","0.1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dihydropyrimidin-2(1H)-thione","1-[4-(4-Isopropylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4- tetrahydropyrimidin-5-yl]ethanone","","- C16 H20 N2 O S -","- C16 H20 N2 O S -","- C128 H160 N16 O8 S8 -","8","1","WN2487","Anuradha, N.; Thiruvalluvar, A.; Chitra, S.; Devanathan, D.; Falola, Oluwaseun O.; Butcher, R.J.","1-[4-(4-Isopropylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone","Acta Crystallographica Section E","2012","68","9","o2641","","10.1107/S1600536812034046","","","1.54184","CuKα","","0.0449","0.0414","","","0.1095","0.1134","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236712","7.4057","0.0009","5.91","0.0007","25.165","0.003","90","","93.402","0.003","90","","1099.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2-phenyl-1,3-benzothiazole","","- C13 H8 Cl N S -","- C13 H8 Cl N S -","- C52 H32 Cl4 N4 S4 -","4","1","WN2488","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmed, Shakil","5-Chloro-2-phenyl-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","9","o2799","","10.1107/S1600536812036057","","","0.71073","MoKα","","0.0426","0.0347","","","0.0871","0.0928","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236713","8.323","0.005","10.002","0.005","30.068","0.005","90","","90","","90","","2503","2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-[4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenyl]-1<i>H</i>-benzimidazole","","- C15 H11 N5 -","- C15 H11 N5 -","- C120 H88 N40 -","8","1","XU5598","Cheng, Long-Huai; Zheng, Zheng; Han, Zhi-Li; Wu, Zhi-Chao; Zhou, Hong-Ping","2-[4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","10","o2890","","10.1107/S1600536812037816","","","0.71069","MoKα","","0.0743","0.049","","","0.1462","0.1711","","","","","","1.147","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236714","8.1617","0.0002","18.3365","0.0004","9.7047","0.0003","90","","103.573","0.003","90","","1411.81","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(2-iodobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","","- C26 H24 Cu I2 N4 O8 -","- C26 H24 Cu I2 N4 O8 -","- C52 H48 Cu2 I4 N8 O16 -","2","0.5","XU5599","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(2-iodobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section E","2012","68","9","m1162","m1163","10.1107/S1600536812034587","","","0.71073","MoKα","","0.023","0.0212","","","0.0574","0.0582","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236715","7.6268","0.0009","18.277","0.002","15.1626","0.0018","90","","96.948","0.002","90","","2098.1","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>cis</i>-Dibromidobis(2-phenylpyridine-κ<i>N</i>)platinum(II)","","- C22 H18 Br2 N2 Pt -","- C22 H18 Br2 N2 Pt -","- C88 H72 Br8 N8 Pt4 -","4","1","XU5600","Ha, Kwang","<i>cis</i>-Dibromidobis(2-phenylpyridine-κ<i>N</i>)platinum(II)","Acta Crystallographica Section E","2012","68","9","m1169","","10.1107/S160053681203471X","","","0.71073","MoKα","","0.0347","0.0276","","","0.0626","0.068","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236716","12.3996","0.0002","21.0115","0.0004","26.7059","0.0005","90","","90","","90","","6957.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[{1-[(<i>E</i>)-phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)]- μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] monohydrate]","","- C15 H13 Cu N7 O2 -","- C15 H13 Cu N7 O2 -","- C240 H208 Cu16 N112 O32 -","16","2","XU5601","Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng","<i>catena</i>-Poly[[[{1-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)]-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] monohydrate]","Acta Crystallographica Section E","2012","68","9","m1176","","10.1107/S1600536812035283","","","0.71073","MoKα","","0.0933","0.0497","","","0.1263","0.1664","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236717","7.1265","0.0009","9.5249","0.0014","18.654","0.002","90","","97.24","0.004","90","","1256.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[silver(I)-μ-2-[(pyrazin-2-yl- κ^2^<i>N</i>^1^:<i>N</i>^4^)aminomethyl]phenol] nitrate]","","- C11 H11 Ag N4 O4 -","- C11 H11 Ag N4 O4 -","- C44 H44 Ag4 N16 O16 -","4","1","XU5602","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[silver(I)-μ-2-[(pyrazin-2-yl-κ^2^<i>N</i>^1^:<i>N</i>^4^)aminomethyl]phenol] nitrate]","Acta Crystallographica Section E","2012","68","9","m1171","","10.1107/S1600536812034769","","","0.71073","MoKα","","0.0651","0.0426","","","0.1074","0.1252","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236718","13.9414","0.0014","7.6013","0.0008","13.8261","0.0015","90","","113.011","0.002","90","","1348.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,3-Trimethyl-1-[4-(2,3,3-trimethyl-3<i>H</i>-indol-1-ium-1-yl)butyl]- 3<i>H</i>-indol-1-ium diiodide","","- C26 H34 I2 N2 -","- C26 H34 I2 N2 -","- C52 H68 I4 N4 -","2","0.5","XU5603","Wu, Di; Shen, Li-Xia; Niu, Yun-Yin; Ng, Seik Weng","2,3,3-Trimethyl-1-[4-(2,3,3-trimethyl-3<i>H</i>-indol-1-ium-1-yl)butyl]-3<i>H</i>-indol-1-ium diiodide","Acta Crystallographica Section E","2012","68","9","o2714","","10.1107/S1600536812035234","","","0.71073","MoKα","","0.0328","0.0268","","","0.0824","0.087","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236719","10.054","0.002","12.329","0.003","13.908","0.003","99.77","0.03","92.17","0.03","95.98","0.03","1687","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyclohexylaminium) 2-carboxymethyl-2-hydroxysuccinate ethanol monosolvate","","- C32 H60 N2 O8 -","- C32 H60 N2 O8 -","- C64 H120 N4 O16 -","2","1","XU5604","Foroughian, Mahsa; Notash, Behrouz; Shafiee, Abbas; Aghabozorg, Hossein; Foroumadi, Alireza","Bis(dicyclohexylaminium) 2-carboxymethyl-2-hydroxysuccinate ethanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2792","o2793","10.1107/S1600536812035684","","","0.71073","MoKα","","0.0889","0.0626","","","0.1257","0.1362","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236720","7.3661","0.0004","9.5504","0.0005","12.8501","0.0007","90","","90","","90","","903.99","0.08","135","0.1","135","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pyrrolidine-2,5-dione","","- C4 H5 N O2 -","- C4 H5 N O2 -","- C32 H40 N8 O16 -","8","1","XU5605","Yu, Min; Huang, Xing; Gao, Feng","Pyrrolidine-2,5-dione","Acta Crystallographica Section E","2012","68","9","o2738","","10.1107/S1600536812035672","","","0.7107","MoKα","","0.0506","0.0392","","","0.0891","0.0969","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236721","13.6224","0.0003","4.1923","0.0002","10.218","0.0003","90","","90","","90","","583.54","0.04","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Poly[(μ~5~-2,2'-bipyridine-5,5'-dicarboxylato)lead(II)]","","- C12 H6 N2 O4 Pb -","- C12 H6 N2 O4 Pb -","- C24 H12 N4 O8 Pb2 -","2","0.5","XU5606","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Çevik, Sabri; Necefoğlu, Hacali; Hökelek, Tuncer","Poly[(μ~5~-2,2'-bipyridine-5,5'-dicarboxylato)lead(II)]","Acta Crystallographica Section E","2012","68","9","m1196","m1197","10.1107/S1600536812035647","","","0.71073","MoKα","","0.0191","0.0186","","","0.0544","0.0549","","","","","","1.24","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236722","27.1839","0.0015","10.2809","0.0005","18.7045","0.0011","90","","107.92","0.01","90","","4973.8","0.5","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'- dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione","","- C30 H27 F2 N3 O2 -","- C30 H27 F2 N3 O2 -","- C240 H216 F16 N24 O16 -","8","2","XU5607","Swamy, V. Rajni; Ramaswamy, S.; Srinivasan, N.; Kumar, R. Ranjith; Krishnakumar, R.V.","5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'-dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione","Acta Crystallographica Section E","2012","68","10","o2839","o2840","10.1107/S1600536812037245","","","0.71073","MoKα","","0.0564","0.0381","","","0.0907","0.1","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236723","4.483","0.006","12.521","0.018","13.71","0.02","90","","90","","90","","769.6","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Chloromethyl-2-hydroxybenzaldehyde","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","XU5608","Fu, Wei-Wei","3-Chloromethyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2012","68","10","o2928","","10.1107/S1600536812038421","","","0.71073","MoKα","","0.0619","0.0334","","","0.1108","0.133","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236724","10.3684","0.0002","15.0571","0.0003","10.0976","0.0002","90","","103.832","0.002","90","","1530.7","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-(3-aminopyridine)-κ^2^<i>N</i>:<i>N</i>'-μ-chlorido- chlorido(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)nickel(II)] <i>N</i>,<i>N</i>'-dimethylformamide monosolvate]","","- C11 H20 Cl2 N4 Ni O2 -","- C11 H20 Cl2 N4 Ni O2 -","- C44 H80 Cl8 N16 Ni4 O8 -","4","1","XU5609","Yeh, Chun-Wei; Jou, Chi-Hsiung; Tsou, Chi-Hui; Suen, Maw-Cherng","Poly[[μ-(3-aminopyridine)-κ^2^<i>N</i>:<i>N</i>'-μ-chlorido-chlorido(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)nickel(II)] <i>N</i>,<i>N</i>'-dimethylformamide monosolvate]","Acta Crystallographica Section E","2012","68","9","m1204","m1205","10.1107/S1600536812036215","","","0.71073","MoKα","","0.0313","0.0248","","","0.0569","0.0579","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236725","11.8413","0.0006","14.2791","0.0007","13.5751","0.0006","90","","102.501","0.002","90","","2240.9","0.19","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[(2-Carbamoylhydrazin-1-ylidene)methyl-κ^2^<i>N</i>^1^,<i>O</i>]- 5-methoxyphenolato-κ<i>O</i>^1^}chloridocopper(II)","","- C9 H10 Cl Cu N3 O3 -","- C9 H10 Cl Cu N3 O3 -","- C72 H80 Cl8 Cu8 N24 O24 -","8","2","XU5610","Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng","{2-[(2-Carbamoylhydrazin-1-ylidene)methyl-κ^2^<i>N</i>^1^,<i>O</i>]-5-methoxyphenolato-κ<i>O</i>^1^}chloridocopper(II)","Acta Crystallographica Section E","2012","68","9","m1194","","10.1107/S160053681203574X","","","0.71073","MoKα","","0.0725","0.0402","","","0.0939","0.1097","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236726","11.2462","0.0012","7.2344","0.001","18.519","0.002","90","","96.653","0.005","90","","1496.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1'^-bis({1-[(<i>E</i>)-phenyl(pyridin- 2-yl-κ<i>N</i>)methylidene]thiosemicarbazidato- κ^2^<i>N</i>^1^,<i>S</i>}copper(II))","","- C26 H22 Cu2 N14 S2 -","- C26 H22 Cu2 N14 S2 -","- C52 H44 Cu4 N28 S4 -","2","0.5","XU5611","Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng","Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1'^-bis({1-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}copper(II))","Acta Crystallographica Section E","2012","68","9","m1195","","10.1107/S1600536812035751","","","0.71073","MoKα","","0.0587","0.0448","","","0.1218","0.1337","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236727","8.734","0.0017","9.871","0.002","15","0.003","76.14","0.03","83.91","0.03","83.09","0.03","1242.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 3,3'-(phenylmethylene)bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C58 H52 N4 O8 -","2","1","XU5612","Sun, Hong-Shun; Li, Yu-Long; Xu, Ning; Xu, Hong; Zhang, Ji-Dong","Diethyl 3,3'-(phenylmethylene)bis(1<i>H</i>-indole-2-carboxylate)","Acta Crystallographica Section E","2012","68","9","o2764","","10.1107/S1600536812036239","","","0.71073","MoKα","","0.1013","0.0587","","","0.1283","0.1444","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236728","7.8102","0.0012","30.032","0.005","8.2054","0.0013","90","","103.739","0.002","90","","1869.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorobenzoyl)-6-(4-chlorophenyl)-2,4-dimethylbenzonitrile","","- C22 H15 Cl2 N O -","- C22 H15 Cl2 N O -","- C88 H60 Cl8 N4 O4 -","4","1","XU5613","Wang, Xin; Zhang, Yi-Min; Jia, Xue-Fei","3-(4-Chlorobenzoyl)-6-(4-chlorophenyl)-2,4-dimethylbenzonitrile","Acta Crystallographica Section E","2012","68","9","o2787","","10.1107/S1600536812036409","","","0.71073","MoKα","","0.1018","0.0472","","","0.0928","0.1205","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236729","9.7188","0.0016","10.8189","0.0018","11.5132","0.0019","75.5","0.003","68.681","0.003","84.315","0.003","1091.8","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","3-(9<i>H</i>-Fluoren-9-yl)-3-(4-methylphenyl)-1-phenylpropan-1-one","","- C29 H24 O -","- C29 H24 O -","- C58 H48 O2 -","2","1","XU5614","Hu, Wei-Bing; Cui, Zhi-Cai; Liu, Xin-Ping; Feng, Fu","3-(9<i>H</i>-Fluoren-9-yl)-3-(4-methylphenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2012","68","9","o2820","","10.1107/S1600536812036847","","","0.71073","MoKα","","0.0724","0.0486","","","0.128","0.1382","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236730","16.4392","0.0005","7.2726","0.0002","15.8433","0.0005","90","","108.652","0.001","90","","1794.67","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclohexyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C22 H24 O2 S -","- C22 H24 O2 S -","- C88 H96 O8 S4 -","4","1","XU5615","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2836","","10.1107/S1600536812037294","","","0.71073","MoKα","","0.0827","0.0635","","","0.1879","0.2041","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236731","8.1685","0.0016","10.452","0.002","12.231","0.002","69.58","0.03","79.94","0.03","72.42","0.03","930.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κ^2^<i>O</i>,<i>O</i>')(acetato-κ<i>O</i>)bis(2-amino-3- methylpyridine-κ<i>N</i>^1^)cobalt(II)","","- C16 H22 Co N4 O4 -","- C16 H22 Co N4 O4 -","- C32 H44 Co2 N8 O8 -","2","1","XU5616","Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz","(Acetato-κ^2^<i>O</i>,<i>O</i>')(acetato-κ<i>O</i>)bis(2-amino-3-methylpyridine-κ<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section E","2012","68","10","m1260","m1261","10.1107/S1600536812038664","","","0.71073","MoKα","","0.113","0.051","","","0.0822","0.0955","","","","","","0.918","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236732","8.2667","0.0004","12.9008","0.0007","13.5579","0.0008","84.047","0.005","77.566","0.005","71.684","0.005","1339.45","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","4-(Naphthalene-2-carboxamido)pyridin-1-ium thiocyanate‒ <i>N</i>-(pyridin-4-yl)naphthalene-2-carboxamide (1/1)","","- C33 H25 N5 O2 S -","- C33 H25 N5 O2 S -","- C66 H50 N10 O4 S2 -","2","1","XU5617","Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan","4-(Naphthalene-2-carboxamido)pyridin-1-ium thiocyanate‒<i>N</i>-(pyridin-4-yl)naphthalene-2-carboxamide (1/1)","Acta Crystallographica Section E","2012","68","10","o3002","","10.1107/S1600536812039864","","","1.54178","CuKα","","0.0518","0.047","","","0.1321","0.1369","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236733","10.1103","0.0007","11.702","0.0008","15.706","0.0011","71.54","0.03","75.05","0.03","71.37","0.03","1644.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Diphenylphosphanyl-1,5-naphthyridine","","- C20 H15 N2 P -","- C20 H15 N2 P -","- C80 H60 N8 P4 -","4","2","XU5619","Wu, Ya-Ming","4-Diphenylphosphanyl-1,5-naphthyridine","Acta Crystallographica Section E","2012","68","10","o3011","","10.1107/S1600536812039992","","","0.71073","MoKα","","0.0694","0.0473","","","0.1331","0.1511","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236734","10.7893","0.0007","10.873","0.0006","9.2407","0.0006","90","","109.022","0.007","90","","1024.85","0.12","297","2","297","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Pentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene","","- C14 H16 -","- C14 H16 -","- C56 H64 -","4","1","XU5620","Tsai, Hsing-Yang; Luo, Ming-Hui; Lin, Wei-Chi; Chang, Che-Wei; Chen, Kew-Yu","Pentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene","Acta Crystallographica Section E","2012","68","10","o2945","","10.1107/S1600536812038780","","","0.71073","MoKα","","0.0742","0.0534","","","0.1483","0.1574","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236735","7.5523","0.0008","8.4635","0.0009","17.5004","0.0017","103.282","0.007","91.659","0.007","108.382","0.007","1026.89","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,3-Dimethylphenyl)-4-methyl-<i>N</i>-(4- methylphenylsulfonyl)benzenesulfonamide","","- C22 H23 N O4 S2 -","- C22 H23 N O4 S2 -","- C44 H46 N2 O8 S4 -","2","1","XU5622","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","<i>N</i>-(2,3-Dimethylphenyl)-4-methyl-<i>N</i>-(4-methylphenylsulfonyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o3013","","10.1107/S1600536812039773","","","0.71073","MoKα","","0.13","0.0548","","","0.1035","0.129","","","","","","0.959","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236736","11.8883","0.0003","13.3578","0.0003","23.9669","0.0006","90","","98.596","0.001","90","","3763.23","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1-{(<i>E</i>)-[Phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]amino- κ<i>N</i>}pyrrolidin-2-one-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II)","","- C18 H15 Cu N5 O S2 -","- C18 H15 Cu N5 O S2 -","- C144 H120 Cu8 N40 O8 S16 -","8","1","XU5623","Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng","(1-{(<i>E</i>)-[Phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]amino-κ<i>N</i>}pyrrolidin-2-one-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2012","68","10","m1302","","10.1107/S1600536812039918","","","0.71073","MoKα","","0.0806","0.0643","","","0.1608","0.1686","","","","","","1.159","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236737","13.0169","0.0006","8.5548","0.0003","15.9964","0.0008","90","","93.393","0.004","90","","1778.19","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Trichlorido(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethyl sulfoxide-κ<i>O</i>)indium (III)","","- C13 H16 Cl3 In N2 O S -","- C13 H16 Cl3 In N2 O S -","- C52 H64 Cl12 In4 N8 O4 S4 -","4","1","XU5625","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Golabi, Elyas; Gholamzadeh, Mohammad Amin","Trichlorido(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethylsulfoxide-κ<i>O</i>)indium(III)","Acta Crystallographica Section E","2012","68","11","m1327","m1328","10.1107/S1600536812041049","","","0.71073","MoKα","","0.0468","0.0334","","","0.0721","0.0757","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236738","5.0913","0.001","11.769","0.002","12.268","0.003","91.058","0.016","94.541","0.016","101.648","0.015","717.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(2-Phenoxyphenyl)pyrazine-2-carboxamide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C34 H26 N6 O4 -","2","1","XU5626","Noroozi Tisseh, Mehri; Kargar Razi, Maryam; Khavasi, Hamid Reza","<i>N</i>-(2-Phenoxyphenyl)pyrazine-2-carboxamide","Acta Crystallographica Section E","2012","68","11","o3161","","10.1107/S1600536812041050","","","0.71073","MoKα","","0.0984","0.0618","","","0.1209","0.1324","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236739","9.8457","0.0005","10.0057","0.0005","12.5185","0.0006","72.413","0.005","78.428","0.004","89.129","0.004","1150.34","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3-(3,5-Dinitrobenzoyl)-1,1-dimethylthiourea‒<i>N</i>,<i>N</i>-dimethyl- 3,5-dinitrobenzamide (1/1)","","- C19 H19 N7 O10 S -","- C19 H19 N7 O10 S -","- C38 H38 N14 O20 S2 -","2","1","XU5627","Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan","A co-crystal of 3-(3,5-dinitrobenzoyl)-1,1-dimethylthiourea and <i>N</i>,<i>N</i>-dimethyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","11","o3108","","10.1107/S1600536812041864","","","1.54184","CuKα","","0.0456","0.0408","","","0.1084","0.1132","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236740","13.589","0.0006","8.616","0.0003","13.9435","0.0006","90","","116.738","0.006","90","","1457.98","0.13","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-Hydroxyindan-1-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C72 H64 O16 -","8","1","XU5628","Chang, Che-Wei; Fang, Sin-Kai; Luo, Ming-Hui; Tsai, Hsing-Yang; Chen, Kew-Yu","4-Hydroxyindan-1-one","Acta Crystallographica Section E","2012","68","11","o3097","","10.1107/S1600536812041669","","","0.71073","MoKα","","0.057","0.0399","","","0.11","0.115","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236741","7.655","0.0006","10.2577","0.0009","18.003","0.0016","90","","95.779","0.007","90","","1406.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromido(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C12 H12 Br2 Co N2 -","- C12 H12 Br2 Co N2 -","- C48 H48 Br8 Co4 N8 -","4","1","XU5630","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali","Dibromido(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1363","","10.1107/S1600536812041980","","","0.71073","MoKα","","0.0879","0.0451","","","0.0807","0.0894","","","","","","0.95","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236742","7.0314","0.0014","7.3569","0.0015","11.564","0.002","86.41","0.03","77.75","0.03","64.8","0.03","528.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(6-chloropyridine-3-carboxylato-κ<i>O</i>)cobalt(II) tetrahydrate","","- C12 H22 Cl2 Co N2 O12 -","- C12 H22 Cl2 Co N2 O12 -","- C12 H22 Cl2 Co N2 O12 -","1","0.5","XU5631","Xia, Qiao-Hua; Zhang, Yue; Liu, Li; Shi, Lin-Fang; Li, Bing","Tetraaquabis(6-chloropyridine-3-carboxylato-κ<i>O</i>)cobalt(II) tetrahydrate","Acta Crystallographica Section E","2012","68","11","m1394","","10.1107/S160053681204319X","","","0.71073","MoKα","","0.0355","0.0292","","","0.0709","0.0848","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236743","7.3596","0.0005","16.4625","0.001","11.2599","0.0006","90","","94.955","0.005","90","","1359.12","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-[(<i>E</i>)-{[4-nitro-2-(trifluoromethyl)phenyl]imino}methyl]phenol","","- C14 H8 Br F3 N2 O3 -","- C14 H8 Br F3 N2 O3 -","- C56 H32 Br4 F12 N8 O12 -","4","1","XU5632","Akkurt, Mehmet; Kennedy, Alan R.; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Miller, Gary J.","4-Bromo-2-[(<i>E</i>)-{[4-nitro-2-(trifluoromethyl)phenyl]imino}methyl]phenol","Acta Crystallographica Section E","2012","68","11","o3168","","10.1107/S1600536812042262","","","0.71073","MoKα","","0.0895","0.0501","","","0.077","0.09","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236744","10.286","0.002","15.034","0.003","9.621","0.002","90","","109.022","0.004","90","","1406.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-Dichloro-3,6-diisopropylcyclohexa-2,5-diene-1,4-dione","","- C12 H14 Cl2 O4 -","- C12 H14 Cl2 O4 -","- C48 H56 Cl8 O16 -","4","0.5","YK2064","Li, Ping; Wang, Hai; Dong, Jian; Chen, Hong-Yu","2,5-Dichloro-3,6-diisopropylcyclohexa-2,5-diene-1,4-dione","Acta Crystallographica Section E","2012","68","9","o2672","","10.1107/S1600536812032886","","","0.71069","MoKα","","0.1001","0.0591","","","0.1763","0.1983","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236745","12.1028","0.0005","16.3934","0.0007","7.0962","0.0003","90","","90","","90","","1407.93","0.1","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-dioxide","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C64 H52 N12 O8 S4 -","4","1","YK2066","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Zia-ur-Rehman, Muhammad; Parvez, Masood","4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-dioxide","Acta Crystallographica Section E","2012","68","9","o2615","o2616","10.1107/S1600536812033284","","","0.71073","MoKα","","0.0556","0.0485","","","0.1045","0.1118","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236746","4.973","0.0004","13.5721","0.0012","24.907","0.002","90","","90.921","0.004","90","","1680.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxy-3-methoxybenzylidene]-4- methoxybenzohydrazide monohydrate","","- C16 H17 Br N2 O5 -","- C16 H17 Br N2 O5 -","- C64 H68 Br4 N8 O20 -","4","1","YK2067","Reshma, P. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","10","o2821","o2822","10.1107/S1600536812033806","","","0.71073","MoKα","","0.0513","0.035","","","0.0875","0.0942","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236747","12.8518","0.0009","7.8501","0.0005","24.1316","0.0018","90","","101.593","0.003","90","","2384.9","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Hydroxy-2-{(<i>E</i>)-[(3-nitrophenyl)iminio]methyl}phenolate","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C104 H80 N16 O32 -","8","1","YK2068","Shaheen, Muhammad Ashraf; Tahir, M. Nawaz; Irfan, Rana Muhammad; Iqbal, Shahid; Ahmad, Saeed","5-Hydroxy-2-{(<i>E</i>)-[(3-nitrophenyl)iminio]methyl}phenolate","Acta Crystallographica Section E","2012","68","9","o2622","","10.1107/S1600536812033740","","","0.71073","MoKα","","0.0577","0.0384","","","0.0922","0.1046","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236748","13.027","0.0009","10.1183","0.0006","7.7159","0.0005","90","","91.974","0.003","90","","1016.44","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine","","- C9 H6 Cl2 N2 S -","- C9 H6 Cl2 N2 S -","- C36 H24 Cl8 N8 S4 -","4","1","YK2069","Babar, Ayesha; Munawar, Munawar Ali; Tahir, M. Nawaz; Ullah, Fateh; Tariq, Muhammad Ilyas","<i>N</i>-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2012","68","9","o2704","","10.1107/S1600536812035301","","","0.71073","MoKα","","0.0339","0.0286","","","0.0759","0.0799","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236749","18.6899","0.0006","14.4941","0.0004","16.7485","0.0005","90","","95.266","0.002","90","","4517.9","0.2","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl- 2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate","","- C91 H94 N16 O9 -","- C91 H94 N16 O9 -","- C182 H188 N32 O18 -","2","0.25","YK2072","Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.","2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate","Acta Crystallographica Section E","2012","68","10","o2991","o2992","10.1107/S1600536812039736","","","0.71073","MoKα","","0.0595","0.0469","","","0.1264","0.1381","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236750","12.1757","0.0013","10.6173","0.0011","17.5211","0.0014","90","","128.098","0.005","90","","1782.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(Dimethylamino)phenyl]diphenylphosphine selenide","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C80 H80 N4 P4 Se4 -","4","1","YK2075","Davis, Wade L.; Muller, Alfred","[4-(Dimethylamino)phenyl]diphenylphosphine selenide","Acta Crystallographica Section E","2012","68","11","o3153","o3154","10.1107/S1600536812042602","","","0.71073","MoKα","","0.0475","0.036","","","0.0923","0.0968","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236751","10.8832","0.0006","12.5712","0.0007","16.0206","0.0008","98.867","0.001","100.517","0.001","114.056","0.001","1903.04","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Iodido[1-(propan-2-ylidene)thiosemicarbazide- κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C40 H39 Cu I N3 P2 S -","- C40 H39 Cu I N3 P2 S -","- C80 H78 Cu2 I2 N6 P4 S2 -","2","1","ZB2025","Wattanakanjana, Yupa; Pakawatchai, Chaveng; Saithong, Saowanit; Piboonphon, Prapaporn; Nimthong, Ruthairat","Iodido[1-(propan-2-ylidene)thiosemicarbazide-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2012","68","11","m1417","m1418","10.1107/S1600536812044066","","","0.71073","MoKα","","0.0456","0.0356","","","0.0794","0.0835","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236752","5.6859","0.0003","7.7535","0.0005","19.9045","0.0016","81.333","0.004","84.152","0.004","87.66","0.004","862.68","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","(10<i>E</i>,12<i>E</i>,14<i>E</i>)-9,16-Dioxooctadeca-10,12,14-trienoic acid","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","ZJ2081","Bréant, Lise; Vonthron-Sénécheau, Catherine; Brelot, Lydia; Lobstein, Annelise","(10<i>E</i>,12<i>E</i>,14<i>E</i>)-9,16-Dioxooctadeca-10,12,14-trienoic acid","Acta Crystallographica Section E","2012","68","9","o2624","","10.1107/S1600536812027870","","","0.71073","MoKα","","0.0962","0.0647","","","0.1652","0.1892","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236753","10.401","0.002","7.028","0.0014","17.106","0.003","90","","90","","90","","1250.4","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>N</i>-(5-Chloro-2-nitrophenyl)-2,2-dimethylpropanamide","","- C11 H12 Cl N2 O3 -","- C11 H12 Cl N2 O3 -","- C44 H48 Cl4 N8 O12 -","4","0.5","ZJ2083","Zhang, Feng; Fang, Zheng; Zou, Bao-Hua; Kai, Guo","<i>N</i>-(5-Chloro-2-nitrophenyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2012","68","9","o2771","","10.1107/S1600536812027730","","","0.71073","MoKα","","0.1274","0.0636","","","0.1492","0.179","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236754","10.2028","0.0007","11.9126","0.0009","17.0553","0.0017","101.563","0.004","99.11","0.004","113.808","0.002","1790.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-<i>N</i>-(2-phenylethyl)-2-propyl-1<i>H</i>-benzimidazole- 6-carboxamide","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C80 H92 N12 O4 -","4","2","ZJ2085","Wang, Jin-Liang; Yu, Wei-Fa","4-Methyl-<i>N</i>-(2-phenylethyl)-2-propyl-1<i>H</i>-benzimidazole-6-carboxamide","Acta Crystallographica Section E","2012","68","10","o2824","","10.1107/S1600536812036707","","","0.71073","MoKα","","0.074","0.0485","","","0.1295","0.1553","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236755","14.2134","0.0004","10.2802","0.0002","24.2786","0.0007","90","","90","","90","","3547.51","0.16","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-(2-Chloro-3-hydroxy-4-methoxyphenyl)-1-(4,5-dimethoxy-2- methylphenyl)prop-2-en-1-one","","- C19 H19 Cl O5 -","- C19 H19 Cl O5 -","- C152 H152 Cl8 O40 -","8","1","ZJ2087","Patel, U. H.; Gandhi, S. A.; Barot, V. M.; Patel, M. C.","3-(2-Chloro-3-hydroxy-4-methoxyphenyl)-1-(4,5-dimethoxy-2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2926","o2927","10.1107/S1600536812038275","","","0.71073","MoKα","","0.0501","0.0339","","","","0.0981","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236756","13.308","0.002","6.1629","0.0007","15.285","0.002","90","","100.8","0.01","90","","1231.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitro-<i>N</i>-phenylbenzenesulfonamide","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C48 H40 N8 O16 S4 -","4","1","ZJ2090","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","2-Nitro-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2651","","10.1107/S1600536812034265","","","0.71073","MoKα","","0.0485","0.0348","","","0.0904","0.096","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236757","18.469","0.004","5.9596","0.0012","19.274","0.004","90","","99.079","0.003","90","","2094.9","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-Phenylcoumarin","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","1","ZJ2091","Matos, Maria J.; Santana, Lourdes; Uriarte, Eugenio","3-Phenylcoumarin","Acta Crystallographica Section E","2012","68","9","o2645","","10.1107/S1600536812034277","","","0.7107","MoKα","","0.057","0.0402","","","0.0953","0.1042","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236758","5.2176","0.0001","10.3422","0.0001","14.9135","0.0002","90","","97.206","0.001","90","","798.4","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Diethoxy-4,4'-[(<i>E</i>,<i>E</i>)- hydrazinediylidenebis(methanylylidene)]diphenol","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","ZJ2092","Al-Mehana, Wisam Naji Atiyah; Yahya, Rosiyah; Sonsudin, Faridah; Al-Mehana, Ihsan Naji Atiyah; Lo, Kong Mun","2,2'-Diethoxy-4,4'-[(<i>E</i>,<i>E</i>)-hydrazinediylidenebis(methanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","10","o2990","","10.1107/S1600536812038354","","","0.71073","MoKα","","0.0384","0.0342","","","0.0939","0.0978","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236759","32.059","0.003","4.8392","0.0003","19.2682","0.0016","90","","107.269","0.006","90","","2854.5","0.4","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-[(3-Iodophenyl)iminomethyl]naphthalen-2-ol","","- C17 H12 I N O -","- C17 H12 I N O -","- C136 H96 I8 N8 O8 -","8","1","ZJ2093","Akbal, Tufan; Ağar Alaman, Ayşen; Gümüş, Sümeyye; Erdönmez, Ahmet","(<i>E</i>)-1-[(3-Iodophenyl)iminomethyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","10","o3027","","10.1107/S1600536812036793","","","0.71073","MoKα","","0.086","0.0422","","","0.0819","0.0943","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236760","7.899","0.001","25.061","0.003","8.1743","0.0011","90","","101.114","0.009","90","","1587.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4<i>Z</i>)-1-Methyl-4-[(2<i>E</i>)-2-(4-methylbenzylidene)hydrazin-1- ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C68 H68 N12 O8 S4 -","4","1","ZJ2094","Shafiq, Muhammad; Harrison, William T. A.; Khan, Islam Ullah; Ejaz","(4<i>Z</i>)-1-Methyl-4-[(2<i>E</i>)-2-(4-methylbenzylidene)hydrazin-1-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","10","o2971","","10.1107/S1600536812039529","","","0.71073","MoKα","","0.1582","0.1197","","","0.3241","0.3466","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236761","9.466","0.005","10.625","0.005","11.527","0.005","63.932","0.005","84.5","0.005","75.874","0.005","1009.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H66 Cl2 P2 Pd -","- C42 H66 Cl2 P2 Pd -","- C42 H66 Cl2 P2 Pd -","1","0.5","ZJ2095","Buthelezi, Isaac; Chiririwa, Haleden; Ogutu, Hezron; Meijboom, Reinout","<i>trans</i>-Dichloridobis[dicyclohexyl(2,4,6-trimethylphenyl)phosphane-κ<i>P</i>]palladium(II)","Acta Crystallographica Section E","2012","68","11","m1330","m1331","10.1107/S1600536812040810","","","0.71069","MoKα","","0.1016","0.0614","","","","0.1652","","","","","","1.015","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236762","8.9668","0.0013","10.1506","0.0015","12.0238","0.0017","90","","90","","90","","1094.4","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[(<i>R</i>)-1-Hydroxybutan-2-yl]-1,2,3-benzotriazin-4(3<i>H</i>)-one","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","1","ZJ2097","Rocha-Alonzo, Fernando; Morales-Morales, David; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Parra-Hake, Miguel","3-[(<i>R</i>)-1-Hydroxybutan-2-yl]-1,2,3-benzotriazin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3240","o3241","10.1107/S1600536812043802","","","0.71073","MoKα","","0.0411","0.0336","","","0.0733","0.0758","","","","","","0.926","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236763","12.2447","0.0004","4.1135","0.0001","31.138","0.0011","90","","112.646","0.001","90","","1447.46","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[1-(5-Bromo-2-oxidobenzylidene)thiosemicarbazidato- κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>](pyridine-κ<i>N</i>)nickel(II)","","- C13 H11 Br N4 Ni O S -","- C13 H11 Br N4 Ni O S -","- C52 H44 Br4 N16 Ni4 O4 S4 -","4","1","ZL2486","Pederzolli, Fernanda Rosi Soares; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg; de Oliveira, Adriano Bof","[1-(5-Bromo-2-oxidobenzylidene)thiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>](pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","9","m1138","","10.1107/S1600536812028917","","","0.71073","MoKα","","0.0406","0.0307","","","","0.0831","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236764","8.254","0.0004","11.5489","0.0004","26.1962","0.0011","90","","90","","90","","2497.14","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate","","- C13 H12 F N3 O2 -","- C13 H12 F N3 O2 -","- C104 H96 F8 N24 O16 -","8","1","ZL2494","Nair, Yamuna; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","9","o2709","","10.1107/S1600536812035179","","","0.71073","MoKα","","0.0408","0.0319","","","0.0855","0.0962","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236765","7.3987","0.0002","14.7348","0.0004","18.7286","0.0004","90","","90","","90","","2041.76","0.09","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Bis(4-aminopyridinium) tetraiodidocadmate monohydrate","","- C10 H16 Cd I4 N4 O -","- C10 H16 Cd I4 N4 O -","- C40 H64 Cd4 I16 N16 O4 -","4","0.5","ZL2495","Sun, Qiaozhen; Liao, Songyi; Yao, Junjun; Wang, Junke; Fang, Qiongjiali","Bis(4-aminopyridinium) tetraiodidocadmate monohydrate","Acta Crystallographica Section E","2012","68","9","m1160","m1161","10.1107/S1600536812034447","","","0.71073","MoKα","","0.0268","0.025","","","0.0634","0.0643","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2236766","16.9456","0.0019","5.7029","0.0006","8.6333","0.0009","90","","90","","90","","834.31","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Methyl-1<i>H</i>-indole-3-carbaldehyde","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","ZL2498","Ismail, Sharifah Shafiqah; Khaledi, Hamid; Mohd Ali, Hapipah","5-Methyl-1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2012","68","9","o2691","","10.1107/S1600536812034873","","","0.71073","MoKα","","0.0735","0.0378","","","0.0892","0.107","","","","","","0.979","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236767","10.0516","0.0003","17.9539","0.0006","12.4471","0.0004","90","","105.347","0.002","90","","2166.17","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (3<i>S</i>,3'<i>R</i>)-1-methyl-2,2''-dioxo-1',2',3',5',6',7',8',8a'- octahydrodispiro[indoline-3,2'-indolizine-3',3''-indoline]-1'-carboxylate","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C100 H100 N12 O16 -","4","1","ZL2499","Ganesh, G.; Yuvaraj, Panneer Selvam; Govindan, E.; Reddy, Boreddy S. R.; SubbiahPandi, A.","Methyl (3<i>S</i>,3'<i>R</i>)-1-methyl-2,2''-dioxo-1',2',3',5',6',7',8',8a'-octahydrodispiro[indoline-3,2'-indolizine-3',3''-indoline]-1'-carboxylate","Acta Crystallographica Section E","2012","68","10","o2901","","10.1107/S1600536812037531","","","0.71073","MoKα","","0.0853","0.0494","","","0.1223","0.1433","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236768","6.7625","0.0003","17.861","0.0008","7.6687","0.0004","90","","103.107","0.002","90","","902.13","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Acetyl-1,1,3,3-tetramethylguanidine","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C28 H60 N12 O4 -","4","1","ZL2504","Tiritiris, Ioannis","2-Acetyl-1,1,3,3-tetramethylguanidine","Acta Crystallographica Section E","2012","68","10","o2996","","10.1107/S1600536812039724","","","0.71073","MoKα","","0.0526","0.0458","","","0.1135","0.1171","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236769","9.3505","0.0004","22.4118","0.0009","7.6682","0.0005","90","","106.661","0.005","90","","1539.5","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C4 H6 N2 S3 -","- C4 H6 N2 S3 -","- C32 H48 N16 S24 -","8","2","ZL2506","Suarez, Sebastian A.; Hazari, Saroj K. S.; Ganguly, Biplab; Doctorovich, Fabio; G. Roy, Tapashi; Baggio, Ricardo","3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","10","o3045","o3046","10.1107/S1600536812040147","","","0.71073","MoKα","","0.0684","0.0396","","","","0.1015","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236770","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Methoxyindan-1-one","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","ZL2507","Chang, Yuan Jay; Chen, Kew-Yu","7-Methoxyindan-1-one","Acta Crystallographica Section E","2012","68","11","o3063","","10.1107/S1600536812040743","","","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236771","11.7408","0.0002","13.3554","0.0002","37.5523","0.0008","90","","90","","90","","5888.32","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethyl-3-hydroxy-1-isopropyl-4-pyridone","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C240 H360 N24 O48 -","24","3","ZL2508","Molokoane, Pule P.; Schutte, M.; Steyl, G.","2-Ethyl-3-hydroxy-1-isopropyl-4-pyridone","Acta Crystallographica Section E","2012","68","11","o3235","o3236","10.1107/S1600536812044091","","","0.71073","MoKα","","0.0548","0.0414","","","","0.1111","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236772","13.034","0.002","12.815","0.002","6.7741","0.0009","90","","100.65","0.01","90","","1112","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Potassium <i>N</i>-bromo-2-nitrobenzenesulfonamidate monohydrate","","- C6 H6 Br K N2 O5 S -","- C6 H6 Br K N2 O5 S -","- C24 H24 Br4 K4 N8 O20 S4 -","4","1","ZL2509","Gowda, B. Thimme; Foro, Sabine; Spandana, H. S.","Potassium <i>N</i>-bromo-2-nitrobenzenesulfonamidate monohydrate","Acta Crystallographica Section E","2012","68","11","m1358","","10.1107/S1600536812042080","","","0.71073","MoKα","","0.0633","0.0525","","","0.1362","0.145","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236773","16.591","0.0006","16.591","0.0006","9.7939","0.0003","90","","90","","90","","2695.88","0.16","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","4-Morpholinecarboxamidine","","- C5 H11 N3 O -","- C5 H11 N3 O -","- C80 H176 N48 O16 -","16","1","ZL2510","Tiritiris, Ioannis","4-Morpholinecarboxamidine","Acta Crystallographica Section E","2012","68","11","o3118","","10.1107/S1600536812042201","","","0.71073","MoKα","","0.0497","0.0371","","","0.0839","0.0905","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236774","5.914","0.0012","13.133","0.003","16.285","0.003","69.3","0.03","83.28","0.03","79.11","0.03","1160.1","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3,6-Di-<i>tert</i>-butyl-9-(quinolin-6-yl)-9<i>H</i>-carbazole","","- C29 H30 N2 -","- C29 H30 N2 -","- C58 H60 N4 -","2","1","ZQ2170","Chi, Yun; Wang, Lizhi; Li, Xiangxiang; Guan, Jianning","3,6-Di-<i>tert</i>-butyl-9-(quinolin-6-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","9","o2609","","10.1107/S1600536812030723","","","0.71073","MoKα","","0.0913","0.0554","","","0.1463","0.1707","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236775","9.88","0.002","10.246","0.002","11.272","0.002","86.29","0.03","71.82","0.03","65.32","0.03","982.2","0.5","223.15","","223.15","","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ~4~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^: <i>O</i>^2^:<i>O</i>^4^:<i>O</i>^5^)(μ~2~-2,5-dicarboxybenzene-1,4- dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')dimanganese(II)]","","- C44 H28 Mn2 N4 O18 -","- C44 H28 Mn2 N4 O18 -","- C44 H28 Mn2 N4 O18 -","1","0.5","ZQ2172","Zhong, Kai-Long","Poly[diaqua(μ~4~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^5^)(μ~2~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dimanganese(II)]","Acta Crystallographica Section E","2012","68","9","m1184","m1185","10.1107/S1600536812035441","","","0.71073","MoKα","","0.0379","0.0308","","","0.0787","0.0813","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236776","9.3831","0.001","19.138","0.002","8.749","0.0009","90","","99.412","0.001","90","","1549.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-(Thiophen-2-yl)-8,9-dihydro-3<i>H</i>-pyrazolo[4,3-<i>f</i>]quinolin- 7(6<i>H</i>)-one ethanol monosolvate","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","1","ZQ2174","Peng, Juhua; Jia, Runhong","9-(Thiophen-2-yl)-8,9-dihydro-3<i>H</i>-pyrazolo[4,3-<i>f</i>]quinolin-7(6<i>H</i>)-one ethanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2608","","10.1107/S1600536812033533","","","0.71073","MoKα","","0.1073","0.0523","","","0.1205","0.1537","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236777","5.6325","0.0003","8.1666","0.0003","13.4836","0.0006","90","","96.798","0.004","90","","615.86","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methoxy-2-{(<i>E</i>)-[(thiophen-2-yl)methylimino]methyl}phenol","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C26 H26 N2 O4 S2 -","2","1","ZQ2177","Kantar, Esen Nur; Köysal, Yavuz; Macit, Mustafa; Er, Ebru; Soylu, Mustafa Serkan","4-Methoxy-2-{(<i>E</i>)-[(thiophen-2-yl)methylimino]methyl}phenol","Acta Crystallographica Section E","2012","68","9","o2801","","10.1107/S1600536812036586","","","0.71073","MoKα","","0.0594","0.0469","","","0.0965","0.1094","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236778","13.3604","0.0016","14.495","0.0016","23.007","0.003","90","","120.694","0.002","90","","3831.3","0.8","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Dichloridobis[tris(4-chlorophenyl)phosphane-κ<i>P</i>]platinum(II) acetonitrile monosolvate","","- C38 H27 Cl8 N P2 Pt -","- C38 H27 Cl8 N P2 Pt -","- C152 H108 Cl32 N4 P8 Pt4 -","4","1","ZQ2178","Meijboom, Reinout; Kirsten, Leo; Mbhele, Thapelo","<i>cis</i>-Dichloridobis[tris(4-chlorophenyl)phosphane-κ<i>P</i>]platinum(II) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","9","m1229","","10.1107/S1600536812037166","","","0.71073","MoKα","","0.0325","0.0232","","","0.0481","0.0519","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236779","14.698","0.009","8.03","0.005","17.495","0.011","90","","103.059","0.007","90","","2011","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Chlorophenyl)-1-phenylformamido 3-(2-nitrophenyl)propanoate","","- C22 H17 Cl N2 O5 -","- C22 H17 Cl N2 O5 -","- C88 H68 Cl4 N8 O20 -","4","1","ZQ2179","Zhang, Hongxia; Qu, Donghui; Ma, Jing","<i>N</i>-(2-Chlorophenyl)-1-phenylformamido 3-(2-nitrophenyl)propanoate","Acta Crystallographica Section E","2012","68","10","o2904","","10.1107/S1600536812037981","","","0.71073","MoKα","","0.0858","0.0474","","","","0.1143","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236780","10.3609","0.0003","7.87","0.0002","17.7948","0.0007","90","","93.043","0.002","90","","1448.95","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>N</i>-Ferrocenylmethyl-2-nitroaniline","","- C17 H16 Fe N2 O2 -","- C17 H16 Fe N2 O2 -","- C68 H64 Fe4 N8 O8 -","4","1","ZQ2180","Rahim, Oumelkheir; Khelef, Abdelhamid; Terki, Belgacem; Mahboub, Mohammed Sadok; Lanez, Touhami","<i>N</i>-Ferrocenylmethyl-2-nitroaniline","Acta Crystallographica Section E","2012","68","10","m1318","","10.1107/S1600536812039177","","","0.71073","MoKα","","0.0286","0.0251","","","0.0666","0.0692","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236781","8.173","0.0016","20.21","0.004","12.068","0.002","90","","91.44","0.03","90","","1992.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triaqua(cyclohex-4-ene-1,2-dicarboxylato-κ<i>O</i>^1^)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C20 H22 Co N2 O7 -","- C20 H22 Co N2 O7 -","- C80 H88 Co4 N8 O28 -","4","1","ZQ2181","Li, Hai-Ye; Wang, Cheng; Huang, Fu-Ping; Jiang, Yi-Min","Triaqua(cyclohex-4-ene-1,2-dicarboxylato-κ<i>O</i>^1^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1375","m1376","10.1107/S160053681204024X","","","0.71073","MoKα","","0.0837","0.0606","","","0.1113","0.1215","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236782","9.246","0.003","11.911","0.004","17.923","0.006","90","","90","","90","","1973.8","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Methylphenyl)-<i>N</i>-{[(2-nitrophenyl)acetyl]oxy}benzamide","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","ZQ2182","Qu, Dong-Hui; Zhang, Hong-Xia; Ma, Jing","<i>N</i>-(4-Methylphenyl)-<i>N</i>-{[(2-nitrophenyl)acetyl]oxy}benzamide","Acta Crystallographica Section E","2012","68","10","o2974","","10.1107/S1600536812039360","","","0.71073","MoKα","","0.0779","0.0404","","","","0.1108","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236783","18.817","0.0004","11.9752","0.0003","15.6043","0.0004","90","","91.47","0.001","90","","3515.07","0.15","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl (<i>Z</i>)-3-(4-methylanilino)-2-[(4-methylphenyl)carbamoyl]prop-2-enoate","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","1","ZQ2185","Islor, Arun M.; Garudachari, B.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Ethyl (<i>Z</i>)-3-(4-methylanilino)-2-[(4-methylphenyl)carbamoyl]prop-2-enoate","Acta Crystallographica Section E","2012","68","11","o3218","","10.1107/S1600536812043723","","","0.71073","MoKα","","0.0677","0.0511","","","0.1349","0.1469","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236784","6.8604","0.0002","9.4534","0.0003","16.4789","0.0006","90","","90","","90","","1068.72","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","0.5","ZS2214","Wang, Qian; Zhao, Xiao-Li","4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","9","o2618","","10.1107/S1600536812032485","","","0.71073","MoKα","","0.0425","0.0317","","","0.0877","0.0958","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236785","13.9633","0.0004","7.7094","0.0002","15.1518","0.0004","90","","90.705","0.003","90","","1630.95","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(Methylsulfanyl)phenyl]-2-(2,3,4-trimethoxyphenyl)ethene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","ZS2220","Gielara-Korzańska, Agnieszka; Stefański, Tomasz; Korzański, Artur; Sobiak, Stanisław","(<i>E</i>)-1-[4-(Methylsulfanyl)phenyl]-2-(2,3,4-trimethoxyphenyl)ethene","Acta Crystallographica Section E","2012","68","9","o2791","","10.1107/S1600536812036288","","","0.71073","MoKα","","0.0725","0.0502","","","0.0984","0.1053","","","","","","1.124","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236786","13.2429","0.0014","4.7704","0.0005","16.7983","0.0018","90","","111.227","0.002","90","","989.21","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(Cyclopropanecarboxamido)benzoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","ZS2222","Sun, Zhong-Qiang; Ding, Zhen-Ya; Shao, Zhi-Yu","4-(Cyclopropanecarboxamido)benzoic acid","Acta Crystallographica Section E","2012","68","10","o3029","","10.1107/S1600536812038196","","","0.71073","MoKα","","0.0464","0.0411","","","0.1133","0.119","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236787","3.9231","0.0002","13.8213","0.0012","12.6465","0.0011","90","","90","","90","","685.72","0.09","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","2,5-diamino-3,4-dicyanothiophene","2,5-Diaminothiophene-3,4-dicarbonitrile","","- C6 H4 N4 S -","- C6 H4 N4 S -","- C24 H16 N16 S4 -","4","0.5","ZS2223","Ziegler, Christopher J.; Nemykin, Victor N.","2,5-Diaminothiophene-3,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2693","","10.1107/S1600536812034678","","","0.71073","MoKα","","0.0838","0.053","","0.1162","0.0845","0.1162","","","","","","0.9931","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236788","12.1299","0.0008","18.9418","0.0008","7.7549","0.0004","90","","100.375","0.004","90","","1752.65","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-(4,5-Dimethyl-1,2-phenylene)bis(pyridine-2-carboxamide)","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","ZS2225","Van der Berg, Phillipus C. W.; Visser, Hendrik G.; Roodt, Andreas; Muller, Theunis J.","<i>N</i>,<i>N</i>'-(4,5-Dimethyl-1,2-phenylene)bis(pyridine-2-carboxamide)","Acta Crystallographica Section E","2012","68","9","o2739","","10.1107/S1600536812035064","","","0.71073","MoKα","","0.0415","0.0363","","","","0.0899","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236789","8.7601","0.0001","7.6732","0.0001","20.0819","0.0003","90","","96.7467","0.0007","90","","1340.52","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Cyanato-κ<i>N</i>){1-[(<i>E</i>)-phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)","","- C14 H11 Cu N5 O2 -","- C14 H11 Cu N5 O2 -","- C56 H44 Cu4 N20 O8 -","4","1","ZS2226","Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng","(Cyanato-κ<i>N</i>){1-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)","Acta Crystallographica Section E","2012","68","9","m1180","","10.1107/S1600536812035386","","","0.71073","MoKα","","0.0335","0.0292","","","0.0881","0.0926","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236790","9.1289","0.0002","9.4017","0.0002","10.6798","0.0002","90.4349","0.0006","99.1627","0.0006","105.491","0.0006","870.84","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido(1-{(<i>E</i>)-[phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]amino-κ<i>N</i>}pyrrolidin-2-one-κ<i>O</i>)copper(II) monohydrate","","- C16 H17 Cl2 Cu N3 O2 -","- C16 H17 Cl2 Cu N3 O2 -","- C32 H34 Cl4 Cu2 N6 O4 -","2","1","ZS2227","Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng","Dichlorido(1-{(<i>E</i>)-[phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]amino-κ<i>N</i>}pyrrolidin-2-one-κ<i>O</i>)copper(II) monohydrate","Acta Crystallographica Section E","2012","68","9","m1181","","10.1107/S1600536812035398","","","0.71073","MoKα","","0.028","0.0258","","","0.0728","0.0756","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236791","6.4831","0.0006","6.7538","0.0006","10.404","0.0011","77.865","0.009","84.297","0.008","74.499","0.008","428.71","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1-(2-cyanoethyl)-4,5-dicyanoimidazole","1-(2-Cyanoethyl)-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C8 H5 N5 -","- C8 H5 N5 -","- C16 H10 N10 -","2","1","ZS2228","Yu, Hong; Lei, Ke-Wei","1-(2-Cyanoethyl)-1<i>H</i>-imidazole-4,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2765","","10.1107/S1600536812036252","","","0.71073","MoKα","","0.0675","0.0473","","","0.1046","0.1238","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236792","5.5265","0.0011","9.467","0.0019","22.534","0.005","90","","91.206","0.003","90","","1178.7","0.4","291","2","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-<i>N</i>-Methyl-2-[(2<i>E</i>)-3-phenylprop-2-en-1- ylidene]hydrazinecarbothioamide","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C44 H52 N12 S4 -","4","1","ZS2229","Murali Krishna, P.; Anilkumar, G. N.; Hussain Reddy, K.; Kokila, M. K.","(2<i>E</i>)-<i>N</i>-Methyl-2-[(2<i>E</i>)-3-phenylprop-2-en-1-ylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","10","o2842","","10.1107/S1600536812037397","","","0.71073","MoKα","","0.084","0.0594","","","0.1497","0.1735","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236793","5.9035","0.0003","7.5712","0.0004","35.373","0.002","85.618","0.005","86.213","0.005","89.046","0.004","1572.88","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","fenoxycarb","Ethyl <i>N</i>-[2-(4-phenoxyphenoxy)ethyl]carbamate","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","2","ZS2230","Karpinska, Jolanta; Kuhs, Manuel; Rasmuson, Ake; Erxleben, Andrea; McArdle, Patrick","Ethyl <i>N</i>-[2-(4-phenoxyphenoxy)ethyl]carbamate","Acta Crystallographica Section E","2012","68","10","o2834","o2835","10.1107/S1600536812037105","","","0.7107","MoKα","","0.1401","0.063","","","0.0978","0.1264","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236794","20.4938","0.0015","4.1237","0.0003","24.6361","0.0018","90","","114.151","0.003","90","","1899.8","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Chloromethyl-6,7-dimethyl-1,2-benzoxazole","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C80 H80 Cl8 N8 O8 -","8","1","ZS2231","Kayalvizhi, M.; Vasuki, G.; Veerareddy, A.; Laxminarasimha, G.","3-Chloromethyl-6,7-dimethyl-1,2-benzoxazole","Acta Crystallographica Section E","2012","68","10","o3008","","10.1107/S1600536812039700","","","0.71073","MoKα","","0.0523","0.0407","","","0.1095","0.1201","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236795","12.139","0.0011","11.1247","0.0009","20.035","0.0018","90","","95.543","0.001","90","","2692.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Bis[μ-bis(diphenylphosphino)methane-1:2κ^2^<i>P</i>:<i>P</i>']- bis(nitrito-κ^2^<i>O</i>,<i>O</i>')]disilver(I) acetonitrile disolvate","","- C54 H50 Ag2 N4 O4 P4 -","- C54 H50 Ag2 N4 O4 P4 -","- C108 H100 Ag4 N8 O8 P8 -","2","0.5","ZS2232","Yang, Xue; Huang, Xu; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin","[Bis[μ-bis(diphenylphosphino)methane-1:2κ^2^<i>P</i>:<i>P</i>']-bis(nitrito-κ^2^<i>O</i>,<i>O</i>')]disilver(I) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","11","m1367","","10.1107/S1600536812041931","","","0.71073","MoKα","","0.0455","0.0319","","","0.0783","0.0897","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236796","11.905","0.008","13.729","0.009","12.782","0.008","90","","108.366","0.014","90","","1983","2","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Methyl (<i>E</i>)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)- 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C20 H16 Cl2 N4 O2 -","- C20 H16 Cl2 N4 O2 -","- C80 H64 Cl8 N16 O8 -","4","1","ZS2233","Venugopala, K. N.; Nayak, Susanta K.; Odhav, Bharti","Methyl (<i>E</i>)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2012","68","10","o2977","o2978","10.1107/S1600536812039451","","","0.71073","MoKα","","0.0776","0.0461","","","0.1135","0.1299","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236797","9.436","0.0019","9.454","0.0019","10.098","0.002","66.87","0.03","70.19","0.03","75.91","0.03","773","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-carboxy-2-hydroxypropane-1,2-dicarboxylato)bis(diaquazinc)‒ 1,2-bis(pyridin-4-yl)ethene‒water (1/1/2)","","- C24 H34 N2 O20 Zn2 -","- C24 H34 N2 O20 Zn2 -","- C24 H34 N2 O20 Zn2 -","1","0.5","ZS2234","Hwang, In Hong; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","Bis(μ-3-carboxy-2-hydroxypropane-1,2-dicarboxylato)bis(diaquazinc)‒1,2-bis(pyridin-4-yl)ethene‒water (1/1/2)","Acta Crystallographica Section E","2012","68","10","m1305","m1306","10.1107/S1600536812039761","","","0.71073","MoKα","","0.0604","0.0514","","","0.1342","0.1395","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236798","12.5237","0.0016","14.9638","0.0018","23.845","0.003","90","","90","","90","","4468.6","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^] (trifluoroacetato-κ<i>O</i>)silver(I)","","- C22 H12 Ag F3 N8 O2 -","- C22 H12 Ag F3 N8 O2 -","- C176 H96 Ag8 F24 N64 O16 -","8","2","ZS2235","Li, Jing; Jia, Xiao Cuan; Qi, Jun; Liu, Yuan Yuan; Ding, Yu","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^](trifluoroacetato-κ<i>O</i>)silver(I)","Acta Crystallographica Section E","2012","68","11","m1329","","10.1107/S1600536812040846","","","0.71073","MoKα","","0.0634","0.0438","","","0.1115","0.1291","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236799","9.507","0.0008","9.904","0.0008","11.471","0.0013","71.582","0.013","76.74","0.016","79.743","0.015","990.89","0.19","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","<i>rac</i>-Ethyl 4-hydroxy-4-trifluoromethyl-6-(2,4,5-trimethoxyphenyl)- 2-thio-1,3-diazinane-5-carboxylate","","- C17 H21 F3 N2 O6 S -","- C17 H21 F3 N2 O6 S -","- C34 H42 F6 N4 O12 S2 -","2","1","ZS2236","Li, Yong-Qiang; Ju, Zhi-Yu","<i>rac</i>-Ethyl 4-hydroxy-4-trifluoromethyl-6-(2,4,5-trimethoxyphenyl)-2-thio-1,3-diazinane-5-carboxylate","Acta Crystallographica Section E","2012","68","11","o3092","o3093","10.1107/S1600536812041013","","","0.71075","MoKα","","0.0495","0.0329","","","0.0768","0.0803","","","","","","0.896","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236800","7.184","0.0001","12.5079","0.0001","19.9527","0.0001","90","","90","","90","","1792.88","0.03","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2,4,6-Tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)-1,3,5-triazine","","- C18 H21 N9 -","- C18 H21 N9 -","- C72 H84 N36 -","4","1","ZS2237","Ng, Seik Weng","A second polymorph of 2,4,6-tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)-1,3,5-triazine","Acta Crystallographica Section E","2012","68","11","o3201","","10.1107/S1600536812043255","","","1.54184","CuKα","","0.028","0.028","","","0.0789","0.079","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236801","7.982","0.003","17.921","0.006","12.478","0.004","90","","92.581","0.006","90","","1783.1","1.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-6-methyl-4-(3-methylphenyl)quinoline","","- C23 H18 Cl N -","- C23 H18 Cl N -","- C92 H72 Cl4 N4 -","4","1","ZS2238","Prabhuswamy, M.; Swaroop, T. R.; Madan Kumar, S.; Rangappa, K. S.; Lokanath, N. K.","2-(4-Chlorophenyl)-6-methyl-4-(3-methylphenyl)quinoline","Acta Crystallographica Section E","2012","68","11","o3250","","10.1107/S1600536812043954","","","0.71073","MoKα","","0.0766","0.0569","","","0.1505","0.1684","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236802","8.7356","0.0004","15.8691","0.0006","24.7015","0.001","90","","98.206","0.001","90","","3389.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium 2-[2,5-dimethyl-3-(4-nitrophenyl)-2,3-dihydro- 1,2,4-oxadiazolium-4-yl]nonahydro-<i>closo</i>-decaborate","","- C26 H56 B10 N4 O3 -","- C26 H56 B10 N4 O3 -","- C104 H224 B40 N16 O12 -","4","1","AA2067","Mindich, Aleksey L.; Pavlishchuk, Anna V.; Bokach, Nadezhda A.; Starova, Galina L.; Zhizhin, Konstantin Yu.","Tetrabutylammonium 2-[2,5-dimethyl-3-(4-nitrophenyl)-2,3-dihydro-1,2,4-oxadiazolium-4-yl]nonahydro-<i>closo</i>-decaborate","Acta Crystallographica Section E","2012","68","12","o3284","o3285","10.1107/S1600536812044984","","","0.71073","MoKα","","0.0843","0.054","","","0.1307","0.142","","","","","","0.938","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236803","19.94","0.003","12.2947","0.0014","10.9508","0.0014","90","","90","","90","","2684.7","0.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis(2-{[bis(dimethylamino)methylidene]amino-κ<i>N</i>}benzenesulfonato-κ<i>N</i>)copper(II)","","- C22 H32 Cu N6 O6 S2 -","- C22 H32 Cu N6 O6 S2 -","- C88 H128 Cu4 N24 O24 S8 -","4","1","AA2076","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","Bis(2-{[bis(dimethylamino)methylidene]amino-κ<i>N</i>}benzenesulfonato-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2012","68","12","m1482","","10.1107/S1600536812046387","","","0.71073","MoKα","","0.0625","0.0435","","","0.087","0.0932","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236804","13.904","0.001","8.104","0.001","13.946","0.001","90","","97.39","0.01","90","","1558.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-hydroxy-9,10-dimethyl-9,10-ethanoanthracene-11,12-dicarboximide","17-Hydroxy-1,8-dimethyl-17- azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2,4,6,9(14),10,12- hexaene-16,18-dione","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","BG2475","Miroslaw, Barbara; Koziol, Anna E.; Pakosinska-Parys, Magdalena; Struga, Marta","17-Hydroxy-1,8-dimethyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione","Acta Crystallographica Section E","2012","68","12","o3293","o3294","10.1107/S1600536812045151","","","0.71073","MoKα","","0.0427","0.0363","","","0.0901","0.0959","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236805","7.804","0.0005","7.98","0.0004","10.2903","0.0005","90","","99.458","0.005","90","","632.13","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5<i>S</i>,11a<i>S</i>)-5-Hydroperoxy-1,5,11,11a- tetrahydro[1]benzothieno[3,2-<i>f</i>]indolizin-3(2<i>H</i>)-one","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C28 H26 N2 O6 S2 -","2","1","BG2481","Vrábel, Viktor; Švorc, Ľubomír; Marchalín, Štefan; Šafář, Peter","(5<i>S</i>,11a<i>S</i>)-5-Hydroperoxy-1,5,11,11a-tetrahydro[1]benzothieno[3,2-<i>f</i>]indolizin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","12","o3327","o3328","10.1107/S1600536812045394","","","0.71073","MoKα","","0.035","0.0274","","","0.066","0.068","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236806","10.92406","0.00018","16.0826","0.0002","13.2228","0.0002","90","","105.255","0.0017","90","","2241.22","0.06","120","2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis[1,2- bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)","","- C54 H49 Cl P4 Ru -","- C54 H49 Cl P4 Ru -","- C108 H98 Cl2 P8 Ru2 -","2","0.5","BG2483","Trujillo, Alexander; Fuentealba, Mauricio; Arratia-Perez, Ramiro; Howard, Judith A. K.","<i>trans</i>-Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)","Acta Crystallographica Section E","2012","68","12","m1445","","10.1107/S1600536812044558","","","0.7107","MoKα","","0.0386","0.0304","","","0.0675","0.0717","","","","","","1.093","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2236807","9.0709","0.0018","9.6882","0.0019","12.311","0.003","88.93","0.03","83.12","0.03","75.14","0.03","1038.1","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Adipic acid‒2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine‒water (1/2/4)","","- C44 H44 N10 O8 -","- C44 H44 N10 O8 -","- C44 H44 N10 O8 -","1","0.5","BG2486","Lin, Songzhu; Jia, Ruokun; Gao, Feng; Zhou, Xiaoqing","Adipic acid‒2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine‒water (1/2/4)","Acta Crystallographica Section E","2012","68","12","o3457","","10.1107/S1600536812047861","","","0.71073","MoKα","","0.0605","0.0473","","","0.144","0.1625","","","","","","1.149","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236808","5.0102","0.0001","28.6642","0.0007","10.1131","0.0002","90","","103.113","0.001","90","","1414.51","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^1^-(4-Methylphenyl)piperidine-1,4-dicarboxamide","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","BG2489","Islor, Arun M.; Jagadeesh, M. R.; Suresh Kumar, H. M.; Ananda Kumari, R.; Gerber, Thomas; Hosten, Eric; Betz, Richard","<i>N</i>^1^-(4-Methylphenyl)piperidine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","12","o3452","","10.1107/S1600536812047836","","","0.71073","MoKα","","0.0521","0.0437","","","0.1163","0.1236","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236809","7.5887","0.0002","6.7522","0.0001","22.5299","0.0005","90","","98.85","0.001","90","","1140.7","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dicarbonyl(1-phenyl-1,3-butanedionato)rhodium(I)","(Benzoylacetonato-κ^2^<i>O</i>,<i>O</i>')dicarbonylrhodium(I)","","- C12 H9 O4 Rh -","- C12 H9 O4 Rh -","- C48 H36 O16 Rh4 -","4","1","BH2458","Pretorius, Carla; Roodt, Andreas","(Benzoylacetonato-κ^2^<i>O</i>,<i>O</i>')dicarbonylrhodium(I)","Acta Crystallographica Section E","2012","68","12","m1451","m1452","10.1107/S1600536812044893","","","0.71073","MoKα","","0.0214","0.0178","","","","0.048","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236810","5.8755","0.0003","9.0515","0.0005","10.7607","0.0005","87.911","0.003","74.346","0.003","83.55","0.003","547.55","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate","","- C8 H17 N5 O2 -","- C8 H17 N5 O2 -","- C16 H34 N10 O4 -","2","1","BH2459","Bhardwaj, Rajni M.; Oswald, Iain; Florence, Alastair J.","6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate","Acta Crystallographica Section E","2012","68","12","o3377","","10.1107/S1600536812044480","","","0.71073","MoKα","","0.0791","0.0406","","","0.0798","0.0932","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236811","7.8893","0.0006","8.4178","0.0007","11.4825","0.001","109.53","0.004","101.959","0.004","93.913","0.005","695.22","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[<i>O</i>-propan-2-yl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)","","- C22 H32 Ni O4 P2 S4 -","- C22 H32 Ni O4 P2 S4 -","- C22 H32 Ni O4 P2 S4 -","1","0.5","BH2460","Sewpersad, Shirveen; Van Zyl, Werner E.","Bis[<i>O</i>-propan-2-yl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section E","2012","68","12","m1457","","10.1107/S1600536812045114","","","0.71073","MoKα","","0.0534","0.0303","","","0.0593","0.0654","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236812","9.1383","0.0003","9.534","0.0003","12.3138","0.0004","90.794","0.002","90.528","0.002","116.272","0.002","961.78","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2,3-Dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]indole-9-carbonitrile","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","2","BH2462","Madeley, Lee G.; Lemmerer, Andreas; Michael, Joseph P.","2,3-Dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]indole-9-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3306","","10.1107/S1600536812045345","","","0.71073","MoKα","","","0.0377","","","","0.0974","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236813","11.705","0.0005","15.3084","0.0007","12.5331","0.0006","90","","97.483","0.001","90","","2226.62","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4,6-dimethylpyrimidine-2-thiolato)-κ^3^<i>N</i>,<i>S</i>:<i>S</i>; κ^3^<i>S</i>:<i>N</i>,<i>S</i>-bis[(triphenylphosphane-κ<i>P</i>)silver(I)]","","- C48 H44 Ag2 N4 P2 S2 -","- C48 H44 Ag2 N4 P2 S2 -","- C96 H88 Ag4 N8 P4 S4 -","2","0.5","BH2464","Wattanakanjana, Yupa; Pakawatchai, Chaveng; Kowittheeraphong, Sukanya; Nimthong, Ruthairat","Bis(μ-4,6-dimethylpyrimidine-2-thiolato)-κ^3^<i>N</i>,<i>S</i>:<i>S</i>;κ^3^<i>S</i>:<i>N</i>,<i>S</i>-bis[(triphenylphosphane-κ<i>P</i>)silver(I)]","Acta Crystallographica Section E","2012","68","12","m1572","m1573","10.1107/S1600536812048210","","","0.71073","MoKα","","0.0387","0.0319","","","0.0845","0.0884","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236814","11.836","0.002","7.716","0.0015","7.743","0.0015","90","","90.72","0.03","90","","707.1","0.2","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methylbenzene-1,2-diamine","","- C7 H10 N2 -","- C7 H10 N2 -","- C28 H40 N8 -","4","1","BQ2378","Yang, Xiao-Li; Feng, Zhi-Qiang; Hao, Ling-Yun","3-Methylbenzene-1,2-diamine","Acta Crystallographica Section E","2012","68","12","o3346","","10.1107/S1600536812046120","","","0.71073","MoKα","","0.0627","0.0449","","","0.1156","0.1236","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236815","6.7653","0.0008","12.2856","0.0011","37.943","0.004","90","","90","","90","","3153.7","0.6","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-6α-Hydroxy-5α-spirostan-3β-yl tosylate","","- C34 H50 O6 S -","- C34 H50 O6 S -","- C136 H200 O24 S4 -","4","1","BQ2379","Fernández-Herrera, María A.; Sandoval-Ramírez, Jesús; Bernès, Sylvain; Rodríguez-Acosta, Maricela; Hernández Linares, María-Guadalupe","(25<i>R</i>)-6α-Hydroxy-5α-spirostan-3β-yl tosylate","Acta Crystallographica Section E","2012","68","12","o3413","o3414","10.1107/S1600536812046600","","","0.71073","MoKα","","0.0471","0.0364","","","0.0834","0.0903","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236816","8.316","0.0017","10.344","0.002","11.049","0.002","109.94","0.03","98.53","0.03","111.93","0.03","786.3","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Bis{(<i>E</i>)-2-[(2-fluorophenyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}bis(pyridine-κ<i>N</i>)nickel(II)","","- C36 H28 F2 N4 Ni O2 -","- C36 H26 F2 N4 Ni O2 -","- C36 H26 F2 N4 Ni O2 -","1","0.5","BR2213","Souza, Marcela C. G.; da Ferreira, Leonardo; Comerlato, Nadia M.; Ferreira, Glaucio B.; do Visentin, Lorenzo","<i>cis</i>-Bis{(<i>E</i>)-2-[(2-fluorophenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","12","m1470","","10.1107/S1600536812045576","","","0.71073","MoKα","","0.0422","0.0365","","","0.0999","0.1052","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236817","7.113","0.0007","12.056","0.002","9.803","0.0009","90","","100.48","0.02","90","","826.63","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Disodium molybdenum dioxide diarsenate","","- As2 Mo Na2 O9 -","- As2 Mo Na2 O9 -","- As8 Mo4 Na8 O36 -","4","1","BR2214","Jouini, Raja; Zid, Mohamed Faouzi; Driss, Ahmed","Na~2~MoO~2~As~2~O~7~","Acta Crystallographica Section E","2012","68","12","i93","","10.1107/S1600536812048167","","","0.71073","MoKα","","0.0231","0.0217","","","0.057","0.0575","","","","","","1.25","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236818","8.5386","0.0011","10.0157","0.001","11.0821","0.0012","109.221","0.008","106.229","0.009","101.886","0.009","811.52","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-[5-Bromo-1-(3-chlorobenzyl)-2-methyl-1<i>H</i>-indol-3-yl]acetic acid","","- C18 H15 Br Cl N O2 -","- C18 H15 Br Cl N O2 -","- C36 H30 Br2 Cl2 N2 O4 -","2","1","BT6855","Elkady, Mahmoud; Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan","2-[5-Bromo-1-(3-chlorobenzyl)-2-methyl-1<i>H</i>-indol-3-yl]acetic acid","Acta Crystallographica Section E","2012","68","12","o3396","","10.1107/S1600536812046740","","","0.71073","MoKα","","0.0862","0.0515","","","0.1301","0.1499","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236819","9.6716","0.0008","11.4617","0.0009","13.8257","0.001","113.497","0.005","92.753","0.006","93.753","0.006","1397.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","2","BT6856","Elkady, Mahmoud; Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan","3-(4-Bromophenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2012","68","12","o3397","","10.1107/S1600536812046752","","","0.71073","MoKα","","0.139","0.0519","","","0.1217","0.1582","","","","","","0.918","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236820","14.3419","0.0008","7.7579","0.0004","23.895","0.001","90","","90.345","0.005","90","","2658.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(3-Chlorophenyl)-4-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C96 H72 Cl8 N16 O32 S8 -","8","2","BT6857","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorophenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3424","","10.1107/S1600536812047496","","","0.71073","MoKα","","0.1033","0.0616","","","0.1424","0.1631","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236821","9.2762","0.0009","12.981","0.001","11.97","0.001","90","","110.97","0.01","90","","1345.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Chlorophenyl)-4-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","BT6858","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorophenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3497","","10.1107/S1600536812048684","","","0.71073","MoKα","","0.0829","0.0526","","","0.0955","0.1098","","","","","","1.156","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236822","10.8091","0.0018","12.326","0.002","20.989","0.003","90","","100.654","0.008","90","","2748.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Ferrocenyl-1-methyl-3-benzoylspiro[pyrrolidine-2,11'- indeno[1,2-<i>b</i>]quinoxaline]","","- C36 H29 Fe N3 O -","- C36 H29 Fe N3 O -","- C144 H116 Fe4 N12 O4 -","4","1","BT6861","Vijayakumar, B.; Sureshbabu, A. R.; Gavaskar, D.; Raghunathan, R.; Velmurugan, D.","4-Ferrocenyl-1-methyl-3-benzoylspiro[pyrrolidine-2,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2012","68","12","m1576","m1577","10.1107/S1600536812048349","","","0.71073","MoKα","","0.0474","0.0364","","","0.0973","0.1056","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236823","6.8218","0.0007","12.9272","0.0013","20.746","0.002","90","","90","","90","","1829.5","0.3","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Dimethyl(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)tin(IV)","","- C16 H14 N4 S2 Sn -","- C16 H14 N4 S2 Sn -","- C64 H56 N16 S8 Sn4 -","4","0.5","BT6862","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Dimethyl(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)tin(IV)","Acta Crystallographica Section E","2012","68","12","m1544","","10.1107/S1600536812047691","","","0.71073","MoKα","","0.0704","0.039","","","0.0886","0.1056","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236824","9.3965","0.0004","17.8939","0.0007","9.9084","0.0004","90","","103.036","0.004","90","","1623.06","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro- 1<i>H</i>-1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido- tetratin(IV)","","- C18 H42 N6 O4 S2 Sn4 -","- C18 H42 N6 O4 S2 Sn4 -","- C36 H84 N12 O8 S4 Sn8 -","2","0.5","BT6863","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Di-μ~2~-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido-tetratin(IV)","Acta Crystallographica Section E","2012","68","12","m1545","","10.1107/S1600536812047708","","","0.71073","MoKα","","0.0323","0.0255","","","0.0614","0.0653","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236825","9.6009","0.0004","10.0839","0.0004","18.3971","0.0006","90","","94.667","0.004","90","","1775.2","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-isopropanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro- 1<i>H</i>-1,2,4-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido- tetratin(IV)","","- C20 H46 N6 O4 S2 Sn4 -","- C20.006 H46 N6 O4 S2 Sn4 -","- C40.012 H92 N12 O8 S4 Sn8 -","2","0.5","BT6864","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Di-μ~2~-isopropanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido-tetratin(IV)","Acta Crystallographica Section E","2012","68","12","m1546","","10.1107/S160053681204771X","","","0.71073","MoKα","","0.0295","0.0233","","","0.0485","0.0518","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236826","14.708","0.001","7.941","0.0007","24.741","0.002","90","","90","","90","","2889.7","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(3,5-Dimethylphenyl)-4-nitrobenzenesulfonamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C112 H112 N16 O32 S8 -","8","2","BT6865","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3,5-Dimethylphenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3425","","10.1107/S1600536812047502","","","0.71073","MoKα","","0.0689","0.0389","","","0.065","0.0743","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236827","7.6404","0.0003","15.1703","0.0007","15.9168","0.0007","90","","90","","90","","1844.87","0.14","120","0.14","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-[1,2-Phenylenebis(azanediyl)]diacetonitrile","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","BT6866","Rivera, Augusto; Jiménez-Cruz, Leonardo; Maldonado, Mauricio; Kučeráková, Monika; Dušek, Michal","2,2'-[1,2-Phenylenebis(azanediyl)]diacetonitrile","Acta Crystallographica Section E","2012","68","12","o3429","","10.1107/S1600536812047538","","","1.5418","CuKα","","0.0477","0.0393","","","0.0991","0.1043","","","","","","1.55","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236828","11.5913","0.0005","12.7572","0.0005","17.797","0.0007","90","","90","","90","","2631.69","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonylbis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)iron","","- C25 H40 Fe N4 O3 -","- C25 H40 Fe N4 O3 -","- C100 H160 Fe4 N16 O12 -","4","1","BT6867","Ahmida, Aziza; Flörke, Ulrich; Henkel, Gerald","Tricarbonylbis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)iron","Acta Crystallographica Section E","2012","68","12","m1556","","10.1107/S1600536812048179","","","0.71073","MoKα","","0.0363","0.0333","","","0.0801","0.0818","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236829","11.5959","0.0002","17.789","0.0004","8.761","0.0002","90","","97.06","0.001","90","","1793.51","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Bromophenyl)-2-phenylpyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one","","- C24 H15 Br O3 -","- C24 H15 Br O3 -","- C96 H60 Br4 O12 -","4","1","BV2211","Gohain, Mukut; Loganathan, Nagarajan; Bezuidenhoudt, Barend C. B.; Roodt, Andreas","4-(2-Bromophenyl)-2-phenylpyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","12","o3279","o3280","10.1107/S1600536812044510","","","0.71073","MoKα","","0.0311","0.0269","","","0.0662","0.0681","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236830","6.344","0.003","8.766","0.004","12.056","0.006","79.1","0.03","86.05","0.03","85.72","0.03","655.5","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4-Methyl-2,6-bis(pyrrolidin-1-yl)pyrimidine","","- C13 H20 N4 -","- C13 H20 N4 -","- C26 H40 N8 -","2","1","BV2214","Sreenivasa, S.; ManojKumar, K. E.; Shet Prakash, M.; Suchetan, P. A.; Palakshamurthy, B. S.","4-Methyl-2,6-bis(pyrrolidin-1-yl)pyrimidine","Acta Crystallographica Section E","2012","68","12","o3440","","10.1107/S160053681204740X","","","0.71073","MoKα","","0.0897","0.066","","","","0.2271","","","","","","1.133","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236831","10.4825","0.0016","6.9213","0.0009","11.0212","0.0018","90","","95.97","0.007","90","","795.3","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","acetyldihydromicromylin A","(1<i>R</i>,3<i>R</i>,4<i>R</i>,6<i>S</i>)-4-(7-Methoxy-2-oxo-2<i>H</i>- chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate","","- C17 H16 O7 -","- C17 H16 O7 -","- C34 H32 O14 -","2","1","BX2427","Phakhodee, Wong; Laphookhieo, Surat; Prior, Timothy John; Rujiwatra, Apinpus","(1<i>R</i>,3<i>R</i>,4<i>R</i>,6<i>S</i>)-4-(7-Methoxy-2-oxo-2<i>H</i>-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate","Acta Crystallographica Section E","2012","68","12","o3421","o3422","10.1107/S1600536812047617","","","0.71073","MoKα","","0.0592","0.046","","","0.1236","0.136","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236832","9.3676","0.0003","12.7079","0.0009","18.1998","0.0009","75.458","0.005","89.623","0.003","82.323","0.004","2077.5","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","Tris(5,6-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide)","","- C50 H36 Fe N12 -","- C50 H36 Fe N12 -","- C100 H72 Fe2 N24 -","2","1","BX2428","Váhovská, Lucia; Potočňák, Ivan","Tris(5,6-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide)","Acta Crystallographica Section E","2012","68","12","m1524","m1525","10.1107/S1600536812046880","","","0.71073","MoKα","","0.0724","0.0501","","","0.1158","0.1247","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236833","20.022","0.005","7.7985","0.0009","17.651","0.003","90","","129.12","0.03","90","","2138.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(2,4-DMepyrH)2.HgBr4","Bis(2,4-dimethylpyridinium) tetrabromidomercurate(II)","","- C14 H20 Br4 Hg N2 -","- C14 H20 Br4 Hg N2 -","- C56 H80 Br16 Hg4 N8 -","4","0.5","BX2429","Al-Far, Rawhi; Haddad, Salim F.; Ali, Basem F.","Bis(2,4-dimethylpyridinium) tetrabromidomercurate(II)","Acta Crystallographica Section E","2012","68","12","m1499","","10.1107/S1600536812046788","","","0.71073","MoKα","","0.1116","0.0497","","","0.0824","0.102","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236834","35.408","0.007","16.106","0.003","12.056","0.002","90","","102.22","0.03","90","","6720","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(perchlorate)","","- C36 H24 Cl2 N6 O8 Ru -","- C36 H24 Cl1.9995 N6 O8.0005 Ru -","- C288 H192 Cl15.996 N48 O64.004 Ru8 -","8","1","BX2430","Kozlowska, Mariana; Rodziewicz, Pawel; Brus, Diana Malgorzata; Czyrko, Justyna; Brzezinski, Krzysztof","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","12","m1570","m1571","10.1107/S1600536812048428","","","0.71073","MoKα","","0.0892","0.0711","","","0.1988","0.2183","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236835","9.7981","0.0003","13.6139","0.0005","16.7098","0.0006","74.363","0.002","80.464","0.002","83.563","0.002","2111.42","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,4-Bis(2-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","2","CV5345","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(2-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","12","o3282","","10.1107/S1600536812044856","","","0.71073","MoKα","","0.0911","0.0513","","","0.1246","0.1499","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236836","10.0893","0.0008","10.8325","0.0009","14.4937","0.0012","90.346","0.002","91.748","0.001","106.979","0.001","1514.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate","","- C33 H42 Cl2 P Ru -","- C33 H42 Cl2 P Ru -","- C66 H84 Cl4 P2 Ru2 -","2","1","CV5349","Muller, Alfred; Davis, Wade L.","(η^6^-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate","Acta Crystallographica Section E","2012","68","12","m1446","m1447","10.1107/S1600536812044674","","","0.71073","MoKα","","0.0203","0.018","","","0.0465","0.0481","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236837","5.7806","0.0006","7.9407","0.0007","9.6089","0.0009","82.579","0.007","76.793","0.007","83.51","0.007","424.21","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(2<i>E</i>)-1-Phenyl-2-[1-(2-phenylprop-2-en-1-yl)pyrrolidin-2-ylidene]ethanone","","- C21 H21 N O -","- C21 H21 N O -","- C21 H21 N O -","1","1","CV5350","Madeley, Lee G.; Morgans, Garreth L.; Lemmerer, Andreas; Michael, Joseph P.","(2<i>E</i>)-1-Phenyl-2-[1-(2-phenylprop-2-en-1-yl)pyrrolidin-2-ylidene]ethanone","Acta Crystallographica Section E","2012","68","12","o3281","","10.1107/S1600536812044443","","","0.71073","MoKα","","","0.0435","","","","0.1188","","","","","","0.982","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236838","16.2317","0.001","10.7821","0.0006","14.2098","0.0008","90","","105.157","0.001","90","","2400.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{<i>N</i>-[(diethylamino)dimethylsilyl]anilido- κ<i>N</i>}(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane- 1,2-diamine-κ^2^<i>N</i>,<i>N</i>')iron(II)","","- C18 H37 Cl Fe N4 Si -","- C18 H37 Cl Fe N4 Si -","- C72 H148 Cl4 Fe4 N16 Si4 -","4","1","CV5351","Chen, Juan","Chlorido{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-κ<i>N</i>}(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')iron(II)","Acta Crystallographica Section E","2012","68","12","m1444","","10.1107/S1600536812044741","","","0.71073","MoKα","","0.1085","0.0604","","","0.156","0.1903","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236839","10.486","0.001","11.036","0.0011","11.363","0.0011","85.787","0.002","63.924","0.002","78.37","0.002","1156.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis[tris(4-methoxylphenyl)phosphane- κ<i>P</i>]platinum(II) acetone disolvate","","- C48 H54 Cl2 O8 P2 Pt -","- C48 H54 Cl2 O8 P2 Pt -","- C48 H54 Cl2 O8 P2 Pt -","1","0.5","CV5352","Muller, Alfred","<i>trans</i>-Dichloridobis[tris(4-methoxylphenyl)phosphane-κ<i>P</i>]platinum(II) acetone disolvate","Acta Crystallographica Section E","2012","68","12","m1475","","10.1107/S1600536812045643","","","0.71069","MoKα","","0.0194","0.019","","","","0.0401","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236840","16.62","0.003","11.6","0.002","20.168","0.004","90","","92.41","0.03","90","","3884.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-aqua-diaquabis(μ-furan-2,5-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^5^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]","","- C39 H33 Cu2 N5 O14 -","- C39 H33 Cu2 N5 O14 -","- C156 H132 Cu8 N20 O56 -","4","1","CV5353","Li, Ya-Feng; Qin, Xiao-Lin; Xu, Yue; Yuan, Yong-Peng; Gao, Wen-Yuan","Poly[[μ-aqua-diaquabis(μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]","Acta Crystallographica Section E","2012","68","12","m1484","m1485","10.1107/S1600536812046041","","","0.71073","MoKα","","0.0604","0.0413","","","0.101","0.11","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236841","9.8248","0.0003","11.0222","0.0003","12.345","0.0004","72.934","0.001","74.167","0.001","74.059","0.001","1201.67","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-oxo-8-trifluoromethyl-1,4-dihydroquinoline-3-carboxylate","","- C13 H10 F3 N O3 -","- C13 H10 F3 N O3 -","- C52 H40 F12 N4 O12 -","4","2","CV5354","Garudachari, B.; Islor, Arun M.; Satyanarayan, M. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Ethyl 4-oxo-8-trifluoromethyl-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","12","o3304","o3305","10.1107/S1600536812045321","","","0.71073","MoKα","","0.0472","0.0396","","","0.1075","0.116","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236842","10.441","0.005","9.639","0.004","11.48","0.005","90","","98.956","0.006","90","","1141.3","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(1<i>H</i>-benzimidazol-2-yl)acetato- κ^2^<i>N</i>^3^,<i>O</i>]bis(ethanol-κ<i>O</i>)nickel(II)","","- C22 H26 N4 Ni O6 -","- C22 H26 N4 Ni O6 -","- C44 H52 N8 Ni2 O12 -","2","0.5","CV5355","Wang, Jun; Nie, Jian-Hua","Bis[2-(1<i>H</i>-benzimidazol-2-yl)acetato-κ^2^<i>N</i>^3^,<i>O</i>]bis(ethanol-κ<i>O</i>)nickel(II)","Acta Crystallographica Section E","2012","68","12","m1461","","10.1107/S160053681204514X","","","0.71073","MoKα","","0.0981","0.0491","","","0.0873","0.1072","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236843","9.114","0.0013","10.97","0.0014","18.383","0.0017","88.51","0.01","85.455","0.009","83.034","0.012","1818.4","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","Dabigatran etexilate tetrahydrate","Ethyl 3-{[2-({4-[(<i>Z</i>)-amino(hexyloxycarbonylimino)methyl]anilino}methyl)-1- methylbenzimidazole-5-carbonyl]pyridin-2-ylamino}propanoate tetrahydrate","","- C34 H49 N7 O9 -","- C34 H49 N7 O9 -","- C68 H98 N14 O18 -","2","1","CV5357","Liu, Hong-Qiang; Zhang, Wei-Guang; Cai, Zhi-Qiang; Xu, Wei-Ren; Shen, Xiu-Ping","Dabigatran etexilate tetrahydrate","Acta Crystallographica Section E","2012","68","12","o3385","","10.1107/S1600536812046673","","","0.71073","MoKα","","0.0567","0.0386","","","0.097","0.1025","","","","","","0.962","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236844","13.5866","0.0005","6.4212","0.0002","14.1047","0.0005","90","","109.389","0.002","90","","1160.74","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>O</i>-methyl (4-ethoxyphenyl)dithiophosphonato- κ^2^<i>S</i>,<i>S</i>']nickel(II)","","- C18 H24 Ni O4 P2 S4 -","- C18 H24 Ni O4 P2 S4 -","- C36 H48 Ni2 O8 P4 S8 -","2","0.5","CV5358","Sewpersad, Shirveen; Omondi, Bernard; Van Zyl, Werner E.","Bis[<i>O</i>-methyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section E","2012","68","12","m1483","","10.1107/S1600536812046314","","","0.71073","MoKα","","0.0263","0.0232","","","0.0598","0.0623","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236845","11.4447","0.0011","7.1447","0.0007","12.803","0.0012","90","","90","","90","","1046.89","0.17","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,5-diaminopyridine","Pyridine-2,5-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","CV5359","Draguta, Sergiu; Khrustalev, Victor N.; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Pyridine-2,5-diamine","Acta Crystallographica Section E","2012","68","12","o3353","","10.1107/S1600536812046260","","","0.71073","MoKα","","0.0582","0.0415","","","0.0994","0.1094","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236846","11.1058","0.0004","7.2672","0.0003","22.5024","0.0009","90","","101.012","0.0011","90","","1782.69","0.12","223.1","","223.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,5-Diphenylthiocarbazonato-κ<i>S</i>)trimethyltin(IV)","","- C16 H20 N4 S Sn -","- C16 H20 N4 S Sn -","- C64 H80 N16 S4 Sn4 -","4","1","CV5361","Von Eschwege, Karel G.; Swarts, Jannie C.; Aquino, Manuel A. S.; Cameron, T. Stanley","(1,5-Diphenylthiocarbazonato-κ<i>S</i>)trimethyltin(IV)","Acta Crystallographica Section E","2012","68","12","m1518","","10.1107/S1600536812047216","","","0.71075","MoKα","","","0.0271","","","","0.0272","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236847","6.4961","0.0008","9.8047","0.001","12.7464","0.0013","112.13","0.009","95.507","0.01","96.601","0.009","738.45","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-2-<i>m</i>-tolylacetohydrazide","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","CV5364","Praveen, A. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Narayana, B.","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-2-<i>m</i>-tolylacetohydrazide","Acta Crystallographica Section E","2012","68","12","o3435","","10.1107/S1600536812047113","","","1.54184","CuKα","","0.0735","0.0521","","","0.1357","0.1582","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236848","5.5746","0.0002","16.4083","0.0006","18.093","0.0008","90","","96.5018","0.0014","90","","1644.32","0.11","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-oxo-4-phenyl-2-[(<i>Z</i>)-2-(pyridin-2-yl)ethenyl]- 1,4,5,6-tetrahydropyridine-3-carboxylate","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","CV5365","Smits, Rufus; Belyakov, Sergey; Vigante, Brigita; Duburs, Gunars","Methyl 6-oxo-4-phenyl-2-[(<i>Z</i>)-2-(pyridin-2-yl)ethenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2012","68","12","o3489","","10.1107/S1600536812048532","","","0.71073","MoKα","","0.1197","0.0603","","","0.1216","0.1489","","","","","","0.958","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236849","9.1006","0.0011","6.2458","0.0008","10.5598","0.0013","90","","100.952","0.002","90","","589.29","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Methylpyridin-2-amine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CV5366","Draguta, Sergiu; Khrustalev, Victor N.; Sandhu, Bhupinder; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","6-Methylpyridin-2-amine","Acta Crystallographica Section E","2012","68","12","o3466","","10.1107/S1600536812047800","","","0.71073","MoKα","","0.0502","0.0431","","","0.1242","0.13","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236850","12.1614","0.001","22.4915","0.0018","5.0444","0.0004","90","","90","","90","","1379.79","0.19","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-chloro-3-(p-tolylamino)naphthalene-1,4-dione","2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","DS2213","Gao, Li-Jiu; Liu, Yun","2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione","Acta Crystallographica Section E","2012","68","12","o3378","","10.1107/S1600536812045229","","","0.71073","MoKα","","0.0452","0.0398","","","0.1038","0.1193","","","","","","1.268","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236851","8.447","0.005","18.454","0.014","21.735","0.015","90","","90","","90","","3388","4","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2a<i>R</i>*,5<i>S</i>*,6a<i>S</i>*,8a<i>S</i>*,<i>E</i>)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1<i>H</i>- pentaleno[1,6-<i>bc</i>]oxepine-4-carboxylate","","- C17 H24 O5 -","- C17 H24 O5 -","- C136 H192 O40 -","8","1","DS2220","Mehta, Goverdhan; Kumar, C. S. Ananda; Sen, Saikat","(2a<i>R</i>*,5<i>S</i>*,6a<i>S</i>*,8a<i>S</i>*,<i>E</i>)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1<i>H</i>-pentaleno[1,6-<i>bc</i>]oxepine-4-carboxylate","Acta Crystallographica Section E","2012","68","12","o3392","o3393","10.1107/S1600536812046776","","","0.71073","MoKα","","0.1432","0.0532","","","0.1218","0.1485","","","","","","0.885","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236852","15.906","0.004","14.737","0.003","21.57","0.005","90","","98.846","0.007","90","","4996","2","168","2","168","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1<i>H</i>-1,2,3-triazol-4-yl]phenyl}- 1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane","","- C58 H44 N6 S8 -","- C58 H44 N6 S8 -","- C232 H176 N24 S32 -","4","0.5","FB2271","Mulla, Karimulla; Zhao, Yuming; Dawe, Louise N.","1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1<i>H</i>-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane","Acta Crystallographica Section E","2012","68","12","o3298","o3299","10.1107/S1600536812045254","","","0.71075","MoKα","","0.0729","0.0576","","","0.1476","0.1597","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236853","22.349","0.004","6.0328","0.001","7.3673","0.0012","90","","107.98","0.003","90","","944.8","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-[(4-Bromobenzylidene)amino]ethanol","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C36 H40 Br4 N4 O4 -","4","1","FB2276","Moodley, Vashen; Van Zyl, Werner E.","2-[(4-Bromobenzylidene)amino]ethanol","Acta Crystallographica Section E","2012","68","12","o3477","","10.1107/S1600536812048155","","","0.71073","MoKα","","0.028","0.025","","","0.058","0.0588","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236854","10.0945","0.0019","15.759","0.003","16.122","0.003","106.72","0.008","92.259","0.008","90.616","0.008","2453.7","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1λ^5^- phosphatricyclo[3.3.3.0^1,5^]undecan-5-ium chloride dihydrate","","- C18 H44 Cl N4 O2 P -","- C18 H44 Cl N4 O2 P -","- C72 H176 Cl4 N16 O8 P4 -","4","2","FF2086","Lee, Junseong; Kim, Youngjo","2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1λ^5^-phosphatricyclo[3.3.3.0^1,5^]undecan-5-ium chloride dihydrate","Acta Crystallographica Section E","2012","68","12","o3317","","10.1107/S1600536812045618","","","0.71073","MoKα","","0.1299","0.068","","","0.1745","0.2124","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236855","9.2846","0.0015","10.7203","0.0018","29.982","0.004","90","","90","","90","","2984.2","0.8","298","1","298","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,6β-diacetoxy-5β-methyl-19-norcholest-9(10)-ene","19(10→5)-<i>abeo</i>-5β-cholest-9-ene-3β,6β-diyl diacetate","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","FF2087","Ramírez Hernández, Johana; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Vega Báez, José Luis; Bernès, Sylvain","Westphalen's diol diacetate: 19(10\ρightarrow 5)-<i>abeo</i>-5β-cholest-9-ene-3β,6β-diyl diacetate","Acta Crystallographica Section E","2012","68","12","o3331","","10.1107/S1600536812045278","","","0.71073","MoKα","","0.0586","0.0482","","","0.1259","0.1355","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236856","11.079","0.003","11.985","0.003","12.253","0.003","62.908","0.004","84.418","0.004","80.862","0.004","1429.5","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato- κ^2^<i>S</i>:<i>S</i>']bis{[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']mercury(II)}","","- C44 H64 Hg2 O8 P4 S8 -","- C44 H64 Hg2 O8 P4 S8 -","- C44 H64 Hg2 O8 P4 S8 -","1","0.5","FF2088","Sewpersad, Shirveen; Van Zyl, Werner E.","Bis[μ-<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>:<i>S</i>']bis{[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']mercury(II)}","Acta Crystallographica Section E","2012","68","12","m1488","m1489","10.1107/S1600536812046624","","","0.71073","MoKα","","0.0294","0.0227","","","0.0465","0.0487","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236857","15.9974","0.0012","10.7474","0.0007","19.5478","0.0013","90","","111.461","0.002","90","","3127.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Fluorobenzoyl)-<i>N</i>',<i>N</i>''-diisopropylphosphoric triamide","","- C13 H21 F N3 O2 P -","- C13 H21 F N3 O2 P -","- C104 H168 F8 N24 O16 P8 -","8","2","FF2089","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","<i>N</i>-(4-Fluorobenzoyl)-<i>N</i>',<i>N</i>''-diisopropylphosphoric triamide","Acta Crystallographica Section E","2012","68","12","o3406","o3407","10.1107/S1600536812046326","","","0.71073","MoKα","","0.0676","0.0505","","","0.1269","0.1404","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236858","8.4432","0.0005","5.303","0.0004","16.3443","0.0011","90","","90.453","0.006","90","","731.78","0.09","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Diphenyl (isopropylamido)phosphate","","- C15 H18 N O3 P -","- C15 H18 N O3 P -","- C30 H36 N2 O6 P2 -","2","1","FF2090","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Babiak, Michal","Diphenyl (isopropylamido)phosphate","Acta Crystallographica Section E","2012","68","12","o3459","","10.1107/S1600536812047940","","","0.71073","MoKα","","0.0286","0.0273","","","0.08","0.0808","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236859","10.9512","0.0005","18.1315","0.0009","12.5453","0.0007","90","","96.594","0.002","90","","2474.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium tetraphenylborate","","- C29 H34 B N3 -","- C29 H34 B N3 -","- C116 H136 B4 N12 -","4","1","FF2091","Tiritiris, Ioannis","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium tetraphenylborate","Acta Crystallographica Section E","2012","68","12","o3500","","10.1107/S160053681204860X","","","0.71073","MoKα","","0.0463","0.0411","","","0.1073","0.1123","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236860","7.1049","0.0007","10.3558","0.0008","13.4325","0.0009","90","","90","","90","","988.32","0.14","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzamidinium nitrate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","1","FI2127","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium nitrate","Acta Crystallographica Section E","2012","68","12","o3334","","10.1107/S1600536812045874","","","0.71069","MoKα","","0.0539","0.0377","","","0.0784","0.0829","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236861","6.4438","0.0019","15.2328","0.0015","9.9672","0.0008","90","","98.416","0.019","90","","967.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-4-yl)acetate","","- C7 H11 N3 O2 S -","- C7 H11 N3 O2 S -","- C28 H44 N12 O8 S4 -","4","1","FJ2601","Karczmarzyk, Zbigniew; Pitucha, Monika; Wysocki, Waldemar; Fruziński, Andrzej; Olender, Ewa","Ethyl 2-(3-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-4-yl)acetate","Acta Crystallographica Section E","2012","68","12","o3264","o3265","10.1107/S1600536812044716","","","0.71073","MoKα","","0.1413","0.062","","","0.1627","0.1975","","","","","","0.93","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236862","5.785","0.0001","14.7824","0.0003","14.3589","0.0003","90","","104.858","0.001","90","","1186.86","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1'-[2,4-Bis(3-nitrophenyl)cyclobutane-1,3-diyl]diphenylmethanone","[3-Benzoyl-2,4-bis(3-nitrophenyl)cyclobutyl](phenyl)methanone","","- C30 H22 N2 O6 -","- C30 H22 N2 O6 -","- C60 H44 N4 O12 -","2","0.5","FJ2603","Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","[3-Benzoyl-2,4-bis(3-nitrophenyl)cyclobutyl](phenyl)methanone","Acta Crystallographica Section E","2012","68","12","o3272","o3273","10.1107/S1600536812044650","","","0.71073","MoKα","","0.0523","0.0399","","","0.1017","0.1109","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236863","8.0163","0.0004","8.0163","0.0004","35.3103","0.0018","90","","90","","90","","2269.1","0.2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Poly[[μ-<i>N</i>,<i>N</i>'-bis(2-hydroxyethyl)- <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylpropane-1,3-diaminium- κ^2^<i>O</i>:<i>O</i>']tetra-μ-bromido-dibromidodimanganese(II)]","","- C11 H28 Br6 Mn2 N2 O2 -","- C11 H28 Br6 Mn2 N2 O2 -","- C44 H112 Br24 Mn8 N8 O8 -","4","0.5","FJ2604","Rinta, Heikki; Peuronen, Anssi; Lahtinen, Manu","Poly[[μ-<i>N</i>,<i>N</i>'-bis(2-hydroxyethyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylpropane-1,3-diaminium-κ^2^<i>O</i>:<i>O</i>']tetra-μ-bromido-dibromidodimanganese(II)]","Acta Crystallographica Section E","2012","68","12","m1453","m1454","10.1107/S1600536812044765","","","0.71073","MoKα","","0.0242","0.0214","","","0.0462","0.047","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236864","8.9167","0.0003","8.9223","0.0003","13.4125","0.0005","102.895","0.001","97.098","0.002","116.035","0.001","904.22","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(2-ethoxy-2-oxoethoxy)-6-(trifluoromethyl)furo[3,2-<i>c</i>]quinoline-2-carboxylate","","- C19 H16 F3 N O6 -","- C19 H16 F3 N O6 -","- C38 H32 F6 N2 O12 -","2","1","FJ2605","Garudachari, B.; Islor, Arun M.; Vijesh, A. M.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Ethyl 3-(2-ethoxy-2-oxoethoxy)-6-(trifluoromethyl)furo[3,2-<i>c</i>]quinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","12","o3389","o3390","10.1107/S1600536812046843","","","0.71073","MoKα","","0.0378","0.0336","","","0.0914","0.096","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236865","9.4227","0.0002","15.6479","0.0003","9.5281","0.0002","90","","102.878","0.001","90","","1369.54","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>O</i>-propyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)","","- C22 H32 Ni O4 P2 S4 -","- C22 H32 Ni O4 P2 S4 -","- C44 H64 Ni2 O8 P4 S8 -","2","0.5","FJ2606","Sewpersad, Shirveen; Omondi, Bernard; Van Zyl, Werner E.","Bis[<i>O</i>-propyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section E","2012","68","12","m1534","","10.1107/S1600536812047368","","","0.71073","MoKα","","0.0193","0.0186","","","0.0522","0.0529","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236866","9.6305","0.0011","13.8027","0.0014","21.36","0.002","82.484","0.002","84.635","0.002","79.975","0.002","2764.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Bis(diphenylthiophosphinoyl)-4-ethylaniline","","- C32 H29 N P2 S2 -","- C32 H29 N P2 S2 -","- C128 H116 N4 P8 S8 -","4","2","FJ2607","Ajibade, Peter A.; Onwudiwe, Damian C.; Omondi, Bernard","<i>N</i>,<i>N</i>-Bis(diphenylthiophosphinoyl)-4-ethylaniline","Acta Crystallographica Section E","2012","68","12","o3491","o3492","10.1107/S1600536812048416","","","0.71073","MoKα","","0.0748","0.0419","","","0.0926","0.1071","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236867","7.7532","0.0003","9.3081","0.0003","15.6969","0.0003","86.39","0.002","89.813","0.002","87.656","0.002","1129.61","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1618 C20H18N2O5S+DMF","4-({(<i>Z</i>)-5-[(<i>Z</i>)-3-Ethoxy-4-hydroxybenzylidene]-3-methyl-4-oxo- 1,3-thiazolidin-2-ylidene}amino)benzoic acid; dimethylformamide monosolvate","","- C23 H25 N3 O6 S -","- C23 H25 N3 O6 S -","- C46 H50 N6 O12 S2 -","2","1","FK2066","Kosma, Paul; Selzer, Edgar; Mereiter, Kurt","4-({(<i>Z</i>)-5-[(<i>Z</i>)-3-Ethoxy-4-hydroxybenzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","12","o3417","o3418","10.1107/S1600536812047307","","","0.71073","MoKα","","0.0364","0.0332","","","0.0905","0.0936","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236868","7.5263","0.0002","16.2157","0.0004","20.885","0.0005","90","","90","","90","","2548.89","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3β-Chloro-<i>N</i>-methoxy-<i>N</i>-methylcholest-5-ene-24-carboxamide","","- C26 H42 Cl N O2 -","- C26 H42 Cl N O2 -","- C104 H168 Cl4 N4 O8 -","4","1","FY2071","González, Karilys; Nieves, Karinel; Rodríguez, Abimael D.","3β-Chloro-<i>N</i>-methoxy-<i>N</i>-methylcholest-5-ene-24-carboxamide","Acta Crystallographica Section E","2012","68","12","o3471","","10.1107/S160053681204679X","","","0.71073","MoKα","","0.1123","0.0557","","","0.131","0.1565","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236869","14.329","0.005","6.082","0.005","20.401","0.005","90","","91.608","0.005","90","","1777.2","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-(trifluoromethoxy)isatin","5-(trifluoromethoxy)-1<i>H</i>-indole-2,3-dione","","- C9 H4 F3 N O3 -","- C9 H4 F3 N O3 -","- C72 H32 F24 N8 O24 -","8","2","FY2072","Schutte, M.; Pretorius, C.; Visser, H.G.; Roodt, A.","5-(Trifluoromethoxy)isatin","Acta Crystallographica Section E","2012","68","12","o3472","","10.1107/S1600536812044297","","","0.71069","MoKα","","0.0504","0.0364","","","","0.1019","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236870","14.45","0.0005","14.33","0.0005","6.9918","0.0002","90","","97.804","0.002","90","","1434.37","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate","","- C12 H12 Cl N3 O5 -","- C12 H12 Cl N3 O5 -","- C48 H48 Cl4 N12 O20 -","4","1","FY2073","Savig, Kelsey L.; Lemmerer, Andreas","4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate","Acta Crystallographica Section E","2012","68","12","o3361","","10.1107/S1600536812046077","","","0.71073","MoKα","","","0.0434","","","","0.1216","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236871","21.435","0.006","8.897","0.003","12.738","0.004","90","","111.753","0.003","90","","2256.2","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(10<i>H</i>-phenothiazin-10-yl)ethanone","","- C14 H11 N O S -","- C14 H11 N O S -","- C112 H88 N8 O8 S8 -","8","1","FY2074","Tokunaga, Eri; Okuno, Tsunehisa","1-(10<i>H</i>-phenothiazin-10-yl)ethanone","Acta Crystallographica Section E","2012","68","12","o3369","","10.1107/S1600536812045904","","","0.71075","MoKα","","","0.031","","","","0.0806","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236872","9.4736","0.0003","19.6185","0.0007","10.8018","0.0003","90","","108.833","0.001","90","","1900.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Cyclopentyl-2-(4-fluorophenyl)-3-isopropylsulfonyl-1-benzofuran","","- C22 H23 F O3 S -","- C22 H23 F O3 S -","- C88 H92 F4 O12 S4 -","4","1","FY2075","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-(4-fluorophenyl)-3-isopropylsulfonyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3336","","10.1107/S1600536812045916","","","0.71073","MoKα","","0.0482","0.0397","","","0.0974","0.1026","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236873","9.3077","0.0003","12.9458","0.0006","19.8381","0.0006","107.875","0.001","98.461","0.002","92.718","0.002","2239.35","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis{(<i>E</i>)-3-[2-(hydroxyimino)propanamido]-2,2-dimethylpropan-1-aminium} bis[μ-(<i>E</i>)-<i>N</i>-(3-amino-2,2-dimethylpropyl)-2- (hydroxyimino)propanamido(2-)]bis{[(<i>E</i>)-<i>N</i>-(3-amino- 2,2-dimethylpropyl)-2-(hydroxyimino)propanamide]copper(II)} bis((<i>E</i>)-{3-[2-(hydroxyimino)propanamido]-2,2-dimethylpropyl}carbamate) acetonitrile disolvate","","- C70 H138 Cu2 N26 O20 -","- C70 H138 Cu2 N26 O20 -","- C70 H138 Cu2 N26 O20 -","1","0.5","GG2096","Buvailo, Andrii I.; Pavlishchuk, Anna V.; Penkova, Larysa V.; Kotova, Natalia V.; Haukka, Matti","Bis{(<i>E</i>)-3-[2-(hydroxyimino)propanamido]-2,2-dimethylpropan-1-aminium} bis[μ-(<i>E</i>)-<i>N</i>-(3-amino-2,2-dimethylpropyl)-2-(hydroxyimino)propanamido(2{-})]bis{[(<i>E</i>)-<i>N</i>-(3-amino-2,2-dimethylpropyl)-2-(hydroxyimino)propanamide]copper(II)} bis((<i>E</i>)-{3-[2-(hydroxyimino)propanamido]-2,2-dimethylpropyl}carbamate) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","12","m1480","m1481","10.1107/S160053681204620X","","","0.71073","MoKα","","0.0832","0.0533","","","0.1304","0.1469","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236874","6.1307","0.001","6.5226","0.0012","34.739","0.006","90.021","0.003","92.749","0.003","110.674","0.003","1298","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(1-Benzyl-1<i>H</i>-benzimidazol-2-yl)ethanone","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","2","GG2103","Zhang, Chuan-Jing; Xu, Xiu-Zhen; Yang, Ning; Zhao, Ren-Ying; Ge, Yan-Qing","1-(1-Benzyl-1<i>H</i>-benzimidazol-2-yl)ethanone","Acta Crystallographica Section E","2012","68","12","o3340","","10.1107/S1600536812043875","","","0.71073","MoKα","","0.0779","0.068","","","0.1818","0.1891","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236875","12.78","0.0004","4.953","0.0011","28.781","0.002","90","","97.726","0.005","90","","1805.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-Acetylaminobutyl-9-chloroquino[3,2-<i>b</i>]benzo[1,4]thiazine","<i>N</i>-[4-(9-Chloroquino[3,2-<i>b</i>]benzo[1,4]thiazin-6-yl)butyl]acetamide","","- C21 H20 Cl N3 O S -","- C21 H20 Cl N3 O S -","- C84 H80 Cl4 N12 O4 S4 -","4","1","GK2524","Jeleń, Małgorzata; Suwińska, Kinga; Pluta, Krystian; Morak-Młodawska, Beata","<i>N</i>-[4-(9-Chloroquino[3,2-<i>b</i>]benzo[1,4]thiazin-6-yl)butyl]acetamide","Acta Crystallographica Section E","2012","68","12","o3324","o3325","10.1107/S1600536812045680","","","0.71073","MoKα","","0.115","0.0667","","","0.1095","0.1269","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236876","10.2092","0.0008","11.7016","0.001","12.9915","0.001","89.297","0.002","85.016","0.002","69.034","0.001","1443.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato- κ^2^<i>S</i>,<i>S</i>']lead(II)","","- C22 H32 O4 P2 Pb S4 -","- C22 H32 O4 P2 Pb S4 -","- C44 H64 O8 P4 Pb2 S8 -","2","1","GK2529","Sewpersad, Shirveen; Van Zyl, Werner E.","Bis[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']lead(II)","Acta Crystallographica Section E","2012","68","12","m1502","","10.1107/S1600536812046818","","","0.71073","MoKα","","0.0245","0.02","","","0.0441","0.0454","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236877","13.3011","0.0004","10.1155","0.0003","19.5597","0.0006","90","","103.997","0.003","90","","2553.56","0.14","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) tricyanomethanide","","- C28 H16 Cu N8 O3 -","- C28 H16 Cu N8 O3 -","- C112 H64 Cu4 N32 O12 -","4","1","GK2531","Lacková, Katarína; Potočňák, Ivan","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tricyanomethanide","Acta Crystallographica Section E","2012","68","12","m1553","m1554","10.1107/S1600536812047757","","","0.71069","MoKα","","0.063","0.0398","","","0.0862","0.0969","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236878","5.8249","0.0011","11.248","0.002","27.207","0.006","90","","91.77","0.008","90","","1781.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5-dihexyl-thiophene 1,1-dioxide","2,5-Dihexylthiophene 1,1-dioxide","","- C16 H28 O2 S -","- C16 H28 O2 S -","- C64 H112 O8 S4 -","4","1","GK2532","Van Tonder, Johannes; Gohain, Mukut; Loganathan, Nagarajan; Bezuidenhoudt, Barend C. B.","2,5-Dihexylthiophene 1,1-dioxide","Acta Crystallographica Section E","2012","68","12","o3437","","10.1107/S1600536812046867","","","0.71073","MoKα","","0.0891","0.0622","","","0.1499","0.1672","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236879","4.9848","0.0003","38.714","0.002","10.3299","0.0007","90","","90","","90","","1993.5","0.2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride","","- C20 H26 Cl N3 O2 -","- C20 H26 Cl N3 O2 -","- C80 H104 Cl4 N12 O8 -","4","0.5","GO2068","AlDamen, Murad A.; Haddad, Salim F.","Bis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride","Acta Crystallographica Section E","2012","68","12","o3314","","10.1107/S1600536812045424","","","0.7107","MoKα","","0.0914","0.0759","","","0.1436","0.1503","","","","","","1.208","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236880","6.7369","0.0001","14.7635","0.0003","16.3543","0.0003","90","","90","","90","","1626.6","0.05","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","","- C16 H22 Br2 O -","- C16 H22 Br2 O -","- C64 H88 Br8 O4 -","4","1","GO2074","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; El Ammari, Lahcen; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","Acta Crystallographica Section E","2012","68","12","o3341","o3342","10.1107/S1600536812046089","","","0.71073","MoKα","","0.0366","0.0295","","","0.0713","0.0739","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236881","5.1351","0.0006","7.8346","0.0009","15.6157","0.0018","86.217","0.002","81.321","0.001","72.101","0.002","590.86","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2,2'-[4-Acetyl-1,3-phenylenebis(oxy)]diacetic acid","","- C12 H12 O7 -","- C12 H12 O7 -","- C24 H24 O14 -","2","1","GO2075","Wang, Jian-Guo; Yan, Ping; Zhong, Chan-juan; Yu, Guo-zhen","2,2'-[4-Acetyl-1,3-phenylenebis(oxy)]diacetic acid","Acta Crystallographica Section E","2012","68","12","o3470","","10.1107/S1600536812047897","","","0.71073","MoKα","","0.0392","0.0362","","","0.1155","0.1199","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236882","6.4486","0.0006","9.6324","0.0011","11.0837","0.0011","83.061","0.006","89.134","0.005","73.987","0.005","656.79","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MgM195","<i>N</i>-(2-Oxo-2<i>H</i>-chromen-3-yl)cyclohexanecarboxamide","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","GO2076","Matos, Maria J.; Santana, Lourdes; Uriarte, Eugenio","<i>N</i>-(2-Oxo-2<i>H</i>-chromen-3-yl)cyclohexanecarboxamide","Acta Crystallographica Section E","2012","68","12","o3447","o3448","10.1107/S1600536812047903","","","0.71073","MoKα","","0.0666","0.0451","","","0.1029","0.1125","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236883","16.372","0.004","8.795","0.002","12.007","0.003","90","","108.133","0.005","90","","1643","0.7","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4,6-dimethylpyrimidin-1-ium chloride","","- C6 H10 Cl N3 -","- C6 H10 Cl N3 -","- C48 H80 Cl8 N24 -","8","1","GW2128","Hu, Hui-Ling; Yeh, Chun-Wei","2-Amino-4,6-dimethylpyrimidin-1-ium chloride","Acta Crystallographica Section E","2012","68","12","o3372","","10.1107/S1600536812046569","","","0.71073","MoKα","","0.0661","0.0386","","","0.0966","0.1051","","","","","","0.898","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236884","7.225","0.0009","17.863","0.002","22.086","0.003","90","","90.162","0.008","90","","2850.4","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hexakis(lithium/sodium) undecamolybdate","","- Li0.17 Mo11 Na5.83 O36 -","- Li0.17 Mo11 Na5.832 O36 -","- Li0.68 Mo44 Na23.328 O144 -","4","0.5","HB6937","Ennajeh, Ines; Hamza, Hamadi; Zid, Mohamed Faouzi; Driss, Ahmed","Li~0.17~Na~5.83~Mo~11~O~36~","Acta Crystallographica Section E","2012","68","12","i88","","10.1107/S1600536812044224","","","0.71073","MoKα","","0.0383","0.0365","","","0.0946","0.0954","","","","","","1.327","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236885","8.765","0.005","10.697","0.005","11.062","0.005","106.994","0.005","92.226","0.005","90.977","0.005","990.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ-2,5-Dihydroxyterephthalato-bis[triaqua(1,10-phenanthroline)zinc] dihydroxyterephthalate","","- C40 H36 N4 O18 Zn2 -","- C40 H36 N4 O18 Zn2 -","- C40 H36 N4 O18 Zn2 -","1","0.5","HB6960","Liu, Hong; Liu, Bo; Zhang, Ai-Ping; Li, Chuan-Bi","μ-2,5-Dihydroxyterephthalato-bis[triaqua(1,10-phenanthroline)zinc] dihydroxyterephthalate","Acta Crystallographica Section E","2012","68","12","m1503","m1504","10.1107/S1600536812045837","","","0.71073","MoKα","","0.0469","0.036","","","0.0806","0.0861","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236886","13.5954","0.0003","8.0683","0.0002","25.9554","0.0007","90","","90","","90","","2847.09","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2<i>H</i>-1λ^6^,2,6-thiadiazin-4-yl)benzoate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C112 H128 N16 O32 S8 -","8","2","HB6962","Bhatt, Nilay; Bhatt, Pralav; Nimavat, Kiran; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2<i>H</i>-1λ^6^,2,6-thiadiazin-4-yl)benzoate","Acta Crystallographica Section E","2012","68","12","o3360","","10.1107/S1600536812046375","","","0.71073","MoKα","","0.0649","0.0372","","","0.0742","0.0825","","","","","","0.985","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236887","8.5815","0.0017","9.2928","0.0019","12.753","0.003","69.99","0.03","87.63","0.03","65.85","0.03","866.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ- furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate]","","- C16 H16 N2 O8 Zn -","- C16 H16 N2 O8 Zn -","- C32 H32 N4 O16 Zn2 -","2","1","HB6980","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan","<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate]","Acta Crystallographica Section E","2012","68","12","m1466","","10.1107/S1600536812045503","","","0.71073","MoKα","","0.0402","0.0356","","","0.0985","0.1016","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236888","7.1584","0.001","8.1183","0.0013","11.5338","0.0016","95.352","0.011","99.852","0.01","105.854","0.01","628.3","0.17","103","","103","","","","","","","","","4","P -1","-P 1","2","","2,6-Dichlorophenyl 4-chlorobenzoate","","- C13 H7 Cl3 O2 -","- C13 H7 Cl3 O2 -","- C26 H14 Cl6 O4 -","2","1","HB6981","Abdoh, M. M. M; Srinivasa Murthy, V.; Manjunath, B. C.; Shashikanth, S.; Lokanath, N. K.","2,6-Dichlorophenyl 4-chlorobenzoate","Acta Crystallographica Section E","2012","68","12","o3449","","10.1107/S1600536812047204","","","0.71073","MoKα","","0.0755","0.0538","","","0.1407","0.1579","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236889","5.7731","0.001","7.9855","0.0014","14.046","0.003","89.49","0.006","80.111","0.005","87.21","0.006","637.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Methyl 4-benzyloxy-2-hydroxybenzoate","","- C15 H14 O4 -","- C15 H14 O4 -","- C30 H28 O8 -","2","1","HB6982","Palakshamurthy, B. S.; Srinivasa, H. T.; Kumar, Vijith; Sreenivasa, S.; Devarajegowda, H. C.","Methyl 4-benzyloxy-2-hydroxybenzoate","Acta Crystallographica Section E","2012","68","12","o3382","","10.1107/S1600536812046491","","","0.71073","MoKα","","0.0588","0.0424","","","0.1182","0.1294","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236890","4.6894","0.0005","10.8353","0.0013","11.754","0.0013","77.721","0.01","83.805","0.009","82.112","0.01","576.13","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4-Phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C30 H24 N4 O2 -","2","1","HB6983","Akkurt, Mehmet; Kennedy, Alan R.; Younes, Sabry H. H.; Mohamed, Shaaban K.; Abdelhamid, Antar A.","4-Phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","12","o3356","","10.1107/S160053681204651X","","","0.71073","MoKα","","0.0833","0.0534","","","0.1175","0.1398","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236891","4.6152","0.0001","9.9444","0.0001","26.3152","0.0003","90","","90.692","0.001","90","","1207.66","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>Z</i>)-Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazono]acetate","(<i>Z</i>)-Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazinylidene]acetate","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C44 H52 Cl4 N8 O8 -","4","1","HB6984","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Zayed, Mohie E. M.; Alamry, Khalid A.; Bokhari, Tanveer Hussain","(<i>Z</i>)-Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazinylidene]acetate","Acta Crystallographica Section E","2012","68","12","o3420","","10.1107/S1600536812046521","","","1.54184","CuKα","","0.0429","0.04","","","0.1099","0.1129","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236892","6.6203","0.0002","14.1043","0.0003","14.4936","0.0003","113.862","0.001","97.771","0.002","98.06","0.002","1197.58","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate","","- C52 H38 N4 O8 -","- C52 H38 N4 O8 -","- C52 H38 N4 O8 -","1","0.5","HB6985","Miranda, Micael D.; Ramos Silva, Manuela; Maria, Teresa M. R.; Balakrishna, Avula; Sobral, Abilio J. F. N.","5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate","Acta Crystallographica Section E","2012","68","12","o3462","o3463","10.1107/S1600536812047332","","","0.71073","MoKα","","0.1133","0.0804","","","0.2281","0.2479","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236893","34.524","0.008","3.9994","0.0009","23.428","0.005","90","","126.804","0.003","90","","2590.1","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>E</i>)-3-(2-Bromophenyl)-1-(5-bromothiophen-2-yl)prop-2-en-1-one","","- C13 H8 Br2 O S -","- C13 H8 Br2 O S -","- C104 H64 Br16 O8 S8 -","8","2","HB6986","Vepuri, Suresh B.; Devarajegowda, H. C.; Jeyaseelan, S.; Anbazhagan, S.; Prasad, Y. Rajendra","(2<i>E</i>)-3-(2-Bromophenyl)-1-(5-bromothiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3456","","10.1107/S1600536812047939","","","0.71073","MoKα","","0.0756","0.0474","","","0.096","0.109","","","","","","0.974","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236894","24.7908","0.0012","8.2419","0.0004","13.8764","0.0006","90","","91.968","0.002","90","","2833.6","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(2-Amino-6-methylpyrimidin-4-yl)-<i>N</i>,<i>N</i>-dimethylpiperidin- 4-aminium chloride","","- C12 H22 Cl N5 -","- C12 H22 Cl N5 -","- C96 H176 Cl8 N40 -","8","1","HB6988","Sreenivasa, S.; ManojKumar, K.E.; Suchetan, P.A.; Srinivasan, T.; Palakshamurthy, B. S.; Velmurgan, D.","1-(2-Amino-6-methylpyrimidin-4-yl)-<i>N</i>,<i>N</i>-dimethylpiperidin-4-aminium chloride","Acta Crystallographica Section E","2012","68","12","o3371","","10.1107/S1600536812046533","","","0.71073","MoKα","","0.0397","0.0363","","","0.1048","0.1074","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236895","6.4301","0.0004","12.0307","0.0007","21.069","0.0013","90","","90","","90","","1629.87","0.17","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-[(3<i>R</i>)-8,8-dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>f</i>]chromen- 3-yl]benzene-1,3-diol","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","HB6989","Tantishaiyakul, Vimon; Suknuntha, Krit; Saithong, Saowanit; Pakawatchai, Chaveng","Glabridin","Acta Crystallographica Section E","2012","68","12","o3501","","10.1107/S1600536812048647","","","0.71073","MoKα","","0.0552","0.0464","","","0.0911","0.0946","","","","","","1.157","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236896","17.523","0.004","12.562","0.003","13.438","0.003","90","","123.44","0.03","90","","2468.4","1.3","223.15","","223.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) propane-1,3-diol monosolvate","","- C27 H24 Cu N4 O6 S -","- C27 H24 Cu N4 O6 S -","- C108 H96 Cu4 N16 O24 S4 -","4","1","HB6990","Zhong, Kai-Long","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) propane-1,3-diol monosolvate","Acta Crystallographica Section E","2012","68","12","m1555","","10.1107/S1600536812047721","","","0.71073","MoKα","","0.037","0.0358","","","0.0936","0.0944","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236897","7.24","0.003","8.635","0.004","19.545","0.008","90","","97.352","0.006","90","","1211.9","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(4-Methoxyphenyl)-6,7-dihydro-1<i>H</i>-furo[3,4-<i>c</i>]pyran-4(3<i>H</i>) -one","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","HB6991","Zhang, Jingyi; An, Ye; Zhang, Yikai; Shi, Guobing","3-(4-Methoxyphenyl)-6,7-dihydro-1<i>H</i>-furo[3,4-<i>c</i>]pyran-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","12","o3451","","10.1107/S160053681204723X","","","0.71073","MoKα","","0.0907","0.0737","","","0.2109","0.2265","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236898","10.1771","0.0002","19.923","0.0003","12.5723","0.0002","90","","90.386","0.002","90","","2549.08","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromidotetrakis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) bromide","","- C20 H32 Br2 Cu N8 -","- C20 H32 Br2 Cu N8 -","- C80 H128 Br8 Cu4 N32 -","4","1","HB6993","Godlewska, Sylwia; Kelm, Harald; Krüger, Hans-Jörg; Dołega, Anna","Bromidotetrakis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) bromide","Acta Crystallographica Section E","2012","68","12","m1529","","10.1107/S1600536812047447","","","1.54184","CuKα","","0.0266","0.0238","","","0.0592","0.06","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236899","9.463","0.002","17.303","0.004","8.5403","0.0018","90","","104.427","0.005","90","","1354.3","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Ethyl-2-phenylhydrazin-1-ylidene)indolin-2-one","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","HB6996","Ashiq, Uzma; Jamal, Rifat Ara; Ismail, Hina; Khan, Khalid Mohammed; Yousuf, Sammer","3-(2-Ethyl-2-phenylhydrazin-1-ylidene)indolin-2-one","Acta Crystallographica Section E","2012","68","12","o3473","","10.1107/S1600536812047988","","","0.71073","MoKα","","0.0681","0.0473","","","0.1045","0.1162","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236900","9.09","0.0008","9.9396","0.0009","13.8615","0.0012","90","","90","","90","","1252.4","0.19","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>'-(3-Chlorobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","HB6997","Saad, Syed Muhammad; Fatima, Itrat; Perveen, Shahnaz; Khan, Khalid M.; Yousuf, Sammer","<i>N</i>'-(3-Chlorobenzylidene)-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3499","","10.1107/S1600536812048325","","","0.71073","MoKα","","0.0448","0.0365","","","0.0762","0.081","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236901","42.313","0.006","8.0047","0.0011","16.1078","0.0018","90","","105.819","0.004","90","","5249.1","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Nitrophenyl 4-hydroxy-3-methylbenzoate","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C224 H176 N16 O80 -","16","2","HB6999","Sreenivasa, S.; Devarajegowda, H. C.; Srinivasa, H. T.; Kumar, Vijith; Palakshamurthy, B. S.","4-Nitrophenyl 4-hydroxy-3-methylbenzoate","Acta Crystallographica Section E","2012","68","12","o3490","","10.1107/S1600536812048271","","","0.71073","MoKα","","0.0692","0.0469","","","0.1275","0.1428","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236902","10.9624","0.0016","7.8687","0.0012","14.292","0.002","90","","106.727","0.002","90","","1180.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Cyano-Indole","1-[(1-Methyl-1<i>H</i>-imidazol-5-yl)methyl]-1<i>H</i>-indole-5-carbonitrile","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","HB7000","de Jager, Josephus Jacobus; Smith, Vincent J.","1-[(1-Methyl-1<i>H</i>-imidazol-5-yl)methyl]-1<i>H</i>-indole-5-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3486","","10.1107/S1600536812048404","","","0.71073","MoKα","","0.0553","0.0422","","","0.106","0.1129","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236903","11.8893","0.0002","6.0207","0.0001","15.8036","0.0003","90","","110.549","0.002","90","","1059.27","0.03","296","2","296","2","","","","","","","","5","I 1 a 1","I -2ya","9","","<i>cis</i>-Dichloridobis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)platinum(II)","","- C6 H16 Cl2 N2 Pt -","- C6 H16 Cl2 N2 Pt -","- C24 H64 Cl8 N8 Pt4 -","4","1","HB7001","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Ishaq, Muhammad; Alamry, Khalid A.; Bokhari, Tanveer Hussain","<i>cis</i>-Dichloridobis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)platinum(II)","Acta Crystallographica Section E","2012","68","12","m1562","","10.1107/S1600536812048295","","","1.54184","CuKα","","0.0442","0.0441","","","0.1152","0.1159","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236904","7.2745","0.0003","9.3164","0.0003","22.2744","0.0009","90","","90.927","0.003","90","","1509.39","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium iodide","","- C15 H17 Fe I N2 -","- C15 H17 Fe I N2 -","- C60 H68 Fe4 I4 N8 -","4","1","HG5258","Nyamori, Vincent O.; Zulu, Siphesihle M.; Omondi, Bernard","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium iodide","Acta Crystallographica Section E","2012","68","12","m1469","","10.1107/S1600536812045400","","","1.54184","CuKα","","0.0526","0.0489","","","0.1313","0.134","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236905","36.559","0.009","6.9044","0.0018","15.524","0.004","90","","103.852","0.003","90","","3804.6","1.7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-Aminopyrimidin-5-yl)-4-methyl-<i>N</i>-(4- methylphenylsulfonyl)benzenesulfonamide","","- C18 H18 N4 O4 S2 -","- C18 H18 N4 O4 S2 -","- C144 H144 N32 O32 S16 -","8","1","HG5262","Taher, Abu; Smith, Vincent J.","<i>N</i>-(4-Aminopyrimidin-5-yl)-4-methyl-<i>N</i>-(4-methylphenylsulfonyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3362","","10.1107/S1600536812046442","","","0.71073","MoKα","","0.0724","0.0458","","","0.1043","0.1156","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236906","8.5905","0.0002","10.8253","0.0003","11.3702","0.0003","91.021","0.001","97.922","0.001","93.445","0.001","1045.02","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2,6-dimethyl-4-[5-(4-methylphenyl)-1<i>H</i>-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H27 N3 O4 -","- C23 H27 N3 O4 -","- C46 H54 N6 O8 -","2","1","HG5264","Islor, Arun M.; Malladi, Shridhar; Telkar, Sandeep; Gerber, Thomas; Hosten, Eric; Betz, Richard","Diethyl 2,6-dimethyl-4-[5-(4-methylphenyl)-1<i>H</i>-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","12","o3269","o3270","10.1107/S1600536812044649","","","0.71073","MoKα","","0.0481","0.0414","","","0.1076","0.1133","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236907","10.1878","0.0003","16.6399","0.0004","17.4959","0.0005","90","","106.205","0.003","90","","2848.13","0.14","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1H-benzimidazole","1,2-Diphenyl-1<i>H</i>-benzimidazole","","- C19 H14 N2 -","- C19 H14 N2 -","- C152 H112 N16 -","8","1","HG5265","Rosepriya, S.; Thiruvalluvar, A.; Jayamoorthy, K.; Jayabharathi, J.; Öztürk Yildirim, Sema; Butcher, R. J.","1,2-Diphenyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","12","o3283","","10.1107/S1600536812044960","","","0.71073","MoKα","","0.0688","0.0521","","","0.1275","0.1369","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236908","9.1544","0.0004","18.9619","0.0008","12.979","0.0005","90","","105.623","0.004","90","","2169.72","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(5-Bromo-1<i>H</i>-indol-3-yl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione dimethyl sulfoxide monosolvate","","- C23 H25 Br N2 O3 S -","- C23 H25 Br N2 O3 S -","- C92 H100 Br4 N8 O12 S4 -","4","1","HG5266","El-Khouly, Ahmed; Öztürk Yildirim, Sema; Butcher, Ray J.; Şimsek, Rahime; Şafak, Cihat","9-(5-Bromo-1<i>H</i>-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","12","o3337","","10.1107/S1600536812045886","","","1.54184","CuKα","","0.054","0.0519","","","0.1349","0.1371","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236909","10.72","0.0003","7.4015","0.0002","20.8517","0.0006","90","","93.044","0.001","90","","1652.12","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene","","- C22 H18 Fe N2 -","- C22 H18 Fe N2 -","- C88 H72 Fe4 N8 -","4","2","HG5267","Nyamori, Vincent O.; Keru, Godfrey; Omondi, Bernard","(4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene","Acta Crystallographica Section E","2012","68","12","m1535","","10.1107/S1600536812047812","","","0.71073","MoKα","","0.0239","0.0221","","","0.0593","0.0607","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236910","20.08","0.0004","16.0136","0.0002","10.3752","0.0002","90","","117.69","0.003","90","","2954.1","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate","","- C14.5 H12 Cl2 N2 O S -","- C14.5 H12 Cl2 N2 O S -","- C116 H96 Cl16 N16 O8 S8 -","8","1","HG5268","Selvakumaran, N.; Sheeba, M. Mary; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","12","o3313","","10.1107/S1600536812045588","","","1.54184","CuKα","","0.0323","0.031","","","0.0888","0.0897","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236911","14.0044","0.0006","16.8802","0.0005","18.8341","0.0007","90","","105.582","0.004","90","","4288.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(5-bromo-1<i>H</i>-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate","","- C23 H25 Br N2 O3 -","- C23 H25 Br N2 O3 -","- C184 H200 Br8 N16 O24 -","8","2","HG5269","Gündüz, Miyase Gözde; Butcher, Ray J.; Öztürk Yildirim, Sema; El-Khouly, Ahmed; Şafak, Cihat; Şimşek, Rahime","Ethyl 4-(5-bromo-1<i>H</i>-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","12","o3404","o3405","10.1107/S1600536812046909","","","1.54184","CuKα","","0.0681","0.058","","","0.1495","0.159","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236912","7.489","0.003","9.338","0.004","13.274","0.005","65.674","0.013","69.975","0.016","73.639","0.017","783.9","0.6","123.15","","123","2","","","","","","","","6","P -1","-P 1","2","1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea","1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea","","- C16 H15 Cl N2 O S -","- C16 H15 Cl N2 O S -","- C32 H30 Cl2 N4 O2 S2 -","2","1","HG5274","Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin","1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","12","o3483","","10.1107/S1600536812048209","","","0.7107","MoKα","","0.038","0.0361","","","0.089","0.0903","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236913","10.5673","0.0009","21.5085","0.0019","15.1215","0.0014","90","","97.309","0.002","90","","3409","0.5","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-({[2-(methylsulfanyl)phenyl]imino}methyl)phenolato- κ^2^<i>N</i>,<i>O</i>]zinc chloroform disolvate","","- C30 H26 Cl6 N2 O2 S2 Zn -","- C30 H26 Cl6 N2 O2 S2 Zn -","- C120 H104 Cl24 N8 O8 S8 Zn4 -","4","0.5","HP2049","Chen, Yen-Jen; Hsiao, Mon-Wei; Jheng, Nai-Yuan; Lai, Yi-Chun; Chen, Hsuan-Ying","Bis[2-({[2-(methylsulfanyl)phenyl]imino}methyl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc chloroform disolvate","Acta Crystallographica Section E","2012","68","12","m1496","","10.1107/S1600536812045473","","","0.71073","MoKα","","0.0616","0.0438","","","0.1223","0.1354","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236914","10.102","0.002","11.629","0.002","12.796","0.003","98.56","0.03","93.07","0.03","93.04","0.03","1481.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Aquabis(nitrato-κ<i>O</i>)copper(II)]μ-{bis[5-methyl-3-(pyridin-2-yl)- 1<i>H</i>-pyrazol-4-yl]selenide}-[diaqua(nitrato-κ<i>O</i>)copper(II)] nitrate monohydrate","","- C18 H24 Cu2 N10 O16 Se -","- C18 H24 Cu2 N10 O16 Se -","- C36 H48 Cu4 N20 O32 Se2 -","2","1","HY2595","Seredyuk, Maksym; Pavlenko, Vadim A.; Gumienna-Kontecka, Elzbieta; Iskenderov, Turganbay S.","[Aquabis(nitrato-κ<i>O</i>)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl]selenide}-[diaqua(nitrato-κ<i>O</i>)copper(II)] nitrate monohydrate","Acta Crystallographica Section E","2012","68","12","m1472","m1473","10.1107/S1600536812045217","","","0.71073","MoKα","","0.1451","0.08","","","0.1887","0.2228","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236915","9.3","0.005","9.88","0.005","11.02","0.005","95.49","0.005","102.93","0.005","114","0.005","881.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquacopper(II)]-bis[μ-1,5-bis(1<i>H</i>-imidazol-1- yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] naphthalene-1,5-disulfonate]","","- C32 H38 Cu N8 O8 S2 -","- C32 H38 Cu N8 O8 S2 -","- C32 H38 Cu N8 O8 S2 -","1","0.5","HY2599","Zhang, Lai-Ping; Wen, Shu-Tang; Fu, Xiao-Ning","<i>catena</i>-Poly[[[diaquacopper(II)]-bis[μ-1,5-bis(1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] naphthalene-1,5-disulfonate]","Acta Crystallographica Section E","2012","68","12","m1505","","10.1107/S1600536812045679","","","0.71073","MoKα","","0.1426","0.0739","","","0.1374","0.1672","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236916","7.5541","0.0007","9.7249","0.0007","17.7352","0.0016","90","","97.392","0.007","90","","1292.05","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromido(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C11 H10 Br2 Co N2 -","- C11 H10 Br2 Co N2 -","- C44 H40 Br8 Co4 N8 -","4","1","HY2600","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali","Dibromido(6-methyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2012","68","12","m1460","","10.1107/S1600536812045230","","","0.71073","MoKα","","0.1418","0.085","","","0.1479","0.1635","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236917","10.1704","0.0004","12.4702","0.0005","17.3444","0.0007","90","","103.187","0.003","90","","2141.73","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium]","","- C48 H32 Br4 Cd2 N4 -","- C48 H32 Br4 Cd2 N4 -","- C96 H64 Br8 Cd4 N8 -","2","0.5","HY2601","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali","Di-μ-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium]","Acta Crystallographica Section E","2012","68","12","m1471","","10.1107/S1600536812045928","","","0.71073","MoKα","","0.0756","0.0522","","","0.1133","0.1293","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236918","7.6768","0.0007","10.7223","0.001","11.0663","0.001","92.067","0.007","102.85","0.007","101.879","0.007","865.86","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[di-μ~3~-bromido-hexa-μ~2~-bromido- dibromidobis(<i>O</i>-methyl pyridine-2-carboximidate-κ^2^<i>N</i>,<i>N</i>')pentamercury(II)]","","- C14 H16 Br10 Hg5 N4 O2 -","- C14 H16 Br10 Hg5 N4 O2 -","- C14 H16 Br10 Hg5 N4 O2 -","1","0.5","HY2602","Shirvan, Sadif A.; Hossaini Sadr, Moayad","<i>catena</i>-Poly[di-μ~3~-bromido-hexa-μ~2~-bromido-dibromidobis(<i>O</i>-methyl pyridine-2-carboximidate-κ^2^<i>N</i>,<i>N</i>')pentamercury(II)]","Acta Crystallographica Section E","2012","68","12","m1492","","10.1107/S1600536812046545","","","0.71073","MoKα","","0.108","0.0617","","","0.1329","0.1483","","","","","","0.932","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236919","38.6774","0.0005","38.6774","0.0005","12.3956","0.0002","90","","90","","120","","16058.8","0.4","180","0.1","180","0.1","","","","","","","","7","R 3 :H","R 3","146","","Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)terbium(III)","","- C57 H45 N3 O3 P3 S3 Tb -","- C57 H45 N3 O3 P3 S3 Tb -","- C684 H540 N36 O36 P36 S36 Tb12 -","12","1.33333","HY2605","Pham, Lam N.; Thames, Anthony T.; White, Frankie D.; Xiang, Kang Rui; Sykora, Richard E.","Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)terbium(III)","Acta Crystallographica Section E","2012","68","12","m1531","","10.1107/S1600536812047289","","","0.71073","MoKα","","0.0338","0.0258","","","0.0517","0.0556","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236920","8.9111","0.0003","7.2255","0.0003","10.6194","0.0004","90","","108.994","0.002","90","","646.52","0.04","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Diammine{<i>N</i>-[2-(hydroxyimino)propionyl]-<i>N</i>'-[2- (oxidoimino)propionyl]propane-1,3-diaminido- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III)","","- C9 H19 Fe N6 O4 -","- C9 H19 Fe N6 O4 -","- C18 H38 Fe2 N12 O8 -","2","0.5","HY2607","Tomyn, Stefania; Haukka, Matti; Nedelkov, Ruslan","Diammine{<i>N</i>-[2-(hydroxyimino)propionyl]-<i>N</i>'-[2-(oxidoimino)propionyl]propane-1,3-diaminido-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III)","Acta Crystallographica Section E","2012","68","12","m1568","m1569","10.1107/S160053681204826X","","","0.71073","MoKα","","0.039","0.0299","","","0.0708","0.0741","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236921","13.752","0.003","11.978","0.002","15.554","0.004","90","","101.043","0.017","90","","2514.6","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{bis[2-(diisopropylphosphanyl)phenyl]phosphanido- κ^3^<i>P</i>,<i>P</i>',<i>P</i>''}chloridonickel(II)","","- C24 H36 Cl Ni P3 -","- C24 H36 Cl Ni P3 -","- C96 H144 Cl4 Ni4 P12 -","4","1","IM2406","Tedesco, Consiglia; Lamberti, Marina; Mazzeo, Mina","Bis{bis[2-(diisopropylphosphanyl)phenyl]phosphanido-κ^3^<i>P</i>,<i>P</i>',<i>P</i>''}chloridonickel(II)","Acta Crystallographica Section E","2012","68","12","m1459","","10.1107/S1600536812044947","","","0.71073","MoKα","","0.061","0.0409","","","0.0985","0.1081","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236922","5.2809","0.0002","24.5131","0.001","18.3517","0.0007","90","","99.643","0.001","90","","2342.08","0.16","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1<i>H</i>-1,2,3-triazol-4-yl}methoxy)-8-(trifluoromethyl)quinoline-3-carboxylate","","- C24 H18 Br F3 N4 O4 -","- C24 H18 Br F3 N4 O4 -","- C96 H72 Br4 F12 N16 O16 -","4","1","IM2409","Islor, Arun M.; Garudachari, B.; Shivananda, K. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1<i>H</i>-1,2,3-triazol-4-yl}methoxy)-8-(trifluoromethyl)quinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","12","o3387","o3388","10.1107/S1600536812046417","","","0.71073","MoKα","","0.0866","0.0514","","","0.1198","0.1413","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236923","9.86","0.002","9.975","0.002","13.691","0.003","90","","94.023","0.003","90","","1343.2","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(trimethylphenylammonium) μ-oxalato-bis[oxidodiperoxidomolybdate(VI)]","","- C20 H28 Mo2 N2 O14 -","- C20 H28 Mo2 N2 O14 -","- C40 H56 Mo4 N4 O28 -","2","0.5","IM2410","Oba, Ayaka; Hashimoto, Masato","Bis(trimethylphenylammonium) μ-oxalato-bis[oxidodiperoxidomolybdate(VI)]","Acta Crystallographica Section E","2012","68","12","m1467","","10.1107/S1600536812045850","","","0.71069","MoKα","","0.0303","0.0286","","","0.0779","0.0795","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236924","9.2614","0.0005","12.8215","0.0008","14.3966","0.0011","90","","90","","90","","1709.52","0.19","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-10-bromomethyl-3,7,7- trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H23 Br3 -","- C16 H23 Br3 -","- C64 H92 Br12 -","4","1","IM2411","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Daran, Jean-Claude; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2012","68","12","o3394","o3395","10.1107/S1600536812046430","","","0.71073","MoKα","","0.0407","0.0337","","","0.0726","0.0751","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236925","14.1467","0.0008","14.3235","0.0009","15.2179","0.0009","70.653","0.003","78.776","0.003","71.573","0.003","2746.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","31-Benzyloxy-5,11,17,23,29-penta-<i>tert</i>-butylcalix[5]arene- 32,33,34,35-tetraol","","- C62 H76 O5 -","- C62 H76 O5 -","- C124 H152 O10 -","2","1","IS5208","Gargiulli, Claudia; Gattuso, Giuseppe; Notti, Anna; Nicoló, Francesco; Pappalardo, Andrea","31-Benzyloxy-5,11,17,23,29-penta-<i>tert</i>-butylcalix[5]arene-32,33,34,35-tetraol","Acta Crystallographica Section E","2012","68","12","o3423","","10.1107/S1600536812047435","","","0.71073","MoKα","","0.1117","0.0521","","","0.1396","0.1608","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236926","13.1813","0.0007","4.5837","0.0003","20.4448","0.0011","90","","92.441","0.003","90","","1234.14","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-[4-Chloro-2-(trifluoromethyl)phenyl]-3-fluoro-2-methylpyridine","","- C13 H8 Cl F4 N -","- C13 H8 Cl F4 N -","- C52 H32 Cl4 F16 N4 -","4","1","IS5209","Sreenivasa, S.; Manojkumar, K. E.; Suchetan, P. A.; Mohan, N. R.; Palakshamurthy, B. S.; Srinivasan, T.; Velmurgan, D.","6-[4-Chloro-2-(trifluoromethyl)phenyl]-3-fluoro-2-methylpyridine","Acta Crystallographica Section E","2012","68","12","o3370","","10.1107/S1600536812046211","","","0.71073","MoKα","","0.0641","0.0424","","","","0.1294","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236927","8.4308","0.0005","10.5025","0.0006","12.3059","0.0006","98.53","0.002","107.95","0.002","97.966","0.003","1005.26","0.1","296","","296","","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-cyano-5-oxo-5-(thiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)pentanoate","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C42 H46 N2 O12 S2 -","2","1","IS5211","Prabhuswamy, M.; Madan Kumar, S.; Raghavendra, K. R.; Abdoh, M. M. M.; Shashikanth, S.; Lokanath, N. K.","Ethyl 2-cyano-5-oxo-5-(thiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)pentanoate","Acta Crystallographica Section E","2012","68","12","o3275","","10.1107/S1600536812044522","","","0.71073","MoKα","","0.0377","0.0323","","","0.0763","0.0797","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236928","5.4199","0.0002","9.0785","0.0003","12.3555","0.0004","85.758","0.002","80.455","0.002","81.829","0.002","592.65","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(2-Hydroxypropan-2-yl)-6-(prop-2-ynyloxy)-1-benzofuran-3(2<i>H</i>)-one","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","IS5212","Kinfe, Henok H.; Belay, Yonas H.; Phasha, Zanele H.","2-(2-Hydroxypropan-2-yl)-6-(prop-2-ynyloxy)-1-benzofuran-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","12","o3379","","10.1107/S1600536812045606","","","1.54178","CuKα","","0.0335","0.0321","","","","0.0822","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236929","5.0094","0.0002","8.5459","0.0004","10.8736","0.0005","82.337","0.001","88.952","0.001","86.904","0.001","460.64","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","4-Chloro-6-methoxypyrimidin-2-amine‒succinic acid (2/1)","","- C14 H18 Cl2 N6 O6 -","- C14 H18 Cl2 N6 O6 -","- C14 H18 Cl2 N6 O6 -","1","0.5","IS5213","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","4-Chloro-6-methoxypyrimidin-2-amine‒succinic acid (2/1)","Acta Crystallographica Section E","2012","68","12","o3343","","10.1107/S1600536812046156","","","0.71073","MoKα","","0.0251","0.0241","","","0.0676","0.0692","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236930","3.7683","0.0002","16.4455","0.0002","10.7867","0.0002","90","","94.55","0.001","90","","666.36","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-6-methoxypyrimidin-2-amine","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C20 H24 Cl4 N12 O4 -","4","1","IS5214","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","4-Chloro-6-methoxypyrimidin-2-amine","Acta Crystallographica Section E","2012","68","12","o3318","","10.1107/S160053681204528X","","","0.71073","MoKα","","0.0286","0.0265","","","0.0689","0.0702","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236931","12.4338","0.0012","7.7462","0.0007","19.4626","0.0014","90","","128.806","0.004","90","","1460.8","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Diaminopyridinium 4-methoxyquinoline-2-carboxylate","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C64 H64 N16 O12 -","4","1","IS5215","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2,3-Diaminopyridinium 4-methoxyquinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","12","o3444","o3445","10.1107/S1600536812047642","","","0.71073","MoKα","","0.0622","0.0468","","","0.1195","0.1309","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236932","6.9923","0.0005","10.2887","0.0008","10.7578","0.0008","77.419","0.002","83.381","0.002","89.209","0.002","750.27","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine‒4-hydroxybenzoic acid (1/1)","","- C14 H16 N2 O5 S -","- C14 H16 N2 O5 S -","- C28 H32 N4 O10 S2 -","2","1","IS5216","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul; Balasubramani, Kasthuri","4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine‒4-hydroxybenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","12","o3415","o3416","10.1107/S1600536812046338","","","0.71073","MoKα","","0.0349","0.0318","","","0.0882","0.0934","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236933","8.267","0.003","11.271","0.004","12.788","0.004","76.53","0.05","78.95","0.05","81.42","0.05","1130.4","0.7","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","5-[(3,5-Dichloroanilino)methyl]-<i>N</i>-(3,5-dichlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine","","- C24 H18 Cl4 N4 -","- C24 H18 Cl4 N4 -","- C48 H36 Cl8 N8 -","2","1","IS5217","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","5-[(3,5-Dichloroanilino)methyl]-<i>N</i>-(3,5-dichlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section E","2012","68","12","o3412","","10.1107/S160053681204665X","","","0.71073","MoKα","","0.0807","0.0441","","","0.0934","0.0996","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236934","8.7817","0.0017","5.7032","0.0012","24.026","0.004","90","","95.493","0.004","90","","1197.8","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidine‒benzoic acid (1/1)","","- C11 H11 Cl N4 O2 -","- C11 H11 Cl N4 O2 -","- C44 H44 Cl4 N16 O8 -","4","1","IS5218","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2,6-Diamino-4-chloropyrimidine‒benzoic acid (1/1)","Acta Crystallographica Section E","2012","68","12","o3442","o3443","10.1107/S160053681204768X","","","0.71073","MoKα","","0.0395","0.0362","","","0.098","0.1009","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236935","6.6962","0.0005","4.9388","0.0004","13.3593","0.0012","90","","92.361","0.008","90","","441.43","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-Nitrophenyl)acetohydrazide","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C16 H18 N6 O6 -","2","1","IS5219","Praveen, A. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Narayana, B.","2-(2-Nitrophenyl)acetohydrazide","Acta Crystallographica Section E","2012","68","12","o3436","","10.1107/S1600536812047381","","","1.54184","CuKα","","0.041","0.0377","","","0.0916","0.0957","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236936","11.32","0.0003","7.4068","0.0003","20.7937","0.0008","90","","96.787","0.002","90","","1731.23","0.11","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[3-(4-Methylpiperidin-1-yl)propanamido]benzenesulfonamide monohydrate","","- C15 H25 N3 O4 S -","- C15 H25 N3 O4 S -","- C60 H100 N12 O16 S4 -","4","1","IS5222","Türkmen, Hasan; Yalçın, Şerife Pınar; Durgun, Mustafa; Akkurt, Mehmet","4-[3-(4-Methylpiperidin-1-yl)propanamido]benzenesulfonamide monohydrate","Acta Crystallographica Section E","2012","68","12","o3481","","10.1107/S1600536812048477","","","0.71073","MoKα","","0.1183","0.0728","","","0.1555","0.1777","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236937","14.3909","0.0013","5.667","0.0004","15.5471","0.0014","90","","109.023","0.002","90","","1198.67","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridine-1,1'-diium; bis(1,3-benzothiazole-2-thiolate)","","- C24 H18 N4 S4 -","- C24 H18 N4 S4 -","- C48 H36 N8 S8 -","2","0.5","JJ2151","Jiang, Yu-Han; Qiu, Qi-Ming; Liu, Min; Jin, Qiong-Hua; Zhang, Cun-Lin","4,4'-Bipyridine-1,1'-diium bis(1,3-benzothiazole-2-thiolate)","Acta Crystallographica Section E","2012","68","12","o3450","","10.1107/S1600536812047058","","","0.71073","MoKα","","0.1352","0.0597","","","0.1478","0.2028","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236938","7.5173","0.0003","8.1495","0.0003","34.166","0.0011","90","","90","","90","","2093.09","0.13","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","D-Nebiviololinium chloride hemihydrate","(<i>S</i>,<i>S</i>,<i>S</i>,<i>S</i>)-bis[2-(6-fluoro-3,4- dihydro-2<i>H</i>-1-benzopyran-2-yl)-2-hydroxyethyl]ammonium chloride hemihydrate","","- C22 H27 Cl F2 N O4.5 -","- C22 H27 Cl F2 N O4.5 -","- C88 H108 Cl4 F8 N4 O18 -","4","1","JJ2154","Rousselin, Yoann; Bruel, Amelie; Clavel, Alexandre","(<i>S</i>,<i>S</i>,<i>S</i>,<i>S</i>)-Nebivolol hydrochloride hemihydrate","Acta Crystallographica Section E","2012","68","12","o3352","","10.1107/S1600536812045813","","","0.71073","MoKα","","0.0865","0.0719","","","0.1286","0.137","","","","","","1.272","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236939","18.094","0.002","9.4557","0.0014","7.4187","0.001","90","","111.953","0.003","90","","1177.2","0.3","223","","223","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-diiodophenanthrene","","- C14 H8 I2 -","- C14 H8 I2 -","- C56 H32 I8 -","4","0.5","JJ2155","Yokota, Ruri; Kitamura, Chitoshi; Kawase, Takeshi","9,10-Diiodophenanthrene","Acta Crystallographica Section E","2012","68","12","o3323","","10.1107/S1600536812045758","","","0.71073","MoKα","","0.0467","0.0328","","","0.0664","0.083","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236940","14.09072","0.00013","15.048","0.00015","10.39178","0.00012","90","","90","","90","","2203.44","0.04","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3,6,6-Tetramethyl-9-(1-methyl-1<i>H</i>-indol-2-yl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C104 H120 N8 O8 -","4","1","JJ2157","Öztürk Yildirim, Sema; Butcher, Ray J.; El-Khouly, Ahmed; Safak, Cihat; Şimsek, Rahime","3,3,6,6-Tetramethyl-9-(1-methyl-1<i>H</i>-indol-2-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2012","68","12","o3365","o3366","10.1107/S1600536812045722","","","1.54178","CuKα","","0.0363","0.0361","","","0.0959","0.0963","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236941","11.816","0.003","7.228","0.002","13.017","0.004","90","","104.25","0.005","90","","1077.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3a<i>RS</i>,7a<i>SR</i>)-7a-Methoxy-2-oxo-2,3,3a,4,5,6,7,7a-octahydro- 1-benzofuran-4,4-dicarbonitrile","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","JJ2158","González, María; Martínez, Andrea; Rivadulla, Marcos L.; Covelo, Berta","(3a<i>RS</i>,7a<i>SR</i>)-7a-Methoxy-2-oxo-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","12","o3496","","10.1107/S1600536812048519","","","0.71073","MoKα","","0.0809","0.0477","","","0.1174","0.1426","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236942","5.0018","0.0017","10.984","0.004","14.407","0.006","74","0.012","89.952","0.012","89.877","0.011","760.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(E)-3-chloro-N'-hydroxybenzamidine","(<i>E</i>)-3-chloro-<i>N</i>'-hydroxybenzamidine","","- C7 H7 Cl N2 O -","- C7 H7 Cl N2 O -","- C28 H28 Cl4 N8 O4 -","4","2","JJ2159","Sreenivasa, S.; ManojKumar, K. E.; Suchetan, P. A.; Mohan, N. R; Palakshamurthy, B. S.","(<i>E</i>)-3-Chloro-<i>N</i>'-hydroxybenzene-1-carboximidamide","Acta Crystallographica Section E","2012","68","12","o3402","","10.1107/S1600536812046612","","","0.71073","MoKα","","0.0443","0.0367","","","0.1038","0.1089","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236943","6.9648","0.0002","11.3616","0.0003","14.7219","0.0004","95.983","0.001","92.601","0.001","105.676","0.001","1112.23","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-3-(4-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","","- C28 H19 Br F2 O2 -","- C28 H19 Br F2 O2 -","- C56 H38 Br2 F4 O4 -","2","1","KJ2214","Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","(2<i>E</i>)-3-(4-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3433","o3434","10.1107/S1600536812046831","","","0.71073","MoKα","","0.0561","0.0353","","","0.0818","0.0886","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236944","11.832","0.0006","7.2407","0.0004","13.3755","0.0009","90","","105.292","0.003","90","","1105.33","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Piperidine-1-carboxamidinium ethyl carbonate","","- C9 H19 N3 O3 -","- C9 H19 N3 O3 -","- C36 H76 N12 O12 -","4","1","KP2439","Tiritiris, Ioannis","Piperidine-1-carboxamidinium ethyl carbonate","Acta Crystallographica Section E","2012","68","12","o3310","","10.1107/S1600536812045497","","","0.71073","MoKα","","0.0647","0.0418","","","0.0939","0.1058","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236945","7.1444","0.0008","9.0428","0.0007","18.115","0.002","90","","93.156","0.01","90","","1168.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxybenzamidinium hydrogen oxalate monohydrate","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","KP2440","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium hydrogen oxalate monohydrate","Acta Crystallographica Section E","2012","68","12","o3350","o3351","10.1107/S1600536812046351","","","0.71069","MoKα","","0.0649","0.0474","","","0.1026","0.11","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236946","10.2163","0.0005","20.8874","0.0009","10.4616","0.0005","90","","109.505","0.002","90","","2104.31","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Morpholine-4-carboxamidinium ethyl carbonate","","- C8 H17 N3 O4 -","- C8 H17 N3 O4 -","- C64 H136 N24 O32 -","8","2","KP2441","Tiritiris, Ioannis","Morpholine-4-carboxamidinium ethyl carbonate","Acta Crystallographica Section E","2012","68","12","o3431","","10.1107/S1600536812046922","","","0.71073","MoKα","","0.1161","0.05","","","0.0941","0.1123","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236947","25.469","0.016","6.365","0.004","18.306","0.011","90","","91.815","0.012","90","","2966","3","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(Adamantan-1-yl)aminomethyl]-4-chlorophenol hemihydrate","","- C17 H23 Cl N O1.5 -","- C17 H23 Cl N O1.5 -","- C136 H184 Cl8 N8 O12 -","8","1","LD2073","Jin, Xu-Dong; Yin, Xue-Yue; Xu, Lu-Sha; Ge, Chun-Hua; Chang, Xiao-Hong","2-[(Adamantan-1-yl)aminomethyl]-4-chlorophenol hemihydrate","Acta Crystallographica Section E","2012","68","12","o3296","","10.1107/S1600536812045175","","","0.71073","MoKα","","0.0987","0.0686","","","0.1879","0.2162","","","","","","1.076","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236948","7.6493","0.0004","15.1553","0.0007","19.4802","0.0008","90","","90.392","0.001","90","","2258.24","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>RS</i>,5'<i>RS</i>)-3',4'-Bis(4-chlorophenyl)-3,4- dihydrospiro[acridine-2,5'(4'<i>H</i>)-[1,2]oxazol]-1(2<i>H</i>)-one","","- C27 H18 Cl2 N2 O2 -","- C27 H18 Cl2 N2 O2 -","- C108 H72 Cl8 N8 O8 -","4","1","LD2076","Narayanan, Ponmudisettu; Maheswari, Shanmugavel Uma; Sethusankar, Krishnan","(2<i>RS</i>,5'<i>RS</i>)-3',4'-Bis(4-chlorophenyl)-3,4-dihydrospiro[acridine-2,5'(4'<i>H</i>)-[1,2]oxazol]-1(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","12","o3289","","10.1107/S1600536812045084","","","0.71073","MoKα","","0.0769","0.0509","","","0.1284","0.1426","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236949","13.657","0.001","14.361","0.002","7.0829","0.0009","90","","100.75","0.01","90","","1364.8","0.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Amino-5-chlorophenyl)-2-bromobenzenesulfonamide","","- C12 H10 Br Cl N2 O2 S -","- C12 H10 Br Cl N2 O2 S -","- C48 H40 Br4 Cl4 N8 O8 S4 -","4","1","LD2080","Altamura, Maria; Fedi, Valentina; Nannicini, Rossano; Paoli, Paola; Rossi, Patrizia","<i>N</i>-(2-Amino-5-chlorophenyl)-2-bromobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3308","o3309","10.1107/S160053681204562X","","","0.71069","MoKα","","0.072","0.0379","","","0.0713","0.0818","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236950","8.0922","0.0002","8.1401","0.0002","11.4535","0.0003","92.074","0.002","94.74","0.001","111.141","0.001","699.5","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C32 H26 Br2 O4 S2 -","2","1","LD2082","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3292","","10.1107/S1600536812045205","","","0.71073","MoKα","","0.0337","0.0287","","","0.0707","0.0734","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236951","5.6293","0.0002","10.1826","0.0004","13.2402","0.0005","90","","92.75","0.001","90","","758.07","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-methoxybenzamide","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","LD2083","Wilbrand, Sabine; Neis, Christian; Hegetschweiler, Kaspar","3-Hydroxy-2-methoxybenzamide","Acta Crystallographica Section E","2012","68","12","o3494","","10.1107/S1600536812047769","","","0.71073","MoKα","","0.0346","0.0302","","","0.0793","0.0828","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236952","10.1894","0.0003","14.6889","0.0004","9.2026","0.0002","90","","111.719","0.001","90","","1279.58","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Methoxy-4-methyl-6-phenyltetrahydropyrimidine-2(1<i>H</i>)-thione","4-Methoxy-4-methyl-6-phenyl-1,3-diazinane-2-thione","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C48 H64 N8 O4 S4 -","4","1","LH5545","Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","4-Methoxy-4-methyl-6-phenyl-1,3-diazinane-2-thione","Acta Crystallographica Section E","2012","68","12","o3271","","10.1107/S1600536812044662","","","0.71073","MoKα","","0.0351","0.0315","","","0.0857","0.0893","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236953","5.6962","0.0002","21.053","0.0007","8.7901","0.0003","90","","95.559","0.003","90","","1049.17","0.06","122.9","0.2","122.9","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(2-Furoyl)-N'-(2-pyrimidyl)thiourea","3-[(Furan-2-yl)carbonyl]-1-(pyrimidin-2-yl)thiourea","","- C10 H8 N4 O2 S -","- C10 H8 N4 O2 S -","- C40 H32 N16 O8 S4 -","4","1","LH5548","Singh, Durga P.; Pratap, Seema; Gupta, Sushil K.; Butcher, Ray J.","3-[(Furan-2-yl)carbonyl]-1-(pyrimidin-2-yl)thiourea","Acta Crystallographica Section E","2012","68","12","o3300","o3301","10.1107/S1600536812044029","","","1.54178","CuKα","","0.0389","0.038","","","0.1065","0.1075","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236954","18.725","0.004","4.6256","0.001","11.319","0.002","90","","90","","90","","980.4","0.3","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Amino-5-methylpyridinium trifluoroacetate","","- C8 H9 F3 N2 O2 -","- C8 H9 F3 N2 O2 -","- C32 H36 F12 N8 O8 -","4","1","LH5549","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium trifluoroacetate","Acta Crystallographica Section E","2012","68","12","o3319","o3320","10.1107/S1600536812045291","","","0.71073","MoKα","","0.0601","0.046","","","0.1048","0.114","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236955","10.4684","0.0012","12.9898","0.0014","14.8354","0.0016","71.091","0.002","80.955","0.003","72.261","0.002","1813.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","(1-Acetylthiourea-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I)","","- C39 H36 Ag Br N2 O P2 S -","- C39 H36 Ag Br N2 O P2 S -","- C78 H72 Ag2 Br2 N4 O2 P4 S2 -","2","1","LH5550","Pakawatchai, Chaveng; Jantaramas, Piyapong; Mokhagul, Jedsada; Nimthong, Ruthairat","(1-Acetylthiourea-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I)","Acta Crystallographica Section E","2012","68","12","m1506","m1507","10.1107/S1600536812045199","","","0.71073","MoKα","","0.0693","0.0482","","","0.0913","0.0987","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236956","7.363","0.003","8.741","0.006","11.492","0.006","77.84","0.03","73.78","0.03","83.18","0.03","692.8","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","[(Triethylenetetramine)copper(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[bis(cyanido-κ<i>C</i>)copper(I)]","","- C9 H18 Cu2 N7 -","- C9 H18 Cu2 N7 -","- C18 H36 Cu4 N14 -","2","1","LH5552","Corfield, Peter W. R.; Grillo, Scott A.; Umstott, Nancy S.","[(Triethylenetetramine)copper(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[bis(cyanido-κ<i>C</i>)copper(I)]","Acta Crystallographica Section E","2012","68","12","m1532","m1533","10.1107/S1600536812047745","","","1.5418","CuKα","","0.0402","0.0386","","","0.1155","0.1201","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236957","8.5911","0.0018","23.376","0.0015","7.5816","0.0012","90","","114.775","0.003","90","","1382.4","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)carbonyl]-5-methylindolizine- 3-carbonitrile","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","LH5554","Gu, Wei-Jin; Xie, Wen-Li; Wang, Ting-Ting","1-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)carbonyl]-5-methylindolizine-3-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3399","","10.1107/S1600536812046727","","","0.71073","MoKα","","0.0682","0.0475","","","0.1235","0.1352","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236958","30.179","0.003","3.9127","0.0003","13.7363","0.0012","90","","90","","90","","1622","0.2","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","LH5555","Lee, Ha-Jin; Lim, Yoongho; Koh, Dongsoo","(<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3403","","10.1107/S1600536812046715","","","0.71073","MoKα","","0.1055","0.0439","","","0.0723","0.1021","","","","","","0.936","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236959","29.854","0.004","5.3535","0.0007","17.353","0.002","90","","118.686","0.002","90","","2433","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aquabis[<i>N</i>-(pyridin-3-yl)isonicotinamide- κ<i>N</i>^1^]copper(II)]-μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C26 H22 Cu N6 O7 -","- C26 H22 Cu N6 O7 -","- C104 H88 Cu4 N24 O28 -","4","0.5","LH5556","Qiblawi, Sultan H.; LaDuca, Robert L.","<i>catena</i>-Poly[[aquabis[<i>N</i>-(pyridin-3-yl)isonicotinamide-κ<i>N</i>^1^]copper(II)]-μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section E","2012","68","12","m1514","","10.1107/S1600536812047101","","","0.71073","MoKα","","0.0515","0.0362","","","0.0762","0.083","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236960","9.1574","0.0008","10.1976","0.0006","12.1736","0.0008","91.847","0.005","108.327","0.008","100.285","0.006","1057.05","0.14","292.5","0.4","292.5","0.4","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-Chlorophenyl)-1-(4-chlorophenyl)formamido 3-(2-nitrophenyl)propanoate","","- C22 H16 Cl2 N2 O5 -","- C22 H16 Cl2 N2 O5 -","- C44 H32 Cl4 N4 O10 -","2","1","LH5558","Fan, Lin-Lan; Wang, Hui; Ma, Jing; Shi, Xiu-Xiao","<i>N</i>-(2-Chlorophenyl)-1-(4-chlorophenyl)formamido 3-(2-nitrophenyl)propanoate","Acta Crystallographica Section E","2012","68","12","o3498","","10.1107/S1600536812048726","","","0.7107","MoKα","","0.0762","0.0545","","","","0.1394","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236961","6.894","0.0006","13.2079","0.0011","20.0964","0.0016","90","","90","","90","","1829.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8-Methoxy-2<i>H</i>-chromene-3-carbaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","LH5559","Koh, Dongsoo","8-Methoxy-2<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2012","68","12","o3419","","10.1107/S1600536812047319","","","0.71073","MoKα","","0.0994","0.051","","","0.1208","0.1578","","","","","","0.922","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236962","9.197","0.003","14.564","0.005","18.675","0.005","90","","107.061","0.014","90","","2391.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(naphthalen-1-yl)phosphane chloroform hemisolvate","","- C30.5 H21.5 Cl1.5 P -","- C30.5 H21.5 Cl1.5 P -","- C122 H86 Cl6 P4 -","4","1","LH5561","Davis, Wade L.; Muller, Alfred","Tris(naphthalen-1-yl)phosphane chloroform hemisolvate","Acta Crystallographica Section E","2012","68","12","o3484","","10.1107/S1600536812048234","","","0.71073","MoKα","","0.1157","0.0664","","","0.1617","0.1935","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236963","7.5818","0.0003","8.3714","0.0002","21.0625","0.001","90","","90","","90","","1336.84","0.09","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,6-trinitrophenyl benzoate","2,4,6-Trinitrophenyl benzoate","","- C13 H7 N3 O8 -","- C13 H7 N3 O8 -","- C52 H28 N12 O32 -","4","1","LH5562","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Kennedy, Alan R.; Morrison, Catriona A.; De Almeida Santos, Regina H.","2,4,6-Trinitrophenyl benzoate","Acta Crystallographica Section E","2012","68","12","o3493","","10.1107/S1600536812048362","","","0.71073","MoKα","","0.0356","0.0318","","","0.0714","0.0731","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236964","11.8797","0.0003","6.0788","0.0001","23.871","0.0005","90","","101.489","0.001","90","","1689.29","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(5,6-Diphenyl-1,2,4-triazin-3-yl)aniline","","- C21 H16 N4 -","- C21 H16 N4 -","- C84 H64 N16 -","4","1","LR2082","Mojzych, Mariusz; Karczmarzyk, Zbigniew; Fruziński, Andrzej","2-(5,6-Diphenyl-1,2,4-triazin-3-yl)aniline","Acta Crystallographica Section E","2012","68","12","o3278","","10.1107/S1600536812044194","","","1.54178","CuKα","","0.0414","0.0352","","","0.0976","0.103","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236965","19.5601","0.0007","25.0825","0.0008","24.2277","0.0009","90","","113.695","0.005","90","","10884.4","0.8","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]- 1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate","","- C36 H69 Cl6 N8 O26.5 -","- C36 H68 Cl6 N8 O26.5 -","- C288 H544 Cl48 N64 O212 -","8","1","LR2084","Fusi, Vieri; Formica, Mauro; Macedi, Eleonora; Paoli, Paola; Rossi, Patrizia","2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate","Acta Crystallographica Section E","2012","68","12","o3453","o3454","10.1107/S1600536812047484","","","1.54184","CuKα","","0.1144","0.0702","","","0.1814","0.2194","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236966","7.131","0.0002","9.6301","0.0002","7.2162","0.0002","90","","113.782","0.003","90","","453.47","0.02","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[diamminedi-μ~3~-dicyanamido-copper(II)]","","- C4 H6 Cu N8 -","- C4 H6 Cu N8 -","- C8 H12 Cu2 N16 -","2","0.5","LR2087","Díaz, Jesús García; Albor, Atzimba García; Jaime, Espino Valencia; Vrábel, Viktor; Kožíšek, Jozef","Poly[diamminedi-μ~3~-dicyanamido-copper(II)]","Acta Crystallographica Section E","2012","68","12","i89","i90","10.1107/S1600536812045382","","","0.71073","MoKα","","0.0194","0.017","","","0.0493","0.0521","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236967","5.8831","0.0002","10.556","0.0002","35.0548","0.0008","90","","93.749","0.001","90","","2172.31","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(<i>E</i>)-Methoxy(phenyl)methylidene]-1,3,4-triphenyl-4,5-dihydro- 1<i>H</i>-1,2,4-triazole","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C112 H92 N12 O4 -","4","1","LX2259","Maji, Biplab; Berionni, Guillaume; Mayr, Herbert; Mayer, Peter","5-[(<i>E</i>)-Methoxy(phenyl)methylidene]-1,3,4-triphenyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2012","68","12","o3307","","10.1107/S1600536812045692","","","0.71073","MoKα","","0.0816","0.0449","","","0.0997","0.1162","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236968","3.8451","0.0001","20.8901","0.0004","12.2725","0.0002","90","","94.952","0.001","90","","982.1","0.04","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(Pyridin-2-ylmethylidene)amino]thiophene-3-carbonitrile","","- C11 H7 N3 S -","- C11 H7 N3 S -","- C44 H28 N12 S4 -","4","1","LX2267","Bolduc, Andréanne; Knipping, Étienne; Skene, W. G.","2-[(<i>E</i>)-(Pyridin-2-ylmethylidene)amino]thiophene-3-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3262","","10.1107/S1600536812043188","","","1.54178","CuKα","","0.0373","0.0354","","","0.1005","0.102","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236969","10.12","0.002","10.4","0.003","11.726","0.003","79.138","0.004","67.021","0.004","88.154","0.004","1114.7","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2-Methyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C13 H14 N2 -","- C13 H14 N2 -","- C52 H56 N8 -","4","2","LX2269","Su, Bi-yun; Qin, Wen-Long; Jiao, Long; Wang, Jia-Xiang","2-Methyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section E","2012","68","12","o3326","","10.1107/S1600536812045849","","","0.71073","MoKα","","0.0842","0.0506","","","0.1294","0.1486","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236970","7.3504","0.0002","12.8524","0.0005","16.0372","0.0005","90","","90","","90","","1515.04","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Morphine hydrochloride anhydrate","(5α,6α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol hydrochloride","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","LX2271","Gelbrich, Thomas; Braun, Doris E.; Griesser, Ulrich J.","Morphine hydrochloride anhydrate","Acta Crystallographica Section E","2012","68","12","o3358","o3359","10.1107/S1600536812046405","","","0.7107","MoKα","","0.0298","0.0273","","","0.0674","0.0687","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236971","6.0893","0.0002","30.7616","0.0008","11.0983","0.0003","90","","98.982","0.003","90","","2053.4","0.1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,1'-Bis[(di(4-<i>tert</i>-butylphenyl)methyl)cyclopentadienyl]iron","1,1'-Bis[bis(4-<i>tert</i>-butylphenyl)methyl]ferrocene","","- C52 H62 Fe -","- C52 H62 Fe -","- C104 H124 Fe2 -","2","0.5","MW2088","Bauer, Heiko; Sun, Yu; Sitzmann, Helmut","1,1'-Bis[bis(4-<i>tert</i>-butylphenyl)methyl]ferrocene","Acta Crystallographica Section E","2012","68","12","m1450","","10.1107/S1600536812041360","","","1.54184","CuKα","","0.0328","0.0273","","","0.0696","0.0705","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236972","8.8516","0.0002","21.8221","0.0004","7.7228","0.0002","90","","102.949","0.001","90","","1453.8","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","12-Ethylsulfinyl-11-(3-fluorophenyl)-4,6,10- trioxatricyclo[7.3.0.0^3,7^]dodeca-1,3(7),8,11-tetraene","3-Ethylsulfinyl-2-(3-fluorophenyl)-5,6-methylenedioxy-1-benzofuran","","- C17 H13 F O4 S -","- C17 H13 F O4 S -","- C68 H52 F4 O16 S4 -","4","1","MW2094","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-Ethylsulfinyl-2-(3-fluorophenyl)-5,6-methylenedioxy-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3339","","10.1107/S1600536812044832","","","0.71073","MoKα","","0.0434","0.0378","","","0.097","0.1011","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236973","19.5845","0.0005","19.5845","0.0005","6.6307","0.0002","90","","90","","120","","2202.5","0.1","180","2","180","2","","","","","","","","4","P 63","P 6c","173","","(<i>S</i>)-(-)-1-Phenylethanaminium hexanoate","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C84 H138 N6 O12 -","6","1","MW2095","Wood, Mary H.; Clarke, Stuart M.","(<i>S</i>)-({-})-1-Phenylethanaminium hexanoate","Acta Crystallographica Section E","2012","68","12","o3335","","10.1107/S1600536812045746","","","0.71073","MoKα","","0.0509","0.0396","","","0.0826","0.0867","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236974","18.147","0.004","13.051","0.003","13.259","0.003","90","","122.43","0.03","90","","2650.5","1.4","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>, <i>O</i>')nickel(II) butane-2,3-diol monosolvate","","- C28 H26 N4 Ni O6 S -","- C28 H26 N4 Ni O6 S -","- C112 H104 N16 Ni4 O24 S4 -","4","0.5","MW2096","Zhong, Kai-Long; Ni, Chao","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')nickel(II) butane-2,3-diol monosolvate","Acta Crystallographica Section E","2012","68","12","m1519","","10.1107/S1600536812047241","","","0.71073","MoKα","","0.0601","0.0465","","","0.1013","0.1081","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236975","9.1977","0.0002","21.6887","0.0004","11.6072","0.0002","90","","124.629","0.001","90","","1905.29","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-[4-(Benzyloxy)phenyl]-1-(2,6-dichloro-3-fluorophenyl)prop-2-en-1-one","","- C22 H15 Cl2 F O2 -","- C22 H15 Cl2 F O2 -","- C88 H60 Cl8 F4 O8 -","4","1","NC2298","Praveen, Aletti S.; Yathirajan, Hemmige S.; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","(2<i>E</i>)-3-[4-(Benzyloxy)phenyl]-1-(2,6-dichloro-3-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3386","","10.1107/S1600536812046855","","","0.71073","MoKα","","0.0555","0.0406","","","0.0946","0.1013","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236976","12.8289","0.0004","14.3247","0.0004","14.4213","0.0004","90","","111.347","0.001","90","","2468.38","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Uyi C20","4-{[2-(2,4-Dinitrophenyl)hydrazinylidene](phenyl)methyl}-5-methyl-2- phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one ethanol monosolvate","","- C25 H24 N6 O6 -","- C25 H24 N6 O6 -","- C100 H96 N24 O24 -","4","1","NG5294","Idemudia, Omoruyi G.; Sadimenko, Alexander P.; Hosten, Eric C.","4-{[2-(2,4-Dinitrophenyl)hydrazinylidene](phenyl)methyl}-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one ethanol monosolvate","Acta Crystallographica Section E","2012","68","12","o3380","","10.1107/S1600536812044935","","","0.71073","MoKα","","0.0506","0.0417","","","0.1077","0.1161","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236977","11.4175","0.0003","19.5363","0.0004","22.6086","0.0006","90","","102.683","0.002","90","","4919.9","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Di-μ-azido-bis(μ-1,4,7,10,13,16-hexaoxacyclooctadecane)bis(5,10,15,20- tetraphenylporphyrinato)dicadmiumdisodium","[(5,10,15,20-Retraphenylporphyrinato)cadmium]-μ-azido-sodium-bis(μ- 1,4,7,10,13,16-hexaoxacyclooctadecane)-sodium-μ-azido-[(5,10,15,20- tetraphenylporphyrinato)cadmium]","","- C112 H104 Cd2 N14 Na2 O12 -","- C112 H104 Cd2 N14 Na2 O12 -","- C224 H208 Cd4 N28 Na4 O24 -","2","0.5","NG5303","Toumi, Hamza; Amiri, Nesrine; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","Di-μ-azido-bis(μ-1,4,7,10,13,16-hexaoxacyclooctadecane)bis(5,10,15,20-tetraphenylporphyrinato)dicadmiumdisodium","Acta Crystallographica Section E","2012","68","12","m1557","m1558","10.1107/S1600536812048052","","","0.71073","MoKα","","0.0426","0.0274","","","0.0672","0.071","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236978","4.7977","0.0003","10.9951","0.0007","14.1645","0.0008","74.829","0.005","87.758","0.005","79.327","0.005","708.64","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate","","- C16 H13 Br O3 -","- C16 H13 Br O3 -","- C32 H26 Br2 O6 -","2","1","NG5304","Khan, Imtiaz; Ibrar, Aliya; Korzański, Artur; Kubicki, Maciej","2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate","Acta Crystallographica Section E","2012","68","12","o3465","","10.1107/S1600536812046995","","","0.71073","MoKα","","0.061","0.0378","","","0.0962","0.1063","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236979","9.5585","0.0012","13.4135","0.0017","14.7553","0.0018","66.307","0.002","73.147","0.003","88.034","0.003","1650.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis(benzyldiphenylphosphane-κ<i>P</i>)dichloridoplatinum(II)","","- C38 H34 Cl2 P2 Pt -","- C38 H34 Cl2 P2 Pt -","- C76 H68 Cl4 P4 Pt2 -","2","1","NG5305","Muller, Alfred","<i>trans</i>-Bis(benzyldiphenylphosphane-κ<i>P</i>)dichloridoplatinum(II)","Acta Crystallographica Section E","2012","68","12","m1512","","10.1107/S160053681204696X","","","0.71073","MoKα","","0.0198","0.0175","","","","0.0388","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236980","15.4261","0.0016","6.2618","0.0007","9.2073","0.001","90","","106.651","0.012","90","","852.09","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methylphenyl)acetohydrazide","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","NG5307","Praveen, A.S.; Jasinski, Jerry P.; Krauss, Shannon T.; Yathirajan, H. S.; Narayana, B.","2-(4-Methylphenyl)acetohydrazide","Acta Crystallographica Section E","2012","68","12","o3467","","10.1107/S160053681204799X","","","1.54184","CuKα","","0.0601","0.0497","","","0.1414","0.1513","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236981","8.2107","0.0009","8.5812","0.0009","13.2046","0.0014","90","","90","","90","","930.37","0.17","200","","200","","","","","","","","","6","I m 2 a","I -2a -2a","46","dichloro-3-pyridylarsine hydrochloride hydrate","<i>catena</i>-Poly[[[dichlorido(pyridin-1-ium-3-yl)arsenic(III)]-μ-chlorido] monohydrate]","","- C5 H7 As Cl3 N O -","- C5 H7 As Cl3 N O -","- C20 H28 As4 Cl12 N4 O4 -","4","0.5","NK2180","Reck, Lukas; Schmitt, Wolfgang","<i>catena</i>-Poly[[[dichlorido(pyridin-1-ium-3-yl)arsenic(III)]-μ-chlorido] monohydrate]","Acta Crystallographica Section E","2012","68","12","m1437","m1438","10.1107/S1600536812042882","","","0.71073","MoKα","","0.0321","0.0318","","","0.0775","0.0777","","","","","","1.1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236982","8.108","0.0012","9.0857","0.0014","12.9188","0.0019","90","","94.426","0.002","90","","948.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5,12-Dimethylpyrazino[1,2-<i>a</i>:4,5-<i>a</i>']dibenzimidazole-5,12-diium dichloride dihydrate","10,20-Dimethyl-3,10,13,20- tetraazapentacyclo[11.7.0.0^3,11^.0^4,9^.0^14,19^]icosa- 1(20),4(9),5,7,10,14,16,18-octaene-10,20-diium","","- C18 H22 Cl2 N4 O2 -","- C18 H22 Cl2 N4 O2 -","- C36 H44 Cl4 N8 O4 -","2","0.5","PK2446","Han, Jie; Zhao, Ming-gao; Zhang, Jun; Ma, Lan; Fan, Guang","5,12-Dimethylpyrazino[1,2-<i>a</i>:4,5-<i>a</i>']dibenzimidazole-5,12-diium dichloride dihydrate","Acta Crystallographica Section E","2012","68","12","o3398","","10.1107/S1600536812046594","","","0.71073","MoKα","","0.0457","0.0377","","","0.1063","0.1136","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236983","9.9761","0.0012","13.8292","0.0012","11.7983","0.0014","90","","113.523","0.014","90","","1492.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[sodium-μ~2~-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylethane-1,2-diamine)-κ^2^<i>N</i>:<i>N</i>'-sodium- bis[μ~2~-bis(trimethylsilyl)azanido-κ^2^<i>N</i>:<i>N</i>]]","","- C18 H52 N4 Na2 Si4 -","- C18 H52 N4 Na2 Si4 -","- C36 H104 N8 Na4 Si8 -","2","0.5","PK2451","Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T.; Robertson, Stuart D.; Robertson, Gemma M.","<i>catena</i>-Poly[sodium-μ~2~-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)-κ^2^<i>N</i>:<i>N</i>'-sodium-bis[μ~2~-bis(trimethylsilyl)azanido-κ^2^<i>N</i>:<i>N</i>]]","Acta Crystallographica Section E","2012","68","12","m1468","","10.1107/S1600536812045126","","","0.71073","MoKα","","0.0265","0.0227","","","0.0663","0.0674","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236984","4.363","0.0016","8.3245","0.0007","13.541","0.005","95.647","0.002","98.46","0.02","97.77","0.002","478.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-Allyl-6-nitro-1<i>H</i>-indazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C20 H18 N6 O4 -","2","1","PK2452","El Brahmi, Nabil; Benchidmi, Mohammed; Essassi, El Mokhtar; Ladeira, Sonia; El Ammari, Lahcen","1-Allyl-6-nitro-1<i>H</i>-indazole","Acta Crystallographica Section E","2012","68","12","o3368","","10.1107/S1600536812046478","","","0.71073","MoKα","","0.0449","0.0343","","","0.0955","0.0997","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236985","14.0679","0.0002","7.7245","0.0001","26.9686","0.0003","90","","92.596","0.001","90","","2927.6","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-[(<i>E</i>)-2-methylbenzylidene]-8-(2-methylphenyl)-9-phenyl- 3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa- 1(20),12,14,16,18-pentaen-6-one","","- C40 H34 N2 O2 -","- C40 H34 N2 O2 -","- C160 H136 N8 O8 -","4","1","PK2453","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Osman, Hasnah; Suresh, J.","2-Hydroxy-5-[(<i>E</i>)-2-methylbenzylidene]-8-(2-methylphenyl)-9-phenyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(20),12,14,16,18-pentaen-6-one","Acta Crystallographica Section E","2012","68","12","o3375","","10.1107/S160053681204648X","","","0.71073","MoKα","","0.0774","0.0535","","","0.1228","0.1367","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236986","12.3079","0.0002","12.715","0.0002","14.031","0.0003","77.785","0.001","64.242","0.001","64.738","0.001","1787.56","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Dicyclohexylbis(naphthalen-1-ylmethyl)phosphonium chloride chloroform disolvate","","- C36 H42 Cl7 P -","- C36 H42 Cl7 P -","- C72 H84 Cl14 P2 -","2","1","PK2454","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","Dicyclohexylbis(naphthalen-1-ylmethyl)phosphonium chloride chloroform disolvate","Acta Crystallographica Section E","2012","68","12","o3373","","10.1107/S1600536812046661","","","0.71073","MoKα","","0.0382","0.0301","","","0.0757","0.0804","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236987","18.528","0.0004","7.83885","0.00015","20.2304","0.0004","90","","103.642","0.001","90","","2855.33","0.1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","{2,7-Dimethoxy-8-[4-(2-methylpropyl)benzoyl]naphthalen-1-yl}[4-(2- methylpropyl)phenyl]methanone","","- C34 H36 O4 -","- C34 H36 O4 -","- C136 H144 O16 -","4","1","PK2455","Sasagawa, Kosuke; Hijikata, Daichi; Sakamoto, Rei; Okamoto, Akiko; Yonezawa, Noriyuki","{2,7-Dimethoxy-8-[4-(2-methylpropyl)benzoyl]naphthalen-1-yl}[4-(2-methylpropyl)phenyl]methanone","Acta Crystallographica Section E","2012","68","12","o3348","","10.1107/S1600536812045953","","","1.54187","CuKα","","0.0533","0.0424","","","0.1173","0.1261","","","","","","1.122","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236988","13.2053","0.0012","24.621","0.002","21.491","0.002","90","","101.861","0.001","90","","6838.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidato)di-μ~2~-formato- methanolpentakis(1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒ methanol‒water (1/3.36/0.65)","","- C56.36 H60.76 Mn6 N15 O24.02 -","- C56.364 H60.766 Mn6 N15 O24.019 -","- C225.456 H243.064 Mn24 N60 O96.076 -","4","1","PK2457","Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M.","Pentakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidato)di-μ~2~-formato-pentakis(1<i>H</i>-imidazole)methanolpentamanganese(III)manganese(II)‒methanol‒water (1/3.36/0.65)","Acta Crystallographica Section E","2012","68","12","m1521","m1522","10.1107/S1600536812047228","","","0.71073","MoKα","","0.0645","0.0493","","","0.132","0.1397","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236989","14.1479","0.0017","8.6567","0.0011","22.57","0.003","90","","90","","90","","2764.2","0.6","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-2,3-Dihydroxybenzylidene]-2-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","PV2594","Taha, Muhammad; Baharudin, M. Syukri.; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","<i>N</i>'-[(<i>E</i>)-2,3-Dihydroxybenzylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3256","","10.1107/S1600536812042390","","","0.71073","MoKα","","0.0761","0.0424","","","0.0973","0.1147","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236990","10.2874","0.0016","14.138","0.003","18.866","0.003","90","","90","","90","","2743.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-Hydroxy-9-[1-(4-methylphenyl)-4-oxo-3-phenylazetidin-2-yl]-18-oxo-10-oxa- 2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12,14,16-triene-8- carbonitrile","","- C33 H29 N3 O5 -","- C33 H29 N3 O5 -","- C132 H116 N12 O20 -","4","1","PV2596","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","11-Hydroxy-9-[1-(4-methylphenyl)-4-oxo-3-phenylazetidin-2-yl]-18-oxo-10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12,14,16-triene-8-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3290","o3291","10.1107/S1600536812044479","","","0.71073","MoKα","","0.0753","0.0445","","","0.1028","0.1227","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236991","26.991","0.007","26.991","0.007","7.8345","0.0019","90","","90","","90","","5708","3","111","2","111","2","","","","","","","","6","I 41/a :2","-I 4ad","88","N-Tosyl-5-chloroindole","5-Chloro-1-(4-methylphenylsulfonyl)-1<i>H</i>-indole","","- C15 H12 Cl N O2 S -","- C15 H12 Cl N O2 S -","- C240 H192 Cl16 N16 O32 S16 -","16","1","PV2597","Hassam, Mohammad; Smith, Vincent J.","5-Chloro-1-(4-methylphenylsulfonyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","12","o3357","","10.1107/S1600536812046466","","","0.71073","MoKα","","0.0559","0.0386","","","0.0919","0.1007","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236992","6.2019","0.0003","11.2124","0.0006","24.4724","0.0013","95.759","0.003","91.762","0.003","95.617","0.003","1683.63","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-(4-Methoxyphenyl)naphtho[2,3-<i>b</i>][1]benzothiophene","","- C23 H16 O S -","- C23 H16 O S -","- C92 H64 O4 S4 -","4","2","PV2598","Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.","6-(4-Methoxyphenyl)naphtho[2,3-<i>b</i>][1]benzothiophene","Acta Crystallographica Section E","2012","68","12","o3408","o3409","10.1107/S1600536812047137","","","0.71073","MoKα","","0.0694","0.0458","","","0.124","0.1396","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236993","13.5539","0.0005","15.0626","0.0005","7.613","0.0002","90","","99.219","0.002","90","","1534.17","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-(4-Methoxyphenyl)anthracene","9-(4-Methoxyphenyl)anthracene","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","1","PV2599","Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.","9-(4-Methoxyphenyl)anthracene","Acta Crystallographica Section E","2012","68","12","o3410","","10.1107/S1600536812047149","","","0.71073","MoKα","","0.0838","0.0451","","","0.11","0.1297","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236994","9.4223","0.0003","10.5115","0.0003","14.1754","0.0005","70.235","0.002","87.309","0.003","69.065","0.002","1229.67","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4'-Methyl-1<i>H</i>-14',19'-dioxa-4'-azaspiro[indole-3,5'- tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'- hexaene-2,7'(3<i>H</i>)-dione","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C58 H56 N4 O8 -","2","1","PV2600","Narayanan, Sibi; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan","4'-Methyl-1<i>H</i>-14',19'-dioxa-4'-azaspiro[indole-3,5'-tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'-hexaene-2,7'(3<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","12","o3344","","10.1107/S1600536812046132","","","0.71073","MoKα","","0.0723","0.0485","","","0.1282","0.1471","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236995","15.8127","0.0012","20.6405","0.0016","18.5036","0.0014","90","","114.369","0.001","90","","5501.2","0.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-bis{μ- 6,6'-dimethoxy-2,2'-[cyclohexane-1,2-diylbis(methanylylidene)]diphenolato- 1:2κ^6^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^:<i>O</i>^6^,^<i>O</i>6'^; 2:3κ^6^<i>O</i>^6^,<i>O</i>^6'^:<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^- 2-gadolinium(III)-1,3-dizinc hexafluoridophosphate methanol monosolvate monohydrate","","- C49 H60 F6 Gd N4 O14 P Zn2 -","- C49 H60 F6 Gd N4 O14 P Zn2 -","- C196 H240 F24 Gd4 N16 O56 P4 Zn8 -","4","1","PV2601","Tian, Yong-Mei; Li, Hong-Feng; Han, Bing-Lu; Zhang, Qian; Sun, Wen-Bin","A salen-type trinuclear Zn~2~Gd complex","Acta Crystallographica Section E","2012","68","12","m1500","m1501","10.1107/S160053681204634X","","","0.71073","MoKα","","0.133","0.0534","","","0.125","0.157","","","","","","0.983","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236996","11.248","0.002","16.609","0.003","14.037","0.003","90","","92.965","0.006","90","","2618.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-Methyl-14',19'-dioxa-4'-azaspiro[acenaphthylene-1,5'- tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'- hexaene-2,7'(1<i>H</i>)-dione","","- C33 H29 N O4 -","- C33 H29 N O4 -","- C132 H116 N4 O16 -","4","1","PV2602","Narayanan, Sibi; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan","4'-Methyl-14',19'-dioxa-4'-azaspiro[acenaphthylene-1,5'-tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'-hexaene-2,7'(1<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","12","o3345","","10.1107/S1600536812046144","","","0.71073","MoKα","","0.0781","0.0448","","","0.1082","0.1278","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236997","9.4418","0.0003","10.0132","0.0003","12.8861","0.0004","67.465","0.002","88.237","0.002","62.842","0.001","985.68","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (3<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxodispiro[indoline- 3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C44 H42 N6 O8 -","2","1","PV2603","Ganesh, G.; Yuvaraj, Panneer Selvam; Divakara, Chinthalapuri; Reddy, Boreddy S. R.; SubbiahPandi, A.","A triclinic polymorph of methyl (3<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2012","68","12","o3468","o3469","10.1107/S160053681204706X","","","0.71073","MoKα","","0.0762","0.0509","","","0.1418","0.1577","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236998","9.6545","0.0011","20.363","0.002","31.804","0.003","90","","90","","90","","6252.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 12-hydroxy-10-[1-(4-methoxyphenyl)-2-oxo-3-phenoxyazetidin-4-yl]- 11-oxa-3-azahexacyclo[11.7.1.0^2,9^.0^2,12^.0^3,7^.0^17,21^]henicosa- 1(20),13,15,17(21),18-pentaene-9-carboxylate","","- C37 H34 N2 O7 -","- C37 H34 N2 O7 -","- C296 H272 N16 O56 -","8","1","PV2604","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","Methyl 12-hydroxy-10-[1-(4-methoxyphenyl)-2-oxo-3-phenoxyazetidin-4-yl]-11-oxa-3-azahexacyclo[11.7.1.0^2,9^.0^2,12^.0^3,7^.0^17,21^]henicosa-1(20),13,15,17(21),18-pentaene-9-carboxylate","Acta Crystallographica Section E","2012","68","12","o3329","o3330","10.1107/S1600536812045795","","","0.71073","MoKα","","0.0971","0.0468","","","0.1038","0.1265","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236999","18.0381","0.0007","5.5673","0.0002","17.491","0.0007","90","","91.606","0.003","90","","1755.82","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Morpholine‒4-nitrophenol (1/2)","","- C16 H19 N3 O7 -","- C16 H19 N3 O7 -","- C64 H76 N12 O28 -","4","1","PV2605","Muralidharan, Srinivasan; Vidyalakshmi, Yechuri; Srinivasan, Thothadri; Gopalakrishnan, Rengasamy; Velmurugan, Devadasan","Morpholine‒4-nitrophenol (1/2)","Acta Crystallographica Section E","2012","68","12","o3411","","10.1107/S1600536812047174","","","0.71073","MoKα","","0.0746","0.0515","","","0.1346","0.1511","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237000","14.815","0.0015","4.5707","0.0004","14.9123","0.0014","90","","96.642","0.001","90","","1003.01","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2-(4-Chlorophenyl)-1,3-selenazol-4-yl]methanol","","- C10 H8 Cl N O Se -","- C10 H8 Cl N O Se -","- C40 H32 Cl4 N4 O4 Se4 -","4","1","QK2047","Cui, Jichun; Li, Chuan; Qiao, Yanling","[2-(4-Chlorophenyl)-1,3-selenazol-4-yl]methanol","Acta Crystallographica Section E","2012","68","12","o3458","","10.1107/S1600536812048088","","","0.71073","MoKα","","0.0587","0.041","","","0.0954","0.104","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237001","11.2116","0.0013","10.5256","0.0012","18.171","0.007","90","","106.185","0.002","90","","2059.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{6,6'-Dimethoxy-2,2'-[cyclohexane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","","- C22 H26 Cu N2 O5 -","- C22 H26 Cu N2 O5 -","- C88 H104 Cu4 N8 O20 -","4","1","QM2087","Hu, Chunmei; Zhao, Shunsheng; Lü, Xingqiang; Lu, Rong","{6,6'-Dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","Acta Crystallographica Section E","2012","68","12","m1458","","10.1107/S1600536812044625","","","0.71073","MoKα","","0.0685","0.0496","","","0.0972","0.1052","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237002","7.7053","0.0015","11.432","0.002","11.916","0.002","90","","92.16","0.03","90","","1048.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[hexaaquabis(μ~3~-pyrimidine-4,6-dicarboxylato)dicalcium] dihydrate]","","- C6 H10 Ca N2 O8 -","- C6 H10 Ca N2 O8 -","- C24 H40 Ca4 N8 O32 -","4","1","QM2088","Starosta, Wojciech; Leciejewicz, Janusz","Poly[[hexaaquabis(μ~3~-pyrimidine-4,6-dicarboxylato)dicalcium] dihydrate]","Acta Crystallographica Section E","2012","68","12","m1478","m1479","10.1107/S160053681204617X","","","0.71073","MoKα","","0.1149","0.0334","","","0.0889","0.1073","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237003","20.3249","0.0007","20.3249","0.0007","22.3186","0.0006","90","","90","","120","","7984.6","0.4","180","2","180","2","","","","","","","","7","R 3","R 3","146","","Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III)‒ (nitrato-κ^2^<i>O</i>,<i>O</i>')bis(thiocyanato- κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III) (1/1)","","- C113 H90 Eu2 N6 O9 P6 S5 -","- C113.001 H90 Eu2 N6 O8.997 P6 S5.001 -","- C339.003 H270 Eu6 N18 O26.991 P18 S15.003 -","3","","QM2089","Thames, Anthony T.; White, Frankie D.; Pham, Lam N.; Xiang, Kang Rui; Sykora, Richard E.","Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III)‒(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III) (1/1)","Acta Crystallographica Section E","2012","68","12","m1530","","10.1107/S1600536812047472","","","0.71073","MoKα","","0.0519","0.0424","","","0.0595","0.0653","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237004","9.138","0.0006","6.4257","0.0005","33.884","0.002","90","","95.004","0.004","90","","1982","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-(4-methylstyryl)pyridinium 4-methylbenzenesulfonate","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","RK2384","Krishnakumar, M.; Sudhahar, S.; Silambarasan, A.; Chakkaravarthi, G.; Mohankumar, R.","1-Methyl-4-(4-methylstyryl)pyridinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","12","o3268","","10.1107/S1600536812044509","","","0.71073","MoKα","","0.0919","0.0754","","","0.1753","0.1838","","","","","","1.133","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237005","12.653","0.002","18.542","0.003","18.296","0.003","90","","108.794","0.003","90","","4063.6","1.1","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-<i>N</i>-(<i>tert</i>-butyldimethylsilyl)quinolin-8-aminato- 1:2κ^2^<i>N</i>^1^,<i>N</i>^8^:<i>N</i>^8^](<i>N</i>,<i>N</i>,<i>N</i>', <i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiumsodium","","- C36 H58 Li N6 Na Si2 -","- C36 H58 Li N6 Na Si2 -","- C144 H232 Li4 N24 Na4 Si8 -","4","0.5","RK2385","Chen, Juan; Yuan, Li","Bis[μ-<i>N</i>-(<i>tert</i>-butyldimethylsilyl)quinolin-8-aminato-1:2κ^2^<i>N</i>^1^,<i>N</i>^8^:<i>N</i>^8^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiumsodium","Acta Crystallographica Section E","2012","68","12","m1474","","10.1107/S160053681204576X","","","0.71073","MoKα","","0.1119","0.0621","","","0.1734","0.1953","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237006","17.4056","0.0006","12.1843","0.0003","14.9389","0.0005","90","","110.632","0.004","90","","2964.97","0.18","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-{[2-(Diphenylthiophosphanyl)ferrocenyl]methyl}trimethylammonium iodide chloroform monosolvate","","- C27 H30 Cl3 Fe I N P S -","- C27 H30 Cl3 Fe I N P S -","- C108 H120 Cl12 Fe4 I4 N4 P4 S4 -","4","1","RN2109","Karpous, Andrei; Voitenko, Zoia; Daran, Jean-Claude; Manoury, Eric","<i>rac</i>-{[2-(Diphenylthiophosphanyl)ferrocenyl]methyl}trimethylammonium iodide chloroform monosolvate","Acta Crystallographica Section E","2012","68","12","m1490","m1491","10.1107/S1600536812046053","","","0.71073","MoKα","","0.0302","0.0247","","","0.0581","0.0617","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237007","10.5542","0.0002","14.726","0.0002","14.5377","0.0002","90","","110.106","0.001","90","","2121.77","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","","- C21 H25 N3 O5 S -","- C21 H25 N3 O5 S -","- C84 H100 N12 O20 S4 -","4","1","RN2110","Islor, Arun M.; Vijesh, A. M.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1<i>H</i>-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","Acta Crystallographica Section E","2012","68","12","o3302","o3303","10.1107/S1600536812045333","","","0.71073","MoKα","","0.0507","0.0396","","","0.1044","0.1112","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237008","10.2785","0.0003","10.2785","0.0003","15.2899","0.0006","90","","90","","90","","1615.34","0.09","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","3-(4-Bromophenylsulfonyl)-5-ethyl-2-methyl-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","RN2111","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-ethyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3487","","10.1107/S1600536812048313","","","0.71073","MoKα","","0.0469","0.0342","","","0.0633","0.0666","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237009","10.4793","0.0013","8.7655","0.0011","11.4536","0.0014","90","","107.489","0.002","90","","1003.5","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Tris(5-amino-1<i>H</i>-1,2,4-triazol-4-ium) dihydrogenphosphate hydrogenphosphate trihydrate","","- C6 H24 N12 O11 P2 -","- C6 H24 N12 O11 P2 -","- C12 H48 N24 O22 P4 -","2","1","RU2044","Mrad, Mohamed Lahbib; Zeller, Matthias; Hernandez, Kristen J.; Rzaigui, Mohamed; Ben Nasr, Cherif","Tris(5-amino-1<i>H</i>-1,2,4-triazol-4-ium) dihydrogenphosphate hydrogenphosphate trihydrate","Acta Crystallographica Section E","2012","68","12","o3257","o3258","10.1107/S1600536812044492","","","0.71073","MoKα","","0.0229","0.0225","","","0.0585","0.0588","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237010","10.5271","0.0003","10.5271","0.0003","10.5271","0.0003","90","","90","","90","","1166.61","0.06","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Dipraseodymium molybdenum scandium heptaoxide","","- Mo1.73 O6.97 Pr2 Sc0.27 -","- Mo1.734 O6.972 Pr2 Sc0.266 -","- Mo13.872 O55.776 Pr16 Sc2.128 -","8","0.0416667","RU2045","Gall, Philippe; Gougeon, Patrick","The pyrochlore-type molybdate Pr~2~Mo~1.73~Sc~0.27~O~7~","Acta Crystallographica Section E","2012","68","12","i92","","10.1107/S1600536812045138","","","0.7107","MoKα","","0.0253","0.0182","","","0.0439","0.0468","","","","","","1.329","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237011","24.5792","0.0006","7.5795","0.0002","8.3072","0.0002","90","","107.335","0.001","90","","1477.32","0.06","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-2-hydroxyimino- <i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C56 H64 N24 O8 -","4","1","RZ5011","Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe","2-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-2-hydroxyimino-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2012","68","12","o3381","","10.1107/S1600536812045412","","","0.71073","MoKα","","0.036","0.0315","","","0.078","0.0813","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237012","14.5775","0.0013","11.0798","0.0011","9.5893","0.0009","90","","99.872","0.002","90","","1525.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-methoxybenzylidene]-2-methoxybenzohydrazide","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","RZ5014","Baharudin, M. Syukri.; Taha, Muhammad; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-methoxybenzylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3255","","10.1107/S1600536812042389","","","0.71073","MoKα","","0.051","0.041","","","0.1136","0.1242","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237013","8.7816","0.0018","9.1233","0.0018","14.773","0.003","96.66","0.03","107.15","0.03","90.83","0.03","1121.8","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(±)-1-(1-Allyl-1<i>H</i>-benzimidazol-2-yl)ethanol","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","4","RZ5017","Li, Dong-Ping; Li, Min; Li, Shuai; Hu, Hang-Na","(±)-1-(1-Allyl-1<i>H</i>-benzimidazol-2-yl)ethanol","Acta Crystallographica Section E","2012","68","12","o3254","","10.1107/S1600536812044340","","","0.71073","MoKα","","0.0872","0.0548","","","0.1129","0.1281","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237014","5.4478","0.0007","10.5187","0.0014","14.8171","0.0018","90","","100.99","0.004","90","","833.5","0.18","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,6-diamino-4-chloropyrimidin-1-ium) fumarate","","- C6 H7 Cl N4 O2 -","- C6 H7 Cl N4 O2 -","- C24 H28 Cl4 N16 O8 -","4","1","RZ5019","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul","Bis(2,6-diamino-4-chloropyrimidin-1-ium) fumarate","Acta Crystallographica Section E","2012","68","12","o3321","o3322","10.1107/S1600536812045308","","","0.71073","MoKα","","0.046","0.0422","","","0.1231","0.1265","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237015","7.6375","0.0002","9.517","0.0002","11.2413","0.0002","75.513","0.001","84.848","0.001","71.626","0.001","750.72","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-7-methyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C34 H30 Br2 O4 S2 -","2","1","RZ5021","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-7-methyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3464","","10.1107/S160053681204682X","","","0.71073","MoKα","","0.0331","0.0281","","","0.0719","0.0745","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237016","17.1073","0.0004","8.123","0.0002","17.616","0.0004","90","","110.325","0.001","90","","2295.55","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydrofuran- 3-carbonitrile","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","RZ5022","Rajni Swamy, V.; Krishnakumar, R. V.; Srinivasan, N.; Gunasekaran, P.; Perumal, S.","5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3441","","10.1107/S1600536812046764","","","0.71073","MoKα","","0.0698","0.0404","","","0.0992","0.115","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237017","15.2653","0.0008","4.5541","0.0002","23.7336","0.0009","90","","129.135","0.002","90","","1279.8","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-2-(2-chlorophenoxy)ethanone","","- C14 H10 Br Cl O2 -","- C14 H10 Br Cl O2 -","- C56 H40 Br4 Cl4 O8 -","4","1","RZ5023","Shenvi, Seema S.; Isloor, Arun M.; Gerber, Thomas; Hosten, Eric; Betz, Richard","1-(4-Bromophenyl)-2-(2-chlorophenoxy)ethanone","Acta Crystallographica Section E","2012","68","12","o3478","","10.1107/S160053681204785X","","","0.71073","MoKα","","0.2065","0.0405","","","0.1079","0.1246","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237018","9.833","0.006","5.011","0.003","9.841","0.006","90","","118.27","0.01","90","","427.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-<i>N</i>,3-dimethylbenzamide","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C18 H24 N4 O2 -","2","1","RZ5025","Mei, Xiang-dong; Liang, Yan-hui; Li, Ke-Bin","2-Amino-<i>N</i>,3-dimethylbenzamide","Acta Crystallographica Section E","2012","68","12","o3474","","10.1107/S1600536812048027","","","0.71073","MoKα","","0.0433","0.0422","","","0.1099","0.1109","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237019","8.1987","0.0007","9.6729","0.0009","9.9328","0.0009","84.386","0.009","72.096","0.008","89.239","0.009","745.86","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,5-Dimethylphenyl)-2-nitrobenzenesulfonamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C28 H28 N4 O8 S2 -","2","1","RZ5026","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,5-Dimethylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3426","","10.1107/S1600536812047630","","","0.71073","MoKα","","0.0517","0.0419","","","0.1003","0.1079","","","","","","1.143","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237020","16.1411","0.0001","10.745","0.0006","18.5378","0.0013","90","","113.579","0.002","90","","2946.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(1,3-diphenylpropane-1,3-dionato)methanolato-oxidovanadium(IV)","<i>trans</i>-Bis(1,3-diphenylpropane-1,3-dionato)(methanol)oxidovanadium(IV) methanol disolvate","","- C33 H34 O8 V -","- C33 H34 O8 V -","- C132 H136 O32 V4 -","4","1","SJ5267","Pretorius, Carla; Venter, Johan A.; Roodt, Andreas","<i>trans</i>-Bis(1,3-diphenylpropane-1,3-dionato)(methanol)oxidovanadium(IV) methanol disolvate","Acta Crystallographica Section E","2012","68","12","m1442","m1443","10.1107/S1600536812044686","","","0.71073","MoKα","","0.0627","0.0414","","","","0.1024","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237021","6.456","0.0002","13.0664","0.0003","15.8559","0.0004","90","","91.028","0.002","90","","1337.34","0.06","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-[(1<i>Z</i>)-1-Ferrocenylethylidene]thiocarbonohydrazide","","- C13 H16 Fe N4 S -","- C13 H16 Fe N4 S -","- C52 H64 Fe4 N16 S4 -","4","1","SJ5273","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Ishaq, Muhammad; Alamry, Khalid A.; Shafiq, Muhammad","1-[(<i>Z</i>)-1-Ferrocenylethylidene]thiocarbonohydrazide","Acta Crystallographica Section E","2012","68","12","m1439","","10.1107/S1600536812044078","","","1.54184","CuKα","","0.0631","0.0529","","","0.1438","0.1548","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237022","13.1818","0.0007","10.8481","0.0006","16.6888","0.0009","90","","95.06","0.001","90","","2377.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido(η^6^-<i>p</i>-cymene)(ethoxydiphenylphosphane)ruthenium(II)","","- C24 H29 Cl2 O P Ru -","- C24 H29 Cl2 O P Ru -","- C96 H116 Cl8 O4 P4 Ru4 -","4","1","SJ5274","Knapp, Spring M. M.; Zakharov, Lev N.; Tyler, David R.","Dichlorido(η^6^-<i>p</i>-cymene)(ethoxydiphenylphosphane)ruthenium(II)","Acta Crystallographica Section E","2012","68","12","m1465","","10.1107/S1600536812045461","","","0.71073","MoKα","","0.0407","0.0297","","","0.0628","0.068","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237023","10.2036","0.0006","10.2166","0.0006","17.6687","0.0013","83.775","0.005","73.346","0.006","72.937","0.005","1686.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate","Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate","","- C17 H16 Br2 O3 -","- C17 H16 Br2 O3 -","- C68 H64 Br8 O12 -","4","2","SJ5277","Smith, Graham","Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate","Acta Crystallographica Section E","2012","68","12","o3276","","10.1107/S1600536812044571","","","0.71073","MoKα","","0.0688","0.0551","","","0.1462","0.156","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237024","15.105","0.0013","20.124","0.002","15.1701","0.0014","90","","117.748","0.001","90","","4081","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Tris(4-bromophenyl)dichloridoantimony(V)","","- C18 H12 Br3 Cl2 Sb -","- C18 H12 Br3 Cl2 Sb -","- C144 H96 Br24 Cl16 Sb8 -","8","1","SJ5279","Qiao, Yanling; Jiang, Jin; Cui, Jichun","<i>trans</i>-Tris(4-bromophenyl)dichloridoantimony(V)","Acta Crystallographica Section E","2012","68","12","m1552","","10.1107/S160053681204809X","","","0.71073","MoKα","","0.0786","0.04","","","0.0858","0.0974","","","","","","0.913","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237025","9.397","0.0019","9.458","0.0019","10.131","0.002","70.24","0.03","67.11","0.03","75.52","0.03","773.3","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]‒ 1,2-bis(pyridin-4-yl)ethene‒water (1/1/2)","","- C24 H34 Mn2 N2 O20 -","- C24 H34 Mn2 N2 O20 -","- C24 H34 Mn2 N2 O20 -","1","0.5","SJ5281","Hwang, In Hong; Kim, Pan-Gi; Lee, Jae-Cheon; Kim, Cheal; Kim, Youngmee","Bis(μ-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]‒1,2-bis(pyridin-4-yl)ethene‒water (1/1/2)","Acta Crystallographica Section E","2012","68","12","m1516","m1517","10.1107/S1600536812047034","","","0.71073","MoKα","","0.0482","0.0381","","","0.0946","0.0975","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237026","20.4359","0.0011","7.2437","0.0004","9.4693","0.0005","90","","98.222","0.003","90","","1387.35","0.13","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(3-Chloro-2,2-dimethylpropanamido)benzenesulfonamide","","- C11 H15 Cl N2 O3 S -","- C11 H15 Cl N2 O3 S -","- C44 H60 Cl4 N8 O12 S4 -","4","1","SJ5282","Yalçın, Şerife Pınar; Akkurt, Mehmet; Durgun, Mustafa; Türkkan, Baki; Türkmen, Hasan","4-(3-Chloro-2,2-dimethylpropanamido)benzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3430","","10.1107/S1600536812046806","","","0.71073","MoKα","","0.1632","0.0844","","","0.1896","0.231","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237027","7.1334","0.0015","8.4229","0.0018","15.292","0.002","90","","99.792","0.014","90","","905.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dihydrobenzo[<i>g</i>]quinoxaline-2,3-dione","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","SJ5284","Eya'ane Meva, François; Schaarschmidt, Dieter; Abdulmalic, Mohammad A.; Rüffer, Tobias","1,4-Dihydrobenzo[<i>g</i>]quinoxaline-2,3-dione","Acta Crystallographica Section E","2012","68","12","o3460","o3461","10.1107/S1600536812047526","","","0.71073","MoKα","","0.1269","0.0938","","","0.2305","0.2714","","","","","","0.919","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237028","12.5455","0.0001","10.1989","0.0001","15.934","0.0002","90","","99.5027","0.0011","90","","2010.78","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[4-(Prop-2-en-1-yloxy)benzyl]-2-[4-(prop-2-en-1-yloxy)phenyl]- 1<i>H</i>-benzimidazole","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","1","SU2508","Rahman, Md. Lutfor; Kwong, Huey Chong; Mohd. Yusoff, Mashitah; Hegde, Gurumurthy; Mohamed Tahir, Mohamed Ibrahim","1-[4-(Prop-2-en-1-yloxy)benzyl]-2-[4-(prop-2-en-1-yloxy)phenyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","12","o3311","o3312","10.1107/S160053681204559X","","","1.5418","CuKα","","0.0414","0.0382","","0.1","0.0969","0.0999","","","","","","0.9888","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237029","4.894","0.003","5.769","0.004","18.369","0.009","97.226","0.003","90.088","0.004","96.796","0.004","510.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Tetraaquabis[2-(4-chlorophenoxy)acetato-κ<i>O</i>^1^]nickel(II)","","- C16 H20 Cl2 Ni O10 -","- C16 H20 Cl2 Ni O10 -","- C16 H20 Cl2 Ni O10 -","1","0.5","SU2512","Ashurov, Jamshid; Ziyaev, Mavlonbek; Ibragimov, Bakhtiyar; Talipov, Samat","<i>trans</i>-Tetraaquabis[2-(4-chlorophenoxy)acetato-κ<i>O</i>^1^]nickel(II)","Acta Crystallographica Section E","2012","68","12","m1464","","10.1107/S1600536812045540","","","1.54184","CuKα","","0.1093","0.0986","","","0.2453","0.2716","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237030","7.4423","0.0001","15.6578","0.0002","26.8496","0.0003","90","","90","","90","","3128.79","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-16β-Acetoxy-3β-bromo-23',26-epoxy-23',25-dimethyl-5α-cholest-23,23'-en-6-one dichloromethane monosolvate","","- C32 H47 Br Cl2 O5 -","- C32 H47 Br Cl2 O5 -","- C128 H188 Br4 Cl8 O20 -","4","1","SU2514","Rincón, Susana; Yépez, Rebeca; Ochoa, M. Eugenia; López, Yliana; Santillan, Rosa; Farfán, Norberto","(25<i>R</i>)-16β-Acetoxy-3β-bromo-23',26-epoxy-23',25-dimethyl-5α-cholest-23,23'-en-6-one dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","o3260","o3261","10.1107/S1600536812043590","","","0.71073","MoKα","","0.1038","0.0683","","","0.1623","0.1809","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2237031","4.748","0.0002","9.9256","0.0004","13.3084","0.0004","90","","91.468","0.003","90","","626.98","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (<i>Z</i>)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate","","- C11 H13 Cl N2 O3 -","- C11 H13 Cl N2 O3 -","- C22 H26 Cl2 N4 O6 -","2","1","SU2515","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Zayed, Mohie E. M.; Alamry, Khalid A.; Shafiq, Muhammad","Ethyl (<i>Z</i>)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate","Acta Crystallographica Section E","2012","68","12","o3274","","10.1107/S1600536812044285","","","1.54184","CuKα","","0.041","0.038","","","0.104","0.1087","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237032","17.443","0.004","11.2197","0.0019","9.4435","0.0019","90","","92.67","0.02","90","","1846.1","0.6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(4-methylpyridin-2-amine-κ<i>N</i>^1^)(2-{[(4-methylpyridin-2- yl)imino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)copper(II)","","- C19 H19 Cl Cu N4 O -","- C19 H19 Cl Cu N4 O -","- C76 H76 Cl4 Cu4 N16 O4 -","4","1","SU2518","Bhagyaraju, Bussa; Sambasiva Rao, P.; Swu, Toka","Chlorido(4-methylpyridin-2-amine-κ<i>N</i>^1^)(2-{[(4-methylpyridin-2-yl)imino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2012","68","12","m1523","","10.1107/S1600536812047198","","","0.7107","MoKα","","0.1102","0.0553","","","0.0962","0.1135","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237033","5.9358","0.0001","25.6916","0.0004","9.0535","0.0001","90","","92.065","0.001","90","","1379.76","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-1-(2-methoxyphenyl)thiourea","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","SU2519","Selvakumaran, N.; Sheeba, M. Mary; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Benzoyl-1-(2-methoxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","12","o3259","","10.1107/S160053681204456X","","","1.54184","CuKα","","0.0366","0.034","","","0.0951","0.0974","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237034","8.26012","0.00015","20.2309","0.0004","16.5268","0.0003","90","","99.918","0.001","90","","2720.51","0.09","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,7-Dibutoxy-1,8-bis(4-fluorobenzoyl)naphthalene","[2,7-Dibutoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone","","- C32 H30 F2 O4 -","- C32 H30 F2 O4 -","- C128 H120 F8 O16 -","4","1","SU2520","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","[2,7-Dibutoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone","Acta Crystallographica Section E","2012","68","12","o3287","","10.1107/S1600536812044923","","","1.54187","CuKα","","0.0459","0.0445","","","0.115","0.1162","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237035","5.5099","0.0003","11.8839","0.0005","15.1704","0.0006","90","","90","","90","","993.34","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Iododurene","1-Iodo-2,3,5,6-tetramethylbenzene","","- C10 H13 I -","- C10 H13 I -","- C40 H52 I4 -","4","1","SU2521","Hamdouni, Noudjoud; Brihi, Ouarda; Medjroubi, Mohamed Larbi; Meinnel, Jean; Boudjada, Ali","Iododurene","Acta Crystallographica Section E","2012","68","12","o3391","","10.1107/S1600536812046557","","","0.71073","MoKα","","0.0404","0.0346","","0.0446","0.0402","0.0394","","","","","","1.0371","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237036","8.0407","0.0002","8.0838","0.0002","11.3517","0.0002","80.126","0.001","85.091","0.001","66.773","0.001","667.88","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C32 H26 F2 O4 S2 -","2","1","SU2522","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3338","","10.1107/S1600536812044844","","","0.71073","MoKα","","0.0357","0.0339","","","0.09","0.0913","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237037","16.2403","0.0005","7.1539","0.0003","15.2458","0.0005","90","","90","","90","","1771.28","0.11","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","ferron-quinoline hydrate salt","Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate","","- C18 H14.6 I N2 O4.8 S -","- C18 H14.6 I N2 O4.8 S -","- C72 H58.4 I4 N8 O19.2 S4 -","4","1","SU2523","Smith, Graham","Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate","Acta Crystallographica Section E","2012","68","12","o3349","","10.1107/S1600536812046247","","","0.71073","MoKα","","0.0494","0.0397","","","0.0771","0.0819","","","","","","1.177","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237038","6.3821","0.0008","32.301","0.004","6.8721","0.0008","90","","111.44","0.002","90","","1318.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(<i>E</i>)-2-(Pyridin-2-yl)ethenyl]pyridine‒terephthalic acid (2/1)","","- C32 H26 N4 O4 -","- C32 H26 N4 O4 -","- C64 H52 N8 O8 -","2","0.5","SU2525","Castro-Montes, Paola; Guerrero-Alvarez, Jorge A.; Hopfl, Herbert; Campos-Gaxiola, Jose J.; Cruz-Enriquez, Adriana","4-[(<i>E</i>)-2-(Pyridin-2-yl)ethenyl]pyridine‒terephthalic acid (2/1)","Acta Crystallographica Section E","2012","68","12","o3383","o3384","10.1107/S1600536812046284","","","0.71073","MoKα","","0.0601","0.0546","","","0.1444","0.149","","","","","","1.168","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237039","19.4146","0.0009","13.1517","0.0006","19.3459","0.0009","90","","94.66","0.002","90","","4923.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichloridobis{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κ<i>P</i>}platinum(II) dichloromethane disolvate","","- C42 H68 Cl6 N2 P2 Pt -","- C42 H68 Cl6 N2 P2 Pt -","- C168 H272 Cl24 N8 P8 Pt4 -","4","0.5","SU2526","Davis, Wade L.; Meijboom, Reinout","<i>trans</i>-Dichloridobis{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κ<i>P</i>}platinum(II) dichloromethane disolvate","Acta Crystallographica Section E","2012","68","12","m1561","","10.1107/S1600536812048465","","","1.54178","CuKα","","0.0254","0.0248","","","0.0665","0.067","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237040","7.1858","0.0001","9.8577","0.0002","29.331","0.0005","90","","96.8591","0.0015","90","","2062.8","0.06","119.9","0.6","119.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dibenzyl-2-(2-chlorophenyl)-4-methylimidazolidine","","- C24 H25 Cl N2 -","- C24 H25 Cl N2 -","- C96 H100 Cl4 N8 -","4","1","SU2527","Rivera, Augusto; Cardenas, Lorena; Ríos-Motta, Jaime; Eigner, Václav; Dušek, Michal","1,3-Dibenzyl-2-(2-chlorophenyl)-4-methylimidazolidine","Acta Crystallographica Section E","2012","68","12","o3427","o3428","10.1107/S1600536812047575","","","1.5418","CuKα","","0.0452","0.0434","","","0.1433","0.1443","","","","","","2.91","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237041","7.1256","0.0008","7.8537","0.0008","13.0769","0.0015","90","","115.678","0.001","90","","659.54","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-chloro-6-methylpyrimidin-4-amine","2-Chloro-6-methylpyrimidin-4-amine","","- C5 H6 Cl N3 -","- C5 H6 Cl N3 -","- C20 H24 Cl4 N12 -","4","1","SU2530","Dong, Su-Lan; Cheng, Xiaochun","2-Chloro-6-methylpyrimidin-4-amine","Acta Crystallographica Section E","2012","68","12","o3455","","10.1107/S1600536812047794","","","0.71073","MoKα","","0.0582","0.0568","","","0.1413","0.1427","","","","","","1.165","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237042","8.4872","0.0001","8.773","0.0002","10.4572","0.0003","73.711","0.004","85.281","0.004","63.393","0.003","667.37","0.03","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","4-(5-Chloropentanamido)benzenesulfonamide","","- C11 H15 Cl N2 O3 S -","- C11 H15 Cl N2 O3 S -","- C22 H30 Cl2 N4 O6 S2 -","2","1","SU2531","Türkmen, Hasan; Yalçın, Şerife Pınar; Akkurt, Mehmet; Durgun, Mustafa","4-(5-Chloropentanamido)benzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3475","o3476","10.1107/S1600536812048118","","","0.71073","MoKα","","0.0916","0.0647","","","0.1543","0.1687","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237043","13.5314","0.0016","8.0328","0.0009","15.922","0.002","90","","90","","90","","1730.6","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Rubia: RS087:PhPEtO2H","<i>rac</i>-Ethyl(phenyl)phosphinic acid","","- C8 H11 O2 P -","- C8 H11 O2 P -","- C64 H88 O16 P8 -","8","1","SU2532","Burrow, Robert A.; da Silva, Rubia M. Siqueira","<i>rac</i>-Ethyl(phenyl)phosphinic acid","Acta Crystallographica Section E","2012","68","12","o3488","","10.1107/S160053681204812X","","","0.71073","MoKα","","0.0918","0.0445","","","0.1054","0.1278","","","","","","1.094","","","","has coordinates,has Fobs","204117","2020-10-21","18:00:00",""
"2237044","10.5634","0.0004","10.648","0.0006","8.056","0.0007","90","","93.044","0.002","90","","904.85","0.1","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(phenylimino)methyl]-1<i>H</i>-pyrrol-1-ido}palladium(II)","","- C22 H18 N4 Pd -","- C22 H18 N4 Pd -","- C44 H36 N8 Pd2 -","2","0.5","SU2533","Imhof, Wolfgang","Bis{2-[(phenylimino)methyl]-1<i>H</i>-pyrrol-1-ido}palladium(II)","Acta Crystallographica Section E","2012","68","12","m1567","","10.1107/S1600536812048143","","","0.71073","MoKα","","0.0562","0.0317","","","0.0697","0.0781","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237045","14.747","0.002","9.1038","0.0013","21.376","0.003","90","","117.576","0.008","90","","2543.8","0.6","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","<i>trans</i>-Di-μ-chlorido-bis{chlorido[tris(3,5-dimethylphenyl)phosphane- κ<i>P</i>]palladium(II)} dichloromethane monosolvate","","- C49 H56 Cl6 P2 Pd2 -","- C49 H56 Cl6 P2 Pd2 -","- C98 H112 Cl12 P4 Pd4 -","2","0.5","SU2534","Davis, Wade L.; Muller, Alfred","<i>trans</i>-Di-μ-chlorido-bis{chlorido[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]palladium(II)} dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","m1563","m1564","10.1107/S1600536812048556","","","0.71073","MoKα","","0.0632","0.0402","","","0.0877","0.0981","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237046","12.556","0.005","20.881","0.008","4.6651","0.0018","90","","90","","90","","1223.1","0.8","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Benzyl-1<i>H</i>-benzotriazole 3-oxide monohydrate","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","TK5165","Selvarathy Grace, P.; Jebas, Samuel Robinson; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyl-1<i>H</i>-benzotriazole 3-oxide monohydrate","Acta Crystallographica Section E","2012","68","12","o3297","","10.1107/S1600536812044868","","","0.71073","MoKα","","0.0928","0.052","","","0.1191","0.1403","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237047","8.7591","0.0014","6.5478","0.0008","19.456","0.003","90","","102.58","0.014","90","","1089.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxybenzamidinium acetate","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","TK5166","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium acetate","Acta Crystallographica Section E","2012","68","12","o3277","","10.1107/S1600536812044911","","","0.71073","MoKα","","0.0749","0.0556","","","0.1304","0.1412","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237048","14.1346","0.0005","15.2184","0.0006","14.5603","0.0006","90","","102.337","0.001","90","","3059.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5''-(4-Chlorobenzylidene)-1'-(4-chlorophenyl)-1''-methyl- 1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine- 2',3''-piperidine]-2,4''(1<i>H</i>)-dione","","- C37 H32 Cl2 N2 O2 -","- C37 H32 Cl2 N2 O2 -","- C148 H128 Cl8 N8 O8 -","4","1","TK5167","Suresh, J.; Nagalakshmi, R. A.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","5''-(4-Chlorobenzylidene)-1'-(4-chlorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","12","o3315","o3316","10.1107/S160053681204545X","","","0.71073","MoKα","","0.0903","0.0461","","","0.0959","0.1133","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237049","7.3497","0.0003","8.472","0.0004","12.8629","0.0005","102.77","0.003","99.545","0.003","107.779","0.004","719.96","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 3,4-dimethylthieno[2,3-<i>b</i>]thiophene-2,5-dicarboxylate","","- C14 H16 O4 S2 -","- C14 H16 O4 S2 -","- C28 H32 O8 S4 -","2","1","TK5168","Akkurt, Mehmet; Kennedy, Alan R.; Younes, Sabry H. H.; Mohamed, Shaaban K.; Miller, Gary J.","Diethyl 3,4-dimethylthieno[2,3-<i>b</i>]thiophene-2,5-dicarboxylate","Acta Crystallographica Section E","2012","68","12","o3332","o3333","10.1107/S160053681204593X","","","0.71073","MoKα","","0.0638","0.0445","","","0.0951","0.1061","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237050","14.602","0.005","9.963","0.002","10.974","0.004","90","","93.321","0.013","90","","1593.8","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dibromo-2,2,6,6,7,7-hexamethyloctane-4-one","","- C14 H26 Br2 O -","- C14 H26 Br2 O -","- C56 H104 Br8 O4 -","4","1","TK5169","Sorensen, Ted S.; Hou, Jianjun; Parvez, Masood","3,5-Dibromo-2,2,6,6,7,7-hexamethyloctane-4-one","Acta Crystallographica Section E","2012","68","12","o3367","","10.1107/S160053681204603X","","","0.71073","MoKα","","0.0392","0.0291","","","0.069","0.0732","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237051","8.2823","0.0008","8.3436","0.0009","10.67","0.001","76.73","0.008","89.298","0.009","86.875","0.009","716.59","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(3,5-Dichlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H8 Cl2 N2 O4 S -","- C12 H8 Cl2 N2 O4 S -","- C24 H16 Cl4 N4 O8 S2 -","2","1","TK5173","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3,5-Dichlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3482","","10.1107/S1600536812048283","","","0.71073","MoKα","","0.0399","0.0347","","","0.0887","0.0922","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237052","8.998","0.003","8.4","0.003","24.643","0.007","90","","90","","90","","1862.6","1.1","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Dichloro-2,3-bis(chloromethyl)butane","","- C6 H10 Cl4 -","- C6 H10 Cl4 -","- C48 H80 Cl32 -","8","1","TK5174","Cordes, David B.; Aitken, Kati M.; Aitken, R. Alan","1,4-Dichloro-2,3-bis(chloromethyl)butane","Acta Crystallographica Section E","2012","68","12","o3495","","10.1107/S1600536812048398","","","0.71073","MoKα","","0.0319","0.03","","","0.0736","0.0748","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237053","38.8848","0.0008","13.5741","0.0003","10.8871","0.0002","90","","103.967","0.001","90","","5576.6","0.2","150","1","150","1","","","","","","","","6","C 1 2 1","C 2y","5","","[(<i>R</i>)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl- κ^2^<i>P</i>,<i>P</i>']{2-[(2<i>R</i>)-1,2-diamino-1-(4-methoxyphenyl)- 3-methylbutyl]-5-methoxyphenyl-κ<i>C</i>^1^}hydridoruthenium(II) benzene monosolvate","","- C69 H64 N2 O2 P2 Ru -","- C69 H64 N2 O2 P2 Ru -","- C276 H256 N8 O8 P8 Ru4 -","4","1","VM2180","Abdur-Rashid, Kamaluddin; Lough, Alan J.","[(<i>R</i>)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']{2-[(2<i>R</i>)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]-5-methoxyphenyl-κ<i>C</i>^1^}hydridoruthenium(II) benzene monosolvate","Acta Crystallographica Section E","2012","68","12","m1486","m1487","10.1107/S1600536812046065","","","0.71073","MoKα","","0.051","0.0392","","","0.0835","0.0888","","","","","","1.036","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2237054","9.7207","0.0007","18.4183","0.0013","18.246","0.0012","90","","92.721","0.007","90","","3263.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>R</i>*,2<i>S</i>*)-<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-1<i>H</i>-pyrrol-2- ylmethylidene]cyclohexane-1,2-diamine monohydrate","","- C16 H22 N4 O -","- C16 H22 N4 O -","- C128 H176 N32 O8 -","8","2","VM2181","Akerman, Kate J.","(1<i>R*</i>,2<i>S</i>*)-<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-1<i>H</i>-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate","Acta Crystallographica Section E","2012","68","12","o3354","o3355","10.1107/S1600536812046193","","","0.71073","MoKα","","0.1001","0.0501","","","0.1167","0.1308","","","","","","0.845","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237055","11.7307","0.0008","11.901","0.0009","15.4224","0.0012","102.52","0.009","96.794","0.009","107.4","0.008","1966.6","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] bis[4-(dimethylamino)pyridine- κ<i>N</i>^1^]tetrakis(thiocyanato-κ<i>N</i>)manganate(II)","","- C32 H42 Mn N12 S4 -","- C32 H42 Mn N12 S4 -","- C64 H84 Mn2 N24 S8 -","2","1","VM2182","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Bis[4-(dimethylamino)pyridinium] bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]tetrakis(thiocyanato-κ<i>N</i>)manganate(II)","Acta Crystallographica Section E","2012","68","12","m1528","","10.1107/S1600536812047678","","","0.71073","MoKα","","0.0644","0.0435","","","0.1107","0.1207","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237056","30.8562","0.0018","5.0491","0.0003","21.8915","0.0013","90","","119.403","0.001","90","","2971.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(9-allyl-6-carboxy-9<i>H</i>-carbazole-3-carboxylato- κ^2^<i>O</i>^3^,<i>O</i>^3'^)diaquazinc","","- C34 H28 N2 O10 Zn -","- C34 H28 N2 O10 Zn -","- C136 H112 N8 O40 Zn4 -","4","0.5","VN2058","Li, Dailin","Bis(9-allyl-6-carboxy-9<i>H</i>-carbazole-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^3'^)diaquazinc","Acta Crystallographica Section E","2012","68","12","m1462","","10.1107/S1600536812045357","","","0.71073","MoKα","","0.0487","0.0357","","","0.093","0.1004","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237057","8.01","0.002","8.788","0.002","14.294","0.004","90","","103.019","0.012","90","","980.3","0.4","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Bis(butane-1,4-diammonium) di-μ-oxido-bis[trifluoridooxidomolybdate(V)] monohydrate","","- C8 H30 F6 Mo2 N4 O5 -","- C8 H30 F6 Mo2 N4 O5 -","- C16 H60 F12 Mo4 N8 O10 -","2","0.5","VN2059","Lhoste, J.; Hemon-Ribaud, A.; Maisonneuve, V.; Jobic, S.; Bujoli-Doeuff, M.","Bis(butane-1,4-diammonium) di-μ-oxido-bis[trifluoridooxidomolybdate(V)] monohydrate","Acta Crystallographica Section E","2012","68","12","m1520","","10.1107/S1600536812046892","","","0.71073","MoKα","","0.0395","0.03","","","0.073","0.0782","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237058","9.4445","0.0004","12.7322","0.0004","16.9153","0.0005","109.098","0.003","92.905","0.003","96.05","0.003","1903.53","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","(1<i>H</i>-Pyrazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato- κ^2^<i>O</i>,<i>S</i>)cadmium","","- C27 H58 Cd N2 O6 S2 Si2 -","- C27 H58 Cd N2 O6 S2 Si2 -","- C54 H116 Cd2 N4 O12 S4 Si4 -","2","1","VN2060","Baranowska, Katarzyna; Bulman, Mateusz; Dołega, Anna","(1<i>H</i>-Pyrazole-κ<i>N</i>)bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)cadmium","Acta Crystallographica Section E","2012","68","12","m1515","","10.1107/S1600536812047186","","","0.71073","MoKα","","0.0495","0.039","","","0.097","0.1027","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237059","8.7857","0.0007","13.5401","0.0008","12.2054","0.0009","90","","95.74","0.006","90","","1444.67","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[(μ~3~-pyridine-4-carboxylato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>)(pyridin- 1-ium-4-carboxylato-κ<i>O</i>)(thiocyanato-κ<i>N</i>)cobalt(II)]","","- C13 H9 Co N3 O4 S -","- C13 H9 Co N3 O4 S -","- C52 H36 Co4 N12 O16 S4 -","4","1","WM2684","Neumann, Tristan; Werner, Julia; Jess, Inke; Näther, Christian","Poly[(μ~3~-pyridine-4-carboxylato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>)(pyridin-1-ium-4-carboxylato-κ<i>O</i>)(thiocyanato-κ<i>N</i>)cobalt(II)]","Acta Crystallographica Section E","2012","68","12","m1435","","10.1107/S1600536812044431","","","0.71073","MoKα","","0.0594","0.0446","","","0.0929","0.0983","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237060","8.344","0.0002","12.5214","0.0003","13.3871","0.0002","90","","90","","90","","1398.66","0.05","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Di-μ-hydroxido-bis[dimethyl(thiocyanato-κ<i>N</i>)tin(IV)]","","- C6 H14 N2 O2 S2 Sn2 -","- C6 H14 N2 O2 S2 Sn2 -","- C24 H56 N8 O8 S8 Sn8 -","4","0.5","WM2689","Sow, Yaya; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabriele","Di-μ-hydroxido-bis[dimethyl(thiocyanato-κ<i>N</i>)tin(IV)]","Acta Crystallographica Section E","2012","68","12","m1436","","10.1107/S1600536812043462","","","0.71073","MoKα","","0.0376","0.0257","","","0.0528","0.0562","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237061","11.492","0.001","9.9604","0.0008","7.7106","0.0009","90","","109.585","0.009","90","","831.53","0.15","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Silver zinc hexadecaphosphide","","- Ag3.73 P16 Zn2.27 -","- Ag3.728 P16 Zn2.272 -","- Ag7.456 P32 Zn4.544 -","2","0.25","WM2694","Köpf, Marianne; Osters, Oliver; Bawohl, Melanie; Nilges, Tom","The layered polyphosphide Ag~3.73(4)~Zn~2.27(4)~P~16~","Acta Crystallographica Section E","2012","68","12","i91","","10.1107/S1600536812045667","","","0.71073","MoKα","","0.023","0.0175","","","0.0409","0.0424","","","","","","1.39","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237062","8.2156","0.0017","13.248","0.003","14.317","0.003","98.82","0.02","97.42","0.02","102.42","0.02","1482.4","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-diisopropylhydoxylaminato)- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>O</i>:<i>O</i>- bis[(diisopropylhydoxylaminato-κ<i>O</i>)beryllium]","","- C24 H56 Be2 N4 O4 -","- C24 H56 Be2 N4 O4 -","- C48 H112 Be4 N8 O8 -","2","1","WM2695","Berger, Raphael Johann Friedrich; Jana, Surajit; Monkowius, Uwe; Mitzel, Norbert Werner","Bis(μ-diisopropylhydoxylaminato)-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>O</i>:<i>O</i>-bis[(diisopropylhydoxylaminato-κ<i>O</i>)beryllium]","Acta Crystallographica Section E","2012","68","12","m1463","","10.1107/S1600536812045655","","","0.71073","MoKα","","0.1557","0.0611","","","0.127","0.1688","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237063","9.3531","0.0004","7.3521","0.0001","17.9903","0.0007","90","","95.6","0.002","90","","1231.2","0.07","273","","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipyridinium diaquabis(pyrazole-3,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)cuprate(II) dihydrate","","- C20 H24 Cu N6 O12 -","- C20 H24 Cu N6 O12 -","- C40 H48 Cu2 N12 O24 -","2","0.5","WM2698","Si, Youtao","Dipyridinium diaquabis(pyrazole-3,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)cuprate(II) dihydrate","Acta Crystallographica Section E","2012","68","12","m1497","m1498","10.1107/S1600536812046508","","","0.71073","MoKα","","0.091","0.0754","","","0.1464","0.1543","","","","","","1.264","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237064","11.9467","0.0002","14.6159","0.0002","15.519","0.0003","90","","100.339","0.002","90","","2665.8","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-{2,6-Bis[(di-<i>tert</i>- butylphosphanyl)methyl]cyclohexyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}chloridopalladium(II)","","- C24 H49 Cl P2 Pd -","- C24 H49 Cl P2 Pd -","- C96 H196 Cl4 P8 Pd4 -","4","1","WM2700","Olsson, Daniel; Janse van Rensburg, J. Marthinus; Wendt, Ola F.","<i>cis</i>-{2,6-Bis[(di-<i>tert</i>-butylphosphanyl)methyl]cyclohexyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}chloridopalladium(II)","Acta Crystallographica Section E","2012","68","12","m1513","","10.1107/S1600536812047022","","","0.71073","MoKα","","0.0433","0.0281","","","0.0661","0.0695","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237065","9.664","0.0019","13.052","0.003","15.947","0.003","88.66","0.03","84.8","0.03","85.72","0.03","1997.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[5-(Pyridin-2-yl)-1<i>H</i>-tetrazole- κ^2^<i>N</i>^4^,<i>N</i>^5^]bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate","","- C42 H35 B Cu F4 N5 P2 -","- C42 H35 B Cu F4 N5 P2 -","- C84 H70 B2 Cu2 F8 N10 P4 -","2","1","XU5633","Lu, Lei; Yang, Ping; Li, Bing; Shi, Lin-Fang; Cao, Hua-Ru","[5-(Pyridin-2-yl)-1<i>H</i>-tetrazole-κ^2^<i>N</i>^4^,<i>N</i>^5^]bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","12","m1527","","10.1107/S1600536812047605","","","0.71073","MoKα","","0.1183","0.05","","","0.1043","0.1658","","","","","","1.142","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237066","22.8022","0.0011","14.2637","0.0008","8.2259","0.0004","90","","90","","90","","2675.4","0.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Chloro-1<i>H</i>-1,2,3-benzotriazole","","- C6 H4 Cl N3 -","- C6 H4 Cl N3 -","- C96 H64 Cl16 N48 -","16","1","XU5634","Yuan, Ming-Yong; Zhao, Xia; Zheng, Ling-Li","1-Chloro-1<i>H</i>-1,2,3-benzotriazole","Acta Crystallographica Section E","2012","68","12","o3432","","10.1107/S1600536812044820","","","0.71073","MoKα","","0.0335","0.0303","","","0.0583","0.0602","","","","","","1.059","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2237067","26.37","0.005","8.97","0.002","20.35","0.004","90","","126.184","0.01","90","","3885.2","1.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(adeninium) bis(hydrogensulfate) sulfate","","- C10 H16 N10 O12 S3 -","- C10 H16 N10 O12 S3 -","- C80 H128 N80 O96 S24 -","8","1","XU5635","Guenifa, Fatiha; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","Bis(adeninium) bis(hydrogensulfate) sulfate","Acta Crystallographica Section E","2012","68","12","o3266","o3267","10.1107/S1600536812044728","","","0.71073","MoKα","","0.0693","0.0428","","","0.1164","0.1308","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237068","7.3063","0.0002","8.3258","0.0005","13.126","0.0007","90.695","0.006","105.935","0.004","110.232","0.004","715.32","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(3-Acetyl-5-carboxylato-4-methyl-1<i>H</i>-pyrazol-1-ido- κ^2^<i>N</i>^1^,<i>O</i>^5^)aqua[(pyridin-2-yl)methanamine- κ^2^<i>N</i>,<i>N</i>']copper(II)","","- C13 H16 Cu N4 O4 -","- C13 H16 Cu N4 O4 -","- C26 H32 Cu2 N8 O8 -","2","1","XU5636","Malinkin, Sergey; Pavlenko, Vadim A.; Gumienna-Kontecka, Elzbieta; Prisyazhnaya, Elena V.; Iskenderov, Turganbay S.","(3-Acetyl-5-carboxylato-4-methyl-1<i>H</i>-pyrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>^5^)aqua[(pyridin-2-yl)methanamine-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section E","2012","68","12","m1455","m1456","10.1107/S1600536812044959","","","0.71073","MoKα","","0.0344","0.0274","","","0.0723","0.074","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237069","8.2516","0.0002","8.8822","0.0002","14.7524","0.0004","74.857","0.002","86.315","0.002","74.635","0.002","1006.38","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2,4,6-Trimethylphenyl){2-[<i>N</i>-(2,4,6- trimethylphenyl)formamido]ethyl}ammonium chloride","","- C21 H29 Cl N2 O -","- C21 H29 Cl N2 O -","- C42 H58 Cl2 N4 O2 -","2","1","XU5637","Ikhile, Monisola I.; Bala, Muhammad D.","(2,4,6-Trimethylphenyl){2-[<i>N</i>-(2,4,6-trimethylphenyl)formamido]ethyl}ammonium chloride","Acta Crystallographica Section E","2012","68","12","o3263","","10.1107/S1600536812044595","","","0.71073","MoKα","","0.081","0.0443","","","0.0955","0.1073","","","","","","0.903","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237070","11.3021","0.0005","11.4445","0.0005","15.086","0.0006","91.089","0.004","96.024","0.003","96.448","0.004","1927.34","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')(dimethylformamide-κ<i>O</i>)indium(III) hemihydrate","","- C15 H20 Cl3 In N3 O1.5 -","- C15 H20 Cl3 In N3 O1.5 -","- C60 H80 Cl12 In4 N12 O6 -","4","2","XU5639","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali","Trichlorido(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethylformamide-κ<i>O</i>)indium(III) hemihydrate","Acta Crystallographica Section E","2012","68","12","m1448","m1449","10.1107/S1600536812044698","","","0.71073","MoKα","","0.0507","0.0336","","","0.0631","0.0666","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237071","11.8005","0.0002","14.5169","0.0002","18.483","0.0003","89.4032","0.0008","85.4648","0.0009","87.7804","0.0009","3153.89","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) trifluoroacetate ethanol monosolvate","","- C76 H66 Ag F3 O3 P4 -","- C76 H66 Ag F3 O3 P4 -","- C152 H132 Ag2 F6 O6 P8 -","2","1","XU5640","Ng, Seik Weng","Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) trifluoroacetate ethanol monosolvate","Acta Crystallographica Section E","2012","68","12","m1536","","10.1107/S1600536812045060","","","0.71073","MoKα","","0.0639","0.0469","","","0.1111","0.1218","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237072","11.9069","0.0002","14.553","0.0003","18.5573","0.0004","88.893","0.002","85.782","0.001","86.808","0.001","3201.57","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(triphenylarsane-κ<i>As</i>)silver(I) trifluoroacetate hemihydrate methanol hemisolvate","","- C74.5 H63 Ag As4 F3 O3 -","- C74.5 H63 Ag As4 F3 O3 -","- C149 H126 Ag2 As8 F6 O6 -","2","1","XU5641","Ng, Seik Weng","Tetrakis(triphenylarsane-κ<i>As</i>)silver(I) trifluoroacetate hemihydrate methanol hemisolvate","Acta Crystallographica Section E","2012","68","12","m1537","","10.1107/S1600536812045072","","","0.71073","MoKα","","0.0874","0.0478","","","0.095","0.1112","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237073","13.3568","0.0008","15.0271","0.0009","20.7493","0.0013","71.359","0.002","71.551","0.002","89.253","0.002","3725.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~3~-acetato-bis{μ-6,6'-diethoxy-2,2'-[propane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate","","- C47.33 H58 Cd2 N4 Na2 O12.67 -","- C47.3333 H58 Cd2 N4 Na2 O12.6667 -","- C142 H174 Cd6 N12 Na6 O38 -","3","1.5","XU5642","Ng, Seik Weng","Di-μ~3~-acetato-bis{μ-6,6'-diethoxy-2,2'-[propane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate","Acta Crystallographica Section E","2012","68","12","m1548","m1549","10.1107/S1600536812047356","","","0.71073","MoKα","","0.0624","0.0536","","","0.1401","0.147","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237074","12.23","0.004","12.346","0.003","16.794","0.005","82.229","0.007","72.773","0.006","81.181","0.01","2382.5","1.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Dibenzo[<i>b</i>,<i>g</i>]indeno[1',2':3,4]fluoreno[1,2-<i>d</i>]oxonine- 5,11,16,21-tetraone","","","- C34 H16 O5 -","- C34 H16 O5 -","- C136 H64 O20 -","4","2","XU5643","Mohamed, Shaaban Kamel; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Marzouk, Adel A.","Dibenzo[<i>b</i>,<i>g</i>]indeno[1',2':3,4]fluoreno[1,2-<i>d</i>]oxonine-5,11,16,21-tetraone","Acta Crystallographica Section E","2012","68","12","o3363","o3364","10.1107/S1600536812046363","","","0.71073","MoKα","","0.1558","0.0556","","","0.1031","0.1346","","","","","","0.938","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237075","9.2992","0.0004","24.808","0.001","9.8158","0.0005","90","","108.453","0.001","90","","2148.02","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{μ-2-[(pyrimidin-2-yl)aminomethyl]phenolato}- κ^2^<i>N</i>^1^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^1^-bis({2-[(pyrimidin-2- yl-κ<i>N</i>)aminomethyl]phenol}silver(I)) dihydrate","","- C44 H46 Ag2 N12 O6 -","- C44 H46 Ag2 N12 O6 -","- C88 H92 Ag4 N24 O12 -","2","0.5","XU5644","Gao, Shan; Ng, Seik Weng","Bis{μ-2-[(pyrimidin-2-yl)aminomethyl]phenolato}-κ^2^<i>N</i>^1^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^1^-bis({2-[(pyrimidin-2-yl-κ<i>N</i>)aminomethyl]phenol}silver(I)) dihydrate","Acta Crystallographica Section E","2012","68","12","m1538","m1539","10.1107/S1600536812045783","","","0.71073","MoKα","","0.0816","0.0439","","","0.0939","0.133","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237076","7.5987","0.0004","13.7931","0.0007","16.1308","0.001","89.159","0.002","88.236","0.002","82.777","0.001","1676.35","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris{2-[(pyrimidin-2-yl-κ<i>N</i>)aminomethyl]phenol}silver(I) nitrate","","- C33 H33 Ag N10 O6 -","- C33 H33 Ag N10 O6 -","- C66 H66 Ag2 N20 O12 -","2","1","XU5645","Gao, Shan; Ng, Seik Weng","Tris{2-[(pyrimidin-2-yl-κ<i>N</i>)aminomethyl]phenol}silver(I) nitrate","Acta Crystallographica Section E","2012","68","12","m1543","","10.1107/S1600536812046119","","","0.71073","MoKα","","0.1511","0.0619","","","0.1157","0.1771","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237077","7.2913","0.001","8.3395","0.001","13.1415","0.0017","92.934","0.004","95.008","0.004","111.36","0.003","738.38","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-(<i>E</i>)-<i>N</i>-(pyridin-3-ylmethylidene)hydroxyamine]- κ^2^<i>N</i>^1^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^1^-bis{[(<i>E</i>)- <i>N</i>-(pyridin-3-ylmethylidene-κ<i>N</i>)hydroxyamine]silver(I)} dinitrate","","- C24 H24 Ag2 N10 O10 -","- C24 H24 Ag2 N10 O10 -","- C24 H24 Ag2 N10 O10 -","1","0.5","XU5646","Gao, Shan; Ng, Seik Weng","Bis[μ-(<i>E</i>)-<i>N</i>-(pyridin-3-ylmethylidene)hydroxyamine]-κ^2^<i>N</i>^1^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^1^-bis{[(<i>E</i>)-<i>N</i>-(pyridin-3-ylmethylidene-κ<i>N</i>)hydroxyamine]silver(I)} dinitrate","Acta Crystallographica Section E","2012","68","12","m1547","","10.1107/S1600536812045898","","","0.71073","MoKα","","0.046","0.0396","","","0.0946","0.1072","","","","","","1.112","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237078","18.027","0.003","4.6907","0.0006","17.702","0.0019","90","","90","","90","","1496.9","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis[(<i>E</i>)-<i>N</i>-(pyridin-4- ylmethylidene-κ<i>N</i>)hydroxyamine]silver(I)","","- C12 H12 Ag N5 O5 -","- C12 H12 Ag N5 O5 -","- C48 H48 Ag4 N20 O20 -","4","0.5","XU5647","Gao, Shan; Ng, Seik Weng","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis[(<i>E</i>)-<i>N</i>-(pyridin-4-ylmethylidene-κ<i>N</i>)hydroxyamine]silver(I)","Acta Crystallographica Section E","2012","68","12","m1542","","10.1107/S1600536812046107","","","0.71073","MoKα","","0.0853","0.0499","","","0.12","0.1621","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237079","13.1628","0.0018","10.9926","0.0018","16.315","0.002","90","","110.412","0.004","90","","2212.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~3~-(<i>E</i>)-<i>N</i>-(pyridin-4-ylmethylidene)hydroxylaminato- κ^3^<i>O</i>:<i>N</i>:<i>N</i>'][μ~2~-(<i>E</i>)-<i>N</i>-(pyridin-4- ylmethylidene)hydroxylamine-κ^2^<i>N</i>:<i>N</i>'][(<i>E</i>)-<i>N</i>- (pyridin-4-ylmethylidene-κ<i>N</i>)hydroxylamine]disilver(I)] nitrate]","","- C18 H17 Ag2 N7 O6 -","- C18 H17 Ag2 N7 O6 -","- C72 H68 Ag8 N28 O24 -","4","1","XU5648","Gao, Shan; Ng, Seik Weng","Poly[[[μ~3~-(<i>E</i>)-<i>N</i>-(pyridin-4-ylmethylidene)hydroxylaminato-κ^3^<i>O</i>:<i>N</i>:<i>N</i>'][μ~2~-(<i>E</i>)-<i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine-κ^2^<i>N</i>:<i>N</i>'][(<i>E</i>)-<i>N</i>-(pyridin-4-ylmethylidene-κ<i>N</i>)hydroxylamine]disilver(I)] nitrate]","Acta Crystallographica Section E","2012","68","12","m1540","m1541","10.1107/S1600536812046090","","","0.71073","MoKα","","0.067","0.0417","","","0.1023","0.1193","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237080","17.979","0.004","10.5319","0.0018","7.4496","0.0016","90","","108.403","0.017","90","","1338.5","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido]","","- C12 H12 Br2 Cd N2 -","- C12 H12 Br2 Cd N2 -","- C48 H48 Br8 Cd4 N8 -","4","0.5","XU5649","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali","<i>catena</i>-Poly[[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido]","Acta Crystallographica Section E","2012","68","12","m1493","m1494","10.1107/S1600536812046636","","","0.71073","MoKα","","0.1191","0.0793","","","0.1449","0.1549","","","","","","1.236","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237081","8.6103","0.0006","15.1325","0.0008","15.4263","0.001","90","","98.347","0.005","90","","1988.7","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4,4'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethylformamide- κ<i>O</i>)diiodidocadmium","","- C15 H19 Cd I2 N3 O -","- C15 H19 Cd I2 N3 O -","- C60 H76 Cd4 I8 N12 O4 -","4","1","XU5650","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali","(4,4'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethylformamide-κ<i>O</i>)diiodidocadmium","Acta Crystallographica Section E","2012","68","12","m1495","","10.1107/S1600536812046648","","","0.71073","MoKα","","0.0662","0.0401","","","0.0777","0.0837","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237082","9.5935","0.0002","10.3084","0.0002","12.6606","0.0003","68.326","0.003","74.999","0.003","66.916","0.002","1060.81","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-methylbenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>; κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aqua(4-methylbenzoato- κ^2^<i>O</i>,<i>O</i>')(nicotinamide-κ<i>N</i>^1^)cadmium]","","- C44 H44 Cd2 N4 O12 -","- C44 H44 Cd2 N4 O12 -","- C44 H44 Cd2 N4 O12 -","1","0.5","XU5651","Dincel, Öznur; Tercan, Barış; Çimen, Efdal; Necefoğlu, Hacali; Hökelek, Tuncer","Bis(μ-4-methylbenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aqua(4-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')(nicotinamide-κ<i>N</i>^1^)cadmium]","Acta Crystallographica Section E","2012","68","12","m1510","m1511","10.1107/S1600536812047046","","","0.71073","MoKα","","0.0199","0.0194","","","0.0475","0.0478","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237083","9.2959","0.0008","9.721","0.0007","10.2448","0.0009","90.388","0.007","94.381","0.007","103.646","0.007","896.72","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","[μ-1,2,3,4-Tetrakis(pyridin-4-yl)butane- κ^2^<i>N</i>^1^:<i>N</i>^4^]bis[trimethyl(thiocyanato-κ<i>N</i>)tin(IV)]","","- C32 H40 N6 S2 Sn2 -","- C32 H40 N6 S2 Sn2 -","- C32 H40 N6 S2 Sn2 -","1","0.5","XU5652","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","[μ-1,2,3,4-Tetrakis(pyridin-4-yl)butane-κ^2^<i>N</i>^1^:<i>N</i>^4^]bis[trimethyl(thiocyanato-κ<i>N</i>)tin(IV)]","Acta Crystallographica Section E","2012","68","12","m1550","","10.1107/S160053681204737X","","","0.71073","MoKα","","0.0383","0.031","","","0.0701","0.0764","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237084","8.0434","0.0004","20.6952","0.001","12.0102","0.0006","90","","95.42","0.005","90","","1990.28","0.17","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethylbis(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)tin(IV)","","- C22 H22 N2 O2 Sn -","- C22 H22 N2 O2 Sn -","- C88 H88 N8 O8 Sn4 -","4","1","XU5653","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Dimethylbis(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)tin(IV)","Acta Crystallographica Section E","2012","68","12","m1551","","10.1107/S1600536812047393","","","0.71073","MoKα","","0.0617","0.0385","","","0.0808","0.0941","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237085","9.908","0.002","10.398","0.002","11.176","0.002","90","","90","","90","","1151.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyanomethanaminium perchlorate","","- C2 H5 Cl N2 O4 -","- C2 H5 Cl N2 O4 -","- C16 H40 Cl8 N16 O32 -","8","1","XU5654","Quan, Jing","Cyanomethanaminium perchlorate","Acta Crystallographica Section E","2012","68","12","o3480","","10.1107/S1600536812047782","","","0.71073","MoKα","","0.0392","0.0344","","","0.0936","0.096","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237086","9.6957","0.0004","20.0969","0.001","18.3718","0.0007","90","","133.962","0.004","90","","2576.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-κ<i>P</i>)palladium(II)]","","- C60 H48 I2 P2 Pd2 -","- C60 H48 I2 P2 Pd2 -","- C120 H96 I4 P4 Pd4 -","2","0.5","YK2076","Brown, Shayne; Crundwell, Guy","Di-μ-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-κ<i>P</i>)palladium(II)]","Acta Crystallographica Section E","2012","68","12","m1526","","10.1107/S1600536812047733","","","0.71073","MoKα","","0.1067","0.0571","","","0.1189","0.1342","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237087","7.5459","0.0006","14.6579","0.0011","18.7078","0.0014","83.866","0.002","86.457","0.002","86.478","0.002","2050.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","μ-Carbonato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>''-bis{[2'-(di- <i>tert</i>-butylphosphanyl)biphenyl-2-yl- κ^2^<i>P</i>,<i>C</i>^1^]palladium(II)} dichloromethane monosolvate","","- C42 H54 Cl2 O3 P2 Pd2 -","- C42 H54 Cl2 O3 P2 Pd2 -","- C84 H108 Cl4 O6 P4 Pd4 -","2","1","YK2080","Muller, Alfred; Holzapfel, Cedric W.","μ-Carbonato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>''-bis{[2'-(di-<i>tert</i>-butylphosphanyl)biphenyl-2-yl-κ^2^<i>P</i>,<i>C</i>^1^]palladium(II)} dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","m1574","m1575","10.1107/S1600536812048702","","","0.71073","MoKα","","0.0257","0.0195","","","","0.0441","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237088","8.1923","0.0017","8.7859","0.0016","9.714","0.002","109.451","0.007","99.54","0.007","96.474","0.007","639.5","0.2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>tert</i>-Butyl 4-(<i>N</i>'-hydroxycarbamimidoyl)piperazine-1-carboxylate","","- C10 H20 N4 O3 -","- C10 H20 N4 O3 -","- C20 H40 N8 O6 -","2","1","ZJ2096","Sreenivasa, S.; Manojkumar, K. E.; Suchetan, P. A.; Mohan, N. R.; Palakshamurthy, B. S.","(<i>E</i>)-<i>tert</i>-Butyl 4-(<i>N</i>'-hydroxycarbamimidoyl)piperazine-1-carboxylate","Acta Crystallographica Section E","2012","68","12","o3347","","10.1107/S1600536812046223","","","0.71073","MoKα","","0.0644","0.0444","","","","0.1298","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237089","6.266","0.001","8.586","0.002","24.868","0.005","90","","92.24","0.03","90","","1336.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-(2-Chloro-1-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one","","- C13 H21 Cl O2 -","- C13 H21 Cl O2 -","- C52 H84 Cl4 O8 -","4","1","ZJ2098","Liu, Shan; Yang, Xiao-Yan; Zhang, Yu-Ling","(<i>E</i>)-4-(2-Chloro-1-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one","Acta Crystallographica Section E","2012","68","12","o3485","","10.1107/S1600536812048544","","","0.71073","MoKα","","0.1032","0.0676","","","0.1584","0.1792","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237090","25.7464","0.001","6.9203","0.0002","16.9735","0.0006","90","","116.045","0.002","90","","2717.11","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 2-(3-chlorobenzamido)benzoate","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C120 H96 Cl8 N8 O24 -","8","1","ZL2515","Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Methyl 2-(3-chlorobenzamido)benzoate","Acta Crystallographica Section E","2012","68","12","o3400","o3401","10.1107/S1600536812046934","","","0.71073","MoKα","","0.0851","0.0467","","","0.121","0.1441","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237091","6.8541","0.0005","35.206","0.004","9.2992","0.0007","90","","99.06","0.007","90","","2216","0.3","180","","180","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1<i>S</i>*,2<i>R</i>*,3<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-5- Tetradecyloxymethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride","","- C23 H38 O5 -","- C23 H38 O5 -","- C92 H152 O20 -","4","1","ZL2516","Kelly, Colin N.; Sulon, Sarah M.; Pham, Lam N.; Xiang, Kang Rui; Sykora, Richard E.; Forbes, David C.","(1<i>S</i>*,2<i>R</i>*,3<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-5-Tetradecyloxymethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride","Acta Crystallographica Section E","2012","68","12","o3374","","10.1107/S1600536812046259","","","0.7107","MoKα","","0.0743","0.0492","","","0.0962","0.1079","","","","","","1.035","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237092","10.9189","0.0004","12.4167","0.0005","21.4545","0.0009","90","","90","","90","","2908.7","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Hexacarbonyl-2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-sulfido- tetrakis(tetrahydrofuran-1κ<i>O</i>)calciumdiiron(II)(<i>Fe</i>—<i>Fe</i>)","","- C22 H32 Ca Fe2 O10 S2 -","- C22 H32 Ca Fe2 O10 S2 -","- C88 H128 Ca4 Fe8 O40 S8 -","4","1","ZL2517","Ogienko, Mikhail A.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","Hexacarbonyl-2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-sulfido-tetrakis(tetrahydrofuran-1κ<i>O</i>)calciumdiiron(II)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2012","68","12","m1559","m1560","10.1107/S1600536812048039","","","0.71073","MoKα","","0.0345","0.0267","","","0.0554","0.0574","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237093","7.4457","0.0001","12.1352","0.0004","36.1109","0.0011","90","","90","","90","","3262.8","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate","","- C31 H23 Cl5 N2 O6 Pd -","- C31 H23 Cl5 N2 O6 Pd -","- C124 H92 Cl20 N8 O24 Pd4 -","4","1","ZQ2184","Tskhovrebov, Alexander; Haukka, Matti","<i>cis</i>-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate","Acta Crystallographica Section E","2012","68","12","m1476","m1477","10.1107/S1600536812045801","","","0.71073","MoKα","","0.06","0.037","","","0.0607","0.0668","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237094","8.1019","0.0004","20.3208","0.0011","12.3647","0.0006","90","","104.371","0.002","90","","1971.99","0.17","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1,2,3,4-tetrahydroquinoline-1-thiocarbonyl) disulfide","","- C20 H20 N2 S4 -","- C20 H20 N2 S4 -","- C80 H80 N8 S16 -","4","1","ZQ2186","Srinivasan, N.; Thirumaran, S.; Selvanayagam, S.","Bis(1,2,3,4-tetrahydroquinoline-1-thiocarbonyl) disulfide","Acta Crystallographica Section E","2012","68","12","o3446","","10.1107/S1600536812047320","","","0.71073","MoKα","","0.0488","0.0377","","","0.0961","0.1042","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237095","6.6807","0.0017","10.4409","0.0017","9.9707","0.0019","90","","90","","90","","695.5","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","3,3-Dinitroazetidinium chloride","","- C3 H6 Cl N3 O4 -","- C3 H6 Cl N3 O4 -","- C12 H24 Cl4 N12 O16 -","4","0.5","ZQ2187","Yan, Biao; Li, Hong-Ya; Zhao, Ning-Ning; Li, Jie; Ma, Hai-Xia","3,3-Dinitroazetidinium chloride","Acta Crystallographica Section E","2012","68","12","o3376","","10.1107/S1600536812046302","","","0.71073","MoKα","","0.0212","0.021","","","0.0547","0.0549","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237096","12.1491","0.001","14.0203","0.0013","14.4334","0.0013","72.764","0.002","78.362","0.002","75.545","0.002","2252","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis{tris[4-(trifluoromethyl)phenyl]phosphane- κ<i>P</i>}palladium(II) dichloromethane monosolvate","","- C43 H26 Cl4 F18 P2 Pd -","- C43 H26 Cl4 F18 P2 Pd -","- C86 H52 Cl8 F36 P4 Pd2 -","2","1","ZQ2189","Davis, Wade L.; Muller, Alfred","<i>trans</i>-Dichloridobis{tris[4-(trifluoromethyl)phenyl]phosphane-κ<i>P</i>}palladium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","m1508","m1509","10.1107/S1600536812046971","","","0.71073","MoKα","","0.0405","0.0319","","","0.0718","0.0767","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237097","9.4823","0.0008","11.4272","0.0009","12.343","0.001","80.652","0.002","76.592","0.002","89.013","0.002","1283.42","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis({8-[bis(naphthalen-1-yl)phosphanyl]naphthalen-1-yl- κ^2^<i>C</i>^1^,<i>P</i>}palladium(II)) dichloromethane disolvate","","- C62 H44 Cl6 P2 Pd2 -","- C62 H44 Cl6 P2 Pd2 -","- C62 H44 Cl6 P2 Pd2 -","1","0.5","ZQ2190","Davis, Wade L.; Muller, Alfred","Di-μ-chlorido-bis({8-[bis(naphthalen-1-yl)phosphanyl]naphthalen-1-yl-κ^2^<i>C</i>^1^,<i>P</i>}palladium(II)) dichloromethane disolvate","Acta Crystallographica Section E","2012","68","12","m1565","m1566","10.1107/S1600536812048222","","","0.71073","MoKα","","0.0597","0.0524","","","0.1468","0.154","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237098","8.1819","0.0009","10.4285","0.0018","9.2965","0.0009","90","","99.962","0.008","90","","781.26","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-2-benzofuran-1(3<i>H</i>)-one","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","ZS2239","Paixão, Drielly A.; Guilardi, Silvana; Pereira, Jorge L.; Teixeira, Róbson R.; Arantes, Júnior F.","5-Methoxy-2-benzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","12","o3288","","10.1107/S1600536812044789","","","0.71073","MoKα","","0.0726","0.0494","","","","0.1469","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237099","7.4489","0.0004","11.106","0.0006","14.7935","0.0007","93.559","0.004","99.813","0.004","107.789","0.005","1139.74","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(1,3-Thiazol-2-yl)-<i>N</i>'-[(thiophen-2-yl)carbonyl]thiourea hemihydrate","","- C9 H8 N3 O1.5 S3 -","- C9 H8 N3 O1.5 S3 -","- C36 H32 N12 O6 S12 -","4","2","ZS2240","Singh, Durga Prasad; Pratap, Seema; Yildirim, Sema Öztürk; Butcher, Ray J.","<i>N</i>-(1,3-Thiazol-2-yl)-<i>N</i>'-[(thiophen-2-yl)carbonyl]thiourea hemihydrate","Acta Crystallographica Section E","2012","68","12","o3295","","10.1107/S160053681204500X","","","1.54184","CuKα","","0.0468","0.0392","","","0.103","0.1102","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237100","9.2352","0.0005","9.9907","0.0005","14.0805","0.0007","109.119","0.003","96.342","0.003","107.224","0.003","1141.05","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis(2-anilino-2-oxoethyl)-1<i>H</i>-imidazol-3-ium chloride dimethylformamide monosolvate","","- C22 H26 Cl N5 O3 -","- C22 H26 Cl N5 O3 -","- C44 H52 Cl2 N10 O6 -","2","1","ZS2241","Lee, Hon Man; Zeng, Jing-Yao","1,3-Bis(2-anilino-2-oxoethyl)-1<i>H</i>-imidazol-3-ium chloride dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","12","o3286","","10.1107/S1600536812045059","","","0.71073","MoKα","","0.0403","0.0334","","","0.0867","0.0906","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237101","7.7944","0.0002","8.5884","0.0004","14.7877","0.0004","90","","107.838","0.001","90","","942.32","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5-dibromo-2,4-dimethoxybenzene","1,5-Dibromo-2,4-dimethoxybenzene","","- C8 H8 Br2 O2 -","- C8 H8 Br2 O2 -","- C32 H32 Br8 O8 -","4","1","ZS2243","Vijesh, A. M.; Isloor, Arun M.; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","1,5-Dibromo-2,4-dimethoxybenzene","Acta Crystallographica Section E","2012","68","12","o3479","","10.1107/S1600536812047848","","","0.71073","MoKα","","0.0263","0.0214","","","0.0472","0.0489","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237102","4.371","0.001","10.535","0.004","15.193","0.002","85.218","0.003","83.688","0.002","81.893","0.001","686.8","0.3","298","","298","","","","","","","","","3","P -1","-P 1","2","4-hydroxycoumarin 4-methoxybenzoate ester","2-Oxo-2<i>H</i>-chromen-4-yl 4-methoxybenzoate","","- C17 H12 O5 -","- C17 H12 O5 -","- C34 H24 O10 -","2","1","ZS2245","Abou, Akoun; Djandé, Abdoulaye; Danger, Grégoire; Saba, Adama; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-4-yl 4-methoxybenzoate","Acta Crystallographica Section E","2012","68","12","o3438","o3439","10.1107/S1600536812047666","","","0.71073","MoKα","","0.1347","0.0658","","","0.1304","0.1629","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2300365","4.989","0.0003","4.989","0.0003","5.6527","0.0003","90","","90","","120","","121.847","0.012","298","2","298","2","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0091","0.0088","","","0.0211","0.0211","","","","","","1.153","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300366","4.983","0.0001","4.983","0.0001","5.6339","0.0002","90","","90","","120","","121.149","0.006","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- Ge0.97 O2 Si0.03 -","- Ge0.97 O2 Si0.03 -","- Ge2.91 O6 Si0.09 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0148","0.0147","","","0.038","0.038","","","","","","1.181","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300367","4.9805","0.0002","4.9805","0.0002","5.627","0.0003","90","","90","","120","","120.88","0.009","298","2","298","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ge0.96 O2 Si0.04 -","- Ge0.96 O2 Si0.04 -","- Ge2.88 O6 Si0.12 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0099","0.0099","","","0.0241","0.0241","","","","","","1.199","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300368","4.97517","0.00017","4.97517","0.00017","5.60565","0.00019","90","","90","","120","","120.163","0.007","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- Ge0.9 O2 Si0.1 -","- Ge0.9 O2 Si0.1 -","- Ge2.7 O6 Si0.3 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0143","0.013","","","0.0297","0.0299","","","","","","1.194","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2300369","4.9707","0.0003","4.9707","0.0003","5.5873","0.0003","90","","90","","120","","119.555","0.012","298","2","298","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ge0.83 O2 Si0.17 -","- Ge0.83 O2 Si0.17 -","- Ge2.49 O6 Si0.51 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0101","0.01","","","0.0236","0.0236","","","","","","1.22","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300370","4.91636","0.00019","4.91636","0.00018","5.4084","0.0002","90","","90","","120","","113.211","0.007","298","2","298","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0132","0.0131","","","0.0401","0.0402","","","","","","1.253","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300371","5.0784","0.0003","13.9046","0.001","14.6992","0.001","90","","90","","90","","1037.96","0.12","2","0.1","2","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cytidine","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","HE5538","Coome, J. A.; Goeta, A. E.; Howard, J. A. K.; Probert, M. R.","<i>Masquerade</i>: removing non-sample scattering from integrated reflection intensities","Journal of Applied Crystallography","2012","45","2","292","298","10.1107/S0021889812000702","","","0.71073","MoKα","","0.0721","0.0457","","","0.0822","0.0896","","","","","","1.029","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300372","15.4307","0.0009","10.2659","0.0005","16.4124","0.0009","90","","90","","90","","2599.9","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","RG5013","Rajasekar, M.; Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, S. P.","Synthesis, structure, growth and characterization of an organic crystal: 1,5-diphenylpenta-2,4-dien-1-one","Journal of Applied Crystallography","2012","45","5","914","920","10.1107/S0021889812030403","","","0.71073","MoKα","","0.0632","0.0403","","","0.1129","0.1295","","","","","","1.069","","","","has coordinates,has Fobs","201980","2020-10-21","18:00:00",""
"2300373","7.44247","0.00011","7.445","0.0001","26.1168","0.0003","90","","125.043","0.0007","90","","1184.78","0.03","80","","","","","","","","","","","3","I 1 2 1","I 2y","5","Sulfuric_acid_octahydrate","","","- H18 O12 S -","- O12 S -","- O48 S4 -","4","1","DB5104","Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S.","Structure and thermal expansion of sulfuric acid octahydrate","Journal of Applied Crystallography","2012","45","6","1198","1207","10.1107/S0021889812037752","powder diffraction","","0.989536","synchrotron","","","","","","","","","7.462","9.113","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300374","35.9422","0.0005","12.91819","0.00012","4.99532","0.00003","90","","90","","90","","2319.37","0.04","298","","298","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N4 O3 -","- C25 H30 N4 O3 -","- C100 H120 N16 O12 -","4","1","DB5105","Bushmarinov, Ivan S.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu.","Rietveld refinement and structure verification using `Morse' restraints","Journal of Applied Crystallography","2012","45","6","1187","1197","10.1107/S0021889812044147","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0134","3.818","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2310002","5.087","0.002","11.773","0.003","5.46","0.002","90","","111.99","0.015","90","","303.21","0.18","","","23","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","α-Glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.014","0.012","","","","0.015","","","","","","1.177","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310003","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.025","0.018","","","","0.02","","","","","","1.172","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310004","10.7621","0.001","9.1771","0.0009","4.7883","0.0005","90","","106.76","0.02","90","","452.83","0.09","","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.033","0.021","","","","0.022","","","","","","1.13","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310005","10.7355","0.0009","9.1456","0.0007","4.8304","0.0004","90","","106.46","0.01","90","","454.82","0.07","","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.034","0.021","","","","0.024","","","","","","1.282","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310006","10.0511","0.0045","4.9629","0.0017","19.5625","0.0154","90","","96.772","0.024","90","","969","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-carboxy-4-methylanilinium chloride monohydride","","- C8 H12 Cl N O3 -","- C8 H12 Cl N O3 -","- C32 H48 Cl4 N4 O12 -","4","1","PC5010","Dadda, Noureddine; Nassour, Ayoub; Guillot, Beno\?ît; Benali-Cherif, Nourredine; Jelsch, Christian","Charge-density analysis and electrostatic properties of 2-carboxy-4-methylanilinium chloride monohydrate obtained using a multipolar and a spherical-charges model","Acta Crystallographica Section A","2012","68","4","452","463","10.1107/S0108767312016571","","","0.71073","MoKα","","0.0391","0.0348","","","0.1396","0.1458","","","","","","1.239","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2310007","9.1735","0.0001","11.4736","0.0002","5.4171","0.0001","90","","90","","90","","570.166","0.016","100","","100","","","","","","","","Sigma Aldrich","4","P 21 21 21","P 2ac 2ab","19","","L-Homoserine","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","WL5156","Dittrich, B.; Sze, E.; Holstein, J. J.; Hübschle, C. B.; Jayatilaka, D.","Crystal-field effects in <small>L</small>-homoserine: multipoles <i>versus</i> quantum chemistry","Acta Crystallographica Section A","2012","68","4","435","442","10.1107/S0108767312013001","","","0.7107","MoKα","","0.0328","0.0239","","","","0.0156","","","","","","1.8986","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310008","12.7158","0.0003","21.352","0.0005","5.1745","0.0002","90","","90","","90","","1404.92","0.07","10","5","10","5","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H16 Cu Mn N2 O11 -","- C7 H16 Cu Mn N2 O11 -","- C28 H64 Cu4 Mn4 N8 O44 -","4","0.5","WL5162","Deutsch, Maxime; Claiser, Nicolas; Pillet, Sébastien; Chumakov, Yurii; Becker, Pierre; Gillet, Jean-Michel; Gillon, Béatrice; Lecomte, Claude; Souhassou, Mohamed","Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data","Acta Crystallographica Section A","2012","68","6","675","686","10.1107/S0108767312031996","","","0.71073","MoKα","","0.0366","0.029","","","0.0599","0.0615","","","","","","0.958","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310029","12.4596","0.0006","12.4596","0.0006","7.9042","0.0006","90","","90","","90","","1227.06","0.13","295","","295","","","","","","","","","5","X4bm","","","","","","- Ba0.721 Ca0.251 Ce0.024 Nb2 O6 -","","","10","","CK5044","Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred","Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28)","Acta Crystallographica Section B","2012","68","2","101","106","10.1107/S0108768111054863","","","0.71073","MoKα","","0.0384","0.0309","","","0.037","0.0393","","","","","","1.38","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310030","12.4529","0.0004","12.4529","0.0004","7.9242","0.0006","90","","90","","90","","1228.84","0.11","295","","295","","","","","","","","","4","X4bm","","","","","","- Ba0.72 Ca0.279 Nb2 O6 -","","","10","","CK5044","Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred","Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28)","Acta Crystallographica Section B","2012","68","2","101","106","10.1107/S0108768111054863","","","0.71073","MoKα","","0.0306","0.0276","","","0.0403","0.0414","","","","","","1.65","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310031","19.66","0.04","3.2487","0.0005","1.6065","0.0012","90","","105.9","0.1","90","","98.7","0.2","293","","293","","","","","","","","","3","C2/m(\a0\g)00","","","","","","- Ga0.889 O4.222 Zn2.889 -","- Ga1.93776 O8 Zn6.2972 -","- Ga1.93776 O8 Zn6.2972 -","1","","DK5003","Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao","Structure of (Ga~2~O~3~)~2~(ZnO)~13~ and a unified description of the homologous series (Ga~2~O~3~)~2~(ZnO)~2~~<i>n~+1</i>","Acta Crystallographica Section B","2012","68","3","250","260","10.1107/S0108768112016084","","x-ray","0.71069","","","0.113","0.0656","","0.2022","0.1421","","","","2.98","2.72","2.72","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310032","10.44365","0.000011","10.44365","0.000011","6.343562","0.000008","90","","90","","120","","599.195","0.0012","70","","70","","","","","","","","","3","R-3(00\g)0","","","","","","- Ca Mn7 O12 -","- Ca Mn7 O12 -","- Ca3 Mn21 O36 -","3","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","","0.39996","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310033","10.443658","0.00001","10.443658","0.00001","6.343562","0.000007","90","","90","","120","","599.196","0.001","70","","70","","","","","","","","","3","R3(00\g)t","","","","","","- Ca Mn7 O12 -","- Ca Mn7 O12 -","- Ca3 Mn21 O36 -","3","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","","0.39996","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310034","10.4372","0.0011","10.4372","0.0011","6.3414","0.0009","90","","90","","120","","598.25","0.12","60","","60","","","","","","","","","3","R31(00\g)ts","","","","","","- Ca Mn7 O12 -","","","6","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","neutron","2.41835","","","","","","","","","","","","","","","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2310035","10.4312","0.0013","10.4312","0.0013","6.3417","0.0009","90","","90","","120","","597.59","0.14","60","","60","","","","","","","","","4","R31(00\g)ts","","","","","","- Ca Cu0.113 Mn6.887 O12 -","","","6","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","neutron","2.41835","","","","","","","","","","","","","","","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2310036","10.4452","0.0002","10.4452","0.0002","6.3453","0.0002","90","","90","","120","","599.54","0.02","60","","60","","","","","","","","","3","R31(00\g)ts","","","","","","- Ca Mn7 O12 -","","","6","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","neutron","1.59493","neutron","","","","","","","","","","","","","","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2310037","10.403","0.002","10.403","0.002","6.334","0.0014","90","","90","","120","","593.6","0.2","60","","60","","","","","","","","","4","R31(00\g)ts","","","","","","- Ca Cu0.246 Mn6.754 O12 -","","","6","","PZ5097","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.","Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping","Acta Crystallographica Section B","2012","68","3","240","249","10.1107/S0108768112008038","powder diffraction","neutron","2.41835","","","","","","","","","","","","","","","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2310038","3.5905","","5.4903","","3.4954","","90","","81.8989","","90","","68.217","","293","","293","","","","","","","","","4","X2/m(\a0\g)0s","","","","","","- Bi14 Fe12 O61 Sr21 -","","","8","","BP5040","Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav","Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds","Acta Crystallographica Section B","2012","68","4","341","355","10.1107/S0108768112018095","","x-ray","0.71069","","","0.1447","0.086","","","0.0998","0.1042","","","","3.3","3.3","2.6","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310039","5.66785","0.00003","5.64098","0.00003","5.45603","0.00003","90","","89.6677","0.0003","90","","174.439","0.0016","295","","","","","","","","","","","3","F2(\a0\g)0","","","","","","- Bi0.737 Mo0.263 O1.895 -","","","4","","SN5110","Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.","Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)","Acta Crystallographica Section B","2012","68","4","323","340","10.1107/S0108768112017478","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310040","5.70284","0.00002","5.64841","0.00002","5.46579","0.00002","90","","89.5999","0.0002","90","","176.06","0.0011","295","","","","","","","","","","","3","F2/m(\a0\g)0s","","","","","","- Bi0.75 Mo0.25 O1.875 -","","","4","","SN5110","Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.","Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)","Acta Crystallographica Section B","2012","68","4","323","340","10.1107/S0108768112017478","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310041","5.76634","0.00001","5.64745","0.00001","5.46529","0.00001","90","","89.7935","0.0001","90","","177.977","0.0005","295","","","","","","","","","","","3","F2(\a0\g)0","","","","","","- Bi0.769 Mo0.231 O1.846 -","","","4","","SN5110","Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.","Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)","Acta Crystallographica Section B","2012","68","4","323","340","10.1107/S0108768112017478","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310042","5.64477","0.00007","5.63038","0.00006","5.4499","0.00006","90","","89.7498","0.0006","90","","173.208","0.003","295","","","","","","","","","","","3","F2/m(\a0\g)0s","","","","","","- Bi0.727 Mo0.273 O1.909 -","","","4","","SN5110","Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.","Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)","Acta Crystallographica Section B","2012","68","4","323","340","10.1107/S0108768112017478","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310043","3.6174","","5.48","","3.4641","","90","","81.2438","","90","","67.87","","293","","293","","","","","","","","","4","X2/m(\a0\g)0s","","","","","","- Bi12 Fe10 O52 Sr18 -","","","8","","BP5040","Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav","Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds","Acta Crystallographica Section B","2012","68","4","341","355","10.1107/S0108768112018095","","x-ray","0.71069","","","0.0964","0.0964","","","0.1208","0.1208","","","","3","3","3","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310050","4.3037","0.0005","4.3037","0.0005","5.6452","0.0006","90","","90","","120","","90.551","0.018","545","","545","","","","","","","","","4","R-3m(00\g)00","","","","","","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.102 In0.111 Sb2.292 Te0.495 -","3","","DK5006","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi","Structural transformation of Sb-based high-speed phase-change material","Acta Crystallographica Section B","2012","68","6","559","570","10.1107/S0108768112039961","powder diffraction","","0.41873","","","0.0133","0.0133","","0.0198","0.0198","","","","0.98","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310057","4.3181","","4.3181","","5.7267","","90","","90","","120","","92.474","","773","","773","","","","","","","","","2","R-3m(00\g)00","","","","","","- Sb0.87 Te0.13 -","- Sb0.87 Te0.13 -","- Sb2.61 Te0.39 -","3","","DK5006","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi","Structural transformation of Sb-based high-speed phase-change material","Acta Crystallographica Section B","2012","68","6","559","570","10.1107/S0108768112039961","powder diffraction","","0.41853","X-ray","","0.0301","0.0293","","","0.0176","0.0178","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310058","4.29686","0.00013","4.29686","0.00013","5.6759","0.00019","90","","90","","120","","90.754","0.005","293","","293","","","","","","","","","2","R-3m(00\g)00","","","","","","- Sb0.89 Te0.11 -","- Sb0.887 Te0.113 -","- Sb2.661 Te0.339 -","3","","DK5006","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi","Structural transformation of Sb-based high-speed phase-change material","Acta Crystallographica Section B","2012","68","6","559","570","10.1107/S0108768112039961","powder diffraction","","0.41873","","","0.0162","0.0162","","0.0159","0.0159","","","","1","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2311109","8.8852","0.0003","9.7465","0.0003","11.157","0.0003","109.427","0.003","99.019","0.003","106.199","0.003","841.13","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]- di-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''; κ^3^<i>O</i>:<i>O</i>',<i>O</i>''-[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lead(II)]-bis(μ-2,2,2-trichloroacetato- κ^2^<i>O</i>:<i>O</i>')]","","- C14 H8 Cl3 N3 O5 Pb -","- C14 H8 Cl3 N3 O5 Pb -","- C28 H16 Cl6 N6 O10 Pb2 -","2","1","HG5168","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","catena-Poly[[(1,10-phenanthroline-κN,N')lead(II)]-di-μ-nitrato-κO,O':O'';κO:O',O''-[(1,10-phenanthroline-κN,N')lead(II)]-bis-(μ-2,2,2-trichloro-acetato-κO:O')].","Acta crystallographica. Section E, Structure reports online","2012","68","Pt 3","m237","8","10.1107/S1600536812003595","","","0.71073","MoKα","","0.0182","0.017","","","0.0375","0.038","","","","","","0.991","","","","has coordinates","280578","2023-01-25","08:34:37",""
"2311110","16.4041","0.0009","12.7834","0.0006","21.9468","0.0011","90","","107.865","0.003","90","","4380.3","0.4","156","2","156","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Chloridobis(4-methylpyridine-κ<i>N</i>)(4,4',4''-tri-<i>tert</i>- butyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) hexafluoridophosphate acetone monosolvate","","- C42 H55 Cl F6 N5 O P Ru -","- C42 H55 Cl F6 N5 O P Ru -","- C168 H220 Cl4 F24 N20 O4 P4 Ru4 -","4","1","HG5162","Redford, Christopher; Gimbert-Suriñach, Carolina; Bhadbhade, Mohan; Colbran, Stephen B.","trans-Chloridobis(4-methyl-pyridine-κN)(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine-κN,N',N'')ruthenium(II) hexa-fluoridophosphate acetone monosolvate.","Acta crystallographica. Section E, Structure reports online","2012","68","Pt 3","m300","","10.1107/S1600536812005594","","","0.71073","MoKα","","0.1446","0.0587","","","0.1245","0.1711","","","","","","0.85","","","","has coordinates,has disorder","245582","2020-10-21","18:00:00",""
"2311111","28.0892","0.0005","6.9555","0.0001","20.0908","0.0004","90","","122.678","0.001","90","","3303.94","0.11","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-3-(1-Benzofuran-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","1","HG5136","Penthala, Narsimha Reddy; Parkin, Sean; Crooks, Peter A.","(Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylonitrile.","Acta crystallographica. Section E, Structure reports online","2012","68","Pt 3","o731","","10.1107/S1600536812005831","","","0.71073","MoKα","","0.1203","0.0642","","","0.1548","0.1858","","","","","","1.015","","","","has coordinates","245583","2020-10-21","18:00:00",""
"2311112","7.4013","0.0015","10.504","0.002","13.681","0.003","90","","100.465","0.004","90","","1045.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>R</i>*,2<i>S</i>*)-2-Nitro-1-(4-nitrophenyl)propanol","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C36 H40 N8 O20 -","4","1","HG5165","Zhang, Xu; Yang, Le; Zhang, Jun-Na; He, Wei","(1R*,2S*)-2-Nitro-1-(4-nitro-phen-yl)propanol.","Acta crystallographica. Section E, Structure reports online","2012","68","Pt 3","o881","","10.1107/S1600536812007775","","","0.71073","MoKα","","0.0556","0.0448","","","0.1131","0.1188","","","","","","1.049","","","","has coordinates","245584","2020-10-21","18:00:00",""
"2311113","11.542","0.002","10.304","0.002","13.86","0.003","90","","109.16","0.03","90","","1557","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>'-(2-hydroxy-5-methylphenyl)oxamide","<i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>'-(2-hydroxy-5- methylphenyl)ethanediamide","","- C14 H21 N3 O3 -","- C14 H21 N3 O3 -","- C56 H84 N12 O12 -","4","1","BT5821","Zheng, Yong-Jun; Zheng, Kang; Wu, Zhi-Yong; Li, Yantuan","N-[3-(Dimethyl-amino)-prop-yl]-N'-(2-hy-droxy-5-methyl-phen-yl)oxamide.","Acta crystallographica. Section E, Structure reports online","2012","68","Pt 3","o895","","10.1107/S1600536812007957","","","0.71073","MoKα","","0.0779","0.0527","","","0.1336","0.1508","","","","","","1.024","","","","has coordinates","245585","2020-10-21","18:00:00",""
"2311114","9.725","0.0011","11.3956","0.0013","19.296","0.002","90","","103.109","0.002","90","","2082.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-1<i>H</i>-benzimidazole-5,6- dicarboxylato-κ^2^<i>N</i>^3^:<i>O</i>^6^] sesquihydrate}","","- C21 H19 Co N4 O7.5 -","- C21 H19 Co N4 O7.5 -","- C84 H76 Co4 N16 O30 -","4","1","ZQ2183","Xu, Dong-Bo; Fang, Yu; Jiang, De-Li; Zhu, Yu; Chen, Min","catena-Poly[[[diaqua-(1,10-phenanthroline-κ(2) N,N')cobalt(II)]-μ-1H-benzimidazole-5,6-dicarboxyl-ato-κ(2) N (3):O (6)] sesquihydrate}.","Acta crystallographica. Section E, Structure reports online","2012","68","Pt 12","m1440","1","10.1107/S1600536812043760","","","0.71073","MoKα","","0.0517","0.036","","","0.0823","0.0895","","","","","","1.048","","","","has coordinates","245586","2020-10-21","18:00:00",""
"2311621","11.43","0.003","11.464","0.004","35.606","0.009","84.421","0.004","87.694","0.004","60.102","0.002","4025","2","123","2","123","2","","","","","","","","4","P 1","P 1","1","","(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C176 H192 N32 O32 -","16","16","","Görbitz, Carl Henrik; Törnroos, Karl Wilhelm; Day, Graeme M.","Single-crystal investigation of L-tryptophan with Z' = 16.","Acta crystallographica. Section B, Structural science","2012","68","Pt 5","549","557","10.1107/S0108768112033484","","","0.71073","MoKα","","0.1","0.0879","","","0.2564","0.2632","","","","","","1.151","","","","has coordinates","246035","2020-10-21","18:00:00",""
"3000002","8.5931","0.0004","9.0396","0.0004","10.9308","0.0005","109.292","0.001","107.638","0.001","101.821","0.001","718.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 Cd N12 O10 -","- C22 H32 Cd N12 O10 -","- C22 H32 Cd N12 O10 -","1","0.5","","Carmen R. Maldonado; Miguel Quiros; Juan M. Salas","H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition","Dalton Transactions","2012","","","10390","10395","10.1039/c2dt30992k","","","0.71073","MoKα","","0.0232","0.0231","","","0.0591","0.0592","","","","","","1.068","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"3000003","8.4223","0.0006","10.1249","0.0007","11.7854","0.0008","100.942","0.001","99.816","0.001","94.821","0.001","965.22","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cd N14 O8 S2 -","- C32 H36 Cd N14 O8 S2 -","- C32 H36 Cd N14 O8 S2 -","1","0.5","","Carmen R. Maldonado; Miguel Quiros; Juan M. Salas","H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition","Dalton Transactions","2012","","","10390","10395","10.1039/c2dt30992k","","","0.71073","MoKα","","0.032","0.0311","","","0.0821","0.0827","","","","","","1.059","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3000004","8.557","0.0012","9.1663","0.0013","10.95","0.0015","108.647","0.002","108.125","0.002","101.431","0.002","729.94","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 Mn N12 O10 -","- C22 H32 Mn N12 O10 -","- C22 H32 Mn N12 O10 -","1","0.5","","Carmen R. Maldonado; Miguel Quiros; Juan M. Salas","H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition","Dalton Transactions","2012","","","10390","10395","10.1039/c2dt30992k","","","0.71073","MoKα","","0.0419","0.0386","","","0.1033","0.1062","","","","","","1.083","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3000005","8.5542","0.0006","10.5222","0.0007","10.711","0.0007","65.084","0.001","71.622","0.001","67.507","0.001","794.06","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 Mn N12 O10 -","- C24 H36 Mn N12 O10 -","- C24 H36 Mn N12 O10 -","1","0.5","","Carmen R. Maldonado; Miguel Quiros; Juan M. Salas","H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition","Dalton Transactions","2012","","","10390","10395","10.1039/c2dt30992k","","","0.71073","MoKα","","0.0381","0.0357","","","0.0941","0.0958","","","","","","1.074","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3000006","8.4575","0.0007","8.9798","0.0011","10.8612","0.0008","109.345","0.001","107.577","0.001","101.978","0.001","697.24","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 N12 O10 Zn -","- C22 H32 N12 O10 Zn -","- C22 H32 N12 O10 Zn -","1","0.5","","Carmen R. Maldonado; Miguel Quiros; Juan M. Salas","H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition","Dalton Transactions","2012","","","10390","10395","10.1039/c2dt30992k","","","0.71073","MoKα","","0.0309","0.0303","","","0.08","0.0805","","","","","","1.036","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3000007","8.346","0.0008","10.1959","0.001","11.705","0.0011","100.431","0.001","97.247","0.002","94.369","0.001","966.73","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 N14 O8 S2 Zn -","- C32 H36 N14 O8 S2 Zn -","- C32 H36 N14 O8 S2 Zn -","1","0.5","","Carmen R. Maldonado; Miguel Quiros; Juan M. Salas","H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition","Dalton Transactions","2012","","","10390","10395","10.1039/c2dt30992k","","","0.71073","MoKα","","0.0401","0.0368","","","0.0994","0.1017","","","","","","1.051","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"3500009","11.915","0.003","7.247","0.002","9.663","0.002","90","","113.34","0.01","90","","766.1","0.3","4.2","","4.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","decafluorocyclohexene","","- C6 F10 -","- C6 F10 -","- C24 F40 -","4","1","","Armel Le Bail","Data reduction to |Fhkl|","Personal communication to COD","2012","","","","","","","neutron","1.909","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500010","9.6031","0.0005","26.6153","0.0015","9.8157","0.0006","90","","92.812","0.001","90","","2505.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 Cl4 N8 O8.5 Ru -","- C12 H25 Cl4 N8 O8.5 Ru -","- C48 H100 Cl16 N32 O34 Ru4 -","4","1","","Carlos Sánchez; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez","Ru(IV) complex with 5-methyl-7-oxo(4H)-1,2,4-triazolo-[1,5-a]-pyrimidine","Personal communication to COD","2012","","","","","","","","0.71073","MoKα","","0.0966","0.0929","","","0.2232","0.2328","","","","","","1.347","","","","has coordinates,has Fobs","188514","2020-10-21","18:00:00",""
"3500011","12.017","0.003","17.129","0.004","11.657","0.002","90","","118.283","0.014","90","","2113","0.9","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cd Cl2 F4 N12 O6 S2 -","- C30 H40 Cd Cl2 F4 N12 O6 S2 -","- C60 H80 Cd2 Cl4 F8 N24 O12 S4 -","2","0.5","","Alfonso Fernández-Botello; Miguel Quirós; Virtudes Moreno","A Cd(II) polymeric compound with fluconazol","Personal communication to COD","2012","","","","","","","","0.71073","MoKα","","0.0728","0.0545","","0.152","0.1316","","","","1.197","1.197","1.197","","","","","has coordinates","176723","2020-10-21","18:00:00",""
"3500012","15.258","0.003","9.19","0.002","19.901","0.004","90","","128.6","0.03","90","","2180.9","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl2 Cu F4 N12 O8 S2 -","- C30 H22 Cl2 Cu F4 N12 O8 S2 -","- C60 H44 Cl4 Cu2 F8 N24 O16 S4 -","2","0.5","","Alfonso Fernández-Botello; Miguel Quirós; Virtudes Moreno","A Cu(II) polymeric compound with fluconazol","Personal communication to COD","2012","","","","","","","","0.71073","MoKα","","0.2407","0.1248","","0.3248","0.2162","","","","1.23","1.282","1.282","","","","","has coordinates,has disorder","176723","2020-10-21","18:00:00",""
"3500013","13.542","0.002","17.9856","0.0018","15.072","0.003","90","","121.326","0.009","90","","3135.8","0.9","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl F6 N4 O2 P Ru S -","- C22 H24 Cl F6 N4 O2 P Ru S -","- C88 H96 Cl4 F24 N16 O8 P4 Ru4 S4 -","4","1","","Miguel Quirós","[Ru(bpy)2Cl(DMSO)](PF6).H2O","Personal communication to COD","2012","","","","","","","","0.71073","MoKα","","0.1204","0.0699","","","0.1931","0.2229","","","","","","1.145","","","","has coordinates,has Fobs","188514","2020-10-21","18:00:00",""
"3500014","12.886","0.006","8.883","0.0012","5.4423","0.0027","90","","106.905","0.006","90","","596","0.4","295","","295","","","","","","","","synthetic","3","C 1 2/c 1","-C 2yc","15","Calcium dialuminate","tetraaluminium calcium heptaoxide","Grossite","- Al4 Ca O7 -","- Al4 Ca O7 -","- Al16 Ca4 O28 -","4","0.5","","Efremov, V. A.; Gutnikov, S. I.; Kartashov, A. A.; Lazoryak, B.I.","Average grossite crystal structure","Personal communication to COD","2012","","","","","","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180538","2020-10-21","18:00:00",""
"4001613","12.2473","0.0005","25.914","","25.9141","0.0009","90","","90","","90","","8224.5","0.4","173","2","173","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H28 Cu4 O24 -","- C37 H20 Cu4 O24 -","- C148 H80 Cu16 O96 -","4","0.5","","Zhuang, Wenjuan; Yuan, Daqiang; Liu, Dahuan; Zhong, Chongli; Li, Jian-Rong; Zhou, Hong-Cai","Robust Metal‒Organic Framework with An Octatopic Ligand for Gas Adsorption and Separation: Combined Characterization by Experiments and Molecular Simulation","Chemistry of Materials","2012","24","1","18","","10.1021/cm2008889","","","0.71073","MoKα","","0.1198","0.0508","","","0.0964","0.1066","","","","","","0.735","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001614","17.65","0.0014","7.9259","0.0007","21.0834","0.0018","90","","105.958","0.008","90","","2835.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C156 H108 N12 -","4","1","","Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Lo, Ming-Fai; Ng, Tsz-Wai; Chan, Mei-Yee; Wen, Zhi-Chun; He, Jun; Jeff, Kc-Sham; Tang, Xiang-Lin; Liu, Wei-Min; Ko, Chi-Chiu; Wang, Peng-Fei; Lee, Chun-Sing","High Efficiency Nondoped Deep-Blue Organic Light Emitting Devices Based on Imidazole-π-triphenylamine Derivatives","Chemistry of Materials","2012","24","1","61","","10.1021/cm201789u","","","0.71073","MoKα","","0.1025","0.0521","","","0.1309","0.1748","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001615","9.2677","0.0004","10.9653","0.0004","19.0829","0.0007","82.027","0.003","76.142","0.003","81.632","0.003","1851.85","0.13","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H39 N3 -","- C49 H39 N3 -","- C98 H78 N6 -","2","1","","Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Lo, Ming-Fai; Ng, Tsz-Wai; Chan, Mei-Yee; Wen, Zhi-Chun; He, Jun; Jeff, Kc-Sham; Tang, Xiang-Lin; Liu, Wei-Min; Ko, Chi-Chiu; Wang, Peng-Fei; Lee, Chun-Sing","High Efficiency Nondoped Deep-Blue Organic Light Emitting Devices Based on Imidazole-π-triphenylamine Derivatives","Chemistry of Materials","2012","24","1","61","","10.1021/cm201789u","","","0.71073","MoKα","","0.0816","0.0564","","","0.1607","0.1825","","","","","","1.136","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001616","13.166","0.004","7.605","0.002","9.496","0.003","90","","90","","90","","950.8","0.5","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga9 Pd3 Yb1.97 -","- Ga9.002 Pd3 Yb1.9742 -","- Ga36.008 Pd12 Yb7.8968 -","4","0.25","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71073","MoKα","","0.0754","0.0297","","","0.0731","0.0984","","","","","","0.893","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001617","7.608","0.003","7.608","0.003","28.508","0.015","90","","90","","120","","1429","1.1","298","2","298","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","","","","- Ga9 Pd3 Yb2 -","- Ga9 Pd3 Yb2 -","- Ga54 Pd18 Yb12 -","6","0.5","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71069","MoKα","","0.1323","0.0725","","","0.1085","0.1438","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001618","13.186","0.003","7.5987","0.0015","10.476","0.002","90","","114.9","0.009","90","","952.1","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga9 Pd3 Yb2 -","- Ga9 Pd3 Yb2 -","- Ga36 Pd12 Yb8 -","4","0.5","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71073","MoKα","","0.0685","0.0534","","","0.1883","0.197","","","","","","1.349","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001619","39.021","0.008","7.343","0.0015","7.3939","0.0015","90","","90","","90","","2118.6","0.7","373","1","373","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0653","0.0544","","","0.1481","0.1597","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001620","7.2099","0.0009","7.2664","0.0009","38.238","0.005","90","","90","","90","","2003.3","0.4","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","0.5","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0437","0.04","","","0.1106","0.112","","","","","","1.329","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001621","18.5561","0.0004","18.5561","0.0004","21.2628","0.0005","90","","90","","120","","6340.5","0.2","150","2","150","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C73 H57 Br2 Cl9 Cu2 N2 P4 -","- C73 H57 Br2 Cl9 Cu2 N2 P4 -","- C219 H171 Br6 Cl27 Cu6 N6 P12 -","3","0.5","","Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong","Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine","Chemistry of Materials","2012","24","3","480","","10.1021/cm202608f","","","1.54178","CuKα","","0.1139","0.1041","","","0.2175","0.2221","","","","","","1.091","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001622","18.41","0.004","18.41","0.004","21.321","0.002","90","","90","","120","","6258","2","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C37 H29 Cl7 Cu N P2 -","- C37 H29 Cl7 Cu N P2 -","- C222 H174 Cl42 Cu6 N6 P12 -","6","1","","Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong","Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine","Chemistry of Materials","2012","24","3","480","","10.1021/cm202608f","","","1.54178","CuKα","","0.2134","0.1237","","","0.2375","0.2615","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001623","27.6","0.02","5.633","0.004","7.961","0.007","90","","95.498","0.012","90","","1232","1.7","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H8 F3 N O2 -","- C15 H8 F3 N O2 -","- C60 H32 F12 N4 O8 -","4","1","","Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro","Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds","Chemistry of Materials","2012","24","4","671","","10.1021/cm202650u","","","0.71075","MoKα","","","0.0615","","","","0.1543","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001624","8.2084","0.0008","5.7718","0.0006","28.328","0.003","90","","90","","90","","1342.1","0.2","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H8 F5 N O2 S -","- C14 H8 F5 N O2 S -","- C56 H32 F20 N4 O8 S4 -","4","1","","Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro","Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds","Chemistry of Materials","2012","24","4","671","","10.1021/cm202650u","","","0.71075","MoKα","","","0.0786","","","","0.2467","","","","","","1.127","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001625","13.582","0.0004","10.8173","0.0003","14.7037","0.0005","90","","110.628","0.001","90","","2021.78","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co2 N O11 -","- C18 H14 Co2 N O11 -","- C72 H56 Co8 N4 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0344","0.031","","","0.0848","0.0878","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001626","13.5674","0.0005","10.7942","0.0004","14.6837","0.0005","90","","110.638","0.001","90","","2012.42","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co1.66 N Ni0.34 O11 -","- C18 H14 Co1.66 N Ni0.34 O11 -","- C72 H56 Co6.64 N4 Ni1.36 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0276","0.0257","","","0.0759","0.0769","","","","","","1.075","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001627","13.5146","0.0008","10.7692","0.0006","14.6278","0.0008","90","","110.631","0.001","90","","1992.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co1.09 N Ni0.91 O11 -","- C18 H14 Co1.1 N Ni0.9 O11 -","- C72 H56 Co4.4 N4 Ni3.6 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0665","0.0428","","","0.0966","0.1096","","","","","","0.988","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001628","13.5186","0.0006","10.7685","0.0005","14.6323","0.0007","90","","110.63","0.001","90","","1993.51","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co0.25 N Ni1.75 O11 -","- C18 H14 Co0.26 N Ni1.74 O11 -","- C72 H56 Co1.04 N4 Ni6.96 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0459","0.0361","","","0.091","0.0965","","","","","","1.016","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001629","13.5204","0.0007","10.7639","0.0005","14.6348","0.0007","90","","110.532","0.001","90","","1994.54","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N Ni2 O11 -","- C18 H14 N Ni2 O11 -","- C72 H56 N4 Ni8 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.053","0.0394","","","0.1001","0.109","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001630","30.0618","0.0002","17.5261","0.0001","32.1751","0.0002","90","","101.536","0.0003","90","","16609.5","0.18","153.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H86 Cl24 Cr12 O111 Si W12 -","- C48 Cl24 Cr12 O112 Si W12 -","- C192 Cl96 Cr48 O448 Si4 W48 -","4","0.5","","Uchida, Sayaka; Eguchi, Ryo; Nakamura, Shinnosuke; Ogasawara, Yoshiyuki; Kurosawa, Noriyuki; Mizuno, Noritaka","Selective Sorption of Olefins by Halogen-Substituted Macrocation-Polyoxometalate Porous Ionic Crystals","Chemistry of Materials","2012","24","2","325","","10.1021/cm202976e","","","0.71069","MoKα","","","0.0388","","","","0.1351","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001631","30.2018","0.0002","17.6117","0.0001","32.5763","0.0003","90","","102.375","","90","","16924.9","0.2","153.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 Br24 Cr12 O110 Si W12 -","- C48 Br25 Cr12 O104 Si0.5 W12 -","- C192 Br100 Cr48 O416 Si2 W48 -","4","0.5","","Uchida, Sayaka; Eguchi, Ryo; Nakamura, Shinnosuke; Ogasawara, Yoshiyuki; Kurosawa, Noriyuki; Mizuno, Noritaka","Selective Sorption of Olefins by Halogen-Substituted Macrocation-Polyoxometalate Porous Ionic Crystals","Chemistry of Materials","2012","24","2","325","","10.1021/cm202976e","","","0.71069","MoKα","","","0.1255","","","","0.3669","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001632","31.674","0.014","10.142","0.005","24.001","0.01","90","","115.291","0.006","90","","6971","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 Cu2 I2 N4 -","- C34 H27 Cu2 I2 N4 -","- C272 H216 Cu16 I16 N32 -","8","1","","Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng","Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster","Chemistry of Materials","2012","24","5","954","","10.1021/cm2029855","","","0.71073","MoKα","","0.1285","0.0795","","","0.2013","0.2434","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001633","12.717","0.008","15.016","0.009","7.578","0.005","90","","90","","90","","1447.1","1.6","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng","Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster","Chemistry of Materials","2012","24","5","954","","10.1021/cm2029855","","","0.71073","MoKα","","0.1181","0.0462","","","0.1009","0.145","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001634","16.801","0.003","8.3296","0.0017","11.623","0.002","90","","109.92","0.03","90","","1529.3","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Ga3 N5 -","- Ba3 Ga3 N5 -","- Ba24 Ga24 N40 -","8","1","","Hintze, Frauke; Hummel, Franziska; Schmidt, Peter J.; Wiechert, Detlef; Schnick, Wolfgang","Ba3Ga3N5—A Novel Host Lattice for Eu2±Doped Luminescent Materials with Unexpected Nitridogallate Substructure","Chemistry of Materials","2012","24","2","402","","10.1021/cm203323u","","","0.71073","MoKα","","0.0781","0.0523","","","0.1301","0.1458","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001642","4.86","0.03","10.22","0.04","14.8","0.08","74.14","0.15","87.14","0.11","80.75","0.15","698","6","120","","120","","","","","","","","","4","P -1","-P 1","2","Copper Hexadecafluorophthalocyanine","(29F,31F-phthalocyaninato(2-)-N29,N30,N31,N32)copper","","- C32 Cu F16 N8 -","- C32 Cu F16 N8 -","- C32 Cu F16 N8 -","1","0.5","","Pandey, Priyanka A.; Rochford, Luke A.; Keeble, Dean S.; Rourke, Jonathan P.; Jones, Tim S.; Beanland, Richard; Wilson, Neil R.","Resolving the Nanoscale Morphology and Crystallographic Structure of Molecular Thin Films: F16CuPc on Graphene Oxide","Chemistry of Materials","2012","24","7","1365","","10.1021/cm300073v","","","0.6889","Synchrotron","","0.1999","0.1238","","","0.2882","0.367","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001643","15.215","0.003","14.797","0.003","10.103","0.002","90","","101.369","0.004","90","","2229.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N2 O2 S2 -","- C50 H64 N2 O2 S2 -","- C100 H128 N4 O4 S4 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0886","0.0585","","","0.0902","0.0936","","","","","","1.835","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001644","18.2356","0.0012","14.3381","0.001","9.8764","0.0006","90","","96.891","0.005","90","","2563.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H68 N2 O2 S4 -","- C58 H68 N2 O2 S4 -","- C116 H136 N4 O4 S8 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.1028","0.054","","","0.1346","0.1671","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001645","19.4619","0.0018","15.099","0.0013","9.847","0.0007","90","","96.944","0.006","90","","2872.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H72 N2 O2 S6 -","- C66 H72 N2 O2 S6 -","- C132 H144 N4 O4 S12 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.1517","0.0657","","","0.1519","0.1979","","","","","","0.975","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001646","57.201","0.008","10.5227","0.0015","9.1022","0.0012","90","","97.505","0.003","90","","5431.8","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 N2 O2 S4 -","- C62 H42 N2 O2 S4 -","- C248 H168 N8 O8 S16 -","4","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0805","0.063","","","0.1634","0.1749","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001647","13.414","0.002","14.427","0.002","10.0793","0.0015","90","","92.804","0.009","90","","1948.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 N2 O2 S4 -","- C46 H38 N2 O2 S4 -","- C92 H76 N4 O4 S8 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0754","0.0597","","","0.1133","0.1153","","","","","","2.545","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001648","51.207","0.005","4.3452","0.0005","14.3095","0.0015","90","","101.268","0.002","90","","3122.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cs Se1.02 Te4.98 -","- Bi4 Cs Se1.0245 Te4.9755 -","- Bi32 Cs8 Se8.196 Te39.804 -","8","1","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.0722","0.0514","","","0.135","0.1442","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001649","51.525","0.007","4.3632","0.0006","14.447","0.002","90","","101.399","0.002","90","","3183.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3.55 Cs Sb0.45 Te6 -","- Bi3.5475 Cs Sb0.4525 Te6 -","- Bi28.38 Cs8 Sb3.62 Te48 -","8","1","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.0922","0.0534","","","0.1242","0.1372","","","","","","0.955","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001650","63.677","0.011","4.3157","0.0008","14.387","0.003","90","","101.483","0.002","90","","3874.6","1.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cs0.8 Se0.72 Te5.28 -","- Bi4 Cs0.804 Se0.72 Te5.28 -","- Bi40 Cs8.04 Se7.2 Te52.8 -","10","1.25","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.099","0.0659","","","0.1709","0.1851","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001651","24.006","0.012","4.291","0.002","14.258","0.007","90","","90","","90","","1468.7","1.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi3.75 Cs0.75 Se3.3 Te2.7 -","- Bi3.75 Cs0.75 Se3.31 Te2.69 -","- Bi15 Cs3 Se13.24 Te10.76 -","4","0.5","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.118","0.0537","","","0.1195","0.149","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001659","12.475","0.003","8.2371","0.0016","11.536","0.002","90","","113.73","0.03","90","","1085.2","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(η^7^-cycloheptatrienyl)-(η^5^-methylcyclopentadienyl)-zirconium","","- C13 H14 Zr -","- C13 H14 Zr -","- C52 H56 Zr4 -","4","1","","Niinistö, Jaakko; Hatanpää, Timo; Kariniemi, Maarit; Mäntymäki, Miia; Costelle, Leila; Mizohata, Kenichiro; Kukli, Kaupo; Ritala, Mikko; Leskelä, Markku","Cycloheptatrienyl-Cyclopentadienyl Heteroleptic Precursors for Atomic Layer Deposition of Group 4 Oxide Thin Films","Chemistry of Materials","2012","24","11","2002","","10.1021/cm2030735","","","0.71073","MoKα","","0.0284","0.0234","","","0.0894","0.0988","","","","","","0.88","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001660","9.9965","0.0001","18.7645","0.0002","25.06","0.0003","90","","98.076","0.001","90","","4654.12","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cl7 In3 O8 Sn4 -","- C24 H54 Cl7 In3 O8 Sn4 -","- C96 H216 Cl28 In12 O32 Sn16 -","4","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.0364","0.0296","","","0.0551","0.0565","","","","","","1.21","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001661","11.1655","0.0002","20.1365","0.0004","33.784","0.0006","90","","90","","90","","7595.8","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 In N2 O3 Si4 Sn -","- C24 H63 In N2 O3 Si4 Sn -","- C192 H504 In8 N16 O24 Si32 Sn8 -","8","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.1001","0.0608","","","0.0802","0.088","","","","","","1.147","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001662","34.3847","0.0008","12.4962","0.0002","25.0818","0.0005","90","","95.641","0.002","90","","10724.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.94 H66.37 Cl6.51 In3 O8.49 Sn4 -","- C32.944 H66.374 Cl6.514 In3 O8.486 Sn4 -","- C263.552 H530.992 Cl52.112 In24 O67.888 Sn32 -","8","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.0526","0.031","","","0.0489","0.0524","","","","","","0.942","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001663","22.152","0.004","9.7488","0.0014","17.9625","0.0018","90","","97.127","0.011","90","","3849.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 F4 Ir N4 O6 -","- C34 H25 F4 Ir N4 O6 -","- C136 H100 F16 Ir4 N16 O24 -","4","1","","Marín-Suárez, Marta; Curchod, Basile F. E.; Tavernelli, Ivano; Rothlisberger, Ursula; Scopelliti, Rosario; Jung, Il; Di Censo, Davide; Grätzel, Michael; Fernández-Sánchez, Jorge Fernando; Fernández-Gutiérrez, Alberto; Nazeeruddin, Md. Khaja; Baranoff, Etienne","Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing","Chemistry of Materials","2012","24","12","2330","","10.1021/cm300575z","","","0.71073","MoKα","","0.0596","0.0555","","","0.1321","0.1344","","","","","","1.186","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001664","20.248","0.003","12.5782","0.0014","15.3528","0.001","90","","91.222","0.009","90","","3909.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F10 Ir N3 O4 -","- C32 H14 F10 Ir N3 O4 -","- C128 H56 F40 Ir4 N12 O16 -","4","1","","Marín-Suárez, Marta; Curchod, Basile F. E.; Tavernelli, Ivano; Rothlisberger, Ursula; Scopelliti, Rosario; Jung, Il; Di Censo, Davide; Grätzel, Michael; Fernández-Sánchez, Jorge Fernando; Fernández-Gutiérrez, Alberto; Nazeeruddin, Md. Khaja; Baranoff, Etienne","Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing","Chemistry of Materials","2012","24","12","2330","","10.1021/cm300575z","","","0.71073","MoKα","","0.038","0.031","","","0.0687","0.0714","","","","","","1.158","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001665","13.812","0.003","7.9624","0.0016","6.37","0.0013","90","","90","","90","","700.6","0.3","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 S4 Sn -","- Li4 S4 Sn -","- Li16 S16 Sn4 -","4","0.5","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0531","0.0362","","","0.0801","0.0849","","","","","","0.948","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001666","12.7429","0.0004","12.7429","0.0004","12.7429","0.0004","90","","90","","90","","2069.21","0.11","193","2","193","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- H26 Li4 O13 S4 Sn -","- H20.01 Li4 O13 S4 Sn -","- H80.04 Li16 O52 S16 Sn4 -","4","0.333333","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0328","0.0297","","","0.0739","0.0751","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001667","10.849","0.002","23.029","0.005","14.61","0.003","90","","98.46","0.03","90","","3610.5","1.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H52 Li4 O13 S4 Sn -","- C13 H52 Li4 O13 S4 Sn -","- C52 H208 Li16 O52 S16 Sn4 -","4","1","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0479","0.0294","","","0.0579","0.0597","","","","","","0.802","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001668","21.8","0.003","21.8","0.003","35.407","0.007","90","","90","","90","","16827","5","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C42 H24 Fe3 O16 -","- C42 H24 Fe3 O16 -","- C336 H192 Fe24 O128 -","8","1","","Dan-Hardi, Meenakshi; Chevreau, Hubert; Devic, Thomas; Horcajada, Patricia; Maurin, Guillaume; Férey, Gérard; Popov, Dmitry; Riekel, Christian; Wuttke, Stefan; Lavalley, Jean-Claude; Vimont, Alexandre; Boudewijns, Tom; de Vos, Dirk; Serre, Christian","How Interpenetration Ensures Rigidity and Permanent Porosity in a Highly Flexible Hybrid Solid","Chemistry of Materials","2012","24","13","2486","","10.1021/cm300450x","","","0.9613","synchrotron","","0.1172","0.1017","","","0.2495","0.2663","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001669","9.9755","0.0001","9.9755","0.0001","57.2943","0.0009","90","","90","","120","","4937.55","0.1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag3 In2 Mo15 Se19 -","- Ag2.9874 In2 Mo15 Se19 -","- Ag17.9244 In12 Mo90 Se114 -","6","0.166667","","Gougeon, Patrick; Gall, Philippe; Al Rahal Al Orabi, Rabih; Fontaine, Bruno; Gautier, Régis; Potel, Michel; Zhou, Tong; Lenoir, Bertrand; Colin, Malika; Candolfi, Christophe; Dauscher, Anne","Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19","Chemistry of Materials","2012","24","15","2899","","10.1021/cm3009557","","","0.71073","MoKα","","0.0555","0.0293","","","0.0512","0.0562","","","","1.17","1.17","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001670","20.1749","0.0002","20.1749","0.0002","16.3257","0.0003","90","","90","","90","","6644.99","0.15","296","2","296","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C26 H16 N5 O12 Zn3 -","- C26 H12 N5 O12 Zn3 -","- C104 H48 N20 O48 Zn12 -","4","0.25","","Zhai, Quan-Guo; Lin, Qipu; Wu, Tao; Wang, Le; Zheng, Shou-Tian; Bu, Xianhui; Feng, Pingyun","High CO2and H2Uptake in an Anionic Porous Framework with Amino-Decorated Polyhedral Cages","Chemistry of Materials","2012","24","14","2624","","10.1021/cm301322b","","","0.71073","MoKα","","0.0539","0.0468","","","0.1441","0.1489","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001671","9.7508","0.0002","9.7508","0.0002","7.2153","0.0001","90","","90","","120","","594.108","0.019","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge0.77 La9.33 O26 Si5.23 -","- Ge0.768 La9.3302 O26 Si5.232 -","- Ge0.768 La9.3302 O26 Si5.232 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Ishizawa, Nobuo; Mino, Hiroki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Combined Effect of Germanium Doping and Grain Alignment on Oxide-Ion Conductivity of Apatite-Type Lanthanum Silicate Polycrystal","Chemistry of Materials","2012","24","13","2611","","10.1021/cm301484q","","","0.71073","MoKα","","0.0154","0.0121","","","0.0183","0.0189","","","","1.38","1.38","1.35","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001672","13.4677","0.0011","4.7775","0.0003","18.7642","0.0016","90","","94.002","0.005","90","","1204.38","0.16","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H10 F6 N2 O4 S2 -","- C30 H10 F6 N2 O4 S2 -","- C60 H20 F12 N4 O8 S4 -","2","0.5","","Ie, Yutaka; Ueta, Masashi; Nitani, Masashi; Tohnai, Norimitsu; Miyata, Mikiji; Tada, Hirokazu; Aso, Yoshio","Air-Stable n-Type Organic Field-Effect Transistors Based on 4,9-Dihydro-s-indaceno[1,2-b:5,6-b′]dithiazole-4,9-dione Unit","Chemistry of Materials","2012","24","16","3285","","10.1021/cm301985q","","","0.8","","","","0.0784","","","","0.2401","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001673","10.8124","0.0005","11.2603","0.0004","17.2799","0.0007","100.994","0.003","95.756","0.004","116.213","0.004","1811.71","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3pmntb","","","- C42 H42 N10 O3 -","- C42 H42 N10 O3 -","- C84 H84 N20 O6 -","2","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","0.71073","MoKα","","0.0859","0.0459","","","0.0906","0.0988","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001674","15.7186","0.0007","22.9863","0.001","25.617","0.001","81.312","0.004","77.044","0.004","84.599","0.004","8899.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C354 H315 Cl12 Eu4 N89 O48 -","- C354 H281 Cl12 Eu4 N89 O48 -","- C354 H281 Cl12 Eu4 N89 O48 -","1","0.5","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","1.54178","CuKα","","0.1252","0.0694","","","0.1739","0.1879","","","","","","0.999","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001675","14.2437","0.0003","25.8296","0.0007","27.8391","0.0008","90","","97.592","0.002","90","","10152.5","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H89 Ag3 Cl6 Eu N25 O25 -","- C94 H87 Ag3 Cl6 Eu N25 O25 -","- C376 H348 Ag12 Cl24 Eu4 N100 O100 -","4","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","0.71073","MoKα","","0.1365","0.0733","","","0.1734","0.1936","","","","","","1.006","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001676","14.2458","0.0001","25.8856","0.0002","27.836","0.0002","90","","97.447","0.001","90","","10178.2","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H89 Ag3 Cl6 Gd N25 O25 -","- C94 H87 Ag3 Cl6 Gd N25 O25 -","- C376 H348 Ag12 Cl24 Gd4 N100 O100 -","4","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","1.54178","CuKα","","0.08","0.0662","","","0.2016","0.2096","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001677","10.1767","0.0007","4.9787","0.0004","10.2149","0.0007","90","","115.688","0.002","90","","466.4","0.06","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Trisilver Vanadate, Alpha","","","- Ag3 O4 V -","- Ag3 O4 V -","- Ag12 O16 V4 -","4","0.5","","Cloet, V.; Raw, A.; Poeppelmeier, K. R.; Trimarchi, G.; Peng, H.; Im, J.; Freeman, A.J.; Perry, N. H.; Mason, T. O.; Zakutayev, A.; Ndione, P. F.; Ginley, D. S.; Perkins, J. D.","Structural, Optical, and Transport Properties of α- and β-Ag3VO4","Chemistry of Materials","2012","24","17","3346","","10.1021/cm301119c","","","0.71073","MoKα","","0.0154","0.0151","","","0.0452","0.0454","","","","","","1.26","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001678","4.9795","0.0007","4.9795","0.0007","9.7271","0.0019","90","","90","","90","","241.19","0.07","400","2","400","2","","","","","","","","3","I -4 2 m","I -4 2","121","Trisilver Vanadate, Beta","","","- Ag3 O4 V -","- Ag3 O4 V -","- Ag6 O8 V2 -","2","0.125","","Cloet, V.; Raw, A.; Poeppelmeier, K. R.; Trimarchi, G.; Peng, H.; Im, J.; Freeman, A.J.; Perry, N. H.; Mason, T. O.; Zakutayev, A.; Ndione, P. F.; Ginley, D. S.; Perkins, J. D.","Structural, Optical, and Transport Properties of α- and β-Ag3VO4","Chemistry of Materials","2012","24","17","3346","","10.1021/cm301119c","","","0.71073","MoKα","","0.045","0.0419","","","0.0708","0.0715","","","","","","1.197","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001679","22.13","0.003","22.13","0.003","13.31","0.003","90","","90","","120","","5645.1","1.7","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C144 H48 Co18 O160 -","- C144 H48 Co18 O160.2 -","- C144 H48 Co18 O160.2 -","1","0.0833333","","Hmadeh, Mohamad; Lu, Zheng; Liu, Zheng; Gándara, Felipe; Furukawa, Hiroyasu; Wan, Shun; Augustyn, Veronica; Chang, Rui; Liao, Lei; Zhou, Fei; Perre, Emilie; Ozolins, Vidvuds; Suenaga, Kazu; Duan, Xiangfeng; Dunn, Bruce; Yamamto, Yasuaki; Terasaki, Osamu; Yaghi, Omar M.","New Porous Crystals of Extended Metal-Catecholates","Chemistry of Materials","2012","24","18","3511","","10.1021/cm301194a","","","0.92017","Synchrotronradiation","","0.0844","0.0734","","","0.2048","0.2136","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001680","13.8639","0.0005","13.8639","0.0005","9.3974","0.0006","90","","90","","120","","1564.26","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 S12 -","- Cd3.9999 Cs Ga5.01 S12 -","- Cd11.9997 Cs3 Ga15.03 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0227","0.0217","","","0.0438","0.0441","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001681","13.8071","0.0006","13.8071","0.0006","9.3492","0.0007","90","","90","","120","","1543.51","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb S12 -","- Cd4.0005 Ga4.98 Rb S12 -","- Cd12.0015 Ga14.94 Rb3 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0233","0.0233","","","0.0539","0.0539","","","","","","1.087","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001682","13.7905","0.0005","13.7905","0.0005","9.3304","0.0006","90","","90","","120","","1536.71","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 K S12 -","- Cd3.999 Ga4.98 K S12 -","- Cd11.997 Ga14.94 K3 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0246","0.0242","","","0.0577","0.0578","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001683","12.59","0.002","12.852","0.002","13.984","0.004","90","","107.63","0.02","90","","2156.4","0.8","150","2","150","2","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Ge O8 Si3 -","- Ge1.0155 O8 Si2.9845 -","- Ge8.124 O64 Si23.876 -","8","2","","Yu, Zheng-Bao; Han, Yu; Zhao, Lan; Huang, Shiliang; Zheng, Qi-Yu; Lin, Shuangzheng; Córdova, Armando; Zou, Xiaodong; Sun, Junliang","Intergrown New Zeolite Beta Polymorphs with Interconnected 12-Ring Channels Solved by Combining Electron Crystallography and Single-Crystal X-ray Diffraction","Chemistry of Materials","2012","24","19","3701","","10.1021/cm301654d","","","0.6889","synchrotron","","0.1595","0.1139","","","0.2917","0.3195","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001684","9.5974","0.0017","9.5974","","13.581","0.004","90","","90","","90","","1250.9","0.4","","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- B4 H20 K2 Mg N4 -","- B4 H20 K2 Mg N4 -","- B16 H80 K8 Mg4 N16 -","4","0.25","","Chua, Yong Shen; Li, Wen; Wu, Guotao; Xiong, Zhitao; Chen, Ping","From Exothermic to Endothermic Dehydrogenation ‒ Interaction of Monoammoniate of Magnesium Amidoborane and Metal Hydrides","Chemistry of Materials","2012","24","18","3574","","10.1021/cm301662q","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.16372","","1.31","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001685","9.4134","0.0017","9.4134","","12.7221","0.0023","90","","90","","90","","1127.3","0.3","","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- B4 H20 Mg N4 Na2 -","- B4 H20 Mg N4 Na2 -","- B16 H80 Mg4 N16 Na8 -","4","0.25","","Chua, Yong Shen; Li, Wen; Wu, Guotao; Xiong, Zhitao; Chen, Ping","From Exothermic to Endothermic Dehydrogenation ‒ Interaction of Monoammoniate of Magnesium Amidoborane and Metal Hydrides","Chemistry of Materials","2012","24","18","3574","","10.1021/cm301662q","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.13414","","0.97","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001686","17.2723","0.0016","6.7511","0.0007","17.6663","0.0017","90","","115.134","0.006","90","","1865","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl4 N2 O4 Pt -","- C15 H14 Cl4 N2 O4 Pt -","- C60 H56 Cl16 N8 O16 Pt4 -","4","1","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MoKα","","0.0487","0.0343","","0.106","0.085","0.106","","","","","","0.9072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001687","9.1145","0.0004","14.6632","0.0007","15.2749","0.0007","61.445","0.003","82.988","0.003","84.057","0.003","1777.33","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl2 N2 O4 Pt -","- C16 H16 Cl2 N2 O4 Pt -","- C64 H64 Cl8 N8 O16 Pt4 -","4","2","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MolybdenumKα","","0.048","0.031","","0.037","0.034","","","","","1.06","1.06","","","","","has coordinates","194387","2020-10-21","18:00:00",""
"4001688","7.2871","0.0005","11.8947","0.0008","31.3949","0.002","94.642","0.004","90.283","0.004","95.377","0.004","2700.2","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H74 Cl8 N2 O4 Pt -","- C46 H74 Cl8 N2 O4 Pt -","- C92 H148 Cl16 N4 O8 Pt2 -","2","1","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MolybdenumKα","","0.096","0.052","","0.132","0.051","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001689","10.7173","0.0006","10.7173","0.0006","10.7173","0.0006","90","","90","","90","","1230.99","0.12","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 K7.22 Zn18.2 -","- As27.8 K7.222 Zn18.2 -","- As27.8 K7.222 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0204","0.0145","","","0.03","0.0313","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001690","10.7413","0.0006","10.7413","0.0006","10.7413","0.0006","90","","90","","90","","1239.28","0.12","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 Rb7.17 Zn18.2 -","- As27.8 Rb7.166 Zn18.2 -","- As27.8 Rb7.166 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0291","0.0198","","","0.0356","0.0376","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001691","10.7731","0.0008","10.7731","0.0008","10.7731","0.0008","90","","90","","90","","1250.32","0.16","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 Cs6.36 Zn18.2 -","- As27.8 Cs6.358 Zn18.2 -","- As27.8 Cs6.358 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0165","0.0147","","","0.0336","0.0343","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001692","11.3281","0.0005","11.3281","0.0005","11.3281","0.0005","90","","90","","90","","1453.69","0.11","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As28.06 Cd17.94 Cs7.26 -","- As28.076 Cd17.924 Cs7.258 -","- As28.076 Cd17.924 Cs7.258 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0261","0.0212","","","0.0519","0.055","","","","","","1.066","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001693","5.49368","0.00023","5.47408","0.00022","22.0913","0.0008","90","","90","","90","","664.35","0.05","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Cr O14 Ti2 -","- Bi6 Cl Cr O14 Ti2 -","- Bi12 Cl2 Cr2 O28 Ti4 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001694","5.51858","0.00022","5.48512","0.0002","22.18","0.0007","90","","90","","90","","671.39","0.04","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Fe O14 Ti2 -","- Bi6 Cl Fe O14 Ti2 -","- Bi12 Cl2 Fe2 O28 Ti4 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001695","5.515","0.0004","5.4939","0.0004","22.0436","0.0013","90","","90","","90","","667.9","0.08","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Mn O14 Ti2 -","- Bi6 Cl Mn0.99999 O14 Ti2.00001 -","- Bi12 Cl2 Mn1.99998 O28 Ti4.00002 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001696","13.7022","0.0014","20.271","0.002","22.131","0.002","116.461","0.002","94.512","0.002","99.807","0.002","5338.8","0.9","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C58.5 H41 B2 Cl Co N6 O6 S4 -","- C58.5 H41 B2 Cl Co N6 O6 S4 -","- C234 H164 B8 Cl4 Co4 N24 O24 S16 -","4","2","","Liu, Wenjun; Huang, Weijie; Chen, Chun-Hsing; Pink, Maren; Lee, Dongwhan","Charge Injection and Transport in Metal-Containing Conducting Polymers: Spectroelectrochemical Mapping of Redox Activities","Chemistry of Materials","2012","24","18","3650","","10.1021/cm302361p","","","0.71073","MoKα","","0.1526","0.0637","","0.2793","0.1613","0.2793","","","","","","0.9525","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001697","21.843","0.004","16.346","0.003","22.79","0.004","90","","115.921","0.003","90","","7318","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H84 B2 Co N7 O6 S4 -","- C81 H84 B2 Co N7 O6 S4 -","- C324 H336 B8 Co4 N28 O24 S16 -","4","1","","Liu, Wenjun; Huang, Weijie; Chen, Chun-Hsing; Pink, Maren; Lee, Dongwhan","Charge Injection and Transport in Metal-Containing Conducting Polymers: Spectroelectrochemical Mapping of Redox Activities","Chemistry of Materials","2012","24","18","3650","","10.1021/cm302361p","","","0.71073","MoKα","","0.1332","0.0841","","","0.1988","0.2292","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001698","13.4677","0.0004","26.8557","0.0005","11.116","0.0005","90","","90","","90","","4020.5","0.2","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H43 La3 O40 P4 -","- C8 La3 O40 P4 -","- C32 La12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","Cuka","","","","","","","","0.13667","","3.49","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001699","13.36042","0.00033","26.282","0.0008","11.26679","0.00032","90","","90","","90","","3956.2","0.19","293","","293","","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C8 H43 La3 O40 P4 -","- C8 La3 O40 P4 -","- C32 La12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0621","","1.81","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001700","13.4033","0.0005","26.6912","0.001","11.0963","0.0005","90","","90","","90","","3969.7","0.3","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H43 Ce3 O40 P4 -","- C8 Ce3 O40 P4 -","- C32 Ce12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.06693","","1.78","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001701","13.0433","0.0002","25.7014","0.0003","11.0757","0.0001","90","","90","","90","","3712.92","0.08","100","2","100","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C8 H36 Gd3 O36 P4 -","- C8 H8 Gd3 O32 P4 -","- C32 H32 Gd12 O128 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","","","0.71073","MoKα","","0.0253","0.0233","","","0.0608","0.0617","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001702","12.88625","0.00005","6.42081","0.00002","10.62842","0.00004","90","","90","","90","","879.397","0.005","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F2 K2 Ni2 O8 S2 -","- F2 K2 Ni2 O8 S2 -","- F8 K8 Ni8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","5.9665","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001703","13.05136","0.00003","6.496875","0.000017","10.71796","0.00003","90","","90","","90","","908.809","0.004","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Co2 F2 K2 O8 S2 -","- Co2 F2 K2 O8 S2 -","- Co8 F8 K8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","2.2305","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001704","13.15116","0.00003","6.539302","0.000014","10.86887","0.00003","90","","90","","90","","934.716","0.004","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F2 Fe2 K2 O8 S2 -","- F2 Fe2 K2 O8 S2 -","- F8 Fe8 K8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","2.637","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001705","11.2503","0.0006","11.2531","0.0005","22.2884","0.0014","90","","97.26","0.005","90","","2799.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs2 Hg2 In2 S6 -","- Cs2 Hg2 In2 S6 -","- Cs16 Hg16 In16 S48 -","8","1","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Jin, Hosub; Morris, Collin D.; Zhao, Lidong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsHgInS3: a New Quaternary Semiconductor for γ-ray Detection","Chemistry of Materials","2012","24","22","4434","","10.1021/cm302838v","","","0.71073","MoKα","","0.1371","0.0777","","","0.1624","0.1852","","","","","","1.125","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001706","9.186","0.002","11.811","0.004","17.1785","0.001","90","","102.432","0.004","90","","1820.1","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,2-bis(butylselanyl)ethane)tetrachlorotin(IV)","","- C10 H22 Cl4 Se2 Sn -","- C10 H22 Cl4 Se2 Sn -","- C40 H88 Cl16 Se8 Sn4 -","4","0.5","","de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian","Highly Selective Chemical Vapor Deposition of Tin Diselenide Thin Films onto Patterned Substrates via Single Source Diselenoether Precursors","Chemistry of Materials","2012","24","22","4442","","10.1021/cm302864x","","","0.71073","MoKα","","0.0402","0.0336","","","0.0753","0.0794","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001707","18.912","0.0003","18.912","0.0003","18.912","0.0003","90","","90","","90","","6764.14","0.19","293","2","293","2","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","","","- C72 H48 Cu12 I12 N12 O29 Zn8 -","- C72 H48 Cu12 I12 N12 O29 Zn8 -","- C144 H96 Cu24 I24 N24 O58 Zn16 -","2","0.0833333","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.1171","0.0821","","","0.2199","0.245","","","","","","1.141","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001708","28.751","0.0008","18.0562","0.0004","16.7272","0.0005","90","","90","","90","","8683.7","0.4","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C18 H18 Cu4 I4 N6 O4 Zn -","- C18 H18 Cu4 I4 N6 O4 Zn -","- C144 H144 Cu32 I32 N48 O32 Zn8 -","8","","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.0586","0.0468","","","0.1439","0.1515","","","","","","1.099","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001709","18.0043","0.0008","21.1164","0.0009","18.1594","0.0014","90","","93.344","0.005","90","","6892.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cu4 I4 Mn2 N5 O11 -","- C27 H24 Cu4 I4 Mn2 N5 O11 -","- C108 H96 Cu16 I16 Mn8 N20 O44 -","4","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.1141","0.0577","","","0.1308","0.1479","","","","","","0.86","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001710","11.728","0.006","5.7953","0.0013","24.755","0.006","89.999","0.003","102.881","0.003","89.95","0.003","1640.2","1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- Bi26 Mo10 O69 -","- Bi26 Mo10 O69 -","- Bi26 Mo10 O69 -","1","0.5","","Ling, Chris D.; Miiller, Wojciech; Johnson, Mark R.; Richard, Didier; Rols, Stéphane; Madge, Jim; Evans, Ivana R.","Local Structure, Dynamics, and the Mechanisms of Oxide Ionic Conduction in Bi26Mo10O69","Chemistry of Materials","2012","24","23","4607","","10.1021/cm303202r","","","0.6889","MoKα","","0.0707","0.0638","","0.1314","0.1309","0.1297","","","","","","0.9348","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001711","9.721","0.0001","9.721","0.0001","7.1867","0.0001","90","","90","","120","","588.142","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.33 O26 Si6 -","- La9.3336 O26 Si6 -","- La9.3336 O26 Si6 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Oyabu, Masayuki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Apatite-Type Lanthanum Silicate with Excess Oxide Ions","Chemistry of Materials","2012","24","23","4623","","10.1021/cm3034643","","","0.71073","MoKα","","0.0145","0.0126","","","0.0186","0.0192","","","","1.26","1.26","1.24","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001712","9.7136","0.0001","9.7136","0.0001","7.1814","0.0001","90","","90","","120","","586.814","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.5 O26.26 Si6 -","- La9.5044 O26.2568 Si6 -","- La9.5044 O26.2568 Si6 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Oyabu, Masayuki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Apatite-Type Lanthanum Silicate with Excess Oxide Ions","Chemistry of Materials","2012","24","23","4623","","10.1021/cm3034643","","","0.71073","MoKα","","0.0412","0.0204","","","0.0202","0.0226","","","","1.09","1.09","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001960","12.255","0.003","14.877","0.003","16.037","0.003","90.02","0.03","94.3","0.03","94.75","0.03","2905.5","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H54 Cl6 N2 O8 -","- C72 H54 Cl6 N2 O8 -","- C144 H108 Cl12 N4 O16 -","2","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.081","0.0578","","","0.1508","0.1687","","","","","","1.045","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001961","12.466","0.003","14.607","0.003","17.777","0.006","90","","122.27","0.02","90","","2737","1.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N O4 -","- C36 H29 N O4 -","- C144 H116 N4 O16 -","4","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.0509","0.0391","","","0.091","0.0951","","","","","","0.911","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001962","9.756","0.002","13.361","0.003","15.794","0.003","104.18","0.03","103.41","0.03","100.78","0.03","1875.6","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Cl12 N2 O8 -","- C74.2 H56 N2 O8 -","- C74.2 H56 N2 O8 -","1","0.5","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.4862","0.4538","","","0.7954","0.8236","","","","","","3.588","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001963","13.507","0.004","14.759","0.005","15.313","0.005","110.149","0.007","90.272","0.004","91.206","0.004","2865","1.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H48 Cl6 N2 O8 -","- C69 H48 Cl6 N2 O8 -","- C138 H96 Cl12 N4 O16 -","2","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.7107","MoKα","","0.1003","0.0709","","","0.1843","0.2066","","","","","","1.058","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001964","14.759","0.004","22.637","0.006","10.135","0.003","90","","94.415","0.004","90","","3376.1","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H52 Cl12 N2 O8 -","- C72 H50 Cl12 N2 O8 -","- C144 H100 Cl24 N4 O16 -","2","0.5","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.0997","0.0888","","","0.2489","0.2612","","","","","","1.035","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001965","26.823","0.008","8.243","0.002","27.085","0.008","90","","108.789","0.005","90","","5669","3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H51 Cl3 N2 O8 -","- C70 H51 Cl3 N2 O8 -","- C280 H204 Cl12 N8 O32 -","4","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.1135","0.0841","","","0.1603","0.173","","","","","","1.185","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001966","7.5434","0.0002","14.826","0.0003","7.8284","0.0002","90","","90","","90","","875.52","0.04","94","2","94","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.25 Gd4.75 Ge4 -","- Eu0.25 Gd4.75 Ge4 -","- Eu Gd19 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0503","0.0353","","","0.0675","0.0721","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001967","7.5993","0.0006","15.2558","0.0015","8.0218","0.0006","90","","90","","90","","929.99","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Gd4 Ge4 -","- Eu Gd4 Ge4 -","- Eu4 Gd16 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0819","0.0381","","","0.043","0.049","","","","","","0.889","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001968","7.676","0.0004","14.7819","0.0008","7.7738","0.0003","90","","90","","90","","882.06","0.07","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0315","0.0211","","","0.0308","0.0324","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001969","7.5669","0.0008","14.9047","0.0015","7.8648","0.0008","90","","90","","90","","887.01","0.16","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.5 Gd4.5 Ge4 -","- Eu0.5 Gd4.5 Ge4 -","- Eu2 Gd18 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0319","0.0249","","","0.0479","0.0503","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001970","7.6327","0.0012","14.909","0.0019","7.8481","0.0007","90","","90","","92.976","0.012","891.9","0.2","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Eu0.5 Gd4.5 Ge4 -","- Eu0.5 Gd4.5 Ge4 -","- Eu2 Gd18 Ge16 -","4","1","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.1343","0.0468","","","0.0559","0.073","","","","","","0.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001971","7.6781","0.0006","14.8416","0.0014","7.7797","0.0007","90","","90","","90","","886.54","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.25 Gd4.75 Ge4 -","- Eu0.25 Gd4.75 Ge4 -","- Eu Gd19 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0649","0.0386","","","0.0515","0.0555","","","","","","0.96","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4026818","9.799","0.005","34.783","0.016","13.065","0.007","90","","124.708","0.012","90","","3661","3","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 -","- C26 H28 -","- C208 H224 -","8","2","","Yixi Yang; Michael R. Mannion; Louise N. Dawe; Christina M. Kraml; Robert A. Pascal; Graham J. Bodwell","Synthesis, Crystal Structure, and Resolution of [10](1,6)Pyrenophane: An Inherently Chiral [n]Cyclophane","Journal of Organic Chemistry","2012","77","","57","67","10.1021/jo201013q","","","0.71075","MoKα","","0.1324","0.124","","","0.35","0.3563","","","","","","1.197","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026819","7.3519","0.0019","10.559","0.003","12.901","0.003","73.766","0.016","73.458","0.017","80.23","0.02","917.3","0.4","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","1","","Yixi Yang; Michael R. Mannion; Louise N. Dawe; Christina M. Kraml; Robert A. Pascal; Graham J. Bodwell","Synthesis, Crystal Structure, and Resolution of [10](1,6)Pyrenophane: An Inherently Chiral [n]Cyclophane","Journal of Organic Chemistry","2012","77","","57","67","10.1021/jo201013q","","","0.71075","MoKα","","0.0771","0.0659","","","0.1559","0.1655","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026820","10.776","0.002","12.517","0.003","17.465","0.004","90","","90","","90","","2355.7","0.9","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H18 B F2 N3 S2 -","- C28 H18 B F2 N3 S2 -","- C112 H72 B4 F8 N12 S8 -","4","1","","Xinfu Zhang; Haibo Yu; Yi Xiao","Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes","Journal of Organic Chemistry","2012","77","","669","673","10.1021/jo201413b","","","0.71073","MoKα","","0.0508","0.043","","","0.1488","0.1689","","","","","","0.55","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026821","12.984","0.011","16.31","0.013","21.56","0.017","90","","90","","90","","4566","6","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H28 B2 F4 N6 S8 -","- C48 H28 B2 F4 N6 S8 -","- C192 H112 B8 F16 N24 S32 -","4","1","","Xinfu Zhang; Haibo Yu; Yi Xiao","Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes","Journal of Organic Chemistry","2012","77","","669","673","10.1021/jo201413b","","","0.71073","MoKα","","0.2149","0.0927","","","0.2352","0.2778","","","","","","0.999","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026822","26.3811","0.0009","6.9702","0.0003","11.4961","0.0005","90","","96.058","0.002","90","","2102.12","0.15","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 I O6 -","- C20 H27 I O6 -","- C80 H108 I4 O24 -","4","1","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0335","0.0322","","","0.0824","0.0844","","","","","","1.042","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026823","12.6964","0.0003","10.2021","0.0003","16.7996","0.0003","90","","99.8944","0.0014","90","","2143.68","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 I O6 -","- C20 H27 I O6 -","- C80 H108 I4 O24 -","4","2","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0296","0.0273","","","0.0638","0.0666","","","","","","1.056","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026824","5.3633","0.0002","11.0398","0.0004","32.0423","0.0012","90","","90","","90","","1897.22","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0975","0.0788","","","0.1756","0.1905","","","","","","1.21","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026825","19.9932","0.0019","19.5534","0.0018","12.3256","0.0012","90","","112.147","0.004","90","","4463","0.7","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2S,3S)-methyl 1-benzyl-5-oxo-2-phenyl-3-((S)-p-tolylsulfinyl) pyrrolidine-3-carboxylate","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","2","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","0.71073","MoKα","","0.036","0.0319","","","0.077","0.0795","","","","","","1.017","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026826","14.634","0.0004","16.3527","0.0004","13.0268","0.0003","90","","92.626","0.002","90","","3114.11","0.13","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 51, Tricycle bis-p-bromophenylamide","","","- C35 H33 Br2 N3 O4 -","- C35 H31 Br2 N3 O4 -","- C140 H124 Br8 N12 O16 -","4","1","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","1.54178","CuKα","","0.0574","0.0445","","","0.1088","0.1144","","","","","","1.062","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026827","16.7047","0.001","10.6314","0.0007","10.7298","0.0007","90","","112.237","0.002","90","","1763.8","0.2","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","Compound 53, tetracycle","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","1.54178","CuKα","","0.0299","0.0299","","","0.0845","0.0845","","","","","","1.054","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026828","20.283","0.0009","11.0569","0.0008","7.3888","0.0004","90","","100.988","0.003","90","","1626.69","0.16","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 N2 -","- C24 H10 N2 -","- C96 H40 N8 -","4","0.5","","Paul N. W. Baxter; Abdelaziz Al Ouahabi; Jean-Paul Gisselbrecht; Lydia Brelot; Alexandre Varnek","Electronic, Spectroscopic, and Ion-Sensing Properties of a Dehydro[m]pyrido[14]- and [15]annulene Isomer Library","Journal of Organic Chemistry","2012","77","","126","142","10.1021/jo201595s","","","0.71073","MoKα","","0.0651","0.0435","","","0.1126","0.1381","","","","","","1.099","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026829","7.9834","0.0004","19.6905","0.0008","11.172","0.0004","90","","113.113","0.003","90","","1615.24","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 N2 -","- C24 H10 N2 -","- C96 H40 N8 -","4","1","","Paul N. W. Baxter; Abdelaziz Al Ouahabi; Jean-Paul Gisselbrecht; Lydia Brelot; Alexandre Varnek","Electronic, Spectroscopic, and Ion-Sensing Properties of a Dehydro[m]pyrido[14]- and [15]annulene Isomer Library","Journal of Organic Chemistry","2012","77","","126","142","10.1021/jo201595s","","","0.71073","MoKα","","0.0878","0.0526","","","0.1268","0.1524","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026830","6.9562","0.001","6.9956","0.001","34.129","0.005","90","","90","","90","","1660.8","0.4","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N3 O6 P -","- C15 H20 N3 O6 P -","- C60 H80 N12 O24 P4 -","4","1","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.0715","0.0505","","","0.0969","0.1045","","","","","","0.903","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026831","8.2341","0.0009","8.3291","0.0009","12.9089","0.0014","90","","104.66","0.002","90","","856.5","0.16","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N5 O4 P -","- C15 H16 N5 O4 P -","- C30 H32 N10 O8 P2 -","2","1","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.0781","0.0514","","","0.1054","0.1182","","","","","","1.036","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026832","5.7894","0.0015","43.207","0.011","6.81","0.0018","90","","112.184","0.004","90","","1577.4","0.7","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N5 O4 P -","- C15 H16 N5 O4 P -","- C60 H64 N20 O16 P4 -","4","2","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.1105","0.0498","","","0.0554","0.0657","","","","","","0.733","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026833","12.7315","0.0016","7.0769","0.0009","13.982","0.0018","90","","93.502","0.002","90","","1257.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","BI2","'BI2' ?","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C58 H68 N4 O6 S2 -","2","1","","Yongda Zhang; Sampada Chitale; Navneet Goyal; Guisheng Li; Zhengxu S. Han; Sherry Shen; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Asymmetric Synthesis of Sulfinamides Using (-)-Quinine as Chiral Auxiliary","Journal of Organic Chemistry","2012","77","","690","695","10.1021/jo201825b","","","0.71073","MoKα","","0.1219","0.0685","","","0.1284","0.1483","","","","","","1.035","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026834","10.7148","0.0006","20.2974","0.0008","7.5927","0.0004","90","","104.928","0.007","90","","1595.55","0.15","220","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl N4 O2 S -","- C14 H17 Cl N4 O2 S -","- C56 H68 Cl4 N16 O8 S4 -","4","1","","Gwenaelle Bouscary-Deforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Regioselective Synthesis of 2,8-Disubstituted 4-Aminopyrido[3,2-d]pyrimidine-6-carboxylic Acid Methyl Ester Compounds","Journal of Organic Chemistry","2012","77","","243","252","10.1021/jo201834d","","","0.71073","MoKα","","","0.031","","","","0.031","","","","","","1.13","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026835","7.4207","0.0005","17.8547","0.0009","11.9918","0.0009","90","","100.761","0.008","90","","1560.91","0.18","150","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N4 O2 S -","- C14 H17 Cl N4 O2 S -","- C56 H68 Cl4 N16 O8 S4 -","4","1","","Gwenaelle Bouscary-Deforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Regioselective Synthesis of 2,8-Disubstituted 4-Aminopyrido[3,2-d]pyrimidine-6-carboxylic Acid Methyl Ester Compounds","Journal of Organic Chemistry","2012","77","","243","252","10.1021/jo201834d","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.28","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026836","10.0851","0.0004","10.1437","0.0003","15.5003","0.0007","71.158","0.004","71.357","0.004","87.168","0.003","1419.4","0.11","297","2","297","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","2","","Leire Arias; Yosu Vara; Fernando P. Cossío","Regioselective Preparation of Benzo[b]furans from Phenols and α-Bromoketones","Journal of Organic Chemistry","2012","77","","266","275","10.1021/jo201841y","","x-ray","0.71073","MoKα","","0.1208","0.0535","","","0.1104","0.1309","","","","","","0.851","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026837","7.2747","0.0005","8.8758","0.0005","11.9601","0.0009","109.342","0.006","105.211","0.006","92.871","0.005","695.13","0.09","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Leire Arias; Yosu Vara; Fernando P. Cossío","Regioselective Preparation of Benzo[b]furans from Phenols and α-Bromoketones","Journal of Organic Chemistry","2012","77","","266","275","10.1021/jo201841y","","x-ray","0.71073","MoKα","","0.0537","0.0413","","","0.1059","0.1109","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026838","10.432","0.002","10.465","0.0019","11.533","0.002","90.692","0.004","108.767","0.003","106.266","0.004","1137.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl N2 O4 -","- C26 H21 Cl N2 O4 -","- C52 H42 Cl2 N4 O8 -","2","1","","Yi-Bo Nie; Long Wang; Ming-Wu Ding","Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles by a Sequential Aza-Wittig/Michael/Isomerization Reaction","Journal of Organic Chemistry","2012","77","","696","700","10.1021/jo201846w","","","0.71073","MoKα","","0.0856","0.0585","","","0.1144","0.1258","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026839","24.35","0.009","4.8391","0.0019","19.731","0.008","90","","109.888","0.006","90","","2186.3","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","1","","Weihua Chen; Eric B. Twum; Linlin Li; Brian D. Wright; Peter L. Rinaldi; Yi Pang","Rotational Energy Barrier of 2-(2',6'-Dihydroxyphenyl)benzoxazole: A Case Study by NMR","Journal of Organic Chemistry","2012","77","","285","290","10.1021/jo201890f","","","0.71073","MoKα","","0.0461","0.0436","","","0.1205","0.1231","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026840","16.301","0.01","4.863","0.003","13.818","0.008","90","","101.652","0.009","90","","1072.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Weihua Chen; Eric B. Twum; Linlin Li; Brian D. Wright; Peter L. Rinaldi; Yi Pang","Rotational Energy Barrier of 2-(2',6'-Dihydroxyphenyl)benzoxazole: A Case Study by NMR","Journal of Organic Chemistry","2012","77","","285","290","10.1021/jo201890f","","","0.71073","MoKα","","0.11","0.0679","","","0.1644","0.1784","","","","","","0.89","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026841","6.959","0.0015","17.159","0.003","19.174","0.004","90","","90","","90","","2289.6","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl2 N2 O4 -","- C23 H24 Cl2 N2 O4 -","- C92 H96 Cl8 N8 O16 -","4","1","","Xianyou Peng; Peijun Li; Yian Shi","Synthesis of (+)-Ambrisentan via Chiral Ketone-Catalyzed Asymmetric Epoxidation","Journal of Organic Chemistry","2012","77","","701","703","10.1021/jo201927m","","","0.71073","MoKα","","0.0817","0.069","","","0.1113","0.118","","","","","","1.119","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026842","27.8608","0.0008","27.8608","0.0008","16.1433","0.0011","90","","90","","120","","10852","0.9","100","2","100","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0557","0.047","","","0.1271","0.1366","","","","","","1.057","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026843","10.3497","0.0001","18.0455","0.0002","28.4735","0.0003","90","","96.591","0.001","90","","5282.72","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H80 O -","- C68 H80 O -","- C272 H320 O4 -","4","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.1079","0.0684","","","0.1909","0.2147","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026844","24.3175","0.0005","22.5604","0.0005","27.6744","0.0006","90","","90","","90","","15182.5","0.6","99","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Diethyl ether)tris(tetrahydrofuran)lithium (diethyl ether)lithium tris[(4,4'-bis(1,1- dimethylethyl)biphenyl-2,2'-diyl]zirconate(IV) (diethyl ether) hemisolvate","","","- C82 H121 Li2 O5.5 Zr -","- C82 H121 Li2 O5.5 Zr -","- C656 H968 Li16 O44 Zr8 -","8","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0782","0.05","","","0.1292","0.1428","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026845","14.406","0.0006","15.0572","0.0006","15.9486","0.0006","72.458","0.003","77.005","0.003","78.846","0.003","3184.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,7,12,17,22,17-Hexakis(1,1-dimethylethyl)hexabenzo[a,c,k,m,u,w] trinaphthylene 1,2-dibromobenzene solvate","","- C84 H82 Br2 -","- C84 H82 Br2 -","- C168 H164 Br4 -","2","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.1985","0.0841","","","0.1999","0.2378","","","","","","0.988","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026846","8.9649","0.0006","10.4999","0.0007","27.225","0.002","90","","90","","90","","2562.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N O P Pd -","- C27 H30 Cl2 N O P Pd -","- C108 H120 Cl8 N4 O4 P4 Pd4 -","4","1","","Étienne Bélanger; Marie-France Pouliot; Marc-André Courtemanche; Jean-François Paquin","Design, Synthesis, and Applications of Potential Substitutes of t-Bu-Phosphinooxazoline in Pd-Catalyzed Asymmetric Transformations and Their Use for the Improvement of the Enantioselectivity in the Pd-Catalyzed Allylation Reaction of Fluorinated Allyl Enol Carbonates","Journal of Organic Chemistry","2012","77","","317","331","10.1021/jo2019653","","","1.54178","CuKα","","0.0164","0.0164","","","0.0451","0.0451","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026847","16.6382","0.0016","13.2364","0.0014","15.3904","0.0016","90","","97.49","0.002","90","","3360.5","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C160 H160 S16 -","8","2","","Vasily A. Migulin; Michael M. Krayushkin; Valery A. Barachevsky; Olga I. Kobeleva; Tatyana M. Valova; Konstantin A. Lyssenko","Synthesis and Characterization of Nonsymmetric Cyclopentene-Based Dithienylethenes","Journal of Organic Chemistry","2012","77","","332","340","10.1021/jo201966g","","","0.71073","MoKα","","0.0635","0.0448","","","0.1183","0.1283","","","","","","0.993","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026848","8.3268","0.0008","13.2672","0.0011","15.4463","0.0013","90","","97.4242","0.0017","90","","1692.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C80 H80 S8 -","4","1","","Vasily A. Migulin; Michael M. Krayushkin; Valery A. Barachevsky; Olga I. Kobeleva; Tatyana M. Valova; Konstantin A. Lyssenko","Synthesis and Characterization of Nonsymmetric Cyclopentene-Based Dithienylethenes","Journal of Organic Chemistry","2012","77","","332","340","10.1021/jo201966g","","","0.71073","MoKα","","0.0512","0.0407","","","0.1137","0.1254","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026849","7.0911","0.0008","10.8032","0.0012","34.798","0.005","90","","90","","90","","2665.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N O9 S2 -","- C27 H29 N O9 S2 -","- C108 H116 N4 O36 S8 -","4","1","","Wen-Ju Bai; Jason C. Green; Thomas R. R. Pettus","Total Syntheses of ent-Heliespirones A and C","Journal of Organic Chemistry","2012","77","","379","387","10.1021/jo201971g","","","0.71073","MoKα","","0.038","0.0363","","","0.0911","0.092","","","","","","1.09","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026850","7.0653","0.0003","8.3781","0.0003","12.8601","0.0005","90","","105.228","0.001","90","","734.51","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C30 H38 N2 O10 -","2","1","","Shanbao Yu; Qing-Qing Huang; Yu Luo; Wei Lu","Total Synthesis of Camptothecin and SN-38","Journal of Organic Chemistry","2012","77","","713","717","10.1021/jo201974f","","","0.71073","MoKα","","0.0258","0.025","","","0.0643","0.0651","","","","","","1.046","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026851","7.7761","0.0001","11.0405","0.0002","39.4167","0.0007","90","","90","","90","","3384","0.1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O6 Si -","- C37 H48 O6 Si -","- C148 H192 O24 Si4 -","4","1","","Sanjay S. Palimkar; Jun'ichi Uenishi; Hiromi Ii","Total Synthesis and Biological Evaluation of (-)-Apicularen A and Its Analogues","Journal of Organic Chemistry","2012","77","","388","399","10.1021/jo2019762","","","1.54187","CuKα","","","0.0575","","","","0.1431","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026852","9.713","0.0012","14.82","0.0014","11.4273","0.0014","90","","108.803","0.014","90","","1557.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 Se -","- C18 H18 O2 Se -","- C72 H72 O8 Se4 -","4","1","","Badaker M. Laloo; Hormi Mecadon; Md. Rumum Rohman; Iadeishisha Kharbangar; Icydora Kharkongor; Mantu Rajbangshi; Rishanlang Nongkhlaw; Bekington Myrboh","Reaction of Selenium Dioxide with Aromatic Ketones in the Presence of Boron Triflouride Etherate: A Protocol for the Synthesis of Triarylethanones","Journal of Organic Chemistry","2012","77","","707","712","10.1021/jo201985n","","","0.71073","MoKα","","0.0283","0.0201","","","0.0511","0.052","","","","","","1.016","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026853","9.5556","0.0001","13.4123","0.0002","14.4803","0.0003","90","","107.654","0.0007","90","","1768.43","0.05","90","","90","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H25 Al O -","- C20 H25 Al O -","- C80 H100 Al4 O4 -","4","2","","Kengo Yoshida; Taniyuki Furuyama; Chao Wang; Atsuya Muranaka; Daisuke Hashizume; Shuji Yasuike; Masanobu Uchiyama","Aluminepin: Aluminum Analogues of Borepin and Gallepin","Journal of Organic Chemistry","2012","77","","729","732","10.1021/jo201992q","","","0.71073","MoKα","","0.0687","0.0634","","","0.1939","0.1994","","","","","","1.103","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026854","26.5365","0.0006","32.739","0.0008","17.4054","0.0004","90","","98.344","0.001","90","","14961.4","0.6","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O12 -","- C36 H24 O12 -","- C576 H384 O192 -","16","4","","Miroslav Dudič; Ivana Císařová; Josef Michl","Synthesis of Hexadehydrotribenzo[a,e,i][12]annulenes by Acetylene Insertion into an Open-Chain Precursor","Journal of Organic Chemistry","2012","77","","68","74","10.1021/jo202016v","","","0.71073","MoKα","","0.1079","0.0543","","","0.147","0.1672","","","","","","0.885","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4026855","5.7182","0.0005","5.9604","0.0006","8.6336","0.0007","96.773","0.007","92.481","0.007","99.717","0.008","287.41","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O -","- C16 H16 O -","- C16 H16 O -","1","0.5","","Prasad Ganji; Hasim Ibrahim","Deoxygenation of Hydroquinones as a General Route to Norbornane-Fused Aromatic Systems: An Entry into Substituted and Functionalized Dimethano- and Methanoanthracenes","Journal of Organic Chemistry","2012","77","","511","518","10.1021/jo202023w","","","1.54184","CuKα","","0.0415","0.0385","","","0.0966","0.0993","","","","","","1.035","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026856","10.668","0.01","7.081","0.007","22.36","0.02","90","","93.847","0.013","90","","1685","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl N2 -","- C22 H15 Cl N2 -","- C88 H60 Cl4 N8 -","4","1","","Shaukat Ali; Ying-Xiu Li; Saeed Anwar; Fang Yang; Zi-Sheng Chen; Yong-Min Liang","One-Pot Access to Indolo[2,3-b]quinolines by Electrophile-Triggered Cross-Amination/Friedel-Crafts Alkylation of Indoles with 1-(2-Tosylaminophenyl)ketones","Journal of Organic Chemistry","2012","77","","424","431","10.1021/jo202035p","","","0.71073","MoKα","","0.1266","0.0783","","","0.1925","0.2213","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026857","11.1092","0.0011","12.5174","0.0011","16.9785","0.0016","74.609","0.008","73.57","0.009","78.747","0.008","2164.9","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 O8 -","- C50 H55 O8 -","- C100 H110 O16 -","2","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.2228","0.113","","","0.2631","0.3049","","","","","","0.891","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026858","7.2962","0.0004","9.4","0.0004","16.2416","0.0008","85.924","0.004","84.034","0.004","72.977","0.004","1058.38","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 O8 -","- C50 H56 O8 -","- C50 H56 O8 -","1","0.5","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0621","0.0482","","","0.1309","0.137","","","","","","1.101","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026859","7.2615","0.0009","23.068","0.003","25.8","0.002","90","","90","","90","","4321.7","0.8","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C200 H224 O32 -","8","0.5","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0578","0.0432","","","0.1049","0.1104","","","","","","1.036","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026860","9.4735","0.0017","19.451","0.003","11.74","0.002","90","","104.73","0.02","90","","2092.2","0.6","150","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C108 H88 O8 -","4","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.1328","0.0532","","","0.1345","0.1563","","","","","","0.803","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026861","9.4276","0.0002","17.4034","0.0004","24.8191","0.0007","90","","97.203","0.002","90","","4039.99","0.17","150","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 -","- C54 H44 O4 -","- C216 H176 O16 -","4","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0577","0.0336","","","0.0679","0.0719","","","","","","0.875","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026862","12.4209","0.0013","5.64","0.0007","14.3079","0.0016","90","","96.562","0.008","90","","995.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C46 H50 Cl2 O8 -","2","1","","Jacqueline Jiménez; Aitor Landa; Aitziber Lizarraga; Miguel Maestro; Antonia Mielgo; Mikel Oiarbide; Irene Velilla; Claudio Palomo","Enantio- and Diastereoselective Organocatalytic α-Alkylation of Aldehydes with 3-Substituted 2-(Bromomethyl)acrylates","Journal of Organic Chemistry","2012","77","","747","753","10.1021/jo202073n","","","0.71073","MoKα","","0.106","0.0512","","","0.093","0.124","","","","","","0.905","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026863","30.4865","0.0006","30.4865","0.0006","12.0383","0.0004","90","","90","","120","","9689.7","0.4","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C41 H51.17 N5 O14.33 P2.5 -","- C41 H41 N5 O14.3333 P2.5 -","- C369 H369 N45 O129 P22.5 -","9","1","","Vicente Martí-Centelles; M. Isabel Burguete; Francisco Galindo; M. Angeles Izquierdo; D. Krishna Kumar; Andrew J.P. White; Santiago V. Luis; Ramón Vilar","Fluorescent Acridine-Based Receptors for H2PO4-","Journal of Organic Chemistry","2012","77","","490","500","10.1021/jo202077v","","","0.71073","MoKα","","0.1238","0.0868","","","0.2318","0.2622","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026864","10.2834","0.0009","7.4809","0.0006","10.1672","0.0008","90","","110.478","0.01","90","","732.73","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(pinacolate)diborane(4)","4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl-4',4',5', 5'-tetramethyl-1',3',2'-dioxaborolane","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.0455","0.0399","","","0.1111","0.1194","","","","","","1.03","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026865","10.3682","0.0003","16.4505","0.0005","19.7145","0.0007","90","","91.028","0.001","90","","3362","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 B2 N2 O4 -","- C34 H56 B2 N2 O4 -","- C136 H224 B8 N8 O16 -","4","1","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.0701","0.0411","","","0.0932","0.1052","","","","","","1.017","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026866","16.6584","0.0004","10.492","0.0002","19.4579","0.0004","90","","112.753","0.001","90","","3136.2","0.12","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","tetra(n-butyl)phosphonium bis(1,1,2,2-tetramethyl-1,2-diolato)borate","","- C28 H60 B O4 P -","- C28 H60 B O4 P -","- C112 H240 B4 O16 P4 -","4","1","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.06","0.0408","","","0.0952","0.1077","","","","","","1.005","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026867","5.8808","0.0002","11.1665","0.0002","21.9865","0.0006","90","","90","","90","","1443.81","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Jennifer Peed; Iwan R. Davies; Lucy R. Peacock; James E. Taylor; Gabriele Kociok-Köhn; Steven D. Bull","Dihydroxylation-Based Approach for the Asymmetric Syntheses of Hydroxy-γ-butyrolactones","Journal of Organic Chemistry","2012","77","","543","555","10.1021/jo2021289","","","0.71073","MoKα","","0.0555","0.0408","","","0.0915","0.0981","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026868","23.18","0.03","5.353","0.006","12.036","0.013","90","","90.93","0.03","90","","1493","3","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Christopher J. Bartlett; David P. Day; Yohan Chan; Steven M. Allin; Michael J. McKenzie; Alexandra M. Z. Slawin; Philip C. Bulman Page","Enantioselective Total Synthesis of (+)-Scuteflorin A Using Organocatalytic Asymmetric Epoxidation","Journal of Organic Chemistry","2012","77","","772","774","10.1021/jo2021407","","","0.71073","MoKα","","0.2189","0.1817","","","0.4014","0.4379","","","","","","1.187","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026869","9.5539","0.0002","11.8301","0.0002","22.8098","0.0006","90","","90","","90","","2578.05","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O3 S2 -","- C27 H23 Br N2 O3 S2 -","- C108 H92 Br4 N8 O12 S8 -","4","1","","Alma Viso; Roberto Fernández de la Pradilla; Mercedes Ureña; Robert H. Bates; Miguel A. del Águila; Ignacio Colomer","An Approach to the Stereoselective Synthesis of Enantiopure Dihydropyrroles and Aziridines from a Common Sulfinyl-Sulfinamide Intermediate","Journal of Organic Chemistry","2012","77","","525","542","10.1021/jo202144k","","","1.54178","CuKα","","0.0238","0.0235","","","0.0592","0.0595","","","","","","1.081","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026870","8.9673","0.0002","18.5999","0.0004","24.5171","0.0006","90","","90","","90","","4089.23","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C176 H288 O32 -","16","2","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.0624","0.0425","","","0.1153","0.1473","","","","","","1.055","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026871","6.5778","0.0009","9.9611","0.0014","16.789","0.002","85.436","0.007","84.148","0.007","83.784","0.006","1085.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 O4 Si -","- C21 H34 O4 Si -","- C42 H68 O8 Si2 -","2","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.1563","0.084","","","0.2162","0.2588","","","","","","1.027","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026872","6.8505","0.0004","9.2832","0.0005","18.4577","0.0011","77.288","0.001","84.422","0.001","84.451","0.001","1136.18","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 O4 Si -","- C22 H38 O4 Si -","- C44 H76 O8 Si2 -","2","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.0368","0.031","","","0.0862","0.0966","","","","","","1.11","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026873","19.8762","0.0005","19.8762","0.0005","10.665","0.0006","90","","90","","90","","4213.4","0.3","295","2","295","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C16 H23 Cl3 O4 -","- C16 H23 Cl3 O4 -","- C128 H184 Cl24 O32 -","8","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.1132","0.0596","","","0.1635","0.192","","","","","","1.01","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026874","8.402","0.003","11.908","0.004","13.721","0.004","90","","114.964","0.018","90","","1244.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N4 O4 -","- C12 H16 N4 O4 -","- C48 H64 N16 O16 -","4","1","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0498","0.0403","","","0.0741","0.0754","","","","","","2.366","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026875","12.4218","0.0007","11.3954","0.0007","8.1359","0.0005","90","","90","","90","","1151.65","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","0.5","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0395","0.0374","","","0.1023","0.1042","","","","","","1.058","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026876","10.0897","0.0008","10.5987","0.0009","6.5148","0.0005","90","","90","","90","","696.68","0.1","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C13 H18 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0449","0.0433","","","0.1289","0.132","","","","","","0.81","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026877","20.2298","0.0008","33.2253","0.0011","29.4252","0.001","90","","95.186","0.002","90","","19696.9","1.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C135 H258 Cl6 K6 N60 O87 -","- C135 H148 Cl6 K6 N60 O87 -","- C540 H592 Cl24 K24 N240 O348 -","4","1","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.1498","0.087","","","0.2507","0.2885","","","","","","1.052","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026878","12.6912","0.0005","12.5739","0.0005","23.0762","0.001","90","","98.67","0.002","90","","3640.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C116 H208 N48 O61 -","- C116 H208 N48 O61 -","- C116 H208 N48 O61 -","1","0.25","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0882","0.0655","","","0.1769","0.1948","","","","","","1.058","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026879","9.0544","0.0005","9.442","0.0006","11.9252","0.0008","92.914","0.005","101.077","0.005","108.534","0.005","941.73","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 F18 N4 O -","- C12 H4 F18 N4 O -","- C24 H8 F36 N8 O2 -","2","1","","Igor I. Gerus; Roman X. Mironetz; Ivan S. Kondratov; Andrei V. Bezdudny; Yurii V. Dmytriv; Oleg V. Shishkin; Viktoriia S. Starova; Olga A. Zaporozhets; Andrey A. Tolmachev; Pavel K. Mykhailiuk","""Reported, but Still Unknown."" A Closer Look into 3,4-Bis- and 3,4,5-Tris(trifluoromethyl)pyrazoles","Journal of Organic Chemistry","2012","77","","47","56","10.1021/jo202305c","","","0.71073","MoKα","","0.0814","0.0401","","","0.0865","0.0926","","","","","","0.814","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026880","16.463","0.0005","12.5288","0.0003","21.5826","0.0006","90","","111.568","0.003","90","","4140","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H2 F6 N2 -","- C5 H2 F6 N2 -","- C120 H48 F144 N48 -","24","6","","Igor I. Gerus; Roman X. Mironetz; Ivan S. Kondratov; Andrei V. Bezdudny; Yurii V. Dmytriv; Oleg V. Shishkin; Viktoriia S. Starova; Olga A. Zaporozhets; Andrey A. Tolmachev; Pavel K. Mykhailiuk","""Reported, but Still Unknown."" A Closer Look into 3,4-Bis- and 3,4,5-Tris(trifluoromethyl)pyrazoles","Journal of Organic Chemistry","2012","77","","47","56","10.1021/jo202305c","","","0.71073","MoKα","","0.104","0.0497","","","0.1039","0.1201","","","","","","0.984","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026881","9.4945","0.0019","10.87","0.002","12.264","0.003","90","","111.75","0.03","90","","1175.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Br N O -","- C27 H26 Br N O -","- C54 H52 Br2 N2 O2 -","2","1","","Kyoung Hee Kang; Junghwan Do; Yong Sun Park","Asymmetric Synthesis oftrans-2,3-Disubstituted Indoline Derivatives","Journal of Organic Chemistry","2012","77","","808","812","10.1021/jo2023526","","","0.71073","MoKα","","0.0836","0.0466","","","0.1105","0.1485","","","","","","1.073","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026882","7.8863","0.0002","23.7456","0.0005","9.0571","0.0002","90","","97.213","0.003","90","","1682.65","0.07","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Jens Cordes; Frederick Calo; Katie Anderson; Toni Pfaffeneder; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett","Total Syntheses of Angelicoin A, Hericenone J, and Hericenol A via Migratory Prenyl- and Geranylation-Aromatization Sequences","Journal of Organic Chemistry","2012","77","","652","657","10.1021/jo202354j","","","0.71073","MoKα","","0.0689","0.0502","","","0.127","0.1367","","","","","","1.055","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026883","25.4291","0.0008","10.2386","0.0003","20.0586","0.0007","90","","91.039","0.001","90","","5221.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 Fe N2 O4 -","- C33 H22 Fe N2 O4 -","- C264 H176 Fe8 N16 O32 -","8","2","","Li-Jun Chen; Quan-Jie Li; Jiuming He; Hongwei Tan; Zeper Abliz; Hai-Bo Yang","Design and Construction of Endo-Functionalized Multiferrocenyl Hexagons via Coordination-Driven Self-Assembly and Their Electrochemistry","Journal of Organic Chemistry","2012","77","","1148","1153","10.1021/jo201979d","","","0.71073","MoKα","","0.0331","0.0285","","","0.0732","0.0765","","","","","","1.047","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026884","8.009","0.014","11.045","0.019","11.59","0.02","113.247","0.018","105.854","0.018","97.89","0.018","871","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Br N2 O3 -","- C19 H11 Br N2 O3 -","- C38 H22 Br2 N4 O6 -","2","1","","Gen Zhang; Yaohu Zhang; Jiexi Yan; Ru Chen; Shoulei Wang; Yunxia Ma; Rui Wang","One-Pot Enantioselective Synthesis of Functionalized Pyranocoumarins and 2-Amino-4H-chromenes: Discovery of a Type of Potent Antibacterial Agent","Journal of Organic Chemistry","2012","77","","878","888","10.1021/jo202020m","","","0.71073","MoKα","","0.0953","0.0459","","","0.0921","0.1079","","","","","","1.014","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026885","16.2504","0.0018","12.0239","0.0013","18.9598","0.0015","90","","124.038","0.006","90","","3069.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Br N4 O2 S -","- C35 H33 Br N4 O2 S -","- C140 H132 Br4 N16 O8 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.0805","0.0464","","","0.124","0.1485","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026886","9.654","0.004","12.011","0.005","15.321","0.006","101.696","0.005","90.916","0.006","100.475","0.006","1708.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 N6 O4 S -","- C37 H36 N6 O4 S -","- C74 H72 N12 O8 S2 -","2","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.1207","0.07","","","0.1974","0.2377","","","","","","1.066","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026887","16.253","0.003","12.018","0.002","16.937","0.003","90","","110.58","0.03","90","","3097.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N4 O3 S -","- C36 H36 N4 O3 S -","- C144 H144 N16 O12 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.0625","0.0554","","","0.1476","0.1564","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026888","12.412","0.003","16.298","0.003","17.833","0.004","90","","91.209","0.003","90","","3606.6","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cl3 Fe N4 O3 S -","- C36 H36 Cl3 Fe N4 O3 S -","- C144 H144 Cl12 Fe4 N16 O12 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.1703","0.0847","","","0.2284","0.2916","","","","","","1.045","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026889","10.6629","0.0011","11.7766","0.0012","15.3061","0.0016","90","","105.025","0.001","90","","1856.3","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O7 -","- C19 H25 N O7 -","- C76 H100 N4 O28 -","4","1","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","0.71073","MoKα","","0.0638","0.0445","","","0.113","0.1245","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026890","9.3754","0.0018","11.161","0.002","11.962","0.002","90","","105.572","0.002","90","","1205.7","0.4","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","0.71073","MoKα","","0.0429","0.0362","","","0.0929","0.098","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026891","13.9836","0.0003","8.2614","0.00015","17.967","0.0004","90","","99.302","0.007","90","","2048.33","0.08","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","2","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","1.54187","CuKα","","","0.036","","","","0.0987","","","","","","1.041","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026892","11.606","0.0002","18.287","0.0002","7.1396","0.0001","90","","103.762","0.002","90","","1471.8","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(6-bromo-2-methoxynaphthalen-1-yl)isochroman","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Soo J. Park; Jason R. Price; Matthew H. Todd","Oxidative Arylation of Isochroman","Journal of Organic Chemistry","2012","77","","949","955","10.1021/jo2021373","","","0.71073","MoKα","","0.0397","0.0361","","","0.0915","0.0943","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026893","9.7507","0.0002","10.7237","0.0003","24.61","0.0005","96.602","0.0019","96.2797","0.0019","107.296","0.002","2412.53","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(4-methoxynaphthalen-1-yl)isochroman","","- C20 H17 Br O2 -","- C20 H17 Br O2 -","- C120 H102 Br6 O12 -","6","3","","Soo J. Park; Jason R. Price; Matthew H. Todd","Oxidative Arylation of Isochroman","Journal of Organic Chemistry","2012","77","","949","955","10.1021/jo2021373","","","1.54184","CuKα","","0.0285","0.0272","","","0.0741","0.0754","","","","","","1.043","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026894","8.4371","0.0003","8.7423","0.0003","14.5956","0.0007","105.766","0.003","98.497","0.004","99.551","0.003","1000.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(5-oxo-1-phenyl-3-propyl-2-thioxoimidazolidin-4-yl)ethylidene)- hydrazinecarboxamide x ethanol","","- C17 H25 N5 O3 S -","- C17 H25 N5 O3 S -","- C34 H50 N10 O6 S2 -","2","1","","Orazio A. Attanasi; Silvia Bartoccini; Gianfranco Favi; Gianluca Giorgi; Francesca Romana Perrulli; Stefania Santeusanio","Powerful Approach to Heterocyclic Skeletal Diversity by Sequential Three-Component Reaction of Amines, Isothiocyanates, and 1,2-Diaza-1,3-dienes","Journal of Organic Chemistry","2012","77","","1161","1167","10.1021/jo2021949","","","0.71073","MoKα","","0.0655","0.0429","","","0.1175","0.1247","","","","","","1.006","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026895","8.3746","0.001","5.691","0.0007","15.6697","0.0018","90","","101.539","0.003","90","","731.72","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H13 Br O2 -","- C19 H13 Br O2 -","- C38 H26 Br2 O4 -","2","1","","Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung","An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids","Journal of Organic Chemistry","2012","77","","999","1009","10.1021/jo202221c","","","0.71073","MoKα","","0.0326","0.0308","","","0.0734","0.075","","","","","","1.016","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026896","10.0497","0.0011","9.862","0.0011","23.217","0.003","90","","96.068","0.003","90","","2288.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung","An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids","Journal of Organic Chemistry","2012","77","","999","1009","10.1021/jo202221c","","","0.71073","MoKα","","0.0793","0.0641","","","0.1423","0.1498","","","","","","1.122","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026897","11.9253","0.0007","20.4021","0.0012","13.345","0.0008","90","","90.039","0.005","90","","3246.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C152 H216 N16 O8 -","4","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.091","0.037","","","0.0554","0.0595","","","","","","0.719","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026898","10.1677","0.0004","11.5098","0.0005","14.9251","0.0006","89.064","0.003","80.717","0.003","83.191","0.003","1711.62","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 N6 O2 -","- C40 H52 N6 O2 -","- C80 H104 N12 O4 -","2","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.0596","0.04","","","0.1014","0.1053","","","","","","1.049","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026899","17.9478","0.0003","20.838","0.0004","10.6397","0.0002","90","","90","","90","","3979.21","0.13","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42.25 H63.5 Cl N4 O0.75 -","- C42.25 H63.5 Cl N4 O0.75 -","- C169 H254 Cl4 N16 O3 -","4","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.0661","0.0589","","","0.1713","0.1749","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026900","12.5909","0.0005","16.0545","0.0006","16.6187","0.0006","81.534","0.003","74.721","0.003","80.6","0.003","3177.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H98 Cl6 N8 O4 -","- C66 H98 Cl6 N8 O4 -","- C132 H196 Cl12 N16 O8 -","2","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.1119","0.0638","","","0.1756","0.188","","","","","","0.915","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026901","6.702","0.0018","16.936","0.004","13.275","0.004","90","","90.508","0.006","90","","1506.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F2 N O3 -","- C16 H21 F2 N O3 -","- C64 H84 F8 N4 O12 -","4","1","","Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh","Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2","Journal of Organic Chemistry","2012","77","","991","998","10.1021/jo2022845","","","0.71073","MoKα","","0.1157","0.0584","","","0.0899","0.1049","","","","","","0.93","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026902","11.428","0.003","24.352","0.006","10.474","0.002","90","","90","","90","","2914.9","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H19 F2 N O3 -","- C15 H19 F2 N O3 -","- C120 H152 F16 N8 O24 -","8","1","","Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh","Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2","Journal of Organic Chemistry","2012","77","","991","998","10.1021/jo2022845","","","0.71073","MoKα","","0.0658","0.0498","","","0.1134","0.1194","","","","","","1.149","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026903","12.6177","0.0007","14.0998","0.0008","20.0716","0.001","85.747","0.003","89.306","0.003","69.962","0.003","3345.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","4","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","1.54178","CuKα","","0.063","0.0467","","","0.1162","0.1269","","","","","","1.031","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026904","5.5789","0.0003","11.6219","0.0006","13.0202","0.0006","94.998","0.003","92.49","0.003","98.515","0.003","830.35","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C36 H60 O6 -","2","1","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","1.54178","CuKα","","0.0577","0.0508","","","0.1325","0.1398","","","","","","1.037","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026905","12.4712","0.0003","12.558","0.0003","15.8397","0.0004","90","","96.244","0.001","90","","2465.99","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Br2 N2 O3 -","- C26 H26 Br2 N2 O3 -","- C104 H104 Br8 N8 O12 -","4","1","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","0.71073","MoKα","","0.0642","0.0398","","","0.0945","0.1043","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026906","7.9944","0.0011","6.2207","0.0009","14.801","0.002","90","","103.384","0.002","90","","716.07","0.17","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C32 H24 Br2 N2 O6 -","2","1","","Liang-Qiu Lu; Zhi-Hui Ming; Jing An; Chao Li; Jia-Rong Chen; Wen-Jing Xiao","Enantioselective Cascade Reactions of Stable Sulfur Ylides and Nitroolefins through an Axial-to-Central Chirality Transfer Strategy","Journal of Organic Chemistry","2012","77","","1072","1080","10.1021/jo202324f","","","0.71073","MoKα","","0.0527","0.0404","","","0.0959","0.1016","","","","","","1.018","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026907","7.5","0.0015","10.077","0.002","12.947","0.003","73.78","0.03","84.08","0.03","80.89","0.03","925.9","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","12-(4-Chlorobenzoyl)-2-methylbenzo[f]pyrido[1,2-a]indole-6, 11-dione","","- C24 H14 Cl N O3 -","- C24 H14 Cl N O3 -","- C48 H28 Cl2 N2 O6 -","2","1","","Yun Liu; Jin-Wei Sun","Copper(II)-Catalyzed Synthesis of Benzo[f]pyrido[1,2-a]indole-6,11-dione Derivatives via Naphthoquinone Difunctionalization Reaction","Journal of Organic Chemistry","2012","77","","1191","1197","10.1021/jo2023312","","","0.71073","MoKα","","0.0784","0.0489","","","0.1131","0.1237","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026908","10.6924","0.0007","12.4945","0.0008","18.4352","0.0012","102.594","0.0007","96.5551","0.0008","96.1075","0.0007","2365.9","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H63 Cl2 F3 N3 O4 P Pd S -","- C47 H63 Cl2 F3 N3 O4 P Pd S -","- C94 H126 Cl4 F6 N6 O8 P2 Pd2 S2 -","2","1","","Bennett J. Tardiff; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Rational and Predictable Chemoselective Synthesis of Oligoamines via Buchwald-Hartwig Amination of (Hetero)Aryl Chlorides Employing Mor-DalPhos","Journal of Organic Chemistry","2012","77","","1056","1071","10.1021/jo202358p","","","0.71073","MoKα","","0.0327","0.0308","","","0.0843","0.0888","","","","","","1.066","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026909","10.2665","0.0006","11.0209","0.0006","12.1446","0.0007","67.6814","0.0007","81.459","0.0007","79.9256","0.0007","1246.48","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 N O P -","- C30 H42 N O P -","- C60 H84 N2 O2 P2 -","2","1","","Bennett J. Tardiff; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Rational and Predictable Chemoselective Synthesis of Oligoamines via Buchwald-Hartwig Amination of (Hetero)Aryl Chlorides Employing Mor-DalPhos","Journal of Organic Chemistry","2012","77","","1056","1071","10.1021/jo202358p","","","0.71073","MoKα","","0.0542","0.0437","","","0.116","0.1232","","","","","","1.042","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026910","30.931","0.006","7.4285","0.0013","14.506","0.003","90","","113.436","0.002","90","","3058.1","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl N4 O2 -","- C16 H13 Cl N4 O2 -","- C128 H104 Cl8 N32 O16 -","8","1","","Melissa L. McIntosh; Ryne C. Johnston; Ommidala Pattawong; Bradley O. Ashburn; Michael R. Naffziger; Paul Ha-Yeon Cheong; Rich G. Carter","Synthesis and Computational Analysis of Densely Functionalized Triazoles Using o-Nitrophenylalkynes","Journal of Organic Chemistry","2012","77","","1101","1112","10.1021/jo202467k","","","0.71073","MoKα","","0.0709","0.0505","","","0.1203","0.1331","","","","","","1.001","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026911","9.3017","0.0007","9.7642","0.0007","21.914","0.0016","90","","92.503","0.001","90","","1988.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C92 H72 N16 O16 -","4","1","","Melissa L. McIntosh; Ryne C. Johnston; Ommidala Pattawong; Bradley O. Ashburn; Michael R. Naffziger; Paul Ha-Yeon Cheong; Rich G. Carter","Synthesis and Computational Analysis of Densely Functionalized Triazoles Using o-Nitrophenylalkynes","Journal of Organic Chemistry","2012","77","","1101","1112","10.1021/jo202467k","","","0.71073","MoKα","","0.0439","0.0373","","","0.095","0.1003","","","","","","1.027","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026912","23.192","0.005","9.251","0.0019","21.285","0.004","90","","112.12","0.03","90","","4230.6","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H30 O2 -","- C26.5 H30 O2 -","- C212 H240 O16 -","8","2","","Sarah J. Ryan; Andreas Stasch; Michael N. Paddon-Row; David W. Lupton","Synthetic and Quantum Mechanical Studies into theN-Heterocyclic Carbene Catalyzed (4 + 2) Cycloaddition","Journal of Organic Chemistry","2012","77","","1113","1124","10.1021/jo202500k","","","0.7107","Synchrotron","","0.0621","0.0482","","","0.1221","0.1327","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026913","18.913","0.011","6.478","0.004","22.834","0.013","90","","110.889","0.007","90","","2614","3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H34 N2 O2 S -","- C27 H34 N2 O2 S -","- C108 H136 N8 O8 S4 -","4","1","","Zhihua Liu; Sukeshi J. Mehta; Kwang-Soo Lee; Bryan Grossman; Hongchang Qu; Xuyuan Gu; Gary S. Nichol; Victor J. Hruby","Thio-Claisen Rearrangement Used in Preparing Anti-β-Functionalized γ,δ-Unsaturated Amino Acids: Scope and Limitations","Journal of Organic Chemistry","2012","77","","1289","1300","10.1021/jo201753q","","","0.71073","MoKα","","0.1276","0.066","","","0.1528","0.1939","","","","","","1.005","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026914","16.2577","0.0012","10.796","0.0009","7.2438","0.0006","90","","93.455","0.008","90","","1269.11","0.18","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F3 N3 O2 -","- C13 H10 F3 N3 O2 -","- C52 H40 F12 N12 O8 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0416","0.0387","","","0.1028","0.1046","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026915","7.1571","0.0004","8.4227","0.0004","13.3083","0.0008","98.186","0.005","100.888","0.005","96.356","0.004","771.93","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br F3 N O5 -","- C13 H13 Br F3 N O5 -","- C26 H26 Br2 F6 N2 O10 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0288","0.028","","","0.0744","0.0748","","","","","","1.062","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026916","9.2599","0.0013","9.4971","0.0015","9.9419","0.0016","70.159","0.015","62.394","0.015","83.144","0.013","728","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Br F3 N O4 -","- C13 H11 Br F3 N O4 -","- C26 H22 Br2 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.0535","0.052","","","0.1478","0.1512","","","","","","1.097","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026917","9.5898","0.0011","15.653","0.0015","11.0541","0.0013","90","","115.637","0.014","90","","1496","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F3 N O5 -","- C14 H14 F3 N O5 -","- C56 H56 F12 N4 O20 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.0406","0.0355","","","0.0888","0.093","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026918","4.499","0.002","11.188","0.006","13.464","0.012","91.14","0.08","97.51","0.07","90.08","0.04","671.8","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C28 H24 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.1224","0.1029","","","0.3198","0.3727","","","","","","1.757","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026919","11.6332","0.0004","7.956","0.0002","15.6028","0.0004","90","","111.752","0.004","90","","1341.27","0.08","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br F3 N O3 -","- C13 H9 Br F3 N O3 -","- C52 H36 Br4 F12 N4 O12 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.034","0.0326","","","0.0857","0.0863","","","","","","1.155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026920","7.856","0.0014","8.957","0.002","10.209","0.003","91.807","0.019","98.09","0.018","101.202","0.017","696.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C28 H24 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.1346","0.1165","","","0.3485","0.3692","","","","","","1.491","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026921","21.56","0.0016","14.2595","0.0016","29.844","0.002","90","","107.941","0.008","90","","8728.9","1.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 F6 N O2 S -","- C14 H9 F6 N O2 S -","- C336 H216 F144 N24 O48 S24 -","24","3","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0613","0.0533","","","0.1333","0.1386","","","","","","1.08","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026922","12.1098","0.0013","5.6685","0.0005","20.055","0.002","90","","99.927","0.011","90","","1356.1","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O3 S -","- C13 H12 F3 N O3 S -","- C52 H48 F12 N4 O12 S4 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0376","0.0322","","","0.0803","0.0843","","","","","","1.051","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026923","22.4499","0.0007","11.9982","0.0003","25.5576","0.0008","90","","107.797","0.004","90","","6554.7","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 N6 O10 -","- C72 H90 N6 O10 -","- C288 H360 N24 O40 -","4","1","","Jayaraman Dessingou; Khatija Tabbasum; Atanu Mitra; Vijaya Kumar Hinge; Chebrolu P. Rao","Lower Rim 1,3-Di{4-antipyrine}amide Conjugate of Calix[4]arene: Synthesis, Characterization, and Selective Recognition of Hg2+ and Its Sensitivity toward Pyrimidine Bases","Journal of Organic Chemistry","2012","77","","1406","1413","10.1021/jo2022372","","","0.71073","MoKα","","0.0761","0.046","","","0.0855","0.0988","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026924","8.2737","0.0003","11.8237","0.0004","12.6735","0.0004","72.212","0.002","81.277","0.002","83.828","0.002","1164.4","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N3 O3 S -","- C29 H21 N3 O3 S -","- C58 H42 N6 O6 S2 -","2","1","","Rajendran Suresh; Shanmugam Muthusubramanian; Rajendran Senthilkumaran; Govindaswamy Manickam","SnCl2-Catalyzed Selective Atom Economic Imino Diels-Alder Reaction: Synthesis of 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)quinolines","Journal of Organic Chemistry","2012","77","","1468","1476","10.1021/jo202256z","","","0.71073","MoKα","","0.0688","0.0465","","","0.1309","0.1496","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026925","10.927","0.003","12.053","0.003","16.003","0.004","90","","90","","90","","2107.6","0.9","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.0513","0.0369","","","0.0805","0.0877","","","","","","1.036","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026926","11.063","0.003","11.841","0.003","15.632","0.004","106.815","0.013","100.455","0.013","97.499","0.012","1890.9","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H44 O2 -","- C50 H44 O2 -","- C100 H88 O4 -","2","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.1073","0.0629","","","0.1642","0.2039","","","","","","0.951","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026927","12.561","0.01","14.46","0.011","14.835","0.012","90","","90","","90","","2695","4","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C38 H30 O3 -","- C38 H30 O3 -","- C152 H120 O12 -","4","0.5","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.0831","0.0475","","","0.1051","0.1228","","","","","","1.021","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026928","11.98","0.009","11.128","0.008","12.993","0.01","90","","100.959","0.008","90","","1701","2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H33 Cl5 O3 -","- C40 H33 Cl5 O3 -","- C80 H66 Cl10 O6 -","2","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.2018","0.1116","","","0.2812","0.3564","","","","","","0.999","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026929","15.19","0.02","10.119","0.012","34.09","0.04","90","","99.48","0.02","90","","5168","11","296","2","296","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C66 H66 O6 -","- C66 H66 O6 -","- C264 H264 O24 -","4","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.2079","0.0756","","","0.1618","0.2341","","","","","","0.893","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026930","18.0254","0.0006","18.0254","0.0006","11.0413","0.0005","90","","90","","120","","3106.9","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C71 H57 Br3 N6 O6 -","- C71.01 H45 Br3 N6 O6 -","- C142.02 H90 Br6 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0508","0.0365","","","0.0912","0.0999","","","","","","1.026","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026931","8.828","0.0002","9.828","0.0002","12.638","0.0003","87.045","0.0012","70.963","0.0013","87.291","0.0014","1034.61","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Cl N2 O2 -","- C26 H19 Cl N2 O2 -","- C52 H38 Cl2 N4 O4 -","2","1","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.032","0.0302","","","0.0788","0.0804","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026932","17.9406","0.0006","17.9406","0.0006","10.8992","0.0005","90","","90","","120","","3038.1","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C71 H57 Cl3 N6 O6 -","- C71.01 H45 Cl3 N6 O6 -","- C142.02 H90 Cl6 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0659","0.0532","","","0.1456","0.1577","","","","","","0.969","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026933","17.9054","0.0008","17.9054","0.0008","11.0374","0.0007","90","","90","","120","","3064.5","0.3","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C74 H66 N6 O6 -","- C74.01 H54 N6 O6 -","- C148.02 H108 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0753","0.0557","","","0.1472","0.1611","","","","","","1.024","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026934","17.6734","0.0006","17.6734","0.0006","11.0022","0.0004","90","","90","","120","","2976.12","0.18","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C70.5 H57 Cl3 N6 O6 -","- C69.51 H54 Cl3.03 N6 O6 -","- C139.02 H108 Cl6.06 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0674","0.0424","","","0.0986","0.1125","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026935","11.313","0.0003","6.289","0.0002","17.3747","0.0006","90","","92.826","0.003","90","","1234.66","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O7 -","- C26 H26 N2 O7 -","- C52 H52 N4 O14 -","2","1","","Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider","A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone","Journal of Organic Chemistry","2012","77","","1477","1488","10.1021/jo202330b","","","0.71073","MoKα","","0.088","0.0347","","","0.0474","0.0544","","","","","","0.823","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026936","9.074","0.0003","11.6141","0.0003","21.7822","0.0006","90","","90","","90","","2295.55","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C96 H128 N8 O20 -","4","1","","Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider","A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone","Journal of Organic Chemistry","2012","77","","1477","1488","10.1021/jo202330b","","","0.71073","MoKα","","0.0971","0.0373","","","0.0484","0.0545","","","","","","0.672","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026937","11.8147","0.0003","13.0024","0.0003","14.156","0.0003","90","","90","","90","","2174.64","0.09","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 F O3 -","- C14 H13 F O3 -","- C112 H104 F8 O24 -","8","1","","Michael T. Scerba; Steven Bloom; Nathan Haselton; Maxime Siegler; Jake Jaffe; Thomas Lectka","Interaction of a C-F Bond with the π-System of a C=C Bond or ""Head On"" with a Proximate C-H Bond","Journal of Organic Chemistry","2012","77","","1605","1609","10.1021/jo2024152","","","0.71073","MoKα","","0.0557","0.0393","","","0.0957","0.1012","","","","","","1.063","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026938","17.04","0.02","8.094","0.012","26.81","0.03","90","","90","","90","","3698","8","293.1","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C128 H176 O72 -","8","2","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","","0.7107","MoKα","","","0.1","","","","0.064","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026939","8.8325","0.0004","14.1648","0.0004","14.7778","0.0005","90","0","99.154","0.005","90","0.005","1825.31","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","x-ray","0.71073","MoKα","","0.1516","0.0749","","","0.2018","0.223","","","","","","1.045","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026940","8.0546","0.0007","8.0546","0.0007","32.476","0.003","90","","90","","90","","2106.9","0.3","173","2","173","2","","","","","","","","3","P 43","P 4cw","78","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","","Hong-Xia Xu; Su-Fang Cheng; Xiu-Jie Yang; Bin Chen; Yue Chen; Li-Ping Zhang; Li-Zhu Wu; Weihai Fang; Chen-Ho Tung; Richard G. Weiss","Enhancement of Diastereoselectivity in Photodimerization of Alkyl 2-Naphthoates with Chiral Auxiliaries via Inclusion within γ-Cyclodextrin Cavities","Journal of Organic Chemistry","2012","77","","1685","1692","10.1021/jo2020328","","","1.54186","CuKα","","0.0444","0.0391","","","0.09","0.0993","","","","","","1.1","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026941","5.5058","0.0019","11.098","0.004","35.318","0.012","90","","90","","90","","2158","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O10 -","- C20 H25 N O10 -","- C80 H100 N4 O40 -","4","1","","Akiko Baba; Tadao Yoshioka","Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids","Journal of Organic Chemistry","2012","77","","1675","1684","10.1021/jo202123s","","","0.71075","MoKα","","","0.051","","","","0.08","","","","","","0.989","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026942","8.655","0.003","11.543","0.004","12.702","0.004","63.88","0.03","70.64","0.03","89.42","0.03","1061.1","0.7","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C20 H25 N O10 -","- C20 H25 N O10 -","- C40 H50 N2 O20 -","2","2","","Akiko Baba; Tadao Yoshioka","Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids","Journal of Organic Chemistry","2012","77","","1675","1684","10.1021/jo202123s","","","0.71075","MoKα","","","0.068","","","","0.114","","","","","","1.07","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026943","22.266","0.002","8.883","0.0009","9.3118","0.001","90","","90","","90","","1841.8","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0583","0.0503","","","0.1255","0.1313","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026944","8.3438","0.0012","12.5908","0.0017","19.305","0.003","90","","90","","90","","2028.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N S -","- C24 H29 N S -","- C96 H116 N4 S4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0902","0.0494","","","0.0931","0.1057","","","","","","0.848","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026945","7.3321","0.0009","15.2253","0.0018","18.502","0.002","90","","90","","90","","2065.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N S -","- C24 H29 N S -","- C96 H116 N4 S4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0997","0.0508","","","0.0958","0.1101","","","","","","0.812","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026946","8.5449","0.0009","8.6216","0.0008","27.256","0.003","90","","90","","90","","2008","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O -","- C26 H27 N O -","- C104 H108 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.072","0.042","","","0.0878","0.0952","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026947","8.1652","0.0008","8.6326","0.0009","27.024","0.003","90","","90","","90","","1904.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0565","0.0463","","","0.1135","0.1186","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026948","13.42","0.002","7.6711","0.0013","25.275","0.004","90","","90","","90","","2602","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0743","0.0503","","","0.1101","0.1209","","","","","","1.052","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026949","22.137","0.012","7.901","0.004","15.787","0.009","90","","104.305","0.007","90","","2676","3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0736","0.0674","","0.1671","0.1601","0.1671","","","","","","0.9815","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026950","11.38","0.002","16.27","0.003","7.2667","0.0013","90","","98.752","0.002","90","","1329.8","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N -","- C18 H13 N -","- C72 H52 N4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0604","0.0433","","","0.1123","0.1254","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026951","8.217","0.003","9.041","0.003","16.898","0.006","90","","94.545","0.004","90","","1251.4","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F -","- C17 H13 F -","- C68 H52 F4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0728","0.0508","","","0.1337","0.1544","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026952","8.223","0.0014","8.9887","0.0015","17.94","0.003","90","","90","","90","","1326","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0432","0.0373","","","0.0831","0.0858","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026953","16.582","0.003","9.6251","0.0016","17.605","0.003","90","","111.114","0.002","90","","2621.2","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl -","- C17 H13 Cl -","- C136 H104 Cl8 -","8","2","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0955","0.0662","","","0.1856","0.2135","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026954","8.1895","0.0014","24.346","0.004","7.5266","0.0013","90","","117.113","0.002","90","","1335.8","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0791","0.0489","","","0.1107","0.1272","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026955","9.6439","0.0004","19.2458","0.0009","9.3848","0.0006","90","","101.658","0.005","90","","1705.93","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-trifluoro-N-(8-methoxy-3-methyl-5-oxo-1,2,3,5,5a,6_ -hexahydroindeno[1,2-e]indol-5a-yl)acetamide","","- C19 H17 F3 N2 O3 -","- C19 H17 F3 N2 O3 -","- C76 H68 F12 N8 O12 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.1064","0.0398","","","0.074","0.0832","","","","","","0.791","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026956","18.214","0.008","9.281","0.005","9.715","0.005","90","","104.9","0.03","90","","1587","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5-methoxy-1-oxo-2-(2,2,2-trifluoroacetamido)-2,3-dihydro -1H-indene-2-carboxylate","","- C15 H14 F3 N O5 -","- C15 H14 F3 N O5 -","- C60 H56 F12 N4 O20 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0926","0.0483","","","0.1201","0.1537","","","","","","1.063","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026957","9.3989","0.0008","9.6211","0.0006","10.509","0.001","105.856","0.007","101.153","0.008","102.494","0.006","859.63","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2,2-trifluoro-N-(8-methoxy-5-oxo-1,2,3,5,5a,6_ -hexahydroindeno[1,2-e]indol-5a-yl)acetamide","","- C18 H17 F3 N2 O4 -","- C18 H17 F3 N2 O4 -","- C36 H34 F6 N4 O8 -","2","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0681","0.0404","","","0.0846","0.0898","","","","","","0.877","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026958","7.0943","0.0007","14.9317","0.0014","18.0186","0.0017","90","","90","","90","","1908.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-tert-butyl 3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)_ -2-oxopyrrolidine-1-carboxylate","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0592","0.0451","","","0.114","0.1189","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026959","5.4247","0.0002","26.0447","0.001","7.076","0.0003","90","","105.793","0.004","90","","961.99","0.07","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","imidazylsulfonylazide hydrogensulfate","imidazylsulfonylazide hydrogensulfate","","- C3 H5 N5 O6 S2 -","- C3 H5 N5 O6 S2 -","- C12 H20 N20 O24 S8 -","4","1","","Niko Fischer; Ethan D. Goddard-Borger; Robert Greiner; Thomas M. Klapötke; Brian W. Skelton; Jörg Stierstorfer","Sensitivities of Some Imidazole-1-sulfonyl Azide Salts","Journal of Organic Chemistry","2012","77","","1760","1764","10.1021/jo202264r","","","0.71073","MoKα","","0.0286","0.0255","","","0.0656","0.0667","","","","","","1.054","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026960","7.4067","0.0002","9.2983","0.0003","11.983","0.0003","90","","100.049","0.003","90","","812.61","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Cl N5 O2 S -","- C3 H4 Cl N5 O2 S -","- C12 H16 Cl4 N20 O8 S4 -","4","1","","Niko Fischer; Ethan D. Goddard-Borger; Robert Greiner; Thomas M. Klapötke; Brian W. Skelton; Jörg Stierstorfer","Sensitivities of Some Imidazole-1-sulfonyl Azide Salts","Journal of Organic Chemistry","2012","77","","1760","1764","10.1021/jo202264r","","","0.71073","MoKα","","0.0462","0.0291","","","0.0771","0.0813","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026961","9.677","0.004","11.802","0.004","12.736","0.005","90","","101.324","0.005","90","","1426.2","0.9","293.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Rupam Sarma; Manas M. Sarmah; Dipak Prajapati","Microwave-Promoted Catalyst- and Solvent-Free Aza-Diels-Alder Reaction of Aldimines with 6-[2-(Dimethylamino)vinyl]-1,3-dimethyluracil","Journal of Organic Chemistry","2012","77","","2018","2023","10.1021/jo202346w","","","0.71075","MoKα","","","0.0729","","","","0.0673","","","","","","7.863","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026962","15.3179","0.0004","11.0106","0.0002","21.8847","0.0004","90","","104.525","0.001","90","","3573.09","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H52 N2 O12 S4 -","- C29 H52 N2 O12 S4 -","- C116 H208 N8 O48 S16 -","4","1","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","","1.54178","CuKα","","0.0331","0.0314","","","0.0829","0.0841","","","","","","1.031","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026963","11.5578","0.0003","17.3536","0.0004","13.7567","0.0004","90","","104.737","0.001","90","","2668.41","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N2 O2 S4 -","- C23 H40 N2 O2 S4 -","- C92 H160 N8 O8 S16 -","4","1","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","x-ray","0.71073","MoKα","","0.1283","0.0755","","","0.1732","0.2069","","","","","","1.037","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026964","15.4577","0.0015","17.4225","0.0017","13.5101","0.0014","90","","90","","90","","3638.4","0.6","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H58 N2 O12 S4 -","- C27 H58 N2 O12 S4 -","- C108 H232 N8 O48 S16 -","4","0.5","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","","0.71073","MoKα","","0.0561","0.0381","","","0.0867","0.0975","","","","","","1.042","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026965","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Toyoharu Kobayashi; Futoshi Hasegawa; Yoshikatsu Hirose; Katsunori Tanaka; Hajime Mori; Shigeo Katsumura","Stereocontrolled Synthesis of Substituted Chiral Piperidines via One-Pot Asymmetric 6π-Azaelectrocyclization: Asymmetric Syntheses of (-)-Dendroprimine, (+)-7-Epidendroprimine, (+)-5-Epidendroprimine, and (+)-5,7-Epidendroprimine","Journal of Organic Chemistry","2012","77","","1812","1832","10.1021/jo202350z","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4026966","10.8038","0.001","23.985","0.002","8.7832","0.0008","90","","102.021","0.001","90","","2226.1","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojm03","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0731","0.0452","","","0.1044","0.1189","","","","","","1.021","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026967","11.3933","0.0012","9.578","0.001","20.154","0.002","90","","96.663","0.002","90","","2184.5","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","frojm06","","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0869","0.0458","","","0.0879","0.1023","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026968","9.8878","0.0006","11.5836","0.0007","12.5674","0.0008","76.497","0.001","85.255","0.001","66.263","0.001","1281.13","0.14","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","frojm08","","","- C30 H30 O8 -","- C30 H30 O8 -","- C60 H60 O16 -","2","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0745","0.0519","","","0.1343","0.1516","","","","","","1.027","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026969","9.0885","0.0014","9.8939","0.0015","14.454","0.002","85.558","0.003","79.432","0.003","77.598","0.003","1246.9","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","frojm09","","","- C27 H21 F3 O9 S -","- C27 H21 F3 O9 S -","- C54 H42 F6 O18 S2 -","2","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.1319","0.0583","","","0.1123","0.1494","","","","","","0.96","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026970","15.389","0.002","4.8134","0.0005","34.523","0.005","90","","90.643","0.008","90","","2557.1","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H30 N2 O2 S3 -","- C26 H30 N2 O2 S3 -","- C104 H120 N8 O8 S12 -","4","1","","Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali","Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks","Journal of Organic Chemistry","2012","77","","2041","2046","10.1021/jo202412t","","x-ray","0.71073","MoKα","","","0.0402","","","","0.071","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026971","7.7287","0.0007","12.9149","0.0008","15.251","0.001","66.888","0.006","87.862","0.006","86.072","0.007","1396.73","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O2 S3 -","- C28 H30 N4 O2 S3 -","- C56 H60 N8 O4 S6 -","2","1","","Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali","Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks","Journal of Organic Chemistry","2012","77","","2041","2046","10.1021/jo202412t","","x-ray","0.71073","MoKα","","","0.065","","","","0.1639","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026972","10.477","0.002","15.019","0.0018","13.2317","0.0014","90","","90","","90","","2082.1","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3a,6,7a-Tetramethyltetrahydro-3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","1.5418","CuKα","","0.0654","0.0502","","","0.1249","0.1368","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026973","14.787","0.005","6.7567","0.0016","13.309","0.005","90","","90","","90","","1329.7","0.7","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(4-Bromophenyl)-6,7a-dimethyltetrahydro -3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C14 H15 Br O4 -","- C14 H15 Br O4 -","- C56 H60 Br4 O16 -","4","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","0.56085","AgKα","","0.0898","0.0416","","","0.0724","0.0839","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026974","13.809","0.003","17.516","0.003","20.801","0.004","90","","95.313","0.004","90","","5009.7","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cl2 N12 O12 -","- C44 H30 Cl2 N12 O12 -","- C176 H120 Cl8 N48 O48 -","4","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1434","0.0966","","","0.2366","0.2598","","","","","","1.254","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026975","12.783","0.005","27.232","0.011","13.362","0.006","90","","103.859","0.005","90","","4516","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 N12 O14 -","- C32 H22 Cl2 N12 O14 -","- C128 H88 Cl8 N48 O56 -","4","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1001","0.078","","","0.215","0.2326","","","","","","1.084","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026976","32.062","0.009","12.597","0.003","26.339","0.008","90","","125.74","0.003","90","","8635","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H17 Cl3 F10 N6 O12 -","- C37 H17 Cl3 F10 N6 O12 -","- C296 H136 Cl24 F80 N48 O96 -","8","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1177","0.0962","","","0.2557","0.2684","","","","","","1.611","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026977","9.1999","0.0018","16.063","0.003","19.924","0.004","90","","90","","90","","2944.3","1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C22 H18 Cl4 N6 O6 -","- C22 H18 Cl4 N6 O6 -","- C88 H72 Cl16 N24 O24 -","4","0.5","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.0375","0.0365","","","0.0893","0.0902","","","","","","1.083","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026978","7.782","0.0016","14.283","0.003","19.997","0.004","93.94","0.03","95.73","0.03","99.62","0.03","2172.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 F8 N O10 -","- C44 H47 F8 N O10 -","- C88 H94 F16 N2 O20 -","2","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1081","0.0843","","","0.175","0.1894","","","","","","1.202","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026979","20.247","0.007","7.55","0.003","18.304","0.01","90","","120.519","0.003","90","","2410.4","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","1","","Ru-Long Yan; Hao Yan; Chao Ma; Zhi-Yong Ren; Xi-Ai Gao; Guo-Sheng Huang; Yong-Min Liang","Cu(I)-Catalyzed Synthesis of Imidazo[1,2-a]pyridines from Aminopyridines and Nitroolefins Using Air as the Oxidant","Journal of Organic Chemistry","2012","77","","2024","2028","10.1021/jo202447p","","","0.71073","MoKα","","0.0739","0.0505","","","0.1188","0.132","","","","","","1.03","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026980","18.0934","0.0003","8.1573","0.0002","21.2642","0.0004","90","","99.461","0.002","90","","3095.76","0.11","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C152 H160 N16 -","8","1","","Rishikesh Narayan; Roland Fröhlich; Ernst-Ulrich Würthwein","Synthesis of Pyrroles through a 4π-Electrocyclic Ring-Closure Reaction of 1-Azapentadienyl Cations","Journal of Organic Chemistry","2012","77","","1868","1879","10.1021/jo202477h","","","0.71073","MoKα","","0.06","0.0515","","","0.1299","0.1381","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026981","15.4491","0.0018","15.4491","0.0018","11.464","0.003","90","","90","","120","","2369.6","0.7","200","2","200","2","","","","","","","","5","P -3","-P 3","147","","","","- C45 H39 I3 N5 O9 -","- C45 H39 I3 N5 O9 -","- C90 H78 I6 N10 O18 -","2","0.333333","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.0813","0.0489","","","0.1308","0.1484","","","","","","0.839","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026982","15.421","0.0009","15.421","0.0009","11.4661","0.0016","90","","90","","120","","2361.4","0.4","200","2","200","2","","","","","","","","5","P -3","-P 3","147","","","","- C45 H39 Cl3 N5 O9 -","- C45 H39 Cl3 N5 O9 -","- C90 H78 Cl6 N10 O18 -","2","0.333333","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.1173","0.0561","","","0.1375","0.1571","","","","","","0.989","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026983","15.3378","0.0005","15.3378","0.0005","11.3656","0.0003","90","","90","","120","","2315.52","0.12","150","0.1","150","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C92 H78 Br6 Cl1.98 N10 O18 -","- C92 H78 Br6 Cl1.98 N10 O18 -","- C92 H78 Br6 Cl1.98 N10 O18 -","1","0.166667","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.0511","0.0389","","","0.1008","0.1061","","","","","","1.069","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026984","15.4444","0.0007","15.8126","0.0005","16.7857","0.0009","90","","90","","90","","4099.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C168 H176 N16 O48 S8 -","8","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.1272","0.0655","","","0.1244","0.1451","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026985","16.9652","0.0008","11.2859","0.0005","10.6969","0.0005","90","","90","","90","","2048.11","0.16","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C84 H88 N8 O24 S4 -","4","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.0453","0.0395","","","0.0985","0.1022","","","","","","1.038","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026986","10.5604","0.0008","13.471","0.001","16.7672","0.0012","90.305","0.002","91.642","0.002","102.887","0.002","2324.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Cl2 N2 O6 S -","- C18 H30 Cl2 N2 O6 S -","- C72 H120 Cl8 N8 O24 S4 -","4","2","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.0822","0.0511","","","0.118","0.1332","","","","","","1.039","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026987","15.6955","0.0015","11.4214","0.001","24.763","0.002","90","","90","","90","","4439.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H28 O2 Si -","- C25 H28 O2 Si -","- C200 H224 O16 Si8 -","8","1","","Chengyu Wang; Yifeng Chen; Xin Xie; Jun Liu; Yuanhong Liu","Gold-Catalyzed Furan/Yne Cyclizations for the Regiodefined Assembly of Multisubstituted Protected 1-Naphthols","Journal of Organic Chemistry","2012","77","","1915","1921","10.1021/jo202541p","","","0.71073","MoKα","","0.0685","0.0533","","","0.1261","0.1354","","","","","","1.074","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026988","8.8063","0.0007","12.8761","0.001","19.984","0.0016","90","","90","","90","","2266","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O2 Pd -","- C24 H30 N2 O2 Pd -","- C96 H120 N8 O8 Pd4 -","4","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0165","0.016","","","0.0416","0.0419","","","","","","1.066","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4026989","12.1379","0.0012","7.2271","0.0007","13.099","0.0013","90","","96.2841","0.0015","90","","1142.16","0.19","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O2 Pd -","- C25 H32 N2 O2 Pd -","- C50 H64 N4 O4 Pd2 -","2","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0219","0.0206","","","0.052","0.0528","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4026990","13.4182","0.0009","5.8548","0.0004","15.0836","0.001","90","","103.983","0.0007","90","","1149.87","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O2 Pd -","- C27 H28 N2 O2 Pd -","- C54 H56 N4 O4 Pd2 -","2","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0239","0.0231","","","0.0606","0.0613","","","","","","1.058","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026991","8.4643","0.0008","15.585","0.0014","15.6693","0.0014","61.0011","0.0009","81.5729","0.0011","75.0436","0.001","1746.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 B O2 -","- C44 H43 B O2 -","- C88 H86 B2 O4 -","2","1","","Guang-Liang Fu; Hong-Yu Zhang; Yi-Qiao Yan; Cui-Hua Zhao","p-Quaterphenyls Laterally Substituted with a Dimesitylboryl Group: A Promising Class of Solid-State Blue Emitters","Journal of Organic Chemistry","2012","77","","1983","1990","10.1021/jo202574n","","","0.71069","MoKα","","0.0951","0.0608","","","0.1769","0.2025","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026992","11.739","0.008","15.319","0.01","28.17","0.02","90","","97.721","0.008","90","","5020","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 N O -","- C34 H25 N O -","- C272 H200 N8 O8 -","8","1","","Xiang-Chuan Wang; Ru-Long Yan; Mei-Jin Zhong; Yong-Min Liang","Bi(III)-Catalyzed Intermolecular Reactions of (Z)-Pent-2-en-4-yl Acetates with Ethynylarenes for the Construction of Multisubstituted Fluorene Skeletons through a Cascade Electrophilic Addition/Cycloisomerization Sequence","Journal of Organic Chemistry","2012","77","","2064","2068","10.1021/jo202607z","","","0.71073","MoKα","","0.2166","0.0815","","","0.1801","0.2483","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026993","31.539","0.003","3.8967","0.0004","18.5813","0.0017","90","","114.991","0.005","90","","2069.8","0.4","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Br2 O5 -","- C8 H6 Br2 O5 -","- C64 H48 Br16 O40 -","8","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0433","0.0381","","","0.1016","0.1061","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026994","11.3754","0.0003","18.5764","0.0006","10.7773","0.0002","90","","105.779","0.002","90","","2191.58","0.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Br N O5 -","- C23 H20 Br N O5 -","- C92 H80 Br4 N4 O20 -","4","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0892","0.063","","","0.1571","0.174","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026995","8.7822","0.0002","10.8031","0.0002","10.989","0.0002","85.777","0.001","82.92","0.001","82.235","0.001","1023.42","0.04","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H16 Br N O5 -","- C21 H16 Br N O5 -","- C42 H32 Br2 N2 O10 -","2","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0551","0.0439","","","0.1135","0.1218","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026996","8.3538","0.0001","29.5716","0.0005","23.3724","0.0004","90","","91.021","0.001","90","","5772.89","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C31.25 H25 Br N O6 -","- C31.25 H25 Br N O6 -","- C250 H200 Br8 N8 O48 -","8","4","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.1092","0.0745","","","0.1753","0.1917","","","","","","1.095","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026997","20.919","0.0009","24.1923","0.0016","15.2145","0.0007","90","","121.565","0.003","90","","6560.5","0.6","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C63.5 H47 N2 O12.5 -","- C63.5 H47 N2 O12.5 -","- C254 H188 N8 O50 -","4","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.1101","0.0967","","","0.2725","0.2931","","","","","","1.304","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026998","10.1338","0.0009","10.1569","0.0009","16.9149","0.0015","90","","90","","90","","1741","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Eri Kanno; Kenichi Yamanoi; Shunsuke Koya; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito","[5 + 2] Cycloaddition Reaction of 2-Vinylaziridines and Sulfonyl Isocyanates. Synthesis of Seven-Membered Cyclic Ureas","Journal of Organic Chemistry","2012","77","","2142","2148","10.1021/jo201959a","","","0.71073","MoKα","","0.0376","0.0325","","","0.0729","0.0762","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026999","6.9197","0.0002","14.4321","0.0004","10.8204","0.0004","90","","100.536","0.003","90","","1062.37","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 I2 N O -","- C8 H11 I2 N O -","- C32 H44 I8 N4 O4 -","4","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.0345","0.0248","","","0.0407","0.044","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027000","7.9762","0.0002","13.5692","0.0005","14.1525","0.0005","90","","90","","90","","1531.73","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I2 N O3 -","- C11 H17 I2 N O3 -","- C44 H68 I8 N4 O12 -","4","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.0257","0.0227","","","0.0452","0.0463","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027001","5.8915","0.0004","6.4911","0.0004","8.4228","0.0005","107.971","0.006","101.168","0.006","105.691","0.006","281.14","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C11 H17 N O3 -","1","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.068","0.0473","","","0.092","0.1022","","","","","","1.026","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027002","7.5846","0.0007","5.833","0.0005","11.8172","0.0011","90","","90.213","0.002","90","","522.8","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Alphatriol","","","- C10 H16 O5 -","- C10 H16 O5 -","- C20 H32 O10 -","2","1","","Paresh M. Vadhadiya; Vedavati G. Puranik; C. V. Ramana","The Total Synthesis and Structural Revision of Stagonolide D","Journal of Organic Chemistry","2012","77","","2169","2175","10.1021/jo202138g","","","0.71073","MoKα","","0.0337","0.0305","","","0.0697","0.0713","","","","","","1.055","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027003","8.5066","0.0001","10.9081","0.0001","12.4869","0.0001","97.629","0.001","98.612","0.001","105.779","0.001","1083.96","0.02","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B O -","- C25 H27 B O -","- C50 H54 B2 O2 -","2","1","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0562","0.0478","","","0.128","0.1377","","","","","","1.025","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027004","17.0358","0.0004","17.6527","0.0005","18.1968","0.0006","74.203","0.002","70.754","0.002","88.57","0.002","4958.7","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H32 B N -","- C31 H32 B N -","- C248 H256 B8 N8 -","8","4","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0757","0.0549","","","0.1368","0.1516","","","","","","1.013","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027005","12.204","0.001","15.3764","0.0005","16.6166","0.0007","116.404","0.005","92.153","0.003","99.484","0.003","2732.9","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 B N -","- C35 H34 B N -","- C140 H136 B4 N4 -","4","2","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0713","0.0501","","","0.1184","0.1331","","","","","","1.01","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027006","9.569","0.002","13.299","0.003","17.327","0.004","90","","102.286","0.0011","90","","2154.5","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 B2 N2 -","- C56 H58 B2 N2 -","- C112 H116 B4 N4 -","2","0.5","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","0.7107","MoKα","","0.1265","0.0812","","","0.1957","0.2379","","","","","","1.095","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027007","37.6706","0.0014","8.0291","0.0005","21.1282","0.0005","90","","121.608","0.002","90","","5442.5","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 B2 Cl4 N2 -","- C62 H64 B2 Cl4 N2 -","- C248 H256 B8 Cl16 N8 -","4","0.5","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0732","0.0612","","","0.1593","0.1704","","","","","","1.041","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027008","9.2141","0.0002","11.7224","0.0003","14.3987","0.0004","90.686","0.001","101.238","0.001","92.383","0.001","1523.76","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37 B Cl2 N2 O -","- C36 H37 B Cl2 N2 O -","- C72 H74 B2 Cl4 N4 O2 -","2","1","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","0.71073","MoKα","","0.0801","0.0737","","","0.1825","0.1909","","","","","","1.04","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027009","12.0642","0.0006","12.2497","0.0008","18.74","0.001","90","","94.866","0.005","90","","2759.5","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 N4 O14 -","- C22 H34 Cl2 N4 O14 -","- C88 H136 Cl8 N16 O56 -","4","1","","Stefano Amatori; Gianluca Ambrosi; Mirco Fanelli; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Synthesis, Basicity, Structural Characterization, and Biochemical Properties of Two [(3-Hydroxy-4-pyron-2-yl)methyl]amine Derivatives Showing Antineoplastic Features.","Journal of Organic Chemistry","2012","77","","2207","2218","10.1021/jo202270j","","","0.71073","MoKα","","0.082","0.038","","","0.0742","0.0857","","","","","","0.907","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027010","7.871","0.002","8.087","0.003","10.307","0.004","72.08","0.03","67.16","0.03","76.62","0.02","570.6","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H13 Cl N O8 -","- C8 H13 Cl N O8 -","- C16 H26 Cl2 N2 O16 -","2","1","","Stefano Amatori; Gianluca Ambrosi; Mirco Fanelli; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Synthesis, Basicity, Structural Characterization, and Biochemical Properties of Two [(3-Hydroxy-4-pyron-2-yl)methyl]amine Derivatives Showing Antineoplastic Features.","Journal of Organic Chemistry","2012","77","","2207","2218","10.1021/jo202270j","","","0.71069","MoKα","","0.0868","0.0627","","","0.1673","0.1893","","","","","","1.032","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027011","8.7086","0.0005","11.9726","0.0006","12.5052","0.0007","93.149","0.003","105.062","0.003","100.435","0.003","1231.07","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H19 B N6 O3 S -","- C31 H19 B N6 O3 S -","- C62 H38 B2 N12 O6 S2 -","2","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.1436","0.0675","","","0.1534","0.1931","","","","","","1.03","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027012","28.6367","0.0011","10.6211","0.0005","16.0322","0.0004","90","","93.147","0.002","90","","4868.9","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H15 B N6 O3 S -","- C25 H15 B N6 O3 S -","- C200 H120 B8 N48 O24 S8 -","8","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.1381","0.065","","","0.1571","0.1847","","","","","","0.961","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027013","20.0996","0.0003","11.4689","0.0005","19.5158","0.0004","90","","90","","90","","4498.8","0.2","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25.5 H16 B Cl N6 O3 S -","- C25.5 H16 B Cl N6 O3 S -","- C204 H128 B8 Cl8 N48 O24 S8 -","8","2","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.0999","0.0561","","","0.1328","0.1601","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027014","8.6104","0.0003","12.0076","0.0004","12.6012","0.0006","93.8835","0.0017","104.724","0.0017","100.18","0.0015","1231.5","0.08","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H16 B Cl N6 O3 S -","- C30 H16 B Cl N6 O3 S -","- C60 H32 B2 Cl2 N12 O6 S2 -","2","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.0534","0.041","","","0.1052","0.1131","","","","","","1.031","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027015","7.4612","0.0003","9.3954","0.0003","11.6354","0.0005","77.585","0.002","84.603","0.003","69.277","0.002","744.9","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C30 H38 N2 O4 S2 -","2","1","","Somasekhar Bondalapati; Paramartha Gogoi; Kiran Indukuri; Anil K. Saikia","Diastereoselective Synthesis of Substituted Tetrahydrothiopyrans via (3,5)-Thionium-Ene Cyclization Reaction","Journal of Organic Chemistry","2012","77","","2508","2512","10.1021/jo2023944","","","0.71073","MoKα","","0.0685","0.0452","","","0.1179","0.1256","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027016","9.953","0.003","22.576","0.005","23.586","0.006","90","","97.836","0.018","90","","5250","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 S -","- C21 H23.3333 S -","- C252 H280 S12 -","12","3","","Somasekhar Bondalapati; Paramartha Gogoi; Kiran Indukuri; Anil K. Saikia","Diastereoselective Synthesis of Substituted Tetrahydrothiopyrans via (3,5)-Thionium-Ene Cyclization Reaction","Journal of Organic Chemistry","2012","77","","2508","2512","10.1021/jo2023944","","","0.71073","MoKα","","0.137","0.0775","","","0.2011","0.2468","","","","","","1.035","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027017","10.8115","0.0015","8.1263","0.0011","15.801","0.003","90","","116.867","0.002","90","","1238.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 B F4 O -","- C13 H13 B F4 O -","- C52 H52 B4 F16 O4 -","4","1","","Arumugam Thangavel; Chariklia Sotiriou-Leventis; Richard Dawes; Nicholas Leventis","Orientation of Pyrylium Guests in Cucurbituril Hosts","Journal of Organic Chemistry","2012","77","","2263","2271","10.1021/jo202434z","","","0.71073","MoKα","","0.0682","0.0435","","","0.093","0.102","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027018","11.943","0.0008","16.0684","0.001","16.8946","0.0008","82.311","0.004","81.842","0.005","78.038","0.005","3121.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C137 H155 Cl3 N4 O16 -","- C137 H155 Cl3 N4 O16 -","- C137 H155 Cl3 N4 O16 -","1","0.5","","Chia-Chen Tsai; I-Ting Ho; Jean-Ho Chu; Li-Ching Shen; Shou-Ling Huang; Wen-Sheng Chung","Synthesis of 9,10-Bis-ketoenaminoanthryl and 9,10-Bis-isoxazolylanthryl Linked Biscalix[4]arenes: Atropisomers and Molecular Recognitions","Journal of Organic Chemistry","2012","77","","2254","2262","10.1021/jo2024784","","","1.54178","CuKα","","0.138","0.1173","","","0.3066","0.3222","","","","","","2.333","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027019","8.3584","0.001","10.8267","0.0014","14.0001","0.0018","69.264","0.003","85.675","0.003","82.217","0.003","1173.4","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H35 N O8 -","- C23 H35 N O8 -","- C46 H70 N2 O16 -","2","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0552","","","","0.1696","","","","","","1.111","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027020","7.8196","0.0004","28.2633","0.001","8.4619","0.0003","90","","95.6773","0.0011","90","","1860.97","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","2","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0456","","","","0.1584","","","","","","1.061","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027021","7.75079","0.00014","17.8174","0.0003","11.3873","0.0002","90","","94.587","0.001","90","","1567.54","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","1.54187","CuKα","","0.0367","0.0342","","","0.0866","0.0881","","","","","","1.055","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027022","7.717","0.002","10.035","0.003","9.992","0.003","90","","102.451","0.008","90","","755.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.7107","MoKα","","0.0329","0.0317","","","0.0784","0.0796","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027023","10.888","0.002","11.294","0.002","15.876","0.003","78.3","0.03","79.01","0.03","61.71","0.03","1673.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 Ag N O6 -","- C13 H20 Ag N O6 -","- C52 H80 Ag4 N4 O24 -","4","2","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71073","MoKα","","0.0894","0.0607","","","0.1879","0.213","","","","","","1.113","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027024","10.1204","0.0012","17.7","0.002","26.514","0.004","90","","90","","90","","4749.5","1.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H35 N O8 -","- C23 H35 N O8 -","- C184 H280 N8 O64 -","8","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.1108","","","","0.3432","","","","","","1.112","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027025","6.0984","0.0004","21.6451","0.0013","17.4041","0.0011","90","","102.572","0.0018","90","","2242.3","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0945","","","","0.3391","","","","","","1.099","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027026","5.9681","0.0002","10.2367","0.0005","14.6203","0.0008","90","","90","","90","","893.21","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-(S)-tetrahydrofuran-2-yl)propanal","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0375","0.0352","","","0.0868","0.0881","","","","","","1.082","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027027","10.864","0.002","13.608","0.003","15.939","0.003","90","","90","","90","","2356.4","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl) propanal","","- C11 H20 O4 -","- C11 H20 O4 -","- C88 H160 O32 -","8","2","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0374","0.0357","","","0.0988","0.0998","","","","","","1.116","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027028","8.6771","0.0003","10.9779","0.0003","16.9366","0.0005","90","","90","","90","","1613.32","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 4'R, 5R)-2,2,2',2' -tetramethyl-4,4'-bi(1,3-dioxolan)-5-yl)propanal","","- C15 H26 O6 -","- C15 H26 O6 -","- C60 H104 O24 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0414","0.0347","","","0.0869","0.0893","","","","","","1.019","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027029","10.1592","0.0014","6.5759","0.0007","14.314","0.002","90","","92.95","0.012","90","","955","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-(S)-hydroxy-4-(R)-methyl-4-phenyl-dihydro-furan-2-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","2","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0875","0.0787","","","0.221","0.2257","","","","","","1.082","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027030","6.0355","0.0004","8.5641","0.0004","8.9483","0.0006","90","","104.406","0.005","90","","447.98","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S, 4S, 5R)-3-Ethyl-5-(hydroxymethyl)-3-methyltetrahydrofuran-2,4-diol","","- C8 H16 O4 -","- C8 H16 O4 -","- C16 H32 O8 -","2","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0358","0.0275","","","0.0519","0.0532","","","","","","0.859","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027031","11.0893","0.0007","6.3495","0.0003","13.239","0.0008","90","","96.008","0.005","90","","927.06","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R, 4R, 5R)-3-Ethyl-3-methyltetrahydro-2H-pyran-2,4,5-triol","","- C32 H64 O16 -","- C32 H64 O16 -","- C32 H64 O16 -","1","0.5","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0797","0.0718","","","0.1959","0.2213","","","","","","1.085","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027032","7.6824","0.0012","8.4578","0.0016","10.8731","0.0017","90","","93.655","0.018","90","","705.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O6 -","- C12 H22 O6 -","- C24 H44 O12 -","2","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0505","0.0485","","","0.1254","0.1273","","","","","","1.095","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027033","7.9057","0.0016","9.811","0.002","19.575","0.005","90","","90","","90","","1518.3","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1(R)-((4R,5S)-4-(Hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl) ((4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl)methanol","","- C14 H26 O6 -","- C14 H26 O6 -","- C56 H104 O24 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0524","0.0441","","","0.1258","0.1323","","","","","","1.182","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027034","11.3676","0.0006","12.1304","0.0006","11.3295","0.0006","90","","90.147","0.004","90","","1562.26","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-isopropyl-5,5-dimethyl-6-phenethyl-1,3-dioxan-4-ol","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0551","0.0466","","","0.1295","0.1353","","","","","","1.007","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027035","6.6073","0.0002","10.3686","0.0004","15.9951","0.0004","90","","90","","90","","1095.8","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0398","0.0365","","","0.0937","0.0954","","","","","","1.069","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027036","8.7936","0.0007","8.8297","0.0009","20.9298","0.001","90","","90","","90","","1625.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Br O4 -","- C17 H21 Br O4 -","- C68 H84 Br4 O16 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0451","0.0404","","","0.0811","0.0924","","","","","","1.15","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027037","7.3165","0.0003","9.6178","0.0003","26.2338","0.0009","90","","90","","90","","1846.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O6 Si -","- C16 H30 O6 Si -","- C64 H120 O24 Si4 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0502","0.0449","","","0.1103","0.1127","","","","","","1.033","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027038","13.2733","0.0004","13.6491","0.0004","19.3858","0.0004","79.467","0.002","87.473","0.002","72.882","0.002","3299.78","0.16","170","","170","","","","101","","","","","5","P -1","-P 1","2","","","","- C59 H84 F6 O11 S6 -","- C59 H84 F6 O11 S6 -","- C118 H168 F12 O22 S12 -","2","1","","Ondrej Kundrat; Hana Dvorakova; Stanislav Böhm; Vaclav Eigner; Pavel Lhotak","S-Alkylation of Thiacalixarenes: How the Regio- and Stereoselectivities Depend on the Starting Conformation","Journal of Organic Chemistry","2012","77","","2272","2278","10.1021/jo202571h","","","1.5418","CuKα","","0.057","0.0542","","0.168","0.161","0.168","","","","","","1.0153","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027039","8.8","0.0002","18.12","0.0002","25.465","0.0004","94.159","0.0009","91.18","0.0007","98.499","0.0009","4003.36","0.12","150","","150","","","","101","","","","","5","P -1","-P 1","2","","","","- C38 H43 F3 O7 S5 -","- C38 H43 F3 O7 S5 -","- C152 H172 F12 O28 S20 -","4","2","","Ondrej Kundrat; Hana Dvorakova; Stanislav Böhm; Vaclav Eigner; Pavel Lhotak","S-Alkylation of Thiacalixarenes: How the Regio- and Stereoselectivities Depend on the Starting Conformation","Journal of Organic Chemistry","2012","77","","2272","2278","10.1021/jo202571h","","","0.71073","MoKα","","0.0702","0.0468","","0.1314","0.1196","0.1314","","","","","","0.9621","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027040","58.012","0.006","6.97","0.0006","10.0048","0.0009","90","","95.132","0.003","90","","4029.2","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H60 N4 -","- C51 H60 N4 -","- C204 H240 N16 -","4","1","","Andrzej Rajca; Przemysław J. Boratyński; Arnon Olankitwanit; Kouichi Shiraishi; Maren Pink; Suchada Rajca","Ladder Oligo(m-aniline)s: Derivatives of Azaacenes with Cross-Conjugated π-Systems","Journal of Organic Chemistry","2012","77","","2107","2120","10.1021/jo2025948","","","0.49595","","","0.1696","0.0786","","","0.1798","0.2202","","","","","","0.892","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027041","9.9728","0.0008","13.2397","0.001","15.0024","0.0011","93.158","0.001","97.343","0.001","104.503","0.001","1894.2","0.3","191","2","191","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H5 N S4 -","- C70 H5 N S4 -","- C140 H10 N2 S8 -","2","1","","Hui-Lei Hou; Xiang Gao","Aerobic Oxidations of C602- in the Presence of PhCN and PhCH2CN: Oxygenation versus Dehydrogenation Reactions","Journal of Organic Chemistry","2012","77","","2553","2558","10.1021/jo202616j","","","0.71073","MoKα","","0.073","0.0557","","","0.1562","0.1724","","","","","","1.063","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027042","11.2502","0.0011","22.633","0.002","5.7548","0.0005","90","","90","","90","","1465.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H21 N O5 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Franklin A. Davis; Narendra V. Gaddiraju; Naresh Theddu; Joshua R. Hummel; Sandeep K. Kondaveeti; Michael J. Zdilla","Enantioselective Synthesis of Cocaine C-1 Analogues using Sulfinimines (N-Sulfinyl Imines)","Journal of Organic Chemistry","2012","77","","2345","2359","10.1021/jo202652f","","","1.54178","CuKα","","0.0488","0.0407","","","0.0972","0.1033","","","","","","1.062","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027043","7.7904","0.0004","11.2095","0.0007","15.2472","0.0008","90","","112.16","0.004","90","","1233.13","0.12","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methoxy-8-(4-methyl-3-furyl)-2H-chromen-2-one","","- C15 H21 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Bernd Schmidt; Stefan Krehl; Alexandra Kelling; Uwe Schilde","Synthesis of 8-Aryl-Substituted Coumarins Based on Ring-Closing Metathesis and Suzuki-Miyaura Coupling: Synthesis of a Furyl Coumarin Natural Product from Galipea panamensis","Journal of Organic Chemistry","2012","77","","2360","2367","10.1021/jo2026564","","","0.71073","MoKα","","0.0679","0.0575","","","0.1711","0.1799","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027044","6.0574","0.0005","11.2877","0.0012","21.5246","0.0016","90","","105.601","0.006","90","","1417.5","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,3,7,7-tetramethylhexahydro-1H-[1,4,2]oxazasilino [4,5-d][1,4,2]oxazasilin-9a-yl)methanol","","- C10 H23 N O3 Si2 -","- C10 H23 N O3 Si2 -","- C40 H92 N4 O12 Si8 -","4","1","","Nataliya F. Lazareva; Bagrat A. Shainyan; Uwe Schilde; Nina N. Chipanina; Larisa P. Oznobikhina; Alexander I. Albanov; Erich Kleinpeter","Synthesis, Molecular Structure, Conformational Analysis, and Chemical Properties of Silicon-Containing Derivatives of Quinolizidine","Journal of Organic Chemistry","2012","77","","2382","2388","10.1021/jo202658n","","","0.71073","MoKα","","0.0706","0.0441","","","0.1056","0.1208","","","","","","0.974","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027045","9.729","0.004","17.138","0.007","15.269","0.006","90","","92.418","0.005","90","","2543.6","1.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 F N O5 S -","- C27 H26 F N O5 S -","- C108 H104 F4 N4 O20 S4 -","4","1","","Feng Li; Jing Nie; Jun-Wei Wu; Yan Zheng; Jun-An Ma","Stereoselective Synthesis of Fluorinated 2,3-Dihydroquinolin-4(1H)-ones via a One-Pot Multistep Transformation","Journal of Organic Chemistry","2012","77","","2398","2406","10.1021/jo202693x","","","0.71073","MoKα","","0.0668","0.0514","","","0.1253","0.1372","","","","","","1.051","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027046","8.999","0.0006","10.3477","0.0004","13.9922","0.0011","83.058","0.012","84.028","0.013","77.561","0.012","1258.93","0.15","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F N O5 S -","- C27 H28 F N O5 S -","- C54 H56 F2 N2 O10 S2 -","2","1","","Feng Li; Jing Nie; Jun-Wei Wu; Yan Zheng; Jun-An Ma","Stereoselective Synthesis of Fluorinated 2,3-Dihydroquinolin-4(1H)-ones via a One-Pot Multistep Transformation","Journal of Organic Chemistry","2012","77","","2398","2406","10.1021/jo202693x","","","0.71073","MoKα","","0.0502","0.0418","","","0.1085","0.1156","","","","","","1.038","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027047","16.968","0.003","7.1256","0.0013","18.778","0.003","90","","94.56","0.006","90","","2263.2","0.7","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Jared W. Rigoli; Luke A. Boralsky; John C. Hershberger; Dagmara Marston; Alan R. Meis; Ilia A. Guzei; Jennifer M. Schomaker","1,4-Diazaspiro[2.2]pentanes as a Flexible Platform for the Synthesis of Diamine-Bearing Stereotriads","Journal of Organic Chemistry","2012","77","","2446","2455","10.1021/jo3000282","","","1.54178","CuKα","","0.0355","0.034","","","0.0958","0.0973","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027048","28.868","0.006","16.245","0.003","48.477","0.01","90","","106.04","0.03","90","","21849","8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H107 F24 N5 O12 P4 -","- C94 H107 F24 N5 O12 P4 -","- C752 H856 F192 N40 O96 P32 -","8","1","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.1843","0.1362","","","0.3203","0.3434","","","","","","1.631","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027049","13.274","0.002","16.473","0.003","21.939","0.004","73.342","0.012","76.401","0.012","71.387","0.011","4300.7","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H96 F24 N4 O16 P4 -","- C88 H96 F24 N4 O16 P4 -","- C176 H192 F48 N8 O32 P8 -","2","1","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.1797","0.1456","","","0.3436","0.3608","","","","","","2.025","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027050","12.469","0.003","13.495","0.004","13.729","0.003","61.238","0.011","64.049","0.013","78.738","0.016","1820.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H82 F12 N2 O14 P2 -","- C76 H82 F12 N2 O14 P2 -","- C76 H82 F12 N2 O14 P2 -","1","0.5","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.0958","0.0806","","","0.2055","0.2196","","","","","","1.077","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027051","12.16","0.0008","13.2309","0.0009","13.6965","0.001","72.112","0.007","68.34","0.007","75.152","0.006","1923.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H35 Cl2 N5 Ni0.05 O -","- C52 H35 Cl2 N5 Ni0.05 O -","- C104 H70 Cl4 N10 Ni0.1 O2 -","2","1","","Xiaofang Li; Bin Liu; Xianyong Yu; Pinggui Yi; Rongqiong Yi; Piotr J. Chmielewski","1,3-Dipolar Cycloaddition of 2,6-Dichlorobenzonitrile Oxide to 2-Methyl-N-confused Porphyrin. Regio- and Stereoselective Synthesis and Structural Characterization of 2-Aza-21-carbabacteriochlorin and Resolution of 2-Aza-21-carbachlorin Enantiomers","Journal of Organic Chemistry","2012","77","","2431","2440","10.1021/jo3000817","","","0.71073","MoKα","","0.1656","0.0649","","","0.1414","0.1587","","","","","","0.824","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027052","12.1898","0.0005","27.885","0.001","17.4845","0.0007","90","","102.235","0.004","90","","5808.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H45.5 Cl8.5 N6 O2 -","- C63.5 H45.5 Cl8.5 N6 O2 -","- C254 H182 Cl34 N24 O8 -","4","1","","Xiaofang Li; Bin Liu; Xianyong Yu; Pinggui Yi; Rongqiong Yi; Piotr J. Chmielewski","1,3-Dipolar Cycloaddition of 2,6-Dichlorobenzonitrile Oxide to 2-Methyl-N-confused Porphyrin. Regio- and Stereoselective Synthesis and Structural Characterization of 2-Aza-21-carbabacteriochlorin and Resolution of 2-Aza-21-carbachlorin Enantiomers","Journal of Organic Chemistry","2012","77","","2431","2440","10.1021/jo3000817","","","0.71073","MoKα","","0.1398","0.0627","","","0.1463","0.1628","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027053","12.564","0.002","15.406","0.004","19.363","0.003","89.76","0.02","80.24","0.01","79.32","0.02","3628.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H94 Cl6 N16 S32 -","- C131 H94 Cl6 N16 S32 -","- C131 H94 Cl6 N16 S32 -","1","0.5","","Marie Hardouin-Lerouge; Bertrand Chesneau; Magali Allain; Piétrick Hudhomme","Dual Signaling System with an Extended-Tetrathiafulvalene-Phenanthroline Dyad Acting as an Electrooptical Cation Chemosensor","Journal of Organic Chemistry","2012","77","","2441","2445","10.1021/jo300101c","","x-ray","0.71073","MoKα","","","0.1342","","","","0.351","","","","","","1.107","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027054","14.809","0.002","17.264","0.003","19.65","0.004","88.48","0.005","73.52","0.004","82.88","0.005","4780","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C299 H136 O40 S2 -","- C299 H136 O40 S2 -","- C299 H136 O40 S2 -","1","0.5","","Huan Huang; Gang Zhang; Sisi Liang; Nana Xin; Liangbing Gan","Selective Synthesis of Fullerenol Derivatives with Terminal Alkyne and Crown Ether Addends","Journal of Organic Chemistry","2012","77","","2456","2462","10.1021/jo300118h","","","0.71073","MoKα","","0.1413","0.1298","","","0.3344","0.3468","","","","","","1.088","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027055","20.5963","0.0017","10.163","0.0007","15.4331","0.0011","90","","90","","90","","3230.5","0.4","290","1","290","1","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Kyoung A Jo; Muchchintala Maheswara; Eunyoung Yoon; Yun Yeong Lee; Hoseop Yun; Eun Joo Kang","N-Heterocyclic Carbene Catalyzed Domino Cyclization of Propargylic Alcohols and Benzoyl Isocyanates","Journal of Organic Chemistry","2012","77","","2924","2928","10.1021/jo202102y","","","0.71073","MoKα","","0.1418","0.052","","","0.0949","0.1196","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027056","10.16","0.004","10.464","0.004","10.644","0.004","90","","113.854","0.005","90","","1034.9","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 S2 Si3 -","- C16 H26 S2 Si3 -","- C32 H52 S4 Si6 -","2","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.044","0.0399","","","0.1024","0.1058","","","","","","1.106","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027057","21.037","0.005","11.731","0.003","10.746","0.003","90","","92.84","0.004","90","","2648.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 S2 Si4 -","- C19 H34 S2 Si4 -","- C76 H136 S8 Si16 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0452","0.0358","","","0.1026","0.1085","","","","","","1.005","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027058","13.2682","0.0014","13.7288","0.0014","17.4654","0.0018","90","","90","","90","","3181.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 S4 Si4 -","- C26 H34 S4 Si4 -","- C104 H136 S16 Si16 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0333","0.0288","","","0.073","0.0752","","","","","","1.041","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027059","13.753","0.007","14.627","0.007","14.647","0.012","98.458","0.011","110.078","0.011","117.942","0.007","2270","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Br S2 Si3 -","- C16 H25 Br S2 Si3 -","- C64 H100 Br4 S8 Si12 -","4","2","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.1171","0.0742","","","0.2138","0.2325","","","","","","1.084","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027060","9.575","0.003","19.537","0.005","10.714","0.003","90","","109.511","0.003","90","","1889.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br2 S2 Si2 -","- C13 H16 Br2 S2 Si2 -","- C52 H64 Br8 S8 Si8 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0601","0.0327","","","0.0728","0.0781","","","","","","1.018","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027061","9.5026","0.0004","34.1358","0.0013","9.7418","0.0004","90","","116.922","0.0009","90","","2817.6","0.2","293","","293","","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H15 Cl8 Ir O5 Sn3 -","- C10 H15 Cl8 Ir O5 Sn3 -","- C40 H60 Cl32 Ir4 O20 Sn12 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.0813","0.0659","","","0.1484","0.1529","","","","","","1.299","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4027062","5.985","0.005","7.913","0.005","27.626","0.005","90","0.005","90","0.005","90","0.005","1308.3","1.4","293","","293","","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.1037","0.0783","","","0.2321","0.2699","","","","","","1.06","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027063","10.4119","0.0004","12.2748","0.0004","10.7295","0.0004","90","","110.58","0.004","90","","1283.76","0.09","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl N4 O -","- C12 H15 Cl N4 O -","- C48 H60 Cl4 N16 O4 -","4","1","","Ping Yin; Nan Liu; Yu-Xing Deng; Yue Chen; Yong Deng; Ling He","Synthesis of 2,4-Diaminoquinazolines and Tricyclic Quinazolines by Cascade Reductive Cyclization of Methyl N-Cyano-2-nitrobenzimidates","Journal of Organic Chemistry","2012","77","","2649","2658","10.1021/jo2023697","","","0.7107","MoKα","","0.0639","0.0433","","","0.0955","0.1084","","","","","","1.043","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027064","5.80481","0.00014","14.0954","0.0004","11.0624","0.0003","90","","93.634","0.002","90","","903.32","0.04","150.1","","150.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Ping Yin; Nan Liu; Yu-Xing Deng; Yue Chen; Yong Deng; Ling He","Synthesis of 2,4-Diaminoquinazolines and Tricyclic Quinazolines by Cascade Reductive Cyclization of Methyl N-Cyano-2-nitrobenzimidates","Journal of Organic Chemistry","2012","77","","2649","2658","10.1021/jo2023697","","","0.7107","MoKα","","0.0669","0.0531","","","0.1218","0.1321","","","","","","1.042","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027065","8.872","0.002","9.192","0.0019","10.178","0.002","103.813","0.011","110.457","0.012","105.347","0.011","697.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 N O2 Se -","- C13 H17 N O2 Se -","- C26 H34 N2 O4 Se2 -","2","1","","T. M. Vishwanatha; N. Narendra; Basab Chattopadhyay; Monika Mukherjee; Vommina V. Sureshbabu","Synthesis of Selenoxo Peptides and Oligoselenoxo Peptides Employing LiAlHSeH","Journal of Organic Chemistry","2012","77","","2689","2702","10.1021/jo2024703","","","0.71073","MoKα","","0.2728","0.0425","","","0.0895","0.1246","","","","","","0.947","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027066","6.611","0.003","14.222","0.006","20.57","0.009","90","","90","","90","","1934","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br N2 O4 -","- C21 H17 Br N2 O4 -","- C84 H68 Br4 N8 O16 -","4","1","","Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang","Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea","Journal of Organic Chemistry","2012","77","","2947","2953","10.1021/jo2025288","","","0.71073","MoKα","","0.143","0.0952","","","0.2499","0.279","","","","","","1.125","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027067","9.1977","0.0012","10.4095","0.0013","21.851","0.003","90","","90","","90","","2092.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O2 S -","- C25 H26 N2 O2 S -","- C100 H104 N8 O8 S4 -","4","1","","Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang","Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea","Journal of Organic Chemistry","2012","77","","2947","2953","10.1021/jo2025288","","","0.71073","MoKα","","0.0449","0.0349","","","0.0763","0.0803","","","","","","1.044","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027068","19.856","0.004","7.346","0.0013","20.945","0.004","90","","116.514","0.002","90","","2733.8","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Hai Xie; Ding Yuan; Ming-Wu Ding","Unexpected Synthesis of 2,4,5-Trisubstituted Oxazoles via a Tandem Aza-Wittig/Michael/Isomerization Reaction of Vinyliminophosphorane","Journal of Organic Chemistry","2012","77","","2954","2958","10.1021/jo202588j","","","0.71073","MoKα","","0.0548","0.0479","","","0.1358","0.1429","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027069","9.3573","0.0002","9.3573","0.0002","40.4414","0.0015","90","","90","","120","","3066.61","0.15","293","2","293","2","","","","","","","","3","P 32","P 32","145","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C132 H144 O36 -","6","2","","Xiaoqin Wang; Weijun Yao; Zhihui Yao; Cheng Ma","Bifuctional Amino-Squaramides Catalyzed Asymmetric Spiroannulation Cascades with Aliphatic β,γ-Unsaturated α-Keto Esters: Controlling an Aldehyde Enolate","Journal of Organic Chemistry","2012","77","","2959","2965","10.1021/jo202633c","","","1.54184","CuKα","","0.0937","0.0896","","","0.2641","0.269","","","","","","1.031","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027070","10.969","0.004","19.154","0.003","15.685","0.002","90","","104.199","0.014","90","","3194.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 B N2 O -","- C41 H44 B N2 O -","- C164 H176 B4 N8 O4 -","4","1","","James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull","N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents","Journal of Organic Chemistry","2012","77","","2808","2818","10.1021/jo202647f","","","0.71073","MoKα","","0.1218","0.0796","","","0.2174","0.2585","","","","","","1.04","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027071","17.718","0.0001","19.401","0.0001","20.336","0.0002","90","","90","","90","","6990.44","0.09","150","2","150","2","","","","","","","","6","P c a n","-P 2n 2c","60","","","","- C41 H43 B Cl2 N2 O -","- C41 H43 B Cl2 N2 O -","- C328 H344 B8 Cl16 N16 O8 -","8","1","","James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull","N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents","Journal of Organic Chemistry","2012","77","","2808","2818","10.1021/jo202647f","","","0.71073","MoKα","","0.0605","0.0409","","","0.0936","0.1049","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027072","8.18","0.001","9.9875","0.0013","13.2073","0.0015","97.344","0.006","98.122","0.008","111.627","0.008","973.8","0.2","95","0.5","95","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 Cl N -","- C24 H30 Cl N -","- C48 H60 Cl2 N2 -","2","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","0.71073","MoKα","","0.063","0.044","","","0.108","0.118","","","","","","1.041","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027073","18.545","0.003","10.021","0.002","11.5921","0.0015","90","","92.327","0.01","90","","2152.5","0.6","95","0.5","95","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N O -","- C26 H35 N O -","- C104 H140 N4 O4 -","4","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","0.71073","MoKα","","0.0833","0.0499","","","0.1113","0.1265","","","","","","1.022","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027074","9.7385","0.0004","11.6917","0.0006","41.5907","0.0019","90","","90","","90","","4735.5","0.4","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H39 N -","- C30 H39 N -","- C240 H312 N8 -","8","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","1.54178","CuKα","","0.063","0.053","","","0.132","0.138","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027075","10.7931","0.0013","11.7407","0.0012","12.4871","0.0012","116.859","0.005","100.003","0.006","93.089","0.005","1374.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl3 N4 O4 S2 -","- C25 H21 Cl3 N4 O4 S2 -","- C50 H42 Cl6 N8 O8 S4 -","2","1","","Wim Van Rossom; Jef Caers; Koen Robeyns; Luc Van Meervelt; Wouter Maes; Wim Dehaen","(Thio)ureido Anion Receptors Based on a 1,3-Alternate Oxacalix[2]arene[2]pyrimidine Scaffold","Journal of Organic Chemistry","2012","77","","2791","2797","10.1021/jo300004p","","","1.54178","CuKα","","0.1067","0.0663","","","0.1585","0.181","","","","","","1.013","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027076","14.5105","0.0005","13.5453","0.0006","15.6906","0.0005","90","","111.723","0.002","90","","2864.96","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 S6 -","- C27 H28 N4 S6 -","- C108 H112 N16 S24 -","4","0.5","","Wim Van Rossom; Jef Caers; Koen Robeyns; Luc Van Meervelt; Wouter Maes; Wim Dehaen","(Thio)ureido Anion Receptors Based on a 1,3-Alternate Oxacalix[2]arene[2]pyrimidine Scaffold","Journal of Organic Chemistry","2012","77","","2791","2797","10.1021/jo300004p","","","1.54178","CuKα","","0.048","0.0384","","","0.0999","0.1067","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027077","8.7283","0.0001","12.0028","0.0002","23.2475","0.0004","90","","90","","90","","2435.5","0.06","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br Cl2 N2 O3 -","- C27 H23 Br Cl2 N2 O3 -","- C108 H92 Br4 Cl8 N8 O12 -","4","1","","Eider Aranzamendi; Nuria Sotomayor; Esther Lete","Brønsted Acid Catalyzed Enantioselective α-Amidoalkylation in the Synthesis of Isoindoloisoquinolines","Journal of Organic Chemistry","2012","77","","2986","2991","10.1021/jo3000223","","","1.54184","CuKα","","0.0406","0.037","","","0.0933","0.0963","","","","","","1.026","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027078","13.0005","0.0013","7.0068","0.0007","17.8353","0.0018","90","","106.159","0.002","90","","1560.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl I N O2 -","- C16 H11 Cl I N O2 -","- C64 H44 Cl4 I4 N4 O8 -","4","1","","Bo-Xiao Tang; Yue-Hua Zhang; Ren-Jie Song; Dong-Jun Tang; Guo-Bo Deng; Zhi-Qiang Wang; Ye-Xiang Xie; Yuan-Zhi Xia; Jin-Heng Li","Intramolecularipso-Halocyclization of 4-(p-Unsubstituted-aryl)-1-alkynes Leading to Spiro[4,5]trienones: Scope, Application, and Mechanistic Investigations","Journal of Organic Chemistry","2012","77","","2837","2849","10.1021/jo300037n","","","0.71073","MoKα","","0.0427","0.0357","","","0.0785","0.0825","","","","","","1.087","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027079","6.7473","0.0007","9.6146","0.001","27.114","0.003","90","","95.106","0.002","90","","1752","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Bo-Xiao Tang; Yue-Hua Zhang; Ren-Jie Song; Dong-Jun Tang; Guo-Bo Deng; Zhi-Qiang Wang; Ye-Xiang Xie; Yuan-Zhi Xia; Jin-Heng Li","Intramolecularipso-Halocyclization of 4-(p-Unsubstituted-aryl)-1-alkynes Leading to Spiro[4,5]trienones: Scope, Application, and Mechanistic Investigations","Journal of Organic Chemistry","2012","77","","2837","2849","10.1021/jo300037n","","","0.71073","MoKα","","0.0556","0.0394","","","0.0851","0.0882","","","","","","0.91","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027080","8.2933","0.0007","10.0821","0.0009","17.0581","0.0013","90","","99.641","0.002","90","","1406.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N O -","- C18 H12 F3 N O -","- C72 H48 F12 N4 O4 -","4","1","","Lei-Lei Sun; Zhi-Yong Liao; Ri-Yuan Tang; Chen-Liang Deng; Xing-Guo Zhang","Palladium and Copper Cocatalyzed Tandem N-H/C-H Bond Functionalization: Synthesis of CF3-Containing Indolo- and Pyrrolo[2,1-a]isoquinolines","Journal of Organic Chemistry","2012","77","","2850","2856","10.1021/jo3000404","","","0.71073","MoKα","","0.056","0.0396","","","0.1151","0.1322","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027081","5.488","0.0004","15.46","0.001","28.8777","0.0017","90","","90","","90","","2450.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F2 O3 S2 -","- C28 H24 F2 O3 S2 -","- C112 H96 F8 O12 S8 -","4","1","","José Luis García Ruano; José Antonio Fernández-Salas; M. Carmen Maestro","Stereocontrolled Fluorobenzylation of Vinyl Sulfones and α,β-Unsaturated Esters Mediated by a Remote Sulfinyl Group. Synthesis of Functionalized Enantiomerically Pure Benzylic Fluorides","Journal of Organic Chemistry","2012","77","","2893","2900","10.1021/jo300174k","","","0.71073","MoKα","","0.081","0.0491","","","0.1062","0.1497","","","","","","1.148","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027082","8.82088","0.00016","17.5456","0.0004","11.9169","0.0003","90","","93.8914","0.0007","90","","1840.1","0.07","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F N O2 S -","- C20 H17 Br F N O2 S -","- C80 H68 Br4 F4 N4 O8 S4 -","4","2","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0317","","","","0.067","","","","","","1.109","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027083","17.5575","0.0009","5.9446","0.0003","19.3228","0.001","90","","109.387","0.0012","90","","1902.41","0.17","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0373","","","","0.0918","","","","","","1.083","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027084","8.5546","0.00018","10.315","0.0003","20.8151","0.0005","90","","90","","90","","1836.74","0.08","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0293","","","","0.0761","","","","","","1.097","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027085","5.61505","0.00011","13.7153","0.0003","23.8616","0.0005","90","","90","","90","","1837.63","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O3 S -","- C21 H16 Cl N O3 S -","- C84 H64 Cl4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.03","","","","0.0739","","","","","","1.084","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027086","5.75921","0.0001","13.2454","0.0003","23.194","0.0005","90","","90","","90","","1769.31","0.06","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0303","","","","0.0773","","","","","","1.095","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027087","5.48038","0.00011","14.4143","0.0004","24.5178","0.0006","90","","90","","90","","1936.8","0.08","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 F3 N O3 S -","- C22 H16 F3 N O3 S -","- C88 H64 F12 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0317","","","","0.079","","","","","","1.092","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027088","6.2974","0.0004","7.9135","0.0005","36.77","0.002","90","","90","","90","","1832.41","0.19","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0469","","","","0.1079","","","","","","0.991","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027089","5.9669","0.0002","8.5395","0.0003","36.8188","0.0013","90","","90","","90","","1876.08","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0651","","","","0.1562","","","","","","1.143","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027090","8.57844","0.00019","5.82241","0.00012","18.8022","0.0005","90","","100.163","0.0007","90","","924.38","0.04","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C44 H38 N2 O8 S2 -","2","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0308","","","","0.0746","","","","","","1.074","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027091","6.36452","0.00014","8.11463","0.00018","34.3132","0.0008","90","","90","","90","","1772.13","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0315","","","","0.0795","","","","","","1.062","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027092","8.0346","0.0009","6.4023","0.0007","17.6979","0.0018","90","","100.211","0.003","90","","895.96","0.17","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C42 H32 F2 N2 O6 S2 -","2","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0453","","","","0.096","","","","","","1.048","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027093","10.3632","0.0013","8.1773","0.001","21.547","0.003","90","","91.751","0.002","90","","1825.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08001","","","- C32 H68 N2 O11 -","- C32 H68 N2 O11 -","- C64 H136 N4 O22 -","2","1","","Jae Chul Lee; Subhashree Francis; Dinah Dutta; Vijayalaxmi Gupta; Yan Yang; Jin-Yi Zhu; Joseph S. Tash; Ernst Schönbrunn; Gunda I. Georg","Synthesis and Evaluation of Eight- and Four-Membered Iminosugar Analogues as Inhibitors of Testicular Ceramide-Specific Glucosyltransferase, Testicular β-Glucosidase 2, and Other Glycosidases","Journal of Organic Chemistry","2012","77","","3082","3098","10.1021/jo202054g","","","0.71073","MoKα","","0.1022","0.0527","","","0.131","0.17","","","","","","1.016","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027094","14.495","0.003","15.945","0.004","17.142","0.004","87.527","0.006","68.186","0.004","81.798","0.006","3640.4","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N9 O9 S5 -","- C27 H35 N9 O9 S5 -","- C108 H140 N36 O36 S20 -","4","2","","Rebecca M. Duke; Thomas McCabe; Wolfgang Schmitt; Thorfinnur Gunnlaugsson","Recognition and Sensing of Biologically Relevant Anions in Alcohol and Mixed Alcohol-Aqueous Solutions Using Charge Neutral Cleft-Like Glycol-Derived Pyridyl-Amidothiourea Receptors","Journal of Organic Chemistry","2012","77","","3115","3126","10.1021/jo202332h","","","0.7107","MoKα","","0.067","0.0623","","","0.1495","0.1534","","","","","","1.063","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027095","7.3934","0.0002","15.6929","0.0004","10.0693","0.0003","90","","106.497","0.004","90","","1120.19","0.06","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Rafael P. Bula; Iris M. Oppel; Holger F. Bettinger","Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels-Alder-retro-Diels-Alder Sequence with 3,6-Disubstituted Tetrazines","Journal of Organic Chemistry","2012","77","","3538","3542","10.1021/jo202450u","","","0.71073","MoKα","","0.0469","0.0361","","","0.0925","0.0951","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027096","14.2138","0.0001","10.0644","0.0001","14.4831","0.0001","90","","99.6","0.001","90","","2042.84","0.03","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Rafael P. Bula; Iris M. Oppel; Holger F. Bettinger","Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels-Alder-retro-Diels-Alder Sequence with 3,6-Disubstituted Tetrazines","Journal of Organic Chemistry","2012","77","","3538","3542","10.1021/jo202450u","","","1.54178","CuKα","","0.0412","0.0347","","","0.0919","0.0941","","","","","","1.086","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027097","9.2292","0.0013","13.5016","0.0019","18.493","0.003","72.535","0.002","81.06","0.003","76.979","0.003","2132.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O2 Se -","- C24 H20 Br N O2 Se -","- C96 H80 Br4 N4 O8 Se4 -","4","2","","Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres","Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents","Journal of Organic Chemistry","2012","77","","3549","3556","10.1021/jo202495z","","","0.71073","MoKα","","0.2553","0.0764","","","0.141","0.1752","","","","","","0.999","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027098","12.36","0.002","12.862","0.003","22.211","0.004","90","","104.886","0.004","90","","3412.5","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 Se -","- C19 H17 N O2 Se -","- C152 H136 N8 O16 Se8 -","8","2","","Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres","Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents","Journal of Organic Chemistry","2012","77","","3549","3556","10.1021/jo202495z","","","0.71073","MoKα","","0.198","0.0609","","","0.1495","0.2423","","","","","","1.013","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027099","20.639","0.011","20.639","0.011","13.164","0.007","90","","90","","90","","5607","5","298","2","298","2","","","","","","","","6","I 41","I 4bw","80","","","","- C26 H31 Br N2 O9 S -","- C26 H31 Br N2 O9 S -","- C208 H248 Br8 N16 O72 S8 -","8","1","","Qi-Xiang Guo; Yu-Wan Liu; Xing-Cheng Li; Ling-Zhi Zhong; Yun-Gui Peng","Enantioselective and Solvent-Controlled Diastereoselective Mannich Reaction of Isatin Imines with Hydroxyacetone: Synthesis of 3-Substituted 3-Aminooxindoles","Journal of Organic Chemistry","2012","77","","3589","3594","10.1021/jo202585w","","","0.71073","MoKα","","0.0955","0.0552","","","0.1588","0.1922","","","","","","1.062","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027100","5.9603","0.0004","7.9818","0.0005","40.339","0.003","90","","90","","90","","1919.1","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N S3 -","- C24 H15 N S3 -","- C96 H60 N4 S12 -","4","1","","Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura","Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles","Journal of Organic Chemistry","2012","77","","3222","3232","10.1021/jo202625p","","","0.7107","MoKα","","0.0376","0.0368","","","0.1016","0.1019","","","","","","1.181","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027101","9.7746","0.0005","26.4346","0.0016","28.6784","0.0019","90","","90","","90","","7410.1","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H21 N S4 -","- C30 H21 N S4 -","- C360 H252 N12 S48 -","12","3","","Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura","Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles","Journal of Organic Chemistry","2012","77","","3222","3232","10.1021/jo202625p","","","0.7107","MoKα","","0.064","0.0589","","","0.1083","0.1101","","","","","","1.181","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027102","11.2117","0.0002","11.2117","0.0002","54.8735","0.001","90","","90","","90","","6897.7","0.2","93","","93","","","","","","","","","5","P 41","P 4w","76","","","","- C86 H64 Cl4 O6 P2 -","- C86 H64 Cl4 O6 P2 -","- C344 H256 Cl16 O24 P8 -","4","1","","Bunpei Hatano; Kazuyuki Hashimoto; Hiroshi Katagiri; Tatsuro Kijima; Satoshi Murakami; Shigeru Matsuba; Miho Kusakari","Enantioresolution of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Oxide Using Inclusion Complex with Chiral 2,2'-Dihydroxy-1,1'-binaphtyl","Journal of Organic Chemistry","2012","77","","3595","3597","10.1021/jo202630p","","","1.54187","CuKα","","0.04","0.0399","","","0.1032","0.1033","","","","","","1.06","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027103","11.5379","0.0013","10.6801","0.0012","13.8158","0.0015","90","","100.801","0.005","90","","1672.3","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O6 -","- C35 H54 O6 -","- C70 H108 O12 -","2","1","","Gregory K. Friestad; An Ji; Jonas Baltrusaitis; Chandra Sekhar Korapala; Jun Qin","Scope of Stereoselective Mn-Mediated Radical Addition to Chiral Hydrazones and Application in a Formal Synthesis of Quinine","Journal of Organic Chemistry","2012","77","","3159","3180","10.1021/jo2026349","","","0.71073","MoKα","","0.0464","0.0432","","","0.1107","0.1137","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027104","8.5749","0.0006","11.5138","0.0008","43.232","0.003","90","","90","","90","","4268.3","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H63 N O5 Si -","- C46 H63 N O5 Si -","- C184 H252 N4 O20 Si4 -","4","1","","Christian C. Ventocilla; K. A. Woerpel","Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes","Journal of Organic Chemistry","2012","77","","3277","3283","10.1021/jo202650k","","","0.71073","MoKα","","0.0581","0.0531","","","0.1439","0.1477","","","","","","1.088","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027105","11.2829","0.001","12.0507","0.0011","12.1302","0.0011","115.864","0.0014","100.482","0.0015","103.034","0.0015","1370","0.2","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 O5 Si -","- C28 H42 O5 Si -","- C56 H84 O10 Si2 -","2","1","","Christian C. Ventocilla; K. A. Woerpel","Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes","Journal of Organic Chemistry","2012","77","","3277","3283","10.1021/jo202650k","","","0.71073","MoKα","","0.0507","0.0383","","","0.0938","0.101","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027106","9.7554","0.0003","10.4301","0.0003","16.6303","0.0007","77.186","0.003","81.132","0.003","70.517","0.003","1549.58","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 O7 Si -","- C31 H46 O7 Si -","- C62 H92 O14 Si2 -","2","1","","Daniel C. Schmitt; Ericka J. Malow; Jeffrey S. Johnson","Three-Component Glycolate Michael Reactions of Enolates, Silyl Glyoxylates, and α,β-Enones","Journal of Organic Chemistry","2012","77","","3246","3251","10.1021/jo202679u","","","1.54178","CuKα","","0.0829","0.0614","","","0.1437","0.1587","","","","","","1.067","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027107","14.0124","0.0009","6.3282","0.0003","15.2728","0.001","90","","106.082","0.008","90","","1301.29","0.14","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Dimethylsulfamoyl-5-phenylazoimidazole","","","- C11 H13 N5 O2 S -","- C11 H13 N5 O2 S -","- C44 H52 N20 O8 S4 -","4","1","","Thore Wendler; Christian Schütt; Christian Näther; Rainer Herges","Photoswitchable Azoheterocycles via Coupling of Lithiated Imidazoles with Benzenediazonium Salts","Journal of Organic Chemistry","2012","77","","3284","3287","10.1021/jo202688x","","","0.71073","MoKα","","0.0426","0.0373","","","0.1023","0.1055","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027108","10.989","0.004","15.032","0.005","15.109","0.005","119.832","0.004","96.649","0.006","90","0.006","2145.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H29 Cl6 F3 N4 Ni -","- C47 H29 Cl6 F3 N4 Ni -","- C94 H58 Cl12 F6 N8 Ni2 -","2","1","","Fei Hao; Hua-Wei Jiang; Guoqiang Zong; Zhiguo Zhou; Ruo-Bing Du; Qing-Yun Chen; Ji-Chang Xiao","Electrophilic Fluoroalkylation of Ni(II) N-Confused Porphyrins with Fluoroalkylarylsulfonium Salts","Journal of Organic Chemistry","2012","77","","3604","3608","10.1021/jo3000018","","","0.71073","MoKα","","0.0965","0.0725","","","0.1864","0.2088","","","","","","1.037","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027109","16.4794","0.0012","45.447","0.003","16.3605","0.0012","90","","113.891","0.002","90","","11203.2","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 Br2 O2 P4 Pt2 -","- C52 H80 Br2 O2 P4 Pt2 -","- C416 H640 Br16 O16 P32 Pt16 -","8","2","","Qing Han; Li-Lei Wang; Quan-Jie Li; Guang-Zhen Zhao; Jiuming He; Bingjie Hu; Hongwei Tan; Zeper Abliz; Yihua Yu; Hai-Bo Yang","Synthesis of Triangular Metallodendrimers via Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2012","77","","3426","3432","10.1021/jo300016a","","","0.71073","MoKα","","0.1345","0.115","","","0.2402","0.2482","","","","","","1.267","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027110","6.503","0.0013","12.1809","0.0011","13.9183","0.0019","66.72","0.03","82.58","0.04","76.52","0.04","984","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C44 H46 N2 O12 -","2","1","","Le Chang; Hao Jiang; Junkai Fu; Bin Liu; Chuang-chuang Li; Zhen Yang","Synthesizing the Tetracyclic Core of Nanolobatolide","Journal of Organic Chemistry","2012","77","","3609","3614","10.1021/jo300039q","","","1.54187","CuKα","","","0.0973","","","","0.3585","","","","","","1.418","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027111","16.1486","0.0007","6.845","0.0003","18.5516","0.0008","90","","94.31","0.001","90","","2044.84","0.15","","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H69 Cl N2 O8 -","- C41 H67 Cl N2 O8 -","- C82 H134 Cl2 N4 O16 -","2","1","","Yong-Li Zhong; Donald R. Gauthier; Yao-Jun Shi; Mark McLaughlin; John Y. L. Chung; Philippe Dagneau; Benjamin Marcune; Shane W. Krska; Richard G. Ball; Robert A. Reamer; Nobuyoshi Yasuda","Synthesis of Antifungal Glucan Synthase Inhibitors from Enfumafungin","Journal of Organic Chemistry","2012","77","","3297","3310","10.1021/jo300046v","","","","MoKα","","","0.0461","","","","0.1195","","","","","","1.028","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027112","31.219","0.004","6.121","0.0007","18.877","0.002","90","","106.402","0.001","90","","3460.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Naphtho[1,2-c]isoxazole","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","1","","Zhigang She; Dongyue Niu; Lei Chen; Maria A. Gunawan; Xhesika Shanja; William H. Hersh; Yu Chen","Synthesis of Trisubstituted Isoxazoles by Palladium(II)-Catalyzed Cascade Cyclization-Alkenylation of 2-Alkyn-1-one O-Methyl Oximes","Journal of Organic Chemistry","2012","77","","3627","3633","10.1021/jo300090k","","","0.71073","MoKα","","0.0487","0.0384","","","0.0948","0.1011","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027113","9.959","0.003","10.162","0.003","20.434","0.005","90","","90","","90","","2068","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br N2 O2 S -","- C20 H23 Br N2 O2 S -","- C80 H92 Br4 N8 O8 S4 -","4","1","","Wenjin Yan; Dong Wang; Jingchao Feng; Peng Li; Rui Wang","Zinc-Mediated Diastereoselective Synthesis of 3-Amino Oxindoles by Addition of Methyl and Terminal Alkynes to N-tert-Butanesulfinyl Ketimines","Journal of Organic Chemistry","2012","77","","3311","3317","10.1021/jo300110a","","","0.71073","MoKα","","0.1614","0.0749","","","0.1967","0.2529","","","","","","1.012","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027114","10.0888","0.0017","16.229","0.003","19.287","0.004","90","","90","","90","","3157.9","1","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Fe N3 P2 -","- C38 H33 Fe N3 P2 -","- C152 H132 Fe4 N12 P8 -","4","1","","Takashi Konno; Kenta Shimizu; Kenichi Ogata; Shin-ichi Fukuzawa","Rhodium-Catalyzed Enantioselective Hydrogenation of Unsaturated Phosphonates by Click Ferrophos Ligands","Journal of Organic Chemistry","2012","77","","3318","3324","10.1021/jo300129m","","","0.71075","MoKα","","","0.0406","","","","0.1038","","","","","","0.805","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027115","23.957","0.005","8.3528","0.0017","20.444","0.004","90","","90","","90","","4091","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 Cl Cu N4 O4 -","- C96 Cl12 Cu12 N48 O48 -","12","3","","Bo Yao; Zu-Li Wang; Hu Zhang; De-Xian Wang; Liang Zhao; Mei-Xiang Wang","Cu(ClO4)2-Mediated Arene C-H Bond Halogenations of Azacalixaromatics Using Alkali Metal Halides as Halogen Sources","Journal of Organic Chemistry","2012","77","","3336","3340","10.1021/jo300152u","","","0.71073","MoKα","","0.0546","0.051","","","0.1334","0.1374","","","","","","1.07","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027116","10.8582","0.0014","9.0165","0.0012","19.867","0.003","90","","99.776","0.0015","90","","1916.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 Se -","- C20 H28 O3 Se -","- C80 H112 O12 Se4 -","4","2","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0528","0.0374","","","0.083","0.0888","","","","","","1.039","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027117","12.547","0.008","8.87","0.005","16.302","0.01","90","","100.639","0.006","90","","1783.1","1.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 N O6 Si -","- C34 H55 N O6 Si -","- C68 H110 N2 O12 Si2 -","2","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","1.54178","CuKα","","0.0944","0.0736","","","0.1908","0.2132","","","","","","1.047","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027118","9.8475","0.0006","11.6751","0.0007","19.0604","0.0011","90","","90","","90","","2191.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 -","- C24 H33 N O3 -","- C96 H132 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0469","0.0351","","","0.0797","0.0867","","","","","","1.034","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027119","8.3064","0.0005","11.8273","0.0007","26.9582","0.0017","90","","90","","90","","2648.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 F3 N O3 -","- C30 H34 F3 N O3 -","- C120 H136 F12 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0491","0.039","","","0.0899","0.0961","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027120","5.5725","0.0001","18.1754","0.0003","26.6342","0.0004","90","","90","","90","","2697.58","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O3 -","- C33 H37 N O3 -","- C132 H148 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","1.54178","CuKα","","0.0329","0.0314","","","0.0826","0.0837","","","","","","1.026","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027121","7.7171","0.0002","8.9158","0.0002","15.6711","0.0005","100.275","0.002","100.391","0.002","107.028","0.002","982.94","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Lihua Yao; Bhaskar Pitta; P. C. Ravikumar; Matthew Purzycki; Fraser F. Fleming","Transmissive Olefination Route to Putative ""Morinol I"" Lignans","Journal of Organic Chemistry","2012","77","","3651","3657","10.1021/jo3001723","","","0.71073","MoKα","","0.0697","0.0472","","","0.1416","0.1573","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027122","14.6671","0.0002","17.229","0.0002","20.9288","0.0003","90","","108.669","0.0006","90","","5010.41","0.12","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 O5 -","- C35 H24 O5 -","- C280 H192 O40 -","8","2","","Eriko Azuma; Naoko Nakamura; Kouji Kuramochi; Takahiro Sasamori; Norihiro Tokitoh; Ikuko Sagami; Kazunori Tsubaki","Exhaustive Syntheses of Naphthofluoresceins and Their Functions","Journal of Organic Chemistry","2012","77","","3492","3500","10.1021/jo300177b","","","0.71075","MoKα","","0.0568","0.0409","","","0.1046","0.1143","","","","","","1.018","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027123","11.8047","0.0017","13.2341","0.0019","33.916","0.005","90","","90","","90","","5298.5","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 4","1,3-bis(4-methoxyphenyl)-5-o-tolyl-1,3,5-triazinane-2,4,6-trione","","- C56 H50 N6 O13 -","- C56 H50 N6 O13 -","- C224 H200 N24 O52 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Atropisomers of Hindered Triarylisocyanurates: Structure, Conformation, Stereodynamics, and Absolute Configuration","Journal of Organic Chemistry","2012","77","","3373","3380","10.1021/jo300192n","","","0.71073","MoKα","","0.117","0.076","","","0.2014","0.2434","","","","","","1.04","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027124","12.8615","0.0001","19.9997","0.0004","20.5839","0.0002","83.399","0.003","76.527","0.0019","89.713","0.003","5113.57","0.13","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H138 B4 N8 O8 -","- C101 H137 B4 N8 O8 -","- C202 H274 B8 N16 O16 -","2","1","","Deborah A. Smithen; Alexander E. G. Baker; Matthew Offman; Sarah M. Crawford; T. Stanley Cameron; Alison Thompson","Use of F-BODIPYs as a Protection Strategy for Dipyrrins: Optimization of BF2Removal","Journal of Organic Chemistry","2012","77","","3439","3453","10.1021/jo3002003","","","0.7107","MoKα","","","0.0667","","","","0.0715","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027125","10.4293","0.0011","11.126","0.0014","14.4551","0.0017","75.901","0.001","87.844","0.002","70.989","0.001","1536.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29 Cl N2 Ni P -","- C35 H29 Cl N2 Ni P -","- C70 H58 Cl2 N4 Ni2 P2 -","2","1","","Xue-Qi Zhang; Zhong-Xia Wang","Cross-Coupling of Aryltrimethylammonium Iodides with Arylzinc Reagents Catalyzed by Amido Pincer Nickel Complexes","Journal of Organic Chemistry","2012","77","","3658","3663","10.1021/jo300209d","","","0.71073","MoKα","","0.0842","0.0498","","","0.1163","0.1266","","","","","","1.08","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027126","9.852","0.0009","13.7371","0.0014","14.6279","0.0016","111.06","0.002","93.101","0.001","106.545","0.001","1743.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H72 Cl2 N8 Ni2 P2 -","- C79 H72 Cl2 N8 Ni2 P2 -","- C79 H72 Cl2 N8 Ni2 P2 -","1","0.5","","Xue-Qi Zhang; Zhong-Xia Wang","Cross-Coupling of Aryltrimethylammonium Iodides with Arylzinc Reagents Catalyzed by Amido Pincer Nickel Complexes","Journal of Organic Chemistry","2012","77","","3658","3663","10.1021/jo300209d","","","0.71073","MoKα","","0.2567","0.0863","","","0.1811","0.211","","","","","","1.044","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027127","9.417","0.0018","12.514","0.003","16.573","0.004","88.219","0.01","75.86","0.01","80.763","0.01","1869.2","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","2","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0873","0.0633","","","0.1361","0.1458","","","","","","1.125","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027128","6.4584","0.0013","20.649","0.004","15.101","0.003","90","","101.92","0.03","90","","1970.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C96 H88 N16 O8 -","4","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.1003","0.0785","","","0.1348","0.1435","","","","","","1.225","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027129","7.486","0.002","11.283","0.003","12.414","0.004","80.341","0.0018","76.409","0.0014","73.277","0.0015","970.4","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0955","0.0761","","","0.1498","0.1616","","","","","","1.138","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027130","12.609","0.004","15.739","0.003","19.556","0.004","90","","93.38","0.003","90","","3874.2","1.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C192 H176 N32 O16 -","8","2","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0952","0.0814","","","0.1698","0.1784","","","","","","1.188","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027131","9.372","0.003","11.126","0.004","11.34","0.004","105.318","0.004","105.023","0.004","104.512","0.002","1034.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C50 H48 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0772","0.0657","","","0.1333","0.1396","","","","","","1.16","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027132","10.157","0.003","10.67","0.003","11.257","0.003","103.417","0.008","93.162","0.006","90.024","0.005","1184.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C60 H52 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0947","0.0756","","","0.1392","0.1475","","","","","","1.211","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027133","9.573","0.004","9.815","0.004","11.061","0.004","92.907","0.007","95.692","0.007","94.927","0.007","1028.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C50 H48 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0917","0.0687","","","0.1532","0.1684","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027134","21.102","0.005","12.56","0.003","22.259","0.006","90","","90","","90","","5900","3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C66 H68 N14 O5 -","- C66 H68 N14 O5 -","- C264 H272 N56 O20 -","4","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0903","0.0838","","","0.1543","0.1572","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027135","8.0278","0.0006","6.1571","0.0005","11.258","0.0007","90","","97.688","0.006","90","","551.46","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 Br O2 -","- C5 H3 Br O2 -","- C20 H12 Br4 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0265","0.0216","","","0.0482","0.0496","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027136","9.6302","0.0006","8.7399","0.0006","8.2353","0.0005","90","","105.658","0.005","90","","667.42","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 Br2 O2 -","- C5 H2 Br2 O2 -","- C20 H8 Br8 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0433","0.0349","","","0.0775","0.0809","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027137","10.664","0.003","13.107","0.003","3.9339","0.0009","90","","90","","90","","549.9","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H3 Br O2 -","- C5 H3 Br O2 -","- C20 H12 Br4 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0958","0.08","","","0.188","0.1938","","","","","","1.365","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027138","11.5399","0.0007","13.0173","0.0008","29.3178","0.0019","90","","95.778","0.005","90","","4381.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 B O2 Si2 -","- C18 H33 B O2 Si2 -","- C144 H264 B8 O16 Si16 -","8","2","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.1259","0.0546","","","0.1031","0.1231","","","","","","0.822","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027139","29.312","0.003","7.4728","0.0014","28.123","0.003","90","","116.015","0.008","90","","5536","1.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H42 Si4 -","- C24 H42 Si4 -","- C192 H336 Si32 -","8","2","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.1726","0.1204","","","0.2865","0.3277","","","","","","0.985","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027140","10.4103","0.0008","21.643","0.002","8.6754","0.0009","90","","90","","90","","1954.7","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H28 O Si2 -","- C19 H28 O Si2 -","- C76 H112 O4 Si8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0764","0.0646","","","0.1424","0.1478","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027141","6.5999","0.0007","9.3395","0.0011","16.733","0.0017","98.497","0.009","95.464","0.009","105.447","0.009","973.4","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O2 Si2 -","- C18 H25 N O2 Si2 -","- C36 H50 N2 O4 Si4 -","2","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0913","0.0529","","","0.1076","0.1192","","","","","","0.91","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027142","17.1101","0.0005","11.4517","0.0004","9.6085","0.0003","90","","97.391","0.002","90","","1867.04","0.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C80 H136 N8 O16 -","4","0.5","","Eric A. Mercier; Chris D. Smith; Masood Parvez; Thomas G. Back","Cyclic Seleninate Esters as Catalysts for the Oxidation of Sulfides to Sulfoxides, Epoxidation of Alkenes, and Conversion of Enamines to α-Hydroxyketones","Journal of Organic Chemistry","2012","77","","3508","3517","10.1021/jo300313v","","","1.54178","CuKα","","0.0363","0.0351","","","0.0863","0.0871","","","","","","1.094","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027143","9.784","0.0006","10.6861","0.0006","11.7857","0.0007","63.081","0.006","72.433","0.005","85.632","0.005","1044.82","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O6 -","- C24 H26 O6 -","- C48 H52 O12 -","2","1","","Jens Cordes; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett","Palladium(0)-Catalyzed Allylic Alkylation of Diketoester-Dioxinones with Allyl Acetates under Neutral Conditions: Synthesis of Hexasubstituted Benzene Derivatives","Journal of Organic Chemistry","2012","77","","3524","3530","10.1021/jo300340c","","","0.71073","MoKα","","0.089","0.059","","","0.1313","0.147","","","","","","1.048","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027144","22.038","0.002","7.2524","0.0006","13.9045","0.0013","90","","90","","90","","2222.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(2R,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","(2R,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","","- C23.5 H20 Cl N5 O3 -","- C23 H19 N5 O3 -","- C92 H76 N20 O12 -","4","1","","Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard","Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones","Journal of Organic Chemistry","2012","77","","3679","3685","10.1021/jo300364d","","","0.71073","MoKα","","0.1013","0.0842","","","0.2394","0.2567","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027145","9.478","0.0009","18.043","0.0017","11.7865","0.0011","90","","97.428","0.003","90","","1998.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","(2S,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","","- C23 H19 N5 O3 -","- C23 H19 N5 O3 -","- C92 H76 N20 O12 -","4","2","","Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard","Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones","Journal of Organic Chemistry","2012","77","","3679","3685","10.1021/jo300364d","","","0.71073","MoKα","","0.0754","0.0514","","","0.138","0.1798","","","","","","1.132","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027146","8.0539","0.0004","12.8886","0.0006","17.1903","0.0008","90","","90","","90","","1784.41","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.0332","0.0289","","","0.0655","0.0682","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027147","7.4432","0.0001","10.8946","0.0002","12.6718","0.0003","75.427","0.001","79.65","0.001","86.204","0.001","978.09","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N5 O2 -","- C21 H23 N5 O2 -","- C42 H46 N10 O4 -","2","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","1.54178","CuKα","","0.0474","0.0406","","","0.1088","0.1141","","","","","","1.048","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027148","8.474","0.0004","20.0572","0.001","10.7864","0.0005","90","","94.061","0.002","90","","1828.7","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N4 O -","- C19 H26 N4 O -","- C76 H104 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.0546","0.0472","","","0.1107","0.1165","","","","","","1.042","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027149","8.4538","0.001","20.032","0.002","10.7689","0.0012","90","","94.079","0.001","90","","1819.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N4 O -","- C19 H26 N4 O -","- C76 H104 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.1125","0.0595","","","0.1362","0.1653","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027150","18.1979","0.0013","11.8241","0.0009","20.1682","0.0014","90","","114.835","0.001","90","","3938.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C200 H168 N8 O16 -","8","2","","Feng Sha; Luling Wu; Xian Huang","Chemo- and Regioselective Assembly of Polysubstituted Pyridines and Isoquinolines from Isocyanides, Arynes, and Terminal Alkynes","Journal of Organic Chemistry","2012","77","","3754","3765","10.1021/jo300072x","","","0.71073","MoKα","","0.09","0.0529","","","0.1244","0.139","","","","","","0.929","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027151","11.7361","0.0008","6.3813","0.0005","17.5262","0.0014","90","","104.237","0.003","90","","1272.25","0.17","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Klaus Bjerglund; Anders T. Lindhardt; Troels Skrydstrup","Palladium-Catalyzed N-Acylation of Monosubstituted Ureas Using Near-Stoichiometric Carbon Monoxide","Journal of Organic Chemistry","2012","77","","3793","3799","10.1021/jo3000767","","x-ray","0.71073","MoKα","","0.0824","0.0472","","","0.111","0.1251","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027152","9.4223","0.0004","12.535","0.0007","14.9465","0.0008","90","","90","","90","","1765.31","0.16","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl O3 -","- C18 H21 Cl O3 -","- C72 H84 Cl4 O12 -","4","1","","Yangbin Liu; Xiaohua Liu; Min Wang; Peng He; Lili Lin; Xiaoming Feng","Enantioselective Synthesis of 3,4-Dihydropyran Derivatives via Organocatalytic Michael Reaction of α,β-Unsaturated Enones","Journal of Organic Chemistry","2012","77","","4136","4142","10.1021/jo3001047","","","0.7107","MoKα","","0.0708","0.0465","","","0.0871","0.1","","","","","","1.05","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027153","5.6262","0.0015","10.04","0.003","12.165","0.003","95.51","0.004","90.569","0.006","100.99","0.007","671.2","0.3","98","2","98","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","","Nicole M. Cain; Edward R. T. Tiekink; Dennis K. Taylor","Ozonolysis of Bicyclic 1,2-Dioxines: Initial Scope and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","3808","3819","10.1021/jo3001518","","","0.71073","MoKα","","0.0593","0.0528","","","0.1388","0.1454","","","","","","1.03","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027154","10.686","0.003","7.0118","0.0019","16.046","0.005","90","","107.784","0.003","90","","1144.8","0.6","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O5 -","- C11 H18 O5 -","- C44 H72 O20 -","4","1","","Nicole M. Cain; Edward R. T. Tiekink; Dennis K. Taylor","Ozonolysis of Bicyclic 1,2-Dioxines: Initial Scope and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","3808","3819","10.1021/jo3001518","","","0.71073","MoKα","","0.047","0.044","","","0.112","0.115","","","","","","1.06","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027155","10.15","0.006","13.718","0.008","26.178","0.015","90","","90","","90","","3645","4","223.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O8 -","- C18 H24 O8 -","- C144 H192 O64 -","8","2","","Jaideep Saha; Chris Lorenc; Bikash Surana; Mark W. Peczuh","Discovery of a Phosphine-Mediated Cycloisomerization of Alkynyl Hemiketals: Access to Spiroketals and Dihydropyrazoles via Tandem Reactions","Journal of Organic Chemistry","2012","77","","3846","3858","10.1021/jo3001854","","","0.71075","MoKα","","","0.0765","","","","0.1871","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027156","6.9074","0.0014","8.0365","0.0016","12.211","0.002","101.66","0.03","92.96","0.03","96.79","0.03","657.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N O S -","- C7 H5 N O S -","- C28 H20 N4 O4 S4 -","4","2","","Fei Wang; Chao Chen; Geng Deng; Chanjuan Xi","Concise Approach to Benzisothiazol-3(2H)-one via Copper-Catalyzed Tandem Reaction of o-Bromobenzamide and Potassium Thiocyanate in Water","Journal of Organic Chemistry","2012","77","","4148","4151","10.1021/jo300250x","","","0.71073","MoKα","","0.0511","0.0463","","","0.125","0.1333","","","","","","0.574","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027157","6.0223","0.0012","15.207","0.003","22.588","0.005","90","","93.22","0.03","90","","2065.4","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N2 O5 -","- C23 H17 Cl N2 O5 -","- C92 H68 Cl4 N8 O20 -","4","2","","Yan Wang; Li Liu; Tao Zhang; Neng-Jun Zhong; Dong Wang; Yong-Jun Chen","Diastereo- and Enantioselective [3 + 2] Cycloaddition Reaction of Morita-Baylis-Hillman Carbonates of Isatins with N-Phenylmaleimide Catalyzed by Me-DuPhos","Journal of Organic Chemistry","2012","77","","4143","4147","10.1021/jo3002535","","","0.71073","MoKα","","0.0727","0.0646","","","0.1257","0.1313","","","","","","1.122","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027158","12.9522","0.0005","5.9178","0.0002","14.1782","0.0005","90","","115.842","0.002","90","","978.06","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Silvia Padilla; Javier Adrio; Juan C. Carretero","Au-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Isocyanoacetates with Maleimides","Journal of Organic Chemistry","2012","77","","4161","4166","10.1021/jo3003425","","","0.71073","MoKα","","0.054","0.0398","","","0.0926","0.1151","","","","","","1.118","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027159","8.992","0.009","12.614","0.012","17.079","0.016","90","","90","","90","","1937","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Silvia Padilla; Javier Adrio; Juan C. Carretero","Au-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Isocyanoacetates with Maleimides","Journal of Organic Chemistry","2012","77","","4161","4166","10.1021/jo3003425","","","0.71073","MoKα","","0.1337","0.0822","","","0.195","0.2338","","","","","","1","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027160","12.252","0.004","19.841","0.009","15.137","0.004","90","","97.94","0.02","90","","3644","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","syn-3f_diastereomer","(3RS,4RS)-N-Boc-3-amino-2-methyldec-5-yn-4-ol","","- C16 H29 N O3 -","- C16 H29 N O3 -","- C128 H232 N8 O24 -","8","1","","Bartolo Gabriele; Lucia Veltri; Raffaella Mancuso; Giuseppe Salerno; Sabino Maggi; Brunella Maria Aresta","A Palladium Iodide-Catalyzed Carbonylative Approach to Functionalized Pyrrole Derivatives","Journal of Organic Chemistry","2012","77","","4005","4016","10.1021/jo300365n","","","0.71073","MoKα","","0.1932","0.0746","","","0.1487","0.1969","","","","","","1.014","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027161","8.9106","0.0018","9.2084","0.0018","15.012","0.003","72.43","0.03","79.1","0.03","75.78","0.03","1129.5","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","","Le Liu; Yanfeng Fan; Qiaoqiao He; Yun Zhang; Daisy Zhang-Negrerie; Jianhui Huang; Yunfei Du; Kang Zhao","Synthesis of Functionalized Fluorescent Indenes from Electron-Rich α-Aryl Ketonitriles","Journal of Organic Chemistry","2012","77","","3997","4004","10.1021/jo300367q","","","0.71073","MoKα","","0.0455","0.035","","","0.0934","0.0984","","","","","","1","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027162","7.2538","0.0003","11.4105","0.0006","17.027","0.0008","90","","90","","90","","1409.32","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cl F N -","- C14 H21 Cl F N -","- C56 H84 Cl4 F4 N4 -","4","1","","Julia A. Kalow; Dana E. Schmitt; Abigail G. Doyle","Synthesis of β-Fluoroamines by Lewis Base Catalyzed Hydrofluorination of Aziridines","Journal of Organic Chemistry","2012","77","","4177","4183","10.1021/jo300433a","","","1.54178","CuKα","","0.0199","0.0198","","","0.06","0.0601","","","","","","1.085","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027163","9.254","0.003","13.146","0.004","14.214","0.004","90","","90","","90","","1729.2","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0542","0.0427","","","0.1018","0.1082","","","","","","1.026","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027164","8.955","0.006","12.502","0.008","14.974","0.008","90","","90","","90","","1676.4","1.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.1185","0.0619","","","0.1206","0.1394","","","","","","1.02","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027165","8.0971","0.0019","13.771","0.003","16.156","0.004","90","","90","","90","","1801.5","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br N O2 S -","- C17 H22 Br N O2 S -","- C68 H88 Br4 N4 O8 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0605","0.037","","","0.0694","0.0758","","","","","","1.036","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027166","7.878","0.002","14.177","0.004","8.466","0.002","90","","104.818","0.004","90","","914.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O2 S -","- C17 H22 Br N O2 S -","- C34 H44 Br2 N2 O4 S2 -","2","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0735","0.047","","","0.093","0.1017","","","","","","1.027","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027167","8.0082","0.0011","14.727","0.002","14.749","0.002","90","","90","","90","","1739.4","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.077","0.0527","","","0.1179","0.1301","","","","","","1.032","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027168","10.9764","0.0017","5.7842","0.0009","13.26","0.002","90","","111.283","0.002","90","","784.5","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0402","0.0394","","","0.1069","0.1085","","","","","","1.02","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027169","13.427","0.003","11.024","0.0019","18.258","0.003","90","","108.236","0.003","90","","2566.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N2 O2 S -","- C32 H26 N2 O2 S -","- C128 H104 N8 O8 S4 -","4","1","","Li-Rong Wen; Yong-Jie Shi; Guang-Yuan Liu; Ming Li","Modulating the Reactivity of Functionalized N,S-Ketene Acetal in MCR: Selective Synthesis of Tetrahydropyridines and Thiochromeno[2,3-b]pyridines via DABCO-Catalyzed Tandem Annulation","Journal of Organic Chemistry","2012","77","","4252","4260","10.1021/jo202665q","","","0.71073","MoKα","","0.0625","0.0562","","","0.1096","0.1131","","","","","","1.17","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027170","9.5186","0.0018","17.509","0.004","15.532","0.003","90","","92.392","0.003","90","","2586.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 Cl2 N2 O2 S -","- C31 H20 Cl2 N2 O2 S -","- C124 H80 Cl8 N8 O8 S4 -","4","1","","Li-Rong Wen; Yong-Jie Shi; Guang-Yuan Liu; Ming Li","Modulating the Reactivity of Functionalized N,S-Ketene Acetal in MCR: Selective Synthesis of Tetrahydropyridines and Thiochromeno[2,3-b]pyridines via DABCO-Catalyzed Tandem Annulation","Journal of Organic Chemistry","2012","77","","4252","4260","10.1021/jo202665q","","","0.71073","MoKα","","0.0688","0.0606","","","0.1286","0.1339","","","","","","1.16","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027171","8.1755","0.0011","24.597","0.003","10.5038","0.0014","90","","96.984","0.003","90","","2096.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C88 H100 N12 O24 -","4","1","","Chun-Fang Wu; Xin Zhao; Wen-Xian Lan; Chunyang Cao; Jin-Tao Liu; Xi-Kui Jiang; Zhan-Ting Li","A 1,4-Diphenyl-1,2,3-Triazole-Based β-Turn Mimic Constructed by Click Chemistry","Journal of Organic Chemistry","2012","77","","4261","4270","10.1021/jo300063u","","","0.71073","MoKα","","0.1157","0.0647","","","0.1687","0.1925","","","","","","0.928","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027172","26.1638","0.0012","13.1605","0.0004","14.4032","0.0006","90","","118.224","0.005","90","","4369.8","0.4","293","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N4 O10 S4 -","- C23 H20 N2 O5 S2 -","- C184 H160 N16 O40 S16 -","8","1","","Margherita Barbero; Silvano Cadamuro; Fabrizio Cauda; Stefano Dughera; Giuliana Gervasio; Paolo Venturello","Preparation and Characterization of Aryl or Heteroaryl(3-indolyl)methyliumo-Benzenedisulfonimides","Journal of Organic Chemistry","2012","77","","4278","4287","10.1021/jo300099y","","","0.7107","MoKα","","0.1588","0.041","","","0.0817","0.0961","","","","","","0.821","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027173","15.393","0.002","10.506","0.0017","15.698","0.003","90","","95.853","0.002","90","","2525.4","0.7","150","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Br2 Cl2 In2 O4 -","- C16 H32 Br2 Cl2 In2 O4 -","- C64 H128 Br8 Cl8 In8 O16 -","4","1","","Lacie C. Hirayama; Terra D. Haddad; Allen G. Oliver; Bakthan Singaram","Direct Synthesis of B-Allyl and B-Allenyldiisopinocampheylborane Reagents Using Allyl or Propargyl Halides and Indium Metal Under Barbier-Type Conditions","Journal of Organic Chemistry","2012","77","","4342","4353","10.1021/jo300260a","","","0.71073","MoKα","","0.0596","0.0433","","","0.1082","0.1186","","","","","","1.027","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027174","35.7085","0.0018","9.474","0.0005","32.0035","0.0016","90","","106.182","0.004","90","","10397.9","0.9","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound 5","2,11-bis-(CC-C6H4-I-3),-3,6,7,10-tetra-OC6H13-triphenylene","","- C58 H66 I2 O4 -","- C58 H66 I2 O4 -","- C464 H528 I16 O32 -","8","1","","Liang Zhang; David L. Hughes; Andrew N. Cammidge","Discotic Triphenylene Twins Linked through Thiophene Bridges: Controlling Nematic Behavior in an Intriguing Class of Functional Organic Materials","Journal of Organic Chemistry","2012","77","","4288","4297","10.1021/jo3002886","","","0.71073","Mo-Kα","","0.1808","0.1477","","","0.2102","0.2219","","","","","","1.348","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027175","22.5705","0.0017","22.5705","0.0017","8.0007","0.0006","90","","90","","90","","4075.8","0.5","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C184 H200 N8 O24 S8 -","8","1","","Nicolas Kern; Aurélien Blanc; Solène Miaskiewicz; Michelle Robinette; Jean-Marc Weibel; Patrick Pale","Coinage Metals-Catalyzed Cascade Reactions of Aryl Alkynylaziridines: Silver(I)-Single vs Gold(I)-Double Cyclizations","Journal of Organic Chemistry","2012","77","","4323","4341","10.1021/jo300294r","","","0.71073","MoKα","","0.1159","0.0597","","","0.1203","0.1413","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027176","7.4418","0.0009","9.7027","0.0012","16.862","0.002","90","","90","","90","","1217.5","0.3","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N O2 S -","- C11 H17 N O2 S -","- C44 H68 N4 O8 S4 -","4","1","","Xiaofei Sun; Xingzhao Tu; Chuan Dai; Xiaoping Zhang; Binbin Zhang; Qingle Zeng","Palladium-Catalyzed C-N Cross Coupling of Sulfinamides and Aryl Halides","Journal of Organic Chemistry","2012","77","","4454","4459","10.1021/jo3003584","","","0.7107","MoKα","","0.0576","0.0428","","","0.0836","0.0916","","","","","","1.099","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027177","20.608","0.005","9.544","0.002","15.325","0.004","90","","90","","90","","3014.2","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H16 N O3 -","- C17 H16 N O3 -","- C136 H128 N8 O24 -","8","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1361","0.0803","","","0.1989","0.2305","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027178","9.425","0.002","9.795","0.002","19.043","0.005","88.577","0.005","76.249","0.004","74.04","0.004","1640.3","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","2","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1294","0.0668","","","0.1685","0.2066","","","","","","1.036","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027179","13.176","0.003","7.9947","0.0016","17.487","0.004","90","","98.144","0.004","90","","1823.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1682","0.0649","","","0.1337","0.1688","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027180","8.584","0.004","9.358","0.004","30.734","0.013","90","","93.044","0.008","90","","2465.4","1.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N O7 -","- C25 H32 N O7 -","- C100 H128 N4 O28 -","4","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1099","0.0756","","","0.2058","0.2326","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027181","9.6045","0.0005","17.108","0.0007","11.7885","0.0005","90","","97.614","0.004","90","","1919.93","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","","Abdolali Alizadeh; Atieh Rezvanian; Long-Guan Zhu","Synthesis of Heterocyclic [3.3.3]Propellanes via a Sequential Four-Component Reaction","Journal of Organic Chemistry","2012","77","","4385","4390","10.1021/jo300457m","","","0.71073","MoKα","","0.1026","0.0784","","","0.224","0.2532","","","","","","0.986","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027182","9.9784","0.0005","13.6537","0.0007","14.6285","0.0007","90","","104.214","0.005","90","","1932","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O6 -","- C21 H19 N3 O6 -","- C84 H76 N12 O24 -","4","1","","Abdolali Alizadeh; Atieh Rezvanian; Long-Guan Zhu","Synthesis of Heterocyclic [3.3.3]Propellanes via a Sequential Four-Component Reaction","Journal of Organic Chemistry","2012","77","","4385","4390","10.1021/jo300457m","","","0.71073","MoKα","","0.0528","0.0371","","","0.0961","0.1095","","","","","","0.91","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027183","9.543","0.012","10.96","0.013","27.61","0.03","90","","90","","90","","2888","6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Br Cl2 N O3 -","- C31 H32 Br Cl2 N O3 -","- C124 H128 Br4 Cl8 N4 O12 -","4","1","","Jing Nie; Ming-Qing Hua; Heng-Ying Xiong; Yan Zheng; Jun-An Ma","Asymmetric Phase-Transfer-Catalyzed Conjugate Addition of Glycine Imine to Exocyclic α,β-Unsaturated Ketones: Construction of Polycyclic Imines Containing Three Stereocenters","Journal of Organic Chemistry","2012","77","","4209","4216","10.1021/jo300500r","","","0.71073","MoKα","","0.1514","0.1261","","","0.3521","0.3733","","","","","","1.301","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027184","22.202","0.005","5.6791","0.0011","16.357","0.003","90","","103.799","0.014","90","","2002.9","0.7","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H23 N -","- C27 H23 N -","- C108 H92 N4 -","4","1","","Yilin Liu; Ziping Cao; Haifeng Du","Asymmetric Allylic Alkylation of Pyrroles and 4,7-Dihydroindoles with Alkene-Phosphine Ligands","Journal of Organic Chemistry","2012","77","","4479","4483","10.1021/jo300539y","","","1.54186","CuKα","","0.083","0.0649","","","0.1406","0.1529","","","","","","1.141","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027185","10.0388","0.0003","18.6942","0.0005","10.7459","0.0003","90","","98.576","0.001","90","","1994.11","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0596","0.0388","","","0.096","0.1073","","","","","","1.04","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027186","14.6915","0.0018","12.6135","0.0016","11.3554","0.0014","90","","104.313","0.001","90","","2039","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0746","0.0454","","","0.1112","0.1283","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4027187","7.924","0.003","9.569","0.004","13.406","0.005","74.476","0.004","80.638","0.004","77.042","0.004","948.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 F O3 -","- C16 H25 F O3 -","- C32 H50 F2 O6 -","2","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0774","0.0502","","","0.1309","0.1436","","","","","","1.002","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027188","7.8181","0.001","10.983","0.0013","11.1607","0.0015","89.577","0.015","79.907","0.015","80.382","0.015","930","0.2","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N4 O2 S -","- C20 H22 N4 O2 S -","- C40 H44 N8 O4 S2 -","2","1","","Gwenaelle Bouscary-Desforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Access and Regioselective Transformations of 6-Substituted 4-Aryl-2,8-dichloropyrido[3,2-d]pyrimidine Compounds","Journal of Organic Chemistry","2012","77","","4586","4595","10.1021/jo300189q","","","0.71073","MoKα","","","0.036","","","","0.035","","","","","","1.16","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027189","10.2751","0.0003","11.4027","0.0002","13.4566","0.0004","90","","112.131","0.004","90","","1460.47","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54184","CuKα","","","0.0624","","","","0.1914","","","","","","1.051","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027190","9.6033","0.0006","13.7896","0.0008","11.3522","0.0006","90","","90","","90","","1503.32","0.15","293","2","293","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54179","CuKα","","","0.0867","","","","0.2807","","","","","","1.068","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027191","12.2521","0.0002","12.6316","0.0002","9.1798","0.0001","90","","90","","90","","1420.7","0.04","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54184","CuKα","","","0.0373","","","","0.101","","","","","","1.051","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027192","10.5574","0.0006","17.5629","0.0011","18.0754","0.0011","65.971","0.003","83.37","0.003","85.089","0.003","3037.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H95 N7 O25 -","- C51 H93 N7 O25 -","- C102 H186 N14 O50 -","2","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Dicarboxylate Recognition by Two Macrobicyclic Receptors: Selectivity for Fumarate over Maleate","Journal of Organic Chemistry","2012","77","","4611","4621","10.1021/jo300320w","","","0.71073","MoKα","","0.0625","0.0454","","","0.1236","0.1367","","","","","","1.05","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027193","14.1666","0.0005","23.7321","0.0009","22.6743","0.0008","90","","93.267","0.002","90","","7610.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H98 N7 O32.5 -","- C55.5 H75 N7 O32.5 -","- C222 H300 N28 O130 -","4","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Dicarboxylate Recognition by Two Macrobicyclic Receptors: Selectivity for Fumarate over Maleate","Journal of Organic Chemistry","2012","77","","4611","4621","10.1021/jo300320w","","","0.71073","MoKα","","0.1253","0.0904","","","0.2624","0.2953","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027194","10.68","0.03","15.07","0.06","15.07","0.06","64.99","0.02","78.7","0.02","78.7","0.02","2138","13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N O4.5 S -","- C23 H26 N O4.5 S -","- C92 H104 N4 O18 S4 -","4","2","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.051","","","","0.124","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027195","11.143","0.003","12.249","0.003","15.112","0.004","90","","94.278","0.008","90","","2056.9","0.9","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.042","","","","0.055","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027196","7.98","0.002","20.081","0.006","12.971","0.004","90","","90.084","0.009","90","","2078.6","1","140","","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.71075","MoKα","","0.1025","0.0806","","","0.2453","0.2693","","","","","","1.101","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027197","15.198","0.011","15.97","0.02","18.368","0.013","90","","97.46","0.005","90","","4420","7","150.1","","150.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 Cl2 N2 O8 S2 -","- C47 H52 Cl2 N2 O8 S2 -","- C188 H208 Cl8 N8 O32 S8 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.066","","","","0.166","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027198","11.064","0.007","15.26","0.01","14.585","0.01","90","","100.06","0.02","90","","2425","3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl3 N O4 S -","- C24 H25 Cl3 N O4 S -","- C96 H100 Cl12 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.71075","MoKα","","","0.1498","","","","0.3072","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027199","7.149","0.005","9.428","0.006","14.029","0.01","78.84","0.03","78.62","0.03","80.2","0.03","900.8","1.1","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H15 N -","- C28 H15 N -","- C56 H30 N2 -","2","1","","Tomohito Ide; Sho Sakamoto; Daisuke Takeuchi; Kohtaro Osakada; Shigeru Machida","Strained and Unstrained Macrocycles Composed of Carbazole and Butadiyne Units: Electronic State and Optical Properties","Journal of Organic Chemistry","2012","77","","4837","4841","10.1021/jo300441k","","","0.7107","MoKα","","","0.0758","","","","0.207","","","","","","1.825","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027200","8.413","0.004","11.5095","0.0013","21.036","0.003","90","","90","","90","","2036.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O2 S -","- C23 H24 N2 O2 S -","- C92 H96 N8 O8 S4 -","4","1","","Damien Cartigny; Farouk Berhal; Takuto Nagano; Phannarath Phansavath; Tahar Ayad; Jean-Pierre Genêt; Takashi Ohshima; Kazushi Mashima; Virginie Ratovelomanana-Vidal","General Asymmetric Hydrogenation of 2-Alkyl- and 2-Aryl-Substituted Quinoxaline Derivatives Catalyzed by Iridium-Difluorphos: Unusual Halide Effect and Synthetic Application","Journal of Organic Chemistry","2012","77","","4544","4556","10.1021/jo300455y","","","1.54184","CuKα","","0.0442","0.0375","","","0.0972","0.1023","","","","","","1.032","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027201","16.1291","0.0016","7.6863","0.0007","16.5264","0.0016","90","","118.686","0.002","90","","1797.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Manjinder S. Lall; Garrett Hoge; Tuan P. Tran; William Kissel; Sean T. Murphy; Clarke Taylor; Kim Hutchings; Brian Samas; Edmund L. Ellsworth; Timothy Curran; H. D. Hollis Showalter","Stereoselective Synthesis of (S)-3-(Methylamino)-3-((R)-pyrrolidin-3-yl)propanenitrile","Journal of Organic Chemistry","2012","77","","4732","4739","10.1021/jo3004716","","","0.71073","MoKα","","0.107","0.0605","","","0.1249","0.1441","","","","","","1.046","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027202","13.7269","0.001","11.5617","0.0008","15.2996","0.0011","90","","98.286","0.002","90","","2402.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 F3 N2 O4 -","- C25 H29 F3 N2 O4 -","- C100 H116 F12 N8 O16 -","4","1","","James C. Anderson; Alexander J. Blake; Paul J. Koovits; Gregory J. Stepney","Diastereoselective Reductive Nitro-Mannich Reactions","Journal of Organic Chemistry","2012","77","","4711","4724","10.1021/jo300535h","","","0.71073","MoKα","","0.0591","0.044","","","0.105","0.11","","","","","","0.99","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027203","10.8003","0.0008","15.5619","0.0011","13.3428","0.001","90","","98.359","0.002","90","","2218.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 N2 O5 -","- C23 H21 F3 N2 O5 -","- C92 H84 F12 N8 O20 -","4","1","","James C. Anderson; Alexander J. Blake; Paul J. Koovits; Gregory J. Stepney","Diastereoselective Reductive Nitro-Mannich Reactions","Journal of Organic Chemistry","2012","77","","4711","4724","10.1021/jo300535h","","","0.71073","MoKα","","0.0532","0.0476","","","0.132","0.137","","","","","","1.05","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027204","11.0621","0.0005","17.185","0.0007","19.0239","0.0008","90","","90","","90","","3616.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Br N2 P Pd -","- C45 H38 Br N2 P Pd -","- C180 H152 Br4 N8 P4 Pd4 -","4","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0719","0.0462","","","0.0917","0.0995","","","","","","1.044","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027205","11.0806","0.0006","16.439","0.0009","11.2749","0.0007","90","","114.756","0.001","90","","1865.03","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H35 Cl6 N2 P Pd -","- C37 H35 Cl6 N2 P Pd -","- C74 H70 Cl12 N4 P2 Pd2 -","2","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0311","0.0284","","","0.0594","0.0602","","","","","","0.997","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027206","8.2495","0.0003","15.617","0.0005","21.9201","0.0006","90","","90","","90","","2824.02","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Cl2 N2 P Pd -","- C29 H35 Cl2 N2 P Pd -","- C116 H140 Cl8 N8 P4 Pd4 -","4","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0347","0.0306","","","0.0687","0.0709","","","","","","1.017","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027207","10.998","0.002","13.506","0.003","10.615","0.002","90","","104.76","0.03","90","","1524.7","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0696","0.0615","","","0.122","0.1268","","","","","","1.156","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027208","12.119","0.002","12.595","0.003","17.064","0.005","90","","131.633","0.018","90","","1946.7","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 I O2 -","- C21 H27 I O2 -","- C84 H108 I4 O8 -","4","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0618","0.0501","","","0.0954","0.0995","","","","","","1.228","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027209","10.696","0.002","10.81","0.002","21.42","0.004","87.582","0.009","87.472","0.009","66.488","0.005","2268","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 Li2 O5 -","- C52 H62 Li2 O5 -","- C104 H124 Li4 O10 -","2","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0943","0.0823","","","0.1783","0.1866","","","","","","1.146","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027210","36.7114","0.0004","36.7114","0.0004","6.5334","0.0001","90","","90","","90","","8805.24","0.19","120","2","120","2","","","","","","","","4","I 4","I 4","79","","","","- C19 H26 N2 O8 -","- C19 H26 N2 O8 -","- C304 H416 N32 O128 -","16","2","","Jory Lietard; Christian J. Leumann","Synthesis, Pairing, and Cellular Uptake Properties of C(6')-Functionalized Tricyclo-DNA","Journal of Organic Chemistry","2012","77","","4566","4577","10.1021/jo300648u","","","0.71073","MoKα","","0.1122","0.076","","","0.1836","0.2037","","","","","","1.026","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027211","7.4477","0.0003","12.7681","0.0005","19.9691","0.0007","99.9974","0.0015","94.1978","0.0014","98.252","0.002","1841.32","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","5a","5a","","- C23 H17 Br O5 -","- C23 H17 Br O5 -","- C92 H68 Br4 O20 -","4","2","","Shuhei Azuma; Kazuyuki Nishio; Konomi Kubo; Takahiro Sasamori; Norihiro Tokitoh; Kouji Kuramochi; Kazunori Tsubaki","Three Different Dimerizations of 2-Bromo-3-methyl-1,4-naphthoquinones","Journal of Organic Chemistry","2012","77","","4812","4820","10.1021/jo300696m","","","0.71075","MoKα","","0.0683","0.0426","","","0.0934","0.1052","","","","","","1.014","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027212","7.7643","0.0002","8.4551","0.0004","14.7234","0.0007","78.003","0.002","82.8791","0.0015","62.504","0.0018","838.22","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","8a","8a","","- C22 H13 Br O4 -","- C22 H13 Br O4 -","- C44 H26 Br2 O8 -","2","1","","Shuhei Azuma; Kazuyuki Nishio; Konomi Kubo; Takahiro Sasamori; Norihiro Tokitoh; Kouji Kuramochi; Kazunori Tsubaki","Three Different Dimerizations of 2-Bromo-3-methyl-1,4-naphthoquinones","Journal of Organic Chemistry","2012","77","","4812","4820","10.1021/jo300696m","","","0.71075","MoKα","","0.0319","0.0271","","","0.0635","0.0651","","","","","","1.066","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027213","13.3456","0.0017","13.9614","0.0018","17.993","0.002","80.542","0.004","76.244","0.004","81.536","0.004","3191.6","0.7","142","2","142","2","","","","","","","","8","P 1","P 1","1","","","","- C63 H54 B F24 Ir N O2 P -","- C63 H54 B F24 Ir N O2 P -","- C126 H108 B2 F48 Ir2 N2 O4 P2 -","2","2","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0702","0.0613","","","0.1567","0.1643","","","","","","1.075","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027214","18.343","0.003","19.435","0.004","36.805","0.007","90","","90","","90","","13121","4","122","2","122","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C64 H56 B F24 Ir N O2 P -","- C64 H56 B F24 Ir N O2 P -","- C512 H448 B8 F192 Ir8 N8 O16 P8 -","8","1","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0459","0.0354","","","0.0741","0.0775","","","","","","1.038","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027215","13.3687","0.0003","13.9471","0.0002","18.1489","0.0004","80.297","0.001","75.627","0.001","81.943","0.001","3213.96","0.11","152","2","152","2","","","","","","","","9","P 1","P 1","1","","","","- C63 H54 B F24 Ir N O P S -","- C63 H54 B F24 Ir N O P S -","- C126 H108 B2 F48 Ir2 N2 O2 P2 S2 -","2","2","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0547","0.0451","","","0.1189","0.1243","","","","","","1.045","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027216","7.2223","0.0006","8.8729","0.0007","10.2165","0.0008","97.124","0.007","97.815","0.007","106.878","0.008","611.38","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O3 -","- C12 H20 O3 -","- C24 H40 O6 -","2","1","","Björn Nelson; Sonja Herres-Pawlis; Wolf Hiller; Hans Preut; Carsten Strohmann; Martin Hiersemann","Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes: A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle","Journal of Organic Chemistry","2012","77","","4980","4995","10.1021/jo3004088","","","0.71073","MoKα","","0.0481","0.0372","","","0.0993","0.1024","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027217","9.0823","0.0009","11.2934","0.0007","11.7674","0.0016","87.965","0.007","72.478","0.01","77.756","0.007","1124.3","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H36 O6 -","- C22 H36 O6 -","- C44 H72 O12 -","2","1","","Björn Nelson; Sonja Herres-Pawlis; Wolf Hiller; Hans Preut; Carsten Strohmann; Martin Hiersemann","Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes: A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle","Journal of Organic Chemistry","2012","77","","4980","4995","10.1021/jo3004088","","","0.71073","MoKα","","0.1234","0.0674","","","0.2488","0.258","","","","","","1.181","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4027218","6.4296","0.001","11.576","0.002","13.443","0.003","88.587","0.011","77.275","0.009","75.406","0.01","944","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Indoline","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C44 H38 N2 O6 S2 -","2","1","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0518","0.0425","","","0.1186","0.131","","","","","","0.717","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027219","9.8549","0.001","12.8504","0.0013","15.1652","0.0015","88.796","0.005","74.623","0.005","86.501","0.005","1848.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Indole","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","2","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0723","0.0498","","","0.1401","0.1628","","","","","","0.872","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027220","11.5728","0.0013","13.8184","0.0016","14.6931","0.0016","90","","97.691","0.005","90","","2328.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetrahydroquinoline","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C100 H88 F12 N4 O12 S4 -","4","1","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0818","0.0705","","","0.2407","0.2524","","","","","","1.931","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027221","52.736","0.005","8.718","0.002","8.401","0.002","90","","95.568","0.005","90","","3844.2","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 B F2 N3 O3 -","- C19 H24 B F2 N3 O3 -","- C152 H192 B8 F16 N24 O24 -","8","1","","Gilles Ulrich; Alexandre Haefele; Pascal Retailleau; Raymond Ziessel","Carbonyl Derivatives of Boradiazaindacene via Catalytic CO Insertion","Journal of Organic Chemistry","2012","77","","5036","5048","10.1021/jo300477p","","","0.71069","MoKα","","0.0875","0.0605","","","0.1519","0.1738","","","","","","1.055","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027222","7.702","0.002","11.706","0.003","17.463","0.005","106.33","0.008","96.692","0.005","92.331","0.005","1496.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H35 B F2 N2 O4 -","- C33 H35 B F2 N2 O4 -","- C66 H70 B2 F4 N4 O8 -","2","1","","Gilles Ulrich; Alexandre Haefele; Pascal Retailleau; Raymond Ziessel","Carbonyl Derivatives of Boradiazaindacene via Catalytic CO Insertion","Journal of Organic Chemistry","2012","77","","5036","5048","10.1021/jo300477p","","","0.71069","MoKα","","0.1309","0.0947","","","0.2305","0.2481","","","","","","1.148","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027223","4.05","0.0013","16.162","0.005","5.946","0.002","90","","94.298","0.018","90","","388.1","0.2","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C20 H16 O4 -","2","1","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0682","0.0534","","","0.1423","0.1518","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027224","7.5014","0.0003","11.778","0.0005","16.6978","0.0006","109.783","0.002","96.555","0.002","95.722","0.002","1363.95","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H48 O10 -","- C75 H48 O10 -","- C75 H48 O10 -","1","0.5","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0847","0.0739","","","0.1633","0.1674","","","","","","1.246","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027225","7.23","0.0003","11.86","0.0004","11.276","0.0005","90","","96.494","0.002","90","","960.69","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","2","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0741","0.0606","","","0.1805","0.2005","","","","","","1.093","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027226","13.7031","0.0006","11.587","0.0006","9.2497","0.0006","90","","103.61","0.002","90","","1427.41","0.13","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0923","0.052","","","0.1356","0.1951","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027227","12.7013","0.0016","13.3293","0.0016","15.6503","0.0019","90","","106.462","0.007","90","","2541","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O2 -","- C28 H26 N4 O2 -","- C112 H104 N16 O8 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.2668","0.0628","","","0.1382","0.2161","","","","","","0.804","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027228","9.8152","0.0006","10.6246","0.0005","17.8012","0.0008","90","","90","","90","","1856.35","0.17","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H15 Cl2 N3 O -","- C20 H15 Cl2 N3 O -","- C80 H60 Cl8 N12 O4 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0809","0.0452","","","0.1166","0.138","","","","","","0.836","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027229","9.2005","0.0005","12.503","0.0006","17.8158","0.0009","90","","90","","90","","2049.42","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.1198","0.0473","","","0.0884","0.1069","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027230","19.1122","0.0016","12.5233","0.001","7.4703","0.0006","90","","100.455","0.004","90","","1758.3","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","0.5","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0602","0.0512","","","0.1541","0.1651","","","","","","1.281","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027231","9.8369","0.0015","4.7221","0.0008","11.647","0.0018","90","","91.268","0.01","90","","540.88","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0381","0.0351","","","0.0864","0.0887","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027232","5.8381","0.0013","11.958","0.003","12.782","0.003","106.642","0.019","92.54","0.02","91.559","0.019","853.4","0.4","298","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Cl2 N3 -","- C20 H13 Cl2 N3 -","- C40 H26 Cl4 N6 -","2","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.1106","0.0811","","","0.2055","0.2311","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027233","20.0342","0.0007","8.4347","0.0003","6.9512","0.0002","90","","95.392","0.002","90","","1169.43","0.07","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 F N2 O4 -","- C12 H15 F N2 O4 -","- C48 H60 F4 N8 O16 -","4","1","","Punit P. Seth; Jinghua Yu; Ali Jazayeri; Pradeep S. Pallan; Charles R Allerson; Michael E. Østergaard; Fengwu Liu; Piet Herdewijn; Martin Egli; Eric E. Swayze","Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA","Journal of Organic Chemistry","2012","77","","5074","5085","10.1021/jo300594b","","","1.54178","CuKα","","0.0254","0.0249","","","0.0645","0.0649","","","","","","1.054","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027234","9.5109","0.0012","17.89","0.002","10.9068","0.0013","90","","99.108","0.002","90","","1832.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Xiao-Dan Han; Yu-Long Zhao; Jia Meng; Chuan-Qing Ren; Qun Liu","Synthesis of Acridines and Persubstituted Phenols from Cyclobutenones and Active Methylene Ketones","Journal of Organic Chemistry","2012","77","","5173","5178","10.1021/jo300615t","","","0.71073","MoKα","","0.1289","0.072","","","0.1749","0.2117","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027235","9.7188","0.0009","9.6693","0.0009","22.025","0.002","90","","90.29","0.001","90","","2069.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","","Xiao-Dan Han; Yu-Long Zhao; Jia Meng; Chuan-Qing Ren; Qun Liu","Synthesis of Acridines and Persubstituted Phenols from Cyclobutenones and Active Methylene Ketones","Journal of Organic Chemistry","2012","77","","5173","5178","10.1021/jo300615t","","","0.71073","MoKα","","0.0495","0.0386","","","0.0953","0.1025","","","","","","1.054","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027236","11.6744","0.0011","18.397","0.0011","7.8711","0.0007","90","","114.956","0.004","90","","1532.7","0.2","293.1","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H20 O8 -","- C14 H20 O8 -","- C56 H80 O32 -","4","1","","Arif Baran; Sinem Çambul; Mehmet Nebioglu; Metin Balci","Design, Synthesis, and Biological Activities of Some Branched Carbasugars: Construction of a Substituted 6-Oxabicyclo[3.2.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","5086","5097","10.1021/jo300655p","","","0.7107","MoKα","","","0.059","","","","0.083","","","","","","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027237","4.8321","0.0007","21.157","0.003","6.4661","0.0009","90","","95.816","0.003","90","","657.64","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O5 S -","- C12 H13 O5 S -","- C24 H26 O10 S2 -","2","1","","Antonio Latorre; Irakusne López; Victoria Ramírez; Santiago Rodríguez; Javier Izquierdo; Florenci V. González; Cristian Vicent","Radical Mechanism in the Elimination of 2-Arylsulfinyl Esters","Journal of Organic Chemistry","2012","77","","5191","5197","10.1021/jo300699w","","","0.71073","MoKα","","0.0685","0.0424","","","0.0928","0.1034","","","","","","1.03","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027238","6.175","0.0003","12.2731","0.0007","18.6361","0.001","90","","93.8223","0.0007","90","","1409.22","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","0.71073","MoKα","","0.0427","0.0349","","","0.0908","0.0965","","","","","","1.04","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027239","7.5236","0.0006","9.5911","0.0007","8.5262","0.0007","90","","105.191","0.0009","90","","593.75","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","0.71073","MoKα","","0.0348","0.0321","","","0.0787","0.0806","","","","","","1.06","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027240","12.8042","0.0003","6.8053","0.0002","11.993","0.0003","90","","115.906","0.001","90","","940.01","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","1.54178","CuKα","","0.0441","0.0397","","","0.1162","0.128","","","","","","1.145","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027241","8.66143","0.00018","8.7821","0.00017","11.5908","0.0002","90","","90","","90","","881.66","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C24 H44 N4 O24 S4 -","4","1","","Vincent Gauchot; Andreea R. Schmitzer","Asymmetric Aldol Reaction Catalyzed by the Anion of an Ionic Liquid","Journal of Organic Chemistry","2012","77","","4917","4923","10.1021/jo300737u","","","1.54178","CuKα","","0.0229","0.0225","","","0.0615","0.0618","","","","","","1.092","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027242","8.189","0.0006","7.185","0.0005","11.259","0.0007","90","","93.555","0.002","90","","661.18","0.08","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl F O3 -","- C14 H12 Cl F O3 -","- C28 H24 Cl2 F2 O6 -","2","1","","Yunkui Liu; Jie Zhu; Jianqiang Qian; Zhenyuan Xu","Gold-Catalyzed Simultaneous Formation of C-C, C=O, and C-F bonds in the Presence of Selectfluor: A Synthesis of Fluoroindenes from Allene Esters","Journal of Organic Chemistry","2012","77","","5411","5417","10.1021/jo3006528","","","0.71073","MoKα","","0.1222","0.0478","","","0.1115","0.1494","","","","","","1","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027243","6.8882","0.0005","20.8439","0.0015","8.2554","0.0006","90","","90.028","0.001","90","","1185.29","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","","Xinfang Xu; Dmitry Shabashov; Peter Y. Zavalij; Michael P. Doyle","Substrate-Dependent Divergent Outcomes from Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides: Azabicyclo[3.1.0]hexanes or 5-Arylaminofuran-2(3H)-ones","Journal of Organic Chemistry","2012","77","","5313","5317","10.1021/jo3006733","","","0.71073","MoKα","","0.0379","0.035","","","0.0702","0.0714","","","","","","1","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027244","20.464","0.003","6.1223","0.0009","19.024","0.003","90","","114.916","0.006","90","","2161.6","0.6","143","1","143","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F2 N2 O5 -","- C21 H30 F2 N2 O5 -","- C84 H120 F8 N8 O20 -","4","1","","Grant R. Krow; Matthew D. Shoulders; Ramakrishna Edupuganti; Deepa Gandla; Fang Yu; Philip E. Sonnet; Matthew Sender; Amit Choudhary; Charles DeBrosse; Charles W. Ross; Patrick Carroll; Ronald T. Raines","Synthesis of 5-Fluoro- and 5-Hydroxymethanoprolines via Lithiation of N-BOC-methanopyrrolidines. Constrained Cγ-Exo and Cγ-Endo Flp and Hyp Conformer Mimics","Journal of Organic Chemistry","2012","77","","5331","5344","10.1021/jo300700a","","","0.71073","MoKα","","0.1687","0.1252","","","0.3161","0.3533","","","","","","1.087","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027245","13.0951","0.001","9.4194","0.0007","20.0552","0.0012","90","","117.713","0.004","90","","2190","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 O7 P -","- C22 H27 O7 P -","- C88 H108 O28 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0609","0.0498","","","0.1209","0.1268","","","","","","1.035","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027246","6.6332","0.0006","19.8814","0.0018","15.591","0.0014","90","","105.794","0.008","90","","1978.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 O2 P -","- C24 H21 O2 P -","- C96 H84 O8 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0699","0.0518","","","0.1222","0.1307","","","","","","1.026","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027247","12.678","0.002","17.397","0.003","17.716","0.005","90","","114.278","0.018","90","","3561.9","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 O2 P -","- C21 H17 O2 P -","- C168 H136 O16 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0952","0.0426","","","0.0823","0.0916","","","","","","0.866","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027248","9.892","0.003","11.884","0.004","18.63","0.006","97.442","0.005","98.266","0.006","90.151","0.005","2148.6","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 O2 P -","- C26 H25 O2 P -","- C104 H100 O8 P4 -","4","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0834","0.0674","","","0.1692","0.1789","","","","","","1.114","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027249","11.4961","0.0007","14.8975","0.0011","16.1208","0.0012","90","","132.778","0.004","90","","2026.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O2 P -","- C24 H23 O2 P -","- C96 H92 O8 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.1116","0.0584","","","0.0946","0.1145","","","","","","0.983","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027250","17.5578","0.0008","8.6412","0.0004","28.8289","0.0017","90","","90","","90","","4373.9","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Cl O2 P -","- C24 H24 Cl O2 P -","- C192 H192 Cl8 O16 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0636","0.0397","","","0.0831","0.0893","","","","","","0.95","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027251","6.6397","0.0001","9.9763","0.0002","7.518","0.0002","90","","92.753","0.001","90","","497.415","0.018","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","1","","Hyeon-Kyu Lee; Soyeong Kang; Eun Bok Choi","Stereoselective Synthesis of Norephedrine and Norpseudoephedrine by Using Asymmetric Transfer Hydrogenation Accompanied by Dynamic Kinetic Resolution","Journal of Organic Chemistry","2012","77","","5454","5460","10.1021/jo300867y","","","0.71073","MoKα","","0.0307","0.0289","","","0.0754","0.077","","","","","","1.029","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027252","7.7016","0.0003","13.849","0.0005","26.611","0.0011","90","","90","","90","","2838.31","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O7 -","- C32 H41 N O7 -","- C128 H164 N4 O28 -","4","1","","Alexey Yu. Sukhorukov; Yaroslav D. Boyko; Yulia V. Nelyubina; Stephane Gerard; Sema L. Ioffe; Vladimir A. Tartakovsky","Synthesis of PDE IVb Inhibitors. 3. Synthesis of (+)-, (-)-, and (\±)-7-[3-(Cyclopentyloxy)-4-methoxyphenyl]hexahydro-3H-pyrrolizin-3-one via Reductive Domino Transformations of 3-β-Carbomethoxyethyl-Substituted Six-Membered Cyclic Nitronates","Journal of Organic Chemistry","2012","77","","5465","5469","10.1021/jo300955n","","","0.71073","MoKα","","0.0402","0.034","","","0.0816","0.0857","","","","","","1.004","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027253","33.13","0.005","10.4844","0.0017","16.523","0.003","90","","111.386","0.003","90","","5344.1","1.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C232 H248 N24 O48 -","8","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0859","0.0437","","","0.0872","0.1026","","","","","","1.011","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027254","9.3727","0.0019","10.02","0.002","15.193","0.003","102.788","0.004","104.677","0.003","99.305","0.004","1309.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C58 H62 N6 O12 -","2","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0865","0.0673","","","0.1576","0.1703","","","","","","1.097","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027255","9.929","0.004","18.23","0.006","21.043","0.007","90","","90","","90","","3809","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0465","0.0448","","","0.1002","0.1013","","","","","","1.172","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027256","10.2239","0.0008","10.7231","0.0009","15.4953","0.0013","91.714","0.001","103.39","0.001","117.764","0.001","1443.5","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","2","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.043","0.0374","","","0.0941","0.0987","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027257","7.4388","0.0005","26.4633","0.0017","14.6237","0.001","90","","93.58","0.003","90","","2873.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N3 O8 -","- C31 H31 N3 O8 -","- C124 H124 N12 O32 -","4","2","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0527","0.0375","","","0.0752","0.0821","","","","","","1.047","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027258","15.345","0.002","11.1876","0.0018","12.2187","0.0019","90","","103.406","0.002","90","","2040.5","0.5","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H25 N O10 -","- C17 H25 N O10 -","- C68 H100 N4 O40 -","4","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0355","0.0351","","","0.0889","0.0894","","","","","","1.087","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027259","19.998","0.002","5.522","0.001","18.252","0.005","90","","96.127","0.005","90","","2004","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(4S,5S,6S)-N-benzyl-5-(benzylamino)-6-hydroxy-1,2,3-oxathiazepane -4-carboxamide 2,2-dioxide","","- C19 H23 N3 O5 S -","- C19 H23 N3 O5 S -","- C76 H92 N12 O20 S4 -","4","1","","Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd","Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2012","77","","5592","5599","10.1021/jo300468j","","","0.71069","MoKα","","0.0841","0.0564","","","0.099","0.1123","","","","","","1.104","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027260","6.465","0.004","6.493","0.004","17.064","0.008","90","","90","","90","","716.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","aziridino-γ-lactone","(2aS,2a1R,5aS)-tetrahydro-2H-1,4-dioxa-3-thia-2b- azacyclopropa[hi]inden-2-one 3,3-dioxide","","- C5 H5 N O5 S -","- C5 H5 N O5 S -","- C20 H20 N4 O20 S4 -","4","1","","Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd","Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2012","77","","5592","5599","10.1021/jo300468j","","","0.71073","MoKα","","0.0679","0.0647","","","0.1538","0.1553","","","","","","1.135","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027261","8.521","0.003","8.286","0.002","14.091","0.004","90","","102.858","0.005","90","","969.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Lilia Fuentes; Urbano Osorio; Leticia Quintero; Herbert Höpfl; Nixache Vázquez-Cabrera; Fernando Sartillo-Piscil","Direct Chemical Method for Preparing 2,3-Epoxyamides Using Sodium Chlorite","Journal of Organic Chemistry","2012","77","","5515","5524","10.1021/jo300542d","","","0.71073","MoKα","","0.0699","0.0497","","","0.1069","0.1243","","","","","","1.007","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027262","27.241","0.01","5.734","0.002","23.284","0.008","90","","112.558","0.007","90","","3359","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C160 H152 N8 O24 -","4","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.0865","0.0516","","","0.1279","0.1549","","","","","","1.013","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027263","4.8953","0.001","12.709","0.003","14.175","0.003","88.727","0.004","83.038","0.004","79.127","0.004","859.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 N6 O2 -","- C38 H50 N6 O2 -","- C38 H50 N6 O2 -","1","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.0703","0.0485","","","0.134","0.1562","","","","","","0.929","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027264","4.806","0.006","14.85","0.02","14.93","0.02","60.43","0.02","85.26","0.02","89.2","0.02","923","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N6 O2 -","- C40 H38 N6 O2 -","- C40 H38 N6 O2 -","1","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.2011","0.1","","","0.1992","0.2218","","","","","","0.998","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027265","9.2588","0.0005","9.4467","0.0005","12.5446","0.0007","90","","90","","90","","1097.21","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0431","0.032","","","0.0751","0.0784","","","","","","0.969","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027266","9.649","0.0005","5.8746","0.0003","12.3783","0.0007","90","","107.487","0.006","90","","669.23","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0472","0.0344","","","0.0707","0.0732","","","","","","0.926","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027267","7.2906","0.001","6.4842","0.0011","13.31","0.002","90","","104.68","0.01","90","","608.67","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0977","0.0686","","","0.17","0.1868","","","","","","1.18","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027268","10.0211","0.0005","5.8555","0.0002","11.9154","0.0006","90","","93.215","0.002","90","","698.08","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0454","0.0392","","","0.0939","0.097","","","","","","1.148","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027269","6.1373","0.0002","10.5263","0.0004","30.6532","0.0013","90","","90","","90","","1980.29","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O2 Si -","- C19 H36 O2 Si -","- C76 H144 O8 Si4 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0482","0.0344","","","0.0695","0.072","","","","","","0.92","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027270","6.4233","0.0005","9.7999","0.0007","8.5116","0.0007","90","","100.147","0.004","90","","527.41","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0493","0.0379","","","0.0895","0.0953","","","","","","1.081","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027271","5.8846","0.0004","9.0415","0.0005","26.2051","0.0014","90","","90","","90","","1394.26","0.14","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0552","0.0361","","","0.0696","0.0738","","","","","","0.894","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027272","14.752","0.004","10.622","0.006","18.402","0.007","90","0.05","99.04","0.02","90","0.03","2848","2","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenyl-TATA","4,8,12-Triphenyl-4,8,12-triazatriangulenium Tetrafluoroborate","","- C37 H24 B F4 N3 -","- C37 H24 B F4 N3 -","- C148 H96 B4 F16 N12 -","4","1","","Peter Hammershøj; Thomas Just Sørensen; Bao-Hang Han; Bo W. Laursen","Base-Assisted One-Pot Synthesis of N,N',N""-Triaryltriazatriangulenium Dyes: Enhanced Fluorescence Efficiency by Steric Constraints","Journal of Organic Chemistry","2012","77","","5606","5612","10.1021/jo3007732","","","0.71073","MoKα","","0.0867","0.0523","","","0.1463","0.1704","","","","","","1.18","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027273","14.517","0.0017","10.943","0.0018","19.669","0.0018","90","0.007","101.562","0.016","90","0.011","3061.2","0.7","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-bromophenyl-TATA","4,8,12-Tris(4-bromophenyl)-4,8,12-triazatriangulenium Tetrafluoroborate","","- C37 H21 B Br3 F4 N3 -","- C37 H21 B Br3 F4 N3 -","- C148 H84 B4 Br12 F16 N12 -","4","1","","Peter Hammershøj; Thomas Just Sørensen; Bao-Hang Han; Bo W. Laursen","Base-Assisted One-Pot Synthesis of N,N',N""-Triaryltriazatriangulenium Dyes: Enhanced Fluorescence Efficiency by Steric Constraints","Journal of Organic Chemistry","2012","77","","5606","5612","10.1021/jo3007732","","","0.71073","MoKα","","0.0956","0.0617","","","0.1852","0.2135","","","","","","1.438","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027274","13.321","0.003","7.8902","0.0016","11.259","0.002","90","","92.32","0.03","90","","1182.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O S2 -","- C11 H9 N3 O S2 -","- C44 H36 N12 O4 S8 -","4","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.1086","0.0607","","","0.1546","0.1836","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027275","21.383","0.004","9.84","0.002","7.4392","0.0015","90","","90","","90","","1565.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N3 O S -","- C7 H7 N3 O S -","- C56 H56 N24 O8 S8 -","8","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.0717","0.0543","","","0.1566","0.1708","","","","","","1.078","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027276","16.8378","0.0018","5.0024","0.0005","13.1719","0.0013","90","","98.84","0.003","90","","1096.28","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O S -","- C12 H9 N3 O S -","- C48 H36 N12 O4 S4 -","4","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.0657","0.0431","","","0.1093","0.1205","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027277","8.06","0.004","8.06","0.004","45.41","0.03","90","","90","","90","","2950","3","296","2","296","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0904","0.0576","","","0.1329","0.1517","","","","","","1.011","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027278","7.646","0.012","8.221","0.013","24.74","0.04","90","","90","","90","","1555","4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0899","0.0554","","","0.1219","0.1416","","","","","","1.013","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027279","7.876","0.002","11.589","0.003","16.392","0.004","90","","103.375","0.002","90","","1455.6","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","2","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0676","0.0445","","","0.0887","0.0999","","","","","","0.963","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027280","12.4399","0.0002","14.7988","0.0004","22.9356","0.0005","90","","119.712","0.002","90","","3667.22","0.16","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 B Br P -","- C18 H29 B Br P -","- C144 H232 B8 Br8 P8 -","8","2","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0908","0.0448","","","0.0854","0.0984","","","","","","0.975","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027281","9.4694","0.0002","17.9407","0.0004","13.206","0.0003","90","","125.9","0.02","90","","1817.4","0.5","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 B Br P -","- C20 H21 B Br P -","- C80 H84 B4 Br4 P4 -","4","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71069","MoKα","","0.0394","0.0318","","","0.0788","0.0831","","","","","","1.052","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027282","7.6961","0.0002","14.5022","0.0005","9.1795","0.0003","90","","108.628","0.001","90","","970.85","0.05","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 B Br Fe P -","- C22 H21 B Br Fe P -","- C44 H42 B2 Br2 Fe2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0338","0.0293","","","0.0629","0.0647","","","","","","1.058","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027283","7.8827","0.0002","14.6045","0.0003","9.2236","0.0003","90","","108.951","0.001","90","","1004.29","0.05","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 B Fe I P -","- C22 H21 B Fe I P -","- C44 H42 B2 Fe2 I2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0334","0.0314","","","0.0775","0.0788","","","","","","1.042","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027284","7.7546","0.0003","7.9132","0.0003","13.8306","0.0005","90","","94.355","0.002","90","","846.25","0.06","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br O P -","- C19 H16 Br O P -","- C38 H32 Br2 O2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71069","MoKα","","0.0386","0.0317","","","0.0675","0.0707","","","","","","1.026","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027285","7.4323","0.0008","18.203","0.004","10.8672","0.0013","90","","90.004","0.01","90","","1470.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Liyao Zheng; Jia Ju; Yunhui Bin; Ruimao Hua","Synthesis of Isoquinolines and Heterocycle-Fused Pyridines via Three-Component Cascade Reaction of Aryl Ketones, Hydroxylamine, and Alkynes","Journal of Organic Chemistry","2012","77","","5794","5800","10.1021/jo3010414","","","0.71073","MoKα","","0.1134","0.0616","","","0.1095","0.1379","","","","","","1.046","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027286","11.4395","0.0016","10.344","0.0014","29.606","0.003","90","","90","","90","","3503.3","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C208 H152 N8 O16 -","8","1","","Heinz Langhals; Christian Dietl; Andreas Zimpel; Peter Mayer","Noncovalent Control of Absorption and Fluorescence Spectra","Journal of Organic Chemistry","2012","77","","5965","5970","10.1021/jo300540h","","","0.71073","MoKα","","0.1209","0.0605","","","0.1142","0.137","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027287","13.6243","0.0001","10.1431","0.0001","16.1047","0.0001","90","","90.032","0.001","90","","2225.55","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","2","","Arben I. Haziri; Christian J. Leumann","Synthesis and Pairing Properties of Oligodeoxynucleotides Containing Bicyclo-RNA and Bicyclo-ANA Modifications","Journal of Organic Chemistry","2012","77","","5861","5869","10.1021/jo300554w","","","0.71073","MoKα","","0.035","0.0314","","","0.089","0.0906","","","","","","1.07","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027288","8.1897","0.0001","10.6876","0.0001","11.0632","0.0002","72.737","0.001","88.705","0.001","79.657","0.001","909.21","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Cl4 O3 -","- C15 H10 Cl4 O3 -","- C30 H20 Cl8 O6 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0612","0.0393","","","0.081","0.0856","","","","","","0.886","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027289","15.0317","0.0015","14.8962","0.0015","6.9832","0.0007","90","","90","","90","","1563.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 Cl4 O3 -","- C15 H10 Cl4 O3 -","- C60 H40 Cl16 O12 -","4","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.096","0.0485","","","0.1059","0.1214","","","","","","0.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027290","11.7205","0.0007","10.086","0.0006","13.4468","0.0008","90","","110.531","0.003","90","","1488.62","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl4 O2 -","- C15 H10 Cl4 O2 -","- C60 H40 Cl16 O8 -","4","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0831","0.0779","","","0.1723","0.1743","","","","","","1.238","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027291","8.10471","0.00007","10.58276","0.00009","11.01017","0.0001","70.911","0.0003","87.9066","0.0004","82.4967","0.0004","884.756","0.014","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H7 Cl5 O2 -","- C14 H7 Cl5 O2 -","- C28 H14 Cl10 O4 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0277","0.0239","","","0.0631","0.0641","","","","","","1.074","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027292","11.827","0.002","25.952","0.004","10.3778","0.0018","90","","118.359","0.003","90","","2803","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cl4 O2 -","- C14 H8 Cl4 O2 -","- C112 H64 Cl32 O16 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0599","0.0434","","","0.1038","0.1134","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027293","7.1671","0.0018","10.654","0.003","12.606","0.003","85.824","0.006","79.449","0.005","89.246","0.005","943.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl4 O4 -","- C15 H12 Cl4 O4 -","- C30 H24 Cl8 O8 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0476","0.0433","","","0.1135","0.1155","","","","","","1.103","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027294","11.804","0.016","37.23","0.03","7.129","0.006","90","","90","","90","","3133","6","294","2","294","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H9 Cl5 O3 -","- C14 H9 Cl5 O3 -","- C112 H72 Cl40 O24 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0886","0.0652","","","0.1444","0.1651","","","","","","0.922","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027295","11.6597","0.0014","34.37","0.004","7.0803","0.0009","90","","90","","90","","2837.4","0.6","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H10 Cl4 O3 -","- C14 H10 Cl4 O3 -","- C112 H80 Cl32 O24 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0686","0.0631","","","0.1431","0.147","","","","","","1.147","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027296","9.3264","0.0015","10.1503","0.0019","12.7968","0.0019","82.257","0.014","74.207","0.014","66.55","0.016","1068.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F3 N3 O4 S -","- C22 H22 F3 N3 O4 S -","- C44 H44 F6 N6 O8 S2 -","2","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.119","0.0487","","","0.1067","0.1127","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027297","8.4617","0.001","13.2934","0.0016","15.59","0.002","90","","94.826","0.011","90","","1747.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O -","- C21.988 H23 N3 O -","- C87.952 H92 N12 O4 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1074","0.0468","","","0.1111","0.121","","","","","","1.01","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027298","17.543","0.002","6.2491","0.0006","17.155","0.002","90","","96.562","0.01","90","","1868.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1518","0.0453","","","0.082","0.0887","","","","","","1.002","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027299","9.2825","0.001","14.3343","0.0007","13.1795","0.0014","90","","107.327","0.01","90","","1674.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 O2 S -","- C16 H23 N3 O2 S -","- C64 H92 N12 O8 S4 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1028","0.0396","","","0.0926","0.0974","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027300","8.4511","0.0017","9.701","0.0019","9.863","0.002","65.48","0.03","86.54","0.03","75.41","0.03","711.1","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Teresa Varea; Ana Alcalde; Carolina López de Dicastillo; Carmen Ramírez de Arellano; Fernando P. Cossío; Gregorio Asensio","Selective ""One-Pot"" Synthesis of Functionalized Cyclopentenones","Journal of Organic Chemistry","2012","77","","6327","6331","10.1021/jo300806y","","","0.71073","MoKα","","0.0572","0.0394","","","0.0928","0.1009","","","","","","1.033","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027301","6.1261","0.0008","28.654","0.004","10.7204","0.0016","90","","103.418","0.007","90","","1830.5","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C80 H76 N12 O12 S4 -","4","1","","Muthupandi Nagaraj; Muthusamy Boominathan; Devanathan Perumal; Shanmugam Muthusubramanian; Nattamai Bhuvanesh","Copper(I)-Catalyzed Cascade Sulfonimidate to Sulfonamide Rearrangement: Synthesis of Imidazo[1,2-a][1,4]diazepin-7(6H)-one","Journal of Organic Chemistry","2012","77","","6319","6326","10.1021/jo300855f","","","1.54178","CuKα","","0.0731","0.0677","","","0.1553","0.1595","","","","","","1.095","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027302","10.3272","0.0012","14.0891","0.0017","11.5515","0.0015","90","","115.18","0.007","90","","1521","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","imidazole derivative","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Muthupandi Nagaraj; Muthusamy Boominathan; Devanathan Perumal; Shanmugam Muthusubramanian; Nattamai Bhuvanesh","Copper(I)-Catalyzed Cascade Sulfonimidate to Sulfonamide Rearrangement: Synthesis of Imidazo[1,2-a][1,4]diazepin-7(6H)-one","Journal of Organic Chemistry","2012","77","","6319","6326","10.1021/jo300855f","","","1.54178","CuKα","","0.0776","0.0697","","","0.1587","0.1645","","","","","","1.075","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027303","5.8205","0.0005","12.3343","0.0011","27.224","0.003","90","","90","","90","","1954.5","0.3","298","2","571","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl F N O -","- C19 H23 Cl F N O -","- C76 H92 Cl4 F4 N4 O4 -","4","1","","Bruno Anxionnat; Benoit Robert; Pascal George; Gino Ricci; Marc-Antoine Perrin; Domingo Gomez Pardo; Janine Cossy","Ring Expansion of Cyclic β-Amino Alcohols Induced by Diethylaminosulfur Trifluoride: Synthesis of Cyclic Amines with a Tertiary Fluorine at C3","Journal of Organic Chemistry","2012","77","","6087","6099","10.1021/jo300887u","","","0.71073","MoKα","","0.0598","0.0504","","","0.1599","0.1662","","","","","","1.137","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027304","4.693","0.002","8.435","0.004","8.485","0.004","103.867","0.008","102.721","0.017","99.713","0.007","309.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0628","0.042","","","0.1068","0.1191","","","","","","1.036","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027305","14.229","0.006","9.395","0.004","19.2","0.009","90","","108.457","0.011","90","","2434.7","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C112 H32 F48 N32 -","8","1","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0425","0.0373","","","0.1069","0.1128","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027306","14.24403","0.00016","9.39943","0.00009","19.2102","0.0002","90","","108.48","0.0012","90","","2439.35","0.05","99.94","0.19","99.94","0.19","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C112 H32 F48 N32 -","8","1","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.7107","MoKα","","0.0403","0.0346","","","0.0947","0.0992","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027307","4.881","0.002","7.116","0.004","10.683","0.005","86.323","0.012","83.458","0.009","88.653","0.014","367.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H4 F10 N4 -","- C16 H4 F10 N4 -","- C16 H4 F10 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0407","0.0355","","","0.1016","0.1079","","","","","","1.072","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027308","6.776","0.003","5.063","0.002","27.434","0.013","90","","96.026","0.008","90","","936","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H4 F14 N4 -","- C18 H4 F14 N4 -","- C36 H8 F28 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.1345","0.1002","","","0.2536","0.2771","","","","","","1.146","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027309","5.469","0.004","8.662","0.006","19.04","0.014","90","","91.63","0.019","90","","901.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H4 F14 N4 -","- C18 H4 F14 N4 -","- C36 H8 F28 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0889","0.0692","","","0.1587","0.1679","","","","","","1.105","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027310","21.2334","0.0007","12.6047","0.0003","8.5605","0.0002","90","","92.62","0.003","90","","2288.74","0.11","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H10 F10 N4 O -","- C24 H4 F10 N4 -","- C96 H16 F40 N16 -","4","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","1.5418","CuKα","","0.0324","0.0295","","","0.0806","0.0829","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027311","9.554","0.005","10.669","0.006","10.996","0.005","73.939","0.014","81.9","0.009","84.005","0.01","1063.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H2 Br2 F6 N4 -","- C14 H2 Br2 F6 N4 -","- C42 H6 Br6 F18 N12 -","3","1.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0309","0.0254","","","0.0635","0.0657","","","","","","1.105","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027312","4.959","0.002","8.559","0.004","10.259","0.005","90.869","0.011","94.021","0.007","102.739","0.015","423.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H2 Br2 F10 N4 -","- C16 H2 Br2 F10 N4 -","- C16 H2 Br2 F10 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0335","0.0281","","","0.0683","0.0706","","","","","","1.062","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027313","10.572","0.002","12.965","0.004","12.987","0.003","90","","107.308","0.006","90","","1699.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H16 Br4 F10 N4 -","- C38 H16 Br4 F10 N4 -","- C76 H32 Br8 F20 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0816","0.0473","","","0.1107","0.1181","","","","","","1.19","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027314","5.101","0.003","7.908","0.004","9.882","0.005","80.425","0.011","82.339","0.007","76.7","0.013","380.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 Cl4 F6 N4 -","- C14 Cl4 F6 N4 -","- C14 Cl4 F6 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0577","0.0379","","","0.0828","0.0923","","","","","","1.024","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027315","10.9456","0.0002","12.8552","0.0002","21.7566","0.0004","90","","100.84","0.001","90","","3006.7","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 B P -","- C18 H16 B P -","- C144 H128 B8 P8 -","8","2","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0466","0.0407","","","0.1176","0.1247","","","","","","1.136","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027316","12.6583","0.0003","12.9947","0.0003","15.0536","0.0004","73.549","0.001","66.123","0.001","81.019","0.001","2169.14","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 B O2 P -","- C26 H24 B O2 P -","- C104 H96 B4 O8 P4 -","4","2","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0702","0.0567","","","0.155","0.1747","","","","","","1.059","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027317","10.9425","0.0002","14.361","0.0004","26.7154","0.0007","90","","90","","90","","4198.2","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B O P -","- C26 H24 B O P -","- C208 H192 B8 O8 P8 -","8","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0782","0.0559","","","0.1388","0.1548","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027318","11.1694","0.0003","14.4645","0.0006","14.2419","0.0005","90","","92.162","0.002","90","","2299.28","0.14","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H26 B O2 P -","- C27 H26 B O2 P -","- C108 H104 B4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0426","0.0414","","","0.1157","0.1174","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027319","9.6796","0.0003","15.0266","0.0007","15.7565","0.0006","90","","95.443","0.002","90","","2281.47","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 B O2 P -","- C25 H30 B O2 P -","- C100 H120 B4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0675","0.0488","","","0.1247","0.1407","","","","","","1.074","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027320","8.6791","0.0002","13.0784","0.0002","28.9528","0.0007","90","","94.256","0.001","90","","3277.33","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 B Br O2 P -","- C35 H47 B Br O2 P -","- C140 H188 B4 Br4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0447","0.0357","","","0.1018","0.1104","","","","","","1.067","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027321","9.555","0.0004","9.2222","0.0004","13.7263","0.0005","90","","107.389","0.001","90","","1154.26","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 B O2 P -","- C27 H26 B O2 P -","- C54 H52 B2 O4 P2 -","2","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0323","0.0291","","","0.078","0.0866","","","","","","1.127","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027322","11.283","0.002","15.681","0.003","22.336","0.005","90","","90","","90","","3951.9","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B N O2 -","- C51 H48 B N O2 -","- C204 H192 B4 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.0895","0.0535","","","0.1053","0.12","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027323","11.198","0.003","12.171","0.003","19.804","0.005","90","","90","","90","","2699.1","1.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O2 -","- C35 H33 N O2 -","- C140 H132 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.0669","0.0526","","","0.1188","0.1277","","","","","","0.978","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027324","11.458","0.002","17.247","0.003","27.663","0.006","90","","90","","90","","5466.7","1.8","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H58 B Cl6 N O2 -","- C62 H58 B Cl6 N O2 -","- C248 H232 B4 Cl24 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.3058","0.1056","","","0.2036","0.2796","","","","","","0.882","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027325","6.8825","0.0006","10.5619","0.0008","13.8053","0.0011","90","","90","","90","","1003.54","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Day-Shin Hsu; Shih-Chung Lin","Total Syntheses of Cladoacetals A and B: Confirmation of Absolute Configurations","Journal of Organic Chemistry","2012","77","","6139","6146","10.1021/jo300923e","","","0.71073","MoKα","","0.0543","0.048","","","0.0941","0.0967","","","","","","1.102","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027326","12.3286","0.0003","10.3522","0.0002","10.205","0.0002","90","","96.066","0.002","90","","1295.15","0.05","250.01","0.11","250.01","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Dennis U. Nielsen; Karoline Neumann; Rolf H. Taaning; Anders T. Lindhardt; Amalie Modvig; Troels Skrydstrup","Palladium-Catalyzed Double Carbonylation Using Near Stoichiometric Carbon Monoxide: Expedient Access to Substituted 13C2-Labeled Phenethylamines","Journal of Organic Chemistry","2012","77","","6155","6165","10.1021/jo3009337","","","0.7107","MoKα","","0.0552","0.0414","","","0.1017","0.1108","","","","","","1.038","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027327","9.2335","0.0018","10.93","0.002","14.245","0.003","95.14","0.03","90.06","0.03","112.38","0.03","1323","0.5","160","2","160","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","2","","Dennis U. Nielsen; Karoline Neumann; Rolf H. Taaning; Anders T. Lindhardt; Amalie Modvig; Troels Skrydstrup","Palladium-Catalyzed Double Carbonylation Using Near Stoichiometric Carbon Monoxide: Expedient Access to Substituted 13C2-Labeled Phenethylamines","Journal of Organic Chemistry","2012","77","","6155","6165","10.1021/jo3009337","","x-ray","0.71073","MoKα","","0.0827","0.0512","","","0.1308","0.1488","","","","","","1.032","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027328","10.855","0.002","6.9558","0.0014","20.812","0.004","90","","93.333","0.004","90","","1568.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Sritama Bose; Manju Ghosh; Subrata Ghosh","Domino Ring-Opening Metathesis-Ring-Closing Metathesis of Bicyclo[2.2.2]octene Derivatives: Scope and Limitations","Journal of Organic Chemistry","2012","77","","6345","6350","10.1021/jo300945b","","","0.71073","MoKα","","0.0549","0.0471","","","0.1222","0.1337","","","","","","0.904","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027329","9.2644","0.0017","9.7808","0.0018","20.85","0.004","88.078","0.002","86.288","0.002","88.819","0.002","1883.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H40 N4 O3 -","- C47 H40 N4 O3 -","- C94 H80 N8 O6 -","2","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","0.71073","MoKα","","0.1201","0.0652","","","0.1939","0.2545","","","","","","0.822","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027330","10.6322","0.0011","12.8331","0.0013","26.909","0.003","90","","90.658","0.005","90","","3671.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 N4 O -","- C49 H42 N4 O -","- C196 H168 N16 O4 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","1.54178","CuKα","","0.0429","0.0408","","","0.1127","0.1153","","","","","","0.823","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027331","13.2442","0.0013","18.707","0.0019","17.9647","0.0018","90","","91.793","0.001","90","","4448.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N5 O2 Zn -","- C52 H41 N5 O2 Zn -","- C208 H164 N20 O8 Zn4 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","0.71073","MoKα","","0.1079","0.0609","","","0.1463","0.1679","","","","","","0.912","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027332","12.6533","0.0008","15.8418","0.0002","8.8587","0.0001","90","","105.971","0.008","90","","1707.19","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","James C. Anderson; Lisa R. Horsfall; Andreas S. Kalogirou; Matthew R. Mills; Gregory J. Stepney; Graham J. Tizzard","Stereoselective Synthesis of Densely Functionalized Pyrrolidin-2-ones by a Conjugate Addition/Nitro-Mannich/Lactamization Reaction","Journal of Organic Chemistry","2012","77","","6186","6198","10.1021/jo301000r","","","1.54187","CuKα","","0.09","0.0739","","","0.2028","0.2354","","","","","","1.062","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027333","8.3399","0.0001","10.1614","0.0001","22.2832","0.0015","90","","90","","90","","1888.39","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O3 S -","- C19 H19 F3 N2 O3 S -","- C76 H76 F12 N8 O12 S4 -","4","1","","James C. Anderson; Lisa R. Horsfall; Andreas S. Kalogirou; Matthew R. Mills; Gregory J. Stepney; Graham J. Tizzard","Stereoselective Synthesis of Densely Functionalized Pyrrolidin-2-ones by a Conjugate Addition/Nitro-Mannich/Lactamization Reaction","Journal of Organic Chemistry","2012","77","","6186","6198","10.1021/jo301000r","","","1.54187","CuKα","","0.0253","0.0248","","","0.0635","0.0637","","","","","","1.058","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027334","6.34","0.001","8.649","0.0012","21.069","0.002","90","","90","","90","","1155.3","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","Aidang Lu; Keling Hu; Youming Wang; Haibin Song; Zhenghong Zhou; Jianxin Fang; Chuchi Tang","Enantioselective Synthesis of trans-Dihydrobenzofurans via Primary Amine-Thiourea Organocatalyzed Intramolecular Michael Addition","Journal of Organic Chemistry","2012","77","","6208","6214","10.1021/jo301006e","","","1.54187","CuKα","","0.0703","0.0676","","","0.1428","0.1508","","","","","","1.122","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027335","8.8631","0.0005","19.8424","0.0014","25.717","0.002","90","","90","","90","","4522.7","0.5","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-(1-pyrene)-1,3-diphenylfulvene","6-(1-pyrene)-1,3-diphenylfulvene","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0499","0.0375","","","0.0844","0.0924","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027336","17.449","0.006","5.698","0.002","16.787","0.006","90","","99.761","0.004","90","","1644.9","1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3,6-triphenylfulvene","1,3,6-triphenylfulvene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0465","0.0414","","","0.1047","0.1085","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027337","8.177","0.0018","8.7726","0.0018","14.965","0.004","104.847","0.003","90.349","0.003","109.606","0.002","972.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","6-(3,5-dimethoxyphenyl)-1,3-diphenylfulvene","6-(3,5-dimethoxyphenyl)-1,3-diphenylfulvene","","- C26 H22 O2 -","- C26 H22 O2 -","- C52 H44 O4 -","2","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0454","0.0425","","","0.1155","0.1187","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027338","21.841","0.003","6.1472","0.0008","26.751","0.003","90","","93.188","0.002","90","","3586.1","0.8","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","6-cyclohexyl-1,3-diphenylfulvene","6-cyclohexyl-1,3-diphenylfulvene","","- C24 H24 -","- C24 H24 -","- C192 H192 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0611","0.0467","","","0.1124","0.1216","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027339","31.085","0.005","10.1123","0.0018","10.3012","0.0018","90","","90.279","0.002","90","","3238","1","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","6-(tert-butyl)-1,3-diphenylfulvene","6-(tert-butyl)-1,3-diphenylfulvene","","- C22 H22 -","- C22 H22 -","- C176 H176 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0539","0.0435","","","0.1107","0.1177","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027340","17.699","0.002","17.699","0.002","5.8563","0.0004","90","","90","","90","","1834.5","0.3","200","0.2","200","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O3 S -","- C17 H27 N O3 S -","- C68 H108 N4 O12 S4 -","4","1","","Leleti Rajender Reddy; Kapa Prasad; Mahavir Prashad","A Protocol for an Asymmetric Synthesis of γ-Amino Acids","Journal of Organic Chemistry","2012","77","","6296","6301","10.1021/jo301177f","","","1.54184","CU-Kα","","0.068","0.063","","","0.173","0.182","","","","","","1.112","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4027341","8.2998","0.0007","12.7159","0.0011","24.849","0.002","90","","90","","90","","2622.5","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 I N4 -","- C14 H11 I N4 -","- C112 H88 I8 N32 -","8","1","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.0219","0.0177","","","0.041","0.0435","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027342","23.9334","0.0009","8.3486","0.0003","20.4206","0.0009","90","","90","","90","","4080.2","0.3","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.0496","0.0379","","","0.0671","0.0707","","","","","","1.158","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027343","9.5161","0.0009","15.6549","0.0015","15.886","0.0015","83.461","0.001","74.229","0.001","78.522","0.001","2227.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 I3 N -","- C16 H36 I3 N -","- C64 H144 I12 N4 -","4","2","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.031","0.0281","","","0.0713","0.0728","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027344","6.3491","0.0004","10.393","0.0006","12.2632","0.0007","94.175","0.001","100.446","0.001","100.344","0.001","778.2","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H28 N4 O2 -","- C42.996 H28 N4 O1.992 -","- C42.996 H28 N4 O1.992 -","1","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0581","0.0565","","","0.1378","0.1389","","","","","","1.157","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027345","14.863","0.009","17.01","0.011","14.667","0.009","90","","93.844","0.01","90","","3700","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H31 N5 O2 Zn -","- C48 H31 N5 O2 Zn -","- C192 H124 N20 O8 Zn4 -","4","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.1308","0.0918","","","0.1962","0.2128","","","","","","1.169","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027346","6.3538","0.0016","10.375","0.003","12.253","0.003","94.819","0.004","99.495","0.004","101.047","0.004","776.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N4 O -","- C42.998 H29.996 N4 O0.998 -","- C42.998 H29.996 N4 O0.998 -","1","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0593","0.0449","","","0.1109","0.1206","","","","","","1.066","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027347","13.46","0.003","13.46","0.003","9.7678","0.0018","90","","90","","90","","1769.6","0.6","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C44 H33 N4 O2.5 -","- C44 H33 N4 O2.5 -","- C88 H66 N8 O5 -","2","0.125","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0646","0.0531","","","0.153","0.1651","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027348","10.4629","0.0019","13.445","0.002","20.798","0.004","91.532","0.003","91.461","0.003","108.916","0.003","2764.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 N5 O2 Zn -","- C36 H23 N5 O2 Zn -","- C144 H92 N20 O8 Zn4 -","4","2","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0501","0.0404","","","0.1096","0.1137","","","","","","1.071","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027349","10.5042","0.0002","6.092","0.0001","24.0074","0.0004","90","","95.815","0.001","90","","1528.37","0.05","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","","Dongxu Shu; Xiaoxun Li; Min Zhang; Patrick J. Robichaux; Ilia A. Guzei; Weiping Tang","Rhodium-Catalyzed Carbonylation of Cyclopropyl Substituted Propargyl Esters: A Tandem 1,3-Acyloxy Migration [5 + 1] Cycloaddition","Journal of Organic Chemistry","2012","77","","6463","6472","10.1021/jo300973r","","","1.54178","CuKα","","0.0388","0.0361","","","0.1272","0.131","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027350","10.1195","0.0011","12.7149","0.0013","13.618","0.0014","90","","92.809","0.002","90","","1750.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O -","- C18 H22 Cl N3 O -","- C72 H88 Cl4 N12 O4 -","4","1","","María García-Valverde; Ignacio Alfonso; David Quiñonero; Roberto Quesada","Conformational Analysis of a Model Synthetic Prodiginine","Journal of Organic Chemistry","2012","77","","6538","6544","10.1021/jo301008c","","","0.71073","MoKα","","0.0639","0.0411","","","0.1042","0.1113","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027351","9.5644","0.0009","10.5005","0.001","19.778","0.0019","83.838","0.002","86.955","0.002","89.422","0.002","1972","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N3 O4 S -","- C19 H25 N3 O4 S -","- C76 H100 N12 O16 S4 -","4","2","","María García-Valverde; Ignacio Alfonso; David Quiñonero; Roberto Quesada","Conformational Analysis of a Model Synthetic Prodiginine","Journal of Organic Chemistry","2012","77","","6538","6544","10.1021/jo301008c","","","0.71073","MoKα","","0.1151","0.0644","","","0.1461","0.1728","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027352","21.2044","0.0004","10.4376","0.0002","21.7778","0.0005","90","","112.687","0.001","90","","4446.99","0.16","113","","113","","","","","","","","Synthetic compound","6","P 1 21/n 1","-P 2yn","14","[5,10,15-tris(4-methoxycarbonylphenyl)-5-oxaporphyrinato]zinc(II)","[5,10,15-tris(4-methoxycarbonylphenyl)-5-oxaporphyrinato] (trifluoroacetato)zinc(II)","","- C50 H29 F3 N4 O9 Zn -","- C50 H29 F3 N4 O9 Zn -","- C200 H116 F12 N16 O36 Zn4 -","4","1","","Kazuhisa Kakeya; Aya Nakagawa; Tadashi Mizutani; Yutaka Hitomi; Masahito Kodera","Synthesis, Reactivity, and Spectroscopic Properties of meso-Triaryl-5-oxaporphyrins","Journal of Organic Chemistry","2012","77","","6510","6519","10.1021/jo3010342","","x-ray","1.54187","CuKα","","0.1405","0.0852","","","0.2359","0.2791","","","","","","0.986","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027353","12.6159","0.0004","8.2338","0.0002","14.704","0.0004","90","","108.352","0.001","90","","1449.72","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Manoj R. Zanwar; Mustafa J. Raihan; Sachin D. Gawande; Veerababurao Kavala; Donala Janreddy; Chun-Wei Kuo; Ram Ambre; Ching-Fa Yao","Alcohol Mediated Synthesis of 4-Oxo-2-aryl-4H-chromene-3-carboxylate Derivatives from 4-Hydroxycoumarins","Journal of Organic Chemistry","2012","77","","6495","6504","10.1021/jo301044y","","","0.71073","MoKα","","0.0422","0.0363","","","0.1038","0.118","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027354","10.5667","0.0008","17.1216","0.0012","13.9635","0.001","90","","92.699","0.001","90","","2523.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cr Fe O6 S -","- C27 H20 Cr Fe O6 S -","- C108 H80 Cr4 Fe4 O24 S4 -","4","1","","Alexandra R. Rivero; Israel Fernández; Miguel A. Sierra","Regioselective and Stepwise [8 + 2] Cycloaddition Reaction between Alkynyl-Fischer Carbene Complexes and Tropothione","Journal of Organic Chemistry","2012","77","","6648","6652","10.1021/jo3011304","","","0.71073","MoKα","","0.0924","0.043","","","0.0745","0.0835","","","","","","0.989","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027355","5.651","0.002","11.88","0.007","15.389","0.008","109.06","0.03","100.31","0.04","90.81","0.03","957.8","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N5 O5 -","- C20 H17 N5 O5 -","- C40 H34 N10 O10 -","2","1","","Dane J. Clausen; Paul E. Floreancig","Aromatic Cations from Oxidative Carbon-Hydrogen Bond Cleavage in Bimolecular Carbon-Carbon Bond Forming Reactions","Journal of Organic Chemistry","2012","77","","6574","6582","10.1021/jo301185h","","","1.54178","CuKα","","0.2896","0.1007","","","0.1999","0.2759","","","","","","0.983","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027356","7.4379","0.0009","12.254","0.0015","9.8924","0.0013","90","","94.972","0.003","90","","898.24","0.19","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Br2 Fe N -","- C19 H19 Br2 Fe N -","- C38 H38 Br4 Fe2 N2 -","2","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0565","","","","0.1011","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027357","7.8693","0.0009","11.3517","0.0012","17.9846","0.0017","90","","90","","90","","1606.6","0.3","183","","183","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 Fe -","- C18 H16 Br2 Fe -","- C72 H64 Br8 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0493","","","","0.1188","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027358","10.0011","0.0005","15.0572","0.0007","22.5214","0.0012","90","","90","","90","","3391.5","0.3","183","","183","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Fe P2 -","- C42 H36 Fe P2 -","- C168 H144 Fe4 P8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0463","","","","0.0748","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027359","7.4365","0.001","8.3916","0.0008","24.421","0.003","90","","90","","90","","1524","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br Fe -","- C18 H17 Br Fe -","- C72 H68 Br4 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0564","","","","0.1692","","","","","","1.064","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027360","9.3072","0.0011","20.213","0.003","20.551","0.003","90","","90","","90","","3866.2","0.9","203","","203","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 Fe2 Se2 -","- C42 H34 Fe2 Se2 -","- C168 H136 Fe8 Se8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.1844","","","","0.2557","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027361","7.5254","0.0004","8.5763","0.0005","21.9048","0.001","90","","90","","90","","1413.74","0.13","183","","183","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Fe -","- C18 H18 Fe -","- C72 H72 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0277","","","","0.049","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027362","7.9189","0.0016","11.749","0.003","18.368","0.004","90","","90","","90","","1708.9","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Fe I2 -","- C18 H16 Fe I2 -","- C72 H64 Fe4 I8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0298","","","","0.0675","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027363","23.305","0.018","7.753","0.011","10.364","0.008","90","","90","","90","","1873","3","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Fe I2 N -","- C19 H19 Fe I2 N -","- C76 H76 Fe4 I8 N4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.7107","MoKα","","","0.0465","","","","0.0472","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027364","29.1512","0.0011","10.2639","0.0007","8.9612","0.0004","90","","96.206","0.004","90","","2665.5","0.2","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H22 Br2 N2 O5 -","- C29 H22 Br2 N2 O5 -","- C116 H88 Br8 N8 O20 -","4","1","","Wenguo Yang; Davin Tan; Lixin Li; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Choon-Hong Tan; Zhiyong Jiang","Direct Asymmetric Allylic Alkenylation of N-Itaconimides with Morita-Baylis-Hillman Carbonates","Journal of Organic Chemistry","2012","77","","6600","6607","10.1021/jo3012539","","","1.5418","CuKα","","0.0375","0.0358","","","0.0944","0.0967","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027365","16.4227","0.0016","18.478","0.0019","25.266","0.003","90","","103.557","0.002","90","","7453.6","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H92 Cl4 N6 O3 Pd2 -","- C62 H92 Cl4 N6 O3 Pd2 -","- C248 H368 Cl16 N24 O12 Pd8 -","4","1","","Zhan-Yong Wang; Gao-Qi Chen; Li-Xiong Shao","N-Heterocyclic Carbene-Palladium(II)-1-Methylimidazole Complex-Catalyzed Suzuki-Miyaura Coupling of Aryl Sulfonates with Arylboronic Acids","Journal of Organic Chemistry","2012","77","","6608","6614","10.1021/jo301270t","","","0.71073","MoKα","","0.0704","0.0581","","","0.2081","0.2229","","","","","","1.065","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027366","13.1264","0.0016","20.83","0.003","10.1064","0.0012","90","","109.576","0.002","90","","2603.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in manuscript 7b","","","- C14.5 H12 Cl N O3 -","- C14.5 H12 Cl N O3 -","- C116 H96 Cl8 N8 O24 -","8","2","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0999","0.076","","","0.187","0.2035","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027367","14.8352","0.001","9.2601","0.0007","8.4422","0.0005","90","","105.966","0.002","90","","1115.01","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","in manuscript 8a","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0789","0.0508","","","0.1272","0.1455","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027368","16.2661","0.0003","10.6115","0.0001","7.2249","0.0001","90","","93.381","0.001","90","","1244.9","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","in manuscript 8e","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C52 H60 N4 O20 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0545","0.0429","","","0.1096","0.1185","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027369","7.459","0.004","8.165","0.004","10.383","0.005","91.258","0.011","101.305","0.011","96.017","0.011","616.1","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.1154","0.0763","","","0.151","0.1659","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027370","7.618","0.0018","10.819","0.003","15.469","0.004","90","","92.552","0.005","90","","1273.7","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","in manuscript 8b","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0824","0.0572","","","0.1208","0.1312","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027371","11.553","0.0002","14.4441","0.0003","18.2458","0.0003","69.634","0.001","78.432","0.001","69.941","0.001","2669.83","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in manuscript 7m","","","- C12 H7 F6 N O3 -","- C12 H7 F6 N O3 -","- C96 H56 F48 N8 O24 -","8","4","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0836","0.0501","","","0.1171","0.1356","","","","","","1.018","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027372","13.6482","0.0007","10.2749","0.0005","13.7082","0.0007","90","","103.145","0.001","90","","1871.98","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0655","0.0482","","","0.1264","0.1391","","","","","","1.035","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027373","12.8046","0.0007","10.1185","0.0005","15.2099","0.0008","90","","105.492","0.001","90","","1899.05","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0507","0.0401","","","0.109","0.1186","","","","","","1.027","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027374","27.9292","0.0015","8.1522","0.0004","19.4546","0.001","90","","92.986","0.001","90","","4423.5","0.4","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C224 H200 N8 O16 S8 -","8","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0471","0.0402","","","0.105","0.1118","","","","","","1.042","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027375","9.2838","0.0004","15.2658","0.0007","15.8794","0.0007","89.642","0.002","84.485","0.002","87.787","0.002","2238.41","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H70 Cl3 N5 O11 -","- C36 H68 Cl3 N5 O11 -","- C72 H136 Cl6 N10 O22 -","2","1","","Pedro Mateus; Rita Delgado; Patrick Groves; Sara R. R. Campos; António M. Baptista; Paula Brandão; Vítor Félix","Water Encapsulation in a Polyoxapolyaza Macrobicyclic Compound","Journal of Organic Chemistry","2012","77","","6816","6824","10.1021/jo300799s","","","0.71073","MoKα","","0.067","0.048","","","0.1407","0.172","","","","","","1.07","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027376","6.1718","0.0014","13.887","0.003","15.127","0.003","90","","90","","90","","1296.5","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Jia-Dai Zhai; Dongmei Li; Jing Long; Hao-Liang Zhang; Jian-Ping Lin; Chuan-Jiang Qiu; Quan Zhang; Yue Chen","Biomimetic Semisynthesis of Arglabin from Parthenolide","Journal of Organic Chemistry","2012","77","","7103","7107","10.1021/jo300888s","","","0.71073","MoKα","","0.0397","0.0316","","","0.0611","0.0629","","","","","","1.036","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027377","13.8975","0.0005","15.3683","0.0006","21.8526","0.0008","90","","90","","90","","4667.3","0.3","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 Cl N2 O2 P Pd S -","- C54 H52 Cl N2 O2 P Pd S -","- C216 H208 Cl4 N8 O8 P4 Pd4 S4 -","4","1","","Yinhua Huang; Renta Jonathan Chew; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung","Asymmetric Synthesis of Enaminophosphines via Palladacycle-Catalyzed Addition of Ph2PH to α,β-Unsaturated Imines","Journal of Organic Chemistry","2012","77","","6849","6854","10.1021/jo300893s","","","0.71073","MoKα","","0.0849","0.051","","","0.1101","0.1397","","","","","","1.051","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027378","7.425","0.001","17.223","0.002","13.022","0.001","90","","96.835","0.01","90","","1653.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 O4 -","- C23 H14 O4 -","- C92 H56 O16 -","4","1","","Alessia Coletti; Sara Lentini; Valeria Conte; Barbara Floris; Olga Bortolini; Fabio Sforza; Fabrizia Grepioni; Pierluca Galloni","Unexpected One-Pot Synthesis of Highly Conjugated Pentacyclic Diquinoid Compounds","Journal of Organic Chemistry","2012","77","","6873","6879","10.1021/jo300985x","","","0.71073","MoKα","","0.0821","0.0382","","","0.0557","0.069","","","","","","0.897","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027379","16.6789","0.0003","9.6995","0.0002","18.7844","0.0004","90","","98.08","0.001","90","","3008.72","0.1","298","2","298","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","bis([3-(tert-butyl-diphenyl-silanyloxy)-diphenyl]-phenylmethyl)-ethynylethyne","","- C74 H66 O2 Si2 -","- C74 H66 O2 Si2 -","- C148 H132 O4 Si4 -","2","0.5","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.1465","0.0632","","","0.1354","0.1682","","","","","","1.009","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027380","14.2314","0.0012","12.007","0.0011","17.6949","0.0018","90","","95.164","0.005","90","","3011.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl-[3-(1,1-diphenyl-prop-2-ynyl)-phenoxy]-diphenyl-silane","","- C37 H34 O Si -","- C37 H34 O Si -","- C148 H136 O4 Si4 -","4","1","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.2523","0.0832","","","0.1394","0.1857","","","","","","0.977","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027381","13.0434","0.0003","14.8934","0.0007","16.8459","0.0008","71.822","0.001","74.263","0.003","71.997","0.003","2901.1","0.2","171","2","171","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Bis(tris-[3-(tert-butyl-diphenyl-silanyloxy)-diphenyl]-phenylmethyl) -ethynylethyne","","- C138 H138 O6 Si6 -","- C138 H138 O6 Si6 -","- C138 H138 O6 Si6 -","1","0.5","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.1578","0.08","","","0.1468","0.1795","","","","","","1.014","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027382","16.6075","0.0012","15.5958","0.0011","9.3671","0.0007","90","","105.497","0.002","90","","2337.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br F3 N2 O4 -","- C24 H20 Br F3 N2 O4 -","- C96 H80 Br4 F12 N8 O16 -","4","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0665","0.0487","","","0.126","0.134","","","","","","1.03","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027383","14.066","0.002","8.7343","0.0013","18.513","0.003","90","","93.425","0.002","90","","2270.4","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br F3 N2 O4 S -","- C22 H17 Br F3 N2 O4 S -","- C88 H68 Br4 F12 N8 O16 S4 -","4","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0637","0.0509","","","0.1363","0.1469","","","","","","1.024","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027384","9.6156","0.0018","10.448","0.002","12.197","0.002","86.817","0.003","74.115","0.003","62.824","0.003","1045","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Br N2 O2 -","- C22 H29 Br N2 O2 -","- C44 H58 Br2 N4 O4 -","2","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0798","0.0646","","","0.1738","0.1899","","","","","","1.069","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027385","6.0736","0.0002","9.8371","0.0004","24.153","0.0011","80.949","0.003","86.31","0.002","78.412","0.002","1395.24","0.1","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 Br2 O2 -","- C37 H24 Br2 O2 -","- C74 H48 Br4 O4 -","2","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.0773","0.0393","","","0.0663","0.09","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027386","8.9009","0.0008","17.725","0.0017","28.318","0.003","90","","90","","90","","4467.7","0.8","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 O2 -","- C31 H22 O2 -","- C248 H176 O16 -","8","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.1487","0.0673","","","0.1623","0.198","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027387","11.8795","0.0011","15.5465","0.0014","13.6599","0.0011","90","","111.548","0.002","90","","2346.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.1169","0.0533","","","0.1275","0.1802","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027388","27.0519","0.0005","14.3057","0.0003","18.1255","0.0006","90","","131.33","0.001","90","","5267.3","0.2","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 O2 -","- C35 H30 O2 -","- C280 H240 O16 -","8","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.0824","0.0502","","","0.1355","0.1657","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027389","9.308","0.0007","12.27","0.0009","31.682","0.002","90","","90","","90","","3618.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 N5 O9 S -","- C32 H39 N5 O9 S -","- C128 H156 N20 O36 S4 -","4","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Regio- and Diastereoselective Synthesis of β-Lactam-Triazole Hybrids via Passerini/CuAAC Sequence","Journal of Organic Chemistry","2012","77","","6917","6928","10.1021/jo301113g","","","0.71073","MoKα","","0.1424","0.0415","","","0.0678","0.0832","","","","","","0.989","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027390","11.279","0.0003","13.8867","0.0004","14.0971","0.0004","90","","95.564","0.003","90","","2197.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N O5 P -","- C24 H24 N O5 P -","- C96 H96 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0618","0.0454","","","0.1137","0.1234","","","","","","1.043","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027391","13.8122","0.0006","13.1379","0.0004","11.7893","0.0006","90","","112.165","0.006","90","","1981.23","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N O5 P -","- C20 H24 N O5 P -","- C80 H96 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0594","0.0416","","","0.0952","0.1045","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027392","7.1222","0.0009","17.729","0.002","16.957","0.002","90","","93.189","0.003","90","","2137.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N O5 P -","- C23 H28 N O5 P -","- C92 H112 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.1811","0.1215","","","0.1844","0.2058","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027393","13.362","0.003","13.883","0.003","7.8491","0.0017","90","","103.842","0.003","90","","1413.8","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0586","0.0501","","","0.1283","0.1351","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027394","9.1437","0.0008","9.3147","0.0007","12.7844","0.0016","92.975","0.008","95.65","0.009","91.661","0.006","1081.47","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl3 N O4 S -","- C21 H18 Cl3 N O4 S -","- C42 H36 Cl6 N2 O8 S2 -","2","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0787","0.0536","","","0.1375","0.1581","","","","","","1.063","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027395","13.0768","0.0016","16.069","0.002","8.6435","0.0009","90","","105.021","0.013","90","","1754.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.2069","0.0583","","","0.101","0.1276","","","","","","0.783","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027396","24.956","0.005","8.9926","0.0008","16.635","0.003","90","","129.57","0.03","90","","2877.7","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 N2 O4 -","- C38 H30 N2 O4 -","- C152 H120 N8 O16 -","4","0.5","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.1027","0.0566","","","0.1024","0.1302","","","","","","1.044","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027397","9.1473","0.0001","22.6768","0.0002","10.6126","0.0001","90","","114.247","0.001","90","","2007.19","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","2","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0285","0.0281","","","0.0748","0.0752","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027398","7.4794","0.0004","5.8669","0.0003","21.0058","0.0013","90","","95.322","0.005","90","","917.78","0.09","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0496","0.0404","","","0.0973","0.1052","","","","","","1.072","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027399","7.5942","0.0004","5.8783","0.0003","20.3254","0.0009","90","","93.956","0.004","90","","905.18","0.08","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C44 H40 Cl2 N2 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.062","0.046","","","0.1099","0.1239","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027400","7.6626","0.0002","5.8192","0.0003","21.5776","0.0008","90","","93.278","0.003","90","","960.58","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 F3 N O2 -","- C23 H20 F3 N O2 -","- C46 H40 F6 N2 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0706","0.0661","","","0.1557","0.1589","","","","","","1.049","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027401","9.5228","0.0001","9.7155","0.0001","22.5964","0.0003","90","","90","","90","","2090.59","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0321","0.0306","","","0.0789","0.0805","","","","","","1.063","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027402","10.5822","0.0006","13.911","0.0011","14.6147","0.0011","90","","90","","90","","2151.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl2 N O3 -","- C24 H23 Cl2 N O3 -","- C96 H92 Cl8 N4 O12 -","4","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.094","0.0625","","","0.1281","0.1669","","","","","","1.072","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027403","15.882","0.0016","9.5654","0.0007","11.5424","0.0012","90","","132.73","0.1","90","","1288","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Br4 -","- C12 H8 Br4 -","- C48 H32 Br16 -","4","0.5","","Bichismitha Sahu; Guddeangadi N. Gururaja; Tarun Kumar; Anamitra Chatterjee; Bishwajit Ganguly; Shaikh M. Mobin; Irishi N. N. Namboothiri","Generation and Trapping of a Cage Annulated Vinylidenecarbene and Approaches to Its Cycloalkyne Isomer","Journal of Organic Chemistry","2012","77","","6998","7004","10.1021/jo301215d","","","0.7093","MoKα","","0.1072","0.077","","","0.1878","0.2069","","","","","","1.143","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027404","7.2921","0.0004","7.3234","0.0004","9.7967","0.0006","102.695","0.003","94.987","0.003","109.832","0.002","472.62","0.05","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C19 H31 Cl N2 O -","- C19 H31 Cl N2 O -","- C19 H31 Cl N2 O -","1","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","0.71073","MoKα","","0.0319","0.0305","","0.074","0.0728","0.074","","","","","","0.9999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027405","6.0474","0.0002","6.8974","0.0002","13.9812","0.0004","90","","96.696","0.003","90","","579.2","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C26 H36 N4 O2 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","1.5418","CuKα","","0.0351","0.0329","","0.0882","0.0845","0.0869","","","","","","1.0018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027406","6.0224","0.0003","6.8706","0.0003","15.3642","0.0006","90","","93.565","0.002","90","","634.5","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C28 H40 N4 O4 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","0.71073","MoKα","","0.0582","0.043","","0.1052","0.0971","0.1052","","","","","","0.9669","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027407","14.4974","0.0006","15.9362","0.0007","12.8494","0.0005","90","","111.3","0.003","90","","2765.9","0.2","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H37 B O2 -","- C30 H37 B O2 -","- C120 H148 B4 O8 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1525","0.0782","","","0.2032","0.2416","","","","","","1.226","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027408","6.9096","0.0005","28.792","0.002","16.0491","0.0012","90","","99.82","0.004","90","","3146","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 F6 -","- C37 H32 F6 -","- C148 H128 F24 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1922","0.0676","","","0.1807","0.2505","","","","","","1.002","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027409","10.2047","0.0002","12.2407","0.0002","13.1535","0.0003","90","","101.253","0.001","90","","1611.45","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H43 B3 O6 -","- C34 H43 B3 O6 -","- C68 H86 B6 O12 -","2","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.0826","0.0763","","","0.1862","0.1911","","","","","","1.043","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027410","6.459","0.005","15.98","0.012","24.291","0.019","90","","95.458","0.011","90","","2496","3","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2,4,7-tri-tolyl-pyrene","","","- C37 H28 -","- C37 H28 -","- C148 H112 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1256","0.0596","","","0.1478","0.1912","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027411","20.9783","0.001","7.8705","0.0004","11.662","0.0005","90","","91.72","","90","","1924.64","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Br N O3 S -","- C20 H22 Br N O3 S -","- C80 H88 Br4 N4 O12 S4 -","4","1","","Andrew J. Clark; Alana E. C. Collis; David J. Fox; Lauren L. Halliwell; Natalie James; Rachel K. O'Reilly; Hemal Parekh; Andrew Ross; Andrew B. Sellars; Helen Willcock; Paul Wilson","Atom-Transfer Cyclization with CuSO4/KBH4: A Formal ""Activators Generated by Electron Transfer"" Process Also Applicable to Atom-Transfer Polymerization","Journal of Organic Chemistry","2012","77","","6778","6788","10.1021/jo301429a","","","0.71073","MoKα","","0.0933","0.0606","","","0.1395","0.1547","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027412","24.6918","0.0003","13.08924","0.00015","29.3558","0.0004","90","","90.7654","0.0011","90","","9486.9","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H59 Au2 F6 P2 S Sb -","- C46 H59 Au2 F6 P2 S Sb -","- C368 H472 Au16 F48 P16 S8 Sb8 -","8","2","","Richard J. Mudd; Paul C. Young; James A. Jordan-Hore; Georgina M. Rosair; Ai-Lan Lee","Gold(I)-Catalyzed Addition of Thiols and Thioacids to 3,3-Disubstituted Cyclopropenes","Journal of Organic Chemistry","2012","77","","7633","7639","10.1021/jo300930c","","","1.5418","CuKα","","0.0315","0.0313","","","0.0819","0.082","","","","","","1.041","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027413","9.3522","0.0017","6.0075","0.0011","12.278","0.002","90","","98.837","0.003","90","","681.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O -","- C14 H15 Br N2 O -","- C28 H30 Br2 N4 O2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0315","0.0259","","","0.0551","0.0568","","","","","","0.993","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027414","9.8613","0.0003","16.2226","0.0005","17.3882","0.0005","90","","98.704","0.001","90","","2749.66","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 Br N2 O -","- C33 H29 Br N2 O -","- C132 H116 Br4 N8 O4 -","4","2","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0242","0.024","","","0.0625","0.0627","","","","","","1.041","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027415","9.3871","0.0004","10.3132","0.0005","28.3675","0.0013","90","","90","","90","","2746.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Br N2 O -","- C33 H29 Br N2 O -","- C132 H116 Br4 N8 O4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0288","0.0257","","","0.0611","0.0623","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027416","7.4228","0.0001","7.4246","0.0001","13.3468","0.0002","82.911","0.001","89.498","0.001","77.18","0.001","711.609","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br Cl N2 -","- C14 H18 Br Cl N2 -","- C28 H36 Br2 Cl2 N4 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0228","0.0221","","","0.057","0.0576","","","","","","1.092","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027417","5.562","0.0002","7.5197","0.0002","31.5189","0.001","90","","90","","90","","1318.26","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0321","0.032","","","0.0811","0.0812","","","","","","1.079","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027418","9.1778","0.0005","11.4057","0.0007","16.8718","0.001","90","","99.864","0.001","90","","1740.02","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 Br N3 O5 S -","- C40 H36 Br N3 O5 S -","- C80 H72 Br2 N6 O10 S2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0217","0.0202","","","0.0514","0.052","","","","","","1.024","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027419","10.001","0.0002","12.0602","0.0002","23.3614","0.0004","90","","90","","90","","2817.71","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Br N2 O2 -","- C34 H31 Br N2 O2 -","- C136 H124 Br4 N8 O8 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0217","0.0215","","","0.0572","0.0574","","","","","","1.075","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027420","11.1883","0.0006","6.6495","0.0004","14.707","0.0008","90","","100.137","0.001","90","","1077.07","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N3 O5 S -","- C21 H22 Br N3 O5 S -","- C42 H44 Br2 N6 O10 S2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.025","0.0234","","","0.0575","0.0583","","","","","","1.039","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027421","19.8216","0.0016","8.806","0.0007","18.8374","0.0016","90","","94.835","0.001","90","","3276.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N3 O5 S -","- C39 H35 N3 O5 S -","- C156 H140 N12 O20 S4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0498","0.0406","","","0.1032","0.1112","","","","","","1.032","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027422","6.9421","0.0002","13.605","0.0003","15.4899","0.0004","90","","90","","90","","1462.98","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C64 H88 N8 O8 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0333","0.0325","","","0.083","0.0844","","","","","","1.037","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027423","11.203","","15.093","","27.684","","90","","90","","90","","4681","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C91 H19 N O -","- C91 H19 N O -","- C364 H76 N4 O4 -","4","1","","Ling Ni; Wei-Wei Yang; Zong-Jun Li; Di Wu; Xiang Gao","Regioselective Oxazolination of C702- and Formation of cis-1 C70 Adduct with Respect to the Apical Pentagon","Journal of Organic Chemistry","2012","77","","7299","7306","10.1021/jo301017a","","","0.71073","MoKα","","0.0865","0.0578","","","0.1136","0.1279","","","","","","0.954","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027424","13.8598","0.0007","11.5756","0.0007","23.3102","0.0012","90","","90","","90","","3739.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H Cl N O -","- C2.13333 H1.70667 Cl0.213333 N0.213333 O0.213333 -","- C160 H128 Cl16 N16 O16 -","75","18.75","","Zhiguo Zhang; Shiliang Fang; Qingfeng Liu; Guisheng Zhang","Approach to Polysubstituted 4-Pyridones from N-Aryl Acetoacetamides via a N to C1,3-Acyl Migration Mediated by Sodium Persulfate","Journal of Organic Chemistry","2012","77","","7665","7670","10.1021/jo3010217","","","0.71073","MoKα","","0.1029","0.0502","","","0.0923","0.1111","","","","","","1.009","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027425","8.6034","0.0001","8.8273","0.0001","29.7562","0.0003","90","","92.384","0.001","90","","2257.87","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(tetramethylammonium) Methylbutenoate-2-hydroxylate-3-diazeniumdiolate trihydrate methanolate","","- C14 H40 N4 O9 -","- C14 H40 N4 O9 -","- C56 H160 N16 O36 -","4","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0801","0.0462","","","0.1129","0.1248","","","","","","0.926","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027426","7.96","0.0005","13.3679","0.0008","7.1314","0.0005","90","","110.789","0.001","90","","709.44","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 K2 N2 O5 -","- C2 H4 K2 N2 O5 -","- C8 H16 K8 N8 O20 -","4","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0182","0.0169","","","0.0432","0.0438","","","","","","1.052","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027427","8.5716","0.0002","13.3306","0.0004","11.4902","0.0004","90","","99.517","0.002","90","","1294.85","0.07","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H3 K N2 O4 -","- C4 H3 K N2 O4 -","- C32 H24 K8 N16 O32 -","8","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0354","0.0301","","","0.0868","0.0899","","","","","","1.052","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027428","6.45626","0.0001","19.1","0.0003","10.28008","0.00018","90","","93.5342","0.0016","90","","1265.27","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","1.54184","CuKα","","0.0417","0.0392","","0.0992","0.0964","0.0992","","","","","","0.9573","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027429","18.217","0.0003","11.5367","0.0003","18.8611","0.0004","90","","118.595","0.0013","90","","3480.43","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl3 N O3 -","- C16 H20 Cl3 N O3 -","- C128 H160 Cl24 N8 O24 -","8","2","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0754","0.0525","","0.0729","0.0554","0.0527","","","","","","1.1169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027430","9.9494","0.0002","12.344","0.0002","16.4318","0.0003","90","","98.2484","0.0008","90","","1997.2","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0744","0.0439","","0.0803","0.044","0.0414","","","","","","1.1342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027431","14.8991","0.0004","5.5973","0.0002","18.9178","0.0006","90","","108.126","0.0016","90","","1499.35","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0901","0.0479","","0.0858","0.0465","0.043","","","","","","1.1383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027432","5.6912","0.0001","11.144","0.0003","12.9653","0.0004","85.9331","0.0012","84.5582","0.0012","87.1641","0.0016","815.77","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C40 H48 F2 N2 O2 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0816","0.048","","0.083","0.0493","0.046","","","","","","1.1348","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027433","6.5113","0.0001","14.8776","0.0002","35.9265","0.0006","90","","95.0616","0.0006","90","","3466.72","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C160 H192 F8 N8 O8 -","8","2","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0841","0.0457","","0.106","0.0927","0.106","","","","","","0.9597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027434","7.2525","0.0002","10.3974","0.0003","16.8918","0.0006","90","","90","","90","","1273.76","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 F N O -","- C14 H20 F N O -","- C56 H80 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0699","0.0523","","0.1357","0.1286","0.1357","","","","","","0.9633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027435","15.0623","0.0003","9.4128","0.0002","17.4909","0.0004","90","","110.578","0.0009","90","","2321.6","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B Cl3 F5 N O -","- C20 H24 B Cl3 F5 N O -","- C80 H96 B4 Cl12 F20 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0886","0.07","","0.1855","0.1724","0.1855","","","","","","1.0157","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027436","9.8827","0.0002","15.4422","0.0003","12.2289","0.0003","90","","108.235","0.0009","90","","1772.54","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F N O -","- C21 H26 F N O -","- C84 H104 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0494","0.0365","","0.0903","0.085","0.0903","","","","","","0.9613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027437","6.0856","0.0001","17.563","0.0004","14.1524","0.0003","90","","101.753","0.001","90","","1480.92","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0413","0.0356","","0.0827","0.0805","0.0827","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027438","12.5153","0.0004","5.484","0.0002","17.6551","0.0005","90","","103.719","0.0013","90","","1177.17","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 F N O -","- C13 H18 F N O -","- C52 H72 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0499","0.0413","","0.103","0.0986","0.103","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027439","8.0438","0.0002","10.6147","0.0002","14.3517","0.0003","79.2464","0.001","84.2125","0.001","87.7064","0.0008","1197.45","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C54 H58 F2 N4 O8 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0447","0.037","","0.0946","0.0898","0.0946","","","","","","0.9809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027440","11.27558","0.00011","17.01873","0.00018","20.3064","0.0002","90","","90","","90","","3896.72","0.07","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 F N O -","- C24 H26 F N O -","- C192 H208 F8 N8 O8 -","8","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","1.54184","CuKα","","0.0442","0.0372","","0.0967","0.0907","0.0967","","","","","","0.9959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027441","8.5321","0.0001","15.4179","0.0002","18.4954","0.0003","90","","97.311","0.0007","90","","2413.24","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C108 H116 F4 N8 O16 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0547","0.042","","0.0995","0.0929","0.0995","","","","","","0.9927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027442","10.1973","0.0002","8.2488","0.0001","24.7522","0.0005","90","","96.244","0.0006","90","","2069.69","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F N O -","- C25 H28 F N O -","- C100 H112 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0639","0.0437","","0.1135","0.1042","0.1135","","","","","","0.9457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027443","9.834","0.003","21.975","0.006","10.063","0.003","90","","101.023","0.005","90","","2134.5","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.0982","0.0538","","","0.1014","0.114","","","","","","0.802","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027444","9.157","0.004","11.436","0.005","11.83","0.005","111.732","0.008","92.678","0.007","111.409","0.008","1047.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C44 H46 N2 O10 -","2","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.1081","0.0607","","","0.1243","0.1349","","","","","","0.801","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027445","10.503","0.003","12.281","0.003","11.173","0.003","90","","100.114","0.005","90","","1418.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.114","0.0568","","","0.0905","0.1034","","","","","","0.745","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027446","10.897","0.003","16.638","0.004","12.533","0.003","90","","91.566","0.005","90","","2271.4","1","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frows01","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","William T. Spencer; Alison J. Frontier","Cycloaromatization Protocol for Synthesis of Polysubstituted Phenol Derivatives: Method Development and Mechanistic Studies","Journal of Organic Chemistry","2012","77","","7730","7736","10.1021/jo3010952","","","0.71073","MoKα","","0.0959","0.0522","","","0.1251","0.1472","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027447","11.1006","0.0018","15.181","0.002","7.5819","0.0012","90","","90.084","0.003","90","","1277.7","0.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","frows03","","","- C16 H13 D5 O -","- C16 H13 D5 O -","- C64 H52 D20 O4 -","4","1","","William T. Spencer; Alison J. Frontier","Cycloaromatization Protocol for Synthesis of Polysubstituted Phenol Derivatives: Method Development and Mechanistic Studies","Journal of Organic Chemistry","2012","77","","7730","7736","10.1021/jo3010952","","","0.71073","MoKα","","0.1003","0.067","","","0.1677","0.1898","","","","","","1.037","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027448","13.724","0.006","7.874","0.004","7.137","0.003","90","","90","","90","","771.2","0.6","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Xi-Ai Gao; Ru-Long Yan; Xian-Xue Wang; Hao Yan; Jian Li; Han Guo; Guo-Sheng Huang","Pd(II)-Catalyzed Synthesis of Benzisoxazolones from Benzohydroxamic Acids via C-H Activation","Journal of Organic Chemistry","2012","77","","7700","7705","10.1021/jo301180k","","","0.71073","MoKα","","0.0526","0.0394","","","0.092","0.0999","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027449","10.321","0.003","10.321","0.003","57.75","0.02","90","","90","","90","","6152","3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C31 H28 N3 O2 -","- C31 H28 N3 O2 -","- C248 H224 N24 O16 -","8","1","","Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu","α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines","Journal of Organic Chemistry","2012","77","","7737","7743","10.1021/jo301192d","","","0.71073","MoKα","","0.2026","0.1402","","","0.34","0.3851","","","","","","1.035","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027450","11.822","0.003","15.382","0.003","28.246","0.007","90","","90","","90","","5136","2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H26 Cl3 N3 O -","- C28 H26 Cl3 N3 O -","- C224 H208 Cl24 N24 O8 -","8","1","","Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu","α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines","Journal of Organic Chemistry","2012","77","","7737","7743","10.1021/jo301192d","","","0.71073","MoKα","","0.0825","0.0472","","","0.1071","0.1243","","","","","","1.062","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027451","10.2734","0.0003","17.7404","0.0004","14.016","0.0003","90","","129.904","0.001","90","","1959.59","0.09","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 I N O3 S -","- C22 H18 I N O3 S -","- C88 H72 I4 N4 O12 S4 -","4","1","","Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan","Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols","Journal of Organic Chemistry","2012","77","","7166","7175","10.1021/jo301198z","","","0.71073","MoKα","","0.0287","0.023","","","0.0515","0.0532","","","","","","1.046","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027452","19.4403","0.0016","7.8778","0.0007","23.408","0.002","90","","90","","90","","3584.9","0.5","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C176 H144 F8 N8 O16 S8 -","8","1","","Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan","Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols","Journal of Organic Chemistry","2012","77","","7166","7175","10.1021/jo301198z","","","0.71073","MoKα","","0.0869","0.0455","","","0.1165","0.1555","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027453","12.13","0.003","19.101","0.005","14.668","0.004","90","","99.951","0.003","90","","3347.4","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H46 O2 -","- C78 H46 O2 -","- C156 H92 O4 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.0833","0.0696","","","0.213","0.2259","","","","","","1.059","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027454","9.5315","0.001","21.487","0.002","17.0652","0.0019","90","","101.999","0.001","90","","3418.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 O4 -","- C82 H50 O4 -","- C164 H100 O8 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.087","0.0717","","","0.2003","0.2099","","","","","","1.205","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027455","22.661","0.003","11.8591","0.0015","16.804","0.002","90","","104.866","0.002","90","","4364.7","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87.32 H57.32 Cl9.96 O4 -","- C87.32 H57.32 Cl9.96 O4 -","- C174.64 H114.64 Cl19.92 O8 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.0924","0.0793","","","0.2442","0.2555","","","","","","1.055","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027456","7.4988","0.0001","25.1729","0.0004","8.5003","0.0001","90","","115.622","0.001","90","","1446.79","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Evans O. Onyango; Peter A. Jacobi","Synthetic Studies on Furanosteroids: Construction of the Viridin Core Structure via Diels-Alder/retro-Diels-Alder and Vinylogous Mukaiyama Aldol-Type Reaction","Journal of Organic Chemistry","2012","77","","7411","7427","10.1021/jo301232w","","x-ray","1.54178","CuKα","","0.0402","0.0369","","","0.0957","0.0983","","","","","","1.067","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027457","24.4458","0.0005","24.4458","0.0005","26.3085","0.0004","90","","90","","120","","13615.6","0.4","150","1","150","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30.33 H37.67 Br2 Fe N3 O1.33 -","- C30.34 H37.68 Br2 Fe N3 O1.33 -","- C546.12 H678.24 Br36 Fe18 N54 O23.94 -","18","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0596","0.0394","","","0.0865","0.0932","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027458","10.302","0.0003","9.9176","0.0003","20.2026","0.0008","90","","94.2098","0.0019","90","","2058.55","0.12","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0828","0.0511","","","0.1167","0.1317","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027459","8.0434","0.0005","11.8212","0.0008","17.4583","0.0011","90","","95.022","0.002","90","","1653.61","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Ende Li; Xingcan Cheng; Chengyu Wang; Yushang Shao; Yanzhong Li","Palladium-Catalyzed Synthesis of 2,3,4-Trisubstituted Furans via Cascade Reactions of Aryloxy-enynes with Aryl Halides","Journal of Organic Chemistry","2012","77","","7744","7748","10.1021/jo3012545","","","0.71073","MoKα","","0.0531","0.0425","","","0.1094","0.1174","","","","","","1.03","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027460","15.1","0.002","10.896","0.001","10.787","0.001","90","","90","","90","","1774.8","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","5,5-difluoro-2,8-dimethyl-3,7-di(thiophen-2-yl)-5H-dipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinin-6-ium-5-uide","","- C19 H15 B F2 N2 S2 -","- C19 H15 B F2 N2 S2 -","- C76 H60 B4 F8 N8 S8 -","4","1","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","0.7107","MoKα","","0.0538","0.0362","","","0.0793","0.0885","","","","","","1.058","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027461","14.048","0.005","6.393","0.006","14.113","0.003","90","","90","","90","","1267.5","1.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5,5-difluoro-2,3,7,8-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2] diazaborinin-6-ium-5-uide","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","0.5","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","1.54187","CuKα","","0.0615","0.0464","","","0.1294","0.1525","","","","","","1.068","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027462","29.821","0.003","13.0253","0.0012","11.3123","0.001","90","","108.2","0.008","90","","4174.2","0.7","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","7,7'-([2,2'-bithiophene]-5,5'-diyl)bis(3-(5-bromothiophen-2-yl)- 5,5-difluoro-2,8-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2] diazaborinin-6-ium-5-uide)","","- C40 H30 B2 Br2 F4 N4 O0.5 S4 -","- C38 H26 B2 Br2 F4 N4 S4 -","- C152 H104 B8 Br8 F16 N16 S16 -","4","0.5","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","1.54187","CuKα","","0.1234","0.0893","","","0.257","0.3144","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027463","17.7159","0.0018","9.6703","0.0009","29.114","0.003","90","","90","","90","","4987.8","0.9","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Br Cl F N2 O -","- C28 H23 Br Cl F N2 O -","- C224 H184 Br8 Cl8 F8 N16 O8 -","8","1","","Bo Jiang; Ying Li; Man-Su Tu; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns","Journal of Organic Chemistry","2012","77","","7497","7505","10.1021/jo301323r","","","0.71073","MoKα","","0.1201","0.0557","","","0.1372","0.1549","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027464","6.562","0.0008","15.7896","0.0016","22.268","0.002","90","","93.484","0.001","90","","2303","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl N2 O3 -","- C25 H25 Cl N2 O3 -","- C100 H100 Cl4 N8 O12 -","4","1","","Bo Jiang; Ying Li; Man-Su Tu; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns","Journal of Organic Chemistry","2012","77","","7497","7505","10.1021/jo301323r","","","0.71073","MoKα","","0.1705","0.0599","","","0.0809","0.0966","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027465","7.744","0.008","17.071","0.016","10.665","0.01","90","","104.316","0.014","90","","1366","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N4 O S3 -","- C14 H8 N4 O S3 -","- C56 H32 N16 O4 S12 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.71075","MoKα","","0.0754","0.0604","","","0.1589","0.1841","","","","","","1.336","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027466","13.891","0.003","11.994","0.003","12.028","0.003","90","0.0016","122.982","0.002","90","0.0016","1681","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 S3 -","- C18 H14 N4 S3 -","- C72 H56 N16 S12 -","4","0.5","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0397","0.0386","","","0.1005","0.1017","","","","","","1.098","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027467","7.961","0.003","9.065","0.004","23.363","0.008","90","0.004","92.484","0.004","90","0.004","1684.4","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 S3 -","- C18 H14 N4 S3 -","- C72 H56 N16 S12 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0477","0.0444","","","0.1479","0.1528","","","","","","1.177","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027468","19.399","0.003","73.053","0.006","6.4702","0.0007","90","","90","","90","","9169.3","1.9","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H26 N4 O S -","- C26 H28 N4 O S -","- C416 H448 N64 O16 S16 -","16","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0358","0.0351","","","0.1011","0.1042","","","","","","0.817","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027469","21.1724","0.0011","13.2827","0.0005","7.0396","0.0002","90","","90","","90","","1979.72","0.14","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C96 H88 N16 O8 S4 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0261","0.0261","","","0.0716","0.0716","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027470","10.505","0.002","24.665","0.004","11.273","0.002","90","","116.31","0.01","90","","2618.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 S2 -","- C28 H34 N2 O3 S2 -","- C112 H136 N8 O12 S8 -","4","2","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","0.71069","MoKα","","0.0551","0.0414","","","0.0923","0.1008","","","","","","1.02","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027471","11.5299","0.0008","10.2662","0.0004","11.8713","0.0008","90","","119.144","0.008","90","","1227.29","0.16","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O3 S2 -","- C24 H30 N2 O3 S2 -","- C48 H60 N4 O6 S4 -","2","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.0362","0.0336","","","0.0839","0.0858","","","","","","1.007","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027472","21.3898","0.0014","9.7688","0.0008","12.5363","0.0009","90","","109.462","0.005","90","","2469.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H30 N2 O3 S2 -","- C24 H30 N2 O3 S2 -","- C96 H120 N8 O12 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.1331","0.0663","","","0.1291","0.1847","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027473","5.8634","0.0001","16.1936","0.0004","29.196","0.0002","90","","90","","90","","2772.15","0.09","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N2 O3 S2 -","- C29 H38 N2 O3 S2 -","- C116 H152 N8 O12 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.065","0.0424","","","0.079","0.1056","","","","","","1.181","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027474","6.285","0.001","17.836","0.003","27.578","0.003","90","","90","","90","","3091.5","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl3 N2 O5 S2 -","- C26 H31 Cl3 N2 O5 S2 -","- C104 H124 Cl12 N8 O20 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","0.71069","MoKα","","0.1087","0.0798","","","0.2019","0.2292","","","","","","1.04","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027475","13.0891","0.0004","9.7802","0.0003","22.77","0.0016","90","","96.735","0.007","90","","2894.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O3 S2 -","- C29 H38 N2 O3 S2 -","- C116 H152 N8 O12 S8 -","4","2","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.1101","0.0408","","","0.0811","0.1173","","","","","","1.1","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027476","5.7918","0.0001","17.1657","0.0005","25.058","0.0017","90","","90","","90","","2491.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O8 S2 -","- C22 H23 N3 O8 S2 -","- C88 H92 N12 O32 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.0895","0.0516","","","0.1204","0.1695","","","","","","1.215","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027477","9.4174","0.0004","10.2417","0.0004","13.5578","0.0004","107.832","0.001","90.81","","93.429","0.001","1241.88","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Paul A. Vadola; Dalibor Sames","Catalytic Coupling of Arene C-H Bonds and Alkynes for the Synthesis of Coumarins: Substrate Scope and Application to the Development of Neuroimaging Agents","Journal of Organic Chemistry","2012","77","","7804","7814","10.1021/jo3006842","","","0.71073","MoKα","","0.0673","0.0476","","","0.122","0.1341","","","","","","1.031","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027478","21.575","0.014","8.693","0.005","10.727","0.006","90","","90","","90","","2012","2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H25 N O9 -","- C19 H25 N O9 -","- C76 H100 N4 O36 -","4","1","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","0.7107","MoKα","","0.113","0.0714","","","0.1576","0.1881","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027479","12.405","0.003","5.4897","0.0014","27.102","0.005","90","","97.034","0.016","90","","1831.7","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O9 -","- C18 H22 O9 -","- C72 H88 O36 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","0.71073","MoKα","","0.1858","0.0923","","","0.1834","0.2372","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027480","12.0417","0.001","5.465","0.0005","25.3903","0.0017","90","","101.315","0.004","90","","1638.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O8 -","- C17 H18 O8 -","- C68 H72 O32 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","1.54178","CuKα","","0.049","0.0444","","","0.1175","0.1212","","","","","","1.069","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027481","15.598","0.008","5.885","0.007","24.32","0.003","90","","99.165","0.01","90","","2204","3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.0874","0.0502","","","0.1078","0.1297","","","","","","1.021","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027482","8.064","0.002","9.03","0.002","16.884","0.005","97.742","0.003","98.905","0.003","111.668","0.002","1103.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C56 H48 O10 -","2","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.059","0.0429","","","0.1031","0.1154","","","","","","1.01","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027483","9.627","0.006","22.777","0.015","20.968","0.014","90","","90.706","0.007","90","","4597","5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 O10 -","- C56 H44 O10 -","- C224 H176 O40 -","4","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.1454","0.0588","","","0.1052","0.1468","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027484","8.4484","0.0009","5.7765","0.0007","20.541","0.003","90","","92.337","0.003","90","","1001.6","0.2","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","iminosugars","","","- C21 H25 N3 O6 -","- C21 H25 N3 O6 -","- C42 H50 N6 O12 -","2","1","","Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies","Journal of Organic Chemistry","2012","77","","7873","7882","10.1021/jo3009534","","","0.71073","MoKα","","0.0758","0.0668","","","0.1806","0.1899","","","","","","1.004","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027485","6.299","0.001","39.634","0.008","9.864","0.002","90","","108.327","0.014","90","","2337.7","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","iminosugars","","","- C24 H28 Cl2 O6 -","- C24 H28 Cl2 O6 -","- C96 H112 Cl8 O24 -","4","2","","Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies","Journal of Organic Chemistry","2012","77","","7873","7882","10.1021/jo3009534","","","0.71073","MoKα","","0.0956","0.0841","","","0.1676","0.1729","","","","","","1.185","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027486","8.2485","0.0012","18.038","0.003","18.437","0.003","90","","98.36","0.003","90","","2714","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-benzene","","- C30 H32 O2 -","- C30 H32 O2 -","- C120 H128 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1161","0.0759","","","0.2181","0.2447","","","","","","1.039","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027487","8.2078","0.001","17.596","0.002","17.918","0.002","90","","97.284","0.002","90","","2566.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-Benzonitrile","","- C31 H33 N O2 -","- C31 H31 N O2 -","- C124 H124 N4 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0674","0.0475","","","0.1166","0.1284","","","","","","1.018","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027488","8.0967","0.0018","17.94","0.004","17.98","0.004","89.165","0.004","83.195","0.005","89.235","0.004","2592.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-o-dichlorobenzene","","- C30 H32 Cl2 O2 -","- C30 H30 Cl2 O2 -","- C120 H120 Cl8 O8 -","4","2","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1039","0.0712","","","0.1908","0.2122","","","","","","1.061","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027489","8.201","0.0018","17.558","0.004","17.919","0.004","90","","96.593","0.005","90","","2563.1","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-nitrobenzene","","- C30 H33 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0978","0.0683","","","0.1817","0.2024","","","","","","1.054","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027490","12.377","0.003","14.581","0.004","13.551","0.004","90","","96.804","0.005","90","","2428.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-pyridine","","- C29 H33 N O2 -","- C29 H31 N O2 -","- C116 H124 N4 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0824","0.0626","","","0.1688","0.1848","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027491","17.4544","0.0018","18.217","0.002","17.9014","0.0018","90","","94.161","0.002","90","","5677","1","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-4Benzene","","- C72 H66 O4 -","- C69 H63 O4 -","- C276 H252 O16 -","4","2","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1577","0.0934","","","0.1878","0.2145","","","","","","1.051","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027492","8.811","0.003","18.184","0.006","17.936","0.006","90","","92.682","0.007","90","","2870.5","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-3Benzonitrile","","- C69 H57 N3 O4 -","- C69 H57 N3 O4 -","- C138 H114 N6 O8 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1288","0.0768","","","0.1564","0.1814","","","","","","1.05","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027493","7.946","0.005","16.796","0.01","18.346","0.011","90","","98.591","0.011","90","","2421","3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-2Nitrobenzene","","- C60 H52 N2 O8 -","- C30 H26 N O4 -","- C120 H104 N4 O16 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1203","0.0626","","","0.1474","0.1675","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027494","8.773","0.004","18.152","0.008","17.899","0.008","90","","92.966","0.009","90","","2847","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-1Nitrobenzene-2Benzene","","- C66 H59 N O6 -","- C66 H59 N O6 -","- C132 H118 N2 O12 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1195","0.0778","","","0.1985","0.2116","","","","","","1.01","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4027495","12.268","0.002","12.809","0.002","13.237","0.002","62.041","0.003","74.343","0.003","86.046","0.003","1765.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene -4ortho-dichlorobenzene-2pyridine","","- C82 H68 Cl8 N2 O4 -","- C41 H34 Cl4 N O2 -","- C82 H68 Cl8 N2 O4 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0946","0.0702","","","0.1831","0.2008","","","","","","1.048","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027496","6.33117","0.00011","16.0227","0.0003","16.6694","0.0012","72.265","0.005","86.022","0.006","81.314","0.006","1591.66","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","2","","Santosh Keshipeddy; Isamir Martínez; Bernard F. Castillo; Martha D. Morton; Amy R. Howell","Toward a Formal Synthesis of Laureatin: Unexpected Rearrangements Involving Cyclic Ether Nucleophiles","Journal of Organic Chemistry","2012","77","","7883","7890","10.1021/jo301048z","","","1.54187","CuKα","","","0.0639","","","","0.1884","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027497","6.3318","0.0007","10.132","0.002","11.589","0.002","101.78","0.02","92.89","0.02","80.51","0.02","717.8","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","","1.54178","CuKα","","0.0525","0.0525","","0.0802","","0.0802","","","1.867","","","1.867","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027498","20.131","0.004","5.594","0.0011","10.268","0.002","90","","93.24","0.03","90","","1154.5","0.4","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","0.71073","MoKα","","0.0925","0.0563","","","0.1225","0.1412","","","","","","1.127","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027499","9.988","0.002","7.3613","0.0015","20.055","0.004","90","","101.07","0.03","90","","1447.1","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","1.54178","CuKα","","0.0891","0.0664","","","0.1774","0.1932","","","","","","1.038","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027500","8.898","0.0018","11.057","0.002","16.775","0.003","90","","90","","90","","1650.4","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C64 H104 N8 O12 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","1.54178","CuKα","","0.072","0.0407","","","0.1023","0.1147","","","","","","1.027","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027501","7.5536","0.0018","7.5571","0.0018","16.888","0.004","91.672","0.003","98.728","0.003","102.127","0.003","929.7","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H22 Br N O4 S -","- C18 H22 Br N O4 S -","- C36 H44 Br2 N2 O8 S2 -","2","2","","Yun-Long Guo; Jian-Fei Bai; Lin Peng; Liang-Liang Wang; Li-Na Jia; Xi-Ya Luo; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","Direct Asymmetric Vinylogous Mannich Reaction of 3,4-Dihalofuran-2(5H)-one with Aldimine Catalyzed by Quinine","Journal of Organic Chemistry","2012","77","","8338","8343","10.1021/jo301115t","","","0.71073","MoKα","","0.0584","0.0457","","","0.1174","0.1274","","","","","","1.027","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027502","7.723","0.006","14.057","0.011","9.372","0.007","90","","100.703","0.013","90","","999.7","1.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H18 F6 Fe N O P -","- C18 H18 F6 Fe N O P -","- C36 H36 F12 Fe2 N2 O2 P2 -","2","1","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.035","0.0339","","","0.0965","0.098","","","","","","1.035","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027503","9.4989","0.0009","14.4181","0.0014","25.099","0.002","90","","90","","90","","3437.5","0.5","132","2","132","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Mo N O7 P -","- C36 H26 Mo N O7 P -","- C144 H104 Mo4 N4 O28 P4 -","4","1","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.028","0.0257","","","0.062","0.063","","","","","","0.934","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027504","9.6342","0.0006","31.0416","0.0018","10.4692","0.0006","90","","107.998","0.001","90","","2977.7","0.3","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C24 H25 F12 N O P Pd Sb -","- C24 H25 F12 N O P Pd Sb -","- C96 H100 F48 N4 O4 P4 Pd4 Sb4 -","4","2","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.0306","0.029","","","0.0714","0.0724","","","","","","1.052","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027505","7.648","0.004","18.045","0.01","11.434","0.006","90","","103.497","0.007","90","","1534.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br N2 O Pd S2 -","- C14 H13 Br N2 O Pd S2 -","- C56 H52 Br4 N8 O4 Pd4 S8 -","4","1","","Qun-Li Luo; Jian-Ping Tan; Zhi-Fu Li; Wen-Hui Nan; Dong-Rong Xiao","Suzuki-Miyaura Coupling of Aryl Iodides, Bromides, and Chlorides Catalyzed by Bis(thiazole) Pincer Palladium Complexes","Journal of Organic Chemistry","2012","77","","8332","8337","10.1021/jo3011733","","","0.71073","MoKα","","0.0887","0.0686","","","0.1881","0.2041","","","","","","1.341","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027506","23.163","0.005","6.9651","0.0014","23.617","0.005","90","","118.15","0.03","90","","3359.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N2 O3.5 Pd S2 -","- C16 H14 N2 O3.5 Pd S2 -","- C128 H112 N16 O28 Pd8 S16 -","8","2","","Qun-Li Luo; Jian-Ping Tan; Zhi-Fu Li; Wen-Hui Nan; Dong-Rong Xiao","Suzuki-Miyaura Coupling of Aryl Iodides, Bromides, and Chlorides Catalyzed by Bis(thiazole) Pincer Palladium Complexes","Journal of Organic Chemistry","2012","77","","8332","8337","10.1021/jo3011733","","","0.71073","MoKα","","0.2588","0.0796","","","0.1347","0.1783","","","","","","0.928","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027507","9.6958","0.0006","6.1371","0.0004","10.4129","0.0006","90","","92.587","0.001","90","","618.98","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C26 H38 N2 O8 -","2","1","","Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa","Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine","Journal of Organic Chemistry","2012","77","","7988","7999","10.1021/jo301178b","","","0.71073","MoKα","","0.0318","0.0307","","","0.0763","0.077","","","","","","1.505","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027508","5.6966","0.0001","15.5167","0.0004","19.3507","0.0005","90","","90","","90","","1710.46","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa","Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine","Journal of Organic Chemistry","2012","77","","7988","7999","10.1021/jo301178b","","","1.54178","CuKα","","0.0312","0.0311","","","0.0842","0.0843","","","","","","1.056","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027509","10.656","0.0002","8.0887","0.0001","12.7562","0.0003","90","","105.223","0.001","90","","1060.92","0.03","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 O3 Si -","- C21 H30 O3 Si -","- C42 H60 O6 Si2 -","2","1","","Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio","A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton","Journal of Organic Chemistry","2012","77","","7968","7980","10.1021/jo3011914","","","0.71073","MoKα","","0.0406","0.0371","","","0.0895","0.0923","","","","","","1.03","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027510","19.6136","0.0012","7.3535","0.0004","16.0097","0.001","90","","100.394","0.004","90","","2271.2","0.2","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H33 N O2 Si -","- C24 H33 N O2 Si -","- C96 H132 N4 O8 Si4 -","4","1","","Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio","A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton","Journal of Organic Chemistry","2012","77","","7968","7980","10.1021/jo3011914","","","0.71073","MoKα","","0.0401","0.0347","","","0.0795","0.0828","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027511","12.8713","0.0008","6.0733","0.0004","16.3916","0.001","90","","107.338","0.001","90","","1223.13","0.13","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0431","0.0403","","","0.1017","0.1052","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027512","8.0061","0.0006","12.2611","0.0009","18.0754","0.0015","90","","100.975","0.002","90","","1741.9","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0618","0.0376","","","0.0861","0.1006","","","","","","1.019","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027513","9.9079","0.0004","7.3435","0.0003","18.4664","0.0008","90","","101.148","0.001","90","","1318.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 O4 -","- C32 H32 N4 O4 -","- C64 H64 N8 O8 -","2","0.5","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0436","0.0388","","","0.1172","0.123","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027514","19.36","0.0007","19.1405","0.0007","20.7892","0.0006","90","","101.023","0.001","90","","7561.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(14R(S),15R(S))-14-Carbamoyl-15-carboxy-7- azadispiro[5.1.5.2]pentadecane-7-oxyl ethyl acetate solvate","","- C17 H27 N2 O4.5 -","- C17 H27 N2 O4.5 -","- C272 H432 N32 O72 -","16","4","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.1168","0.0742","","","0.1977","0.2377","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027515","6.6265","0.0003","20.2553","0.0009","11.5994","0.0005","90","","103.759","0.002","90","","1512.22","0.12","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","14-Carbamoyl-7-azadispiro[5.1.5.2]pentadecane-7-oxyl monohydrate","","- C15 H27 N2 O3 -","- C15 H27 N2 O3 -","- C60 H108 N8 O12 -","4","1","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.0456","0.0384","","","0.1062","0.1232","","","","","","1.127","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027516","9.2386","0.0008","24.0533","0.0017","6.5901","0.0005","90","","90","","90","","1464.4","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","14R(S),15R(S)-14,15-dicyano-7-azadispiro[5.1.5.2]pentadecane-7-oxyl","","- C16 H22 N3 O -","- C16 H22 N3 O -","- C64 H88 N12 O4 -","4","1","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.0363","0.035","","","0.0926","0.098","","","","","","1.155","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027517","7.3151","0.0008","7.761","0.0009","11.2261","0.0012","110.235","0.005","93.78","0.005","93.453","0.005","594.35","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","","Sharavathi G. Parameswarappa; F. Christopher Pigge","Intramolecular Cyclization Manifolds of 4-Alkylpyridines Bearing Ambiphilic Side Chains: Construction of Spirodihydropyridines or Benzylic Cyclization via Anhydrobase Intermediates","Journal of Organic Chemistry","2012","77","","8038","8048","10.1021/jo301247c","","","0.71073","MoKα","","0.0993","0.0688","","","0.1695","0.2008","","","","","","1.391","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027518","8.2463","0.0011","8.2323","0.0011","13.291","0.0018","90","","105.257","0.001","90","","870.5","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Ping Huang; Qin Yang; Zhiyuan Chen; Qiuping Ding; Jingshi Xu; Yiyuan Peng","Metal Cocatalyzed Tandem Alkynylative Cyclization Reaction of in Situ Formed N-Iminoisoquinolinium Ylides with Bromoalkynes via C-H Bond Activation","Journal of Organic Chemistry","2012","77","","8092","8098","10.1021/jo3013429","","","0.71073","MoKα","","0.0455","0.0373","","","0.0955","0.1012","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027519","11.0264","0.0003","12.8797","0.0003","14.4734","0.0003","90","","90","","90","","2055.46","0.09","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Nayyef Aljaar; Chandi C. Malakar; Jürgen Conrad; Sabine Strobel; Thomas Schleid; Uwe Beifuss","Cu-Catalyzed Reaction of 1,2-Dihalobenzenes with 1,3-Cyclohexanediones for the Synthesis of 3,4-Dihydrodibenzo[b,d]furan-1(2H)-ones","Journal of Organic Chemistry","2012","77","","7793","7803","10.1021/jo3014275","","","0.71073","MoKα","","0.0803","0.0617","","","0.156","0.1716","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027520","8.2833","0.0017","11.337","0.002","14.145","0.003","88.66","0.03","84.99","0.03","80.94","0.03","1306.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N6 O6 -","- C25 H34 N6 O6 -","- C50 H68 N12 O12 -","2","1","","Wei-Jun Chu; Jianming Chen; Chuan-Feng Chen; Yong Yang; Zhigang Shuai","Amidourea-Based Hydrogen-Bonded Heteroduplexes: Structure and Assembling Selectivity","Journal of Organic Chemistry","2012","77","","7815","7822","10.1021/jo301434a","","","0.71073","MoKα","","0.24","0.1392","","","0.2236","0.274","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027521","6.6086","0.0015","7.6941","0.0018","13.414","0.003","88.615","0.018","79.423","0.017","75.95","0.019","650.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ADT-TMSI","ADT-TMSI","","- C24 H24 I2 S2 Si2 -","- C24 H24 I2 S2 Si2 -","- C24 H24 I2 S2 Si2 -","1","0.5","","Masahiro Nakano; Kazuki Niimi; Eigo Miyazaki; Itaru Osaka; Kazuo Takimiya","Isomerically Pure Anthra[2,3-b:6,7-b']-difuran (anti-ADF), -dithiophene (anti-ADT), and -diselenophene (anti-ADS): Selective Synthesis, Electronic Structures, and Application to Organic Field-Effect Transistors","Journal of Organic Chemistry","2012","77","","8099","8111","10.1021/jo301438t","","","0.71069","MoKα","","0.0686","0.0673","","","0.187","0.1882","","","","","","1.174","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027522","7.36","0.002","8.125","0.003","20.588","0.007","90","","90","","90","","1231.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Bowen Fang; Huaiji Zheng; Changgui Zhao; Peng Jing; Huilin Li; Xingang Xie; Xuegong She","Synthesis of the Tetracyclic Core (ABCE Rings) of Daphenylline","Journal of Organic Chemistry","2012","77","","8367","8373","10.1021/jo301533f","","","0.71073","MoKα","","0.0604","0.0444","","","0.0881","0.0944","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027523","7.866","0.004","11.435","0.006","13.934","0.007","74.892","0.005","75.847","0.005","80.987","0.005","1167.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O7 S -","- C21 H22 N2 O7 S -","- C42 H44 N4 O14 S2 -","2","1","","Bowen Fang; Huaiji Zheng; Changgui Zhao; Peng Jing; Huilin Li; Xingang Xie; Xuegong She","Synthesis of the Tetracyclic Core (ABCE Rings) of Daphenylline","Journal of Organic Chemistry","2012","77","","8367","8373","10.1021/jo301533f","","","0.71073","MoKα","","0.0814","0.0533","","","0.1427","0.1585","","","","","","1.044","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027524","9.6169","0.0005","12.7831","0.0009","13.5263","0.0009","90","","90.225","0.002","90","","1662.83","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Akhilesh K. Verma; Rajeev R. Jha; Ritu Chaudhary; Rakesh K. Tiwari; Kotla Siva K. Reddy; Abhinandan Danodia","Copper-Catalyzed Tandem Synthesis of Indolo-, Pyrrolo[2,1-a]isoquinolines, Naphthyridines and Bisindolo/Pyrrolo[2,1-a]isoquinolines via Hydroamination of ortho-Haloarylalkynes Followed by C-2 Arylation","Journal of Organic Chemistry","2012","77","","8191","8205","10.1021/jo301572p","","","0.71073","MoKα","","0.0657","0.0527","","","0.1309","0.1429","","","","","","1.025","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027525","14.1239","0.0007","14.642","0.0006","16.5327","0.0009","113.017","0.004","96.965","0.004","113.944","0.005","2712.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H51 N5 O3 -","- C55 H51 N5 O3 -","- C110 H102 N10 O6 -","2","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","1.54178","CuKα","","0.1041","0.083","","","0.2254","0.2358","","","","","","1.385","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027526","9.4631","0.001","14.978","0.0014","15.1031","0.0016","69.754","0.009","80.705","0.009","73.915","0.009","1924.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 Cl N4 O -","- C50 H41 Cl N4 O -","- C100 H82 Cl2 N8 O2 -","2","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.3536","0.0663","","","0.0557","0.0839","","","","","","0.635","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027527","11.5264","0.0002","26.2557","0.0004","13.4965","0.0002","90","","91.037","0.001","90","","4083.83","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H44 N4 O2 -","- C51 H44 N4 O2 -","- C204 H176 N16 O8 -","4","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.0714","0.0584","","","0.2085","0.2225","","","","","","0.925","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027528","12.5499","0.0007","29.401","0.0015","12.8567","0.0007","90","","92.946","0.005","90","","4737.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Cl6 N4 O3 -","- C52 H44 Cl6 N4 O3 -","- C208 H176 Cl24 N16 O12 -","4","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.1874","0.0595","","","0.1314","0.1648","","","","","","0.732","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027529","12.92","0.02","6.86","0.02","15.68","0.03","90","","95.1","0.2","90","","1384","5","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido","Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction","Journal of Organic Chemistry","2012","77","","8231","8243","10.1021/jo3016055","","","0.7107","MoKα","","","0.04","","","","0.1","","","","","","0.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027530","6.527","0.003","22.527","0.009","9.912","0.004","90","","105.66","0.03","90","","1403.3","1","173.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido","Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction","Journal of Organic Chemistry","2012","77","","8231","8243","10.1021/jo3016055","","","0.7107","MoKα","","","0.047","","","","0.088","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027531","10.1517","0.0006","14.9384","0.0008","24.3639","0.0014","90","","98.064","0.001","90","","3658.3","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Br N7 O2 -","- C42 H40 Br N7 O2 -","- C168 H160 Br4 N28 O8 -","4","1","","Kesavapillai Sreenath; Ronald J. Clark; Lei Zhu","Tricolor Emission of a Fluorescent Heteroditopic Ligand over a Concentration Gradient of Zinc(II) Ions","Journal of Organic Chemistry","2012","77","","8268","8279","10.1021/jo3016659","","","0.71073","MoKα","","0.0568","0.0392","","","0.0838","0.0909","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027532","12.0417","0.001","5.465","0.0005","25.3903","0.0017","90","","101.315","0.004","90","","1638.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O8 -","- C17 H18 O8 -","- C68 H72 O32 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","1.54178","CuKα","","0.0492","0.0445","","","0.1191","0.1229","","","","","","1.069","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027533","6.993","0.0014","8.711","0.0017","13.512","0.003","74.66","0.03","75.88","0.03","85.75","0.03","769.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 F N O2 S2 Si -","- C13 H14 F N O2 S2 Si -","- C26 H28 F2 N2 O4 S4 Si2 -","2","1","","Rakesh Kumar; Barbara Zajc","Stereoselective Synthesis of Conjugated Fluoro Enynes","Journal of Organic Chemistry","2012","77","","8417","8427","10.1021/jo300971w","","","0.71073","MoKα","","0.0706","0.0487","","","0.1109","0.1215","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027534","13.3608","0.0008","11.5312","0.0007","14.2727","0.0009","90","","113.297","0.001","90","","2019.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CE-OH.H2O","","","- C22 H26 O8 -","- C22 H26 O8 -","- C88 H104 O32 -","4","1","","Prem N. Basa; Andrew G. Sykes","Differential Sensing of Zn(II) and Cu(II) via Two Independent Mechanisms","Journal of Organic Chemistry","2012","77","","8428","8434","10.1021/jo301193n","","","0.71073","MoKα","","0.0737","0.044","","","0.0994","0.1148","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027535","10.3937","0.0013","10.5073","0.0013","25.914","0.003","90","","90","","90","","2830.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O9 -","- C30 H37 N O9 -","- C120 H148 N4 O36 -","4","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.1954","0.0603","","","0.1795","0.2478","","","","","","1.175","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027536","10.8975","0.0004","18.7065","0.0008","11.7408","0.0005","90","","92.968","0.003","90","","2390.2","0.17","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","2","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.096","0.0482","","","0.1253","0.187","","","","","","0.99","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027537","6.9969","0.0017","11.484","0.003","27.382","0.007","90","","90","","90","","2200.2","1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C92 H112 O32 -","4","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","0.71073","MoKα","","0.0511","0.0438","","","0.0906","0.0944","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027538","10.068","0.003","9.308","0.002","11.584","0.003","90","","108.829","0.01","90","","1027.5","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C44 H48 O14 -","2","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.1246","0.0714","","","0.2309","0.2943","","","","","","1.156","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027539","7.4004","0.0002","13.9268","0.0003","17.7637","0.0005","90","","91.185","0.001","90","","1830.4","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1078","0.0675","","","0.1778","0.2044","","","","","","1.039","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027540","9.4871","0.0004","16.6809","0.0007","14.2027","0.0008","90","","103.861","0.002","90","","2182.17","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1308","0.0708","","","0.1807","0.2193","","","","","","1.028","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027541","9.9265","0.0003","13.7635","0.0005","16.0077","0.0006","90","","101.314","0.002","90","","2144.53","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.0753","0.0471","","","0.1147","0.137","","","","","","0.84","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027542","6.4451","0.0002","26.2633","0.0011","9.9175","0.0005","90","","99.505","0.002","90","","1655.68","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1613","0.0642","","","0.1493","0.2046","","","","","","0.953","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027543","5.4838","0.0008","9.3179","0.0016","15.686","0.002","90.263","0.009","94.18","0.008","103.759","0.009","776.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","1","0.5","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54178","CuKα","","0.0974","0.0821","","","0.196","0.2032","","","","","","1.1","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027544","15.0414","0.0006","8.2503","0.0003","33.904","0.0012","90","","90","","90","","4207.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H48 N4 S6 -","- C46 H48 N4 S6 -","- C184 H192 N16 S24 -","4","0.5","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54178","CuKα","","0.0748","0.0652","","","0.1622","0.1701","","","","","","1.078","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027545","10.17209","0.00014","18.426","0.0003","18.4308","0.0003","90","","90.2749","0.0013","90","","3454.46","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 N4 O8 S4 -","- C32 H36 N4 O8 S4 -","- C128 H144 N16 O32 S16 -","4","2","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54184","CuKα","","0.0637","0.0609","","","0.1534","0.156","","","","","","1.058","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027546","4.9134","0.0006","7.2588","0.0008","11.1904","0.0012","93.4364","0.0014","92.2282","0.0014","95.7291","0.0014","396","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-iodophenylboronic acid","","- C6 H6 B I O2 -","- C6 H6 B I O2 -","- C12 H12 B2 I2 O4 -","2","1","","Nicolas Gernigon; Raed M. Al-Zoubi; Dennis G. Hall","Direct Amidation of Carboxylic Acids Catalyzed byortho-Iodo Arylboronic Acids: Catalyst Optimization, Scope, and Preliminary Mechanistic Study Supporting a Peculiar Halogen Acceleration Effect","Journal of Organic Chemistry","2012","77","","8386","8400","10.1021/jo3013258","","","0.71073","MoKα","","0.0263","0.0257","","","0.0662","0.0667","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027547","8.6065","0.0002","14.1372","0.0006","21.6104","0.0009","90","","90","","90","","2629.38","0.17","298","","298","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 F2 N O4 Si2 -","- C20 H39 F2 N O4 Si2 -","- C80 H156 F8 N4 O16 Si8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.1003","0.0888","","","0.2369","0.2518","","","","","","1.068","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027548","9.943","0.0002","12.3857","0.0004","21.2265","0.0007","90","","90","","90","","2614.07","0.13","298","","298","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 F2 N O4 Si2 -","- C21 H41 F2 N O4 Si2 -","- C84 H164 F8 N4 O16 Si8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0682","0.0482","","","0.1034","0.1164","","","","","","1.044","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027549","6.1397","0.0001","10.0767","0.0003","31.8096","0.0011","90","","90","","90","","1967.99","0.1","298","","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F2 N O4 -","- C22 H23 F2 N O4 -","- C88 H92 F8 N4 O16 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0682","0.053","","","0.1297","0.141","","","","","","1.049","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027550","6.4369","0.0002","10.2183","0.0002","21.4391","0.0007","90","","90","","90","","1410.14","0.07","298","","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 F2 N O2 -","- C13 H23 F2 N O2 -","- C52 H92 F8 N4 O8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0509","0.0449","","","0.1229","0.1292","","","","","","1.054","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027551","11.898","0.002","8.131","0.0006","12.412","0.002","90","","114.293","0.004","90","","1094.4","0.3","298","2","298","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C23 H25 F2 N O4 -","- C23 H25 F2 N O4 -","- C46 H50 F4 N2 O8 -","2","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","","0.71073","MoKα","","0.097","0.0553","","","0.1265","0.1508","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027552","9.9052","0.0002","10.4099","0.0003","15.6229","0.0004","90","","100.067","0.002","90","","1586.11","0.07","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","","Krishnendu Bera; Soumen Sarkar; Swapnadeep Jalal; Umasish Jana","Synthesis of Substituted Phenanthrene by Iron(III)-Catalyzed Intramolecular Alkyne-Carbonyl Metathesis","Journal of Organic Chemistry","2012","77","","8780","8786","10.1021/jo301371n","","","0.71073","MoKα","","0.0697","0.0499","","","0.1362","0.1502","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027553","11.3522","0.0002","12.9233","0.0003","9.3901","0.0001","90","","90","","90","","1377.6","0.04","200","","200","","","","","","","","local","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 F5 N O4 -","- C12 H10 F5 N O4 -","- C48 H40 F20 N4 O16 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0372","0.0325","","0.0829","0.08","0.0829","","","","","","1.0015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027554","8.2952","0.0002","11.0345","0.0003","17.188","0.0004","90","","103.883","0.0014","90","","1527.31","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C60 H60 N4 O20 S4 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.049","0.0334","","0.0884","0.0846","0.0884","","","","","","0.9237","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027555","13.2294","0.0003","5.3122","0.0001","25.1873","0.0005","90","","97.6851","0.0013","90","","1754.19","0.06","200","","200","","","","","","","","local","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl3 N O3 -","- C17 H16 Cl3 N O3 -","- C68 H64 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0525","0.0404","","0.1058","0.1004","0.1058","","","","","","0.9907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027556","10.5574","0.0001","11.1904","0.0002","12.0818","0.0002","90","","104.971","0.0009","90","","1378.91","0.04","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl3 N O3 -","- C11 H12 Cl3 N O3 -","- C44 H48 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0341","0.0317","","0.0801","0.0783","0.0801","","","","","","1.0021","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027557","9.7962","0.0004","10.5984","0.0003","13.7503","0.0005","90","","90.062","0.002","90","","1427.61","0.09","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 Cl3 N O3 -","- C12 H14 Cl3 N O3 -","- C48 H56 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.047","0.0337","","0.084","0.0772","0.084","","","","","","1.0001","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027558","6.5153","0.0001","9.6632","0.0003","11.5125","0.0004","88.8571","0.0015","77.467","0.002","85.8","0.002","705.63","0.04","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C11 H12 Cl3 N O3 -","- C11 H12 Cl3 N O3 -","- C22 H24 Cl6 N2 O6 -","2","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0412","0.0359","","0.0932","0.0897","0.0932","","","","","","0.9934","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027559","8.3539","0.0013","9.2782","0.0014","13.883","0.002","101.664","0.002","90.914","0.002","115.71","0.002","942.9","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S -","- C10 H8 N2 O S -","- C40 H32 N8 O4 S4 -","4","2","","Yongmei Zhao; Yanmiao Wu; Jiong Jia; Dongju Zhang; Chen Ma","One-Pot Synthesis of Benzo[1,4]thiazin-3(4H)-ones and a Theoretical Study of the S-N Type Smiles Rearrangement Mechanism","Journal of Organic Chemistry","2012","77","","8501","8506","10.1021/jo3014287","","","0.71073","MoKα","","0.0544","0.0381","","","0.0989","0.1099","","","","","","1.017","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027560","12.7506","0.001","9.9723","0.0008","13.5743","0.0011","90","","116.398","0.001","90","","1546","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F6 N2 -","- C17 H14 F6 N2 -","- C68 H56 F24 N8 -","4","1","","Artur K. Mailyan; Alexander S. Peregudov; Pierre H. Dixneuf; Christian Bruneau; Sergey N. Osipov","Cyclobutene Ring-Opening of Bicyclo[4.2.0]octa-1,6-dienes: Access to CF3-Substituted 5,6,7,8-Tetrahydro-1,7-naphthyridines","Journal of Organic Chemistry","2012","77","","8518","8526","10.1021/jo301501r","","","0.71073","MoKα","","0.0564","0.0482","","","0.1339","0.1432","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027561","10.116","0.005","11.267","0.006","16.714","0.004","90","","90","","90","","1905","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N O5 -","- C23 H16 Cl N O5 -","- C92 H64 Cl4 N4 O20 -","4","1","","Sumit K. Ray; Pradeep K. Singh; Nagaraju Molleti; Vinod K. Singh","Enantioselective Synthesis of Coumarin Derivatives by PYBOX-DIPH-Zn(II) Complex Catalyzed Michael Reaction","Journal of Organic Chemistry","2012","77","","8802","8808","10.1021/jo301513x","","","0.71069","MoKα","","0.0633","0.0486","","","0.0986","0.1098","","","","","","1.077","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027562","11.789","0.001","5.3518","0.0005","30.328","0.003","90","","95.048","0.008","90","","1906","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C108 H76 N4 O8 -","4","1","","Trapti Aggarwal; Sonu Kumar; Devendra K. Dhaked; Rakesh K. Tiwari; Prasad V. Bharatam; Akhilesh K. Verma","Site-Selective Electrophilic Cyclization and Subsequent Ring-Opening: A Synthetic Route to Pyrrolo[1,2-a]quinolines and Indolizines","Journal of Organic Chemistry","2012","77","","8562","8573","10.1021/jo3015374","","","0.71073","MoKα","","0.071","0.0532","","","0.1211","0.1282","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027563","30.5692","0.0016","7.513","0.0003","17.2889","0.0008","90","","90.341","0.004","90","","3970.6","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 I N O3 -","- C24 H18 I N O3 -","- C192 H144 I8 N8 O24 -","8","1","","Trapti Aggarwal; Sonu Kumar; Devendra K. Dhaked; Rakesh K. Tiwari; Prasad V. Bharatam; Akhilesh K. Verma","Site-Selective Electrophilic Cyclization and Subsequent Ring-Opening: A Synthetic Route to Pyrrolo[1,2-a]quinolines and Indolizines","Journal of Organic Chemistry","2012","77","","8562","8573","10.1021/jo3015374","","","0.71073","MoKα","","0.0222","0.0195","","","0.0497","0.0505","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027564","13.2473","0.0003","11.0985","0.0002","30.004","0.0007","90","","90","","90","","4411.34","0.16","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Benjamin J. Pollock; Christos A. Sikes; Ryan P. Ter Louw; Scott R. Hawken; Amy L. Speelman; Eugene J. Lynch; Daniel J. Stanford; Kraig A. Wheeler; Jason G. Gillmore","Synthesis and Structural Investigation of an ""Oxazinoquinolinespirohexadienone"" That Only Exists as Its Long-Wavelength Ring-Opened Quinonimine Isomer","Journal of Organic Chemistry","2012","77","","8689","8695","10.1021/jo3016083","","","1.54178","CuKα","","0.1119","0.0538","","","0.1113","0.1354","","","","","","1.006","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027565","8.2964","0.0002","11.3994","0.0003","9.5886","0.0003","90","","90.87","0.001","90","","906.73","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Benjamin J. Pollock; Christos A. Sikes; Ryan P. Ter Louw; Scott R. Hawken; Amy L. Speelman; Eugene J. Lynch; Daniel J. Stanford; Kraig A. Wheeler; Jason G. Gillmore","Synthesis and Structural Investigation of an ""Oxazinoquinolinespirohexadienone"" That Only Exists as Its Long-Wavelength Ring-Opened Quinonimine Isomer","Journal of Organic Chemistry","2012","77","","8689","8695","10.1021/jo3016083","","","1.54178","CuKα","","0.0373","0.0345","","","0.0942","0.0967","","","","","","1.05","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027566","6.579","0.002","8.691","0.003","12.535","0.005","90","","97.438","0.007","90","","710.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Adán B. González-Pérez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","Mechanistic and Sterochemical Insights on the Pt-Catalyzed Rearrangement of Oxiranylpropargylic Esters to Cyclopentenones","Journal of Organic Chemistry","2012","77","","8733","8743","10.1021/jo301651r","","","0.71073","MoKα","","0.0763","0.0441","","","0.105","0.1258","","","","","","1.022","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027567","12.2137","0.0013","6.9492","0.0008","37.007","0.004","90","","96.598","0.002","90","","3120.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","2","","Adán B. González-Pérez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","Mechanistic and Sterochemical Insights on the Pt-Catalyzed Rearrangement of Oxiranylpropargylic Esters to Cyclopentenones","Journal of Organic Chemistry","2012","77","","8733","8743","10.1021/jo301651r","","","0.71073","MoKα","","0.1013","0.0457","","","0.1105","0.1486","","","","","","1.02","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027568","28.679","0.002","5.3909","0.0004","21.5262","0.0016","90","","106.523","0.002","90","","3190.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 F O -","- C19 H21 F O -","- C152 H168 F8 O8 -","8","1","","Xiaowei Lin; Feng Zheng; Feng-Ling Qing","Regio- and Diastereoselective Nickel-Catalyzed Allylation of Aromatic Aldehydes with α-Halo-β,β-difluoropropene Derivatives","Journal of Organic Chemistry","2012","77","","8696","8704","10.1021/jo301688d","","","0.71073","MoKα","","0.0562","0.0463","","","0.1205","0.1292","","","","","","1.037","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027569","15.587","0.002","6.0979","0.0008","11.5256","0.0015","90","","103.146","0.002","90","","1066.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N2 O6 P2 -","- C18 H30 N2 O6 P2 -","- C36 H60 N4 O12 P4 -","2","0.5","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0431","0.0385","","","0.099","0.1021","","","","","","1.077","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027570","22.0358","0.0019","6.0237","0.0005","24.783","0.002","90","","90","","90","","3289.6","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0876","0.0802","","","0.1989","0.205","","","","","","1.168","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027571","5.5991","0.0008","10.837","0.0015","13.4812","0.0018","104.942","0.012","99.962","0.011","96.168","0.011","768.43","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 N O5 P -","- C13 H22 N O5 P -","- C26 H44 N2 O10 P2 -","2","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0691","0.0483","","","0.1229","0.1337","","","","","","1.081","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027572","8.0841","0.0011","6.8413","0.0009","20.348","0.003","90","","103.655","0.005","90","","1093.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0787","0.0548","","","0.1325","0.1447","","","","","","1.058","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027573","11.605","0.003","20.308","0.005","10.711","0.003","90","","106.598","0.005","90","","2419.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O2 -","- C31 H27 N O2 -","- C124 H108 N4 O8 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.2527","0.1027","","","0.1558","0.1973","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027574","26.308","0.004","7.3631","0.0012","18.361","0.003","90","","127.008","0.002","90","","2840.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","anti-36","","","- C16 H13 F5 O2 -","- C16 H13 F5 O2 -","- C128 H104 F40 O16 -","8","1","","Peng Zhang; Christian Wolf","Synthesis of Pentafluorinated β-Hydroxy Ketones","Journal of Organic Chemistry","2012","77","","8840","8844","10.1021/jo3017583","","","0.71073","MoKα","","0.0406","0.034","","","0.084","0.0882","","","","","","1.122","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027575","10.6771","0.0002","10.6771","0.0002","21.568","0.0008","90","","90","","90","","2458.76","0.11","293","2","293","2","","","","","","","synthesis as described","3","P 41","P 4w","76","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","","Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams","Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide","Journal of Organic Chemistry","2012","77","","8913","8921","10.1021/jo301182f","","x-ray","1.5418","CuKα","","0.0415","0.0337","","","0.0838","0.0866","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027576","8.0272","0.0004","25.3773","0.0012","9.6448","0.0004","90","","91.76","","90","","1963.8","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H25 Br N O2.5 -","- C19 H25 Br N O2.5 -","- C76 H100 Br4 N4 O10 -","4","2","","Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams","Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide","Journal of Organic Chemistry","2012","77","","8913","8921","10.1021/jo301182f","","x-ray","0.71073","MoKα","","0.135","0.0402","","","0.0631","0.0722","","","","","","0.702","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027577","16.43","0.002","5.3391","0.0008","21.585","0.003","90","","107.66","0.002","90","","1804.2","0.4","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","0.71073","MoKα","","0.0455","0.0379","","","0.0965","0.1025","","","","","","1.038","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027578","8.032","0.004","13.461","0.006","16.37","0.008","90","","90","","90","","1769.9","1.5","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 O5 -","- C20 H27 O5 -","- C80 H108 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.1025","0.0501","","","0.0779","0.0892","","","","","","1.005","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027579","12.689","0.007","12.547","0.007","11.914","0.007","90","","114.756","0.019","90","","1722.5","1.7","383","2","383","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.2899","0.0591","","","0.0681","0.1262","","","","","","1.007","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027580","7.1136","0.0009","10.69","0.0013","12.643","0.0016","88.659","0.009","86.896","0.009","70.776","0.009","906.5","0.2","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.0521","0.0406","","","0.1015","0.1062","","","","","","1.05","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027581","8.1672","0.0009","12.5208","0.0019","12.8466","0.0018","62.988","0.004","87.794","0.005","89.783","0.005","1169.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H17 Cl3 N2 O -","- C28 H17 Cl3 N2 O -","- C56 H34 Cl6 N4 O2 -","2","1","","Marco Santella; Virginia Mazzanti; Martyn Jevric; Christian Richard Parker; Søren Lindbaek Broman; Andrew D. Bond; Mogens Brøndsted Nielsen","Dihydroazulene-Buckminsterfullerene Conjugates","Journal of Organic Chemistry","2012","77","","8922","8932","10.1021/jo301306y","","","0.71073","MoKα","","0.0781","0.0458","","","0.0986","0.1121","","","","","","1.017","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027582","15.7913","0.0015","10.545","0.0011","16.6502","0.0017","90","","90.77","0.006","90","","2772.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MJ03","","","- C96 H22 I2 N4 -","- C96 H22 I2 N4 -","- C192 H44 I4 N8 -","2","0.5","","Marco Santella; Virginia Mazzanti; Martyn Jevric; Christian Richard Parker; Søren Lindbaek Broman; Andrew D. Bond; Mogens Brøndsted Nielsen","Dihydroazulene-Buckminsterfullerene Conjugates","Journal of Organic Chemistry","2012","77","","8922","8932","10.1021/jo301306y","","","0.71073","MoKα","","0.1036","0.0613","","","0.13","0.1453","","","","","","1.042","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027583","12.495","0.004","11.278","0.003","18.337","0.005","90","","99.091","0.006","90","","2551.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl3 N3 O2 -","- C28 H22 Cl3 N3 O2 -","- C112 H88 Cl12 N12 O8 -","4","1","","Ming Li; Peng Shao; Shu-Wen Wang; Wei Kong; Li-Rong Wen","Four-Component Cascade Heteroannulation of Heterocyclic Ketene Aminals: Synthesis of Functionalized Tetrahydroimidazo[1,2-a]pyridine Derivatives","Journal of Organic Chemistry","2012","77","","8956","8967","10.1021/jo3013836","","","0.71073","MoKα","","0.1439","0.1141","","","0.1456","0.155","","","","","","1.286","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027584","8.852","0.005","7.722","0.005","26.705","0.005","90","0.005","93.784","0.005","90","0.005","1821.4","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(thiophene-2-yl)-4-p-tolylnaphtho[2,3-b]thiophene","","- C21 H15 S2 -","- C23 H16 S2 -","- C92 H64 S8 -","4","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.0692","0.0388","","","0.0921","0.1103","","","","","","1.009","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027585","11.7061","0.0006","28.9651","0.0012","8.9072","0.0004","90","","90","","90","","3020.1","0.2","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","6-(thiophen-2-yl)benzo[b]naphtha[2,3-d]thiophene","","- C20 H12 S2 -","- C20 H12 S2 -","- C160 H96 S16 -","8","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.0666","0.0368","","","0.0877","0.1029","","","","","","1.04","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027586","9.0328","0.0006","10.9285","0.0008","11.0232","0.0008","105.619","0.004","95.63","0.004","111.055","0.004","954.75","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","7-phenylanthra[2,3-d]benzo[b]thiophene","","- C26 H16 S -","- C26 H16 S -","- C52 H32 S2 -","2","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.119","0.1067","","","0.3673","0.3877","","","","","","1.747","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027587","10.735","0.006","16.83","0.008","19.618","0.009","90","","95.45","0.02","90","","3528","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Se6 -","- C30 H54 Se6 -","- C120 H216 Se24 -","4","1","","Dayna L. Turner; Thomas P. Vaid","Synthesis of Protected Benzenepolyselenols","Journal of Organic Chemistry","2012","77","","9397","9400","10.1021/jo301447h","","","0.71073","MoKα","","0.1263","0.0702","","","","0.2174","","","","","","0.992","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027588","10.6088","0.0009","11.2696","0.0012","15.5586","0.0015","70.237","0.008","85.636","0.007","77.221","0.007","1707.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N3 O10 -","- C36 H38 N3 O10 -","- C72 H76 N6 O20 -","2","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.0651","0.0396","","","0.0803","0.0838","","","","","","1.04","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027589","18.019","0.004","15.495","0.003","23.592","0.005","90","","90","","90","","6587","2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl N3 O10 -","- C32 H34 Cl N3 O10 -","- C256 H272 Cl8 N24 O80 -","8","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.1753","0.1529","","","0.3297","0.338","","","","","","1.111","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027590","12.4645","0.0013","14.0496","0.001","18.536","0.002","90","","104.63","0.008","90","","3140.8","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 N3 O10 -","- C32 H35 N3 O10 -","- C128 H140 N12 O40 -","4","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.0984","0.0479","","","0.097","0.1029","","","","","","0.967","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027591","11.759","0.002","13.661","0.003","13.815","0.003","73.33","0.03","67.47","0.03","83.35","0.03","1963.7","0.9","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","cyclo(Leu-D-Leu-Aib)2","","","- C33 H62 N6 O7 -","- C33 H62 N6 O7 -","- C66 H124 N12 O14 -","2","2","","Yosuke Demizu; Saori Nagoya; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Masaaki Kurihara","Twisted Structure of a Cyclic Hexapeptide Containing a Combination of Alternating l-Leu-d-Leu-Aib Segments","Journal of Organic Chemistry","2012","77","","9361","9365","10.1021/jo301509c","","","0.71073","MoKα","","0.0919","0.0774","","","0.2134","0.2288","","","","","","1.022","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027592","8.073","0.007","17.079","0.014","18.725","0.015","90","","90","","90","","2582","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O S Si -","- C26 H33 N3 O S Si -","- C104 H132 N12 O4 S4 Si4 -","4","1","","Yu Peng; Yu-Man Dong; Ming Dong; Ya-Wen Wang","A Selective, Sensitive, Colorimetric, and Fluorescence Probe for Relay Recognition of Fluoride and Cu(II) Ions with ""Off-On-Off"" Switching in Ethanol-Water Solution","Journal of Organic Chemistry","2012","77","","9072","9080","10.1021/jo301548v","","","0.71073","MoKα","","0.1054","0.0772","","","0.1852","0.2119","","","","","","1.035","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027593","14.6652","0.0005","14.6652","0.0005","7.5699","0.0003","90","","90","","90","","1628.04","0.1","173.1","","173.1","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H44 Cu4 I4 N4 -","- C20 H44 Cu4 I4 N4 -","- C40 H88 Cu8 I8 N8 -","2","0.25","","Mingwen Zhu; Ken-ichi Fujita; Ryohei Yamaguchi","Aerobic Oxidative Amidation of Aromatic and Cinnamic Aldehydes with Secondary Amines by CuI/2-Pyridonate Catalytic System","Journal of Organic Chemistry","2012","77","","9102","9109","10.1021/jo301553v","","","0.71075","MoKα","","","0.032","","","","0.0337","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027594","16.1631","0.0003","17.2094","0.0004","18.0568","0.0003","90","","106.224","0.002","90","","4822.61","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H59.5 N6 O6 Pd -","- C51.5 H59.5 N6 O6 Pd -","- C206 H238 N24 O24 Pd4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.7107","MoKα","","0.069","0.0465","","","0.1416","0.1468","","","","","","1.223","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027595","6.8234","0.0002","9.2369","0.0002","9.4964","0.0002","80.708","0.001","74.517","0.001","79.485","0.001","563.09","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C30 H24 N4 O2 -","2","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0515","0.0424","","","0.1076","0.1145","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027596","7.8322","0.0002","17.051","0.0004","9.8396","0.0002","90","","111.932","0.001","90","","1218.95","0.05","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0807","0.0467","","","0.1102","0.1253","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027597","7.094","0.0003","10.3688","0.0004","16.6945","0.0008","90","","90","","90","","1227.99","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0475","0.0368","","","0.0825","0.0868","","","","","","1.306","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027598","10.3353","0.0002","19.1288","0.0004","7.0464","0.0001","90","","97.652","0.001","90","","1380.68","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0599","0.048","","","0.1264","0.1336","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027599","7.2403","0.0015","9.903","0.002","17.387","0.004","90","","90","","90","","1246.7","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0866","0.0435","","","0.1029","0.1234","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027600","8.7269","0.0011","19.5851","0.0017","10.0288","0.0006","90","","101.028","0.008","90","","1682.4","0.3","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Mikhail V. Varaksin; Irina A. Utepova; Oleg N. Chupakhin; Valery N. Charushin","Palladium(II)-Catalyzed Oxidative C-H/C-H Coupling and Eliminative SNH Reactions in Direct Functionalization of Imidazole Oxides with Indoles","Journal of Organic Chemistry","2012","77","","9087","9093","10.1021/jo301618b","","","0.71073","MoKα","","0.102","0.0325","","","0.0365","0.039","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027601","7.0534","0.0007","9.6657","0.001","13.8868","0.0014","84.001","0.008","77.75","0.009","74.099","0.009","888.71","0.16","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Mikhail V. Varaksin; Irina A. Utepova; Oleg N. Chupakhin; Valery N. Charushin","Palladium(II)-Catalyzed Oxidative C-H/C-H Coupling and Eliminative SNH Reactions in Direct Functionalization of Imidazole Oxides with Indoles","Journal of Organic Chemistry","2012","77","","9087","9093","10.1021/jo301618b","","","0.71073","MoKα","","0.1356","0.0403","","","0.0652","0.072","","","","","","1","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027602","15.7466","0.0017","15.9485","0.0018","8.156","0.001","90","","90","","90","","2048.3","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C112 H96 N8 -","4","1","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0411","0.0398","","","0.0914","0.092","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027603","12.5742","0.0014","10.484","0.0011","14.8433","0.0015","90","0.001","96.8734","0.001","90","0.001","1942.7","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H56 N2 -","- C46 H56 N2 -","- C92 H112 N4 -","2","1","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0593","0.0555","","","0.127","0.1292","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027604","11.3501","0.0009","10.9536","0.0008","15.5409","0.0013","90","0.001","97.3418","0.0011","90","0.001","1916.3","0.3","153","2","153","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C46 H58 N2 -","- C46 H58 N2 -","- C92 H116 N4 -","2","0.5","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0558","0.0538","","","0.1337","0.1354","","","","","","1.122","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027605","9.0364","0.0004","9.0364","0.0004","14.7769","0.0009","90","","90","","90","","1206.63","0.11","293","2","293.15","","","","","","","","","6","P 41","P 4w","76","","","","- C13 H11 F N O S -","- C13 H10 F N O S -","- C52 H40 F4 N4 O4 S4 -","4","1","","Jun Li; Yunfei Cai; Weiliang Chen; Xiaohua Liu; Lili Lin; Xiaoming Feng","Highly Enantioselective Fluorination of Unprotected 3-Substituted Oxindoles: One-Step Synthesis of BMS 204352 (MaxiPost)","Journal of Organic Chemistry","2012","77","","9148","9155","10.1021/jo301705t","","","0.7107","MoKα","","0.0638","0.0475","","","0.1087","0.1229","","","","","","1.067","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027606","9.689","0.006","10.771","0.007","10.909","0.007","83.523","0.006","72.003","0.006","72.64","0.006","1033.2","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H21 N -","- C29 H21 N -","- C58 H42 N2 -","2","1","","Xiao-Feng Xia; Ning Wang; Lu-Lu Zhang; Xian-Rong Song; Xue-Yuan Liu; Yong-Min Liang","Palladium(II)-Catalyzed Tandem Cyclization/C-H Functionalization of Alkynes for the Synthesis of Functionalized Indoles","Journal of Organic Chemistry","2012","77","","9163","9170","10.1021/jo301741j","","","0.71073","MoKα","","0.0918","0.0508","","","0.1091","0.1271","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027607","16.843","0.008","18.307","0.009","11.541","0.006","90","","105.894","0.005","90","","3423","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 F N -","- C24 H18 F N -","- C192 H144 F8 N8 -","8","1","","Xiao-Feng Xia; Ning Wang; Lu-Lu Zhang; Xian-Rong Song; Xue-Yuan Liu; Yong-Min Liang","Palladium(II)-Catalyzed Tandem Cyclization/C-H Functionalization of Alkynes for the Synthesis of Functionalized Indoles","Journal of Organic Chemistry","2012","77","","9163","9170","10.1021/jo301741j","","","0.71073","MoKα","","0.0887","0.0427","","","0.0962","0.127","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027608","10.68236","0.00019","3.83987","0.00007","12.9514","0.0002","90","","111.159","0.001","90","","495.436","0.015","95","2","95","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","FT-TF","5,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C24 H12 O4 S4 -","2","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0317","0.0311","","","0.0868","0.0873","","","","","","1.066","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027609","10.3846","0.0002","20.5813","0.0004","4.71636","0.0001","90","","90","","90","","1008.02","0.03","95","2","95","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","TF-TF","2,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","1","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0581","0.0384","","","0.0706","0.101","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027610","10.22625","0.0001","5.79315","0.0001","16.6887","0.0003","90","","90","","90","","988.68","0.03","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TF-FT","2,2'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0315","0.0299","","","0.0793","0.0806","","","","","","1.128","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027611","9.2917","0.001","18.442","0.002","19.455","0.002","90","","94.085","0.004","90","","3325.3","0.6","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 O7 -","- C15 H20 O7 -","- C120 H160 O56 -","8","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0625","0.0495","","","0.1361","0.1502","","","","","","0.986","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027612","7.8514","0.0009","10.0365","0.0011","17.1","0.002","90","","92.832","0.004","90","","1345.8","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O7 -","- C12 H16 O7 -","- C48 H64 O28 -","4","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0535","0.0416","","","0.1224","0.1404","","","","","","1.012","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027613","9.2928","0.0013","9.495","0.0015","10.1967","0.0017","92.191","0.005","116.979","0.005","111.629","0.005","722.1","0.2","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0727","0.0535","","","0.1248","0.1358","","","","","","1.151","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027614","8.1652","0.0006","12.6259","0.0009","14.254","0.0011","90","","90","","90","","1469.49","0.19","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C52 H72 O28 -","4","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0387","0.0326","","","0.0807","0.0851","","","","","","1.031","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027615","22.2814","0.0005","22.3082","0.0005","23.4074","0.0005","89.896","0.002","74.785","0.002","88.907","0.002","11224.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 Cl6 O11 -","- C52 H56 Cl6 O11 -","- C416 H448 Cl48 O88 -","8","4","","Luzhi Liu; Lingyun Wang; Changchun Liu; Zhiyong Fu; Herbert Meier; Derong Cao","Dimerization Control in the Self-Assembly Behavior of Copillar[5]arenes Bearing ω-Hydroxyalkoxy Groups","Journal of Organic Chemistry","2012","77","","9413","9417","10.1021/jo301779y","","","1.54178","CuKα","","0.1925","0.1741","","","0.4997","0.5424","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027616","8.139","0.002","18.435","0.005","11.81","0.004","90","","95.955","0.005","90","","1762.4","0.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0828","0.0728","","","0.1576","0.1634","","","","","","1.204","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027617","13.333","0.003","8.0402","0.0016","14.989","0.003","90","","90","","90","","1606.8","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","0.5","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0696","0.0655","","","0.137","0.1393","","","","","","1.212","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027618","8.4399","0.0017","9.5116","0.0019","23.546","0.005","90","","90","","90","","1890.2","0.7","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0499","0.0489","","","0.1241","0.1249","","","","","","1.144","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027619","13.114","0.003","23.968","0.005","9.0151","0.0018","90","","109","0.03","90","","2679.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N3 O5 -","- C29 H31 N3 O5 -","- C116 H124 N12 O20 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.1265","0.1097","","","0.232","0.2412","","","","","","1.271","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027620","12.972","0.003","23.832","0.005","9.0202","0.0018","90","","109.28","0.03","90","","2632.2","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C120 H124 N12 O16 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.1991","0.1419","","","0.234","0.2582","","","","","","1.252","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027621","10.7081","0.0018","11.528","0.003","15.923","0.004","82.572","0.013","71.608","0.011","62.462","0.009","1653.5","0.7","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 O P -","- C22 H15 O P -","- C88 H60 O4 P4 -","4","2","","Yoichiro Kuninobu; Takuya Yoshida; Kazuhiko Takai","Correction to Palladium-Catalyzed Synthesis of Dibenzophosphole Oxides via Intramolecular Dehydrogenative Cyclization","Journal of Organic Chemistry","2012","77","","9436","9436","10.1021/jo3021506","","","0.71075","MoKα","","","0.0549","","","","0.1479","","","","","","1.112","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027622","12.0996","0.0005","13.4499","0.0004","14.127","0.0006","90","","110.834","0.005","90","","2148.68","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N -","- C30 H21 N -","- C120 H84 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0694","0.044","","","0.1018","0.1174","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027623","6.8494","0.0003","12.5402","0.0004","12.5449","0.0005","90","","96.212","0.004","90","","1071.19","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H23 N -","- C30 H23 N -","- C60 H46 N2 -","2","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.046","0.0377","","","0.0818","0.088","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027624","17.6833","0.001","8.4181","0.0004","18.4664","0.0009","90","","101.609","0.005","90","","2692.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N -","- C37 H27 N -","- C148 H108 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0797","0.0473","","","0.1086","0.1263","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027625","8.7794","0.0003","14.9065","0.0006","16.4959","0.0007","75.161","0.003","75.409","0.003","88.174","0.003","2018.29","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 I N2 O2 -","- C24 H15 I N2 O2 -","- C96 H60 I4 N8 O8 -","4","2","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0548","0.043","","","0.1052","0.1117","","","","","","1.073","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027626","12.2313","0.0008","15.1198","0.0008","10.5013","0.0006","90","","96.38","0.006","90","","1930","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N -","- C26 H23 N -","- C104 H92 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0722","0.046","","","0.1137","0.1304","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027627","16.0637","0.0006","9.4505","0.0003","14.8945","0.0005","90","","100.187","0.003","90","","2225.49","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N -","- C31 H23 N -","- C124 H92 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.063","0.0409","","","0.0946","0.1096","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027628","9.7999","0.0003","15.8866","0.0006","15.9762","0.0006","90","","101.335","0.004","90","","2438.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 I N O -","- C31 H22 I N O -","- C124 H88 I4 N4 O4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0465","0.0322","","","0.07","0.0771","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027629","8.6864","0.0005","17.6725","0.0012","20.2622","0.0013","90","","90","","90","","3110.5","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Diego Núñez-Villanueva; Lourdes Infantes; M. Teresa García-López; Rosario González-Muñiz; Mercedes Martín-Martínez","Azepane Quaternary Amino Acids As Effective Inducers of 310Helix Conformations","Journal of Organic Chemistry","2012","77","","9833","9839","10.1021/jo301379r","","","1.5418","CuKα","","0.0535","0.0523","","","0.1417","0.1433","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027630","10.4087","0.0004","11.763","0.0003","22.0902","0.0007","90","","90","","90","","2704.67","0.15","292","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O Se -","- C15 H11 F2 N O Se -","- C120 H88 F16 N8 O8 Se8 -","8","2","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0449","0.0312","","","0.0534","0.0563","","","","","","0.939","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027631","9.0384","0.0003","7.883","0.0003","27.4231","0.0011","90","","90","","90","","1953.89","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br O2 -","- C10 H9 Br O2 -","- C80 H72 Br8 O16 -","8","1","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0987","0.0387","","","0.0802","0.0968","","","","","","1.015","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027632","7.256","0.0006","19.1627","0.0017","12.7919","0.0011","90","","96.11","0.002","90","","1768.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Fe O7 -","- C19 H18 Fe O7 -","- C76 H72 Fe4 O28 -","4","1","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0401","0.0335","","","0.0811","0.0848","","","","","","1.033","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027633","12.145","0.003","16.906","0.004","18.104","0.004","68.923","0.004","84.618","0.004","78.411","0.004","3396.8","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H41.5 Fe O7 Si -","- C36.5 H41.5 Fe O7 Si -","- C146 H166 Fe4 O28 Si4 -","4","2","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0846","0.0601","","","0.1413","0.1568","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027634","21.2199","0.0013","10.4053","0.0007","18.6446","0.0012","90","","108.283","0.001","90","","3908.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Fe O7 -","- C20 H22 Fe O7 -","- C160 H176 Fe8 O56 -","8","2","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0525","0.0372","","","0.0859","0.0937","","","","","","1.031","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027635","7.521","0.0003","7.9161","0.0003","12.1346","0.0004","80.898","0.002","72.304","0.002","87.498","0.002","679.6","0.04","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","Pactamycate Ethanol Solvate","","","- C28 H37 N3 O9 -","- C28 H37 N3 O9 -","- C28 H37 N3 O9 -","1","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0326","0.0317","","","0.0841","0.0848","","","","","","1.046","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027636","13.6063","0.0002","9.6562","0.0001","14.2364","0.0003","90","","98.806","0.001","90","","1848.4","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C38 H51 N O6 Si2 -","- C38 H51 N O6 Si2 -","- C76 H102 N2 O12 Si4 -","2","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0322","0.0319","","","0.0794","0.0797","","","","","","1.075","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027637","26.146","0.002","26.146","0.002","9.7191","0.0008","90","","90","","120","","5754","0.8","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 61","P 61","169","","","","- C40 H42 Br N O7 Si -","- C40 H42 Br N O7 Si -","- C240 H252 Br6 N6 O42 Si6 -","6","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1643","0.1036","","","0.2734","0.2959","","","","","","1.086","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027638","29.813","0.004","9.5757","0.0016","11.6715","0.0018","90","","111.443","0.008","90","","3101.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C31 H33 N3 O9 -","- C31 H33 N3 O9 -","- C124 H132 N12 O36 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1183","0.0951","","","0.2455","0.2649","","","","","","1.09","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027639","15.7089","0.0005","9.9523","0.0003","19.9434","0.0007","90","","112.017","0.002","90","","2890.56","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C31 H32 N4 O4 Si -","- C31 H32 N4 O4 Si -","- C124 H128 N16 O16 Si4 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0399","0.0371","","","0.0935","0.0958","","","","","","1.03","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027640","8.8316","0.0003","10.0485","0.0003","36.6755","0.001","90","","90","","90","","3254.74","0.17","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O7 Si -","- C34 H37 N O7 Si -","- C136 H148 N4 O28 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0322","0.0307","","","0.0837","0.0846","","","","","","1.052","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027641","7.0802","0.0001","34.2482","0.0004","7.5495","0.0001","90","","92.706","0.001","90","","1828.59","0.04","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N4 O6 -","- C17 H22 N4 O6 -","- C68 H88 N16 O24 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0374","0.0364","","","0.096","0.097","","","","","","1.033","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027642","17.8975","0.0007","7.3027","0.0003","28.5293","0.0011","90","","103.955","0.002","90","","3618.7","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C33 H38 N4 O5 Si -","- C33 H38 N4 O5 Si -","- C132 H152 N16 O20 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0643","0.0612","","","0.1641","0.1676","","","","","","1.048","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027643","18.9799","0.0018","28.093","0.003","6.3717","0.0006","90","","90","","90","","3397.4","0.6","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 2","P 2 2ab","18","","","","- C32 H32 Br N5 O7 -","- C32 H32 Br N5 O7 -","- C128 H128 Br4 N20 O28 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0689","0.0494","","","0.1128","0.1211","","","","","","0.876","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027644","15.119","0.0019","8.9169","0.0011","40.931","0.004","90","","90.158","0.005","90","","5518.1","1.1","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C43 H49 N5 O7 Si -","- C43 H49 N5 O7 Si -","- C172 H196 N20 O28 Si4 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1431","0.0847","","","0.2097","0.225","","","","","","0.876","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027645","11.312","0.0002","18.9201","0.0003","22.2551","0.0004","90","","90","","90","","4763.13","0.14","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H62 N6 O5 Si -","- C51 H62 N6 O5 Si -","- C204 H248 N24 O20 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0362","0.0343","","","0.0911","0.0924","","","","","","1.024","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027646","6.2487","0.0002","12.2923","0.0004","13.6193","0.0005","113.238","0.002","90.23","0.002","101.336","0.002","938.62","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C41 H48 N6 O6 -","- C41 H48 N6 O6 -","- C41 H48 N6 O6 -","1","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0408","0.0397","","","0.1086","0.1097","","","","","","1.037","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027647","5.6718","0.0002","7.7144","0.0004","8.1495","0.0003","68.847","0.003","80.1","0.003","71.118","0.003","314.04","0.02","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C12 H14 N6 O2 -","2","1","","Borys Ośmiałowski; Erkki Kolehmainen; Satu Ikonen; Arto Valkonen; Adam Kwiatkowski; Izabela Grela; Esa Haapaniemi","2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies","Journal of Organic Chemistry","2012","77","","9609","9619","10.1021/jo301643z","","","0.71073","MoKα","","0.0535","0.0508","","","0.1374","0.1413","","","","","","1.062","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027648","15.5349","0.0005","8.4134","0.0003","10.0678","0.0003","90","","94.753","0.002","90","","1311.35","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C60 H76 N12 O4 -","4","1","","Borys Ośmiałowski; Erkki Kolehmainen; Satu Ikonen; Arto Valkonen; Adam Kwiatkowski; Izabela Grela; Esa Haapaniemi","2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies","Journal of Organic Chemistry","2012","77","","9609","9619","10.1021/jo301643z","","","0.71073","MoKα","","0.0559","0.0421","","","0.1007","0.1093","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027649","10.213","0.002","5.204","0.001","15.962","0.003","90","","100.28","0.03","90","","834.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phaeosphaeride A - RRR Enantiomer","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C30 H46 N2 O10 -","2","1","","Anthoula Chatzimpaloglou; Maria P. Yavropoulou; Karien E. Rooij; Ralf Biedermann; Uwe Mueller; Stefan Kaskel; Vasiliki Sarli","Total Synthesis and Biological Activity of the Proposed Structure of Phaeosphaeride A","Journal of Organic Chemistry","2012","77","","9659","9667","10.1021/jo301662e","","","0.88561","synchrotron","","0.1225","0.0778","","","0.1906","0.2191","","","","","","1.045","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027650","13.6137","0.0003","13.6137","0.0003","30.6199","0.0007","90","","90","","120","","4914.58","0.19","228","2","228","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C29 H44 N6 O7.5 -","- C29 H44 N6 O7.5 -","- C174 H264 N36 O45 -","6","1","","Sujeewa Ranatunga; Chih-Hang Anthony Tang; Chih-Chi Andrew Hu; Juan R. Del Valle","Total Synthesis and Structural Revision of Lucentamycin A","Journal of Organic Chemistry","2012","77","","9859","9864","10.1021/jo301723y","","","1.54178","CuKα","","0.0488","0.0436","","","0.1126","0.1166","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027651","16.16","0.003","22.878","0.005","24.983","0.005","68.42","0.03","79.56","0.02","89.95","0.03","8425","4","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","","","- C166 H246 N2 O14 -","- C166 H246 N2 O14 -","- C332 H492 N4 O28 -","2","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.77491","","","0.1658","0.1603","","","0.3719","0.3766","","","","","","1.204","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027652","12.3541","0.0002","28.8342","0.0006","24.1281","0.0007","90","","96.993","0.002","90","","8531","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84.5 H117 Cl3 N1.25 O15 -","- C84.6 H116.9 Cl3 N1.3 O15 -","- C338.4 H467.6 Cl12 N5.2 O60 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.85","","","0.0841","0.0822","","","0.2254","0.2273","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027653","21.68","0.01","19.1","0.02","24.02","0.01","90","","107.42","0.02","90","","9490","12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C93 H143 F12 N O11 -","- C93 H139.7 F12 N O11 -","- C372 H558.8 F48 N4 O44 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.8","","","0.0894","0.0833","","","0.2342","0.2406","","","","","","1.04","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027654","23.01","","18.23","","22","","90","","90","","90","","9228.39","","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C89.5 H126.5 F6.5 N O17.25 -","- C89.4 H120.6 F6.6 N O17.2 -","- C357.6 H482.4 F26.4 N4 O68.8 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.88561","","","0.0957","0.0837","","","0.2139","0.2271","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027655","9.1808","0.0018","9.5375","0.0019","9.6144","0.0019","92.649","0.003","99.211","0.003","105.921","0.003","795.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Qinghe Gao; Yanping Zhu; Mi Lian; Meicai Liu; Jingjing Yuan; Guodong Yin; Anxin Wu","Unexpected C-C Bond Cleavage: A Route to 3,6-Diarylpyridazines and 6-Arylpyridazin-3-ones from 1,3-Dicarbonyl Compounds and Methyl Ketones","Journal of Organic Chemistry","2012","77","","9865","9870","10.1021/jo301751e","","","0.71073","MoKα","","0.0653","0.0562","","","0.1774","0.1924","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027656","27.691","0.009","5.7527","0.0018","7.609","0.003","90","","103.635","0.005","90","","1177.9","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","0.5","","Qinghe Gao; Yanping Zhu; Mi Lian; Meicai Liu; Jingjing Yuan; Guodong Yin; Anxin Wu","Unexpected C-C Bond Cleavage: A Route to 3,6-Diarylpyridazines and 6-Arylpyridazin-3-ones from 1,3-Dicarbonyl Compounds and Methyl Ketones","Journal of Organic Chemistry","2012","77","","9865","9870","10.1021/jo301751e","","","0.71073","MoKα","","0.058","0.0459","","","0.1065","0.1123","","","","","","1.043","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027657","14.132","0.004","14.31","0.004","15.368","0.004","64.256","0.006","84.342","0.007","64.504","0.006","2511.8","1.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","hexamidemacrocycle dichloroethane solvate","","","- C82 H74 Cl16 N6 O18 S6 -","- C74 H94 Cl7.876 N6 O18 S6 -","- C74 H94 Cl7.876 N6 O18 S6 -","1","0.5","","Thien H. Ngo; Hülya Berndt; Dieter Lentz; Hans-Ulrich Reissig","Linear and Cyclic Amides with a Thiophene Backbone: Ultrasound-Promoted Synthesis and Crystal Structures","Journal of Organic Chemistry","2012","77","","9676","9683","10.1021/jo3017605","","","0.71073","MoKα","","0.0794","0.0577","","","0.1577","0.169","","","","","","1.096","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027658","14.191","0.004","14.2","0.004","15.362","0.004","62.692","0.007","70.565","0.007","61.665","0.006","2394.8","1.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H62 Cl20 N6 O18 S6 -","- C68 H82 Cl4 N6 O18 S6 -","- C68 H82 Cl4 N6 O18 S6 -","1","0.5","","Thien H. Ngo; Hülya Berndt; Dieter Lentz; Hans-Ulrich Reissig","Linear and Cyclic Amides with a Thiophene Backbone: Ultrasound-Promoted Synthesis and Crystal Structures","Journal of Organic Chemistry","2012","77","","9676","9683","10.1021/jo3017605","","","0.71073","MoKα","","0.1308","0.0814","","","0.2118","0.2335","","","","","","1.057","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027659","10.0468","0.0005","23.7447","0.0011","10.5822","0.0005","90","","92.383","0.003","90","","2522.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl3 N O2 S -","- C25 H28 Cl3 N O2 S -","- C100 H112 Cl12 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0682","0.0599","","","0.1422","0.1473","","","","","","1.051","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027660","23.5879","0.001","10.0828","0.0005","20.9187","0.001","90","","102.153","0.003","90","","4863.6","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cl N O2 S -","- C26 H30 Cl N O2 S -","- C208 H240 Cl8 N8 O16 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0835","0.0592","","","0.1469","0.1615","","","","","","1.047","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027661","10.139","0.0014","10.6335","0.0016","12.1689","0.0018","85.808","0.003","71.051","0.002","86.101","0.003","1236.2","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Cl N O2 S -","- C27 H32 Cl N O2 S -","- C54 H64 Cl2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0561","0.0469","","","0.1339","0.1476","","","","","","1.061","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027662","6.4264","0.0002","9.032","0.0003","39.7647","0.0015","90","","92.139","0.001","90","","2306.46","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Br Cl N O2 S -","- C24 H25 Br Cl N O2 S -","- C96 H100 Br4 Cl4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1942","0.1333","","","0.3366","0.3696","","","","","","1.079","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027663","8.348","0.0002","17.558","0.0004","9.6511","0.0003","90","","115.451","0.001","90","","1277.32","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 S -","- C27 H30 Cl N O4 S -","- C54 H60 Cl2 N2 O8 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0757","0.0589","","","0.1541","0.1666","","","","","","1.102","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027664","13.7061","0.0005","8.9543","0.0004","18.3545","0.0007","90","","96.517","0.002","90","","2238.06","0.16","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br N O2 S -","- C24 H26 Br N O2 S -","- C96 H104 Br4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0538","0.0387","","","0.1004","0.1149","","","","","","1.099","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027665","11.0271","0.0013","18.617","0.002","12.3609","0.0016","90","","113.634","0.002","90","","2324.7","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N2 O4 S -","- C24 H25 Cl N2 O4 S -","- C96 H100 Cl4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0694","0.0524","","","0.1329","0.1454","","","","","","1.027","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027666","12.578","0.005","6.194","0.002","14.866","0.006","90","","108.503","0.01","90","","1098.3","0.7","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl N O3 S -","- C25 H28 Cl N O3 S -","- C50 H56 Cl2 N2 O6 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1117","0.0555","","","0.0923","0.1233","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027667","8.6695","0.0002","12.6691","0.0004","14.089","0.0004","97.409","0.001","97.279","0.001","91.611","0.001","1520.62","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 Cl O -","- C18 H21 Cl O -","- C72 H84 Cl4 O4 -","4","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0535","0.0468","","","0.1383","0.1474","","","","","","1.013","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027668","12.1863","0.0005","10.7876","0.0005","16.784","0.0006","90","","131.872","0.002","90","","1643","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl O2 -","- C19 H23 Cl O2 -","- C76 H92 Cl4 O8 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1026","0.0672","","","0.19","0.2311","","","","","","1.11","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027669","30.0806","0.0006","6.4962","0.0002","27.0302","0.0008","90","","122.762","0.001","90","","4441.7","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 I N O2 S -","- C24 H26 I N O2 S -","- C192 H208 I8 N8 O16 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1032","0.0565","","","0.1085","0.1266","","","","","","1.047","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027670","12.813","0.004","6.246","0.002","15.497","0.005","90","","110.299","0.004","90","","1163.2","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 I N O3 S -","- C25 H28 I N O3 S -","- C50 H56 I2 N2 O6 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0594","0.0472","","","0.1122","0.1209","","","","","","1.024","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027671","5.6171","0.0004","8.6157","0.0008","26.29","0.003","90","","90","","90","","1272.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Cristian Mollar; Carmen Ramirez de Arellano; Mercedes Medio-Simón; Gregorio Asensio","Switchable Palladium-Catalyst Reaction of Bromomethyl Sulfoxides, CO, and N-Nucleophiles: Aminocarbonylation at Csp3 versus Oxidative Carbonylation of Amines","Journal of Organic Chemistry","2012","77","","9693","9701","10.1021/jo301778n","","","0.71073","MoKα","","0.0401","0.0359","","","0.0852","0.0891","","","","","","1.085","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027672","7.4864","0.0005","9.6715","0.0005","10.1691","0.0004","90","","90.966","0.004","90","","736.19","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Cristian Mollar; Carmen Ramirez de Arellano; Mercedes Medio-Simón; Gregorio Asensio","Switchable Palladium-Catalyst Reaction of Bromomethyl Sulfoxides, CO, and N-Nucleophiles: Aminocarbonylation at Csp3 versus Oxidative Carbonylation of Amines","Journal of Organic Chemistry","2012","77","","9693","9701","10.1021/jo301778n","","","0.71073","MoKα","","0.0485","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027673","16.439","0.002","8.9834","0.0007","18.551","0.002","90","","90","","90","","2739.6","0.5","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Takahiro Soeta; Shuhei Fujinami; Yutaka Ukaji","Chlorosilane-Promoted Addition Reaction of Isocyanides to 3,4-Dihydroisoquinoline N-Oxides","Journal of Organic Chemistry","2012","77","","9878","9883","10.1021/jo301791m","","","0.7107","MoKα","","","0.0403","","","","0.0554","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027674","22.874","0.003","14.556","0.002","12.493","0.0012","90","","94.773","0.009","90","","4145.2","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N O3 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","1","","Zenghui Lu; Weijian Cui; Siyuan Xia; Yihui Bai; Fang Luo; Gangguo Zhu","Preparation of 3,4,5-Trisubstituted Oxazolones by Pd-Catalyzed Coupling of N-Alkynyltert-Butyloxycarbamates with Aryl Halides and Related Electrophiles","Journal of Organic Chemistry","2012","77","","9871","9877","10.1021/jo301794w","","","0.71073","MoKα","","0.1317","0.0583","","","0.1641","0.2205","","","","","","0.87","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027675","6.9736","0.0002","17.1873","0.0006","15.2945","0.0005","90","","97.093","0.002","90","","1819.13","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Zenghui Lu; Weijian Cui; Siyuan Xia; Yihui Bai; Fang Luo; Gangguo Zhu","Preparation of 3,4,5-Trisubstituted Oxazolones by Pd-Catalyzed Coupling of N-Alkynyltert-Butyloxycarbamates with Aryl Halides and Related Electrophiles","Journal of Organic Chemistry","2012","77","","9871","9877","10.1021/jo301794w","","","0.71073","MoKα","","0.0639","0.0396","","","0.1005","0.1148","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027676","11.2632","0.0016","4.6207","0.0006","13.8939","0.0017","90","","110.966","0.003","90","","675.22","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","1","","Hanchao Cheng; Dingqiao Yang","Iridium-Catalyzed Asymmetric Ring-Opening of Oxabenzonorbornadienes with Phenols","Journal of Organic Chemistry","2012","77","","9756","9765","10.1021/jo3018507","","","0.71073","MoKα","","0.0395","0.0349","","","0.1006","0.1061","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027677","13.1243","0.0004","4.763","0.0001","15.8937","0.0006","90","","111.415","0.001","90","","924.94","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","arx","3,4,5,6-tetrahydro-1H-benzo[b]azocin-2-one","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.0506","0.0404","","","0.1032","0.1118","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027678","7.4984","0.0001","9.8472","0.0001","25.9083","0.0003","90","","90","","90","","1913.02","0.04","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","ar99","1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.056","0.0418","","","0.115","0.1254","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027679","12.0179","0.0004","7.871","0.0003","12.0993","0.0006","90","","115.665","0.001","90","","1031.59","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","a99me","2-methyl-1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.0643","0.0445","","","0.1027","0.1162","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027680","7.0434","0.0003","15.9831","0.0007","9.6404","0.0004","90","","109.773","0.003","90","","1021.28","0.08","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 Cu F2 N4 O2 -","- C18 H22 Cl2 Cu F2 N4 O2 -","- C36 H44 Cl4 Cu2 F4 N8 O4 -","2","0.5","","Kseniya N. Sedenkova; Elena B. Averina; Yuri K. Grishin; Andrei G. Kutateladze; Victor B. Rybakov; Tamara S. Kuznetsova; Nikolay S. Zefirov","Three-Component Heterocyclization ofgem-Bromofluorocyclopropanes with NOBF4: Access to 4-Fluoropyrimidine N-Oxides","Journal of Organic Chemistry","2012","77","","9893","9899","10.1021/jo301880m","","","0.71073","MoKα","","0.1015","0.0481","","","0.0985","0.1135","","","","","","0.775","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027681","11.4647","0.0005","20.6943","0.0006","17.0214","0.0007","90","","104.283","0.003","90","","3913.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F N5 O8 -","- C15 H14 F N5 O8 -","- C120 H112 F8 N40 O64 -","8","2","","Kseniya N. Sedenkova; Elena B. Averina; Yuri K. Grishin; Andrei G. Kutateladze; Victor B. Rybakov; Tamara S. Kuznetsova; Nikolay S. Zefirov","Three-Component Heterocyclization ofgem-Bromofluorocyclopropanes with NOBF4: Access to 4-Fluoropyrimidine N-Oxides","Journal of Organic Chemistry","2012","77","","9893","9899","10.1021/jo301880m","","","0.71073","MoKα","","0.1531","0.0466","","","0.0735","0.0981","","","","","","0.71","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027682","12.261","0.003","23.082","0.007","28.567","0.008","108.262","0.004","91.474","0.003","105.118","0.005","7361","4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56.5 H100.25 N4.25 O38.5 S4 -","- C56.5 H60 N4.25 O38.5 S4 -","- C226 H240 N17 O154 S16 -","4","2","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0705","0.057","","","0.1564","0.1663","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027683","14.067","0.003","31.391","0.006","14.279","0.003","90","","90","","90","","6305","2","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C60 H80 N4 O28 S4 -","- C60 H80 N4 O28 S4 -","- C240 H320 N16 O112 S16 -","4","0.5","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0441","0.0413","","","0.1031","0.1052","","","","","","1.086","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027684","15.794","0.006","17.349","0.006","17.438","0.007","110.905","0.001","113.174","0.006","97.646","0.004","3890","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H106 N4 O35.72 S4 -","- C65.98 H76 N4 O35.72 S4 -","- C131.96 H152 N8 O71.44 S8 -","2","1","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0942","0.0676","","","0.1691","0.1897","","","","","","1.048","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027685","23.581","0.005","15.123","0.003","10.468","0.002","90","","94.086","0.004","90","","3723.6","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 N13 O2 -","- C41 H41 N13 O2 -","- C164 H164 N52 O8 -","4","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.1441","0.0966","","","0.1448","0.1622","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027686","10.6023","0.0009","13.3109","0.0012","13.4391","0.0012","109.33","0.008","101.227","0.007","98.434","0.007","1709.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C40.25 H34.5 Cl0.5 N12 -","- C40.25 H34.5 Cl0.5 N12 -","- C80.5 H69 Cl N24 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0783","0.0602","","","0.1396","0.1458","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027687","10.9901","0.0017","12.415","0.002","13.379","0.003","89.992","0.007","81.014","0.005","74.842","0.006","1738.7","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H36 N10 -","- C42 H36 N10 -","- C84 H72 N20 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0721","0.065","","","0.1479","0.1526","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027688","10.2033","0.0019","13.486","0.003","18.28","0.004","101.482","0.003","91.641","0.004","99.266","0.004","2428.1","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H53 Cl4 Co2 N13 O5 -","- C44 H53 Cl4 Co2 N13 O5 -","- C88 H106 Cl8 Co4 N26 O10 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0797","0.0692","","","0.1595","0.1675","","","","","","1.096","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027689","10.231","0.002","13.51","0.003","18.245","0.004","102.03","0.03","90.96","0.03","99.91","0.03","2426","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H41 Cl4 N13 Ni2 O2 -","- C41 H41 Cl4 N13 Ni2 O2 -","- C82 H82 Cl8 N26 Ni4 O4 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0686","0.0567","","","0.1368","0.1457","","","","","","1.067","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027690","12.7471","0.0005","13.9306","0.0005","15.8655","0.0006","96.018","0.003","93.271","0.003","92.071","0.003","2794.7","0.18","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46.5 Cl5 N13 Ni O11 -","- C41.5 H43.5 Cl2 N13 Ni O10.996 -","- C83 H87 Cl4 N26 Ni2 O21.992 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.093","0.0677","","","0.1525","0.1633","","","","","","0.988","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027691","12.393","0.003","16.465","0.003","17.357","0.005","72.312","0.013","82.496","0.016","68.093","0.011","3130","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H53 Cd2 Cl4 N17 O20 -","- C47 H53 Cd2 Cl4 N17 O20 -","- C94 H106 Cd4 Cl8 N34 O40 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0731","0.063","","","0.1482","0.1567","","","","","","1.071","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027692","9.7002","0.0003","13.0829","0.0003","21.7792","0.0006","90","","90","","90","","2763.93","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Fe N5 O -","- C38 H25 Fe N5 O -","- C152 H100 Fe4 N20 O4 -","4","1","","Francisco Otón; María del Carmen González; Arturo Espinosa; Carmen Ramírez de Arellano; Alberto Tárraga; Pedro Molina","Ion Pair Recognition Receptor Based on an Unsymmetrically 1,1'-Disubstituted Ferrocene-Triazole Derivative","Journal of Organic Chemistry","2012","77","","10083","10092","10.1021/jo301570u","","","0.71073","MoKα","","0.0478","0.0386","","","0.0788","0.085","","","","","","1.045","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027693","8.654","0.002","9.693","0.002","12.619","0.003","78.489","0.004","87.071","0.004","82.042","0.004","1026.9","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H29 B Cl2 F4 N2 O2 -","- C16 H29 B Cl2 F4 N2 O2 -","- C32 H58 B2 Cl4 F8 N4 O4 -","2","1","","Corey H. Basch; Jameson A. Brinck; Joaquin E. Ramos; Stephen A. Habay; Glenn P.A. Yap","Synthesis of cis-Octahydroindoles via Intramolecular 1,3-Dipolar Cycloaddition of 2-Acyl-5-aminooxazolium Salts","Journal of Organic Chemistry","2012","77","","10416","10421","10.1021/jo301600p","","","0.71073","MoKα","","0.1339","0.0844","","","0.2153","0.2521","","","","","","1.036","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027694","9.9444","0.0005","13.0012","0.0007","36.1469","0.0018","90","","90","","90","","4673.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F12 O4 -","- C11 H10 F12 O4 -","- C132 H120 F144 O48 -","12","3","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1057","0.0402","","","0.0614","0.0772","","","","","","1.014","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027695","15.696","0.0005","12.2229","0.0004","17.2068","0.0005","90","","105.378","0.001","90","","3182.95","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 F24 O9 -","- C22 H22 F24 O9 -","- C88 H88 F96 O36 -","4","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0451","0.0312","","","0.0649","0.0744","","","","","","0.989","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027696","8.1163","0.0004","21.2609","0.001","12.7665","0.0003","90","","102.562","0.003","90","","2150.25","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 F20 O4.5 -","- C15 H11 F20 O4.5 -","- C60 H44 F80 O18 -","4","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.051","0.0305","","","0.0484","0.0521","","","","","","0.918","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027697","10.591","0.0007","11.4087","0.001","12.7478","0.001","107.199","0.004","110.878","0.004","95.198","0.004","1341.27","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H10 F28 O4 -","- C19 H10 F28 O4 -","- C38 H20 F56 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1055","0.0542","","","0.1222","0.1408","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027698","10.8442","0.0009","12.6035","0.0009","13.4532","0.0006","107.292","0.004","107.556","0.006","97.246","0.003","1626.1","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C46 H20 F72 O8 -","- C46 H20 F72 O8 -","- C46 H20 F72 O8 -","1","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1084","0.0752","","","0.1939","0.2132","","","","","","1.054","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027699","13.6774","0.0008","13.8975","0.001","14.0556","0.0008","67.935","0.004","67.245","0.004","83.498","0.004","2281.7","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H10 F52 O4 -","- C31 H10 F52 O4 -","- C62 H20 F104 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0934","0.0517","","","0.116","0.1295","","","","","","1.004","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027700","7.5263","0.0006","11.7755","0.001","35.09","0.003","90","","90","","90","","3109.9","0.4","100","2","100","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C31 H10 F20 O4 -","- C31 H10 F20 O4 -","- C124 H40 F80 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0713","0.0365","","","0.0627","0.0699","","","","","","0.911","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027701","11.046","0.0002","19.7743","0.0003","18.3995","0.0003","90","","91.3656","0.0007","90","","4017.8","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H56 F40 N6 O8 -","- C80 H56 F40 N6 O8 -","- C160 H112 F80 N12 O16 -","2","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.052","0.0394","","","0.1038","0.1149","","","","","","1.01","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027702","10.3791","0.0004","19.808","0.0016","20.2096","0.0015","90","","90","","90","","4154.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 F20 N2 O4 -","- C41 H32 F20 N2 O4 -","- C164 H128 F80 N8 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0901","0.0411","","","0.0769","0.0889","","","","","","0.932","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027703","14.2526","0.0012","8.9791","0.001","9.7106","0.0005","90","","129.481","0.004","90","","959.17","0.15","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C7 H8 Cl2 O4 -","- C7 H8 Cl2 O4 -","- C28 H32 Cl8 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0341","0.0301","","","0.0652","0.0664","","","","","","1.025","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027704","8.7026","0.001","7.6311","0.0008","11.557","0.002","90","","103.131","0.004","90","","747.44","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0576","0.0349","","","0.0762","0.0826","","","","","","0.973","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027705","8.4682","0.0004","10.9244","0.0004","13.2571","0.0005","108.543","0.002","100.404","0.002","104.79","0.002","1077.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H10 F20 O4 -","- C15 H10 F20 O4 -","- C30 H20 F40 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0745","0.0477","","","0.1126","0.125","","","","","","1.026","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027706","5.4658","0.0002","17.842","0.0012","15.3081","0.0009","90","","104.041","0.003","90","","1448.26","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F10 O5 -","- C11 H10 F10 O5 -","- C44 H40 F40 O20 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0706","0.036","","","0.0538","0.0587","","","","","","1.213","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027707","9.47","0.02","6.58","0.01","10.22","0.02","90","","106.01","0.06","90","","612","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 F6 O5 -","- C9 H10 F6 O5 -","- C18 H20 F12 O10 -","2","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1179","0.0568","","","0.12","0.146","","","","","","0.971","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027708","10.208","0.0006","15.1118","0.001","32.159","0.002","90","","90","","90","","4960.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F40 N2 O8 -","- C36 H32 F40 N2 O8 -","- C144 H128 F160 N8 O32 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1029","0.0611","","","0.1612","0.1804","","","","","","0.99","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027709","15.407","0.003","13.388","0.003","11.634","0.003","90","","96.988","0.004","90","","2381.9","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C104 H112 O40 -","8","1","","Raju Karmakar; Dipakranjan Mal","Total Synthesis of Chlorocyclinone A, a PPAR-γ Antagonist","Journal of Organic Chemistry","2012","77","","10235","10248","10.1021/jo301712b","","","0.71073","MoKα","","0.0568","0.0493","","","0.1374","0.1507","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027710","19.5005","0.0009","21.6527","0.001","24.7377","0.0011","90","","90","","90","","10445.2","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C105 H114 I2 N4 O32 -","- C105 H114 I2 N4 O32 -","- C420 H456 I8 N16 O128 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.1005","0.0488","","","0.085","0.0974","","","","","","0.861","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027711","19.8819","0.0013","4.0441","0.0002","20.1653","0.0013","90","","91.89","0.005","90","","1620.5","0.17","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C84 H56 I4 N4 O4 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0681","0.0364","","","0.0753","0.085","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027712","6.9741","0.0003","19.3326","0.0011","20.4313","0.001","90","","90","","90","","2754.7","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C128 H96 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0957","0.0484","","","0.1224","0.1533","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027713","7.3227","0.0008","18.977","0.002","15.1979","0.0017","90","","113.484","0.002","90","","1937","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 I4 N O -","- C16 H13 I4 N O -","- C64 H52 I16 N4 O4 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0592","0.0322","","","0.0602","0.069","","","","","","1.004","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027714","17.3734","0.0007","8.1254","0.0004","23.7944","0.0016","90","","90","","90","","3359","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C168 H112 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0542","0.0333","","","0.0773","0.0838","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027715","17.469","0.004","5.6816","0.0013","19.972","0.004","90","","115.9","0.02","90","","1783.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3RS,3aSR,8aRS)-1-benzyl-3-phenyloctahydrocyclohepta[b]pyrrol-4(1H)-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","0.56085","AgKα","","0.1908","0.057","","","0.1015","0.1462","","","","","","0.808","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027716","10.1684","0.0018","10.9125","0.0018","18.1708","0.0019","90","","90","","90","","2016.3","0.5","295","2","295","2","","","","","","","Synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-{[(1R)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol hydrobromide","","- C22 H26 Br N O -","- C22 H26 Br N O -","- C88 H104 Br4 N4 O4 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.0305","0.0283","","","0.0724","0.0742","","","","","","0.905","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027717","9.8448","0.0011","10.711","0.0018","10.5116","0.0017","90","","115","0.01","90","","1004.6","0.3","295","2","295","2","","","","","","","Synthesis as described","5","P 1 21 1","P 2yb","4","","(1S,2R)-2-{[(1R)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol hydrobromide","","- C22 H26 Br N O -","- C22 H26 Br N O -","- C44 H52 Br2 N2 O2 -","2","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.0395","0.0348","","","0.0834","0.0863","","","","","","1.075","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027718","10.3917","0.0008","20.6521","0.0016","20.2498","0.0017","90","","90","","90","","4345.8","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,3aR,8aS)-3-phenyl-1-[(1R)-1-phenylethyl]octahydrocyclohepta [b]pyrrol-4(1H)-one","","- C48 H64 Br2 N2 O4 -","- C48 H64 Br2 N2 O4 -","- C192 H256 Br8 N8 O16 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","x-ray","0.56085","AgKα","","0.3058","0.0568","","","0.0951","0.1633","","","","","","0.635","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027719","9.667","0.003","12.211","0.003","32.485","0.007","90","","90","","90","","3834.7","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-2-{[(1S)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol","","- C22 H25 N O -","- C22 H25 N O -","- C176 H200 N8 O8 -","8","2","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.1008","0.0594","","","0.1459","0.1733","","","","","","1.025","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027720","9.7999","0.0003","10.1149","0.0003","11.2907","0.0004","90.033","0.002","102.509","0.002","113.507","0.002","997.21","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C42 H50 N2 O10 -","2","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0699","0.0495","","","0.151","0.1786","","","","","","1.136","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027721","16.6227","0.0016","14.4517","0.0014","21.3942","0.0019","90","","106.236","0.005","90","","4934.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H63 N3 O4 -","- C61 H55 N3 O4 -","- C244 H220 N12 O16 -","4","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0904","0.0594","","","0.1501","0.1842","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027722","9.623","0.009","21.48","0.02","10.161","0.009","90","","90","","90","","2100","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0701","0.0614","","","0.1639","0.1738","","","","","","1.024","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027723","19.473","0.003","33.144","0.004","7.8337","0.001","90","","90","","90","","5056","1.2","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H31 N O4 -","- C28 H31 N O4 -","- C224 H248 N8 O32 -","8","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0524","0.043","","","0.1187","0.1307","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027724","7.5929","0.0003","9.335","0.0002","21.6474","0.0007","96.007","0.002","90.54","0.003","90.553","0.003","1525.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H10 Cl2 N2 -","- C20 H10 Cl2 N2 -","- C80 H40 Cl8 N8 -","4","2","","Deepali Waghray; Jing Zhang; Jeroen Jacobs; Wienand Nulens; Nikola Basarić; Luc Van Meervelt; Wim Dehaen","Synthesis and Structural Elucidation of Diversely Functionalized 5,10-Diaza[5]Helicenes","Journal of Organic Chemistry","2012","77","","10176","10183","10.1021/jo301814m","","","0.7107","MoKα","","0.0402","0.0341","","","0.0846","0.0878","","","","","","1.095","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027725","7.965","0.003","8.718","0.003","12.816","0.005","100.64","0.03","107.39","0.03","96.14","0.03","822.1","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Deepali Waghray; Jing Zhang; Jeroen Jacobs; Wienand Nulens; Nikola Basarić; Luc Van Meervelt; Wim Dehaen","Synthesis and Structural Elucidation of Diversely Functionalized 5,10-Diaza[5]Helicenes","Journal of Organic Chemistry","2012","77","","10176","10183","10.1021/jo301814m","","","0.7107","MoKα","","0.0492","0.0408","","","0.1098","0.1163","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027726","14.07","0.02","11.657","0.017","15.58","0.02","90","","106.582","0.015","90","","2449","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 O4 S -","- C23 H20 N4 O4 S -","- C92 H80 N16 O16 S4 -","4","1","","Luping Liu; Yuan Zhong; Panpan Zhang; Xianxing Jiang; Rui Wang","Core Scaffold-Inspired Stereoselective Synthesis of Spiropyrazolones via an Organocatalytic Michael/Cyclization Sequence","Journal of Organic Chemistry","2012","77","","10228","10234","10.1021/jo301851a","","","0.71073","MoKα","","0.1826","0.0891","","","0.1945","0.2244","","","","","","1.05","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027727","7.326","0.001","15.248","0.001","22.073","0.001","77.55","0.01","82.9","0.01","76.99","0.01","2338.6","0.4","100","2","100","2","","","","","","","methylene chloride/methanol","4","P 1","P 1","1","","","","- C36 H40 N4 O5 -","- C36 H40 N4 O5 -","- C108 H120 N12 O15 -","3","3","","Andrei Kozyrev; Manivannan Ethirajan; Ping Chen; Kei Ohkubo; Byron C. Robinson; Kathleen M. Barkigia; Shunichi Fukuzumi; Karl M. Kadish; Ravindra K. Pandey","Synthesis, Photophysical and Electrochemistry of Near-IR Absorbing Bacteriochlorins Related to Bacteriochlorophylla","Journal of Organic Chemistry","2012","77","","10260","10271","10.1021/jo301895p","","","0.9","synchrotron","","0.0802","0.0782","","0.2091","","0.2037","","","1.06","","","1.052","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027728","9.893","0.003","10.737","0.003","14.794","0.006","103.294","0.009","105.814","0.01","104.803","0.007","1383.9","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H27 N5 -","- C36 H27 N5 -","- C72 H54 N10 -","2","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.078","0.0472","","","0.1113","0.1299","","","","","","0.933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027729","6.982","0.006","13.943","0.013","17.51","0.016","67.1","0.03","86.1","0.03","76.05","0.02","1523","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H23 Cl4 N5 -","- C36 H23 Cl4 N5 -","- C72 H46 Cl8 N10 -","2","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.2294","0.1494","","","0.4038","0.4833","","","","","","1.552","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027730","13.8682","0.0018","16.152","0.002","17.175","0.004","109.139","0.005","109.139","0.005","100.443","0.004","3249","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N5 O4 -","- C40 H35 N5 O4 -","- C160 H140 N20 O16 -","4","2","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0698","0.0459","","","0.1124","0.1273","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027731","10.7635","0.0018","14.054","0.003","18.836","0.003","90","","96","0.004","90","","2833.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N4 O4 -","- C34 H30 N4 O4 -","- C136 H120 N16 O16 -","4","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0767","0.045","","","0.1168","0.1532","","","","","","0.764","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027732","12.885","0.01","12.885","0.01","7.477","0.006","90","","90","","120","","1075","1.5","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C22 H24 Cl N3 O4 -","- C22 H24 Cl N3 O4 -","- C44 H48 Cl2 N6 O8 -","2","0.333333","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.1021","0.0677","","","0.1785","0.2064","","","","","","1.022","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027733","11.9726","0.0017","7.679","0.0011","31.289","0.005","90","","94.058","0.004","90","","2869.4","0.7","120","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 F3 N5 O3 S -","- C33 H24 F3 N5 O3 S -","- C132 H96 F12 N20 O12 S4 -","4","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0825","0.0436","","","0.0905","0.1076","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027734","12.1581","0.0007","22.4909","0.0012","13.1025","0.0007","90","","110.339","0.001","90","","3359.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cl F3 P2 Pd -","- C38 H30 Cl F3 P2 Pd -","- C152 H120 Cl4 F12 P8 Pd4 -","4","1","","Chunfa Xu; Sheng Chen; Long Lu; Qilong Shen","Preparation of Trifluorostyrenes via Palladium-Catalyzed Coupling of Arylboronic Acids with Chloro- and Bromotrifluoroethylene","Journal of Organic Chemistry","2012","77","","10314","10320","10.1021/jo301998g","","","0.71073","MoKα","","0.0414","0.0329","","","0.0838","0.089","","","","","","1.023","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027735","13.677","0.0003","14.981","0.0002","24.659","0.0005","90","","90","","90","","5052.51","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","DR 10 IZOMER II","","","- C55 H72 Cl2 O6 -","- C55 H72 Cl2 O6 -","- C220 H288 Cl8 O24 -","4","1","","Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay","Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks","Journal of Organic Chemistry","2012","77","","9970","9978","10.1021/jo3020402","","x-ray","0.71073","MoKα","","0.1015","0.0726","","","0.1909","0.2157","","","","","","1.046","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027736","15.872","0.0004","6.902","0.0001","24.425","0.0006","90","","108.057","0.001","90","","2543.94","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C55 H72 Cl2 O6 -","- C55.001 H72.002 Cl2.002 O6 -","- C110.002 H144.004 Cl4.004 O12 -","2","1","","Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay","Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks","Journal of Organic Chemistry","2012","77","","9970","9978","10.1021/jo3020402","","x-ray","0.71073","MoKα","","0.1099","0.0582","","","0.1356","0.1643","","","","","","0.883","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027737","11.872","0.003","7.111","0.002","19.434","0.005","90","","99.891","0.004","90","","1616.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 Si -","- C16 H19 N O3 Si -","- C64 H76 N4 O12 Si4 -","4","1","","Giorgio Abbiati; Arjana Doda; Monica Dell'Acqua; Valentina Pirovano; Diego Facoetti; Silvia Rizzato; Elisabetta Rossi","Synthesis of Two Unnatural Oxygenated Aaptaminoids","Journal of Organic Chemistry","2012","77","","10461","10467","10.1021/jo3020598","","","0.71073","MoKα","","0.1417","0.0648","","","0.156","0.1917","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027738","8.334","0.002","16.239","0.004","8.456","0.002","90","","111.019","0.004","90","","1068.3","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","","Giorgio Abbiati; Arjana Doda; Monica Dell'Acqua; Valentina Pirovano; Diego Facoetti; Silvia Rizzato; Elisabetta Rossi","Synthesis of Two Unnatural Oxygenated Aaptaminoids","Journal of Organic Chemistry","2012","77","","10461","10467","10.1021/jo3020598","","","0.71073","MoKα","","0.0904","0.0444","","","0.0817","0.0977","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027739","13.207","0.003","8.4523","0.0018","18.886","0.004","90","","90","","90","","2108.2","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","1","","Yunhui Zheng; Xuming Li; Chengfeng Ren; Daisy Zhang-Negrerie; Yunfei Du; Kang Zhao","Synthesis of Oxazoles from Enamides via Phenyliodine Diacetate-Mediated Intramolecular Oxidative Cyclization","Journal of Organic Chemistry","2012","77","","10353","10361","10.1021/jo302073e","","","0.71073","MoKα","","0.0464","0.0378","","","0.0956","0.1012","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027740","11.4952","0.0012","6.768","0.0009","15.439","0.002","90","","90","","90","","1201.1","0.3","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","1","","Petar A. Duspara; Md. Sadequl Islam; Alan J. Lough; Robert A. Batey","Synthesis and Reactivity of N-Alkyl Carbamoylimidazoles: Development of N-Methyl Carbamoylimidazole as a Methyl Isocyanate Equivalent","Journal of Organic Chemistry","2012","77","","10362","10368","10.1021/jo302084a","","","0.71073","MoKα","","0.0644","0.0455","","","0.109","0.1182","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027741","18.6488","0.0012","8.4106","0.0006","6.8574","0.0004","90","","92.121","0.003","90","","1074.83","0.12","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B F3 K O -","- C9 H11 B F3 K O -","- C36 H44 B4 F12 K4 O4 -","4","1","","Nicolas Fleury-Brégeot; Marc Presset; Floriane Beaumard; Virginie Colombel; Daniel Oehlrich; Frederik Rombouts; Gary A. Molander","Suzuki-Miyaura Cross-Coupling of Potassium Alkoxyethyltrifluoroborates: Access to Aryl/Heteroarylethyloxy Motifs","Journal of Organic Chemistry","2012","77","","10399","10408","10.1021/jo3021665","","","0.71073","MoKα","","0.025","0.0232","","","0.0554","0.0564","","","","","","1.13","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027742","5.439","0.0001","13.884","0.0003","19.535","0.0005","90","0.001","90","0.001","90","0.001","1475.19","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C72 H64 Cl4 N4 O4 -","4","1","","Gonzalo Blay; Joan Cano; Luz Cardona; Isabel Fernández; M. Carmen Muñoz; José R. Pedro; Carlos Vila","NMR Spectroscopic Characterization and DFT Calculations of Zirconium(IV)-3,3'-Br2-BINOLate and Related Complexes Used in an Enantioselective Friedel-Crafts Alkylation of Indoles with α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","10545","10556","10.1021/jo3013594","","","0.71073","MoKα","","0.0787","0.0349","","","0.082","0.1052","","","","","","0.871","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027743","10.591","0.002","11.791","0.002","14.954","0.003","90","","103.94","0.03","90","","1812.4","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TPA2TCNQF4","TPA2TCNQF4","","- C18 H28 F2 N3 -","- C18 H28 F2 N3 -","- C72 H112 F8 N12 -","4","1","","Jinzhen Lu; Thanh Hai Le; Daouda A. K. Traore; Matthew C. J. Wilce; Alan M. Bond; Lisandra L. Martin","Synthetic Precursors for TCNQF42- Compounds: Synthesis, Characterization, and Electrochemical Studies of (Pr4N)2TCNQF4 and Li2TCNQF4","Journal of Organic Chemistry","2012","77","","10568","10574","10.1021/jo301403v","","","0.77343","MoKα","","0.0469","0.0445","","","0.1078","0.1095","","","","","","1.054","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027744","14.946","0.003","7.168","0.0014","22.136","0.004","90","","103.01","0.03","90","","2310.6","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pr4NTCNQF4","Pr4NTCNQF4","","- C24 H28 F4 N5 -","- C24 H28 F4 N5 -","- C96 H112 F16 N20 -","4","1","","Jinzhen Lu; Thanh Hai Le; Daouda A. K. Traore; Matthew C. J. Wilce; Alan M. Bond; Lisandra L. Martin","Synthetic Precursors for TCNQF42- Compounds: Synthesis, Characterization, and Electrochemical Studies of (Pr4N)2TCNQF4 and Li2TCNQF4","Journal of Organic Chemistry","2012","77","","10568","10574","10.1021/jo301403v","","","0.77343","Synchrotron","","0.0482","0.0426","","","0.1087","0.1126","","","","","","1.048","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027745","12.117","0.0007","24.7548","0.0014","17.6157","0.001","90","","105.435","0.001","90","","5093.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O6 Si4 -","- C48 H72 O6 Si4 -","- C192 H288 O24 Si16 -","4","1","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0698","0.0451","","","0.11","0.118","","","","","","0.997","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027746","10.4606","0.0013","12.1928","0.0016","16.305","0.002","90","","85.78","0.002","90","","2074","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 O2 Si4 -","- C40 H48 O2 Si4 -","- C80 H96 O4 Si8 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.2397","0.1046","","","0.2479","0.3198","","","","","","1.027","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027747","8.2772","0.0002","9.244","0.0002","22.2287","0.0005","94.95","","91.91","","103.19","","1647.3","0.07","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H44 -","- C44 H44 -","- C88 H88 -","2","1","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0485","0.0408","","","0.1205","0.1268","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027748","10.832","0.0016","10.393","0.0015","17.083","0.003","90","","101.151","0.003","90","","1886.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Si4 -","- C40 H44 Si4 -","- C80 H88 Si8 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.1181","0.0518","","","0.0961","0.1082","","","","","","0.979","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027749","6.1425","0.0004","16.351","0.0009","22.2636","0.0013","90","","97.319","0.001","90","","2217.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 Br6 -","- C54 H30 Br6 -","- C108 H60 Br12 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0674","0.0335","","","0.0613","0.0662","","","","","","0.859","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027750","10.6386","0.0001","10.7847","0.0001","10.8584","0.0001","119.31","","101.93","","100.747","0.001","1000.64","0.018","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 Cl4 O4 Si4 -","- C34 H48 Cl4 O4 Si4 -","- C34 H48 Cl4 O4 Si4 -","1","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0355","0.0304","","","0.0761","0.0805","","","","","","1.04","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027751","8.752","0.002","9.601","0.003","34.398","0.009","90","","90.406","0.004","90","","2890.3","1.4","100","2","100","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","3-(4-methoxyphenylimino)cholest-4-ene-6-one","","- C34 H49 N O2 -","- C34 H49 N O2 -","- C136 H196 N4 O8 -","4","2","","Xin Geng; Joel T. Mague; Robert A. Pascal","Synthesis and Chiroptical Properties of Arylimines of Cholest-4-ene-3,6-dione","Journal of Organic Chemistry","2012","77","","10920","10924","10.1021/jo301591g","","","0.71073","MoKα","","0.0909","0.0739","","","0.1867","0.2017","","","","","","1.088","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027752","10.364","0.003","30.543","0.009","19.545","0.006","90","","101.745","0.004","90","","6057","3","296","2","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H69 Br Cl9 N9 O3 -","- C57 H45 Br Cl9 N9 O3 -","- C228 H180 Br4 Cl36 N36 O12 -","4","1","","Natsuko Uchida; Junpei Kuwabara; Ayako Taketoshi; Takaki Kanbara","Molecular Design of Organic Superbases, Azacalix[3](2,6)pyridines: Catalysts for 1,2- and 1,4-Additions","Journal of Organic Chemistry","2012","77","","10631","10637","10.1021/jo3017428","","","0.71073","MoKα","","","0.1979","","","","0.5033","","","","","","1.277","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027753","9.0429","0.0007","19.0807","0.0016","11.3218","0.0009","90","","111.15","0.001","90","","1821.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-amino-2,2-dimethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.0416","0.0355","","","0.1025","0.1096","","","","","","1.029","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027754","7.2975","0.0006","11.8237","0.0009","12.3742","0.001","74.586","0.001","82.947","0.001","83.66","0.001","1018.11","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","3-amino-2,2-diethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C48 H48 N4 O6 -","2","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.054","0.0465","","","0.1205","0.127","","","","","","1.024","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027755","10.8794","0.0005","10.5049","0.0005","17.5593","0.0008","90","","99.814","0.001","90","","1977.43","0.16","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3-chloro-2-ethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C22 H18 Cl2 N2 O2 -","- C22 H18 Cl2 N2 O2 -","- C88 H72 Cl8 N8 O8 -","4","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.0406","0.0373","","","0.1026","0.1056","","","","","","1.056","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027756","9.3035","0.0002","9.3322","0.0003","19.7057","0.0006","90","","100.401","0.003","90","","1682.78","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Boshen Wu; George C. Feast; Amber L. Thompson; Jeremy Robertson","Synthesis of Stereoisomers of Artemisia and Chrysanthemum Bis(acetylenic) Enol Ether Spiroacetals","Journal of Organic Chemistry","2012","77","","10623","10630","10.1021/jo301810d","","","1.5418","CuKα","","0.0425","0.0396","","0.1178","0.1132","0.1175","","","","","","1.0112","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027757","8.8737","0.0002","9.7374","0.0002","11.242","0.0003","95.422","0.001","112.71","0.0012","99.3154","0.0013","871.01","0.04","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","","Boshen Wu; George C. Feast; Amber L. Thompson; Jeremy Robertson","Synthesis of Stereoisomers of Artemisia and Chrysanthemum Bis(acetylenic) Enol Ether Spiroacetals","Journal of Organic Chemistry","2012","77","","10623","10630","10.1021/jo301810d","","","0.71073","MoKα","","0.0476","0.0418","","0.1104","0.1035","0.1104","","","","","","0.9195","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027758","10.3054","0.0004","10.0632","0.0004","10.8269","0.0003","90","","94.886","0.001","90","","1118.73","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H40 N O5 -","- C22 H40 N O5 -","- C44 H80 N2 O10 -","2","1","","Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev","Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones","Journal of Organic Chemistry","2012","77","","10688","10698","10.1021/jo3019158","","x-ray","0.71073","MoKα","","0.0402","0.0385","","","0.1138","0.1153","","","","","","1.094","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027759","8.9167","0.0009","11.6882","0.0019","20.8027","0.0015","90","","90","","90","","2168.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Di-tert-butoxy-3- (pent-4-enyl)octahydrocyclopenta[c]pyrrolo[1,2-b]isoxazolidine","","- C22 H38.14 N O3 -","- C22 H38.13 N O3 -","- C88 H152.52 N4 O12 -","4","1","","Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev","Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones","Journal of Organic Chemistry","2012","77","","10688","10698","10.1021/jo3019158","","","0.71073","MoKα","","0.0381","0.036","","","0.1001","0.1025","","","","","","1.044","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027760","8.9677","0.0009","5.2389","0.0007","17.839","0.002","90","","94.853","0.004","90","","835.09","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","KA254, A enantiomer","[(1R,2S,5R,6S,7R)-2-(4-bromophenyl)-7-(diethylamino)-3- oxabicyclo[3.2.0]heptan-6-yl]methanol","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C34 H48 Br2 N2 O4 -","2","1","","Kerti Ausmees; Kadri Kriis; Tõnis Pehk; Franz Werner; Ivar Järving; Margus Lopp; Tõnis Kanger","Diastereoselective Multicomponent Cascade Reaction Leading to [3.2.0]-Heterobicyclic Compounds","Journal of Organic Chemistry","2012","77","","10680","10687","10.1021/jo3019413","","","0.71073","MoKα","","0.0433","0.0332","","","0.0751","0.0804","","","","","","0.902","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027761","14.655","0.009","18.309","0.011","7.846","0.005","90","","95.567","0.01","90","","2095","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl3 I N O3 -","- C19 H17 Cl3 I N O3 -","- C76 H68 Cl12 I4 N4 O12 -","4","1","","Saurabh Mehta; Tuanli Yao; Richard C. Larock","Regio- and Stereoselective Synthesis of Cyclic Imidates via Electrophilic Cyclization of 2-(1-Alkynyl)benzamides. A Correction","Journal of Organic Chemistry","2012","77","","10938","10944","10.1021/jo301958q","","","0.71073","MoKα","","0.0911","0.0655","","","0.1678","0.1859","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027762","6.793","0.003","18.773","0.008","28.433","0.012","90","","93.443","0.007","90","","3619","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I N O Si -","- C18 H18 I N O Si -","- C144 H144 I8 N8 O8 Si8 -","8","2","","Saurabh Mehta; Tuanli Yao; Richard C. Larock","Regio- and Stereoselective Synthesis of Cyclic Imidates via Electrophilic Cyclization of 2-(1-Alkynyl)benzamides. A Correction","Journal of Organic Chemistry","2012","77","","10938","10944","10.1021/jo301958q","","","0.71073","MoKα","","0.1387","0.1221","","","0.334","0.3488","","","","","","1.247","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027763","33.413","0.003","9.4529","0.0008","15.755","0.0013","90","","104.835","0.002","90","","4810.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H24 Cl4 N8 S4 -","- C50 H24 Cl4 N8 S4 -","- C200 H96 Cl16 N32 S16 -","4","0.5","","Raúl García; M Ángeles Herranz; M Rosario Torres; Pierre-Antoine Bouit; Juan Luis Delgado; Joaquín Calbo; Pedro M. Viruela; Enrique Ortí; Nazario Martín","Tuning the Electronic Properties of Nonplanar exTTF-Based Push-Pull Chromophores by Aryl Substitution","Journal of Organic Chemistry","2012","77","","10707","10717","10.1021/jo302047m","","","0.71073","MoKα","","0.1995","0.0844","","","0.2614","0.3264","","","","","","0.993","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027764","15.4616","0.001","8.4839","0.0006","14.5911","0.001","90","","100.587","0.006","90","","1881.4","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 N12 O6 -","- C15 H24 N12 O6 -","- C60 H96 N48 O24 -","4","0.5","","Marek Stancl; Zuzana Gargulakova; Vladimir Sindelar","Glycoluril Dimer Isomerization under Aqueous Acidic Conditions Related to Cucurbituril Formation","Journal of Organic Chemistry","2012","77","","10945","10948","10.1021/jo302063j","","","0.71073","MoKα","","0.0526","0.0388","","","0.1082","0.1123","","","","","","1.055","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027765","14.847","0.001","10.857","0.001","14.834","0.001","90","","119.32","0.01","90","","2084.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I O2 -","- C11 H9 I O2 -","- C88 H72 I8 O16 -","8","2","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.0702","0.04","","","0.0838","0.0952","","","","","","1.007","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027766","17.183","0.002","10.897","0.001","18.656","0.003","90","","115.34","0.01","90","","3157.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","2","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.174","0.0727","","","0.1495","0.1961","","","","","","0.996","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027767","14.935","0.003","9.95","0.002","10.439","0.002","90","","97.52","0.01","90","","1537.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.068","0.0484","","","0.1178","0.1322","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027768","22.122","0.004","5.367","0.001","16.713","0.003","90","","112.172","0.004","90","","1837.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C64 H88 N24 O16 -","8","2","","Debanjan Biswas; Ryan J. Holland; Jeffrey R. Deschamps; Zhao Cao; Larry K. Keefer; Joseph E. Saavedra","O2-Functionalized Methylamine Diazeniumdiolates: Evidence for E-Z Equilibration in an Acyclic System","Journal of Organic Chemistry","2012","77","","10804","10810","10.1021/jo3020837","","","0.71073","MoKα","","0.0527","0.0451","","","0.1089","0.1105","","","","","","1.083","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027769","10.845","0.005","9.451","0.005","12.818","0.006","90","","113.506","0.005","90","","1204.8","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H27 N -","- C33 H27 N -","- C66 H54 N2 -","2","1","","Mei-Jin Zhong; Xiang-Chuan Wang; Hai-Tao Zhu; Jie Hu; Lei Liu; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Tetrasubstituted Cyclopentadienes via Palladium-Catalyzed Reaction of (Z)-2-En-4-yn Acetates and N-Methyl Indoles","Journal of Organic Chemistry","2012","77","","10955","10961","10.1021/jo3021055","","","0.71073","MoKα","","0.1309","0.0577","","","0.0741","0.0928","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027770","10.1773","0.0005","10.6007","0.0006","11.9185","0.0006","69.317","0.005","81.261","0.004","88.31","0.004","1188.6","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C33 H26 N -","- C33 H26 N -","- C66 H52 N2 -","2","1","","Mei-Jin Zhong; Xiang-Chuan Wang; Hai-Tao Zhu; Jie Hu; Lei Liu; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Tetrasubstituted Cyclopentadienes via Palladium-Catalyzed Reaction of (Z)-2-En-4-yn Acetates and N-Methyl Indoles","Journal of Organic Chemistry","2012","77","","10955","10961","10.1021/jo3021055","","","1.5418","CuKα","","0.0545","0.0487","","","0.1317","0.1386","","","","","","1.057","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027771","14.4152","0.0001","15.5893","0.0002","18.6579","0.0002","90","","93.605","0.001","90","","4184.56","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C208 H184 N24 O16 -","8","1","","Hongpeng Sun; Huayong Zhou; Oleg Khorev; Ruwei Jiang; Ting Yu; Xin Wang; Yongli Du; Yi Ma; Tao Meng; Jingkang Shen","Three-Component, One-Pot Sequential Synthesis of Functionalized Cyclazines: 3H-1,2a1,3-Triazaacenaphthylenes","Journal of Organic Chemistry","2012","77","","10745","10751","10.1021/jo3021105","","","0.71073","MoKα","","0.0395","0.0351","","","0.089","0.0923","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027772","40.6397","0.0006","7.7179","0.0001","17.0144","0.0002","90","","97.5888","0.0008","90","","5289.88","0.12","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C240 H192 N32 O48 -","16","2","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","A Raney-Cobalt-Mediated Tandem Reductive Cyclization Route to the 1,5-Methanoazocino[4,3-b]indole Framework of the Uleine and Strychnos Alkaloids","Journal of Organic Chemistry","2012","77","","10773","10781","10.1021/jo302132d","","","0.71073","MoKα","","0.0648","0.0445","","0.1107","0.1016","0.1107","","","","","","0.9898","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027773","8.973","0.004","12.797","0.005","15.681","0.007","90","","90","","90","","1800.6","1.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N2 O6 P S -","- C14 H23 N2 O6 P S -","- C56 H92 N8 O24 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","0.71073","MoKα","","0.1129","0.065","","","0.1125","0.1249","","","","","","0.997","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027774","9.901","0.003","13.938","0.005","21.18","0.007","90","","90","","90","","2922.8","1.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Br N2 O6 P S -","- C18 H30 Br N2 O6 P S -","- C72 H120 Br4 N8 O24 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","0.71073","MoKα","","0.0999","0.0584","","","0.1315","0.1459","","","","","","0.925","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027775","19.234","0.004","12.276","0.003","10.907","0.002","90","","114.84","0.03","90","","2337.1","1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C15 H25 N2 O7 P S -","- C15 H25 N2 O7 P S -","- C60 H100 N8 O28 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","1.54178","CuKα","","0.076","0.0726","","","0.1906","0.1983","","","","","","1.122","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027776","7.2395","0.0006","11.7179","0.001","10.5844","0.0009","90","","105.319","0.002","90","","865.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C38 H32 I2 N2 O6 -","2","1","","Min-Qiang Jia; Chuan Liu; Shu-Li You","Diastereoselective and Enantioselective Desymmetrization of α-Substituted Cyclohexadienones via Intramolecular Stetter Reaction","Journal of Organic Chemistry","2012","77","","10996","11001","10.1021/jo3022555","","","0.71073","MoKα","","0.0261","0.0255","","","0.0573","0.0577","","","","","","1.07","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027777","12.6","0.03","9.57","0.03","17.72","0.05","90","","105.88","0.02","90","","2055","10","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O6 -","- C20 H17 Br N2 O6 -","- C80 H68 Br4 N8 O24 -","4","2","","Cheng-Yong Jin; Yao Wang; Yao-Zong Liu; Chao Shen; Peng-Fei Xu","Organocatalytic Asymmetric Michael Addition of Oxindoles to Nitroolefins for the Synthesis of 2,2-Disubstituted Oxindoles Bearing Adjacent Quaternary and Tertiary Stereocenters","Journal of Organic Chemistry","2012","77","","11307","11312","10.1021/jo301886j","","","0.71073","MoKα","","0.1502","0.0513","","","0.1102","0.1558","","","","","","0.872","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027778","8.302","0.01","9.769","0.012","13.135","0.016","90","","99.38","0.011","90","","1051","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N2 O4 -","- C22 H21 Br N2 O4 -","- C44 H42 Br2 N4 O8 -","2","1","","Cheng-Yong Jin; Yao Wang; Yao-Zong Liu; Chao Shen; Peng-Fei Xu","Organocatalytic Asymmetric Michael Addition of Oxindoles to Nitroolefins for the Synthesis of 2,2-Disubstituted Oxindoles Bearing Adjacent Quaternary and Tertiary Stereocenters","Journal of Organic Chemistry","2012","77","","11307","11312","10.1021/jo301886j","","","0.71073","MoKα","","0.0842","0.0505","","","0.1196","0.1362","","","","","","1.029","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027779","8.6875","0.0013","14.688","0.002","16.685","0.002","90","","90","","90","","2129","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O3 Si -","- C22 H31 N O3 Si -","- C88 H124 N4 O12 Si4 -","4","1","","Trung Cao; Elizabeth C. Linton; Joshua Deitch; Simon Berritt; Marisa C. Kozlowski","Copper(II)- and Palladium(II)-Catalyzed Enantioselective Claisen Rearrangement of Allyloxy- and Propargyloxy-Indoles to Quaternary Oxindoles and Spirocyclic Lactones","Journal of Organic Chemistry","2012","77","","11034","11055","10.1021/jo302039n","","","0.71073","MoKα","","0.0714","0.0543","","","0.1061","0.1157","","","","","","1.074","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027780","8.7058","0.001","13.9305","0.0016","9.1612","0.001","90","","94.954","0.003","90","","1106.9","0.2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C46 H54 N2 O12 S2 -","2","1","","Trung Cao; Elizabeth C. Linton; Joshua Deitch; Simon Berritt; Marisa C. Kozlowski","Copper(II)- and Palladium(II)-Catalyzed Enantioselective Claisen Rearrangement of Allyloxy- and Propargyloxy-Indoles to Quaternary Oxindoles and Spirocyclic Lactones","Journal of Organic Chemistry","2012","77","","11034","11055","10.1021/jo302039n","","","0.71073","MoKα","","0.0495","0.0442","","","0.1074","0.113","","","","","","1.05","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027781","8.601","0.0003","8.487","0.0002","13.3739","0.0004","90","","105.396","0.004","90","","941.22","0.05","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O2 -","- C23 H18 Cl N O2 -","- C46 H36 Cl2 N2 O4 -","2","1","","Jian Zuo; Yu-Hua Liao; Xiao-Mei Zhang; Wei-Cheng Yuan","Organocatalyzed Enantioselective Decarboxylative Stereoablation Reaction for the Construction of 3,3'-Disubstituted Oxindoles Using β-Ketoacids and 3-Halooxindoles","Journal of Organic Chemistry","2012","77","","11325","11332","10.1021/jo302048v","","","0.71073","MoKα","","0.0606","0.0494","","","0.1267","0.1362","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027782","15.906","0.004","14.318","0.003","18.234","0.004","90","","97.792","0.004","90","","4114.3","1.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N2 O2 S -","- C24 H21 F N2 O2 S -","- C192 H168 F8 N16 O16 S8 -","8","2","","B. V. Subba Reddy; Manisha Swain; S.Madhusudana Reddy; J. S. Yadav; B. Sridhar","Gold-Catalyzed Domino Cycloisomerization/Pictet-Spengler Reaction of 2-(4-Aminobut-1-yn-1-yl)anilines with Aldehydes: Synthesis of Tetrahydropyrido[4,3-b]indole Scaffolds","Journal of Organic Chemistry","2012","77","","11355","11361","10.1021/jo302068e","","","0.71073","MoKα","","0.0574","0.0395","","","0.1003","0.1193","","","","","","1.063","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027783","42.1835","0.0012","8.6921","0.0002","31.6239","0.0008","90","","99","0.002","90","","11452.6","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C69 H77 O9 -","- C69 H77 O9 -","- C552 H616 O72 -","8","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","1.54178","CuKα","","0.1293","0.1139","","","0.3468","0.3612","","","","","","1.684","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027784","12.2923","0.0015","13.5731","0.0018","17.213","0.002","108.91","0.006","92.79","0.006","95.513","0.006","2694.6","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H72 O6 -","- C66 H72 O6 -","- C132 H144 O12 -","2","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","1.54178","CuKα","","0.2365","0.1981","","","0.5105","0.5513","","","","","","2.516","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027785","19.257","0.005","34.153","0.009","18.252","0.005","90","","101.264","0.004","90","","11773","5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H72 O6 -","- C66 H72 O6 -","- C528 H576 O48 -","8","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","0.71073","MoKα","","0.1698","0.1341","","","0.3717","0.4108","","","","","","1.721","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027786","23.0609","0.0009","23.0609","0.0009","27.0102","0.0009","90","","90","","90","","14364.2","0.9","120","","120","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C33 H29.5 N O4 -","- C33 H29.5 N O4 -","- C528 H472 N16 O64 -","16","1","","Mikhail A. Filatov; Stanislav Baluschev; Iliyana Z. Ilieva; Volker Enkelmann; Tzenka Miteva; Katharina Landfester; Sergey E. Aleshchenkov; Andrei V. Cheprakov","Tetraaryltetraanthra[2,3]porphyrins: Synthesis, Structure, and Optical Properties","Journal of Organic Chemistry","2012","77","","11119","11131","10.1021/jo302135q","","","0.71073","MoKα","","0.0941","0.0407","","0.1145","0.0584","0.0584","","","","","","0.9801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027787","10.7606","0.0014","21.095","0.003","9.8744","0.0013","90","","92.642","0.003","90","","2239.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C108 H112 N8 O16 -","4","1","","Prakash R. Sultane; Ramakrishna G. Bhat","Stereoselective Approach to cis-2,3-Disubstituted Piperidines via Reduction of N-Acyliminium Ion Intermediate: Enantioselective Synthesis of (+)-(2S,3S)-CP-99,994","Journal of Organic Chemistry","2012","77","","11349","11354","10.1021/jo302181k","","","0.71073","MoKα","","0.1542","0.0619","","","0.1354","0.182","","","","","","0.867","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027788","11.8172","0.0015","14.954","0.002","20.549","0.003","70.961","0.005","84.168","0.005","88.955","0.005","3414.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H25 Cl3 F3 N3 -","- C42 H25 Cl3 F3 N3 -","- C168 H100 Cl12 F12 N12 -","4","2","","Yi-Lin Wu; Mihaiela C. Stuparu; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Kim K. Baldridge; Jay S. Siegel; François Diederich","Structural, Optical, and Electrochemical Properties of Three-Dimensional Push-Pull Corannulenes","Journal of Organic Chemistry","2012","77","","11014","11026","10.1021/jo302217n","","","0.71073","MoKα","","0.1606","0.0689","","","0.1372","0.1683","","","","","","1.107","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027789","10.1646","0.0006","8.383","0.0007","11.7462","0.0007","90","","99.691","0.006","90","","986.61","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 I O2 -","- C22 H21 I O2 -","- C44 H42 I2 O4 -","2","1","","Jisong Jin; Yan Luo; Chao Zhou; Xiaopeng Chen; Qiaodong Wen; Ping Lu; Yanguang Wang","Synthesis of Indeno[1,2-c]furans via a Pd-Catalyzed Bicyclization of 2-Alkynyliodobenzene and Propargylic Alcohol","Journal of Organic Chemistry","2012","77","","11368","11371","10.1021/jo302223y","","","0.71073","MoKα","","0.0506","0.0394","","","0.0876","0.095","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027790","9.5857","0.0006","10.227","0.0006","12.6649","0.001","71.274","0.006","74.494","0.006","88.393","0.005","1130.78","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H24 O -","- C31 H24 O -","- C62 H48 O2 -","2","1","","Jisong Jin; Yan Luo; Chao Zhou; Xiaopeng Chen; Qiaodong Wen; Ping Lu; Yanguang Wang","Synthesis of Indeno[1,2-c]furans via a Pd-Catalyzed Bicyclization of 2-Alkynyliodobenzene and Propargylic Alcohol","Journal of Organic Chemistry","2012","77","","11368","11371","10.1021/jo302223y","","","0.71073","MoKα","","0.0717","0.048","","","0.118","0.137","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027791","10.461","0.005","8.172","0.004","16.1","0.007","90","","95.244","0.008","90","","1370.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C56 H76 N12 O12 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","0.71073","MoKα","","0.0597","0.0484","","","0.1205","0.1275","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027792","8.9063","0.0003","10.331","0.0003","13.8954","0.0004","90","","90","","90","","1278.53","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","1.54178","CuKα","","0.0259","0.0257","","","0.0734","0.0737","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027793","8.719","0.002","15.485","0.004","11.213","0.003","90","","97.564","0.003","90","","1500.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","0.71073","MoKα","","0.0441","0.0382","","","0.1216","0.1304","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027794","10.569","0.0005","21.4775","0.0014","11.5781","0.0007","90","","98.834","0.002","90","","2597","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N5 O5 -","- C28 H29 N5 O5 -","- C112 H116 N20 O20 -","4","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","x-ray","0.71073","MoKα","","0.0604","0.041","","","0.0993","0.1095","","","","","","1.03","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027795","14.8091","0.0004","11.8613","0.0004","14.8551","0.0004","90","","100.775","0.002","90","","2563.37","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N4 O7 -","- C26 H30 N4 O7 -","- C104 H120 N16 O28 -","4","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","","0.71073","MoKα","","0.0832","0.0566","","","0.1418","0.1555","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027796","36.2985","0.0006","34.2014","0.0008","9.2314","0.0002","90","","90","","90","","11460.4","0.4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H34 N4 O9 -","- C29 H34 N4 O9 -","- C464 H544 N64 O144 -","16","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","","0.71073","MoKα","","0.049","0.0435","","","0.1086","0.1164","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027797","10.658","0.0003","7.345","0.0003","16.586","0.0008","90","","90","","90","","1298.4","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","","Izabella Jastrzębska; Marcin Górecki; Jadwiga Frelek; Rosa Santillan; Leszek Siergiejczyk; Jacek W. Morzycki","Photoinduced Isomerization of 23-Oxosapogenins: Conformational Analysis and Spectroscopic Characterization of 22-Isosapogenins","Journal of Organic Chemistry","2012","77","","11257","11269","10.1021/jo3022549","","","0.71073","MoKα","","0.0537","0.0492","","","0.1259","0.1303","","","","","","1.049","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027798","7.8847","0.0003","8.9681","0.0003","14.7329","0.0005","90","","102.011","0.005","90","","1018.97","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O8 -","- C20 H18 Br N O8 -","- C40 H36 Br2 N2 O16 -","2","1","","Fernando Cagide-Fagín; Olaia Nieto-García; Hugo Lago-Santomé; Ricardo Alonso","Enantioselective Synthesis of Protected Nitrocyclohexitols with Five Stereocenters. Total Synthesis of (+)-Pancratistatin","Journal of Organic Chemistry","2012","77","","11377","11382","10.1021/jo3022567","","x-ray","0.7107","MoKα","","0.045","0.035","","","0.069","0.0711","","","","","","1.233","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027799","12.6347","0.0019","13.4144","0.0019","18.718","0.003","92.426","0.003","103.155","0.002","104.145","0.003","2979.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H110 N30 O28 P4 Zn4 -","- C92 H110 N30 O28 P4 Zn4 -","- C92 H110 N30 O28 P4 Zn4 -","1","0.5","","Feihu Huang; Chen Cheng; Guoqiang Feng","Introducing Ligand-Based Hydrogen Bond Donors to a Receptor: Both Selectivity and Binding Affinity for Anion Recognition in Water Can Be Improved","Journal of Organic Chemistry","2012","77","","11405","11408","10.1021/jo302271t","","","0.71073","MoKα","","0.098","0.0693","","","0.1964","0.2155","","","","","","0.997","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027800","13.658","0.002","17.73","0.002","20.921","0.002","90","","94.411","0.003","90","","5051.1","1.1","123.2","","123.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 O11 -","- C52 H60 O11 -","- C208 H240 O44 -","4","1","","Tomoki Ogoshi; Daiki Yamafuji; Daisuke Kotera; Takamichi Aoki; Shuhei Fujinami; Tada-aki Yamagishi","Clickable Di- and Tetrafunctionalized Pillar[n]arenes (n= 5, 6) by Oxidation-Reduction of Pillar[n]arene Units","Journal of Organic Chemistry","2012","77","","11146","11152","10.1021/jo302283n","","","0.7107","MoKα","","","0.0688","","","","0.1114","","","","","","1.798","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029712","15.0119","0.0006","3.99067","0.00018","22.8802","0.0009","90","","93.428","0.004","90","","1368.24","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br2 N2 O3 -","- C13 H12 Br2 N2 O3 -","- C52 H48 Br8 N8 O12 -","4","1","","Gonsior, Nina; Mohr, Fabian; Ritter, Helmut","Synthesis of mesomeric betaine compounds with imidazolium-enolate structure.","Beilstein journal of organic chemistry","2012","8","","390","397","10.3762/bjoc.8.42","","","1.5418","CuKα","","0.0374","0.0317","","","0.0895","0.0921","","","","","","1.038","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029713","22.587","0.003","5.7481","0.0008","16.118","0.002","90","","90","","90","","2092.6","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","1","","Sun, Jing; Gao, Hong; Wu, Qun; Yan, Chao-Guo","Facile synthesis of functionalized tetrahydroquinolines via domino Povarov reactions of arylamines, methyl propiolate and aromatic aldehydes.","Beilstein journal of organic chemistry","2012","8","","1839","1843","10.3762/bjoc.8.211","","","0.71073","MoKα","","0.045","0.0355","","","0.0792","0.085","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029714","11.7117","0.0002","11.9571","0.0002","32.2561","0.0006","90","","92.6441","0.0014","90","","4512.27","0.14","100","","100","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Fe N6 -","- C26 H26 Fe N6 -","- C208 H208 Fe8 N48 -","8","2","","White, Nicholas G.; Beer, Paul D.","A ferrocene redox-active triazolium macrocycle that binds and senses chloride.","Beilstein journal of organic chemistry","2012","8","","246","252","10.3762/bjoc.8.25","","","0.6889","Synchrotron","","0.0673","0.0656","","0.1525","0.1523","0.1525","","","","","","1.0444","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029715","21.1393","0.0008","11.1627","0.0002","9.8316","0.0002","90","","101.439","0.003","90","","2273.9","0.11","120","","120","","","","","","","","synthesised","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Fe2 N12 -","- C52 H52 Fe2 N12 -","- C104 H104 Fe4 N24 -","2","0.5","","White, Nicholas G.; Beer, Paul D.","A ferrocene redox-active triazolium macrocycle that binds and senses chloride.","Beilstein journal of organic chemistry","2012","8","","246","252","10.3762/bjoc.8.25","","","0.6889","Synchrotron","","0.0645","0.0495","","0.098","0.0914","0.098","","","","","","0.9278","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029716","10.5893","0.0006","19.1221","0.0011","12.1578","0.0007","90","","100.076","0.002","90","","2423.9","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H21 Au I N3 O -","- C27 H21 Au I N3 O -","- C108 H84 Au4 I4 N12 O4 -","4","2","","Wang, Feijun; Li, Shengke; Qu, Mingliang; Zhao, Mei-Xin; Liu, Lian-Jun; Shi, Min","Synthesis of axially chiral oxazoline-carbene ligands with an N-naphthyl framework and a study of their coordination with AuCl·SMe(2).","Beilstein journal of organic chemistry","2012","8","","726","731","10.3762/bjoc.8.81","","","0.71073","MoKα","","0.0238","0.0228","","","0.0576","0.0581","","","","","","1.03","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029717","10.4511","0.0007","9.1426","0.0006","16.1139","0.0011","90","","105.858","0.001","90","","1481.09","0.17","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H36 Cl N3 O2 S -","- C31 H36 Cl N3 O2 S -","- C62 H72 Cl2 N6 O4 S2 -","2","1","","Callebaut, Gert; Mangelinckx, Sven; Van der Veken, Pieter; Törnroos, Karl W; Augustyns, Koen; De Kimpe, Norbert","Asymmetric synthesis of γ-chloro-α,β-diamino- and β,γ-aziridino-α-aminoacylpyrrolidines and -piperidines via stereoselective Mannich-type additions of N-(diphenylmethylene)glycinamides across α-chloro-N-sulfinylimines.","Beilstein journal of organic chemistry","2012","8","","2124","2131","10.3762/bjoc.8.239","","","0.71073","MoKα","","0.0603","0.0595","","","0.1511","0.1523","","","","","","1.083","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029718","9.7263","0.0006","12.2692","0.0007","17.1677","0.0012","90","","90","","90","","2048.7","0.2","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl Fe N2 O2 -","- C23 H23 Cl Fe N2 O2 -","- C92 H92 Cl4 Fe4 N8 O8 -","4","1","","Takebayashi, Satoshi; Shizuno, Tsubasa; Otani, Takashi; Shibata, Takanori","Rh(III)-catalyzed directed C-H bond amidation of ferrocenes with isocyanates.","Beilstein journal of organic chemistry","2012","8","","1844","1848","10.3762/bjoc.8.212","","","0.71075","MoKα","","","0.0304","","","","0.0753","","","","","","1.027","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029719","9.528","0.0006","9.6271","0.0006","16.3779","0.001","90","","90","","90","","1502.3","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O3 -","- C16 H14 Br N O3 -","- C64 H56 Br4 N4 O12 -","4","1","","Deng, Hong-Ping; Wang, De; Wei, Yin; Shi, Min","Chiral multifunctional thiourea-phosphine catalyzed asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates with maleimides.","Beilstein journal of organic chemistry","2012","8","","1098","1104","10.3762/bjoc.8.121","","","0.71073","MoKα","","0.0577","0.0384","","","0.09","0.0995","","","","","","1.024","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029720","13.8017","0.0007","17.0279","0.0009","18.9988","0.0014","89.971","0.007","80.984","0.007","70.15","0.008","4141.1","0.5","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C89.5 H89 Cl2 N2 Pd -","- C89.5 H89 Cl2 N2 Pd -","- C179 H178 Cl4 N4 Pd2 -","2","1","","Martin, Anthony R.; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P.","Extending the utility of [Pd(NHC)(cinnamyl)Cl] precatalysts: Direct arylation of heterocycles.","Beilstein journal of organic chemistry","2012","8","","1637","1643","10.3762/bjoc.8.187","","","0.71075","MoKα","","","0.0843","","","","0.2577","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029721","13.7345","0.0013","12.6611","0.0009","25.128","0.002","90","","93.942","0.008","90","","4359.3","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H21 N13 -","- C56 H21 N13 -","- C224 H84 N52 -","4","1","","Avellaneda, Antonio; Hollis, Courtney A.; He, Xin; Sumby, Christopher J.","Fluorescent hexaaryl- and hexa-heteroaryl[3]radialenes: Synthesis, structures, and properties.","Beilstein journal of organic chemistry","2012","8","","71","80","10.3762/bjoc.8.7","","","0.7107","MoKα","","0.1324","0.0682","","","0.1296","0.1608","","","","","","1.025","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029722","17.373","0.011","17.241","0.011","24.421","0.016","90","","91.219","0.009","90","","7313","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H19 N O -","- C23 H19 N O -","- C368 H304 N16 O16 -","16","4","","Lu, Nianhong; Wang, Lihong; Li, Zhanshan; Zhang, Wei","A concise synthesis of 3-(1-alkenyl)isoindolin-1-ones and 5-(1-alkenyl)pyrrol-2-ones by the intermolecular coupling reactions of N-acyliminium ions with unactivated olefins.","Beilstein journal of organic chemistry","2012","8","","192","200","10.3762/bjoc.8.21","","","0.71073","MoKα","","0.1786","0.0696","","","0.1427","0.1999","","","","","","0.959","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029723","7.8821","0.0016","18.975","0.004","15.737","0.003","90","","92.84","0.03","90","","2350.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Li N O4 -","- C22 H38 Li N O4 -","- C88 H152 Li4 N4 O16 -","4","1","","Wheatley, Andrew E. H.; Clayden, Jonathan; Hillier, Ian H.; Campbell Smith, Alison; Vincent, Mark A.; Taylor, Laurence J.; Haywood, Joanna","On the control of secondary carbanion structure utilising ligand effects during directed metallation.","Beilstein journal of organic chemistry","2012","8","","50","60","10.3762/bjoc.8.5","","","0.71073","MoKα","","0.1263","0.0938","","","0.2489","0.2729","","","","","","1.04","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029724","9.6194","0.0002","29.1721","0.0008","10.0296","0.0003","90","","102.643","0.002","90","","2746.24","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Li N4 O -","- C25 H47 Li N4 O -","- C100 H188 Li4 N16 O4 -","4","1","","Wheatley, Andrew E. H.; Clayden, Jonathan; Hillier, Ian H.; Campbell Smith, Alison; Vincent, Mark A.; Taylor, Laurence J.; Haywood, Joanna","On the control of secondary carbanion structure utilising ligand effects during directed metallation.","Beilstein journal of organic chemistry","2012","8","","50","60","10.3762/bjoc.8.5","","","0.7107","MoKα","","0.1008","0.0493","","","0.1121","0.1261","","","","","","0.976","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029725","11.405","0.002","14.943","0.003","10.8676","0.0018","90","","90","","90","","1852.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N3 O6 -","- C19 H21 N3 O6 -","- C76 H84 N12 O24 -","4","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.028","0.0271","","","0.0667","0.0672","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029726","6.4732","0.0005","10.4674","0.0007","14.5108","0.001","90","","95.05","0.001","90","","979.4","0.12","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C46 H46 N6 O8 -","2","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0276","0.0273","","","0.0713","0.0715","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029727","15.0761","0.0019","10.72","0.0013","23.726","0.003","90","","90","","90","","3834.5","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C184 H184 N24 O32 -","8","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0718","0.0416","","","0.093","0.1026","","","","","","0.891","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029728","6.6527","0.0001","14.3997","0.0002","14.2861","0.0002","90","","91.7612","0.0006","90","","1367.92","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O6 -","- C13 H16 N2 O6 -","- C52 H64 N8 O24 -","4","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0502","0.0356","","0.0865","0.0814","0.0865","","","","","","0.9401","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029729","20.7471","0.0006","7.3739","0.0002","12.0188","0.0003","90","","90.9587","0.0014","90","","1838.46","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0891","0.0501","","0.1558","0.1161","0.1558","","","","","","0.9724","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029730","27.975","0.005","27.975","0.005","48.786","0.017","90","","90","","90","","38180","16","150","2","150","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C66 H70 F12 N8 O20 Ru4 S4 -","- C66 H70 F12 N8 O20 Ru4 S4 -","- C1056 H1120 F192 N128 O320 Ru64 S64 -","16","1","","Shanmugaraju, Sankarasekaran; Samanta, Dipak; Mukherjee, Partha Sarathi","Self-assembly of Ru(4) and Ru(8) assemblies by coordination using organometallic Ru(II)(2) precursors: Synthesis, characterization and properties.","Beilstein journal of organic chemistry","2012","8","","313","322","10.3762/bjoc.8.34","","","0.71073","MoKα","","0.3104","0.1152","","","0.2819","0.4337","","","","","","1.04","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029731","13.8087","0.0013","18.1428","0.0014","15.5037","0.0013","90","","103.271","0.003","90","","3780.4","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 Ag2 F6 Ir2 N2 O8 P4 S2 -","- C64 H100 Ag2 F6 Ir2 N2 O8 P4 S2 -","- C128 H200 Ag4 F12 Ir4 N4 O16 P8 S4 -","2","0.5","","Whited, Matthew T.","Metal-ligand multiple bonds as frustrated Lewis pairs for C-H functionalization.","Beilstein journal of organic chemistry","2012","8","","1554","1563","10.3762/bjoc.8.177","","","0.71073","MoKα","","0.0655","0.0324","","","0.0457","0.0478","","","","","","1.977","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4037597","11.7586","0.0014","9.4191","0.0011","9.2033","0.0011","90","","104.092","0.001","90","","988.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O -","- C13 H12 O -","- C52 H48 O4 -","4","1","","Tummatorn, Jumreang; Batsomboon, Paratchata; Clark, Ronald J.; Alabugin, Igor V.; Dudley, Gregory B.","Strain-promoted azide-alkyne cycloadditions of benzocyclononynes.","The Journal of organic chemistry","2012","77","5","2093","2097","10.1021/jo300188y","","","0.71073","MoKα","","0.042","0.0385","","","0.1019","0.1052","","","","","","1.068","","","","has coordinates","243435","2020-10-21","18:00:00",""
"4037598","13.1194","0.0018","7.826","0.0011","14.852","0.002","90","","114.635","0.001","90","","1386.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Tummatorn, Jumreang; Batsomboon, Paratchata; Clark, Ronald J.; Alabugin, Igor V.; Dudley, Gregory B.","Strain-promoted azide-alkyne cycloadditions of benzocyclononynes.","The Journal of organic chemistry","2012","77","5","2093","2097","10.1021/jo300188y","","","0.71073","MoKα","","0.0486","0.0425","","","0.1097","0.1147","","","","","","1.009","","","","has coordinates","243436","2020-10-21","18:00:00",""
"4037599","16.6113","0.0001","12.4437","0.0001","17.761","0.0002","90","","90","","90","","3671.31","0.06","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'3',5'-Dibromo-3,5-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C176 H112 Br16 N16 -","8","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","1.5418","CuKα","","0.0255","0.025","","","0.0673","0.0676","","","","","","1.101","","","","has coordinates","243437","2020-10-21","18:00:00",""
"4037600","8.2955","0.0002","14.6494","0.0003","35.3289","0.0007","90","","94.144","0.002","90","","4282.09","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Br2 N2 O2 -","- C24 H18 Br2 N2 O2 -","- C192 H144 Br16 N16 O16 -","8","4","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.71073","MoKα","","0.0594","0.045","","","0.0673","0.0711","","","","","","1.095","","","","has coordinates","243439","2020-10-21","18:00:00",""
"4037601","7.7417","0.0004","11.2941","0.0006","10.329","0.0004","90","","90","","90","","903.12","0.08","110","2","110","2","","","","","","","","4","P n c 2","P 2 -2bc","30","","'3,5'-Dibromo-5,3'-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C44 H28 Br4 N4 -","2","0.5","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0426","0.0372","","","0.0905","0.0945","","","","","","1.071","","","","has coordinates","243440","2020-10-21","18:00:00",""
"4037602","11.8083","0.0002","11.954","0.0002","19.8145","0.0003","90","","90","","90","","2796.94","0.08","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 Br2 Fe2 N2 -","- C34 H22 Br2 Fe2 N2 -","- C136 H88 Br8 Fe8 N8 -","4","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0435","0.035","","","0.0639","0.0666","","","","","","1.097","","","","has coordinates","243441","2020-10-21","18:00:00",""
"4037603","8.078","0.0001","11.2993","0.0001","15.5039","0.0002","102.689","0.001","98.153","0.001","90.893","0.001","1365.01","0.03","110","2","110","2","","","","","","","","5","P 1","P 1","1","","'5,5'-Dibromo-3,3'-diiodo-[4,4']bipyridinyl'","","- C10 H4 Br2 I2 N2 -","- C10 H4 Br2 I2 N2 -","- C40 H16 Br8 I8 N8 -","4","4","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0361","0.0317","","","0.0685","0.0707","","","","","","1.063","","","","has coordinates","243442","2020-10-21","18:00:00",""
"4037604","14.743","0.003","15.881","0.003","9.4082","0.0018","90","","102.849","0.004","90","","2147.6","0.7","170","2","170","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 -","- C60 H50 -","- C120 H100 -","2","0.5","","Lee, Yeon Ok; Pradhan, Tuhin; Yoo, Sangwook; Kim, Tae Hyun; Kim, Joohoon; Kim, Jong Seung","Enhanced electrogenerated chemiluminescence of phenylethynylpyrene derivatives: use of weakly electron-donating group as a substituent.","The Journal of organic chemistry","2012","77","24","11007","11013","10.1021/jo3010974","","","0.71073","MoKα","","0.1782","0.0505","","","0.1043","0.1238","","","","","","0.89","","","","has coordinates","243443","2020-10-21","18:00:00",""
"4067783","9.1287","0.0001","9.1287","0.0001","35.7743","0.0003","90","","90","","90","","2981.19","0.05","180","2","180","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H52 Mn2 P4 -","- C26 H52 Mn2 P4 -","- C104 H208 Mn8 P16 -","4","0.5","","Stokes, Francesca A.; Less, Robert J.; Haywood, Joanna; Melen, Rebecca L.; Thompson, Richard I.; Wheatley, Andrew E. H.; Wright, Dominic S.; Johansson, Adam Johannes; Kloo, Lars","Structure and Bonding of the Manganese(II) Phosphide Complex (t-BuPH2)(η5-Cp)Mn{μ-(t-BuPH)}2Mn(Cp)(t-BuPH2)","Organometallics","2012","31","1","23","","10.1021/om200381p","","","0.71073","MoKα","","0.0188","0.0186","","","0.0545","0.0546","","","","","","1.242","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067784","16.8995","0.0004","9.7167","0.0003","20.6494","0.0005","90","","90.286","0.002","90","","3390.74","0.16","180","2","180","2","","","","","","","synthesis as described","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H12 Fe S2 -","- C23 H12 Fe S2 -","- C184 H96 Fe8 S16 -","8","1","","Rose-Munch, Françoise; Li, Ming; Rose, Eric; Daran, Jean Claude; Bossi, Alberto; Licandro, Emanuela; Mussini, Patrizia Romana","Tetrathia[7]helicene-Based Complexes of Ferrocene and (η5-Cyclohexadienyl)tricarbonylmanganese: Synthesis and Electrochemical Studies","Organometallics","2012","31","1","92","","10.1021/om200571a","","","0.71073","MoKα","","0.0703","0.0367","","","0.1004","0.1177","","","","","","1.017","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067785","6.8179","0.0001","12.9134","0.0002","14.4381","0.0002","88.678","0.001","77.306","0.001","85.367","0.001","1236.02","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23.5 H24 Cl3 N O3 Pt S -","- C23.5 H24 Cl3 N O3 Pt S -","- C47 H48 Cl6 N2 O6 Pt2 S2 -","2","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0398","0.0297","","","0.0736","0.0787","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067786","10.279","0.0001","19.69","0.0002","10.968","0.0001","90","","111.432","0.001","90","","2066.35","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 Pt S -","- C24 H23 N O2 Pt S -","- C96 H92 N4 O8 Pt4 S4 -","4","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0223","0.0187","","","0.0435","0.0448","","","","","","1.086","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067787","17.8659","0.0003","17.1383","0.0002","9.7579","0.0001","90","","101.968","0.001","90","","2922.84","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N O2 P Pt -","- C38 H30 N O2 P Pt -","- C152 H120 N4 O8 P4 Pt4 -","4","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0252","0.0165","","","0.0368","0.0375","","","","","","0.975","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067788","14.1871","0.0002","9.4268","0.0001","18.691","0.0002","90","","102.419","0.001","90","","2441.22","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 N2 O2 Pt -","- C26 H26 Cl2 N2 O2 Pt -","- C104 H104 Cl8 N8 O8 Pt4 -","4","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0313","0.0217","","","0.0412","0.0437","","","","","","1.045","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067789","12.4337","0.0001","16.8711","0.0001","19.1912","0.0001","90","","90","","90","","4025.74","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O2 Pt -","- C25 H20 N2 O2 Pt -","- C200 H160 N16 O16 Pt8 -","8","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0429","0.0271","","","0.0762","0.0797","","","","","","0.993","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067790","8.6021","0.0001","12.1749","0.0003","13.2392","0.0003","115.847","0.003","104.631","0.002","90.247","0.002","1196.9","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N2 O2 Pt -","- C29 H28 N2 O2 Pt -","- C58 H56 N4 O4 Pt2 -","2","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0215","0.0169","","","0.0319","0.0323","","","","","","0.958","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067791","12.3157","0.0002","12.2156","0.0002","16.2772","0.0003","90","","93.757","0.002","90","","2443.54","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl2 N3 O2 Pt -","- C26 H23 Cl2 N3 O2 Pt -","- C104 H92 Cl8 N12 O8 Pt4 -","4","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.042","0.0226","","","0.0328","0.034","","","","","","0.803","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067792","10.5452","0.0002","7.3885","0.0001","27.6064","0.0005","90","","100.074","0.002","90","","2117.74","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 Pt -","- C26 H19 N3 O2 Pt -","- C104 H76 N12 O8 Pt4 -","4","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.035","0.0301","","","0.0755","0.077","","","","","","1.016","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067793","10.528","0.0002","12.2449","0.0003","13.0739","0.0003","65.409","0.002","68.455","0.002","86.553","0.002","1416.88","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl4 N3 O3 Pt -","- C28 H25 Cl4 N3 O3 Pt -","- C56 H50 Cl8 N6 O6 Pt2 -","2","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0315","0.022","","","0.0422","0.043","","","","","","0.947","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067794","14.5153","0.0015","18.666","0.002","15.9805","0.0017","90","","95.93","0.002","90","","4306.6","0.8","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(T(p-OMe)PP)Ru(NO)Et","","","- C51 H43 Cl2 N5 O5 Ru -","- C51 H43 Cl2 N5 O5 Ru -","- C204 H172 Cl8 N20 O20 Ru4 -","4","1","","Xu, Nan; Lilly, John; Powell, Douglas R.; Richter-Addo, George B.","Synthesis, Characterization, and Infrared Reflectance Spectroelectrochemistry of Organoruthenium Nitrosyl Porphyrins","Organometallics","2012","31","3","827","","10.1021/om200601g","","","0.71073","MoKα","","0.0476","0.0442","","","0.1189","0.1217","","","","","","1.056","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067795","15.6941","0.0004","15.6941","0.0004","7.2842","0.0002","90","","90","","90","","1794.13","0.08","200","2","200","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C41 H41 Co O8 -","- C41 H41 Co O8 -","- C82 H82 Co2 O16 -","2","0.25","","Bertrand, Guillaume; Tortech, Ludovic; Fichou, Denis; Malacria, Max; Aubert, Corinne; Gandon, Vincent","An Improved Protocol for the Synthesis of [(η4-C4R4)Co(η5-C5H5)] Complexes","Organometallics","2012","31","1","126","","10.1021/om200662g","","","0.71073","MoKα","","0.0419","0.035","","","0.0884","0.0919","","","","","","1.146","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067796","10.7152","0.0003","11.6509","0.0004","17.0103","0.0005","79.647","0.001","71.889","0.002","89.139","0.001","1983.63","0.11","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H57 Co -","- C49 H57 Co -","- C98 H114 Co2 -","2","1","","Bertrand, Guillaume; Tortech, Ludovic; Fichou, Denis; Malacria, Max; Aubert, Corinne; Gandon, Vincent","An Improved Protocol for the Synthesis of [(η4-C4R4)Co(η5-C5H5)] Complexes","Organometallics","2012","31","1","126","","10.1021/om200662g","","","0.71073","MoKα","","0.0725","0.0558","","","0.1453","0.1584","","","","","","1.024","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067797","17.906","0.011","11.782","0.007","22.282","0.013","90","","94.45","0.04","90","","4687","5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C57 H41 Co -","- C57 H41 Co -","- C228 H164 Co4 -","4","1","","Bertrand, Guillaume; Tortech, Ludovic; Fichou, Denis; Malacria, Max; Aubert, Corinne; Gandon, Vincent","An Improved Protocol for the Synthesis of [(η4-C4R4)Co(η5-C5H5)] Complexes","Organometallics","2012","31","1","126","","10.1021/om200662g","","","0.71073","MoKα","","0.0908","0.063","","","0.1937","0.226","","","","","","1.067","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067798","11.709","0.004","22.392","0.009","8.758","0.003","90","","110.97","0.007","90","","2144.2","1.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 B N3 -","- C28 H24 B N3 -","- C112 H96 B4 N12 -","4","1","","Song, Bingxu; Kirschbaum, Kristin; Mason, Mark R.","Planar, Three-Coordinate Boron Monohydrides Ligated by Bis(3-methylindolyl)methanes","Organometallics","2012","31","1","191","","10.1021/om2006694","","","0.71073","MoKα","","0.1305","0.068","","","0.127","0.1502","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067799","8.9175","0.0019","12.367","0.003","13.132","0.003","117.198","0.003","100.154","0.004","100.595","0.004","1208.7","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 B N2 O2 -","- C26 H23 B N2 O -","- C52 H46 B2 N4 O2 -","2","1","","Song, Bingxu; Kirschbaum, Kristin; Mason, Mark R.","Planar, Three-Coordinate Boron Monohydrides Ligated by Bis(3-methylindolyl)methanes","Organometallics","2012","31","1","191","","10.1021/om2006694","","","0.71073","MoKα","","0.0689","0.0496","","","0.1196","0.1258","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067800","9.6244","0.0013","9.4559","0.0013","20.65","0.003","90","","98.746","0.003","90","","1857.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 B N2 -","- C25 H21 B N2 -","- C100 H84 B4 N8 -","4","1","","Song, Bingxu; Kirschbaum, Kristin; Mason, Mark R.","Planar, Three-Coordinate Boron Monohydrides Ligated by Bis(3-methylindolyl)methanes","Organometallics","2012","31","1","191","","10.1021/om2006694","","","0.71073","MoKα","","0.0673","0.0489","","","0.1045","0.1124","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067801","11.1295","0.0015","29.706","0.003","13.217","0.002","90","","96.1866","0.0018","90","","4344.3","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Cl6 P4 Pd -","- C41 H40 Cl6 P4 Pd -","- C164 H160 Cl24 P16 Pd4 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.03","","","","0.0749","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067802","11.9315","0.0011","12.4707","0.0011","15.8027","0.0011","91.876","0.003","105.746","0.0019","112.566","0.003","2064.9","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 Cl F6 N P5 Pd -","- C41 H36 Cl F6 N P5 Pd -","- C82 H72 Cl2 F12 N2 P10 Pd2 -","2","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0452","","","","0.1151","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067803","15.072","0.004","15.753","0.004","15.813","0.004","117.773","0.003","102.087","0.0004","107.32","0.0008","2889.5","1.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H59 Ag O10 P4 Pd S3 -","- C60 H57 Ag O10 P4 Pd S3 -","- C120 H114 Ag2 O20 P8 Pd2 S6 -","2","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0491","","","","0.1236","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067804","12.063","0.005","24.465","0.009","20.922","0.008","90","","92.1987","0.0011","90","","6170","4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H59 Cl12 O P4 Pd Rh -","- C53 H59 Cl12 O P4 Pd Rh -","- C212 H236 Cl48 O4 P16 Pd4 Rh4 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0835","","","","0.2045","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067805","12.242","0.004","15.428","0.005","17.398","0.006","90.395","0.004","108.107","0.004","109.157","0.0015","2928.5","1.7","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H63 Cl5 F6 O P5 Pd Rh -","- C54 H63 Cl5 F6 O P5 Pd Rh -","- C108 H126 Cl10 F12 O2 P10 Pd2 Rh2 -","2","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0748","","","","0.2489","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067806","12.38","0.002","14.534","0.003","17.841","0.003","80.825","0.004","75.642","0.005","79.221","0.004","3033.4","0.9","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H57 Cl9 F6 Ir P5 Pd -","- C52 H57 Cl9 F6 Ir P5 Pd -","- C104 H114 Cl18 F12 Ir2 P10 Pd2 -","2","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0267","","","","0.0633","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067807","23.354","0.005","15.269","0.003","18.148","0.004","90","","90","","90","","6471","2","168","2","168","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H70 Cl10 P4 Pd Rh2 -","- C61 H68 Cl10 P4 Pd Rh2 -","- C244 H272 Cl40 P16 Pd4 Rh8 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0394","","","","0.0959","","","","","","1.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067808","23.3745","0.0005","15.303","0.0004","18.1393","0.0004","90","","90","","90","","6488.4","0.3","168","2","168","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H70 Cl10 Ir2 P4 Pd -","- C61 H70 Cl10 Ir2 P4 Pd -","- C244 H280 Cl40 Ir8 P16 Pd4 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0252","","","","0.0527","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067809","23.3351","0.0007","15.3353","0.0004","18.1485","0.0006","90","","90","","90","","6494.5","0.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C61 H70 Cl10 Ir P4 Pd Rh -","- C61 H68 Cl10 Ir P4 Pd Rh -","- C244 H272 Cl40 Ir4 P16 Pd4 Rh4 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0302","","","","0.075","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067810","10.848","0.002","33.528","0.006","19.391","0.004","90","","94.726","0.003","90","","7029","2","153","3","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 Cl5 F6 O P5 Pd Rh2 -","- C62 H72 Cl5 F6 O P5 Pd Rh2 -","- C248 H288 Cl20 F24 O4 P20 Pd4 Rh8 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.7107","MoKα","","","0.0623","","","","0.1717","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067811","10.964","0.005","33.961","0.015","19.27","0.009","90","","94.775","0.004","90","","7150","6","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 Cl5 F6 Ir O P5 Pd Rh -","- C62 H72 Cl5 F6 Ir O P5 Pd Rh -","- C248 H288 Cl20 F24 Ir4 O4 P20 Pd4 Rh4 -","4","1","","Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center","Organometallics","2012","31","1","133","","10.1021/om2006744","","","0.71075","MoKα","","","0.0838","","","","0.2041","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067812","38.5337","0.0007","12.8379","0.0002","20.9599","0.0004","90","","97.235","0.001","90","","10286.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H80 N4 Ni P4 -","- C52 H80 N4 Ni P4 -","- C416 H640 N32 Ni8 P32 -","8","1","","Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan; Raugei, Simone; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.","Stabilization of Nickel Complexes with Ni0···H‒N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands","Organometallics","2012","31","1","144","","10.1021/om200709z","","","0.71073","MoKα","","0.2493","0.0701","","","0.0845","0.1286","","","","","","1.039","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067813","13.4155","0.0015","13.7624","0.0015","19.175","0.002","86.22","0.003","70.099","0.003","77.714","0.003","3252.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H86 B F4 N6 Ni P4 -","- C56 H86 B F4 N6 Ni P4 -","- C112 H172 B2 F8 N12 Ni2 P8 -","2","1","","Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan; Raugei, Simone; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.","Stabilization of Nickel Complexes with Ni0···H‒N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands","Organometallics","2012","31","1","144","","10.1021/om200709z","","","0.71073","MoKα","","0.1207","0.0942","","","0.2735","0.2999","","","","","","1.048","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067814","14.876","0.004","11.517","0.003","43.545","0.012","90","","91.718","0.007","90","","7457","3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C74 H111 B1.5 Co1.5 F6 N7 P6 -","- C74 H111 B1.5 Co1.5 F6 N7 P6 -","- C296 H444 B6 Co6 F24 N28 P24 -","4","1","","Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan; Raugei, Simone; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.","Stabilization of Nickel Complexes with Ni0···H‒N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands","Organometallics","2012","31","1","144","","10.1021/om200709z","","","0.71073","MoKα","","0.1575","0.0666","","","0.1093","0.1339","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067815","58.826","0.003","11.7374","0.0009","19.7396","0.0011","90","","97.174","0.005","90","","13522.8","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H67 F12 Mo2 N1.5 O0.25 P6 -","- C73 H66.5 F12 Mo2 N1.5 O0.25 P6 -","- C584 H532 F96 Mo16 N12 O2 P48 -","8","1","","Fitzgerald, Emma C.; Brown, Neil J.; Edge, Ruth; Helliwell, Madeleine; Roberts, Hannah N.; Tuna, Floriana; Beeby, Andrew; Collison, David; Low, Paul J.; Whiteley, Mark W.","Orbital Symmetry Control of Electronic Coupling in a Symmetrical, All-Carbon-Bridged “Mixed Valence” Compound: Synthesis, Spectroscopy, and Electronic Structure of [{Mo(dppe)(η-C7H7)}2(μ-C4)]n+(n= 0, 1, or 2)","Organometallics","2012","31","1","157","","10.1021/om200712m","","","0.71069","MoKα","","0.1306","0.0605","","","0.126","0.1403","","","","","","0.877","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067816","6.1016","0.0012","25.623","0.005","10.717","0.002","90","","96.53","0.03","90","","1664.6","0.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H43 Cl N4 O Pt -","- C36 H43 Cl N4 O Pt -","- C72 H86 Cl2 N8 O2 Pt2 -","2","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0508","0.047","","","0.1311","0.1375","","","","","","1.083","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067817","14.607","0.0009","15.8303","0.0009","18.8636","0.0011","90","","90","","90","","4361.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H51 Cl3 N4 Pt -","- C49 H51 Cl3 N4 Pt -","- C196 H204 Cl12 N16 Pt4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0348","0.0254","","","0.0577","0.0616","","","","","","1.035","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067818","49.081","0.01","6.2623","0.0013","10.855","0.002","90","","92.4","0.03","90","","3333.5","1.2","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 I N4 Pt -","- C36 H41 I N4 Pt -","- C144 H164 I4 N16 Pt4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0573","0.0471","","","0.091","0.0978","","","","","","1.082","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067819","14.769","0.003","16.384","0.003","18.93","0.004","90","","90","","90","","4580.6","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H59 I N4 Pt -","- C52 H59 I N4 Pt -","- C208 H236 I4 N16 Pt4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0674","0.0498","","","0.1003","0.1098","","","","","","1.047","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067820","6.3569","0.0006","22.374","0.002","24.541","0.003","90","","90","","90","","3490.4","0.6","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H47 F3 N4 O4 Pt S -","- C31 H47 F3 N4 O4 Pt S -","- C124 H188 F12 N16 O16 Pt4 S4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.1035","0.0508","","","0.0987","0.1182","","","","","","1.002","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067821","10.6347","0.0004","12.1232","0.0004","20.6502","0.0006","90","","90","","90","","2662.36","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl N3 O Pt -","- C31 H26 Cl N3 O Pt -","- C124 H104 Cl4 N12 O4 Pt4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0452","0.0318","","","0.0355","0.0363","","","","","","1.014","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067822","18.5489","0.0003","18.6181","0.0003","21.6897","0.0004","90.704","0.002","105.772","0.002","103.897","0.002","6973.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C127 H192 Al8 N16 -","- C126 H190 Al8 N16 -","- C252 H380 Al16 N32 -","2","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.111","0.0743","","","0.2259","0.254","","","","","","1.042","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067823","14.1228","0.0006","14.1451","0.0007","16.4352","0.0008","94.097","0.004","114.481","0.004","101.097","0.004","2889.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 Al4 N8 -","- C64 H64 Al4 N8 -","- C128 H128 Al8 N16 -","2","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.1278","0.0512","","","0.0921","0.1043","","","","","","0.837","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067824","14.9064","0.0004","21.999","0.0005","24.5843","0.0007","90","","100.04","0.003","90","","7938.4","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H96 Al4 N8 -","- C73 H88 Al4 N8 -","- C292 H352 Al16 N32 -","4","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.1666","0.0792","","","0.1762","0.2113","","","","","","0.957","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067825","13.0391","0.0004","13.7179","0.0005","14.6836","0.0004","71.654","0.003","65.387","0.003","62.212","0.003","2088.56","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H51.5 Al4 N8 -","- C40.5 H51.5 Al4 N8 -","- C81 H103 Al8 N16 -","2","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.0691","0.0468","","","0.1068","0.1157","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067826","15.0411","0.0004","15.6755","0.0005","21.7746","0.0006","89.763","0.002","77.295","0.002","87.019","0.002","5001.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C96.5 H122 Al5 N10 -","- C93.5 H115 Al5 N10 -","- C187 H230 Al10 N20 -","2","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.1221","0.0755","","","0.2118","0.2393","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067827","42.199","0.0012","14.019","0.0003","27.7014","0.0008","90","","101.977","0.003","90","","16031.1","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C87 H90 Al6 N10 -","- C87 H90 Al6 N10 -","- C696 H720 Al48 N80 -","8","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.0924","0.0536","","","0.142","0.1546","","","","","","1.03","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067828","26.8732","0.0007","15.3876","0.0003","19.2603","0.0009","90","","112.737","0.004","90","","7345.5","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H94 Al3 Cl7 N8 -","- C63 H94 Al3 Cl7 N8 -","- C252 H376 Al12 Cl28 N32 -","4","0.5","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.0646","0.0461","","","0.1164","0.1283","","","","","","1.042","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067829","14.8034","0.0005","15.4522","0.0006","17.9574","0.0006","105.641","0.003","108.308","0.003","104.256","0.003","3500.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H84 Al3 Cl5 N6 -","- C71 H84 Al3 Cl5 N6 -","- C142 H168 Al6 Cl10 N12 -","2","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.0818","0.0467","","","0.1221","0.1312","","","","","","0.969","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067830","8.203","0.0004","9.3135","0.0004","13.9156","0.0006","85.993","0.004","88.458","0.004","89.708","0.004","1060.14","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Al Cl3 N2 -","- C19 H24 Al Cl3 N2 -","- C38 H48 Al2 Cl6 N4 -","2","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.0619","0.0355","","","0.0789","0.0852","","","","","","0.984","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067831","8.4839","0.0009","10.0382","0.0008","10.3193","0.0009","103.036","0.007","114.029","0.009","97.801","0.008","755.97","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Al Cl3 N2 -","- C13 H12 Al Cl3 N2 -","- C26 H24 Al2 Cl6 N4 -","2","1","","Maheswari, K.; Reddy, N. Dastagiri","Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles","Organometallics","2012","31","1","197","","10.1021/om2007375","","","0.71073","MoKα","","0.0986","0.0549","","","0.1205","0.1285","","","","","","1.086","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067832","28.4705","0.001","9.0217","0.0003","27.1319","0.0014","90","","118.75","0.001","90","","6109.8","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Br F5 N P Pt -","- C34 H28 Br F5 N P Pt -","- C272 H224 Br8 F40 N8 P8 Pt8 -","8","1","","Wang, Tongen; Keyes, Lauren; Patrick, Brian O.; Love, Jennifer A.","Exploration of the Mechanism of Platinum(II)-Catalyzed C‒F Activation: Characterization and Reactivity of Platinum(IV) Fluoroaryl Complexes Relevant to Catalysis","Organometallics","2012","31","4","1397","","10.1021/om2007562","","","0.71073","MoKα","","0.0321","0.0246","","","0.0523","0.0544","","","","","","1.038","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067833","9.4945","0.0007","18.1068","0.0011","18.377","0.001","90","","90.972","0.003","90","","3158.8","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 Br F N2 P Pt -","- C36 H35 Br F N2 P Pt -","- C144 H140 Br4 F4 N8 P4 Pt4 -","4","1","","Wang, Tongen; Keyes, Lauren; Patrick, Brian O.; Love, Jennifer A.","Exploration of the Mechanism of Platinum(II)-Catalyzed C‒F Activation: Characterization and Reactivity of Platinum(IV) Fluoroaryl Complexes Relevant to Catalysis","Organometallics","2012","31","4","1397","","10.1021/om2007562","","","0.71073","MoKα","","0.0593","0.0378","","","0.0848","0.0914","","","","","","1.109","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067834","10.0665","0.0011","10.9552","0.0013","14.784","0.0016","90.901","0.005","90.954","0.005","111.464","0.005","1516.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 F4 N P Pt -","- C35 H32 F4 N P Pt -","- C70 H64 F8 N2 P2 Pt2 -","2","1","","Wang, Tongen; Keyes, Lauren; Patrick, Brian O.; Love, Jennifer A.","Exploration of the Mechanism of Platinum(II)-Catalyzed C‒F Activation: Characterization and Reactivity of Platinum(IV) Fluoroaryl Complexes Relevant to Catalysis","Organometallics","2012","31","4","1397","","10.1021/om2007562","","","0.71073","MoKα","","0.0171","0.0156","","","0.0366","0.0372","","","","","","1.077","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067835","17.29","0.005","9.934","0.003","25.343","0.008","90","","97.758","0.005","90","","4313","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H41 N4 O5 Rh -","- C55 H41 N4 O5 Rh -","- C220 H164 N16 O20 Rh4 -","4","1","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.1371","0.0774","","","0.1952","0.2375","","","","","","1.097","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067836","12.1714","0.0007","14.5554","0.0009","15.0768","0.001","91.655","0.001","112.071","0.001","108.896","0.001","2307.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H29 F12 N4 O Rh -","- C55 H29 F12 N4 O Rh -","- C110 H58 F24 N8 O2 Rh2 -","2","1","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.0579","0.0469","","","0.1249","0.1367","","","","","","1.03","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067837","29.156","0.003","17.0981","0.0018","19.866","0.002","90","","107.428","0.002","90","","9448.8","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H39 N4 O Rh -","- C50 H39 N4 O Rh -","- C400 H312 N32 O8 Rh8 -","8","1","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.0677","0.0477","","","0.1291","0.1375","","","","","","1.008","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067838","22.688","0.006","13.692","0.003","31.635","0.008","90","","102.011","0.004","90","","9612","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H43 N4 O Rh -","- C52 H43 N4 O Rh -","- C416 H344 N32 O8 Rh8 -","8","1","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.0562","0.041","","","0.1061","0.1129","","","","","","1.043","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067839","13.8403","0.0015","24.524","0.003","15.62","0.0017","90","","95.666","0.002","90","","5275.8","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H49 N4 O2 Rh -","- C56 H49 N4 O2 Rh -","- C224 H196 N16 O8 Rh4 -","4","1","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.0983","0.0731","","","0.1911","0.2057","","","","","","1.067","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067840","21.897","0.003","25.195","0.003","17.378","0.003","90","","90","","90","","9587","2","123","2","123","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H47 N4 O2 Rh -","- C55 H47 N4 O2 Rh -","- C440 H376 N32 O16 Rh8 -","8","1","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.0847","0.0697","","","0.1914","0.2029","","","","","","1.097","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067841","12.713","0.002","13.353","0.002","15.503","0.003","83.385","0.003","71.674","0.003","83.365","0.003","2472.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H43 N4 O Rh -","- C56 H43 N4 O Rh -","- C112 H86 N8 O2 Rh2 -","2","1","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.1681","0.0819","","","0.2312","0.2906","","","","","","1.017","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067842","12.318","0.0004","17.2038","0.0006","12.0957","0.0004","90","","97.676","0.001","90","","2540.31","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C57 H45 N4 O Rh -","- C57 H45 N4 O Rh -","- C114 H90 N8 O2 Rh2 -","2","0.5","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.0611","0.0566","","","0.1616","0.1684","","","","","","1.126","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067843","16.2833","0.0002","15.5893","0.0002","25.8409","0.0003","90","","93.97","0.001","90","","6543.85","0.14","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H41 B Cl2 F24 N9 O P Pt -","- C60 H41 B Cl2 F24 N9 O P Pt -","- C240 H164 B4 Cl8 F96 N36 O4 P4 Pt4 -","4","1","","Frauhiger, Bryan E.; White, Peter S.; Templeton, Joseph L.","C‒H and C‒C Bond Formation Promoted by Facile κ3/κ2Interconversions in a Hemilabile “Click”-Triazole Scorpionate Platinum System","Organometallics","2012","31","1","225","","10.1021/om2007997","","","1.54178","CuKα","","0.028","0.0273","","","0.0667","0.0672","","","","","","1.073","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067844","13.5319","0.0016","9.1853","0.0007","17.734","0.002","90","","110.168","0.009","90","","2069.1","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 Te -","- C24 H24 N2 Te -","- C96 H96 N8 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","New Series of Intramolecularly Coordinated Diaryltellurium Compounds. Rational Synthesis of the Diarylhydroxytelluronium Triflate [(8-Me2NC10H6)2Te(OH)](O3SCF3)","Organometallics","2012","31","1","238","","10.1021/om2008259","","","0.71073","MoKα","","0.0624","0.0277","","","0.0535","0.0579","","","","","","0.812","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067845","9.577","0.007","23.245","0.009","10.46","0.006","90","","106.92","0.05","90","","2228","2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O5 Te -","- C24 H24 N2 O5 Te -","- C96 H96 N8 O20 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","New Series of Intramolecularly Coordinated Diaryltellurium Compounds. Rational Synthesis of the Diarylhydroxytelluronium Triflate [(8-Me2NC10H6)2Te(OH)](O3SCF3)","Organometallics","2012","31","1","238","","10.1021/om2008259","","","0.71073","MoKα","","0.1928","0.0457","","","0.0623","0.1069","","","","","","0.862","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067846","9.566","0.0016","23.122","0.003","10.4331","0.0016","90","","106.51","0.012","90","","2212.5","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O4 Te -","- C24 H24 N2 O4 Te -","- C96 H96 N8 O16 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","New Series of Intramolecularly Coordinated Diaryltellurium Compounds. Rational Synthesis of the Diarylhydroxytelluronium Triflate [(8-Me2NC10H6)2Te(OH)](O3SCF3)","Organometallics","2012","31","1","238","","10.1021/om2008259","","","0.71073","MoKα","","0.1287","0.0528","","","0.0982","0.1238","","","","","","0.876","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067847","9.982","0.005","9.237","0.009","28.559","0.018","90","","107.19","0.05","90","","2516","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F3 N2 O4 S Te -","- C25 H25 F3 N2 O4 S Te -","- C100 H100 F12 N8 O16 S4 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","New Series of Intramolecularly Coordinated Diaryltellurium Compounds. Rational Synthesis of the Diarylhydroxytelluronium Triflate [(8-Me2NC10H6)2Te(OH)](O3SCF3)","Organometallics","2012","31","1","238","","10.1021/om2008259","","","0.71073","MoKα","","0.1295","0.0536","","","0.092","0.1171","","","","","","0.867","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067848","10.7285","0.0003","14.9875","0.0004","13.2512","0.0003","90","","95.157","0.002","90","","2122.08","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 B0 P -","- C25 H23 B P2 -","- C100 H92 B4 P8 -","4","1","","Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse","Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions","Organometallics","2012","31","3","857","","10.1021/om2008265","","","0.71073","MoKα","","0.0477","0.0348","","","0.0953","0.102","","","","","","1.058","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067849","6.905","","11.867","","13.532","","69.43","","76.71","","83.3","","1009.55","","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 B P2 -","- C21 H27 B P2 -","- C42 H54 B2 P4 -","2","1","","Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse","Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions","Organometallics","2012","31","3","857","","10.1021/om2008265","","","0.71073","MoKα","","0.0565","0.0451","","","0.1151","0.1257","","","","","","1.145","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067850","21.7995","0.0006","10.3959","0.0003","18.0133","0.0005","90","","102.674","0.003","90","","3982.8","0.2","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 P2 -","- C25 H20 P2 -","- C200 H160 P16 -","8","2","","Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse","Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions","Organometallics","2012","31","3","857","","10.1021/om2008265","","","0.71073","MoKα","","0.0625","0.0403","","","0.0945","0.1024","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067851","12.7465","0.0013","29.866","0.003","6.0097","0.0005","90","","90","","90","","2287.8","0.4","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H40 P2 -","- C29 H24 P2 -","- C116 H96 P8 -","4","1","","Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse","Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions","Organometallics","2012","31","3","857","","10.1021/om2008265","","","0.71073","MoKα","","0.1851","0.1525","","","0.3339","0.3495","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067852","10.5502","0.0004","11.3776","0.0004","14.6834","0.0006","86.543","0.003","76.688","0.003","84.72","0.003","1706.51","0.11","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H39 B2 F4 P2 Rh -","- C37 H39 B2 F4 P2 Rh -","- C74 H78 B4 F8 P4 Rh2 -","2","1","","Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse","Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions","Organometallics","2012","31","3","857","","10.1021/om2008265","","","0.71073","MoKα","","0.0509","0.0379","","","0.0957","0.103","","","","","","1.046","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067853","10.7297","0.0007","10.9416","0.0007","14.2511","0.0009","95.701","0.005","93.508","0.005","95.731","0.005","1652.21","0.19","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H41 B2 Cl2 F4 P2 Rh -","- C30 H41 B2 Cl2 F4 P2 Rh -","- C60 H82 B4 Cl4 F8 P4 Rh2 -","2","1","","Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse","Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions","Organometallics","2012","31","3","857","","10.1021/om2008265","","","0.71073","MoKα","","0.062","0.0395","","","0.0869","0.0931","","","","","","0.945","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067854","30.494","0.002","11.1789","0.0007","22.9459","0.0014","90","","91.76","0.005","90","","7818.3","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H57 Ge O0.5 P2 S2 Si4 -","- C30 H57 Ge O0.5 P2 S2 Si4 -","- C240 H456 Ge8 O4 P16 S16 Si32 -","8","1","","Izod, Keith; Clark, Ewan R.; Clegg, William; Harrington, Ross W.","Hypervalent Sulfur-Functionalized Diphosphagermylene and Diphosphastannylene Compounds","Organometallics","2012","31","1","246","","10.1021/om2008327","","","0.71073","MoKα","","0.1688","0.0614","","","0.058","0.0676","","","","","","0.955","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067855","16.9798","0.0015","11.0771","0.001","23.0424","0.0018","90","","99.466","0.008","90","","4275","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H62 O P2 S2 Si4 Sn -","- C32 H62 O P2 S2 Si4 Sn -","- C128 H248 O4 P8 S8 Si16 Sn4 -","4","1","","Izod, Keith; Clark, Ewan R.; Clegg, William; Harrington, Ross W.","Hypervalent Sulfur-Functionalized Diphosphagermylene and Diphosphastannylene Compounds","Organometallics","2012","31","1","246","","10.1021/om2008327","","","0.71073","MoKα","","0.1001","0.0596","","","0.1594","0.1694","","","","","","0.997","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067856","10.4746","0.0002","21.3062","0.0004","18.4807","0.0003","90","","102.312","0.0019","90","","4029.56","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H59 P2 S2 Si4 Sn -","- C31 H59 P2 S2 Si4 Sn -","- C124 H236 P8 S8 Si16 Sn4 -","4","1","","Izod, Keith; Clark, Ewan R.; Clegg, William; Harrington, Ross W.","Hypervalent Sulfur-Functionalized Diphosphagermylene and Diphosphastannylene Compounds","Organometallics","2012","31","1","246","","10.1021/om2008327","","","0.71073","MoKα","","0.0387","0.023","","","0.0478","0.0495","","","","","","0.902","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067857","9.6864","0.0004","8.3921","0.0003","23.1898","0.0012","90","","94.973","0.004","90","","1877.99","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl3 Li O5 Sn -","- C12 H24 Cl3 Li O5 Sn -","- C48 H96 Cl12 Li4 O20 Sn4 -","4","1","","Izod, Keith; Clark, Ewan R.; Clegg, William; Harrington, Ross W.","Hypervalent Sulfur-Functionalized Diphosphagermylene and Diphosphastannylene Compounds","Organometallics","2012","31","1","246","","10.1021/om2008327","","","0.71073","MoKα","","0.0342","0.0232","","","0.0534","0.0556","","","","","","1.02","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067858","19.6717","0.0007","11.3658","0.0004","15.8141","0.0005","90","","91.836","0.003","90","","3534","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 P2 S2 Si4 -","- C28 H52 P2 S2 Si4 -","- C112 H208 P8 S8 Si16 -","4","1","","Izod, Keith; Clark, Ewan R.; Clegg, William; Harrington, Ross W.","Hypervalent Sulfur-Functionalized Diphosphagermylene and Diphosphastannylene Compounds","Organometallics","2012","31","1","246","","10.1021/om2008327","","","0.71073","MoKα","","0.0533","0.0477","","","0.1152","0.1195","","","","","","1.061","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067859","33.935","0.005","33.935","0.005","112.33","0.02","90","","90","","120","","112027","3","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C342 H359 Ag16 Cl5 Cu9 O20 P9 -","- C341.91 H351 Ag16 Cu9 P9 -","- C4102.92 H4212 Ag192 Cu108 P108 -","12","0.333333","","Chen, Zhong-Hui; Zhang, Li-Yi; Chen, Zhong-Ning","Structural Characterization and Luminescence Properties of a Triphosphine-Stabilized Ag16Cu9Heterometallic Alkynyl Cluster","Organometallics","2012","31","1","256","","10.1021/om200836k","","","0.8","","","0.1325","0.1041","","","0.2423","0.2567","","","","","","1.193","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067860","5.982","0.0002","7.6731","0.0003","35.2705","0.0015","90","","90.562","0.002","90","","1618.86","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Ag2 Cl2 N4 O -","- C12 H18 Ag2 Cl2 N4 O -","- C48 H72 Ag8 Cl8 N16 O4 -","4","1","","Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Neutral and Cationic Tridentate Bis(N-heterocyclic carbene) Ether Ruthenium Alkylidene Complexes in Metathesis","Organometallics","2012","31","2","580","","10.1021/om200848d","","","0.71073","MoKα","","0.1102","0.1046","","","0.2004","0.2036","","","","","","1.066","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067861","18.4269","0.0014","12.7319","0.0009","14.8172","0.001","90","","108.93","0.003","90","","3288.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cl4 N4 O P Ru -","- C31 H35 Cl4 N4 O P Ru -","- C124 H140 Cl16 N16 O4 P4 Ru4 -","4","1","","Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Neutral and Cationic Tridentate Bis(N-heterocyclic carbene) Ether Ruthenium Alkylidene Complexes in Metathesis","Organometallics","2012","31","2","580","","10.1021/om200848d","","","0.71073","MoKα","","0.1045","0.0866","","","0.1977","0.2079","","","","","","1.18","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067862","8.452","0.005","22.009","0.005","13.024","0.005","90","0.005","98.974","0.005","90","0.005","2393.1","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl4 N4 O Ru -","- C20 H26 Cl4 N4 O Ru -","- C80 H104 Cl16 N16 O4 Ru4 -","4","1","","Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Neutral and Cationic Tridentate Bis(N-heterocyclic carbene) Ether Ruthenium Alkylidene Complexes in Metathesis","Organometallics","2012","31","2","580","","10.1021/om200848d","","","0.71073","MoKα","","0.0734","0.0398","","","0.0765","0.0871","","","","","","1.019","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067863","7.8822","0.0006","9.7102","0.0008","13.6698","0.0011","89.616","0.005","82.415","0.005","76.296","0.005","1007.25","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H24 Cl2 N4 O Ru -","- C19 H24 Cl2 N4 O Ru -","- C38 H48 Cl4 N8 O2 Ru2 -","2","1","","Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Neutral and Cationic Tridentate Bis(N-heterocyclic carbene) Ether Ruthenium Alkylidene Complexes in Metathesis","Organometallics","2012","31","2","580","","10.1021/om200848d","","","0.71073","MoKα","","0.097","0.0593","","","0.1481","0.1676","","","","","","1.046","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067864","10.8202","0.001","13.4675","0.0012","25.998","0.002","90","","96.299","0.004","90","","3765.6","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H48 B2 Cl4 F30 N8 O2 Ru2 -","- C74 H48 B2 Cl4 F30 N8 O2 Ru2 -","- C148 H96 B4 Cl8 F60 N16 O4 Ru4 -","2","0.5","","Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Neutral and Cationic Tridentate Bis(N-heterocyclic carbene) Ether Ruthenium Alkylidene Complexes in Metathesis","Organometallics","2012","31","2","580","","10.1021/om200848d","","","0.71073","MoKα","","0.0694","0.0516","","","0.141","0.1532","","","","","","1.031","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067865","9.7516","0.0002","15.3223","0.0002","18.6487","0.0004","114.2","0.002","90.494","0.002","106.366","0.002","2413.93","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H53 N O5 P2 Pd -","- C56 H53 N O5 P2 Pd -","- C112 H106 N2 O10 P4 Pd2 -","2","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes","Organometallics","2012","31","2","588","","10.1021/om200849n","","","0.71073","MoKα","","0.0373","0.0284","","","0.072","0.0738","","","","","","1.048","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067866","8.6025","0.0002","9.8853","0.0003","22.1723","0.0006","102.603","0.002","93.391","0.002","92.431","0.002","1833.88","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 N O4 P2 Pd -","- C38 H37 N O4 P2 Pd -","- C76 H74 N2 O8 P4 Pd2 -","2","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes","Organometallics","2012","31","2","588","","10.1021/om200849n","","","0.71073","MoKα","","0.0673","0.0455","","","0.101","0.1055","","","","","","0.943","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067867","12.19","0.004","12.59","0.002","13.333","0.003","67.93","0.005","76.261","0.012","61.17","0.01","1657.3","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74 N2 O8 P3 Pd2 -","- C76 H74 N2 O8 P4 Pd2 -","- C76 H74 N2 O8 P4 Pd2 -","1","0.5","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes","Organometallics","2012","31","2","588","","10.1021/om200849n","","","0.71073","MoKα","","0.0369","0.0269","","","0.0627","0.0656","","","","","","1.016","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067868","9.4951","0.0003","14.3559","0.0005","18.8085","0.0007","84.034","0.002","80.54","0.002","73.842","0.002","2424.45","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H49 Cl N O4 P2 Pd -","- C58 H48 Cl N O4 P2 Pd -","- C116 H96 Cl2 N2 O8 P4 Pd2 -","2","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes","Organometallics","2012","31","2","588","","10.1021/om200849n","","","0.71073","MoKα","","0.0364","0.029","","","0.087","0.0933","","","","","","1.052","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067869","9.6523","0.0004","14.5248","0.0007","18.521","0.0009","84.013","0.002","81.214","0.002","74.762","0.001","2470.3","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H48 N2 O6 P2 Pd -","- C58 H48 N2 O6 P2 Pd -","- C116 H96 N4 O12 P4 Pd2 -","2","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes","Organometallics","2012","31","2","588","","10.1021/om200849n","","","0.71073","MoKα","","0.0446","0.0367","","","0.0955","0.1018","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4067870","23.3448","0.0009","9.6937","0.0003","19.6595","0.0007","90","","92.46","0.002","90","","4444.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 N O5 P2 Pd -","- C52 H43 N O5 P2 Pd -","- C208 H172 N4 O20 P8 Pd4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes","Organometallics","2012","31","2","588","","10.1021/om200849n","","","0.71073","MoKα","","0.0331","0.0274","","","0.0628","0.0653","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4067871","47.8785","0.0016","9.8204","0.0004","19.4453","0.0007","90","","108.515","0.001","90","","8669.7","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 N O4 P2 Pd -","- C51 H41 N O4 P2 Pd -","- C408 H328 N8 O32 P16 Pd8 -","8","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes","Organometallics","2012","31","2","588","","10.1021/om200849n","","","0.71073","MoKα","","0.0251","0.0215","","","0.0523","0.0546","","","","","","1.061","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067872","12.1126","0.0007","14.4046","0.0008","14.4964","0.0008","90","","90.566","0.001","90","","2529.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","unimc13","","","- C24 H34 Cl4 Ru2 -","- C24 H34 Cl4 Ru2 -","- C96 H136 Cl16 Ru8 -","4","1","","Fier, Patrick S.; Reinig, Regina R.; King, Janeth; Dickerson, Christopher; Chin, Robert M.; Doucouré, Mantia; Brennessel, William","Selective Dialkylation of a Doubly Linked Dicyclopentadiene Ligand and the Ensuing Ruthenium Complexes","Organometallics","2012","31","1","261","","10.1021/om200854n","","","0.71073","MoKα","","0.0615","0.0399","","","0.0775","0.0853","","","","","","1.031","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067873","13.441","0.004","17.036","0.005","19.978","0.006","110.431","0.005","107.181","0.005","94.532","0.005","4010","2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","unimc15","","","- C34 H49 Cl4 N5 Ru2 Zn -","- C34 H49 Cl4 N5 Ru2 Zn -","- C136 H196 Cl16 N20 Ru8 Zn4 -","4","2","","Fier, Patrick S.; Reinig, Regina R.; King, Janeth; Dickerson, Christopher; Chin, Robert M.; Doucouré, Mantia; Brennessel, William","Selective Dialkylation of a Doubly Linked Dicyclopentadiene Ligand and the Ensuing Ruthenium Complexes","Organometallics","2012","31","1","261","","10.1021/om200854n","","","0.71073","MoKα","","0.1521","0.075","","","0.1882","0.2336","","","","","","1.018","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067874","10.0768","0.0006","14.6139","0.0008","21.3322","0.0012","76.467","0.002","76.789","0.001","70.187","0.002","2834.9","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H31 B Br Cr N6 S3 -","- C22 H31 B Br Cr N6 S3 -","- C88 H124 B4 Br4 Cr4 N24 S12 -","4","2","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich Cp*Cr Complexes Containing Poly(methimazolyl)borates (Cp* = C5Me5): Syntheses and Structural and Electrochemical Studies","Organometallics","2012","31","1","273","","10.1021/om2008666","","","0.71073","MoKα","","0.1428","0.0853","","","0.1871","0.2159","","","","","","1.055","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067875","28.3957","0.0016","11.6257","0.0006","20.392","0.0011","90","","131.628","0.002","90","","5031.8","0.5","223","2","223","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C19 H29.5 B Br Cr N4 O0.25 S2 -","- C19 H29.5 B Br Cr N4 O0.25 S2 -","- C152 H236 B8 Br8 Cr8 N32 O2 S16 -","8","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich Cp*Cr Complexes Containing Poly(methimazolyl)borates (Cp* = C5Me5): Syntheses and Structural and Electrochemical Studies","Organometallics","2012","31","1","273","","10.1021/om2008666","","","0.71073","MoKα","","0.1291","0.0899","","","0.2089","0.2329","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067876","16.9441","0.0005","10.8424","0.0003","27.3449","0.0008","90","","98.903","0.001","90","","4963.1","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 B Br Cr N6 S2 -","- C21 H29 B Br Cr N6 S2 -","- C168 H232 B8 Br8 Cr8 N48 S16 -","8","2","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich Cp*Cr Complexes Containing Poly(methimazolyl)borates (Cp* = C5Me5): Syntheses and Structural and Electrochemical Studies","Organometallics","2012","31","1","273","","10.1021/om2008666","","","0.71073","MoKα","","0.1055","0.0917","","","0.189","0.1955","","","","","","1.29","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067877","16.7803","0.0008","15.3114","0.0007","14.9394","0.0007","90","","111.748","0.001","90","","3565.2","0.3","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 B Cr F6 N6 O P S2 -","- C26 H43 B Cr F6 N6 O P S2 -","- C104 H172 B4 Cr4 F24 N24 O4 P4 S8 -","4","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich Cp*Cr Complexes Containing Poly(methimazolyl)borates (Cp* = C5Me5): Syntheses and Structural and Electrochemical Studies","Organometallics","2012","31","1","273","","10.1021/om2008666","","","0.71073","MoKα","","0.061","0.0536","","","0.1276","0.1321","","","","","","1.138","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067878","23.0271","0.0011","18.2357","0.0009","15.2357","0.0007","90","","129.698","0.001","90","","4922.5","0.4","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 B Cr F6 N4 P S2 -","- C18 H27 B Cr F6 N4 P S2 -","- C144 H216 B8 Cr8 F48 N32 P8 S16 -","8","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich Cp*Cr Complexes Containing Poly(methimazolyl)borates (Cp* = C5Me5): Syntheses and Structural and Electrochemical Studies","Organometallics","2012","31","1","273","","10.1021/om2008666","","","0.71073","MoKα","","0.085","0.0655","","","0.1665","0.1799","","","","","","1.029","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067879","12.4508","0.0006","8.9491","0.0004","27.4984","0.0013","90","","96.305","0.001","90","","3045.4","0.2","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 B Cr F6 N7 P S2 -","- C23 H32 B Cr F6 N7 P S2 -","- C92 H128 B4 Cr4 F24 N28 P4 S8 -","4","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich Cp*Cr Complexes Containing Poly(methimazolyl)borates (Cp* = C5Me5): Syntheses and Structural and Electrochemical Studies","Organometallics","2012","31","1","273","","10.1021/om2008666","","","0.71073","MoKα","","0.0575","0.0478","","","0.1172","0.1229","","","","","","1.072","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067880","10.3588","0.0003","14.6446","0.0004","13.8385","0.0004","90","","100.118","0.001","90","","2066.66","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Al N3 -","- C20 H32 Al N3 -","- C80 H128 Al4 N12 -","4","1","","Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan","Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation","Organometallics","2012","31","2","637","","10.1021/om200878e","","","0.71073","MoKα","","0.0608","0.0404","","","0.0917","0.101","","","","","","1.025","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067881","9.6263","0.0004","13.808","0.0004","21.7929","0.0008","90","","93.143","0.002","90","","2892.35","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Al N4 O -","- C29 H43 Al N4 O -","- C116 H172 Al4 N16 O4 -","4","1","","Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan","Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation","Organometallics","2012","31","2","637","","10.1021/om200878e","","","0.71073","MoKα","","0.0663","0.0474","","","0.1143","0.1273","","","","","","1.009","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067882","10.3063","0.0002","11.376","0.0002","15.3201","0.0003","89.29","0.001","89.348","0.001","72.542","0.001","1713.27","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Al N5 -","- C34 H58 Al N5 -","- C68 H116 Al2 N10 -","2","1","","Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan","Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation","Organometallics","2012","31","2","637","","10.1021/om200878e","","","0.71073","MoKα","","0.0722","0.0476","","","0.1111","0.1212","","","","","","1.063","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067883","11.6662","0.0006","16.4421","0.0008","15.8731","0.0008","90","","100.599","0.002","90","","2992.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 B N3 -","- C36 H42 B N3 -","- C144 H168 B4 N12 -","4","1","","Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan","Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation","Organometallics","2012","31","2","637","","10.1021/om200878e","","","0.71073","MoKα","","0.0993","0.0525","","","0.1043","0.1239","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067884","9.3521","0.0005","20.4369","0.0012","19.4853","0.0013","90","","95.189","0.005","90","","3708.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 B N4 O -","- C44 H49 B N4 O -","- C176 H196 B4 N16 O4 -","4","1","","Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan","Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation","Organometallics","2012","31","2","637","","10.1021/om200878e","","","0.71073","MoKα","","0.0947","0.0533","","","0.1035","0.1212","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067885","13.5261","0.0003","13.5261","0.0003","21.1284","0.001","90","","90","","90","","3865.6","0.2","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H56 Al N5 O3 -","- C36 H46 Al N5 O2 -","- C144 H184 Al4 N20 O8 -","4","1","","Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan","Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation","Organometallics","2012","31","2","637","","10.1021/om200878e","","","0.71073","MoKα","","0.1804","0.0964","","","0.2139","0.2368","","","","","","1.07","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067886","8.1885","0.0006","20.5473","0.0013","20.8831","0.001","90","","95.301","0.005","90","","3498.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 F12 N8 Ni P2 -","- C30 H28 F12 N8 Ni P2 -","- C120 H112 F48 N32 Ni4 P8 -","4","1","","Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi","Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes","Organometallics","2012","31","1","282","","10.1021/om200881s","","","1.54178","CuKα","","0.0812","0.072","","","0.1974","0.2078","","","","","","1.045","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067887","14.5148","0.0003","16.2759","0.0003","24.885","0.0005","90","","95.664","0.002","90","","5850.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 F12 N16 Ni P2 -","- C54 H48 F12 N16 Ni P2 -","- C216 H192 F48 N64 Ni4 P8 -","4","1","","Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi","Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes","Organometallics","2012","31","1","282","","10.1021/om200881s","","","0.71073","MoKα","","0.0784","0.0587","","","0.1597","0.1723","","","","","","1.047","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067888","8.9482","0.0006","10.0347","0.0008","11.5888","0.0008","72.059","0.007","84.31","0.006","67.579","0.007","914.95","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cl F6 N4 P Pd -","- C15 H14 Cl F6 N4 P Pd -","- C30 H28 Cl2 F12 N8 P2 Pd2 -","2","1","","Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi","Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes","Organometallics","2012","31","1","282","","10.1021/om200881s","","","1.54178","CuKα","","0.0516","0.0487","","","0.1323","0.1361","","","","","","1.049","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067889","11.4331","0.0008","11.9186","0.0004","12.5722","0.0005","107.773","0.003","93.729","0.004","97.765","0.004","1606.16","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H27 Cl F6 N9 P Pd -","- C29 H27 Cl F6 N9 P Pd -","- C58 H54 Cl2 F12 N18 P2 Pd2 -","2","1","","Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi","Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes","Organometallics","2012","31","1","282","","10.1021/om200881s","","","0.71073","MoKα","","0.0539","0.0397","","","0.0853","0.0946","","","","","","1.05","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067890","11.4204","0.0005","11.9366","0.0005","12.5818","0.0005","107.726","0.004","93.539","0.004","97.858","0.004","1608.65","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H27 Cl F6 N9 P Pt -","- C29 H27 Cl F6 N9 P Pt -","- C58 H54 Cl2 F12 N18 P2 Pt2 -","2","1","","Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi","Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes","Organometallics","2012","31","1","282","","10.1021/om200881s","","","0.71073","MoKα","","0.0437","0.0328","","","0.066","0.0709","","","","","","1.025","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067891","24.521","0.003","12.3041","0.001","19.672","0.002","90","","104.803","0.007","90","","5738.2","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Co F18 N16 P3 -","- C54 H48 Co F18 N16 P3 -","- C216 H192 Co4 F72 N64 P12 -","4","0.5","","Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi","Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes","Organometallics","2012","31","1","282","","10.1021/om200881s","","","0.71073","MoKα","","0.0805","0.0687","","","0.1892","0.202","","","","","","1.061","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067892","8.125","0.0003","14.2921","0.0005","23.9513","0.0008","90","","94.439","0.003","90","","2772.96","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl F6 N6 P Ru -","- C23 H24 Cl F6 N6 P Ru -","- C92 H96 Cl4 F24 N24 P4 Ru4 -","4","1","","Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi","Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes","Organometallics","2012","31","1","282","","10.1021/om200881s","","","0.71073","MoKα","","0.0677","0.0515","","","0.1311","0.1423","","","","","","1.073","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067893","9.7276","0.0002","11.2587","0.0002","21.964","0.0005","78.6497","0.0007","87.4688","0.0007","84.6684","0.0008","2347.43","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H56 O Zr -","- C60 H56 O Zr -","- C120 H112 O2 Zr2 -","2","1","","Manz, Thomas A.; Caruthers, James M.; Sharma, Shalini; Phomphrai, Khamphee; Thomson, Kendall T.; Delgass, W. Nicholas; Abu-Omar, Mahdi M.","Structure‒Activity Correlation for Relative Chain Initiation to Propagation Rates in Single-Site Olefin Polymerization Catalysis","Organometallics","2012","31","2","602","","10.1021/om200884x","","","0.71073","MO-Kα","","0.05","0.037","","","0.086","0.09","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067894","10.9415","0.0007","27.5346","0.0018","12.2533","0.0005","90","","101.981","0.004","90","","3611.1","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H39 Cl2 O Zr -","- C43 H39 Cl2 O Zr -","- C172 H156 Cl8 O4 Zr4 -","4","2","","Manz, Thomas A.; Caruthers, James M.; Sharma, Shalini; Phomphrai, Khamphee; Thomson, Kendall T.; Delgass, W. Nicholas; Abu-Omar, Mahdi M.","Structure‒Activity Correlation for Relative Chain Initiation to Propagation Rates in Single-Site Olefin Polymerization Catalysis","Organometallics","2012","31","2","602","","10.1021/om200884x","","","0.71073","MO-Kα","","0.075","0.056","","","0.131","0.142","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067895","11.3914","0.0005","25.2126","0.001","11.5847","0.0005","90","","114.31","0.002","90","","3032.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 B F17 P -","- C29 H24 B F17 P -","- C116 H96 B4 F68 P4 -","4","1","","Caputo, Christopher B.; Stephan, Douglas W.","Activation of Alkyl C‒F Bonds by B(C6F5)3: Stoichiometric and Catalytic Transformations","Organometallics","2012","31","1","27","","10.1021/om200885c","","","0.71073","MoKα","","0.1025","0.0677","","","0.1895","0.2165","","","","","","1.037","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067896","11.7609","0.0003","24.5495","0.0006","12.6226","0.0003","90","","114.154","0.001","90","","3325.37","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 B F17 P -","- C33 H33 B F17 P -","- C132 H132 B4 F68 P4 -","4","1","","Caputo, Christopher B.; Stephan, Douglas W.","Activation of Alkyl C‒F Bonds by B(C6F5)3: Stoichiometric and Catalytic Transformations","Organometallics","2012","31","1","27","","10.1021/om200885c","","","0.71073","MoKα","","0.0571","0.038","","","0.0869","0.0952","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067897","10.811","0.0009","20.7384","0.0018","14.2736","0.0012","90","","99.331","0.002","90","","3157.8","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5b in manuscript","","","- C14 H20 Au Cl N2 O2 -","- C14 H20 Au0.9999 Cl N2 O2 -","- C112 H160 Au7.9992 Cl8 N16 O16 -","8","2","","Hashmi, A. Stephen K.; Yu, Yang; Rominger, Frank","Efficient One-Pot Synthesis of Unsymmetrical Gold(I) N-Heterocyclic Carbene Complexes and Their Use as Catalysts","Organometallics","2012","31","3","895","","10.1021/om2008919","","","0.71073","MoKα","","0.0761","0.0558","","","0.1188","0.127","","","","","","1.121","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067898","30.851","0.003","16.5998","0.0016","17.5738","0.0017","90","","99.866","0.004","90","","8866.8","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 B Cl2 Ir N2 O2 -","- C48 H44 B Cl2 Ir N2 O2 -","- C384 H352 B8 Cl16 Ir8 N16 O16 -","8","1","","Vadavi, Ramesh S.; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Lee, Junseong; Lee, Yoon Sup; Lee, Min Hyung","Turning On MLCT Phosphorescence of Iridium(III)‒Borane Conjugates upon Fluoride Binding","Organometallics","2012","31","1","31","","10.1021/om2008937","","","0.71073","MoKα","","0.1505","0.0716","","","0.151","0.1708","","","","","","1.011","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067899","18.066","0.003","18.59","0.003","20.431","0.003","90.943","0.005","110.07","0.005","118.884","0.004","5503","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H140 B2 F2 Ir2 N8 O5 -","- C118 H140 B2 F2 Ir2 N8 O5 -","- C236 H280 B4 F4 Ir4 N16 O10 -","2","1","","Vadavi, Ramesh S.; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Lee, Junseong; Lee, Yoon Sup; Lee, Min Hyung","Turning On MLCT Phosphorescence of Iridium(III)‒Borane Conjugates upon Fluoride Binding","Organometallics","2012","31","1","31","","10.1021/om2008937","","","0.71073","MoKα","","0.0792","0.0409","","","0.0937","0.1271","","","","","","1.025","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067900","10.808","0.012","10.936","0.012","12.702","0.011","108.88","0.08","90.79","0.08","95.28","0.09","1413","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 O11 Te2 -","- C24 H28 N2 O11 Te2 -","- C48 H56 N4 O22 Te4 -","2","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Synthesis and Structure of an Intramolecularly Coordinated Diaryltelluronic Acid and Its Dimethyl Ester","Organometallics","2012","31","1","289","","10.1021/om2008953","","","0.71073","MoKα","","0.0523","0.0334","","","0.0779","0.0945","","","","","","0.932","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067901","10.982","0.008","23.84","0.02","11.868","0.009","90","","111.15","0.06","90","","2898","4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 N2 O8 Te2 -","- C27 H36 N2 O8 Te2 -","- C108 H144 N8 O32 Te8 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Synthesis and Structure of an Intramolecularly Coordinated Diaryltelluronic Acid and Its Dimethyl Ester","Organometallics","2012","31","1","289","","10.1021/om2008953","","","0.71073","MoKα","","0.1225","0.0633","","","0.1316","0.1474","","","","","","0.879","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067902","5.8681","0.0012","8.9177","0.0018","10.93","0.002","101.14","0.03","103.6","0.03","100.34","0.02","530.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Orbach, Meital; Choudhury, Joyanta; Lahav, Michal; Zenkina, Olena V.; Diskin-Posner, Yael; Leitus, Gregory; Iron, Mark A.; van der Boom, Milko E.","Palladium-Catalyzed Cross-Coupling Reactions with Fluorinated Substrates: Mechanistic Insights into the Undesired Hydrodehalogenation of Aryl Halides","Organometallics","2012","31","4","1271","","10.1021/om200898t","","","0.71073","MoKα","","0.0758","0.0489","","","0.1185","0.1332","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067903","15.967","0.003","13.233","0.003","13.854","0.003","90","","102.6","0.03","90","","2856.7","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Br F4 N P2 Pd -","- C25 H36 Br F4 N P2 Pd -","- C100 H144 Br4 F16 N4 P8 Pd4 -","4","1","","Orbach, Meital; Choudhury, Joyanta; Lahav, Michal; Zenkina, Olena V.; Diskin-Posner, Yael; Leitus, Gregory; Iron, Mark A.; van der Boom, Milko E.","Palladium-Catalyzed Cross-Coupling Reactions with Fluorinated Substrates: Mechanistic Insights into the Undesired Hydrodehalogenation of Aryl Halides","Organometallics","2012","31","4","1271","","10.1021/om200898t","","","0.71073","MoKα","","0.0459","0.0306","","","0.062","0.068","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4067904","8.5023","0.0002","12.6579","0.0003","25.8658","0.0005","90","","98.764","0.001","90","","2751.21","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 F4 N P2 Pd -","- C25 H37 F4 N P2 Pd -","- C100 H148 F16 N4 P8 Pd4 -","4","1","","Orbach, Meital; Choudhury, Joyanta; Lahav, Michal; Zenkina, Olena V.; Diskin-Posner, Yael; Leitus, Gregory; Iron, Mark A.; van der Boom, Milko E.","Palladium-Catalyzed Cross-Coupling Reactions with Fluorinated Substrates: Mechanistic Insights into the Undesired Hydrodehalogenation of Aryl Halides","Organometallics","2012","31","4","1271","","10.1021/om200898t","","","0.71073","MoKα","","0.0561","0.0369","","","0.0769","0.0832","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4067905","11.8726","0.0004","16.8581","0.0005","22.9945","0.0008","90","","98.302","0.002","90","","4554.1","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 F12 K2 N2 O2.5 -","- C14 H15 F12 K2 N2 O2.5 -","- C112 H120 F96 K16 N16 O20 -","8","2","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?","Organometallics","2012","31","4","1448","","10.1021/om200906e","","x-ray","0.71073","MoKα","","0.0784","0.0435","","","0.1001","0.1124","","","","","","0.962","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4067906","11.1319","0.0005","12.4006","0.0005","14.9455","0.0006","90","","90","","90","","2063.11","0.15","150","2","150","2","","","","","","","synthesis as described","7","P c 21 n","P -2n -2ac","33","","","","- C14 H14 Cl F12 In N2 O2 -","- C14 H14 Cl F12 In N2 O2 -","- C56 H56 Cl4 F48 In4 N8 O8 -","4","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?","Organometallics","2012","31","4","1448","","10.1021/om200906e","","x-ray","0.71073","MoKα","","0.0146","0.0144","","","0.0374","0.0376","","","","","","1.044","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067907","9.6307","0.0012","17.162","0.002","13.0256","0.0015","90","","105.311","0.004","90","","2076.5","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 F12 In N2 O2 -","- C15 H17 F12 In N2 O2 -","- C60 H68 F48 In4 N8 O8 -","4","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?","Organometallics","2012","31","4","1448","","10.1021/om200906e","","x-ray","0.71073","MoKα","","0.0703","0.0429","","","0.1012","0.1159","","","","","","1.029","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067908","11.7277","0.0012","20.942","0.002","11.5897","0.0012","90","","115.141","0.004","90","","2576.8","0.5","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 F12 In Li N2 O2 -","- C20 H26 F12 In Li N2 O2 -","- C80 H104 F48 In4 Li4 N8 O8 -","4","0.5","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?","Organometallics","2012","31","4","1448","","10.1021/om200906e","","x-ray","0.71073","MoKα","","0.0364","0.0311","","","0.08","0.0853","","","","","","0.68","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067909","18.422","0.004","9.396","0.002","18.534","0.004","90","","116.506","0.008","90","","2870.9","1.1","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H31 F12 In N2 O2 Si -","- C22 H31 F12 In N2 O2 Si -","- C88 H124 F48 In4 N8 O8 Si4 -","4","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?","Organometallics","2012","31","4","1448","","10.1021/om200906e","","x-ray","0.71073","MoKα","","0.035","0.0283","","","0.0591","0.0615","","","","","","1.098","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067910","17.8298","0.0009","12.4955","0.0007","19.9327","0.0009","90","","113.157","0.002","90","","4083.1","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Al F6 N O -","- C20 H20 Al F6 N O -","- C160 H160 Al8 F48 N8 O8 -","8","2","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2012","31","4","1458","","10.1021/om200907x","","x-ray","0.71073","MoKα","","0.0909","0.0545","","","0.1154","0.1312","","","","","","1.062","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067911","12.6196","0.0016","7.2451","0.0011","18.583","0.003","90","","93.935","0.008","90","","1695","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 Al F6 N O -","- C15 H18 Al F6 N O -","- C60 H72 Al4 F24 N4 O4 -","4","1","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2012","31","4","1458","","10.1021/om200907x","","x-ray","0.71073","MoKα","","0.0654","0.047","","","0.09","0.0972","","","","","","1.032","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067912","16.921","","10.286","","20.408","","90","","95.84","","90","","3533.56","","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 Al F12 N2 O2 -","- C34 H35 Al F12 N2 O2 -","- C136 H140 Al4 F48 N8 O8 -","4","1","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2012","31","4","1458","","10.1021/om200907x","","x-ray","0.71073","MoKα","","0.1369","0.0692","","","0.1891","0.2301","","","","","","1.04","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067913","28.6061","0.0017","7.9775","0.0004","18.7745","0.0011","90","","128.11","0.002","90","","3371.1","0.3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 Al F12 N2 O2 -","- C35 H27 Al F12 N2 O2 -","- C140 H108 Al4 F48 N8 O8 -","4","0.5","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2012","31","4","1458","","10.1021/om200907x","","x-ray","0.71073","MoKα","","0.0408","0.036","","","0.088","0.091","","","","","","1.047","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067914","19.199","0.002","10.2345","0.0011","20.423","0.002","90","","112.577","0.004","90","","3705.4","0.7","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Al F12 N2 O3 -","- C36 H39 Al F12 N2 O3 -","- C144 H156 Al4 F48 N8 O12 -","4","1","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2012","31","4","1458","","10.1021/om200907x","","x-ray","0.71073","MoKα","","0.1128","0.0866","","","0.2228","0.2408","","","","","","1.103","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067915","9.2914","0.0008","12.461","0.0012","16.2362","0.0015","81.295","0.004","82.018","0.004","84.649","0.004","1835.2","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C37 H31 Al F12 N2 O3 -","- C37 H31 Al F12 N2 O3 -","- C74 H62 Al2 F24 N4 O6 -","2","1","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2012","31","4","1458","","10.1021/om200907x","","x-ray","0.71073","MoKα","","0.0735","0.0501","","","0.1127","0.1291","","","","","","1.074","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067916","11.9729","0.0004","9.3725","0.0002","12.0227","0.0004","90","","115.386","0.001","90","","1218.87","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 Si -","- C11 H13 N O2 Si -","- C44 H52 N4 O8 Si4 -","4","1","","Matt, Benjamin; Moussa, Jamal; Chamoreau, Lise-Marie; Afonso, Carlos; Proust, Anna; Amouri, Hani; Izzet, Guillaume","Elegant Approach to the Synthesis of a Unique Heteroleptic Cyclometalated Iridium(III)-Polyoxometalate Conjugate","Organometallics","2012","31","1","35","","10.1021/om200910p","","","0.71073","MoKα","","0.0547","0.0392","","","0.1061","0.116","","","","","","1.045","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067917","10.4581","0.0003","12.0415","0.0003","13.7808","0.0003","94.737","0.001","93.046","0.001","104.784","0.001","1667.28","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H36 Ir N3 O3 Si -","- C36.5 H36 Ir N3 O3 Si -","- C73 H72 Ir2 N6 O6 Si2 -","2","1","","Matt, Benjamin; Moussa, Jamal; Chamoreau, Lise-Marie; Afonso, Carlos; Proust, Anna; Amouri, Hani; Izzet, Guillaume","Elegant Approach to the Synthesis of a Unique Heteroleptic Cyclometalated Iridium(III)-Polyoxometalate Conjugate","Organometallics","2012","31","1","35","","10.1021/om200910p","","","0.71073","MoKα","","0.0211","0.0179","","","0.0416","0.0431","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067918","19.1628","0.0015","19.6311","0.0018","4.4177","0.0005","90","","90","","90","","1661.9","0.3","180","2","180","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H36 Au2 N8 Na2 O12 -","- C26 H36 Au2 N8 Na2 O12 -","- C52 H72 Au4 N16 Na4 O24 -","2","0.5","","Cure, Jérémy; Poteau, Romuald; Gerber, Iann C.; Gornitzka, Heinz; Hemmert, Catherine","Dimeric Gold Bis(carbene) Complexes by Transmetalation in Water","Organometallics","2012","31","2","619","","10.1021/om2009183","","","0.71073","MoKα","","0.0531","0.0369","","","0.0658","0.0699","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4067919","15.7363","0.0004","18.6612","0.0004","23.01","0.0006","73.734","0.001","76.808","0.001","89.805","0.001","6302.2","0.3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.67 H54.33 Au2 Br1.45 F3.33 N8.33 O5 P0.56 -","- C32.6667 H54.3333 Au2 Br1.44333 F3.33467 N8.33333 O5 P0.556667 -","- C196 H326 Au12 Br8.66 F20.008 N50 O30 P3.34 -","6","3","","Cure, Jérémy; Poteau, Romuald; Gerber, Iann C.; Gornitzka, Heinz; Hemmert, Catherine","Dimeric Gold Bis(carbene) Complexes by Transmetalation in Water","Organometallics","2012","31","2","619","","10.1021/om2009183","","","0.71073","MoKα","","0.0387","0.0262","","","0.0514","0.0554","","","","","","1.026","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4067920","11.4734","0.0006","12.8132","0.0005","11.7879","0.0007","90","","96.587","0.002","90","","1721.51","0.15","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl N2 O2 Pt -","- C18 H15 Cl N2 O2 Pt -","- C72 H60 Cl4 N8 O8 Pt4 -","4","2","","Bonnington, Kevin J.; Zhang, Fenbao; Moustafa, Mahmoud M. Abd Rabo; Cooper, Benjamin F. T.; Jennings, Michael C.; Puddephatt, Richard J.","Activation of Anisole by Organoplatinum(II) Complexes: Evidence for Rate-Determining C‒H Activation","Organometallics","2012","31","1","306","","10.1021/om200922a","","","0.71073","MoKα","","0.0598","0.0442","","","0.0989","0.1077","","","","","","1.031","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067921","8.6788","0.0003","12.8673","0.0004","15.2802","0.0005","69.416","0.002","86.68","0.002","82.83","0.002","1584.77","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N3 O Pt -","- C17 H16 Cl N3 O Pt -","- C68 H64 Cl4 N12 O4 Pt4 -","4","2","","Bonnington, Kevin J.; Zhang, Fenbao; Moustafa, Mahmoud M. Abd Rabo; Cooper, Benjamin F. T.; Jennings, Michael C.; Puddephatt, Richard J.","Activation of Anisole by Organoplatinum(II) Complexes: Evidence for Rate-Determining C‒H Activation","Organometallics","2012","31","1","306","","10.1021/om200922a","","","0.71073","MoKα","","0.0372","0.027","","","0.0589","0.0624","","","","","","1.023","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067922","7.1077","0.0003","10.4427","0.0006","20.5971","0.0009","90","","92.043","0.003","90","","1527.82","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl N2 O Pt -","- C17 H15 Cl N2 O Pt -","- C68 H60 Cl4 N8 O4 Pt4 -","4","1","","Bonnington, Kevin J.; Zhang, Fenbao; Moustafa, Mahmoud M. Abd Rabo; Cooper, Benjamin F. T.; Jennings, Michael C.; Puddephatt, Richard J.","Activation of Anisole by Organoplatinum(II) Complexes: Evidence for Rate-Determining C‒H Activation","Organometallics","2012","31","1","306","","10.1021/om200922a","","","0.71073","MoKα","","0.0685","0.0345","","","0.0632","0.0715","","","","","","0.942","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067923","13.341","0.005","15.255","0.005","9.055","0.005","90","0.005","111.923","0.005","90","0.005","1709.6","1.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 F6 N2 O6 Pt S2 -","- C12 H8 F6 N2 O6 Pt S2 -","- C48 H32 F24 N8 O24 Pt4 S8 -","4","0.5","","Bonnington, Kevin J.; Zhang, Fenbao; Moustafa, Mahmoud M. Abd Rabo; Cooper, Benjamin F. T.; Jennings, Michael C.; Puddephatt, Richard J.","Activation of Anisole by Organoplatinum(II) Complexes: Evidence for Rate-Determining C‒H Activation","Organometallics","2012","31","1","306","","10.1021/om200922a","","","0.71073","MoKα","","0.0461","0.0349","","","0.0849","0.0933","","","","","","0.771","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4067924","8.7643","0.0008","10.225","0.0007","13.1734","0.0012","94.007","0.007","106.983","0.007","100.868","0.006","1098.95","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 F6 N2 O10 Pt S2 -","- C12 H8 F6 N2 O10 Pt S2 -","- C24 H16 F12 N4 O20 Pt2 S4 -","2","1","","Bonnington, Kevin J.; Zhang, Fenbao; Moustafa, Mahmoud M. Abd Rabo; Cooper, Benjamin F. T.; Jennings, Michael C.; Puddephatt, Richard J.","Activation of Anisole by Organoplatinum(II) Complexes: Evidence for Rate-Determining C‒H Activation","Organometallics","2012","31","1","306","","10.1021/om200922a","","","0.71073","MoKα","","0.077","0.0542","","","0.1174","0.1295","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4067925","17.728","0.009","13.503","0.007","15.199","0.008","90","","108.275","0.007","90","","3455","3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 N3 O6 S3 -","- C34 H35 N3 O6 S3 -","- C136 H140 N12 O24 S12 -","4","1","","Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study","Organometallics","2012","31","1","318","","10.1021/om200927f","","","0.71073","MoKα","","0.3845","0.0867","","","0.2052","0.3536","","","","","","0.858","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067926","28.676","0.014","14.915","0.007","18.614","0.009","90","","93.087","0.01","90","","7950","7","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 N3 O6 S3 -","- C37 H41 N3 O6 S3 -","- C296 H328 N24 O48 S24 -","8","2","","Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study","Organometallics","2012","31","1","318","","10.1021/om200927f","","","0.71073","MoKα","","0.2965","0.0879","","","0.1873","0.243","","","","","","0.883","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067927","19.242","0.012","10.721","0.007","20.441","0.013","90","","95.836","0.011","90","","4195","5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H47 N3 O6 S3 -","- C40 H47 N3 O6 S3 -","- C160 H188 N12 O24 S12 -","4","1","","Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study","Organometallics","2012","31","1","318","","10.1021/om200927f","","","0.71073","MoKα","","0.1204","0.0579","","","0.1574","0.1771","","","","","","0.99","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067928","29.726","0.008","11.085","0.003","24.76","0.007","90","","96.319","0.005","90","","8109","4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H49 N3 O7 S3 -","- C41 H49 N3 O7 S3 -","- C328 H392 N24 O56 S24 -","8","1","","Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study","Organometallics","2012","31","1","318","","10.1021/om200927f","","","0.71073","MoKα","","0.1836","0.0703","","","0.171","0.2172","","","","","","1.01","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067929","23.107","0.002","10.9792","0.0007","29.489","0.002","90","","96.16","0.006","90","","7438.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37.25 H41.5 Cl0.5 N3 O6 S3 -","- C37.25 H41.5 Cl0.5 N3 O6 S3 -","- C298 H332 Cl4 N24 O48 S24 -","8","2","","Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study","Organometallics","2012","31","1","318","","10.1021/om200927f","","","0.71073","MoKα","","0.2059","0.0713","","","0.171","0.2476","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067930","17.866","0.003","17.866","0.003","9.887","0.003","90","","90","","120","","2733.1","1.1","153","2","153","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C34 H35 Cl2 N3 O6 S3 -","- C33.99 H34.98 Cl2 N3 O6 S3 -","- C101.97 H104.94 Cl6 N9 O18 S9 -","3","0.166667","","Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study","Organometallics","2012","31","1","318","","10.1021/om200927f","","","0.71073","MoKα","","0.1394","0.0655","","","0.1386","0.1598","","","","","","0.886","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067931","11.6075","0.0009","11.6918","0.0009","21.7115","0.0017","90","","90","","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H54 B3 P3 Si -","- C19 H54 B3 P3 Si -","- C76 H216 B12 P12 Si4 -","4","1","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0391","0.0329","","","0.0756","0.0792","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4067932","9.7734","0.0003","11.6223","0.0004","15.3027","0.0005","88.046","0.002","74.705","0.001","82.959","0.001","1664.01","0.09","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C27 H53 F3 O3 P3 Rh S Si -","- C27 H53 F3 O3 P3 Rh S Si -","- C54 H106 F6 O6 P6 Rh2 S2 Si2 -","2","2","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0303","0.0284","","","0.0706","0.0721","","","","","","1.036","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067933","14.4","0.005","14.632","0.005","15.237","0.005","90","","90","","90","","3210.4","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H47 Cl4 Cu2 P3 Si -","- C20 H47 Cl4 Cu2 P3 Si -","- C80 H188 Cl16 Cu8 P12 Si4 -","4","1","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0411","0.0339","","","0.0723","0.0767","","","","","","1.019","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067934","25.5296","0.0015","25.5296","0.0015","25.5296","0.0015","90","","90","","90","","16639.2","1.7","100","2","100","2","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C27 H43 F6 N3 O6 P3 Ru S2 Si -","- C26.5 H42.99 F4.5 N3 O4.5 P3 Ru S1.5 Si -","- C424 H687.84 F72 N48 O72 P48 Ru16 S24 Si16 -","16","1.33333","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0709","0.0603","","","0.1475","0.1535","","","","","","1.001","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067935","11.7497","0.0003","11.7497","0.0003","10.9259","0.0003","90","","90","","120","","1306.3","0.06","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C19 H45 Cl3 P3 Ru Si -","- C19 H45 Cl3 P3 Ru Si -","- C38 H90 Cl6 P6 Ru2 Si2 -","2","0.333333","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0335","0.0297","","","0.0756","0.0777","","","","","","1.031","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067936","17.3499","0.0013","6.9681","0.0003","16.2041","0.0013","90","","115.088","0.002","90","","1774.2","0.2","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","LiB(C6H5)4","lithium tetraphenylborate at 295 K","","- C24 H20 B Li -","- C24 H20 B Li -","- C96 H80 B4 Li4 -","4","0.5","","Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk","Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs)","Organometallics","2012","31","3","905","","10.1021/om200943n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067937","17.2196","0.0012","6.9182","0.0004","16.1249","0.0012","90","","115.016","0.003","90","","1740.7","0.2","193","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","LiB(C6H5)4","lithium tetraphenylborate at 193 K","","- C24 H20 B Li -","- C24 H20 B Li -","- C96 H80 B4 Li4 -","4","0.5","","Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk","Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs)","Organometallics","2012","31","3","905","","10.1021/om200943n","powder diffraction","x-ray","1.78896","CoKα~2~","","","","","","","","","","","","","","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067938","11.477","0.001","11.477","0.001","7.4405","0.0014","90","","90","","90","","980.1","0.2","295","","295","","","","","","","","","4","I -4 2 m","I -4 2","121","NaB(C6H5)4","Sodium tetraphenylborate at 295 K","","- C24 H20 B Na -","- C24 H20 B Na -","- C48 H40 B2 Na2 -","2","0.125","","Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk","Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs)","Organometallics","2012","31","3","905","","10.1021/om200943n","","","0.71073","MoKα","","0.0365","0.0359","","","0.1032","0.1037","","","","","","1.002","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067939","7.3252","0.0016","16.291","0.004","15.763","0.004","90","","102.173","0.007","90","","1838.8","0.8","90","","90","","","","","","","","","4","C 1 c 1","C -2yc","9","NaB(C6H5)4","Sodium tetraphenylborate at 90 K","","- C24 H20 B Na -","- C24 H20 B Na -","- C96 H80 B4 Na4 -","4","1","","Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk","Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs)","Organometallics","2012","31","3","905","","10.1021/om200943n","","","0.71073","MoKα","","0.1005","0.0887","","","0.2336","0.2505","","","","","","1.002","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067940","11.1556","0.0006","11.1556","0.0006","8.0534","0.0007","90","","90","","90","","1002.22","0.12","153","","153","","","","","","","","","4","I -4 2 m","I -4 2","121","RbB(C6H5)4","Rubidium tetraphenylborate at 153 K","","- C24 H20 B Rb -","- C24 H20 B Rb -","- C48 H40 B2 Rb2 -","2","0.125","","Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk","Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs)","Organometallics","2012","31","3","905","","10.1021/om200943n","","","0.71073","MoKα","","0.0269","0.0269","","","0.0671","0.0671","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067941","11.2847","0.0004","11.2847","0.0004","8.4248","0.0007","90","","90","","90","","1072.85","0.1","295","","295","","","","","","","","","4","I -4 2 m","I -4 2","121","CsB(C6H5)4","Cesium tetraphenylborate at 295 K","","- C24 H20 B Cs -","- C24 H20 B Cs -","- C48 H40 B2 Cs2 -","2","0.125","","Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk","Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs)","Organometallics","2012","31","3","905","","10.1021/om200943n","","","0.71073","MoKα","","0.021","0.0184","","","0.0407","0.0418","","","","","","1.001","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067942","13.761","0.0004","17.2858","0.0005","39.9274","0.0012","90","","90","","90","","9497.5","0.5","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H62 Au2 Cl2 F12 P2 Sb2 -","- C37 H62 Au2 Cl2 F12 P2 Sb2 -","- C296 H496 Au16 Cl16 F96 P16 Sb16 -","8","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Synthesis and Structure of Dicationic, Bis(gold) π-Alkene Complexes Containing a 2,2′-Bis(phosphino)biphenyl Ligand","Organometallics","2012","31","2","768","","10.1021/om200948z","","","0.71073","MoKα","","0.0918","0.0529","","","0.1268","0.1453","","","","","","1.085","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067943","19.0763","0.0006","15.7558","0.0005","16.9063","0.0005","90","","93.1807","0.0018","90","","5073.6","0.3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H65 Au2 Cl2 F12 P2 Sb2 -","- C39 H65 Au2 Cl2 F12 P2 Sb2 -","- C156 H260 Au8 Cl8 F48 P8 Sb8 -","4","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Synthesis and Structure of Dicationic, Bis(gold) π-Alkene Complexes Containing a 2,2′-Bis(phosphino)biphenyl Ligand","Organometallics","2012","31","2","768","","10.1021/om200948z","","","0.71073","MoKα","","0.1178","0.0716","","","0.1693","0.1817","","","","","","1.075","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067944","8.1288","0.0003","21.5156","0.0006","12.9148","0.0004","90","","95.866","0.003","90","","2246.92","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 B F4 I N P Rh -","- C18 H29 B F4 I N P Rh -","- C72 H116 B4 F16 I4 N4 P4 Rh4 -","4","1","","Gil-Rubio, Juan; Guerrero-Leal, Juan; Blaya, María; Vicente, José; Bautista, Delia; Jones, Peter G.","Reactions of Half-Sandwich Ethene Complexes of Rhodium(I) toward Iodoperfluorocarbons: Perfluoro-alkylation or -arylation of Coordinated Ethene versus Oxidative Addition","Organometallics","2012","31","4","1287","","10.1021/om2009588","","","0.71073","MoKα","","0.0372","0.0296","","","0.0681","0.0699","","","","","","1.114","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067945","9.4279","0.0004","13.1022","0.0005","18.0704","0.0007","90","","99.886","0.002","90","","2199.02","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F9 I P Rh -","- C17 H24 F9 I P Rh -","- C68 H96 F36 I4 P4 Rh4 -","4","1","","Gil-Rubio, Juan; Guerrero-Leal, Juan; Blaya, María; Vicente, José; Bautista, Delia; Jones, Peter G.","Reactions of Half-Sandwich Ethene Complexes of Rhodium(I) toward Iodoperfluorocarbons: Perfluoro-alkylation or -arylation of Coordinated Ethene versus Oxidative Addition","Organometallics","2012","31","4","1287","","10.1021/om2009588","","","0.71073","MoKα","","0.0203","0.019","","","0.0456","0.0462","","","","","","1.038","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067946","12.4747","0.0004","13.3277","0.0005","15.0019","0.0005","70.372","0.002","66.215","0.002","66.821","0.002","2051.06","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 D6 F14 I2 Rh2 -","- C36 H44 F14 I2 Rh2 -","- C72 H88 F28 I4 Rh4 -","2","1","","Gil-Rubio, Juan; Guerrero-Leal, Juan; Blaya, María; Vicente, José; Bautista, Delia; Jones, Peter G.","Reactions of Half-Sandwich Ethene Complexes of Rhodium(I) toward Iodoperfluorocarbons: Perfluoro-alkylation or -arylation of Coordinated Ethene versus Oxidative Addition","Organometallics","2012","31","4","1287","","10.1021/om2009588","","","0.71073","MoKα","","0.0429","0.0355","","","0.0747","0.0781","","","","","","1.057","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067947","16.6976","0.0011","13.5697","0.0009","16.8812","0.0011","90","","103.331","0.002","90","","3721.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 F10 O5 P Rh S -","- C36 H34 F10 O5 P Rh S -","- C144 H136 F40 O20 P4 Rh4 S4 -","4","1","","Gil-Rubio, Juan; Guerrero-Leal, Juan; Blaya, María; Vicente, José; Bautista, Delia; Jones, Peter G.","Reactions of Half-Sandwich Ethene Complexes of Rhodium(I) toward Iodoperfluorocarbons: Perfluoro-alkylation or -arylation of Coordinated Ethene versus Oxidative Addition","Organometallics","2012","31","4","1287","","10.1021/om2009588","","","0.71073","MoKα","","0.0499","0.047","","","0.113","0.1149","","","","","","1.064","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067948","17.4942","0.0015","10.784","0.0009","13.5254","0.0012","90","","107.105","0.002","90","","2438.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 F9 I P Rh -","- C19 H28 F9 I P Rh -","- C76 H112 F36 I4 P4 Rh4 -","4","1","","Gil-Rubio, Juan; Guerrero-Leal, Juan; Blaya, María; Vicente, José; Bautista, Delia; Jones, Peter G.","Reactions of Half-Sandwich Ethene Complexes of Rhodium(I) toward Iodoperfluorocarbons: Perfluoro-alkylation or -arylation of Coordinated Ethene versus Oxidative Addition","Organometallics","2012","31","4","1287","","10.1021/om2009588","","","0.71073","MoKα","","0.0401","0.0371","","","0.0727","0.0739","","","","","","1.192","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067949","14.6027","0.0014","8.1396","0.0008","16.9438","0.0016","90","","103.877","0.002","90","","1955.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 F18 I2 Rh2 -","- C32 H38 F18 I2 Rh2 -","- C64 H76 F36 I4 Rh4 -","2","0.5","","Gil-Rubio, Juan; Guerrero-Leal, Juan; Blaya, María; Vicente, José; Bautista, Delia; Jones, Peter G.","Reactions of Half-Sandwich Ethene Complexes of Rhodium(I) toward Iodoperfluorocarbons: Perfluoro-alkylation or -arylation of Coordinated Ethene versus Oxidative Addition","Organometallics","2012","31","4","1287","","10.1021/om2009588","","","0.71073","MoKα","","0.0518","0.0433","","","0.1038","0.1081","","","","","","1.092","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067950","17.6074","0.0007","15.0201","0.0006","9.1566","0.0004","90","","90","","90","","2421.6","0.17","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ta-complex","","- C22 H41 N3 Ta -","- C22 H41 N3 Ta -","- C88 H164 N12 Ta4 -","4","0.5","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0249","0.0231","","","0.0486","0.0495","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067951","9.5193","0.0006","15.1552","0.0009","17.9819","0.0011","90","","98.17","0.001","90","","2567.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ta-complex","","- C23 H44 N4 Ta -","- C23 H44 N4 Ta -","- C92 H176 N16 Ta4 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0295","0.023","","","0.0471","0.0484","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067952","8.747","0.0004","18.1399","0.0009","15.7496","0.0008","90","","96.2647","0.0008","90","","2484.1","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Cl N3 Ta -","- C22 H42 Cl N3 Ta -","- C88 H168 Cl4 N12 Ta4 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0174","0.0162","","","0.0346","0.0349","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067953","10.9966","0.0003","14.0571","0.0004","15.5254","0.0005","90","","100.078","0.0004","90","","2362.89","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N3 Ta -","- C22 H41 N3 Ta -","- C88 H164 N12 Ta4 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0152","0.0134","","","0.0292","0.0297","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067954","9.1072","0.0006","16.522","0.0012","17.989","0.0014","90","","103.646","0.001","90","","2630.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H45 Cl N4 Ta -","- C23 H45 Cl N4 Ta -","- C92 H180 Cl4 N16 Ta4 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.034","0.0205","","","0.0389","0.0417","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067955","8.8396","0.0006","33.469","0.002","8.8946","0.0006","90","","103.232","0.0009","90","","2561.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H44 Cl N4 Ta -","- C23 H44 Cl N4 Ta -","- C92 H176 Cl4 N16 Ta4 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0289","0.027","","","0.0579","0.0588","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067956","8.8694","0.0005","16.3518","0.0009","18.3329","0.001","90","","96.2652","0.0008","90","","2643","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23.88 H46.64 I0.12 N4 Ta -","- C23.8797 H46.6391 I0.1203 N4 Ta -","- C95.5188 H186.556 I0.4812 N16 Ta4 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0222","0.0204","","","0.0436","0.0442","","","","","","1","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067957","16.6809","0.0014","9.2788","0.0008","17.6464","0.0015","90","","91.054","0.001","90","","2730.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23.16 H44.47 I0.84 N4 Ta -","- C23.1571 H44.4713 I0.8429 N4 Ta -","- C92.6284 H177.885 I3.3716 N16 Ta4 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0217","0.0203","","","0.0446","0.0451","","","","","","1","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067958","9.5135","0.0008","16.9058","0.0015","19.2328","0.0017","90","","103.888","0.001","90","","3002.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 N4 S Ta -","- C29 H49 N4 S Ta -","- C116 H196 N16 S4 Ta4 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0182","0.0163","","","0.0349","0.0355","","","","","","1.001","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067959","13.3696","0.0016","13.9845","0.0017","25.723","0.003","90","","90","","90","","4809.4","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H74 N6 S2 Ta2 -","- C48 H74 N6 S2 Ta2 -","- C192 H296 N24 S8 Ta8 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0177","0.0168","","","0.0352","0.0355","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067960","10.767","0.006","6.462","0.003","19.365","0.008","90","","95.621","0.006","90","","1340.9","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Sieb, David; Schuhen, Katrin; Morgen, Michael; Herrmann, Heike; Wadepohl, Hubert; Lucas, Nigel T.; Baker, Robert W.; Enders, Markus","Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit","Organometallics","2012","31","1","356","","10.1021/om2009638","","x-ray","0.71073","MoKα","","0.0964","0.05","","","0.114","0.1492","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067961","8.832","0.004","14.909","0.006","17.469","0.008","113.286","0.012","93.244","0.016","100.35","0.012","2057.7","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N2 Rh -","- C25 H29 N2 Rh -","- C100 H116 N8 Rh4 -","4","2","","Sieb, David; Schuhen, Katrin; Morgen, Michael; Herrmann, Heike; Wadepohl, Hubert; Lucas, Nigel T.; Baker, Robert W.; Enders, Markus","Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit","Organometallics","2012","31","1","356","","10.1021/om2009638","","x-ray","0.71073","MoKα","","0.0887","0.0425","","","0.0816","0.1025","","","","","","1.034","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067962","11.733","0.005","18.595","0.008","7.615","0.004","90","","107.497","0.01","90","","1584.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl2 N2 Rh -","- C17 H17 Cl2 N2 Rh -","- C68 H68 Cl8 N8 Rh4 -","4","1","","Sieb, David; Schuhen, Katrin; Morgen, Michael; Herrmann, Heike; Wadepohl, Hubert; Lucas, Nigel T.; Baker, Robert W.; Enders, Markus","Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit","Organometallics","2012","31","1","356","","10.1021/om2009638","","x-ray","0.71073","MoKα","","0.0328","0.0246","","","0.0614","0.068","","","","","","1.103","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067963","7.1389","0.0008","7.9099","0.0009","16.69","0.002","102.821","0.002","93.491","0.002","94.109","0.002","913.73","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl3 N2 O Rh -","- C19 H14 Cl3 N2 O Rh -","- C38 H28 Cl6 N4 O2 Rh2 -","2","1","","Sieb, David; Schuhen, Katrin; Morgen, Michael; Herrmann, Heike; Wadepohl, Hubert; Lucas, Nigel T.; Baker, Robert W.; Enders, Markus","Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit","Organometallics","2012","31","1","356","","10.1021/om2009638","","x-ray","0.71073","MoKα","","0.0459","0.0342","","","0.0749","0.0793","","","","","","1.076","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067964","12.515","0.001","18.619","0.002","15.015","0.002","90","","111.514","0.003","90","","3255","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Cl2 N4 O3 Rh2 -","- C38 H24 Cl2 N4 O3 Rh2 -","- C152 H96 Cl8 N16 O12 Rh8 -","4","0.5","","Sieb, David; Schuhen, Katrin; Morgen, Michael; Herrmann, Heike; Wadepohl, Hubert; Lucas, Nigel T.; Baker, Robert W.; Enders, Markus","Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit","Organometallics","2012","31","1","356","","10.1021/om2009638","","","0.71073","MoKα","","0.0682","0.0415","","","0.0947","0.1121","","","","","","1.046","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067965","9.897","0.0006","10.9397","0.0007","12.2543","0.0008","109.847","0.001","95.505","0.001","96.594","0.001","1226.72","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 Cl3 N2 O2 Zr -","- C25 H27 Cl3 N2 O2 Zr -","- C50 H54 Cl6 N4 O4 Zr2 -","2","1","","Sieb, David; Schuhen, Katrin; Morgen, Michael; Herrmann, Heike; Wadepohl, Hubert; Lucas, Nigel T.; Baker, Robert W.; Enders, Markus","Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit","Organometallics","2012","31","1","356","","10.1021/om2009638","","x-ray","0.71073","MoKα","","0.0312","0.0265","","","0.068","0.0719","","","","","","1.041","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067966","7.8478","0.0002","9.1844","0.0003","15.555","0.0005","75.848","0.001","79.524","0.001","89.988","0.001","1067.86","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","in manuscript 3","","","- C18 H19 Br2 Cl2 N3 Pt -","- C18 H19 Br2 Cl2 N3 Pt -","- C36 H38 Br4 Cl4 N6 Pt2 -","2","1","","Cao, Peng; Cabrera, José; Padilla, Robin; Serra, Daniel; Rominger, Frank; Limbach, Michael","Hydroamination of Unactivated Alkenes Catalyzed by Novel Platinum(II)N-Heterocyclic Carbene Complexes","Organometallics","2012","31","3","921","","10.1021/om200964u","","","0.71073","MoKα","","0.0291","0.0233","","","0.0523","0.0545","","","","","","1.058","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067967","8.6922","0.0007","30.19","0.003","15.5621","0.0013","90","","98.568","0.002","90","","4038.2","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","in manuscript 4","","","- C18.5 H20 Br2 Cl N3 Pt -","- C18.5 H20 Br2 Cl N3 Pt -","- C148 H160 Br16 Cl8 N24 Pt8 -","8","2","","Cao, Peng; Cabrera, José; Padilla, Robin; Serra, Daniel; Rominger, Frank; Limbach, Michael","Hydroamination of Unactivated Alkenes Catalyzed by Novel Platinum(II)N-Heterocyclic Carbene Complexes","Organometallics","2012","31","3","921","","10.1021/om200964u","","","0.71073","MoKα","","0.0356","0.0277","","","0.0571","0.0593","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067968","11.3575","0.0005","13.0886","0.0006","14.5169","0.0007","89.591","0.001","73.009","0.001","73.607","0.001","1973.21","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","10 in manuscript","","","- C39 H51 B F4 N6 O2 Pt -","- C39 H51 B F4 N6 O2 Pt -","- C78 H102 B2 F8 N12 O4 Pt2 -","2","1","","Cao, Peng; Cabrera, José; Padilla, Robin; Serra, Daniel; Rominger, Frank; Limbach, Michael","Hydroamination of Unactivated Alkenes Catalyzed by Novel Platinum(II)N-Heterocyclic Carbene Complexes","Organometallics","2012","31","3","921","","10.1021/om200964u","","","0.71073","MoKα","","0.0969","0.0577","","","0.1157","0.13","","","","","","0.992","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067969","10.3723","0.0008","16.4418","0.0015","23.513","0.002","90","","99.872","0.003","90","","3950.5","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 As Ge Se1.11 -","- C38.002 H61 As Ge Se1.11 -","- C152.008 H244 As4 Ge4 Se4.44 -","4","1","","Ghereg, Dumitru; Sotiropoulos, Jean-Marc; Escudié, Jean; Miqueu, Karinne; Matioszek, Dimitri; Ladeira, Sonia; Saffon-Merceron, Nathalie","Versatile 1,2- and 1,3-Dipole Behavior of the 1-Arsa-3-Germaallene Tip(t-Bu)Ge═C═AsMes*: Formation of a Heterocyclic Arsa(germa)carbene (AsGeHC)","Organometallics","2012","31","3","930","","10.1021/om200968x","","","0.71073","MoKα","","0.0413","0.0308","","","0.0724","0.0779","","","","","","1.026","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067970","10.1766","0.001","12.5486","0.0012","20.381","0.002","77.202","0.004","85.813","0.004","82.062","0.004","2511.3","0.4","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C55 H79 As Ge O2 -","- C55 H79 As Ge O2 -","- C110 H158 As2 Ge2 O4 -","2","1","","Ghereg, Dumitru; Sotiropoulos, Jean-Marc; Escudié, Jean; Miqueu, Karinne; Matioszek, Dimitri; Ladeira, Sonia; Saffon-Merceron, Nathalie","Versatile 1,2- and 1,3-Dipole Behavior of the 1-Arsa-3-Germaallene Tip(t-Bu)Ge═C═AsMes*: Formation of a Heterocyclic Arsa(germa)carbene (AsGeHC)","Organometallics","2012","31","3","930","","10.1021/om200968x","","x-ray","0.71073","MoKα","","0.0585","0.0365","","","0.0784","0.0866","","","","","","1.006","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067971","11.0351","0.0005","12.2305","0.0006","20.1455","0.001","98.138","0.001","100.002","0.001","105.776","0.001","2525.1","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H83 As Ge N O -","- C51.5 H83 As Ge N O -","- C103 H166 As2 Ge2 N2 O2 -","2","1","","Ghereg, Dumitru; Sotiropoulos, Jean-Marc; Escudié, Jean; Miqueu, Karinne; Matioszek, Dimitri; Ladeira, Sonia; Saffon-Merceron, Nathalie","Versatile 1,2- and 1,3-Dipole Behavior of the 1-Arsa-3-Germaallene Tip(t-Bu)Ge═C═AsMes*: Formation of a Heterocyclic Arsa(germa)carbene (AsGeHC)","Organometallics","2012","31","3","930","","10.1021/om200968x","","","0.71073","MoKα","","0.0738","0.0413","","","0.0931","0.1056","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067972","10.0231","0.0005","31.4407","0.0017","18.7805","0.0009","90","","118.019","0.003","90","","5224.7","0.5","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H70 As Cl3 Ge O2 -","- C53 H70 As Cl3 Ge O2 -","- C212 H280 As4 Cl12 Ge4 O8 -","4","1","","Ghereg, Dumitru; Sotiropoulos, Jean-Marc; Escudié, Jean; Miqueu, Karinne; Matioszek, Dimitri; Ladeira, Sonia; Saffon-Merceron, Nathalie","Versatile 1,2- and 1,3-Dipole Behavior of the 1-Arsa-3-Germaallene Tip(t-Bu)Ge═C═AsMes*: Formation of a Heterocyclic Arsa(germa)carbene (AsGeHC)","Organometallics","2012","31","3","930","","10.1021/om200968x","","x-ray","0.71073","MoKα","","0.0654","0.0486","","","0.1229","0.1334","","","","","","1.021","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067973","9.925","0.0006","23.8454","0.0015","22.0595","0.0013","90","","99.647","0.003","90","","5146.9","0.5","193","2","193","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C52 H71 As Ge O2 -","- C52 H71 As Ge O2 -","- C208 H284 As4 Ge4 O8 -","4","2","","Ghereg, Dumitru; Sotiropoulos, Jean-Marc; Escudié, Jean; Miqueu, Karinne; Matioszek, Dimitri; Ladeira, Sonia; Saffon-Merceron, Nathalie","Versatile 1,2- and 1,3-Dipole Behavior of the 1-Arsa-3-Germaallene Tip(t-Bu)Ge═C═AsMes*: Formation of a Heterocyclic Arsa(germa)carbene (AsGeHC)","Organometallics","2012","31","3","930","","10.1021/om200968x","","x-ray","0.71073","MoKα","","0.1283","0.0966","","","0.2415","0.2627","","","","","","1.096","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067974","14.818","0.002","9.6743","0.0012","19.402","0.003","90","","104.771","0.0018","90","","2689.4","0.6","200","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H31 O2 P Ru -","- C33 H28 O2 P Ru -","- C132 H112 O8 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0479","","","","0.1492","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067975","11.841","0.0006","9.9843","0.0005","30.037","0.002","90","","97.753","0.004","90","","3518.6","0.3","200","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 O P Ru -","- C38 H33 O P Ru -","- C152 H132 O4 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0541","","","","0.1908","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067976","14.794","0.003","9.6171","0.0018","19.264","0.004","90","","104.841","0.003","90","","2649.4","0.9","200","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H28 Br O P Ru -","- C32 H28 Br O P Ru -","- C128 H112 Br4 O4 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0452","","","","0.1413","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067977","14.776","0.004","9.721","0.002","19.162","0.005","90","","105.616","0.004","90","","2650.8","1.1","200","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H28 N O3 P Ru -","- C32 H28 N O3 P Ru -","- C128 H112 N4 O12 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0494","","","","0.1036","","","","","","0.806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067978","16.8913","0.0015","10.7861","0.001","14.4438","0.0013","90","","90","","90","","2631.5","0.4","200","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H31 O P Ru -","- C33 H31 O P Ru -","- C132 H124 O4 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0267","","","","0.0766","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067979","20.4154","0.0005","14.0039","0.0004","20.9509","0.0006","90","","93.3277","0.0017","90","","5979.7","0.3","200","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 O P Ru -","- C38 H33 O P Ru -","- C304 H264 O8 P8 Ru8 -","8","2","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0437","","","","0.1122","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067980","18.316","0.001","19.001","0.002","19.963","0.002","90","","113.933","0.002","90","","6350.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 F Ni P2 -","- C20 H35 F Ni P2 -","- C240 H420 F12 Ni12 P24 -","12","3","","Mart\?ínez-Prieto, Luis Miguel; Melero, Cristóbal; del R\?ío, Diego; Palma, Pilar; Cámpora, Juan; Álvarez, Eleuterio","Synthesis and Reactivity of Nickel and Palladium Fluoride Complexes with PCP Pincer Ligands. NMR-Based Assessment of Electron-Donating Properties of Fluoride and Other Monoanionic Ligands","Organometallics","2012","31","4","1425","","10.1021/om2009793","","","0.71073","MoKα","","0.1168","0.0679","","","0.1428","0.1647","","","","","","1.003","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067981","18.038","0.004","18.938","0.005","20.036","0.005","90","","113.393","0.004","90","","6282","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Ni P2 -","- C20 H36 Ni P2 -","- C240 H432 Ni12 P24 -","12","3","","Mart\?ínez-Prieto, Luis Miguel; Melero, Cristóbal; del R\?ío, Diego; Palma, Pilar; Cámpora, Juan; Álvarez, Eleuterio","Synthesis and Reactivity of Nickel and Palladium Fluoride Complexes with PCP Pincer Ligands. NMR-Based Assessment of Electron-Donating Properties of Fluoride and Other Monoanionic Ligands","Organometallics","2012","31","4","1425","","10.1021/om2009793","","","0.71073","MoKα","","0.1099","0.0707","","","0.1611","0.1879","","","","","","1.041","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067982","10.998","0.009","13.794","0.009","28.9","0.03","90","","96.038","0.014","90","","4360","6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Ni P2 -","- C21 H38 Ni P2 -","- C168 H304 Ni8 P16 -","8","2","","Mart\?ínez-Prieto, Luis Miguel; Melero, Cristóbal; del R\?ío, Diego; Palma, Pilar; Cámpora, Juan; Álvarez, Eleuterio","Synthesis and Reactivity of Nickel and Palladium Fluoride Complexes with PCP Pincer Ligands. NMR-Based Assessment of Electron-Donating Properties of Fluoride and Other Monoanionic Ligands","Organometallics","2012","31","4","1425","","10.1021/om2009793","","","1.54178","CuKα","","0.0586","0.0476","","","0.1159","0.1224","","","","","","0.997","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067983","10.4777","0.001","13.9169","0.0014","18.1873","0.0018","81.963","0.002","76.658","0.001","77.812","0.002","2510.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H40 Ni P2 -","- C26 H40 Ni P2 -","- C104 H160 Ni4 P8 -","4","2","","Mart\?ínez-Prieto, Luis Miguel; Melero, Cristóbal; del R\?ío, Diego; Palma, Pilar; Cámpora, Juan; Álvarez, Eleuterio","Synthesis and Reactivity of Nickel and Palladium Fluoride Complexes with PCP Pincer Ligands. NMR-Based Assessment of Electron-Donating Properties of Fluoride and Other Monoanionic Ligands","Organometallics","2012","31","4","1425","","10.1021/om2009793","","","0.71073","MoKα","","0.056","0.0383","","","0.0708","0.0745","","","","","","0.835","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067984","13.5036","0.0011","12.3747","0.0011","14.2276","0.0012","90","","107.045","0.002","90","","2273","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 O3 P2 -","- C21 H40 O3 P2 -","- C84 H160 O12 P8 -","4","1","","Mart\?ínez-Prieto, Luis Miguel; Melero, Cristóbal; del R\?ío, Diego; Palma, Pilar; Cámpora, Juan; Álvarez, Eleuterio","Synthesis and Reactivity of Nickel and Palladium Fluoride Complexes with PCP Pincer Ligands. NMR-Based Assessment of Electron-Donating Properties of Fluoride and Other Monoanionic Ligands","Organometallics","2012","31","4","1425","","10.1021/om2009793","","","0.71073","MoKα","","0.0787","0.047","","","0.0687","0.0743","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067985","20.229","0.003","14.609","0.002","11.919","0.002","90","","119.72","0.03","90","","3059","1.2","203","2","203","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis-{1,3-di(isopropyl)-imidazolin-2-ylidene}(hydrido) (heptafluorotolnyl)nickel(II)","","- C25 H35 F7 N4 Ni -","- C25 H35 F7 N4 Ni -","- C100 H140 F28 N16 Ni4 -","4","0.5","","Fischer, Peter; Götz, Kathrin; Eichhorn, Antonius; Radius, Udo","Decisive Steps of the Hydrodefluorination of Fluoroaromatics using [Ni(NHC)2]","Organometallics","2012","31","4","1374","","10.1021/om2009815","","","0.71073","MoKα","","0.1056","0.0706","","","0.1642","0.1861","","","","","","1.097","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4067986","6.1807","0.0002","13.8148","0.0005","10.7253","0.0004","90","","99.377","0.002","90","","903.54","0.06","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H12 F5 N2 P -","- C5 H12 F5 N2 P -","- C20 H48 F20 N8 P4 -","4","1","","Böttcher, Tobias; Shyshkov, Oleg; Bremer, Matthias; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Carbene Complexes of Phosphorus(V) Fluorides by Oxidative Addition of 2,2-Difluorobis(dialkylamines) to Phosphorus(III) Halides","Organometallics","2012","31","4","1278","","10.1021/om2009827","","","0.71073","MoKα","","0.0267","0.0247","","","0.0614","0.0632","","","","","","1.011","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067987","8.1994","0.001","9.3389","0.0011","12.4262","0.0015","90","","105.505","0.006","90","","916.89","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 F4 N2 P -","- C6 H13 F4 N2 P -","- C24 H52 F16 N8 P4 -","4","1","","Böttcher, Tobias; Shyshkov, Oleg; Bremer, Matthias; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Carbene Complexes of Phosphorus(V) Fluorides by Oxidative Addition of 2,2-Difluorobis(dialkylamines) to Phosphorus(III) Halides","Organometallics","2012","31","4","1278","","10.1021/om2009827","","","0.71073","MoKα","","0.0548","0.0433","","","0.1269","0.1432","","","","","","1.011","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067988","7.547","0.001","10.967","0.001","15.05","0.002","90","","101.15","0.01","90","","1222.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F4 N2 P -","- C11 H15 F4 N2 P -","- C44 H60 F16 N8 P4 -","4","1","","Böttcher, Tobias; Shyshkov, Oleg; Bremer, Matthias; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Carbene Complexes of Phosphorus(V) Fluorides by Oxidative Addition of 2,2-Difluorobis(dialkylamines) to Phosphorus(III) Halides","Organometallics","2012","31","4","1278","","10.1021/om2009827","","","0.71073","MoKα","","0.0541","0.0482","","","0.1282","0.1342","","","","","","1.007","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067989","7.594","0.001","9.732","0.002","11.589","0.002","90","","97.8","0.01","90","","848.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 F5 N2 P -","- C5 H10 F5 N2 P -","- C20 H40 F20 N8 P4 -","4","1","","Böttcher, Tobias; Shyshkov, Oleg; Bremer, Matthias; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Carbene Complexes of Phosphorus(V) Fluorides by Oxidative Addition of 2,2-Difluorobis(dialkylamines) to Phosphorus(III) Halides","Organometallics","2012","31","4","1278","","10.1021/om2009827","","","0.71073","MoKα","","0.054","0.0473","","","0.1326","0.1373","","","","","","1.028","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067990","10.6002","0.0006","15.8393","0.0005","26.9465","0.0012","90","","93.51","0.005","90","","4515.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H8 N2 O9 Ru3 -","- C21 H8 N2 O9 Ru3 -","- C168 H64 N16 O72 Ru24 -","8","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pruneda, Vanessa","Reaction of [Ru3(CO)12] with Phenazine: Synthesis of C-Metalated Derivatives That Formally Arise from a C‒H Oxidative Addition or a Long-Distance C-to-N Prototropy","Organometallics","2012","31","3","941","","10.1021/om200983a","","","1.5418","CuKα","","0.1024","0.0573","","","0.0992","0.1229","","","","","","0.926","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067991","10.0952","0.0004","11.9576","0.0007","12.6553","0.0007","103.652","0.005","110.86","0.004","90.282","0.004","1380.54","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H10 Cl2 N2 O11 Ru4 -","- C24 H10 Cl2 N2 O11 Ru4 -","- C48 H20 Cl4 N4 O22 Ru8 -","2","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pruneda, Vanessa","Reaction of [Ru3(CO)12] with Phenazine: Synthesis of C-Metalated Derivatives That Formally Arise from a C‒H Oxidative Addition or a Long-Distance C-to-N Prototropy","Organometallics","2012","31","3","941","","10.1021/om200983a","","","1.5418","CuKα","","0.0558","0.0472","","","0.1243","0.1317","","","","","","1.002","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067992","9.4598","0.0001","14.672","0.0001","27.4455","0.0002","90","","97.234","0.001","90","","3778.95","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N2 O15 Ru6 -","- C33 H22 N2 O15 Ru6 -","- C132 H88 N8 O60 Ru24 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pruneda, Vanessa","Reaction of [Ru3(CO)12] with Phenazine: Synthesis of C-Metalated Derivatives That Formally Arise from a C‒H Oxidative Addition or a Long-Distance C-to-N Prototropy","Organometallics","2012","31","3","941","","10.1021/om200983a","","","1.5418","CuKα","","0.0507","0.0445","","","0.1137","0.1186","","","","","","1.052","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067993","9.6575","0.0003","11.7113","0.0004","17.8592","0.0005","97.498","0.002","101.513","0.002","101.856","0.001","1905.82","0.11","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","pentafluoropropenyltriphenyltin","","- C21 H15 F5 Sn -","- C21 H15 F5 Sn -","- C84 H60 F20 Sn4 -","4","2","","Brisdon, Alan K.; Pritchard, Robin G.; Thomas, Anthony","Pentafluoropropenyl Complexes of Mercury, Germanium, Tin, and Lead Derived from (Z)-CFH═CFCF3and Their Use as Transfer Reagents","Organometallics","2012","31","4","1341","","10.1021/om2009843","","x-ray","0.71073","MoKα","","0.0737","0.0612","","","0.1221","0.1313","","","","","","1.168","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067994","9.6608","0.0003","10.266","0.0003","11.7404","0.0004","109.356","0.001","95.807","0.002","115.144","0.002","953.72","0.06","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","pentafluoropropenyltriphenylgermanium","","- C21 H15 F5 Ge -","- C21 H15 F5 Ge -","- C42 H30 F10 Ge2 -","2","1","","Brisdon, Alan K.; Pritchard, Robin G.; Thomas, Anthony","Pentafluoropropenyl Complexes of Mercury, Germanium, Tin, and Lead Derived from (Z)-CFH═CFCF3and Their Use as Transfer Reagents","Organometallics","2012","31","4","1341","","10.1021/om2009843","","x-ray","0.71073","MoKα","","0.0797","0.0584","","","0.1422","0.1578","","","","","","1.079","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067995","10.8847","0.0004","16.2766","0.0005","18.3614","0.0006","90","","95.684","0.002","90","","3237.02","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 Br O P2 Pd -","- C33 H45 Br O P2 Pd -","- C132 H180 Br4 O4 P8 Pd4 -","4","1","","Bakhmutov, Vladimir I.; Bozoglian, Fernando; Gómez, Kerman; González, Gabriel; Grushin, Vladimir V.; Macgregor, Stuart A.; Martin, Eddy; Miloserdov, Fedor M.; Novikov, Maxim A.; Panetier, Julien A.; Romashov, Leonid V.","CF3‒Ph Reductive Elimination from [(Xantphos)Pd(CF3)(Ph)]","Organometallics","2012","31","4","1315","","10.1021/om200985g","","","0.71073","MoKα","","0.0552","0.0383","","","0.0888","0.0989","","","","","","1.076","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067996","12.6374","0.0003","14.7325","0.0004","22.2696","0.0006","90","","90","","90","","4146.17","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H57 F3 O P2 Pd -","- C46 H57 F3 O P2 Pd -","- C184 H228 F12 O4 P8 Pd4 -","4","1","","Bakhmutov, Vladimir I.; Bozoglian, Fernando; Gómez, Kerman; González, Gabriel; Grushin, Vladimir V.; Macgregor, Stuart A.; Martin, Eddy; Miloserdov, Fedor M.; Novikov, Maxim A.; Panetier, Julien A.; Romashov, Leonid V.","CF3‒Ph Reductive Elimination from [(Xantphos)Pd(CF3)(Ph)]","Organometallics","2012","31","4","1315","","10.1021/om200985g","","","0.71073","MoKα","","0.023","0.0221","","","0.0564","0.0569","","","","","","1.047","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067997","39.77","0.003","9.2842","0.0004","18.4678","0.0011","90","","92.68","0.006","90","","6811.5","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cl2 F3 O2 P Pd -","- C32 H46 Cl2 F3 O2 P Pd -","- C256 H368 Cl16 F24 O16 P8 Pd8 -","8","1","","Allgeier, Alan M.; Shaw, Bradley J.; Hwang, Tsang-Lin; Milne, Jacqueline E.; Tedrow, Jason S.; Wilde, Christopher N.","Characterization of Two Stable Degradants of PalladiumtBuXPhos Catalyst and a Unique Dearomatization Reaction","Organometallics","2012","31","2","519","","10.1021/om200988f","","x-ray","1.54178","CuKα","","0.1376","0.1061","","","0.2446","0.2637","","","","","","0.934","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067998","8.049","0.002","16.945","0.005","25.181","0.007","79.179","0.004","82.501","0.004","89.99","0.004","3343.5","1.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H46 F3 N O2 P Pd -","- C33 H46 F3 N O2 P Pd -","- C132 H184 F12 N4 O8 P4 Pd4 -","4","2","","Allgeier, Alan M.; Shaw, Bradley J.; Hwang, Tsang-Lin; Milne, Jacqueline E.; Tedrow, Jason S.; Wilde, Christopher N.","Characterization of Two Stable Degradants of PalladiumtBuXPhos Catalyst and a Unique Dearomatization Reaction","Organometallics","2012","31","2","519","","10.1021/om200988f","","x-ray","0.71073","MoKα","","0.1218","0.083","","","0.2015","0.2247","","","","","","1.077","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067999","20.1931","0.0013","12.4763","0.0009","15.8809","0.0011","90","","90.649","0.001","90","","4000.7","0.5","218","2","218","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H22 Cu4 F20 N2 -","- C39 H10 Cu4 F20 N2 -","- C156 H40 Cu16 F80 N8 -","4","0.5","","Doshi, Ami; Sundararaman, Anand; Venkatasubbaiah, Krishnan; Zakharov, Lev N.; Rheingold, Arnold L.; Myahkostupov, Mykhaylo; Piotrowiak, Piotr; Jäkle, Frieder","Pentafluorophenyl Copper‒Pyridine Complexes: Synthesis, Supramolecular Structures via Cuprophilic and π-Stacking Interactions, and Solid-State Luminescence","Organometallics","2012","31","4","1546","","10.1021/om200989b","","","0.71073","MoKα","","0.041","0.0324","","","0.0938","0.0991","","","","","","1.048","","","","has coordinates,has disorder","178570","2020-10-21","18:00:00",""
"4068000","6.1085","0.0001","7.5034","0.0002","25.0325","0.0005","90","","95.583","0.001","90","","1141.91","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cu F5 N -","- C12 H7 Cu F5 N -","- C48 H28 Cu4 F20 N4 -","4","1","","Doshi, Ami; Sundararaman, Anand; Venkatasubbaiah, Krishnan; Zakharov, Lev N.; Rheingold, Arnold L.; Myahkostupov, Mykhaylo; Piotrowiak, Piotr; Jäkle, Frieder","Pentafluorophenyl Copper‒Pyridine Complexes: Synthesis, Supramolecular Structures via Cuprophilic and π-Stacking Interactions, and Solid-State Luminescence","Organometallics","2012","31","4","1546","","10.1021/om200989b","","","1.54178","CuKα","","0.0263","0.026","","","0.0696","0.0699","","","","","","1.186","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068001","12.5523","0.0002","7.1538","0.0002","24.891","0.0005","90","","98.521","0.001","90","","2210.46","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 Cl Cu F5 N -","- C11 H4 Cl Cu F5 N -","- C88 H32 Cl8 Cu8 F40 N8 -","8","2","","Doshi, Ami; Sundararaman, Anand; Venkatasubbaiah, Krishnan; Zakharov, Lev N.; Rheingold, Arnold L.; Myahkostupov, Mykhaylo; Piotrowiak, Piotr; Jäkle, Frieder","Pentafluorophenyl Copper‒Pyridine Complexes: Synthesis, Supramolecular Structures via Cuprophilic and π-Stacking Interactions, and Solid-State Luminescence","Organometallics","2012","31","4","1546","","10.1021/om200989b","","","1.54178","CuKα","","0.0365","0.0335","","","0.0882","0.0906","","","","","","1.161","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068002","5.9779","0.0004","7.2228","0.0006","13.4698","0.001","91.634","0.002","90.298","0.002","95.32","0.002","578.83","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 Cu F5 N -","- C12 H7 Cu F5 N -","- C24 H14 Cu2 F10 N2 -","2","1","","Doshi, Ami; Sundararaman, Anand; Venkatasubbaiah, Krishnan; Zakharov, Lev N.; Rheingold, Arnold L.; Myahkostupov, Mykhaylo; Piotrowiak, Piotr; Jäkle, Frieder","Pentafluorophenyl Copper‒Pyridine Complexes: Synthesis, Supramolecular Structures via Cuprophilic and π-Stacking Interactions, and Solid-State Luminescence","Organometallics","2012","31","4","1546","","10.1021/om200989b","","","0.71073","MoKα","","0.0464","0.0422","","","0.1168","0.1207","","","","","","1.064","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068003","5.9903","0.0009","7.28","0.001","13.0816","0.0019","88.434","0.002","86.879","0.002","83.596","0.002","565.95","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H4 Cl Cu F5 N -","- C11 H4 Cl Cu F5 N -","- C22 H8 Cl2 Cu2 F10 N2 -","2","1","","Doshi, Ami; Sundararaman, Anand; Venkatasubbaiah, Krishnan; Zakharov, Lev N.; Rheingold, Arnold L.; Myahkostupov, Mykhaylo; Piotrowiak, Piotr; Jäkle, Frieder","Pentafluorophenyl Copper‒Pyridine Complexes: Synthesis, Supramolecular Structures via Cuprophilic and π-Stacking Interactions, and Solid-State Luminescence","Organometallics","2012","31","4","1546","","10.1021/om200989b","","","0.71073","MoKα","","0.0296","0.0275","","","0.075","0.0767","","","","","","1.074","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068004","8.7282","0.0009","24.282","0.003","7.034","0.0007","90","","112.065","0.002","90","","1381.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Cu F5 N2 -","- C16 H8 Cu F5 N2 -","- C64 H32 Cu4 F20 N8 -","4","1","","Doshi, Ami; Sundararaman, Anand; Venkatasubbaiah, Krishnan; Zakharov, Lev N.; Rheingold, Arnold L.; Myahkostupov, Mykhaylo; Piotrowiak, Piotr; Jäkle, Frieder","Pentafluorophenyl Copper‒Pyridine Complexes: Synthesis, Supramolecular Structures via Cuprophilic and π-Stacking Interactions, and Solid-State Luminescence","Organometallics","2012","31","4","1546","","10.1021/om200989b","","","0.71073","MoKα","","0.0368","0.0272","","","0.0628","0.0649","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068005","25.203","0.003","26.186","0.002","13.8835","0.0015","90","","90","","90","","9162.6","1.6","146","2","146","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C78 H125 N O17 Pd2 -","- C78 H120 N O17 Pd2 -","- C312 H480 N4 O68 Pd8 -","4","1","","Hashmi, A. Stephen K.; Grundl, Marc A.; Riedel, Dominic; Rudolph, Matthias; Bats, Jan W.","A Highly Diastereoselective Recognition Process as the Basis for the Resolution of Palladatricyclo[4.1.0.02,4]heptanes","Organometallics","2012","31","2","523","","10.1021/om2009952","","","0.71073","MoKα","","0.0659","0.0421","","","0.0786","0.0843","","","","","","1.079","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068006","7.1069","0.0003","10.2591","0.0005","14.0287","0.0006","82.28","0.004","77.127","0.004","89.703","0.004","987.77","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O5 Pd -","- C20 H21 N O5 Pd -","- C40 H42 N2 O10 Pd2 -","2","1","","Grande, Loreto; Serrano, Elena; Cuesta, Luciano; Urriolabeitia, Esteban P.","Regioselective CH Bond Activation on Stabilized Nitrogen Ylides Promoted by Pd(II) Complexes: Scope and Limitations","Organometallics","2012","31","1","394","","10.1021/om201001c","","","0.71073","MoKα","","0.0321","0.0245","","","0.055","0.0563","","","","","","0.994","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068007","13.266","0.005","13.365","0.005","20.934","0.008","90","","102.354","0.012","90","","3626","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F6 N5 O4 Pd -","- C35 H37 F6 N5 O4 Pd -","- C140 H148 F24 N20 O16 Pd4 -","4","1","","Yuan, Dan; Huynh, Han Vinh","1,2,3-Triazolin-5-ylidenes: Synthesis of Hetero-bis(carbene) Pd(II) Complexes, Determination of Donor Strengths, and Catalysis","Organometallics","2012","31","1","405","","10.1021/om2010029","","","0.71073","MoKα","","0.0842","0.0612","","","0.1384","0.1482","","","","","","1.064","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068008","15.14","0.002","15.14","0.002","9.62","0.0019","90","","90","","90","","2205.1","0.6","193","2","193","2","","","","","","","","8","P 42 b c","P 4c -2ab","106","","","","- C21 H19 B2 Co F8 Fe N O -","- C21 H19 B2 Co F8 Fe N O -","- C84 H76 B8 Co4 F32 Fe4 N4 O4 -","4","0.5","","Huesmann, Hannah; Förster, Christoph; Siebler, Daniel; Gasi, Teuta; Heinze, Katja","Amide-Linked Heterobi- and Heterotermetallocenes with Very Low HOMO‒LUMO Gaps","Organometallics","2012","31","1","413","","10.1021/om201007g","","","0.71073","MoKα","","0.0839","0.0397","","","0.1021","0.1285","","","","","","1.007","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068009","22.8143","0.0017","14.3274","0.001","9.4404","0.0007","90","","99.056","0.002","90","","3047.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Fe N2 O S -","- C34 H38 Fe N2 O S -","- C136 H152 Fe4 N8 O4 S4 -","4","1","","Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation","Organometallics","2012","31","1","428","","10.1021/om201010a","","","0.71073","MoKα","","0.0801","0.0624","","","0.171","0.1898","","","","","","1.153","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068010","23.433","0.003","15.0754","0.0019","9.029","0.0011","90","","98.591","0.002","90","","3153.8","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H39 Fe N2 P S -","- C33 H39 Fe N2 P S -","- C132 H156 Fe4 N8 P4 S4 -","4","1","","Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation","Organometallics","2012","31","1","428","","10.1021/om201010a","","","0.71073","MoKα","","0.0678","0.0503","","","0.1138","0.1215","","","","","","0.969","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068011","10.1974","0.0006","19.5763","0.0011","18.7992","0.001","90","","93.037","0.001","90","","3747.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 Fe N4 S -","- C41 H50 Fe N4 S -","- C164 H200 Fe4 N16 S4 -","4","1","","Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation","Organometallics","2012","31","1","428","","10.1021/om201010a","","","0.71073","MoKα","","0.0618","0.0409","","","0.0992","0.1053","","","","","","0.929","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068012","10.8768","0.0011","12.2257","0.0013","19.093","0.002","82.156","0.002","73.616","0.002","74.264","0.002","2339.6","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H57 Fe N5 S -","- C57 H57 Fe N5 S -","- C114 H114 Fe2 N10 S2 -","2","1","","Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation","Organometallics","2012","31","1","428","","10.1021/om201010a","","","0.71073","MoKα","","0.0581","0.0442","","","0.1276","0.1398","","","","","","1.037","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068013","10.7558","0.0014","16.702","0.002","21.381","0.003","90","","102.326","0.002","90","","3752.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Fe N4 S -","- C42 H42 Fe N4 S -","- C168 H168 Fe4 N16 S4 -","4","1","","Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation","Organometallics","2012","31","1","428","","10.1021/om201010a","","","0.71073","MoKα","","0.0544","0.0387","","","0.1071","0.1221","","","","","","1.082","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068014","10.0811","0.0008","14.9136","0.0012","21.555","0.002","104.43","0.002","97.897","0.002","109.422","0.001","2872.5","0.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H77 Fe N4 O S2 -","- C67 H70 Fe N4 O S2 -","- C134 H140 Fe2 N8 O2 S4 -","2","1","","Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation","Organometallics","2012","31","1","428","","10.1021/om201010a","","","0.71073","MoKα","","0.0823","0.0616","","","0.1797","0.2119","","","","","","1.029","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068015","9.9455","0.0012","11.2972","0.0014","12.5726","0.0016","93.862","0.002","101.938","0.002","114.463","0.002","1239.3","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Fe N4 S2 -","- C60 H62 Fe N4 S2 -","- C60 H62 Fe N4 S2 -","1","0.5","","Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity Study of Iron(II) Complexes with Bulky Bis(anilido)thioether Ligation","Organometallics","2012","31","1","428","","10.1021/om201010a","","","0.71073","MoKα","","0.0549","0.0446","","","0.1323","0.146","","","","","","0.999","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068016","18.609","0.004","12.831","0.003","17.548","0.004","90","","102.841","0.003","90","","4085.2","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 N2 Th -","- C44 H66 N2 Th -","- C176 H264 N8 Th4 -","4","1","","Ren, Wenshan; Zi, Guofu; Walter, Marc D.","Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand","Organometallics","2012","31","2","672","","10.1021/om201015f","","","0.71073","MoKα","","0.069","0.046","","","0.1021","0.1117","","","","","","1.008","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068017","10.1705","0.0018","17.003","0.002","19.449","0.003","90","","90","","90","","3363.3","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 F2 Th -","- C34 H58 F2 Th -","- C136 H232 F8 Th4 -","4","1","","Ren, Wenshan; Zi, Guofu; Walter, Marc D.","Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand","Organometallics","2012","31","2","672","","10.1021/om201015f","","","0.71075","MoKα","","0.071","0.0687","","","0.1626","0.1649","","","","","","1.041","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068018","10.6319","0.0011","20.767","0.002","32.426","0.003","90","","98.698","0.001","90","","7077.1","1.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Br2 Th -","- C34 H58 Br2 Th -","- C272 H464 Br16 Th8 -","8","2","","Ren, Wenshan; Zi, Guofu; Walter, Marc D.","Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand","Organometallics","2012","31","2","672","","10.1021/om201015f","","","0.71075","MoKα","","0.0472","0.039","","","0.0825","0.0859","","","","","","1.063","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068019","10.729","0.0007","23.149","0.0014","21.7431","0.0011","90","","112.644","0.002","90","","4984","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H79 N Th -","- C59 H79 N Th -","- C236 H316 N4 Th4 -","4","1","","Ren, Wenshan; Zi, Guofu; Walter, Marc D.","Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand","Organometallics","2012","31","2","672","","10.1021/om201015f","","","0.71073","MoKα","","0.0421","0.0304","","","0.0595","0.0631","","","","","","0.998","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068020","10.2478","0.0019","19.685","0.004","20.358","0.004","90","","114.909","0.008","90","","3724.8","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H67 N Si Th -","- C37 H67 N Si Th -","- C148 H268 N4 Si4 Th4 -","4","1","","Ren, Wenshan; Zi, Guofu; Walter, Marc D.","Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand","Organometallics","2012","31","2","672","","10.1021/om201015f","","","0.71073","MoKα","","0.0496","0.0331","","","0.0624","0.0679","","","","","","0.981","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068021","10.456","0.001","30.093","0.004","17.748","0.002","90","","123.453","0.005","90","","4659.3","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 N2 O Se3 Th -","- C49 H60 N2 O Se3 Th -","- C196 H240 N8 O4 Se12 Th4 -","4","1","","Ren, Wenshan; Zi, Guofu; Walter, Marc D.","Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand","Organometallics","2012","31","2","672","","10.1021/om201015f","","","0.71073","MoKα","","0.0672","0.0427","","","0.0749","0.0835","","","","","","0.965","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068022","21.603","0.003","9.0336","0.0014","15.862","0.002","90","","105.185","0.003","90","","2987.4","0.7","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 -","- C34 H58 -","- C136 H232 -","4","1","","Ren, Wenshan; Zi, Guofu; Walter, Marc D.","Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand","Organometallics","2012","31","2","672","","10.1021/om201015f","","","0.71073","MoKα","","0.0812","0.0504","","","0.1144","0.1293","","","","","","1.036","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068023","20.377","0.0019","17.9161","0.0017","33.864","0.003","90","","90","","90","","12363","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H58 B Cu O P4 -","- C67 H58 B Cu O P4 -","- C536 H464 B8 Cu8 O8 P32 -","8","1","","Ángeles Fuentes, M.; Álvarez, Eleuterio; Caballero, Ana; Pérez, Pedro J.","[(PhBP3)Cu(PPh3)] as a Surrogate of TpxCuL in Homogeneous Catalysis (PhBP3= PhB(CH2PPh2)3; Tpx= Hydrotrispyrazolylborate)","Organometallics","2012","31","3","959","","10.1021/om201016b","","","0.71073","MoKα","","0.0938","0.062","","","0.1453","0.1921","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068024","12.6963","0.001","20.8476","0.0016","9.6062","0.0008","90","","106.664","0.001","90","","2435.9","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 Ni O -","- C27 H32 N2 Ni O -","- C108 H128 N8 Ni4 O4 -","4","1","","Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng","Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts","Organometallics","2012","31","3","966","","10.1021/om2010194","","","0.71073","MoKα","","0.0656","0.0425","","","0.101","0.1118","","","","","","1.009","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068025","9.7228","0.0006","12.8586","0.0007","13.0135","0.0008","60.709","0.001","85.788","0.001","69.607","0.001","1320.62","0.14","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 Ni O -","- C31 H34 N2 Ni O -","- C62 H68 N4 Ni2 O2 -","2","1","","Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng","Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts","Organometallics","2012","31","3","966","","10.1021/om2010194","","","0.71073","MoKα","","0.0408","0.0342","","","0.0884","0.0925","","","","","","1.032","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068026","10.887","0.0006","13.3072","0.0008","13.5337","0.0008","70.683","0.001","74.156","0.001","71.136","0.001","1720.4","0.17","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 N2 Ni O -","- C35 H36 N2 Ni O -","- C70 H72 N4 Ni2 O2 -","2","1","","Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng","Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts","Organometallics","2012","31","3","966","","10.1021/om2010194","","","0.71073","MoKα","","0.0379","0.0337","","","0.0882","0.0906","","","","","","1.068","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068027","20.7171","0.0017","14.5516","0.0012","17.51","0.0015","90","","97.569","0.001","90","","5232.7","0.8","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N2 Ni O2 -","- C28 H34 N2 Ni O2 -","- C224 H272 N16 Ni8 O16 -","8","1","","Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng","Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts","Organometallics","2012","31","3","966","","10.1021/om2010194","","","0.71073","MoKα","","0.0535","0.0405","","","0.1033","0.1105","","","","","","1.034","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4068028","20.8591","0.0017","15.3042","0.0012","34.431","0.003","90","","102.402","0.002","90","","10735","1.5","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 F3 N2 Ni O -","- C28 H31 F3 N2 Ni O -","- C448 H496 F48 N32 Ni16 O16 -","16","2","","Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng","Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts","Organometallics","2012","31","3","966","","10.1021/om2010194","","","0.71073","MoKα","","0.1246","0.0723","","","0.1648","0.1937","","","","","","1.015","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068029","10.4168","0.0007","24.7978","0.0018","14.408","0.001","90","","96.62","0.001","90","","3697","0.4","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H48 N Ni O P -","- C43 H48 N Ni O P -","- C172 H192 N4 Ni4 O4 P4 -","4","1","","Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng","Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts","Organometallics","2012","31","3","966","","10.1021/om2010194","","","0.71073","MoKα","","0.0907","0.0491","","","0.0925","0.1054","","","","","","0.968","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068030","13.5194","0.0005","11.3647","0.0004","25.5163","0.0009","90","","89.924","0.001","90","","3920.4","0.2","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 N Ni O P -","- C49 H46 N Ni O P -","- C196 H184 N4 Ni4 O4 P4 -","4","1","","Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng","Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts","Organometallics","2012","31","3","966","","10.1021/om2010194","","","0.71073","MoKα","","0.0386","0.0321","","","0.0837","0.0873","","","","","","1.035","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068031","11.6683","0.0003","22.316","0.0003","17.185","0.0003","90","","105.618","0.0007","90","","4309.58","0.15","150.2","","150.2","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 Cl2 F3 I N O P2 Pd -","- C46 H39 Cl2 F3 I N O P2 Pd -","- C184 H156 Cl8 F12 I4 N4 O4 P8 Pd4 -","4","1","","Amii, Hideki; Kageyama, Katsuhiko; Kishikawa, Yosuke; Hosokawa, Tsuyoshi; Morioka, Ryo; Katagiri, Toshimasa; Uneyama, Kenji","Preparation, Structure, and Reactions of Trifluoroacetimidoyl Palladium(II) Complexes","Organometallics","2012","31","4","1281","","10.1021/om201021b","","","0.7107","MoKα","","","0.0981","","","0.0125","","","","","1.133","1.133","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068032","18.6641","0.0006","14.0538","0.0005","19.4447","0.0005","90","","108.495","0.002","90","","4836.9","0.3","288.2","","288.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 F3 I N O Pd -","- C9 H7 F3 I N O Pd -","- C144 H112 F48 I16 N16 O16 Pd16 -","16","2","","Amii, Hideki; Kageyama, Katsuhiko; Kishikawa, Yosuke; Hosokawa, Tsuyoshi; Morioka, Ryo; Katagiri, Toshimasa; Uneyama, Kenji","Preparation, Structure, and Reactions of Trifluoroacetimidoyl Palladium(II) Complexes","Organometallics","2012","31","4","1281","","10.1021/om201021b","","","0.7107","MoKα","","","0.0516","","","0.055","","","","","1.218","1.218","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068033","14.463","0.002","15.9234","0.0015","21.582","0.004","90","","90","","90","","4970.3","1.2","130","2","130","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","[{(dippe)Ni}2(η2-Cα,Cβ- bis-(4-methyl styryl)ketone)]","","- C47 H82 Ni2 O P4 -","- C47 H82 Ni2 O P4 -","- C188 H328 Ni8 O4 P16 -","4","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J.","Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol","Organometallics","2012","31","2","680","","10.1021/om2010222","","x-ray","0.71073","MoKα","","0.0686","0.0511","","","0.1245","0.1431","","","","","","1.021","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068034","12.2168","0.0004","32.5462","0.001","12.9459","0.0005","90","","100.724","0.004","90","","5057.5","0.3","130","2","130","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","[{(dippe)Ni}2(ηe2-Cα,Cβ-bis-(4-methoxybenzylidene)acetone)]","","- C47 H82 Ni2 O3 P4 -","- C47 H82 Ni2 O3 P4 -","- C188 H328 Ni8 O12 P16 -","4","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J.","Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol","Organometallics","2012","31","2","680","","10.1021/om2010222","","x-ray","0.71073","MoKα","","0.0954","0.0688","","","0.1592","0.1687","","","","","","1.054","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068035","15.4669","0.0004","9.5163","0.0003","20.2315","0.0012","90","","90","","90","","2977.8","0.2","130","2","130","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","[(dippe)Ni(η2-Cα,Cβ-dibenzylideneacetone)]","","- C31 H46 Ni O P2 -","- C31 H46 Ni O P2 -","- C124 H184 Ni4 O4 P8 -","4","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J.","Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol","Organometallics","2012","31","2","680","","10.1021/om2010222","","x-ray","0.71073","MoKα","","0.0338","0.0279","","","0.0592","0.0602","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068036","8.1474","0.0002","8.7859","0.0002","22.8434","0.0008","81.053","0.003","85.32","0.002","83.291","0.002","1600.87","0.08","126","2","126","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[(dippe)Ni(η2-Cα,Cβ- bis-(4-methyl styryl)ketone)]","","- C33 H50 Ni O P2 -","- C33 H50 Ni O P2 -","- C66 H100 Ni2 O2 P4 -","2","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J.","Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol","Organometallics","2012","31","2","680","","10.1021/om2010222","","x-ray","0.71073","MoKα","","0.0485","0.0342","","","0.0844","0.0881","","","","","","1.015","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068037","8.351","0.0004","8.7651","0.0005","22.6641","0.0012","79.568","0.004","84.781","0.004","85.861","0.004","1622.14","0.15","125","2","125","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[(dippe)Ni(η2-Cα,Cβ-bis-(4-methoxybenzylidene)acetone)]","","- C33 H50 Ni O3 P2 -","- C33 H50 Ni O3 P2 -","- C66 H100 Ni2 O6 P4 -","2","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J.","Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol","Organometallics","2012","31","2","680","","10.1021/om2010222","","x-ray","0.71073","MoKα","","0.0468","0.0338","","","0.0803","0.0825","","","","","","0.981","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068038","11.853","0.002","12.584","0.003","12.958","0.003","70.2","0.04","66","0.03","65.59","0.03","1573.7","0.8","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 B22 Br22 Cs2 Hg O4 -","- C14 H24 B22 Br22 Cs2 Hg O4 -","- C14 H24 B22 Br22 Cs2 Hg O4 -","1","0.5","","Himmelspach, Alexander; Sprenger, Jan A. P.; Warneke, Jonas; Zähres, Manfred; Finze, Maik","Mercury(II) Complexes of the Carba-closo-dodecaboranyl Ligands [closo-1-CB11X11]2‒(X = H, F, Cl, Br, I)","Organometallics","2012","31","4","1566","","10.1021/om201023h","","","0.71073","MoKα","","0.0754","0.0435","","","0.0981","0.1192","","","","","","1.045","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068039","9.1445","0.0018","9.4393","0.0019","14.881","0.003","79.62","0.03","73.49","0.03","66.73","0.03","1128","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H3 B22 Cl22 Cs2 Hg N -","- C4 H3 B22 Cl22 Cs2 Hg N -","- C4 H3 B22 Cl22 Cs2 Hg N -","1","0.5","","Himmelspach, Alexander; Sprenger, Jan A. P.; Warneke, Jonas; Zähres, Manfred; Finze, Maik","Mercury(II) Complexes of the Carba-closo-dodecaboranyl Ligands [closo-1-CB11X11]2‒(X = H, F, Cl, Br, I)","Organometallics","2012","31","4","1566","","10.1021/om201023h","","","0.71073","MoKα","","0.0498","0.0423","","","0.113","0.1278","","","","","","1.127","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068040","13.1322","0.0008","11.419","0.0005","11.7541","0.0006","90","","115.264","0.007","90","","1594.01","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H42 B22 Cs2 Hg O2 -","- C10 H42 B22 Cs2 Hg O2 -","- C20 H84 B44 Cs4 Hg2 O4 -","2","0.5","","Himmelspach, Alexander; Sprenger, Jan A. P.; Warneke, Jonas; Zähres, Manfred; Finze, Maik","Mercury(II) Complexes of the Carba-closo-dodecaboranyl Ligands [closo-1-CB11X11]2‒(X = H, F, Cl, Br, I)","Organometallics","2012","31","4","1566","","10.1021/om201023h","","","0.71073","MoKα","","0.0228","0.0186","","","0.039","0.0395","","","","","","1.044","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068041","15.261","0.003","9.556","0.0019","20.195","0.004","90","","108.83","0.03","90","","2787.5","1.1","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 B11 Br11 Cs Hg -","- C7 H5 B11 Br11 Cs Hg -","- C28 H20 B44 Br44 Cs4 Hg4 -","4","1","","Himmelspach, Alexander; Sprenger, Jan A. P.; Warneke, Jonas; Zähres, Manfred; Finze, Maik","Mercury(II) Complexes of the Carba-closo-dodecaboranyl Ligands [closo-1-CB11X11]2‒(X = H, F, Cl, Br, I)","Organometallics","2012","31","4","1566","","10.1021/om201023h","","","0.71073","MoKα","","0.1281","0.082","","","0.1792","0.1979","","","","","","1.19","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068042","10.908","0.002","17.524","0.004","13.362","0.003","90","","101.36","0.03","90","","2504.1","1","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H78 B22 Hg2 N2 O -","- C33 H78 B22 Hg2 N2 O -","- C66 H156 B44 Hg4 N4 O2 -","2","1","","Himmelspach, Alexander; Sprenger, Jan A. P.; Warneke, Jonas; Zähres, Manfred; Finze, Maik","Mercury(II) Complexes of the Carba-closo-dodecaboranyl Ligands [closo-1-CB11X11]2‒(X = H, F, Cl, Br, I)","Organometallics","2012","31","4","1566","","10.1021/om201023h","","","0.71073","MoKα","","0.0459","0.037","","","0.0952","0.1177","","","","","","1.082","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068043","7.8443","0.0003","9.923","0.0004","12.8246","0.0006","81.119","0.001","81.457","0.001","70.851","0.001","926.57","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cl2 N4 O2 Pt -","- C44 H40 Cl2 N4 O2 Pt -","- C44 H40 Cl2 N4 O2 Pt -","1","0.5","","Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Dolgushin, Fedor M.; Tung, Tran Q.; Molchanov, Alexander P.; Kukushkin, Vadim Yu.","Facile and Reversible 1,3-Dipolar Cycloaddition of Aryl Ketonitrones to Platinum(II)-Bound Nitriles: Synthetic, Structural, and Theoretical Studies","Organometallics","2012","31","2","687","","10.1021/om201026n","","","0.71073","MoKα","","0.0234","0.0233","","","0.0503","0.0503","","","","","","1.008","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068044","9.998","0.0004","16.8602","0.0006","15.2853","0.0006","90","","95.302","0.001","90","","2565.59","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl8 N6 O2 Pt -","- C50 H52 Cl8 N6 O2 Pt -","- C100 H104 Cl16 N12 O4 Pt2 -","2","0.5","","Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Dolgushin, Fedor M.; Tung, Tran Q.; Molchanov, Alexander P.; Kukushkin, Vadim Yu.","Facile and Reversible 1,3-Dipolar Cycloaddition of Aryl Ketonitrones to Platinum(II)-Bound Nitriles: Synthetic, Structural, and Theoretical Studies","Organometallics","2012","31","2","687","","10.1021/om201026n","","","0.71073","MoKα","","0.0509","0.0273","","","0.0508","0.0587","","","","","","1.029","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068045","8.2527","0.0009","9.1301","0.001","17.0048","0.0018","92.466","0.002","93.487","0.002","97.665","0.002","1265.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H29 Br2 N3 O2 Pd S2 -","- C21 H29 Br2 N3 O2 Pd S2 -","- C42 H58 Br4 N6 O4 Pd2 S4 -","2","1","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin","Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization","Organometallics","2012","31","3","976","","10.1021/om201027y","","","0.71073","MoKα","","0.0283","0.0254","","","0.0647","0.066","","","","","","1.057","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068046","10.6872","0.0015","11.4989","0.0015","11.8401","0.0016","112.673","0.002","98.655","0.002","98.842","0.002","1291.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H27 Cl2 F6 N4 P Pd -","- C22 H27 Cl2 F6 N4 P Pd -","- C44 H54 Cl4 F12 N8 P2 Pd2 -","2","1","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin","Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization","Organometallics","2012","31","3","976","","10.1021/om201027y","","","0.71073","MoKα","","0.0291","0.0261","","","0.0652","0.0668","","","","","","1.061","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068047","9.4553","0.001","11.9013","0.0012","14.6164","0.0015","81.319","0.002","81.008","0.002","72.485","0.002","1539.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 F12 N6 P2 Pd -","- C24 H28 F12 N6 P2 Pd -","- C48 H56 F24 N12 P4 Pd2 -","2","1","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin","Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization","Organometallics","2012","31","3","976","","10.1021/om201027y","","","0.71073","MoKα","","0.0263","0.025","","","0.0642","0.065","","","","","","1.059","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068048","13.2126","0.0003","11.4202","0.0003","19.3576","0.0005","90","","99.506","0.002","90","","2880.77","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 F6 N4 P Pd -","- C28 H31 F6 N4 P Pd -","- C112 H124 F24 N16 P4 Pd4 -","4","1","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin","Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization","Organometallics","2012","31","3","976","","10.1021/om201027y","","","0.71073","MoKα","","0.0272","0.0231","","","0.056","0.0587","","","","","","1.051","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068049","12.6559","0.0003","14.9426","0.0003","12.3617","0.0003","90","","105.147","0.003","90","","2256.53","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 F6 N4 P Pd -","- C20 H23 F6 N4 P Pd -","- C80 H92 F24 N16 P4 Pd4 -","4","1","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin","Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization","Organometallics","2012","31","3","976","","10.1021/om201027y","","","0.71073","MoKα","","0.0306","0.0244","","","0.0568","0.0608","","","","","","1.081","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068050","7.7554","0.0002","9.2465","0.0003","15.3961","0.0005","75.065","0.003","79.798","0.002","88.517","0.002","1049.67","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Br Cl2 N3 Pd -","- C19 H22 Br Cl2 N3 Pd -","- C38 H44 Br2 Cl4 N6 Pd2 -","2","1","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin","Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization","Organometallics","2012","31","3","976","","10.1021/om201027y","","","0.71073","MoKα","","0.0378","0.0285","","","0.0543","0.0586","","","","","","1.038","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068051","10.491","0.003","20.997","0.004","11.263","0.003","90","","90.03","0.03","90","","2481","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 Cl N2 Pd -","- C28.839 H27 Cl1.161 N2 Pd -","- C115.356 H108 Cl4.644 N8 Pd4 -","4","2","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin","Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization","Organometallics","2012","31","3","976","","10.1021/om201027y","","","0.71073","MoKα","","0.0656","0.0429","","","0.0901","0.0957","","","","","","0.916","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068052","12.613","0.002","11.307","0.002","21.148","0.002","90","","104.57","0.02","90","","2919","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H82 Cl2 N8 Si4 -","- C52 H82 Cl2 N8 Si4 -","- C104 H164 Cl4 N16 Si8 -","2","0.5","","Sen, Sakya S.; Hey, Jakob; Kratzert, Daniel; Roesky, Herbert W.; Stalke, Dietmar","A Remarkable End-On Activation of Diazoalkane and Cleavage of Both C‒Cl Bonds of Dichloromethane with a Silylene to a Single Product with Five-Coordinate Silicon Atoms","Organometallics","2012","31","1","435","","10.1021/om201031n","","","0.71073","MoKα","","0.0526","0.0404","","","0.0993","0.1101","","","","","","1.059","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068053","14.8427","0.0007","13.6256","0.0007","17.5591","0.0008","90","","100.029","0.002","90","","3496.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Cl4 N4 Si2 -","- C31 H48 Cl4 N4 Si2 -","- C124 H192 Cl16 N16 Si8 -","4","1","","Sen, Sakya S.; Hey, Jakob; Kratzert, Daniel; Roesky, Herbert W.; Stalke, Dietmar","A Remarkable End-On Activation of Diazoalkane and Cleavage of Both C‒Cl Bonds of Dichloromethane with a Silylene to a Single Product with Five-Coordinate Silicon Atoms","Organometallics","2012","31","1","435","","10.1021/om201031n","","","0.71073","MoKα","","0.0288","0.0251","","","0.0655","0.0678","","","","","","1.029","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068054","18.9734","0.0006","9.1982","0.0003","19.561","0.0007","90","","93.692","0.002","90","","3406.7","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 N Ni O2 P2 -","- C38 H39 N Ni O2 P2 -","- C152 H156 N4 Ni4 O8 P8 -","4","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.1853","0.0921","","","0.2045","0.2675","","","","","","1.006","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068055","10.0031","0.0002","16.4058","0.0004","18.7458","0.0005","64.688","0.001","75.422","0.001","90.006","0.001","2670.99","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 N Ni O2 P2 -","- C26 H37 N Ni O2 P2 -","- C104 H148 N4 Ni4 O8 P8 -","4","2","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.1671","0.1348","","","0.3727","0.3947","","","","","","1.141","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068056","9.344","0.0006","30.669","0.0019","43.427","0.0019","90","","90","0.003","90","","12444.9","1.2","200","2","200","2","","","","","","","","6","F 2 d d","F -2d 2","43","","","","- C34 H39 N Ni O1.5 P2 -","- C34 H39 N Ni O1.5 P2 -","- C544 H624 N16 Ni16 O24 P32 -","16","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","mokα","","0.214","0.0956","","","0.1863","0.251","","","","","","1.027","","","","has coordinates","264242","2021-04-16","08:49:44",""
"4068057","12.3301","0.0002","9.8228","0.0002","21.4679","0.0004","90","","96.656","0.001","90","","2582.58","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 N Ni O P2 -","- C26 H39 N Ni O P2 -","- C104 H156 N4 Ni4 O4 P8 -","4","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.0402","0.0318","","","0.0817","0.0865","","","","","","1.081","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068058","9.7027","0.0003","12.0266","0.0004","17.079","0.0007","100.155","0.002","93.943","0.002","94.441","0.002","1948.94","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 N Ni O P2 -","- C43 H51 N Ni O P2 -","- C86 H102 N2 Ni2 O2 P4 -","2","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.1024","0.0637","","","0.1517","0.1908","","","","","","1.128","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068059","10.4401","0.0003","11.1317","0.0003","16.0117","0.0005","92.613","0.001","96.759","0.001","105.773","0.002","1772.43","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 N Ni O P2 -","- C41 H46 N Ni O P2 -","- C82 H92 N2 Ni2 O2 P4 -","2","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.0806","0.0551","","","0.145","0.1708","","","","","","1.087","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4068060","10.804","0.0003","16.496","0.0011","22.579","0.0005","90","","76.16","","90","","3907.3","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 N Ni O3 P2 -","- C47 H39 N Ni O3 P2 -","- C188 H156 N4 Ni4 O12 P8 -","4","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.0673","0.0426","","","0.1026","0.1166","","","","","","1.029","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068061","9.6323","0.0001","18.6467","0.0003","22.6508","0.0004","90","","100.805","0.001","90","","3996.2","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 N2 Ni O2 P2 -","- C47 H42 N2 Ni O2 P2 -","- C188 H168 N8 Ni4 O8 P8 -","4","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.0858","0.0599","","","0.1526","0.1718","","","","","","1.073","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068062","9.9589","0.0004","28.2374","0.0015","13.0891","0.0007","90","","110.598","0.002","90","","3445.5","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H48 N2 Ni O P2 -","- C37 H48 N2 Ni O P2 -","- C148 H192 N8 Ni4 O4 P8 -","4","2","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.2418","0.1134","","","0.1944","0.2566","","","","","","1.024","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068063","14.6381","0.0006","19.0373","0.0008","19.6577","0.0011","90","","90","","90","","5478","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H35 N Ni P2 -","- C31 H35 N Ni P2 -","- C248 H280 N8 Ni8 P16 -","8","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.1298","0.0674","","","0.1604","0.2074","","","","","","1.098","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068064","7.5122","0.0001","18.2898","0.0004","15.6915","0.0003","90","","97.388","0.001","90","","2138.06","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O5 W -","- C23 H25 N O5 W -","- C92 H100 N4 O20 W4 -","4","1","","Khosla, Chetna; Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonate) Tungsten(IV) Complexes Containing a π-Basic Diazoalkane or Oxo Ligand","Organometallics","2012","31","3","987","","10.1021/om201050j","","","0.71073","MoKα","","0.0395","0.0279","","","0.0516","0.056","","","","","","1.042","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068065","8.3894","0.0008","9.2655","0.0009","27.126","0.003","90","","92.963","0.004","90","","2105.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O5 W -","- C24 H24 O5 W -","- C96 H96 O20 W4 -","4","1","","Khosla, Chetna; Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonate) Tungsten(IV) Complexes Containing a π-Basic Diazoalkane or Oxo Ligand","Organometallics","2012","31","3","987","","10.1021/om201050j","","","0.71073","MoKα","","0.0344","0.0266","","","0.0628","0.0694","","","","","","1.166","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068066","9.995","0.0005","10.7278","0.0005","13.1644","0.0006","96.237","0.003","92.891","0.003","109.044","0.003","1320.84","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Cl2 N2 O5 W -","- C25 H26 Cl2 N2 O5 W -","- C50 H52 Cl4 N4 O10 W2 -","2","1","","Khosla, Chetna; Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonate) Tungsten(IV) Complexes Containing a π-Basic Diazoalkane or Oxo Ligand","Organometallics","2012","31","3","987","","10.1021/om201050j","","","1.54178","CuKα","","0.0254","0.024","","","0.0547","0.0554","","","","","","1.104","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068067","8.1887","0.0003","13.2225","0.0005","16.1876","0.0006","90","","95.298","0.002","90","","1745.23","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O5 W -","- C17 H19 N O5 W -","- C68 H76 N4 O20 W4 -","4","1","","Khosla, Chetna; Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonate) Tungsten(IV) Complexes Containing a π-Basic Diazoalkane or Oxo Ligand","Organometallics","2012","31","3","987","","10.1021/om201050j","","","1.54178","CuKα","","0.0525","0.0474","","","0.1231","0.1268","","","","","","1.079","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068068","7.6148","0.0002","7.8191","0.0002","16.5655","0.0004","96.104","0.001","92.709","0.001","100.728","0.001","961.32","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 N O5 W -","- C18 H23 N O5 W -","- C36 H46 N2 O10 W2 -","2","1","","Khosla, Chetna; Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.","Bis(acetylacetonate) Tungsten(IV) Complexes Containing a π-Basic Diazoalkane or Oxo Ligand","Organometallics","2012","31","3","987","","10.1021/om201050j","","","0.71073","MoKα","","0.0178","0.0161","","","0.0365","0.037","","","","","","1.037","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068069","8.5499","0.0005","11.5056","0.0007","11.6973","0.0007","90","","92.589","0.001","90","","1149.51","0.12","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F3 N3 Ti -","- C11 H10 F3 N3 Ti -","- C44 H40 F12 N12 Ti4 -","4","1","","Taw, Felicia L.; Clark, Aurora E.; Mueller, Alexander H.; Janicke, Michael T.; Cantat, Thibault; Scott, Brian L.; Hay, P. Jeffrey; Hughes, Russell P.; Kiplinger, Jaqueline L.","Titanium(IV) Trifluoromethyl Complexes: New Perspectives on Bonding from Organometallic Fluorocarbon Chemistry","Organometallics","2012","31","4","1484","","10.1021/om201055e","","","0.71073","MoKα","","0.0282","0.0251","","","0.0744","0.0761","","","","","","1.226","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068070","6.929","0.0015","12.277","0.002","13.134","0.003","90","","90","","90","","1117.3","0.4","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cl F3 Ti -","- C10.855 H10 Cl1.145 F3 Ti -","- C43.42 H40 Cl4.58 F12 Ti4 -","4","1","","Taw, Felicia L.; Clark, Aurora E.; Mueller, Alexander H.; Janicke, Michael T.; Cantat, Thibault; Scott, Brian L.; Hay, P. Jeffrey; Hughes, Russell P.; Kiplinger, Jaqueline L.","Titanium(IV) Trifluoromethyl Complexes: New Perspectives on Bonding from Organometallic Fluorocarbon Chemistry","Organometallics","2012","31","4","1484","","10.1021/om201055e","","","0.71073","MoKα","","0.0864","0.0612","","","0.1225","0.1299","","","","","","1.229","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068071","27.993","0.004","27.993","0.004","8.8744","0.0012","90","","90","","90","","6954.1","1.7","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C144 H196 Li20 N16 -","- C144 H196 Li20 N16 -","- C288 H392 Li40 N32 -","2","0.25","","Pöppler, Ann-Christin; Meinholz, Margret M.; Faßhuber, Hannes; Lange, Adam; John, Michael; Stalke, Dietmar","Mixed Crystalline Lithium Organics and Interconversion in Solution","Organometallics","2012","31","1","42","","10.1021/om2010639","","","0.71073","MoKα","","0.0457","0.0379","","","0.0912","0.095","","","","","","1.08","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068072","49.128","0.003","5.709","0.0003","36.0273","0.0017","90","","125.257","0.003","90","","8251.2","0.8","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Fe N3 O3 -","- C23 H23 Fe N3 O3 -","- C368 H368 Fe16 N48 O48 -","16","2","","Thakur, Arunabha; Ghosh, Sundargopal","An Efficient Ferrocene Derivative as a Chromogenic, Optical, and Electrochemical Receptor for Selective Recognition of Mercury(II) in an Aqueous Environment","Organometallics","2012","31","3","819","","10.1021/om201073g","","","0.71073","MoKα","","0.0705","0.0355","","","0.0474","0.0496","","","","","","0.954","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068073","54.785","0.004","25.759","0.002","38.85","0.005","90","","131.353","0.001","90","","41155","7","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H168 Cl6 F18 Ir6 N18 O19 S6 -","- C178 H166 Cl3 F15 Ir6 N18 O16 S5 -","- C1424 H1328 Cl24 F120 Ir48 N144 O128 S40 -","8","1","","Han, Ying-Feng; Lin, Yue-Jian; Hor, T. S. Andy; Jin, Guo-Xin","Efficient Route to Organometallic Cage Formation via C‒H Activation-Directed Muticomponent Assembly Accompanying Aromatic Guest Encapsulation","Organometallics","2012","31","3","995","","10.1021/om201074k","","","0.71073","MoKα","","0.2039","0.0878","","","0.2105","0.2523","","","","","","0.828","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068074","37.877","0.008","20.798","0.005","30.783","0.012","90","","116.856","0.002","90","","21634","11","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C198 H204 F18 Ir6 N18 O24 S6 -","- C196 H188 F12 Ir6 N18 O18 S4 -","- C784 H752 F48 Ir24 N72 O72 S16 -","4","0.5","","Han, Ying-Feng; Lin, Yue-Jian; Hor, T. S. Andy; Jin, Guo-Xin","Efficient Route to Organometallic Cage Formation via C‒H Activation-Directed Muticomponent Assembly Accompanying Aromatic Guest Encapsulation","Organometallics","2012","31","3","995","","10.1021/om201074k","","","0.71073","MoKα","","0.1313","0.085","","","0.2252","0.2528","","","","","","1.042","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068075","56.022","0.004","25.982","0.002","38.976","0.003","90","","131.891","0.001","90","","42232","6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H178 F18 Ir6 N18 O18 S6 -","- C182 H178 F12 Ir6 N18 O12 S4 -","- C1456 H1424 F96 Ir48 N144 O96 S32 -","8","1","","Han, Ying-Feng; Lin, Yue-Jian; Hor, T. S. Andy; Jin, Guo-Xin","Efficient Route to Organometallic Cage Formation via C‒H Activation-Directed Muticomponent Assembly Accompanying Aromatic Guest Encapsulation","Organometallics","2012","31","3","995","","10.1021/om201074k","","","0.71073","MoKα","","0.1394","0.0789","","","0.1978","0.229","","","","","","0.874","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068076","17.5094","0.0002","15.9826","0.0002","18.311","0.0002","90","","90","","90","","5124.26","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H38 F6 Os P2 -","- C23 H38 F6 Os P2 -","- C184 H304 F48 Os8 P16 -","8","1","","Esteruelas, Miguel A.; López, Ana M.; Mozo, Silvia; Oñate, Enrique","Formation of Osmium-Allylphosphinomethanide Complexes by Coupling of an Isopropenyldiisopropylphosphine and Monosubstituted Allenes","Organometallics","2012","31","1","440","","10.1021/om201077b","","","0.7107","MoKα","","0.0786","0.0351","","","0.0781","0.0836","","","","","","0.981","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068077","19.3084","0.0017","16.0356","0.0014","19.7029","0.0017","90","","116.683","0.001","90","","5450.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H50 B F24 Os P -","- C55 H50 B F24 Os P -","- C220 H200 B4 F96 Os4 P4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mozo, Silvia; Oñate, Enrique","Formation of Osmium-Allylphosphinomethanide Complexes by Coupling of an Isopropenyldiisopropylphosphine and Monosubstituted Allenes","Organometallics","2012","31","1","440","","10.1021/om201077b","","","0.71073","MoKα","","0.0629","0.0403","","","0.091","0.1021","","","","","","0.977","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068078","9.5868","0.0017","14.893","0.002","12.1232","0.0018","90","","108.183","0.013","90","","1644.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H56 Mg4 O4 -","- C24 H56 Mg4 O4 -","- C48 H112 Mg8 O8 -","2","0.5","","Blasberg, Florian; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","An Approach to Pin Down the Solid-State Structure of the “Turbo Grignard”","Organometallics","2012","31","3","1001","","10.1021/om201080t","","","0.71073","MoKα","","0.117","0.0559","","","0.115","0.1326","","","","","","0.893","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068079","11.9019","0.0012","16.9005","0.0016","10.99","0.001","90","","103.972","0.007","90","","2145.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 Cl6 Mg4 O6 -","- C30 H62 Cl6 Mg4 O6 -","- C60 H124 Cl12 Mg8 O12 -","2","0.5","","Blasberg, Florian; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","An Approach to Pin Down the Solid-State Structure of the “Turbo Grignard”","Organometallics","2012","31","3","1001","","10.1021/om201080t","","","0.71073","MoKα","","0.108","0.0447","","","0.0838","0.0961","","","","","","0.743","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068080","9.635","0.003","11.43","0.005","9.69","0.004","90","","96.2","0.03","90","","1060.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl2 Li2 O4 -","- C16 H32 Cl2 Li2 O4 -","- C32 H64 Cl4 Li4 O8 -","2","0.5","","Blasberg, Florian; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","An Approach to Pin Down the Solid-State Structure of the “Turbo Grignard”","Organometallics","2012","31","3","1001","","10.1021/om201080t","","","0.71073","MoKα","","0.2575","0.152","","","0.2743","0.3411","","","","","","1.044","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068081","11.6858","0.0014","13.7053","0.0017","11.2426","0.0014","90","","100.157","0.009","90","","1772.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Cl2 Mg2 O2 Si4 -","- C22 H54 Cl2 Mg2 O2 Si4 -","- C44 H108 Cl4 Mg4 O4 Si8 -","2","0.5","","Blasberg, Florian; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","An Approach to Pin Down the Solid-State Structure of the “Turbo Grignard”","Organometallics","2012","31","3","1001","","10.1021/om201080t","","","0.71073","MoKα","","0.1469","0.053","","","0.0792","0.1013","","","","","","0.724","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068082","13.9678","0.001","7.482","0.0005","12.1077","0.0008","90","","106.633","0.006","90","","1212.4","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Mg O2 -","- C10 H22 Mg O2 -","- C40 H88 Mg4 O8 -","4","0.5","","Blasberg, Florian; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","An Approach to Pin Down the Solid-State Structure of the “Turbo Grignard”","Organometallics","2012","31","3","1001","","10.1021/om201080t","","","0.71073","MoKα","","0.0423","0.0393","","","0.1115","0.1135","","","","","","1.072","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068083","19.139","0.002","15.126","0.002","16.9129","0.0016","90","","93.438","0.008","90","","4887.4","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H70 Cl4 Li2 Mg2 O6 Si4 -","- C30 H70 Cl4 Li2 Mg2 O6 Si4 -","- C120 H280 Cl16 Li8 Mg8 O24 Si16 -","4","0.5","","Blasberg, Florian; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","An Approach to Pin Down the Solid-State Structure of the “Turbo Grignard”","Organometallics","2012","31","3","1001","","10.1021/om201080t","","","0.71073","MoKα","","0.1009","0.0565","","","0.1199","0.1364","","","","","","0.962","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068084","10.1295","0.0003","16.7531","0.0005","14.8948","0.0004","90","","104.342","0.001","90","","2448.88","0.12","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Ir4 O7 -","- C23 H22 Ir4 O7 -","- C92 H88 Ir16 O28 -","4","1","","Adams, Richard D.; Chen, Mingwei","Synthesis of Higher Nuclearity Iridium Clusters: Reaction of [Ir4(CO)11Ph]−with [Ir(COD)Cl]2","Organometallics","2012","31","1","445","","10.1021/om201084h","","","0.71073","MoKα","","0.0316","0.0261","","","0.0743","0.0784","","","","","","1.001","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068085","13.4948","0.0004","13.5381","0.0004","16.3963","0.0005","90","","103.802","0.001","90","","2909.01","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Ir5 O11 -","- C25 H17 Ir5 O11 -","- C100 H68 Ir20 O44 -","4","1","","Adams, Richard D.; Chen, Mingwei","Synthesis of Higher Nuclearity Iridium Clusters: Reaction of [Ir4(CO)11Ph]−with [Ir(COD)Cl]2","Organometallics","2012","31","1","445","","10.1021/om201084h","","","0.71073","MoKα","","0.0429","0.0359","","","0.0945","0.0991","","","","","","1.058","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068086","15.65","0.0007","12.457","0.0006","18.2221","0.0008","90","","97.822","0.001","90","","3519.4","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 Cl2 Ir5 O9 -","- C32 H31 Cl2 Ir5 O9 -","- C128 H124 Cl8 Ir20 O36 -","4","1","","Adams, Richard D.; Chen, Mingwei","Synthesis of Higher Nuclearity Iridium Clusters: Reaction of [Ir4(CO)11Ph]−with [Ir(COD)Cl]2","Organometallics","2012","31","1","445","","10.1021/om201084h","","","0.71073","MoKα","","0.0442","0.0372","","","0.1027","0.1105","","","","","","1.074","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068087","13.053","0.0005","13.217","0.0005","28.385","0.0011","90","","98.105","0.001","90","","4848.1","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Ir9 O15 -","- C46 H36 Ir9 O15 -","- C184 H144 Ir36 O60 -","4","1","","Adams, Richard D.; Chen, Mingwei","Synthesis of Higher Nuclearity Iridium Clusters: Reaction of [Ir4(CO)11Ph]−with [Ir(COD)Cl]2","Organometallics","2012","31","1","445","","10.1021/om201084h","","","0.71073","MoKα","","0.0951","0.0796","","","0.2519","0.2635","","","","","","1.092","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068088","14.0036","0.0005","12.9445","0.0004","17.9786","0.0006","90","","105.476","0.001","90","","3140.81","0.18","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Ir5 O7 -","- C31 H35 Ir5.104 O7 -","- C124 H140 Ir20.416 O28 -","4","1","","Adams, Richard D.; Chen, Mingwei","Synthesis of Higher Nuclearity Iridium Clusters: Reaction of [Ir4(CO)11Ph]−with [Ir(COD)Cl]2","Organometallics","2012","31","1","445","","10.1021/om201084h","","","0.71073","MoKα","","0.041","0.0369","","","0.1005","0.1047","","","","","","1.078","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068089","9.354","0.005","23.53","0.014","16.46","0.01","90","","91.667","0.002","90","","3621","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 N O2 Ru Si4 -","- C31 H55 N O2 Ru Si4 -","- C124 H220 N4 O8 Ru4 Si16 -","4","1","","Ochiai, Mitsuyoshi; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Neutral Silylene Ruthenium Complex with Heterocumulenes: C═O Hydrosilylation of Isocyanates vs C═S Bond Cleavage of Isothiocyanate","Organometallics","2012","31","2","527","","10.1021/om2010854","","","0.7107","MoKα","","0.113","0.0783","","","0.2191","0.2391","","","","","","1.118","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068090","11.7791","0.0006","12.1471","0.0005","14.9347","0.0009","86.458","0.002","74.9512","0.0017","63.014","0.004","1835.01","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H55 N O Ru S Si4 -","- C31 H55 N O Ru S Si4 -","- C62 H110 N2 O2 Ru2 S2 Si8 -","2","1","","Ochiai, Mitsuyoshi; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Neutral Silylene Ruthenium Complex with Heterocumulenes: C═O Hydrosilylation of Isocyanates vs C═S Bond Cleavage of Isothiocyanate","Organometallics","2012","31","2","527","","10.1021/om2010854","","","0.71069","MoKα","","0.0954","0.0703","","","0.1717","0.1921","","","","","","1.197","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068091","46.4335","0.0019","7.3273","0.0002","23.5143","0.001","90","","110.669","0.003","90","","7485.4","0.5","180","","180","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C324 H468 B12 N24 -","12","3","","Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis","Organometallics","2012","31","2","709","","10.1021/om201087n","","","0.71073","MoKα","","0.0551","0.0464","","","0.106","0.1098","","","","","","1.057","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068092","20.7759","0.0008","7.1727","0.0003","19.0739","0.0006","90","","106.583","0.004","90","","2724.16","0.19","189.9","","189.9","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H39 B N2 -","- C33 H39 B N2 -","- C132 H156 B4 N8 -","4","1","","Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis","Organometallics","2012","31","2","709","","10.1021/om201087n","","","1.5418","CuKα","","0.0681","0.0542","","","0.1336","0.1448","","","","","","1.035","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068093","12.55564","0.00015","14.24537","0.00018","14.6874","0.0002","90","","98.7154","0.0012","90","","2596.65","0.06","180.15","","180.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 B N2 O2 -","- C27 H39 B N2 O2 -","- C108 H156 B4 N8 O8 -","4","2","","Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis","Organometallics","2012","31","2","709","","10.1021/om201087n","","","1.5418","CuKα","","0.0494","0.044","","","0.1214","0.1264","","","","","","1.031","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4068094","7.4531","0.0006","17.8577","0.0005","26.03","0.0015","90","","90","","90","","3464.5","0.4","180.15","","180.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 B N2 O2 -","- C39 H47 B N2 O2 -","- C156 H188 B4 N8 O8 -","4","1","","Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis","Organometallics","2012","31","2","709","","10.1021/om201087n","","","1.5418","CuKα","","0.0446","0.0398","","","0.1129","0.1183","","","","","","0.91","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068095","10.7905","0.0007","14.551","0.0009","15.098","0.0009","90","","94.09","0.001","90","","2364.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 Br2 N Ni O P -","- C20 H34 Br2 N Ni O P -","- C80 H136 Br8 N4 Ni4 O4 P4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts","Organometallics","2012","31","3","1006","","10.1021/om201088y","","","0.71073","MoKα","","0.0476","0.0347","","","0.0901","0.0931","","","","","","0.987","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068096","15.7309","0.0013","11.6766","0.0007","14.6596","0.001","90","","90","","90","","2692.7","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H40 Br2 N Ni O P -","- C23 H40 Br2 N Ni O P -","- C92 H160 Br8 N4 Ni4 O4 P4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts","Organometallics","2012","31","3","1006","","10.1021/om201088y","","","0.71073","MoKα","","0.0692","0.0562","","","0.142","0.1503","","","","","","1.144","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068097","11.2189","0.0009","14.3721","0.0012","15.8988","0.0011","90","","95.171","0.002","90","","2553.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Br2 N Ni O P -","- C22 H38 Br2 N Ni O P -","- C88 H152 Br8 N4 Ni4 O4 P4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts","Organometallics","2012","31","3","1006","","10.1021/om201088y","","","0.71073","MoKα","","0.0755","0.0636","","","0.1607","0.1725","","","","","","1.061","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068098","10.884","0.002","14.625","0.003","17.988","0.004","90","","122.881","0.003","90","","2404.6","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Cl2 N O P Pd -","- C20 H34 Cl2 N O P Pd -","- C80 H136 Cl8 N4 O4 P4 Pd4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts","Organometallics","2012","31","3","1006","","10.1021/om201088y","","","0.71073","MoKα","","0.0266","0.0231","","","0.0615","0.0628","","","","","","1.042","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068099","17.5777","0.0005","10.4053","0.0003","14.3919","0.0004","90","","90","","90","","2632.3","0.13","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H40 Cl2 N O P Pd -","- C23 H40 Cl2 N O P Pd -","- C92 H160 Cl8 N4 O4 P4 Pd4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts","Organometallics","2012","31","3","1006","","10.1021/om201088y","","","0.71073","MoKα","","0.0154","0.0145","","","0.0368","0.0373","","","","","","1.045","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068100","9.8987","0.0014","14.667","0.002","20.625","0.003","69.682","0.004","88.388","0.005","77.26","0.004","2735.1","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H84 Cl4 N2 O3 P2 Pd2 -","- C48 H84 Cl4 N2 O3 P2 Pd2 -","- C96 H168 Cl8 N4 O6 P4 Pd4 -","2","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts","Organometallics","2012","31","3","1006","","10.1021/om201088y","","","0.71073","MoKα","","0.0319","0.0253","","","0.0673","0.0692","","","","","","1.08","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068101","11.7551","0.0013","18.556","0.002","21.673","0.003","90","","90","","90","","4727.5","1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H74 N3 O Si2 Yb -","- C46 H66 N3 O Si2 Yb -","- C184 H264 N12 O4 Si8 Yb4 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.1089","0.0791","","","0.1483","0.1682","","","","","","1.106","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068102","11.7778","0.0008","18.5593","0.0012","21.6903","0.0015","90","","90","","90","","4741.2","0.6","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H74 N3 O Si2 Y -","- C46 H66 N3 O Si2 Y -","- C184 H264 N12 O4 Si8 Y4 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.0936","0.0732","","","0.1603","0.1713","","","","","","1.079","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068103","11.7938","0.0011","18.5139","0.0018","21.713","0.002","90","","90","","90","","4741","0.8","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H74 Gd N3 O Si2 -","- C46 H66 Gd N3 O Si2 -","- C184 H264 Gd4 N12 O4 Si8 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.0869","0.0745","","","0.1229","0.1303","","","","","","1.105","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068104","11.7896","0.0012","18.507","0.002","21.74","0.003","90","","90","","90","","4743.5","1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H74 N3 O Si2 Sm -","- C46 H66 N3 O Si2 Sm -","- C184 H264 N12 O4 Si8 Sm4 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.0542","0.0484","","","0.1076","0.1118","","","","","","1.084","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068105","11.7324","0.0003","11.7814","0.0002","20.5952","0.0006","75.163","0.003","79.407","0.003","68.293","0.003","2544.08","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H81 N4 Nd Si4 -","- C44.5 H77 N4 Nd Si4 -","- C89 H154 N8 Nd2 Si8 -","2","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.0337","0.0303","","","0.0764","0.0793","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068106","17.156","0.005","18.248","0.005","13.096","0.004","90","","104.166","0.004","90","","3975","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Cl N3 Si2 Yb -","- C35 H59 Cl N3 Si2 Yb -","- C140 H236 Cl4 N12 Si8 Yb4 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.1072","0.0767","","","0.0967","0.1046","","","","","","1.164","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068107","12.9937","0.0018","13.2278","0.0019","18.722","0.003","87.865","0.007","84.872","0.006","82.374","0.007","3175.6","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H95 B N3 O2 Si2 Sm -","- C67 H95 B N3 O2 Si2 Sm -","- C134 H190 B2 N6 O4 Si4 Sm2 -","2","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.0593","0.0529","","","0.1092","0.1127","","","","","","1.12","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068108","10.9591","0.0005","15.4387","0.0007","23.2626","0.0011","78.053","0.001","84.774","0.001","69.855","0.001","3614.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.4 H41.8 B Cl0.8 Ir N6 O9.5 -","- C30.4 H41.8 B Cl0.8 Ir N6 O9.5 -","- C121.6 H167.2 B4 Cl3.2 Ir4 N24 O38 -","4","2","","Roa, Arián E.; Salazar, Verónica; López-Serrano, Joaquín; Oñate, Enrique; Paneque, Margarita; Poveda, Manuel L.","Decarbonylation of Aliphatic Aldehydes by a TpMe2Ir(III) Metallacyclopentadiene","Organometallics","2012","31","2","716","","10.1021/om201094q","","","0.71073","MoKα","","0.0405","0.0295","","","0.069","0.0743","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068109","17.128","0.004","12.347","0.002","16.956","0.004","90","","104.979","0.01","90","","3464","1.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dibromo-methylbis(triphenylphosphine oxide-O)antimony(III)","","- C37 H33 Br2 O2 P2 Sb -","- C37 H33 Br2 O2 P2 Sb -","- C148 H132 Br8 O8 P8 Sb4 -","4","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0501","0.04","","","0.0935","0.0988","","","","","","1.051","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068110","20.039","0.003","9.235","0.002","19.831","0.004","90","","117.145","0.01","90","","3265.7","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromo-methylbis(trimethylphosphine oxide-O)antimony(III)","","- C7 H21 Br2 O2 P2 Sb -","- C7 H21 Br2 O2 P2 Sb -","- C56 H168 Br16 O16 P16 Sb8 -","8","2","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0593","0.0492","","","0.1008","0.1041","","","","","","1.198","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068111","17.307","0.003","12.339","0.003","17.099","0.004","90","","104.664","0.015","90","","3532.6","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dichloro-methylbis(triphenylphosphine oxide-O)antimony(III)","","- C37 H30 Cl2 O2 P2 Sb -","- C37 H30 Cl2 O2 P2 Sb -","- C148 H120 Cl8 O8 P8 Sb4 -","4","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0544","0.0415","","","0.1029","0.1106","","","","","","1.027","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4068112","5.4428","0.0005","15.996","0.003","7.7092","0.0015","90","","96.317","0.01","90","","667.11","0.19","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dichloromethyl(1,10-phenanthroline-N,N')antimony(III)","","- C13 H11 Cl2 N2 Sb -","- C13 H11 Cl2 N2 Sb -","- C26 H22 Cl4 N4 Sb2 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0457","0.0446","","","0.1067","0.1072","","","","","","1.21","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068113","7.7806","0.0015","16.546","0.003","5.5726","0.001","90","","98.455","0.01","90","","709.6","0.2","120","2","120","2","","","","","","","","5","C 1 m 1","C -2y","8","","dibromo-methyl(1,10-phenanthroline-N,N')antimony(III)","","- C13 H11 Br2 N2 Sb -","- C13 H11 Br2 N2 Sb -","- C26 H22 Br4 N4 Sb2 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0182","0.018","","","0.0411","0.0414","","","","","","0.916","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068114","5.7015","0.001","16.459","0.003","7.0828","0.001","90","","95.639","0.01","90","","661.44","0.19","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibromo-methyl(2,2'-bipyridyl-N,N')antimony(III)","","- C11 H11 Br2 N2 Sb -","- C11 H11 Br2 N2 Sb -","- C22 H22 Br4 N4 Sb2 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.047","0.0428","","","0.1045","0.1068","","","","","","1.101","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068115","13.023","0.002","7.6958","0.0014","16.455","0.003","90","","93.553","0.007","90","","1646","0.5","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","pentacarbonyl(bromo(dimethyl)stibine)manganese(I) trifluoromethanesulfonate","","- C8 H6 Br F3 Mn O8 S Sb -","- C8 H6 Br F3 Mn O8 S Sb -","- C32 H24 Br4 F12 Mn4 O32 S4 Sb4 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0666","0.0608","","","0.1541","0.1584","","","","","","1.128","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068116","14.4226","0.0005","14.6672","0.001","14.5421","0.001","90","","102.658","0.003","90","","3001.5","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","fac-tricarbonyltris(bromo(dimethyl)stibine)manganese(I) trifluoromethanesulfonate toluene solvate","","- C17 H26 Br3 F3 Mn O6 S Sb3 -","- C17 H26 Br3 F3 Mn O6 S Sb3 -","- C68 H104 Br12 F12 Mn4 O24 S4 Sb12 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0248","0.0225","","","0.0512","0.0525","","","","","","1.073","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068117","16.261","0.005","6.488","0.005","12.287","0.005","90","","107.735","0.005","90","","1234.7","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","pentacarbonyl(bromo(dimethyl)stibine)chromium(0)","","- C7 H6 Br Cr O5 Sb -","- C7 H6 Br Cr O5 Sb -","- C28 H24 Br4 Cr4 O20 Sb4 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0661","0.065","","","0.1804","0.1815","","","","","","1.268","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068118","6.607","0.0005","17.0844","0.0015","24.302","0.002","105.828","0.004","96.329","0.004","97.999","0.005","2581.6","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","pentacarbonyl(bromo(dimethyl)stibine)tungsten","","- C7 H6 Br O5 Sb W -","- C7 H6 Br O5 Sb W -","- C56 H48 Br8 O40 Sb8 W8 -","8","4","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.033","0.0282","","","0.0653","0.0688","","","","","","1.131","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068119","6.5876","0.001","12.473","0.003","31.209","0.006","90","","90","","90","","2564.4","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dibromo(methyl)stibine-pentacarbonyltungsten(0)","","- C6 H3 Br2 O5 Sb W -","- C6 H3 Br2 O5 Sb W -","- C48 H24 Br16 O40 Sb8 W8 -","8","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0358","0.0277","","","0.0562","0.0604","","","","","","1.115","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068120","9.9558","0.0005","16.3802","0.0007","16.7182","0.0008","90","","90","","90","","2726.4","0.2","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 Br N3 Rh -","- C29 H37 Br N3 Rh -","- C116 H148 Br4 N12 Rh4 -","4","1","","Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.","Synthesis and Structure of Silver and Rhodium 1,2,3-Triazol-5-ylidene Mesoionic Carbene Complexes","Organometallics","2012","31","1","456","","10.1021/om201104f","","","0.71073","MoKα","","0.055","0.047","","","0.1269","0.133","","","","","","1.076","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068121","17.7866","0.0009","34.3081","0.0017","13.4527","0.0007","90","","128.05","0.002","90","","6464.5","0.6","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H76 B2 Cl2 F8 N8 Rh2 -","- C57 H76 B2 Cl2 F8 N8 Rh2 -","- C228 H304 B8 Cl8 F32 N32 Rh8 -","4","0.5","","Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.","Synthesis and Structure of Silver and Rhodium 1,2,3-Triazol-5-ylidene Mesoionic Carbene Complexes","Organometallics","2012","31","1","456","","10.1021/om201104f","","","0.71073","MoKα","","0.0524","0.0436","","","0.1189","0.1276","","","","","","1.052","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068122","17.0605","0.0002","23.2997","0.0003","11.8865","0.0003","90","","117.34","0.001","90","","4197.15","0.13","180","2","180","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C74 H94 Ag4 Br4 Cl6 N12 -","- C74 H88 Ag4 Br4 Cl6 N12 -","- C148 H176 Ag8 Br8 Cl12 N24 -","2","0.25","","Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.","Synthesis and Structure of Silver and Rhodium 1,2,3-Triazol-5-ylidene Mesoionic Carbene Complexes","Organometallics","2012","31","1","456","","10.1021/om201104f","","","0.71073","MoKα","","0.0863","0.0752","","","0.2311","0.2446","","","","","","1.108","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068123","14.6121","0.0009","10.5242","0.0006","20.7757","0.0012","90","","100.305","0.005","90","","3143.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 Cl2 N3 Ru -","- C35 H39 Cl2 N3 Ru -","- C140 H156 Cl8 N12 Ru4 -","4","1","","Żukowska, Karolina; Szadkowska, Anna; Pazio, Aleksandra E.; Woźniak, Krzysztof; Grela, Karol","Thermal Switchability of N-Chelating Hoveyda-type Catalyst Containing a Secondary Amine Ligand","Organometallics","2012","31","1","462","","10.1021/om2011062","","","0.71073","MoKα","","0.1211","0.0487","","","0.0744","0.0914","","","","","","0.977","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068124","10.9036","0.0003","14.6554","0.0004","25.5143","0.0006","90","","90","","90","","4077.1","0.18","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H53 Br Cl2 N O P Pd -","- C45 H52.99 Br Cl2.01 N O P Pd -","- C180 H211.96 Br4 Cl8.04 N4 O4 P4 Pd4 -","4","1","","Alsabeh, Pamela G.; McDonald, Robert; Stradiotto, Mark","Stoichiometric Reactivity Relevant to the Mor-DalPhos/Pd-Catalyzed Cross-Coupling of Ammonia and 1-Bromo-2-(phenylethynyl)benzene","Organometallics","2012","31","3","1049","","10.1021/om201122q","","","0.71073","MoKα","","0.0296","0.0282","","","0.0835","0.0849","","","","","","1.076","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068125","10.7231","0.0008","16.1892","0.0012","26.826","0.002","90","","105.509","0.0009","90","","4487.4","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H61 F3 N O5 P Pd S -","- C49 H61 F3 N O5 P Pd S -","- C196 H244 F12 N4 O20 P4 Pd4 S4 -","4","1","","Alsabeh, Pamela G.; McDonald, Robert; Stradiotto, Mark","Stoichiometric Reactivity Relevant to the Mor-DalPhos/Pd-Catalyzed Cross-Coupling of Ammonia and 1-Bromo-2-(phenylethynyl)benzene","Organometallics","2012","31","3","1049","","10.1021/om201122q","","","0.71073","MoKα","","0.0538","0.0481","","","0.1205","0.1239","","","","","","1.145","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068126","12.7728","0.0012","12.8949","0.0012","13.2","0.0012","65.406","0.002","67.296","0.002","82.18","0.002","1822.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Cl2 O3 Si2 -","- C32 H48 Cl2 O3 Si2 -","- C64 H96 Cl4 O6 Si4 -","2","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.1374","0.0615","","","0.1437","0.1743","","","","","","0.932","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068127","16.7203","0.0014","19.0221","0.0016","24.15","0.002","90","","91.686","0.002","90","","7677.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 Cl2 O2 Si2 -","- C36 H54 Cl2 O2 Si2 -","- C288 H432 Cl16 O16 Si16 -","8","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.1058","0.0594","","","0.1336","0.152","","","","","","0.934","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068128","11.8773","0.0007","13.8122","0.0009","37.927","0.002","90","","90","","90","","6222","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H38 Cl2 O2 Si2 -","- C30 H38 Cl2 O2 Si2 -","- C240 H304 Cl16 O16 Si16 -","8","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.0745","0.0452","","","0.0972","0.1059","","","","","","0.903","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068129","11.1662","0.0007","11.3006","0.0007","11.7289","0.0007","90.203","0.001","104.296","0.001","105.396","0.001","1378.92","0.15","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H42 O Si2 Zr -","- C27 H42 O Si2 Zr -","- C54 H84 O2 Si4 Zr2 -","2","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.0355","0.028","","","0.0952","0.1248","","","","","","1.169","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068130","12.6446","0.0009","21.666","0.0015","16.8088","0.0012","90","","102.087","0.001","90","","4502.8","0.6","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Cl2 O2 Si2 Zr -","- C46 H62 Cl2 O2 Si2 Zr -","- C184 H248 Cl8 O8 Si8 Zr4 -","4","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.0428","0.0303","","","0.0739","0.0801","","","","","","1.002","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068131","9.1056","0.0009","14.1077","0.0013","15.0556","0.0014","90","","90","","90","","1934","0.3","132","2","132","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Zr -","- C22 H28 Zr -","- C88 H112 Zr4 -","4","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.0209","0.0195","","","0.0506","0.052","","","","","","1.077","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068132","14.294","0.0008","13.8238","0.0007","35.2329","0.0017","90","","90","","90","","6961.9","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O W -","- C19 H25 N O W -","- C304 H400 N16 O16 W16 -","16","2","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0287","0.0253","","","0.0499","0.0508","","","","","","1.287","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068133","8.4341","0.0009","8.4965","0.0009","14.4435","0.0015","85.138","0.005","88.498","0.005","61.891","0.004","909.55","0.17","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C40 H54 N2 O2 W2 -","2","1","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0397","0.0377","","","0.0872","0.0884","","","","","","1.226","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068134","9.3285","0.0006","15.5488","0.0009","25.2601","0.0016","90","","90","","90","","3663.9","0.4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C160 H216 N8 O8 W8 -","8","1","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0415","0.027","","","0.0589","0.0646","","","","","","1.01","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068135","9.3219","0.0009","22.502","0.003","22.943","0.003","90","","90","","90","","4812.6","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H35 N O W -","- C27.5 H35 N O W -","- C220 H280 N8 O8 W8 -","8","2","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0818","0.0528","","","0.114","0.1309","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068136","15.875","0.0007","10.3935","0.0004","13.9479","0.0006","90","","115.076","0.002","90","","2084.45","0.16","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N O W -","- C23 H33 N O W -","- C92 H132 N4 O4 W4 -","4","1","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0503","0.0326","","","0.0841","0.0889","","","","","","1.026","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068137","11.387","0.004","11.486","0.004","15.199","0.005","97.975","0.005","98.133","0.005","97.338","0.005","1926.7","1.1","103.15","","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H59 I N O3 P Pd -","- C39 H59 I N O3 P Pd -","- C78 H118 I2 N2 O6 P2 Pd2 -","2","1","","Hayashi, Yumi; Wada, Shinji; Yamashita, Makoto; Nozaki, Kyoko","Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)‒OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives","Organometallics","2012","31","3","1073","","10.1021/om201142s","","","0.7107","MoKα","","0.0685","0.0496","","","0.0928","0.1034","","","","","","1.109","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068138","25.024","0.014","15.573","0.006","18.105","0.008","90","","111.238","0.002","90","","6576","5","103.15","","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H114 I2 O2 P4 Pd2 -","- C60 H114 I2 O2 P4 Pd2 -","- C240 H456 I8 O8 P16 Pd8 -","4","0.5","","Hayashi, Yumi; Wada, Shinji; Yamashita, Makoto; Nozaki, Kyoko","Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)‒OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives","Organometallics","2012","31","3","1073","","10.1021/om201142s","","","0.7107","MoKα","","0.0658","0.0359","","","0.076","0.0944","","","","","","1.106","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068139","9.713","0.003","11.476","0.003","16.032","0.005","108.242","0.004","90.661","0.004","92.202","0.004","1695.4","0.9","103.15","","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H52 I N O2 P2 Pd -","- C31 H52 I N O2 P2 Pd -","- C62 H104 I2 N2 O4 P4 Pd2 -","2","1","","Hayashi, Yumi; Wada, Shinji; Yamashita, Makoto; Nozaki, Kyoko","Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)‒OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives","Organometallics","2012","31","3","1073","","10.1021/om201142s","","","0.7107","MoKα","","0.0235","0.0208","","","0.0496","0.0507","","","","","","1.055","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068140","11.693","0.005","15.211","0.007","17.182","0.007","101.897","0.006","96.054","0.006","107.89","0.006","2799","2","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H50 O P2 Pd -","- C26 H50 O P2 Pd -","- C104 H200 O4 P8 Pd4 -","4","2","","Hayashi, Yumi; Wada, Shinji; Yamashita, Makoto; Nozaki, Kyoko","Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)‒OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives","Organometallics","2012","31","3","1073","","10.1021/om201142s","","","0.7107","MoKα","","0.0453","0.0386","","","0.0741","0.0779","","","","","","1.123","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068141","8.958","0.005","10.801","0.006","16.399","0.01","86.83","0.02","84.948","0.02","82.368","0.019","1565","1.6","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H110 O7 P4 Pd2 -","- C58 H110 O7 P4 Pd2 -","- C58 H110 O7 P4 Pd2 -","1","0.5","","Hayashi, Yumi; Wada, Shinji; Yamashita, Makoto; Nozaki, Kyoko","Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)‒OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives","Organometallics","2012","31","3","1073","","10.1021/om201142s","","","0.7107","MoKα","","0.0514","0.0407","","","0.088","0.0943","","","","","","1.087","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068142","11.168","0.003","18.425","0.005","20.282","0.006","90","","93.2049","0.001","90","","4167","2","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H70 O5 P2 Pd -","- C41 H70 O5 P2 Pd -","- C164 H280 O20 P8 Pd4 -","4","1","","Hayashi, Yumi; Wada, Shinji; Yamashita, Makoto; Nozaki, Kyoko","Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)‒OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives","Organometallics","2012","31","3","1073","","10.1021/om201142s","","","0.7107","MoKα","","0.0835","0.0748","","","0.1633","0.1688","","","","","","1.172","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068143","11.1098","0.0006","27.5014","0.0012","13.702","0.0006","90","","90.515","0.005","90","","4186.3","0.3","170","2","170","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Cl2 F12 Fe2 N4 O9 P4 S2 -","- C22 H38 Cl2 F12 Fe2 N4 O9 P4 S2 -","- C88 H152 Cl8 F48 Fe8 N16 O36 P16 S8 -","4","1","","Chouffai, Dounia; Zampella, Giuseppe; Capon, Jean-François; Gioia, Luca De; Goff, Alan Le; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean","Electrochemical and Theoretical Studies of the Impact of the Chelating Ligand on the Reactivity of [Fe2(CO)4(κ2-LL)(μ-pdt)]+Complexes with Different Substrates (LL = IMe-CH2-IMe, dppe; IMe= 1-Methylimidazol-2-ylidene)","Organometallics","2012","31","3","1082","","10.1021/om201143p","","x-ray","0.71073","MoKα","","0.1475","0.0579","","","0.0897","0.1072","","","","","","0.829","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068144","16.5222","0.0002","11.8439","0.0001","19.3552","0.0002","90","","110.547","0.0006","90","","3546.62","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 B2 N P2 Ru -","- C37 H47 B2 N P2 Ru -","- C148 H188 B8 N4 P8 Ru4 -","4","1","","Addy, David A.; Phillips, Nicholas; Pierce, Glesni A.; Vidovic, Dragoslav; Krämer, Tobias; Mallick, Dibyendu; Jemmis, Eluvathingal D.; Reid, Gill; Aldridge, Simon","(Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations by Spontaneous Halide Ejection","Organometallics","2012","31","3","1092","","10.1021/om201144e","","","0.71073","MoKα","","0.0587","0.0445","","0.1294","0.1211","0.1293","","","","","","0.9288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068145","11.0448","0.0002","19.8456","0.0003","18.779","0.0003","90","","90.185","0.0007","90","","4116.16","0.12","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H53.5 B2 F0.5 Fe N O P2 -","- C46 H53.5 B2 F0.5 Fe N O P2 -","- C184 H214 B8 F2 Fe4 N4 O4 P8 -","4","1","","Addy, David A.; Phillips, Nicholas; Pierce, Glesni A.; Vidovic, Dragoslav; Krämer, Tobias; Mallick, Dibyendu; Jemmis, Eluvathingal D.; Reid, Gill; Aldridge, Simon","(Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations by Spontaneous Halide Ejection","Organometallics","2012","31","3","1092","","10.1021/om201144e","","","0.71073","MoKα","","0.0861","0.0468","","0.1213","0.1078","0.1213","","","","","","0.9143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068146","12.6791","0.0001","13.827","0.0002","18.7636","0.0002","100.249","0.0005","101.152","0.0005","95.9108","0.0005","3143.59","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H45.5 B F24.5 Fe O P2 -","- C67 H45.5 B F24.5 Fe O P2 -","- C134 H91 B2 F49 Fe2 O2 P4 -","2","1","","Addy, David A.; Phillips, Nicholas; Pierce, Glesni A.; Vidovic, Dragoslav; Krämer, Tobias; Mallick, Dibyendu; Jemmis, Eluvathingal D.; Reid, Gill; Aldridge, Simon","(Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations by Spontaneous Halide Ejection","Organometallics","2012","31","3","1092","","10.1021/om201144e","","","0.71073","MoKα","","0.083","0.069","","0.1822","0.1715","0.1822","","","","","","0.9246","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068147","12.7513","0.0002","18.2904","0.0003","13.3508","0.0002","90","","97.1003","0.0008","90","","3089.88","0.08","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 B Cl Fe N O3 -","- C15 H15 B Cl Fe N O3 -","- C120 H120 B8 Cl8 Fe8 N8 O24 -","8","2","","Addy, David A.; Phillips, Nicholas; Pierce, Glesni A.; Vidovic, Dragoslav; Krämer, Tobias; Mallick, Dibyendu; Jemmis, Eluvathingal D.; Reid, Gill; Aldridge, Simon","(Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations by Spontaneous Halide Ejection","Organometallics","2012","31","3","1092","","10.1021/om201144e","","","0.71073","MoKα","","0.1011","0.0554","","0.1646","0.1429","0.1646","","","","","","0.9574","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068148","8.0797","0.0004","11.4439","0.0006","12.1157","0.0007","74.117","0.002","83.576","0.003","73.42","0.003","1032","0.1","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Cl2 N6 Ni -","- C44 H50 Cl2 N6 Ni -","- C44 H50 Cl2 N6 Ni -","1","0.5","","Badaj, Anna C.; Lavoie, Gino G.","Synthesis and Structural Characterization of Nickel(II) Complexes with Imino-N-heterocyclic Carbene Heteroditopic Ligands","Organometallics","2012","31","3","1103","","10.1021/om2011485","","","0.71073","MoKα","","0.0465","0.0364","","","0.0859","0.0916","","","","","","1.051","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068149","10.0404","0.0003","12.691","0.0004","18.7561","0.0005","104.899","0.0017","93.652","0.0017","105.809","0.0017","2199.14","0.12","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Cu2 I2 N6 -","- C44 H50 Cu2 I2 N6 -","- C88 H100 Cu4 I4 N12 -","2","1","","Badaj, Anna C.; Lavoie, Gino G.","Synthesis and Structural Characterization of Nickel(II) Complexes with Imino-N-heterocyclic Carbene Heteroditopic Ligands","Organometallics","2012","31","3","1103","","10.1021/om2011485","","","0.71073","MoKα","","0.0589","0.0409","","","0.0963","0.1071","","","","","","1.03","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068150","12.3204","0.0003","20.4621","0.0007","9.8781","0.0002","90","","100.961","0.002","90","","2444.85","0.12","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 Cu2 I2 N6 -","- C50 H62 Cu2 I2 N6 -","- C100 H124 Cu4 I4 N12 -","2","0.5","","Badaj, Anna C.; Lavoie, Gino G.","Synthesis and Structural Characterization of Nickel(II) Complexes with Imino-N-heterocyclic Carbene Heteroditopic Ligands","Organometallics","2012","31","3","1103","","10.1021/om2011485","","","0.71073","MoKα","","0.0555","0.0375","","","0.0896","0.0989","","","","","","1.066","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068151","8.1267","0.0004","11.8871","0.0005","13.7639","0.0006","90","","98.606","0.002","90","","1314.66","0.1","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H25 Br2 N3 Ni -","- C22 H25 Br2 N3 Ni -","- C44 H50 Br4 N6 Ni2 -","2","0.5","","Badaj, Anna C.; Lavoie, Gino G.","Synthesis and Structural Characterization of Nickel(II) Complexes with Imino-N-heterocyclic Carbene Heteroditopic Ligands","Organometallics","2012","31","3","1103","","10.1021/om2011485","","","0.71073","MoKα","","0.1011","0.0653","","","0.1881","0.2063","","","","","","1.117","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068152","8.4551","0.0002","16.1489","0.0005","21.189","0.0006","85.895","0.001","78.833","0.002","76.173","0.002","2755.16","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H64 Br4 Cl2 N6 Ni2 -","- C51 H64 Br4 Cl2 N6 Ni2 -","- C102 H128 Br8 Cl4 N12 Ni4 -","2","1","","Badaj, Anna C.; Lavoie, Gino G.","Synthesis and Structural Characterization of Nickel(II) Complexes with Imino-N-heterocyclic Carbene Heteroditopic Ligands","Organometallics","2012","31","3","1103","","10.1021/om2011485","","","0.71073","MoKα","","0.1038","0.0517","","","0.1141","0.1356","","","","","","1.012","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068153","8.0003","0.0017","11.391","0.002","12.304","0.003","75.148","0.004","84.112","0.004","75.031","0.004","1046.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Br1.92 I0.08 N6 Ni -","- C44 H50 Br1.92 I0.08 N6 Ni -","- C44 H50 Br1.92 I0.08 N6 Ni -","1","0.5","","Badaj, Anna C.; Lavoie, Gino G.","Synthesis and Structural Characterization of Nickel(II) Complexes with Imino-N-heterocyclic Carbene Heteroditopic Ligands","Organometallics","2012","31","3","1103","","10.1021/om2011485","","","0.71073","MoKα","","0.0594","0.044","","","0.0954","0.1005","","","","","","1.162","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068154","24.2056","0.0018","7.9758","0.0004","27.112","0.002","90","","119.486","0.005","90","","4556.3","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cl F18 N10 P3 -","- C32 H46 Cl F18 N10 P3 -","- C128 H184 Cl4 F72 N40 P12 -","4","0.5","","Gierz, Verena; Maichle-Mössmer, Cäcilia; Kunz, Doris","1,10-Phenanthroline Analogue Pyridazine-Based N-Heterocyclic Carbene Ligands","Organometallics","2012","31","2","739","","10.1021/om2011547","","","0.71073","MoKα","","0.0752","0.061","","","0.1464","0.1553","","","","","","1.03","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068155","9.0174","0.0002","10.0868","0.0002","8.9113","0.0002","90","","113.527","0.001","90","","743.16","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl2 N2 -","- C6 H6 Cl2 N2 -","- C24 H24 Cl8 N8 -","4","1","","Gierz, Verena; Maichle-Mössmer, Cäcilia; Kunz, Doris","1,10-Phenanthroline Analogue Pyridazine-Based N-Heterocyclic Carbene Ligands","Organometallics","2012","31","2","739","","10.1021/om2011547","","","0.71073","MoKα","","0.0369","0.0307","","","0.0738","0.0777","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068156","10.5318","0.001","11.2949","0.001","14.6901","0.0013","80.927","0.007","82.4","0.007","78.517","0.007","1681.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Ag2 F12 N8 P2 -","- C28 H36 Ag2 F12 N8 P2 -","- C56 H72 Ag4 F24 N16 P4 -","2","1","","Gierz, Verena; Maichle-Mössmer, Cäcilia; Kunz, Doris","1,10-Phenanthroline Analogue Pyridazine-Based N-Heterocyclic Carbene Ligands","Organometallics","2012","31","2","739","","10.1021/om2011547","","","0.71073","MoKα","","0.0527","0.039","","","0.0841","0.089","","","","","","1.063","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068157","22.1049","0.0011","21.2338","0.0014","10.07","0.002","90","","90","","90","","4726.6","1","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H30 F6 N4 P Rh -","- C22 H30 F6 N4 P Rh -","- C176 H240 F48 N32 P8 Rh8 -","8","1","","Gierz, Verena; Maichle-Mössmer, Cäcilia; Kunz, Doris","1,10-Phenanthroline Analogue Pyridazine-Based N-Heterocyclic Carbene Ligands","Organometallics","2012","31","2","739","","10.1021/om2011547","","","0.71073","MoKα","","0.1071","0.0815","","","0.1391","0.1476","","","","","","1.222","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068158","8.0303","0.0015","11.343","0.002","14.297","0.003","108.073","0.003","98.709","0.003","90.588","0.003","1221.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 Ir N5 -","- C26 H28 Cl2 Ir N5 -","- C52 H56 Cl4 Ir2 N10 -","2","1","","Burley, Glenn A.; Boutadla, Youcef; Davies, David L.; Singh, Kuldip","Triazoles from N-Alkynylheterocycles and Their Coordination to Iridium","Organometallics","2012","31","3","1112","","10.1021/om201157g","","","0.71073","MoKα","","0.0511","0.0413","","","0.0879","0.0907","","","","","","0.986","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4068159","9.9127","0.001","11.7673","0.0012","17.9264","0.0018","85.11","0.001","82.067","0.001","75.66","0.001","2003.7","0.4","100","","100","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C15 H16 O8 P2 W -","- C15 H16 O8 P2 W -","- C60 H64 O32 P8 W4 -","4","2","","Arkhypchuk, Anna I.; Santoni, Marie-Pierre; Ott, Sascha","Revisiting the Phospha-Wittig‒Horner Reaction","Organometallics","2012","31","3","1118","","10.1021/om201158k","","","0.71073","MoKα","","0.0734","0.0473","","","0.1048","0.1141","","","","","","0.967","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068160","10.1221","0.0007","25.2357","0.0016","11.117","0.0008","90","","97.856","0.003","90","","2813.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 B F15 Si2 -","- C26 H25 B F10 Si2 -","- C104 H100 B4 F40 Si8 -","4","1","","Neu, Rebecca C.; Stephan, Douglas W.","Insertion Reactions of Diazomethanes and Electrophilic Boranes","Organometallics","2012","31","1","46","","10.1021/om2011613","","","0.71073","MoKα","","0.0553","0.0393","","","0.1257","0.1393","","","","","","1","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068161","11.0719","0.0006","15.3825","0.0008","27.1192","0.0012","90","","90","","90","","4618.8","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H10 B F15 Si -","- C22 H10 B F15 Si -","- C176 H80 B8 F120 Si8 -","8","1","","Neu, Rebecca C.; Stephan, Douglas W.","Insertion Reactions of Diazomethanes and Electrophilic Boranes","Organometallics","2012","31","1","46","","10.1021/om2011613","","","0.71073","MoKα","","0.0499","0.0364","","","0.0879","0.0947","","","","","","1.017","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068162","9.7676","0.0015","15.44","0.002","19.306","0.003","90","","98.467","0.006","90","","2879.8","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 B F15 Si2 -","- C26 H20 B F15 Si2 -","- C104 H80 B4 F60 Si8 -","4","1","","Neu, Rebecca C.; Stephan, Douglas W.","Insertion Reactions of Diazomethanes and Electrophilic Boranes","Organometallics","2012","31","1","46","","10.1021/om2011613","","","0.71073","MoKα","","0.0808","0.042","","","0.0814","0.0934","","","","","","1.01","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068163","8.2719","0.0003","17.887","0.0007","17.4067","0.0007","90","","92.931","0.002","90","","2572.12","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H15 B Cl F10 N -","- C30 H15 B Cl F10 N -","- C120 H60 B4 Cl4 F40 N4 -","4","1","","Neu, Rebecca C.; Stephan, Douglas W.","Insertion Reactions of Diazomethanes and Electrophilic Boranes","Organometallics","2012","31","1","46","","10.1021/om2011613","","","0.71073","MoKα","","0.0654","0.041","","","0.0982","0.109","","","","","","1.026","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068164","10.7172","0.0006","10.5334","0.0006","11.1932","0.0006","90","","107.629","0.002","90","","1204.24","0.12","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H B F20 -","- C25 H B F20 -","- C50 H2 B2 F40 -","2","1","","Neu, Rebecca C.; Stephan, Douglas W.","Insertion Reactions of Diazomethanes and Electrophilic Boranes","Organometallics","2012","31","1","46","","10.1021/om2011613","","","0.71073","MoKα","","0.0491","0.038","","","0.1133","0.125","","","","","","0.904","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068165","8.904","0.003","15.036","0.005","23.694","0.007","72.537","0.005","82.375","0.005","75.941","0.005","2929.2","1.6","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H52 P2 Pd2 -","- C24 H52 P2 Pd2 -","- C96 H208 P8 Pd8 -","4","2","","Hruszkewycz, Damian P.; Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Schmeier, Timothy J.","Mechanistic Studies of the Insertion of CO2into Palladium(I) Bridging Allyl Dimers","Organometallics","2012","31","1","470","","10.1021/om201163k","","","0.71075","MoKα","","","0.0609","","","","0.0826","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068166","9.6253","0.0012","21.282","0.003","16.505","0.002","90","","102.982","0.003","90","","3294.6","0.7","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 N4 Pd2 -","- C30 H48 N4 Pd2 -","- C120 H192 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Schmeier, Timothy J.","Mechanistic Studies of the Insertion of CO2into Palladium(I) Bridging Allyl Dimers","Organometallics","2012","31","1","470","","10.1021/om201163k","","","0.71075","MoKα","","","0.0551","","","","0.0851","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068167","19.25","0.003","12.261","0.0016","24.132","0.003","90","","108.004","0.009","90","","5416.8","1.3","223","","223","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C60 H82 N4 Ni2 -","- C60 H82 N4 Ni2 -","- C240 H328 N16 Ni8 -","4","0.5","","Hruszkewycz, Damian P.; Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Schmeier, Timothy J.","Mechanistic Studies of the Insertion of CO2into Palladium(I) Bridging Allyl Dimers","Organometallics","2012","31","1","470","","10.1021/om201163k","","","0.71075","MoKα","","","0.0851","","","","0.176","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068168","14.1732","0.0007","18.3186","0.0007","22.7582","0.0016","90","","106.101","0.008","90","","5677","0.6","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H82 N4 O2 Pd2 -","- C61 H82 N4 O2 Pd2 -","- C244 H328 N16 O8 Pd8 -","4","1","","Hruszkewycz, Damian P.; Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Schmeier, Timothy J.","Mechanistic Studies of the Insertion of CO2into Palladium(I) Bridging Allyl Dimers","Organometallics","2012","31","1","470","","10.1021/om201163k","","","1.54187","CuKα","","","0.0514","","","","0.1327","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068169","14.211","0.0005","18.5314","0.0006","22.6888","0.0016","90","","105.576","0.007","90","","5755.7","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H86 N4 O2 Pd2 -","- C61 H86 N4 O2 Pd2 -","- C244 H344 N16 O8 Pd8 -","4","1","","Hruszkewycz, Damian P.; Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Schmeier, Timothy J.","Mechanistic Studies of the Insertion of CO2into Palladium(I) Bridging Allyl Dimers","Organometallics","2012","31","1","470","","10.1021/om201163k","","","1.54187","CuKα","","","0.0657","","","","0.1849","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068170","20.4847","0.0012","12.2424","0.0007","24.6093","0.0014","90","","112.664","0.0014","90","","5695","0.6","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H77 Cl N4 Pd2 -","- C57 H72 Cl N4 Pd2 -","- C228 H288 Cl4 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Schmeier, Timothy J.","Mechanistic Studies of the Insertion of CO2into Palladium(I) Bridging Allyl Dimers","Organometallics","2012","31","1","470","","10.1021/om201163k","","","0.71075","MoKα","","","0.0584","","","","0.1153","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068171","12.375","0.004","22.094","0.006","13.627","0.004","90","","97.067","0.008","90","","3697.5","1.9","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H63 Cl2 N3 Pd -","- C37 H63 Cl2 N3 Pd -","- C148 H252 Cl8 N12 Pd4 -","4","2","","Spallek, Markus J.; Riedel, Dominic; Rominger, Frank; Hashmi, A. Stephen K.; Trapp, Oliver","Six-Membered, Chiral NHCs Derived from Camphor: Structure‒Reactivity Relationship in Asymmetric Oxindole Synthesis","Organometallics","2012","31","3","1127","","10.1021/om201166b","","","0.71073","MoKα","","0.1094","0.0707","","","0.1337","0.1493","","","","","","2.02","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068172","7.5914","0.0001","24.8688","0.0005","11.7953","0.0002","90","","105.369","0.001","90","","2147.19","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H63 Cl4 N3 Pd -","- C42 H63 Cl4 N3 Pd -","- C84 H126 Cl8 N6 Pd2 -","2","1","","Spallek, Markus J.; Riedel, Dominic; Rominger, Frank; Hashmi, A. Stephen K.; Trapp, Oliver","Six-Membered, Chiral NHCs Derived from Camphor: Structure‒Reactivity Relationship in Asymmetric Oxindole Synthesis","Organometallics","2012","31","3","1127","","10.1021/om201166b","","","0.71073","MoKα","","0.0392","0.0332","","","0.088","0.1008","","","","","","1.142","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068173","10.8158","0.0007","17.263","0.0011","22.0491","0.0014","90","","90","","90","","4116.9","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H61 Cl6 N3 Pd -","- C37 H61 Cl6 N3 Pd -","- C148 H244 Cl24 N12 Pd4 -","4","1","","Spallek, Markus J.; Riedel, Dominic; Rominger, Frank; Hashmi, A. Stephen K.; Trapp, Oliver","Six-Membered, Chiral NHCs Derived from Camphor: Structure‒Reactivity Relationship in Asymmetric Oxindole Synthesis","Organometallics","2012","31","3","1127","","10.1021/om201166b","","","0.71073","MoKα","","0.0733","0.0525","","","0.1308","0.15","","","","","","1.071","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068174","9.599","0.004","19.149","0.009","26.346","0.01","90","","90","","90","","4843","4","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C42 H54 F6 N6 Ni O6 P4 S2 -","- C42 H54 F6 N6 Ni O6 P4 S2 -","- C168 H216 F24 N24 Ni4 O24 P16 S8 -","4","0.5","","Doud, Michael D.; Grice, Kyle A.; Lilio, Alyssia M.; Seu, Candace S.; Kubiak, Clifford P.","Versatile Synthesis of PR2NR′2Ligands for Molecular Electrocatalysts with Pendant Bases in the Second Coordination Sphere","Organometallics","2012","31","3","779","","10.1021/om201168h","","","0.71073","MoKα","","0.0427","0.0316","","","0.0725","0.1","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068175","12.3519","0.0006","11.7474","0.0006","16.7887","0.0009","90","","99.84","0.003","90","","2400.2","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 F2 I N P Pd -","- C24 H29 F2 I N P Pd -","- C96 H116 F8 I4 N4 P4 Pd4 -","4","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Palladium-Assisted Room-Temperature Nucleophilic Substitution of an Unactivated Aryl Fluoride","Organometallics","2012","31","4","1275","","10.1021/om201175d","","","0.71073","MoKα","","0.1213","0.0613","","","0.1111","0.1324","","","","","","1.011","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068176","16.7924","0.0005","8.6165","0.0002","32.3673","0.001","90","","90","","90","","4683.3","0.2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H31 F N O P Pd -","- C25 H31 F N O P Pd -","- C200 H248 F8 N8 O8 P8 Pd8 -","8","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Palladium-Assisted Room-Temperature Nucleophilic Substitution of an Unactivated Aryl Fluoride","Organometallics","2012","31","4","1275","","10.1021/om201175d","","","0.71073","MoKα","","0.1172","0.0713","","","0.1067","0.1221","","","","","","1.054","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068177","11.422","0.0002","20.0331","0.0005","22.3063","0.0005","90","","90","","90","","5104.08","0.19","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H32 B F5 N O P Pd -","- C25 H32 B F5 N O P Pd -","- C200 H256 B8 F40 N8 O8 P8 Pd8 -","8","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Palladium-Assisted Room-Temperature Nucleophilic Substitution of an Unactivated Aryl Fluoride","Organometallics","2012","31","4","1275","","10.1021/om201175d","","","0.71073","MoKα","","0.0837","0.0641","","","0.1034","0.1102","","","","","","1.114","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068178","9.0868","0.0004","22.4891","0.001","11.4638","0.0005","90","","93.017","0.001","90","","2339.43","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 Ge Mo O2 Si3 -","- C17 H32 Ge Mo O2 Si3 -","- C68 H128 Ge4 Mo4 O8 Si12 -","4","1","","Filippou, Alexander C.; Stumpf, Kai W.; Chernov, Oleg; Schnakenburg, Gregor","Metal Activation of a Germylenoid, a New Approach to Metal‒Germanium Triple Bonds: Synthesis and Reactions of the Germylidyne Complexes [Cp(CO)2M≡Ge‒C(SiMe3)3] (M = Mo, W)","Organometallics","2012","31","2","748","","10.1021/om201176n","","","0.71073","MoKα","","0.0154","0.0147","","","0.0384","0.0387","","","","","","1.053","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068179","9.0559","0.0003","22.417","0.0009","11.5366","0.0003","90","","92.938","0.002","90","","2338.92","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 Ge O2 Si3 W -","- C17 H32 Ge O2 Si3 W -","- C68 H128 Ge4 O8 Si12 W4 -","4","1","","Filippou, Alexander C.; Stumpf, Kai W.; Chernov, Oleg; Schnakenburg, Gregor","Metal Activation of a Germylenoid, a New Approach to Metal‒Germanium Triple Bonds: Synthesis and Reactions of the Germylidyne Complexes [Cp(CO)2M≡Ge‒C(SiMe3)3] (M = Mo, W)","Organometallics","2012","31","2","748","","10.1021/om201176n","","","0.71073","MoKα","","0.0485","0.0335","","","0.0736","0.0776","","","","","","0.939","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068180","9.4339","0.0003","20.2764","0.0011","15.1795","0.0006","90","","90.68","0.003","90","","2903.4","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Ge Mo N2 O2 Si3 -","- C24 H44 Ge Mo N2 O2 Si3 -","- C96 H176 Ge4 Mo4 N8 O8 Si12 -","4","1","","Filippou, Alexander C.; Stumpf, Kai W.; Chernov, Oleg; Schnakenburg, Gregor","Metal Activation of a Germylenoid, a New Approach to Metal‒Germanium Triple Bonds: Synthesis and Reactions of the Germylidyne Complexes [Cp(CO)2M≡Ge‒C(SiMe3)3] (M = Mo, W)","Organometallics","2012","31","2","748","","10.1021/om201176n","","","0.71073","MoKα","","0.0713","0.0442","","","0.0735","0.0791","","","","","","0.964","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068181","9.4099","0.0002","20.2971","0.0006","15.1689","0.0004","90","","90.5347","0.0016","90","","2897.04","0.13","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Ge N2 O2 Si3 W -","- C24 H44 Ge N2 O2 Si3 W -","- C96 H176 Ge4 N8 O8 Si12 W4 -","4","1","","Filippou, Alexander C.; Stumpf, Kai W.; Chernov, Oleg; Schnakenburg, Gregor","Metal Activation of a Germylenoid, a New Approach to Metal‒Germanium Triple Bonds: Synthesis and Reactions of the Germylidyne Complexes [Cp(CO)2M≡Ge‒C(SiMe3)3] (M = Mo, W)","Organometallics","2012","31","2","748","","10.1021/om201176n","","","0.71073","MoKα","","0.0442","0.0293","","","0.0555","0.0588","","","","","","0.95","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068182","21.7483","0.0006","21.7483","0.0006","21.7483","0.0006","90","","90","","90","","10286.7","0.5","200","2","200","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C51 H66 Cr2 N3 P4 -","- C51 H66 Cr2 N3 P4 -","- C408 H528 Cr16 N24 P32 -","8","0.333333","","Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Murugesu, Muralee; Budzelaar, Peter","Isolation and Characterization of a Class II Mixed-Valence Chromium(I)/(II) Self-Activating Ethylene Trimerization Catalyst","Organometallics","2012","31","1","486","","10.1021/om201181n","","","0.71073","MoKα","","0.069","0.0426","","","0.1121","0.1408","","","","","","1.035","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068183","11.052","0.003","12.721","0.003","19.714","0.005","90","","91.96","0.003","90","","2770","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[PhB(3-C2F5Pz)3]CuC2H4","","","- C23 H15 B Cu F15 N6 -","- C23 H15 B Cu F15 N6 -","- C92 H60 B4 Cu4 F60 N24 -","4","1","","Dias, H. V. Rasika; Wu, Jiang","Structurally Similar, Thermally Stable Copper(I), Silver(I), and Gold(I) Ethylene Complexes Supported by a Fluorinated Scorpionate","Organometallics","2012","31","4","1511","","10.1021/om201185v","","","0.71073","MoKα","","0.0611","0.0507","","","0.1338","0.1403","","","","","","1.077","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068184","11.2741","0.0007","12.8593","0.0008","19.3139","0.0011","90","","90.28","0.001","90","","2800","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[PhB(3-C2F5Pz)3]AgC2H4","","","- C23 H15 Ag B F15 N6 -","- C23 H15 Ag B F15 N6 -","- C92 H60 Ag4 B4 F60 N24 -","4","1","","Dias, H. V. Rasika; Wu, Jiang","Structurally Similar, Thermally Stable Copper(I), Silver(I), and Gold(I) Ethylene Complexes Supported by a Fluorinated Scorpionate","Organometallics","2012","31","4","1511","","10.1021/om201185v","","","0.71073","MoKα","","0.0391","0.0368","","","0.0957","0.0985","","","","","","1.05","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068185","13.254","0.001","14.1925","0.0011","14.9711","0.0012","90","","90","","90","","2816.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[PhB(3-C2F5Pz)3]AuC2H4","","","- C23 H15 Au B F15 N6 -","- C23 H15 Au B F15 N6 -","- C92 H60 Au4 B4 F60 N24 -","4","1","","Dias, H. V. Rasika; Wu, Jiang","Structurally Similar, Thermally Stable Copper(I), Silver(I), and Gold(I) Ethylene Complexes Supported by a Fluorinated Scorpionate","Organometallics","2012","31","4","1511","","10.1021/om201185v","","","0.71073","MoKα","","0.0479","0.0381","","","0.0863","0.0911","","","","","","1.069","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068186","10.8217","0.0001","13.8134","0.0001","13.9423","0.0001","90","","100.13","","90","","2051.67","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(CF3-PCP)Ir(?-4-C5H8)","","","- C17 H15 F12 Ir P2 -","- C17 H15 F12 Ir P2 -","- C68 H60 F48 Ir4 P8 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Investigation of IridiumCF3PCP Pincer Catalytic Dehydrogenation and Decarbonylation Chemistry","Organometallics","2012","31","4","1439","","10.1021/om2011886","","","0.71073","MoKα","","0.0273","0.0199","","","0.0414","0.0434","","","","","","1.01","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068187","11.0551","0.0001","16.0954","0.0002","16.1451","0.0002","90","","107.002","0.001","90","","2747.24","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(CF3-PCP)Ir(MeP(C2F5)2)CO","","","- C18 H10 F22 Ir O P3 -","- C18 H10 F22 Ir O P3 -","- C72 H40 F88 Ir4 O4 P12 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Investigation of IridiumCF3PCP Pincer Catalytic Dehydrogenation and Decarbonylation Chemistry","Organometallics","2012","31","4","1439","","10.1021/om2011886","","","0.71073","MoKα","","0.0334","0.0204","","","0.0427","0.0476","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4068188","14.86","0.0004","21.4031","0.0006","27.0002","0.0008","98.488","0.002","99.207","0.002","104.333","0.002","8054","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(CF3-PCP)Ir(CO)]2(u-dfepe)","","","- C36 H18 F44 Ir2 O2 P6 -","- C36 H18 F44 Ir2 O2 P6 -","- C216 H108 F264 Ir12 O12 P36 -","6","3","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Investigation of IridiumCF3PCP Pincer Catalytic Dehydrogenation and Decarbonylation Chemistry","Organometallics","2012","31","4","1439","","10.1021/om2011886","","","0.71073","MoKα","","0.0637","0.0371","","","0.0702","0.0802","","","","","","1.037","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068189","9.8316","0.0001","12.0044","0.0001","16.82","0.0002","71.454","0.001","85.192","0.001","69.039","0.001","1756.49","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 F24 Ir2 P4 -","- C24 H20 F24 Ir2 P4 -","- C48 H40 F48 Ir4 P8 -","2","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Investigation of IridiumCF3PCP Pincer Catalytic Dehydrogenation and Decarbonylation Chemistry","Organometallics","2012","31","4","1439","","10.1021/om2011886","","","0.71073","MoKα","","0.0402","0.0264","","","0.0494","0.0531","","","","","","1.008","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068190","20.746","0.002","7.3201","0.0005","15.5711","0.0017","90","","107.125","0.008","90","","2259.8","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 F8 N2 Se -","- C10 F8 N2 Se -","- C80 F64 N16 Se8 -","8","2","","Aboulkacem, Said; Naumann, Dieter; Tyrra, Wieland; Pantenburg, Ingo","4-Tetrafluoropyridyl Silver(I), AgC5F4N, in Redox Transmetalations with Selenium and Tellurium(23)","Organometallics","2012","31","4","1559","","10.1021/om201195j","","","0.71073","MoKα","","0.0489","0.034","","","0.0813","0.0863","","","","","","1.003","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068191","9.6911","0.0008","17.783","0.002","9.2819","0.0007","90","","98.52","0.006","90","","1582","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F8 N2 O S Te -","- C12 H6 F8 N2 O S Te -","- C48 H24 F32 N8 O4 S4 Te4 -","4","1","","Aboulkacem, Said; Naumann, Dieter; Tyrra, Wieland; Pantenburg, Ingo","4-Tetrafluoropyridyl Silver(I), AgC5F4N, in Redox Transmetalations with Selenium and Tellurium(23)","Organometallics","2012","31","4","1559","","10.1021/om201195j","","","0.71073","MoKα","","0.0571","0.0419","","","0.1069","0.1124","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068192","10.3275","0.0011","20.7002","0.0015","9.4642","0.001","90","","90.861","0.008","90","","2023","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F10 N2 S Te -","- C17 H12 F10 N2 S Te -","- C68 H48 F40 N8 S4 Te4 -","4","1","","Aboulkacem, Said; Naumann, Dieter; Tyrra, Wieland; Pantenburg, Ingo","4-Tetrafluoropyridyl Silver(I), AgC5F4N, in Redox Transmetalations with Selenium and Tellurium(23)","Organometallics","2012","31","4","1559","","10.1021/om201195j","","","0.71073","MoKα","","0.039","0.0273","","","0.0656","0.0716","","","","","","1.051","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068193","10.6254","0.0005","20.319","0.0013","9.0145","0.0004","90","","90.586","0.004","90","","1946.11","0.18","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F8 N4 S Te -","- C15 H12 F8 N4 S Te -","- C60 H48 F32 N16 S4 Te4 -","4","1","","Aboulkacem, Said; Naumann, Dieter; Tyrra, Wieland; Pantenburg, Ingo","4-Tetrafluoropyridyl Silver(I), AgC5F4N, in Redox Transmetalations with Selenium and Tellurium(23)","Organometallics","2012","31","4","1559","","10.1021/om201195j","","","0.71073","MoKα","","0.0211","0.0195","","","0.0485","0.0495","","","","","","1.066","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068195","25.487","0.003","5.9088","0.0004","16.024","0.002","90","","104.562","0.01","90","","2335.7","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 F8 N2 Te -","- C10 F8 N2 Te -","- C80 F64 N16 Te8 -","8","2","","Aboulkacem, Said; Naumann, Dieter; Tyrra, Wieland; Pantenburg, Ingo","4-Tetrafluoropyridyl Silver(I), AgC5F4N, in Redox Transmetalations with Selenium and Tellurium(23)","Organometallics","2012","31","4","1559","","10.1021/om201195j","","","0.71073","MoKα","","0.0565","0.0361","","","0.0854","0.0968","","","","","","1.041","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068196","9.5859","0.0013","17.9451","0.0017","8.9832","0.0012","90","","96.345","0.011","90","","1535.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F8 N2 O S Se -","- C12 H6 F8 N2 O S Se -","- C48 H24 F32 N8 O4 S4 Se4 -","4","1","","Aboulkacem, Said; Naumann, Dieter; Tyrra, Wieland; Pantenburg, Ingo","4-Tetrafluoropyridyl Silver(I), AgC5F4N, in Redox Transmetalations with Selenium and Tellurium(23)","Organometallics","2012","31","4","1559","","10.1021/om201195j","","","0.71073","MoKα","","0.0472","0.0376","","","0.0897","0.0942","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068197","12.5007","0.0016","14.6611","0.0018","18.491","0.002","76.3985","0.0015","84.0521","0.0016","86.3437","0.0016","3273.4","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H59 B F24 Ir2 O3 P4 -","- C55 H59 B F24 Ir2 O3 P4 -","- C110 H118 B2 F48 Ir4 O6 P8 -","2","1","","Slaney, Michael E.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Tandem C‒F and C‒H Bond Activation in Fluoroolefins Promoted by a Bis(diethylphosphino)methane-Bridged Diiridium Complex: Role of Water in the Activation Processes","Organometallics","2012","31","4","1384","","10.1021/om2011968","","","0.71073","MoKα","","0.0266","0.0229","","","0.056","0.0578","","","","","","1.023","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068198","12.6522","0.0006","14.9899","0.0007","17.6977","0.0008","97.0697","0.0006","97.5218","0.0006","92.0058","0.0006","3297.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H57 B F26 Ir2 O3 P4 -","- C55 H57 B F26 Ir2 O3 P4 -","- C110 H114 B2 F52 Ir4 O6 P8 -","2","1","","Slaney, Michael E.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Tandem C‒F and C‒H Bond Activation in Fluoroolefins Promoted by a Bis(diethylphosphino)methane-Bridged Diiridium Complex: Role of Water in the Activation Processes","Organometallics","2012","31","4","1384","","10.1021/om2011968","","","0.71073","MoKα","","0.084","0.0645","","","0.1394","0.1504","","","","","","1.071","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068199","23.3142","0.0004","10.5973","0.0002","33.2471","0.0005","90","","104.011","0.001","90","","7969.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H124 N4 O4 Sc2 -","- C82 H124 N4 O4 Sc2 -","- C328 H496 N16 O16 Sc8 -","4","0.5","","LeBlanc, Francis A.; Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood","Reactivity of Scandium β-Diketiminate Alkyl Complexes with Carbon Dioxide","Organometallics","2012","31","3","810","","10.1021/om2012002","","","1.54178","CuKα","","0.0403","0.0377","","","0.1069","0.1149","","","","","","1.077","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068200","12.8196","0.0004","14.8302","0.0007","16.7243","0.0007","70.686","0.002","80.058","0.002","70.062","0.002","2814.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H83 N2 O6 Sc Si2 -","- C46 H75 N2 O6 Sc Si2 -","- C92 H150 N4 O12 Sc2 Si4 -","2","1","","LeBlanc, Francis A.; Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood","Reactivity of Scandium β-Diketiminate Alkyl Complexes with Carbon Dioxide","Organometallics","2012","31","3","810","","10.1021/om2012002","","","0.71073","MoKα","","0.1171","0.0769","","","0.1801","0.202","","","","","","1.073","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068201","8.8444","0.0006","21.2018","0.0014","17.7823","0.0012","90","","101.268","0.002","90","","3270.2","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 B F4 O2 P2 Rh S2 -","- C25 H46 B F4 O2 P2 Rh S2 -","- C100 H184 B4 F16 O8 P8 Rh4 S8 -","4","1","","Montag, Michael; Efremenko, Irena; Diskin-Posner, Yael; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","Exclusive C‒C Oxidative Addition in a Rhodium Thiophosphoryl Pincer Complex and Computational Evidence for an η3-C‒C‒H Agostic Intermediate","Organometallics","2012","31","1","505","","10.1021/om201205y","","","0.71073","MoKα","","0.0563","0.0389","","","0.0892","0.0972","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068202","15.329","0.003","17.834","0.004","19.773","0.004","90","","90","","90","","5405.5","1.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl2 F6 N3 Ni -","- C23 H17 Cl2 F6 N3 Ni -","- C184 H136 Cl16 F48 N24 Ni8 -","8","1","","Antonov, Artem A.; Semikolenova, Nina V.; Zakharov, Vladimir A.; Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Vinyl Polymerization of Norbornene on Nickel Complexes with Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups","Organometallics","2012","31","3","1143","","10.1021/om201213v","","","0.71073","MoKα","","0.1011","0.0838","","","0.2099","0.2249","","","","","","1.168","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068203","18.74","0.004","10.387","0.002","26.3","0.005","90","","90","","90","","5119.4","1.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","aqua{dichloro[2,6-bis{1-[(2,6-dichlorophenyl)-imino]ethyl}pyridine]}nickel(II) hydrate ?","","- C21 H19 Cl6 N3 Ni O2 -","- C21 H19 Cl6 N3 Ni O2 -","- C168 H152 Cl48 N24 Ni8 O16 -","8","2","","Antonov, Artem A.; Semikolenova, Nina V.; Zakharov, Vladimir A.; Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Vinyl Polymerization of Norbornene on Nickel Complexes with Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups","Organometallics","2012","31","3","1143","","10.1021/om201213v","","","0.71073","MoKα","","0.0691","0.0641","","","0.1414","0.1461","","","","","","1.081","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068204","8.328","0.0017","24.098","0.005","15.765","0.003","90","","103.39","0.03","90","","3077.8","1.1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl2 F8 N3 Ni O3 -","- C23 H21 Cl2 F8 N3 Ni O3 -","- C92 H84 Cl8 F32 N12 Ni4 O12 -","4","1","","Antonov, Artem A.; Semikolenova, Nina V.; Zakharov, Vladimir A.; Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Vinyl Polymerization of Norbornene on Nickel Complexes with Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups","Organometallics","2012","31","3","1143","","10.1021/om201213v","","","0.71073","MoKα","","0.1029","0.0762","","","0.1765","0.1942","","","","","","1.049","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068205","11.008","0.002","15.888","0.003","15.922","0.004","90","","99.287","0.003","90","","2748.2","1","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Ir2 N O2 P S -","- C24 H42 Ir2 N O2 P S -","- C96 H168 Ir8 N4 O8 P4 S4 -","4","1","","Kimura, Takashi; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Trapping of a Doubly Unsaturated Dinuclear Iridium(II) Sulfonylimido Complex with Phosphine and Lewis Acidic Group 11 and 12 Metals","Organometallics","2012","31","3","1204","","10.1021/om201218j","","","0.7107","MoKα","","","0.0253","","","","0.0696","","","","","","1","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068206","14.259","0.005","11.096","0.004","17.234","0.006","90","","93.46","0.006","90","","2721.8","1.7","193","","193","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Cl2 Ir2 N O2 S Zn -","- C21 H33 Cl2 Ir2 N O2 S Zn -","- C84 H132 Cl8 Ir8 N4 O8 S4 Zn4 -","4","1","","Kimura, Takashi; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Trapping of a Doubly Unsaturated Dinuclear Iridium(II) Sulfonylimido Complex with Phosphine and Lewis Acidic Group 11 and 12 Metals","Organometallics","2012","31","3","1204","","10.1021/om201218j","","","0.7107","MoKα","","","0.0454","","","","0.0894","","","","","","1.003","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068207","14.616","0.002","10.8891","0.0008","19.568","0.003","90","","107.876","0.005","90","","2964","0.7","193","","193","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 Ag4 Cl8 Ir4 N2 O4 S2 -","- C44 H70 Ag4 Cl8 Ir4 N2 O4 S2 -","- C88 H140 Ag8 Cl16 Ir8 N4 O8 S4 -","2","0.5","","Kimura, Takashi; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Trapping of a Doubly Unsaturated Dinuclear Iridium(II) Sulfonylimido Complex with Phosphine and Lewis Acidic Group 11 and 12 Metals","Organometallics","2012","31","3","1204","","10.1021/om201218j","","","0.7107","MoKα","","","0.0273","","","","0.0677","","","","","","1.089","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068208","50.829","0.008","50.829","0.008","11.144","0.002","90","","90","","120","","24934","7","113","2","113","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H70 Ca N4 O Si2 -","- C48 H70 Ca N4 O Si2 -","- C864 H1260 Ca18 N72 O18 Si36 -","18","1","","Hu, Hongfan; Cui, Chunming","Synthesis of Calcium and Ytterbium Complexes Supported by a Tridentate Imino-Amidinate Ligand and Their Application in the Intermolecular Hydrophosphination of Alkenes and Alkynes","Organometallics","2012","31","3","1208","","10.1021/om201223j","","","0.71073","MoKα","","0.1316","0.105","","","0.2527","0.2716","","","","","","1.147","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068209","54.906","0.0005","54.906","","14.2772","0.0002","90","","90","","120","","37274.6","0.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H133 Br P2 Pt Si8 -","- C66 H133 Br P2 Pt Si8 -","- C1188 H2394 Br18 P36 Pt18 Si144 -","18","1","","Agou, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of an Arylbromosilylene‒Platinum Complex by Using a 1,2-Dibromodisilene As a Silylene Source","Organometallics","2012","31","3","1150","","10.1021/om201227p","","","0.71075","MoKα","","0.0569","0.0428","","","0.1216","0.134","","","","","","1.074","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068210","9.719","0.005","13.992","0.005","27.007","0.005","101.256","0.005","90.339","0.005","101.124","0.005","3531","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H82 Cl2 N4 O P4 Rh2 -","- C58 H82 Cl2 N4 O P4 Rh2 -","- C116 H164 Cl4 N8 O2 P8 Rh4 -","2","1","","Shaw, Bryan K.; Patrick, Brian O.; Fryzuk, Michael D.","Thermal Rearrangement via P‒C Bond Cleavage of a Tridentate Diphosphine‒N-Heterocyclic Carbene Ligand System Coordinated to Rhodium","Organometallics","2012","31","3","783","","10.1021/om201233e","","","0.71069","MoKα","","0.0702","0.0565","","","0.2088","0.2238","","","","","","1.09","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068211","15.0053","0.0007","8.3101","0.0004","20.9494","0.0009","90","","93.044","0.002","90","","2608.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 N2 P2 Rh -","- C27 H41 N2 P2 Rh -","- C108 H164 N8 P8 Rh4 -","4","1","","Shaw, Bryan K.; Patrick, Brian O.; Fryzuk, Michael D.","Thermal Rearrangement via P‒C Bond Cleavage of a Tridentate Diphosphine‒N-Heterocyclic Carbene Ligand System Coordinated to Rhodium","Organometallics","2012","31","3","783","","10.1021/om201233e","","","0.71073","MoKα","","0.0442","0.0369","","","0.0884","0.093","","","","","","1.078","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068212","29.629","0.005","8.564","0.005","27.107","0.005","90","0.005","115.799","0.005","90","0.005","6193","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.75 H86 N4 O P4 Rh2 -","- C65.824 H86 N4 O P4 Rh2 -","- C263.296 H344 N16 O4 P16 Rh8 -","4","0.5","","Shaw, Bryan K.; Patrick, Brian O.; Fryzuk, Michael D.","Thermal Rearrangement via P‒C Bond Cleavage of a Tridentate Diphosphine‒N-Heterocyclic Carbene Ligand System Coordinated to Rhodium","Organometallics","2012","31","3","783","","10.1021/om201233e","","","0.71069","MoKα","","0.0822","0.0453","","","0.0954","0.1068","","","","","","1.017","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068213","8.2723","0.0004","8.5713","0.0004","11.9281","0.0006","108.264","0.001","105.717","0.001","98.202","0.001","748.78","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 O16 Ru6 -","- C20 H12 O16 Ru6 -","- C20 H12 O16 Ru6 -","1","0.5","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter","Bonding and Reactivity in the Electronically Unsaturated Hydrogen-Bridged Dimer [Ru3(CO)8(μ3-CMe)(μ-H)2(μ3-H)]2","Organometallics","2012","31","1","50","","10.1021/om2012375","","","0.71073","MoKα","","0.0216","0.0202","","","0.0502","0.0509","","","","","","1.051","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068214","11.079","0.0012","13.5376","0.0015","13.5784","0.0015","66.593","0.002","89.78","0.003","70.765","0.002","1745.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 O7 P2 Ru3 -","- C34 H28 O7 P2 Ru3 -","- C68 H56 O14 P4 Ru6 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter","Bonding and Reactivity in the Electronically Unsaturated Hydrogen-Bridged Dimer [Ru3(CO)8(μ3-CMe)(μ-H)2(μ3-H)]2","Organometallics","2012","31","1","50","","10.1021/om2012375","","","0.71073","MoKα","","0.0991","0.0753","","","0.2061","0.223","","","","","","1.031","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068215","12.1576","0.0005","12.4972","0.0005","24.5708","0.001","90","","102.754","0.001","90","","3641.1","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H29 Cl O7 P2 Ru3 -","- C34.5 H29 Cl O7 P2 Ru3 -","- C138 H116 Cl4 O28 P8 Ru12 -","4","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter","Bonding and Reactivity in the Electronically Unsaturated Hydrogen-Bridged Dimer [Ru3(CO)8(μ3-CMe)(μ-H)2(μ3-H)]2","Organometallics","2012","31","1","50","","10.1021/om2012375","","","0.71073","MoKα","","0.0453","0.0401","","","0.1019","0.1068","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068216","6.4564","0.0002","31.0749","0.0013","17.866","0.0007","90","","99.667","0.002","90","","3533.6","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 Cl2 N4 O6 Re2 -","- C32 H18 Cl2 N4 O6 Re2 -","- C128 H72 Cl8 N16 O24 Re8 -","4","0.5","","Wu, Si-Hai; Abruña, Héctor D.; Zhong, Yu-Wu","Rhenium Complexes of 2,3-Di(2-pyridyl)-5,6-diphenylpyrazine: Synthesis, Characterization, and Reactivity","Organometallics","2012","31","3","1161","","10.1021/om201240c","","","0.71073","MoKα","","0.0438","0.0309","","","0.0682","0.0735","","","","","","0.893","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068217","14.005","0.003","27.949","0.006","15.408","0.003","90","","100.45","0.03","90","","5931","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H39 Cl F12 N10 P2 Ru2 -","- C63 H39 Cl F12 N10 P2 Ru2 -","- C252 H156 Cl4 F48 N40 P8 Ru8 -","4","1","","Wu, Si-Hai; Abruña, Héctor D.; Zhong, Yu-Wu","Rhenium Complexes of 2,3-Di(2-pyridyl)-5,6-diphenylpyrazine: Synthesis, Characterization, and Reactivity","Organometallics","2012","31","3","1161","","10.1021/om201240c","","","0.71073","MoKα","","0.1394","0.1167","","","0.2332","0.2476","","","","","","1.179","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068218","12.12","0.002","21.592","0.002","20.208","0.001","90","","117.44","0.02","90","","4693.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-diisopropyl-phenyl)-[(2-isopropyl-phenyl)-[6-(1H-pyrrol-2-yl)- pyridin-2-yl]-methyl]-amine-bis(tethrahydrofurane)bis(dimethylsilyl) amido-Yttrium(III)","","- C46 H72 N4 O2 Si2 Y -","- C46 H72 N4 O2 Si2 Y -","- C184 H288 N16 O8 Si8 Y4 -","4","1","","Li, Gang; Lamberti, Marina; Mazzeo, Mina; Pappalardo, Daniela; Roviello, Giuseppina; Pellecchia, Claudio","Anilidopyridyl-Pyrrolide and Anilidopyridyl-Indolide Group 3 Metal Complexes: Highly Active Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2012","31","3","1180","","10.1021/om201251g","","","0.71073","MoKα","","0.1327","0.0641","","","0.1253","0.1514","","","","","","1.018","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068219","11.195","0.0015","13.546","0.0013","13.666","0.0009","70.993","0.008","89.474","0.009","84.36","0.009","1949.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2,6-diisopropyl-phenyl)-[(2-isopropyl-phenyl)-[6-(1H-pyrrol-2-yl)- pyridin-2-yl]-methyl]-amine-tethrahydrofurane-bis(dimethylsilyl) amido-Scandium(III)","","- C39 H57 N4 O Sc Si2 -","- C39 H57 N4 O Sc Si2 -","- C78 H114 N8 O2 Sc2 Si4 -","2","1","","Li, Gang; Lamberti, Marina; Mazzeo, Mina; Pappalardo, Daniela; Roviello, Giuseppina; Pellecchia, Claudio","Anilidopyridyl-Pyrrolide and Anilidopyridyl-Indolide Group 3 Metal Complexes: Highly Active Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2012","31","3","1180","","10.1021/om201251g","","","0.71073","MoKα","","0.1203","0.0625","","","0.1419","0.1628","","","","","","1.094","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068220","9.9023","0.0004","11.0556","0.0004","11.6943","0.0004","117.631","0.002","95.729","0.002","101.957","0.002","1080.91","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Ga N3 O -","- C24 H32 Ga N3 O -","- C48 H64 Ga2 N6 O2 -","2","1","","Hild, Frédéric; Dagorne, Samuel","A Discrete N,O,N-Supported Gallium Amido Complex for the Intermolecular Hydroamination of Terminal Alkynes","Organometallics","2012","31","3","1189","","10.1021/om2012584","","","0.71073","MoKα","","0.0456","0.0354","","","0.1","0.1241","","","","","","1.199","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068221","10.7114","0.0005","12.016","0.0005","12.5614","0.0009","113.354","0.001","107.228","0.001","103.315","0.001","1301.48","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cl4 Ga2 N6 O2 -","- C58 H68 Cl4 Ga2 N6 O2 -","- C58 H68 Cl4 Ga2 N6 O2 -","1","0.5","","Hild, Frédéric; Dagorne, Samuel","A Discrete N,O,N-Supported Gallium Amido Complex for the Intermolecular Hydroamination of Terminal Alkynes","Organometallics","2012","31","3","1189","","10.1021/om2012584","","","0.71073","MoKα","","0.0579","0.0449","","","0.1283","0.1357","","","","","","1.069","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068222","11.6738","0.001","12.7915","0.0011","14.4424","0.0012","90.105","0.001","95.338","0.001","95.762","0.001","2136.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H67 B N2 Si -","- C43 H67 B N2 Si -","- C86 H134 B2 N4 Si2 -","2","1","","Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Wei, Pingrong; Smith, Jared C.; Robinson, Gregory H.","From Anionic N-Heterocyclic Dicarbenes to Abnormal Carbene‒Borane Complexes: A Logical Synthetic Route","Organometallics","2012","31","3","791","","10.1021/om201259d","","","0.71073","MoKα","","0.1052","0.0655","","","0.1786","0.2061","","","","","","1.052","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068223","9.6164","0.0004","15.3033","0.0006","22.2044","0.0009","90","","90","","90","","3267.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 B N2 -","- C34 H53 B N2 -","- C136 H212 B4 N8 -","4","1","","Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Wei, Pingrong; Smith, Jared C.; Robinson, Gregory H.","From Anionic N-Heterocyclic Dicarbenes to Abnormal Carbene‒Borane Complexes: A Logical Synthetic Route","Organometallics","2012","31","3","791","","10.1021/om201259d","","","0.71073","MoKα","","0.0598","0.0519","","","0.1466","0.1546","","","","","","1.025","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068224","11.2979","0.0014","15.4458","0.0019","19.384","0.002","79.11","0.002","81.492","0.002","72.09","0.002","3146.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H51 B N2 -","- C33 H51 B N2 -","- C132 H204 B4 N8 -","4","2","","Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Wei, Pingrong; Smith, Jared C.; Robinson, Gregory H.","From Anionic N-Heterocyclic Dicarbenes to Abnormal Carbene‒Borane Complexes: A Logical Synthetic Route","Organometallics","2012","31","3","791","","10.1021/om201259d","","","0.71073","MoKα","","0.1201","0.0548","","","0.1301","0.1592","","","","","","1.004","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068225","10.425","0.003","10.804","0.004","17.325","0.008","97.41","0.006","102.396","0.006","109.684","0.004","1751","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H48 B F3 N2 O3 S -","- C33 H48 B F3 N2 O3 S -","- C66 H96 B2 F6 N4 O6 S2 -","2","1","","Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Wei, Pingrong; Smith, Jared C.; Robinson, Gregory H.","From Anionic N-Heterocyclic Dicarbenes to Abnormal Carbene‒Borane Complexes: A Logical Synthetic Route","Organometallics","2012","31","3","791","","10.1021/om201259d","","","0.71073","MoKα","","0.1095","0.0879","","","0.2146","0.2331","","","","","","1.073","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068226","11.596","0.006","15.429","0.008","19.414","0.01","69.981","0.01","77.435","0.012","86.115","0.012","3185","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H38 B F3 N2 O5 S -","- C28 H38 B F3 N2 O5 S -","- C112 H152 B4 F12 N8 O20 S4 -","4","2","","Solovyev, Andrey; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","Reactions of Boron-Substituted N-Heterocyclic Carbene Boranes with Triflic Acid. Isolation of a New Dihydroxyborenium Cation","Organometallics","2012","31","1","54","","10.1021/om201260b","","","0.71073","MoKα","","0.1262","0.0722","","","0.1713","0.1971","","","","","","0.959","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068227","17.23","0.002","18.2","0.002","9.9966","0.0013","90","","90","","90","","3134.8","0.6","295","2","295","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C28 H37 B Cl F3 N2 O3 S -","- C28 H36 B Cl F3 N2 O3 S -","- C112 H144 B4 Cl4 F12 N8 O12 S4 -","4","0.5","","Solovyev, Andrey; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","Reactions of Boron-Substituted N-Heterocyclic Carbene Boranes with Triflic Acid. Isolation of a New Dihydroxyborenium Cation","Organometallics","2012","31","1","54","","10.1021/om201260b","","","0.71073","MoKα","","0.1219","0.0901","","","0.2474","0.26","","","","","","1.962","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068228","9.639","0.01","10.843","0.012","16.575","0.018","102.184","0.016","101.811","0.017","94.941","0.017","1642","3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H33 I P2 -","- C41 H33 I P2 -","- C82 H66 I2 P4 -","2","1","","Xu, Chen; Wang, Zhi-Qiang; Li, Zhen; Wang, Wei-Zhou; Hao, Xin-Qi; Fu, Wei-Jun; Gong, Jun-Fang; Ji, Bao-Ming; Song, Mao-Ping","1,3-Diphosphorus Ylide Cyclopentadienylium Salts: Synthesis, Structures, and Application in Coupling Reactions","Organometallics","2012","31","3","798","","10.1021/om201267q","","","0.71073","MoKα","","0.1309","0.0568","","","0.1126","0.1501","","","","","","0.955","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068229","20.5207","0.0009","16.2535","0.0008","13.8301","0.0007","90","","101.615","0.001","90","","4518.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Au Cl N2 -","- C11 H12 Au Cl N2 -","- C176 H192 Au16 Cl16 N32 -","16","4","","Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh","Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation","Organometallics","2012","31","3","1195","","10.1021/om201268m","","","0.71073","MoKα","","0.0561","0.0471","","","0.1184","0.1221","","","","","","1.106","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068230","17.9194","0.0013","8.1817","0.0006","7.9629","0.0006","90","","90","","90","","1167.45","0.15","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H12 Au Br N2 -","- C11 H12 Au Br N2 -","- C44 H48 Au4 Br4 N8 -","4","1","","Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh","Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation","Organometallics","2012","31","3","1195","","10.1021/om201268m","","","0.71073","MoKα","","0.0466","0.0411","","","0.0874","0.0901","","","","","","1.105","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068231","13.7916","0.0006","21.0283","0.0009","13.8291","0.0006","90","","97.836","0.001","90","","3973.2","0.3","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C68 H76 Au6 Cl4 I6 N12 -","- C68 H78 Au6 Cl4 I6 N12 -","- C136 H156 Au12 Cl8 I12 N24 -","2","0.5","","Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh","Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation","Organometallics","2012","31","3","1195","","10.1021/om201268m","","","0.71073","MoKα","","0.0513","0.04","","","0.0851","0.0889","","","","","","1.092","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068232","8.76","0.002","9.169","0.002","30.461","0.008","90","","90.124","0.006","90","","2446.6","1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Au2 I2 N4 -","- C22 H24 Au2 I2 N4 -","- C88 H96 Au8 I8 N16 -","4","1","","Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh","Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation","Organometallics","2012","31","3","1195","","10.1021/om201268m","","","0.71073","MoKα","","0.0831","0.0627","","","0.1445","0.1557","","","","","","1.063","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068233","12.501","0.005","11.234","0.005","18.41","0.008","90","","99.032","0.01","90","","2553.4","1.9","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Au B Cl2 F4 N4 -","- C23 H26 Au B Cl2 F4 N4 -","- C92 H104 Au4 B4 Cl8 F16 N16 -","4","1","","Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh","Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation","Organometallics","2012","31","3","1195","","10.1021/om201268m","","","0.71073","MoKα","","0.0643","0.0469","","","0.1083","0.1161","","","","","","1.032","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068234","7.8787","0.0007","10.1937","0.0009","20.2478","0.0016","90","","100.431","0.003","90","","1599.3","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Au I3 N2 -","- C11 H12 Au I3 N2 -","- C44 H48 Au4 I12 N8 -","4","1","","Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh","Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation","Organometallics","2012","31","3","1195","","10.1021/om201268m","","","0.71073","MoKα","","0.07","0.0554","","","0.141","0.1641","","","","","","1.208","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068235","21.386","0.018","12.908","0.011","18.422","0.015","90","","93.237","0.012","90","","5077","7","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 F6 N2 Ni O -","- C24 H32 F6 N2 Ni O -","- C192 H256 F48 N16 Ni8 O8 -","8","1","","Yamaguchi, Yoshitaka; Ichioka, Hiromi; Klein, Axel; Brennessel, William W.; Vicic, David A.","Linear Bis(perfluoroalkyl) Complexes of Nickel Bipyridine","Organometallics","2012","31","4","1477","","10.1021/om2012776","","","0.71075","MoKα","","","0.0832","","","","0.2823","","","","","","1.026","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068236","13.355","0.003","9.754","0.002","17.601","0.004","90","","93.361","0.005","90","","2288.8","0.9","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hawdv07","","","- C22 H24 F10 N2 Ni -","- C22 H24 F10 N2 Ni -","- C88 H96 F40 N8 Ni4 -","4","1","","Yamaguchi, Yoshitaka; Ichioka, Hiromi; Klein, Axel; Brennessel, William W.; Vicic, David A.","Linear Bis(perfluoroalkyl) Complexes of Nickel Bipyridine","Organometallics","2012","31","4","1477","","10.1021/om2012776","","","0.71073","MoKα","","0.113","0.0765","","","0.1766","0.1912","","","","","","1.12","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068237","13.9044","0.0015","27.052","0.003","27.707","0.003","90","","91.436","0.002","90","","10418","2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hawdv04","","","- C43 H54 Cl8 F10 N4 Ni2 -","- C43 H54 Cl8 F10 N4 Ni2 -","- C344 H432 Cl64 F80 N32 Ni16 -","8","2","","Yamaguchi, Yoshitaka; Ichioka, Hiromi; Klein, Axel; Brennessel, William W.; Vicic, David A.","Linear Bis(perfluoroalkyl) Complexes of Nickel Bipyridine","Organometallics","2012","31","4","1477","","10.1021/om2012776","","","0.71073","MoKα","","0.1205","0.0569","","","0.116","0.1401","","","","","","1.022","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068238","22.629","0.002","9.1394","0.0009","19.2198","0.0018","90","","95.458","0.006","90","","3956.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 Cl N2 O2 P2 Ru -","- C45 H47 Cl N2 O2 P2 Ru -","- C180 H188 Cl4 N8 O8 P8 Ru4 -","4","1","","Lund, Clinton L.; Sgro, Michael J.; Cariou, Renan; Stephan, Douglas W.","A Cis-Bis-Mixed-Carbene Ruthenium Hydride Complex: An Olefin-Selective Hydrogenation Catalyst","Organometallics","2012","31","3","802","","10.1021/om300014r","","","0.71073","MoKα","","0.116","0.0582","","","0.1134","0.1353","","","","","","1.02","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068239","13.927","0.002","17.312","0.002","18.966","0.003","90","","107.062","0.006","90","","4371.5","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Cl N4 O2 P Ru -","- C48 H58 Cl N4 O2 P Ru -","- C192 H232 Cl4 N16 O8 P4 Ru4 -","4","1","","Lund, Clinton L.; Sgro, Michael J.; Cariou, Renan; Stephan, Douglas W.","A Cis-Bis-Mixed-Carbene Ruthenium Hydride Complex: An Olefin-Selective Hydrogenation Catalyst","Organometallics","2012","31","3","802","","10.1021/om300014r","","","0.71073","MoKα","","0.0498","0.0317","","","0.0727","0.0805","","","","","","1.035","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068240","10.195","0.006","19.852","0.011","16.596","0.009","90","","103.516","0.011","90","","3266","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H53 Cl2 Ir2 N5 -","- C31.68 H48 N2 Ni -","- C126.72 H192 N8 Ni4 -","4","1","","Wu, Jianguo; Faller, John W.; Hazari, Nilay; Schmeier, Timothy J.","Stoichiometric and Catalytic Reactions of Thermally Stable Nickel(0) NHC Complexes","Organometallics","2012","31","3","806","","10.1021/om300045t","","","0.71075","MoKα","","0.1478","0.0727","","","0.1509","0.1887","","","","","","0.971","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068241","16.71","0.0017","17.2639","0.0014","16.7365","0.0014","90","","90.869","0.006","90","","4827.6","0.7","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N2 Ni -","- C27 H34 N2 Ni -","- C216 H272 N16 Ni8 -","8","2","","Wu, Jianguo; Faller, John W.; Hazari, Nilay; Schmeier, Timothy J.","Stoichiometric and Catalytic Reactions of Thermally Stable Nickel(0) NHC Complexes","Organometallics","2012","31","3","806","","10.1021/om300045t","","","1.54187","CuKα","","","0.0634","","","","0.198","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068242","49.386","0.003","10.1943","0.0007","39.932","0.003","90","","111.978","0.008","90","","18643","2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H46 N2 Ni O -","- C33 H46 N2 Ni O -","- C792 H1104 N48 Ni24 O24 -","24","3","","Wu, Jianguo; Faller, John W.; Hazari, Nilay; Schmeier, Timothy J.","Stoichiometric and Catalytic Reactions of Thermally Stable Nickel(0) NHC Complexes","Organometallics","2012","31","3","806","","10.1021/om300045t","","","1.54187","CuKα","","","0.1151","","","","0.3144","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068243","11.7681","0.0018","12.222","0.0019","12.814","0.002","91.175","0.004","91.489","0.004","93.016","0.004","1839.4","0.5","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H54 N2 Ni O Si2 -","- C35 H54 N2 Ni O Si2 -","- C70 H108 N4 Ni2 O2 Si4 -","2","1","","Wu, Jianguo; Faller, John W.; Hazari, Nilay; Schmeier, Timothy J.","Stoichiometric and Catalytic Reactions of Thermally Stable Nickel(0) NHC Complexes","Organometallics","2012","31","3","806","","10.1021/om300045t","","","0.71075","MoKα","","","0.0494","","","","0.1031","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076307","10.7646","0.0004","32.2519","0.0008","13.6095","0.0005","90","","104.14","0.003","90","","4581.8","0.3","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C56 H53 Fe N P2 -","- C56 H53 Fe N P2 -","- C224 H212 Fe4 N4 P8 -","4","1","","Grelaud, Guillaume; Cador, Olivier; Roisnel, Thierry; Argouarch, Gilles; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric","Triphenylamine Derivatives with Para-Disposed Pendant Electron-Rich Organoiron Alkynyl Substituents: Defining the Magnetic Interactions in a Trinuclear Iron(III) Trication","Organometallics","2012","31","5","1635","","10.1021/om2006358","","x-ray","0.71073","MoKα","","0.0926","0.0513","","","0.1244","0.133","","","","","","1.036","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076308","15.5966","0.0002","10.6035","0.0001","16.5766","0.0002","90","","109.682","0.001","90","","2581.25","0.05","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl2 Cr N2 -","- C28 H33 Cl2 Cr N2 -","- C112 H132 Cl8 Cr4 N8 -","4","1","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","","0.71073","MoKα","","0.0487","0.0398","","","0.0933","0.0991","","","","","","1.079","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076309","12.7984","0.0005","7.4565","0.0003","28.4004","0.0011","90","","98.134","0.002","90","","2683.02","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Cl2 Cr N2 -","- C29 H35 Cl2 Cr N2 -","- C116 H140 Cl8 Cr4 N8 -","4","1","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","x-ray","0.71073","MoKα","","0.0855","0.069","","","0.1624","0.1757","","","","","","1.077","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076310","10.211","0.002","21.9","0.004","15.64","0.003","90","","107.4","0.03","90","","3337.4","1.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl Cr N2 -","- C34 H38 Cl Cr N2 -","- C136 H152 Cl4 Cr4 N8 -","4","1","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","","0.6939","synchrotron","","0.1172","0.0852","","","0.2513","0.2706","","","","","","1.102","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076311","22.7359","0.0011","16.9398","0.0008","14.8727","0.0006","90","","90","","90","","5728.1","0.5","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H40 Cl Cr N2 O0.5 -","- C31 H40 Cl Cr N2 O0.5 -","- C248 H320 Cl8 Cr8 N16 O4 -","8","1","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","","0.71073","MoKα","","0.1368","0.1007","","","0.2645","0.2876","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076312","25.109","0.018","11.132","0.008","35.019","0.018","90","","133.97","0.03","90","","7045","9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Cr N2 -","- C42 H47 Cr N2 -","- C336 H376 Cr8 N16 -","8","2","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","x-ray","0.71073","","","0.0879","0.0609","","","0.1544","0.1684","","","","","","1.01","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076313","12.747","","12.747","","33.708","","90","","90","","120","","4743.29","","120","2","120","2","","","","","","","","8","P 32","P 32","145","","","","- C65 H55 B Cl Cr F24 N2 O -","- C65 H55 B Cl Cr F24 N2 O -","- C195 H165 B3 Cl3 Cr3 F72 N6 O3 -","3","1","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","","0.71073","MoKα","","0.2173","0.0958","","","0.217","0.2767","","","","","","1.006","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076314","12.6125","0.0014","15.1254","0.0013","21.731","0.002","107.063","0.006","93.236","0.004","97.023","0.005","3914.7","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H60 B Cr F24 N2 O -","- C71 H60 B Cr F24 N2 O -","- C142 H120 B2 Cr2 F48 N4 O2 -","2","1","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","x-ray","0.71073","MoKα","","0.249","0.1356","","","0.3222","0.3816","","","","","","1.016","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076315","14.1911","0.0005","22.616","0.0007","15.8258","0.0005","90","","89.983","0.002","90","","5079.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl Cr N2 -","- C28 H33 Cl Cr N2 -","- C224 H264 Cl8 Cr8 N16 -","8","2","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","","0.71073","MoKα","","0.1098","0.0615","","","0.1122","0.1282","","","","","","1.032","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076316","31.7161","0.0005","31.7161","0.0005","31.7161","0.0005","90","","90","","90","","31903.6","0.9","153","2","153","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C56 H66 Cl2 Cr2 N4 O -","- C56 H66 Cl2 Cr2 N4 O -","- C1344 H1584 Cl48 Cr48 N96 O24 -","24","0.5","","Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.","Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization","Organometallics","2012","31","5","1643","","10.1021/om200641u","","","0.71073","MoKα","","0.2179","0.1354","","","0.2492","0.2844","","","","","","1.173","","","","has coordinates","271475","2021-12-16","11:44:41",""
"4076317","11.3","0.0003","11.3","0.0003","28.1345","0.0018","90","","90","","90","","3592.5","0.3","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","","","- C38 H18 Co4 O12 -","- C38 H18 Co4 O12 -","- C152 H72 Co16 O48 -","4","1","","Melikyan, Gagik G.; Rivas, Bianca; Harutyunyan, Stepan; Carlson, Louis; Sepanian, Ruth","Cobaltocene-Induced Low-Temperature Radical Coupling Reactions in a Cobalt‒Alkyne Series","Organometallics","2012","31","5","1653","","10.1021/om2006497","","","1.54178","CuKα","","0.138","0.092","","","0.248","0.2777","","","","","","1.05","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076318","11.8926","0.0004","19.5888","0.0006","7.6155","0.0003","90","","90","","90","","1774.12","0.11","173","2","173","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Melikyan, Gagik G.; Rivas, Bianca; Harutyunyan, Stepan; Carlson, Louis; Sepanian, Ruth","Cobaltocene-Induced Low-Temperature Radical Coupling Reactions in a Cobalt‒Alkyne Series","Organometallics","2012","31","5","1653","","10.1021/om2006497","","","1.54178","CuKα","","0.058","0.0419","","","0.0867","0.0929","","","","","","1.03","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076319","10.5185","0.0001","11.146","0.0001","16.7776","0.0002","90","","90","","90","","1966.99","0.03","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Cl N4 Pt -","- C20 H25 Cl N4 Pt -","- C80 H100 Cl4 N16 Pt4 -","4","1","","Zhang, Xiaofei; Wright, Ashley M.; DeYonker, Nathan J.; Hollis, T. Keith; Hammer, Nathan I.; Webster, Charles Edwin; Valente, Edward J.","Synthesis, Air Stability, Photobleaching, and DFT Modeling of Blue Light Emitting Platinum CCC-N-Heterocyclic Carbene Pincer Complexes","Organometallics","2012","31","5","1664","","10.1021/om200687w","","","0.71073","MoKα","","0.02","0.0169","","","0.0317","0.0319","","","","","","1.003","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076320","10.314","0.0001","11.1814","0.0002","16.9083","0.0002","90","","90","","90","","1949.95","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br N4 Pt -","- C20 H25 Br N4 Pt -","- C80 H100 Br4 N16 Pt4 -","4","1","","Zhang, Xiaofei; Wright, Ashley M.; DeYonker, Nathan J.; Hollis, T. Keith; Hammer, Nathan I.; Webster, Charles Edwin; Valente, Edward J.","Synthesis, Air Stability, Photobleaching, and DFT Modeling of Blue Light Emitting Platinum CCC-N-Heterocyclic Carbene Pincer Complexes","Organometallics","2012","31","5","1664","","10.1021/om200687w","","","0.71073","MoKα","","0.0419","0.0299","","","0.0639","0.0716","","","","","","1.009","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076321","6.9519","0.0002","8.8643","0.0004","30.6884","0.0009","87.744","0.003","87.644","0.002","77.553","0.003","1844.22","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H37 Co O8 -","- C46 H37 Co O8 -","- C92 H74 Co2 O16 -","2","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.1128","0.0543","","","0.0969","0.1091","","","","","","0.973","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076322","12.948","0.003","32.013","0.003","9.058","0.002","90","","90","","90","","3754.6","1.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C46 H39 Co O9 -","- C46 H34 Co O9 -","- C184 H136 Co4 O36 -","4","0.5","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.1129","0.0864","","","0.2495","0.2866","","","","","","1.038","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076323","15.9614","0.0009","9.8616","0.0005","14.7153","0.0009","90","","105.083","0.007","90","","2236.5","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H23 Co O4 -","- C28 H23 Co O4 -","- C112 H92 Co4 O16 -","4","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.059","0.0412","","","0.0791","0.0833","","","","","","0.934","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076324","9.4461","0.0015","22.886","0.004","17.238","0.003","90","","100.653","0.018","90","","3662.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H37 Co O8 -","- C46 H37 Co O8 -","- C184 H148 Co4 O32 -","4","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.2035","0.0524","","","0.0816","0.1011","","","","","","0.693","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076325","12.4741","0.0004","14.4931","0.0004","17.3434","0.0005","87.648","0.002","88.802","0.002","80.041","0.002","3085.33","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H43 Co O4 -","- C38 H43 Co O4 -","- C152 H172 Co4 O16 -","4","2","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.1479","0.1115","","","0.3055","0.3149","","","","","","1.026","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076326","14.0376","0.0007","19.4515","0.0006","14.9838","0.0007","90","","118.555","0.006","90","","3593.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Co0.5 O4 -","- C19 H21.5 Co0.5 O4 -","- C152 H172 Co4 O32 -","8","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.1077","0.0643","","","0.1649","0.1798","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076327","16.3726","0.0009","9.9754","0.0006","14.5407","0.0008","90","","104.215","0.006","90","","2302.1","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","organometallic network","","","- C30 H25 Cr O4 -","- C30 H25 Cr O4 -","- C120 H100 Cr4 O16 -","4","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds","Organometallics","2012","31","5","1688","","10.1021/om200837t","","","0.71073","MoKα","","0.0823","0.0487","","","0.0881","0.0941","","","","","","0.989","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076328","16.671","0.002","10.964","0.002","27.6144","0.0018","90","","95.12","0.008","90","","5027.2","1.1","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cl7 N4 O4 Ru -","- C16 H17 Cl7 N4 O4 Ru -","- C128 H136 Cl56 N32 O32 Ru8 -","8","1","","Türkoglu, Gazi; Tampier, Stefan; Strinitz, Frank; Heinemann, Frank W.; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbonyl Complexes Bearing Bis(pyrazol-1-yl)carboxylato Ligands","Organometallics","2012","31","6","2166","","10.1021/om2009155","","x-ray","0.71073","MoKα","","0.0355","0.0283","","","0.0818","0.0847","","","","","","1.206","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076329","8.2954","0.0007","9.6359","0.0004","11.5264","0.0007","106.284","0.005","99.128","0.006","104.417","0.004","830.27","0.1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C15 H17 Cl N4 O4 Ru -","- C15 H17 Cl N4 O4 Ru -","- C30 H34 Cl2 N8 O8 Ru2 -","2","1","","Türkoglu, Gazi; Tampier, Stefan; Strinitz, Frank; Heinemann, Frank W.; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbonyl Complexes Bearing Bis(pyrazol-1-yl)carboxylato Ligands","Organometallics","2012","31","6","2166","","10.1021/om2009155","","x-ray","0.71073","MoKα","","0.0265","0.0228","","","0.0573","0.0588","","","","","","1.096","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076330","8.8301","0.0006","28.597","0.002","10.3379","0.0008","90","","114.173","0.005","90","","2381.6","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl12 N8 O8 Ru2 -","- C32 H34 Cl12 N8 O8 Ru2 -","- C64 H68 Cl24 N16 O16 Ru4 -","2","0.5","","Türkoglu, Gazi; Tampier, Stefan; Strinitz, Frank; Heinemann, Frank W.; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbonyl Complexes Bearing Bis(pyrazol-1-yl)carboxylato Ligands","Organometallics","2012","31","6","2166","","10.1021/om2009155","","x-ray","0.71073","MoKα","","0.0577","0.0455","","","0.113","0.1238","","","","","","1.169","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076331","30.18","0.006","12.912","0.003","28.568","0.006","90","","93.67","0.03","90","","11110","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(η^3^-Allyl)-{1-(2-picolyl)-3-(phenyl)-imidazolylidene-κ^2^ N,C}-nickel (II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate dichloromethane diethylether solvate","","","- C54 H40 B F24 N3 Ni O -","- C54 H40 B F24 N3 Ni O -","- C432 H320 B8 F192 N24 Ni8 O8 -","8","1","","Ben\?ítez Junquera, Lourdes; Puerta, M. Carmen; Valerga, Pedro","R-Allyl Nickel(II) Complexes with Chelating N-Heterocyclic Carbenes: Synthesis, Structural Characterization, and Catalytic Activity","Organometallics","2012","31","6","2175","","10.1021/om200937d","","x-ray","0.71073","MoKα","","0.1076","0.0982","","","0.2305","0.2373","","","","","","1.079","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076332","15.0183","0.0001","10.4278","0.0001","35.8282","0.0003","90","","101.38","0.0005","90","","5500.68","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H25 B18 Co O -","- C6 H25 B18 Co O -","- C72 H300 B216 Co12 O12 -","12","3","","Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana","The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules","Organometallics","2012","31","5","1703","","10.1021/om200938n","","","0.7107","MoKα","","0.0493","0.0354","","","0.0807","0.0861","","","","","","1.048","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076333","13.3333","0.0002","12.9059","0.0002","13.5899","0.0002","90","","105.958","0.0008","90","","2248.41","0.06","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H30 B18 Co N O -","- C11 H30 B18 Co N O -","- C44 H120 B72 Co4 N4 O4 -","4","1","","Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana","The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules","Organometallics","2012","31","5","1703","","10.1021/om200938n","","","0.7107","MoKα","","0.0288","0.0251","","","0.0629","0.0647","","","","","","1.047","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076334","10.6296","0.0001","9.9113","0.0001","23.2108","0.0003","90","","93.3422","0.0006","90","","2441.17","0.05","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H34 B18 Cl2 Co N O2 -","- C9 H34 B18 Cl2 Co N O2 -","- C36 H136 B72 Cl8 Co4 N4 O8 -","4","1","","Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana","The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules","Organometallics","2012","31","5","1703","","10.1021/om200938n","","","0.71073","MoKα","","0.0288","0.0247","","","0.0636","0.0659","","","","","","1.041","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076335","38.2599","0.0003","12.9046","0.0001","34.232","0.0003","90","","123.695","0.0004","90","","14061.9","0.2","150","2","150","2","","","","","","","synthesized by the authors","7","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H40.5 B18 Cl1.5 Co O P -","- C24 H40 B18 Co O P -","- C384 H640 B288 Co16 O16 P16 -","16","2","","Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana","The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules","Organometallics","2012","31","5","1703","","10.1021/om200938n","","","0.71073","MoKα","","0.049","0.0361","","","0.0989","0.1048","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076336","29.155","0.0002","7.113","0.0004","11.592","0.0007","90","","90","","90","","2403.9","0.2","150","2","150","2","","","","","","","synthesized by the authors","6","P n a 21","P 2c -2n","33","","","","- C11 H38 B18 Co N O -","- C11 H38 B18 Co N O -","- C44 H152 B72 Co4 N4 O4 -","4","1","","Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana","The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules","Organometallics","2012","31","5","1703","","10.1021/om200938n","","","0.71073","MoKα","","0.0398","0.0327","","","0.0736","0.078","","","","","","1.046","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076337","14.5021","0.0002","18.3083","0.0003","31.5734","0.0005","94.4656","0.0011","99.342","0.001","107.188","0.0007","7831.7","0.2","150","2","150","2","","","","","","","synthesized by the authors","8","P -1","-P 1","2","","","","- C58.5 H87.5 B18 Cl10.5 Co Cs N2 O5 -","- C57.75 H86.75 B18 Cl8.25 Co Cs N2 O5 -","- C231 H347 B72 Cl33 Co4 Cs4 N8 O20 -","4","2","","Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana","The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules","Organometallics","2012","31","5","1703","","10.1021/om200938n","","","0.71073","MoKα","","0.1093","0.0822","","","0.2236","0.24","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076338","7.434","0.002","10.147","0.003","12.988","0.003","90","","101.579","0.006","90","","959.8","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.0637","0.0403","","","0.0957","0.1069","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076339","16.835","0.0011","10.0153","0.0006","23.5193","0.0014","90","","90","","90","","3965.5","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H21 N2 P -","- C25 H21 N2 P -","- C200 H168 N16 P8 -","8","1","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.1408","0.0564","","","0.1143","0.1423","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076340","12.4037","0.0008","20.65","0.0014","18.9656","0.0014","90","","98.46","0.004","90","","4804.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H64 Cu N4 O P -","- C56 H64 Cu N4 O P -","- C224 H256 Cu4 N16 O4 P4 -","4","1","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.1474","0.0588","","","0.118","0.1483","","","","","","0.996","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076341","11.7744","0.0006","26.7682","0.0015","12.3243","0.0006","90","","91.391","0.003","90","","3883.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H45 N2 O P2 Rh -","- C47 H45 N2 O P2 Rh -","- C188 H180 N8 O4 P8 Rh4 -","4","1","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.0701","0.0391","","","0.0757","0.0865","","","","","","1.002","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076342","15.888","0.003","11.603","0.002","16.131","0.003","90","","118.29","0.03","90","","2618.5","1.1","396","2","396","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 N4 P2 Rh2 -","- C66 H64 N4 P2 Rh2 -","- C132 H128 N8 P4 Rh4 -","2","0.5","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.04","0.0292","","","0.0668","0.071","","","","","","1.041","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076343","11.4556","0.0005","13.7682","0.0006","14.6843","0.0005","90","","104.622","0.002","90","","2241.04","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Au2 N4 P2 -","- C50 H40 Au2 N4 P2 -","- C100 H80 Au4 N8 P4 -","2","0.5","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.0668","0.0368","","","0.0674","0.0732","","","","","","0.962","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076344","26.8211","0.0009","18.0574","0.0008","21.79","0.001","90","","106.575","0.002","90","","10114.8","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.5 H43.5 Au Cl N4 P2 -","- C51.5 H43.5 Au Cl N4 P2 -","- C412 H348 Au8 Cl8 N32 P16 -","8","1","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.0931","0.0483","","","0.1044","0.1153","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076345","20.1203","0.0008","15.9161","0.0006","18.5991","0.0007","90","","104.265","0.002","90","","5772.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H80 Au N4 O3 P -","- C64 H80 Au N4 O3 P -","- C256 H320 Au4 N16 O12 P4 -","4","1","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.0519","0.0302","","","0.0622","0.07","","","","","","1.003","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076346","9.298","0.0004","12.3701","0.0004","10.5919","0.0004","90","","101.32","0.003","90","","1194.55","0.08","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Mo2 N2 O8 -","- C18 H20 Br2 Mo2 N2 O8 -","- C36 H40 Br4 Mo4 N4 O16 -","2","0.5","","Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka","Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds","Organometallics","2012","31","6","2193","","10.1021/om2010244","","","0.71073","MoKα","","0.0501","0.0338","","","0.0664","0.0735","","","","","","1.109","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076347","10.127","0.0004","10.762","0.0004","10.8101","0.0005","66.654","0.004","77.431","0.004","84.127","0.004","1055.61","0.08","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Mo N2 O4 -","- C20 H28 Mo N2 O4 -","- C40 H56 Mo2 N4 O8 -","2","1","","Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka","Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds","Organometallics","2012","31","6","2193","","10.1021/om2010244","","","0.71073","MoKα","","0.0255","0.0217","","","0.0511","0.0536","","","","","","1.094","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076348","33.987","0.0012","7.267","0.0006","13.8271","0.0012","90","","94.584","0.005","90","","3404.1","0.4","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mo O8 -","- C16 H16 Mo O8 -","- C128 H128 Mo8 O64 -","8","2","","Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka","Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds","Organometallics","2012","31","6","2193","","10.1021/om2010244","","","0.71073","MoKα","","0.0653","0.0463","","","0.0867","0.0935","","","","","","1.161","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076349","7.5069","0.0005","9.912","0.0005","10.4911","0.0008","82.833","0.005","75.196","0.005","72.82","0.004","720.01","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Mo O6 -","- C14 H14 Mo O6 -","- C28 H28 Mo2 O12 -","2","1","","Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka","Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds","Organometallics","2012","31","6","2193","","10.1021/om2010244","","","0.71073","MoKα","","0.0456","0.0368","","","0.0838","0.0883","","","","","","1.12","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076350","21.3469","0.0003","7.45","0.0006","10.1251","0.0011","90","","90","","90","","1610.2","0.2","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H14 B F4 Mo N3 O2 -","- C11 H14 B F4 Mo N3 O2 -","- C44 H56 B4 F16 Mo4 N12 O8 -","4","1","","Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka","Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds","Organometallics","2012","31","6","2193","","10.1021/om2010244","","","0.71073","MoKα","","0.0347","0.0279","","","0.0657","0.0697","","","","","","1.052","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076351","27.3613","0.0011","13.479","0.0003","10.7391","0.0008","90","","107.741","0.005","90","","3772.3","0.3","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 B F4 Mo N3 O4 -","- C13 H16 B F4 Mo N3 O4 -","- C104 H128 B8 F32 Mo8 N24 O32 -","8","1","","Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka","Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds","Organometallics","2012","31","6","2193","","10.1021/om2010244","","","0.71073","MoKα","","0.0616","0.0384","","","0.0665","0.0747","","","","","","1.109","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076352","10.241","0.0008","10.348","0.0006","18.2559","0.0009","88.854","0.005","88.549","0.006","62.66","0.005","1717.9","0.2","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H40 As2 Cl2 N4 O5 Sb2 -","- C25 H40 As2 Cl2 N4 O5 Sb2 -","- C50 H80 As4 Cl4 N8 O10 Sb4 -","2","1","","Svoboda, Tomáš; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Proft, Frank De; Dostál, Libor","Reactivity of NCN-Chelated (NCN = C6H3-2,6-(CH2NMe2)2) Antimony(III) and Bismuth(III) Oxides toward Oxides of Arsenic","Organometallics","2012","31","5","1725","","10.1021/om201025d","","","0.71073","MoKα","","0.0608","0.0343","","","0.0556","0.0615","","","","","","1.035","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076353","10.2801","0.0006","10.393","0.0004","18.4839","0.0014","89.888","0.005","88.76","0.006","61.948","0.004","1742.35","0.19","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H40 As2 Bi2 Cl2 N4 O5 -","- C25 H40 As2 Bi2 Cl2 N4 O5 -","- C50 H80 As4 Bi4 Cl4 N8 O10 -","2","1","","Svoboda, Tomáš; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Proft, Frank De; Dostál, Libor","Reactivity of NCN-Chelated (NCN = C6H3-2,6-(CH2NMe2)2) Antimony(III) and Bismuth(III) Oxides toward Oxides of Arsenic","Organometallics","2012","31","5","1725","","10.1021/om201025d","","","0.71073","MoKα","","0.0569","0.0415","","","0.0958","0.1058","","","","","","1.113","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076354","8.7223","0.0017","11.066","0.002","16.689","0.003","90","","98.83","0.03","90","","1591.7","0.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Co N2 -","- C16 H25 Co N2 -","- C64 H100 Co4 N8 -","4","1","","Dürr, Simon; Zarzycki, Bartosz; Ertler, Daniel; Ivanović-Burmazović, Ivana; Radius, Udo","Aerobic CO Oxidation of a Metal-Bound Carbonyl in a NHC-Stabilized Cobalt Half-Sandwich Complex","Organometallics","2012","31","5","1730","","10.1021/om201037w","","","0.71073","MoKα","","0.053","0.0348","","","0.0757","0.0831","","","","","","1.044","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076355","8.9818","0.0018","13.696","0.003","16.921","0.003","90","","90.18","0.03","90","","2081.5","0.7","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Co N2 -","- C21 H35 Co N2 -","- C84 H140 Co4 N8 -","4","1","","Dürr, Simon; Zarzycki, Bartosz; Ertler, Daniel; Ivanović-Burmazović, Ivana; Radius, Udo","Aerobic CO Oxidation of a Metal-Bound Carbonyl in a NHC-Stabilized Cobalt Half-Sandwich Complex","Organometallics","2012","31","5","1730","","10.1021/om201037w","","","0.71073","MoKα","","0.0466","0.0338","","","0.083","0.0877","","","","","","1.052","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076356","12.081","0.002","9.89","0.002","13.083","0.003","90","","90","","90","","1563.2","0.5","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H21 Co N2 O -","- C15 H21 Co N2 O -","- C60 H84 Co4 N8 O4 -","4","1","","Dürr, Simon; Zarzycki, Bartosz; Ertler, Daniel; Ivanović-Burmazović, Ivana; Radius, Udo","Aerobic CO Oxidation of a Metal-Bound Carbonyl in a NHC-Stabilized Cobalt Half-Sandwich Complex","Organometallics","2012","31","5","1730","","10.1021/om201037w","","","0.71073","MoKα","","0.0359","0.0298","","","0.068","0.0737","","","","","","1.087","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076357","9.0775","0.0018","13.17","0.003","16.912","0.003","90","","91.75","0.03","90","","2020.9","0.7","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Co N2 O -","- C20 H31 Co N2 O -","- C80 H124 Co4 N8 O4 -","4","1","","Dürr, Simon; Zarzycki, Bartosz; Ertler, Daniel; Ivanović-Burmazović, Ivana; Radius, Udo","Aerobic CO Oxidation of a Metal-Bound Carbonyl in a NHC-Stabilized Cobalt Half-Sandwich Complex","Organometallics","2012","31","5","1730","","10.1021/om201037w","","","0.71073","MoKα","","0.0503","0.0362","","","0.0859","0.0928","","","","","","1.013","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076358","10.755","0.002","10.104","0.002","18.75","0.004","90","","96.78","0.03","90","","2023.3","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Co N2 O3 -","- C20 H31 Co N2 O3 -","- C80 H124 Co4 N8 O12 -","4","1","","Dürr, Simon; Zarzycki, Bartosz; Ertler, Daniel; Ivanović-Burmazović, Ivana; Radius, Udo","Aerobic CO Oxidation of a Metal-Bound Carbonyl in a NHC-Stabilized Cobalt Half-Sandwich Complex","Organometallics","2012","31","5","1730","","10.1021/om201037w","","","0.71073","MoKα","","0.1254","0.0527","","","0.0849","0.1048","","","","","","0.931","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076359","19.74","0.004","13.033","0.002","11.766","0.002","90","","90.618","0.015","90","","3026.9","0.9","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 Cl4 N2 P4 Pt Te2 -","- C62 H52 Cl4 N2 P4 Pt Te2 -","- C124 H104 Cl8 N4 P8 Pt2 Te4 -","2","0.5","","Chauhan, Rohit Singh; Kedarnath, G.; Wadawale, Amey; Rheingold, Arnold L.; Muñoz-Castro, Alvaro; Arratia-Perez, Ramiro; Jain, Vimal K.","Reactivity of Dipyridyl Ditellurides with (Diphosphine)Pt0and 2-Pyridyltellurolates with (Diphosphine)PtCl2and Isolation of Different Structural Motifs of Platinum(II) Complexes","Organometallics","2012","31","5","1743","","10.1021/om2010589","","","0.71069","MoKα","","0.0857","0.0514","","","0.1267","0.1478","","","","","","1.04","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076360","30.256","0.004","16.828","0.002","22.048","0.005","90","","123.007","0.002","90","","9414","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H100 B2 N2 P4 Pt2 Te2 -","- C112 H100 B2 N2 P4 Pt2 Te2 -","- C448 H400 B8 N8 P16 Pt8 Te8 -","4","0.5","","Chauhan, Rohit Singh; Kedarnath, G.; Wadawale, Amey; Rheingold, Arnold L.; Muñoz-Castro, Alvaro; Arratia-Perez, Ramiro; Jain, Vimal K.","Reactivity of Dipyridyl Ditellurides with (Diphosphine)Pt0and 2-Pyridyltellurolates with (Diphosphine)PtCl2and Isolation of Different Structural Motifs of Platinum(II) Complexes","Organometallics","2012","31","5","1743","","10.1021/om2010589","","","0.71073","MoKα","","0.0475","0.0287","","","0.0599","0.0666","","","","","","1.017","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076361","7.2873","0.0008","7.7101","0.0008","15.1225","0.0016","90","","101.933","0.002","90","","831.31","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1,3-Dimethyl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene-κ<i>C</i>^2^)trifluoroboron","","- C6 H10 B F3 N2 -","- C6 H10 B F3 N2 -","- C24 H40 B4 F12 N8 -","4","1","","Tian, Chong; Nie, Wanli; Borzov, Maxim V.; Su, Pengfei","High-Yield Thermolytic Conversion of Imidazolium Salts into Arduengo Carbene Adducts with BF3and PF5","Organometallics","2012","31","5","1751","","10.1021/om201086d","","","0.71073","MoKα","","0.0685","0.0391","","","0.0957","0.1046","","","","","","1.065","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076362","7.2918","0.0015","7.7091","0.0015","15.126","0.003","90","","101.935","0.003","90","","831.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-Ethyl-3-methyl-2,3-dihydro-1<i>H</i>-imidazol-2-yl-idene-κ<i>C</i>^2^)trifluoroboron","","- C6 H10 B F3 N2 -","- C6 H10 B F3 N2 -","- C24 H40 B4 F12 N8 -","4","1","","Tian, Chong; Nie, Wanli; Borzov, Maxim V.; Su, Pengfei","High-Yield Thermolytic Conversion of Imidazolium Salts into Arduengo Carbene Adducts with BF3and PF5","Organometallics","2012","31","5","1751","","10.1021/om201086d","","","0.71073","MoKα","","0.0677","0.0417","","","0.1027","0.11","","","","","","1.054","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076363","7.1365","0.0008","15.0684","0.0016","7.7793","0.0009","90","","92.141","0.002","90","","835.97","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,3-Dimethyl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene-κ<i>C</i>^2^)pentafluorophosphorous","","- C5 H8 F5 N2 P -","- C5 H8 F5 N2 P -","- C20 H32 F20 N8 P4 -","4","1","","Tian, Chong; Nie, Wanli; Borzov, Maxim V.; Su, Pengfei","High-Yield Thermolytic Conversion of Imidazolium Salts into Arduengo Carbene Adducts with BF3and PF5","Organometallics","2012","31","5","1751","","10.1021/om201086d","","","0.71073","MoKα","","0.0508","0.0394","","","0.1239","0.131","","","","","","1.142","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076364","8.3723","0.0012","7.5087","0.001","14.914","0.002","90","","94.799","0.004","90","","934.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,3-Dimethyl-1<i>H</i>-imidazolium-2-yl)methylpentafluorophosphate","","- C6 H10 F5 N2 P -","- C6 H10 F5 N2 P -","- C24 H40 F20 N8 P4 -","4","1","","Tian, Chong; Nie, Wanli; Borzov, Maxim V.; Su, Pengfei","High-Yield Thermolytic Conversion of Imidazolium Salts into Arduengo Carbene Adducts with BF3and PF5","Organometallics","2012","31","5","1751","","10.1021/om201086d","","","0.71073","MoKα","","0.0924","0.0574","","","0.1501","0.1659","","","","","","1.063","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076365","24.0972","0.0012","11.339","0.0007","17.701","0.0008","90","","100.487","0.004","90","","4755.8","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N6 Si4 Sn -","- C42 H64 N6 Si4 Sn -","- C168 H256 N24 Si16 Sn4 -","4","1","","Chlupatý, Tomáš; Padělková, Zdeňka; DeProft, Frank; Willem, Rudolph; Růžička, Aleš","Addition of Lappert's Stannylenes to Carbodiimides, Providing a New Class of Tin(II) Guanidinates","Organometallics","2012","31","6","2203","","10.1021/om201118m","","","0.71073","MoKα","","0.0576","0.0356","","","0.0657","0.0762","","","","","","1.098","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076366","9.964","0.0005","11.0551","0.0005","13.6129","0.0005","68.42","0.003","77.555","0.003","68.335","0.004","1290.37","0.11","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Cl N3 Si2 Sn -","- C21 H32 Cl N3 Si2 Sn -","- C42 H64 Cl2 N6 Si4 Sn2 -","2","1","","Chlupatý, Tomáš; Padělková, Zdeňka; DeProft, Frank; Willem, Rudolph; Růžička, Aleš","Addition of Lappert's Stannylenes to Carbodiimides, Providing a New Class of Tin(II) Guanidinates","Organometallics","2012","31","6","2203","","10.1021/om201118m","","","0.71073","MoKα","","0.0276","0.0223","","","0.0504","0.0538","","","","","","1.094","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076367","17.895","0.0004","17.895","0.0019","16.1841","0.0002","90","","90","","90","","5182.7","0.6","150","1","150","1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C19 H40 Cl N3 Si2 Sn -","- C19 H40 Cl N3 Si2 Sn -","- C152 H320 Cl8 N24 Si16 Sn8 -","8","1","","Chlupatý, Tomáš; Padělková, Zdeňka; DeProft, Frank; Willem, Rudolph; Růžička, Aleš","Addition of Lappert's Stannylenes to Carbodiimides, Providing a New Class of Tin(II) Guanidinates","Organometallics","2012","31","6","2203","","10.1021/om201118m","","","0.71073","MoKα","","0.05","0.0322","","","0.0557","0.0649","","","","","","1.177","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076368","12.603","0.0009","12.742","0.0007","14.1991","0.0011","79.35","0.005","64.789","0.006","75.427","0.005","1988.8","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H110 N8 O3 Si8 Sn2 -","- C62 H120 N8 O4 Si8 Sn2 -","- C62 H120 N8 O4 Si8 Sn2 -","1","0.5","","Chlupatý, Tomáš; Padělková, Zdeňka; DeProft, Frank; Willem, Rudolph; Růžička, Aleš","Addition of Lappert's Stannylenes to Carbodiimides, Providing a New Class of Tin(II) Guanidinates","Organometallics","2012","31","6","2203","","10.1021/om201118m","","","0.71073","MoKα","","0.0757","0.0545","","","0.12","0.1331","","","","","","1.181","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076369","12.496","0.0009","27.177","0.003","15.627","0.0012","90","","95.929","0.007","90","","5278.6","0.8","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 N6 Si4 Sn -","- C48 H78 N6 Si4 Sn -","- C192 H312 N24 Si16 Sn4 -","4","1","","Chlupatý, Tomáš; Padělková, Zdeňka; DeProft, Frank; Willem, Rudolph; Růžička, Aleš","Addition of Lappert's Stannylenes to Carbodiimides, Providing a New Class of Tin(II) Guanidinates","Organometallics","2012","31","6","2203","","10.1021/om201118m","","","0.71073","MoKα","","0.0679","0.0423","","","0.0736","0.084","","","","","","1.126","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076370","12.801","0.0006","24.437","0.0012","14.0419","0.0007","90","","90.936","0.003","90","","4392","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cl P3 Sn -","- C54 H42 Cl P3 Sn -","- C216 H168 Cl4 P12 Sn4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis and Reactivity of Rhodium Complexes Bearing [E(o-C6H4PPh2)3]-Type Tetradentate Ligands (E = Si, Ge, and Sn)","Organometallics","2012","31","6","2212","","10.1021/om2011276","","","0.7107","MoKα","","0.0579","0.0526","","","0.1224","0.1251","","","","","","1.194","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076371","16.49","0.0005","31.31","0.001","17.71","0.0005","90","","90","","90","","9143.7","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55.5 H43 Cl O P3 Rh Si -","- C55.5 H43 Cl O P3 Rh Si -","- C444 H344 Cl8 O8 P24 Rh8 Si8 -","8","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis and Reactivity of Rhodium Complexes Bearing [E(o-C6H4PPh2)3]-Type Tetradentate Ligands (E = Si, Ge, and Sn)","Organometallics","2012","31","6","2212","","10.1021/om2011276","","","0.7107","MoKα","","0.0458","0.0433","","","0.084","0.085","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076372","13.0174","0.0016","17.5299","0.0019","19.907","0.003","90","","98.82","0.003","90","","4488.9","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H42 Ge O P3 Rh -","- C55 H42 Ge O P3 Rh -","- C220 H168 Ge4 O4 P12 Rh4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis and Reactivity of Rhodium Complexes Bearing [E(o-C6H4PPh2)3]-Type Tetradentate Ligands (E = Si, Ge, and Sn)","Organometallics","2012","31","6","2212","","10.1021/om2011276","","","0.7107","MoKα","","0.0814","0.0644","","","0.0951","0.0991","","","","","","1.251","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076373","9.851","0.002","13.47","0.004","18.726","0.005","89.478","0.006","87.248","0.006","75.785","0.005","2405.9","1.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Cl2 O P3 Rh Sn -","- C56 H44 Cl2 O P3 Rh Sn -","- C112 H88 Cl4 O2 P6 Rh2 Sn2 -","2","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis and Reactivity of Rhodium Complexes Bearing [E(o-C6H4PPh2)3]-Type Tetradentate Ligands (E = Si, Ge, and Sn)","Organometallics","2012","31","6","2212","","10.1021/om2011276","","","0.7107","MoKα","","0.0773","0.0616","","","0.1345","0.142","","","","","","1.12","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076374","24.2964","0.0009","24.2266","0.0007","39.8765","0.0016","90","","106.537","0.0015","90","","22501.2","1.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63.75 H60.5 Ge O3 P4 Rh -","- C63.75 H51 Ge O3 P4 Rh -","- C1020 H816 Ge16 O48 P64 Rh16 -","16","2","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis and Reactivity of Rhodium Complexes Bearing [E(o-C6H4PPh2)3]-Type Tetradentate Ligands (E = Si, Ge, and Sn)","Organometallics","2012","31","6","2212","","10.1021/om2011276","","","0.7107","MoKα","","0.0695","0.0629","","","0.1385","0.1415","","","","","","1.232","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076375","12.9502","0.0005","11.6282","0.0004","15.9231","0.0006","90","","105.476","0.002","90","","2310.88","0.15","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H41 Co N P3 -","- C17 H41 Co N P3 -","- C68 H164 Co4 N4 P12 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)","Organometallics","2012","31","6","2219","","10.1021/om2011326","","","0.71073","MoKα","","0.0816","0.0617","","","0.1683","0.1845","","","","","","1.055","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076376","8.9084","0.0006","13.487","0.001","20.1294","0.0014","90","","92.407","0.003","90","","2416.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H41 Co N O3 P3 -","- C17 H41 Co N O3 P3 -","- C68 H164 Co4 N4 O12 P12 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)","Organometallics","2012","31","6","2219","","10.1021/om2011326","","","0.71073","MoKα","","0.0374","0.0267","","","0.0661","0.0717","","","","","","1.045","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076377","8.1849","0.0007","9.6528","0.0008","25.202","0.002","90","","95.097","0.004","90","","1983.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H32 Co N O P2 -","- C15 H32 Co N O P2 -","- C60 H128 Co4 N4 O4 P8 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)","Organometallics","2012","31","6","2219","","10.1021/om2011326","","","0.71073","MoKα","","0.0381","0.0291","","","0.0701","0.0751","","","","","","1.022","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076378","16.8708","0.0016","10.761","0.001","16.1695","0.0015","90","","109.678","0.005","90","","2764.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Co F3 N O3 P3 S -","- C18 H42 Co F3 N O3 P3 S -","- C72 H168 Co4 F12 N4 O12 P12 S4 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)","Organometallics","2012","31","6","2219","","10.1021/om2011326","","","0.71073","MoKα","","0.0324","0.0232","","","0.0515","0.0558","","","","","","1.054","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076379","18.8272","0.0015","16.3686","0.0013","15.3104","0.0013","90","","90","","90","","4718.3","0.7","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C16 H33 Co F3 N O4 P2 S -","- C16 H33 Co F3 N O4 P2 S -","- C128 H264 Co8 F24 N8 O32 P16 S8 -","8","2","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)","Organometallics","2012","31","6","2219","","10.1021/om2011326","","","0.71073","MoKα","","0.0666","0.0616","","","0.164","0.1705","","","","","","1.029","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076380","10.6746","0.0007","19.3537","0.0013","17.1144","0.0011","90","","90.133","0.004","90","","3535.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H53 Co F3 O13 P5 S -","- C20 H53 Co F3 O13 P5 S -","- C80 H212 Co4 F12 O52 P20 S4 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)","Organometallics","2012","31","6","2219","","10.1021/om2011326","","","0.71073","MoKα","","0.0577","0.0387","","","0.0853","0.0938","","","","","","1.107","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076381","15.2319","0.0016","11.8561","0.0012","20.623","0.002","90","","97.346","0.005","90","","3693.8","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H49 Co F6 N O10 P3 S2 -","- C22 H49 Co F6 N O10 P3 S2 -","- C88 H196 Co4 F24 N4 O40 P12 S8 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)","Organometallics","2012","31","6","2219","","10.1021/om2011326","","","0.71073","MoKα","","0.0425","0.03","","","0.0631","0.0697","","","","","","1.045","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076382","10.758","0.004","16.535","0.005","21.784","0.007","68.108","0.005","82.948","0.005","76.449","0.004","3493","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H50 B20 Co N4 -","- C18 H50 B20 Co N4 -","- C72 H200 B80 Co4 N16 -","4","2","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.1114","0.0499","","","0.0997","0.1146","","","","","","0.805","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076383","14.7384","0.0015","13.0987","0.0013","19.264","0.002","90","","108.937","0.002","90","","3517.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H50 B20 N4 Ni -","- C18 H50 B20 N4 Ni -","- C72 H200 B80 N16 Ni4 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.1038","0.0463","","","0.1194","0.1546","","","","","","0.834","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076384","21.703","0.007","12.238","0.004","19.483","0.007","90","","90","","90","","5175","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H66 B20 N4 Ni -","- C30 H66 B20 N4 Ni -","- C120 H264 B80 N16 Ni4 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.0973","0.0594","","","0.1461","0.1556","","","","","","0.882","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076385","13.682","0.009","8.324","0.005","15.107","0.01","90","","101.544","0.009","90","","1685.7","1.9","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H50 B20 Cu N4 -","- C18 H50 B20 Cu N4 -","- C36 H100 B40 Cu2 N8 -","2","0.5","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.116","0.0763","","","0.1709","0.182","","","","","","0.912","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076386","10.419","0.004","17.301","0.007","10.917","0.004","90","","109.029","0.005","90","","1860.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H25 B10 Cu N2 S -","- C9 H25 B10 Cu N2 S -","- C36 H100 B40 Cu4 N8 S4 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.1087","0.0417","","","0.0638","0.0733","","","","","","0.745","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076387","9.19","0.004","12.995","0.005","13.616","0.005","90","","90","","90","","1626.1","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 B9 N2 -","- C9 H27 B9 N2 -","- C36 H108 B36 N8 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.0723","0.0622","","","0.1597","0.1662","","","","","","1.026","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076388","9.343","0.005","11.937","0.006","19.679","0.01","90","","101.363","0.007","90","","2151.7","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H35 B9 N2 -","- C15 H35 B9 N2 -","- C60 H140 B36 N8 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.1198","0.0583","","","0.1254","0.146","","","","","","0.856","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076389","9.531","0.003","18.238","0.006","19.183","0.007","90","","103.276","0.004","90","","3245.4","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 B9 Cl N2 Ni P -","- C27 H41 B9 Cl N2 Ni P -","- C108 H164 B36 Cl4 N8 Ni4 P4 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.0816","0.0489","","","0.1093","0.1195","","","","","","0.876","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076390","13.4","0.003","15.493","0.002","14.738","0.002","90","","110.416","0.012","90","","2867.5","0.9","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H33 Cl2 O2.5 Si4 Zr -","- C18 H30 Cl2 O2 Si4 Zr -","- C72 H120 Cl8 O8 Si16 Zr4 -","4","1","","Londaitsbehere, Addis; Cuenca, Tomás; Mosquera, Marta E.G.; Cano, Jesús; Milione, Stefano; Grassi, Alfonso","1,3-Double Siloxo-Bridged Zirconium Metallocene for Propene and 1-Hexene Regioselective Oligomerization","Organometallics","2012","31","5","2108","","10.1021/om2011535","","","0.71069","MoKα","","0.1293","0.0608","","","0.1415","0.1613","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076391","8.3961","0.0004","24.1322","0.0015","9.1451","0.0005","90","","111.076","0.002","90","","1728.99","0.17","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H23 N2 O2 P W -","- C15 H23 N2 O2 P W -","- C60 H92 N8 O8 P4 W4 -","4","1","","van der Eide, Edwin F.; Liu, Tianbiao; Camaioni, Donald M.; Walter, Eric D.; Bullock, R. Morris","Facile Thermal W‒W Bond Homolysis in the N-Heterocyclic Carbene Containing Tungsten Dimer [CpW(CO)2(IMe)]2","Organometallics","2012","31","5","1775","","10.1021/om201162g","","","0.71073","MoKα","","0.0121","0.012","","","0.0277","0.0278","","","","","","1","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076392","18.4009","0.0009","13.5082","0.0007","13.939","0.0013","90","","120.862","0.002","90","","2974.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H18 N2 O2 W -","- C15.5 H18 N2 O2 W -","- C124 H144 N16 O16 W8 -","8","1","","van der Eide, Edwin F.; Liu, Tianbiao; Camaioni, Donald M.; Walter, Eric D.; Bullock, R. Morris","Facile Thermal W‒W Bond Homolysis in the N-Heterocyclic Carbene Containing Tungsten Dimer [CpW(CO)2(IMe)]2","Organometallics","2012","31","5","1775","","10.1021/om201162g","","","0.71073","MoKα","","0.0203","0.0172","","","0.0366","0.0381","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076393","10.5707","0.0003","12.0465","0.0003","14.5973","0.0004","90","","104.596","0.001","90","","1798.83","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F6 N3 O2 P W -","- C14 H16 F6 N3 O2 P W -","- C56 H64 F24 N12 O8 P4 W4 -","4","1","","van der Eide, Edwin F.; Liu, Tianbiao; Camaioni, Donald M.; Walter, Eric D.; Bullock, R. Morris","Facile Thermal W‒W Bond Homolysis in the N-Heterocyclic Carbene Containing Tungsten Dimer [CpW(CO)2(IMe)]2","Organometallics","2012","31","5","1775","","10.1021/om201162g","","","0.71073","MoKα","","0.0156","0.0146","","","0.0719","0.0756","","","","","","0.698","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076394","7.63","0.0003","11.6244","0.0006","22.3412","0.001","90","","91.084","0.002","90","","1981.18","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F6 N2 O3 P W -","- C16 H21 F6 N2 O3 P W -","- C64 H84 F24 N8 O12 P4 W4 -","4","1","","van der Eide, Edwin F.; Liu, Tianbiao; Camaioni, Donald M.; Walter, Eric D.; Bullock, R. Morris","Facile Thermal W‒W Bond Homolysis in the N-Heterocyclic Carbene Containing Tungsten Dimer [CpW(CO)2(IMe)]2","Organometallics","2012","31","5","1775","","10.1021/om201162g","","","0.71073","MoKα","","0.0459","0.0442","","","0.1249","0.1267","","","","","","0.969","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076395","9.972","0.0006","19.5503","0.001","10.5346","0.0006","90","","114.459","0.003","90","","1869.47","0.19","230","2","230","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H59 Lu N4 O Si2 -","- C33 H59 Lu N4 O Si2 -","- C66 H118 Lu2 N8 O2 Si4 -","2","1","","Otero, Antonio; Lara-Sánchez, Agustín; Nájera, Carmen; Fernández-Baeza, Juan; Márquez-Segovia, Isabel; Castro-Osma, José Antonio; Martínez, Javier; Sánchez-Barba, Luis F.; Rodríguez, Ana M.","New Highly Active Heteroscorpionate-Containing Lutetium Catalysts for the Hydroamination of Aminoalkenes: Isolation and Structural Characterization of a Dipyrrolidinide‒Lutetium Complex","Organometallics","2012","31","6","2244","","10.1021/om2011672","","","0.71073","MoKα","","0.0757","0.0637","","","0.1498","0.1572","","","","","","1.057","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076396","15.199","0.002","25.257","0.003","15.9042","0.0019","90","","94.575","0.007","90","","6085.9","1.3","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72.5 H85 Lu N6 -","- C55 H65 Lu N6 -","- C220 H260 Lu4 N24 -","4","1","","Otero, Antonio; Lara-Sánchez, Agustín; Nájera, Carmen; Fernández-Baeza, Juan; Márquez-Segovia, Isabel; Castro-Osma, José Antonio; Martínez, Javier; Sánchez-Barba, Luis F.; Rodríguez, Ana M.","New Highly Active Heteroscorpionate-Containing Lutetium Catalysts for the Hydroamination of Aminoalkenes: Isolation and Structural Characterization of a Dipyrrolidinide‒Lutetium Complex","Organometallics","2012","31","6","2244","","10.1021/om2011672","","","0.71073","MoKα","","0.117","0.0457","","","0.1228","0.156","","","","","","0.859","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076397","10.842","0.0004","22.6464","0.0007","14.5229","0.0005","90","","98.322","0.002","90","","3528.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H102 N4 Ni2 O2 -","- C82 H102 N4 Ni2 O2 -","- C164 H204 N8 Ni4 O4 -","2","0.5","","Radlauer, Madalyn; Day, Michael W.; Agapie, Theodor","Dinickel Bisphenoxyiminato Complexes for the Polymerization of Ethylene and α-Olefins.","Organometallics","2012","31","6","2231","2243","10.1021/om2011694","","","0.71073","MoKα","","0.0909","0.0628","","","0.0754","0.0759","","","","","","3.87","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076398","17.1455","0.001","18.0109","0.001","23.4009","0.0013","70.258","0.003","72.094","0.003","84.191","0.003","6472.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H92 N4 Ni2 O2 -","- C70.5 H92 N4 Ni2 O2 -","- C282 H368 N16 Ni8 O8 -","4","2","","Radlauer, Madalyn; Day, Michael W.; Agapie, Theodor","Dinickel Bisphenoxyiminato Complexes for the Polymerization of Ethylene and α-Olefins.","Organometallics","2012","31","6","2231","2243","10.1021/om2011694","","","0.71073","MoKα","","0.1363","0.0558","","","0.0618","0.0655","","","","","","1.277","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4076399","9.3525","0.0004","13.3346","0.0006","16.0237","0.0007","69.653","0.002","77.243","0.002","87.569","0.002","1826.12","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45 B N5 Rh -","- C45 H45 B N5 Rh -","- C90 H90 B2 N10 Rh2 -","2","1","","Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.","New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination","Organometallics","2012","31","5","1790","","10.1021/om201171b","","","0.71073","MoKα","","0.0395","0.0296","","","0.0632","0.067","","","","","","1.028","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076400","13.4051","0.0009","14.1548","0.001","15.0838","0.0009","85.584","0.002","81.196","0.002","69.99","0.002","2656.7","0.3","155","2","155","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H37 B F24 N5 Rh -","- C53 H37 B F24 N5 Rh -","- C106 H74 B2 F48 N10 Rh2 -","2","1","","Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.","New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination","Organometallics","2012","31","5","1790","","10.1021/om201171b","","","0.71073","MoKα","","0.0473","0.039","","","0.0963","0.1029","","","","","","1.036","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076401","9.3735","0.0004","13.3351","0.0006","16.0351","0.0007","69.528","0.002","77.209","0.002","87.864","0.002","1829.38","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45 B Ir N5 -","- C45 H45 B Ir N5 -","- C90 H90 B2 Ir2 N10 -","2","1","","Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.","New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination","Organometallics","2012","31","5","1790","","10.1021/om201171b","","","0.71073","MoKα","","0.0218","0.0185","","","0.0413","0.0422","","","","","","1.162","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076402","14.0676","0.0005","12.4987","0.0004","21.4061","0.0007","90","","90","","90","","3763.8","0.2","155","2","155","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B Cl2 N5 O2 Rh -","- C40 H35 B Cl2 N5 O2 Rh -","- C160 H140 B4 Cl8 N20 O8 Rh4 -","4","1","","Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.","New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination","Organometallics","2012","31","5","1790","","10.1021/om201171b","","","0.71073","MoKα","","0.0387","0.0284","","","0.0694","0.0719","","","","","","1.034","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076403","14.0962","0.0006","12.5037","0.0005","21.2816","0.0009","90","","90","","90","","3751","0.3","151","2","151","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B Cl2 Ir N5 O2 -","- C40 H35 B Cl2 Ir N5 O2 -","- C160 H140 B4 Cl8 Ir4 N20 O8 -","4","1","","Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.","New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination","Organometallics","2012","31","5","1790","","10.1021/om201171b","","","0.71073","MoKα","","0.0534","0.0267","","","0.0424","0.0468","","","","","","0.642","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076404","12.5688","0.001","13.8752","0.0011","15.9496","0.0013","92.637","0.003","108.229","0.002","105.087","0.003","2526.1","0.4","155","2","155","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.5 H25 B Cl F24 Ir N5 O2 -","- C47.25 H25 B Cl0.52 F24 Ir N5 O2 -","- C94.5 H50 B2 Cl1.04 F48 Ir2 N10 O4 -","2","1","","Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.","New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination","Organometallics","2012","31","5","1790","","10.1021/om201171b","","","0.71073","MoKα","","0.0469","0.0432","","","0.1352","0.1392","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076405","12.9385","0.0006","13.453","0.0007","16.1153","0.0008","96.722","0.002","109.539","0.002","100.642","0.002","2549.2","0.2","151","2","151","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H25 B Cl2 F24 N5 O2 Rh -","- C47 H25 B Cl2 F24 N5 O2 Rh -","- C94 H50 B2 Cl4 F48 N10 O4 Rh2 -","2","1","","Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.","New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination","Organometallics","2012","31","5","1790","","10.1021/om201171b","","","0.71073","MoKα","","0.0417","0.0379","","","0.1248","0.1313","","","","","","1.091","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076406","12.984","0.003","13.44","0.003","16.087","0.004","96.593","0.004","109.454","0.004","100.85","0.004","2551.5","1","151","2","151","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H25 B Cl2 F24 Ir N5 O2 -","- C47 H25 B Cl2 F24 Ir N5 O2 -","- C94 H50 B2 Cl4 F48 Ir2 N10 O4 -","2","1","","Hua, Carol; Vuong, Khuong Q.; Bhadbhade, Mohan; Messerle, Barbara A.","New Rhodium(I) and Iridium(I) Complexes Containing Mixed Pyrazolyl‒1,2,3-Triazolyl Ligands As Catalysts for Hydroamination","Organometallics","2012","31","5","1790","","10.1021/om201171b","","","0.71073","MoKα","","0.0261","0.0245","","","0.0624","0.0641","","","","","","1.057","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076407","7.7013","0.0014","12.887","0.002","15.119","0.003","70.48","0.008","75.639","0.009","75.383","0.009","1346.3","0.4","222","2","222","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H28 Cl N6 O3 Pt S4 -","- C17 H29 Cl N6 O3 Pt S4 -","- C34 H58 Cl2 N12 O6 Pt2 S8 -","2","1","","Ali, Awadelkareem A.; Nimir, Hassan; Aktas, Cenk; Huch, Volker; Rauch, Ulrich; Schäfer, Karl-Herbert; Veith, Michael","Organoplatinum(II) Complexes with 2-Acetylthiophene Thiosemicarbazone: Synthesis, Characterization, Crystal Structures, and in Vitro Antitumor Activity","Organometallics","2012","31","6","2256","","10.1021/om201178q","","","0.71073","MoKα","","0.0835","0.0744","","","0.2018","0.2082","","","","","","1.147","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076408","9.7853","0.0015","11.775","0.0018","24.179","0.004","96.994","0.006","93.403","0.007","94.925","0.006","2748.1","0.8","134","2","134","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 N16 O4 Pt4 S8 -","- C40 H56 N16 O4 Pt4 S8 -","- C80 H112 N32 O8 Pt8 S16 -","2","1","","Ali, Awadelkareem A.; Nimir, Hassan; Aktas, Cenk; Huch, Volker; Rauch, Ulrich; Schäfer, Karl-Herbert; Veith, Michael","Organoplatinum(II) Complexes with 2-Acetylthiophene Thiosemicarbazone: Synthesis, Characterization, Crystal Structures, and in Vitro Antitumor Activity","Organometallics","2012","31","6","2256","","10.1021/om201178q","","","0.71073","MoKα","","0.1269","0.0665","","","0.1253","0.1454","","","","","","1.041","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076409","9.3774","0.0002","19.0852","0.0003","10.0191","0.0002","90","","94.8205","0.0013","90","","1786.77","0.06","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 As4 I6 -","- C3 H6 As4 I6 -","- C12 H24 As16 I24 -","4","1","","Lu, Di; Coote, Michelle L.; Ho, Junming; Kilah, Nathan L.; Lin, Ching-Yeh; Salem, Geoff; Weir, Michelle L.; Willis, Anthony C.; Wild, S. Bruce; Dilda, Pierre J.","Resolution and Improved Synthesis of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia Cell Line Activity","Organometallics","2012","31","5","1808","","10.1021/om201180d","","","0.71073","MoKα","","0.0376","0.0318","","0.0831","0.078","0.0831","","","","","","0.9534","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076410","6.8594","0.0003","9.8038","0.0005","12.3203","0.0006","90","","90","","90","","828.52","0.07","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 As4 O3 -","- C3 H6 As4 O3 -","- C12 H24 As16 O12 -","4","1","","Lu, Di; Coote, Michelle L.; Ho, Junming; Kilah, Nathan L.; Lin, Ching-Yeh; Salem, Geoff; Weir, Michelle L.; Willis, Anthony C.; Wild, S. Bruce; Dilda, Pierre J.","Resolution and Improved Synthesis of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia Cell Line Activity","Organometallics","2012","31","5","1808","","10.1021/om201180d","","","0.71073","MoKα","","0.0414","0.0355","","0.0835","0.0804","0.0835","","","","","","1.0708","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076411","19.0109","0.0004","19.2536","0.0005","21.9965","0.0006","90","","98.13","0.003","90","","7970.4","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl2 P3 Re -","- C38 H54 Cl2 P3 Re -","- C304 H432 Cl16 P24 Re8 -","8","2","","Chen, Jiangxi; Shi, Chuan; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Hydrogen Shift Reactions of Rhenium Hydrido Carbyne Complexes","Organometallics","2012","31","5","1817","","10.1021/om201184m","","x-ray","1.5418","CuKα","","0.0272","0.0227","","","0.0527","0.0538","","","","","","1.024","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076412","9.7693","0.0001","10.0002","0.0001","38.8107","0.0004","90","","95.089","0.001","90","","3776.66","0.07","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Cl P3 Re -","- C38 H55 Cl P3 Re -","- C152 H220 Cl4 P12 Re4 -","4","1","","Chen, Jiangxi; Shi, Chuan; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Hydrogen Shift Reactions of Rhenium Hydrido Carbyne Complexes","Organometallics","2012","31","5","1817","","10.1021/om201184m","","","1.5418","CuKα","","0.0497","0.0372","","","0.0786","0.0822","","","","","","1.013","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076413","22.908","0.007","22.9","0.006","15.363","0.006","90","","127.463","0.017","90","","6397","4","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H53 B Ru3 -","- C34 H51 B Ru3 -","- C272 H408 B8 Ru24 -","8","1","","Takao, Toshiro; Suwa, Hitoshi; Okamura, Rei; Suzuki, Hiroharu","Formation of a Boraruthenacyclopentenyl Skeleton via B‒C Bond Formation across a Triruthenium Plane","Organometallics","2012","31","5","1825","","10.1021/om201186z","","","0.71069","MoKα","","0.0392","0.0272","","","0.0697","0.0745","","","","","","1.038","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076414","11.1524","0.0008","11.6756","0.0009","15.788","0.0011","100.748","0.002","90.607","0.002","113.712","0.0019","1840.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H57 B Ru3 -","- C40 H57 B Ru3 -","- C80 H114 B2 Ru6 -","2","1","","Takao, Toshiro; Suwa, Hitoshi; Okamura, Rei; Suzuki, Hiroharu","Formation of a Boraruthenacyclopentenyl Skeleton via B‒C Bond Formation across a Triruthenium Plane","Organometallics","2012","31","5","1825","","10.1021/om201186z","","","0.71069","MoKα","","0.0495","0.037","","","0.0856","0.0929","","","","","","1.068","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076415","18.2835","0.0003","22.4887","0.0004","15.8839","0.0003","90","","90","","90","","6531","0.2","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H53 B Ru3 -","- C34 H46 B Ru3 -","- C272 H368 B8 Ru24 -","8","1","","Takao, Toshiro; Suwa, Hitoshi; Okamura, Rei; Suzuki, Hiroharu","Formation of a Boraruthenacyclopentenyl Skeleton via B–C Bond Formation across a Triruthenium Plane","Organometallics","2012","31","5","1825","","10.1021/om201186z","","","0.71069","MoKα","","0.0458","0.0432","","","0.0967","0.0979","","","","","","1.21","","","","has coordinates","288539","2023-12-24","00:56:18",""
"4076416","9.0774","0.0002","22.2969","0.0005","10.8304","0.0003","90","","104.302","0.003","90","","2124.11","0.09","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O P Re -","- C24 H25 N O P Re -","- C96 H100 N4 O4 P4 Re4 -","4","1","","Dudle, Balz; Blacque, Olivier; Berke, Heinz","Ethylene Reactions of a [ReH(η2-BH4)(NO)(PPh3)2] Complex: Reductive Elimination of Ethane and Oxidative Coupling to Butadiene","Organometallics","2012","31","5","1832","","10.1021/om201187w","","","0.71073","MoKα","","0.029","0.0254","","","0.057","0.0579","","","","","","1.242","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076417","12.8813","0.001","16.6456","0.0013","32.319","0.002","90","","90","","90","","6929.7","0.9","230","2","230","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H51 N4 Nb -","- C35 H51 N4 Nb -","- C280 H408 N32 Nb8 -","8","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio","New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions","Organometallics","2012","31","5","1840","","10.1021/om201192w","","","0.71073","MoKα","","0.1506","0.0615","","","0.1211","0.1496","","","","","","0.977","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076418","8.4533","0.0005","12.2229","0.0006","16.9605","0.0012","104.483","0.005","97.859","0.005","108.605","0.003","1562.66","0.18","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 N4 Nb O -","- C32 H45 N4 Nb O -","- C64 H90 N8 Nb2 O2 -","2","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio","New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions","Organometallics","2012","31","5","1840","","10.1021/om201192w","","","0.71073","MoKα","","0.1958","0.0696","","","0.1099","0.1513","","","","","","0.883","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076419","29.609","0.003","15.5693","0.0014","16.6469","0.0015","90","","121.992","0.002","90","","6508.6","1.1","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H96 N8 Nb2 O2 -","- C64 H96 N8 Nb2 O2 -","- C256 H384 N32 Nb8 O8 -","4","0.5","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio","New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions","Organometallics","2012","31","5","1840","","10.1021/om201192w","","","0.71073","MoKα","","0.204","0.0787","","","0.1447","0.1936","","","","","","0.922","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076420","13.083","0.007","22.92","0.012","33.053","0.017","90","","90","","90","","9911","9","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C102 H140 N12 Nb2 -","- C102 H140 N12 Nb2 -","- C408 H560 N48 Nb8 -","4","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio","New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions","Organometallics","2012","31","5","1840","","10.1021/om201192w","","","0.71073","MoKα","","0.2854","0.0956","","","0.1639","0.2287","","","","","","0.921","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076421","12.043","0.008","10.885","0.009","21.822","0.019","90","","101.511","0.018","90","","2803","4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N O3 Ta -","- C26 H30 N O3 Ta -","- C104 H120 N4 O12 Ta4 -","4","1","","Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara","Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity","Organometallics","2012","31","5","1849","","10.1021/om201199p","","","0.71073","MoKα","","0.0631","0.0439","","","0.1155","0.125","","","","","","0.93","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076422","20.483","0.004","14.542","0.002","18.93","0.005","90","","90","","90","","5639","2","230","2","230","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C26 H27 F3 N O6 S Ta -","- C26 H27 F3 N O6 S Ta -","- C208 H216 F24 N8 O48 S8 Ta8 -","8","1","","Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara","Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity","Organometallics","2012","31","5","1849","","10.1021/om201199p","","","0.71073","MoKα","","0.1148","0.0567","","","0.1268","0.1466","","","","","","0.869","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076423","9.752","0.005","12.598","0.006","16.062","0.008","71.264","0.01","82.311","0.012","69.52","0.011","1750.1","1.5","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H38 F3 N2 O7 S Ta -","- C31 H38 F3 N2 O7 S Ta -","- C62 H76 F6 N4 O14 S2 Ta2 -","2","1","","Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara","Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity","Organometallics","2012","31","5","1849","","10.1021/om201199p","","","0.71073","MoKα","","0.0383","0.0327","","","0.0766","0.0803","","","","","","1.052","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076424","15.959","0.008","13.032","0.006","13.592","0.01","90","","122.39","0.011","90","","2387","2","230","2","230","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 B F N O3 -","- C14 H9 B F N O3 -","- C112 H72 B8 F8 N8 O24 -","8","1","","Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara","Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity","Organometallics","2012","31","5","1849","","10.1021/om201199p","","","0.71073","MoKα","","0.2482","0.0641","","","0.1006","0.1499","","","","","","0.908","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076425","34.714","0.003","17.3092","0.0014","20.5712","0.0017","90","","96.598","0.002","90","","12278.8","1.8","193","2","193","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H59 Cl F3 Ir O8 P4 Ru S -","- C58 H48 F3 Ir O7 P4 Ru S -","- C464 H384 F24 Ir8 O56 P32 Ru8 S8 -","8","1","","MacDougall, Tiffany J.; Samant, Rahul G.; Trepanier, Steven J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Geminal Carbon‒Hydrogen Bond Activation in Cumulenes Promoted by Adjacent Iridium/Ruthenium Centers","Organometallics","2012","31","5","1857","","10.1021/om201201h","","","0.71073","MoKα","","0.0669","0.0416","","","0.1005","0.1103","","","","","","1.003","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076426","18.5564","0.0013","15.2146","0.001","24.4022","0.0016","90","","90","","90","","6889.4","0.8","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C74 H78 F3 Ir O10.5 P4 Ru S -","- C60 H50 F3 Ir O7 P4 Ru S -","- C240 H200 F12 Ir4 O28 P16 Ru4 S4 -","4","0.5","","MacDougall, Tiffany J.; Samant, Rahul G.; Trepanier, Steven J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Geminal Carbon‒Hydrogen Bond Activation in Cumulenes Promoted by Adjacent Iridium/Ruthenium Centers","Organometallics","2012","31","5","1857","","10.1021/om201201h","","","0.71073","MoKα","","0.0664","0.0608","","","0.1354","0.1379","","","","","","1.131","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4076427","17.5797","0.0011","23.6325","0.0015","26.428","0.0017","90","","95.2753","0.0009","90","","10933.1","1.2","193","2","193","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C57.5 H47 Cl F3 Ir O7 P4 Ru S -","- C57.5 H47 Cl F3 Ir O7 P4 Ru S -","- C460 H376 Cl8 F24 Ir8 O56 P32 Ru8 S8 -","8","1","","MacDougall, Tiffany J.; Samant, Rahul G.; Trepanier, Steven J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Geminal Carbon‒Hydrogen Bond Activation in Cumulenes Promoted by Adjacent Iridium/Ruthenium Centers","Organometallics","2012","31","5","1857","","10.1021/om201201h","","","0.71073","MoKα","","0.0439","0.0303","","","0.0771","0.0911","","","","","","1.122","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076428","12.247","0.005","18.471","0.005","18.353","0.005","90","","103.398","0.005","90","","4039","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2a","","","- C42 H58 Ca N4 O2 -","- C42 H58 Ca N4 O2 -","- C168 H232 Ca4 N16 O8 -","4","1","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71069","MoKα","","0.1118","0.0709","","","0.1493","0.1787","","","","","","1.073","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076429","9.464","0.005","12.651","0.005","13.61","0.005","91.323","0.005","93.428","0.005","104.213","0.005","1575.6","1.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","2b","","","- C34 H42 Ca N4 O2 -","- C34 H42 Ca N4 O2 -","- C68 H84 Ca2 N8 O4 -","2","1","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71069","MoKα","","0.1707","0.08","","","0.1711","0.2305","","","","","","1.026","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076430","10.6913","0.0009","15.342","0.0011","22.2988","0.0017","90","","96.069","0.004","90","","3637.1","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4a","","","- C31 H55 Ca N3 O2 Si2 -","- C31 H55 Ca N3 O2 Si2 -","- C124 H220 Ca4 N12 O8 Si8 -","4","1","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71075","MoKα","","0.1008","0.0625","","","0.1303","0.1503","","","","","","1.061","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076431","10.69","0.005","10.69","0.005","38.51","0.005","90","","90","","90","","4401","3","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","5a","","","- C46 H66 N4 O3 Sr -","- C46 H66 N4 O3 Sr -","- C184 H264 N16 O12 Sr4 -","4","0.5","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71069","MoKα","","0.0718","0.0552","","","0.0904","0.0955","","","","","","1.037","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076432","10.708","0.005","10.708","0.005","39.197","0.005","90","","90","","90","","4494","3","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","6a","","","- C46 H66 Ba N4 O3 -","- C46 H66 Ba N4 O3 -","- C184 H264 Ba4 N16 O12 -","4","0.5","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71069","MoKα","","0.0865","0.0689","","","0.1076","0.1136","","","","","","1.016","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076433","11.676","0.005","21.378","0.005","17.882","0.005","90","","127.853","0.017","90","","3524","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7a","","","- C38 H50 Mg N4 O -","- C38 H50 Mg N4 O -","- C152 H200 Mg4 N16 O4 -","4","1","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71069","MoKα","","0.1047","0.0793","","","0.1519","0.1654","","","","","","1.052","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076434","11.596","0.005","10.053","0.005","16.721","0.005","90","","127.922","0.018","90","","1537.7","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7b","","","- C34 H42 Mg N4 O2 -","- C34 H42 Mg N4 O2 -","- C68 H84 Mg2 N8 O4 -","2","0.5","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71069","MoKα","","0.059","0.0536","","","0.1463","0.1518","","","","","","1.057","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076435","12.1498","0.0003","17.4739","0.0004","18.4022","0.0005","90","","100.35","0.002","90","","3843.3","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H56 Cl2 Fe N4 O -","- C39 H56 Cl2 Fe N4 O -","- C156 H224 Cl8 Fe4 N16 O4 -","4","2","","E Stieber, S Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R; Finkelstein, Kenneth D.; Wieghardt, Karl; Debeer, Serena; Chirik, Paul J.","Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives.","Organometallics","2012","31","6","2275","2285","10.1021/om201212m","","","1.54178","CuKα","","0.0408","0.0381","","","0.0941","0.0955","","","","","","1.066","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076436","20.948","0.003","17.985","0.003","21.125","0.003","90","","109.535","0.002","90","","7501","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Cl4 F6 Fe2 N6 O -","- C72 H94 Cl4 F6 Fe2 N6 O -","- C288 H376 Cl16 F24 Fe8 N24 O4 -","4","1","","E Stieber, S Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R; Finkelstein, Kenneth D.; Wieghardt, Karl; Debeer, Serena; Chirik, Paul J.","Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives.","Organometallics","2012","31","6","2275","2285","10.1021/om201212m","","","0.71073","MoKα","","0.0962","0.0565","","","0.1282","0.1468","","","","","","1.053","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076437","10.5183","0.0002","17.8814","0.0003","21.2857","0.0004","90","","100.397","0.001","90","","3937.72","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H58 Fe N4 O3 -","- C41 H58 Fe N4 O3 -","- C164 H232 Fe4 N16 O12 -","4","1","","E Stieber, S Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R; Finkelstein, Kenneth D.; Wieghardt, Karl; Debeer, Serena; Chirik, Paul J.","Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives.","Organometallics","2012","31","6","2275","2285","10.1021/om201212m","","","1.54178","CuKα","","0.0374","0.0318","","","0.0747","0.0798","","","","","","0.673","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076438","12.4483","0.0001","13.0656","0.0001","24.0716","0.0003","99.752","0.001","94.988","0.001","100.861","0.001","3760.74","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H51 Fe N7 -","- C37 H51 Fe N7 -","- C148 H204 Fe4 N28 -","4","2","","E Stieber, S Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R; Finkelstein, Kenneth D.; Wieghardt, Karl; Debeer, Serena; Chirik, Paul J.","Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives.","Organometallics","2012","31","6","2275","2285","10.1021/om201212m","","","1.54178","CuKα","","0.0417","0.0358","","","0.1058","0.1143","","","","","","0.52","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076439","10.5545","0.0003","17.864","0.0005","21.5286","0.0006","90","","100.644","0.002","90","","3989.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 Fe N8 O -","- C39 H58 Fe N8 O -","- C156 H232 Fe4 N32 O4 -","4","1","","E Stieber, S Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R; Finkelstein, Kenneth D.; Wieghardt, Karl; Debeer, Serena; Chirik, Paul J.","Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives.","Organometallics","2012","31","6","2275","2285","10.1021/om201212m","","","0.71073","MoKα","","0.0733","0.0434","","","0.104","0.1232","","","","","","1.047","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076440","10.5127","0.0005","11.6941","0.0006","11.9926","0.0006","90","","103.854","0.0009","90","","1431.44","0.12","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl2 Ir2 O2 P4 -","- C20 H44 Cl2 Ir2 O2 P4 -","- C40 H88 Cl4 Ir4 O4 P8 -","2","0.5","","Slaney, Michael E.; Anderson, D. Jason; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2, Rh2, and IrRh: Geminal C‒H Activation of α-Olefins","Organometallics","2012","31","6","2286","","10.1021/om201214z","","","0.71073","MoKα","","0.0271","0.0265","","","0.0721","0.0725","","","","","","1.226","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076441","10.6784","0.0007","12.5837","0.0009","14.9169","0.001","111.404","0.001","96.2866","0.0011","107.84","0.0011","1720.2","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H47 F3 Ir2 O6 P4 S -","- C23 H47 F3 Ir2 O6 P4 S -","- C46 H94 F6 Ir4 O12 P8 S2 -","2","1","","Slaney, Michael E.; Anderson, D. Jason; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2, Rh2, and IrRh: Geminal C‒H Activation of α-Olefins","Organometallics","2012","31","6","2286","","10.1021/om201214z","","","0.71073","MoKα","","0.0374","0.0308","","","0.0776","0.0811","","","","","","1.05","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076442","10.4972","0.0006","11.6908","0.0006","12.0101","0.0007","90","","103.795","0.001","90","","1431.37","0.14","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl2 O2 P4 Rh2 -","- C20 H44 Cl2 O2 P4 Rh2 -","- C40 H88 Cl4 O4 P8 Rh4 -","2","0.5","","Slaney, Michael E.; Anderson, D. Jason; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2, Rh2, and IrRh: Geminal C‒H Activation of α-Olefins","Organometallics","2012","31","6","2286","","10.1021/om201214z","","","0.71073","MoKα","","0.0247","0.0231","","","0.06","0.0608","","","","","","1.139","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076443","14.9379","0.0005","14.7561","0.0005","30.2835","0.0011","90","","103.427","0.0005","90","","6492.8","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H58 B Cl F24 O3 P4 Rh2 -","- C53.5 H58 B Cl F24 O3 P4 Rh2 -","- C214 H232 B4 Cl4 F96 O12 P16 Rh8 -","4","1","","Slaney, Michael E.; Anderson, D. Jason; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2, Rh2, and IrRh: Geminal C‒H Activation of α-Olefins","Organometallics","2012","31","6","2286","","10.1021/om201214z","","","0.71073","MoKα","","0.0459","0.0377","","","0.0944","0.1013","","","","","","1.029","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076444","9.5764","0.0006","21.346","0.0014","10.0396","0.0006","90","","108.081","0.001","90","","1950.9","0.2","193","2","193","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C25 H44 F6 O11 P4 Rh2 S2 -","- C25 H44 F6 O11 P4 Rh2 S2 -","- C50 H88 F12 O22 P8 Rh4 S4 -","2","0.5","","Slaney, Michael E.; Anderson, D. Jason; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2, Rh2, and IrRh: Geminal C‒H Activation of α-Olefins","Organometallics","2012","31","6","2286","","10.1021/om201214z","","","0.71073","MoKα","","0.0242","0.0225","","","0.0611","0.0625","","","","","","1.04","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076445","8.0072","0.0012","18.318","0.003","23.367","0.004","90","","90.877","0.002","90","","3427","1","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 F3 Ir O6 P4 Rh S -","- C23 H47 F3 Ir O6 P4 Rh S -","- C92 H188 F12 Ir4 O24 P16 Rh4 S4 -","4","1","","Slaney, Michael E.; Anderson, D. Jason; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2, Rh2, and IrRh: Geminal C‒H Activation of α-Olefins","Organometallics","2012","31","6","2286","","10.1021/om201214z","","","0.71073","MoKα","","0.059","0.0526","","","0.1306","0.1334","","","","","","1.182","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076446","13.617","0.0005","8.7826","0.0003","16.3065","0.0005","90","","90","","90","","1950.14","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","ser0135","ser0135","","- C19 H25 Cl2 Ir N2 -","- C19 H25 Cl2 Ir N2 -","- C76 H100 Cl8 Ir4 N8 -","4","1","","Meredith, Joseph M.; Robinson, Robert; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","C‒H Bond Activation by Cationic Iridium(III) NHC Complexes: A Combined Experimental and Computational Study","Organometallics","2012","31","5","1879","","10.1021/om2012166","","","0.71073","MoKα","","0.0473","0.0395","","","0.0755","0.0781","","","","","","1.074","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076447","9.1974","0.0002","15.1196","0.0004","24.5587","0.0008","90","","90","","90","","3415.16","0.16","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","JMM02047","JMM02047","","- C17 H29 Ir N2 -","- C17 H29 Ir N2 -","- C136 H232 Ir8 N16 -","8","1","","Meredith, Joseph M.; Robinson, Robert; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","C‒H Bond Activation by Cationic Iridium(III) NHC Complexes: A Combined Experimental and Computational Study","Organometallics","2012","31","5","1879","","10.1021/om2012166","","","0.71073","MoKα","","0.0967","0.0371","","","0.0799","0.0984","","","","","","0.89","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076448","9.0264","0.0003","12.1669","0.0005","16.8721","0.0006","90","","90","","90","","1852.95","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","JMM02053","JMM02053","","- C19 H33 Ir N2 -","- C19 H33 Ir N2 -","- C76 H132 Ir4 N8 -","4","1","","Meredith, Joseph M.; Robinson, Robert; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","C‒H Bond Activation by Cationic Iridium(III) NHC Complexes: A Combined Experimental and Computational Study","Organometallics","2012","31","5","1879","","10.1021/om2012166","","","0.71073","MoKα","","0.0438","0.0425","","","0.1129","0.1139","","","","","","1.057","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076449","12.1212","0.0004","12.4125","0.0007","13.5343","0.0007","64.004","0.002","68.406","0.002","72.179","0.0017","1676.1","0.14","130","2","130","2","","","","","","","","7","P -1","-P 1","2","JMM02053","JMM02053","","- C68 H52 B2 Cl2 F30 Ir2 N4 -","- C68 H52 B2 Cl2 F30 Ir2 N4 -","- C68 H52 B2 Cl2 F30 Ir2 N4 -","1","0.5","","Meredith, Joseph M.; Robinson, Robert; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","C‒H Bond Activation by Cationic Iridium(III) NHC Complexes: A Combined Experimental and Computational Study","Organometallics","2012","31","5","1879","","10.1021/om2012166","","","0.71073","MoKα","","0.045","0.0361","","","0.079","0.0817","","","","","","0.995","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076450","9.8163","0.0009","11.2358","0.0012","14.9169","0.0014","95.707","0.008","97.126","0.008","113.675","0.009","1474.8","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 Cl6 Fe4 P2 Pd -","- C66 H58 Cl6 Fe4 P2 Pd -","- C66 H58 Cl6 Fe4 P2 Pd -","1","0.5","","Lohan, Manja; Milde, Bianca; Heider, Silvio; Speck, J. Matthäus; Krauße, Sabrina; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Synthesis, Electrochemistry, Spectroelectrochemistry, and Solid-State Structures of Palladium Biferrocenylphosphines and Their Use in C,C Cross-Coupling Reactions","Organometallics","2012","31","6","2310","","10.1021/om201220w","","","0.71073","MoKα","","0.0412","0.0283","","","0.0661","0.0699","","","","","","0.993","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076451","10.7582","0.0004","15.1506","0.0005","26.4251","0.0009","103.956","0.003","92.056","0.003","103.99","0.003","4035.6","0.3","105","","105","","","","","","","","","7","P -1","-P 1","2","","","","- C57.33333 H47.33333 Cl5.33333 Fe4 O4 P2 Pd -","- C57.3333 H47.3333 Cl5.33333 Fe4 O4 P2 Pd -","- C172 H142 Cl16 Fe12 O12 P6 Pd3 -","3","1.5","","Lohan, Manja; Milde, Bianca; Heider, Silvio; Speck, J. Matthäus; Krauße, Sabrina; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Synthesis, Electrochemistry, Spectroelectrochemistry, and Solid-State Structures of Palladium Biferrocenylphosphines and Their Use in C,C Cross-Coupling Reactions","Organometallics","2012","31","6","2310","","10.1021/om201220w","","","0.71073","MoKα","","0.1026","0.0689","","","0.1981","0.2079","","","","","","1.08","","","","has coordinates","264242","2021-04-16","08:50:44",""
"4076452","8.1138","0.0004","9.262","0.0003","13.9761","0.0006","91.239","0.003","92.001","0.004","108.578","0.004","994.37","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Fe2 P2 Se2 -","- C44 H60 Fe2 P2 Se2 -","- C44 H60 Fe2 P2 Se2 -","1","0.5","","Lohan, Manja; Milde, Bianca; Heider, Silvio; Speck, J. Matthäus; Krauße, Sabrina; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Synthesis, Electrochemistry, Spectroelectrochemistry, and Solid-State Structures of Palladium Biferrocenylphosphines and Their Use in C,C Cross-Coupling Reactions","Organometallics","2012","31","6","2310","","10.1021/om201220w","","","0.71073","MoKα","","0.0337","0.0258","","","0.0577","0.0587","","","","","","0.947","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076453","12.0722","0.0007","7.4578","0.0005","15.2042","0.001","90","","92.184","0.005","90","","1367.87","0.15","105","","105","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 Fe2 P Se -","- C34 H31 Fe2 P Se -","- C68 H62 Fe4 P2 Se2 -","2","1","","Lohan, Manja; Milde, Bianca; Heider, Silvio; Speck, J. Matthäus; Krauße, Sabrina; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Synthesis, Electrochemistry, Spectroelectrochemistry, and Solid-State Structures of Palladium Biferrocenylphosphines and Their Use in C,C Cross-Coupling Reactions","Organometallics","2012","31","6","2310","","10.1021/om201220w","","","1.54184","CuKα","","0.0451","0.0441","","","0.1163","0.1172","","","","","","1.045","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076454","15.7202","0.0005","11.3121","0.0004","14.716","0.0004","90","","115.506","0.004","90","","2361.88","0.15","105","","105","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Fe2 O2 P Se -","- C28 H23 Fe2 O2 P Se -","- C112 H92 Fe8 O8 P4 Se4 -","4","1","","Lohan, Manja; Milde, Bianca; Heider, Silvio; Speck, J. Matthäus; Krauße, Sabrina; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Synthesis, Electrochemistry, Spectroelectrochemistry, and Solid-State Structures of Palladium Biferrocenylphosphines and Their Use in C,C Cross-Coupling Reactions","Organometallics","2012","31","6","2310","","10.1021/om201220w","","","1.54184","CuKα","","0.0484","0.0384","","","0.1056","0.1221","","","","","","1.104","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076455","11.3208","0.0006","12.0687","0.0008","12.5154","0.0005","66.35","0.004","78.506","0.004","62.778","0.004","1392.59","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H47 B9 N O3 Re -","- C18 H47 B9 N O3 Re -","- C36 H94 B18 N2 O6 Re2 -","2","1","","Pichaandi, Kothanda Rama; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Trioxorhena(VII)carborane Anion and Its Methyl-Substituted Analogue: Synthesis, Structure, DFT, and Catalytic Studies","Organometallics","2012","31","5","1888","","10.1021/om201222r","","","1.54178","CuKα","","0.0502","0.0497","","","0.1375","0.1383","","","","","","1.114","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076456","15.6225","0.0004","7.4327","0.0002","28.7002","0.001","90","","95.433","0.003","90","","3317.62","0.17","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 B9 O3 P Re -","- C31 H35 B9 O3 P Re -","- C124 H140 B36 O12 P4 Re4 -","4","1","","Pichaandi, Kothanda Rama; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Trioxorhena(VII)carborane Anion and Its Methyl-Substituted Analogue: Synthesis, Structure, DFT, and Catalytic Studies","Organometallics","2012","31","5","1888","","10.1021/om201222r","","","1.54184","CU-Kα","","0.04","0.039","","","0.109","0.111","","","","","","1.101","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4076457","14.3733","0.001","11.3361","0.0007","19.5318","0.0014","90","","95.052","0.005","90","","3170.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H51 B9 N O3 Re -","- C20 H51 B9 N O3 Re -","- C80 H204 B36 N4 O12 Re4 -","4","1","","Pichaandi, Kothanda Rama; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Trioxorhena(VII)carborane Anion and Its Methyl-Substituted Analogue: Synthesis, Structure, DFT, and Catalytic Studies","Organometallics","2012","31","5","1888","","10.1021/om201222r","","","1.54184","CU-Kα","","0.078","0.063","","","0.194","0.213","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4076458","12.4708","0.0007","17.0967","0.0009","20.1778","0.0011","73.914","0.001","81.31","0.001","88.824","0.001","4085.2","0.4","168","2","168","2","","","","","","","","9","P -1","-P 1","2","","","","- C147 H180 B4 Br2 Cl6 F48 N4 P4 Pt2 -","- C147 H180 B4 Br2 Cl6 F48 N4 P4 Pt2 -","- C147 H180 B4 Br2 Cl6 F48 N4 P4 Pt2 -","1","0.5","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.047","0.038","","","0.0947","0.0985","","","","","","1.027","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076459","13.915","0.008","27.088","0.012","16.082","0.01","90","","94.89","0.05","90","","6040","6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H85 B7 Br Cl8 N2 P2 Pt -","- C48 H85 B7 Br Cl8 N2 P2 Pt -","- C192 H340 B28 Br4 Cl32 N8 P8 Pt4 -","4","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.0413","0.0348","","","0.0875","0.0908","","","","","","1.055","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076460","13.159","0.005","14.312","0.007","17.024","0.01","96.77","0.04","107.58","0.04","96.37","0.05","2999","3","174","2","174","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H192 B4 Br8 P4 Pt4 -","- C109 H192 B4 Br8 P4 Pt4 -","- C109 H192 B4 Br8 P4 Pt4 -","1","0.5","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.0292","0.0226","","","0.054","0.0569","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4076461","13.945","0.0007","14.6747","0.0008","16.4135","0.0009","94.617","0.001","109.732","0.001","110.204","0.001","2892.3","0.3","169","2","169","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H81 B2 Br5 Cl4 P2 Pt -","- C47 H81 B2 Br5 Cl4 P2 Pt -","- C94 H162 B4 Br10 Cl8 P4 Pt2 -","2","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.0322","0.0267","","","0.0633","0.0655","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076462","13.3776","0.0009","15.0149","0.001","19.6791","0.0013","105.67","0.003","101.086","0.003","98.557","0.003","3649.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C137 H158 B4 Cl6 F48 P4 Pt2 -","- C137 H158 B4 Cl6 F48 P4 Pt2 -","- C137 H158 B4 Cl6 F48 P4 Pt2 -","1","0.5","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.0257","0.0233","","","0.0557","0.0572","","","","","","1.035","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076463","9.812","0.002","9.835","0.002","23.552","0.005","86.581","0.004","80.101","0.004","60.653","0.003","1950.8","0.7","171","2","171","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H66 B Cl3 P2 Pt -","- C36 H66 B Cl3 P2 Pt -","- C72 H132 B2 Cl6 P4 Pt2 -","2","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.0359","0.0305","","","0.062","0.0637","","","","","","1.146","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076464","8.5083","0.0011","10.4735","0.0014","20.746","0.003","104.504","0.006","95.605","0.005","98.582","0.005","1752.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H110 B2 Br4 Fe2 P4 Pt2 -","- C63 H110 B2 Br4 Fe2 P4 Pt2 -","- C63 H110 B2 Br4 Fe2 P4 Pt2 -","1","0.5","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.0184","0.0172","","","0.0433","0.044","","","","","","1.111","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076465","15.0677","0.0018","17.262","0.002","24.847","0.003","90","","90","","90","","6462.7","1.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60 H63 B2 Br F24 Fe P2 Pt -","- C60 H63 B2 Br F24 Fe P2 Pt -","- C240 H252 B8 Br4 F96 Fe4 P8 Pt4 -","4","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.0212","0.0182","","","0.0378","0.0383","","","","","","1.035","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076466","12.3046","0.0005","11.8986","0.0005","16.7732","0.0007","90","","102.448","0.004","90","","2397.99","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 Al B Cl4 O2 P -","- C18 H31 Al B Cl4 O2 P -","- C72 H124 Al4 B4 Cl16 O8 P4 -","4","1","","Solomon, S. A.; Del Grosso, A.; Clark, E. R.; Bagutski, V.; McDouall, J. J. W.; Ingleson, M. J.","Reactivity of Lewis Acid Activated Diaza- and Dithiaboroles in Electrophilic Arene Borylation","Organometallics","2012","31","5","1908","","10.1021/om201228e","","","0.71073","MoKα","","0.0644","0.0441","","","0.1093","0.1135","","","","","","0.992","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076467","31.816","0.007","7.2892","0.0007","23.376","0.005","90","","128.66","0.03","90","","4233","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 B N2 -","- C26 H35 B N2 -","- C208 H280 B8 N16 -","8","1","","Solomon, S. A.; Del Grosso, A.; Clark, E. R.; Bagutski, V.; McDouall, J. J. W.; Ingleson, M. J.","Reactivity of Lewis Acid Activated Diaza- and Dithiaboroles in Electrophilic Arene Borylation","Organometallics","2012","31","5","1908","","10.1021/om201228e","","","0.71073","MoKα","","0.108","0.0643","","","0.128","0.1473","","","","","","1.142","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076468","16.6006","0.0017","7.8289","0.0008","32.897","0.003","90","","93.409","0.004","90","","4267.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 N2 Ni P2 S -","- C16 H38 N2 Ni P2 S -","- C128 H304 N16 Ni8 P16 S8 -","8","2","","Sgro, Michael J.; Stephan, Douglas W.","Oxidative Addition Reactions of Bis-Aminophosphine and Bis-Phosphinite Nickel(0) Pincer Complexes","Organometallics","2012","31","5","1584","","10.1021/om201229x","","","0.71073","MoKα","","0.0835","0.0442","","","0.0803","0.0919","","","","","","0.994","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076469","9.9317","0.0005","14.2119","0.0008","14.9303","0.0007","90","","98.084","0.001","90","","2086.45","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Ni O2 P2 S -","- C16 H36 Ni O2 P2 S -","- C64 H144 Ni4 O8 P8 S4 -","4","1","","Sgro, Michael J.; Stephan, Douglas W.","Oxidative Addition Reactions of Bis-Aminophosphine and Bis-Phosphinite Nickel(0) Pincer Complexes","Organometallics","2012","31","5","1584","","10.1021/om201229x","","","0.71073","MoKα","","0.0339","0.0265","","","0.064","0.0675","","","","","","1.028","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076470","10.202","0.0009","10.549","0.0009","12.3641","0.001","85.328","0.003","67.887","0.002","89.813","0.002","1228.12","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 F6 N3 Ni P3 -","- C16 H40 F6 N3 Ni P3 -","- C32 H80 F12 N6 Ni2 P6 -","2","1","","Sgro, Michael J.; Stephan, Douglas W.","Oxidative Addition Reactions of Bis-Aminophosphine and Bis-Phosphinite Nickel(0) Pincer Complexes","Organometallics","2012","31","5","1584","","10.1021/om201229x","","","0.71073","MoKα","","0.0482","0.0352","","","0.0858","0.092","","","","","","1.048","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076471","8.5536","0.001","31.097","0.004","10.3432","0.0011","90","","108.957","0.006","90","","2602","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Cl F N3 Ni P2 -","- C22 H42 Cl F N3 Ni P2 -","- C88 H168 Cl4 F4 N12 Ni4 P8 -","4","1","","Sgro, Michael J.; Stephan, Douglas W.","Oxidative Addition Reactions of Bis-Aminophosphine and Bis-Phosphinite Nickel(0) Pincer Complexes","Organometallics","2012","31","5","1584","","10.1021/om201229x","","","0.71073","MoKα","","0.1163","0.0621","","","0.1423","0.1681","","","","","","1.024","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076472","17.2227","0.0007","18.3649","0.0007","11.4794","0.0005","90","","103.965","0.0014","90","","3523.5","0.3","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C38 H55 N Ru3 -","- C38 H40 N Ru3 -","- C152 H160 N4 Ru12 -","4","0.5","","Kanda, Hideyuki; Kawashima, Takashi; Takao, Toshiro; Suzuki, Hiroharu","Reactions of a Triruthenium Pentahydrido Complex with Imines Leading to the Formation of a Perpendicularly Coordinated Iminoacyl Ligand and the Scission of a C═N Bond on a Triruthenium Plane","Organometallics","2012","31","5","1917","","10.1021/om201230u","","","0.71069","MoKα","","0.0579","0.036","","","0.0699","0.0805","","","","","","1.036","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076473","11.6961","0.0002","13.9855","0.0003","33.1265","0.0006","90","","90.1577","0.0007","90","","5418.67","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 B N Ru3 -","- C62 H76 B N Ru3 -","- C248 H304 B4 N4 Ru12 -","4","1","","Kanda, Hideyuki; Kawashima, Takashi; Takao, Toshiro; Suzuki, Hiroharu","Reactions of a Triruthenium Pentahydrido Complex with Imines Leading to the Formation of a Perpendicularly Coordinated Iminoacyl Ligand and the Scission of a C═N Bond on a Triruthenium Plane","Organometallics","2012","31","5","1917","","10.1021/om201230u","","","0.71069","MoKα","","0.0217","0.02","","","0.0488","0.0497","","","","","","1.046","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076474","10.7482","0.00019","39.424","0.0007","19.0321","0.0004","90","","91.272","0.0007","90","","8062.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 F3 N Ru3 -","- C44 H56 F3 N Ru3 -","- C352 H448 F24 N8 Ru24 -","8","2","","Kanda, Hideyuki; Kawashima, Takashi; Takao, Toshiro; Suzuki, Hiroharu","Reactions of a Triruthenium Pentahydrido Complex with Imines Leading to the Formation of a Perpendicularly Coordinated Iminoacyl Ligand and the Scission of a C═N Bond on a Triruthenium Plane","Organometallics","2012","31","5","1917","","10.1021/om201230u","","","0.71069","MoKα","","0.0376","0.0291","","","0.0659","0.0699","","","","","","1.034","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076475","17.564","0.0009","18.2158","0.001","11.1919","0.0007","90","","103.173","0.0018","90","","3486.5","0.3","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C37 H53 N Ru3 -","- C37 H53 N Ru3 -","- C148 H212 N4 Ru12 -","4","0.5","","Kanda, Hideyuki; Kawashima, Takashi; Takao, Toshiro; Suzuki, Hiroharu","Reactions of a Triruthenium Pentahydrido Complex with Imines Leading to the Formation of a Perpendicularly Coordinated Iminoacyl Ligand and the Scission of a C═N Bond on a Triruthenium Plane","Organometallics","2012","31","5","1917","","10.1021/om201230u","","","0.71069","MoKα","","0.038","0.0303","","","0.0698","0.0736","","","","","","1.068","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076476","11.0247","0.0006","11.0361","0.0007","14.8713","0.0009","106.4","0.0016","95.224","0.0016","113.981","0.0014","1541.6","0.16","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H49 N Ru3 -","- C32 H30 N Ru3 -","- C64 H60 N2 Ru6 -","2","1","","Kanda, Hideyuki; Kawashima, Takashi; Takao, Toshiro; Suzuki, Hiroharu","Reactions of a Triruthenium Pentahydrido Complex with Imines Leading to the Formation of a Perpendicularly Coordinated Iminoacyl Ligand and the Scission of a C═N Bond on a Triruthenium Plane","Organometallics","2012","31","5","1917","","10.1021/om201230u","","","0.71069","MoKα","","0.1164","0.064","","","0.1393","0.1832","","","","","","1.159","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076477","15.3988","0.0009","8.198","0.0004","16.2972","0.001","90","","90","","90","","2057.3","0.2","291","2","291","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","0.5","","Braun, Markus; Frank, Walter; Ganter, Christian","Reactivity of an Oxalamide-Based N-Heterocyclic Carbene","Organometallics","2012","31","5","1927","","10.1021/om201235c","","","0.71073","MoKα","","0.065","0.0482","","","0.1543","0.161","","","","","","1.067","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076478","11.2248","0.0005","32.4746","0.0018","11.1989","0.0005","90","","90","","90","","4082.2","0.3","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H22 N2 O2 Se -","- C21 H22 N2 O2 Se -","- C168 H176 N16 O16 Se8 -","8","0.5","","Braun, Markus; Frank, Walter; Ganter, Christian","Reactivity of an Oxalamide-Based N-Heterocyclic Carbene","Organometallics","2012","31","5","1927","","10.1021/om201235c","","","0.71073","MoKα","","0.0367","0.0296","","","0.0632","0.0645","","","","","","1.048","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076479","13.0623","0.0004","16.4429","0.0005","19.0786","0.0007","90","","90","","90","","4097.7","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 Cl2 N4 O5 -","- C43 H48 Cl2 N4 O5 -","- C172 H192 Cl8 N16 O20 -","4","1","","Braun, Markus; Frank, Walter; Ganter, Christian","Reactivity of an Oxalamide-Based N-Heterocyclic Carbene","Organometallics","2012","31","5","1927","","10.1021/om201235c","","","0.71073","MoKα","","0.0779","0.0691","","","0.1297","0.1328","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076480","11.3659","0.0007","15.1471","0.0006","15.9812","0.001","90","","98.205","0.007","90","","2723.2","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl N2 O2 Rh -","- C29 H34 Cl N2 O2 Rh -","- C116 H136 Cl4 N8 O8 Rh4 -","4","1","","Braun, Markus; Frank, Walter; Ganter, Christian","Reactivity of an Oxalamide-Based N-Heterocyclic Carbene","Organometallics","2012","31","5","1927","","10.1021/om201235c","","","0.71073","MoKα","","0.0484","0.0338","","","0.0785","0.0878","","","","","","1.002","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076481","8.3096","0.0009","12.7502","0.0014","20.107","0.002","90","","99.447","0.002","90","","2101.4","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Li-1","[Rh(bdmpza)Cl3]Li.H2O","","- C16 H25 Cl3 Li N4 O4 Rh -","- C16 H25 Cl3 Li N4 O4 Rh -","- C64 H100 Cl12 Li4 N16 O16 Rh4 -","4","1","","Rhinehart, Jennifer L.; Manbeck, Kimberly A.; Buzak, Sara K.; Lippa, Geoffrey M.; Brennessel, William W.; Goldberg, Karen I.; Jones, William D.","Catalytic Arene H/D Exchange with Novel Rhodium and Iridium Complexes","Organometallics","2012","31","5","1943","","10.1021/om2012419","","","0.71073","MoKα","","0.1041","0.0576","","","0.0856","0.097","","","","","","1.034","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076482","10.402","0.008","12.261","0.01","19.677","0.015","90","","100.66","0.011","90","","2466","3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Et4N-1","[Rh(bdmpza)Cl3]Et4N","","- C20 H35 Cl3 N5 O2 Rh -","- C20 H35 Cl3 N5 O2 Rh -","- C80 H140 Cl12 N20 O8 Rh4 -","4","1","","Rhinehart, Jennifer L.; Manbeck, Kimberly A.; Buzak, Sara K.; Lippa, Geoffrey M.; Brennessel, William W.; Goldberg, Karen I.; Jones, William D.","Catalytic Arene H/D Exchange with Novel Rhodium and Iridium Complexes","Organometallics","2012","31","5","1943","","10.1021/om2012419","","","0.71073","MoKα","","0.2489","0.1326","","","0.2673","0.3113","","","","","","1.219","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076483","8.5743","0.001","14.2503","0.0017","13.7914","0.0016","90","","90","","90","","1685.1","0.3","100","0.1","100","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","Na-2","[Ir(bdmpza)Cl3]Na","","- C12 H15 Cl3 Ir N4 Na O2 -","- C12 H15 Cl3 Ir N4 Na O2 -","- C48 H60 Cl12 Ir4 N16 Na4 O8 -","4","0.5","","Rhinehart, Jennifer L.; Manbeck, Kimberly A.; Buzak, Sara K.; Lippa, Geoffrey M.; Brennessel, William W.; Goldberg, Karen I.; Jones, William D.","Catalytic Arene H/D Exchange with Novel Rhodium and Iridium Complexes","Organometallics","2012","31","5","1943","","10.1021/om2012419","","","0.71073","MoKα","","0.0744","0.041","","","0.0904","0.1023","","","","","","1.025","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076484","11.8837","0.0013","13.549","0.0015","12.5024","0.0014","90","","103.821","0.002","90","","1954.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3a","Rh(bdmpza)Cl2(py)","","- C17 H20 Cl2 N5 O2 Rh -","- C17 H20 Cl2 N5 O2 Rh -","- C68 H80 Cl8 N20 O8 Rh4 -","4","1","","Rhinehart, Jennifer L.; Manbeck, Kimberly A.; Buzak, Sara K.; Lippa, Geoffrey M.; Brennessel, William W.; Goldberg, Karen I.; Jones, William D.","Catalytic Arene H/D Exchange with Novel Rhodium and Iridium Complexes","Organometallics","2012","31","5","1943","","10.1021/om2012419","","","0.71073","MoKα","","0.0769","0.0438","","","0.0981","0.1114","","","","","","1.022","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076485","20.972","0.003","20.972","0.003","15.313","0.004","90","","90","","90","","6735","2","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C34 H28 Br4 Mn4 N8 O14 -","- C34.0016 H28 Br4.0016 Mn4 N8 O14.0016 -","- C136.006 H112 Br16.0064 Mn16 N32 O56.0064 -","4","0.25","","Karthikeyan, S.; Velavan, K.; Sathishkumar, Ranganathan; Varghese, Babu; Manimaran, Bala.","Self-Assembly of Manganese(I)-Based Molecular Squares: Synthesis and Spectroscopic and Structural Characterization","Organometallics","2012","31","5","1953","","10.1021/om201244a","","","0.71073","MoKα","","0.1518","0.0763","","","0.1667","0.1942","","","","","","0.928","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076486","15.4691","0.0007","15.4691","0.0007","27.759","0.003","90","","90","","90","","6642.5","0.8","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C58 H44 Br4 Mn4 N8 O14 -","- C57.996 H32 Br4 Mn4 N8 O14 -","- C231.984 H128 Br16 Mn16 N32 O56 -","4","0.25","","Karthikeyan, S.; Velavan, K.; Sathishkumar, Ranganathan; Varghese, Babu; Manimaran, Bala.","Self-Assembly of Manganese(I)-Based Molecular Squares: Synthesis and Spectroscopic and Structural Characterization","Organometallics","2012","31","5","1953","","10.1021/om201244a","","","0.71073","MoKα","","0.0674","0.0555","","","0.146","0.1523","","","","","","1.178","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076487","18.4395","0.0005","18.7543","0.0006","21.2127","0.0007","107.827","0.003","113.792","0.003","91.08","0.002","6304.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","LGeN(H)Ar","","","- C33 H47 Ge N3 -","- C33 H47 Ge N3 -","- C264 H376 Ge8 N24 -","8","4","","Yang, Ying; Zhao, Na; Zhu, Hongping; Roesky, Herbert W.","Syntheses and Reactions of Derivatives of (Pyrrolylaldiminato)germanium(II) and -Aluminum(III)","Organometallics","2012","31","5","1958","","10.1021/om201252k","","","1.54178","CuKα","","0.0746","0.0601","","","0.1788","0.2148","","","","","","1.148","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076488","20.471","0.004","10.096","0.002","11.032","0.002","90","","90","","90","","2280","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","LAlMe(Cl)","","","- C22 H32 Al Cl N2 -","- C22 H32 Al Cl N2 -","- C88 H128 Al4 Cl4 N8 -","4","1","","Yang, Ying; Zhao, Na; Zhu, Hongping; Roesky, Herbert W.","Syntheses and Reactions of Derivatives of (Pyrrolylaldiminato)germanium(II) and -Aluminum(III)","Organometallics","2012","31","5","1958","","10.1021/om201252k","","","0.71073","MoKα","","0.0466","0.037","","","0.0968","0.1057","","","","","","1.077","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076489","14.375","0.004","12.78","0.004","26.191","0.008","90","","93.457","0.006","90","","4803","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LH.AlMe2Cl","","","- C22.75 H35.25 Al Cl1.25 N2 -","- C22.788 H35.364 Al Cl1.212 N2 -","- C182.304 H282.912 Al8 Cl9.696 N16 -","8","2","","Yang, Ying; Zhao, Na; Zhu, Hongping; Roesky, Herbert W.","Syntheses and Reactions of Derivatives of (Pyrrolylaldiminato)germanium(II) and -Aluminum(III)","Organometallics","2012","31","5","1958","","10.1021/om201252k","","","0.71073","MoKα","","0.1116","0.0995","","","0.1976","0.2044","","","","","","1.115","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076490","9.7417","0.0002","18.6543","0.0005","17.6245","0.0005","90","","102.034","0.003","90","","3132.42","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","LH.AlCl3","","","- C54 H80 Al2 Cl6 N4 O3 -","- C54 H80 Al2 Cl6 N4 O3 -","- C108 H160 Al4 Cl12 N8 O6 -","2","0.5","","Yang, Ying; Zhao, Na; Zhu, Hongping; Roesky, Herbert W.","Syntheses and Reactions of Derivatives of (Pyrrolylaldiminato)germanium(II) and -Aluminum(III)","Organometallics","2012","31","5","1958","","10.1021/om201252k","","","0.71073","MoKα","","0.0723","0.053","","","0.1232","0.1317","","","","","","1.032","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076491","14.935","0.003","13.868","0.003","17.071","0.003","90","","91.06","0.03","90","","3535.1","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","L'(NEt2)Al(NEt2)Li(THF)","","","- C34 H60 Al Li N4 O -","- C34 H60 Al Li N4 O -","- C136 H240 Al4 Li4 N16 O4 -","4","1","","Yang, Ying; Zhao, Na; Zhu, Hongping; Roesky, Herbert W.","Syntheses and Reactions of Derivatives of (Pyrrolylaldiminato)germanium(II) and -Aluminum(III)","Organometallics","2012","31","5","1958","","10.1021/om201252k","","","0.71073","MoKα","","0.0776","0.0682","","","0.2031","0.213","","","","","","1.065","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076492","10.305","0.002","11.761","0.002","26.29","0.005","87.97","0.03","89.23","0.03","64.78","0.03","2880.7","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","L'(PPh2)AlMe(OC4H8-PPh2)Li(THF)2","","","- C61 H83 Al Li N2 O3 P2 -","- C61 H83 Al Li N2 O3 P2 -","- C122 H166 Al2 Li2 N4 O6 P4 -","2","1","","Yang, Ying; Zhao, Na; Zhu, Hongping; Roesky, Herbert W.","Syntheses and Reactions of Derivatives of (Pyrrolylaldiminato)germanium(II) and -Aluminum(III)","Organometallics","2012","31","5","1958","","10.1021/om201252k","","","0.71073","MoKα","","0.2553","0.1081","","","0.248","0.3278","","","","","","0.995","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076493","32.3018","0.0014","14.9286","0.0007","16.9824","0.0008","90","","110.525","0.002","90","","7669.4","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H53 N5 O Ti -","- C43 H53 N5 O Ti -","- C344 H424 N40 O8 Ti8 -","8","1","","Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E.","Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand","Organometallics","2012","31","5","1965","","10.1021/om201262h","","","0.71073","MoKα","","0.1333","0.0677","","","0.1063","0.1088","","","","","","2.491","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076494","16.6663","0.0007","11.7383","0.0005","18.243","0.0007","90","","104.524","0.002","90","","3454.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N5 Zr -","- C39 H45 N5 Zr -","- C156 H180 N20 Zr4 -","4","1","","Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E.","Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand","Organometallics","2012","31","5","1965","","10.1021/om201262h","","","0.71073","MoKα","","0.0491","0.0325","","","0.0505","0.0515","","","","","","1.774","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076495","36.2843","0.0015","11.6553","0.0005","16.971","0.0008","90","","109.665","0.002","90","","6758.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 Cl2 N3 O Ti -","- C39 H41 Cl2 N3 O Ti -","- C312 H328 Cl16 N24 O8 Ti8 -","8","1","","Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E.","Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand","Organometallics","2012","31","5","1965","","10.1021/om201262h","","","0.71073","MoKα","","0.0703","0.042","","","0.0523","0.0533","","","","","","1.938","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076496","17.1199","0.0007","23.1437","0.001","34.8624","0.0015","90","","90","","90","","13813.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40.25 H39 Cl2 N3 Zr -","- C40.25 H39 Cl2 N3 Zr -","- C644 H624 Cl32 N48 Zr16 -","16","4","","Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E.","Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand","Organometallics","2012","31","5","1965","","10.1021/om201262h","","","0.71073","MoKα","","0.0527","0.0345","","","0.0543","0.0553","","","","","","1.589","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076497","11.7169","0.0005","12.7754","0.0006","13.0786","0.0006","61.415","0.002","85.745","0.003","85.899","0.003","1712.89","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 Cl2 N3 O Zr -","- C39 H41 Cl2 N3 O Zr -","- C78 H82 Cl4 N6 O2 Zr2 -","2","1","","Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E.","Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand","Organometallics","2012","31","5","1965","","10.1021/om201262h","","","0.71073","MoKα","","0.054","0.0381","","","0.0678","0.0693","","","","","","1.957","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076498","10.5191","0.0004","12.8102","0.0005","20.6372","0.0008","96.952","0.002","90.511","0.002","98.726","0.002","2727.45","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H79 N3 Zr -","- C64 H79 N3 Zr -","- C128 H158 N6 Zr2 -","2","1","","Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E.","Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand","Organometallics","2012","31","5","1965","","10.1021/om201262h","","","0.71073","MoKα","","0.0466","0.0352","","","0.0492","0.0499","","","","","","1.925","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4076499","13.2349","0.0005","17.656","0.0008","19.0978","0.0008","90","","102.355","0.002","90","","4359.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 N3 -","- C51 H67 N3 -","- C204 H268 N12 -","4","1","","Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E.","Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand","Organometallics","2012","31","5","1965","","10.1021/om201262h","","","0.71073","MoKα","","0.0986","0.0641","","","0.0867","0.0886","","","","","","2.513","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4076500","13.1164","0.0012","14.1721","0.0012","17.7987","0.0014","77.124","0.007","82.581","0.007","68.966","0.008","3006","0.5","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C78.5 H66 Fe6 S2 -","- C78.5 H66 Fe6 S2 -","- C157 H132 Fe12 S4 -","2","1","","Speck, J. Matthäus; Schaarschmidt, Dieter; Lang, Heinrich","Atropisomeric 3,3′,4,4′,5,5′-Hexaferrocenyl-2,2′-bithiophene: Synthesis, Solid-State Structure, and Electrochemistry","Organometallics","2012","31","5","1975","","10.1021/om201266y","","","0.71073","MoKα","","0.0636","0.0375","","","0.0773","0.0807","","","","","","0.868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076501","12.203","0.005","12.279","0.005","12.413","0.005","90","","90","","90","","1860","1.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H33 Co N P3 -","- C12 H33 Co N P3 -","- C48 H132 Co4 N4 P12 -","4","1","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","C‒CN Bond Activation of Acetonitrile using Cobalt(I)","Organometallics","2012","31","5","1588","","10.1021/om201270n","","","0.71073","MoKα","","0.0492","0.0447","","","0.1134","0.1184","","","","","","1.086","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076502","11.5404","0.0014","17.8908","0.0014","13.864","0.003","90","","112.408","0.011","90","","2646.3","0.7","100","","100","","","","","","","","tetrahydrofuran","6","P 1 21/m 1","-P 2yb","11","","(E,E)-1,6,11-tris(4-tolylsulfonyl)-1,6,11-triazacyclopentadeca-3,8-diene- 13-ynenickel(0)-1,5-cyclooctadiene-nickel(0) penta-tetrahydrofuran solute","","- C53 H77 N3 Ni O11 S3 -","- C52.92 H37 N3 Ni O10.98 S3 -","- C105.84 H74 N6 Ni2 O21.96 S6 -","2","0.5","","Brun, Sandra; Pla-Quintana, Anna; Roglans, Anna; Pörschke, Klaus-Richard; Goddard, Richard","Nickel(0) Complexes of Polyunsaturated Azamacrocyclic Ligands","Organometallics","2012","31","5","1983","","10.1021/om201271y","","","0.71073","MoKα","","0.1228","0.073","","","0.1567","0.181","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4076503","18.539","0.003","18.881","0.003","11.2747","0.0015","90","","90","","90","","3946.5","1","100","","100","","","","","","","","tetrahydrofuran","6","P n m a","-P 2ac 2n","62","","(E,E)-1,6,11-tris(4-tolylsulfonyl)-1,6,11-triazacyclopentadeca-3,8-diene- 13-yne-nickel(0)-1,5-cyclooctadiene-nickel(0)","","- C39.67 H47 N3 Ni1.83 O6 S3 -","- C39.672 H47.008 N3 Ni1.834 O6 S3 -","- C158.688 H188.032 N12 Ni7.336 O24 S12 -","4","0.5","","Brun, Sandra; Pla-Quintana, Anna; Roglans, Anna; Pörschke, Klaus-Richard; Goddard, Richard","Nickel(0) Complexes of Polyunsaturated Azamacrocyclic Ligands","Organometallics","2012","31","5","1983","","10.1021/om201271y","","","0.71073","Mo-Kα","","0.1214","0.0857","","","0.2024","0.2199","","","","","","1.163","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076504","12.7365","0.0017","13.2256","0.0017","20.124","0.003","90","","90","","90","","3389.8","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 B2 F4 N6 O Os P -","- C30 H51 B2 F4 N6 O Os P -","- C120 H204 B8 F16 N24 O4 Os4 P4 -","4","1","","Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Anti-Markovnikov 1,3-CH Addition of Allenes to Allenes: A Straightforward Method To Prepare Osmium‒Dienylcarbene Complexes","Organometallics","2012","31","5","1991","","10.1021/om201272q","","","0.71073","MoKα","","0.0627","0.0436","","","0.0756","0.0828","","","","","","0.998","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076505","13.2854","0.0013","20.752","0.002","28.06","0.003","90","","91.672","0.001","90","","7732.8","1.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68.35 H71.71 B2 Cl0.71 F24 N6 Os P -","- C68.354 H71.708 B2 Cl0.708 F24 N6 Os P -","- C273.416 H286.832 B8 Cl2.832 F96 N24 Os4 P4 -","4","1","","Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Anti-Markovnikov 1,3-CH Addition of Allenes to Allenes: A Straightforward Method To Prepare Osmium‒Dienylcarbene Complexes","Organometallics","2012","31","5","1991","","10.1021/om201272q","","","0.71073","MoKα","","0.1363","0.0861","","","0.2063","0.2311","","","","","","1.045","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076506","13.397","0.002","16.445","0.003","18.943","0.003","93.825","0.002","108.678","0.002","104.976","0.002","3768","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H83 B2 F24 N6 Os P -","- C73 H83 B2 F24 N6 Os P -","- C146 H166 B4 F48 N12 Os2 P2 -","2","1","","Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Anti-Markovnikov 1,3-CH Addition of Allenes to Allenes: A Straightforward Method To Prepare Osmium‒Dienylcarbene Complexes","Organometallics","2012","31","5","1991","","10.1021/om201272q","","","0.71073","MoKα","","0.0581","0.0448","","","0.1149","0.1251","","","","","","1.083","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076507","12.2995","0.0016","16.471","0.002","18.697","0.002","90","","99.903","0.002","90","","3731.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 B2 F4 N6 O2 Os P -","- C33 H53 B2 F4 N6 O2 Os P -","- C132 H212 B8 F16 N24 O8 Os4 P4 -","4","1","","Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Anti-Markovnikov 1,3-CH Addition of Allenes to Allenes: A Straightforward Method To Prepare Osmium‒Dienylcarbene Complexes","Organometallics","2012","31","5","1991","","10.1021/om201272q","","","0.71073","MoKα","","0.099","0.0433","","","0.0872","0.1063","","","","","","1.019","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076508","7.5995","0.0011","9.4638","0.0014","20.008","0.003","92.218","0.003","93.955","0.003","113.068","0.003","1317.4","0.3","298","1","298","1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H26 Si -","- C34 H26 Si -","- C68 H52 Si2 -","2","1","","Alonso, Francisco; Buitrago, Robison; Moglie, Yanina; Sepúlveda-Escribano, Antonio; Yus, Miguel","Selective Hydrosilylation of 1,3-Diynes Catalyzed by Titania-Supported Platinum","Organometallics","2012","31","6","2336","","10.1021/om201274v","","","0.71073","MoKα","","0.0843","0.0488","","","0.112","0.127","","","","","","1.014","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076509","19.862","0.0014","8.3618","0.0002","27.6873","0.0018","90","","95.56","0.003","90","","4576.7","0.5","291","2","291","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H54 Br2 N6 O -","- C48 H54 Br2 N6 O -","- C192 H216 Br8 N24 O4 -","4","0.5","","Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian","Diamino- and Mixed Amino‒Amido-N-Heterocyclic Carbenes Based on Triazine Backbones","Organometallics","2012","31","5","2001","","10.1021/om201275z","","","0.71073","MoKα","","0.0871","0.0635","","","0.0982","0.1026","","","","","","1.395","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076510","9.2617","0.0004","9.2617","0.0004","20.5439","0.0009","90","","90","","120","","1526.14","0.11","291","2","291","2","","","","","","","","4","P 31","P 31","144","","","","- C24 H25 N3 S -","- C24 H25 N3 S -","- C72 H75 N9 S3 -","3","1","","Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian","Diamino- and Mixed Amino‒Amido-N-Heterocyclic Carbenes Based on Triazine Backbones","Organometallics","2012","31","5","2001","","10.1021/om201275z","","","0.71073","MoKα","","0.0649","0.0553","","","0.1378","0.1437","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076511","22.3837","0.0007","7.053","0.0003","12.7219","0.0004","90","","98.65","0.003","90","","1985.59","0.12","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Br N3 O Rh -","- C20 H27 Br N3 O Rh -","- C80 H108 Br4 N12 O4 Rh4 -","4","1","","Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian","Diamino- and Mixed Amino‒Amido-N-Heterocyclic Carbenes Based on Triazine Backbones","Organometallics","2012","31","5","2001","","10.1021/om201275z","","","0.71073","MoKα","","0.0461","0.0419","","","0.1139","0.1166","","","","","","1.093","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076512","28.201","0.006","11.827","0.003","10.764","0.002","90","","106.932","0.005","90","","3434.5","1.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H31 Au2 Cl3 N2 P2 -","- C32.5 H31 Au2 Cl3 N2 P2 -","- C130 H124 Au8 Cl12 N8 P8 -","4","0.5","","Ni, Qing-Ling; Jiang, Xuan-Feng; Huang, Ting-Hong; Wang, Xiu-Jian; Gui, Liu-Cheng; Yang, Kun-Guo","Gold(I) Chloride Complexes of Polyphosphine Ligands with Electron-Rich Arene Spacer: Gold‒Arene Interactions","Organometallics","2012","31","6","2343","","10.1021/om201276w","","","0.71073","MoKα","","0.1151","0.0773","","","0.1904","0.2274","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076513","9.6892","0.0004","14.2541","0.0005","12.314","0.0005","90","","105.922","0.004","90","","1635.45","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Au2 Cl2 N2 P2 -","- C36 H32 Au2 Cl2 N2 P2 -","- C72 H64 Au4 Cl4 N4 P4 -","2","0.5","","Ni, Qing-Ling; Jiang, Xuan-Feng; Huang, Ting-Hong; Wang, Xiu-Jian; Gui, Liu-Cheng; Yang, Kun-Guo","Gold(I) Chloride Complexes of Polyphosphine Ligands with Electron-Rich Arene Spacer: Gold‒Arene Interactions","Organometallics","2012","31","6","2343","","10.1021/om201276w","","","0.71073","MoKα","","0.0467","0.0315","","","0.0744","0.0785","","","","","","0.932","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076514","9.8229","0.0018","11.518","0.002","15.667","0.003","69.607","0.003","82.607","0.003","72.291","0.003","1582.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Au4 Cl8 N2 P4 -","- C64 H58 Au4 Cl8 N2 P4 -","- C64 H58 Au4 Cl8 N2 P4 -","1","0.5","","Ni, Qing-Ling; Jiang, Xuan-Feng; Huang, Ting-Hong; Wang, Xiu-Jian; Gui, Liu-Cheng; Yang, Kun-Guo","Gold(I) Chloride Complexes of Polyphosphine Ligands with Electron-Rich Arene Spacer: Gold‒Arene Interactions","Organometallics","2012","31","6","2343","","10.1021/om201276w","","","0.71073","MoKα","","0.0407","0.0295","","","0.0878","0.094","","","","","","1.095","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076515","17.476","0.003","11.628","0.002","17.143","0.003","90","","117.887","0.003","90","","3079.1","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Au4 Cl4 N2 O0 P4 -","- C64 H56 Au4 Cl4 N2 P4 -","- C128 H112 Au8 Cl8 N4 P8 -","2","0.5","","Ni, Qing-Ling; Jiang, Xuan-Feng; Huang, Ting-Hong; Wang, Xiu-Jian; Gui, Liu-Cheng; Yang, Kun-Guo","Gold(I) Chloride Complexes of Polyphosphine Ligands with Electron-Rich Arene Spacer: Gold‒Arene Interactions","Organometallics","2012","31","6","2343","","10.1021/om201276w","","","0.71073","MoKα","","0.0712","0.0433","","","0.1051","0.1244","","","","","","1.021","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076516","15.4246","0.0006","16.2064","0.0005","20.1659","0.0007","83.889","0.001","85.136","0.001","74.773","0.001","4827.9","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Au4 Cl4 N2 P4 -","- C58 H52 Au4 Cl4 N2 P4 -","- C174 H156 Au12 Cl12 N6 P12 -","3","1.5","","Ni, Qing-Ling; Jiang, Xuan-Feng; Huang, Ting-Hong; Wang, Xiu-Jian; Gui, Liu-Cheng; Yang, Kun-Guo","Gold(I) Chloride Complexes of Polyphosphine Ligands with Electron-Rich Arene Spacer: Gold‒Arene Interactions","Organometallics","2012","31","6","2343","","10.1021/om201276w","","","0.71073","MoKα","","0.0895","0.0591","","","0.1512","0.1874","","","","","","1.139","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076517","9.9932","0.0012","11.059","0.0014","19.449","0.003","76.138","0.013","83.944","0.01","85.539","0.012","2072.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N3 Ni -","- C23 H29 N3 Ni -","- C92 H116 N12 Ni4 -","4","2","","Breitenfeld, Jan; Scopelliti, Rosario; Hu, Xile","Synthesis, Reactivity, and Catalytic Application of a Nickel Pincer Hydride Complex","Organometallics","2012","31","6","2128","","10.1021/om201279j","","","0.71073","MoKα","","0.06","0.0433","","","0.0996","0.111","","","","","","1.061","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076518","12.066","0.003","12.7657","0.0018","18.651","0.003","90","","93.517","0.018","90","","2867.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N6 Ni -","- C32 H40 N6 Ni -","- C128 H160 N24 Ni4 -","4","1","","Breitenfeld, Jan; Scopelliti, Rosario; Hu, Xile","Synthesis, Reactivity, and Catalytic Application of a Nickel Pincer Hydride Complex","Organometallics","2012","31","6","2128","","10.1021/om201279j","","","0.71073","MoKα","","0.1115","0.0855","","","0.2316","0.2446","","","","","","1.194","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076519","18.96","0.004","10.792","0.002","27.945","0.006","90","","99.235","0.004","90","","5644","2","173","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 Fe N P2 -","- C64 H82 Fe N P2 -","- C256 H328 Fe4 N4 P8 -","4","1","","Nakajima, Yumiko; Ozawa, Fumiyuki","Redox Chemistry of Bis(phosphaethenyl)pyridine Iron Complexes","Organometallics","2012","31","5","2009","","10.1021/om201280z","","","0.7107","MoKα","","0.1488","0.0781","","","0.1824","0.2337","","","","","","1.077","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076520","16.2808","0.0002","17.5874","0.0002","22.8589","0.0004","96.1553","0.0006","106.015","0.0007","114.773","0.001","5523.06","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H83 Fe N O P2 -","- C60 H83 Fe N O P2 -","- C240 H332 Fe4 N4 O4 P8 -","4","2","","Nakajima, Yumiko; Ozawa, Fumiyuki","Redox Chemistry of Bis(phosphaethenyl)pyridine Iron Complexes","Organometallics","2012","31","5","2009","","10.1021/om201280z","","","0.71069","synchrotron","","0.098","0.0578","","","0.1552","0.1689","","","","","","0.652","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076521","41.171","0.011","9.514","0.003","27.1","0.015","90","","107.47","0.015","90","","10125","7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H73 Fe N P2 -","- C56 H73 Fe N P2 -","- C448 H584 Fe8 N8 P16 -","8","1","","Nakajima, Yumiko; Ozawa, Fumiyuki","Redox Chemistry of Bis(phosphaethenyl)pyridine Iron Complexes","Organometallics","2012","31","5","2009","","10.1021/om201280z","","","0.71075","MoKα","","0.2254","0.1195","","","0.253","0.3277","","","","","","1.073","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076522","12.3871","0.0003","17.3272","0.0004","24.7286","0.0004","93.665","0.002","103.91","0.002","91.174","0.002","5137.9","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H67 Al N2 O3 -","- C62 H67 Al N2 O3 -","- C248 H268 Al4 N8 O12 -","4","2","","Chen, Hsiao-Li; Dutta, Saikat; Huang, Pei-Ying; Lin, Chu-Chieh","Preparation and Characterization of Aluminum Alkoxides Coordinated on salen-Type Ligands: Highly Stereoselective Ring-Opening Polymerization ofrac-Lactide","Organometallics","2012","31","5","2016","","10.1021/om201281w","","","0.71073","MoKα","","0.0699","0.0391","","","0.0828","0.0865","","","","","","1.001","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076523","12.6013","0.0007","12.8198","0.0008","17.4515","0.0008","94.712","0.005","105.049","0.005","97.372","0.005","2680.3","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H70 Al N2 O3 -","- C67 H70 Al N2 O3 -","- C134 H140 Al2 N4 O6 -","2","1","","Chen, Hsiao-Li; Dutta, Saikat; Huang, Pei-Ying; Lin, Chu-Chieh","Preparation and Characterization of Aluminum Alkoxides Coordinated on salen-Type Ligands: Highly Stereoselective Ring-Opening Polymerization ofrac-Lactide","Organometallics","2012","31","5","2016","","10.1021/om201281w","","","0.71073","MoKα","","0.0653","0.0454","","","0.1125","0.1175","","","","","","1.006","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076524","12.1106","0.0004","13.2675","0.0004","19.3795","0.0006","79.073","0.003","77.391","0.003","86.618","0.002","2983.15","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H86 Al2 N2 O2 -","- C66 H86 Al2 N2 O2 -","- C132 H172 Al4 N4 O4 -","2","1","","Chen, Hsiao-Li; Dutta, Saikat; Huang, Pei-Ying; Lin, Chu-Chieh","Preparation and Characterization of Aluminum Alkoxides Coordinated on salen-Type Ligands: Highly Stereoselective Ring-Opening Polymerization ofrac-Lactide","Organometallics","2012","31","5","2016","","10.1021/om201281w","","","0.71073","MoKα","","0.0636","0.0498","","","0.1554","0.1626","","","","","","1.015","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076525","10.2719","0.0017","18.659","0.003","14.278","0.002","90","","96.798","0.002","90","","2717.3","0.7","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 B Fe O2 P -","- C31 H32 B Fe O2 P -","- C124 H128 B4 Fe4 O8 P4 -","4","1","","Kubo, Kazuyuki; Kawanaka, Tomohiro; Tomioka, Masao; Mizuta, Tsutomu","Synthesis and Crystal Structures ofP-Iron-Substituted Phosphinoborane Monomers","Organometallics","2012","31","5","2026","","10.1021/om201287s","","","0.71073","MoKα","","0.087","0.0464","","","0.101","0.1214","","","","","","1.031","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076526","11.6059","0.0013","12.6911","0.0015","21.79","0.003","86.175","0.001","80.838","0.001","86.113","0.002","3156.2","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H41.5 B Fe O2 P -","- C35.5 H41.5 B Fe O2 P -","- C142 H166 B4 Fe4 O8 P4 -","4","2","","Kubo, Kazuyuki; Kawanaka, Tomohiro; Tomioka, Masao; Mizuta, Tsutomu","Synthesis and Crystal Structures ofP-Iron-Substituted Phosphinoborane Monomers","Organometallics","2012","31","5","2026","","10.1021/om201287s","","","0.71073","MoKα","","0.0481","0.0369","","","0.0887","0.0962","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076527","10.44","0.0001","15.394","0.0001","25.112","0.0003","90","","99.131","0.001","90","","3984.69","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 B Fe O2 P -","- C43 H57 B Fe O2 P -","- C172 H228 B4 Fe4 O8 P4 -","4","1","","Kubo, Kazuyuki; Kawanaka, Tomohiro; Tomioka, Masao; Mizuta, Tsutomu","Synthesis and Crystal Structures ofP-Iron-Substituted Phosphinoborane Monomers","Organometallics","2012","31","5","2026","","10.1021/om201287s","","","0.71069","MoKα","","0.0615","0.0475","","","0.1071","0.1181","","","","","","1.064","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076528","11.464","0.0002","18.921","0.0003","17.694","0.0004","90","","90.648","0.001","90","","3837.77","0.13","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H56 B Fe O2 P -","- C43 H56 B Fe O2 P -","- C172 H224 B4 Fe4 O8 P4 -","4","1","","Kubo, Kazuyuki; Kawanaka, Tomohiro; Tomioka, Masao; Mizuta, Tsutomu","Synthesis and Crystal Structures ofP-Iron-Substituted Phosphinoborane Monomers","Organometallics","2012","31","5","2026","","10.1021/om201287s","","","0.71069","MoKα","","0.0558","0.0438","","","0.1032","0.1096","","","","","","1.036","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076529","35.9186","0.001","9.753","0.0003","13.6534","0.0003","90","","112.107","0.0016","90","","4431.3","0.2","200","","200","","","","","","","","Research School of Chemistry","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 B Cl N4 Si -","- C19 H29 B Cl N4 Si -","- C152 H232 B8 Cl8 N32 Si8 -","8","1","","Cade, Ian A.; Hill, Anthony F.","1,1-Bis(N-methylimidazole)-2-(trimethylsilyl)-1-boracyclohexa-1,4-diene Chloride: A Stable Intermediate or Tangent en Route to 1-(N-Methylimidazole)borabenzene?","Organometallics","2012","31","5","2112","","10.1021/om300002y","","","0.71073","MoKα","","0.0616","0.0453","","0.1958","0.1652","0.1958","","","","","","0.8612","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076530","12.7787","0.0002","10.0476","0.0002","18.6854","0.0003","90","","108.326","0.0009","90","","2277.44","0.07","200","","200","","","","","","","","Research School of Chemistry","7","P 1 2/a 1","-P 2ya","13","","","","- C19 H31 B Cl N4 O Si -","- C19 H31 B Cl N4 O Si -","- C76 H124 B4 Cl4 N16 O4 Si4 -","4","1","","Cade, Ian A.; Hill, Anthony F.","1,1-Bis(N-methylimidazole)-2-(trimethylsilyl)-1-boracyclohexa-1,4-diene Chloride: A Stable Intermediate or Tangent en Route to 1-(N-Methylimidazole)borabenzene?","Organometallics","2012","31","5","2112","","10.1021/om300002y","","","0.71073","MoKα","","0.0641","0.0316","","0.1082","0.0757","0.1082","","","","","","0.9786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076531","10.5793","0.0002","10.6046","0.0003","15.4375","0.0004","82.0374","0.0011","72.8897","0.0014","61.3733","0.0013","1452.92","0.07","200","","200","","","","","","","","local","8","P -1","-P 1","2","","","","- C52 H68 B2 Mo2 N12 O4 Rh2 Se2 -","- C52 H68 B2 Mo2 N12 O4 Rh2 Se2 -","- C52 H68 B2 Mo2 N12 O4 Rh2 Se2 -","1","0.5","","Hill, Anthony F.; McQueen, Caitlin M. A.","Novel Carbon Monochalcogenide Coordination Mode: [Rh2{μ-SeCMo(CO)2(Tp*)}2(η4-cod)2] (Tp* = hydrotris(3,5-dimethylpyrazol-1-yl)borate; cod =cyclo-octa-1,5-diene)","Organometallics","2012","31","6","2482","","10.1021/om3000086","","","0.71073","MoKα","","0.0451","0.0329","","0.0796","0.0743","0.0796","","","","","","0.9818","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076532","19.9052","0.0005","10.7519","0.0003","27.3135","0.0008","90","","107.388","0.0009","90","","5578.5","0.3","173.1","","173.1","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H37 Cl5 Mo N P2 -","- C20 H37 Cl5 Mo N P2 -","- C160 H296 Cl40 Mo8 N8 P16 -","8","1","","Arashiba, Kazuya; Sasaki, Kouitsu; Kuriyama, Shogo; Miyake, Yoshihiro; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Protonation of Molybdenum‒ and Tungsten‒Dinitrogen Complexes Bearing PNP-Type Pincer Ligands","Organometallics","2012","31","5","2035","","10.1021/om300011z","","","0.71075","MoKα","","","0.0508","","","","0.1259","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076533","8.8589","0.0008","20.7314","0.0018","17.8396","0.0017","90","","106.435","0.003","90","","3142.5","0.5","173.1","","173.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Mo N5 P3 -","- C26 H52 Mo N5 P3 -","- C104 H208 Mo4 N20 P12 -","4","1","","Arashiba, Kazuya; Sasaki, Kouitsu; Kuriyama, Shogo; Miyake, Yoshihiro; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Protonation of Molybdenum‒ and Tungsten‒Dinitrogen Complexes Bearing PNP-Type Pincer Ligands","Organometallics","2012","31","5","2035","","10.1021/om300011z","","","0.71075","MoKα","","","0.033","","","","0.109","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076534","29.2304","0.0008","14.9824","0.0004","19.7839","0.0005","90","","126.287","0.0007","90","","6983.8","0.3","173","","173","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C27 H51 Cl3 N O P2 W -","- C27 H43 Cl3 N O P2 W -","- C216 H344 Cl24 N8 O8 P16 W8 -","8","2","","Arashiba, Kazuya; Sasaki, Kouitsu; Kuriyama, Shogo; Miyake, Yoshihiro; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Protonation of Molybdenum‒ and Tungsten‒Dinitrogen Complexes Bearing PNP-Type Pincer Ligands","Organometallics","2012","31","5","2035","","10.1021/om300011z","","","0.71075","MoKα","","","0.0316","","","","0.0785","","","","","","1.009","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076535","10.6999","0.0006","13.0508","0.0006","13.9197","0.0007","73.1991","0.0012","79.6971","0.0015","69.3292","0.0014","1734.6","0.15","296","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H54 N5 P3 W -","- C31 H54 N5 P3 W -","- C62 H108 N10 P6 W2 -","2","1","","Arashiba, Kazuya; Sasaki, Kouitsu; Kuriyama, Shogo; Miyake, Yoshihiro; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Protonation of Molybdenum‒ and Tungsten‒Dinitrogen Complexes Bearing PNP-Type Pincer Ligands","Organometallics","2012","31","5","2035","","10.1021/om300011z","","","0.71075","MoKα","","","0.0406","","","","0.0925","","","","","","1.017","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076536","17.33","0.003","10.0397","0.0016","22.406","0.004","90","","107.715","0.002","90","","3713.5","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Cl2 Ge2 N4 P Si2 -","- C26 H47 Cl2 Ge2 N4 P Si2 -","- C104 H188 Cl8 Ge8 N16 P4 Si8 -","4","1","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0306","0.0273","","","0.0815","0.0834","","","","","","1.084","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076537","9.5087","0.001","10.5988","0.0011","15.3895","0.0015","75.362","0.002","78.652","0.002","70.747","0.001","1405.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H82 Cl2 N4 P2 Si8 Sn2 -","- C36 H82 Cl2 N4 P2 Si8 Sn2 -","- C36 H82 Cl2 N4 P2 Si8 Sn2 -","1","0.5","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0267","0.0248","","","0.0669","0.0685","","","","","","1.058","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076538","16.175","0.01","12.434","0.007","17.246","0.01","90","","108.827","0.009","90","","3283","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Cl2 N4 Si2 Sn2 -","- C20 H48 Cl2 N4 Si2 Sn2 -","- C80 H192 Cl8 N16 Si8 Sn8 -","4","1","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0494","0.0336","","","0.0975","0.1462","","","","","","1.1","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076539","9.01","0.001","11.5526","0.0013","17.337","0.002","89.039","0.002","78.051","0.002","67.828","0.002","1631.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H46 Cl Ge N2 P Si4 -","- C24 H46 Cl Ge N2 P Si4 -","- C48 H92 Cl2 Ge2 N4 P2 Si8 -","2","1","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0405","0.0342","","","0.0858","0.0922","","","","","","1.059","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076540","12.4363","0.0014","16.8886","0.0019","19.353","0.002","93.611","0.002","106.664","0.002","100.286","0.002","3803.2","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H57 Cl2 N4 P Si2 Sn2 -","- C24.192 H57.576 Cl2 N4 P Si2 Sn2 -","- C96.768 H230.304 Cl8 N16 P4 Si8 Sn8 -","4","2","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0367","0.0316","","","0.0811","0.0853","","","","","","1.036","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076541","16.782","0.003","18.699","0.003","11.7227","0.0019","90","","100.186","0.002","90","","3620.7","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H57 Cl2 Ge2 N4 P Si2 -","- C24 H57 Cl2 Ge2 N4 P Si2 -","- C96 H228 Cl8 Ge8 N16 P4 Si8 -","4","1","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0271","0.0238","","","0.0641","0.0659","","","","","","1.063","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076542","10.6676","0.0009","11.8453","0.001","12.1007","0.0011","77.3","0.001","89.967","0.001","76.158","0.001","1446.1","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H45 Cl2 Ge N2 P Si4 -","- C16 H45 Cl2 Ge N2 P Si4 -","- C32 H90 Cl4 Ge2 N4 P2 Si8 -","2","1","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0237","0.0226","","","0.0647","0.0655","","","","","","1.062","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076543","16.001","0.0014","9.052","0.0008","18.8509","0.0016","90","","110.288","0.001","90","","2561","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cl N2 P Si Sn -","- C18 H42 Cl N2 P Si Sn -","- C72 H168 Cl4 N8 P4 Si4 Sn4 -","4","1","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.027","0.0249","","","0.0659","0.0676","","","","","","1.05","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076544","11.2153","0.0012","11.8227","0.0013","18.439","0.002","90","","93.948","0.002","90","","2439.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cl Ge N2 P Si -","- C18 H42 Cl Ge N2 P Si -","- C72 H168 Cl4 Ge4 N8 P4 Si4 -","4","1","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0288","0.0256","","","0.0721","0.0742","","","","","","1.055","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076545","17.6548","0.0007","17.6548","0.0007","10.5683","0.0008","90","","90","","90","","3294.1","0.3","173","2","173","2","","","","","","","","7","P -4","P -4","81","","","","- C41 H98 Cl4 Ge4 N8 P2 Si4 -","- C41 H98 Cl4 Ge4 N8 P2 Si4 -","- C82 H196 Cl8 Ge8 N16 P4 Si8 -","2","0.5","","West, Joseph K.; Stahl, Lothar","Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities","Organometallics","2012","31","5","2042","","10.1021/om3000168","","","0.71073","MoKα","","0.0232","0.0218","","","0.0593","0.06","","","","","","1.039","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076546","11.6228","0.0004","18.1284","0.0007","23.6578","0.0009","90","","90","","90","","4984.8","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H13 B F15 N -","- C27 H13 B F15 N -","- C216 H104 B8 F120 N8 -","8","2","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","0.71073","MoKα","","0.0387","0.0315","","","0.0716","0.0758","","","","","","1.021","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076547","9.987","0.0005","10.673","0.0005","14.315","0.0007","71.935","0.002","80.851","0.002","81.259","0.002","1423.59","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H15 B Cl2 F15 N -","- C28 H15 B Cl2 F15 N -","- C56 H30 B2 Cl4 F30 N2 -","2","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0509","0.0468","","","0.1219","0.1257","","","","","","1.035","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076548","9.9101","0.0004","16.3709","0.0014","15.6368","0.001","90","","94.644","0.004","90","","2528.5","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H13 B F15 N -","- C26 H13 B F15 N -","- C104 H52 B4 F60 N4 -","4","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0732","0.0491","","","0.1102","0.1276","","","","","","1.015","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076549","10.1853","0.0003","13.3147","0.0008","21.7805","0.0007","86.615","0.004","73.671","0.003","68.525","0.003","2634.6","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H15 B F15 N -","- C27 H15 B F15 N -","- C108 H60 B4 F60 N4 -","4","2","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0675","0.0563","","","0.1427","0.1499","","","","","","1.061","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076550","9.3616","0.0018","11.479","0.002","15.046","0.003","73.474","0.009","85.102","0.009","67.335","0.006","1429.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H36 B2 Br F30 N2 -","- C58 H36 B2 Br F30 N2 -","- C58 H36 B2 Br F30 N2 -","1","0.5","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","0.71073","MoKα","","0.1055","0.0604","","","0.144","0.1632","","","","","","1.081","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076551","14.309","0.003","12.16","0.002","15.471","0.003","90","","92.833","0.007","90","","2688.6","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H13 B F15 N O2 -","- C28 H13 B F15 N O2 -","- C112 H52 B4 F60 N4 O8 -","4","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","0.71073","MoKα","","0.0743","0.0447","","","0.1015","0.1154","","","","","","1.016","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076552","7.5203","0.0003","18.6531","0.0008","19.9816","0.001","90","","90","","90","","2803","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H15 B F15 N O2 -","- C28 H15 B F15 N O2 -","- C112 H60 B4 F60 N4 O8 -","4","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0704","0.043","","","0.0874","0.1019","","","","","","1.035","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076553","11.2336","0.0004","14.9889","0.0006","44.3937","0.0016","90","","90.618","0.002","90","","7474.5","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H25 B Cl F15 N2 O2 -","- C37.5 H25 B Cl F15 N2 O2 -","- C300 H200 B8 Cl8 F120 N16 O16 -","8","2","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","0.71073","MoKα","","0.0681","0.0526","","","0.1172","0.1266","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076554","11.8169","0.0009","14.2528","0.001","25.8313","0.0018","92.291","0.004","101.983","0.004","94.629","0.004","4234.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 B Cl2 F15 N2 O3 -","- C40 H38 B Cl2 F15 N2 O3 -","- C160 H152 B4 Cl8 F60 N8 O12 -","4","2","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","0.71073","MoKα","","0.1432","0.0847","","","0.2305","0.2712","","","","","","1.03","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076555","15.0642","0.0017","12.337","0.0014","21.279","0.002","90","","109.498","0.007","90","","3727.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 B F15 N2 O2 -","- C37 H35 B F15 N2 O2 -","- C148 H140 B4 F60 N8 O8 -","4","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","0.71073","MoKα","","0.2101","0.0679","","","0.159","0.2212","","","","","","0.964","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076556","10.098","0.0008","11.9201","0.0009","15.5418","0.0013","88.808","0.004","80.396","0.005","69.131","0.004","1722","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H27 B F15 N O2 Si -","- C34 H27 B F15 N O2 Si -","- C68 H54 B2 F30 N2 O4 Si2 -","2","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","0.71073","MoKα","","0.0785","0.0423","","","0.0911","0.1082","","","","","","1.012","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076557","13.2426","0.0003","13.7868","0.0003","18.2798","0.0005","111.59","0.002","99.707","0.002","101.426","0.001","2933.02","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H18 B Cl F15 N -","- C29.5 H18 B Cl F15 N -","- C118 H72 B4 Cl4 F60 N4 -","4","2","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0635","0.0484","","","0.1125","0.124","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076558","10.3487","0.0003","13.2156","0.0008","13.9427","0.0007","97.316","0.003","107.85","0.005","109.846","0.003","1649.26","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H25 B F15 N -","- C35.5 H25 B F15 N -","- C71 H50 B2 F30 N2 -","2","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0645","0.0577","","","0.168","0.1752","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076559","10.0966","0.0004","10.4671","0.0006","16.6994","0.0005","73.407","0.004","73.953","0.002","72.449","0.006","1577.24","0.13","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 B F15 N -","- C33 H23 B F15 N -","- C66 H46 B2 F30 N2 -","2","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0602","0.0532","","","0.1436","0.1509","","","","","","1.015","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076560","9.5086","0.0006","11.9158","0.0007","15.6879","0.001","94.247","0.005","97.456","0.004","106.783","0.003","1675.69","0.18","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 B Cl2 F15 N -","- C33 H23 B Cl2 F15 N -","- C66 H46 B2 Cl4 F30 N2 -","2","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0855","0.0681","","","0.1751","0.192","","","","","","1.01","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076561","10.4396","0.0018","11.605","0.002","13.574","0.002","91.814","0.003","102.502","0.003","113.468","0.003","1459.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H29 Co O4 -","- C37 H29 Co O4 -","- C74 H58 Co2 O8 -","2","1","","Singh, Nem; Elias, Anil J.","Cyclopentadienyl 1,2- and 1,3-Disubstituted Cobalt Sandwich Compounds {η5-[MeOC(O)]2C5H3} Co(η4-C4Ph4): Precursors for Sterically Hindered Bidentate Chiral and Achiral Ligands","Organometallics","2012","31","5","2059","","10.1021/om300027c","","","0.71073","MoKα","","0.0883","0.0758","","","0.1605","0.1667","","","","","","1.199","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076562","8.1315","0.0012","20.642","0.003","17.443","0.003","90","","95.169","0.003","90","","2915.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Co O4 -","- C37 H29 Co O4 -","- C148 H116 Co4 O16 -","4","1","","Singh, Nem; Elias, Anil J.","Cyclopentadienyl 1,2- and 1,3-Disubstituted Cobalt Sandwich Compounds {η5-[MeOC(O)]2C5H3} Co(η4-C4Ph4): Precursors for Sterically Hindered Bidentate Chiral and Achiral Ligands","Organometallics","2012","31","5","2059","","10.1021/om300027c","","","0.71073","MoKα","","0.074","0.0704","","","0.1435","0.1454","","","","","","1.317","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076563","10.351","0.0014","23.164","0.003","10.9642","0.0015","90","","93.506","0.003","90","","2624","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Co O4 -","- C35 H25 Co O4 -","- C140 H100 Co4 O16 -","4","1","","Singh, Nem; Elias, Anil J.","Cyclopentadienyl 1,2- and 1,3-Disubstituted Cobalt Sandwich Compounds {η5-[MeOC(O)]2C5H3} Co(η4-C4Ph4): Precursors for Sterically Hindered Bidentate Chiral and Achiral Ligands","Organometallics","2012","31","5","2059","","10.1021/om300027c","","","0.71073","MoKα","","0.0779","0.0685","","","0.1305","0.1345","","","","","","1.255","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076564","11.079","0.003","12.484","0.003","13.7","0.003","116.292","0.004","90.592","0.005","103.413","0.005","1638.5","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H31 Co Fe O2 -","- C45 H31 Co Fe O2 -","- C90 H62 Co2 Fe2 O4 -","2","1","","Singh, Nem; Elias, Anil J.","Cyclopentadienyl 1,2- and 1,3-Disubstituted Cobalt Sandwich Compounds {η5-[MeOC(O)]2C5H3} Co(η4-C4Ph4): Precursors for Sterically Hindered Bidentate Chiral and Achiral Ligands","Organometallics","2012","31","5","2059","","10.1021/om300027c","","","0.71073","MoKα","","0.1041","0.0635","","","0.1278","0.1414","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076565","13.9582","0.0015","15.3057","0.0017","17.0851","0.0019","90","","90","","90","","3650.1","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Co N2 O2 -","- C45 H43 Co N2 O2 -","- C180 H172 Co4 N8 O8 -","4","1","","Singh, Nem; Elias, Anil J.","Cyclopentadienyl 1,2- and 1,3-Disubstituted Cobalt Sandwich Compounds {η5-[MeOC(O)]2C5H3} Co(η4-C4Ph4): Precursors for Sterically Hindered Bidentate Chiral and Achiral Ligands","Organometallics","2012","31","5","2059","","10.1021/om300027c","","","0.71073","MoKα","","0.0456","0.0435","","","0.0998","0.1009","","","","","","1.184","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076566","10.9466","0.0004","12.2758","0.0004","21.0419","0.0008","76.998","0.003","76.763","0.003","81.982","0.003","2670.32","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H51 F7 O5 P2 Pd S -","- C58 H51 F7 O5 P2 Pd S -","- C116 H102 F14 O10 P4 Pd2 S2 -","2","1","","Troshin, Konstantin; Mayer, Peter; Mayr, Herbert","How Does Palladium Coordination Affect the Electrophilicities of Allyl Cations? Development of a Robust Kinetic Method for Following Reactions of [(η3-Diarylallyl)Pd(PPh3)2]+with Nucleophiles","Organometallics","2012","31","6","2416","","10.1021/om3000357","","","0.71073","MoKα","","0.059","0.0369","","","0.0673","0.0709","","","","","","0.891","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076567","8.069","0.0003","10.113","0.0004","11.98","0.0004","81.033","0.002","87.225","0.002","68.423","0.002","897.93","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H13 O P S2 -","- C24 H13 O P S2 -","- C48 H26 O2 P2 S4 -","2","1","","Chua, Chris Jansen; Ren, Yi; Baumgartner, Thomas","Structure‒Property Studies of Bichromophoric, PAH-Functionalized Dithieno[3,2-b:2′,3′-d]phospholes","Organometallics","2012","31","6","2425","","10.1021/om3000407","","x-ray","0.71073","MoKα","","0.056","0.0474","","","0.1348","0.1467","","","","","","1.218","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076568","9.949","0.0002","11.736","0.0003","14.753","0.0004","71.303","0.001","74.483","0.002","65.75","0.002","1469.18","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 O P S2 Si2 -","- C30 H29 O P S2 Si2 -","- C60 H58 O2 P2 S4 Si4 -","2","1","","Chua, Chris Jansen; Ren, Yi; Baumgartner, Thomas","Structure‒Property Studies of Bichromophoric, PAH-Functionalized Dithieno[3,2-b:2′,3′-d]phospholes","Organometallics","2012","31","6","2425","","10.1021/om3000407","","x-ray","0.71073","MoKα","","0.0731","0.054","","","0.1331","0.1565","","","","","","1.138","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076569","9.0587","0.0008","9.8346","0.0009","14.3299","0.0013","96.37","0.001","95.25","0.001","112.138","0.001","1162.83","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","11168a","","","- C28 H27 Cr O2 P -","- C28 H27 Cr O2 P -","- C56 H54 Cr2 O4 P2 -","2","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0343","0.0293","","","0.0759","0.0796","","","","","","1.043","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076570","9.0261","0.001","9.9033","0.0011","14.4336","0.0015","97.124","0.001","94.271","0.001","111.755","0.001","1178.9","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","11169a","","","- C28 H27 O2 P W -","- C28 H27 O2 P W -","- C56 H54 O4 P2 W2 -","2","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0195","0.0177","","","0.0396","0.0403","","","","","","1.024","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076571","12.1099","0.001","10.3912","0.0009","15.3794","0.0013","90","","93.047","0.001","90","","1932.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11181a","","","- C21 H18 Cr I O2 P -","- C21 H18 Cr I O2 P -","- C84 H72 Cr4 I4 O8 P4 -","4","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0262","0.0229","","","0.0596","0.0617","","","","","","1.064","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076572","14.0313","0.0012","15.0391","0.0013","18.2127","0.0016","90","","90","","90","","3843.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","11167b","","","- C21 H18 Cl Mo O2 P -","- C21 H18 Cl Mo O2 P -","- C168 H144 Cl8 Mo8 O16 P8 -","8","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0348","0.0258","","","0.0589","0.0635","","","","","","1.018","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076573","10.5066","0.0006","10.8751","0.0006","17.7984","0.001","79.479","0.001","83.218","0.001","77.973","0.001","1948.79","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","06217","","","- C21 H18 Br Mo O2 P -","- C21 H18 Br Mo O2 P -","- C84 H72 Br4 Mo4 O8 P4 -","4","2","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0389","0.0285","","","0.057","0.0602","","","","","","1.022","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076574","12.1961","0.0011","10.5867","0.001","15.4413","0.0014","90","","92.419","0.001","90","","1991.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11136a","","","- C21 H18 I Mo O2 P -","- C21 H18 I Mo O2 P -","- C84 H72 I4 Mo4 O8 P4 -","4","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.062","0.0347","","","0.0581","0.0663","","","","","","1.008","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076575","24.388","0.002","24.388","0.002","13.1383","0.0012","90","","90","","90","","7814.3","1.2","173","2","173","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","11105y","","","- C21 H18 Br O2 P W -","- C21 H18 Br O2 P W -","- C336 H288 Br16 O32 P16 W16 -","16","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0444","0.034","","","0.0674","0.0712","","","","","","1.003","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076576","10.474","0.002","23.816","0.005","13.435","0.003","90","","90.636","0.002","90","","3351.1","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11034b","","","- C33 H42 Cr K O8 P -","- C33 H42 Cr K O8 P -","- C132 H168 Cr4 K4 O32 P4 -","4","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0404","0.0315","","","0.0781","0.0836","","","","","","1.036","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076577","10.5873","0.0008","23.9468","0.0018","13.4106","0.001","90","","91.883","0.001","90","","3398.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","07190","","","- C33 H42 K Mo O8 P -","- C33 H42 K Mo O8 P -","- C132 H168 K4 Mo4 O32 P4 -","4","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0437","0.0286","","","0.0607","0.0649","","","","","","1.024","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076578","10.5617","0.0012","23.936","0.003","13.4165","0.0015","90","","91.754","0.002","90","","3390.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11102a","","","- C33 H42 K O8 P W -","- C33 H42 K O8 P W -","- C132 H168 K4 O32 P4 W4 -","4","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.051","0.0315","","","0.0538","0.0583","","","","","","1.019","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076579","11.8808","0.0018","5.8206","0.0009","19.977","0.003","90","","94.089","0.003","90","","1378","0.4","153","1","153","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 N4 -","- C26 H50 N4 -","- C52 H100 N8 -","2","0.5","","Krupski, Sergei; Dickschat, Julia V.; Hepp, Alexander; Pape, Tania; Hahn, F. Ekkehardt","Synthesis and Characterization of Rigid Ditopic N-Heterocyclic Benzobisgermylenes and -stannylenes","Organometallics","2012","31","5","2078","","10.1021/om3000604","","","0.71073","MoKα","","0.0857","0.0543","","","0.1355","0.1531","","","","","","1.031","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076580","16.9241","0.0017","5.9332","0.0006","22.483","0.002","90","","102.826","0.002","90","","2201.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Ge2 N4 -","- C20 H34 Ge2 N4 -","- C80 H136 Ge8 N16 -","4","1","","Krupski, Sergei; Dickschat, Julia V.; Hepp, Alexander; Pape, Tania; Hahn, F. Ekkehardt","Synthesis and Characterization of Rigid Ditopic N-Heterocyclic Benzobisgermylenes and -stannylenes","Organometallics","2012","31","5","2078","","10.1021/om3000604","","","0.71073","MoKα","","0.0765","0.0408","","","0.077","0.0894","","","","","","0.98","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076581","9.4197","0.0007","11.3455","0.0009","12.6917","0.001","80.774","0.001","81.371","0.001","68.643","0.001","1240.68","0.17","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H82 N6 Si4 Sn2 -","- C38 H82 N6 Si4 Sn2 -","- C38 H82 N6 Si4 Sn2 -","1","0.5","","Krupski, Sergei; Dickschat, Julia V.; Hepp, Alexander; Pape, Tania; Hahn, F. Ekkehardt","Synthesis and Characterization of Rigid Ditopic N-Heterocyclic Benzobisgermylenes and -stannylenes","Organometallics","2012","31","5","2078","","10.1021/om3000604","","","0.71073","MoKα","","0.0306","0.026","","","0.0615","0.0636","","","","","","1.062","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076582","13.1239","0.0005","11.0728","0.0004","16.2589","0.0007","90","","92.188","0.001","90","","2360.99","0.16","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H74 N6 Si4 Sn2 -","- C34 H74 N6 Si4 Sn2 -","- C68 H148 N12 Si8 Sn4 -","2","0.5","","Krupski, Sergei; Dickschat, Julia V.; Hepp, Alexander; Pape, Tania; Hahn, F. Ekkehardt","Synthesis and Characterization of Rigid Ditopic N-Heterocyclic Benzobisgermylenes and -stannylenes","Organometallics","2012","31","5","2078","","10.1021/om3000604","","","0.71073","MoKα","","0.0445","0.03","","","0.0602","0.0656","","","","","","1.029","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076583","16.1816","0.0011","20.1417","0.0014","15.0553","0.0011","90","","99.085","0.003","90","","4845.3","0.6","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H73 Fe2 N P2 -","- C56 H73 Fe2 N P2 -","- C224 H292 Fe8 N4 P8 -","4","0.5","","Tian, Rongqiang; Ng, Yongxiang; Ganguly, Rakesh; Mathey, François","A New Type of Phosphaferrocene‒Pyrrole‒Phosphaferrocene P-N-P Pincer Ligand","Organometallics","2012","31","6","2486","","10.1021/om300061d","","","0.71073","MoKα","","0.1234","0.0683","","","0.1775","0.2137","","","","","","1.049","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076584","14.229","0.003","18.247","0.004","18.508","0.005","94.567","0.008","104.179","0.006","90.188","0.01","4642.9","1.9","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.75 H60 Fe2 N O P2 Rh -","- C52.75 H60 Fe2 N O P2 Rh -","- C211 H240 Fe8 N4 O4 P8 Rh4 -","4","2","","Tian, Rongqiang; Ng, Yongxiang; Ganguly, Rakesh; Mathey, François","A New Type of Phosphaferrocene‒Pyrrole‒Phosphaferrocene P-N-P Pincer Ligand","Organometallics","2012","31","6","2486","","10.1021/om300061d","","","0.71073","MoKα","","0.1119","0.0568","","","0.1341","0.185","","","","","","1.057","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076585","8.8154","0.0003","12.905","0.0006","19.3331","0.0005","90","","90","","90","","2199.39","0.14","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H6 B F15 -","- C23 H6 B F15 -","- C92 H24 B4 F60 -","4","1","","Feldmann, Andreas; Iida, Azusa; Fröhlich, Roland; Yamaguchi, Shigehiro; Kehr, Gerald; Erker, Gerhard","Preparation of Dihydroborole Derivatives by a Simple 1,1-Carboboration Route","Organometallics","2012","31","6","2445","","10.1021/om300065m","","","1.54178","CuKα","","0.0335","0.0317","","","0.0854","0.0871","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076586","9.9747","0.0008","12.246","0.0013","16.1369","0.0017","87.714","0.012","75.686","0.009","72.078","0.008","1815.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 B F15 P -","- C35 H35 B F15 P -","- C70 H70 B2 F30 P2 -","2","1","","Feldmann, Andreas; Iida, Azusa; Fröhlich, Roland; Yamaguchi, Shigehiro; Kehr, Gerald; Erker, Gerhard","Preparation of Dihydroborole Derivatives by a Simple 1,1-Carboboration Route","Organometallics","2012","31","6","2445","","10.1021/om300065m","","","1.54178","CuKα","","0.0806","0.076","","","0.2216","0.2288","","","","","","1.095","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076587","13.1586","0.0005","10.5956","0.0003","21.6978","0.0009","90","","94.76","0.004","90","","3014.74","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 B F15 N -","- C31 H19 B F15 N -","- C124 H76 B4 F60 N4 -","4","1","","Feldmann, Andreas; Iida, Azusa; Fröhlich, Roland; Yamaguchi, Shigehiro; Kehr, Gerald; Erker, Gerhard","Preparation of Dihydroborole Derivatives by a Simple 1,1-Carboboration Route","Organometallics","2012","31","6","2445","","10.1021/om300065m","","","1.54178","CuKα","","0.0499","0.0441","","","0.1151","0.1207","","","","","","1.059","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076588","15.0289","0.0009","8.1008","0.0002","19.3668","0.0007","90","","90.147","0.004","90","","2357.82","0.17","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H10 B F15 -","- C26 H10 B F15 -","- C104 H40 B4 F60 -","4","2","","Feldmann, Andreas; Iida, Azusa; Fröhlich, Roland; Yamaguchi, Shigehiro; Kehr, Gerald; Erker, Gerhard","Preparation of Dihydroborole Derivatives by a Simple 1,1-Carboboration Route","Organometallics","2012","31","6","2445","","10.1021/om300065m","","","1.54178","CuKα","","0.0484","0.0474","","","0.1204","0.1214","","","","","","1.045","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076589","7.4428","0.0002","12.5739","0.001","16.1379","0.0005","92.161","0.003","102.917","0.002","100.476","0.004","1442.67","0.13","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H20 B F15 Si -","- C28.5 H20 B F15 Si -","- C57 H40 B2 F30 Si2 -","2","1","","Feldmann, Andreas; Iida, Azusa; Fröhlich, Roland; Yamaguchi, Shigehiro; Kehr, Gerald; Erker, Gerhard","Preparation of Dihydroborole Derivatives by a Simple 1,1-Carboboration Route","Organometallics","2012","31","6","2445","","10.1021/om300065m","","","1.54178","CuKα","","0.0419","0.0409","","","0.1133","0.1144","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076590","13.7434","0.0011","16.1755","0.0013","16.5521","0.0014","91.446","0.001","97.41","0.001","103.874","0.001","3536.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ni2Lig2","","","- C19.5 H26.25 N1.5 Ni0.75 O0.75 -","- C19.5 H21 N3 Ni0.75 O0.75 -","- C156 H168 N24 Ni6 O6 -","8","4","","Bheemaraju, Amarnath; Lord, Richard L.; Müller, Peter; Groysman, Stanislav","Difference in the Reactivities of H- and Me-Substituted Dinucleating Bis(iminopyridine) Ligands with Nickel(0)","Organometallics","2012","31","6","2120","","10.1021/om300067z","","","0.71073","MoKα","","0.0646","0.048","","","0.1221","0.1334","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076591","49.6456","0.0014","9.7578","0.0002","20.2349","0.0006","90","","105.114","0.003","90","","9463.4","0.5","150","2","150","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[K-(18-crown-6)]2{H[P7C(NiPr)2]}","","- C31 H63 K2 N2 O12 P7 -","- C31 H63 K2 N2 O12 P7 -","- C248 H504 K16 N16 O96 P56 -","8","1","","Turbervill, Robert S. P.; Goicoechea, Jose M.","Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions","Organometallics","2012","31","6","2452","","10.1021/om300072z","","","1.54178","CuKα","","0.0527","0.0445","","","0.1141","0.1229","","","","","","1.035","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076592","20.548","0.0005","16.9255","0.0003","15.8004","0.0003","90","","90","","90","","5495.1","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[K(2,2,2-crypt)][HPC(NHDipp)(NDipp)]","","- C43 H72 K N4 O6 P7 -","- C43 H72 K N4 O6 P7 -","- C172 H288 K4 N16 O24 P28 -","4","1","","Turbervill, Robert S. P.; Goicoechea, Jose M.","Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions","Organometallics","2012","31","6","2452","","10.1021/om300072z","","","1.5418","CuKα","","0.068","0.0483","","","0.1171","0.1315","","","","","","1.071","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076593","15.6647","0.0003","15.127","0.0003","17.1338","0.0004","90","","91.22","0.002","90","","4059.1","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(2,2,2-crypt)]{P[C(NHDipp)(NDipp)]2}*THF","","- C72 H114 K N6 O7 P7 -","- C72 H114 K N6 O7 P7 -","- C144 H228 K2 N12 O14 P14 -","2","1","","Turbervill, Robert S. P.; Goicoechea, Jose M.","Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions","Organometallics","2012","31","6","2452","","10.1021/om300072z","","","1.5418","CuKα","","0.0749","0.0629","","","0.1706","0.1835","","","","","","1.018","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076594","15.9418","0.0002","16.7687","0.0002","26.4606","0.0004","90","","90","","90","","7073.53","0.16","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[K(2,2,2-crypt)]{P[C(NHDipp)(NDipp)][C(NHiPr)(NiPr)]}*hex","","- C56 H100 K N6 O6 P7 -","- C56 H100 K N6 O6 P7 -","- C224 H400 K4 N24 O24 P28 -","4","1","","Turbervill, Robert S. P.; Goicoechea, Jose M.","Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions","Organometallics","2012","31","6","2452","","10.1021/om300072z","","","1.54178","CuKα","","0.0729","0.0631","","","0.1699","0.1799","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4076595","16.0447","0.0002","26.4964","0.0003","16.9173","0.0001","90","","91.488","0.001","90","","7189.57","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(2,2,2-crypt)]{P[C(NHDipp)(NDipp)][C(NHCy)(NCy)]}*0.65THF*0.35hex","","- C60.69 H104.08 K N6 O6.65 P7 -","- C60.6922 H104.077 K N6 O6.6539 P7 -","- C242.769 H416.306 K4 N24 O26.6156 P28 -","4","1","","Turbervill, Robert S. P.; Goicoechea, Jose M.","Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions","Organometallics","2012","31","6","2452","","10.1021/om300072z","","","1.54178","CuKα","","0.0498","0.0404","","","0.1037","0.111","","","","","","1.023","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076596","13.386","0.0003","14.1535","0.0004","20.608","0.0007","90","","94.0228","0.0009","90","","3894.75","0.19","173","","","","","","","","","","LOC ETH Zurich","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Al F15 Zr -","- C40 H36 Al F15 Zr -","- C160 H144 Al4 F60 Zr4 -","4","1","","Mathis, Déborah; Couzijn, Erik P. A.; Chen, Peter","Correction to Structure, Dynamics, and Polymerization Activity of Zirconocenium Ion Pairs Generated with Boron-C6F5Compounds and Al2R6","Organometallics","2012","31","5","2117","","10.1021/om300090p","","","0.71073","MoKα","","0.1271","0.0987","","","0.2683","0.2891","","","","","","1.816","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076597","9.0305","0.0003","14.7984","0.0003","23.3313","0.0008","90","","94.628","0.002","90","","3107.76","0.16","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl6 Fe N4 -","- C25 H30 Cl6 Fe N4 -","- C100 H120 Cl24 Fe4 N16 -","4","1","","Al Thagfi, Jameel; Lavoie, Gino G.","Synthesis, Characterization, and Ethylene Polymerization Studies of Chromium, Iron, and Cobalt Complexes Containing 1,3-Bis(imino)-N-Heterocyclic Carbene Ligands","Organometallics","2012","31","6","2463","","10.1021/om3001058","","","0.71073","MoKα","","0.1132","0.0552","","","0.1351","0.1671","","","","","","1.03","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076598","9.0052","0.0003","14.7348","0.0003","23.3276","0.0007","90","","94.697","0.001","90","","3084.94","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl6 Co N4 -","- C25 H30 Cl6 Co N4 -","- C100 H120 Cl24 Co4 N16 -","4","1","","Al Thagfi, Jameel; Lavoie, Gino G.","Synthesis, Characterization, and Ethylene Polymerization Studies of Chromium, Iron, and Cobalt Complexes Containing 1,3-Bis(imino)-N-Heterocyclic Carbene Ligands","Organometallics","2012","31","6","2463","","10.1021/om3001058","","","0.71073","MoKα","","0.0972","0.0567","","","0.1465","0.1736","","","","","","1.055","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076599","15.3436","0.0008","17.5786","0.001","17.7453","0.001","64.999","0.002","82.728","0.003","73.661","0.003","4162.4","0.4","150","2","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H50 Cl3 Cr N4 O2 -","- C43 H50 Cl3 Cr N4 O2 -","- C172 H200 Cl12 Cr4 N16 O8 -","4","2","","Al Thagfi, Jameel; Lavoie, Gino G.","Synthesis, Characterization, and Ethylene Polymerization Studies of Chromium, Iron, and Cobalt Complexes Containing 1,3-Bis(imino)-N-Heterocyclic Carbene Ligands","Organometallics","2012","31","6","2463","","10.1021/om3001058","","","0.71073","MoKα","","0.1774","0.0707","","","0.1558","0.2005","","","","","","1.013","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076600","11.4684","0.0007","13.654","0.0009","16.2059","0.0009","90","","108.816","0.003","90","","2402.1","0.3","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 F6 N3 O P Ru -","- C22 H28 F6 N3 O P Ru -","- C88 H112 F24 N12 O4 P4 Ru4 -","4","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Factors Favoring Efficient Bifunctional Catalysis. Study of a Ruthenium(II) Hydrogenation Catalyst Containing an N-Heterocyclic Carbene with a Primary Amine Donor","Organometallics","2012","31","6","2137","","10.1021/om300108p","","","0.71073","MoKα","","0.0872","0.0522","","","0.1094","0.1248","","","","","","1.024","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00",""
"4076601","10.3534","0.0003","15.8749","0.0007","17.9498","0.0009","90","","90.204","0.003","90","","2950.2","0.2","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 F6 N O P2 Ru -","- C30 H33 F6 N O P2 Ru -","- C120 H132 F24 N4 O4 P8 Ru4 -","4","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Factors Favoring Efficient Bifunctional Catalysis. Study of a Ruthenium(II) Hydrogenation Catalyst Containing an N-Heterocyclic Carbene with a Primary Amine Donor","Organometallics","2012","31","6","2137","","10.1021/om300108p","","","0.71073","MoKα","","0.1282","0.0586","","","0.1243","0.1524","","","","","","1.02","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00",""
"4077834","8.9374","0.0007","12.0045","0.0009","16.5567","0.0013","74.131","0.009","82.93","0.009","68.19","0.008","1585.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H49 Br2 Fe Na O4 -","- C25 H49 Br2 Fe Na O4 -","- C50 H98 Br4 Fe2 Na2 O8 -","2","1","","Vollmer, Guy Y.; Wallasch, Mark W.; Saurenz, Dirk; Wolmershäuser, Gotthelf; Sitzmann, Helmut","Correction to Benzylidyne Bridges from Diphenylacetylene and a Methylidyne Bridge from Methylmagnesium Chloride","Organometallics","2012","31","8","3455","","10.1021/om200383x","","","0.71073","MoKα","","0.0709","0.0412","","","0.0882","0.0956","","","","","","0.864","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077835","11.4246","0.0009","17.1036","0.001","11.7811","0.0009","90","","113.143","0.009","90","","2116.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 Fe2 -","- C48 H68 Fe2 -","- C96 H136 Fe4 -","2","0.5","","Vollmer, Guy Y.; Wallasch, Mark W.; Saurenz, Dirk; Wolmershäuser, Gotthelf; Sitzmann, Helmut","Correction to Benzylidyne Bridges from Diphenylacetylene and a Methylidyne Bridge from Methylmagnesium Chloride","Organometallics","2012","31","8","3455","","10.1021/om200383x","","","0.71073","MoKα","","0.039","0.0285","","","0.0709","0.0736","","","","","","0.957","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077836","17.3057","0.001","14.5628","0.0009","12.9205","0.0005","90","","104.184","0.003","90","","3156.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H41 Br2 Cl N4 -","- C32.5 H41 Br2 Cl N4 -","- C130 H164 Br8 Cl4 N16 -","4","1","","Zuo, Weiwei; Braunstein, Pierre","N-Heterocyclic Dicarbene Iridium(III) Pincer Complexes Featuring Mixed NHC/Abnormal NHC Ligands and Their Applications in the Transfer Dehydrogenation of Cyclooctane","Organometallics","2012","31","7","2606","","10.1021/om200444q","","x-ray","0.71073","MoKα","","0.0785","0.0492","","","0.1229","0.1316","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077837","8.865","0.006","14.884","0.007","15.122","0.007","92.39","0.03","100.23","0.04","101.12","0.04","1920.7","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 I2 Ir N5 -","- C34 H40 I2 Ir N5 -","- C68 H80 I4 Ir2 N10 -","2","1","","Zuo, Weiwei; Braunstein, Pierre","N-Heterocyclic Dicarbene Iridium(III) Pincer Complexes Featuring Mixed NHC/Abnormal NHC Ligands and Their Applications in the Transfer Dehydrogenation of Cyclooctane","Organometallics","2012","31","7","2606","","10.1021/om200444q","","x-ray","0.71073","MoKα","","0.1125","0.0527","","","0.1425","0.1629","","","","","","0.976","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077838","19.1978","0.0013","11.6425","0.0008","15.7377","0.0011","90","","122.093","0.001","90","","2980","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H54 B Cl O3 Os P2 -","- C25 H54 B Cl O3 Os P2 -","- C100 H216 B4 Cl4 O12 Os4 P8 -","4","0.5","","Esteruelas, Miguel A.; López, Ana M.; Mora, Malka; Oñate, Enrique","Reactions of Osmium‒Pinacolboryl Complexes: Preparation of the First Vinylideneboronate Esters","Organometallics","2012","31","8","2965","","10.1021/om200485k","","","0.71073","MoKα","","0.034","0.0268","","","0.0516","0.0532","","","","","","0.925","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077839","11.5504","0.0005","23.2329","0.001","13.16","0.0006","90","","98.803","0.001","90","","3489.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 B O3 Os P2 -","- C33 H59 B O3 Os P2 -","- C132 H236 B4 O12 Os4 P8 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mora, Malka; Oñate, Enrique","Reactions of Osmium‒Pinacolboryl Complexes: Preparation of the First Vinylideneboronate Esters","Organometallics","2012","31","8","2965","","10.1021/om200485k","","","0.71073","MoKα","","0.0273","0.021","","","0.048","0.0505","","","","","","1.035","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077840","11.0486","0.0006","24.2722","0.0014","18.719","0.0011","90","","90.188","0.001","90","","5019.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H83 B O4 Os P2 -","- C52 H83 B O4 Os P2 -","- C208 H332 B4 O16 Os4 P8 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mora, Malka; Oñate, Enrique","Reactions of Osmium‒Pinacolboryl Complexes: Preparation of the First Vinylideneboronate Esters","Organometallics","2012","31","8","2965","","10.1021/om200485k","","","0.71073","MoKα","","0.0494","0.0339","","","0.0786","0.0823","","","","","","0.96","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077841","9.8002","0.0002","19.5809","0.0005","20.0382","0.0005","94.331","0.002","94.5328","0.0019","93.6782","0.0019","3812.77","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H32.25 Cl3.5 N3.25 O0.5 P Pd Pt -","- C36 H31.25 Cl3.5 N3.25 O0.5 P Pd Pt -","- C144 H125 Cl14 N13 O2 P4 Pd4 Pt4 -","4","2","","Petretto, Giacomo L.; Rourke, Jonathan P.; Maidich, Luca; Stoccoro, Sergio; Cinellu, Maria Agostina; Minghetti, Giovanni; Clarkson, Guy J.; Zucca, Antonio","Heterobimetallic Rollover Derivatives","Organometallics","2012","31","8","2971","","10.1021/om200660a","","","0.71073","MoKα","","0.1064","0.0895","","","0.19","0.198","","","","","","1.166","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077842","24.237","0.003","12.4207","0.0017","9.0234","0.0012","90","","105.478","0.007","90","","2617.9","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H15 B10 Co F14 -","- C21 H15 B10 Co F14 -","- C84 H60 B40 Co4 F56 -","4","1","","Ward, Jas S.; Tricas, Hugo; Scott, Greig; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Facile Isomerization and Unprecedented Decarbonation of Metallacarboranes with Fluorinated Aryl Substituents","Organometallics","2012","31","7","2523","","10.1021/om200691z","","","0.71073","MoKα","","0.0532","0.0376","","","0.0603","0.0645","","","","","","1.022","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077843","14.5973","0.0013","16.0164","0.0014","18.3603","0.0016","70.015","0.004","79.973","0.004","89.535","0.004","3966.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 B10 F12 -","- C36 H40 B10 F12 -","- C144 H160 B40 F48 -","4","2","","Ward, Jas S.; Tricas, Hugo; Scott, Greig; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Facile Isomerization and Unprecedented Decarbonation of Metallacarboranes with Fluorinated Aryl Substituents","Organometallics","2012","31","7","2523","","10.1021/om200691z","","","0.71073","MoKα","","0.1091","0.0835","","","0.2115","0.2268","","","","","","1.146","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077844","12.8521","0.0005","16.2817","0.0006","33.9667","0.0012","90","","90","","90","","7107.7","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2010src0133","","","- C32 H46 B9 Co2 F7 O -","- C32 H46 B9 Co2 F7 O -","- C256 H368 B72 Co16 F56 O8 -","8","1","","Ward, Jas S.; Tricas, Hugo; Scott, Greig; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Facile Isomerization and Unprecedented Decarbonation of Metallacarboranes with Fluorinated Aryl Substituents","Organometallics","2012","31","7","2523","","10.1021/om200691z","","","0.71073","MoKα","","0.1341","0.0899","","","0.1459","0.1601","","","","","","1.422","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077845","13.9649","0.0004","15.3595","0.0004","18.6179","0.0005","68.968","0.001","77.588","0.001","76.87","0.001","3590.63","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H55 Ge4 Ir3 O6 -","- C78 H55 Ge4 Ir3 O6 -","- C156 H110 Ge8 Ir6 O12 -","2","1","","Adams, Richard D.; Fang, Fang; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter","α-Cleavage of Phenyl Groups from GePh3Ligands in Iridium Carbonyl Cluster Complexes. A Mechanism and Its Role in the Synthesis of Bridging Germylene Ligands","Organometallics","2012","31","7","2621","","10.1021/om2007002","","","0.71073","MoKα","","0.0739","0.0476","","","0.098","0.1205","","","","","","1.082","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077846","16.244","0.0005","20.8662","0.0007","24.034","0.0008","90","","91.129","0.001","90","","8144.8","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H65 Ge5 Ir3 O6 -","- C90 H65 Ge5 Ir3 O6 -","- C360 H260 Ge20 Ir12 O24 -","4","1","","Adams, Richard D.; Fang, Fang; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter","α-Cleavage of Phenyl Groups from GePh3Ligands in Iridium Carbonyl Cluster Complexes. A Mechanism and Its Role in the Synthesis of Bridging Germylene Ligands","Organometallics","2012","31","7","2621","","10.1021/om2007002","","","0.71073","MoKα","","0.1139","0.0785","","","0.1797","0.198","","","","","","1.086","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077847","10.3576","0.0011","14.9377","0.0016","29.463","0.003","86.979","0.002","85.865","0.002","80.614","0.002","4481.9","0.8","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H65 Ge5 Ir3 O7 -","- C96 H65 Ge5 Ir3 O7 -","- C192 H130 Ge10 Ir6 O14 -","2","1","","Adams, Richard D.; Fang, Fang; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter","α-Cleavage of Phenyl Groups from GePh3Ligands in Iridium Carbonyl Cluster Complexes. A Mechanism and Its Role in the Synthesis of Bridging Germylene Ligands","Organometallics","2012","31","7","2621","","10.1021/om2007002","","","0.71073","MoKα","","0.0823","0.062","","","0.2019","0.2206","","","","","","0.963","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077848","24.9277","0.001","20.8199","0.0008","29.1842","0.0011","90","","94.232","0.001","90","","15105.1","1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H64 Ge5 Ir3 O7 -","- C81 H64 Ge5 Ir3 O7 -","- C648 H512 Ge40 Ir24 O56 -","8","1","","Adams, Richard D.; Fang, Fang; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter","α-Cleavage of Phenyl Groups from GePh3Ligands in Iridium Carbonyl Cluster Complexes. A Mechanism and Its Role in the Synthesis of Bridging Germylene Ligands","Organometallics","2012","31","7","2621","","10.1021/om2007002","","","0.71073","MoKα","","0.0632","0.0422","","","0.0988","0.1109","","","","","","1.027","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077849","9.012","0.002","10.253","0.003","15.554","0.003","74.286","0.01","87.956","0.006","81.373","0.009","1367.8","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H29 B9 Cl N P Rh S -","- C23 H29 B9 Cl N P Rh S -","- C46 H58 B18 Cl2 N2 P2 Rh2 S2 -","2","1","","Calvo, Beatriz; Macías, Ramón; Cunchillos, Carmen; Lahoz, Fernando J.; Oro, Luis A.","Brønsted Acid/Base Driven Chemistry with Rhodathiaboranes: A Labile {SB9H9}‒Thiadecaborane Fragment System","Organometallics","2012","31","7","2526","","10.1021/om200707m","","","0.7378","synchrotron","","0.1263","0.0961","","","0.2343","0.2696","","","","","","1.005","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077850","10.5846","0.0007","10.7947","0.0007","13.1623","0.0008","107.961","0.001","91.751","0.001","92.185","0.001","1428.15","0.16","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C24 H29 B9 Cl N O P Rh S -","- C24 H28.49 B9 Cl N O P Rh S -","- C48 H56.98 B18 Cl2 N2 O2 P2 Rh2 S2 -","2","1","","Calvo, Beatriz; Macías, Ramón; Cunchillos, Carmen; Lahoz, Fernando J.; Oro, Luis A.","Brønsted Acid/Base Driven Chemistry with Rhodathiaboranes: A Labile {SB9H9}‒Thiadecaborane Fragment System","Organometallics","2012","31","7","2526","","10.1021/om200707m","","","0.71073","MoKα","","0.0419","0.032","","","0.0733","0.078","","","","","","1.004","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077851","11.8861","0.0005","15.2456","0.0006","21.607","0.0008","90","","90","","90","","3915.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 O4 Ru Si2 -","- C15 H24 O4 Ru Si2 -","- C120 H192 O32 Ru8 Si16 -","8","1","","Casey, Charles P.; Guan, Hairong","Trimethylsilyl-Substituted Hydroxycyclopentadienyl Ruthenium Hydrides as Benchmarks to Probe Ligand and Metal Effects on the Reactivity of Shvo Type Complexes.","Organometallics","2012","31","7","2631","2638","10.1021/om2007453","","","0.71073","Mo-Kα","","0.0181","0.0167","","","0.045","0.0461","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077852","13.362","0.003","17.193","0.004","16.114","0.004","90","","98.964","0.004","90","","3656.7","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H39 N3 P2 Ru -","- C43 H39 N3 P2 Ru -","- C172 H156 N12 P8 Ru4 -","4","1","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.0923","0.0574","","","0.1299","0.1481","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077853","21.4332","0.0016","16.4391","0.0012","17.9893","0.0014","90","","90","","90","","6338.4","0.8","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H29 N3 P2 Ru -","- C38 H29 N3 P2 Ru -","- C304 H232 N24 P16 Ru8 -","8","2","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.0819","0.048","","","0.1005","0.1165","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077854","11.4978","0.0007","17.563","0.0009","19.605","0.001","90","","100.135","0.001","90","","3897.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H35 N3 P2 Ru -","- C48 H35 N3 P2 Ru -","- C192 H140 N12 P8 Ru4 -","4","1","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.0349","0.0273","","","0.0697","0.075","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077855","20.905","0.001","14.7607","0.0008","23.701","0.001","90","","100.138","0.005","90","","7199.3","0.6","100","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H78 F6 N3 Os P5 Ru -","- C79 H78 F6 N3 Os P5 Ru -","- C316 H312 F24 N12 Os4 P20 Ru4 -","4","0.5","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.1392","0.0749","","","0.191","0.2044","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4077856","11.7459","0.0005","11.9723","0.0005","13.2917","0.0006","82.087","0.004","89.623","0.004","75.665","0.004","1792.97","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl2 N4 P2 Ru -","- C40 H32 Cl2 N4 P2 Ru -","- C80 H64 Cl4 N8 P4 Ru2 -","2","1","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.069","0.0398","","","0.0828","0.0875","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077857","11.1286","0.0002","17.4916","0.0003","20.1481","0.0004","90","","103.473","0.002","90","","3814.04","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 B F4 N3 P2 Ru -","- C43 H40 B F4 N3 P2 Ru -","- C172 H160 B4 F16 N12 P8 Ru4 -","4","1","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.1008","0.0419","","","0.0855","0.0967","","","","","","0.864","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077858","36.723","0.017","68.84","0.03","11.415","0.005","90","","90","","90","","28857","2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C84 H74 F6 N3 P5 Ru2 -","- C84 H74 F6 N3 P5 Ru2 -","- C1344 H1184 F96 N48 P80 Ru32 -","16","1","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.1113","0.062","","","0.1321","0.1575","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077859","16.328","0.003","13.462","0.003","11.636","0.002","90","","104.476","0.003","90","","2476.5","0.8","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10.5 H19 Al0.5 B0.5 N3 O0.5 -","- C10.5 H19 Al0.5 B0.5 N3 O0.5 -","- C84 H152 Al4 B4 N24 O4 -","8","1","","Koller, Jürgen; Bergman, Robert G.","Controlled Hydrosilylation of Carbonyls and Imines Catalyzed by a Cationic Aluminum Alkyl Complex","Organometallics","2012","31","7","2530","","10.1021/om2008277","","","0.71073","MoKα","","0.0606","0.0488","","","0.1288","0.1381","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077860","18.08","0.003","11.2613","0.0015","14.582","0.002","90","","111.25","0.002","90","","2767.1","0.7","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Al B Cl2 I3 N6 -","- C17 H27 Al B Cl2 I3 N6 -","- C68 H108 Al4 B4 Cl8 I12 N24 -","4","1","","Koller, Jürgen; Bergman, Robert G.","Controlled Hydrosilylation of Carbonyls and Imines Catalyzed by a Cationic Aluminum Alkyl Complex","Organometallics","2012","31","7","2530","","10.1021/om2008277","","","0.71073","MoKα","","0.0322","0.0252","","","0.0482","0.0527","","","","","","1.131","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077861","9.5841","0.0005","14.0425","0.0006","15.6167","0.0006","90","","90.828","0.002","90","","2101.55","0.16","200","","200","","","","","","","","?","3","P 1 21 1","P 2yb","4","","4-Phenyl-4,5-dihydro-3H-dinaphtho[2,1-c;1',2'-e]-arsepine","","- C28 H21 As -","- C28 H21 As -","- C112 H84 As4 -","4","2","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0993","0.0284","","0.0604","0.0298","0.0298","","","","","","1.1232","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077862","16.8728","0.0005","16.8728","0.0005","11.2567","0.0002","90","","90","","120","","2775.34","0.13","200","","200","","","","","","","","?","4","P 65","P 65","170","","","","- C22 H16 As I -","- C22 H16 As I -","- C132 H96 As6 I6 -","6","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0423","0.0285","","0.0339","0.0301","0.0301","","","","","","1.0007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077863","16.776","0.0004","16.776","0.0004","11.0926","0.0002","90","","90","","120","","2703.59","0.1","200","","200","","","","","","","","?","4","P 65","P 65","170","","","","- C22 H16 As Cl -","- C22 H16 As Cl -","- C132 H96 As6 Cl6 -","6","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0492","0.0382","","0.0479","0.0423","0.0423","","","","","","1.0032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077864","8.8101","0.0001","11.5091","0.0002","28.4709","0.0004","90","","90","","90","","2886.84","0.07","200","","200","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 As Cl2 F6 P2 -","- C26 H27 As Cl2 F6 P2 -","- C104 H108 As4 Cl8 F24 P8 -","4","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0524","0.0289","","0.0412","0.0309","0.0309","","","","","","1.1069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077865","8.277","0.0001","13.4613","0.0002","29.0898","0.0004","90","","90","","90","","3241.16","0.08","200","","200","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 As F6 O P2 -","- C34 H35 As F6 O P2 -","- C136 H140 As4 F24 O4 P8 -","4","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0511","0.0289","","0.0522","0.037","0.0367","","","","","","0.8108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077866","20.4881","0.0003","7.9518","0.0001","19.5861","0.0003","90","","110.29","0.0009","90","","2992.92","0.08","200","","200","","","","","","","","?","6","C 1 2 1","C 2y","5","","","","- C32 H31 As F6 O P2 -","- C32 H31 As F6 O P2 -","- C128 H124 As4 F24 O4 P8 -","4","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0464","0.0262","","0.0401","0.03","0.03","","","","","","1.1455","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077867","18.723","0.0004","18.723","0.0004","23.0827","0.0004","90","","90","","90","","8091.7","0.3","200","","200","","","","","","","","?","6","P 43 21 2","P 4nw 2abw","96","","","","- C43 H39 As F6 O1.5 P2 -","- C41 H35 As F6 O P2 -","- C328 H280 As8 F48 O8 P16 -","8","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.1207","0.0389","","0.0584","0.0412","0.0412","","","","","","0.8645","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077868","13.0441","0.0014","13.3198","0.0015","14.0108","0.0015","79.51","0.001","76.093","0.001","86.026","0.002","2322.6","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H152 N4 Na2 O14 Zn2 -","- C92 H152 N4 Na2 O14 Zn2 -","- C92 H152 N4 Na2 O14 Zn2 -","1","0.5","","Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene","Organometallics","2012","31","8","2978","","10.1021/om200868j","","","0.71073","MoKα","","0.0732","0.0619","","","0.1632","0.1745","","","","","","1.028","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077869","13.277","0.003","14.628","0.003","16.393","0.003","100.071","0.004","100.134","0.004","101.4","0.004","2998.9","1.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H192 K2 N4 O24 Zn2 -","- C112 H192 K2 N4 O24 Zn2 -","- C112 H192 K2 N4 O24 Zn2 -","1","0.5","","Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene","Organometallics","2012","31","8","2978","","10.1021/om200868j","","","0.71073","MoKα","","0.1232","0.0696","","","0.1774","0.2209","","","","","","1.034","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077870","13.3647","0.001","29.53","0.002","13.8313","0.001","90","","92.371","0.001","90","","5454","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H176 K2 N4 O18 Zn2 -","- C104 H176 K2 N4 O18 Zn2 -","- C208 H352 K4 N8 O36 Zn4 -","2","0.5","","Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene","Organometallics","2012","31","8","2978","","10.1021/om200868j","","","0.71073","MoKα","","0.0654","0.0513","","","0.1298","0.1419","","","","","","1.038","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077871","12.256","0.004","13.158","0.004","20.553","0.006","90","","91.083","0.003","90","","3313.9","1.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H90 N4 Zn2 -","- C72 H90 N4 Zn2 -","- C144 H180 N8 Zn4 -","2","0.5","","Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene","Organometallics","2012","31","8","2978","","10.1021/om200868j","","","0.71073","MoKα","","0.0939","0.0442","","","0.0997","0.1244","","","","","","1.006","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077872","12.684","0.003","15.004","0.003","24.541","0.005","90","","92.469","0.003","90","","4666.1","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 N2 O2 Zn -","- C52 H66 N2 O2 Zn -","- C208 H264 N8 O8 Zn4 -","4","1","","Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene","Organometallics","2012","31","8","2978","","10.1021/om200868j","","","0.71073","MoKα","","0.0687","0.0528","","","0.1405","0.1523","","","","","","1.029","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077873","24.414","0.007","14.365","0.004","23.771","0.011","90","","114.537","0.004","90","","7584","5","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C76 H108 K2 O21 Zn -","- C76 H108 K2 O21 Zn -","- C304 H432 K8 O84 Zn4 -","4","1","","Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene","Organometallics","2012","31","8","2978","","10.1021/om200868j","","","0.71073","MoKα","","0.068","0.0511","","","0.1162","0.1271","","","","","","1.047","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077874","7.9265","0.0011","9.8809","0.0013","15.145","0.002","105.555","0.002","95.967","0.002","101.465","0.002","1104.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Fe2 N O -","- C26 H27 Fe2 N O -","- C52 H54 Fe4 N2 O2 -","2","1","","Busetto, Luigi; Mazzoni, Rita; Salmi, Mauro; Zacchini, Stefano; Zanotti, Valerio","Ferrocenes Containing a Pendant Propargylic Chain Obtained via Addition of Propargyl Alcohol to μ-Vinyliminium Ligands in Diiron Complexes","Organometallics","2012","31","7","2667","","10.1021/om200904s","","","0.71073","MoKα","","0.046","0.0362","","","0.102","0.1099","","","","","","1.04","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077875","10.1578","0.0003","25.6316","0.0002","16.3428","0.0003","90","","100.343","0.001","90","","4185.88","0.15","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 B9 Cl4 N P2 Rh S -","- C33 H45 B9 Cl4 N P2 Rh S -","- C132 H180 B36 Cl16 N4 P8 Rh4 S4 -","4","1","","Calvo, Beatriz; Álvarez, Álvaro; Macías, Ramón; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","Modification of [8,8,8-(H)(PPh3)2-9-(Py)-nido-8,7-RhSB9H9], Py = NC5H5, with Monodentate Phosphines: Reactivity and Mechanistic Insights","Organometallics","2012","31","8","2986","","10.1021/om2009205","","","0.7382","synchrotron","","0.0424","0.042","","","0.1113","0.1117","","","","","","1.058","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077876","10.893","0.0011","12.0718","0.0012","14.3942","0.0014","87.299","0.002","69.594","0.001","81.418","0.001","1754.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H39 B9 Cl2 N P2 Rh S -","- C27 H39 B9 Cl2 N P2 Rh S -","- C54 H78 B18 Cl4 N2 P4 Rh2 S2 -","2","1","","Calvo, Beatriz; Álvarez, Álvaro; Macías, Ramón; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","Modification of [8,8,8-(H)(PPh3)2-9-(Py)-nido-8,7-RhSB9H9], Py = NC5H5, with Monodentate Phosphines: Reactivity and Mechanistic Insights","Organometallics","2012","31","8","2986","","10.1021/om2009205","","","0.71073","MoKα","","0.08","0.0481","","","0.1028","0.1154","","","","","","1.01","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077877","9.1278","0.0013","24.263","0.004","14.915","0.002","90","","103.397","0.002","90","","3213.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 B9 Cl2 N P2 Rh S -","- C22 H37 B9 Cl2 N P2 Rh S -","- C88 H148 B36 Cl8 N4 P8 Rh4 S4 -","4","1","","Calvo, Beatriz; Álvarez, Álvaro; Macías, Ramón; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","Modification of [8,8,8-(H)(PPh3)2-9-(Py)-nido-8,7-RhSB9H9], Py = NC5H5, with Monodentate Phosphines: Reactivity and Mechanistic Insights","Organometallics","2012","31","8","2986","","10.1021/om2009205","","","0.71073","MoKα","","0.0637","0.0591","","","0.1462","0.1487","","","","","","1.17","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077878","20.654","0.004","13.466","0.003","19.897","0.004","90","","101.06","0.006","90","","5431.1","1.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 B Br N2 O6 Pt -","- C25 H30 B Br N2 O6 Pt -","- C200 H240 B8 Br8 N16 O48 Pt8 -","8","2","","Safa, Muhieddine A.; Abo-Amer, Anwar; Borecki, Aneta; Cooper, Benjamin F. T.; Puddephatt, Richard J.","Synthesis and Self-Association of Organoplatinum(IV) Boronic Acids","Organometallics","2012","31","7","2675","","10.1021/om2009217","","","0.71073","MoKα","","0.0867","0.0432","","","0.0677","0.0809","","","","","","1.005","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077879","7.2944","0.0004","12.9087","0.0007","28.1177","0.0015","90","","91.641","0.002","90","","2646.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 B Br N2 O6 Pt -","- C25 H30 B Br N2 O6 Pt -","- C100 H120 B4 Br4 N8 O24 Pt4 -","4","1","","Safa, Muhieddine A.; Abo-Amer, Anwar; Borecki, Aneta; Cooper, Benjamin F. T.; Puddephatt, Richard J.","Synthesis and Self-Association of Organoplatinum(IV) Boronic Acids","Organometallics","2012","31","7","2675","","10.1021/om2009217","","","0.71073","MoKα","","0.0536","0.0305","","","0.0493","0.0549","","","","","","1.023","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077880","11.451","0.004","12.132","0.004","12.267","0.004","92.106","0.009","112.053","0.009","117.416","0.008","1355.8","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H30 B Br N2 O6 Pt -","- C25 H30 B Br N2 O6 Pt -","- C50 H60 B2 Br2 N4 O12 Pt2 -","2","1","","Safa, Muhieddine A.; Abo-Amer, Anwar; Borecki, Aneta; Cooper, Benjamin F. T.; Puddephatt, Richard J.","Synthesis and Self-Association of Organoplatinum(IV) Boronic Acids","Organometallics","2012","31","7","2675","","10.1021/om2009217","","","0.71073","MoKα","","0.0683","0.0402","","","0.0651","0.073","","","","","","1.022","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077881","18.8686","0.0017","9.0871","0.0006","14.2187","0.001","90","","97.755","0.006","90","","2415.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 B Br N5 O3 Pt -","- C23 H22 B Br N5 O3 Pt -","- C92 H88 B4 Br4 N20 O12 Pt4 -","4","1","","Safa, Muhieddine A.; Abo-Amer, Anwar; Borecki, Aneta; Cooper, Benjamin F. T.; Puddephatt, Richard J.","Synthesis and Self-Association of Organoplatinum(IV) Boronic Acids","Organometallics","2012","31","7","2675","","10.1021/om2009217","","","0.71073","MoKα","","0.1161","0.0567","","","0.104","0.1263","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077882","13.9473","0.0019","12.0619","0.0015","13.4461","0.0018","90","","90.468","0.004","90","","2262","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 B Br N4 O3 Pt -","- C21 H22 B Br N4 O3 Pt -","- C84 H88 B4 Br4 N16 O12 Pt4 -","4","1","","Safa, Muhieddine A.; Abo-Amer, Anwar; Borecki, Aneta; Cooper, Benjamin F. T.; Puddephatt, Richard J.","Synthesis and Self-Association of Organoplatinum(IV) Boronic Acids","Organometallics","2012","31","7","2675","","10.1021/om2009217","","","0.71073","MoKα","","0.1156","0.0556","","","0.1041","0.1254","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077883","7.5558","0.0004","22.7203","0.001","14.3006","0.0007","90","","108.863","0.004","90","","2323.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 B Br N4 O3 Pt -","- C21 H22 B Br N4 O3 Pt -","- C84 H88 B4 Br4 N16 O12 Pt4 -","4","1","","Safa, Muhieddine A.; Abo-Amer, Anwar; Borecki, Aneta; Cooper, Benjamin F. T.; Puddephatt, Richard J.","Synthesis and Self-Association of Organoplatinum(IV) Boronic Acids","Organometallics","2012","31","7","2675","","10.1021/om2009217","","","0.71073","MoKα","","0.1141","0.0483","","","0.0833","0.1043","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077884","17.6641","0.0005","13.634","0.0004","19.1235","0.0005","90","","112.724","0.001","90","","4248.1","0.2","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","[Y{C5H3(SiMe3)2}3]","","","- C33 H63 Si6 Y -","- C33 H63 Si6 Y -","- C132 H252 Si24 Y4 -","4","1","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","x-ray","0.71073","MoKα","","0.0986","0.0544","","","0.089","0.1029","","","","","","1.033","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077885","17.6367","0.0002","13.617","0.0002","19.1352","0.0003","90","","112.832","0.001","90","","4235.42","0.11","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","[Yb{C5H3(SiMe3)2}3]","","","- C33 H63 Si6 Yb -","- C33 H63 Si6 Yb -","- C132 H252 Si24 Yb4 -","4","1","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","x-ray","0.71073","MoKα","","0.048","0.0297","","","0.05","0.0545","","","","","","1.013","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077886","11.1588","0.0007","21.3288","0.0015","12.5461","0.0009","90","","92.927","0.003","90","","2982.1","0.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","[Pb{C5H3(SiMe3)2}2]","","","- C22 H42 Pb Si4 -","- C22 H42 Pb Si4 -","- C88 H168 Pb4 Si16 -","4","1","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","x-ray","0.71073","MoKα","","0.1001","0.0656","","","0.1188","0.1291","","","","","","1.144","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077887","12.0772","0.0003","15.792","0.0006","15.5361","0.0006","90","","100.045","0.002","90","","2917.67","0.17","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","[{Y(OH)(C5H3(SiMe3)2)2}2]","","","- C44 H86 O2 Si8 Y2 -","- C44 H86 O2 Si8 Y2 -","- C88 H172 O4 Si16 Y4 -","2","0.5","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","x-ray","0.71073","MoKα","","0.0742","0.0446","","","0.0806","0.0897","","","","","","1.046","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077888","11.9444","0.0003","16.1291","0.0006","15.2303","0.0006","90","","98.549","0.002","90","","2901.55","0.17","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","[{Cp""2Sc}2(C2H4)]","","","- C46 H88 Sc2 Si8 -","- C46 H88 Sc2 Si8 -","- C92 H176 Sc4 Si16 -","2","0.5","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","x-ray","0.71073","MoKα","","0.0576","0.0403","","","0.0816","0.0882","","","","","","1.024","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077889","11.4065","0.0002","11.8768","0.0002","19.0856","0.0003","72.988","0.001","85.189","0.001","70.963","0.001","2337.03","0.07","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","[(18-crown-6)KClYbCl{C5H3(SiMe3)2}2]","","","- C34 H66 Cl2 K O6 Si4 Yb -","- C34 H66 Cl2 K O6 Si4 Yb -","- C68 H132 Cl4 K2 O12 Si8 Yb2 -","2","1","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","x-ray","0.71073","MoKα","","0.0251","0.0224","","","0.0506","0.0519","","","","","","1.056","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077890","19.025","0.005","11.671","0.009","21.525","0.005","90","","93.32","0.02","90","","4771","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H66 Cl2 K La O6 Si4 -","- C34 H66 Cl2 K La O6 Si4 -","- C136 H264 Cl8 K4 La4 O24 Si16 -","4","1","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","","0.71073","MoKα","","0.0998","0.0534","","","0.0992","0.1159","","","","","","0.999","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077891","11.4794","0.0005","12.5636","0.0005","21.2707","0.0009","90","","90","","90","","3067.7","0.2","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","[K{C5H3(SiMe3)2}]","","","- C11 H21 K Si2 -","- C11 H21 K Si2 -","- C88 H168 K8 Si16 -","8","2","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","x-ray","0.71073","MoKα","","0.0424","0.0375","","","0.1105","0.1168","","","","","","0.773","","","","has coordinates,has disorder","187017","2020-10-21","18:00:00",""
"4077892","9.5125","0.0002","10.2874","0.0003","16.9338","0.0005","87.803","0.001","85.979","0.001","76.221","0.001","1605.07","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C24 H45 B10 P3 Pt -","- C24 H45 B10 P3 Pt -","- C48 H90 B20 P6 Pt2 -","2","1","","Bould, Jonathan; Císařová, Ivana; Kennedy, John D.","Polyhedral Platinaborane Chemistry. Interaction of PMe2Ph with [(PMe2Ph)2PtB10H12]","Organometallics","2012","31","7","2691","","10.1021/om200940h","","","0.71073","MoKα","","0.0117","0.0103","","","0.0237","0.0242","","","","","","1.107","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077893","13.632","0.002","13.727","0.001","14.1396","0.0008","69","0.02","63.64","0.02","61.9","0.02","2053.7","0.6","123.2","","123.2","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 F6 N9 O6 Rh2 S2 -","- C38 H31 F6 N9 O6 Rh2 S2 -","- C76 H62 F12 N18 O12 Rh4 S4 -","2","1","","Inoki, Daisuke; Matsumoto, Takahiro; Nakai, Hidetaka; Ogo, Seiji","Experimental Study of Reductive Elimination of H2from Rhodium Hydride Species","Organometallics","2012","31","8","2996","","10.1021/om2009759","","","0.7107","MoKα","","","0.0436","","","","0.09","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077894","11.757","0.002","40.153","0.008","11.907","0.003","90","","108.969","0.003","90","","5315.8","1.9","123.2","","123.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 F12 N10 O12 Rh2 S4 -","- C42 H34 F12 N10 O12 Rh2 S4 -","- C168 H136 F48 N40 O48 Rh8 S16 -","4","1","","Inoki, Daisuke; Matsumoto, Takahiro; Nakai, Hidetaka; Ogo, Seiji","Experimental Study of Reductive Elimination of H2from Rhodium Hydride Species","Organometallics","2012","31","8","2996","","10.1021/om2009759","","","0.7107","MoKα","","","0.0319","","","","0.0823","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077895","17.2928","0.0006","10.4178","0.0004","13.6469","0.0005","90","","103.161","0.002","90","","2393.95","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl2 N2 O2 Pd S2 -","- C19 H28 Cl2 N2 O2 Pd S2 -","- C76 H112 Cl8 N8 O8 Pd4 S8 -","4","1","","Mart\?ínez-Martínez, Antonio-Jesús; Vicente, José; Chicote, Mar\?ía-Teresa; Bautista, Delia","Synthesis and Reactivity of [PdCl2{C,N-C6H4C(═NHXy)NH2-2}] and Neutral Palladium 1,2-Dihydroquinazolinium-4-yl Complexes: Depalladation Reactions","Organometallics","2012","31","7","2697","","10.1021/om200986k","","","0.71073","MoKα","","0.0212","0.0202","","","0.0506","0.0511","","","","","","1.09","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077896","11.3406","0.0009","11.5447","0.0009","14.9407","0.0011","89.173","0.002","83.977","0.002","68.88","0.002","1814","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.5 H39.5 Cl3 N2 O4.75 P Pd -","- C36.5 H39.5 Cl3 N2 O4.75 P Pd -","- C73 H79 Cl6 N4 O9.5 P2 Pd2 -","2","1","","Mart\?ínez-Martínez, Antonio-Jesús; Vicente, José; Chicote, Mar\?ía-Teresa; Bautista, Delia","Synthesis and Reactivity of [PdCl2{C,N-C6H4C(═NHXy)NH2-2}] and Neutral Palladium 1,2-Dihydroquinazolinium-4-yl Complexes: Depalladation Reactions","Organometallics","2012","31","7","2697","","10.1021/om200986k","","","0.71073","MoKα","","0.0437","0.0428","","","0.0997","0.1002","","","","","","1.157","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077897","16.0745","0.0007","11.5809","0.0005","17.5504","0.0008","90","","115.367","0.002","90","","2952.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl5 N3 Pd -","- C28 H30 Cl5 N3 Pd -","- C112 H120 Cl20 N12 Pd4 -","4","1","","Mart\?ínez-Martínez, Antonio-Jesús; Vicente, José; Chicote, Mar\?ía-Teresa; Bautista, Delia","Synthesis and Reactivity of [PdCl2{C,N-C6H4C(═NHXy)NH2-2}] and Neutral Palladium 1,2-Dihydroquinazolinium-4-yl Complexes: Depalladation Reactions","Organometallics","2012","31","7","2697","","10.1021/om200986k","","","0.71073","MoKα","","0.0354","0.0312","","","0.0673","0.0691","","","","","","1.093","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077898","17.0508","0.0009","8.7019","0.0005","26.1081","0.0014","90","","101.108","0.002","90","","3801.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 F3 N2 O3 S -","- C19 H19 F3 N2 O3 S -","- C152 H152 F24 N16 O24 S8 -","8","1","","Mart\?ínez-Martínez, Antonio-Jesús; Vicente, José; Chicote, Mar\?ía-Teresa; Bautista, Delia","Synthesis and Reactivity of [PdCl2{C,N-C6H4C(═NHXy)NH2-2}] and Neutral Palladium 1,2-Dihydroquinazolinium-4-yl Complexes: Depalladation Reactions","Organometallics","2012","31","7","2697","","10.1021/om200986k","","","0.71073","MoKα","","0.0481","0.0449","","","0.1121","0.1145","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4077899","9.863","0.0005","13.6016","0.0007","18.8836","0.001","90","","93.97","0.003","90","","2527.2","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 O10 P2 W2 -","- C22 H12 O10 P2 W2 -","- C88 H48 O40 P8 W8 -","4","1","","Duffy, Matthew P.; Ting, Liow Yu; Nicholls, Leo; Li, Yongxin; Ganguly, Rakesh; Mathey, François","Reaction of Terminal Phosphinidene Complexes with Dihydrogen","Organometallics","2012","31","7","2936","","10.1021/om2009974","","","0.71073","MoKα","","0.0296","0.0235","","","0.0506","0.0583","","","","","","1.07","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077900","6.6181","0.0002","8.0445","0.0002","9.5458","0.0002","83.889","0.001","75.274","0.001","75.041","0.001","474.41","0.02","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 O10 P2 W2 -","- C12 H8 O10 P2 W2 -","- C12 H8 O10 P2 W2 -","1","0.5","","Duffy, Matthew P.; Ting, Liow Yu; Nicholls, Leo; Li, Yongxin; Ganguly, Rakesh; Mathey, François","Reaction of Terminal Phosphinidene Complexes with Dihydrogen","Organometallics","2012","31","7","2936","","10.1021/om2009974","","","0.71073","MoKα","","0.0134","0.0127","","","0.0284","0.0311","","","","","","1.145","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077901","9.7581","0.0002","18.3584","0.0003","10.6825","0.0002","90","","105.725","0.001","90","","1842.07","0.06","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N2 O5 P W -","- C17 H13 N2 O5 P W -","- C68 H52 N8 O20 P4 W4 -","4","1","","Duffy, Matthew P.; Ting, Liow Yu; Nicholls, Leo; Li, Yongxin; Ganguly, Rakesh; Mathey, François","Reaction of Terminal Phosphinidene Complexes with Dihydrogen","Organometallics","2012","31","7","2936","","10.1021/om2009974","","","0.71073","MoKα","","0.0318","0.022","","","0.0535","0.0717","","","","","","1.174","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077902","13.4238","0.0001","14.2954","0.0001","20.7081","0.0002","73.4829","0.0004","84.0057","0.0004","83.9868","0.0004","3777.28","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C83 H65 B F24 O P3 Rh -","- C83 H65 B F24 O P3 Rh -","- C166 H130 B2 F48 O2 P6 Rh2 -","2","1","","Dallanegra, Romaeo; Chaplin, Adrian B.; Weller, Andrew S.","Rhodium Cyclopentyl Phosphine Complexes of Wide-Bite-Angle Ligands DPEphos and Xantphos","Organometallics","2012","31","7","2720","","10.1021/om201034m","","","0.71073","MoKα","","0.0427","0.0329","","","0.0748","0.0794","","","","","","1.03","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077903","12.8119","0.0001","16.2707","0.0002","20.9044","0.0002","84.2396","0.0004","72.9026","0.0004","85.5884","0.0004","4138.93","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H69 B F24 O P3 Rh -","- C86 H69 B F24 O P3 Rh -","- C172 H138 B2 F48 O2 P6 Rh2 -","2","1","","Dallanegra, Romaeo; Chaplin, Adrian B.; Weller, Andrew S.","Rhodium Cyclopentyl Phosphine Complexes of Wide-Bite-Angle Ligands DPEphos and Xantphos","Organometallics","2012","31","7","2720","","10.1021/om201034m","","","0.71073","MoKα","","0.0513","0.042","","","0.1138","0.119","","","","","","1.073","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077904","13.3042","0.0003","17.7665","0.0003","20.6626","0.0005","111.757","0.0009","97.3499","0.0008","94.8652","0.0011","4452.23","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H74 B F25 O P3 Rh -","- C89 H74 B F25 O P3 Rh -","- C178 H148 B2 F50 O2 P6 Rh2 -","2","1","","Dallanegra, Romaeo; Chaplin, Adrian B.; Weller, Andrew S.","Rhodium Cyclopentyl Phosphine Complexes of Wide-Bite-Angle Ligands DPEphos and Xantphos","Organometallics","2012","31","7","2720","","10.1021/om201034m","","","0.71073","MoKα","","0.075","0.051","","","0.1327","0.1435","","","","","","1.055","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077905","13.9956","0.0001","33.5274","0.0003","17.8616","0.0002","90","","108.154","0.0004","90","","7964.09","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H67 B F24 O P3 Rh -","- C83 H67 B F24 O P3 Rh -","- C332 H268 B4 F96 O4 P12 Rh4 -","4","1","","Dallanegra, Romaeo; Chaplin, Adrian B.; Weller, Andrew S.","Rhodium Cyclopentyl Phosphine Complexes of Wide-Bite-Angle Ligands DPEphos and Xantphos","Organometallics","2012","31","7","2720","","10.1021/om201034m","","","0.71073","MoKα","","0.0907","0.0572","","","0.1244","0.1396","","","","","","1.042","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077906","12.859","0.0001","17.1395","0.0001","21.8146","0.0002","99.1448","0.0004","106.805","0.0004","100.704","0.0004","4405.41","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H71 B F24 O P3 Rh -","- C86 H71 B F24 O P3 Rh -","- C172 H142 B2 F48 O2 P6 Rh2 -","2","1","","Dallanegra, Romaeo; Chaplin, Adrian B.; Weller, Andrew S.","Rhodium Cyclopentyl Phosphine Complexes of Wide-Bite-Angle Ligands DPEphos and Xantphos","Organometallics","2012","31","7","2720","","10.1021/om201034m","","","0.71073","MoKα","","0.103","0.0991","","","0.2533","0.2549","","","","","","1.115","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077907","8.7669","0.0004","10.4373","0.0005","20.9854","0.0011","90","","91.383","0.004","90","","1919.66","0.16","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14.5 H24 Cl F6 S Sb -","- C14.5 H23 Cl F6 S Sb -","- C58 H92 Cl4 F24 S4 Sb4 -","4","1","","Savjani, Nicky; Bew, Sean P.; Hughes, David L.; Lancaster, Simon J.; Bochmann, Manfred","Reactivity of “Ligand-Free” Au+: C‒H and C‒C Activation versus π Coordination","Organometallics","2012","31","7","2534","","10.1021/om201035v","","","0.71073","Mo-Kα","","0.0396","0.0347","","","0.082","0.0833","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077908","12.0274","0.0002","7.9197","0.0007","17.4074","0.0009","90","","108.949","0.005","90","","1568.26","0.17","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 F6 S Sb -","- C12 H19 F6 S Sb -","- C48 H76 F24 S4 Sb4 -","4","1","","Savjani, Nicky; Bew, Sean P.; Hughes, David L.; Lancaster, Simon J.; Bochmann, Manfred","Reactivity of “Ligand-Free” Au+: C‒H and C‒C Activation versus π Coordination","Organometallics","2012","31","7","2534","","10.1021/om201035v","","","0.71073","Mo-Kα","","0.0424","0.0338","","","0.0796","0.0825","","","","","","1.066","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077909","8.62","0.0003","11.0278","0.0003","11.6892","0.0004","66.587","0.003","88.441","0.002","86.652","0.002","1017.93","0.06","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H26 Cl F6 S Sb -","- C16.5 H26 Cl F6 S Sb -","- C33 H52 Cl2 F12 S2 Sb2 -","2","1","","Savjani, Nicky; Bew, Sean P.; Hughes, David L.; Lancaster, Simon J.; Bochmann, Manfred","Reactivity of “Ligand-Free” Au+: C‒H and C‒C Activation versus π Coordination","Organometallics","2012","31","7","2534","","10.1021/om201035v","","","0.71073","Mo-Kα","","0.0253","0.0214","","","0.056","0.0566","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077910","25.5825","0.0004","8.66762","0.00011","16.1148","0.0003","90","","94.2792","0.014","90","","3563.32","0.12","140","1","140","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H20 Cl F6 S Sb -","- C12.5 H19 Cl F6 S Sb -","- C100 H152 Cl8 F48 S8 Sb8 -","8","1","","Savjani, Nicky; Bew, Sean P.; Hughes, David L.; Lancaster, Simon J.; Bochmann, Manfred","Reactivity of “Ligand-Free” Au+: C‒H and C‒C Activation versus π Coordination","Organometallics","2012","31","7","2534","","10.1021/om201035v","","","0.71073","Mo-Kα","","0.0298","0.0223","","","0.0557","0.0569","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077911","44.765","0.003","7.8085","0.0003","21.6181","0.0013","90","","93.833","0.005","90","","7539.6","0.7","140","1","140","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H24 Au2 F12 S4 Sb2 -","- C8 H24 Au2 F12 S4 Sb2 -","- C96 H288 Au24 F144 S48 Sb24 -","12","1.5","","Savjani, Nicky; Bew, Sean P.; Hughes, David L.; Lancaster, Simon J.; Bochmann, Manfred","Reactivity of “Ligand-Free” Au+: C‒H and C‒C Activation versus π Coordination","Organometallics","2012","31","7","2534","","10.1021/om201035v","","","0.71073","Mo-Kα","","0.1544","0.086","","","0.1318","0.1521","","","","","","1.013","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077912","8.867","0.0001","13.3363","0.0003","34.4243","0.0005","90","","90","","90","","4070.78","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47.5 H40 N6 O1.5 Pt2 -","- C47.5 H40 N6 O1.5 Pt2 -","- C190 H160 N24 O6 Pt8 -","4","1","","Forniés, Juan; Fuertes, Sara; Larraz, Carmen; Martín, Antonio; Sicilia, Violeta; Tsipis, Athanassios C.","Synthesis and Characterization of the Double Salts [Pt(bzq)(CNR)2][Pt(bzq)(CN)2] with Significant Pt···Pt and π···π Interactions. Mechanistic Insights into the Ligand Exchange Process from Joint Experimental and DFT Study","Organometallics","2012","31","7","2729","","10.1021/om201036z","","","0.71073","MoKα","","0.0419","0.0333","","","0.0633","0.0647","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077913","12.3079","0.0003","11.1195","0.0002","16.0997","0.0004","90","","105.153","0.002","90","","2126.76","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl3 N4 Ti -","- C20 H25 Cl3 N4 Ti -","- C80 H100 Cl12 N16 Ti4 -","4","1","","Helgert, Theodore R.; Hollis, T. Keith; Valente, Edward J.","Synthesis of Titanium CCC-NHC Pincer Complexes and Catalytic Hydroamination of Unactivated Alkenes","Organometallics","2012","31","8","3002","","10.1021/om2010436","","","0.71073","MoKα","","0.0302","0.0237","","","0.0581","0.0593","","","","","","1.003","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077914","11.8116","0.0003","13.0347","0.0003","15.5092","0.0003","90","","93.963","0.002","90","","2382.1","0.09","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cl2 N5 Ti -","- C22 H31 Cl2 N5 Ti -","- C88 H124 Cl8 N20 Ti4 -","4","1","","Helgert, Theodore R.; Hollis, T. Keith; Valente, Edward J.","Synthesis of Titanium CCC-NHC Pincer Complexes and Catalytic Hydroamination of Unactivated Alkenes","Organometallics","2012","31","8","3002","","10.1021/om2010436","","","0.71073","MoKα","","0.0548","0.0311","","","0.0635","0.0658","","","","","","0.955","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077915","19.3158","0.0004","8.817","0.0002","25.1475","0.0005","90","","90","","90","","4282.81","0.16","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 B7 Fe Si -","- C19 H27 B7 Fe Si -","- C152 H216 B56 Fe8 Si8 -","8","1","","Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Efficient and Systematic Click-Based Synthetic Routes to Amino Acid Functionalized Metallatricarbadecaboranes","Organometallics","2012","31","7","2741","","10.1021/om201044r","","","0.71073","MoKα","","0.039","0.0286","","","0.0663","0.0714","","","","","","0.993","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077916","9.5587","0.0014","13.199","0.002","13.245","0.002","90","","94.486","0.003","90","","1665.9","0.4","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B7 Fe -","- C16 H19 B7 Fe -","- C64 H76 B28 Fe4 -","4","1","","Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Efficient and Systematic Click-Based Synthetic Routes to Amino Acid Functionalized Metallatricarbadecaboranes","Organometallics","2012","31","7","2741","","10.1021/om201044r","","","0.71073","MoKα","","0.0471","0.041","","","0.0977","0.1032","","","","","","1.084","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077917","9.6436","0.0008","13.2356","0.001","13.466","0.001","90","","95.869","0.002","90","","1709.8","0.2","170","1","170","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B7 Ru -","- C16 H19 B7 Ru -","- C64 H76 B28 Ru4 -","4","1","","Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Efficient and Systematic Click-Based Synthetic Routes to Amino Acid Functionalized Metallatricarbadecaboranes","Organometallics","2012","31","7","2741","","10.1021/om201044r","","","0.71073","MoKα","","0.0535","0.0419","","","0.1101","0.1213","","","","","","1.071","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077918","16.615","0.004","9.876","0.002","31.354","0.008","90","","91.289","0.003","90","","5144","2","140","1","140","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 B7 N3 Ru -","- C23 H26 B7 N3 Ru -","- C184 H208 B56 N24 Ru8 -","8","1","","Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Efficient and Systematic Click-Based Synthetic Routes to Amino Acid Functionalized Metallatricarbadecaboranes","Organometallics","2012","31","7","2741","","10.1021/om201044r","","","0.71073","MoKα","","0.0577","0.0504","","","0.1453","0.1525","","","","","","1.081","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077919","9.5448","0.0004","16.426","0.0009","25.1954","0.0013","90","","88.649","0.004","90","","3949.1","0.3","100","2","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H54 Cl Mo2 O6 P -","- C39 H54 Cl Mo2 O6 P -","- C156 H216 Cl4 Mo8 O24 P4 -","4","1","","Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime","Reactivity of the Phosphinidene-Bridged Complexes [Mo2Cp(μ-κ1:κ1,η5-PC5H4)(η6-1,3,5-C6H3tBu3)(CO)2] and [Mo2Cp2(μ-PH)(η6-1,3,5-C6H3tBu3)(CO)2] toward Alkynes: Multicomponent Reactions in the Presence of Ligands","Organometallics","2012","31","7","2749","","10.1021/om201048s","","x-ray","0.71073","MoKα","","0.1488","0.0648","","","0.1227","0.1548","","","","","","0.988","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077920","21.585","0.003","21.581","0.003","21.924","0.003","90","","93.659","0.002","90","","10192","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H41 Cl2 O7 P3 Ru3 S2 -","- C51 H40 Cl2 O7 P3 Ru3 S2 -","- C408 H320 Cl16 O56 P24 Ru24 S16 -","8","2","","Hossain, Md. Iqbal; Sikder, Md. Delwar H.; Ghosh, Shishir; Kabir, Shariff E.; Hogarth, Graeme; Salassa, Luca","Reactivity of Triruthenium Furyne and Thiophyne Clusters: Multiple Additions of Thiolato and Selenolato Ligands through Oxidative Addition of S‒H and Se‒H Bonds","Organometallics","2012","31","7","2546","","10.1021/om201052u","","","0.71073","MoKα","","0.1661","0.078","","","0.1596","0.1912","","","","","","0.956","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077921","20.046","0.003","12.57","0.002","21.113","0.004","90","","112.08","0.002","90","","4929.8","1.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H41 Cl2 O5 P3 Ru3 S4 -","- C51 H41 Cl2 O5 P3 Ru3 S4 -","- C204 H164 Cl8 O20 P12 Ru12 S16 -","4","1","","Hossain, Md. Iqbal; Sikder, Md. Delwar H.; Ghosh, Shishir; Kabir, Shariff E.; Hogarth, Graeme; Salassa, Luca","Reactivity of Triruthenium Furyne and Thiophyne Clusters: Multiple Additions of Thiolato and Selenolato Ligands through Oxidative Addition of S‒H and Se‒H Bonds","Organometallics","2012","31","7","2546","","10.1021/om201052u","","","0.71073","MoKα","","0.0961","0.0727","","","0.2024","0.2209","","","","","","1.114","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077922","16.5099","0.0011","15.184","0.001","18.735","0.0012","90","","102.05","0.001","90","","4593.1","0.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 Cl2 O5 P3 Ru3 S4 -","- C43 H41 Cl2 O5 P3 Ru3 S4 -","- C172 H164 Cl8 O20 P12 Ru12 S16 -","4","1","","Hossain, Md. Iqbal; Sikder, Md. Delwar H.; Ghosh, Shishir; Kabir, Shariff E.; Hogarth, Graeme; Salassa, Luca","Reactivity of Triruthenium Furyne and Thiophyne Clusters: Multiple Additions of Thiolato and Selenolato Ligands through Oxidative Addition of S‒H and Se‒H Bonds","Organometallics","2012","31","7","2546","","10.1021/om201052u","","","0.71073","MoKα","","0.1398","0.0632","","","0.0889","0.1113","","","","","","0.936","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077923","16.842","0.002","15.2144","0.0019","18.792","0.002","90","","101.997","0.002","90","","4710.1","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 Cl2 O3 P3 Ru3 S6 -","- C43 H39 Cl2 O3 P3 Ru3 S6 -","- C172 H156 Cl8 O12 P12 Ru12 S24 -","4","1","","Hossain, Md. Iqbal; Sikder, Md. Delwar H.; Ghosh, Shishir; Kabir, Shariff E.; Hogarth, Graeme; Salassa, Luca","Reactivity of Triruthenium Furyne and Thiophyne Clusters: Multiple Additions of Thiolato and Selenolato Ligands through Oxidative Addition of S‒H and Se‒H Bonds","Organometallics","2012","31","7","2546","","10.1021/om201052u","","","0.71073","MoKα","","0.0344","0.0275","","","0.0711","0.0724","","","","","","1.107","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077924","14.635","0.003","18.585","0.003","50.286","0.009","90","","90","","90","","13677","4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H65 O6 P3 Ru3 Se4 -","- C75 H64 O6 P3 Ru3 Se4 -","- C600 H512 O48 P24 Ru24 Se32 -","8","2","","Hossain, Md. Iqbal; Sikder, Md. Delwar H.; Ghosh, Shishir; Kabir, Shariff E.; Hogarth, Graeme; Salassa, Luca","Reactivity of Triruthenium Furyne and Thiophyne Clusters: Multiple Additions of Thiolato and Selenolato Ligands through Oxidative Addition of S‒H and Se‒H Bonds","Organometallics","2012","31","7","2546","","10.1021/om201052u","","","0.71073","MoKα","","0.0741","0.0503","","","0.1023","0.1116","","","","","","1.06","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077925","14.1283","0.0002","17.1504","0.0002","23.2541","0.0003","81.7881","0.0006","88.8624","0.0007","78.6851","0.0005","5468.25","0.12","200","","200","","","","","","","","local","8","P -1","-P 1","2","","","","- C90 H88 B2 Cl12 Ir4 Mo6 N12 O18 -","- C90 H88 B2 Cl12 Ir4 Mo6 N12 O18 -","- C180 H176 B4 Cl24 Ir8 Mo12 N24 O36 -","2","1","","Randles, Michael D.; Dewhurst, Rian D.; Cifuentes, Marie P.; Humphrey, Mark G.","Mixed-Metal Cluster Chemistry. 31.(1) Reactions of Dimolybdenum‒Diiridium Clusters with Alkylidyne Complexes","Organometallics","2012","31","7","2582","","10.1021/om201053s","","","0.71073","MoKα","","0.0638","0.0439","","0.1138","0.1029","0.1138","","","","","","0.9896","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077926","17.4282","0.0004","14.7952","0.0003","17.9635","0.0003","90","","110.019","0.0012","90","","4352.08","0.16","200","","200","","","","","","","","local","10","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 B Cl2 Ir2 Mo2 N6 O10 Si W -","- C36 H30 B Cl2 Ir2 Mo2 N6 O10 Si W -","- C144 H120 B4 Cl8 Ir8 Mo8 N24 O40 Si4 W4 -","4","1","","Randles, Michael D.; Dewhurst, Rian D.; Cifuentes, Marie P.; Humphrey, Mark G.","Mixed-Metal Cluster Chemistry. 31.(1) Reactions of Dimolybdenum‒Diiridium Clusters with Alkylidyne Complexes","Organometallics","2012","31","7","2582","","10.1021/om201053s","","","0.71073","MoKα","","0.0628","0.0459","","0.1846","0.123","0.1846","","","","","","0.8051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077927","11.624","0.0003","12.8133","0.0005","13.7322","0.0005","78.734","0.0016","85.573","0.002","89.436","0.002","1999.87","0.12","200","","200","","","","","","","","local","8","P -1","-P 1","2","","","","- C35 H28 B Cl2 Ir2 Mo3 N6 O8 -","- C35 H28 B Cl2 Ir2 Mo3 N6 O8 -","- C70 H56 B2 Cl4 Ir4 Mo6 N12 O16 -","2","1","","Randles, Michael D.; Dewhurst, Rian D.; Cifuentes, Marie P.; Humphrey, Mark G.","Mixed-Metal Cluster Chemistry. 31.(1) Reactions of Dimolybdenum‒Diiridium Clusters with Alkylidyne Complexes","Organometallics","2012","31","7","2582","","10.1021/om201053s","","","0.71073","MoKα","","0.0685","0.0375","","0.1423","0.1046","0.1423","","","","","","0.8722","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077928","33.8516","0.0004","13.944","0.0002","16.3341","0.0002","90","","104.012","0.0007","90","","7480.72","0.17","200","","200","","","","","","","","local","9","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 B Cl N6 Ni O2 P2 W -","- C30 H52 B Cl N6 Ni O2 P2 W -","- C240 H416 B8 Cl8 N48 Ni8 O16 P16 W8 -","8","1","","Hill, Anthony F.; Sharma, Manab; Willis, Anthony C.","Heterodinuclear Bridging Carbido and Phosphoniocarbyne Complexes","Organometallics","2012","31","7","2538","","10.1021/om201057c","","","0.71073","MoKα","","0.041","0.0293","","0.0684","0.0636","0.0684","","","","","","0.9767","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077929","10.6496","0.0001","17.6512","0.0002","20.4901","0.0002","90","","90","","90","","3851.69","0.07","200","","200","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 B Cl N6 Ni O2 P2 W -","- C30 H52 B Cl N6 Ni O2 P2 W -","- C120 H208 B4 Cl4 N24 Ni4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Sharma, Manab; Willis, Anthony C.","Heterodinuclear Bridging Carbido and Phosphoniocarbyne Complexes","Organometallics","2012","31","7","2538","","10.1021/om201057c","","","0.71073","MoKα","","0.0364","0.0289","","0.0594","0.0566","0.0594","","","","","","0.9895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077930","15.8935","0.0006","15.9458","0.0006","13.0754","0.0005","90","","102.558","0.002","90","","3234.5","0.2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 F12 Fe N10 P2 -","- C25 H26 F12 Fe N10 P2 -","- C100 H104 F48 Fe4 N40 P8 -","4","0.5","","Raba, Andreas; Cokoja, Mirza; Ewald, Stefan; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Novel Iron(II) Complexes with Tetradentate Bis(N-heterocyclic carbene)‒Bis(pyridine) (NCCN) Ligands","Organometallics","2012","31","7","2793","","10.1021/om2010673","","x-ray","0.71073","MoKα","","0.0361","0.0343","","","0.0883","0.0897","","","","","","1.054","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077931","15.7026","0.0006","16.2632","0.0006","13.9422","0.0005","90","","107.94","0.0017","90","","3387.4","0.2","123","1","123","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 F12 Fe N10 P2 -","- C26 H28 F12 Fe N10 P2 -","- C104 H112 F48 Fe4 N40 P8 -","4","0.5","","Raba, Andreas; Cokoja, Mirza; Ewald, Stefan; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Novel Iron(II) Complexes with Tetradentate Bis(N-heterocyclic carbene)‒Bis(pyridine) (NCCN) Ligands","Organometallics","2012","31","7","2793","","10.1021/om2010673","","","0.71073","MoKα","","0.0474","0.038","","","0.0882","0.0946","","","","","","1.079","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077932","12.2592","0.0004","12.3475","0.0004","13.4771","0.0008","100.749","0.002","105.64","0.002","118.072","0.001","1611.2","0.13","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 F12 Fe N9 P2 -","- C25 H27 F12 Fe N9 P2 -","- C50 H54 F24 Fe2 N18 P4 -","2","1","","Raba, Andreas; Cokoja, Mirza; Ewald, Stefan; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Novel Iron(II) Complexes with Tetradentate Bis(N-heterocyclic carbene)‒Bis(pyridine) (NCCN) Ligands","Organometallics","2012","31","7","2793","","10.1021/om2010673","","","0.71073","MoKα","","0.0342","0.0301","","","0.0767","0.0801","","","","","","1.028","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077933","11.5615","0.0002","12.491","0.0003","13.2661","0.0003","87.9783","0.0008","76.8642","0.0008","63.4836","0.0007","1664.61","0.06","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H21 F12 Fe N7 O P2 -","- C22 H21 F12 Fe N7 O P2 -","- C44 H42 F24 Fe2 N14 O2 P4 -","2","1","","Raba, Andreas; Cokoja, Mirza; Ewald, Stefan; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Novel Iron(II) Complexes with Tetradentate Bis(N-heterocyclic carbene)‒Bis(pyridine) (NCCN) Ligands","Organometallics","2012","31","7","2793","","10.1021/om2010673","","x-ray","0.71073","MoKα","","0.0492","0.0362","","","0.0822","0.0859","","","","","","1.042","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077934","12.6283","0.0005","13.172","0.0005","16.6906","0.0008","71.304","0.002","70.488","0.002","70.734","0.002","2400.31","0.18","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H51 B F15 P -","- C51 H51 B F15 P -","- C102 H102 B2 F30 P2 -","2","1","","Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide","Organometallics","2012","31","7","2801","","10.1021/om201076f","","","1.54178","CuKα","","0.0742","0.0537","","","0.1236","0.1371","","","","","","1.021","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077935","11.2833","0.0003","12.7521","0.0004","18.8957","0.0014","97.043","0.002","101.311","0.004","111.568","0.002","2422.2","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H55 B F15 O P -","- C51 H55 B F15 O P -","- C102 H110 B2 F30 O2 P2 -","2","1","","Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide","Organometallics","2012","31","7","2801","","10.1021/om201076f","","","1.54178","CuKα","","0.0714","0.0593","","","0.156","0.1676","","","","","","1.028","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077936","12.0517","0.0003","16.2929","0.0005","23.8126","0.0007","90","","90","","90","","4675.8","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H49 B F15 P -","- C49 H49 B F15 P -","- C196 H196 B4 F60 P4 -","4","1","","Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide","Organometallics","2012","31","7","2801","","10.1021/om201076f","","","1.54178","CuKα","","0.0497","0.0486","","","0.1399","0.1412","","","","","","1.023","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077937","11.1241","0.0006","12.3049","0.0007","15.8458","0.0009","104.19","0.005","100.058","0.004","113.002","0.006","1844.6","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H31 B F15 P -","- C40 H31 B F15 P -","- C80 H62 B2 F30 P2 -","2","1","","Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide","Organometallics","2012","31","7","2801","","10.1021/om201076f","","","1.54178","CuKα","","0.0678","0.0488","","","0.1131","0.1275","","","","","","1.046","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077938","10.2366","0.0002","23.1031","0.0005","14.2896","0.0003","90","","90.937","0.001","90","","3379","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 B F10 P -","- C36 H36 B F10 P -","- C144 H144 B4 F40 P4 -","4","1","","Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide","Organometallics","2012","31","7","2801","","10.1021/om201076f","","","1.54178","CuKα","","0.0787","0.0544","","","0.1265","0.1434","","","","","","1.034","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077939","9.2878","0.0004","12.0852","0.0005","22.1319","0.0011","85.623","0.002","82.11","0.002","81.036","0.002","2426.79","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H49 B F15 O2 P -","- C52 H49 B F15 O2 P -","- C104 H98 B2 F30 O4 P2 -","2","1","","Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide","Organometallics","2012","31","7","2801","","10.1021/om201076f","","","1.54178","CuKα","","0.0873","0.0571","","","0.1226","0.1413","","","","","","1.025","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077940","11.8807","0.0004","13.8628","0.0003","24.357","0.0007","90","","98.872","0.002","90","","3963.6","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 B Cl2 F15 O2 P -","- C40 H29 B Cl2 F15 O2 P -","- C160 H116 B4 Cl8 F60 O8 P4 -","4","1","","Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide","Organometallics","2012","31","7","2801","","10.1021/om201076f","","","1.54178","CuKα","","0.0611","0.0534","","","0.1375","0.1445","","","","","","1.029","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077941","11.1503","0.0001","12.3898","0.0001","23.9191","0.0003","92.8724","0.0004","90.6454","0.0004","113.024","0.0006","3035.65","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H79 N6 O14 P Pt3 S3 -","- C54 H79 N6 O14 P Pt3 S3 -","- C108 H158 N12 O28 P2 Pt6 S6 -","2","1","","Wieczorek, Birgit; Snelders, Dennis J. M.; Dijkstra, Harm P.; Versluis, Kees; Lutz, Martin; Spek, Anthony L.; Egmond, Maarten R.; Klein Gebbink, Robertus J. M.; van Koten, Gerard","Coordination Chemistry in Water of a Free and a Lipase-Embedded Cationic NCN-Pincer Platinum Center with Neutral and Ionic Triarylphosphines","Organometallics","2012","31","7","2810","","10.1021/om2010832","","","0.71073","MoKα","","0.0548","0.0339","","","0.064","0.0701","","","","","","1.034","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077942","9.174","0.0001","10.3943","0.0001","11.6317","0.0001","64.7206","0.0006","87.9559","0.0005","83.6656","0.0006","996.745","0.018","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H26 F3 N3 O4 Pt S -","- C15 H26 F3 N3 O4 Pt S -","- C30 H52 F6 N6 O8 Pt2 S2 -","2","1","","Wieczorek, Birgit; Snelders, Dennis J. M.; Dijkstra, Harm P.; Versluis, Kees; Lutz, Martin; Spek, Anthony L.; Egmond, Maarten R.; Klein Gebbink, Robertus J. M.; van Koten, Gerard","Coordination Chemistry in Water of a Free and a Lipase-Embedded Cationic NCN-Pincer Platinum Center with Neutral and Ionic Triarylphosphines","Organometallics","2012","31","7","2810","","10.1021/om2010832","","","0.71073","MoKα","","0.0308","0.0304","","","0.081","0.0812","","","","","","1.111","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077943","9.072","0.0002","12.085","0.0003","32.693","0.0009","90","","90","","90","","3584.3","0.15","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 Cl2 F6 N2 P Ru2 -","- C37 H39 Cl2 F6 N2 P Ru2 -","- C148 H156 Cl8 F24 N8 P4 Ru8 -","4","1","","Djukic, Jean-Pierre; Sortais, Jean-Baptiste; Barloy, Laurent; Pannetier, Nicolas; Sirlin, Claude; Pfeffer, Michel","Synthesis, Characterization, and Fluxional Behavior of a 34 Electron Homochiral Dimetallic Complex with an Unsupported Hydride Bridge between Two Ru Atoms","Organometallics","2012","31","7","2821","","10.1021/om201093y","","","0.71073","MoKα","","0.0578","0.0378","","","0.0707","0.077","","","","","","1.032","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077944","11.2294","0.0004","15.0015","0.0008","20.9173","0.001","90","","111.534","0.003","90","","3277.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl N2 Ni -","- C15 H23 Cl N2 Ni -","- C120 H184 Cl8 N16 Ni8 -","8","2","","Oertel, Anna Magdalena; Ritleng, Vincent; Chetcuti, Michael J.","Synthesis and Catalytic Activity in Suzuki Coupling of Nickel Complexes Bearingn-Butyl- and Triethoxysilylpropyl-Substituted NHC Ligands: Toward the Heterogenization of Molecular Catalysts","Organometallics","2012","31","7","2829","","10.1021/om201101g","","","0.71073","MoKα","","0.1789","0.0569","","","0.1249","0.1904","","","","","","0.936","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077945","8.5246","0.0005","11.9988","0.0009","12.1499","0.0009","102.649","0.004","106.289","0.004","109.1","0.004","1058.98","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 I N2 Ni -","- C21 H27 I N2 Ni -","- C42 H54 I2 N4 Ni2 -","2","1","","Oertel, Anna Magdalena; Ritleng, Vincent; Chetcuti, Michael J.","Synthesis and Catalytic Activity in Suzuki Coupling of Nickel Complexes Bearingn-Butyl- and Triethoxysilylpropyl-Substituted NHC Ligands: Toward the Heterogenization of Molecular Catalysts","Organometallics","2012","31","7","2829","","10.1021/om201101g","","","0.71073","MoKα","","0.08","0.0441","","","0.0947","0.1271","","","","","","1.086","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077946","8.1838","0.0002","10.9585","0.0005","15.6694","0.0007","99.404","0.002","91.338","0.002","108.408","0.002","1311.22","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H33 I N2 Ni -","- C24 H33 I N2 Ni -","- C48 H66 I2 N4 Ni2 -","2","1","","Oertel, Anna Magdalena; Ritleng, Vincent; Chetcuti, Michael J.","Synthesis and Catalytic Activity in Suzuki Coupling of Nickel Complexes Bearingn-Butyl- and Triethoxysilylpropyl-Substituted NHC Ligands: Toward the Heterogenization of Molecular Catalysts","Organometallics","2012","31","7","2829","","10.1021/om201101g","","","0.71073","MoKα","","0.0579","0.0412","","","0.1081","0.1153","","","","","","1.061","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077947","12.7615","0.0003","13.5249","0.0005","15.9132","0.0006","90","","105.607","0.002","90","","2645.32","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 I N2 Ni -","- C26 H37 I N2 Ni -","- C104 H148 I4 N8 Ni4 -","4","1","","Oertel, Anna Magdalena; Ritleng, Vincent; Chetcuti, Michael J.","Synthesis and Catalytic Activity in Suzuki Coupling of Nickel Complexes Bearingn-Butyl- and Triethoxysilylpropyl-Substituted NHC Ligands: Toward the Heterogenization of Molecular Catalysts","Organometallics","2012","31","7","2829","","10.1021/om201101g","","","0.71073","MoKα","","0.0646","0.0389","","","0.0931","0.1197","","","","","","1.088","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077948","9.9126","0.0005","14.0043","0.0004","21.5414","0.001","90","","104.799","0.002","90","","2891.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 I N2 Ni -","- C29 H43 I N2 Ni -","- C116 H172 I4 N8 Ni4 -","4","1","","Oertel, Anna Magdalena; Ritleng, Vincent; Chetcuti, Michael J.","Synthesis and Catalytic Activity in Suzuki Coupling of Nickel Complexes Bearingn-Butyl- and Triethoxysilylpropyl-Substituted NHC Ligands: Toward the Heterogenization of Molecular Catalysts","Organometallics","2012","31","7","2829","","10.1021/om201101g","","","0.71073","MoKα","","0.1454","0.0694","","","0.1808","0.225","","","","","","1.056","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077949","13.1632","0.0007","10.3986","0.0007","10.5106","0.0005","90","","106.876","0.003","90","","1376.72","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl N2 Ni -","- C13 H19 Cl N2 Ni -","- C52 H76 Cl4 N8 Ni4 -","4","1","","Oertel, Anna Magdalena; Ritleng, Vincent; Chetcuti, Michael J.","Synthesis and Catalytic Activity in Suzuki Coupling of Nickel Complexes Bearingn-Butyl- and Triethoxysilylpropyl-Substituted NHC Ligands: Toward the Heterogenization of Molecular Catalysts","Organometallics","2012","31","7","2829","","10.1021/om201101g","","","0.71073","MoKα","","0.0426","0.0315","","","0.0711","0.083","","","","","","1.084","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077950","10.79","0.005","11.048","0.005","14.823","0.005","68.657","0.005","85.234","0.005","64.677","0.005","1482.1","1.1","293","2","293","2","","","","","","","","9","P 1","P 1","1","","","","- C28 H28 Cu F6 Fe N3 O2 P S -","- C28 H28 Cu F6 Fe N3 O2 P S -","- C56 H56 Cu2 F12 Fe2 N6 O4 P2 S2 -","2","2","","Goswami, Tridib K.; Gadadhar, Sudarshan; Roy, Mithun; Nethaji, Munirathinam; Karande, Anjali A.; Chakravarty, Akhil R.","Ferrocene-Conjugated Copper(II) Complexes ofl-Methionine and Phenanthroline Bases: Synthesis, Structure, and Photocytotoxic Activity","Organometallics","2012","31","8","3010","","10.1021/om201102k","","","0.71073","MoKα","","0.0712","0.0538","","","0.1333","0.1457","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077951","7.4256","0.0007","11.2727","0.001","29.133","0.003","90","","90","","90","","2438.6","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl Cu N3 O6 S -","- C24 H24 Cl Cu N3 O6 S -","- C96 H96 Cl4 Cu4 N12 O24 S4 -","4","1","","Goswami, Tridib K.; Gadadhar, Sudarshan; Roy, Mithun; Nethaji, Munirathinam; Karande, Anjali A.; Chakravarty, Akhil R.","Ferrocene-Conjugated Copper(II) Complexes ofl-Methionine and Phenanthroline Bases: Synthesis, Structure, and Photocytotoxic Activity","Organometallics","2012","31","8","3010","","10.1021/om201102k","","","0.71073","MoKα","","0.1552","0.0613","","","0.1449","0.1905","","","","","","0.861","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077952","9.6549","0.0007","13.804","0.001","28.1935","0.0019","90","","90","","90","","3757.5","0.5","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H43 I N O4 P Pd -","- C40 H43 I N O4 P Pd -","- C160 H172 I4 N4 O16 P4 Pd4 -","4","1","","Xu, Chang; Jun Hao Kennard, Gan; Hennersdorf, Felix; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Chiral Phosphapalladacycles as Efficient Catalysts for the Asymmetric Hydrophosphination of Substituted Methylidenemalonate Esters: Direct Access to Functionalized Tertiary Chiral Phosphines","Organometallics","2012","31","8","3022","","10.1021/om201115n","","","0.71073","MoKα","","0.1074","0.0557","","","0.112","0.1495","","","","","","1.006","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077953","26.3695","0.0018","18.7072","0.0011","17.5347","0.0012","90","","122.045","0.003","90","","7331.9","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 Cl2 Cr P2 Pd -","- C36 H54 Cl2 Cr P2 Pd -","- C288 H432 Cl16 Cr8 P16 Pd8 -","8","1","","Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin","Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes","Organometallics","2012","31","8","3027","","10.1021/om201119v","","","0.71073","MoKα","","0.0683","0.0458","","","0.1471","0.1779","","","","","","0.822","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077954","10.899","0.002","11.419","0.003","16.198","0.003","86.53","0.007","70.774","0.008","67.328","0.006","1751.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 Cl2 Cr O P2 Pt -","- C40 H38 Cl2 Cr O P2 Pt -","- C80 H76 Cl4 Cr2 O2 P4 Pt2 -","2","1","","Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin","Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes","Organometallics","2012","31","8","3027","","10.1021/om201119v","","","0.71073","MoKα","","0.0762","0.0675","","","0.1713","0.1779","","","","","","1.064","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077955","26.131","0.003","18.699","0.002","17.4977","0.0018","90","","120.951","0.002","90","","7332.4","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 Cl2 Cr P2 Pt -","- C36 H54 Cl2 Cr P2 Pt -","- C288 H432 Cl16 Cr8 P16 Pt8 -","8","1","","Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin","Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes","Organometallics","2012","31","8","3027","","10.1021/om201119v","","","0.71073","MoKα","","0.0745","0.0341","","","0.0671","0.0754","","","","","","0.969","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077956","11.268","0.0014","16.9992","0.0018","17.921","0.002","90","","95.335","0.006","90","","3417.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Cr P2 Pd -","- C38 H60 Cr P2 Pd -","- C152 H240 Cr4 P8 Pd4 -","4","1","","Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin","Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes","Organometallics","2012","31","8","3027","","10.1021/om201119v","","","0.71073","MoKα","","0.0243","0.021","","","0.0505","0.052","","","","","","1.046","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077957","9.3207","0.0005","13.1612","0.0007","15.6194","0.0007","90","","100.521","0.002","90","","1883.84","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cr P2 Pt -","- C18 H28 Cr P2 Pt -","- C72 H112 Cr4 P8 Pt4 -","4","1","","Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin","Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes","Organometallics","2012","31","8","3027","","10.1021/om201119v","","","0.71073","MoKα","","0.0276","0.0242","","","0.0676","0.081","","","","","","1.23","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077958","12.4993","0.0003","21.686","0.0007","16.6229","0.0005","90","","97.944","0.001","90","","4462.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 Cr P2 Pt -","- C58 H46 Cr P2 Pt -","- C232 H184 Cr4 P8 Pt4 -","4","1","","Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin","Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes","Organometallics","2012","31","8","3027","","10.1021/om201119v","","","0.71073","MoKα","","0.057","0.0376","","","0.0603","0.0642","","","","","","1.1","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077959","9.8671","0.0019","11.902","0.002","22.483","0.005","87.408","0.011","88.332","0.011","69.159","0.009","2464.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H70 Cr P2 Pt -","- C58 H70 Cr P2 Pt -","- C116 H140 Cr2 P4 Pt2 -","2","1","","Braunschweig, Holger; Friedrich, Maria; Radacki, Krzysztof; Wolf, Justin","Synthesis and Reactivity of Palladium- and Platinum-Bridged Heterobimetallic [3]Trochrocenophanes","Organometallics","2012","31","8","3027","","10.1021/om201119v","","","0.71073","MoKα","","0.0515","0.0343","","","0.0767","0.0947","","","","","","1.122","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077960","15.7452","0.0016","13.4974","0.0014","21.886","0.002","90","","93.482","0.002","90","","4642.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H54 B N3 P3 Rh -","- C53 H51 B N3 P3 Rh -","- C212 H204 B4 N12 P12 Rh4 -","4","1","","Tejel, Cristina; Geer, Ana M.; Jiménez, Sonia; López, José A.; Ciriano, Miguel A.","Easy Access to Hydride Chemistry on a Tripodal P-Based Rhodium Scaffold","Organometallics","2012","31","7","2895","","10.1021/om201129j","","","0.71073","MoKα","","0.1202","0.0751","","","0.1271","0.1433","","","","","","1.06","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077961","12.9713","0.001","13.0463","0.001","19.7923","0.0015","80.6362","0.001","76.7235","0.001","79.77","0.001","3182","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H50 B3 D18 F8 N3 P3 Rh -","- C69 H68 B3 F8 N3 P3 Rh -","- C138 H136 B6 F16 N6 P6 Rh2 -","2","1","","Tejel, Cristina; Geer, Ana M.; Jiménez, Sonia; López, José A.; Ciriano, Miguel A.","Easy Access to Hydride Chemistry on a Tripodal P-Based Rhodium Scaffold","Organometallics","2012","31","7","2895","","10.1021/om201129j","","","0.71073","MoKα","","0.0692","0.0438","","","0.098","0.1111","","","","","","1.025","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077962","12.435","0.002","12.972","0.002","14.316","0.003","91.63","0.002","100.044","0.002","114.017","0.002","2064.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H98 B2 P6 Rh2 -","- C102 H98 B2 P6 Rh2 -","- C102 H98 B2 P6 Rh2 -","1","0.5","","Tejel, Cristina; Geer, Ana M.; Jiménez, Sonia; López, José A.; Ciriano, Miguel A.","Easy Access to Hydride Chemistry on a Tripodal P-Based Rhodium Scaffold","Organometallics","2012","31","7","2895","","10.1021/om201129j","","","0.71073","MoKα","","0.0915","0.0512","","","0.1045","0.1221","","","","","","0.986","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077963","13.276","0.004","13.764","0.004","26.816","0.008","99.91","0.004","94.923","0.004","116.112","0.006","4261","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H107 B2 P6 Rh2 -","- C103 H93 B2 P6 Rh2 -","- C206 H186 B4 P12 Rh4 -","2","1","","Tejel, Cristina; Geer, Ana M.; Jiménez, Sonia; López, José A.; Ciriano, Miguel A.","Easy Access to Hydride Chemistry on a Tripodal P-Based Rhodium Scaffold","Organometallics","2012","31","7","2895","","10.1021/om201129j","","","0.71073","MoKα","","0.0608","0.0481","","","0.1098","0.1152","","","","","","1.09","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077964","13.313","0.0004","14.9607","0.0005","16.1929","0.0005","91.528","0.002","97.27","0.002","114.749","0.002","2894.02","0.17","119","2","119","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 F6 N3 O9 P Pt S2 -","- C48 H60.858 F6 N3 O9.429 P Pt S2 -","- C96 H121.716 F12 N6 O18.858 P2 Pt2 S4 -","2","1","","Zayya, Almas I.; Spencer, John L.","Coordination Chemistry of a Bicyclic 3-Aza-7-phosphabicyclo[3.3.1]nonan-9-one Ligand","Organometallics","2012","31","7","2841","","10.1021/om201131w","","","0.71073","MoKα","","0.0425","0.0315","","","0.0802","0.0843","","","","","","1.04","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077965","15.3563","0.0014","16.5728","0.0013","27.816","0.002","90","","105.768","0.004","90","","6812.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N3 O5 P Pt -","- C32 H44 N3 O6 P Pt -","- C256 H352 N24 O48 P8 Pt8 -","8","1","","Zayya, Almas I.; Spencer, John L.","Coordination Chemistry of a Bicyclic 3-Aza-7-phosphabicyclo[3.3.1]nonan-9-one Ligand","Organometallics","2012","31","7","2841","","10.1021/om201131w","","","0.71073","MoKα","","0.0693","0.0459","","","0.1023","0.1183","","","","","","1.128","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077966","8.3927","0.0002","11.1631","0.0003","10.8626","0.0002","90","","91.922","0.002","90","","1017.13","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl2 N2 Pd -","- C22 H30 Cl2 N2 Pd -","- C44 H60 Cl4 N4 Pd2 -","2","0.5","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0246","0.0217","","","0.0616","0.0639","","","","","","1.07","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077967","21.404","0.0003","8.8892","0.0002","14.5045","0.0003","90","","90","","90","","2759.69","0.09","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C26 H34 Cl2 N2 O4 Pt -","- C26 H34 Cl2 N2 O4 Pt -","- C104 H136 Cl8 N8 O16 Pt4 -","4","","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0313","0.0266","","","0.0712","0.0748","","","","","","1.08","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077968","7.9107","0.0003","18.5383","0.0006","8.6614","0.0003","90","","115.322","0.002","90","","1148.16","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl2 N2 O4 Pt -","- C22 H30 Cl2 N2 O4 Pt -","- C44 H60 Cl4 N4 O8 Pt2 -","2","0.5","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0375","0.0226","","","0.0496","0.0543","","","","","","1.055","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077969","8.4076","0.0002","9.4946","0.0002","9.5479","0.0002","104.722","0.001","98.402","0.001","113.07","0.001","651.84","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl2 N2 O4 Pt -","- C25.988 H38 Cl2 N2 O3.994 Pt -","- C25.988 H38 Cl2 N2 O3.994 Pt -","1","0.5","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0213","0.0213","","","0.0539","0.0539","","","","","","1.048","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077970","13.295","0.003","13.88","0.003","15.392","0.003","82.38","0.03","67.13","0.03","67.03","0.03","2409","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 Cl8 N2 O8 Pt -","- C40.003 H56 Cl8 N2 O8 Pt -","- C80.006 H112 Cl16 N4 O16 Pt2 -","2","1","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0749","0.0433","","","0.0939","0.1048","","","","","","0.974","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077971","8.412","0.002","8.542","0.002","15.116","0.004","80.431","0.003","77.45","0.003","65.009","0.002","957.5","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl2 N2 O2 Pt -","- C18 H24 Cl2 N2 O2 Pt -","- C36 H48 Cl4 N4 O4 Pt2 -","2","1","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0173","0.0168","","","0.0439","0.0443","","","","","","1.017","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077972","12.6145","0.0002","12.6662","0.0003","18.3536","0.0005","102.97","0.001","101.277","0.001","112.874","0.001","2498.95","0.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.44 H32.88 Cl2.88 N2 O2 Pt -","- C22 H32 Cl2 N2 O2 Pt -","- C88 H128 Cl8 N8 O8 Pt4 -","4","2","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0617","0.049","","","0.1421","0.1526","","","","","","1.061","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077973","8.91","0.003","9.003","0.004","24.747","0.009","87.55","0.03","87.042","0.019","60.496","0.016","1725.1","1.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H50 Cl4 N2 O2 Pt -","- C31 H50 Cl4 N2 O2 Pt -","- C62 H100 Cl8 N4 O4 Pt2 -","2","1","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0599","0.0378","","","0.0826","0.0914","","","","","","1.027","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077974","17.5842","0.0008","26.4171","0.0013","26.6018","0.0013","88.81","0.001","88.724","0.001","80.675","0.001","12189","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","palladium-thallium carbonylphosphine acetylacetonate","","","- C131.5 H113 O14.5 P6 Pd9 Tl -","- C131.5 H113 O14.5 P6 Pd9 Tl -","- C526 H452 O58 P24 Pd36 Tl4 -","4","2","","Mednikov, Evgueni G.; Vo, Nicky; Fry, Charles G.; Dahl, Lawrence F.","High-Yield Synthesis of PPh3-Ligated Decanuclear Tl‒Pd Cluster, Pd9[Tl(acac)](CO)9(PPh3)6: Comparative Analysis of Tl(I)‒Pd(0) Bonding Connectivities with Known Tl‒Pd Clusters and Resulting Insight Concerning Their Dissimilar Dynamic Solution Behavior","Organometallics","2012","31","7","2878","","10.1021/om201150x","","","0.71073","MoKα","","0.0852","0.0644","","","0.1653","0.1771","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077975","16.6815","0.0005","23.9936","0.0007","30.323","0.0009","107.682","0.002","92.176","0.002","99.572","0.002","11351.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","palladium-thallium carbonylphosphine acetylacetonate","","","- C123.2 H99.4 O11.3 P6 Pd9 Tl -","- C122.3 H98.65 O11.3 P6 Pd9 Tl -","- C489.2 H394.6 O45.2 P24 Pd36 Tl4 -","4","2","","Mednikov, Evgueni G.; Vo, Nicky; Fry, Charles G.; Dahl, Lawrence F.","High-Yield Synthesis of PPh3-Ligated Decanuclear Tl‒Pd Cluster, Pd9[Tl(acac)](CO)9(PPh3)6: Comparative Analysis of Tl(I)‒Pd(0) Bonding Connectivities with Known Tl‒Pd Clusters and Resulting Insight Concerning Their Dissimilar Dynamic Solution Behavior","Organometallics","2012","31","7","2878","","10.1021/om201150x","","","1.54178","CuKα","","0.0657","0.0448","","","0.1331","0.1506","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077976","12.3105","0.0013","18.709","0.002","12.5383","0.0013","90","","90","","90","","2887.8","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H72 Fe4 O8 Si2 Sn2 -","- C52 H72 Fe4 O8 Si2 Sn2 -","- C104 H144 Fe8 O16 Si4 Sn4 -","2","0.25","","Zhu, Bolin; Li, Yuan; Chen, Yunfei; Shi, Wei","Reactions of SnMe2-Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl: Migration of the SnMe2Group","Organometallics","2012","31","8","3035","","10.1021/om201151c","","","0.71073","MoKα","","0.0252","0.0215","","","0.0542","0.0572","","","","","","1.035","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077977","10.2768","0.0012","10.9217","0.0013","15.2369","0.0019","71.693","0.002","76.019","0.002","68.965","0.002","1499.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H72 Fe4 O8 Si2 Sn2 -","- C52 H72 Fe4 O8 Si2 Sn2 -","- C52 H72 Fe4 O8 Si2 Sn2 -","1","0.5","","Zhu, Bolin; Li, Yuan; Chen, Yunfei; Shi, Wei","Reactions of SnMe2-Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl: Migration of the SnMe2Group","Organometallics","2012","31","8","3035","","10.1021/om201151c","","","0.71073","MoKα","","0.0479","0.034","","","0.0762","0.1053","","","","","","1.075","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077978","18.851","0.003","8.6931","0.0013","13.46","0.002","90","","106.384","0.002","90","","2116.2","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Fe2 Ge O4 Sn -","- C18 H20 Fe2 Ge O4 Sn -","- C72 H80 Fe8 Ge4 O16 Sn4 -","4","0.5","","Zhu, Bolin; Li, Yuan; Chen, Yunfei; Shi, Wei","Reactions of SnMe2-Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl: Migration of the SnMe2Group","Organometallics","2012","31","8","3035","","10.1021/om201151c","","","0.71073","MoKα","","0.018","0.0159","","","0.0397","0.0408","","","","","","1.056","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077979","9.1782","0.0019","12.419","0.003","9.2376","0.0019","90","","93.203","0.003","90","","1051.3","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 Fe2 Ge O4 Sn -","- C18 H20 Fe2 Ge O4 Sn -","- C36 H40 Fe4 Ge2 O8 Sn2 -","2","1","","Zhu, Bolin; Li, Yuan; Chen, Yunfei; Shi, Wei","Reactions of SnMe2-Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl: Migration of the SnMe2Group","Organometallics","2012","31","8","3035","","10.1021/om201151c","","","0.71073","MoKα","","0.014","0.0135","","","0.0302","0.0304","","","","","","1.051","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077980","11.2394","0.0003","14.3881","0.0003","15.1528","0.0003","79.185","0.0013","88.732","0.0013","85.516","0.001","2399.45","0.09","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C56 H50 B F4 Fe N2 O P2 -","- C56 H50 B F4 Fe N2 O P2 -","- C112 H100 B2 F8 Fe2 N4 O2 P4 -","2","1","","Prokopchuk, Demyan E.; Sonnenberg, Jessica F.; Meyer, Nils; Zimmer-De Iuliis, Marco; Lough, Alan J.; Morris, Robert H.","Spectroscopic and DFT Study of Ferraaziridine Complexes Formed in the Transfer Hydrogenation of Acetophenone Catalyzed Usingtrans-[Fe(CO)(NCMe)(PPh2C6H4CH═NCH2−)2-κ4P,N,N,P](BF4)2","Organometallics","2012","31","8","3056","","10.1021/om201170f","","","0.71073","MoKα","","0.1131","0.0675","","","0.1713","0.2009","","","","","","1.05","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077981","6.5377","0.0003","7.7434","0.0003","11.4131","0.0005","83.868","0.002","75.662","0.002","78.727","0.002","547.94","0.04","180","2","180","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C6 Fe2 O6 S2 -","- C6 Fe2 O6 S2 -","- C12 Fe4 O12 S4 -","2","1","","Farrugia, Louis J.; Evans, Cameron; Senn, Hans Martin; Hänninen, Mikko M.; Sillanpää, Reijo","QTAIM View of Metal‒Metal Bonding in Di- and Trinuclear Disulfido Carbonyl Clusters","Organometallics","2012","31","7","2559","","10.1021/om2011744","","x-ray","0.71073","MoKα","","0.0209","0.0178","","","0.0462","0.0476","","","","","","0.929","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077982","6.6959","0.0002","9.0603","0.0003","13.0139","0.0004","93.758","0.002","94.46","0.002","111.078","0.002","730.74","0.04","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 Fe3 O9 S2 -","- C9 Fe3 O9 S2 -","- C18 Fe6 O18 S4 -","2","1","","Farrugia, Louis J.; Evans, Cameron; Senn, Hans Martin; Hänninen, Mikko M.; Sillanpää, Reijo","QTAIM View of Metal‒Metal Bonding in Di- and Trinuclear Disulfido Carbonyl Clusters","Organometallics","2012","31","7","2559","","10.1021/om2011744","","x-ray","0.71073","MoKα","","0.0197","0.0174","","","","0.0197","","","","","","2.582","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077983","6.7549","0.0001","9.9824","0.0001","17.0218","0.0002","90","","90","","90","","1147.78","0.02","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 Mn2 O7 S2 -","- C7 Mn2 O7 S2 -","- C28 Mn8 O28 S8 -","4","1","","Farrugia, Louis J.; Evans, Cameron; Senn, Hans Martin; Hänninen, Mikko M.; Sillanpää, Reijo","QTAIM View of Metal‒Metal Bonding in Di- and Trinuclear Disulfido Carbonyl Clusters","Organometallics","2012","31","7","2559","","10.1021/om2011744","","x-ray","0.71073","MoKα","","0.0115","0.0106","","","","0.0112","","","","","","1.47","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077984","7.9801","0.0001","9.4189","0.0001","16.1198","0.0001","91.3361","0.0004","103.439","0.0004","97.8862","0.0004","1165.38","0.02","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H15 Fe2 O5 P S2 -","- C23 H15 Fe2 O5 P S2 -","- C46 H30 Fe4 O10 P2 S4 -","2","1","","Farrugia, Louis J.; Evans, Cameron; Senn, Hans Martin; Hänninen, Mikko M.; Sillanpää, Reijo","QTAIM View of Metal‒Metal Bonding in Di- and Trinuclear Disulfido Carbonyl Clusters","Organometallics","2012","31","7","2559","","10.1021/om2011744","","x-ray","0.71073","MoKα","","0.0229","0.0159","","","","0.0138","","","","","","1.661","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077985","15.859","0.003","9.916","0.002","22.835","0.005","90","","98.16","0.03","90","","3554.6","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H58 B20 P2 -","- C20 H58 B20 P2 -","- C80 H232 B80 P8 -","4","1","","Fey, Natalie; Haddow, Mairi F.; Mistry, Rakesh; Norman, Nicholas C.; Orpen, A. Guy; Reynolds, Timothy J.; Pringle, Paul G.","Regioselective B-Cyclometalation of a Bulkyo-Carboranyl Phosphine and the Unexpected Formation of a Dirhodium(II) Complex","Organometallics","2012","31","7","2907","","10.1021/om201198s","","","0.71073","MoKα","","0.0821","0.0634","","","0.1408","0.1525","","","","","","1.097","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077986","10.6627","0.0008","14.668","0.0012","14.6944","0.0011","102.288","0.002","109.124","0.001","107.29","0.001","1946.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H56 B20 Cl2 P2 Pd2 -","- C20 H56 B20 Cl2 P2 Pd2 -","- C40 H112 B40 Cl4 P4 Pd4 -","2","1","","Fey, Natalie; Haddow, Mairi F.; Mistry, Rakesh; Norman, Nicholas C.; Orpen, A. Guy; Reynolds, Timothy J.; Pringle, Paul G.","Regioselective B-Cyclometalation of a Bulkyo-Carboranyl Phosphine and the Unexpected Formation of a Dirhodium(II) Complex","Organometallics","2012","31","7","2907","","10.1021/om201198s","","","0.71073","MoKα","","0.1142","0.0655","","","0.1581","0.1796","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077987","9.9818","0.0007","19.5741","0.0016","14.1865","0.0012","90","","105.474","0.004","90","","2671.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H43 B10 Cl P2 Pd -","- C16 H43 B10 Cl P2 Pd -","- C64 H172 B40 Cl4 P8 Pd4 -","4","1","","Fey, Natalie; Haddow, Mairi F.; Mistry, Rakesh; Norman, Nicholas C.; Orpen, A. Guy; Reynolds, Timothy J.; Pringle, Paul G.","Regioselective B-Cyclometalation of a Bulkyo-Carboranyl Phosphine and the Unexpected Formation of a Dirhodium(II) Complex","Organometallics","2012","31","7","2907","","10.1021/om201198s","","","0.71073","MoKα","","0.0566","0.0362","","","0.0612","0.0647","","","","","","0.956","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077988","9.3679","0.0007","35.724","0.004","14.6186","0.0013","90","","96.157","0.007","90","","4864","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30.75 H66 B20 Cl2 O2 P2 Rh2 -","- C30.75 H66 B20 Cl2 O2 P2 Rh2 -","- C123 H264 B80 Cl8 O8 P8 Rh8 -","4","1","","Fey, Natalie; Haddow, Mairi F.; Mistry, Rakesh; Norman, Nicholas C.; Orpen, A. Guy; Reynolds, Timothy J.; Pringle, Paul G.","Regioselective B-Cyclometalation of a Bulkyo-Carboranyl Phosphine and the Unexpected Formation of a Dirhodium(II) Complex","Organometallics","2012","31","7","2907","","10.1021/om201198s","","","0.71073","MoKα","","0.0334","0.026","","","0.0561","0.0585","","","","","","1.064","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077989","9.61","0.004","33.242","0.014","14.348","0.006","90","","98.2","0.02","90","","4537","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H64 B20 Cl2 O3 P2 Rh2 -","- C26 H64 B20 Cl2 O3 P2 Rh2 -","- C104 H256 B80 Cl8 O12 P8 Rh8 -","4","1","","Fey, Natalie; Haddow, Mairi F.; Mistry, Rakesh; Norman, Nicholas C.; Orpen, A. Guy; Reynolds, Timothy J.; Pringle, Paul G.","Regioselective B-Cyclometalation of a Bulkyo-Carboranyl Phosphine and the Unexpected Formation of a Dirhodium(II) Complex","Organometallics","2012","31","7","2907","","10.1021/om201198s","","","0.71073","MoKα","","0.1567","0.0608","","","0.105","0.1325","","","","","","0.975","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077990","9.821","0.005","26.348","0.014","17.811","0.009","90","","102.823","0.009","90","","4494","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H57 B20 Cl5 O2 P2 Rh2 -","- C23 H57 B20 Cl5 O2 P2 Rh2 -","- C92 H228 B80 Cl20 O8 P8 Rh8 -","4","1","","Fey, Natalie; Haddow, Mairi F.; Mistry, Rakesh; Norman, Nicholas C.; Orpen, A. Guy; Reynolds, Timothy J.; Pringle, Paul G.","Regioselective B-Cyclometalation of a Bulkyo-Carboranyl Phosphine and the Unexpected Formation of a Dirhodium(II) Complex","Organometallics","2012","31","7","2907","","10.1021/om201198s","","","0.71073","MoKα","","0.0841","0.0481","","","0.102","0.1153","","","","","","0.955","","","","has coordinates,has disorder","178668","2020-10-21","18:00:00",""
"4077991","16.043","0.0005","15.8195","0.0005","16.6513","0.0005","90","","106.478","0.002","90","","4052.4","0.2","90","2","90","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 Cl2 Ge N2 O P Ru S4 -","- C40 H43 Cl2 Ge N2 O P Ru S4 -","- C160 H172 Cl8 Ge4 N8 O4 P4 Ru4 S16 -","4","1","","Boyd, Peter D. W.; Hart, Michael C.; Pritzwald-Stegmann, Julian R. F.; Roper, Warren R.; Wright, L. James","Selective Substitution of One of the Substituents on Germanium in Coordinatively Unsaturated Ruthenium Germyl Complexes","Organometallics","2012","31","7","2914","","10.1021/om201239a","","","0.71073","MoKα","","0.0789","0.0422","","","0.0844","0.0964","","","","","","1.004","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077992","10.6616","0.0002","16.7869","0.0003","24.0182","0.0004","90","","100.641","0.001","90","","4224.74","0.13","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Ge N O2 P Ru S2 -","- C46 H46 Ge N O2 P Ru S2 -","- C184 H184 Ge4 N4 O8 P4 Ru4 S8 -","4","1","","Boyd, Peter D. W.; Hart, Michael C.; Pritzwald-Stegmann, Julian R. F.; Roper, Warren R.; Wright, L. James","Selective Substitution of One of the Substituents on Germanium in Coordinatively Unsaturated Ruthenium Germyl Complexes","Organometallics","2012","31","7","2914","","10.1021/om201239a","","","0.71073","MoKα","","0.0323","0.0241","","","0.0563","0.0601","","","","","","1.025","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077993","36.9885","0.0009","12.5842","0.0003","26.2957","0.0006","90","","94.613","0.002","90","","12200.2","0.5","90","2","90","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C64.5 H63 Cl2.38 Ge N O P2 Ru S2 -","- C64.5 H63 Cl2.354 Ge N O P2 Ru S2 -","- C516 H504 Cl18.832 Ge8 N8 O8 P16 Ru8 S16 -","8","1","","Boyd, Peter D. W.; Hart, Michael C.; Pritzwald-Stegmann, Julian R. F.; Roper, Warren R.; Wright, L. James","Selective Substitution of One of the Substituents on Germanium in Coordinatively Unsaturated Ruthenium Germyl Complexes","Organometallics","2012","31","7","2914","","10.1021/om201239a","","","0.71073","MoKα","","0.1389","0.063","","","0.1186","0.1385","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077994","12.9682","0.0002","21.4121","0.0004","18.507","0.0003","90","","95.829","0.001","90","","5112.39","0.15","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H53 Cl3 Ge O P2 Ru -","- C59 H53 Cl3 Ge O P2 Ru -","- C236 H212 Cl12 Ge4 O4 P8 Ru4 -","4","1","","Boyd, Peter D. W.; Hart, Michael C.; Pritzwald-Stegmann, Julian R. F.; Roper, Warren R.; Wright, L. James","Selective Substitution of One of the Substituents on Germanium in Coordinatively Unsaturated Ruthenium Germyl Complexes","Organometallics","2012","31","7","2914","","10.1021/om201239a","","","0.71073","MoKα","","0.0544","0.035","","","0.0723","0.0793","","","","","","1.017","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077995","9.5724","0.0005","9.8981","0.0006","10.3109","0.0005","99.468","0.003","94.966","0.003","101.819","0.003","935.86","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H70 Br2 P2 Pt -","- C32 H70 Br2 P2 Pt -","- C32 H70 Br2 P2 Pt -","1","0.5","","Dub, Pavel A.; Béthegnies, Aurélien; Daran, Jean-Claude; Poli, Rinaldo","Formation and Structure of a Platinum(II) Complex Containing TwotransNonstabilized Phosphorus Ylide Ligands: Evidence for Reversible Ylide Dissociation","Organometallics","2012","31","8","3081","","10.1021/om2012453","","","0.71073","MoKα","","0.078","0.0642","","","0.1641","0.1771","","","","","","1.088","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077996","16.7705","0.0012","17.5056","0.0015","16.2008","0.0012","90","","90","","90","","4756.2","0.6","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Br Sn -","- C30 H23 Br Sn -","- C240 H184 Br8 Sn8 -","8","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.0359","","","","0.0783","","","","","","1.125","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077997","9.127","0.002","16.587","0.004","14.9","0.003","90","","93.06","0.013","90","","2252.5","0.9","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br Cl Sn -","- C24 H18 Br Cl Sn -","- C96 H72 Br4 Cl4 Sn4 -","4","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.0753","","","","0.253","","","","","","1.104","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077998","10.073","0.005","11.839","0.004","12.381","0.006","90.697","0.01","109.926","0.012","95.247","0.009","1380.8","1.1","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 Br2 Sn -","- C36 H26 Br2 Sn -","- C72 H52 Br4 Sn2 -","2","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.0512","","","","0.1396","","","","","","1.087","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077999","12.467","0.003","9.2962","0.0018","26.334","0.006","90","","91.477","0.006","90","","3051","1.2","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Br2 Sn -","- C38 H30 Br2 Sn -","- C152 H120 Br8 Sn4 -","4","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.0504","","","","0.1635","","","","","","1.152","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4078000","7.601","0.003","15.347","0.007","16.066","0.007","102.2","0.011","92.613","0.01","100.486","0.01","1794.3","1.3","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 Br3 Sn -","- C44 H43 Br3 Sn -","- C88 H86 Br6 Sn2 -","2","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.0633","","","","0.1564","","","","","","1.225","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078001","7.198","0.006","10.31","0.007","18.692","0.014","81.51","0.03","87.91","0.02","74.413","0.015","1321.5","1.7","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br2 Cl2 O Sn -","- C28 H24 Br2 Cl2 O Sn -","- C56 H48 Br4 Cl4 O2 Sn2 -","2","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.0498","","","","0.1443","","","","","","1.127","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078002","8.601","0.004","11.173","0.005","12.711","0.008","75.78","0.04","85.23","0.06","68.82","0.05","1104.1","1.1","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Br Cl2 O Sn -","- C23 H23 Br Cl2 O Sn -","- C46 H46 Br2 Cl4 O2 Sn2 -","2","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.1005","","","","0.363","","","","","","1.377","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078003","24.153","0.0006","24.153","0.0006","16.6932","0.0008","90","","90","","120","","8433.6","0.5","100","2","100","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C43 H63 Au Cl2 F6 N2 P3 Sb -","- C43 H63 Au Cl2 F6 N2 P3 Sb -","- C258 H378 Au6 Cl12 F36 N12 P18 Sb6 -","6","0.5","","Townsend, Nell S.; Green, Michael; Russell, Christopher A.","Cationic Gold(I) Complexes of 2,4,6-Tri-tert-butyl-1,3,5-triphosphabenzene","Organometallics","2012","31","7","2543","","10.1021/om201265n","","","0.71073","MoKα","","0.0972","0.0646","","","0.1738","0.1976","","","","","","1.063","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078004","12.9395","0.0003","13.1635","0.0003","14.1076","0.0004","80.828","0.001","87.791","0.001","64.854","0.001","2146.25","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H56 Au Cl2 F6 P4 Sb -","- C36 H56 Au Cl2 F6 P4 Sb -","- C72 H112 Au2 Cl4 F12 P8 Sb2 -","2","1","","Townsend, Nell S.; Green, Michael; Russell, Christopher A.","Cationic Gold(I) Complexes of 2,4,6-Tri-tert-butyl-1,3,5-triphosphabenzene","Organometallics","2012","31","7","2543","","10.1021/om201265n","","","0.71073","MoKα","","0.0324","0.027","","","0.0609","0.0633","","","","","","1.026","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078005","23.8478","0.0011","15.9582","0.0008","14.1111","0.0007","90","","102.063","0.001","90","","5251.6","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H76 Al2 B2 Mg2 N12 -","- C45 H76 Al2 B2 Mg2 N12 -","- C180 H304 Al8 B8 Mg8 N48 -","4","1","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.05","0.0431","","","0.1176","0.1234","","","","","","1.027","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078006","19.1953","0.0002","13.3301","0.0007","7.803","0.0005","90","","90","","90","","1996.59","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H25 B Mg N6 -","- C16 H25 B Mg N6 -","- C64 H100 B4 Mg4 N24 -","4","0.5","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0729","0.0677","","","0.1494","0.1515","","","","","","1.356","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078007","22.402","0.004","22.402","0.004","22.402","0.004","90","","90","","90","","11242","3","123","2","123","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C25 H43 B Mg N6 -","- C25 H43 B Mg N6 -","- C400 H688 B16 Mg16 N96 -","16","0.333333","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0345","0.0297","","","0.0761","0.0806","","","","","","1.064","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078008","8.2803","0.0012","15.095","0.002","15.892","0.003","80.445","0.013","83.399","0.012","87.613","0.012","1945.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 Mg O2 -","- C19 H34 Mg O2 -","- C76 H136 Mg4 O8 -","4","2","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.1233","0.0853","","","0.2001","0.222","","","","","","1.056","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078009","13.1949","0.0008","13.1949","0.0008","32.321","0.003","90","","90","","120","","4873.4","0.6","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H60 Al3 Ba K -","- C24 H60 Al3 Ba K -","- C144 H360 Al18 Ba6 K6 -","6","0.333333","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0411","0.0394","","","0.1033","0.1041","","","","","","1.19","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078010","7.3108","0.0004","7.3108","0.0004","17.6876","0.0013","90","","90","","120","","818.71","0.09","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C8 H20 Al K -","- C8 H20 Al K -","- C24 H60 Al3 K3 -","3","0.5","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0229","0.0223","","","0.0558","0.0561","","","","","","1.173","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078011","18.6952","0.001","13.6002","0.0007","20.7781","0.0011","90","","97.601","0.001","90","","5236.6","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H56 B2 Ca N12 -","- C60 H56 B2 Ca N12 -","- C240 H224 B8 Ca4 N48 -","4","0.5","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0413","0.0338","","","0.0848","0.0896","","","","","","1.037","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078012","10.4073","0.0013","11.6229","0.0016","17.287","0.002","95.408","0.01","96.536","0.01","111.819","0.01","1907.4","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H56 B Ba N7 O2 Si2 -","- C29 H56 B Ba N7 O2 Si2 -","- C58 H112 B2 Ba2 N14 O4 Si4 -","2","1","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0832","0.0659","","","0.1016","0.106","","","","","","1.214","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078013","11.4001","0.0006","14.0634","0.0006","15.5159","0.0009","90","","93.681","0.005","90","","2482.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 O7 P Pd S -","- C23 H29 O7 P Pd S -","- C92 H116 O28 P4 Pd4 S4 -","4","1","","Neuwald, Boris; Ölscher, Franz; Göttker-Schnetmann, Inigo; Mecking, Stefan","Limits of Activity: Weakly Coordinating Ligands in Arylphosphinesulfonato Palladium(II) Polymerization Catalysts","Organometallics","2012","31","8","3128","","10.1021/om3000339","","","0.71073","MoKα","","0.0346","0.027","","","0.0571","0.0594","","","","","","1.046","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078014","12.0993","0.0008","12.0348","0.0008","13.4363","0.0008","77.079","0.005","69.231","0.005","75.256","0.005","1749.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 O6 P2 Pd S -","- C33 H48 O6 P2 Pd S -","- C66 H96 O12 P4 Pd2 S2 -","2","1","","Neuwald, Boris; Ölscher, Franz; Göttker-Schnetmann, Inigo; Mecking, Stefan","Limits of Activity: Weakly Coordinating Ligands in Arylphosphinesulfonato Palladium(II) Polymerization Catalysts","Organometallics","2012","31","8","3128","","10.1021/om3000339","","","0.71073","MoKα","","0.0581","0.0394","","","0.0759","0.0811","","","","","","0.986","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078015","14.2186","0.0005","10.622","0.0005","29.5485","0.0012","90","","115.328","0.003","90","","4033.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 Cl3 O6 P2 Pd S -","- C40 H37 Cl3 O6 P2 Pd S -","- C160 H148 Cl12 O24 P8 Pd4 S4 -","4","1","","Neuwald, Boris; Ölscher, Franz; Göttker-Schnetmann, Inigo; Mecking, Stefan","Limits of Activity: Weakly Coordinating Ligands in Arylphosphinesulfonato Palladium(II) Polymerization Catalysts","Organometallics","2012","31","8","3128","","10.1021/om3000339","","","0.71073","MoKα","","0.0647","0.0459","","","0.0971","0.1036","","","","","","1.033","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078016","11.592","0.002","16.191","0.003","20.505","0.004","90","","92.07","0.03","90","","3846","1.2","198","","198","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 Au2 N14 O2 -","- C34 H44 Au2 N14 O2 -","- C136 H176 Au8 N56 O8 -","4","0.5","","Poethig, Alexander; Strassner, Thomas","Triazinone-Bridged Neutral Dinuclear Gold(I)-NHC Complex","Organometallics","2012","31","8","3431","","10.1021/om3000345","","x-ray","0.71073","MoKα","","0.0558","0.0365","","","0.0686","0.0723","","","","","","1.054","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078017","11.994","0.0009","13.134","0.0011","15.5174","0.0013","88.399","0.004","82.988","0.004","87.902","0.005","2423.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H142 La2 N4 O4 -","- C106 H142 La2 N4 O4 -","- C106 H142 La2 N4 O4 -","1","0.5","","Zhang, Jie; Qiu, Jinshui; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy Ligands and Their Catalytic Activity for the Polymerization of Lactides","Organometallics","2012","31","8","3138","","10.1021/om300036a","","","0.71075","MoKα","","0.119","0.0883","","","0.1928","0.2137","","","","","","1.055","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078018","11.9744","0.001","13.1231","0.0011","15.3787","0.0014","88.044","0.005","82.648","0.005","88.124","0.005","2394.4","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H142 N4 Nd2 O4 -","- C106 H142 N4 Nd2 O4 -","- C106 H142 N4 Nd2 O4 -","1","0.5","","Zhang, Jie; Qiu, Jinshui; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy Ligands and Their Catalytic Activity for the Polymerization of Lactides","Organometallics","2012","31","8","3138","","10.1021/om300036a","","","0.71075","MoKα","","0.0763","0.0637","","","0.1416","0.1493","","","","","","1.08","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078019","12.437","0.0007","20.8532","0.0011","15.5541","0.0009","90","","110.397","0.001","90","","3781","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H110 La2 N4 O4 Si4 -","- C70 H94 La2 N4 O4 Si4 -","- C140 H188 La4 N8 O8 Si8 -","2","0.5","","Zhang, Jie; Qiu, Jinshui; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy Ligands and Their Catalytic Activity for the Polymerization of Lactides","Organometallics","2012","31","8","3138","","10.1021/om300036a","","","0.71075","MoKα","","0.0662","0.0576","","","0.1346","0.1398","","","","","","1.109","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078020","12.3331","0.0009","20.8502","0.0014","15.5922","0.0012","90","","110.702","0.002","90","","3750.6","0.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H110 N4 Nd2 O4 Si4 -","- C70 H94 N4 Nd2 O4 Si4 -","- C140 H188 N8 Nd4 O8 Si8 -","2","0.5","","Zhang, Jie; Qiu, Jinshui; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy Ligands and Their Catalytic Activity for the Polymerization of Lactides","Organometallics","2012","31","8","3138","","10.1021/om300036a","","","0.71075","MoKα","","0.0529","0.0449","","","0.1015","0.1062","","","","","","1.118","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078021","12.3059","0.0012","20.8517","0.0015","15.6013","0.0014","90","","110.752","0.002","90","","3743.6","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H110 N4 O4 Si4 Sm2 -","- C70 H94 N4 O4 Si4 Sm2 -","- C140 H188 N8 O8 Si8 Sm4 -","2","0.5","","Zhang, Jie; Qiu, Jinshui; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy Ligands and Their Catalytic Activity for the Polymerization of Lactides","Organometallics","2012","31","8","3138","","10.1021/om300036a","","","0.71075","MoKα","","0.0633","0.0532","","","0.1117","0.1166","","","","","","1.145","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078022","10.0939","0.0016","14.244","0.003","15.441","0.003","108.887","0.003","92.534","0.003","101.661","0.003","2042.7","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H120 La2 N6 O4 Si4 -","- C74 H104 La2 N6 O4 Si4 -","- C74 H104 La2 N6 O4 Si4 -","1","0.5","","Zhang, Jie; Qiu, Jinshui; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy Ligands and Their Catalytic Activity for the Polymerization of Lactides","Organometallics","2012","31","8","3138","","10.1021/om300036a","","","0.71075","MoKα","","0.0555","0.0476","","","0.1197","0.1246","","","","","","1.071","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078023","10.1002","0.0012","14.162","0.002","15.343","0.002","108.345","0.002","92.086","0.002","102.169","0.002","2023.8","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H120 N6 Nd2 O4 Si4 -","- C74 H104 N6 Nd2 O4 Si4 -","- C74 H104 N6 Nd2 O4 Si4 -","1","0.5","","Zhang, Jie; Qiu, Jinshui; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy Ligands and Their Catalytic Activity for the Polymerization of Lactides","Organometallics","2012","31","8","3138","","10.1021/om300036a","","","0.71075","MoKα","","0.0449","0.0403","","","0.1011","0.1042","","","","","","1.074","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078024","23.395","0.007","9.136","0.002","21.741","0.006","90","","103.653","0.003","90","","4516","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 B Cl2 P3 -","- C55 H44 B Cl2 P3 -","- C220 H176 B4 Cl8 P12 -","4","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction","Organometallics","2012","31","8","3155","","10.1021/om3000423","","","0.7107","MoKα","","0.0895","0.0754","","","0.1541","0.1606","","","","","","1.202","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078025","13.09","0.002","17.27","0.003","19.61","0.003","90","","96.43","0.002","90","","4405.2","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 B O P3 Rh -","- C55 H43 B O P3 Rh -","- C220 H172 B4 O4 P12 Rh4 -","4","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction","Organometallics","2012","31","8","3155","","10.1021/om3000423","","","0.7107","MoKα","","0.1008","0.0821","","","0.1847","0.199","","","","","","1.199","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078026","12.262","0.002","13.88","0.003","17.753","0.004","104.11","0.004","91.71","0.004","107.707","0.005","2773.8","1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H48 B2 Cl6 F4 O P3 Rh -","- C58 H48 B2 Cl6 F4 O P3 Rh -","- C116 H96 B4 Cl12 F8 O2 P6 Rh2 -","2","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction","Organometallics","2012","31","8","3155","","10.1021/om3000423","","","0.7107","MoKα","","0.116","0.0825","","","0.2179","0.2349","","","","","","1.075","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078027","12.3787","0.0005","19.3806","0.0009","21.4296","0.001","90","","91.619","0.003","90","","5139.1","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H53 B F4 O2 P3 Rh -","- C59 H53 B F4 O2 P3 Rh -","- C236 H212 B4 F16 O8 P12 Rh4 -","4","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction","Organometallics","2012","31","8","3155","","10.1021/om3000423","","","0.7107","MoKα","","0.0796","0.0691","","","0.1687","0.1755","","","","","","1.135","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078028","13.947","0.003","14.296","0.003","19.759","0.004","88.517","0.004","88.374","0.004","97.966","0.005","3898.3","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H101 K O11 P3 Rh -","- C83 H101 K O11 P3 Rh -","- C166 H202 K2 O22 P6 Rh2 -","2","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction","Organometallics","2012","31","8","3155","","10.1021/om3000423","","","0.7107","MoKα","","0.0787","0.0658","","","0.156","0.1642","","","","","","1.077","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078029","42.511","0.003","11.9549","0.0007","21.7612","0.0015","90","","108.636","0.003","90","","10479.5","1.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H58 B P4 Rh -","- C63 H58 B P4 Rh -","- C504 H464 B8 P32 Rh8 -","8","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction","Organometallics","2012","31","8","3155","","10.1021/om3000423","","","0.7107","MoKα","","0.088","0.068","","","0.1437","0.1516","","","","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078030","26.936","0.002","14.505","0.0009","26.8422","0.0019","90","","98.819","0.004","90","","10363.4","1.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C112 B K O20 P4 Rh -","- C112 B K O20 P4 Rh -","- C448 B4 K4 O80 P16 Rh4 -","4","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Rhodaboratranes Bearing Phosphine-Tethered Boranes: Evaluation of the Metal‒Boron Interaction","Organometallics","2012","31","8","3155","","10.1021/om3000423","","","0.7107","MoKα","","0.171","0.164","","","0.4275","0.436","","","","","","1.954","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078031","9.711","0.008","9.862","0.008","21.302","0.018","83.024","0.01","76.924","0.01","82.917","0.01","1963","3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 O5 P3 W -","- C45 H39 O5 P3 W -","- C90 H78 O10 P6 W2 -","2","1","","Kyran, Samuel J.; Muhammad, Sohail; Knestrick, Matthew; Bengali, Ashfaq A.; Darensbourg, Donald J.","Photochemically Generated Transients from κ2- and κ3-Triphos Derivatives of Group 6 Metal Carbonyls and Their Reactivity with Olefins","Organometallics","2012","31","8","3163","","10.1021/om300044k","","","0.71073","MoKα","","0.0957","0.0635","","","0.1705","0.2043","","","","","","1.084","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078032","9.735","0.006","9.906","0.006","21.266","0.013","82.99","0.007","76.863","0.007","83.283","0.007","1974","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 Mo O5 P3 -","- C45 H39 Mo O5 P3 -","- C90 H78 Mo2 O10 P6 -","2","1","","Kyran, Samuel J.; Muhammad, Sohail; Knestrick, Matthew; Bengali, Ashfaq A.; Darensbourg, Donald J.","Photochemically Generated Transients from κ2- and κ3-Triphos Derivatives of Group 6 Metal Carbonyls and Their Reactivity with Olefins","Organometallics","2012","31","8","3163","","10.1021/om300044k","","","0.71073","MoKα","","0.0549","0.04","","","0.0946","0.1021","","","","","","1.067","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078033","16.9778","0.0006","18.8108","0.0007","10.5559","0.0004","90","","90","","90","","3371.2","0.2","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C24 H38 Cl2 Cu F6 N7 O P2 -","- C24 H38 Cl2 Cu F6 N7 O P2 -","- C96 H152 Cl8 Cu4 F24 N28 O4 P8 -","4","1","","Tazelaar, Cornelis G. J.; Lyaskovskyy, Volodymyr; Dijk, Tom van; Broere, Daniël L. J.; Kolfschoten, Ludo A.; Khiar, Rima Osman Hassan; Lutz, Martin; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphine Oxides. Synthesis and Coordination Chemistry with Copper(I)","Organometallics","2012","31","8","3308","","10.1021/om300051f","","","0.71073","MoKα","","0.0337","0.0326","","","0.0925","0.0936","","","","","","1.023","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078034","8.612","0.0003","23.4829","0.0009","17.3556","0.0006","90","","109.357","0.002","90","","3311.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cu F6 N7 O P2 -","- C32 H30 Cu F6 N7 O P2 -","- C128 H120 Cu4 F24 N28 O4 P8 -","4","1","","Tazelaar, Cornelis G. J.; Lyaskovskyy, Volodymyr; Dijk, Tom van; Broere, Daniël L. J.; Kolfschoten, Ludo A.; Khiar, Rima Osman Hassan; Lutz, Martin; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphine Oxides. Synthesis and Coordination Chemistry with Copper(I)","Organometallics","2012","31","8","3308","","10.1021/om300051f","","","0.71073","MoKα","","0.0337","0.0294","","","0.0761","0.0795","","","","","","1.032","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078035","11.0739","0.0003","12.6624","0.0003","15.9619","0.0002","102.223","0.001","106.463","0.001","91.278","0.001","2089.69","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H40 Cl4 Cu F6 N6 O P3 -","- C35 H40 Cl4 Cu F6 N6 O P3 -","- C70 H80 Cl8 Cu2 F12 N12 O2 P6 -","2","1","","Tazelaar, Cornelis G. J.; Lyaskovskyy, Volodymyr; Dijk, Tom van; Broere, Daniël L. J.; Kolfschoten, Ludo A.; Khiar, Rima Osman Hassan; Lutz, Martin; Slootweg, J. Chris; Lammertsma, Koop","Tris(pyrazolyl)phosphine Oxides. Synthesis and Coordination Chemistry with Copper(I)","Organometallics","2012","31","8","3308","","10.1021/om300051f","","","0.71073","MoKα","","0.0409","0.0349","","","0.0887","0.0937","","","","","","1.032","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078036","37.7276","0.001","12.0382","0.0003","14.8599","0.0004","90","","108.999","0.003","90","","6381.3","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C35 H40 Cl2 N2 O Ru -","- C35 H40 Cl2 N2 O Ru -","- C280 H320 Cl16 N16 O8 Ru8 -","8","2","","Barbasiewicz, Michał; Grudzień, Krzysztof; Malinska, Maura","A Missing Relative: A Hoveyda‒Grubbs Metathesis Catalyst Bearing a Peri-Substituted Naphthalene Framework","Organometallics","2012","31","8","3171","","10.1021/om300052b","","","0.71073","","","0.0388","0.0352","","","0.0956","0.0972","","","","","","1.202","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078037","4.9018","0.0003","7.7798","0.0005","21.9948","0.0016","90","","90","","90","","838.77","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Barbasiewicz, Michał; Grudzień, Krzysztof; Malinska, Maura","A Missing Relative: A Hoveyda‒Grubbs Metathesis Catalyst Bearing a Peri-Substituted Naphthalene Framework","Organometallics","2012","31","8","3171","","10.1021/om300052b","","","0.71073","MoKα","","0.0365","0.0293","","","0.069","0.0721","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078038","12.789","0.005","20.362","0.005","17.377","0.005","90","","94.277","0.005","90","","4513","2","100","","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex-2","","","- C84 H136 Ba2 I2 K2 N4 O8 -","- C84 H136 Ba2 I2 K2 N4 O8 -","- C168 H272 Ba4 I4 K4 N8 O16 -","2","0.5","","Panda, Tarun K.; Kaneko, Hiroshi; Michel, Olaf; Pal, Kuntal; Tsurugi, Hayato; Törnroos, Karl W.; Anwander, Reiner; Mashima, Kazushi","Dianion and Monoanion Ligation of 1,4-Diaza-1,3-butadiene to Barium, Strontium, and Calcium","Organometallics","2012","31","8","3178","","10.1021/om300054h","","x-ray","0.71073","MoKα","","0.1248","0.0741","","","0.1672","0.2287","","","","","","1.119","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078039","11.4776","0.0011","12.6463","0.0012","15.0886","0.0014","91.955","0.008","100.815","0.007","115.211","0.007","1930.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","complex-3","","","- C74 H110 Ba2 I2 N4 O4 -","- C74 H110 Ba2 I2 N4 O4 -","- C74 H110 Ba2 I2 N4 O4 -","1","0.5","","Panda, Tarun K.; Kaneko, Hiroshi; Michel, Olaf; Pal, Kuntal; Tsurugi, Hayato; Törnroos, Karl W.; Anwander, Reiner; Mashima, Kazushi","Dianion and Monoanion Ligation of 1,4-Diaza-1,3-butadiene to Barium, Strontium, and Calcium","Organometallics","2012","31","8","3178","","10.1021/om300054h","","","0.71073","MoKα","","0.0658","0.0473","","","0.0938","0.0992","","","","","","1.202","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078040","13.662","0.005","17.422","0.005","19.213","0.004","90","","115.621","0.017","90","","4123","2","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex-4","","","- C83 H135 N4 O8 Sr2 -","- C83 H135 N4 O8 Sr2 -","- C166 H270 N8 O16 Sr4 -","2","0.5","","Panda, Tarun K.; Kaneko, Hiroshi; Michel, Olaf; Pal, Kuntal; Tsurugi, Hayato; Törnroos, Karl W.; Anwander, Reiner; Mashima, Kazushi","Dianion and Monoanion Ligation of 1,4-Diaza-1,3-butadiene to Barium, Strontium, and Calcium","Organometallics","2012","31","8","3178","","10.1021/om300054h","","x-ray","0.71073","MoKα","","0.2126","0.0956","","","0.2312","0.2494","","","","","","1.035","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078041","9.9117","0.0006","30.9715","0.0019","16.2712","0.001","90","","99.901","0.001","90","","4920.5","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","complex-5","","","- C50 H84 Ca N2 O6 -","- C50 H84 Ca N2 O6 -","- C200 H336 Ca4 N8 O24 -","4","1","","Panda, Tarun K.; Kaneko, Hiroshi; Michel, Olaf; Pal, Kuntal; Tsurugi, Hayato; Törnroos, Karl W.; Anwander, Reiner; Mashima, Kazushi","Dianion and Monoanion Ligation of 1,4-Diaza-1,3-butadiene to Barium, Strontium, and Calcium","Organometallics","2012","31","8","3178","","10.1021/om300054h","","","0.71073","MoKα","","0.0811","0.0622","","","0.1588","0.1688","","","","","","1.083","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078042","10.2762","0.0008","11.2916","0.0009","16.744","0.0013","83.727","0.002","72.795","0.002","80.446","0.002","1826.5","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 B Ir N6 O9 -","- C34 H40 B Ir N6 O9 -","- C68 H80 B2 Ir2 N12 O18 -","2","1","","Roa, Arián E.; Salazar, Verónica; López-Serrano, Joaqu\?ín; Oñate, Enrique; Alvarado-Rodr\?íguez, José G.; Paneque, Margarita; Poveda, Manuel L.","Coupling of Aromatic Aldehydes with CO2Me-Substituted TpMe2Ir(III) Metallacyclopentadienes","Organometallics","2012","31","8","3185","","10.1021/om3000554","","","0.71073","MoKα","","0.0465","0.0362","","","0.0851","0.0988","","","","","","1.113","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078043","19.208","0.0009","20.8774","0.001","22.3156","0.0011","90","","115.476","0.001","90","","8078.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 B Ir N6 O6.5 -","- C37 H45 B Ir N6 O6.5 -","- C296 H360 B8 Ir8 N48 O52 -","8","2","","Roa, Arián E.; Salazar, Verónica; López-Serrano, Joaqu\?ín; Oñate, Enrique; Alvarado-Rodr\?íguez, José G.; Paneque, Margarita; Poveda, Manuel L.","Coupling of Aromatic Aldehydes with CO2Me-Substituted TpMe2Ir(III) Metallacyclopentadienes","Organometallics","2012","31","8","3185","","10.1021/om3000554","","","0.71073","MoKα","","0.0691","0.0508","","","0.1301","0.139","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078044","10.0506","0.0012","18.31","0.002","22.032","0.003","90","","100.479","0.003","90","","3986.8","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 B Ir N6 O10 -","- C35 H42 B Ir N6 O10 -","- C140 H168 B4 Ir4 N24 O40 -","4","1","","Roa, Arián E.; Salazar, Verónica; López-Serrano, Joaqu\?ín; Oñate, Enrique; Alvarado-Rodr\?íguez, José G.; Paneque, Margarita; Poveda, Manuel L.","Coupling of Aromatic Aldehydes with CO2Me-Substituted TpMe2Ir(III) Metallacyclopentadienes","Organometallics","2012","31","8","3185","","10.1021/om3000554","","","0.71073","MoKα","","0.0975","0.0513","","","0.1142","0.1411","","","","","","1.045","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078045","10.4342","0.0007","18.6223","0.0012","18.3236","0.0012","90","","105.63","0.0008","90","","3428.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 B Ir N7 O9 -","- C33 H39 B Ir N7 O9 -","- C132 H156 B4 Ir4 N28 O36 -","4","1","","Roa, Arián E.; Salazar, Verónica; López-Serrano, Joaqu\?ín; Oñate, Enrique; Alvarado-Rodr\?íguez, José G.; Paneque, Margarita; Poveda, Manuel L.","Coupling of Aromatic Aldehydes with CO2Me-Substituted TpMe2Ir(III) Metallacyclopentadienes","Organometallics","2012","31","8","3185","","10.1021/om3000554","","","0.71073","MoKα","","0.0359","0.026","","","0.0581","0.0625","","","","","","1.032","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078046","13.507","0.003","20.843","0.004","19.049","0.004","90","","103.087","0.005","90","","5223.5","1.9","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H55 B Cl4 Ir N7 O13 -","- C44 H55 B Cl4 Ir N7 O13 -","- C176 H220 B4 Cl16 Ir4 N28 O52 -","4","1","","Roa, Arián E.; Salazar, Verónica; López-Serrano, Joaqu\?ín; Oñate, Enrique; Alvarado-Rodr\?íguez, José G.; Paneque, Margarita; Poveda, Manuel L.","Coupling of Aromatic Aldehydes with CO2Me-Substituted TpMe2Ir(III) Metallacyclopentadienes","Organometallics","2012","31","8","3185","","10.1021/om3000554","","","0.71073","MoKα","","0.0482","0.0288","","","0.0654","0.0694","","","","","","0.953","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078047","40.649","0.005","11.7275","0.0014","17.87","0.002","90","","105.232","0.002","90","","8219.6","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H45 B Ir N7 O13 -","- C38 H45 B Ir N7 O13 -","- C304 H360 B8 Ir8 N56 O104 -","8","1","","Roa, Arián E.; Salazar, Verónica; López-Serrano, Joaqu\?ín; Oñate, Enrique; Alvarado-Rodr\?íguez, José G.; Paneque, Margarita; Poveda, Manuel L.","Coupling of Aromatic Aldehydes with CO2Me-Substituted TpMe2Ir(III) Metallacyclopentadienes","Organometallics","2012","31","8","3185","","10.1021/om3000554","","","0.71073","MoKα","","0.042","0.0277","","","0.0605","0.0663","","","","","","1.008","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078048","28.017","0.0006","8.761","0.0003","19.836","0.0006","90","","127.287","0.0012","90","","3873.7","0.2","230","0.1","230","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 Cl2 N4 O2 Si4 Ti -","- C28 H50 Cl2 N4 O2 Si4 Ti -","- C112 H200 Cl8 N16 O8 Si16 Ti4 -","4","0.5","","Aharonovich, Sinai; Botoshansky, Mark; Balazs, Yael S.; Eisen, Moris S.","Elucidation of Substituent Effects in the Polymerization of Propylene Promoted by Titanium Amidinates","Organometallics","2012","31","8","3435","","10.1021/om300068w","","","0.71073","MoKα","","0.056","0.036","","","0.0969","0.1016","","","","","","0.942","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078049","28.489","0.0005","8.804","0.0003","20.185","0.0005","90","","128.743","0.0014","90","","3948.7","0.2","230","0.1","230","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Cl2 N4 Si4 Ti -","- C30 H54 Cl2 N4 Si4 Ti -","- C120 H216 Cl8 N16 Si16 Ti4 -","4","0.5","","Aharonovich, Sinai; Botoshansky, Mark; Balazs, Yael S.; Eisen, Moris S.","Elucidation of Substituent Effects in the Polymerization of Propylene Promoted by Titanium Amidinates","Organometallics","2012","31","8","3435","","10.1021/om300068w","","","0.71073","MoKα","","0.0488","0.0325","","","0.0849","0.0884","","","","","","0.95","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078050","19.879","0.004","8.79","0.002","24.641","0.005","90","","92.1","0.02","90","","4302.8","1.6","230","2","230","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Moris-75 (Sinay)","","","- C34 H62 Cl2 N4 Si4 Ti -","- C34 H62 Cl2 N4 Si4 Ti -","- C136 H248 Cl8 N16 Si16 Ti4 -","4","0.5","","Aharonovich, Sinai; Botoshansky, Mark; Balazs, Yael S.; Eisen, Moris S.","Elucidation of Substituent Effects in the Polymerization of Propylene Promoted by Titanium Amidinates","Organometallics","2012","31","8","3435","","10.1021/om300068w","","","0.71073","MoKα","","0.0931","0.0426","","","0.0886","0.1002","","","","","","0.948","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078051","29.275","0.006","8.743","0.002","20.41","0.004","90","","130.78","0.03","90","","3956","2","240","2","240","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Moris-231(Peng)","","","- C14 H22 Cl F3 N2 Si2 Ti0.5 -","- C14 H22 Cl F3 N2 Si2 Ti0.5 -","- C112 H176 Cl8 F24 N16 Si16 Ti4 -","8","1","","Aharonovich, Sinai; Botoshansky, Mark; Balazs, Yael S.; Eisen, Moris S.","Elucidation of Substituent Effects in the Polymerization of Propylene Promoted by Titanium Amidinates","Organometallics","2012","31","8","3435","","10.1021/om300068w","","","0.71073","MoKα","","0.1367","0.0604","","","0.1323","0.1529","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078052","12.668","0.002","14.129","0.003","14.997","0.003","67.68","0.02","74.05","0.02","65.47","0.02","2237","0.9","230","1","230","0.1","","","","","","","","6","P -1","-P 1","2","titbutdim","","","- C34 H62 Cl2 N4 Si4 Ti -","- C34 H62 Cl2 N4 Si4 Ti -","- C68 H124 Cl4 N8 Si8 Ti2 -","2","1","","Aharonovich, Sinai; Botoshansky, Mark; Balazs, Yael S.; Eisen, Moris S.","Elucidation of Substituent Effects in the Polymerization of Propylene Promoted by Titanium Amidinates","Organometallics","2012","31","8","3435","","10.1021/om300068w","","","0.71073","MoKα","","0.0742","0.0402","","","0.1132","0.1247","","","","","","0.962","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078053","11.756","0.002","19.61","0.004","17.732","0.004","90","","107.44","0.03","90","","3899.9","1.5","230","2","230","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tiometdim","","","- C28 H50 Cl2 N4 O2 Si4 Ti -","- C28.8 H50 Cl2 N4 O2 Si4 Ti -","- C115.2 H200 Cl8 N16 O8 Si16 Ti4 -","4","1","","Aharonovich, Sinai; Botoshansky, Mark; Balazs, Yael S.; Eisen, Moris S.","Elucidation of Substituent Effects in the Polymerization of Propylene Promoted by Titanium Amidinates","Organometallics","2012","31","8","3435","","10.1021/om300068w","","","0.71073","MoKα","","0.0825","0.0439","","","0.1181","0.1255","","","","","","0.883","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078054","20.849","0.004","8.695","0.002","21.729","0.004","90","","97.45","0.03","90","","3905.8","1.4","230","2","230","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tioeth","","","- C30 H54 Cl2 N4 Si4 Ti -","- C30 H54 Cl2 N4 Si4 Ti -","- C120 H216 Cl8 N16 Si16 Ti4 -","4","0.5","","Aharonovich, Sinai; Botoshansky, Mark; Balazs, Yael S.; Eisen, Moris S.","Elucidation of Substituent Effects in the Polymerization of Propylene Promoted by Titanium Amidinates","Organometallics","2012","31","8","3435","","10.1021/om300068w","","","0.71073","MoKα","","0.083","0.0362","","","0.0832","0.0888","","","","","","0.814","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078055","8.5322","0.0001","13.8453","0.0004","20.3891","0.0005","90","","90","","90","","2408.58","0.1","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl F6 Ir N3 P -","- C21 H28 Cl F6 Ir N3 P -","- C84 H112 Cl4 F24 Ir4 N12 P4 -","4","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Bifunctional Mechanism with Unconventional Intermediates for the Hydrogenation of Ketones Catalyzed by an Iridium(III) Complex Containing an N-Heterocyclic Carbene with a Primary Amine Donor","Organometallics","2012","31","6","2152","","10.1021/om300071v","","","0.71073","MoKα","","0.039","0.0322","","","0.0656","0.068","","","","","","1.123","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078056","10.3727","0.0003","15.5571","0.0008","17.9983","0.0007","90","","90.939","0.003","90","","2904","0.2","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Cl F6 Ir N P2 -","- C29 H33 Cl F6 Ir N P2 -","- C116 H132 Cl4 F24 Ir4 N4 P8 -","4","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Bifunctional Mechanism with Unconventional Intermediates for the Hydrogenation of Ketones Catalyzed by an Iridium(III) Complex Containing an N-Heterocyclic Carbene with a Primary Amine Donor","Organometallics","2012","31","6","2152","","10.1021/om300071v","","","0.71073","MoKα","","0.0981","0.06","","","0.1431","0.162","","","","","","1.022","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078057","8.7118","0.0006","12.5177","0.0009","14.8188","0.001","95.229","0.003","105.119","0.003","103.237","0.003","1498.93","0.18","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 F6 Ir N3 P -","- C21 H29 F6 Ir N3 P -","- C42 H58 F12 Ir2 N6 P2 -","2","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Bifunctional Mechanism with Unconventional Intermediates for the Hydrogenation of Ketones Catalyzed by an Iridium(III) Complex Containing an N-Heterocyclic Carbene with a Primary Amine Donor","Organometallics","2012","31","6","2152","","10.1021/om300071v","","","0.71073","MoKα","","0.0428","0.0365","","","0.095","0.0976","","","","","","1.062","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078058","7.9384","0.0002","17.4723","0.0005","17.3362","0.0004","90","","100.446","0.0015","90","","2364.71","0.11","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Cl F6 Ir N3 P -","- C19 H32 Cl F6 Ir N3 P -","- C76 H128 Cl4 F24 Ir4 N12 P4 -","4","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Bifunctional Mechanism with Unconventional Intermediates for the Hydrogenation of Ketones Catalyzed by an Iridium(III) Complex Containing an N-Heterocyclic Carbene with a Primary Amine Donor","Organometallics","2012","31","6","2152","","10.1021/om300071v","","","0.71073","MoKα","","0.0479","0.0359","","","0.0858","0.0926","","","","","","1.074","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078059","9.8973","0.0009","7.4957","0.0004","21.1","0.002","90","","93.407","0.007","90","","1562.6","0.2","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C68 H80 N16 O8 -","4","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.0787","0.0449","","","0.093","0.1026","","","","","","0.904","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078060","34.6611","0.0004","34.6611","0.0004","22.335","0.0003","90","","90","","90","","26833.1","0.6","193","2","193","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C30 H43 N6 O6.5 -","- C30 H43 N6 O6.5 -","- C960 H1376 N192 O208 -","32","2","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","1.54178","CuKα","","0.1308","0.1109","","","0.3432","0.3694","","","","","","1.533","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078061","9.1607","0.0004","14.1667","0.0008","9.6108","0.0004","90","","114.902","0.003","90","","1131.3","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H26 Cl2 N4 O3 Pd -","- C19 H26 Cl2 N4 O3 Pd -","- C38 H52 Cl4 N8 O6 Pd2 -","2","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.0332","0.033","","","0.0843","0.0845","","","","","","1.022","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078062","19.6707","0.0019","12.5604","0.0015","11.856","0.003","90","","94.787","0.013","90","","2919.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 N4 O2 Ru -","- C31 H40 N4 O2 Ru -","- C124 H160 N16 O8 Ru4 -","4","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.201","0.0737","","","0.1248","0.1716","","","","","","0.747","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078063","14.2553","0.0006","17.3216","0.0007","17.9782","0.0008","101.431","0.004","102.004","0.003","91.638","0.003","4244.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H83 Ir2 N15 O4 Tl2 -","- C87 H83 Ir2 N15 O4 Tl2 -","- C174 H166 Ir4 N30 O8 Tl4 -","2","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.0976","0.0531","","","0.1156","0.1255","","","","","","0.754","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078064","8.7625","0.0006","12.9304","0.001","17.2848","0.0013","90.59","0.006","101.634","0.006","95.57","0.006","1908.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H57 Ir N4 O5 -","- C39 H57 Ir N4 O5 -","- C78 H114 Ir2 N8 O10 -","2","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.076","0.0527","","","0.1116","0.1179","","","","","","0.926","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078065","10.4679","0.0003","21.7161","0.0011","26.6018","0.001","90","","90","","90","","6047.2","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H41 Ir N4 O2 -","- C31 H41 Ir N4 O2 -","- C248 H328 Ir8 N32 O16 -","8","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.0471","0.0339","","","0.0805","0.0857","","","","","","1.015","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078066","21.5132","0.0008","14.3154","0.0003","22.558","0.0008","90","","102.434","0.003","90","","6784.2","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H42 Cl2 Ir N4 O3.5 Pd -","- C31 H42 Cl2 Ir N4 O3.5 Pd -","- C248 H336 Cl16 Ir8 N32 O28 Pd8 -","8","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.0452","0.0344","","","0.0722","0.0753","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078067","19.6169","0.0014","11.047","0.0008","16.2607","0.0011","90","","112.487","0.003","90","","3255.9","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 B F10 Li O2 S -","- C35 H28 B F10 Li O2 S -","- C140 H112 B4 F40 Li4 O8 S4 -","4","0.5","","Dahcheh, Fatme; Stephan, Douglas W.","Ruthenium and Rhodium Complexes of Thioether-Alkynylborates","Organometallics","2012","31","8","3222","","10.1021/om300075r","","","0.71073","MoKα","","0.102","0.089","","","0.1585","0.1646","","","","","","1.144","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078068","41.347","0.004","41.347","0.004","13.4355","0.0019","90","","90","","90","","22969","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C64 H43 B F10 O0.25 P2 Ru S -","- C64 H43 B F10 O0.25 P2 Ru S -","- C1024 H688 B16 F160 O4 P32 Ru16 S16 -","16","1","","Dahcheh, Fatme; Stephan, Douglas W.","Ruthenium and Rhodium Complexes of Thioether-Alkynylborates","Organometallics","2012","31","8","3222","","10.1021/om300075r","","","0.71073","MoKα","","0.0716","0.0497","","","0.1085","0.117","","","","","","1.089","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078069","15.7292","0.0016","17.8914","0.0015","19.3892","0.0019","90","","95.229","0.003","90","","5433.8","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 B F10 P2 Ru S -","- C63 H46 B F10 P2 Ru S -","- C252 H184 B4 F40 P8 Ru4 S4 -","4","1","","Dahcheh, Fatme; Stephan, Douglas W.","Ruthenium and Rhodium Complexes of Thioether-Alkynylborates","Organometallics","2012","31","8","3222","","10.1021/om300075r","","","0.71073","MoKα","","0.1142","0.0519","","","0.099","0.1213","","","","","","0.978","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078070","11.3327","0.0004","21.2938","0.0007","25.871","0.001","90","","98.809","0.001","90","","6169.5","0.4","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H57 B F10 O0 P2 Rh S -","- C71 H57 B F10 P2 Rh S -","- C284 H228 B4 F40 P8 Rh4 S4 -","4","1","","Dahcheh, Fatme; Stephan, Douglas W.","Ruthenium and Rhodium Complexes of Thioether-Alkynylborates","Organometallics","2012","31","8","3222","","10.1021/om300075r","","","0.71073","MoKα","","0.0751","0.0438","","","0.0967","0.1082","","","","","","1.013","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078071","8.6116","0.0004","18.3794","0.0011","19.3884","0.0012","90","","91.026","0.002","90","","3068.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H24 B F10 Rh S -","- C35 H24 B F10 Rh S -","- C140 H96 B4 F40 Rh4 S4 -","4","1","","Dahcheh, Fatme; Stephan, Douglas W.","Ruthenium and Rhodium Complexes of Thioether-Alkynylborates","Organometallics","2012","31","8","3222","","10.1021/om300075r","","","0.71073","MoKα","","0.0513","0.0301","","","0.0571","0.0626","","","","","","1.018","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078072","12.0518","0.0005","25.9871","0.0009","19.0097","0.0007","90","","90.876","0.001","90","","5953","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H58 B F10 P2 Rh S -","- C69 H44 B F10 P2 Rh S -","- C276 H176 B4 F40 P8 Rh4 S4 -","4","1","","Dahcheh, Fatme; Stephan, Douglas W.","Ruthenium and Rhodium Complexes of Thioether-Alkynylborates","Organometallics","2012","31","8","3222","","10.1021/om300075r","","","0.71073","MoKα","","0.0348","0.029","","","0.0727","0.0764","","","","","","1.067","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078073","9.3588","0.0004","10.8077","0.0005","10.4727","0.0005","90","","94.896","0.002","90","","1055.42","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H36 N2 O -","- C21 H36 N2 O -","- C42 H72 N4 O2 -","2","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.0332","0.0316","","","0.0812","0.0824","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078074","11.1435","0.0006","18.595","0.0011","13.8363","0.0009","90","","110.484","0.003","90","","2685.8","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H43 N3 O2 -","- C27 H43 N3 O2 -","- C108 H172 N12 O8 -","4","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.0763","0.0523","","","0.1276","0.1491","","","","","","1.038","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078075","13.4011","0.0004","17.9193","0.0006","20.5171","0.0007","90","","98.656","0.001","90","","4870.8","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H76 N4 O2 Zr -","- C49 H76 N4 O2 Zr -","- C196 H304 N16 O8 Zr4 -","4","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.066","0.0577","","","0.1169","0.12","","","","","","1.243","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078076","12.963","0.0003","13.2343","0.0004","17.9935","0.0005","72.56","0.001","86.767","0.001","76.777","0.001","2866.67","0.14","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H82 N2 O Zr -","- C66 H82 N2 O Zr -","- C132 H164 N4 O2 Zr2 -","2","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.0436","0.0321","","","0.0804","0.086","","","","","","1.029","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078077","14.3383","0.0004","16.4928","0.0004","17.3099","0.0004","90","","90","","90","","4093.42","0.18","100","2","100","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C38 H65 Hf N7 O -","- C38 H65 Hf N7 O -","- C152 H260 Hf4 N28 O4 -","4","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.0208","0.0174","","","0.0399","0.0414","","","","","","0.969","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078078","15.531","0.004","18.501","0.004","18.531","0.006","59.979","0.01","66.87","0.009","79.767","0.007","4239","2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C63 H102 Cl4 N6 O4 Zr3 -","- C63 H102 Cl4 N6 O4 Zr3 -","- C126 H204 Cl8 N12 O8 Zr6 -","2","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.1083","0.089","","","0.2462","0.2581","","","","","","1.091","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078079","32.642","0.002","18.8242","0.0011","45.503","0.003","90","","100.933","0.004","90","","27452","3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H164 Cl6 N6 O4 Zr3 -","- C117 H164 Cl6 N6 O4 Zr3 -","- C936 H1312 Cl48 N48 O32 Zr24 -","8","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.2309","0.1174","","","0.2801","0.3206","","","","","","0.936","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078080","16.165","0.0007","19.8104","0.001","27.4099","0.0012","90","","90","","90","","8777.6","0.7","100","2","100","2","","","","","","","synthesis as described","6","I 2 c b","I -2a 2","45","","","","- C43 H63 Cl3 N2 O2 Zr -","- C43 H63 Cl3 N2 O2 Zr -","- C344 H504 Cl24 N16 O16 Zr8 -","8","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.1399","0.1289","","","0.1998","0.2036","","","","","","1.363","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078081","11.5077","0.0012","20.826","0.002","28.044","0.003","106.883","0.005","101.979","0.005","92.952","0.005","6246.3","1.1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C126 H182 Cl4 N8 O4 Zr2 -","- C126 H182 Cl4 N8 O4 Zr2 -","- C252 H364 Cl8 N16 O8 Zr4 -","2","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.1056","0.0765","","","0.1849","0.2078","","","","","","1.153","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078082","51.616","0.004","13.557","0.001","25.9087","0.0019","90","","115.909","0.003","90","","16308","2","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H110 Cl2 N4 O2 Zr -","- C78 H110 Cl2 N4 O2 Zr -","- C624 H880 Cl16 N32 O16 Zr8 -","8","1","","Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands","Organometallics","2012","31","8","3228","","10.1021/om300076j","","x-ray","0.71073","MoKα","","0.1239","0.1058","","","0.2935","0.304","","","","","","1.065","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078083","18.436","0.013","9.448","0.007","21.777","0.015","90","","90","","90","","3793","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","","Hu, Ping; Qiao, Ya-Lin; Wang, Jian-Qiang; Jin, Guo-Xin","Syntheses, Characterization, and Ethylene Polymerization of Titanium Complexes with Double-Duty Tridentate [ONN] Ligands","Organometallics","2012","31","8","3241","","10.1021/om300091e","","","0.71073","MoKα","","0.1255","0.0592","","","0.1448","0.1899","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078084","10.188","0.003","17.884","0.005","13.481","0.004","90","","110.721","0.004","90","","2297.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl3 N2 O Ti -","- C22 H23 Cl3 N2 O Ti -","- C88 H92 Cl12 N8 O4 Ti4 -","4","1","","Hu, Ping; Qiao, Ya-Lin; Wang, Jian-Qiang; Jin, Guo-Xin","Syntheses, Characterization, and Ethylene Polymerization of Titanium Complexes with Double-Duty Tridentate [ONN] Ligands","Organometallics","2012","31","8","3241","","10.1021/om300091e","","","0.71073","MoKα","","0.0816","0.0491","","","0.1101","0.1203","","","","","","0.888","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078085","9.016","0.004","11.529","0.006","16.364","0.008","89.636","0.013","75.48","0.012","88.43","0.012","1646","1.4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","GuanidinateBisTMSamide Zr","Guanidinate BisTMSamide Zr","","- C25 H58 N6 Si2 Zr -","- C25 H58 N6 Si2 Zr -","- C50 H116 N12 Si4 Zr2 -","2","1","","Chen, Shu-Jian; Dougan, Brenda A.; Chen, Xue-Tai; Xue, Zi-Ling","Preparation of Zirconium Guanidinate Complexes from the Direct Insertion of a Carbodiimine and Aminolysis Using a Guanidine. Comparison of the Reactions","Organometallics","2012","31","8","3443","","10.1021/om300097a","","","0.71073","MoKα","","0.0375","0.0356","","","0.0965","0.0984","","","","","","1.035","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078086","9.635","0.007","11.677","0.009","17.915","0.013","96.198","0.015","95.664","0.017","93.531","0.016","1989","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Guanidinate TriTMSsilyl Zr","Guanidinate TriTMSsilyl Zr","","- C28 H67 N5 Si4 Zr -","- C28 H67 N5 Si4 Zr -","- C56 H134 N10 Si8 Zr2 -","2","1","","Chen, Shu-Jian; Dougan, Brenda A.; Chen, Xue-Tai; Xue, Zi-Ling","Preparation of Zirconium Guanidinate Complexes from the Direct Insertion of a Carbodiimine and Aminolysis Using a Guanidine. Comparison of the Reactions","Organometallics","2012","31","8","3443","","10.1021/om300097a","","","0.71073","MoKα","","0.0312","0.0293","","","0.0952","0.0979","","","","","","1.139","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078087","9.6674","0.0011","16.4856","0.0019","21.5869","0.0019","90","","114.389","0.004","90","","3133.4","0.6","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Amine","Amine","","- C15 H29 N3 -","- C15 H29 N3 -","- C120 H232 N24 -","8","2","","Chen, Shu-Jian; Dougan, Brenda A.; Chen, Xue-Tai; Xue, Zi-Ling","Preparation of Zirconium Guanidinate Complexes from the Direct Insertion of a Carbodiimine and Aminolysis Using a Guanidine. Comparison of the Reactions","Organometallics","2012","31","8","3443","","10.1021/om300097a","","","0.71073","MoKα","","0.0415","0.0365","","","0.0892","0.092","","","","","","1.051","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078088","15.3608","0.0005","16.6451","0.0006","18.19","0.001","103.746","0.002","104.557","0.002","111.57","0.002","3894.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C69.5 H77.5 Fe6 O Si4 -","- C69.5 H77.5 Fe6 O Si4 -","- C139 H155 Fe12 O2 Si8 -","2","1","","Bruña, Sonia; Nieto, Daniel; González-Vadillo, Ana M; Perles, Josefina; Cuadrado, Isabel","Cubic Octasilsesquioxanes, Cyclotetrasiloxanes, and Disiloxanes Maximally Functionalized with Silicon-Bridged Interacting Triferrocenyl Units","Organometallics","2012","31","8","3248","","10.1021/om300101w","","","0.71073","MoKα","","0.1685","0.1152","","","0.3535","0.4033","","","","","","1.574","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078089","12.5503","0.0014","15.5866","0.0017","16.136","0.0005","73.48","0.02","68.232","0.017","82.6","0.03","2809.4","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H62 N2 -","- C75 H62 N2 -","- C150 H124 N4 -","2","1","","Balogh, János; Slawin, Alexandra M. Z.; Nolan, Steven P.","BulkyN-Heterocyclic Carbene IPr* in Selected Organo- and Transition Metal-Mediated Catalytic Applications","Organometallics","2012","31","8","3259","","10.1021/om300104j","","","1.54178","CuKα","","0.1272","0.0892","","","0.2494","0.327","","","","","","1.221","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078090","11.917","0.004","18.587","0.006","24.747","0.008","90","","95.972","0.005","90","","5452","3","366","2","366","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 N2 Ni O3 -","- C72 H56 N2 Ni O3 -","- C288 H224 N8 Ni4 O12 -","4","1","","Balogh, János; Slawin, Alexandra M. Z.; Nolan, Steven P.","BulkyN-Heterocyclic Carbene IPr* in Selected Organo- and Transition Metal-Mediated Catalytic Applications","Organometallics","2012","31","8","3259","","10.1021/om300104j","","","0.71073","MoKα","","0.0758","0.0637","","","0.1834","0.1991","","","","","","0.777","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078091","15.238","0.003","25.562","0.005","18.197","0.004","90","","91.91","0.003","90","","7084","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 Cl N2 Ru -","- C88 H80 Cl N2 Ru -","- C352 H320 Cl4 N8 Ru4 -","4","1","","Balogh, János; Slawin, Alexandra M. Z.; Nolan, Steven P.","BulkyN-Heterocyclic Carbene IPr* in Selected Organo- and Transition Metal-Mediated Catalytic Applications","Organometallics","2012","31","8","3259","","10.1021/om300104j","","","0.71073","MoKα","","0.1244","0.0897","","","0.2266","0.2364","","","","","","1.159","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078092","9.7324","0.0019","10.672","0.002","19.838","0.005","79.379","0.015","79.588","0.017","70.281","0.015","1890.7","0.7","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","<b>[FeCl~2~(IMes)~2~]</b> ?","","- C42 H48 Cl2 Fe N4 -","- C42 H48 Cl2 Fe N4 -","- C84 H96 Cl4 Fe2 N8 -","2","1","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","Complexes of Iron(II) and Iron(III) Containing Aryl-Substituted N-Heterocyclic Carbene Ligands","Organometallics","2012","31","8","3264","","10.1021/om300106u","","","0.71073","MoKα","","0.0668","0.0524","","","0.1036","0.1128","","","","","","0.995","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078093","11.3358","0.0012","17.994","0.002","11.2776","0.0013","90","","115.592","0.008","90","","2074.7","0.4","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<b>[Fe~2~Cl~2~(μ-Cl)~2~(IMes)~2~]</b> ?","","- C42 H48 Cl4 Fe2 N4 -","- C42 H48 Cl4 Fe2 N4 -","- C84 H96 Cl8 Fe4 N8 -","2","0.5","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","Complexes of Iron(II) and Iron(III) Containing Aryl-Substituted N-Heterocyclic Carbene Ligands","Organometallics","2012","31","8","3264","","10.1021/om300106u","","","0.71073","MoKα","","0.083","0.0601","","","0.1239","0.1327","","","","","","1.099","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078094","12.389","0.003","14.02","0.004","16.487","0.005","90","","93.757","0.005","90","","2857.5","1.4","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<b>[Fe~2~Cl~2~(μ-Cl)~2~(IPr)~2~]</b> ?","","- C54 H72 Cl4 Fe2 N4 -","- C54 H72 Cl4 Fe2 N4 -","- C108 H144 Cl8 Fe4 N8 -","2","0.5","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","Complexes of Iron(II) and Iron(III) Containing Aryl-Substituted N-Heterocyclic Carbene Ligands","Organometallics","2012","31","8","3264","","10.1021/om300106u","","","0.71073","MoKα","","0.0461","0.0414","","","0.0906","0.0934","","","","","","1.003","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078095","10.672","0.0018","12.236","0.0016","16.135","0.003","70.865","0.008","88.637","0.011","66.44","0.009","1810.6","0.5","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","<b>[Fe~2~Br~2~(μ-Br)~2~(IPr)~2~]</b> ?","","- C78 H96 Br4 Fe2 N4 -","- C78 H96 Br4 Fe2 N4 -","- C78 H96 Br4 Fe2 N4 -","1","0.5","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","Complexes of Iron(II) and Iron(III) Containing Aryl-Substituted N-Heterocyclic Carbene Ligands","Organometallics","2012","31","8","3264","","10.1021/om300106u","","","0.71073","MoKα","","0.0355","0.0324","","","0.0719","0.0735","","","","","","1","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078096","11.0066","0.001","17.7366","0.0019","16.2355","0.0016","90","","94.919","0.007","90","","3157.8","0.5","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<b>[Fe~2~Cl~2~(μ-Cl)~2~(IPr^Cl^)~2~]</b> ?","","- C60 H74 Cl8 Fe2 N4 -","- C60 H74 Cl8 Fe2 N4 -","- C120 H148 Cl16 Fe4 N8 -","2","0.5","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","Complexes of Iron(II) and Iron(III) Containing Aryl-Substituted N-Heterocyclic Carbene Ligands","Organometallics","2012","31","8","3264","","10.1021/om300106u","","","0.71073","MoKα","","0.0339","0.0282","","","0.0698","0.0726","","","","","","1.001","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078097","18.212","0.003","16.237","0.003","20.136","0.003","90","","102.909","0.003","90","","5803.9","1.7","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<b>[FeCl~3~(IPr)]</b> ?","","- C27 H36 Cl3 Fe N2 -","- C27 H36 Cl3 Fe N2 -","- C216 H288 Cl24 Fe8 N16 -","8","2","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","Complexes of Iron(II) and Iron(III) Containing Aryl-Substituted N-Heterocyclic Carbene Ligands","Organometallics","2012","31","8","3264","","10.1021/om300106u","","","0.71073","MoKα","","0.0637","0.0517","","","0.1244","0.1334","","","","","","1.016","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078098","19.676","0.004","8.9433","0.0016","16.847","0.004","90","","95.156","0.007","90","","2952.5","1.1","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<b>[FeCl~3~(IPr^Cl^)]</b> ?","","- C27 H34 Cl5 Fe N2 -","- C27 H34 Cl5 Fe N2 -","- C108 H136 Cl20 Fe4 N8 -","4","1","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","Complexes of Iron(II) and Iron(III) Containing Aryl-Substituted N-Heterocyclic Carbene Ligands","Organometallics","2012","31","8","3264","","10.1021/om300106u","","","0.71073","MoKα","","0.0427","0.0366","","","0.0903","0.094","","","","","","1.002","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078099","10.6221","0.0003","22.8457","0.0007","20.399","0.0005","90","","103.046","0.001","90","","4822.4","0.2","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Cl5 F6 Fe2 N2 O4 P3 S2 -","- C41 H36 Cl5 F6 Fe2 N2 O4 P3 S2 -","- C164 H144 Cl20 F24 Fe8 N8 O16 P12 S8 -","4","1","","Olsen, Matthew T.; Rauchfuss, Thomas B.; Zaffaroni, Riccardo","Reaction of Aryl Diazonium Salts and Diiron(I) Dithiolato Carbonyls: Evidence for Radical Intermediates.","Organometallics","2012","31","8","3447","3450","10.1021/om300107s","","","0.71073","MoKα","","0.0666","0.0394","","","0.08","0.0907","","","","","","1.008","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078100","9.3869","0.0001","16.6437","0.0004","15.1145","0.0003","90","","90","","90","","2361.38","0.08","223","2","223","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H42 Al N Si -","- C20 H42 Al N Si -","- C80 H168 Al4 N4 Si4 -","4","0.5","","Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit","Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide","Organometallics","2012","31","8","3272","","10.1021/om3001179","","","0.71073","MoKα","","0.0719","0.0561","","","0.1246","0.1358","","","","","","1.038","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078101","14.8891","0.0005","18.0127","0.0005","9.6036","0.0003","90","","90","","90","","2575.62","0.14","223","2","223","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C22 H46 Al N Si -","- C22 H46 Al N Si -","- C88 H184 Al4 N4 Si4 -","4","0.5","","Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit","Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide","Organometallics","2012","31","8","3272","","10.1021/om3001179","","","0.71073","MoKα","","0.0616","0.0543","","","0.1285","0.1371","","","","","","1.068","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078102","10.2729","0.0002","10.5164","0.0002","10.9519","0.0002","89.542","0.001","77.895","0.001","80.942","0.001","1142.06","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H42 Al N Si -","- C20 H42 Al N Si -","- C40 H84 Al2 N2 Si2 -","2","1","","Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit","Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide","Organometallics","2012","31","8","3272","","10.1021/om3001179","","","0.71073","MoKα","","0.0565","0.0491","","","0.1158","0.1229","","","","","","1.058","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078103","9.4759","0.0002","11.2988","0.0002","11.4975","0.0003","70.926","0.001","75.311","0.001","79.469","0.001","1118.65","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H39 Al N2 Si -","- C18 H39 Al N2 Si -","- C36 H78 Al2 N4 Si2 -","2","1","","Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit","Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide","Organometallics","2012","31","8","3272","","10.1021/om3001179","","","0.71073","MoKα","","0.064","0.0565","","","0.1437","0.1535","","","","","","1.081","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078104","9.8157","0.0001","17.2096","0.0002","17.4767","0.0002","90","","96.555","0.001","90","","2932.94","0.06","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Al N Si -","- C28 H48 Al N Si -","- C112 H192 Al4 N4 Si4 -","4","1","","Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit","Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide","Organometallics","2012","31","8","3272","","10.1021/om3001179","","","1.54184","CuKα","","0.0476","0.0419","","","0.1144","0.1191","","","","","","1.055","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078105","10.8618","0.0002","16.7278","0.0003","19.8032","0.0003","90","","98.799","0.001","90","","3555.78","0.11","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H64 Al N3 Si -","- C33 H64 Al N3 Si -","- C132 H256 Al4 N12 Si4 -","4","1","","Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit","Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide","Organometallics","2012","31","8","3272","","10.1021/om3001179","","","1.54184","CuKα","","0.0516","0.044","","","0.1161","0.1221","","","","","","1.036","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078106","10.9837","0.0002","16.3149","0.0003","20.0517","0.0004","90","","102.296","0.001","90","","3510.8","0.12","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H61 Al N4 Si -","- C31 H61 Al N4 Si -","- C124 H244 Al4 N16 Si4 -","4","1","","Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit","Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide","Organometallics","2012","31","8","3272","","10.1021/om3001179","","","1.54184","CuKα","","0.0535","0.0478","","","0.1322","0.1382","","","","","","1.034","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078107","16.5909","0.0006","8.5787","0.0004","18.0461","0.0007","90","","108.652","0.0012","90","","2433.57","0.17","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 Cl2 P Ru2 S -","- C22 H37 Cl2 P Ru2 S -","- C88 H148 Cl8 P4 Ru8 S4 -","4","0.5","","Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands","Organometallics","2012","31","8","3292","","10.1021/om3001247","","","0.71075","MoKα","","","0.0175","","","","0.0444","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078108","13.9721","0.0008","17.8282","0.0013","22.6549","0.0013","90","","97.032","0.0016","90","","5600.8","0.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H88 Cl2 O2 P2 Ru4 S2 -","- C50 H72 Cl2 O3.5 P2 Ru4 S2 -","- C200 H288 Cl8 O14 P8 Ru16 S8 -","4","0.5","","Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands","Organometallics","2012","31","8","3292","","10.1021/om3001247","","","0.71075","MoKα","","","0.0494","","","","0.1522","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078109","20.4886","0.0012","8.3947","0.0006","22.4029","0.0013","90","","113.415","0.0014","90","","3535.9","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 Cl N2 P Ru2 S -","- C32 H54 Cl N2 P Ru2 S -","- C128 H216 Cl4 N8 P4 Ru8 S4 -","4","1","","Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands","Organometallics","2012","31","8","3292","","10.1021/om3001247","","","0.71075","MoKα","","","0.0682","","","","0.2134","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078110","8.629","0.002","10.694","0.003","14.922","0.003","80.105","0.005","87.814","0.006","89.707","0.007","1355.5","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F6 P2 Ru2 S -","- C22 H36 F6 P2 Ru2 S -","- C44 H72 F12 P4 Ru4 S2 -","2","1","","Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands","Organometallics","2012","31","8","3292","","10.1021/om3001247","","","0.71075","MoKα","","","0.1079","","","","0.2342","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078111","13.4501","0.0005","14.05","0.0005","19.3656","0.0006","90","","108.944","0.0008","90","","3461.4","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 Cl3 P Ru2 S -","- C32 H46 Cl3 P Ru2 S -","- C128 H184 Cl12 P4 Ru8 S4 -","4","1","","Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands","Organometallics","2012","31","8","3292","","10.1021/om3001247","","","0.71075","MoKα","","","0.0394","","","","0.0705","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078112","14.037","0.0007","19.5485","0.0009","11.3344","0.0005","90","","90","","90","","3110.2","0.3","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H44 Cl O P Ru2 S -","- C31 H44 Cl O P Ru2 S -","- C124 H176 Cl4 O4 P4 Ru8 S4 -","4","1","","Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands","Organometallics","2012","31","8","3292","","10.1021/om3001247","","","0.71075","MoKα","","","0.065","","","","0.1089","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078113","29.188","0.008","10.387","0.003","9.599","0.003","90","","90","","90","","2910.2","1.5","296","2","296","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C31 H16 O9 W3 -","- C31 H16 O9 W3 -","- C124 H64 O36 W12 -","4","1","","Lynch, Thomas J.; Carroll, James M.; Helvenston, Merritt C.; Tisch, Theodore L.; Rheingold, Arnold L.; Staley, Donna L.; Mahmoudkhani, Amir","Trindenyl Trimolybdenum and Tritungsten Complexes: Crystal Structure of (trindenyl)[(OC)3W‒W(CO)3]W(CO)3Bn","Organometallics","2012","31","8","3300","","10.1021/om3001263","","","0.71073","MoKα","","0.0393","0.0393","","","0.1132","0.1132","","","","","","0.742","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078114","12.779","0.0005","13.5488","0.0004","14.6215","0.0006","77.687","0.002","82.317","0.002","89.368","0.002","2450.73","0.16","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H38 P2 -","- C25 H38 P2 -","- C100 H152 P8 -","4","2","","Burford, Richard J.; Piers, Warren E.; Parvez, Masood","β-Elimination-Immune PCcarbeneP Iridium Complexes via Double C‒H Activation: Ligand‒Metal Cooperation in Hydrogen Activation","Organometallics","2012","31","8","2949","","10.1021/om300127g","","","0.71073","MoKα","","0.121","0.0731","","","0.1224","0.1464","","","","","","1.138","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078115","11.683","0.0003","13.7788","0.0006","16.6934","0.0006","90","","105.398","0.002","90","","2590.81","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Br0.3 Cl0.7 Ir P2 -","- C25 H36 Br0.3 Cl0.7 Ir P2 -","- C100 H144 Br1.2 Cl2.8 Ir4 P8 -","4","1","","Burford, Richard J.; Piers, Warren E.; Parvez, Masood","β-Elimination-Immune PCcarbeneP Iridium Complexes via Double C‒H Activation: Ligand‒Metal Cooperation in Hydrogen Activation","Organometallics","2012","31","8","2949","","10.1021/om300127g","","","0.71073","MoKα","","0.0616","0.0459","","","0.0901","0.1009","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078116","10.1632","0.0004","11.1101","0.0005","15.4725","0.0007","97.4904","0.0012","92.3654","0.0016","115.573","0.0014","1553.14","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H47 Ir P2 -","- C34 H47 Ir P2 -","- C68 H94 Ir2 P4 -","2","1","","Burford, Richard J.; Piers, Warren E.; Parvez, Masood","β-Elimination-Immune PCcarbeneP Iridium Complexes via Double C‒H Activation: Ligand‒Metal Cooperation in Hydrogen Activation","Organometallics","2012","31","8","2949","","10.1021/om300127g","","","0.71073","MoKα","","0.037","0.0329","","","0.0773","0.0798","","","","","","1.06","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078117","7.8518","0.0008","11.198","0.0012","15.7007","0.0016","90","","90.659","0.002","90","","1380.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C36 H72 B40 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0596","0.0493","","","0.1294","0.1401","","","","","","1.038","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078118","9.776","0.002","12.704","0.003","21.986","0.005","90","","90","","90","","2730.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C72 H144 B80 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0902","0.0636","","","0.1623","0.191","","","","","","1.039","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078119","13.7034","0.0007","11.7088","0.0006","10.3673","0.0005","90","","90","","90","","1663.44","0.14","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H24 B10 -","- C12 H25 B10 -","- C48 H100 B40 -","4","0.5","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0645","0.0561","","","0.1605","0.1763","","","","","","1.081","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078120","13.8031","0.0007","14.163","0.0008","18.1401","0.0009","90","","90","","90","","3546.3","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H24 B10 Si -","- C11 H24 B10 Si -","- C88 H192 B80 Si8 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0543","0.0417","","","0.1168","0.1341","","","","","","1.056","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078121","8.7491","0.0007","11.0052","0.0009","18.6504","0.0015","90","","90","","90","","1795.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.1002","0.0555","","","0.1093","0.1287","","","","","","0.921","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078122","10.9237","0.0013","12.9995","0.0016","13.1941","0.0017","90","","108.921","0.002","90","","1772.4","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0451","0.0408","","","0.1156","0.1209","","","","","","0.992","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078123","16.2191","0.0011","9.6468","0.0006","14.5023","0.001","90","","105.859","0.001","90","","2182.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 B20 -","- C11 H28 B20 -","- C44 H112 B80 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0808","0.0714","","","0.2004","0.2089","","","","","","1.102","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078124","12.8235","0.0004","19.04","0.0006","20.2987","0.0006","90","","90","","90","","4956.1","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H34 B20 -","- C14 H34 B20 -","- C112 H272 B160 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0699","0.0517","","","0.1408","0.1609","","","","","","1.022","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078125","13.6925","0.0007","13.7304","0.0006","13.7522","0.0006","61.838","0.001","88.833","0.001","77.774","0.001","2218.17","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H28 B20 -","- C11 H28 B20 -","- C44 H112 B80 -","4","2","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.1368","0.069","","","0.1697","0.2034","","","","","","1.036","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078126","7.066","0.0015","8.4442","0.0017","22.582","0.005","90","","90","","90","","1347.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B10 -","- C9 H16 B10 -","- C36 H64 B40 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0835","0.0519","","","0.1287","0.1518","","","","","","1.09","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078127","7.4119","0.0009","8.748","0.003","22.979","0.004","90","","95.218","0.012","90","","1483.8","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O5 Te2 -","- C14 H14 O5 Te2 -","- C56 H56 O20 Te8 -","4","1","","Beckmann, Jens; Duthie, Andrew; Gesing, Thorsten M.; Koehne, Tim; Lork, Enno","Depolymerization of Aryltellurinic Anhydrides with Sodium Hydroxide. Synthesis and Structure of the Hydrated Sodium Aryltellurinates [Na(H2O)4](RTeO2) (R = 4-MeOC6H4, 8-Me2NC10H6)","Organometallics","2012","31","8","3451","","10.1021/om300130a","","","0.71073","MoKα","","0.0563","0.047","","","0.1127","0.1182","","","","","","1.117","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078128","6.8541","0.0007","5.0843","0.0011","17.21","0.002","90","","95.326","0.009","90","","597.15","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Na O7 Te -","- C7 H15 Na O7 Te -","- C14 H30 Na2 O14 Te2 -","2","1","","Beckmann, Jens; Duthie, Andrew; Gesing, Thorsten M.; Koehne, Tim; Lork, Enno","Depolymerization of Aryltellurinic Anhydrides with Sodium Hydroxide. Synthesis and Structure of the Hydrated Sodium Aryltellurinates [Na(H2O)4](RTeO2) (R = 4-MeOC6H4, 8-Me2NC10H6)","Organometallics","2012","31","8","3451","","10.1021/om300130a","","","0.71073","MoKα","","0.0276","0.0269","","","0.0694","0.07","","","","","","1.018","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078129","8.631","0.002","10.273","0.001","19.562","0.002","83.3","0.01","89.68","0.01","88.31","0.01","1721.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 N Na O7 Te -","- C12 H22 N Na O7 Te -","- C48 H88 N4 Na4 O28 Te4 -","4","2","","Beckmann, Jens; Duthie, Andrew; Gesing, Thorsten M.; Koehne, Tim; Lork, Enno","Depolymerization of Aryltellurinic Anhydrides with Sodium Hydroxide. Synthesis and Structure of the Hydrated Sodium Aryltellurinates [Na(H2O)4](RTeO2) (R = 4-MeOC6H4, 8-Me2NC10H6)","Organometallics","2012","31","8","3451","","10.1021/om300130a","","","0.71073","MoKα","","0.0791","0.0438","","","0.0831","0.0945","","","","","","1.009","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4078130","12.4298","0.0006","13.8048","0.0008","15.5245","0.0008","89.869","0.002","71.536","0.001","76.876","0.002","2453.7","0.2","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H77 Fe2 S2 Si2 -","- C47 H56 Fe2 S2 Si2 -","- C94 H112 Fe4 S4 Si4 -","2","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines","Organometallics","2012","31","8","2953","","10.1021/om300134t","","","0.71069","MoKα","","0.0492","0.039","","","0.1084","0.1164","","","","","","1.076","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078131","11.1305","0.0004","18.4097","0.0006","15.4573","0.0005","90","","103.257","0.001","90","","3082.94","0.18","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Fe2 N2 S Si -","- C30 H46 Fe2 N2 S Si -","- C120 H184 Fe8 N8 S4 Si4 -","4","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines","Organometallics","2012","31","8","2953","","10.1021/om300134t","","","0.71069","MoKα","","0.0506","0.0344","","","0.0747","0.0879","","","","","","1.09","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078132","24.6933","0.0005","24.6933","0.0005","13.8075","0.0003","90","","90","","120","","7291.3","0.3","173","1","173","1","","","","","","","","5","P 63","P 6c","173","","","","- C47 H69 Fe2 S3 Si3 -","- C47 H69 Fe2 S3 Si3 -","- C282 H414 Fe12 S18 Si18 -","6","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines","Organometallics","2012","31","8","2953","","10.1021/om300134t","","","0.71069","MoKα","","0.0439","0.035","","","0.0841","0.0873","","","","","","1.058","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078133","12.763","0.002","18.57","0.003","16.934","0.003","90","","93.351","0.003","90","","4006.6","1.1","103","1","103","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 Ru2 S2 Si2 -","- C38 H56 Ru2 S2 Si2 -","- C152 H224 Ru8 S8 Si8 -","4","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines","Organometallics","2012","31","8","2953","","10.1021/om300134t","","","0.71069","MoKα","","0.0957","0.0702","","","0.1416","0.1559","","","","","","1.133","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078134","11.072","0.002","15.416","0.003","21.854","0.004","95.023","0.004","98.802","0.003","101.281","0.004","3588.4","1.2","103","1","103","1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H47 F3 Fe2 N2 O3 S2 Si -","- C31 H47 F3 Fe2 N2 O3 S2 Si -","- C124 H188 F12 Fe8 N8 O12 S8 Si4 -","4","2","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines","Organometallics","2012","31","8","2953","","10.1021/om300134t","","","0.71069","MoKα","","0.0832","0.0582","","","0.1395","0.1633","","","","","","0.942","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078135","10.985","0.001","15.8855","0.0014","15.9669","0.0016","92.938","0.002","107.854","0.003","107.113","0.002","2503.8","0.4","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H38 Fe S Si2 -","- C22 H36 Fe S Si2 -","- C88 H144 Fe4 S4 Si8 -","4","2","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines","Organometallics","2012","31","8","2953","","10.1021/om300134t","","","0.71069","MoKα","","0.1441","0.0798","","","0.2024","0.2521","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078136","12.827","0.003","13.963","0.003","17.082","0.003","90","","110.78","0.03","90","","2860.4","1.2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Fe2 N2 O6 S2 -","- C28 H28 Fe2 N2 O6 S2 -","- C112 H112 Fe8 N8 O24 S8 -","4","1","","Song, Li-Cheng; Gao, Wei; Luo, Xiang; Wang, Zhi-Xuan; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Characterization, and Electrochemical Properties of Benzyloxy-Functionalized Diiron 1,3-Propanedithiolate Complexes Relevant to the Active Site of [FeFe]-Hydrogenases","Organometallics","2012","31","8","3324","","10.1021/om300136b","","","0.71073","MoKα","","0.0662","0.0474","","","0.0981","0.106","","","","","","1.06","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078137","19.185","0.004","14.329","0.003","17.05","0.003","90","","111.33","0.03","90","","4366","1.7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H43 Fe2 O5 P2 S2 -","- C50 H36 Fe2 O5 P2 S2 -","- C200 H144 Fe8 O20 P8 S8 -","4","0.5","","Song, Li-Cheng; Gao, Wei; Luo, Xiang; Wang, Zhi-Xuan; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Characterization, and Electrochemical Properties of Benzyloxy-Functionalized Diiron 1,3-Propanedithiolate Complexes Relevant to the Active Site of [FeFe]-Hydrogenases","Organometallics","2012","31","8","3324","","10.1021/om300136b","","","0.71073","MoKα","","0.0482","0.0424","","","0.11","0.114","","","","","","1.083","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078138","9.0684","0.0018","37.231","0.007","11.977","0.002","90","","103.17","0.03","90","","3937.4","1.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 Fe2 O6.5 P2 S2 -","- C35 H36 Fe2 O6.5 P2 S2 -","- C140 H144 Fe8 O26 P8 S8 -","4","1","","Song, Li-Cheng; Gao, Wei; Luo, Xiang; Wang, Zhi-Xuan; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Characterization, and Electrochemical Properties of Benzyloxy-Functionalized Diiron 1,3-Propanedithiolate Complexes Relevant to the Active Site of [FeFe]-Hydrogenases","Organometallics","2012","31","8","3324","","10.1021/om300136b","","","0.71073","MoKα","","0.0555","0.0499","","","0.1511","0.1555","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078139","11.158","0.012","22.76","0.02","14.644","0.015","90","","97.067","0.014","90","","3691","6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Fe2 O5 P2 S2 -","- C40 H36 Fe2 O5 P2 S2 -","- C160 H144 Fe8 O20 P8 S8 -","4","1","","Song, Li-Cheng; Gao, Wei; Luo, Xiang; Wang, Zhi-Xuan; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Characterization, and Electrochemical Properties of Benzyloxy-Functionalized Diiron 1,3-Propanedithiolate Complexes Relevant to the Active Site of [FeFe]-Hydrogenases","Organometallics","2012","31","8","3324","","10.1021/om300136b","","","0.7107","MoKα","","0.1049","0.0797","","","0.2242","0.2358","","","","","","1.046","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078140","11.922","0.002","12.398","0.003","12.817","0.003","84.903","0.017","67.969","0.012","66.568","0.013","1607.3","0.6","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H26 Cl2 Fe2 O6 P S2 -","- C29 H26 Cl2 Fe2 O6 P S2 -","- C58 H52 Cl4 Fe4 O12 P2 S4 -","2","1","","Song, Li-Cheng; Gao, Wei; Luo, Xiang; Wang, Zhi-Xuan; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Characterization, and Electrochemical Properties of Benzyloxy-Functionalized Diiron 1,3-Propanedithiolate Complexes Relevant to the Active Site of [FeFe]-Hydrogenases","Organometallics","2012","31","8","3324","","10.1021/om300136b","","","0.7107","MoKα","","0.0848","0.0651","","","0.1873","0.2293","","","","","","0.84","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078141","10.367","0.0012","6.6771","0.0007","13.6406","0.0015","90","","93.131","0.002","90","","942.81","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H26 Cl N O2 Os -","- C20 H26 Cl N O2 Os -","- C40 H52 Cl2 N2 O4 Os2 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.0475","0.039","","","0.0801","0.0828","","","","","","0.955","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078142","6.5418","0.0006","10.4418","0.0009","23.02","0.002","90","","90","","90","","1572.5","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cl N O2 Os -","- C15 H20 Cl N O2 Os -","- C60 H80 Cl4 N4 O8 Os4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.0695","0.0458","","","0.0738","0.0788","","","","","","0.862","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078143","6.196","0.0005","14.6441","0.0011","17.7441","0.0014","90","","90","","90","","1610","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl N O2 Os -","- C16 H24 Cl N O2 Os -","- C64 H96 Cl4 N4 O8 Os4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.0325","0.0297","","","0.0549","0.0557","","","","","","1.001","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078144","15.016","0.016","19.85","0.02","20.5","0.02","90","","90","","90","","6110","11","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H75 B3 F12 N3 O7.5 Os3 -","- C48 H66 B3 F12 N3 O7.5 Os3 -","- C192 H264 B12 F48 N12 O30 Os12 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.1942","0.0651","","","0.1153","0.131","","","","","","0.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078145","15.43","0.002","15.43","0.002","58.65","0.012","90","","90","","90","","13964","4","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C52 H82 B3 F12 N3 O7 Os3 -","- C52 H72 B3 F12 N3 O7 Os3 -","- C416 H576 B24 F96 N24 O56 Os24 -","8","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.1061","0.0584","","","0.1121","0.1227","","","","","","0.893","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078146","11.596","0.003","21.607","0.005","20.596","0.005","90","","96.34","0.004","90","","5129","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H69 N7 S Si2 Zr -","- C52 H69 N7 S Si2 Zr -","- C208 H276 N28 S4 Si8 Zr4 -","4","1","","Gehrmann, Thorsten; Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","[2 + 2] Cycloaddition Products of Zirconium and Hafnium Hydrazinediides with Allenes and Heteroallenes and Their Thermally Induced Rearrangements","Organometallics","2012","31","8","3346","","10.1021/om300143h","","x-ray","0.71073","MoKα","","0.1067","0.054","","","0.1292","0.1488","","","","","","1.107","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078147","11.392","0.006","21.888","0.011","22.235","0.011","90","","103.007","0.007","90","","5402","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H75 N7 S Si2 Zr -","- C55 H75 N7 S Si2 Zr -","- C220 H300 N28 S4 Si8 Zr4 -","4","1","","Gehrmann, Thorsten; Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","[2 + 2] Cycloaddition Products of Zirconium and Hafnium Hydrazinediides with Allenes and Heteroallenes and Their Thermally Induced Rearrangements","Organometallics","2012","31","8","3346","","10.1021/om300143h","","x-ray","0.71073","MoKα","","0.0485","0.0359","","","0.0837","0.0925","","","","","","1.03","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078148","11.14","0.005","22.176","0.01","19.373","0.008","90","","104.619","0.01","90","","4631","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H64 N6 Si2 Zr -","- C47 H64 N6 Si2 Zr -","- C188 H256 N24 Si8 Zr4 -","4","1","","Gehrmann, Thorsten; Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","[2 + 2] Cycloaddition Products of Zirconium and Hafnium Hydrazinediides with Allenes and Heteroallenes and Their Thermally Induced Rearrangements","Organometallics","2012","31","8","3346","","10.1021/om300143h","","x-ray","0.71073","MoKα","","0.0454","0.0322","","","0.0759","0.0844","","","","","","1.058","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078149","11.179","0.006","23.599","0.012","20.213","0.01","90","","91.2","0.009","90","","5331","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H84 Hf N6 Si2 -","- C53 H84 Hf N6 Si2 -","- C212 H336 Hf4 N24 Si8 -","4","1","","Gehrmann, Thorsten; Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","[2 + 2] Cycloaddition Products of Zirconium and Hafnium Hydrazinediides with Allenes and Heteroallenes and Their Thermally Induced Rearrangements","Organometallics","2012","31","8","3346","","10.1021/om300143h","","x-ray","0.71073","MoKα","","0.0499","0.0325","","","0.0638","0.0708","","","","","","1.034","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078150","10.0071","0.0003","11.2824","0.0003","19.3538","0.0006","78.416","0.004","82.15","0.004","72.009","0.004","2029.42","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H54 F3 N3 O6 Pd S -","- C37 H54 F3 N3 O6 Pd S -","- C74 H108 F6 N6 O12 Pd2 S2 -","2","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Sequential Insertion of Alkynes and CO or Isocyanides into the Pd‒C Bond of Cyclopalladated Phenylacetamides. Synthesis of Eight-Membered Palladacycles, Benzo[d]azocine-2,4(1H,3H)-diones, and Highly Functionalized Acrylonitrile and Acrylamide Derivatives","Organometallics","2012","31","8","3361","","10.1021/om300151n","","","0.71073","MoKα","","0.0365","0.0267","","","0.0663","0.0676","","","","","","0.949","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078151","8.7948","0.0011","9.8117","0.001","11.3509","0.0013","104.998","0.01","103.082","0.01","104.619","0.01","869.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C46 H34 N2 O4 -","2","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Sequential Insertion of Alkynes and CO or Isocyanides into the Pd‒C Bond of Cyclopalladated Phenylacetamides. Synthesis of Eight-Membered Palladacycles, Benzo[d]azocine-2,4(1H,3H)-diones, and Highly Functionalized Acrylonitrile and Acrylamide Derivatives","Organometallics","2012","31","8","3361","","10.1021/om300151n","","","1.54184","CuKα","","0.0459","0.0398","","","0.1072","0.111","","","","","","1.081","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078152","11.1524","0.0004","10.1077","0.0004","11.2671","0.0004","90","","91.129","0.004","90","","1269.84","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Sequential Insertion of Alkynes and CO or Isocyanides into the Pd‒C Bond of Cyclopalladated Phenylacetamides. Synthesis of Eight-Membered Palladacycles, Benzo[d]azocine-2,4(1H,3H)-diones, and Highly Functionalized Acrylonitrile and Acrylamide Derivatives","Organometallics","2012","31","8","3361","","10.1021/om300151n","","","1.54184","CuKα","","0.0406","0.0352","","","0.0871","0.0909","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078153","8.3426","0.0002","9.746","0.0003","17.8648","0.0004","81.605","0.003","83.119","0.003","74.056","0.003","1376.83","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N4 O Pd -","- C29 H34 N4 O Pd -","- C58 H68 N8 O2 Pd2 -","2","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Sequential Insertion of Alkynes and CO or Isocyanides into the Pd‒C Bond of Cyclopalladated Phenylacetamides. Synthesis of Eight-Membered Palladacycles, Benzo[d]azocine-2,4(1H,3H)-diones, and Highly Functionalized Acrylonitrile and Acrylamide Derivatives","Organometallics","2012","31","8","3361","","10.1021/om300151n","","","0.71073","MoKα","","0.0226","0.0188","","","0.0487","0.0493","","","","","","1.065","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078154","15.4806","0.0005","8.6812","0.0003","18.5378","0.0006","90","","106.395","0.004","90","","2390","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N2 O -","- C31 H26 N2 O -","- C124 H104 N8 O4 -","4","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Sequential Insertion of Alkynes and CO or Isocyanides into the Pd‒C Bond of Cyclopalladated Phenylacetamides. Synthesis of Eight-Membered Palladacycles, Benzo[d]azocine-2,4(1H,3H)-diones, and Highly Functionalized Acrylonitrile and Acrylamide Derivatives","Organometallics","2012","31","8","3361","","10.1021/om300151n","","","0.71073","MoKα","","0.0579","0.0368","","","0.0829","0.0867","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078155","11.2983","0.0004","8.6519","0.0003","37.1625","0.0012","90","","97.241","0.004","90","","3603.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Cl N4 Pd -","- C41 H43 Cl N4 Pd -","- C164 H172 Cl4 N16 Pd4 -","4","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Sequential Insertion of Alkynes and CO or Isocyanides into the Pd‒C Bond of Cyclopalladated Phenylacetamides. Synthesis of Eight-Membered Palladacycles, Benzo[d]azocine-2,4(1H,3H)-diones, and Highly Functionalized Acrylonitrile and Acrylamide Derivatives","Organometallics","2012","31","8","3361","","10.1021/om300151n","","","1.54184","CuKα","","0.0373","0.0346","","","0.0857","0.0875","","","","","","1.054","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078156","33.59","0.003","33.59","0.003","13.3249","0.0012","90","","90","","120","","13020","2","150","2","150","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","MAAC","","","- C31.5 H48 N2 O -","- C24 H30 N2 O -","- C432 H540 N36 O18 -","18","1","","Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups","Organometallics","2012","31","8","3373","","10.1021/om3001586","","","0.71075","MoKα","","0.1299","0.0663","","","0.1357","0.1567","","","","","","0.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078157","11.756","0.003","9.387","0.002","26.214","0.006","90","","97.739","0.005","90","","2866.5","1.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MAACIrCODCl","","","- C32 H42 Cl Ir N2 O -","- C32 H42 Cl Ir N2 O -","- C128 H168 Cl4 Ir4 N8 O4 -","4","1","","Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups","Organometallics","2012","31","8","3373","","10.1021/om3001586","","","0.71075","MoKα","","0.0399","0.0374","","","0.0845","0.086","","","","","","1.006","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078158","22.584","0.002","22.584","0.002","10.3184","0.0011","90","","90","","120","","4557.7","0.7","150","2","150","2","","","","","","","","5","P 61","P 61","169","6satMe2MesIrCODCl","","","- C32 H44 Cl Ir N2 -","- C32 H44 Cl Ir N2 -","- C192 H264 Cl6 Ir6 N12 -","6","1","","Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups","Organometallics","2012","31","8","3373","","10.1021/om3001586","","","0.71075","MoKα","","0.02","0.0185","","","0.0521","0.0536","","","","","","1.006","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078159","9.2202","0.0008","26.635","0.002","10.247","0.0009","90","","94.477","0.002","90","","2508.8","0.4","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl F6 N P Rh S -","- C22 H26 Cl F6 N P Rh S -","- C88 H104 Cl4 F24 N4 P4 Rh4 S4 -","4","1","","Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K.","Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines","Organometallics","2012","31","8","3379","","10.1021/om300169p","","","0.71073","MoKα","","0.0726","0.0665","","","0.1408","0.1438","","","","","","1.264","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078160","22.802","0.008","8.224","0.003","26.023","0.008","90","","95.596","0.006","90","","4857","3","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cl F6 N2 P Rh S -","- C21 H25 Cl F6 N2 P Rh S -","- C168 H200 Cl8 F48 N16 P8 Rh8 S8 -","8","1","","Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K.","Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines","Organometallics","2012","31","8","3379","","10.1021/om300169p","","","0.71073","MoKα","","0.0721","0.0585","","","0.1245","0.1309","","","","","","1.176","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078161","13.709","0.002","14.199","0.002","31.494","0.005","90","","90","","90","","6130.4","1.6","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H29 F12 N2 P2 Rh Se -","- C24 H29 F12 N2 P2 Rh Se -","- C192 H232 F96 N16 P16 Rh8 Se8 -","8","1","","Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K.","Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines","Organometallics","2012","31","8","3379","","10.1021/om300169p","","","0.71073","MoKα","","0.0982","0.083","","","0.1992","0.208","","","","","","1.172","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078162","23.185","0.004","8.5541","0.0014","25.652","0.004","90","","95.84","0.003","90","","5061.1","1.4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cl F6 Ir N P S -","- C22 H26 Cl F6 Ir N P S -","- C176 H208 Cl8 F48 Ir8 N8 P8 S8 -","8","1","","Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K.","Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines","Organometallics","2012","31","8","3379","","10.1021/om300169p","","","0.71073","MoKα","","0.0443","0.0397","","","0.0837","0.0857","","","","","","1.181","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078163","23.319","0.004","8.6267","0.0013","25.61","0.004","90","","94.343","0.003","90","","5137.1","1.4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cl F6 Ir N P Se -","- C22 H26 Cl F6 Ir N P Se -","- C176 H208 Cl8 F48 Ir8 N8 P8 Se8 -","8","1","","Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K.","Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines","Organometallics","2012","31","8","3379","","10.1021/om300169p","","","0.71073","MoKα","","0.0546","0.0475","","","0.113","0.117","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078164","22.849","0.013","8.306","0.004","26.097","0.013","90","","95.934","0.015","90","","4926","4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cl F6 Ir N2 P S -","- C21 H25 Cl F6 Ir N2 P S -","- C168 H200 Cl8 F48 Ir8 N16 P8 S8 -","8","1","","Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K.","Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines","Organometallics","2012","31","8","3379","","10.1021/om300169p","","","0.71073","MoKα","","0.0663","0.0533","","","0.113","0.1291","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078165","14.432","0.003","9.732","0.002","15.683","0.004","90","","108.605","0.005","90","","2087.6","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Ge N2 O S -","- C19 H32 Ge N2 O S -","- C76 H128 Ge4 N8 O4 S4 -","4","1","","Siwatch, Rahul Kumar; Nagendran, Selvarajan","Germaester Complexes with a Ge(E)Ot-Bu Moiety (E = S or Se)","Organometallics","2012","31","8","3389","","10.1021/om300173s","","","0.71073","MoKα","","0.0793","0.0503","","","0.1202","0.1467","","","","","","1.003","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078166","12.181","0.002","10.694","0.002","17.532","0.003","90","","102.975","0.004","90","","2225.5","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Ge N2 O S -","- C19 H32 Ge N2 O S -","- C76 H128 Ge4 N8 O4 S4 -","4","1","","Siwatch, Rahul Kumar; Nagendran, Selvarajan","Germaester Complexes with a Ge(E)Ot-Bu Moiety (E = S or Se)","Organometallics","2012","31","8","3389","","10.1021/om300173s","","","0.71073","MoKα","","0.1026","0.0843","","","0.1627","0.172","","","","","","1.17","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078167","14.928","0.003","9.654","0.002","15.48","0.003","90","","107.129","0.004","90","","2131.9","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Ge N2 O Se -","- C19 H32 Ge N2 O Se -","- C76 H128 Ge4 N8 O4 Se4 -","4","1","","Siwatch, Rahul Kumar; Nagendran, Selvarajan","Germaester Complexes with a Ge(E)Ot-Bu Moiety (E = S or Se)","Organometallics","2012","31","8","3389","","10.1021/om300173s","","","0.71073","MoKα","","0.0661","0.0529","","","0.108","0.1129","","","","","","1.222","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078168","12.504","0.007","10.814","0.006","17.158","0.01","90","","104.104","0.011","90","","2250","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Ge N2 O Se -","- C19 H32 Ge N2 O Se -","- C76 H128 Ge4 N8 O4 Se4 -","4","1","","Siwatch, Rahul Kumar; Nagendran, Selvarajan","Germaester Complexes with a Ge(E)Ot-Bu Moiety (E = S or Se)","Organometallics","2012","31","8","3389","","10.1021/om300173s","","","0.71073","MoKα","","0.0663","0.0411","","","0.0862","0.0941","","","","","","0.953","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078169","9.664","0.002","16.871","0.005","21.112","0.008","90","","90","","90","","3442.1","1.8","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 Fe I N P2 -","- C39 H42 Fe I N P2 -","- C156 H168 Fe4 I4 N4 P8 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.1056","0.0704","","","0.164","0.1846","","","","","","1.074","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078170","11.063","0.003","14.721","0.004","11.631","0.004","90","","117.106","0.015","90","","1686.2","0.9","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C39 H42 Fe I N P2 -","- C39 H42 Fe I N P2 -","- C78 H84 Fe2 I2 N2 P4 -","2","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.0399","0.035","","","0.0774","0.0801","","","","","","1.046","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078171","10.01","0.004","17.66","0.006","10.919","0.004","90","","110.235","0.016","90","","1811.1","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C39 H42 F6 Fe N P3 -","- C39 H42 F6 Fe N P3 -","- C78 H84 F12 Fe2 N2 P6 -","2","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.0407","0.038","","","0.091","0.0922","","","","","","1.041","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078172","9.828","0.003","16.854","0.003","20.244","0.005","90","","90","","90","","3353.2","1.4","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Fe I N P2 -","- C37 H40 Fe I N P2 -","- C148 H160 Fe4 I4 N4 P8 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.0519","0.0397","","","0.0822","0.0864","","","","","","1.064","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078173","10.202","0.003","17.204","0.005","11.28","0.003","90","","114.659","0.01","90","","1799.3","0.9","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C37 H40 F6 Fe N P3 -","- C37 H40 F6 Fe N P3 -","- C74 H80 F12 Fe2 N2 P6 -","2","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.2153","0.103","","","0.1668","0.2065","","","","","","0.97","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078174","14.2808","0.0019","10.8004","0.0014","19.383","0.003","90","","98.592","0.003","90","","2956.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Fe Ge N O S -","- C32 H37 Fe Ge N O S -","- C128 H148 Fe4 Ge4 N4 O4 S4 -","4","1","","Kamitani, Masahiro; Fukumoto, Kozo; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi","Catalytic Synthesis of Cyclic and Linear Germoxanes Mediated by an Iron Complex","Organometallics","2012","31","8","2957","","10.1021/om3001845","","","0.7107","MoKα","","0.0591","0.0469","","","0.0816","0.0846","","","","","","1.162","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078175","17.935","0.011","13.488","0.008","26.855","0.016","90","","95.412","0.009","90","","6467","7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H69 Cl N2 O2 Pd -","- C80 H69 Cl N2 O2 Pd -","- C320 H276 Cl4 N8 O8 Pd4 -","4","1","","Meiries, Sebastien; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P.","[Pd(IPr*)(acac)Cl]: An Easily Synthesized, Bulky Precatalyst for C‒N Bond Formation","Organometallics","2012","31","8","3402","","10.1021/om300205c","","","0.71073","MoKα","","0.189","0.1497","","","0.3676","0.3876","","","","","","1.175","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078176","7.202","0.0004","8.2457","0.0005","16.4105","0.0009","90","","93.2572","0.0015","90","","972.97","0.1","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 O4 P -","- C22 H25 O4 P -","- C44 H50 O8 P2 -","2","1","","Motoyama, Kazuki; Ikeda, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Ruthenium- and Copper-Catalyzed Enantioselective Propargylic Alkylation of Propargylic Alcohols with β-Keto Phosphonates","Organometallics","2012","31","8","3426","","10.1021/om300219f","","","0.71075","MoKα","","","0.0343","","","","0.0808","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078177","12.0376","0.0004","12.6331","0.0004","12.9189","0.0004","69.683","0.001","78.064","0.001","84.682","0.001","1802.08","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 Au O10 Os3 P -","- C34 H21 Au O10 Os3 P -","- C68 H42 Au2 O20 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands","Organometallics","2012","31","8","2961","","10.1021/om300235n","","","0.71073","MoKα","","0.046","0.038","","","0.1018","0.1092","","","","","","1.033","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078178","9.4965","0.0002","12.8917","0.0003","28.5192","0.0006","86.469","0.001","86.732","0.001","88.964","0.001","3478.83","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H20 Au O9 Os3 P -","- C33 H20 Au O9 Os3 P -","- C132 H80 Au4 O36 Os12 P4 -","4","2","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands","Organometallics","2012","31","8","2961","","10.1021/om300235n","","","0.71073","MoKα","","0.0513","0.0368","","","0.0834","0.0917","","","","","","1.031","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078179","9.2085","0.0006","15.4986","0.0011","15.6967","0.0011","69.71","0.001","87.315","0.001","82.697","0.001","2084.2","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 Au O10 Os3 P -","- C41 H29 Au O10 Os3 P -","- C82 H58 Au2 O20 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands","Organometallics","2012","31","8","2961","","10.1021/om300235n","","","0.71073","MoKα","","0.0518","0.0404","","","0.1121","0.122","","","","","","1.025","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078180","30.52","0.003","10.1912","0.0008","27.194","0.003","90","","115.246","0.004","90","","7650.4","1.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Au O10 Os3 P -","- C38 H22 Au O10 Os3 P -","- C304 H176 Au8 O80 Os24 P8 -","8","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands","Organometallics","2012","31","8","2961","","10.1021/om300235n","","","0.71073","MoKα","","0.0611","0.0444","","","0.0986","0.1073","","","","","","1.073","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078181","9.1719","0.0005","16.0279","0.0009","25.9591","0.0014","90","","91.298","0.001","90","","3815.2","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Au O9 Os3 P -","- C37 H22 Au O9 Os3 P -","- C148 H88 Au4 O36 Os12 P4 -","4","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands","Organometallics","2012","31","8","2961","","10.1021/om300235n","","","0.71073","MoKα","","0.0599","0.0435","","","0.1022","0.1107","","","","","","1.053","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078182","9.104","0.003","11.125","0.004","16.529","0.006","96.254","0.013","90.176","0.009","92.435","0.011","1662.6","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Br2 Cl6 Fe N3 -","- C30 H25 Br2 Cl6 Fe N3 -","- C60 H50 Br4 Cl12 Fe2 N6 -","2","1","","Kamata, Kouji; Suzuki, Atsuko; Nakai, Yuta; Nakazawa, Hiroshi","Catalytic Hydrosilylation of Alkenes by Iron Complexes Containing Terpyridine Derivatives as Ancillary Ligands","Organometallics","2012","31","10","3825","3828","10.1021/om300279t","","","0.7107","MoKα","","0.1148","0.0871","","","0.185","0.1979","","","","","","1.193","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078183","12.144","0.002","15.685","0.003","14.4","0.003","90","","105.016","0.004","90","","2649.2","0.9","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Br2 Cl2 Fe N3 -","- C26 H25 Br2 Cl2 Fe N3 -","- C104 H100 Br8 Cl8 Fe4 N12 -","4","1","","Kamata, Kouji; Suzuki, Atsuko; Nakai, Yuta; Nakazawa, Hiroshi","Catalytic Hydrosilylation of Alkenes by Iron Complexes Containing Terpyridine Derivatives as Ancillary Ligands","Organometallics","2012","31","10","3825","3828","10.1021/om300279t","","","0.7107","MoKα","","0.1031","0.0779","","","0.1029","0.1095","","","","","","1.182","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078184","18.532","0.0004","15.384","0.0004","18.897","0.0004","90","","109.264","0.0014","90","","5085.8","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H76 B2 F8 N6 O P2 Rh2 -","- C41 H76 B2 F8 N6 O P2 Rh2 -","- C164 H304 B8 F32 N24 O4 P8 Rh8 -","4","1","","Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David","N‒H Activation by Rh(I) via Metal‒Ligand Cooperation","Organometallics","2012","31","11","4083","4101","10.1021/om300248r","","","0.71073","MoKα","","0.0602","0.0392","","","0.074","0.0806","","","","","","1.081","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078185","11.156","0.0001","14.334","0.0002","16.529","0.0003","90","","90.163","0.0006","90","","2643.14","0.06","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 B F4 N2 O P Rh -","- C22 H41 B F4 N2 O P Rh -","- C88 H164 B4 F16 N8 O4 P4 Rh4 -","4","1","","Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David","N‒H Activation by Rh(I) via Metal‒Ligand Cooperation","Organometallics","2012","31","11","4083","4101","10.1021/om300248r","","","0.71073","MoKα","","0.0432","0.0322","","","0.0768","0.082","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078186","7.817","0.0001","11.8504","0.0002","13.9795","0.0002","74.3341","0.001","74.2262","0.001","85.5839","0.0006","1199.92","0.03","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H39 B F4 N2 P Rh -","- C21 H39 B F4 N2 P Rh -","- C42 H78 B2 F8 N4 P2 Rh2 -","2","1","","Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David","N‒H Activation by Rh(I) via Metal‒Ligand Cooperation","Organometallics","2012","31","11","4083","4101","10.1021/om300248r","","","0.71073","MoKα","","0.0334","0.0305","","","0.0744","0.0764","","","","","","1.099","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078187","11.6467","0.0005","16.1779","0.0008","13.947","0.0008","90","","104.855","0.003","90","","2540.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 B F4 N P2 Rh -","- C21 H39 B F4 N P2 Rh -","- C84 H156 B4 F16 N4 P8 Rh4 -","4","1","","Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David","N‒H Activation by Rh(I) via Metal‒Ligand Cooperation","Organometallics","2012","31","11","4083","4101","10.1021/om300248r","","","0.71073","MoKα","","0.0843","0.0468","","","0.0953","0.1102","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078188","14.1476","0.0005","24.9498","0.0009","7.5796","0.0003","90","","90","","90","","2675.45","0.17","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl2 N3 P Rh -","- C25 H39 Cl2 N3 P Rh -","- C100 H156 Cl8 N12 P4 Rh4 -","4","1","","Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David","N‒H Activation by Rh(I) via Metal‒Ligand Cooperation","Organometallics","2012","31","11","4083","4101","10.1021/om300248r","","","0.71073","MoKα","","0.0429","0.0377","","","0.0858","0.0881","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078189","10.6386","0.0002","15.196","0.0002","18.7985","0.0003","74.9166","0.0007","84.3107","0.0007","72.6717","0.0006","2800.39","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H42 B F4 N3 P Rh -","- C25 H42 B F4 N3 P Rh -","- C100 H168 B4 F16 N12 P4 Rh4 -","4","2","","Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David","N‒H Activation by Rh(I) via Metal‒Ligand Cooperation","Organometallics","2012","31","11","4083","4101","10.1021/om300248r","","","0.71073","MoKα","","0.0769","0.0526","","","0.1318","0.1498","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078190","11.5987","0.0004","21.1484","0.0007","11.7603","0.0004","90","","102.226","0.001","90","","2819.3","0.17","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 B F4 N2 P2 Rh -","- C25 H42 B F4 N2 P2 Rh -","- C100 H168 B4 F16 N8 P8 Rh4 -","4","1","","Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David","N‒H Activation by Rh(I) via Metal‒Ligand Cooperation","Organometallics","2012","31","11","4083","4101","10.1021/om300248r","","","0.71073","MoKα","","0.0454","0.0288","","","0.0639","0.0708","","","","","","1.015","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078191","11.055","0.005","11.533","0.005","11.605","0.005","75.055","0.005","87.816","0.005","62.785","0.005","1265.8","1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 Al N -","- C29 H30 Al N -","- C58 H60 Al2 N2 -","2","1","","Zheng, Wenjun; Pi, Chengfu; Wu, Haishun","An Alkynylaminomethylaluminum Species with a Six-Membered Chair Conformation Al2C2N2Framework: A New Path to Geminal N/Al Frustrated Lewis Pairs","Organometallics","2012","31","10","4072","","10.1021/om200967e","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078192","9.892","0.007","10","0.006","16.95","0.006","92.02","0.04","103.59","0.04","117.61","0.04","1423.8","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl2 Ga2 N2 O4 -","- C29 H24 Cl2 Ga2 N2 O4 -","- C58 H48 Cl4 Ga4 N4 O8 -","2","1","","Kushwah, Nisha; Pal, Manoj K.; Wadawale, Amey; Sudarsan, V.; Manna, Debashree; Ghanty, Tapan K.; Jain, Vimal K.","Synthesis, Characterization, Photoluminescence, and Computational Studies of Monoorgano-Gallium and -Indium Complexes Containing Dianionic Tridentate ONE (E = O or S) Schiff Bases","Organometallics","2012","31","10","3836","","10.1021/om201030d","","","0.71069","MoKα","","0.1332","0.0591","","","0.1491","0.1958","","","","","","1.017","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078193","7.711","0.002","10","0.008","11.826","0.003","95.25","0.04","96.89","0.02","111.19","0.03","835.1","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 Ga2 N2 O6 -","- C32 H32 Cl4 Ga2 N2 O6 -","- C32 H32 Cl4 Ga2 N2 O6 -","1","0.5","","Kushwah, Nisha; Pal, Manoj K.; Wadawale, Amey; Sudarsan, V.; Manna, Debashree; Ghanty, Tapan K.; Jain, Vimal K.","Synthesis, Characterization, Photoluminescence, and Computational Studies of Monoorgano-Gallium and -Indium Complexes Containing Dianionic Tridentate ONE (E = O or S) Schiff Bases","Organometallics","2012","31","10","3836","","10.1021/om201030d","","","0.71069","MoKα","","0.0749","0.0455","","","0.1147","0.1286","","","","","","0.997","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078194","15.9761","0.0019","13.5978","0.0016","18.897","0.002","90","","90","","90","","4105.2","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 Cu Hg N2 O2 -","- C19 H20 Cl2 Cu Hg N2 O2 -","- C152 H160 Cl16 Cu8 Hg8 N16 O16 -","8","1","","Biswas, Saptarshi; Saha, Rajat; Ghosh, Ashutosh","Copper(II)‒Mercury(II) Heterometallic Complexes Derived from a Salen-Type Ligand: A New Coordination Mode of the Old Schiff Base Ligand","Organometallics","2012","31","10","3844","","10.1021/om201033q","","","0.71073","MoKα","","0.0577","0.0338","","","0.0826","0.0942","","","","","","1.025","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078195","20.64","0.0011","10.3043","0.0005","17.9554","0.0009","90","","91.095","0.002","90","","3818.1","0.3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C38 H40 Cl2 Cu2 Hg N4 O4 -","- C38 H40 Cl2 Cu2 Hg N4 O4 -","- C152 H160 Cl8 Cu8 Hg4 N16 O16 -","4","1","","Biswas, Saptarshi; Saha, Rajat; Ghosh, Ashutosh","Copper(II)‒Mercury(II) Heterometallic Complexes Derived from a Salen-Type Ligand: A New Coordination Mode of the Old Schiff Base Ligand","Organometallics","2012","31","10","3844","","10.1021/om201033q","","","0.71073","MoKα","","0.1488","0.0761","","","0.1862","0.2271","","","","","","1.024","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078196","9.378","0.005","9.902","0.005","20.42","0.005","90","","91.009","0.005","90","","1895.9","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Cl2 Cu2 Hg2 N4 O4 -","- C38 H38 Cl2 Cu2 Hg2 N4 O4 -","- C76 H76 Cl4 Cu4 Hg4 N8 O8 -","2","0.5","","Biswas, Saptarshi; Saha, Rajat; Ghosh, Ashutosh","Copper(II)‒Mercury(II) Heterometallic Complexes Derived from a Salen-Type Ligand: A New Coordination Mode of the Old Schiff Base Ligand","Organometallics","2012","31","10","3844","","10.1021/om201033q","","","0.71073","MoKα","","0.1122","0.1074","","","0.296","0.2985","","","","","","1.178","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078197","13.2772","0.0009","13.791","0.0008","18.256","0.001","90","","102.145","0.001","90","","3268","0.3","150.1","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H52 Si4 -","- C30 H52 Si4 -","- C120 H208 Si16 -","4","1","","Naka, Akinobu; Ohshita, Joji; Miyazaki, Eigo; Miura, Toshiko; Kobayashi, Hisayoshi; Ishikawa, Mitsuo","Stereochemistry of Disilanylene-Containing Cyclic Compounds. Palladium-Catalyzed Reactions ofcis- andtrans-3,4-Benzo-1,2-diisopropyl-1,2-dimethyl-1,2-disilacyclobut-3-ene with Ethylene","Organometallics","2012","31","9","3492","","10.1021/om201061x","","","0.7107","MoKα","","","0.102","","","","0.116","","","","","","3.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078198","11.4827","0.0003","19.1784","0.0004","29.1806","0.0006","90","","91.6079","0.0006","90","","6423.6","0.3","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 Si4 -","- C30 H52 Si4 -","- C240 H416 Si32 -","8","2","","Naka, Akinobu; Ohshita, Joji; Miyazaki, Eigo; Miura, Toshiko; Kobayashi, Hisayoshi; Ishikawa, Mitsuo","Stereochemistry of Disilanylene-Containing Cyclic Compounds. Palladium-Catalyzed Reactions ofcis- andtrans-3,4-Benzo-1,2-diisopropyl-1,2-dimethyl-1,2-disilacyclobut-3-ene with Ethylene","Organometallics","2012","31","9","3492","","10.1021/om201061x","","","0.71069","MoKα","","0.052","0.0446","","","0.1455","0.1545","","","","","","1.247","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078199","18.4364","0.0005","10.8024","0.0003","23.5115","0.0006","90","","95.386","0.001","90","","4661.8","0.2","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H138 Nd2 O12 -","- C103.976 H138 Nd2 O12 -","- C207.952 H276 Nd4 O24 -","2","0.5","","Deacon, Glen B.; Gardiner, Michael G.; Junk, Peter C.; Townley, Josh P.; Wang, Jun","Rare-Earth Metalation of Calix[4]pyrrole/Calix[4]arene Free of Alkali-Metal Companions","Organometallics","2012","31","10","3857","","10.1021/om2011134","","","0.71073","MoKα","","0.0883","0.0515","","","0.1006","0.1142","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078200","14.669","0.005","14.669","0.005","30.439","0.009","90","","90","","90","","6550","4","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C52 H80 N4 O4 Yb2 -","- C52 H80 N4 O4 Yb2 -","- C208 H320 N16 O16 Yb8 -","4","0.25","","Deacon, Glen B.; Gardiner, Michael G.; Junk, Peter C.; Townley, Josh P.; Wang, Jun","Rare-Earth Metalation of Calix[4]pyrrole/Calix[4]arene Free of Alkali-Metal Companions","Organometallics","2012","31","10","3857","","10.1021/om2011134","","","0.77487","Synchrotron","","0.0488","0.0428","","","0.1114","0.1158","","","","","","1.08","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078201","13.983","0.003","14.142","0.003","14.351","0.003","116.3","0.03","91.35","0.03","119.31","0.03","2110.9","1.5","173","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H128 N8 O4 Yb4 -","- C94 H128 N8 O4 Yb4 -","- C94 H128 N8 O4 Yb4 -","1","0.5","","Deacon, Glen B.; Gardiner, Michael G.; Junk, Peter C.; Townley, Josh P.; Wang, Jun","Rare-Earth Metalation of Calix[4]pyrrole/Calix[4]arene Free of Alkali-Metal Companions","Organometallics","2012","31","10","3857","","10.1021/om2011134","","","0.71073","Synchrotron","","0.0362","0.0342","","","0.0725","0.0735","","","","","","1.121","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078202","15.6071","0.0003","14.4245","0.0003","19.1631","0.0004","90","","109.035","0.001","90","","4078.19","0.15","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H130 La2 N8 O4 -","- C88 H130 La2 N8 O4 -","- C176 H260 La4 N16 O8 -","2","0.5","","Deacon, Glen B.; Gardiner, Michael G.; Junk, Peter C.; Townley, Josh P.; Wang, Jun","Rare-Earth Metalation of Calix[4]pyrrole/Calix[4]arene Free of Alkali-Metal Companions","Organometallics","2012","31","10","3857","","10.1021/om2011134","","","0.71073","MoKα","","0.0519","0.04","","","0.0934","0.1001","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078203","10.0771","0.0005","16.5047","0.0009","15.2788","0.0008","90","","96.256","0.001","90","","2526","0.2","123","1","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C54 H73 K3 N4 O -","- C54 H74 K3 N4 O -","- C108 H148 K6 N8 O2 -","2","0.5","","Deacon, Glen B.; Gardiner, Michael G.; Junk, Peter C.; Townley, Josh P.; Wang, Jun","Rare-Earth Metalation of Calix[4]pyrrole/Calix[4]arene Free of Alkali-Metal Companions","Organometallics","2012","31","10","3857","","10.1021/om2011134","","","0.71073","MoKα","","0.056","0.0452","","","0.1124","0.1203","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078204","7.7966","0.0004","31.8493","0.0015","11.5616","0.0005","90","","90","","90","","2870.9","0.2","155","2","155","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H24 Fe4 O6 P2 -","- C28 H24 Fe4 O6 P2 -","- C112 H96 Fe16 O24 P8 -","4","1","","Gimbert-Suriñach, Carolina; Bhadbhade, Mohan; Colbran, Stephen B.","Bridgehead Hydrogen Atoms Are Important: Unusual Electrochemistry and Proton Reduction at Iron Dimers with Ferrocenyl-Substituted Phosphido Bridges","Organometallics","2012","31","9","3480","","10.1021/om201126w","","","0.71073","MoKα","","0.0734","0.043","","","0.0716","0.0808","","","","","","1.059","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078205","10.7691","0.0014","23.718","0.003","12.0221","0.0014","90","","106.688","0.012","90","","2941.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 F12 N5 P2 Ru -","- C24 H27 F12 N5 P2 Ru -","- C96 H108 F48 N20 P8 Ru4 -","4","1","","Betanzos-Lara, Soledad; Salassa, Luca; Habtemariam, Abraha; Novakova, Olga; Pizarro, Ana M.; Clarkson, Guy J.; Liskova, Barbora; Brabec, Viktor; Sadler, Peter J.","Photoactivatable Organometallic Pyridyl Ruthenium(II) Arene Complexes","Organometallics","2012","31","9","3466","","10.1021/om201177y","","","0.71073","MoKα","","0.0716","0.0446","","","0.0988","0.1101","","","","","","1.051","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078206","37.0577","0.0009","8.6964","0.0002","20.0783","0.0005","90","","95.974","0.002","90","","6435.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 F12 N5 P2 Ru -","- C30 H27 F12 N5 P2 Ru -","- C240 H216 F96 N40 P16 Ru8 -","8","1","","Betanzos-Lara, Soledad; Salassa, Luca; Habtemariam, Abraha; Novakova, Olga; Pizarro, Ana M.; Clarkson, Guy J.; Liskova, Barbora; Brabec, Viktor; Sadler, Peter J.","Photoactivatable Organometallic Pyridyl Ruthenium(II) Arene Complexes","Organometallics","2012","31","9","3466","","10.1021/om201177y","","","0.71073","MoKα","","0.0512","0.0349","","","0.0847","0.0877","","","","","","0.984","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078207","15.5359","0.0002","11.15838","0.00017","16.4506","0.0002","90","","96.4121","0.0013","90","","2833.96","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 F12 N7 O P2 Ru -","- C21 H23 F12 N7 O P2 Ru -","- C84 H92 F48 N28 O4 P8 Ru4 -","4","1","","Betanzos-Lara, Soledad; Salassa, Luca; Habtemariam, Abraha; Novakova, Olga; Pizarro, Ana M.; Clarkson, Guy J.; Liskova, Barbora; Brabec, Viktor; Sadler, Peter J.","Photoactivatable Organometallic Pyridyl Ruthenium(II) Arene Complexes","Organometallics","2012","31","9","3466","","10.1021/om201177y","","","0.71073","MoKα","","0.0396","0.0307","","","0.0805","0.0829","","","","","","1.062","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078208","11.90151","0.00012","18.89949","0.00016","16.67645","0.00019","90","","103.105","0.001","90","","3653.38","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F12 N3 O2 P2 Ru -","- C33 H39 F12 N3 O2 P2 Ru -","- C132 H156 F48 N12 O8 P8 Ru4 -","4","1","","Betanzos-Lara, Soledad; Salassa, Luca; Habtemariam, Abraha; Novakova, Olga; Pizarro, Ana M.; Clarkson, Guy J.; Liskova, Barbora; Brabec, Viktor; Sadler, Peter J.","Photoactivatable Organometallic Pyridyl Ruthenium(II) Arene Complexes","Organometallics","2012","31","9","3466","","10.1021/om201177y","","","0.71073","MoKα","","0.0425","0.0309","","","0.0769","0.0792","","","","","","1.075","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078209","11.3406","0.0002","19.5778","0.0003","12.3483","0.0003","90","","107.067","0.0019","90","","2620.88","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 F12 N3 P2 Ru -","- C24 H23 F12 N3 P2 Ru -","- C96 H92 F48 N12 P8 Ru4 -","4","1","","Betanzos-Lara, Soledad; Salassa, Luca; Habtemariam, Abraha; Novakova, Olga; Pizarro, Ana M.; Clarkson, Guy J.; Liskova, Barbora; Brabec, Viktor; Sadler, Peter J.","Photoactivatable Organometallic Pyridyl Ruthenium(II) Arene Complexes","Organometallics","2012","31","9","3466","","10.1021/om201177y","","","0.71073","MoKα","","0.0356","0.0283","","","0.0716","0.0732","","","","","","1.065","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078210","16.333","0.006","17.115","0.007","16.18","0.006","90","","95.05","0.005","90","","4505","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Ag Br N12 O -","- C50 H40 Ag Br N12 O -","- C200 H160 Ag4 Br4 N48 O4 -","4","0.5","","Cui, Fengjuan; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","Homometallic Silver(I) Complexes of a Heterotopic NHC-Bridged Bis-Bipyridine Ligand","Organometallics","2012","31","9","3512","","10.1021/om201226s","","","0.71073","MoKα","","0.0789","0.0692","","","0.2424","0.2536","","","","","","1.096","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078211","12.898","0.003","8.587","0.002","24.578","0.005","90","","109.296","0.01","90","","2569.2","1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Ag2 F12 N12 P2 -","- C50 H40 Ag2 F12 N12 P2 -","- C100 H80 Ag4 F24 N24 P4 -","2","0.5","","Cui, Fengjuan; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","Homometallic Silver(I) Complexes of a Heterotopic NHC-Bridged Bis-Bipyridine Ligand","Organometallics","2012","31","9","3512","","10.1021/om201226s","","","0.71073","MoKα","","0.0981","0.0892","","","0.2263","0.2306","","","","","","1.158","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078212","13.104","0.004","20.995","0.007","31.011","0.01","90","","91.163","0.005","90","","8530","5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C200 H160 Ag4 B4 N26 O -","- C200 H160 Ag4 B4 N26 O -","- C400 H320 Ag8 B8 N52 O2 -","2","0.5","","Cui, Fengjuan; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","Homometallic Silver(I) Complexes of a Heterotopic NHC-Bridged Bis-Bipyridine Ligand","Organometallics","2012","31","9","3512","","10.1021/om201226s","","","0.71073","MoKα","","0.1619","0.0892","","","0.205","0.2311","","","","","","1.054","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078213","11.265","0.002","11.398","0.002","13.912","0.003","107.576","0.002","95.772","0.002","105.009","0.002","1613.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Ag3 F18 N16 P3 -","- C58 H52 Ag3 F18 N16 P3 -","- C58 H52 Ag3 F18 N16 P3 -","1","0.5","","Cui, Fengjuan; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","Homometallic Silver(I) Complexes of a Heterotopic NHC-Bridged Bis-Bipyridine Ligand","Organometallics","2012","31","9","3512","","10.1021/om201226s","","","0.71073","MoKα","","0.0757","0.0617","","","0.1873","0.201","","","","","","1.012","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078214","34.156","0.007","10.371","0.002","27.318","0.006","90","","98.05","0.03","90","","9582","3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H82 F3 N6 O13 Ru4 S -","- C83 H82 F3 N6 O13 Ru4 S -","- C332 H328 F12 N24 O52 Ru16 S4 -","4","1","","Mishra, Anurag; Jung, Hyunji; Park, Jeong Woo; Kim, Hong Kyeung; Kim, Hyunuk; Stang, Peter J.; Chi, Ki-Whan","Anticancer Activity of Self-Assembled Molecular Rectangles via Arene-Ruthenium Acceptors and a New Unsymmetrical Amide Ligand.","Organometallics","2012","31","9","3519","3526","10.1021/om2012826","","","1","synchrotron","","0.1148","0.0946","","","0.269","0.2883","","","","","","1.19","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078215","15.2967","0.0007","12.8601","0.0006","15.8369","0.0008","90","","102.191","0.003","90","","3045.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 Pt Si -","- C14 H20 N2 Pt Si -","- C112 H160 N16 Pt8 Si8 -","8","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0657","0.0469","","","0.1124","0.123","","","","","","1.003","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078216","14.36","0.003","15.182","0.003","17.02","0.003","90","","111.19","0.03","90","","3459.7","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13.1 H14 Br2.9 N2 Pt Si -","- C13.1 H14 Br2.9 N2 Pt Si -","- C104.8 H112 Br23.2 N16 Pt8 Si8 -","8","2","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.1249","0.0743","","","0.1957","0.2207","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078217","9.3692","0.0003","13.796","0.0005","14.4724","0.0005","90","","100.964","0.002","90","","1836.52","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 I2 N2 Pt Si -","- C14 H20 I2 N2 Pt Si -","- C56 H80 I8 N8 Pt4 Si4 -","4","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0594","0.0507","","","0.1369","0.1429","","","","","","1.065","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078218","8.1838","0.0016","8.3091","0.0017","13.131","0.003","79.72","0.03","89.37","0.03","60.64","0.03","762.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 I N2 Pt -","- C13 H19 I N2 Pt -","- C26 H38 I2 N4 Pt2 -","2","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0774","0.0502","","","0.1047","0.1164","","","","","","1.089","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078219","9.4577","0.0003","11.2012","0.0004","11.2937","0.0004","80.136","0.002","70.691","0.002","82.773","0.002","1109.35","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H25 F3 N2 O4 Pt S Si -","- C16 H25 F3 N2 O4 Pt S Si -","- C32 H50 F6 N4 O8 Pt2 S2 Si2 -","2","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0271","0.0195","","","0.0344","0.036","","","","","","1.042","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078220","13.855","0.003","14.006","0.003","15.074","0.003","90","","90","","90","","2925.2","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cl2 N2 Pt Si -","- C12 H14 Cl2 N2 Pt Si -","- C96 H112 Cl16 N16 Pt8 Si8 -","8","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0994","0.0631","","","0.1583","0.1823","","","","","","1.079","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078221","11.812","0.002","13.535","0.003","16.7","0.003","79.94","0.03","80.78","0.03","79.76","0.03","2563.9","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H39 B F18 N4 O2 Pt2 Si2 -","- C47 H39 B F18 N4 O2 Pt2 Si2 -","- C94 H78 B2 F36 N8 O4 Pt4 Si4 -","2","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0673","0.0437","","","0.0972","0.1062","","","","","","1.05","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078222","14.305","0.003","10.13","0.002","14.985","0.003","90","","99.04","0.03","90","","2144.5","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O3 Pt Si -","- C21 H26 N2 O3 Pt Si -","- C84 H104 N8 O12 Pt4 Si4 -","4","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0366","0.0298","","","0.0732","0.0824","","","","","","1.071","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078223","15.042","0.003","10.687","0.002","16.519","0.003","90","","115.76","0.03","90","","2391.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H67 O3 P2 Ru -","- C53 H67 O3 P2 Ru -","- C106 H134 O6 P4 Ru2 -","2","1","","Vaquero, Mónica; Vargas, Sergio; Suárez, Andrés; Garc\?ía-Garrido, Sergio E.; Álvarez, Eleuterio; Mancera, Manuel; Pizzano, Antonio","Synthesis, Characterization, and Reactivity of Ruthenium Bis-Allyl Complexes with Chiral Phosphine-Phosphite Ligands","Organometallics","2012","31","9","3551","","10.1021/om300018s","","","0.71073","MoKα","","0.0496","0.0443","","","0.1109","0.1151","","","","","","1.038","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078224","14.2819","0.0003","9.155","0.0002","28.3217","0.0005","90","","99.992","0.001","90","","3646.92","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H110 O6 P4 Ru2 -","- C78 H110 O6 P4 Ru2 -","- C156 H220 O12 P8 Ru4 -","2","1","","Vaquero, Mónica; Vargas, Sergio; Suárez, Andrés; Garc\?ía-Garrido, Sergio E.; Álvarez, Eleuterio; Mancera, Manuel; Pizzano, Antonio","Synthesis, Characterization, and Reactivity of Ruthenium Bis-Allyl Complexes with Chiral Phosphine-Phosphite Ligands","Organometallics","2012","31","9","3551","","10.1021/om300018s","","","0.71073","MoKα","","0.0278","0.0265","","","0.0636","0.0642","","","","","","1.09","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078225","12.9499","0.0002","32.0139","0.0006","13.2115","0.0002","90","","96.143","0.001","90","","5445.73","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C224 H230 Cl20 O17 P8 Ru4 -","- C224 H230 Cl20 O17 P8 Ru4 -","- C224 H230 Cl20 O17 P8 Ru4 -","1","0.25","","Vaquero, Mónica; Vargas, Sergio; Suárez, Andrés; Garc\?ía-Garrido, Sergio E.; Álvarez, Eleuterio; Mancera, Manuel; Pizzano, Antonio","Synthesis, Characterization, and Reactivity of Ruthenium Bis-Allyl Complexes with Chiral Phosphine-Phosphite Ligands","Organometallics","2012","31","9","3551","","10.1021/om300018s","","","0.71073","MoKα","","0.0556","0.0421","","","0.1082","0.1168","","","","","","1.046","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078226","30.8813","0.0011","11.158","0.0004","22.3386","0.0008","90","","104.853","0.002","90","","7440.1","0.5","103","2","103","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H44 N2 O P2 S Si Sn -","- C39 H44 N2 O P2 S Si Sn -","- C312 H352 N16 O8 P16 S8 Si8 Sn8 -","8","1","","Guo, Jia-Yi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)methanediide Complex toward Isocyanates and Rhodium(I) Chloride","Organometallics","2012","31","10","3888","","10.1021/om300062n","","","0.71073","MoKα","","0.0948","0.0612","","","0.1625","0.1916","","","","","","1.351","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078227","11.7899","0.0002","16.7568","0.0003","20.4015","0.0003","90","","97.572","0.001","90","","3995.39","0.12","103","2","103","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H47 Cl4 N P2 Rh S Si Sn -","- C37.5 H43 Cl4 N P2 Rh S Si Sn -","- C150 H172 Cl16 N4 P8 Rh4 S4 Si4 Sn4 -","4","1","","Guo, Jia-Yi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)methanediide Complex toward Isocyanates and Rhodium(I) Chloride","Organometallics","2012","31","10","3888","","10.1021/om300062n","","","0.71073","MoKα","","0.0412","0.029","","","0.0657","0.0704","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078228","9.4127","0.0003","21.5662","0.0006","19.0244","0.0005","90","","95.348","0.001","90","","3845.07","0.19","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 N2 O P2 S Si Sn -","- C41 H46 N2 O P2 S Si Sn -","- C164 H184 N8 O4 P8 S4 Si4 Sn4 -","4","1","","Guo, Jia-Yi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)methanediide Complex toward Isocyanates and Rhodium(I) Chloride","Organometallics","2012","31","10","3888","","10.1021/om300062n","","","0.71073","MoKα","","0.0507","0.0333","","","0.0779","0.0928","","","","","","1.082","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078229","20.875","0.005","8.8602","0.0017","5.2408","0.0011","90","","102.626","0.018","90","","945.9","0.4","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 B N5 O4 S2 -","- C16 H18 B N5 O4 S2 -","- C32 H36 B2 N10 O8 S4 -","2","0.5","","Filthaus, Matthias; Schwertmann, Larissa; Neuhaus, Patrik; Seidel, Rüdiger W.; Oppel, Iris M.; Bettinger, Holger F.","C‒H Bond Amination by Photochemically Generated Transient Borylnitrenes at Room Temperature: A Combined Experimental and Theoretical Investigation of the Insertion Mechanism and Influence of Substituents","Organometallics","2012","31","10","3894","","10.1021/om300063y","","","0.71073","MoKα","","0.082","0.0641","","","0.1573","0.1649","","","","","","1.054","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078230","6.1606","0.0007","10.5917","0.0013","11.0973","0.0016","80.183","0.017","87.508","0.011","76.776","0.01","694.58","0.16","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H26 B N O2 -","- C13 H26 B N O2 -","- C26 H52 B2 N2 O4 -","2","1","","Filthaus, Matthias; Schwertmann, Larissa; Neuhaus, Patrik; Seidel, Rüdiger W.; Oppel, Iris M.; Bettinger, Holger F.","C‒H Bond Amination by Photochemically Generated Transient Borylnitrenes at Room Temperature: A Combined Experimental and Theoretical Investigation of the Insertion Mechanism and Influence of Substituents","Organometallics","2012","31","10","3894","","10.1021/om300063y","","","0.71073","MoKα","","0.1098","0.073","","","0.1998","0.2107","","","","","","1.013","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078231","6.6762","0.0011","9.5002","0.0015","9.5558","0.0017","108.021","0.015","110.272","0.016","91.24","0.013","534.98","0.18","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 Cl4 O5 -","- C6 H8 Cl4 O5 -","- C12 H16 Cl8 O10 -","2","1","","Filthaus, Matthias; Schwertmann, Larissa; Neuhaus, Patrik; Seidel, Rüdiger W.; Oppel, Iris M.; Bettinger, Holger F.","C‒H Bond Amination by Photochemically Generated Transient Borylnitrenes at Room Temperature: A Combined Experimental and Theoretical Investigation of the Insertion Mechanism and Influence of Substituents","Organometallics","2012","31","10","3894","","10.1021/om300063y","","","0.71073","MoKα","","0.0412","0.0344","","","0.1018","0.1067","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078232","10.1458","0.0009","16.7946","0.0015","17.6451","0.0015","91.249","0.002","93.49","0.002","92.907","0.002","2996.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H35 F Li O10 P Si2 W -","- C20 H35 F Li O10 P Si2 W -","- C80 H140 F4 Li4 O40 P4 Si8 W4 -","4","2","","Nesterov, Vitaly; Schwieger, Sebastian; Schnakenburg, Gregor; Grimme, Stefan; Streubel, Rainer","SET Oxidation of Li/X Phosphinidenoid Complexes by TEMPO","Organometallics","2012","31","9","3457","","10.1021/om300099g","","","0.71073","MoKα","","0.0526","0.0494","","","0.1329","0.1363","","","","","","1.088","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078233","12.7563","0.0006","20.7282","0.0007","12.9136","0.0006","90","","119.045","0.003","90","","2985.1","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 Li O12 P Si W -","- C21 H38 Li O12 P Si W -","- C84 H152 Li4 O48 P4 Si4 W4 -","4","1","","Nesterov, Vitaly; Schwieger, Sebastian; Schnakenburg, Gregor; Grimme, Stefan; Streubel, Rainer","SET Oxidation of Li/X Phosphinidenoid Complexes by TEMPO","Organometallics","2012","31","9","3457","","10.1021/om300099g","","","0.71073","MoKα","","0.0395","0.0301","","","0.0727","0.0752","","","","","","0.963","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078234","13.5055","0.0006","16.7314","0.0008","17.2324","0.0008","90","","97.638","0.001","90","","3859.4","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H20 Au Ir4 O11 P -","- C35 H20 Au Ir4 O11 P -","- C140 H80 Au4 Ir16 O44 P4 -","4","1","","Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng","Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement","Organometallics","2012","31","9","3588","","10.1021/om3001026","","","0.71073","MoKα","","0.038","0.0297","","","0.0727","0.0778","","","","","","1.002","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078235","10.225","0.0004","15.1704","0.0006","19.2345","0.0007","94.858","0.001","102.439","0.001","98.277","0.001","2862.48","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 Au2 Ir4 O10 P2 -","- C58 H42 Au2 Ir4 O10 P2 -","- C116 H84 Au4 Ir8 O20 P4 -","2","1","","Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng","Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement","Organometallics","2012","31","9","3588","","10.1021/om3001026","","","0.71073","MoKα","","0.0885","0.0613","","","0.1634","0.1984","","","","","","1.081","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078236","13.3377","0.0003","13.3377","0.0003","48.755","0.002","90","","90","","120","","7511.2","0.4","294","2","294","2","","","","","","","","6","P 65","P 65","170","","","","- C47 H30 Au2 Ir4 O11 P2 -","- C47 H30 Au2 Ir4 O11 P2 -","- C282 H180 Au12 Ir24 O66 P12 -","6","1","","Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng","Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement","Organometallics","2012","31","9","3588","","10.1021/om3001026","","","0.71073","MoKα","","0.061","0.0519","","","0.1146","0.1187","","","","","","1.058","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078237","15.858","0.0008","23.855","0.0013","17.3821","0.0009","90","","95.644","0.001","90","","6543.6","0.6","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H46 Au2 Cl2 Ir4 O10 P3 -","- C65 H46 Au2 Cl2 Ir4 O10 P3 -","- C260 H184 Au8 Cl8 Ir16 O40 P12 -","4","1","","Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng","Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement","Organometallics","2012","31","9","3588","","10.1021/om3001026","","","0.71073","MoKα","","0.0567","0.0432","","","0.1065","0.1147","","","","","","1.061","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078238","13.7892","0.0014","13.9054","0.0014","17.8443","0.0018","85.321","0.002","75.087","0.002","65.024","0.002","2995.7","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 Au2 Ir4 O9 P3 -","- C60 H42 Au2 Ir4 O9 P3 -","- C120 H84 Au4 Ir8 O18 P6 -","2","1","","Adams, Richard D.; Chen, Mingwei; Yang, Xinzheng","Iridium‒Gold Cluster Compounds: Syntheses, Structures, and an Unusual Ligand-Induced Skeletal Rearrangement","Organometallics","2012","31","9","3588","","10.1021/om3001026","","","0.71073","MoKα","","0.0831","0.058","","","0.128","0.1398","","","","","","1.087","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078239","9.9905","0.001","22.494","0.003","13.6491","0.0015","90","","97.129","0.003","90","","3043.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cl Ir N2 O6 -","- C31 H40 Cl Ir N2 O6 -","- C124 H160 Cl4 Ir4 N8 O24 -","4","1","","Azua, Arturo; Mata, Jose A.; Peris, Eduardo; Lamaty, Frederic; Martinez, Jean; Colacino, Evelina","Alternative Energy Input for Transfer Hydrogenation using Iridium NHC Based Catalysts in Glycerol as Hydrogen Donor and Solvent","Organometallics","2012","31","10","3911","","10.1021/om300109e","","","0.71073","MOKα","","0.114","0.0574","","","0.1275","0.157","","","","","","1.053","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078240","23.0092","0.0004","7.85644","0.00012","14.5126","0.0002","90","","104.176","0.0016","90","","2543.56","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl Ir N2 O3 -","- C25 H36 Cl Ir N2 O3 -","- C100 H144 Cl4 Ir4 N8 O12 -","4","1","","Azua, Arturo; Mata, Jose A.; Peris, Eduardo; Lamaty, Frederic; Martinez, Jean; Colacino, Evelina","Alternative Energy Input for Transfer Hydrogenation using Iridium NHC Based Catalysts in Glycerol as Hydrogen Donor and Solvent","Organometallics","2012","31","10","3911","","10.1021/om300109e","","","0.71073","MOKα","","0.0359","0.0268","","","0.0546","0.0592","","","","","","1.047","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078241","7.8446","0.0009","28.21","0.002","8.2365","0.001","90","","114.61","0.014","90","","1657.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H43 Cl2 Ir N2 O6 -","- C33 H43 Cl2 Ir N2 O6 -","- C66 H86 Cl4 Ir2 N4 O12 -","2","0.5","","Azua, Arturo; Mata, Jose A.; Peris, Eduardo; Lamaty, Frederic; Martinez, Jean; Colacino, Evelina","Alternative Energy Input for Transfer Hydrogenation using Iridium NHC Based Catalysts in Glycerol as Hydrogen Donor and Solvent","Organometallics","2012","31","10","3911","","10.1021/om300109e","","","0.71073","MOKα","","0.1048","0.0654","","","0.1155","0.1302","","","","","","1.05","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078242","11.6533","0.0001","19.0689","0.0001","15.6811","0.0001","90","","104.075","0.001","90","","3379.97","0.04","120","2","120","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C25 H37 Cl3 F6 Ir N4 O5 P -","- C25 H37 Cl3 F6 Ir N4 O5 P -","- C100 H148 Cl12 F24 Ir4 N16 O20 P4 -","4","2","","Paredes, Paloma; Vega, Esmeralda; Díez, Josefina; Gamasa, M. Pilar","Multiple Carbon‒Carbon and Carbon‒Metal Bond Formation from an Iridium-pybox Complex and Electron-Poor Terminal Alkynes: Synthesis of Iridium Complexes with a Novel κ4N,N,N,C Tetradentate Ligand","Organometallics","2012","31","9","3798","","10.1021/om3001108","","","1.54184","CuKα","","0.0284","0.0259","","","0.0642","0.07","","","","","","1.079","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078243","18.741","0.002","11.1949","0.0012","32.174","0.003","90","","101.875","0.001","90","","6605.8","1.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H53 Cl Ni P2 Si -","- C30 H53 Cl Ni P2 Si -","- C240 H424 Cl8 Ni8 P16 Si8 -","8","1","","Beck, Robert; Johnson, Samuel A.","Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation","Organometallics","2012","31","9","3599","","10.1021/om300120x","","","0.71073","MoKα","","0.0633","0.0498","","","0.0998","0.108","","","","","","1.093","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078244","11.713","0.002","17.723","0.004","10.674","0.002","90","","108.04","0.03","90","","2106.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 Ni2 P2 Si2 -","- C42 H64 Ni2 P2 Si2 -","- C84 H128 Ni4 P4 Si4 -","2","0.5","","Beck, Robert; Johnson, Samuel A.","Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation","Organometallics","2012","31","9","3599","","10.1021/om300120x","","","0.71073","MoKα","","0.033","0.0295","","","0.0738","0.077","","","","","","1.05","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078245","29.199","0.003","29.199","0.003","29.199","0.003","90","","90","","90","","24895","4","173","2","173","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C54 H102 Ni4 P4 Si3 -","- C54 H102 Ni4 P4 Si3 -","- C864 H1632 Ni64 P64 Si48 -","16","0.333333","","Beck, Robert; Johnson, Samuel A.","Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation","Organometallics","2012","31","9","3599","","10.1021/om300120x","","","0.71073","MoKα","","0.0349","0.0316","","","0.0778","0.0822","","","","","","1.087","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078246","15.1577","0.0012","15.1577","0.0012","14.868","0.002","90","","90","","90","","3416","0.6","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C60 H108 Ni5 P4 Si4 -","- C60 H107.591 Ni5 P4 Si4 -","- C120 H215.182 Ni10 P8 Si8 -","2","0.25","","Beck, Robert; Johnson, Samuel A.","Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation","Organometallics","2012","31","9","3599","","10.1021/om300120x","","","0.71073","MoKα","","0.029","0.0275","","","0.0668","0.0685","","","","","","1.071","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078247","15.2973","0.0018","15.2853","0.0018","17.426","0.002","90","","117.461","0.001","90","","3615.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Ni2 P2 Si -","- C36 H58 Ni2 P2 Si -","- C144 H232 Ni8 P8 Si4 -","4","1","","Beck, Robert; Johnson, Samuel A.","Structural Similarities in Dinuclear, Tetranuclear, and Pentanuclear Nickel Silyl and Silylene Complexes Obtained via Si‒H and Si‒C Activation","Organometallics","2012","31","9","3599","","10.1021/om300120x","","","0.71073","MoKα","","0.1096","0.0665","","","0.1241","0.1406","","","","","","1.04","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078248","9.9086","0.0011","9.2532","0.001","22.278","0.002","90","","95.895","0.002","90","","2031.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Ir(TTP)(CO)NCS (Compound #6)","","","- C50 H36 Ir N5 O S -","- C50 H36 Ir N5 O S -","- C100 H72 Ir2 N10 O2 S2 -","2","1","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Olefin Cyclopropanation Catalyzed by Iridium(III) Porphyrin Complexes","Organometallics","2012","31","9","3628","","10.1021/om300135f","","","0.71073","MoKα","","0.0829","0.0773","","","0.164","0.1686","","","","","","1.133","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078249","14.643","0.0007","14.643","0.0007","9.6955","0.0005","90","","90","","90","","2078.88","0.18","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","Ir(TTP)(CO)Br (Compound #4)","","","- C49 H36 Br Ir N4 O -","- C49 H36 Br Ir N4 O -","- C98 H72 Br2 Ir2 N8 O2 -","2","0.125","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Olefin Cyclopropanation Catalyzed by Iridium(III) Porphyrin Complexes","Organometallics","2012","31","9","3628","","10.1021/om300135f","","","0.71073","MoKα","","0.0282","0.0282","","","0.076","0.076","","","","","","1.154","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078250","14.6955","0.0005","14.6955","0.0005","9.7922","0.0004","90","","90","","90","","2114.7","0.13","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","Ir(TTP)(CO)I (Compound","","","- C49 H36 I Ir N4 O -","- C49 H36 I Ir N4 O -","- C98 H72 I2 Ir2 N8 O2 -","2","0.125","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Olefin Cyclopropanation Catalyzed by Iridium(III) Porphyrin Complexes","Organometallics","2012","31","9","3628","","10.1021/om300135f","","","0.71073","MoKα","","0.0477","0.0471","","","0.1362","0.1366","","","","","","1.346","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078251","13.0353","0.0011","15.4171","0.0013","24.578","0.002","90","","102.061","0.001","90","","4830.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ir(TTP)(NMe3)Cl (Compound #3)","","","- C53 H49 Cl5 Ir N5 -","- C53 H49 Cl5 Ir N5 -","- C212 H196 Cl20 Ir4 N20 -","4","1","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Olefin Cyclopropanation Catalyzed by Iridium(III) Porphyrin Complexes","Organometallics","2012","31","9","3628","","10.1021/om300135f","","","0.71073","MoKα","","0.0303","0.024","","","0.0606","0.0645","","","","","","1.08","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078252","16.5418","0.0012","8.6422","0.0006","18.1648","0.0014","90","","91.901","0.004","90","","2595.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cl4 N4 O2 Ru2 -","- C52 H62 Cl4 N4 O2 Ru2 -","- C104 H124 Cl8 N8 O4 Ru4 -","2","0.5","","Grudzień, Krzysztof; Malinska, Maura; Barbasiewicz, Michał","Synthesis and Properties of Bimetallic Hoveyda‒Grubbs Metathesis Catalysts","Organometallics","2012","31","9","3636","","10.1021/om3001372","","","0.71073","MoKα","","0.0377","0.0302","","","0.0813","0.092","","","","","","1.116","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078253","36.8474","0.001","70.458","0.002","11.8778","0.0004","90","","90","","90","","30837.1","1.6","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H46 Cl2 N2 O2 Ru -","- C38 H46 Cl2 N2 O2 Ru -","- C1216 H1472 Cl64 N64 O64 Ru32 -","32","2","","Grudzień, Krzysztof; Malinska, Maura; Barbasiewicz, Michał","Synthesis and Properties of Bimetallic Hoveyda‒Grubbs Metathesis Catalysts","Organometallics","2012","31","9","3636","","10.1021/om3001372","","","0.71073","MoKα","","0.0388","0.0343","","","0.0793","0.0814","","","","","","1.047","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078254","12.507","0.003","10.265","0.002","14","0.003","90","","102.64","0.03","90","","1753.8","0.7","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 2","","","- C9 H29 Cl Ir P3 -","- C9 H29 Cl Ir P3 -","- C36 H116 Cl4 Ir4 P12 -","4","1","","Merola, Joseph S.; Husebo, Trang Le; Matthews, Kelly E.","Aqueous Organometallic Chemistry ofmer-Ir(H)2(PMe3)3X Complexes","Organometallics","2012","31","10","3920","","10.1021/om300140f","","","0.71073","MoKα","","0.0473","0.0387","","","0.0953","0.1005","","","","","","1.04","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078255","11.827","0.003","12.535","0.003","14.506","0.003","90","","90","","90","","2150.5","0.9","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compopund 4d","","","- C15 H35 Cl Ir P3 -","- C15 H35 Cl Ir P3 -","- C60 H140 Cl4 Ir4 P12 -","4","1","","Merola, Joseph S.; Husebo, Trang Le; Matthews, Kelly E.","Aqueous Organometallic Chemistry ofmer-Ir(H)2(PMe3)3X Complexes","Organometallics","2012","31","10","3920","","10.1021/om300140f","","","0.71073","MoKα","","0.0364","0.0292","","","0.0647","0.0674","","","","","","1.039","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078256","8.489","0.007","11.995","0.005","14.916","0.007","84.08","0.04","76.51","0.05","71.39","0.05","1399","1.5","298","","298","","","","","","","","","5","P -1","-P 1","2","Compound 9","","","- C22 H44 Ir O2 P3 -","- C22 H43 Ir O2 P3 -","- C44 H86 Ir2 O4 P6 -","2","1","","Merola, Joseph S.; Husebo, Trang Le; Matthews, Kelly E.","Aqueous Organometallic Chemistry ofmer-Ir(H)2(PMe3)3X Complexes","Organometallics","2012","31","10","3920","","10.1021/om300140f","","","0.71073","MoKα","","0.0842","0.0495","","","0.0882","0.0994","","","","","","1.005","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078257","7.2906","0.0004","16.5411","0.0009","17.4266","0.0015","90","","98.898","0.002","90","","2076.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 F3 N3 O6 Pd S -","- C15 H18 F3 N3 O6 Pd S -","- C60 H72 F12 N12 O24 Pd4 S4 -","4","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Ortho Palladation of the Phenethylamines of Biological Relevancel-Tyrosine Methyl Ester and Homoveratrylamine. Reactivity of the Palladacycles toward CO and Isocyanides. Synthesis of the Natural Alkaloid Corydaldine","Organometallics","2012","31","9","3647","","10.1021/om300141b","","","0.71073","MoKα","","0.0713","0.0556","","","0.1066","0.1122","","","","","","1.129","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078258","10.1867","0.0005","12.514","0.006","13.6052","0.0007","66.454","0.002","79.382","0.002","77.703","0.002","1543.9","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 N O5 P Pd -","- C30 H30 N O5 P Pd -","- C60 H60 N2 O10 P2 Pd2 -","2","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Ortho Palladation of the Phenethylamines of Biological Relevancel-Tyrosine Methyl Ester and Homoveratrylamine. Reactivity of the Palladacycles toward CO and Isocyanides. Synthesis of the Natural Alkaloid Corydaldine","Organometallics","2012","31","9","3647","","10.1021/om300141b","","","0.71073","MoKα","","0.0437","0.0377","","","0.0927","0.095","","","","","","1.052","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078259","8.334","0.0008","8.4418","0.0008","17.1024","0.0017","93.04","0.002","100.487","0.002","93.215","0.002","1178.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Br2 N2 O4 Pd -","- C20 H30 Br2 N2 O4 Pd -","- C40 H60 Br4 N4 O8 Pd2 -","2","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Ortho Palladation of the Phenethylamines of Biological Relevancel-Tyrosine Methyl Ester and Homoveratrylamine. Reactivity of the Palladacycles toward CO and Isocyanides. Synthesis of the Natural Alkaloid Corydaldine","Organometallics","2012","31","9","3647","","10.1021/om300141b","","","0.71073","MoKα","","0.0361","0.0328","","","0.069","0.0704","","","","","","1.12","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078260","16.5114","0.0007","5.3548","0.0002","16.3972","0.0007","90","","109.139","0.002","90","","1369.63","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N2 O10 Pd -","- C24 H40 N2 O10 Pd -","- C48 H80 N4 O20 Pd2 -","2","0.5","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Ortho Palladation of the Phenethylamines of Biological Relevancel-Tyrosine Methyl Ester and Homoveratrylamine. Reactivity of the Palladacycles toward CO and Isocyanides. Synthesis of the Natural Alkaloid Corydaldine","Organometallics","2012","31","9","3647","","10.1021/om300141b","","","0.71073","MoKα","","0.0327","0.0301","","","0.0657","0.0671","","","","","","1.117","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078261","10.7469","0.0009","12.5246","0.0011","12.5931","0.0011","79.641","0.002","82.117","0.002","81.423","0.002","1638.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 N O6 P Pd -","- C32 H36 N O6 P Pd -","- C64 H72 N2 O12 P2 Pd2 -","2","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Ortho Palladation of the Phenethylamines of Biological Relevancel-Tyrosine Methyl Ester and Homoveratrylamine. Reactivity of the Palladacycles toward CO and Isocyanides. Synthesis of the Natural Alkaloid Corydaldine","Organometallics","2012","31","9","3647","","10.1021/om300141b","","","0.71073","MoKα","","0.0274","0.0257","","","0.0621","0.0629","","","","","","1.049","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078262","15.064","0.003","13.146","0.002","20.481","0.003","90","","92.762","0.002","90","","4051.2","1.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H3 Au F15 N -","- C20 H3 Au F15 N -","- C160 H24 Au8 F120 N8 -","8","1","","Overton, Atiya T.; López-de-Luzuriaga, José M.; Olmos, M. Elena; Mohamed, Ahmed A.","Oxidative Rearrangement in Gold Organometallics","Organometallics","2012","31","9","3460","","10.1021/om3001422","","","0.71073","MoKα","","0.035","0.0269","","","0.0612","0.0643","","","","","","1.069","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078263","14.824","0.009","12.977","0.008","27.363","0.016","90","","90","","90","","5264","5","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H6 Au Cl10 F6 N2 P -","- C16 H6 Au Cl10 F6 N2 P -","- C128 H48 Au8 Cl80 F48 N16 P8 -","8","1","","Overton, Atiya T.; López-de-Luzuriaga, José M.; Olmos, M. Elena; Mohamed, Ahmed A.","Oxidative Rearrangement in Gold Organometallics","Organometallics","2012","31","9","3460","","10.1021/om3001422","","","0.71073","MoKα","","0.1509","0.0853","","","0.1516","0.1749","","","","","","1.046","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078264","9.7921","0.0011","11.9791","0.0013","14.8214","0.0016","111.514","0.002","95.467","0.003","109.355","0.002","1478.7","0.3","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 Cl N4 O3 Re S8 -","- C21 H18 Cl N4 O3 Re S8 -","- C42 H36 Cl2 N8 O6 Re2 S16 -","2","1","","Xiong, Jing; Liu, Wei; Wang, Yong; Cui, Long; Li, Yi-Zhi; Zuo, Jing-Lin","Tricarbonyl Mono- and Dinuclear Rhenium(I) Complexes with Redox-Active Bis(pyrazole)‒Tetrathiafulvalene Ligands: Syntheses, Crystal Structures, and Properties","Organometallics","2012","31","10","3938","","10.1021/om300159r","","","0.71073","MoKα","","0.0499","0.0429","","","0.0967","0.0983","","","","","","1.005","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078265","11.2192","0.0011","11.7727","0.0014","32.7018","0.0018","85.256","0.002","88.35","0.003","67.472","0.002","3976","0.7","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H84 Cl22 N16 O15 Re4 S32 -","- C90 H84 Cl22 N16 O15 Re4 S32 -","- C90 H84 Cl22 N16 O15 Re4 S32 -","1","0.5","","Xiong, Jing; Liu, Wei; Wang, Yong; Cui, Long; Li, Yi-Zhi; Zuo, Jing-Lin","Tricarbonyl Mono- and Dinuclear Rhenium(I) Complexes with Redox-Active Bis(pyrazole)‒Tetrathiafulvalene Ligands: Syntheses, Crystal Structures, and Properties","Organometallics","2012","31","10","3938","","10.1021/om300159r","","","0.71073","MoKα","","0.0673","0.0487","","","0.1135","0.1231","","","","","","1.164","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078266","10.382","0.002","27.9179","0.0014","13.2827","0.0016","90","","113.004","0.003","90","","3543.8","0.8","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Cl2 N8 O8 Re2 S16 -","- C50 H56 Cl2 N8 O8 Re2 S16 -","- C100 H112 Cl4 N16 O16 Re4 S32 -","2","0.5","","Xiong, Jing; Liu, Wei; Wang, Yong; Cui, Long; Li, Yi-Zhi; Zuo, Jing-Lin","Tricarbonyl Mono- and Dinuclear Rhenium(I) Complexes with Redox-Active Bis(pyrazole)‒Tetrathiafulvalene Ligands: Syntheses, Crystal Structures, and Properties","Organometallics","2012","31","10","3938","","10.1021/om300159r","","","0.71073","MoKα","","0.0715","0.0477","","","0.114","0.125","","","","","","1.051","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078267","10.9905","0.0008","14.5602","0.0011","18.7056","0.0015","90","","90","","90","","2993.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Cl Co N4 -","- C32 H32 Cl Co N4 -","- C128 H128 Cl4 Co4 N16 -","4","1","","Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.","Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes","Organometallics","2012","31","10","3958","","10.1021/om300182c","","x-ray","0.71073","MoKα","","0.0784","0.0523","","","0.13","0.1444","","","","","","0.923","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078268","19.1003","0.0011","30.6877","0.0018","8.3627","0.0005","90","","90","","90","","4901.7","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","{2,6-[1-(2,6-dimethylphenylimino)ethyl]pyridine}cobalt(I) pi-allyl complex","","- C28 H32 Co N3 -","- C28 H32 Co N3 -","- C224 H256 Co8 N24 -","8","1","","Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.","Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes","Organometallics","2012","31","10","3958","","10.1021/om300182c","","x-ray","0.71073","MoKα","","0.093","0.0435","","","0.1069","0.1443","","","","","","0.992","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078269","13.586","0.005","16.687","0.007","16.63","0.006","90","","101.567","0.009","90","","3694","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Cl0.06 Co I0.94 N3 -","- C37 H53 Cl0.067 Co I0.933 N3 -","- C148 H212 Cl0.268 Co4 I3.732 N12 -","4","1","","Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.","Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes","Organometallics","2012","31","10","3958","","10.1021/om300182c","","x-ray","0.71073","MoKα","","0.0494","0.0408","","","0.1263","0.1427","","","","","","1.159","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078270","12.9841","0.0008","16.2444","0.001","18.4949","0.0011","90","","90","","90","","3900.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H53 Co I2 N3 -","- C37 H53 Co I2 N3 -","- C148 H212 Co4 I8 N12 -","4","1","","Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.","Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes","Organometallics","2012","31","10","3958","","10.1021/om300182c","","","0.71073","MoKα","","0.0445","0.0344","","","0.0914","0.0979","","","","","","1.015","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078271","14.5646","0.0008","20.2322","0.0009","18.8482","0.0012","90","","109.676","0.005","90","","5229.8","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C98 H102 In4 O12 -","- C98 H100 In4 O12 -","- C196 H200 In8 O24 -","2","0.5","","Ahmad, S. Usman; Beckmann, Jens; Duthie, Andrew","Concomitant Reactivity of them-Terphenylindium Dihydroxide [2,6-Mes2C6H3In(OH)2]4toward Carbon Dioxide and Ethylene Glycol","Organometallics","2012","31","9","3802","","10.1021/om3001857","","","0.71073","MoKα","","0.0667","0.0439","","","0.116","0.1233","","","","","","0.912","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078272","14.936","0.005","28.367","0.01","22.525","0.01","90","","90","","90","","9544","6","150","","150","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C108 H132 In4 O10 -","- C108 H124 In4 O10 -","- C432 H496 In16 O40 -","4","0.5","","Ahmad, S. Usman; Beckmann, Jens; Duthie, Andrew","Concomitant Reactivity of them-Terphenylindium Dihydroxide [2,6-Mes2C6H3In(OH)2]4toward Carbon Dioxide and Ethylene Glycol","Organometallics","2012","31","9","3802","","10.1021/om3001857","","","0.71073","MoKα","","0.0685","0.0323","","","0.0583","0.0737","","","","","","0.825","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078273","13.372","0.008","19.775","0.015","17.78","0.012","90","","102.4","0.05","90","","4592","5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C102 H110 In4 O12 -","- C102 H108 In4 O12 -","- C204 H216 In8 O24 -","2","0.5","","Ahmad, S. Usman; Beckmann, Jens; Duthie, Andrew","Concomitant Reactivity of them-Terphenylindium Dihydroxide [2,6-Mes2C6H3In(OH)2]4toward Carbon Dioxide and Ethylene Glycol","Organometallics","2012","31","9","3802","","10.1021/om3001857","","","0.71073","MoKα","","0.1593","0.0557","","","0.0913","0.1228","","","","","","0.691","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078274","19.9603","0.0005","11.7532","0.0002","24.2643","0.0006","90","","101.691","0.002","90","","5574.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H74 Cr N4 P4 -","- C62 H74 Cr N4 P4 -","- C248 H296 Cr4 N16 P16 -","4","1","","Müller, Bernd H.; Peulecke, Normen; Spannenberg, Anke; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Schmidt, Roland; Wöhl, Anina; Müller, Wolfgang","Synthesis and Reactions of the Homoleptic Chromium(II) Bis-amide [Ph2PN(iPr)P(Ph)N(iPr)−]2Cr with Relevance to a Selective Catalytic Ethene Trimerization System to 1-Hexene","Organometallics","2012","31","9","3695","","10.1021/om300186a","","","0.71073","MoKα","","0.0809","0.0444","","","0.0998","0.1069","","","","","","0.832","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078275","10.7903","0.0002","11.4254","0.0002","14.7974","0.0003","90.77","0.001","98.966","0.001","112.352","0.001","1661.31","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H76 Al2 Cl6 Cr2 N4 P4 -","- C59 H76 Al2 Cl6 Cr2 N4 P4 -","- C59 H76 Al2 Cl6 Cr2 N4 P4 -","1","0.5","","Müller, Bernd H.; Peulecke, Normen; Spannenberg, Anke; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Schmidt, Roland; Wöhl, Anina; Müller, Wolfgang","Synthesis and Reactions of the Homoleptic Chromium(II) Bis-amide [Ph2PN(iPr)P(Ph)N(iPr)−]2Cr with Relevance to a Selective Catalytic Ethene Trimerization System to 1-Hexene","Organometallics","2012","31","9","3695","","10.1021/om300186a","","","0.71073","MoKα","","0.0462","0.0385","","","0.1021","0.1106","","","","","","1.055","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078276","7.7979","0.0013","12.786","0.003","16.615","0.003","90","","90","","90","","1656.6","0.6","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 B N6 O2 Pt -","- C13 H17 B N6 O2 Pt -","- C52 H68 B4 N24 O8 Pt4 -","4","1","","Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Schmidt, Jürgen; Steinborn, Dirk","Synthesis, Characterization, and Reactivity of Diacetylplatinum(II) and -platinum(IV) Complexes Bearing κ2- and κ3-Coordinated Scorpionate Ligands","Organometallics","2012","31","9","3700","","10.1021/om3001907","","","0.71073","MoKα","","0.0261","0.0242","","","0.0589","0.0601","","","","","","1.048","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078277","9.7936","0.0019","12.8","0.005","15.055","0.004","90","","115.63","0.017","90","","1701.6","0.9","220","2","220","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 B Cl N6 O2 Pt -","- C13 H16 B Cl N6 O2 Pt -","- C52 H64 B4 Cl4 N24 O8 Pt4 -","4","1","","Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Schmidt, Jürgen; Steinborn, Dirk","Synthesis, Characterization, and Reactivity of Diacetylplatinum(II) and -platinum(IV) Complexes Bearing κ2- and κ3-Coordinated Scorpionate Ligands","Organometallics","2012","31","9","3700","","10.1021/om3001907","","","0.71073","MoKα","","0.0321","0.0228","","","0.0533","0.056","","","","","","1.031","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078278","9.7876","0.0005","16.6534","0.0006","11.7754","0.0006","90","","108.631","0.004","90","","1818.77","0.15","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H42 B K N8 O8 Pt -","- C28 H42 B K N8 O8 Pt -","- C56 H84 B2 K2 N16 O16 Pt2 -","2","1","","Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Schmidt, Jürgen; Steinborn, Dirk","Synthesis, Characterization, and Reactivity of Diacetylplatinum(II) and -platinum(IV) Complexes Bearing κ2- and κ3-Coordinated Scorpionate Ligands","Organometallics","2012","31","9","3700","","10.1021/om3001907","","","0.71073","MoKα","","0.0316","0.0279","","","0.0677","0.0687","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078279","9.1821","0.0004","9.5744","0.0004","12.9873","0.0004","85.422","0.003","84.808","0.003","64.466","0.004","1024.95","0.08","105","","105","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 B N6 O2 Pt -","- C20 H23 B N6 O2 Pt -","- C40 H46 B2 N12 O4 Pt2 -","2","1","","Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Schmidt, Jürgen; Steinborn, Dirk","Synthesis, Characterization, and Reactivity of Diacetylplatinum(II) and -platinum(IV) Complexes Bearing κ2- and κ3-Coordinated Scorpionate Ligands","Organometallics","2012","31","9","3700","","10.1021/om3001907","","","0.71073","MoKα","","0.0236","0.0187","","","0.042","0.0433","","","","","","1.045","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078280","12.9318","0.0011","14.0685","0.0012","14.8638","0.0013","77.926","0.002","87.072","0.002","67.016","0.002","2433","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H25.5 Cl3.5 N3 Pd -","- C24.5 H25.5 Cl3.5 N3 Pd -","- C98 H102 Cl14 N12 Pd4 -","4","2","","Mart\?ínez-Mart\?ínez, Antonio-Jesús; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Synthesis of Palladium(II), -(III), and -(IV) Complexes with Acyclic Diaminocarbene Ligands","Organometallics","2012","31","9","3711","","10.1021/om300201s","","","0.71073","MoKα","","0.0807","0.0667","","","0.1131","0.1178","","","","","","1.239","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078281","10.2499","0.0005","14.6931","0.0007","17.9342","0.0009","71.603","0.002","78.117","0.002","74.951","0.002","2452.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.66 H51.96 Cl0.34 F6 N5 O6.88 Pd S2 -","- C47.652 H51.956 Cl0.348 F6 N5 O6.884 Pd S2 -","- C95.304 H103.912 Cl0.696 F12 N10 O13.768 Pd2 S4 -","2","1","","Mart\?ínez-Mart\?ínez, Antonio-Jesús; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Synthesis of Palladium(II), -(III), and -(IV) Complexes with Acyclic Diaminocarbene Ligands","Organometallics","2012","31","9","3711","","10.1021/om300201s","","","0.71073","MoKα","","0.0427","0.0374","","","0.0856","0.0881","","","","","","1.074","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078282","11.4813","0.0006","11.9026","0.0006","14.9934","0.0008","100.373","0.002","103.83","0.002","94.306","0.002","1942.02","0.18","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C35 H35 Cl3 F3 I N4 O3 Pd S -","- C35 H35 Cl3 F3 I N4 O3 Pd S -","- C70 H70 Cl6 F6 I2 N8 O6 Pd2 S2 -","2","1","","Mart\?ínez-Mart\?ínez, Antonio-Jesús; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Synthesis of Palladium(II), -(III), and -(IV) Complexes with Acyclic Diaminocarbene Ligands","Organometallics","2012","31","9","3711","","10.1021/om300201s","","","0.71073","MoKα","","0.0778","0.0598","","","0.1309","0.1394","","","","","","1.093","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078283","28.9644","0.0002","14.5041","0.0001","26.9041","0.0003","90","","110.843","0.001","90","","10562.8","0.17","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MM78 (naranja) en C2/c (tol/hex)","","","- C54.5 H25 Au3 Cu F20 N3 -","- C54.5 H25 Au3 Cu F20 N3 -","- C436 H200 Au24 Cu8 F160 N24 -","8","1","","López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodr\?íguez-Castillo, Mar\?ía","Very Short Metallophilic Interactions Induced by Three-Center‒Two-Electron Perhalophenyl Ligands in Phosphorescent Au‒Cu Complexes","Organometallics","2012","31","9","3720","","10.1021/om300204x","","","0.71073","MoKα","","0.0584","0.0387","","","0.0898","0.098","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078284","12.5473","0.0003","17.8938","0.0009","21.8989","0.0009","90","","119.914","0.003","90","","4261.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C36 H14 Au2 Cl15 Cu N2 -","- C36 H14 Au2 Cl15 Cu N2 -","- C144 H56 Au8 Cl60 Cu4 N8 -","4","1","","López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodr\?íguez-Castillo, Mar\?ía","Very Short Metallophilic Interactions Induced by Three-Center‒Two-Electron Perhalophenyl Ligands in Phosphorescent Au‒Cu Complexes","Organometallics","2012","31","9","3720","","10.1021/om300204x","","","0.71073","MoKα","","0.0923","0.0568","","","0.124","0.143","","","","","","1.034","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078285","14.1705","0.0006","12.5822","0.0004","21.6166","0.0008","90","","98.452","0.003","90","","3812.3","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Cl2 Fe N O5 P Ru -","- C38 H44 Cl2 Fe N O5 P Ru -","- C152 H176 Cl8 Fe4 N4 O20 P4 Ru4 -","4","1","","Tauchman, Jiří; Therrien, Bruno; Süss-Fink, Georg; Štěpnička, Petr","Heterodinuclear Arene Ruthenium Complexes Containing a Glycine-Derived Phosphinoferrocene Carboxamide: Synthesis, Molecular Structure, Electrochemistry, and Catalytic Oxidation Activity in Aqueous Media","Organometallics","2012","31","10","3985","","10.1021/om3002087","","","0.71073","MoKα","","0.1421","0.1136","","","0.1219","0.1299","","","","","","1.354","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078286","10.5046","0.0005","30.0795","0.0012","15.1574","0.0008","90","","98.38","0.004","90","","4738.2","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 F12 Fe N3 O3 P3 Ru -","- C40 H44 F12 Fe N3 O3 P3 Ru -","- C160 H176 F48 Fe4 N12 O12 P12 Ru4 -","4","1","","Tauchman, Jiří; Therrien, Bruno; Süss-Fink, Georg; Štěpnička, Petr","Heterodinuclear Arene Ruthenium Complexes Containing a Glycine-Derived Phosphinoferrocene Carboxamide: Synthesis, Molecular Structure, Electrochemistry, and Catalytic Oxidation Activity in Aqueous Media","Organometallics","2012","31","10","3985","","10.1021/om3002087","","","0.71073","MoKα","","0.1903","0.1208","","","0.1782","0.2048","","","","","","1.197","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078287","40.703","0.005","18.366","0.002","13.476","0.0017","90","","109.737","0.003","90","","9482","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H67 N4 Sc Si4 -","- C39 H67 N4 Sc Si4 -","- C312 H536 N32 Sc8 Si32 -","8","1","","Chen, Fei; Fan, Shimin; Wang, Yibin; Chen, Jue; Luo, Yunjie","Unusual Si‒H Bond Activation and Formation of Cationic Scandium Amide Complexes from a Mono(amidinate)-Ligated Scandium Bis(silylamide) Complex and Their Performance in Isoprene Polymerization","Organometallics","2012","31","9","3730","","10.1021/om3002119","","","0.71075","MoKα","","0.1186","0.0846","","","0.1782","0.196","","","","","","1.141","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078288","12.0543","0.0007","17.8419","0.0011","19.6145","0.0012","83.313","0.005","81.325","0.005","79.149","0.004","4078.8","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H89 B F20 N4 O2 Sc Si4 -","- C74 H70 B F20 N4 O2 Sc Si4 -","- C148 H140 B2 F40 N8 O4 Sc2 Si8 -","2","1","","Chen, Fei; Fan, Shimin; Wang, Yibin; Chen, Jue; Luo, Yunjie","Unusual Si‒H Bond Activation and Formation of Cationic Scandium Amide Complexes from a Mono(amidinate)-Ligated Scandium Bis(silylamide) Complex and Their Performance in Isoprene Polymerization","Organometallics","2012","31","9","3730","","10.1021/om3002119","","","0.7107","MoKα","","0.1115","0.0878","","","0.2143","0.2318","","","","","","1.125","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078289","17.497","0.006","13.674","0.004","17.26","0.006","90","","93.728","0.008","90","","4121","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H63 Al2 N2 Sc -","- C39 H63 Al2 N2 Sc -","- C156 H252 Al8 N8 Sc4 -","4","0.5","","Chen, Fei; Fan, Shimin; Wang, Yibin; Chen, Jue; Luo, Yunjie","Unusual Si‒H Bond Activation and Formation of Cationic Scandium Amide Complexes from a Mono(amidinate)-Ligated Scandium Bis(silylamide) Complex and Their Performance in Isoprene Polymerization","Organometallics","2012","31","9","3730","","10.1021/om3002119","","","0.7107","MoKα","","0.1021","0.0935","","","0.2251","0.2307","","","","","","1.147","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078290","8.6119","0.0006","8.7766","0.0006","14.8426","0.0012","82.108","0.002","78.096","0.002","78.395","0.002","1069.9","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl N2 O7 Pd -","- C20 H23 Cl N2 O7 Pd -","- C40 H46 Cl2 N4 O14 Pd2 -","2","1","","Juliá-Hernández, Francisco; Arcas, Aurelia; Bautista, Delia; Vicente, José","Synthesis and Hydrolysis of Cationic Palladium(II) 2,6-Diacetylpyridine Dimethyl Ketal Complexes. Cyclopalladation of 2,6-Diacetylpyridine. Palladium-Catalyzed Synthesis of a 1,5-Benzodiazepine†","Organometallics","2012","31","9","3736","","10.1021/om300217k","","","0.71073","MoKα","","0.027","0.0253","","","0.0614","0.0624","","","","","","1.058","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078291","7.6698","0.0004","23.7216","0.0012","7.8644","0.0004","90","","104.965","0.002","90","","1382.32","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl N2 O6 Pd -","- C11 H11 Cl N2 O6 Pd -","- C44 H44 Cl4 N8 O24 Pd4 -","4","1","","Juliá-Hernández, Francisco; Arcas, Aurelia; Bautista, Delia; Vicente, José","Synthesis and Hydrolysis of Cationic Palladium(II) 2,6-Diacetylpyridine Dimethyl Ketal Complexes. Cyclopalladation of 2,6-Diacetylpyridine. Palladium-Catalyzed Synthesis of a 1,5-Benzodiazepine†","Organometallics","2012","31","9","3736","","10.1021/om300217k","","","0.71073","MoKα","","0.0234","0.0225","","","0.056","0.0565","","","","","","1.102","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078292","12.9833","0.0002","18.9236","0.0003","22.7786","0.0002","90","","90","","90","","5596.49","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 B Fe2 P -","- C31 H40 B Fe2 P -","- C248 H320 B8 Fe16 P8 -","8","2","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","0.71073","MoKα","","0.0632","0.0401","","","0.0698","0.0779","","","","","","1.087","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078293","8.8418","0.0002","10.4886","0.0003","16.5551","0.0004","90","","94.877","0.001","90","","1529.73","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H40 Fe2 P2 -","- C36 H40 Fe2 P2 -","- C72 H80 Fe4 P4 -","2","1","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","0.71073","MoKα","","0.0496","0.0365","","","0.0833","0.0931","","","","","","0.988","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078294","11.18245","0.00008","12.26925","0.00008","17.17066","0.00011","90","","90","","90","","2355.82","0.03","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Au Cl Fe O P -","- C25 H25 Au Cl Fe O P -","- C100 H100 Au4 Cl4 Fe4 O4 P4 -","4","1","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","1.54184","CuKα","","0.0199","0.0183","","","0.0427","0.0433","","","","","","1.035","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078295","7.21077","0.00017","18.2833","0.0004","20.809","0.0005","90","","90","","90","","2743.39","0.11","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 Au Cl Fe2 P -","- C31 H37 Au Cl Fe2 P -","- C124 H148 Au4 Cl4 Fe8 P4 -","4","1","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","0.71073","MoKα","","0.0285","0.0231","","","0.0326","0.0332","","","","","","0.993","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078296","11.9744","0.0004","8.9423","0.0003","18.3431","0.0005","90","","96.613","0.003","90","","1951.09","0.11","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36.5 H40.5 Au2 Cl3.5 Fe2 P2 -","- C36.5 H40.5 Au2 Cl3.5 Fe2 P2 -","- C73 H81 Au4 Cl7 Fe4 P4 -","2","1","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","0.71073","MoKα","","0.0699","0.0434","","","0.1015","0.1101","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078297","10.199","0.002","10.922","0.003","13.664","0.004","82.687","0.006","87.793","0.008","76.674","0.008","1469","0.7","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 N O P Ru -","- C35 H42 N O P Ru -","- C70 H84 N2 O2 P2 Ru2 -","2","1","","Hirano, Masafumi; Arai, Yasutomo; Hamamura, Yuka; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric and Catalytic Cross Dimerization between Conjugated Dienes and Conjugated Carbonyls by a Ruthenium(0) Complex: Straightforward Access to Unsaturated Carbonyl Compounds by an Oxidative Coupling Mechanism","Organometallics","2012","31","10","4006","","10.1021/om300234d","","","0.71075","MoKα","","","0.0302","","","","0.08","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078298","8.464","0.003","10.961","0.003","11.182","0.003","84.032","0.01","86.657","0.011","69.827","0.006","968.2","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31 N O2 Ru -","- C20 H31 N O2 Ru -","- C40 H62 N2 O4 Ru2 -","2","1","","Hirano, Masafumi; Arai, Yasutomo; Hamamura, Yuka; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric and Catalytic Cross Dimerization between Conjugated Dienes and Conjugated Carbonyls by a Ruthenium(0) Complex: Straightforward Access to Unsaturated Carbonyl Compounds by an Oxidative Coupling Mechanism","Organometallics","2012","31","10","4006","","10.1021/om300234d","","","0.71075","MoKα","","","0.0401","","","","0.1183","","","","","","1.227","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078299","14.246","0.005","14.126","0.005","21.015","0.008","90","","93.084","0.005","90","","4223","3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N O2 Ru -","- C22 H35 N O2 Ru -","- C176 H280 N8 O16 Ru8 -","8","2","","Hirano, Masafumi; Arai, Yasutomo; Hamamura, Yuka; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric and Catalytic Cross Dimerization between Conjugated Dienes and Conjugated Carbonyls by a Ruthenium(0) Complex: Straightforward Access to Unsaturated Carbonyl Compounds by an Oxidative Coupling Mechanism","Organometallics","2012","31","10","4006","","10.1021/om300234d","","","0.71075","MoKα","","","0.0962","","","","0.2624","","","","","","1.012","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078300","9.2102","0.0006","12.6539","0.0009","12.6874","0.001","90.723","0.003","102.64","0.003","107.248","0.007","1373.16","0.18","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Bbp2Al2Br2","1,2-Bis(2,6-bis(bis(trimethylsilyl)methyl)phenyl)-1,2-dibromodialumane","","- C40 H82 Al2 Br2 Si8 -","- C40 H82 Al2 Br2 Si8 -","- C40 H82 Al2 Br2 Si8 -","1","0.5","","Agou, Tomohiro; Nagata, Koichi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis, Structure, and Properties of a Stable 1,2-Dibromodialumane(4) Bearing a Bulky Aryl Substituent","Organometallics","2012","31","9","3806","","10.1021/om300237q","","x-ray","0.71069","MoKα","","0.0893","0.0475","","","0.0935","0.123","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078301","9.5433","0.0001","27.0804","0.0004","13.4611","0.0002","90","","98.1654","0.0006","90","","3443.57","0.08","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BbpAlBrOEt2","2,6-bis(bis(trimethylsilyl)methyl)phenyl-dibromoalumane diethylether complex","","- C24 H51 Al Br2 O Si4 -","- C24 H51 Al Br2 O Si4 -","- C96 H204 Al4 Br8 O4 Si16 -","4","1","","Agou, Tomohiro; Nagata, Koichi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis, Structure, and Properties of a Stable 1,2-Dibromodialumane(4) Bearing a Bulky Aryl Substituent","Organometallics","2012","31","9","3806","","10.1021/om300237q","","x-ray","0.71075","MoKα","","0.0304","0.025","","","0.0637","0.0661","","","","","","1.025","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4078302","11.246","0.0003","14.1233","0.0004","27.1842","0.0008","90","","100.079","0.001","90","","4251.1","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H60 Mg N4 O -","- C47 H60 Mg N4 O -","- C188 H240 Mg4 N16 O4 -","4","1","","Summerscales, Owen T.; Myers, Thomas W.; Berben, Louise A.","Mild Reduction Route to a Redox-Active Silicon Complex: Structure and Properties of (IP2‒)2Si and (IP‒)2Mg(THF) (IP = α-Iminopyridine)","Organometallics","2012","31","9","3463","","10.1021/om300242q","","","0.71073","MoKα","","0.0695","0.0438","","","0.1031","0.1146","","","","","","1.022","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078303","10.118","0.002","10.452","0.003","16.633","0.003","90.86","0.03","90.354","0.017","114.433","0.01","1601.1","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N4 Si -","- C36 H44 N4 Si -","- C72 H88 N8 Si2 -","2","1","","Summerscales, Owen T.; Myers, Thomas W.; Berben, Louise A.","Mild Reduction Route to a Redox-Active Silicon Complex: Structure and Properties of (IP2‒)2Si and (IP‒)2Mg(THF) (IP = α-Iminopyridine)","Organometallics","2012","31","9","3463","","10.1021/om300242q","","","0.71073","MoKα","","0.0639","0.0408","","","0.0916","0.1041","","","","","","1.028","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078304","10.5748","0.0004","16.2861","0.0005","22.4857","0.0008","90","","93.622","0.001","90","","3864.8","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Ge N2 -","- C48 H54 Ge N2 -","- C192 H216 Ge4 N8 -","4","1","","Brown, Zachary D.; Guo, Jing-Dong; Nagase, Shigeru; Power, Philip P.","Experimental and Computational Study of Auxiliary Molecular Effects on the Mechanism of the Addition of Hydrazines to a Low-Valent Germanium Complex","Organometallics","2012","31","9","3768","","10.1021/om300271c","","","1.54178","CuKα","","0.041","0.0406","","","0.1058","0.1061","","","","","","1.053","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078305","10.8998","0.0007","16.5284","0.0011","22.2944","0.0014","90","","92.666","0.002","90","","4012.1","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Ge N2 -","- C49 H57 Ge N2 -","- C196 H228 Ge4 N8 -","4","1","","Brown, Zachary D.; Guo, Jing-Dong; Nagase, Shigeru; Power, Philip P.","Experimental and Computational Study of Auxiliary Molecular Effects on the Mechanism of the Addition of Hydrazines to a Low-Valent Germanium Complex","Organometallics","2012","31","9","3768","","10.1021/om300271c","","","1.54178","CuKα","","0.0573","0.0571","","","0.1352","0.1353","","","","","","1.274","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078306","18.9994","0.0008","30.2957","0.0013","14.1667","0.0006","90","","90","","90","","8154.4","0.6","87","2","87","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C50 H58 Ge0.96 N2 -","- C50 H58 Ge0.958 N2 -","- C400 H464 Ge7.664 N16 -","8","1","","Brown, Zachary D.; Guo, Jing-Dong; Nagase, Shigeru; Power, Philip P.","Experimental and Computational Study of Auxiliary Molecular Effects on the Mechanism of the Addition of Hydrazines to a Low-Valent Germanium Complex","Organometallics","2012","31","9","3768","","10.1021/om300271c","","","1.54178","CuKα","","0.0621","0.0506","","","0.1382","0.1485","","","","","","0.854","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078307","12.303","0.0001","17.468","0.0002","13.819","0.0002","90","","98.485","0.001","90","","2937.32","0.06","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","[Pt(dippe)(η2-(C,S-DBTO2)]","","- C29 H43 O2 P2 Pt S -","- C29 H43 O2 P2 Pt S -","- C116 H172 O8 P8 Pt4 S4 -","4","1","","Oviedo, Alberto; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J.","Mechanistic Insights into the C‒S Bond Breaking in Dibenzothiophene Sulfones","Organometallics","2012","31","10","4039","","10.1021/om3002729","","x-ray","0.71073","MoKα","","0.0206","0.0151","","","0.034","0.0347","","","","","","1.004","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078308","11.1087","0.0001","16.7375","0.0002","17.0714","0.0002","90","","93.139","0.001","90","","3169.35","0.06","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H86 O8 P4 Pt2 S4 -","- C58 H86 O8 P4 Pt2 S4 -","- C116 H172 O16 P8 Pt4 S8 -","2","0.5","","Oviedo, Alberto; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J.","Mechanistic Insights into the C‒S Bond Breaking in Dibenzothiophene Sulfones","Organometallics","2012","31","10","4039","","10.1021/om3002729","","x-ray","0.71073","MoKα","","0.0249","0.018","","","0.0369","0.0378","","","","","","0.999","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078309","10.9329","0.0004","12.1376","0.0004","14.7338","0.0005","78.801","0.002","82.497","0.002","69.455","0.001","1791.8","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(CF3)FI-Ni","[2-tert-butyl-6-((2,6-(3,5-bistrifluoromethyl-phenyl)phenylimino) methyl)phenolato]-Ni(II)-methyl-(trimethylphosphine)","","- C37 H34 F12 N Ni O P -","- C37 H34 F12 N Ni O P -","- C74 H68 F24 N2 Ni2 O2 P2 -","2","1","","Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J.","Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand‒Product Interactions","Organometallics","2012","31","9","3773","","10.1021/om3002735","","","0.71073","MoKα","","0.0728","0.0451","","","0.107","0.119","","","","","","0.964","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078310","11.7513","0.0008","12.4147","0.0009","14.6163","0.001","75.419","0.005","88.231","0.005","68.923","0.005","1921.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(CH3)FI-Ni","[2-tert-butyl-6-((2,6-(3,5-dimethylphenyl)-phenylimino) methyl)phenolato]-Ni(II) methyl(trimethylphosphine)","","- C43 H60 N Ni O P -","- C43 H60 N Ni O P -","- C86 H120 N2 Ni2 O2 P2 -","2","1","","Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J.","Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand‒Product Interactions","Organometallics","2012","31","9","3773","","10.1021/om3002735","","","1.54178","CuKα","","0.0664","0.0479","","","0.1299","0.1542","","","","","","1.088","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078311","15.2118","0.0005","15.9954","0.0005","15.5796","0.0005","90","","91.033","0.002","90","","3790.2","0.2","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 F12 N2 Ni O -","- C42 H36 F12 N2 Ni O -","- C168 H144 F48 N8 Ni4 O4 -","4","1","","Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J.","Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand‒Product Interactions","Organometallics","2012","31","9","3773","","10.1021/om3002735","","","0.71073","MoKα","","0.0575","0.0392","","","0.1072","0.1146","","","","","","1.051","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078312","11.5636","0.0006","25.3986","0.0013","9.9465","0.0005","90","","106.771","0.003","90","","2797","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(C=NCF3)FI-Ni","[2-tert-butyl-6-(2,2,2-trifluoro-1-(2,6-diisopropylphenyl) imino-ethyl)phenolato]-Ni(II)-methyl-(trimethylphosphine)","","- C28 H41 F3 N Ni O P -","- C28 H41 F3 N Ni O P -","- C112 H164 F12 N4 Ni4 O4 P4 -","4","1","","Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J.","Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand‒Product Interactions","Organometallics","2012","31","9","3773","","10.1021/om3002735","","","0.71073","MoKα","","0.0643","0.039","","","0.0894","0.101","","","","","","1.03","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078313","17.82","0.03","9.53","0.02","16.95","0.03","90","","98.92","0.03","90","","2844","9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(CH3)HFI","[2-tert-butyl-6-((2,6-(3,5-dimethylphenyl)-phenylimino)methyl)phenol","","- C33 H35 N O -","- C33 H35 N O -","- C132 H140 N4 O4 -","4","1","","Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J.","Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand‒Product Interactions","Organometallics","2012","31","9","3773","","10.1021/om3002735","","","0.71073","MoKα","","0.1057","0.0723","","","0.2003","0.2412","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078314","11.64","0.002","13.661","0.002","17.73","0.003","90.036","0.003","97.222","0.003","91.916","0.003","2795.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Br N4 Rh -","- C30 H36 Br N4 Rh -","- C120 H144 Br4 N16 Rh4 -","4","2","","Daw, Prosenjit; Sinha, Arup; Rahaman, S. M. Wahidur; Dinda, Shrabani; Bera, Jitendra K.","Bifunctional Water Activation for Catalytic Hydration of Organonitriles","Organometallics","2012","31","9","3790","3797","10.1021/om300297y","","","0.71073","MoKα","","0.0735","0.0539","","","0.1347","0.1471","","","","","","1.014","","","","has coordinates","218788","2020-10-21","18:00:00",""
"4078315","9.8847","0.0005","14.1797","0.0008","8.584","0.0005","90","","109.873","0.001","90","","1131.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Mo O3 Si -","- C10 H10 Mo O3 Si -","- C40 H40 Mo4 O12 Si4 -","4","1","","Zhu, Bolin; Chen, Yunfei; Shi, Wei; Li, Yuan; Hao, Xiaoting","Reactions of Doubly SiMe2-Bridged Bis(cyclopentadienyl) Complexes of Molybdenum and Iron Carbonyls: Competitive Ring-to-Metal Migrations of Hydrogen and SiMe2","Organometallics","2012","31","10","4046","","10.1021/om300305g","","","0.71073","MoKα","","0.0216","0.0203","","","0.055","0.056","","","","","","1.073","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078316","8.5329","0.0018","13.193","0.003","13.927","0.003","86.495","0.004","78.609","0.003","89.343","0.004","1534.1","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Mo4 O12 Si4 -","- C56 H72 Mo4 O12 Si4 -","- C56 H72 Mo4 O12 Si4 -","1","0.5","","Zhu, Bolin; Chen, Yunfei; Shi, Wei; Li, Yuan; Hao, Xiaoting","Reactions of Doubly SiMe2-Bridged Bis(cyclopentadienyl) Complexes of Molybdenum and Iron Carbonyls: Competitive Ring-to-Metal Migrations of Hydrogen and SiMe2","Organometallics","2012","31","10","4046","","10.1021/om300305g","","","0.71073","MoKα","","0.0827","0.0693","","","0.1603","0.1666","","","","","","1.088","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078317","16.478","0.009","9.777","0.006","12.313","0.007","90","","90","","90","","1984","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H72 Fe8 O16 Si8 -","- C72 H72 Fe8 O16 Si8 -","- C72 H72 Fe8 O16 Si8 -","1","0.25","","Zhu, Bolin; Chen, Yunfei; Shi, Wei; Li, Yuan; Hao, Xiaoting","Reactions of Doubly SiMe2-Bridged Bis(cyclopentadienyl) Complexes of Molybdenum and Iron Carbonyls: Competitive Ring-to-Metal Migrations of Hydrogen and SiMe2","Organometallics","2012","31","10","4046","","10.1021/om300305g","","","0.71073","MoKα","","0.0445","0.0316","","","0.0577","0.0612","","","","","","1.035","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078318","10.736","0.003","11.049","0.003","14.441","0.004","72.644","0.004","70.492","0.004","61.016","0.004","1393","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Fe2 O4 Si2 -","- C26 H34 Fe2 O4 Si2 -","- C52 H68 Fe4 O8 Si4 -","2","1","","Zhu, Bolin; Chen, Yunfei; Shi, Wei; Li, Yuan; Hao, Xiaoting","Reactions of Doubly SiMe2-Bridged Bis(cyclopentadienyl) Complexes of Molybdenum and Iron Carbonyls: Competitive Ring-to-Metal Migrations of Hydrogen and SiMe2","Organometallics","2012","31","10","4046","","10.1021/om300305g","","","0.71073","MoKα","","0.0337","0.028","","","0.0705","0.0743","","","","","","1.031","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078319","7.9573","0.0011","9.5463","0.0014","10.3479","0.0016","79.796","0.009","70.501","0.008","66.039","0.008","676.33","0.18","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Ag2 Cl2 N4 -","- C26 H32 Ag2 Cl2 N4 -","- C26 H32 Ag2 Cl2 N4 -","1","0.5","","Su, Haw-Lih; Pérez, Lisa M.; Lee, Sheng-Jui; Reibenspies, Joseph H.; Bazzi, Hassan S.; Bergbreiter, David E.","Studies of Ligand Exchange in N-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2012","31","10","4063","","10.1021/om300340w","","","0.71073","MoKα","","0.0626","0.0483","","","0.1135","0.1243","","","","","","1.054","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078320","8.032","0.008","9.723","0.01","10.336","0.011","81.54","0.011","70.999","0.01","65.941","0.01","696.8","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Ag2 Br2 N4 -","- C26 H32 Ag2 Br2 N4 -","- C26 H32 Ag2 Br2 N4 -","1","0.5","","Su, Haw-Lih; Pérez, Lisa M.; Lee, Sheng-Jui; Reibenspies, Joseph H.; Bazzi, Hassan S.; Bergbreiter, David E.","Studies of Ligand Exchange in N-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2012","31","10","4063","","10.1021/om300340w","","","0.71073","MoKα","","0.0606","0.0526","","","0.1566","0.1654","","","","","","1.029","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078321","17.3","0.017","17.3","0.017","16.85","0.02","90","","90","","120","","4367","8","110","2","110","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C26 H28 Ag I N4 -","- C26 H32 Ag N4 -","- C156 H192 Ag6 N24 -","6","0.5","","Su, Haw-Lih; Pérez, Lisa M.; Lee, Sheng-Jui; Reibenspies, Joseph H.; Bazzi, Hassan S.; Bergbreiter, David E.","Studies of Ligand Exchange in N-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2012","31","10","4063","","10.1021/om300340w","","","0.71073","MoKα","","0.2255","0.0739","","","0.1032","0.1416","","","","","","1.004","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078322","11.201","0.012","9.608","0.011","16.174","0.013","90","","132.85","0.05","90","","1276","2","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H32 Ag I N4 -","- C26 H32 Ag I N4 -","- C52 H64 Ag2 I2 N8 -","2","0.5","","Su, Haw-Lih; Pérez, Lisa M.; Lee, Sheng-Jui; Reibenspies, Joseph H.; Bazzi, Hassan S.; Bergbreiter, David E.","Studies of Ligand Exchange in N-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2012","31","10","4063","","10.1021/om300340w","","","0.71073","MoKα","","0.1106","0.076","","","0.1834","0.2425","","","","","","1.08","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4078323","19.088","0.0004","20.962","0.0004","23.402","0.0006","90","","90","0.001","90","","9363.7","0.4","200","2","200","2","","","","","","","","7","P c n b","-P 2b 2ac","60","","","","- C84 H94 Cl4 Fe2 N14 O26 Zn2 -","- C84 H94 Cl4 Fe2 N14 O26 Zn2 -","- C336 H376 Cl16 Fe8 N56 O104 Zn8 -","4","0.5","","Lee, Way-Zen; Wang, Tzu-Li; Chang, Hao-Ching; Chen, Yi-Ting; Kuo, Ting-Shen","A Bioinspired ZnII/FeIIIHeterobimetallic Catalyst for Thia-Michael Addition","Organometallics","2012","31","11","4106","4109","10.1021/om300275a","","","0.71073","MoKα","","0.1724","0.0899","","","0.2175","0.2787","","","","","","1.124","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078410","10.1315","0.0005","10.2865","0.0005","11.0789","0.0005","90","","102.196","0.001","90","","1128.56","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H31 N3 O Si2 Zn -","- C20 H31 N3 O Si2 Zn -","- C40 H62 N6 O2 Si4 Zn2 -","2","1","","Roberts, Courtney C.; Barnett, Brandon R.; Green, David B.; Fritsch, Joseph M.","Synthesis and Structures of Tridentate Ketoiminate Zinc Complexes That Act Asl-Lactide Ring-Opening Polymerization Catalysts","Organometallics","2012","31","11","4133","","10.1021/om200865w","","","0.71073","MoKα","","0.022","0.0208","","","0.0468","0.0471","","","","","","1.016","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078411","9.2547","0.0019","11.502","0.002","12.095","0.003","84.188","0.002","70.629","0.002","77.106","0.002","1183.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 N3 O Si2 Zn -","- C21 H33 N3 O Si2 Zn -","- C42 H66 N6 O2 Si4 Zn2 -","2","1","","Roberts, Courtney C.; Barnett, Brandon R.; Green, David B.; Fritsch, Joseph M.","Synthesis and Structures of Tridentate Ketoiminate Zinc Complexes That Act Asl-Lactide Ring-Opening Polymerization Catalysts","Organometallics","2012","31","11","4133","","10.1021/om200865w","","","0.71073","MoKα","","0.0856","0.0835","","","0.2115","0.2141","","","","","","1.033","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078412","10.6003","0.0014","15.617","0.002","16.348","0.002","90","","90.137","0.002","90","","2706.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N3 O Si2 Zn -","- C26 H35 N3 O Si2 Zn -","- C104 H140 N12 O4 Si8 Zn4 -","4","1","","Roberts, Courtney C.; Barnett, Brandon R.; Green, David B.; Fritsch, Joseph M.","Synthesis and Structures of Tridentate Ketoiminate Zinc Complexes That Act Asl-Lactide Ring-Opening Polymerization Catalysts","Organometallics","2012","31","11","4133","","10.1021/om200865w","","","0.71073","MoKα","","0.0276","0.0234","","","0.0636","0.0658","","","","","","1.033","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078413","13.19","0.005","15.909","0.006","16.342","0.006","102.805","0.004","93.256","0.003","94.205","0.004","3325","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cl2 N2 O2 Zn -","- C35 H40 Cl2 N2 O2 Zn -","- C140 H160 Cl8 N8 O8 Zn4 -","4","2","","Roberts, Courtney C.; Barnett, Brandon R.; Green, David B.; Fritsch, Joseph M.","Synthesis and Structures of Tridentate Ketoiminate Zinc Complexes That Act Asl-Lactide Ring-Opening Polymerization Catalysts","Organometallics","2012","31","11","4133","","10.1021/om200865w","","","0.71073","MoKα","","0.0777","0.0485","","","0.1043","0.115","","","","","","1.033","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078414","16.5418","0.0014","11.0451","0.0007","19.3782","0.0015","90","","93.232","0.007","90","","3534.9","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","compound 5a","","","- C22 H25 P -","- C22 H25 P -","- C176 H200 P8 -","8","1","","Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg","New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites","Organometallics","2012","31","11","4259","","10.1021/om201182y","","","0.71073","MoKα","","0.1075","0.0421","","","0.046","0.0547","","","","","","0.708","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078415","8.5472","0.0004","11.2691","0.0006","19.6735","0.0009","91.412","0.004","90.728","0.004","100.064","0.004","1864.93","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","compound 9","","","- C44 H48 Li2 P2 -","- C44 H48 Li2 P2 -","- C88 H96 Li4 P4 -","2","1","","Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg","New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites","Organometallics","2012","31","11","4259","","10.1021/om201182y","","","0.71069","MoKα","","0.0516","0.0344","","","0.0822","0.0859","","","","","","0.895","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078416","11.351","0.0005","11.7633","0.0004","13.1256","0.0005","90","","90","","90","","1752.6","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","compound 5b","","","- C22 H25 P -","- C22 H25 P -","- C88 H100 P4 -","4","1","","Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg","New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites","Organometallics","2012","31","11","4259","","10.1021/om201182y","","","0.71069","MoKα","","0.0385","0.0312","","","0.0691","0.0707","","","","","","0.928","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078417","10.1573","0.0004","12.5949","0.0005","15.509","0.0007","95.988","0.003","105.581","0.003","97.631","0.003","1873.76","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","compound 11","","","- C44 H48 Li2 P2 -","- C44 H48 Li2 P2 -","- C88 H96 Li4 P4 -","2","1","","Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg","New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites","Organometallics","2012","31","11","4259","","10.1021/om201182y","","","0.71069","MoKα","","0.0743","0.0458","","","0.1139","0.1215","","","","","","0.894","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078418","24.9672","0.0018","8.2802","0.0006","24.3611","0.0018","90","","97.588","0.009","90","","4992.2","0.6","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","compound 6","","","- C12 H21 P -","- C12 H21 P -","- C192 H336 P16 -","16","2","","Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg","New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites","Organometallics","2012","31","11","4259","","10.1021/om201182y","","","0.71073","MoKα","","0.1073","0.051","","","0.1119","0.1274","","","","","","0.815","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078419","10.7256","0.0016","13.681","0.002","17.613","0.002","112.668","0.002","93.344","0.003","105.922","0.002","2253.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H41 Fe N2 -","- C59 H41 Fe N2 -","- C118 H82 Fe2 N4 -","2","1","","Ramakrishnan, S.; Anju, K. S.; Thomas, Ajesh P.; Gowri Sreedevi, K. C.; Salini, P. S.; Derry Holaday, M. G.; Suresh, Eringathodi; Srinivasan, A.","ansa-Ferrocene-Incorporated Calixpyrroles and Calixphyrins: Syntheses and Spectral/Structural Characterization","Organometallics","2012","31","11","4166","","10.1021/om300004m","","","0.71073","MoKα","","0.096","0.0715","","","0.183","0.1944","","","","","","1.043","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078420","10.8554","0.0014","13.2066","0.0017","17.776","0.002","99.425","0.002","101.517","0.002","94.053","0.002","2449.3","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H45 Cl3 Fe N2 S -","- C63 H45 Cl3 Fe N2 S -","- C126 H90 Cl6 Fe2 N4 S2 -","2","1","","Ramakrishnan, S.; Anju, K. S.; Thomas, Ajesh P.; Gowri Sreedevi, K. C.; Salini, P. S.; Derry Holaday, M. G.; Suresh, Eringathodi; Srinivasan, A.","ansa-Ferrocene-Incorporated Calixpyrroles and Calixphyrins: Syntheses and Spectral/Structural Characterization","Organometallics","2012","31","11","4166","","10.1021/om300004m","","","0.71073","MoKα","","0.0673","0.0608","","","0.145","0.1491","","","","","","1.119","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078421","16.4365","0.0015","9.8425","0.0009","23.296","0.002","90","","91.443","0.002","90","","3767.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Fe N2 -","- C52 H40 Fe N2 -","- C208 H160 Fe4 N8 -","4","1","","Ramakrishnan, S.; Anju, K. S.; Thomas, Ajesh P.; Gowri Sreedevi, K. C.; Salini, P. S.; Derry Holaday, M. G.; Suresh, Eringathodi; Srinivasan, A.","ansa-Ferrocene-Incorporated Calixpyrroles and Calixphyrins: Syntheses and Spectral/Structural Characterization","Organometallics","2012","31","11","4166","","10.1021/om300004m","","","0.71073","MoKα","","0.0841","0.0642","","","0.1305","0.1383","","","","","","1.129","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078422","9.8453","0.0004","10.2772","0.0004","19.8022","0.0008","97.231","0.003","91.26","0.002","95.104","0.002","1978.69","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H37 B Cl2 F4 Mo O4 -","- C45 H37 B Cl2 F4 Mo O4 -","- C90 H74 B2 Cl4 F8 Mo2 O8 -","2","1","","Antunes, M. Augusta; Alves, Luis G.; Namorado, Sónia; Ascenso, José R.; Veiros, Luis F.; Martins, Ana M.","Hydride Abstraction from [MCpBz(CO)3H] (M = Mo, W; CpBz= C5(CH2Ph)5): New Cationic Complexes Stabilized by η5:η2-C5H4:C6H5Bonding of the Pentabenzylcyclopentadienyl Ligand","Organometallics","2012","31","12","4387","","10.1021/om300070m","","","0.71073","MoKα","","0.0514","0.0361","","","0.078","0.0819","","","","","","1.036","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078423","9.8487","0.0003","10.2715","0.0003","19.808","0.0006","97.23","0.003","91.264","0.002","95.034","0.002","1979.08","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H37 B Cl2 F4 O4 W -","- C45 H37 B Cl2 F4 O4 W -","- C90 H74 B2 Cl4 F8 O8 W2 -","2","1","","Antunes, M. Augusta; Alves, Luis G.; Namorado, Sónia; Ascenso, José R.; Veiros, Luis F.; Martins, Ana M.","Hydride Abstraction from [MCpBz(CO)3H] (M = Mo, W; CpBz= C5(CH2Ph)5): New Cationic Complexes Stabilized by η5:η2-C5H4:C6H5Bonding of the Pentabenzylcyclopentadienyl Ligand","Organometallics","2012","31","12","4387","","10.1021/om300070m","","","0.71073","MoKα","","0.032","0.0263","","","0.0592","0.0606","","","","","","1.04","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078424","9.2391","0.0013","9.9204","0.0014","10.226","0.0015","115.841","0.002","90.15","0.002","113.948","0.002","752.34","0.19","144.5","0.2","144.5","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Mg N O -","- C14 H23 Mg N O -","- C28 H46 Mg2 N2 O2 -","2","1","","Wang, Yang; Zhao, Wei; Liu, Dongtao; Li, Shihui; Liu, Xinli; Cui, Dongmei; Chen, Xuesi","Magnesium and Zinc Complexes Supported byN,O-Bidentate Pyridyl Functionalized Alkoxy Ligands: Synthesis and Immortal ROP of ε-CL andl-LA","Organometallics","2012","31","11","4182","","10.1021/om300113p","","","0.71073","MoKα","","0.0618","0.0514","","","0.1295","0.1383","","","","","","1.04","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078425","9.1722","0.0007","9.2924","0.0007","9.3428","0.0007","113.969","0.001","96.367","0.001","115.246","0.001","618.01","0.08","144.5","0.2","144.5","0.2","","","","","","","","5","P 1","P 1","1","","","","- C24 H38 N2 O2 Zn2 -","- C24 H38 N2 O2 Zn2 -","- C24 H38 N2 O2 Zn2 -","1","1","","Wang, Yang; Zhao, Wei; Liu, Dongtao; Li, Shihui; Liu, Xinli; Cui, Dongmei; Chen, Xuesi","Magnesium and Zinc Complexes Supported byN,O-Bidentate Pyridyl Functionalized Alkoxy Ligands: Synthesis and Immortal ROP of ε-CL andl-LA","Organometallics","2012","31","11","4182","","10.1021/om300113p","","","0.71073","MoKα","","0.0226","0.0209","","","0.0548","0.0559","","","","","","1.096","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078426","10.8501","0.0005","11.5735","0.0005","11.8514","0.0005","118.604","0.001","92.056","0.001","97.707","0.001","1286.19","0.1","185","2","185","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H70 N2 O4 Zn2 -","- C59 H70 N2 O4 Zn2 -","- C59 H70 N2 O4 Zn2 -","1","1","","Wang, Yang; Zhao, Wei; Liu, Dongtao; Li, Shihui; Liu, Xinli; Cui, Dongmei; Chen, Xuesi","Magnesium and Zinc Complexes Supported byN,O-Bidentate Pyridyl Functionalized Alkoxy Ligands: Synthesis and Immortal ROP of ε-CL andl-LA","Organometallics","2012","31","11","4182","","10.1021/om300113p","","","0.71073","MoKα","","0.0355","0.032","","","0.0804","0.0835","","","","","","1.105","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078427","11.5485","0.0003","11.1502","0.0003","14.8159","0.0004","90","","103.49","0.002","90","","1855.18","0.09","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 N4 O Zn -","- C17 H28 N4 O Zn -","- C68 H112 N16 O4 Zn4 -","4","1","","Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Tejeda, Juan; Honrado, Manuel; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.","ChiralN,N,O-Scorpionate Zinc Alkyls as Effective and Stereoselective Initiators for the Living ROP of Lactides","Organometallics","2012","31","11","4191","","10.1021/om300146n","","","0.71073","MoKα","","0.0598","0.0382","","","0.084","0.0924","","","","","","1.036","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078428","9.0973","0.0011","11.1423","0.0015","13.1146","0.0016","101.709","0.008","92.045","0.01","90.519","0.007","1300.7","0.3","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H76 N8 O2 Zn2 -","- C50 H76 N8 O2 Zn2 -","- C50 H76 N8 O2 Zn2 -","1","0.5","","Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Tejeda, Juan; Honrado, Manuel; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.","ChiralN,N,O-Scorpionate Zinc Alkyls as Effective and Stereoselective Initiators for the Living ROP of Lactides","Organometallics","2012","31","11","4191","","10.1021/om300146n","","","0.71073","MoKα","","0.052","0.041","","","0.0986","0.104","","","","","","1.082","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078429","10.3813","0.0009","10.674","0.001","11.9827","0.0012","88.302","0.006","73.59","0.007","71.206","0.006","1203","0.2","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H72 N8 O2 Si2 Zn2 -","- C40 H72 N8 O2 Si2 Zn2 -","- C40 H72 N8 O2 Si2 Zn2 -","1","0.5","","Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Tejeda, Juan; Honrado, Manuel; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.","ChiralN,N,O-Scorpionate Zinc Alkyls as Effective and Stereoselective Initiators for the Living ROP of Lactides","Organometallics","2012","31","11","4191","","10.1021/om300146n","","","0.71073","MoKα","","0.0913","0.0556","","","0.1514","0.1873","","","","","","0.856","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078430","9.0504","0.0005","10.578","0.0005","12.6055","0.0006","66.139","0.002","82.399","0.003","65.589","0.002","1004.1","0.09","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N8 O2 Zn2 -","- C42 H56 N8 O2 Zn2 -","- C42 H56 N8 O2 Zn2 -","1","0.5","","Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Tejeda, Juan; Honrado, Manuel; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.","ChiralN,N,O-Scorpionate Zinc Alkyls as Effective and Stereoselective Initiators for the Living ROP of Lactides","Organometallics","2012","31","11","4191","","10.1021/om300146n","","","0.71073","MoKα","","0.029","0.0266","","","0.0745","0.0766","","","","","","1.157","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078431","19.6254","0.0004","19.6254","0.0004","9.1641","0.0002","90","","90","","120","","3056.73","0.11","100","2","100","2","","","","","","","","6","P 64","P 64","172","","","","- C40 H50 Cl2 N4 O2 Ti -","- C40 H50 Cl2 N4 O2 Ti -","- C120 H150 Cl6 N12 O6 Ti3 -","3","0.5","","Tanaka, Ryo; Viehmann, Philipp; Hecht, Stefan","Bis(phenoxy-azo)titanium(IV) Complexes: Synthesis, Structure, and Catalytic Activity in Styrene Polymerization","Organometallics","2012","31","11","4216","","10.1021/om3001636","","","0.71073","MoKα","","0.0363","0.0346","","","0.0825","0.0832","","","","","","1.06","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078432","14.5556","0.0006","25.3682","0.001","11.6943","0.0005","90","","97.611","0.003","90","","4280.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 Cl4 F4 N4 O2 Ti -","- C41 H48 Cl4 F4 N4 O2 Ti -","- C164 H192 Cl16 F16 N16 O8 Ti4 -","4","1","","Tanaka, Ryo; Viehmann, Philipp; Hecht, Stefan","Bis(phenoxy-azo)titanium(IV) Complexes: Synthesis, Structure, and Catalytic Activity in Styrene Polymerization","Organometallics","2012","31","11","4216","","10.1021/om3001636","","","0.71073","MoKα","","0.1113","0.048","","","0.0778","0.0903","","","","","","0.806","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078433","8.9564","0.0001","14.6923","0.0002","16.573","0.0002","90","","90","","90","","2180.84","0.05","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H23 N3 O2 Pt -","- C26 H23 N3 O2 Pt -","- C104 H92 N12 O8 Pt4 -","4","1","","Fuertes, Sara; Woodall, Christopher H.; Raithby, Paul R.; Sicilia, Violeta","Heteropolynuclear Pt(II)‒M(I) Clusters with a C∧N∧C Biscyclometalated Ligand","Organometallics","2012","31","11","4228","","10.1021/om300170j","","","1.5418","CuKα","","0.0321","0.0281","","","0.0683","0.0707","","","","","","1.099","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078434","11.8031","0.0009","11.972","0.0009","16.1715","0.0012","73.449","0.001","78.35","0.001","80.009","0.001","2128.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cl2 N4 O4 Pt2 -","- C47 H40 Cl2 N4 O4 Pt2 -","- C94 H80 Cl4 N8 O8 Pt4 -","2","1","","Fuertes, Sara; Woodall, Christopher H.; Raithby, Paul R.; Sicilia, Violeta","Heteropolynuclear Pt(II)‒M(I) Clusters with a C∧N∧C Biscyclometalated Ligand","Organometallics","2012","31","11","4228","","10.1021/om300170j","","","0.7749","synchrotron","","0.0866","0.0466","","","0.1006","0.1165","","","","","","0.947","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078435","17.161","0.005","18.165","0.005","30.518","0.005","90","","90","","90","","9513","4","150","2","150","2","","","","","","","","8","P b 21 a","P -2a -2ab","29","","","","- C52 H46 Ag B F4 N6 O4 Pt2 -","- C52 H46 Ag B F4 N6 O4 Pt2 -","- C416 H368 Ag8 B8 F32 N48 O32 Pt16 -","8","2","","Fuertes, Sara; Woodall, Christopher H.; Raithby, Paul R.; Sicilia, Violeta","Heteropolynuclear Pt(II)‒M(I) Clusters with a C∧N∧C Biscyclometalated Ligand","Organometallics","2012","31","11","4228","","10.1021/om300170j","","","0.71073","MoKα","","0.1256","0.0545","","","0.0931","0.114","","","","","","1.009","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078436","8.2533","0.0012","8.2533","0.0012","27.378","0.006","90","","90","","90","","1864.9","0.6","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H26 Cl2 Li N2 Ti -","- C16 H26 Cl2 Li N2 Ti -","- C64 H104 Cl8 Li4 N8 Ti4 -","4","0.5","","Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas","Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3.","Organometallics","2012","31","11","4309","4319","10.1021/om3001873","","","0.71073","MoKα","","0.0597","0.0568","","","0.1158","0.1171","","","","","","1.255","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078437","11.539","0.002","11.888","0.002","19.059","0.004","90","","95.56","0.03","90","","2602.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl2 K O6 Zr -","- C22 H34 Cl2 K O6 Zr -","- C88 H136 Cl8 K4 O24 Zr4 -","4","1","","Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas","Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3.","Organometallics","2012","31","11","4309","4319","10.1021/om3001873","","","0.71073","MoKα","","0.0706","0.0509","","","0.1031","0.111","","","","","","1.072","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078438","22.15","0.004","15.819","0.003","18.277","0.004","90","","96.07","0.03","90","","6368","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H98 K O7.5 Si8 Zr -","- C47.161 H98 K O7.613 Si8 Zr -","- C188.644 H392 K4 O30.452 Si32 Zr4 -","4","1","","Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas","Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3.","Organometallics","2012","31","11","4309","4319","10.1021/om3001873","","","0.71073","MoKα","","0.0678","0.0494","","","0.1071","0.1148","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078439","11.06","0.002","13.291","0.003","21.226","0.004","77.47","0.03","81.03","0.03","70.17","0.03","2853.7","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H82 Hf K O6 Si8 -","- C38 H82 Hf K O6 Si8 -","- C76 H164 Hf2 K2 O12 Si16 -","2","1","","Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas","Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3.","Organometallics","2012","31","11","4309","4319","10.1021/om3001873","","","0.71073","MoKα","","0.0882","0.0645","","","0.1209","0.1293","","","","","","1.028","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078440","13.884","0.003","15.265","0.003","27.786","0.006","90","","99.18","0.03","90","","5814","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H81 Hf K O6 Si8 -","- C43 H81 Hf K O6 Si8 -","- C172 H324 Hf4 K4 O24 Si32 -","4","1","","Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas","Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3.","Organometallics","2012","31","11","4309","4319","10.1021/om3001873","","","0.71073","MoKα","","0.0901","0.0667","","","0.1283","0.1377","","","","","","1.108","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078441","9.8793","0.0003","12.7041","0.0004","12.8138","0.0004","90","","90","","90","","1608.23","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","SSR26-1596 (S,S~Ox~,R~Fc~)-26","(S,S~Ox~,S~Fc~)-2-[4,5-Dihydro-4-(1-methylethyl)oxazol-2-yl)-1- [1-(hydroxy)ethyl]-ferrocene, (S,S~Ox~,S~Fc~)-26","","- C18 H23 Fe N O2 -","- C18 H23 Fe N O2 -","- C72 H92 Fe4 N4 O8 -","4","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0311","0.0266","","","0.0655","0.0675","","","","","","0.998","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078442","13.445","0.0004","11.3616","0.0003","13.8849","0.0004","90","","104.865","0.002","90","","2050.03","0.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","RRR17-1593 (R~Ox~,R~Fc~)-17","Dichloro[(4~R~,1'R,R~Fc~)-2-[4,5-dihydro-4-(1-methylethyl)oxazol-2-yl-κN) -1-[1'-(diphenylphosphino)-ethyl-κP]-ferrocene]triphenylphosphine ruthenium","","- C48 H47 Cl2 Fe N O P2 Ru -","- C48 H47 Cl2 Fe N O P2 Ru -","- C96 H94 Cl4 Fe2 N2 O2 P4 Ru2 -","2","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0338","0.028","","","0.064","0.0672","","","","","","1.038","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078443","10.3672","0.0004","15.3829","0.0006","29.4389","0.0012","90","","90","","90","","4694.8","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","RR44-1591 (R,R~Fc~)-44.C7H8 (toluene solv squeezed)","Dichloro[(R,R~Fc~)-2-[4,5-dihydro-4,4-dimethyloxazol-2-yl-κN)-1- [1-(diphenylphosphino)ethyl-κP]-ferrocene]triphenylphosphine ruthenium toluene solvate","","- C54 H53 Cl2 Fe N O P2 Ru -","- C47 H45 Cl2 Fe N O P2 Ru -","- C188 H180 Cl8 Fe4 N4 O4 P8 Ru4 -","4","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0242","0.0226","","","0.0535","0.0541","","","","","","1.107","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078444","10.0952","0.0006","11.0657","0.0006","12.6518","0.0012","105.215","0.004","96.05","0.004","115.719","0.002","1188.96","0.16","100","2","100","2","","","","","","","","8","P 1","P 1","1","RRR50-1605 (R,R~Ox~,R~Fc~)-22.CH2Cl2","Dichloro(acetonitrile)[(4R,1'R,R~Fc~))-2-[4,5-dihydro-4-(1-methylethyl) oxazol-2-yl-κN)-1-[1-(diphenylphosphino)ethyl-κP]-ferrocene] triphenylphosphine ruthenium dichloromethane solvate","","- C51 H52 Cl4 Fe N2 O P2 Ru -","- C51 H52 Cl4 Fe N2 O P2 Ru -","- C51 H52 Cl4 Fe N2 O P2 Ru -","1","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0424","0.0414","","","0.1064","0.1075","","","","","","1.031","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078445","11.531","0.002","21.358","0.004","22","0.004","90","","90","","90","","5418.1","1.7","299","2","299","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","SS51-1590 (S~Ox~,S~Fc~)-23.C7H8","Dichloro(acetonitrile)[(S,S~Fc~)-2-[4,5-dihydro-4-(1-methylethyl)oxazol -2-yl-κN)-1-[bis(3,5-dimethylphenyl)-phosphino-methyl-κP]-ferrocene] triphenylphosphine ruthenium toluene solvate","","- C60 H64 Cl2 Fe N2 O P2 Ru -","- C60 H64 Cl2 Fe N2 O P2 Ru -","- C240 H256 Cl8 Fe4 N8 O4 P8 Ru4 -","4","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0815","0.0476","","","0.0805","0.091","","","","","","1.043","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078446","14.939","0.002","8.2123","0.0012","19.487","0.003","90","","110.396","0.003","90","","2240.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 B10 Zr -","- C20 H28 B10 Zr -","- C80 H112 B40 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary","Organometallics","2012","31","12","4435","","10.1021/om300202p","","","0.71073","MoKα","","0.0461","0.0347","","","0.0864","0.094","","","","","","1.035","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078447","7.9728","0.0014","10.4442","0.0018","31.469","0.005","84.831","0.003","84.646","0.003","75.807","0.003","2523.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.75 H29 B10 Cl Zr -","- C21.75 H28.75 B10 Cl Zr -","- C87 H115 B40 Cl4 Zr4 -","4","2","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary","Organometallics","2012","31","12","4435","","10.1021/om300202p","","","0.71073","MoKα","","0.0674","0.0476","","","0.1135","0.1275","","","","","","1.03","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078448","13.651","0.006","8.427","0.004","20.131","0.008","90","","102.878","0.008","90","","2257.6","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 B10 F Zr -","- C20 H27 B10 F Zr -","- C80 H108 B40 F4 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary","Organometallics","2012","31","12","4435","","10.1021/om300202p","","","0.71073","MoKα","","0.1243","0.0519","","","0.1205","0.1574","","","","","","0.997","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078449","11.0854","0.0016","9.0659","0.0014","23.525","0.004","90","","99.115","0.002","90","","2334.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 B10 Si Zr -","- C17 H32 B10 Si Zr -","- C68 H128 B40 Si4 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary","Organometallics","2012","31","12","4435","","10.1021/om300202p","","","0.71073","MoKα","","0.0453","0.035","","","0.0884","0.0951","","","","","","1.046","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078450","10.6623","0.0017","11.7305","0.0019","28.37","0.005","90","","94.829","0.003","90","","3535.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 B10 P Zr -","- C33 H41 B10 P Zr -","- C132 H164 B40 P4 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary","Organometallics","2012","31","12","4435","","10.1021/om300202p","","","0.71073","MoKα","","0.0654","0.0512","","","0.1319","0.1431","","","","","","1.072","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078451","11.6198","0.0018","8.1583","0.0012","20.357","0.003","90","","101.039","0.002","90","","1894.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 B10 Zr -","- C14 H24 B10 Zr -","- C56 H96 B40 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary","Organometallics","2012","31","12","4435","","10.1021/om300202p","","","0.71073","MoKα","","0.037","0.0305","","","0.0781","0.083","","","","","","1.057","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078452","10.4877","0.0017","26.632","0.004","19.416","0.003","90","","104.782","0.003","90","","5243.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 B10 Zr -","- C18 H32 B10 Zr -","- C144 H256 B80 Zr8 -","8","2","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary","Organometallics","2012","31","12","4435","","10.1021/om300202p","","","0.71073","MoKα","","0.2297","0.0791","","","0.215","0.299","","","","","","0.95","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078453","11.725","0.0018","12.2721","0.0019","12.3955","0.0019","105.274","0.003","90.058","0.002","118.131","0.002","1500.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 B10 P Zr -","- C27 H35 B10 P Zr -","- C54 H70 B20 P2 Zr2 -","2","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Reaction of Zirconocene‒Carboryne with Alkenes: Synthesis and Structure of Zirconacyclopentanes with a Carborane Auxiliary","Organometallics","2012","31","12","4435","","10.1021/om300202p","","","0.71073","MoKα","","0.0471","0.0378","","","0.0958","0.103","","","","","","1.023","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078454","12.8382","0.0016","18.667","0.002","27.09","0.004","90","","90","","90","","6492.1","1.4","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl F3 O4 Ru S -","- C19 H24 Cl F3 O4 Ru S -","- C228 H288 Cl12 F36 O48 Ru12 S12 -","12","3","","Dubarle-Offner, Julien; Axet, M. Rosa; Chamoreau, Lise Marie; Amouri, Hani; Cooksy, Andrew L.","Enantiomerically Pure, Planar Chiral Cp*Ru Complexes: Synthesis, Molecular Structures, DFT and Coordination Properties","Organometallics","2012","31","12","4429","","10.1021/om300210c","","","0.71073","MoKα","","0.102","0.0456","","","0.0776","0.09","","","","","","0.978","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078455","12.8789","0.0003","18.7454","0.0004","27.1349","0.0005","90","","90","","90","","6550.9","0.2","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl F3 O4 Ru S -","- C19 H24 Cl F3 O4 Ru S -","- C228 H288 Cl12 F36 O48 Ru12 S12 -","12","3","","Dubarle-Offner, Julien; Axet, M. Rosa; Chamoreau, Lise Marie; Amouri, Hani; Cooksy, Andrew L.","Enantiomerically Pure, Planar Chiral Cp*Ru Complexes: Synthesis, Molecular Structures, DFT and Coordination Properties","Organometallics","2012","31","12","4429","","10.1021/om300210c","","","0.71073","MoKα","","0.0446","0.0337","","","0.078","0.0827","","","","","","1.039","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078456","10.1595","0.0004","13.896","0.0006","17.6339","0.0007","70.633","0.001","84.29","0.001","84.716","0.001","2332.33","0.17","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Ir N2 O7 -","- C22 H31 Ir N2 O7 -","- C88 H124 Ir4 N8 O28 -","4","2","","Ito, Jun-ichi; Kaneda, Tomoko; Nishiyama, Hisao","Intermolecular C‒H Bond Activation of Alkanes and Arenes by NCN Pincer Iridium(III) Acetate Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","12","4442","","10.1021/om3002137","","","0.71073","MoKα","","0.0374","0.0293","","","0.0698","0.073","","","","","","1.024","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078457","8.975","0.002","9.26","0.002","14.926","0.004","89.078","0.005","74.752","0.004","78.249","0.005","1170.8","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 Ir N2 O4 -","- C26 H31 Ir N2 O4 -","- C52 H62 Ir2 N4 O8 -","2","1","","Ito, Jun-ichi; Kaneda, Tomoko; Nishiyama, Hisao","Intermolecular C‒H Bond Activation of Alkanes and Arenes by NCN Pincer Iridium(III) Acetate Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","12","4442","","10.1021/om3002137","","","0.71073","MoKα","","0.0319","0.0311","","","0.0792","0.0797","","","","","","1.033","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078458","9.398","0.002","9.958","0.002","15.504","0.004","96.536","0.004","103.254","0.004","104.315","0.004","1345.9","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H41 Ir N2 O4 -","- C27 H41 Ir N2 O4 -","- C54 H82 Ir2 N4 O8 -","2","1","","Ito, Jun-ichi; Kaneda, Tomoko; Nishiyama, Hisao","Intermolecular C‒H Bond Activation of Alkanes and Arenes by NCN Pincer Iridium(III) Acetate Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","12","4442","","10.1021/om3002137","","","0.71073","MoKα","","0.044","0.0425","","","0.1051","0.1064","","","","","","1.046","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078459","29.684","0.003","21.3585","0.0017","21.512","0.002","90","","123.705","0.004","90","","11346.1","1.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H63 B Ir O5 P3 -","- C65 H42 B Ir O5 P3 -","- C520 H336 B8 Ir8 O40 P24 -","8","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand","Organometallics","2012","31","11","4251","","10.1021/om300216g","","","0.7107","MoKα","","0.1241","0.0972","","","0.187","0.2007","","","","","","1.163","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078460","11.792","0.004","11.898","0.004","20.843","0.007","96.44","0.003","100.189","0.003","105.176","0.004","2738.9","1.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H56 B Cl4 O3 P4 Rh -","- C59 H56 B Cl4 O3 P4 Rh -","- C118 H112 B2 Cl8 O6 P8 Rh2 -","2","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand","Organometallics","2012","31","11","4251","","10.1021/om300216g","","","0.7107","MoKα","","0.1199","0.098","","","0.1972","0.2094","","","","","","1.15","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078461","12.0555","0.0011","12.11","0.0011","21.2356","0.0018","98.422","0.003","94.531","0.004","106.692","0.004","2913.5","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C64.68 H68.7 B Cl1.32 O3 P4 Rh -","- C64.68 H68.7 B Cl1.32 O3 P4 Rh -","- C129.36 H137.4 B2 Cl2.64 O6 P8 Rh2 -","2","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand","Organometallics","2012","31","11","4251","","10.1021/om300216g","","","0.7107","MoKα","","0.0911","0.0727","","","0.1496","0.1587","","","","","","1.134","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078462","42.509","0.002","11.9298","0.0004","21.7156","0.0011","90","","109.072","0.002","90","","10408","0.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H54 B Cl2 Ir P4 -","- C58 H52 B Cl2 Ir P4 -","- C464 H416 B8 Cl16 Ir8 P32 -","8","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand","Organometallics","2012","31","11","4251","","10.1021/om300216g","","","0.7107","MoKα","","0.0571","0.0529","","","0.1318","0.1346","","","","","","1.139","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078463","11.9389","0.0005","22.1383","0.0009","40.6437","0.0019","90","","90","","90","","10742.4","0.8","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H62 B Ir O4 P4 -","- C61 H62 B Ir O4 P4 -","- C488 H496 B8 Ir8 O32 P32 -","8","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand","Organometallics","2012","31","11","4251","","10.1021/om300216g","","","0.7107","MoKα","","0.107","0.0865","","","0.1305","0.1368","","","","","","1.286","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078464","10.0635","0.0004","33.3267","0.0013","13.3096","0.0005","90","","90.003","0.0018","90","","4463.8","0.3","200.1","","200.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H46 Ir O P3 -","- C55 H46 Ir O P3 -","- C220 H184 Ir4 O4 P12 -","4","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand","Organometallics","2012","31","11","4251","","10.1021/om300216g","","","0.7107","MoKα","","","0.0269","","","","0.054","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078465","23.5025","0.0019","14.4025","0.0012","10.9535","0.0009","90","","98.026","0.001","90","","3671.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 Cl2 O4 Os P2 -","- C32 H60 Cl2 O4 Os P2 -","- C128 H240 Cl8 O16 Os4 P8 -","4","1","","Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique","Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions","Organometallics","2012","31","12","4450","","10.1021/om300236y","","","0.71073","MoKα","","0.0759","0.0351","","","0.0663","0.0765","","","","","","0.994","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078466","8.989","0.002","11.663","0.003","14.432","0.003","107.341","0.003","101.738","0.004","90.621","0.004","1409.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H43 Cl2 O4 Os P -","- C25.5 H43 Cl2 O4 Os P -","- C51 H86 Cl4 O8 Os2 P2 -","2","1","","Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique","Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions","Organometallics","2012","31","12","4450","","10.1021/om300236y","","","0.71073","MoKα","","0.0554","0.0366","","","0.0837","0.092","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078467","17.1473","0.0011","13.2268","0.0008","17.7132","0.0011","90","","109.102","0.001","90","","3796.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H62 Cl2 O4 Os P2 -","- C33 H62 Cl2 O4 Os P2 -","- C132 H248 Cl8 O16 Os4 P8 -","4","1","","Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique","Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions","Organometallics","2012","31","12","4450","","10.1021/om300236y","","","0.71073","MoKα","","0.0473","0.0301","","","0.0617","0.069","","","","","","1.007","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078468","12.0804","0.0007","14.8396","0.0008","15.5905","0.0008","95.5198","0.0006","91.0671","0.0007","103.017","0.0007","2708.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H93 Cl6 P4 Ru2 -","- C43 H93 Cl6 P4 Ru2 -","- C86 H186 Cl12 P8 Ru4 -","2","1","","Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique","Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions","Organometallics","2012","31","12","4450","","10.1021/om300236y","","","0.71073","MoKα","","0.0472","0.036","","","0.0826","0.0895","","","","","","1.046","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078469","14.3886","0.0013","21.3489","0.0019","23.201","0.002","90","","92.22","0.002","90","","7121.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H120 Cl7 O P5 Ru3 -","- C58 H120 Cl7 O P5 Ru3 -","- C232 H480 Cl28 O4 P20 Ru12 -","4","1","","Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique","Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions","Organometallics","2012","31","12","4450","","10.1021/om300236y","","","0.71073","MoKα","","0.0812","0.0483","","","0.1039","0.1238","","","","","","1.041","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078470","8.5966","0.0011","21.533","0.003","15.62","0.002","90","","102.284","0.002","90","","2825.2","0.6","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C38 H92 Cl9 O2 P4 Ru4 -","- C38 H92 Cl9 O2 P4 Ru4 -","- C76 H184 Cl18 O4 P8 Ru8 -","2","1","","Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique","Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions","Organometallics","2012","31","12","4450","","10.1021/om300236y","","","0.71073","MoKα","","0.1047","0.0738","","","0.171","0.1921","","","","","","1.025","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078471","12.4319","0.0005","14.0115","0.0007","19.976","0.0007","90","","123.29","0.002","90","","2908.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl4 Fe2 N4 -","- C54 H76 Cl4 Fe2 N4 -","- C108 H152 Cl8 Fe4 N8 -","2","0.5","","Danopoulos, Andreas A.; Braunstein, Pierre; Wesolek, Marcel; Monakhov, Kirill Yu.; Rabu, Pierre; Robert, Vincent","Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes","Organometallics","2012","31","11","4102","","10.1021/om300245z","","x-ray","0.71073","MoKα","","0.1049","0.0495","","","0.1127","0.1323","","","","","","0.971","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078472","18.71","0.0011","15.2061","0.0009","26.7567","0.0013","90","","129.027","0.003","90","","5913.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H87 Cl3 Fe N4 O -","- C58 H87 Cl3 Fe N4 O -","- C232 H348 Cl12 Fe4 N16 O4 -","4","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Wesolek, Marcel; Monakhov, Kirill Yu.; Rabu, Pierre; Robert, Vincent","Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes","Organometallics","2012","31","11","4102","","10.1021/om300245z","","","0.71073","MoKα","","0.1333","0.0569","","","0.1021","0.1233","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078473","10.8657","0.0005","19.6748","0.001","18.3887","0.0007","90","","102.853","0.002","90","","3832.6","0.3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H60 Fe N2 Si2 -","- C35 H60 Fe N2 Si2 -","- C140 H240 Fe4 N8 Si8 -","4","0.5","","Danopoulos, Andreas A.; Braunstein, Pierre; Wesolek, Marcel; Monakhov, Kirill Yu.; Rabu, Pierre; Robert, Vincent","Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes","Organometallics","2012","31","11","4102","","10.1021/om300245z","","","0.71073","MoKα","","0.0715","0.0457","","","0.1164","0.1373","","","","","","1.088","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078474","12.9187","0.0009","20.3203","0.0015","17.675","0.001","90","","128.676","0.003","90","","3622.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 Fe N2 -","- C41 H50 Fe N2 -","- C164 H200 Fe4 N8 -","4","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Wesolek, Marcel; Monakhov, Kirill Yu.; Rabu, Pierre; Robert, Vincent","Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes","Organometallics","2012","31","11","4102","","10.1021/om300245z","","","0.71073","MoKα","","0.1337","0.0525","","","0.1101","0.1364","","","","","","0.997","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078475","9.8227","0.0013","10.4789","0.0014","16.399","0.002","88.031","0.002","88.594","0.003","76.928","0.002","1643","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H49 Cl Fe N2 Si -","- C31 H49 Cl Fe N2 Si -","- C62 H98 Cl2 Fe2 N4 Si2 -","2","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Wesolek, Marcel; Monakhov, Kirill Yu.; Rabu, Pierre; Robert, Vincent","Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes","Organometallics","2012","31","11","4102","","10.1021/om300245z","","","0.71073","MoKα","","0.1206","0.0708","","","0.198","0.217","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078476","10.5786","0.0009","15.0704","0.0013","21.3192","0.0019","90","","97.581","0.002","90","","3369.1","0.5","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N P Sc Si2 -","- C33 H45 N P Sc Si2 -","- C132 H180 N4 P4 Sc4 Si8 -","4","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.0703","0.046","","","0.1032","0.1145","","","","","","1.014","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078477","12.8035","0.0007","19.0339","0.0012","16.0092","0.0009","90","","102.792","0.001","90","","3804.6","0.4","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 N P Sc Si2 -","- C37 H53 N P Sc Si2 -","- C148 H212 N4 P4 Sc4 Si8 -","4","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.119","0.0724","","","0.1878","0.2212","","","","","","1.029","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078478","10.4412","0.0006","11.3389","0.0007","18.9326","0.0011","103.153","0.001","103.292","0.001","100.4","0.001","2059.1","0.2","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H61 N O P Si2 Y -","- C41 H61 N O P Si2 Y -","- C82 H122 N2 O2 P2 Si4 Y2 -","2","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.0891","0.0532","","","0.0952","0.1122","","","","","","1.009","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078479","10.4379","0.0008","11.3382","0.001","18.9312","0.0015","102.768","0.007","103.164","0.006","100.469","0.007","2063.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H61 N O P Si2 Sm -","- C41 H61 N O P Si2 Sm -","- C82 H122 N2 O2 P2 Si4 Sm2 -","2","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71069","MoKα","","0.1","0.048","","","0.0884","0.0973","","","","","","0.712","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078480","10.5185","0.0015","11.4565","0.0016","19.097","0.003","103.105","0.017","103.463","0.017","100.589","0.016","2110.7","0.6","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H61 N Nd O P Si2 -","- C41 H61 N Nd O P Si2 -","- C82 H122 N2 Nd2 O2 P2 Si4 -","2","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.0261","0.0223","","","0.054","0.0555","","","","","","1.038","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078481","20.2622","0.001","10.6935","0.0005","27.7835","0.0014","90","","106.818","0.001","90","","5762.5","0.5","185","2","185","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 N P -","- C33 H40 N P -","- C264 H320 N8 P8 -","8","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.0826","0.0622","","","0.1495","0.162","","","","","","1.062","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078482","10.5235","0.0013","12.1911","0.0015","19.213","0.002","77.879","0.002","83.716","0.002","77.899","0.002","2350.9","0.5","185","2","185","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H69 Cl0 Li0 N O P Si2 Y -","- C45 H69 N O P Si2 Y -","- C90 H138 N2 O2 P2 Si4 Y2 -","2","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.0634","0.0477","","","0.1143","0.1222","","","","","","1.04","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078483","10.6584","0.0012","13.5597","0.0016","17.494","0.002","95.119","0.002","103.459","0.002","95.31","0.002","2432.3","0.5","185","2","185","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H69 Cl Li N O P Si2 Y -","- C45 H69 Cl Li N O P Si2 Y -","- C90 H138 Cl2 Li2 N2 O2 P2 Si4 Y2 -","2","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.1358","0.0781","","","0.1675","0.1895","","","","","","1.074","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078484","9.9438","0.0006","10.8071","0.0006","19.8967","0.0012","98.062","0.001","96.699","0.001","99.546","0.001","2066.2","0.2","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H61 Lu N P Si2 -","- C41 H61 Lu N P Si2 -","- C82 H122 Lu2 N2 P2 Si4 -","2","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.0705","0.054","","","0.1258","0.1358","","","","","","1.013","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078485","11.5603","0.0006","12.7372","0.0007","17.6573","0.001","78.932","0.001","74.166","0.001","71.196","0.001","2352.3","0.2","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H63 N O P Si2 Y -","- C48 H63 N O P Si2 Y -","- C96 H126 N2 O2 P2 Si4 Y2 -","2","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.0673","0.0473","","","0.112","0.1214","","","","","","1.03","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078486","11.249","0.003","18.82","0.005","18.458","0.005","90","","94.015","0.005","90","","3898.1","1.8","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 N O0 P Sc Si2 -","- C39 H51 N P Sc Si2 -","- C156 H204 N4 P4 Sc4 Si8 -","4","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.1707","0.0737","","","0.1588","0.2016","","","","","","0.99","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078487","12.748","0.0018","15.054","0.002","21.245","0.003","90","","91.198","0.003","90","","4076.2","1","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 N P Sc Si2 -","- C41 H55 N P Sc Si2 -","- C164 H220 N4 P4 Sc4 Si8 -","4","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.1639","0.0735","","","0.1391","0.1763","","","","","","0.966","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078488","20.4246","0.0011","12.2682","0.0006","20.6234","0.0011","90","","115.967","0.001","90","","4646","0.4","185","2","185","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H63 Lu N O2 P Si2 -","- C48 H63 Lu N O2 P Si2 -","- C192 H252 Lu4 N4 O8 P4 Si8 -","4","1","","Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei","Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization","Organometallics","2012","31","11","4267","","10.1021/om300263p","","","0.71073","MoKα","","0.049","0.0341","","","0.0703","0.0763","","","","","","0.997","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078489","10.2751","0.0007","10.7169","0.0009","18.3052","0.0013","96.786","0.007","100.517","0.006","115.091","0.006","1751","0.3","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30.92 H46.76 B2 I0.08 N12 U -","- C30.921 H46.763 B2 I0.079 N12 U -","- C61.842 H93.526 B4 I0.158 N24 U2 -","2","1","","Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.","Use of Alkylsodium Reagents for the Synthesis of Trivalent Uranium Alkyl Complexes","Organometallics","2012","31","12","4467","","10.1021/om3002763","","","1.54184","CU-Kα","","0.064","0.06","","","0.163","0.167","","","","","","1.105","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4078490","12.6822","0.0008","13.1029","0.001","14.4609","0.001","78.889","0.005","66.013","0.005","84.836","0.004","2154.2","0.3","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H62 B2 N12 Si U -","- C37 H62 B2 N12 Si U -","- C74 H124 B4 N24 Si2 U2 -","2","1","","Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.","Use of Alkylsodium Reagents for the Synthesis of Trivalent Uranium Alkyl Complexes","Organometallics","2012","31","12","4467","","10.1021/om3002763","","","1.54184","CU-Kα","","0.066","0.055","","","0.129","0.138","","","","","","1.063","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4078491","19.3062","0.0007","11.9134","0.0006","20.5103","0.0007","90","","112.352","0.003","90","","4363","0.3","150","2","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H58 B I3 Li N6 O4 U -","- C31 H58 B I3 Li N6 O4 U -","- C124 H232 B4 I12 Li4 N24 O16 U4 -","4","1","","Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.","Use of Alkylsodium Reagents for the Synthesis of Trivalent Uranium Alkyl Complexes","Organometallics","2012","31","12","4467","","10.1021/om3002763","","","1.54184","CU-Kα","","0.078","0.067","","","0.188","0.202","","","","","","1.063","","","","has coordinates","288189","2023-12-08","15:49:02",""
"4078492","12.9431","0.0006","12.9473","0.0001","14.0177","0.0004","79.24","0.015","70.22","0.011","60.124","0.011","1916.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 Cl2 P4 Pd -","- C41 H40 Cl2 P4 Pd -","- C82 H80 Cl4 P8 Pd2 -","2","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.7107","MoKα","","","0.0284","","","","0.0734","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078493","12.9466","0.0002","12.9941","0.0002","14.0856","0.0001","81.45","0.02","70.315","0.016","60.17","0.018","1935","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H42 Cl2 O P4 Pt -","- C41 H40 Cl2 O P4 Pt -","- C82 H80 Cl4 O2 P8 Pt2 -","2","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.7107","MoKα","","","0.0375","","","","0.0999","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078494","14.7507","0.0011","22.4667","0.0014","15.8882","0.0013","90","","113.48","0.003","90","","4829.4","0.6","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Cl5 O4 P4 Pd Rh3 -","- C45 H40 Cl5 O4 P4 Pd Rh3 -","- C180 H160 Cl20 O16 P16 Pd4 Rh12 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0376","","","","0.0772","","","","","","0.88","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078495","14.806","0.005","22.404","0.007","15.943","0.005","90","","113.955","0.004","90","","4833","3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Cl5 O4 P4 Pt Rh3 -","- C45 H40 Cl5 O4 P4 Pt Rh3 -","- C180 H160 Cl20 O16 P16 Pt4 Rh12 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0334","","","","0.0745","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078496","9.3394","0.0003","17.9855","0.0006","32.2552","0.001","90","","90.3334","0.0016","90","","5417.9","0.3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H43 Cl6 F6 O2 P5 Pd Rh2 -","- C44.5 H40 Cl6 F6 O2 P5 Pd Rh2 -","- C178 H160 Cl24 F24 O8 P20 Pd4 Rh8 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0565","","","","0.162","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078497","9.3739","0.0008","18.013","0.0016","32.212","0.003","90","","90.79","0.0009","90","","5438.5","0.8","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl7 F6 O2 P5 Pt Rh2 -","- C45 H40 Cl7 F6 O2 P5 Pt Rh2 -","- C180 H160 Cl28 F24 O8 P20 Pt4 Rh8 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0473","","","","0.1263","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078498","9.4603","0.0009","18.4033","0.0011","31.2044","0.0019","90","","98.529","0.004","90","","5372.6","0.7","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl7 F6 Ni O2 P5 Rh2 -","- C45 H44 Cl7 F6 Ni O2 P5 Rh2 -","- C180 H176 Cl28 F24 Ni4 O8 P20 Rh8 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.7107","MoKα","","","0.0662","","","","0.1938","","","","","","1.099","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078499","28.966","0.006","28.966","0.006","9.561","0.002","90","","90","","120","","6947","3","153","2","153","2","","","","","","","","6","P -3","-P 3","147","","","","- C43 H40 Cl3 O2 P4 Rh3 -","- C43 H40 Cl3 O2 P4 Rh3 -","- C258 H240 Cl18 O12 P24 Rh18 -","6","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.7107","MoKα","","","0.0677","","","","0.2075","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078500","12.881","0.006","19.929","0.008","21.468","0.009","90","","100.104","0.005","90","","5425","4","153","","153","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cl8 F6 Hg O2 P5 Rh3 -","- C45 H44 Cl8 F6 Hg O2 P5 Rh3 -","- C180 H176 Cl32 F24 Hg4 O8 P20 Rh12 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0373","","","","0.1003","","","","","","1.092","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078501","12.894","0.01","20.027","0.014","21.505","0.016","90","","99.159","0.012","90","","5482","7","153","","153","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Br2 Cl6 F6 Hg O2 P5 Rh3 -","- C45 H44 Br2 Cl6 F6 Hg O2 P5 Rh3 -","- C180 H176 Br8 Cl24 F24 Hg4 O8 P20 Rh12 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0414","","","","0.1194","","","","","","1.117","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078502","12.896","0.004","20.279","0.006","21.529","0.007","90","","99.757","0.004","90","","5549","3","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cl6 F6 Hg I2 O2 P5 Rh3 -","- C45 H40 Cl6 F6 Hg I2 O2 P5 Rh3 -","- C180 H160 Cl24 F24 Hg4 I8 O8 P20 Rh12 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0416","","","","0.1061","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078503","10.069","0.005","40.207","0.018","17.987","0.008","90","","90.57","0.004","90","","7282","6","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Cl11 F6 Hg N2 P5 Rh3 -","- C63 H64 Cl11 F6 Hg N2 P5 Rh3 -","- C252 H256 Cl44 F24 Hg4 N8 P20 Rh12 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0679","","","","0.1902","","","","","","1.063","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078504","10.164","0.007","40.57","0.03","18.108","0.013","90","","90.263","0.007","90","","7467","9","153","","153","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H59 Br2 Cl9 F6 Hg N2 P5 Rh3 -","- C62.5 H64 Br2 Cl9 F6 Hg N2 P5 Rh3 -","- C250 H256 Br8 Cl36 F24 Hg4 N8 P20 Rh12 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0632","","","","0.1919","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078505","10.095","0.007","40.3","0.03","18.002","0.012","90","","90.68","0.012","90","","7323","9","153","","153","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H65 Cl9 F6 Hg I2 N2 P5 Rh3 -","- C62.5 H64 Cl9 F6 Hg I2 N2 P5 Rh3 -","- C250 H256 Cl36 F24 Hg4 I8 N8 P20 Rh12 -","4","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.71075","MoKα","","","0.0651","","","","0.1875","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078506","22.929","0.002","17.504","0.002","10.4044","0.001","90","","90","","90","","4175.8","0.7","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[Pd(OPiv)2]3","","","- C30 H54 O12 Pd3 -","- C30 H54 O12 Pd3 -","- C120 H216 O48 Pd12 -","4","0.5","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2‒Pd or C3‒Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.127","0.0759","","","0.1592","0.2075","","","","","","1.152","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078507","24.476","0.002","15.3364","0.0018","12.3243","0.0011","90","","90","","90","","4626.2","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","4","","","- C32 H60 O14 Pd4 -","- C32 H60 O14 Pd4 -","- C128 H240 O56 Pd16 -","4","1","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2‒Pd or C3‒Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.0844","0.0521","","","0.1258","0.1507","","","","","","1.063","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078508","12.3044","0.0012","13.5915","0.0015","15.5969","0.0018","102.283","0.001","97.255","0.001","113.191","0.002","2277.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 N2 O10 Pd4 -","- C44 H50 N2 O10 Pd4 -","- C88 H100 N4 O20 Pd8 -","2","1","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2‒Pd or C3‒Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.1757","0.0803","","","0.1909","0.2595","","","","","","1.05","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078509","10.0615","0.0009","12.7131","0.0014","13.9613","0.0016","111.25","0.03","104.54","0.002","101.35","0.02","1526.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N2 O12 Pd4 -","- C56 H74 N2 O12 Pd4 -","- C56 H74 N2 O12 Pd4 -","1","0.5","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2–Pd or C3–Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.1146","0.0797","","","0.1982","0.2502","","","","","","1.073","","","","has coordinates,has disorder","276391","2022-06-29","09:17:05",""
"4078510","10.506","0.0011","14.4096","0.0015","18.235","0.002","68.559","0.001","81.929","0.002","87.051","0.002","2544.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl2 N2 O8 Pd4 -","- C48 H56 Cl2 N2 O8 Pd4 -","- C96 H112 Cl4 N4 O16 Pd8 -","2","1","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2–Pd or C3–Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.2153","0.0881","","","0.192","0.2944","","","","","","1.032","","","","has coordinates","276391","2022-06-29","09:17:06",""
"4078511","12.8613","0.0016","9.988","0.0013","18.081","0.002","90","","100.668","0.002","90","","2282.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N2 O10 Pd4 -","- C40 H58 N2 O10 Pd4 -","- C80 H116 N4 O20 Pd8 -","2","0.5","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2‒Pd or C3‒Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.2062","0.0803","","","0.1885","0.2782","","","","","","1.223","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078512","10.9773","0.0011","27.127","0.002","15.4785","0.0014","90","","106.257","0.002","90","","4424.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Cl2 N2 O8 Pd4 -","- C38 H52 Cl2 N2 O8 Pd4 -","- C152 H208 Cl8 N8 O32 Pd16 -","4","0.5","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2‒Pd or C3‒Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.1714","0.0822","","","0.1874","0.2601","","","","","","1.119","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078513","7.9735","0.0006","13.8238","0.001","25.7538","0.0018","90","","95.107","0.004","90","","2827.4","0.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl2 N3 O2 Re -","- C28 H34 Cl2 N3 O2 Re -","- C112 H136 Cl8 N12 O8 Re4 -","4","1","","Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Synthesis of Oxorhenium Acetyl and Benzoyl Complexes Incorporating Diamidopyridine Ligands: Implications for the Mechanism of CO Insertion","Organometallics","2012","31","11","4295","","10.1021/om3002872","","","0.71073","MoKα","","0.0699","0.039","","","0.075","0.0844","","","","","","1.028","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078514","17.067","0.006","16.635","0.007","18.941","0.007","90","","92.891","0.012","90","","5371","4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N3 O Re -","- C31 H34 N3 O Re -","- C248 H272 N24 O8 Re8 -","8","2","","Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Synthesis of Oxorhenium Acetyl and Benzoyl Complexes Incorporating Diamidopyridine Ligands: Implications for the Mechanism of CO Insertion","Organometallics","2012","31","11","4295","","10.1021/om3002872","","","0.71073","MoKα","","0.0679","0.0331","","","0.0571","0.0646","","","","","","1.036","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078515","13.536","0.005","13.995","0.004","15.66","0.006","78.11","0.018","79.25","0.02","75.795","0.018","2785.1","1.7","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N3 O2 Re -","- C32 H34 N3 O2 Re -","- C128 H136 N12 O8 Re4 -","4","2","","Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Synthesis of Oxorhenium Acetyl and Benzoyl Complexes Incorporating Diamidopyridine Ligands: Implications for the Mechanism of CO Insertion","Organometallics","2012","31","11","4295","","10.1021/om3002872","","","0.71073","MoKα","","0.0869","0.0429","","","0.0724","0.0843","","","","","","1.003","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078516","16.998","0.005","18.682","0.005","20.185","0.007","90","","124.049","0.007","90","","5311","3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28.85 H35.74 Br0.04 N3 O Re -","- C28.85 H35.7375 Br0.0375 N3 O Re -","- C230.8 H285.9 Br0.3 N24 O8 Re8 -","8","2","","Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Synthesis of Oxorhenium Acetyl and Benzoyl Complexes Incorporating Diamidopyridine Ligands: Implications for the Mechanism of CO Insertion","Organometallics","2012","31","11","4295","","10.1021/om3002872","","","0.71073","MoKα","","0.0776","0.0356","","","0.0677","0.078","","","","","","1.024","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078517","16.11","0.009","14.099","0.008","19.575","0.012","90","","100.814","0.014","90","","4367","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H70 N5 Si2 Zr -","- C41 H70 N5 Si2 Zr -","- C164 H280 N20 Si8 Zr4 -","4","1","","Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Synthesis, Characterization, and Thermal Rearrangement of Zirconium Tetraazadienyl and Pentaazadienyl Complexes","Organometallics","2012","31","12","4504","","10.1021/om300291b","","x-ray","0.71073","MoKα","","0.0672","0.0386","","","0.0748","0.0852","","","","","","1.016","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078518","11.902","0.006","19.455","0.009","17.797","0.01","90","","108.79","0.008","90","","3901","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 N7 Si2 Zr -","- C36 H57 N7 Si2 Zr -","- C144 H228 N28 Si8 Zr4 -","4","1","","Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Synthesis, Characterization, and Thermal Rearrangement of Zirconium Tetraazadienyl and Pentaazadienyl Complexes","Organometallics","2012","31","12","4504","","10.1021/om300291b","","x-ray","0.71073","MoKα","","0.0604","0.0376","","","0.0791","0.0894","","","","","","1.029","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078519","14.881","0.006","15.938","0.007","22.278","0.011","71.859","0.013","75.371","0.011","67.362","0.012","4581","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H70 N7 Si2 Zr -","- C39 H63 N7 Si2 Zr -","- C156 H252 N28 Si8 Zr4 -","4","2","","Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Synthesis, Characterization, and Thermal Rearrangement of Zirconium Tetraazadienyl and Pentaazadienyl Complexes","Organometallics","2012","31","12","4504","","10.1021/om300291b","","x-ray","0.71073","MoKα","","0.089","0.0533","","","0.135","0.15","","","","","","1.057","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078520","12.0891","0.001","24.999","0.002","16.8649","0.0014","90","","97.037","0.002","90","","5058.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H76 N8 Si3 Zr -","- C43 H68 N8 Si3 Zr -","- C172 H272 N32 Si12 Zr4 -","4","1","","Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Synthesis, Characterization, and Thermal Rearrangement of Zirconium Tetraazadienyl and Pentaazadienyl Complexes","Organometallics","2012","31","12","4504","","10.1021/om300291b","","x-ray","0.71073","MoKα","","0.0453","0.0346","","","0.0868","0.0932","","","","","","1.075","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078521","12.1836","0.0019","26.096","0.004","16.732","0.003","90","","97.041","0.003","90","","5279.7","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H78 N8 Si2 Zr -","- C53.5 H78 N8 Si2 Zr -","- C214 H312 N32 Si8 Zr4 -","4","1","","Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Synthesis, Characterization, and Thermal Rearrangement of Zirconium Tetraazadienyl and Pentaazadienyl Complexes","Organometallics","2012","31","12","4504","","10.1021/om300291b","","x-ray","0.71073","MoKα","","0.0791","0.0452","","","0.0997","0.1203","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078522","14.713","0.002","10.0813","0.0015","28.87","0.004","90","","98.683","0.003","90","","4233.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 N6 Si2 Zr -","- C42 H62 N6 Si2 Zr -","- C168 H248 N24 Si8 Zr4 -","4","1","","Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Synthesis, Characterization, and Thermal Rearrangement of Zirconium Tetraazadienyl and Pentaazadienyl Complexes","Organometallics","2012","31","12","4504","","10.1021/om300291b","","x-ray","0.71073","MoKα","","0.0937","0.0665","","","0.1776","0.1923","","","","","","1.111","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078523","11.6407","0.0002","14.0195","0.0003","24.0667","0.0004","90","","90","","90","","3927.61","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 F12 Fe4 N2 P2 -","- C40 H40 F12 Fe4 N2 P2 -","- C160 H160 F48 Fe16 N8 P8 -","4","1","","Okazaki, Masaaki; Suto, Kosei; Kudo, Naotsugu; Takano, Masato; Ozawa, Fumiyuki","Synthesis and Structure of Cubane-Type Tetrairon Clusters Possessing μ3-Isonitrile Ligands. Reductive Coupling of Two Isonitriles on Redox-Responsive Tetrairon Reaction Sites","Organometallics","2012","31","11","4110","","10.1021/om3002944","","x-ray","0.71075","MoKα","","0.0345","0.0319","","","0.0864","0.0879","","","","","","0.993","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078524","11.6939","0.0005","20.5307","0.0009","26.4471","0.0011","90","","90","","90","","6349.5","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H40 Fe4 N2 -","- C40 H40 Fe4 N2 -","- C320 H320 Fe32 N16 -","8","1","","Okazaki, Masaaki; Suto, Kosei; Kudo, Naotsugu; Takano, Masato; Ozawa, Fumiyuki","Synthesis and Structure of Cubane-Type Tetrairon Clusters Possessing μ3-Isonitrile Ligands. Reductive Coupling of Two Isonitriles on Redox-Responsive Tetrairon Reaction Sites","Organometallics","2012","31","11","4110","","10.1021/om3002944","","x-ray","0.71075","MoKα","","0.0313","0.025","","","0.0601","0.0629","","","","","","1.044","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078525","9.797","0.006","10.669","0.007","20.094","0.013","79.27","0.03","79.53","0.03","69.92","0.03","1922","2","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cl2 Fe N4 -","- C42 H48 Cl2 Fe N4 -","- C84 H96 Cl4 Fe2 N8 -","2","1","","Hashimoto, Takayoshi; Urban, Slawomir; Hoshino, Ryoko; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank","Synthesis of Bis(N-heterocyclic carbene) Complexes of Iron(II) and Their Application in Hydrosilylation and Transfer Hydrogenation","Organometallics","2012","31","12","4474","","10.1021/om300298q","","","0.71075","MoKα","","","0.0489","","","","0.105","","","","","","1.002","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078526","9.1173","0.0015","25.346","0.004","32.221","0.006","90","","90","","90","","7446","2","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H88 Cl4 Fe2 N8 O -","- C80 H65 Cl4 Fe2 N8 O -","- C320 H260 Cl16 Fe8 N32 O4 -","4","1","","Hashimoto, Takayoshi; Urban, Slawomir; Hoshino, Ryoko; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank","Synthesis of Bis(N-heterocyclic carbene) Complexes of Iron(II) and Their Application in Hydrosilylation and Transfer Hydrogenation","Organometallics","2012","31","12","4474","","10.1021/om300298q","","","0.71075","MoKα","","","0.0605","","","","0.1238","","","","","","1.007","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078527","20.835","0.007","20.799","0.006","18.861","0.006","90","","107.613","0.004","90","","7790","4","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 Fe N4 -","- C44 H54 Fe N4 -","- C352 H432 Fe8 N32 -","8","1","","Hashimoto, Takayoshi; Urban, Slawomir; Hoshino, Ryoko; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank","Synthesis of Bis(N-heterocyclic carbene) Complexes of Iron(II) and Their Application in Hydrosilylation and Transfer Hydrogenation","Organometallics","2012","31","12","4474","","10.1021/om300298q","","","0.71075","MoKα","","","0.0737","","","","0.1703","","","","","","1.004","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078528","13.5328","0.0008","6.873","0.0004","17.8642","0.0012","90","","104.134","0.006","90","","1611.27","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Fe -","- C20 H26 Fe -","- C80 H104 Fe4 -","4","1","","Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias","Flexibility of an Open Indenyl Ligand in Iron(II) Complexes","Organometallics","2012","31","12","4480","","10.1021/om3003009","","","1.54184","CuKα","","0.0468","0.0369","","","0.0952","0.099","","","","","","1.042","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078529","10.007","0.0002","16.1642","0.0002","10.9946","0.0002","90","","96.813","0.002","90","","1765.87","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Fe O -","- C21 H26 Fe O -","- C84 H104 Fe4 O4 -","4","1","","Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias","Flexibility of an Open Indenyl Ligand in Iron(II) Complexes","Organometallics","2012","31","12","4480","","10.1021/om3003009","","","1.54184","CuKα","","0.0268","0.0254","","","0.0704","0.0709","","","","","","1.113","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078530","12.3722","0.0002","9.2362","0.0002","15.8669","0.0002","90","","97.385","0.002","90","","1798.1","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Fe O -","- C21 H26 Fe O -","- C84 H104 Fe4 O4 -","4","1","","Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias","Flexibility of an Open Indenyl Ligand in Iron(II) Complexes","Organometallics","2012","31","12","4480","","10.1021/om3003009","","","1.54184","CuKα","","0.0357","0.0342","","","0.0876","0.0887","","","","","","1.023","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078531","14.6168","0.0002","8.2424","0.0002","19.4457","0.0004","90","","91.592","0.002","90","","2341.87","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N2 -","- C27 H38 Fe N2 -","- C108 H152 Fe4 N8 -","4","1","","Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias","Flexibility of an Open Indenyl Ligand in Iron(II) Complexes","Organometallics","2012","31","12","4480","","10.1021/om3003009","","","0.71073","MoKα","","0.0297","0.0261","","","0.0652","0.0672","","","","","","1.047","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078532","9.8454","0.0002","15.7886","0.0004","16.69","0.0004","76.568","0.002","85.622","0.002","87.456","0.002","2515.1","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Fe P2 -","- C26 H42 Fe P2 -","- C104 H168 Fe4 P8 -","4","2","","Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias","Flexibility of an Open Indenyl Ligand in Iron(II) Complexes","Organometallics","2012","31","12","4480","","10.1021/om3003009","","","0.71073","MoKα","","0.0582","0.0401","","","0.0817","0.0885","","","","","","1.026","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078533","8.5902","0.0002","9.1456","0.0002","23.3844","0.0006","90","","95.068","0.002","90","","1829.96","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Fe I -","- C20 H26 Fe I -","- C80 H104 Fe4 I4 -","4","1","","Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias","Flexibility of an Open Indenyl Ligand in Iron(II) Complexes","Organometallics","2012","31","12","4480","","10.1021/om3003009","","","1.54184","CuKα","","0.0388","0.0363","","","0.0935","0.0957","","","","","","1.048","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078534","12.2535","0.0002","9.2674","0.0002","15.9496","0.0004","90","","97.815","0.002","90","","1794.38","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Fe -","- C20 H26 Cl Fe -","- C80 H104 Cl4 Fe4 -","4","1","","Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias","Flexibility of an Open Indenyl Ligand in Iron(II) Complexes","Organometallics","2012","31","12","4480","","10.1021/om3003009","","","0.71073","MoKα","","0.052","0.0475","","","0.1173","0.1198","","","","","","1.11","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078535","14.1221","0.0004","9.8383","0.0003","17.0165","0.0005","90","","98.689","0.003","90","","2337.09","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Fe O -","- C28 H34 Fe O -","- C112 H136 Fe4 O4 -","4","1","","Glöckner, Andreas; Bannenberg, Thomas; Ibrom, Kerstin; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.; Tamm, Matthias","Flexibility of an Open Indenyl Ligand in Iron(II) Complexes","Organometallics","2012","31","12","4480","","10.1021/om3003009","","","1.54184","CuKα","","0.0386","0.0321","","","0.0757","0.0789","","","","","","1.062","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078536","16.1402","0.0016","9.6784","0.0007","17.5118","0.0005","90","","97.745","0.005","90","","2710.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Au Cl5 N3 O -","- C23 H29 Au Cl5 N3 O -","- C92 H116 Au4 Cl20 N12 O4 -","4","1","","Muuronen, Mikko; Perea-Buceta, Jesus E.; Nieger, Martin; Patzschke, Michael; Helaja, Juho","Cationic Gold Catalysis with Pyridine-Tethered Au(III) NHC-Carbenes: An Experimental and DFT Computational Study","Organometallics","2012","31","11","4320","","10.1021/om3003027","","","0.71073","MoKα","","0.0441","0.029","","","0.0526","0.0568","","","","","","1.064","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078537","9.563","0.004","11.93","0.005","14.317","0.004","78.75","0.03","71.34","0.02","69.91","0.03","1446.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 Br Cl N P Pt -","- C33 H28 Br Cl N P Pt -","- C66 H56 Br2 Cl2 N2 P2 Pt2 -","2","1","","Crespo, Margarita; Anderson, Craig M.; Kfoury, Nicole; Font-Bardia, Mercè; Calvet, Teresa","Reductive Elimination from Cyclometalated Platinum(IV) Complexes To Form Csp2‒Csp3Bonds and Subsequent Competition between Csp2‒H and Csp3‒H Bond Activation","Organometallics","2012","31","12","4401","","10.1021/om300303a","","","0.71073","MoKα","","0.0687","0.0558","","","0.142","0.148","","","","","","1.09","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078538","10.391","0.004","11.128","0.003","13.005","0.004","78.48","0.02","76.48","0.02","79.07","0.02","1416.4","0.8","105","2","105","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 Br Cl N P Pt -","- C33 H28 Br Cl N P Pt -","- C66 H56 Br2 Cl2 N2 P2 Pt2 -","2","1","","Crespo, Margarita; Anderson, Craig M.; Kfoury, Nicole; Font-Bardia, Mercè; Calvet, Teresa","Reductive Elimination from Cyclometalated Platinum(IV) Complexes To Form Csp2‒Csp3Bonds and Subsequent Competition between Csp2‒H and Csp3‒H Bond Activation","Organometallics","2012","31","12","4401","","10.1021/om300303a","","","0.71073","MoKα","","0.0323","0.0315","","","0.0854","0.086","","","","","","1.106","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078539","10.2067","0.0006","15.2037","0.0009","15.5094","0.0009","99.157","0.003","103.552","0.003","99.353","0.003","2259.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl8 O12 Si8 -","- C24 H48 Cl8 O12 Si8 -","- C48 H96 Cl16 O24 Si16 -","2","1","","Dias Filho, Newton L.; Portugal, Fátima C. M.; Nogueira, J. M. F.; Brandão, Paula; Félix, Vitor; Vaz, Pedro D.; Nunes, Carla D.; Veiros, Luis F.; Brito, Maria J. Villa de; Calhorda, Maria José","An Oligosilsesquioxane Cage Functionalized with Molybdenum(II) Organometallic Fragments","Organometallics","2012","31","12","4495","","10.1021/om3003043","","","0.71073","MoKα","","0.0928","0.0585","","","0.1606","0.1908","","","","","","1.054","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078540","13.7822","0.0004","14.3724","0.0004","20.1608","0.0006","90","","90.656","0.002","90","","3993.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H112 Ga2 N4 O4 Sm -","- C88 H112 Ga2 N4 O4 Sm -","- C176 H224 Ga4 N8 O8 Sm2 -","2","0.5","","Sanden, Tanja; Gamer, Michael T.; Fagin, Anatoly A.; Chudakova, Valentina A.; Konchenko, Sergey N.; Fedushkin, Igor L.; Roesky, Peter W.","Synthesis of Unsupported Ln‒Ga Bonds by Salt Metathesis and Ga‒Ga Bond Reduction","Organometallics","2012","31","11","4331","","10.1021/om300309b","","","0.71073","MoKα","","0.0254","0.0196","","","0.0491","0.0501","","","","","","1.003","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078541","12.7406","0.0007","15.4964","0.0005","24.3631","0.0011","90","","99.393","0.004","90","","4745.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C103 H136 Ga2 N4 O6 Sm -","- C103 H136 Ga2 N4 O6 Sm -","- C206 H272 Ga4 N8 O12 Sm2 -","2","0.5","","Sanden, Tanja; Gamer, Michael T.; Fagin, Anatoly A.; Chudakova, Valentina A.; Konchenko, Sergey N.; Fedushkin, Igor L.; Roesky, Peter W.","Synthesis of Unsupported Ln‒Ga Bonds by Salt Metathesis and Ga‒Ga Bond Reduction","Organometallics","2012","31","11","4331","","10.1021/om300309b","","","0.71073","MoKα","","0.0539","0.0333","","","0.0699","0.0749","","","","","","0.91","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078542","12.611","0.003","15.433","0.003","24.211","0.005","90","","99.49","0.03","90","","4647.6","1.8","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C103 H136 Eu Ga2 N4 O6 -","- C103 H136 Eu Ga2 N4 O6 -","- C206 H272 Eu2 Ga4 N8 O12 -","2","0.5","","Sanden, Tanja; Gamer, Michael T.; Fagin, Anatoly A.; Chudakova, Valentina A.; Konchenko, Sergey N.; Fedushkin, Igor L.; Roesky, Peter W.","Synthesis of Unsupported Ln‒Ga Bonds by Salt Metathesis and Ga‒Ga Bond Reduction","Organometallics","2012","31","11","4331","","10.1021/om300309b","","","0.71073","MoKα","","0.0541","0.0359","","","0.0744","0.0786","","","","","","1.005","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078543","13.6617","0.0005","14.3216","0.0004","20.1983","0.0009","90","","90.575","0.003","90","","3951.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H112 Ga2 N4 O4 Yb -","- C88 H112 Ga2 N4 O4 Yb -","- C176 H224 Ga4 N8 O8 Yb2 -","2","0.5","","Sanden, Tanja; Gamer, Michael T.; Fagin, Anatoly A.; Chudakova, Valentina A.; Konchenko, Sergey N.; Fedushkin, Igor L.; Roesky, Peter W.","Synthesis of Unsupported Ln‒Ga Bonds by Salt Metathesis and Ga‒Ga Bond Reduction","Organometallics","2012","31","11","4331","","10.1021/om300309b","","","0.71073","MoKα","","0.0727","0.0365","","","0.0654","0.0731","","","","","","0.881","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078544","46.0961","0.0015","20.8634","0.0009","25.2675","0.0008","90","","122.319","0.002","90","","20535.8","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H136 Ga2 I N4 O7 Tm -","- C100 H136 Ga2 I N4 O7 Tm -","- C800 H1088 Ga16 I8 N32 O56 Tm8 -","8","1","","Sanden, Tanja; Gamer, Michael T.; Fagin, Anatoly A.; Chudakova, Valentina A.; Konchenko, Sergey N.; Fedushkin, Igor L.; Roesky, Peter W.","Synthesis of Unsupported Ln‒Ga Bonds by Salt Metathesis and Ga‒Ga Bond Reduction","Organometallics","2012","31","11","4331","","10.1021/om300309b","","","0.71073","MoKα","","0.1046","0.0467","","","0.0671","0.0746","","","","","","1.006","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078545","45.875","0.007","20.805","0.003","25.246","0.004","90","","122.187","0.002","90","","20392","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H152 Dy Ga2 I N4 O9 -","- C108 H152 Dy Ga2 I N4 O9 -","- C864 H1216 Dy8 Ga16 I8 N32 O72 -","8","1","","Sanden, Tanja; Gamer, Michael T.; Fagin, Anatoly A.; Chudakova, Valentina A.; Konchenko, Sergey N.; Fedushkin, Igor L.; Roesky, Peter W.","Synthesis of Unsupported Ln‒Ga Bonds by Salt Metathesis and Ga‒Ga Bond Reduction","Organometallics","2012","31","11","4331","","10.1021/om300309b","","","0.71073","MoKα","","0.2018","0.0786","","","0.1247","0.1474","","","","","","0.864","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078546","12.2934","0.0007","32.976","0.0019","17.3876","0.001","90","","107.69","0.001","90","","6715.4","0.7","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl2 Si Zr -","- C40 H38 Cl2 Si Zr -","- C320 H304 Cl16 Si8 Zr8 -","8","2","","Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Churakov, Andrei V.; Chevalier, Reynald","Novel Effective Racemoselective Method for the Synthesis ofansa-Zirconocenes and Its Use for the Preparation ofC2-Symmetric Complexes Based on 2-Methyl-4-aryltetrahydro(s)indacene as Catalysts for Isotactic Propylene Polymerization and Ethylene‒Propylene Copolymerization","Organometallics","2012","31","11","4340","","10.1021/om300311k","","","0.71073","MoKα","","0.0619","0.0403","","","0.0876","0.0949","","","","","","1.018","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078547","18.1387","0.0009","9.1186","0.0005","24.6022","0.0012","90","","95.529","0.001","90","","4050.3","0.4","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 Cl3 N Si Zr -","- C45 H50 Cl3 N Si Zr -","- C180 H200 Cl12 N4 Si4 Zr4 -","4","1","","Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Churakov, Andrei V.; Chevalier, Reynald","Novel Effective Racemoselective Method for the Synthesis ofansa-Zirconocenes and Its Use for the Preparation ofC2-Symmetric Complexes Based on 2-Methyl-4-aryltetrahydro(s)indacene as Catalysts for Isotactic Propylene Polymerization and Ethylene‒Propylene Copolymerization","Organometallics","2012","31","11","4340","","10.1021/om300311k","","","0.71073","MoKα","","0.0816","0.0531","","","0.1383","0.1497","","","","","","1.076","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078548","11.4554","0.001","12.7418","0.0011","23.037","0.002","98.8679","0.0012","96.8074","0.0012","112.378","0.0011","3013.8","0.5","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H54 Cl4 F3 Ir O6 Os P4 S -","- C58.5 H51 Cl F3 Ir O6 Os P4 S -","- C117 H102 Cl2 F6 Ir2 O12 Os2 P8 S2 -","2","1","","MacDougall, Tiffany J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Diverse Coordination Modes and Transformations of Allenes at Adjacent Iridium/Osmium Centers","Organometallics","2012","31","12","4516","","10.1021/om300316h","","","0.71073","MoKα","","0.0621","0.0452","","","0.0915","0.0971","","","","","","1.048","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078549","12.7514","0.0005","13.2551","0.0005","17.0522","0.0007","79.0395","0.0005","78.3979","0.0004","68.9294","0.0004","2612.54","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H53 B F4 Ir O3.5 Os P4 -","- C58 H53 B F4 Ir O3.5 Os P4 -","- C116 H106 B2 F8 Ir2 O7 Os2 P8 -","2","1","","MacDougall, Tiffany J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Diverse Coordination Modes and Transformations of Allenes at Adjacent Iridium/Osmium Centers","Organometallics","2012","31","12","4516","","10.1021/om300316h","","","0.71073","MoKα","","0.0434","0.0289","","","0.0539","0.0619","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078550","16.65","0.0005","18.0975","0.0006","19.5586","0.0006","90","","90.0824","0.0004","90","","5893.5","0.3","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C59 H48 Cl2 F5 Ir O7 Os P4 S -","- C59 H48 Cl2 F5 Ir O7 Os P4 S -","- C236 H192 Cl8 F20 Ir4 O28 Os4 P16 S4 -","4","1","","MacDougall, Tiffany J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Diverse Coordination Modes and Transformations of Allenes at Adjacent Iridium/Osmium Centers","Organometallics","2012","31","12","4516","","10.1021/om300316h","","","0.71073","MoKα","","0.0238","0.0204","","","0.0546","0.0564","","","","","","1.041","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078551","30.592","0.0015","15.388","0.0009","18.693","0.0011","90","","117.843","0.002","90","","7781","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 N2 P -","- C46 H48 N2 P -","- C368 H384 N16 P8 -","8","1","","Bates, Joshua I.; Gates, Derek P.","4-Phosphino-Substituted N-Heterocyclic Carbenes (NHCs) from the Abnormal Reaction of NHCs with Phosphaalkenes","Organometallics","2012","31","12","4529","","10.1021/om3003174","","","0.71069","MoKα","","0.1075","0.0506","","","0.1163","0.1401","","","","","","1.016","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078552","30.427","0.004","14.9796","0.0019","18.825","0.002","90","","117.373","0.005","90","","7619.4","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H47 N3 P -","- C45 H47 N3 P -","- C360 H376 N24 P8 -","8","1","","Bates, Joshua I.; Gates, Derek P.","4-Phosphino-Substituted N-Heterocyclic Carbenes (NHCs) from the Abnormal Reaction of NHCs with Phosphaalkenes","Organometallics","2012","31","12","4529","","10.1021/om3003174","","","0.71073","MoKα","","0.2112","0.0673","","","0.1232","0.1673","","","","","","0.972","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078553","28.9422","0.0019","15.8054","0.0011","19.7371","0.0013","90","","118.977","0.002","90","","7898.3","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H47 F2 N2 O0.5 P -","- C45 H47 F2 N2 O0.5 P -","- C360 H376 F16 N16 O4 P8 -","8","1","","Bates, Joshua I.; Gates, Derek P.","4-Phosphino-Substituted N-Heterocyclic Carbenes (NHCs) from the Abnormal Reaction of NHCs with Phosphaalkenes","Organometallics","2012","31","12","4529","","10.1021/om3003174","","","0.71069","MoKα","","0.1793","0.0644","","","0.1222","0.1561","","","","","","0.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078554","15.9409","0.0013","16.121","0.0012","20.8548","0.0015","89.941","0.004","68.341","0.005","76.55","0.004","4823","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H120 Cl8 Ir2 N4 P2 -","- C105 H120 Cl8 Ir2 N4 P2 -","- C210 H240 Cl16 Ir4 N8 P4 -","2","1","","Bates, Joshua I.; Gates, Derek P.","4-Phosphino-Substituted N-Heterocyclic Carbenes (NHCs) from the Abnormal Reaction of NHCs with Phosphaalkenes","Organometallics","2012","31","12","4529","","10.1021/om3003174","","","0.71073","MoKα","","0.0635","0.0468","","","0.1254","0.1329","","","","","","1.076","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078555","29.1592","0.0009","18.3368","0.0006","17.0683","0.0005","90","","90","","90","","9126.2","0.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C52 H53 Cl Ir N2 O2 P -","- C52 H53 Cl Ir N2 O2 P -","- C416 H424 Cl8 Ir8 N16 O16 P8 -","8","1","","Bates, Joshua I.; Gates, Derek P.","4-Phosphino-Substituted N-Heterocyclic Carbenes (NHCs) from the Abnormal Reaction of NHCs with Phosphaalkenes","Organometallics","2012","31","12","4529","","10.1021/om3003174","","","0.71073","MoKα","","0.0392","0.0234","","","0.0465","0.0511","","","","","","1.011","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078556","12.4467","0.0009","18.8488","0.0015","20.7638","0.0016","90","","105.14","0.002","90","","4702.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H74 Fe2 N6 -","- C46 H74 Fe2 N6 -","- C184 H296 Fe8 N24 -","4","1","","Zhang, Qiang; Xiang, Li; Deng, Liang","Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity","Organometallics","2012","31","12","4537","","10.1021/om300319n","","","0.71073","MoKα","","0.0884","0.045","","","0.1009","0.1118","","","","","","0.86","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078557","17.8374","0.0015","20.5763","0.0017","25.961","0.002","90","","90","","90","","9528.4","1.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H74 F2 Fe2 N6 -","- C46 H74 F2 Fe2 N6 -","- C368 H592 F16 Fe16 N48 -","8","1","","Zhang, Qiang; Xiang, Li; Deng, Liang","Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity","Organometallics","2012","31","12","4537","","10.1021/om300319n","","","0.71073","MoKα","","0.0426","0.0333","","","0.0866","0.0944","","","","","","1.047","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078558","23.11","0.005","10.612","0.002","22.47","0.004","90","","107.331","0.003","90","","5260.4","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H81 B F5 Fe2 N6 -","- C49 H81 B F5 Fe2 N6 -","- C196 H324 B4 F20 Fe8 N24 -","4","1","","Zhang, Qiang; Xiang, Li; Deng, Liang","Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity","Organometallics","2012","31","12","4537","","10.1021/om300319n","","","0.71073","MoKα","","0.1158","0.0699","","","0.1748","0.2048","","","","","","0.941","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078559","19.45","0.005","10.598","0.003","25.25","0.007","90","","112.65","","90","","4803","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H76 Cl2 Fe2 N6 -","- C46 H74 Cl2 Fe2 N6 -","- C184 H296 Cl8 Fe8 N24 -","4","1","","Zhang, Qiang; Xiang, Li; Deng, Liang","Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity","Organometallics","2012","31","12","4537","","10.1021/om300319n","","","0.71073","MoKα","","0.0396","0.0313","","","0.0854","0.0937","","","","","","1.071","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078560","9.254","0.0008","20.2564","0.0016","12.4305","0.001","90","","97.286","0.001","90","","2311.3","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H74 Cl Fe2 N6 -","- C46 H74 Cl Fe2 N6 -","- C92 H148 Cl2 Fe4 N12 -","2","0.5","","Zhang, Qiang; Xiang, Li; Deng, Liang","Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity","Organometallics","2012","31","12","4537","","10.1021/om300319n","","","0.71073","MoKα","","0.0877","0.079","","","0.2147","0.2196","","","","","","1.219","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078561","13.87","0.001","10.9081","0.0008","12.6168","0.0009","90","","90","","90","","1908.9","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H24 B10 Fe -","- C14 H24 B10 Fe -","- C56 H96 B40 Fe4 -","4","0.5","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0445","0.0379","","","0.1048","0.1154","","","","","","1.057","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078562","11.3004","0.0011","9.4366","0.0009","23.522","0.003","90","","107.771","0.002","90","","2388.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B10 Fe -","- C21 H31 B10 Fe -","- C84 H124 B40 Fe4 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0761","0.0517","","","0.1342","0.1542","","","","","","1.036","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078563","29.039","0.008","29.62","0.008","8.106","0.002","90","","90","","90","","6972","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H19 B10 Cl Fe -","- C12 H19 B10 Cl Fe -","- C192 H304 B160 Cl16 Fe16 -","16","1","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0395","0.038","","","0.0997","0.1015","","","","","","1.056","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078564","13.809","0.0008","13.5992","0.0008","19.0054","0.001","90","","90","","90","","3569","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H19 B10 Br Fe -","- C12 H19 B10 Br Fe -","- C96 H152 B80 Br8 Fe8 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0685","0.0446","","","0.1051","0.1189","","","","","","1.012","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078565","20.2299","0.0016","11.6441","0.0009","7.4979","0.0006","90","","90","","90","","1766.2","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H22 B10 Fe -","- C13 H22 B10 Fe -","- C52 H88 B40 Fe4 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0511","0.0418","","","0.0995","0.1058","","","","","","1.065","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078566","15.6213","0.0011","11.1168","0.0008","14.7589","0.001","90","","107.733","0.001","90","","2441.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 B10 Cl Fe2 -","- C22 H26 B10 Cl Fe2 -","- C88 H104 B40 Cl4 Fe8 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.059","0.0437","","","0.1137","0.1234","","","","","","1.024","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078567","13.1972","0.0007","10.2905","0.0005","21.7022","0.0011","90","","95.0332","0.0011","90","","2935.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H34.5 Cl3 Ir O1.5 P S2 -","- C27.5 H34.5 Cl3 Ir O1.5 P S2 -","- C110 H138 Cl12 Ir4 O6 P4 S8 -","4","1","","Lin, Cheng-Huei; Chiu, Yuan-Chieh; Chi, Yun; Tao, Yu-Tai; Liao, Liang-Sheng; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Mechanistic Investigation of Improved Syntheses of Iridium(III)-Based OLED Phosphors","Organometallics","2012","31","11","4349","","10.1021/om300325y","","","0.71073","MoKα","","0.0372","0.0289","","","0.0701","0.0742","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078568","10.661","0.0008","13.0231","0.001","21.6671","0.0016","90","","90","","90","","3008.2","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Cl2 F2 Ir N P S -","- C33 H29 Cl2 F2 Ir N P S -","- C132 H116 Cl8 F8 Ir4 N4 P4 S4 -","4","1","","Lin, Cheng-Huei; Chiu, Yuan-Chieh; Chi, Yun; Tao, Yu-Tai; Liao, Liang-Sheng; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Mechanistic Investigation of Improved Syntheses of Iridium(III)-Based OLED Phosphors","Organometallics","2012","31","11","4349","","10.1021/om300325y","","","0.71073","MoKα","","0.0778","0.0671","","","0.1508","0.158","","","","","","1.043","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078569","43.3581","0.0017","8.8949","0.0003","19.2344","0.0007","90","","103.151","0.002","90","","7223.5","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H82 Cl4 Ir2 P4 S2 -","- C84 H82 Cl4 Ir2 P4 S2 -","- C336 H328 Cl16 Ir8 P16 S8 -","4","0.5","","Lin, Cheng-Huei; Chiu, Yuan-Chieh; Chi, Yun; Tao, Yu-Tai; Liao, Liang-Sheng; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Mechanistic Investigation of Improved Syntheses of Iridium(III)-Based OLED Phosphors","Organometallics","2012","31","11","4349","","10.1021/om300325y","","","0.71073","MoKα","","0.0278","0.0245","","","0.055","0.0625","","","","","","1.12","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078570","12.4793","0.0004","20.8875","0.0007","15.9283","0.0005","90","","109.143","0.001","90","","3922.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H38 Cl F3 Ir N3 P2 -","- C47 H38 Cl F3 Ir N3 P2 -","- C188 H152 Cl4 F12 Ir4 N12 P8 -","4","1","","Lin, Cheng-Huei; Chiu, Yuan-Chieh; Chi, Yun; Tao, Yu-Tai; Liao, Liang-Sheng; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Mechanistic Investigation of Improved Syntheses of Iridium(III)-Based OLED Phosphors","Organometallics","2012","31","11","4349","","10.1021/om300325y","","","0.71073","MoKα","","0.0352","0.0276","","","0.0568","0.0595","","","","","","1.034","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078571","10.534","0.006","9.49","0.006","13.066","0.008","90","","95.457","0.01","90","","1300.3","1.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 B Cl2 N2 -","- C27 H37 B Cl2 N2 -","- C54 H74 B2 Cl4 N4 -","2","1","","Xie, Liang; Hu, Hongfan; Cui, Chunming","Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes","Organometallics","2012","31","12","4405","","10.1021/om300337r","","","0.71073","MoKα","","0.0537","0.0394","","","0.0776","0.0802","","","","","","0.83","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078572","8.85","0.003","11.175","0.004","13.294","0.005","95.356","0.009","91.103","0.005","101.179","0.006","1283.2","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 B Cl2 N2 -","- C27 H37 B Cl2 N2 -","- C54 H74 B2 Cl4 N4 -","2","1","","Xie, Liang; Hu, Hongfan; Cui, Chunming","Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes","Organometallics","2012","31","12","4405","","10.1021/om300337r","","","0.71073","MoKα","","0.0522","0.0369","","","0.0859","0.0909","","","","","","0.982","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078573","13.048","0.004","9.249","0.003","20.362","0.006","90","","90","","90","","2457.3","1.3","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H36 B Cl N2 -","- C27 H36 B Cl N2 -","- C108 H144 B4 Cl4 N8 -","4","0.5","","Xie, Liang; Hu, Hongfan; Cui, Chunming","Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes","Organometallics","2012","31","12","4405","","10.1021/om300337r","","","0.71073","MoKα","","0.0905","0.0874","","","0.1613","0.1625","","","","","","1.234","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078574","10.799","0.004","17.115","0.006","18.214","0.007","90","","99.525","0.005","90","","3320","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 B N3 Si2 -","- C33 H54 B N3 Si2 -","- C132 H216 B4 N12 Si8 -","4","1","","Xie, Liang; Hu, Hongfan; Cui, Chunming","Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes","Organometallics","2012","31","12","4405","","10.1021/om300337r","","","0.71073","MoKα","","0.1057","0.0697","","","0.1537","0.1738","","","","","","1.146","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078575","8.828","0.003","41.132","0.013","8.417","0.003","90","","106.977","0.004","90","","2923.1","1.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 B Cl N3 -","- C31 H47 B Cl N3 -","- C124 H188 B4 Cl4 N12 -","4","1","","Xie, Liang; Hu, Hongfan; Cui, Chunming","Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes","Organometallics","2012","31","12","4405","","10.1021/om300337r","","","0.71073","MoKα","","0.0546","0.0436","","","0.1013","0.1068","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078576","13.1907","0.0007","12.8417","0.0007","14.1613","0.0008","90","","99.119","0.001","90","","2368.5","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H49 Cl2 F12 Ir O P2 Sb2 -","- C42 H49 Cl2 F12 Ir O P2 Sb2 -","- C84 H98 Cl4 F24 Ir2 O2 P4 Sb4 -","2","1","","Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Catalytic Diels‒Alder Reactions with Enones As Dienophiles","Organometallics","2012","31","12","4551","","10.1021/om300346s","","","0.71073","MoKα","","0.0233","0.023","","","0.0592","0.0594","","","","","","1.037","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078577","13.132","0.004","13.166","0.004","14.039","0.005","90","","96.429","0.005","90","","2412","1.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H51 Cl2 F12 Ir O P2 Sb2 -","- C43 H51 Cl2 F12 Ir O P2 Sb2 -","- C86 H102 Cl4 F24 Ir2 O2 P4 Sb4 -","2","1","","Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Catalytic Diels‒Alder Reactions with Enones As Dienophiles","Organometallics","2012","31","12","4551","","10.1021/om300346s","","","0.71073","MoKα","","0.1221","0.0733","","","0.1537","0.1758","","","","","","1.049","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078578","30.301","0.0011","8.902","0.0004","15.8361","0.0004","90","","90","","90","","4271.6","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 Au Cl N2 -","- C22 H28 Au Cl N2 -","- C176 H224 Au8 Cl8 N16 -","8","1","","Dunsford, Jay J.; Cavell, Kingsley J.; Kariuki, Benson M.","Gold(I) Complexes Bearing Sterically Imposing, Saturated Six- and Seven-Membered Expanded Ring N-Heterocyclic Carbene Ligands","Organometallics","2012","31","11","4118","","10.1021/om300351s","","","0.71073","MoKα","","0.0847","0.0582","","","0.1068","0.1169","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078579","10.7004","0.0003","16.5866","0.0004","17.7255","0.0004","90","","90","","90","","3145.98","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Au Cl4 N2 -","- C29 H41 Au Cl4 N2 -","- C116 H164 Au4 Cl16 N8 -","4","1","","Dunsford, Jay J.; Cavell, Kingsley J.; Kariuki, Benson M.","Gold(I) Complexes Bearing Sterically Imposing, Saturated Six- and Seven-Membered Expanded Ring N-Heterocyclic Carbene Ligands","Organometallics","2012","31","11","4118","","10.1021/om300351s","","","0.71073","MoKα","","0.0593","0.0463","","","0.0985","0.1068","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078580","9.4715","0.0002","16.9868","0.0005","20.2919","0.0005","90","","94.594","0.002","90","","3254.28","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 Au Cl4 N2 -","- C30 H43 Au Cl4 N2 -","- C120 H172 Au4 Cl16 N8 -","4","1","","Dunsford, Jay J.; Cavell, Kingsley J.; Kariuki, Benson M.","Gold(I) Complexes Bearing Sterically Imposing, Saturated Six- and Seven-Membered Expanded Ring N-Heterocyclic Carbene Ligands","Organometallics","2012","31","11","4118","","10.1021/om300351s","","","0.71073","MoKα","","0.0671","0.0454","","","0.1016","0.1117","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078581","14.2884","0.0011","11.9763","0.0011","31.944","0.003","90","","101.585","0.002","90","","5355","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Br4 Cl9 N7 Pd2 -","- C34 H48 Br4 Cl9 N7 Pd2 -","- C136 H192 Br16 Cl36 N28 Pd8 -","4","1","","Guo, Shuai; Huynh, Han Vinh","Dipalladium Complexes with Triazolidin-Diylidene Bridges and Their Catalytic Activities","Organometallics","2012","31","12","4565","","10.1021/om3003625","","","0.71073","MoKα","","0.1176","0.0635","","","0.1493","0.1706","","","","","","1.031","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078582","9.1677","0.0006","15.6062","0.0009","31.6509","0.0017","90","","90","","90","","4528.4","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H57 N7 O8 Pd2 -","- C39 H57 N7 O8 Pd2 -","- C156 H228 N28 O32 Pd8 -","4","1","","Guo, Shuai; Huynh, Han Vinh","Dipalladium Complexes with Triazolidin-Diylidene Bridges and Their Catalytic Activities","Organometallics","2012","31","12","4565","","10.1021/om3003625","","","0.71073","MoKα","","0.1135","0.0909","","","0.2202","0.2352","","","","","","1.108","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078583","14.4073","0.0017","26.565","0.003","13.7018","0.0017","90","","104.89","0.003","90","","5068","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 F12 N8 O8 Pd2 -","- C41 H48 F12 N8 O8 Pd2 -","- C164 H192 F48 N32 O32 Pd8 -","4","1","","Guo, Shuai; Huynh, Han Vinh","Dipalladium Complexes with Triazolidin-Diylidene Bridges and Their Catalytic Activities","Organometallics","2012","31","12","4565","","10.1021/om3003625","","","0.71073","MoKα","","0.1131","0.0882","","","0.2222","0.2418","","","","","","1.039","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078584","16.9882","0.0009","9.9514","0.0005","18.5623","0.001","90","","90","","90","","3138.1","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H42 N4 O4 Pd -","- C30 H42 N4 O4 Pd -","- C120 H168 N16 O16 Pd4 -","4","0.5","","Guo, Shuai; Huynh, Han Vinh","Dipalladium Complexes with Triazolidin-Diylidene Bridges and Their Catalytic Activities","Organometallics","2012","31","12","4565","","10.1021/om3003625","","","0.71073","MoKα","","0.0784","0.0465","","","0.0949","0.1062","","","","","","1.047","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078585","13.419","0.003","15.713","0.003","20.572","0.004","90","","101.572","0.003","90","","4249.5","1.5","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H62 N4 O P Y -","- C45 H62 N4 O P Y -","- C180 H248 N16 O4 P4 Y4 -","4","1","","Lu, Erli; Chen, Yaofeng; Zhou, Jiliang; Leng, Xuebing","C‒P or C‒H Bond Cleavage of Phosphine Oxides Mediated by an Yttrium Hydride","Organometallics","2012","31","12","4574","","10.1021/om300369f","","","0.71073","MoKα","","0.1075","0.0618","","","0.1319","0.1508","","","","","","1.004","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078586","11.2506","0.0013","19.462","0.002","17.509","0.002","90","","91.841","0.002","90","","3831.8","0.7","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 N4 O P Y -","- C36 H60 N4 O P Y -","- C144 H240 N16 O4 P4 Y4 -","4","1","","Lu, Erli; Chen, Yaofeng; Zhou, Jiliang; Leng, Xuebing","C‒P or C‒H Bond Cleavage of Phosphine Oxides Mediated by an Yttrium Hydride","Organometallics","2012","31","12","4574","","10.1021/om300369f","","","0.71073","MoKα","","0.0691","0.0369","","","0.0859","0.0967","","","","","","0.994","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078587","11.3048","0.0016","19.869","0.003","20.007","0.003","90","","102.581","0.002","90","","4386","1.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H64 N4 O P Y -","- C46 H64 N4 O P Y -","- C184 H256 N16 O4 P4 Y4 -","4","1","","Lu, Erli; Chen, Yaofeng; Zhou, Jiliang; Leng, Xuebing","C‒P or C‒H Bond Cleavage of Phosphine Oxides Mediated by an Yttrium Hydride","Organometallics","2012","31","12","4574","","10.1021/om300369f","","","0.71073","MoKα","","0.1225","0.0675","","","0.151","0.1772","","","","","","1.011","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078588","19.4796","0.0015","21.5546","0.0016","21.3164","0.0016","90","","108.925","0.001","90","","8466.4","1.1","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H134 N8 S Y2 -","- C86 H134 N8 S Y2 -","- C344 H536 N32 S4 Y8 -","4","1","","Lu, Erli; Chen, Yaofeng; Zhou, Jiliang; Leng, Xuebing","C‒P or C‒H Bond Cleavage of Phosphine Oxides Mediated by an Yttrium Hydride","Organometallics","2012","31","12","4574","","10.1021/om300369f","","","0.71073","MoKα","","0.117","0.0576","","","0.1229","0.1453","","","","","","0.972","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078589","12.5027","0.0012","19.0274","0.0017","20.993","0.002","102.59","0.001","106.981","0.002","99.907","0.002","4510.4","0.7","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H67 N3 O0 P Si2 Y -","- C44 H67 N3 P Si2 Y -","- C176 H268 N12 P4 Si8 Y4 -","4","2","","Jian, Zhongbao; Hangaly, Noa K.; Rong, Weifeng; Mou, Zehuai; Liu, Dongtao; Li, Shihui; Trifonov, Alexander A.; Sundermeyer, Jörg; Cui, Dongmei","Yttrium Hydride Complex Bearing CpPN/Amidinate Heteroleptic Ligands: Synthesis, Structure, and Reactivity","Organometallics","2012","31","12","4579","","10.1021/om3003703","","","0.71073","MoKα","","0.155","0.0697","","","0.1505","0.1878","","","","","","1.033","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078590","17.814","0.002","19.028","0.003","19.232","0.004","109.194","0.003","111.367","0.003","105.884","0.002","5127.6","1.5","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H114 N6 P2 Si2 Y2 -","- C80 H114 N6 P2 Si2 Y2 -","- C160 H228 N12 P4 Si4 Y4 -","2","1","","Jian, Zhongbao; Hangaly, Noa K.; Rong, Weifeng; Mou, Zehuai; Liu, Dongtao; Li, Shihui; Trifonov, Alexander A.; Sundermeyer, Jörg; Cui, Dongmei","Yttrium Hydride Complex Bearing CpPN/Amidinate Heteroleptic Ligands: Synthesis, Structure, and Reactivity","Organometallics","2012","31","12","4579","","10.1021/om3003703","","","0.71073","MoKα","","0.1464","0.0662","","","0.151","0.1631","","","","","","1.008","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078591","10.9296","0.0009","13.5103","0.0011","22.4318","0.0017","72.644","0.001","86.368","0.002","68.547","0.001","2938.6","0.4","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H77 N7 P Si Y -","- C64 H77 N7 P Si Y -","- C128 H154 N14 P2 Si2 Y2 -","2","1","","Jian, Zhongbao; Hangaly, Noa K.; Rong, Weifeng; Mou, Zehuai; Liu, Dongtao; Li, Shihui; Trifonov, Alexander A.; Sundermeyer, Jörg; Cui, Dongmei","Yttrium Hydride Complex Bearing CpPN/Amidinate Heteroleptic Ligands: Synthesis, Structure, and Reactivity","Organometallics","2012","31","12","4579","","10.1021/om3003703","","","0.71073","MoKα","","0.107","0.058","","","0.1132","0.1303","","","","","","1.019","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078592","12.1425","0.0005","24.8422","0.001","15.711","0.0006","90","","96.511","0.001","90","","4708.6","0.3","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H71 N5 P Si Y -","- C47 H71 N5 P Si Y -","- C188 H284 N20 P4 Si4 Y4 -","4","1","","Jian, Zhongbao; Hangaly, Noa K.; Rong, Weifeng; Mou, Zehuai; Liu, Dongtao; Li, Shihui; Trifonov, Alexander A.; Sundermeyer, Jörg; Cui, Dongmei","Yttrium Hydride Complex Bearing CpPN/Amidinate Heteroleptic Ligands: Synthesis, Structure, and Reactivity","Organometallics","2012","31","12","4579","","10.1021/om3003703","","","0.71073","MoKα","","0.0864","0.0455","","","0.0856","0.098","","","","","","0.987","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078593","16.6515","0.0018","17.2291","0.0019","19.625","0.002","90","","106.901","0.002","90","","5387","1","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H77 N7 P Si Y -","- C54 H77 N7 P Si Y -","- C216 H308 N28 P4 Si4 Y4 -","4","1","","Jian, Zhongbao; Hangaly, Noa K.; Rong, Weifeng; Mou, Zehuai; Liu, Dongtao; Li, Shihui; Trifonov, Alexander A.; Sundermeyer, Jörg; Cui, Dongmei","Yttrium Hydride Complex Bearing CpPN/Amidinate Heteroleptic Ligands: Synthesis, Structure, and Reactivity","Organometallics","2012","31","12","4579","","10.1021/om3003703","","","0.71073","MoKα","","0.1547","0.0716","","","0.1703","0.2019","","","","","","1.024","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078594","13.277","0.004","13.065","0.003","20.035","0.005","90","","128.322","0.017","90","","2726.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl4 N2 Pt -","- C26 H30 Cl4 N2 Pt -","- C104 H120 Cl16 N8 Pt4 -","4","1","","Calvet, Teresa; Crespo, Margarita; Font-Bardía, Mercè; Jansat, Susanna; Martínez, Manuel","Kinetico-Mechanistic Studies on Intramolecular C‒X Bond Activation (X = Br, Cl) of Amino-Imino Ligands on Pt(II) Compounds. Prevalence of a Concerted Mechanism in Nonpolar, Polar, and Ionic Liquid Media","Organometallics","2012","31","11","4367","","10.1021/om300374f","","","0.71073","MoKα","","0.0359","0.033","","","0.0903","0.0939","","","","","","1.068","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078595","8.384","0.003","9.073","0.003","17.254","0.004","89.19","0.01","86.06","0.02","72.47","0.01","1248.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N2 P Si -","- C27 H33 N2 P Si -","- C54 H66 N4 P2 Si2 -","2","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar","Facile Access to the Functionalized N-Donor Stabilized Silylenes PhC(NtBu)2SiX (X = PPh2, NPh2, NCy2, NiPr2, NMe2, N(SiMe3)2, OtBu)","Organometallics","2012","31","12","4588","","10.1021/om3003762","","","0.71073","MoKα","","0.0333","0.0311","","","0.0828","0.0841","","","","","","1.061","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078596","15.04","0.004","11.542","0.004","16.516","0.006","90","","111.7","0.02","90","","2663.9","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 N3 Si -","- C27 H45 N3 Si -","- C108 H180 N12 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar","Facile Access to the Functionalized N-Donor Stabilized Silylenes PhC(NtBu)2SiX (X = PPh2, NPh2, NCy2, NiPr2, NMe2, N(SiMe3)2, OtBu)","Organometallics","2012","31","12","4588","","10.1021/om3003762","","","0.71073","MoKα","","0.0493","0.0379","","","0.0876","0.0921","","","","","","1.043","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078597","27.82","0.002","8.447","0.003","19.099","0.002","90","","99.35","0.02","90","","4428.6","1.7","101","2","101","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H37 N3 Si -","- C21 H37 N3 Si -","- C168 H296 N24 Si8 -","8","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar","Facile Access to the Functionalized N-Donor Stabilized Silylenes PhC(NtBu)2SiX (X = PPh2, NPh2, NCy2, NiPr2, NMe2, N(SiMe3)2, OtBu)","Organometallics","2012","31","12","4588","","10.1021/om3003762","","","0.71073","MoKα","","0.0621","0.0416","","","0.0936","0.1002","","","","","","1.047","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078598","18.8621","0.0004","13.8228","0.0003","18.8523","0.0005","90","","113.389","0.003","90","","4511.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H100 Cl14 N4 Rh2 -","- C84 H100 Cl14 N4 Rh2 -","- C168 H200 Cl28 N8 Rh4 -","2","0.5","","Prades, Amparo; Peris, Eduardo; Alcarazo, Manuel","Pyracenebis(imidazolylidene): A New Janus-Type Biscarbene and Its Coordination to Rhodium and Iridium","Organometallics","2012","31","12","4623","","10.1021/om3003834","","","0.71073","MoKα","","0.1127","0.0619","","","0.142","0.176","","","","","","1.06","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078599","13.1929","0.0013","17.5573","0.0018","19.868","0.002","90","","105.178","0.001","90","","4441.5","0.8","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 Ge4 -","- C54 H46 Ge4 -","- C216 H184 Ge16 -","4","1","","Samanamu, Christian R.; Amadoruge, Monika L.; Schrick, Aaron C.; Chen, Chao; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Synthetic, Structural, and Physical Investigations of the Large Linear and Branched Oligogermanes Ph3GeGePh2GePh2GePh2H, Ge5Ph12, and (Ph3Ge)4Ge","Organometallics","2012","31","11","4374","","10.1021/om300385n","","","0.71073","MoKα","","0.054","0.034","","","0.0748","0.0841","","","","","","1.002","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078600","14.3026","0.0012","19.1586","0.0017","21.3983","0.0018","90","","90","","90","","5863.5","0.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C72 H60 Ge5 -","- C72 H60 Ge5 -","- C288 H240 Ge20 -","4","1","","Samanamu, Christian R.; Amadoruge, Monika L.; Schrick, Aaron C.; Chen, Chao; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Synthetic, Structural, and Physical Investigations of the Large Linear and Branched Oligogermanes Ph3GeGePh2GePh2GePh2H, Ge5Ph12, and (Ph3Ge)4Ge","Organometallics","2012","31","11","4374","","10.1021/om300385n","","","0.71073","MoKα","","0.035","0.032","","","0.0847","0.0861","","","","","","1.06","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078601","13.321","0.0006","49.968","0.002","18.4106","0.0008","90","","90.028","0.002","90","","12254.5","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C150 H134 Ge10 -","- C150 H134 Ge10 -","- C600 H536 Ge40 -","4","1","","Samanamu, Christian R.; Amadoruge, Monika L.; Schrick, Aaron C.; Chen, Chao; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Synthetic, Structural, and Physical Investigations of the Large Linear and Branched Oligogermanes Ph3GeGePh2GePh2GePh2H, Ge5Ph12, and (Ph3Ge)4Ge","Organometallics","2012","31","11","4374","","10.1021/om300385n","","","0.71073","MoKα","","0.0801","0.0482","","","0.1068","0.1256","","","","","","1.033","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078602","9.4123","0.0019","9.4402","0.0019","9.779","0.002","92.021","0.003","108.696","0.003","98.341","0.003","811.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 Ge N -","- C20 H17 Ge N -","- C40 H34 Ge2 N2 -","2","1","","Samanamu, Christian R.; Amadoruge, Monika L.; Schrick, Aaron C.; Chen, Chao; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Synthetic, Structural, and Physical Investigations of the Large Linear and Branched Oligogermanes Ph3GeGePh2GePh2GePh2H, Ge5Ph12, and (Ph3Ge)4Ge","Organometallics","2012","31","11","4374","","10.1021/om300385n","","","0.71073","MoKα","","0.0831","0.0545","","","0.1102","0.1249","","","","","","1","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078603","18.233","0.002","21.495","0.003","24.119","0.003","90","","90","","90","","9453","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H80 Co6 N4 Ni22 O36 -","- C74 H80 Co6 N4 Ni22 O36 -","- C296 H320 Co24 N16 Ni88 O144 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.068","0.042","","","0.0991","0.1171","","","","","","1.075","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078604","14.578","0.003","14.582","0.003","15.213","0.004","62.964","0.003","63.929","0.003","87.386","0.003","2538.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H84 Co6 N10 Ni22 O36 -","- C74 H84 Co6 N10 Ni22 O36 -","- C74 H84 Co6 N10 Ni22 O36 -","1","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.1151","0.0885","","","0.2461","0.2653","","","","","","1.061","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078605","12.0473","0.0012","12.2173","0.0012","18.4801","0.0018","90","","90","","90","","2720","0.5","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C41.42 H60 Co N3 Ni9 O15.42 -","- C41.42 H60 Co N3 Ni9 O15.42 -","- C82.84 H120 Co2 N6 Ni18 O30.84 -","2","0.25","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.0442","0.0407","","","0.1011","0.1027","","","","","","1.225","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078606","11.997","0.0011","12.2347","0.0011","18.442","0.0017","90","","90","","90","","2706.9","0.4","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C41.29 H60 Co N3 Ni9 O15.3 -","- C41.282 H61 Co N3 Ni9 O15.282 -","- C82.564 H122 Co2 N6 Ni18 O30.564 -","2","0.25","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.0409","0.033","","","0.0859","0.0917","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078607","11.996","0.0016","12.2702","0.0016","18.406","0.002","90","","90","","90","","2709.2","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C41.17 H60 Co N3 Ni9 O15.16 -","- C41.182 H60 Co N3 Ni9 O15.182 -","- C82.364 H120 Co2 N6 Ni18 O30.364 -","2","0.25","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.0496","0.0458","","","0.1276","0.1309","","","","","","1.179","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078608","11.9946","0.0013","12.2638","0.0014","18.415","0.002","90","","90","","90","","2708.8","0.5","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C41.19 H60 Co N3 Ni9 O15.18 -","- C41.176 H60 Co N3 Ni9 O15.176 -","- C82.352 H120 Co2 N6 Ni18 O30.352 -","2","0.25","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.0631","0.0512","","","0.1429","0.1502","","","","","","1.156","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078609","8.1706","0.0005","12.2862","0.0007","23.6896","0.0012","90","","90","","90","","2378.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N O3 S -","- C25 H33 N O3 S -","- C100 H132 N4 O12 S4 -","4","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0558","0.0489","","","0.122","0.1265","","","","","","1.039","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078610","12.2812","0.0012","13.3467","0.0014","15.9608","0.0017","77.98","0.002","74.061","0.002","89.87","0.003","2456.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Br N O3 S -","- C24 H30 Br N O3 S -","- C96 H120 Br4 N4 O12 S4 -","4","2","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.1162","0.0674","","","0.1832","0.202","","","","","","1.014","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078611","9.1187","0.0007","20.3918","0.0015","23.2891","0.0018","90","","90","","90","","4330.5","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C176 H232 N8 O24 S8 -","8","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0829","0.0567","","","0.129","0.1404","","","","","","1.074","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078612","19.2333","0.0013","8.4368","0.0006","12.4042","0.0008","90","","96.411","0.002","90","","2000.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0787","0.0541","","","0.1354","0.1502","","","","","","1.036","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078613","14.689","0.003","9.005","0.002","32.942","0.008","90","","90","","90","","4357.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H31 N O3 S -","- C23 H31 N O3 S -","- C184 H248 N8 O24 S8 -","8","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0782","0.0493","","","0.118","0.1339","","","","","","1.047","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078614","8.5624","0.0012","8.6068","0.0012","13.3479","0.0019","91.113","0.002","98.047","0.002","95.389","0.002","969.2","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N O3 S -","- C21 H27 N O3 S -","- C42 H54 N2 O6 S2 -","2","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0573","0.0428","","","0.1305","0.1616","","","","","","1.102","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078615","7.996","0.004","23.664","0.011","9.514","0.005","90","","113.75","0.005","90","","1647.8","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Fe0 Mn N O5 -","- C16 H16 Mn N O5 -","- C64 H64 Mn4 N4 O20 -","4","1","","Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E.; Metzler-Nolte, Nils","Sandwich and Half-Sandwich Derivatives of Platensimycin: Synthesis and Biological Evaluation","Organometallics","2012","31","16","5760","","10.1021/om201146c","","","0.71075","MoKα","","0.0686","0.046","","","0.0973","0.1103","","","","","","1.114","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078616","21.472","0.01","7.707","0.003","30.064","0.014","90","","90","","90","","4975","4","203","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Mn N O11 -","- C24 H24 Mn N O11 -","- C192 H192 Mn8 N8 O88 -","8","1","","Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E.; Metzler-Nolte, Nils","Sandwich and Half-Sandwich Derivatives of Platensimycin: Synthesis and Biological Evaluation","Organometallics","2012","31","16","5760","","10.1021/om201146c","","","0.71073","MoKα","","0.0766","0.0616","","","0.1584","0.1758","","","","","","1.055","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078617","30.07","0.04","7.5683","0.001","13.092","0.018","90","","102.27","0.016","90","","2911","6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Fe N O6 Si -","- C29 H35 Fe N O6 Si -","- C116 H140 Fe4 N4 O24 Si4 -","4","1","","Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E.; Metzler-Nolte, Nils","Sandwich and Half-Sandwich Derivatives of Platensimycin: Synthesis and Biological Evaluation","Organometallics","2012","31","16","5760","","10.1021/om201146c","","","0.71075","MoKα","","0.1099","0.0842","","","0.2001","0.2181","","","","","","1.04","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078618","7.727","0.011","9.545","0.015","16.53","0.03","82.1","0.04","86.75","0.05","67.37","0.04","1115","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N O9 -","- C23 H20 Mn N O9 -","- C46 H40 Mn2 N2 O18 -","2","1","","Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E.; Metzler-Nolte, Nils","Sandwich and Half-Sandwich Derivatives of Platensimycin: Synthesis and Biological Evaluation","Organometallics","2012","31","16","5760","","10.1021/om201146c","","","0.71075","MoKα","","0.2148","0.0905","","","0.1341","0.1839","","","","","","1.037","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078619","9.6598","0.0014","16.151","0.003","17.149","0.003","65.55","0.002","88.613","0.003","78.037","0.003","2377","0.7","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 Li2 N4 O4 -","- C52 H70 Li2 N4 O4 -","- C104 H140 Li4 N8 O8 -","2","1","","Zhang, Yanyu; Yao, Wei; Li, He; Mu, Ying","Rare-Earth-Metal Complexes Supported by New Chiral Tetra-Azane Chelating Ligands: Synthesis, Characterization, and Catalytic Properties for Intramolecular Asymmetric Hydroamination","Organometallics","2012","31","13","4670","","10.1021/om201286u","","","0.71073","MoKα","","0.163","0.079","","","0.1601","0.2017","","","","","","1.011","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078620","12.6508","0.0009","17.935","0.0012","22.2951","0.0015","90","","90","","90","","5058.6","0.6","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 Cl2 Li N4 O4 Sc -","- C52 H70 Cl2 Li N4 O4 Sc -","- C208 H280 Cl8 Li4 N16 O16 Sc4 -","4","1","","Zhang, Yanyu; Yao, Wei; Li, He; Mu, Ying","Rare-Earth-Metal Complexes Supported by New Chiral Tetra-Azane Chelating Ligands: Synthesis, Characterization, and Catalytic Properties for Intramolecular Asymmetric Hydroamination","Organometallics","2012","31","13","4670","","10.1021/om201286u","","","0.71073","MoKα","","0.0548","0.0466","","","0.1178","0.1226","","","","","","1.119","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078621","12.3497","0.0016","18.816","0.003","22.036","0.003","90","","90","","90","","5120.5","1.3","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 Cl2 Li N4 O4 Y -","- C52 H70 Cl2 Li N4 O4 Y -","- C208 H280 Cl8 Li4 N16 O16 Y4 -","4","1","","Zhang, Yanyu; Yao, Wei; Li, He; Mu, Ying","Rare-Earth-Metal Complexes Supported by New Chiral Tetra-Azane Chelating Ligands: Synthesis, Characterization, and Catalytic Properties for Intramolecular Asymmetric Hydroamination","Organometallics","2012","31","13","4670","","10.1021/om201286u","","","0.71073","MoKα","","0.1862","0.0741","","","0.1063","0.1346","","","","","","0.945","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078622","13.2799","0.0009","13.9219","0.0009","27.5159","0.0018","90","","90","","90","","5087.2","0.6","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 Cl2 Li N4 O2 Y -","- C52 H70 Cl2 Li N4 O2 Y -","- C208 H280 Cl8 Li4 N16 O8 Y4 -","4","1","","Zhang, Yanyu; Yao, Wei; Li, He; Mu, Ying","Rare-Earth-Metal Complexes Supported by New Chiral Tetra-Azane Chelating Ligands: Synthesis, Characterization, and Catalytic Properties for Intramolecular Asymmetric Hydroamination","Organometallics","2012","31","13","4670","","10.1021/om201286u","","","0.71073","MoKα","","0.115","0.0997","","","0.263","0.2778","","","","","","1.064","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078623","10.3898","0.0011","16.0613","0.0019","34.037","0.004","90","","90","","90","","5679.9","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 O P2 S -","- C36 H28 O P2 S -","- C288 H224 O8 P16 S8 -","8","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.054","0.0421","","","0.105","0.1137","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078624","16.9653","0.0017","10.9952","0.0011","24.222","0.002","90","","108.588","0.002","90","","4282.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Cl O4 P2 Rh S -","- C48 H36 Cl O4 P2 Rh S -","- C192 H144 Cl4 O16 P8 Rh4 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.065","0.0471","","","0.12","0.1335","","","","","","1.048","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078625","12.0674","0.0004","12.7353","0.0004","19.5111","0.0006","90","","90","","90","","2998.5","0.17","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 N3 O P2 Rh S -","- C36 H28 N3 O P2 Rh S -","- C144 H112 N12 O4 P8 Rh4 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0329","0.0267","","","0.0527","0.0551","","","","","","1.031","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078626","33.188","0.002","12.5088","0.0007","27.1062","0.0016","90","","125.157","0.002","90","","9200.1","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H43 F6 N O P3 Rh S -","- C48.5 H43 F6 N O P3 Rh S -","- C388 H344 F48 N8 O8 P24 Rh8 S8 -","8","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0586","0.0356","","","0.0787","0.0888","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078627","10.8356","0.0009","14.2555","0.0012","17.2755","0.0014","67.974","0.001","87.434","0.001","67.813","0.001","2275.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H58 Cl Ir O3 P2 S -","- C52 H58 Cl Ir O3 P2 S -","- C104 H116 Cl2 Ir2 O6 P4 S2 -","2","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0526","0.0392","","","0.085","0.0917","","","","","","1.033","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078628","9.9455","0.0004","13.7424","0.0005","15.618","0.0006","90","","94.95","0.002","90","","2126.63","0.14","100","2","100","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C41 H34 Cl F3 Ir N2 O4 P2 S2 -","- C41 H34 Cl F3 Ir N2 O4 P2 S2 -","- C82 H68 Cl2 F6 Ir2 N4 O8 P4 S4 -","2","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","1.54178","CuKα","","0","0.0202","","","0.0504","0.0505","","","","","","1.068","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078629","10.1433","0.0003","10.4097","0.0003","17.6886","0.0004","94.6","","92.44","","113.23","","1705.15","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Cl Ir O2 P2 S -","- C40 H36 Cl Ir O2 P2 S -","- C80 H72 Cl2 Ir2 O4 P4 S2 -","2","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0211","0.0195","","","0.0466","0.0473","","","","","","1.03","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078630","17.1826","0.0012","9.3648","0.0007","19.5299","0.0014","90","","104.127","0.002","90","","3047.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl Ir O3 P2 S -","- C36 H28 Cl Ir O3 P2 S -","- C144 H112 Cl4 Ir4 O12 P8 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0484","0.032","","","0.0688","0.0747","","","","","","1.032","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078631","10.1778","0.0005","18.3139","0.0009","18.2294","0.0009","90","","104.693","0.003","90","","3286.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Ni O2.5 P2 S -","- C39 H28 Ni O2.5 P2 S -","- C156 H112 Ni4 O10 P8 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0805","0.0741","","","0.1778","0.1807","","","","","","1.326","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078632","13.3638","0.0002","15.4106","0.0002","18.3533","0.0002","90","","106.051","0.001","90","","3632.41","0.08","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 Cl F6 Ni O P3 S -","- C39 H31 Cl F6 Ni O P3 S -","- C156 H124 Cl4 F24 Ni4 O4 P12 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","1.54178","CuKα","","0.0368","0.0342","","","0.0865","0.0888","","","","","","1.029","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078633","20.0444","0.0009","12.6952","0.0006","20.6272","0.0009","90","","99.757","0.001","90","","5173","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5.95 H5.3 O0.19 P0.28 Pd0.09 S0.09 -","- C5.95349 H5.30233 O0.186047 P0.27907 Pd0.0930233 S0.0930233 -","- C256 H228 O8 P12 Pd4 S4 -","43","10.75","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0659","0.0462","","","0.1039","0.1152","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078634","11.2946","0.0005","11.4688","0.0005","17.2693","0.0008","86.456","0.002","88.538","0.002","77.085","0.002","2176.07","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.5 H43 Cl O P3 Pt S -","- C54.5 H43 Cl O P3 Pt S -","- C109 H86 Cl2 O2 P6 Pt2 S2 -","2","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0322","0.0248","","","0.0545","0.0566","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078635","13.3148","0.0005","15.3494","0.0005","18.7144","0.0006","90","","105.973","0.002","90","","3677.1","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cl F6 N O P3 Pd S -","- C38 H28 Cl F6 N O P3 Pd S -","- C152 H112 Cl4 F24 N4 O4 P12 Pd4 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0518","0.0356","","","0.0853","0.0961","","","","","","1.041","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078636","13.3596","0.0006","15.3077","0.0007","18.7872","0.0009","90","","106.112","0.002","90","","3691.2","0.3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl F6 N O P3 Pt S -","- C38 H31 Cl F6 N O P3 Pt S -","- C152 H124 Cl4 F24 N4 O4 P12 Pt4 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0297","0.0234","","","0.0578","0.0608","","","","","","1.023","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078637","14.2182","0.0011","17.058","0.0013","15.6882","0.0012","90","","104.462","0.002","90","","3684.4","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H34 F6 N O P3 Pd S -","- C39 H34 F6 N O P3 Pd S -","- C156 H136 F24 N4 O4 P12 Pd4 S4 -","4","2","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0","0.0372","","","0.079","0.0831","","","","","","1.031","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078638","8.936","0.002","16.722","0.004","25.078","0.006","90","","95.722","0.007","90","","3728.7","1.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 F6 N O P3 Pt S -","- C39 H31 F6 N O P3 Pt S -","- C156 H124 F24 N4 O4 P12 Pt4 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0302","0.0276","","","0.0682","0.0694","","","","","","1.134","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078639","14.9538","0.0004","14.9538","0.0004","30.2975","0.0009","90","","90","","120","","5867.3","0.3","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C84 H80 F12 O5 P6 Pd2 S2 -","- C84 H80 F12 O5 P6 Pd2 S2 -","- C252 H240 F36 O15 P18 Pd6 S6 -","3","0.5","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0359","0.0314","","","0.0743","0.0764","","","","","","1.095","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078640","17.8021","0.0009","22.4724","0.0012","11.0253","0.0005","90","","90","","90","","4410.7","0.4","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C42 H37 F12 N3 O P4 Pd S -","- C42 H37 F12 N3 O P4 Pd S -","- C168 H148 F48 N12 O4 P16 Pd4 S4 -","4","0.5","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0458","0.029","","","0.0621","0.0689","","","","","","1.035","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078641","9.7676","0.0003","8.3207","0.0003","27.1396","0.001","90","","101.583","0.002","90","","2160.8","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 O7 P W -","- C20 H23 O7 P W -","- C80 H92 O28 P4 W4 -","4","1","","Streubel, Rainer; Schneider, Eva; Schnakenburg, Gregor","Novel Spirooxaphosphirane Complexes","Organometallics","2012","31","13","4707","","10.1021/om300152y","","","0.71073","MoKα","","0.0566","0.0321","","","0.057","0.0616","","","","","","0.937","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078642","10.8467","0.0006","14.813","0.0008","12.9188","0.0007","90","","96.47","0.002","90","","2062.47","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 O7 P W -","- C19 H21 O7 P W -","- C76 H84 O28 P4 W4 -","4","1","","Streubel, Rainer; Schneider, Eva; Schnakenburg, Gregor","Novel Spirooxaphosphirane Complexes","Organometallics","2012","31","13","4707","","10.1021/om300152y","","","0.71073","MoKα","","0.0537","0.0349","","","0.0666","0.0732","","","","","","1.023","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078643","18.276","0.001","10.68","0.002","16.189","0.001","90","","90","","90","","3159.9","0.6","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H38 O3 P2 Ru -","- C37 H38 O3 P2 Ru -","- C148 H152 O12 P8 Ru4 -","4","1","","Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.","Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry","Organometallics","2012","31","15","5262","","10.1021/om300157w","","","0.71073","MoKα","","0.025","0.024","","0.043","","0.042","","","1.052","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078644","16.548","0.001","11.421","0.002","18.348","0.001","90","","95.738","0.001","90","","3450.3","0.7","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 F6 O3 P3 Ru -","- C36 H37 F6 O3 P3 Ru -","- C144 H148 F24 O12 P12 Ru4 -","4","1","","Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.","Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry","Organometallics","2012","31","15","5262","","10.1021/om300157w","","","0.71073","MoKα","","0.066","0.054","","","0.118","0.133","","","","1.118","1.118","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078645","17.869","0.002","10.541","0.001","16.184","0.002","90","","90","","90","","3048.4","0.6","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 O3 P2 Ru -","- C36 H36 O3 P2 Ru -","- C144 H144 O12 P8 Ru4 -","4","1","","Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.","Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry","Organometallics","2012","31","15","5262","","10.1021/om300157w","","","0.71073","MoKα","","0.036","0.034","","0.067","","0.056","","","1.27","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078646","8.84","0.001","12.126","0.002","16.502","0.003","80.644","0.003","80.18","0.003","73.254","0.003","1657","0.4","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 O2 P2 Ru -","- C36 H34 Cl2 O2 P2 Ru -","- C72 H68 Cl4 O4 P4 Ru2 -","2","1","","Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.","Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry","Organometallics","2012","31","15","5262","","10.1021/om300157w","","","0.71073","MoKα","","0.054","0.046","","","0.109","0.119","","","","1.021","1.021","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078647","46.357","0.003","11.9083","0.0008","24.695","0.002","90","","107.864","0.001","90","","12975.2","1.6","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H73 F6 O2 P5 Ru2 -","- C72 H73 F6 O2 P5 Ru2 -","- C576 H584 F48 O16 P40 Ru16 -","8","1","","Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.","Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry","Organometallics","2012","31","15","5262","","10.1021/om300157w","","","0.71073","MoKα","","0.085","0.052","","","0.107","0.158","","","","1.013","1.013","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078648","9.4256","0.0007","16.016","0.001","20.502","0.001","90","","101.76","0.001","90","","3030","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O2 P2 Ru -","- C36 H34 O2 P2 Ru -","- C144 H136 O8 P8 Ru4 -","4","1","","Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.","Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry","Organometallics","2012","31","15","5262","","10.1021/om300157w","","","0.71073","MoKα","","0.04","0.04","","","0.071","0.071","","","","1.096","1.096","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078649","29.509","0.002","9.5058","0.0007","22.7777","0.0017","90","","113.998","0.001","90","","5837","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H68 Cl8 O2 Si Zr -","- C54 H68 Cl8 O2 Si Zr -","- C216 H272 Cl32 O8 Si4 Zr4 -","4","0.5","","Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Churakov, Andrei V.; Mercandelli, Pierluigi","5-Methoxy-Substituted Zirconium Bis-indenylansa-Complexes: Synthesis, Structure, and Catalytic Activity in the Polymerization and Copolymerization of Alkenes","Organometallics","2012","31","14","4962","","10.1021/om300160v","","","0.71073","MoKα","","0.0853","0.0688","","","0.1881","0.2008","","","","","","1.084","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078650","9.1156","0.0009","10.8683","0.0007","13.3557","0.0013","77.712","0.006","81.12","0.004","88.288","0.006","1277.3","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H27 O6 P Si2 W -","- C20 H27 O6 P Si2 W -","- C40 H54 O12 P2 Si4 W2 -","2","1","","Streubel, Rainer; Klein, Melina; Schnakenburg, Gregor","Probing the Group Tolerance of a Li/Cl Phosphinidenoid Complex Using Alkenyl-Substituted Aldehydes","Organometallics","2012","31","13","4711","","10.1021/om300177c","","","0.71073","MoKα","","0.0509","0.0369","","","0.0797","0.0839","","","","","","0.986","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078651","13.6791","0.0005","29.6551","0.001","16.42","0.0005","90","","90.54","0.003","90","","6660.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Br2 O2 Si2 Sn -","- C12 H30 Br2 O2 Si2 Sn -","- C144 H360 Br24 O24 Si24 Sn12 -","12","3","","Haj, Samer Baba; Schürmann, Markus; Iovkova-Berends, Ljuba; Herres-Pawlis, Sonja; Jurkschat, Klaus","[Me2(i-PrO)SiCH2]2SnBr2: Evidence for Intramolecular Si‒O Bond Activation","Organometallics","2012","31","13","4716","","10.1021/om300200u","","","0.71073","MoKα","","0.1221","0.0472","","","0.1179","0.1371","","","","","","0.683","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078652","27.1091","0.0004","6.80307","0.00008","31.1056","0.0004","90","","101.432","0.0013","90","","5622.85","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl2 O2 Si2 Ti -","- C28 H34 Cl2 O2 Si2 Ti -","- C224 H272 Cl16 O16 Si16 Ti8 -","8","1","","Deally, Anthony; Hackenberg, Frauke; Lally, Grainne; Müller-Bunz, Helge; Tacke, Matthias","Synthesis and Cytotoxicity Studies of Silyl-Substituted Titanocene Dichloride Derivatives","Organometallics","2012","31","16","5782","","10.1021/om300227h","","","1.54184","CuKα","","0.0331","0.027","","","0.069","0.0712","","","","","","1.05","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078653","13.2693","0.0003","18.6775","0.0004","20.5498","0.0004","90","","90","","90","","5093.01","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H30 Cl2 Si2 Ti -","- C26 H30 Cl2 Si2 Ti -","- C208 H240 Cl16 Si16 Ti8 -","8","1","","Deally, Anthony; Hackenberg, Frauke; Lally, Grainne; Müller-Bunz, Helge; Tacke, Matthias","Synthesis and Cytotoxicity Studies of Silyl-Substituted Titanocene Dichloride Derivatives","Organometallics","2012","31","16","5782","","10.1021/om300227h","","","0.71073","MoKα","","0.0415","0.0293","","","0.0637","0.0699","","","","","","1.035","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078654","4.66648","0.00007","18.494","0.0002","20.8415","0.0003","90","","90","","90","","1798.66","0.04","233","2","233","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H10 F9 N O -","- C20 H10 F9 N O -","- C80 H40 F36 N4 O4 -","4","1","","Liu, Cham-Chuen; So, Loi-Chi; Lo, Jerry C. Y.; Chan, Michael C. W.; Kaneyoshi, Hiromu; Makio, Haruyuki","Highly Fluorinated (σ-Aryl)-Chelating Titanium(IV) Post-Metallocene: Characterization and Scalar [C‒H···F‒C] Coupling","Organometallics","2012","31","15","5274","","10.1021/om3002334","","","1.5418","CuKα","","0.0318","0.0304","","","0.0794","0.0804","","","","","","1.033","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078655","19.4593","0.0003","18.6396","0.0002","25.1695","0.0004","90","","90","","90","","9129.3","0.2","200","","200","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","[Tp'(CO)~2~MoCBF~2~(OMe)]K.C~12~H~24~O~6~.C~6~H~6~","","- C37 H55 B2 F2 K Mo N6 O9 -","- C37 H55 B2 F2 K Mo N6 O9 -","- C296 H440 B16 F16 K8 Mo8 N48 O72 -","8","1","","Hill, Anthony F.; Shang, Rong","Boratocarbyne Complexes: Li[Mo{≡CB(OMe)3}(CO)2{HB(pzMe2)3}] and [K(18-crown-6)][Mo(≡CBF2OMe)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl)","Organometallics","2012","31","13","4635","","10.1021/om300238m","","","0.71073","MoKα","","0.0555","0.0261","","0.1065","0.0737","0.1065","","","","","","0.9828","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078656","20.932","0.004","7.503","0.0017","20.915","0.004","90","","90","","90","","3284.8","1.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H13 Cl3 N2 Ru -","- C17 H13 Cl3 N2 Ru -","- C136 H104 Cl24 N16 Ru8 -","8","2","","Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata","Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes","Organometallics","2012","31","15","5282","","10.1021/om300241y","","","0.71073","MoKα","","0.0846","0.0419","","","0.0904","0.1198","","","","","","1.075","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078657","18.964","0.003","15.138","0.002","19.467","0.003","90","","100.946","0.004","90","","5486.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl4 N2 Ru2 -","- C22 H20 Cl4 N2 Ru2 -","- C176 H160 Cl32 N16 Ru16 -","8","2","","Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata","Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes","Organometallics","2012","31","15","5282","","10.1021/om300241y","","","0.71073","MoKα","","0.0453","0.0306","","","0.0641","0.0684","","","","","","0.987","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078658","9.4222","0.0011","10.7102","0.0012","11.1569","0.0014","64.183","0.002","85.266","0.002","72.337","0.002","964.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl N2 Ru S2 -","- C19 H19 Cl N2 Ru S2 -","- C38 H38 Cl2 N4 Ru2 S4 -","2","1","","Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata","Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes","Organometallics","2012","31","15","5282","","10.1021/om300241y","","","0.71073","MoKα","","0.0303","0.0262","","","0.0726","0.076","","","","","","0.783","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078659","36.395","0.006","8.7701","0.0013","18.326","0.003","90","","108.519","0.003","90","","5546.5","1.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Cl3 N4 O7 Ru4 S4 -","- C48 H52 Cl3 N4 O7 Ru4 S4 -","- C192 H208 Cl12 N16 O28 Ru16 S16 -","4","0.5","","Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata","Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes","Organometallics","2012","31","15","5282","","10.1021/om300241y","","","0.71073","MoKα","","0.0398","0.0353","","","0.1027","0.1055","","","","","","1.104","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078660","10.178","0.0017","12.442","0.002","13.129","0.002","83.865","0.004","77.925","0.004","69.202","0.004","1518.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 Cl7 N3 O4 Ru2 -","- C25 H18 Cl7 N3 O4 Ru2 -","- C50 H36 Cl14 N6 O8 Ru4 -","2","1","","Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata","Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes","Organometallics","2012","31","15","5282","","10.1021/om300241y","","","0.71073","MoKα","","0.0847","0.054","","","0.145","0.1692","","","","","","1.066","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078661","9.0893","0.0008","9.4136","0.0008","10.684","0.0009","64.083","0.001","76.07","0.002","74.921","0.002","785.37","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Cl4 N2 O4 Ru2 S2 -","- C26 H28 Cl4 N2 O4 Ru2 S2 -","- C26 H28 Cl4 N2 O4 Ru2 S2 -","1","0.5","","Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata","Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes","Organometallics","2012","31","15","5282","","10.1021/om300241y","","","0.71073","MoKα","","0.0384","0.0376","","","0.115","0.1157","","","","","","1.12","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078662","7.0401","0.0008","13.2467","0.0016","12.9711","0.0015","90","","91.223","0.002","90","","1209.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Mo S2 -","- C12 H16 Mo S2 -","- C48 H64 Mo4 S8 -","4","1","","Kuo, Louis Y.; Bentley, Anne K.; Shari’ati, Yusef A.; Smith, Curtis P.","Phosphonothioate Hydrolysis Turnover by Cp2MoCl2and Silver Nanoparticles","Organometallics","2012","31","15","5294","","10.1021/om300251w","","","0.71073","MoKα","","0.0251","0.0205","","","0.0446","0.0475","","","","","","1.032","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078663","6.8344","0.001","29.411","0.004","7.8777","0.0011","90","","110.176","0.002","90","","1486.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 F N2 O3 S Si -","- C10 H21 F N2 O3 S Si -","- C40 H84 F4 N8 O12 S4 Si4 -","4","1","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.0606","0.0475","","","0.095","0.0989","","","","","","1.003","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078664","6.2309","0.0011","15.816","0.003","19.111","0.003","90","","90","","90","","1883.3","0.6","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 F N2 O3 S Si -","- C16 H25 F N2 O3 S Si -","- C64 H100 F4 N8 O12 S4 Si4 -","4","1","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.0923","0.0543","","","0.1087","0.1164","","","","","","0.953","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078665","6.2703","0.0004","16.3805","0.001","17.9546","0.0011","90","","90","","90","","1844.1","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cl F N2 O3 S Si -","- C15 H22 Cl F N2 O3 S Si -","- C60 H88 Cl4 F4 N8 O12 S4 Si4 -","4","1","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.031","0.0278","","","0.0606","0.0618","","","","","","1.01","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078666","6.299","0.002","16.398","0.006","18.228","0.007","90","","90","","90","","1882.8","1.2","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Br F N2 O3 S Si -","- C15 H22 Br F N2 O3 S Si -","- C60 H88 Br4 F4 N8 O12 S4 Si4 -","4","1","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.1757","0.0737","","","0.1592","0.1894","","","","","","0.813","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078667","18.553","0.0016","7.4458","0.0006","26.979","0.002","90","","90","","90","","3726.9","0.5","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C15 H22 F N3 O5 S Si -","- C15 H22 F N3 O5 S Si -","- C120 H176 F8 N24 O40 S8 Si8 -","8","2","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.0934","0.0645","","","0.1254","0.1377","","","","","","1.079","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078668","20.6418","0.0009","10.9486","0.0005","20.9305","0.0009","90","","92.867","0.001","90","","4724.3","0.4","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C49 H54 Ir O4 P2 Rh Si3 -","- C49 H54 Ir O4 P2 Rh Si3 -","- C196 H216 Ir4 O16 P8 Rh4 Si12 -","4","0.5","","Mobarok, Md Hosnay; Ferguson, Michael J.; Cowie, Martin","Multiple Si‒H Bond Activations in a Bis(diethylphosphino)methane-Bridged Complex of Rhodium and Iridium: Synthesis of an Unusual Bis(silyl)/μ-Silylene Complex","Organometallics","2012","31","13","4722","","10.1021/om300283k","","","0.71073","MoKα","","0.0197","0.0171","","","0.0415","0.0434","","","","","","1.032","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078669","10.0265","0.0004","15.2613","0.0007","24.6102","0.0011","90","","93.734","0.001","90","","3757.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Ir O2 P4 Rh Si -","- C32 H56 Ir O2 P4 Rh Si -","- C128 H224 Ir4 O8 P16 Rh4 Si4 -","4","1","","Mobarok, Md Hosnay; Ferguson, Michael J.; Cowie, Martin","Multiple Si‒H Bond Activations in a Bis(diethylphosphino)methane-Bridged Complex of Rhodium and Iridium: Synthesis of an Unusual Bis(silyl)/μ-Silylene Complex","Organometallics","2012","31","13","4722","","10.1021/om300283k","","","0.71073","MoKα","","0.0363","0.0262","","","0.057","0.0617","","","","","","1.026","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078670","11.5032","0.0004","17.1496","0.0006","18.5262","0.0006","90","","97.0573","0.0004","90","","3627.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H56 Ir O3 P4 Rh Si -","- C30 H56 Ir O3 P4 Rh Si -","- C120 H224 Ir4 O12 P16 Rh4 Si4 -","4","1","","Mobarok, Md Hosnay; Ferguson, Michael J.; Cowie, Martin","Multiple Si‒H Bond Activations in a Bis(diethylphosphino)methane-Bridged Complex of Rhodium and Iridium: Synthesis of an Unusual Bis(silyl)/μ-Silylene Complex","Organometallics","2012","31","13","4722","","10.1021/om300283k","","","0.71073","MoKα","","0.019","0.0178","","","0.0446","0.045","","","","","","1.107","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078671","10.3112","0.0003","36.574","0.0009","13.3312","0.0004","90","","107.432","0.003","90","","4796.6","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Al Cl2 I2 N2 O2 -","- C22 H17 Al Cl2 I2 N2 O2 -","- C176 H136 Al8 Cl16 I16 N16 O16 -","8","2","","Bakewell, Clare; Platel, Rachel H.; Cary, Samantha K.; Hubbard, Steven M.; Roaf, Joshua M.; Levine, Alex C.; White, Andrew J. P.; Long, Nicholas J.; Haaf, Michael; Williams, Charlotte K.","Bis(8-quinolinolato)aluminum ethyl complexes: Iso-Selective Initiators forrac-Lactide Polymerization","Organometallics","2012","31","13","4729","","10.1021/om300307t","","","0.71073","MoKα","","0.1196","0.0985","","","0.1947","0.2015","","","","","","1.184","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078672","16.321","0.0009","7.198","0.0004","5.013","0.0002","90","","90","","90","","588.92","0.05","153","2","153","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","dimethylsilanediyl bis(ethylcarbamate)","","- C8 H18 N2 O4 Si -","- C8 H18 N2 O4 Si -","- C16 H36 N4 O8 Si2 -","2","0.25","","Kraushaar, Konstantin; Wiltzsch, Conny; Wagler, Jörg; Böhme, Uwe; Schwarzer, Anke; Roewer, Gerhard; Kroke, Edwin","From CO2to Polysiloxanes: Di(carbamoyloxy)silanes Me2Si[(OCO)NRR′]2as Precursors for PDMS","Organometallics","2012","31","13","4779","","10.1021/om300313f","","","0.71073","MoKα","","0.0303","0.0277","","","0.0759","0.0784","","","","","","1.048","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078673","16.8885","0.0017","5.0436","0.0003","17.8135","0.0015","90","","112.459","0.004","90","","1402.2","0.2","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C10 H22 N2 O4 Si -","- C10 H22 N2 O4 Si -","- C40 H88 N8 O16 Si4 -","4","1","","Kraushaar, Konstantin; Wiltzsch, Conny; Wagler, Jörg; Böhme, Uwe; Schwarzer, Anke; Roewer, Gerhard; Kroke, Edwin","From CO2to Polysiloxanes: Di(carbamoyloxy)silanes Me2Si[(OCO)NRR′]2as Precursors for PDMS","Organometallics","2012","31","13","4779","","10.1021/om300313f","","","0.71073","MoKα","","0.1001","0.0481","","","0.0779","0.0845","","","","","","0.847","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078674","19.935","0.006","4.5756","0.0015","18.573","0.006","90","","94.004","0.007","90","","1690","0.9","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H16 N2 O -","- C7 H16 N2 O -","- C56 H128 N16 O8 -","8","1","","Kraushaar, Konstantin; Wiltzsch, Conny; Wagler, Jörg; Böhme, Uwe; Schwarzer, Anke; Roewer, Gerhard; Kroke, Edwin","From CO2to Polysiloxanes: Di(carbamoyloxy)silanes Me2Si[(OCO)NRR′]2as Precursors for PDMS","Organometallics","2012","31","13","4779","","10.1021/om300313f","","","0.71073","MoKα","","0.0751","0.0545","","","0.1305","0.1382","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078675","9.6323","0.0009","16.5241","0.0016","6.7869","0.0007","90","","109.008","0.002","90","","1021.34","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl N2 Pt -","- C10 H11 Cl N2 Pt -","- C40 H44 Cl4 N8 Pt4 -","4","1","","Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James","Syntheses, Structures, and Electronic and Optical Properties of Platinum(II) Complexes of 1,3-Bis(imino)benzene-Derived Pincer Ligands","Organometallics","2012","31","15","5307","","10.1021/om3003152","","","0.71073","MoKα","","0.0248","0.0203","","","0.0414","0.0424","","","","","","1.034","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078676","10.0609","0.0013","10.0609","0.0013","31.897","0.006","90","","90","","90","","3228.7","0.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C18 H17 Cl N2 Pt -","- C18 H17 Cl N2 Pt -","- C144 H136 Cl8 N16 Pt8 -","8","1","","Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James","Syntheses, Structures, and Electronic and Optical Properties of Platinum(II) Complexes of 1,3-Bis(imino)benzene-Derived Pincer Ligands","Organometallics","2012","31","15","5307","","10.1021/om3003152","","","0.71073","MoKα","","0.041","0.0341","","","0.0646","0.0661","","","","","","1.165","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078677","8.415","0.003","9.746","0.003","19.733","0.007","81.192","0.004","80.322","0.004","71.961","0.004","1508.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H37 N2 P -","- C37 H37 N2 P -","- C74 H74 N4 P2 -","2","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization","Organometallics","2012","31","13","4748","","10.1021/om3003202","","","0.71073","MoKα","","0.0653","0.0541","","","0.1523","0.1632","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078678","17.59","0.002","8.4278","0.0011","18.031","0.002","90","","92.592","0.002","90","","2670.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 S -","- C31 H32 N2 S -","- C124 H128 N8 S4 -","4","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization","Organometallics","2012","31","13","4748","","10.1021/om3003202","","","0.71073","MoKα","","0.1152","0.0587","","","0.1543","0.1873","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078679","9.361","0.003","17.219","0.006","17.64","0.006","90","","105.386","0.003","90","","2741.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Cl N2 Ni P -","- C33 H28 Cl N2 Ni P -","- C132 H112 Cl4 N8 Ni4 P4 -","4","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization","Organometallics","2012","31","13","4748","","10.1021/om3003202","","","0.71073","MoKα","","0.059","0.0368","","","0.0781","0.0846","","","","","","0.911","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078680","9.342","0.003","22.935","0.008","30.025","0.01","90","","90","","90","","6433","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H36 Cl N2 Ni P -","- C37 H36 Cl N2 Ni P -","- C296 H288 Cl8 N16 Ni8 P8 -","8","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization","Organometallics","2012","31","13","4748","","10.1021/om3003202","","","0.71073","MoKα","","0.0629","0.0388","","","0.0872","0.0957","","","","","","0.947","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078681","9.1849","0.0009","17.4421","0.0016","17.5158","0.0016","90","","104.405","0.002","90","","2717.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Cl N2 P Pd -","- C33 H28 Cl N2 P Pd -","- C132 H112 Cl4 N8 P4 Pd4 -","4","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization","Organometallics","2012","31","13","4748","","10.1021/om3003202","","","0.71073","MoKα","","0.0586","0.0346","","","0.1008","0.1262","","","","","","0.864","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078682","10.95","0.002","11.432","0.002","15.432","0.003","72.36","0.02","71.55","0.02","87.5","0.02","1743.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H38 O12 Zn3 -","- C35 H38 O12 Zn3 -","- C70 H76 O24 Zn6 -","2","1","","Petrus, Rafał; Sobota, Piotr","Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure, Solution Behavior, and Application in Ring-Opening Polymerization of Lactides","Organometallics","2012","31","13","4755","","10.1021/om300321h","","","0.71073","MoKα","","0.0536","0.0324","","","0.0729","0.0766","","","","","","0.914","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078683","8.529","0.003","8.529","0.003","18.948","0.005","90","","90","","120","","1193.7","0.7","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C17 H15 N O6 Zn -","- C17 H15 N O6 Zn -","- C51 H45 N3 O18 Zn3 -","3","0.5","","Petrus, Rafał; Sobota, Piotr","Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure, Solution Behavior, and Application in Ring-Opening Polymerization of Lactides","Organometallics","2012","31","13","4755","","10.1021/om300321h","","","0.71073","MoKα","","0.0361","0.0299","","","0.0648","0.0661","","","","","","1.008","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078684","8.536","0.002","10.173","0.002","12.628","0.003","97.45","0.02","102.25","0.02","105.67","0.02","1011.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H48 O14 Zn4 -","- C39 H48 O14 Zn4 -","- C39 H48 O14 Zn4 -","1","0.5","","Petrus, Rafał; Sobota, Piotr","Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure, Solution Behavior, and Application in Ring-Opening Polymerization of Lactides","Organometallics","2012","31","13","4755","","10.1021/om300321h","","","0.71073","MoKα","","0.0501","0.0326","","","0.0778","0.0817","","","","","","0.942","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078685","7.469","0.003","7.74","0.004","14.296","0.006","100.83","0.02","96.86","0.03","106.8","0.03","763.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl4 O12 Zn2 -","- C26 H24 Cl4 O12 Zn2 -","- C26 H24 Cl4 O12 Zn2 -","1","0.5","","Petrus, Rafał; Sobota, Piotr","Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure, Solution Behavior, and Application in Ring-Opening Polymerization of Lactides","Organometallics","2012","31","13","4755","","10.1021/om300321h","","","0.71073","MoKα","","0.0876","0.0569","","","0.138","0.1468","","","","","","0.946","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078686","10.7987","0.0009","14.9644","0.0013","14.275","0.0012","90","","106.796","0.002","90","","2208.4","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsk25","Pt(dippe)(OAc)2","","- C18 H38 O4 P2 Pt -","- C18 H38 O4 P2 Pt -","- C72 H152 O16 P8 Pt4 -","4","1","","Manbeck, Kimberly A.; Kundu, Sabuj; Walsh, Aaron P.; Brennessel, William W.; Jones, William D.","Carbon‒Oxygen Bond Activation in Esters by Platinum(0): Cleavage of the Less Reactive Bond","Organometallics","2012","31","14","5018","","10.1021/om300323d","","","0.71073","MoKα","","0.0633","0.036","","","0.0699","0.079","","","","","","1.019","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078687","17.8752","0.0011","11.7959","0.0007","17.3629","0.001","90","","107.584","0.001","90","","3490","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonkm07","Pt(dippe)(O2CPh)2","","- C35 H48 O6 P2 Pt -","- C35 H48 O6 P2 Pt -","- C140 H192 O24 P8 Pt4 -","4","1","","Manbeck, Kimberly A.; Kundu, Sabuj; Walsh, Aaron P.; Brennessel, William W.; Jones, William D.","Carbon‒Oxygen Bond Activation in Esters by Platinum(0): Cleavage of the Less Reactive Bond","Organometallics","2012","31","14","5018","","10.1021/om300323d","","","0.71073","MoKα","","0.0484","0.0286","","","0.0562","0.0622","","","","","","1.019","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078688","10.4961","0.0009","15.5935","0.0013","14.4889","0.0012","90","","105.047","0.001","90","","2290.1","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsk47","Pt(dippe)(s-allyl)(OAc)","","- C19 H40 O2 P2 Pt -","- C19 H40 O2 P2 Pt -","- C76 H160 O8 P8 Pt4 -","4","1","","Manbeck, Kimberly A.; Kundu, Sabuj; Walsh, Aaron P.; Brennessel, William W.; Jones, William D.","Carbon‒Oxygen Bond Activation in Esters by Platinum(0): Cleavage of the Less Reactive Bond","Organometallics","2012","31","14","5018","","10.1021/om300323d","","","0.71073","MoKα","","0.0771","0.0397","","","0.0711","0.0817","","","","","","1.026","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078689","9.1218","0.0007","15.4549","0.0011","15.8172","0.0012","90","","104.412","0.001","90","","2159.7","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonkm05","Pt(dippe)(eta2-vinylOAc)","","- C18 H38 O2 P2 Pt -","- C18 H38 O2 P2 Pt -","- C72 H152 O8 P8 Pt4 -","4","1","","Manbeck, Kimberly A.; Kundu, Sabuj; Walsh, Aaron P.; Brennessel, William W.; Jones, William D.","Carbon‒Oxygen Bond Activation in Esters by Platinum(0): Cleavage of the Less Reactive Bond","Organometallics","2012","31","14","5018","","10.1021/om300323d","","","0.71073","MoKα","","0.027","0.0201","","","0.0429","0.0449","","","","","","1.03","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078690","10.5526","0.0006","10.5591","0.0006","15.7804","0.0009","82.093","0.001","70.687","0.001","71.712","0.001","1574.46","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","jonaw27","Pt(dippe)(k2-O2CC6H4)","","- C31 H51 O2 P2 Pt -","- C31 H51 O2 P2 Pt -","- C62 H102 O4 P4 Pt2 -","2","1","","Manbeck, Kimberly A.; Kundu, Sabuj; Walsh, Aaron P.; Brennessel, William W.; Jones, William D.","Carbon‒Oxygen Bond Activation in Esters by Platinum(0): Cleavage of the Less Reactive Bond","Organometallics","2012","31","14","5018","","10.1021/om300323d","","","0.71073","MoKα","","0.0529","0.0342","","","0.0666","0.0721","","","","","","1.038","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078691","20.04","0.002","12.9198","0.0015","18.943","0.002","90","","114.115","0.002","90","","4476.5","0.8","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonaw25","Pt(dippe)(norbornyl)(O2CPh)","","- C21 H36 O2 P2 Pt -","- C21 H36 O2 P2 Pt -","- C168 H288 O16 P16 Pt8 -","8","2","","Manbeck, Kimberly A.; Kundu, Sabuj; Walsh, Aaron P.; Brennessel, William W.; Jones, William D.","Carbon‒Oxygen Bond Activation in Esters by Platinum(0): Cleavage of the Less Reactive Bond","Organometallics","2012","31","14","5018","","10.1021/om300323d","","","0.71073","MoKα","","0.0571","0.0303","","","0.0562","0.0635","","","","","","1.008","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078692","7.24","0.0018","9.098","0.003","14.711","0.005","88.652","0.011","80.572","0.01","67.346","0.007","881.3","0.5","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 O2 Ru -","- C20 H30 O2 Ru -","- C40 H60 O4 Ru2 -","2","1","","Hirano, Masafumi; Okamoto, Takuya; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric Carbon‒Carbon Bond Forming Reaction of 1,3-Diene with 1,2-Diene in a Ruthenium(0) Complex","Organometallics","2012","31","13","4639","","10.1021/om300326q","","","0.71075","MoKα","","","0.0308","","","","0.0854","","","","","","0.686","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078693","7.3967","0.0015","11.632","0.003","19.008","0.004","90","","101.763","0.003","90","","1601.1","0.6","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Ru -","- C19 H30 Ru -","- C76 H120 Ru4 -","4","1","","Hirano, Masafumi; Okamoto, Takuya; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric Carbon‒Carbon Bond Forming Reaction of 1,3-Diene with 1,2-Diene in a Ruthenium(0) Complex","Organometallics","2012","31","13","4639","","10.1021/om300326q","","","0.71075","MoKα","","","0.0281","","","","0.086","","","","","","0.719","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078694","15.9511","0.0004","9.2259","0.0002","23.099","0.0006","90","","90","","90","","3399.32","0.14","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C31 H34 Cl2 N3 O2 P Pt S3 -","- C31 H34 Cl2 N3 O2 P Pt S3 -","- C124 H136 Cl8 N12 O8 P4 Pt4 S12 -","4","1","","Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Clavel, Catherine M.; Dyson, Paul J.; Kock, Carmen de; Smith, Peter J.; Chibale, Kelly; Smith, Gregory S.","Exploring the Versatility of Cycloplatinated Thiosemicarbazones as Antitumor and Antiparasitic Agents","Organometallics","2012","31","16","5791","","10.1021/om300334z","","","0.71073","MoKα","","0.028","0.0214","","","0.0382","0.0403","","","","","","1.145","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078695","14.7265","0.0006","30.6788","0.0014","14.2547","0.0006","90","","111.902","0.001","90","","5975.3","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Cl8 N12 O3 Pt4 S7 -","- C42 H40 Cl8 N12 O3 Pt4 S7 -","- C168 H160 Cl32 N48 O12 Pt16 S28 -","4","0.5","","Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Clavel, Catherine M.; Dyson, Paul J.; Kock, Carmen de; Smith, Peter J.; Chibale, Kelly; Smith, Gregory S.","Exploring the Versatility of Cycloplatinated Thiosemicarbazones as Antitumor and Antiparasitic Agents","Organometallics","2012","31","16","5791","","10.1021/om300334z","","","0.71073","MoKα","","0.0269","0.0204","","","0.0454","0.0485","","","","","","1.068","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078696","19.176","0.004","6.0493","0.0012","17.977","0.004","90","","114.13","0.03","90","","1903.1","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N6 P Pt S -","- C15 H19 Cl2 N6 P Pt S -","- C60 H76 Cl8 N24 P4 Pt4 S4 -","4","1","","Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Clavel, Catherine M.; Dyson, Paul J.; Kock, Carmen de; Smith, Peter J.; Chibale, Kelly; Smith, Gregory S.","Exploring the Versatility of Cycloplatinated Thiosemicarbazones as Antitumor and Antiparasitic Agents","Organometallics","2012","31","16","5791","","10.1021/om300334z","","","0.71073","MoKα","","0.0216","0.0182","","","0.0389","0.0402","","","","","","1.126","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078697","21.6195","0.0004","13.4419","0.0003","15.0634","0.0003","90","","105.341","0.001","90","","4221.55","0.15","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Au Cl N6 -","- C21 H22 Au Cl N6 -","- C168 H176 Au8 Cl8 N48 -","8","2","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0263","0.0208","","","0.0415","0.0428","","","","","","1.049","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078698","6.7513","0.0004","8.4871","0.0004","19.0475","0.001","98.467","0.004","90.93","0.004","94.482","0.004","1075.78","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Au Br N6 -","- C21 H22 Au Br N6 -","- C42 H44 Au2 Br2 N12 -","2","1","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0296","0.0277","","","0.0697","0.0707","","","","","","1.01","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078699","21.3507","0.0003","16.799","0.0004","24.2172","0.0004","90","","90","","90","","8686","0.3","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H44 Au F6 N12 P -","- C42 H44 Au F6 N12 P -","- C336 H352 Au8 F48 N96 P8 -","8","1","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0459","0.031","","","0.0462","0.0491","","","","","","1.094","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078700","37.4936","0.0008","14.7162","0.0003","26.6462","0.0006","90","","129.031","0.001","90","","11420.9","0.5","133","2","133","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C45 H50 Ag Au B F10 N12 O P -","- C45 H50 Ag Au B F10 N12 O P -","- C360 H400 Ag8 Au8 B8 F80 N96 O8 P8 -","8","1","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0514","0.0403","","","0.0987","0.1037","","","","","","1.041","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078701","12.597","0.0002","26.1408","0.0005","22.4153","0.0004","90","","98.377","0.001","90","","7302.5","0.2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H65 Ag3 Au B4 F16 N19 -","- C56 H65 Ag3 Au B4 F16 N19 -","- C224 H260 Ag12 Au4 B16 F64 N76 -","4","0.5","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0363","0.0336","","","0.0897","0.0911","","","","","","1.037","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078702","14.0308","0.0003","18.6868","0.0003","22.1264","0.0005","90","","106.613","0.002","90","","5559.2","0.2","133","2","133","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C44.75 H48 Au Cl4 Cu F9.75 N12 O2.25 P1.25 S0.75 -","- C44.75 H48 Au Cl4 Cu F9.75 N12 O2.25 P1.25 S0.75 -","- C179 H192 Au4 Cl16 Cu4 F39 N48 O9 P5 S3 -","4","1","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0542","0.0447","","","0.0991","0.1038","","","","","","1.044","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078703","7.9246","0.0003","8.6052","0.0004","36.7337","0.0015","83.326","0.003","84.118","0.003","69.502","0.003","2325.32","0.18","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Au Cl3 N6 -","- C21 H22 Au Cl3 N6 -","- C84 H88 Au4 Cl12 N24 -","4","2","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0358","0.0323","","","0.0833","0.0851","","","","","","1.044","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078704","9.5169","0.0007","11.3837","0.0008","11.9104","0.0008","76.634","0.006","84.024","0.006","67.107","0.005","1156.36","0.15","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Au Br2 N6 -","- C21 H21 Au Br2 N6 -","- C42 H42 Au2 Br4 N12 -","2","1","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0374","0.0325","","","0.075","0.0772","","","","","","1.044","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078705","20.4758","0.0012","30.847","0.0018","13.1932","0.0007","90","","96.847","0.001","90","","8273.6","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H94 Cl2 P4 Ru2 S2 -","- C93 H94 Cl2 P4 Ru2 S2 -","- C372 H376 Cl8 P16 Ru8 S8 -","4","1","","Xia, Jian-Long; Man, Wing Y.; Zhu, Xinxun; Zhang, Chan; Jin, Guo-Jun; Schauer, Phil A.; Fox, Mark A.; Yin, Jun; Yu, Guang-Ao; Low, Paul J.; Liu, Sheng Hua","Synthesis and Characterization of Dithia[3.3]paracyclophane-Bridged Binuclear Ruthenium Vinyl and Alkynyl Complexes","Organometallics","2012","31","15","5321","","10.1021/om300338j","","","0.71073","MoKα","","0.0687","0.0609","","","0.1418","0.1459","","","","","","1.149","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078706","7.434","0.003","11.928","0.005","13.261","0.005","61.393","0.009","81.831","0.013","87.954","0.016","1021.2","0.7","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 N3 Ni O2 S3 -","- C17 H27 N3 Ni O2 S3 -","- C34 H54 N6 Ni2 O4 S6 -","2","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.062","","","","0.1816","","","","","","1.036","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078707","8.163","0.015","17.29","0.04","12.29","0.03","90","","91.418","0.014","90","","1734","7","153","","153","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H27 N3 Ni S2 -","- C13 H27 N3 Ni S2 -","- C52 H108 N12 Ni4 S8 -","4","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.077","","","","0.2237","","","","","","0.958","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078708","7.941","0.004","21.451","0.011","24.46","0.012","90","","90","","90","","4167","4","153","","153","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl F3 N3 Ni O6 Rh S4 -","- C32 H52 Cl F3 N3 Ni O6 Rh S4 -","- C128 H208 Cl4 F12 N12 Ni4 O24 Rh4 S16 -","4","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.7107","MoKα","","","0.0701","","","","0.2016","","","","","","1.069","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078709","26.689","0.015","53.49","0.03","8.506","0.005","90","","90","","90","","12143","12","393","","393","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C23 H42 Cl F6 N3 Ni P Rh S2 -","- C23 H42 Cl F6 N3 Ni P Rh S2 -","- C368 H672 Cl16 F96 N48 Ni16 P16 Rh16 S32 -","16","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.0558","","","","0.1476","","","","","","1.096","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078710","15.9358","0.0008","15.9913","0.001","26.273","0.0018","90","","90","","90","","6695.3","0.7","153","","153","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H42 N5 Ni O8 Rh S3 -","- C27 H42 N5 Ni O8 Rh S3 -","- C216 H336 N40 Ni8 O64 Rh8 S24 -","8","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.064","","","","0.1807","","","","","","1.182","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078711","10.1751","0.0015","18.314","0.002","18.8668","0.0019","102.06","0.003","97.969","0.005","99.346","0.007","3337.8","0.7","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H46 N4 Ni O6.5 Rh S3 -","- C27 H43 N4 Ni O6.5 Rh S3 -","- C108 H172 N16 Ni4 O26 Rh4 S12 -","4","2","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.0497","","","","0.1585","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078712","8.406","0.003","13.931","0.005","14.394","0.005","111.789","0.002","95.614","0.0018","101.892","0.005","1503.1","0.9","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H46 N4 Ni O4.5 Rh S2 -","- C23 H43 N4 Ni O4.5 Rh S2 -","- C46 H86 N8 Ni2 O9 Rh2 S4 -","2","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.0475","","","","0.1395","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078713","5.8929","0.0002","18.3495","0.0005","12.4034","0.0003","90","","95.514","0.001","90","","1335","0.07","103","0.1","103","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Fe I O2 -","- C14 H15 Fe I O2 -","- C56 H60 Fe4 I4 O8 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Cawthray, Jacqueline F.; de Kock, Carmen; Patrick, Brian O.; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine Conjugates as Potential Antimalarials","Organometallics","2012","31","16","5736","","10.1021/om300354x","","","0.71073","MoKα","","0.0282","0.0228","","","0.0525","0.0542","","","","","","1.065","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078714","5.948","0.0002","9.7074","0.0003","24.3424","0.0008","90","","94.119","0.002","90","","1401.89","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Fe O4 -","- C16 H18 Fe O4 -","- C64 H72 Fe4 O16 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Cawthray, Jacqueline F.; de Kock, Carmen; Patrick, Brian O.; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine Conjugates as Potential Antimalarials","Organometallics","2012","31","16","5736","","10.1021/om300354x","","","0.71073","MoKα","","0.0336","0.0274","","","0.0657","0.0685","","","","","","1.023","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078715","5.7821","0.0002","16.7659","0.0007","25.3783","0.001","90","","90","","90","","2460.23","0.16","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Fe O8 -","- C26 H34 Fe O8 -","- C104 H136 Fe4 O32 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Cawthray, Jacqueline F.; de Kock, Carmen; Patrick, Brian O.; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine Conjugates as Potential Antimalarials","Organometallics","2012","31","16","5736","","10.1021/om300354x","","","0.71073","MoKα","","0.0413","0.0317","","","0.0634","0.0669","","","","","","1.001","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078716","8.8628","0.0004","17.134","0.009","17.435","0.009","90","","101.76","0.02","90","","2592","1.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Mo N3 O9 -","- C21 H27 Mo N3 O9 -","- C84 H108 Mo4 N12 O36 -","4","1","","Marques, Ana R.; Kromer, Lukas; Gallo, David J.; Penacho, Nuno; Rodrigues, Sandra S.; Seixas, João D.; Bernardes, Gonçalo J. L.; Reis, Patrícia M.; Otterbein, Sherrie L.; Ruggieri, Rachel A.; Gonçalves, Ana S. G.; Gonçalves, Ana M. L.; Matos, Marta N. De; Bento, Isabel; Otterbein, Leo E.; Blättler, Walter A.; Romão, Carlos C.","Generation of Carbon Monoxide Releasing Molecules (CO-RMs) as Drug Candidates for the Treatment of Acute Liver Injury: Targeting of CO-RMs to the Liver","Organometallics","2012","31","16","5810","","10.1021/om300360c","","","0.71073","MoKα","","0.0232","0.0195","","","0.0554","0.0581","","","","","","0.941","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078717","15.179","0.014","15.179","","47.282","0.005","90","","90","","120","","9434","9","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H42 Mo2 N6 O28 -","- C36 H42 Mo2 N6 O27.98 -","- C216 H252 Mo12 N36 O167.88 -","6","0.166667","","Marques, Ana R.; Kromer, Lukas; Gallo, David J.; Penacho, Nuno; Rodrigues, Sandra S.; Seixas, João D.; Bernardes, Gonçalo J. L.; Reis, Patrícia M.; Otterbein, Sherrie L.; Ruggieri, Rachel A.; Gonçalves, Ana S. G.; Gonçalves, Ana M. L.; Matos, Marta N. De; Bento, Isabel; Otterbein, Leo E.; Blättler, Walter A.; Romão, Carlos C.","Generation of Carbon Monoxide Releasing Molecules (CO-RMs) as Drug Candidates for the Treatment of Acute Liver Injury: Targeting of CO-RMs to the Liver","Organometallics","2012","31","16","5810","","10.1021/om300360c","","","0.71073","MoKα","","0.0883","0.0688","","","0.2212","0.2434","","","","","","1.079","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078718","6.339","0.0002","11.9879","0.0003","15.194","0.0004","90","","99.009","0.001","90","","1140.37","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Br Fe N O3 S2 -","- C6 H6 Br Fe N O3 S2 -","- C24 H24 Br4 Fe4 N4 O12 S8 -","4","1","","Hewison, Lindsay; Crook, Sian H.; Mann, Brian E.; Meijer, Anthony J. H. M.; Adams, Harry; Sawle, Philip; Motterlini, Roberto A.","New Types of CO-Releasing Molecules (CO-RMs), Based on Iron Dithiocarbamate Complexes and [Fe(CO)3I(S2COEt)]","Organometallics","2012","31","16","5823","","10.1021/om3003637","","","0.71073","MoKα","","0.0311","0.0225","","","0.0533","0.0565","","","","","","1.042","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078719","6.2394","0.0006","25.384","0.003","9.7914","0.001","90","","95.476","0.002","90","","1543.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Fe I2 N O3 S2 -","- C8 H10 Fe I2 N O3 S2 -","- C32 H40 Fe4 I8 N4 O12 S8 -","4","1","","Hewison, Lindsay; Crook, Sian H.; Mann, Brian E.; Meijer, Anthony J. H. M.; Adams, Harry; Sawle, Philip; Motterlini, Roberto A.","New Types of CO-Releasing Molecules (CO-RMs), Based on Iron Dithiocarbamate Complexes and [Fe(CO)3I(S2COEt)]","Organometallics","2012","31","16","5823","","10.1021/om3003637","","","0.71073","MoKα","","0.0285","0.0246","","","0.0594","0.0611","","","","","","1.001","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078720","16.233","0.002","21.0315","0.0009","20.908","0.003","90","","111.963","0.017","90","","6620","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H60 Cl3 N5 P2 Ru2 -","- C77 H60 Cl3 N5 P2 Ru2 -","- C308 H240 Cl12 N20 P8 Ru8 -","4","1","","Bruce, Michael I.; Skelton, Brian W.; Zaitseva, Natasha N.","A Ruthenated [3]Dendralene from Phenylethyne and an η3-Butadienyl‒Ruthenium Complex","Organometallics","2012","31","14","5034","","10.1021/om300366g","","","0.71073","MoKα","","0.1328","0.0568","","","0.1127","0.1289","","","","","","0.902","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078721","14.029","0.002","20.6924","0.0017","24.0829","0.0019","90","","90","","90","","6991.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H69 N5 P2 Ru2 -","- C87 H69 N5 P2 Ru2 -","- C348 H276 N20 P8 Ru8 -","4","1","","Bruce, Michael I.; Skelton, Brian W.; Zaitseva, Natasha N.","A Ruthenated [3]Dendralene from Phenylethyne and an η3-Butadienyl‒Ruthenium Complex","Organometallics","2012","31","14","5034","","10.1021/om300366g","","","0.71073","MoKα","","0.0756","0.0439","","","0.0535","0.0574","","","","","","0.789","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078722","11.884","0.006","17.73","0.009","23","0.011","90","","91.846","0.006","90","","4844","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 O4.5 P2 Pd2 -","- C54 H50 O4.5 P2 Pd2 -","- C216 H200 O18 P8 Pd8 -","4","1","","Wakioka, Masayuki; Nakamura, Yuki; Wang, Qifeng; Ozawa, Fumiyuki","Direct Arylation of 2-Methylthiophene with Isolated [PdAr(μ-O2CR)(PPh3)]nComplexes: Kinetics and Mechanism","Organometallics","2012","31","13","4810","","10.1021/om300367k","","x-ray","0.7107","MoKα","","0.1172","0.0926","","","0.222","0.2411","","","","","","1.172","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078723","20.13","0.007","20.13","0.007","14.315","0.005","90","","90","","90","","5801","3","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C114 H112 Cl4 O8 P4 Pd4 -","- C114 H112 Cl4 O8 P4 Pd4 -","- C228 H224 Cl8 O16 P8 Pd8 -","2","0.25","","Wakioka, Masayuki; Nakamura, Yuki; Wang, Qifeng; Ozawa, Fumiyuki","Direct Arylation of 2-Methylthiophene with Isolated [PdAr(μ-O2CR)(PPh3)]nComplexes: Kinetics and Mechanism","Organometallics","2012","31","13","4810","","10.1021/om300367k","","x-ray","0.7107","MoKα","","0.1031","0.0862","","","0.2027","0.2147","","","","","","1.12","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078724","13.6884","0.0013","18.0387","0.0018","23","0.002","90","","98.4273","0.0016","90","","5617.9","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H60 Cl2 O4 P2 Pd2 -","- C59 H60 Cl2 O4 P2 Pd2 -","- C236 H240 Cl8 O16 P8 Pd8 -","4","0.5","","Wakioka, Masayuki; Nakamura, Yuki; Wang, Qifeng; Ozawa, Fumiyuki","Direct Arylation of 2-Methylthiophene with Isolated [PdAr(μ-O2CR)(PPh3)]nComplexes: Kinetics and Mechanism","Organometallics","2012","31","13","4810","","10.1021/om300367k","","x-ray","0.7107","MoKα","","0.038","0.0357","","","0.1058","0.1078","","","","","","1.056","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078725","17.1047","0.0013","19.2401","0.0014","29.473","0.002","90","","90","","90","","9699.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H76 N3 O2 Si Y -","- C49 H76 N3 O2 Si Y -","- C392 H608 N24 O16 Si8 Y8 -","8","1","","Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene","Organometallics","2012","31","15","5349","","10.1021/om300377h","","","0.71073","MoKα","","0.1653","0.0615","","","0.1048","0.125","","","","","","0.867","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078726","41.4345","0.0011","15.4298","0.0004","26.6797","0.0007","90","","128.25","0.001","90","","13395.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H89 N6 Y -","- C70 H89 N6 Y -","- C560 H712 N48 Y8 -","8","1","","Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene","Organometallics","2012","31","15","5349","","10.1021/om300377h","","","0.71073","MoKα","","0.1112","0.061","","","0.1478","0.1657","","","","","","0.978","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078727","14.0702","0.0014","14.8777","0.0016","16.2464","0.0017","111.528","0.002","94.874","0.002","105.769","0.002","2979.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H94 N3 O2 Y -","- C65 H94 N3 O2 Y -","- C130 H188 N6 O4 Y2 -","2","1","","Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene","Organometallics","2012","31","15","5349","","10.1021/om300377h","","","0.71073","MoKα","","0.0902","0.0538","","","0.1103","0.1204","","","","","","1.022","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078728","12.5802","0.0004","27.1104","0.0009","24.6206","0.0008","90","","97.372","0.001","90","","8327.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C96 H112 N4 Y2 -","- C96 H112 N4 Y2 -","- C384 H448 N16 Y8 -","4","1","","Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene","Organometallics","2012","31","15","5349","","10.1021/om300377h","","","0.71073","MoKα","","0.174","0.0704","","","0.1253","0.1462","","","","","","0.996","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078729","11.779","0.0002","18.578","0.0003","16.5703","0.0003","90","","102.245","0.0007","90","","3543.58","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 N O Ru3 -","- C37 H49 N O0.5 Ru3 -","- C148 H196 N4 O2 Ru12 -","4","1","","Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu","Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands","Organometallics","2012","31","13","4817","","10.1021/om300379d","","","0.71069","MoKα","","0.042","0.0397","","","0.1004","0.1021","","","","","","1.044","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078730","8.8245","0.0007","11.0624","0.0008","20.5986","0.0016","78.9596","0.0019","77.611","0.002","72.0478","0.0019","1851.3","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H57 N O2 Ru3 -","- C38 H57 N O2 Ru3 -","- C76 H114 N2 O4 Ru6 -","2","1","","Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu","Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands","Organometallics","2012","31","13","4817","","10.1021/om300379d","","","0.71069","MoKα","","0.0555","0.0374","","","0.0778","0.086","","","","","","1.022","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078731","8.7652","0.0005","10.8209","0.0007","19.2871","0.001","77.339","0.0015","77.769","0.0014","74.723","0.0014","1698.54","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H55 N O2 Ru3 -","- C37 H33 N O2 Ru3 -","- C74 H66 N2 O4 Ru6 -","2","1","","Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu","Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands","Organometallics","2012","31","13","4817","","10.1021/om300379d","","","0.71069","MoKα","","0.1255","0.0573","","","0.1262","0.1877","","","","","","1.118","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078732","8.742","0.002","11.06","0.003","19.935","0.005","78.759","0.01","80.239","0.009","73.723","0.009","1801.1","0.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H57 N O2 Ru3 -","- C38 H32 N O2 Ru3 -","- C76 H64 N2 O4 Ru6 -","2","1","","Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu","Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands","Organometallics","2012","31","13","4817","","10.1021/om300379d","","","0.71069","MoKα","","0.1063","0.0741","","","0.1849","0.2032","","","","","","1.209","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078733","10.86","0.004","10.789","0.003","16.04","0.005","92.581","0.012","97.913","0.014","113.972","0.012","1690.3","1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H53 N Ru3 -","- C36 H52 N Ru3 -","- C72 H104 N2 Ru6 -","2","1","","Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu","Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands","Organometallics","2012","31","13","4817","","10.1021/om300379d","","","0.71069","MoKα","","0.057","0.0403","","","0.0914","0.1082","","","","","","1.055","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078734","22.7341","0.0011","18.8043","0.0008","20.4728","0.0008","90","","124.293","0.0013","90","","7230.7","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H52 B F4 N Ru3 -","- C35 H52 B F4 N Ru3 -","- C280 H416 B8 F32 N8 Ru24 -","8","1","","Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu","Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands","Organometallics","2012","31","13","4817","","10.1021/om300379d","","","0.71069","MoKα","","0.0616","0.053","","","0.1355","0.1415","","","","","","1.039","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078735","11.5539","0.0017","13.726","0.003","17.284","0.004","70.873","0.01","86.569","0.01","81.514","0.01","2561.2","0.9","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H76 B N Ru3 -","- C60 H76 B N Ru3 -","- C120 H152 B2 N2 Ru6 -","2","1","","Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu","Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands","Organometallics","2012","31","13","4817","","10.1021/om300379d","","","0.71069","MoKα","","0.0273","0.0244","","","0.0597","0.0612","","","","","","1.043","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078736","23.0836","0.0003","9.2876","0.0001","18.8179","0.0002","90","","95.94","0.001","90","","4012.73","0.08","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[Pd(dppe)(H2O)2](OTs)2","","- C40 H42 O8 P2 Pd S2 -","- C40 H42 O8 P2 Pd S2 -","- C160 H168 O32 P8 Pd4 S8 -","4","1","","Oberhauser, Werner; Ienco, Andrea; Vizza, Francesco; Trettenbrein, Barbara; Oberhuber, Dennis; Strabler, Christof; Ortner, Teresa; Brüggeller, Peter","Regioselective Hydromethoxycarbonylation of Terminal Alkynes Catalyzed by Palladium(II)‒Tetraphos Complexes","Organometallics","2012","31","13","4832","","10.1021/om3003812","","","0.71073","MoKα","","0.0239","0.0226","","","0.0534","0.0541","","","","","","1.048","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078737","11.4567","0.0004","12.3501","0.0004","12.3652","0.0005","73.181","0.003","84.086","0.003","76.133","0.003","1624.85","0.11","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","[Pd2(CH3)2Cl2(dppcb)]","","- C66 H78 Cl2 N4 O4 P4 Pd2 -","- C66 H78 Cl2 N4 O4 P4 Pd2 -","- C66 H78 Cl2 N4 O4 P4 Pd2 -","1","0.5","","Oberhauser, Werner; Ienco, Andrea; Vizza, Francesco; Trettenbrein, Barbara; Oberhuber, Dennis; Strabler, Christof; Ortner, Teresa; Brüggeller, Peter","Regioselective Hydromethoxycarbonylation of Terminal Alkynes Catalyzed by Palladium(II)‒Tetraphos Complexes","Organometallics","2012","31","13","4832","","10.1021/om3003812","","","1.5418","CuKα","","0.052","0.0466","","","0.1354","0.1448","","","","","","1.14","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078738","34.4649","0.0002","10.3378","0.0003","24.0599","0.0003","90","","131.823","0.0009","90","","6388.2","0.2","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Pd2(allyl)2(dppcb)](PF6)2","","- C59 H54 Cl2 F12 P6 Pd2 -","- C59 H54 Cl2 F12 P6 Pd2 -","- C236 H216 Cl8 F48 P24 Pd8 -","4","0.5","","Oberhauser, Werner; Ienco, Andrea; Vizza, Francesco; Trettenbrein, Barbara; Oberhuber, Dennis; Strabler, Christof; Ortner, Teresa; Brüggeller, Peter","Regioselective Hydromethoxycarbonylation of Terminal Alkynes Catalyzed by Palladium(II)‒Tetraphos Complexes","Organometallics","2012","31","13","4832","","10.1021/om3003812","","","0.71073","MoKα","","0.0448","0.0367","","","0.0903","0.0995","","","","","","1.014","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078739","11.5785","0.0002","18.7728","0.0003","19.227","0.0003","90","","105.147","0.002","90","","4034.01","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Pd(meso-dppb)(H2O)2](OTs)2","","- C42 H46 O8 P2 Pd S2 -","- C42 H46 O8 P2 Pd S2 -","- C168 H184 O32 P8 Pd4 S8 -","4","1","","Oberhauser, Werner; Ienco, Andrea; Vizza, Francesco; Trettenbrein, Barbara; Oberhuber, Dennis; Strabler, Christof; Ortner, Teresa; Brüggeller, Peter","Regioselective Hydromethoxycarbonylation of Terminal Alkynes Catalyzed by Palladium(II)‒Tetraphos Complexes","Organometallics","2012","31","13","4832","","10.1021/om3003812","","","0.71073","MoKα","","0.0483","0.0335","","","0.0725","0.0791","","","","","","1.028","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078740","9.4063","0.0013","15.1759","0.0018","15.648","0.003","85.993","0.011","74.259","0.013","78.082","0.012","2103.4","0.6","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 Fe O2.5 -","- C26 H22 Fe O2.5 -","- C104 H88 Fe4 O10 -","4","2","","Görmen, Meral; Pigeon, Pascal; Hillard, Elizabeth A.; Vessières, Anne; Huché, Michel; Richard, Marie-Aude; McGlinchey, Michael J.; Top, Siden; Jaouen, Gérard","Synthesis and Antiproliferative Effects of [3]Ferrocenophane Transposition Products and Pinacols Obtained from McMurry Cross-Coupling Reactions","Organometallics","2012","31","16","5856","","10.1021/om300382h","","","0.71073","MoKα","","0.1132","0.0654","","0.2083","0.1762","0.2083","","","","","","0.9575","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078741","12.9557","0.0014","9.4401","0.0008","17.11","0.002","90","","109.949","0.007","90","","1967","0.4","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Fe O -","- C26 H22 Fe O -","- C104 H88 Fe4 O4 -","4","1","","Görmen, Meral; Pigeon, Pascal; Hillard, Elizabeth A.; Vessières, Anne; Huché, Michel; Richard, Marie-Aude; McGlinchey, Michael J.; Top, Siden; Jaouen, Gérard","Synthesis and Antiproliferative Effects of [3]Ferrocenophane Transposition Products and Pinacols Obtained from McMurry Cross-Coupling Reactions","Organometallics","2012","31","16","5856","","10.1021/om300382h","","","0.71073","MoKα","","0.0849","0.0435","","0.1058","0.0893","0.1058","","","","","","0.8948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078742","8.1136","0.0006","19.4485","0.0013","12.648","0.001","90","","104.028","0.007","90","","1936.3","0.3","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Fe2 O2 -","- C26 H26 Fe2 O2 -","- C104 H104 Fe8 O8 -","4","1","","Görmen, Meral; Pigeon, Pascal; Hillard, Elizabeth A.; Vessières, Anne; Huché, Michel; Richard, Marie-Aude; McGlinchey, Michael J.; Top, Siden; Jaouen, Gérard","Synthesis and Antiproliferative Effects of [3]Ferrocenophane Transposition Products and Pinacols Obtained from McMurry Cross-Coupling Reactions","Organometallics","2012","31","16","5856","","10.1021/om300382h","","","0.71073","MoKα","","0.0468","0.029","","0.0742","0.0669","0.0742","","","","","","0.9207","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078743","13.258","0.003","15.273","0.003","14.915","0.003","90","","106.07","0.03","90","","2902.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl2 Fe N3 -","- C27 H29 Cl2 Fe N3 -","- C108 H116 Cl8 Fe4 N12 -","4","1","","Zhang, Wenjuan; Chai, Wenbin; Sun, Wen-Hua; Hu, Xinquan; Redshaw, Carl; Hao, Xiang","2-(1-(Arylimino)ethyl)-8-arylimino-5,6,7-trihydroquinoline Iron(II) Chloride Complexes: Synthesis, Characterization, and Ethylene Polymerization Behavior","Organometallics","2012","31","14","5039","","10.1021/om300388m","","","0.71073","MoKα","","","0.0735","","","0.204","0.2188","","","","","","1.06","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078744","18.586","0.004","8.6751","0.0017","18.151","0.004","90","","99.69","0.03","90","","2884.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Cl2 Fe N3 -","- C31 H36.106 Cl2 Fe N3 -","- C124 H144.424 Cl8 Fe4 N12 -","4","1","","Zhang, Wenjuan; Chai, Wenbin; Sun, Wen-Hua; Hu, Xinquan; Redshaw, Carl; Hao, Xiang","2-(1-(Arylimino)ethyl)-8-arylimino-5,6,7-trihydroquinoline Iron(II) Chloride Complexes: Synthesis, Characterization, and Ethylene Polymerization Behavior","Organometallics","2012","31","14","5039","","10.1021/om300388m","","","0.71073","MoKα","","","0.0734","","","0.1756","0.1892","","","","","","1.077","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078745","28.118","0.001","33.105","0.001","18.385","0.001","90","","90","0.001","90","","17113.6","1.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Li2 N2 O P2 -","- C48 H54 Li2 N2 O P2 -","- C768 H864 Li32 N32 O16 P32 -","16","4","","Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François","Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene","Organometallics","2012","31","13","4854","","10.1021/om300389v","","","0.71069","MoKα","","0.088","0.0574","","","0.139","0.1563","","","","","","0.989","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078746","10.637","0.001","11.054","0.001","21.721","0.001","80.508","0.001","79.326","0.001","62.992","0.001","2226.5","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 Li2 N2 O2 P2 -","- C50 H58 Li2 N2 O2 P2 -","- C100 H116 Li4 N4 O4 P4 -","2","1","","Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François","Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene","Organometallics","2012","31","13","4854","","10.1021/om300389v","","","0.71069","MoKα","","0.0718","0.0501","","","0.141","0.1526","","","","","","1.084","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078747","11.164","0.001","19.772","0.001","19.576","0.001","90","","101.293","0.001","90","","4237.4","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Li2 N2 O P2 -","- C48 H56 Li2 N2 O P2 -","- C192 H224 Li8 N8 O4 P8 -","4","1","","Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François","Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene","Organometallics","2012","31","13","4854","","10.1021/om300389v","","","0.71069","MoKα","","0.0678","0.0461","","","0.1251","0.1361","","","","","","1.072","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078748","17.258","0.001","11.338","0.001","26.404","0.001","90","","115.468","0.003","90","","4664.5","0.5","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H59 Cl4 Li2 N O4.5 P Si Y -","- C37 H55 Cl4 Li2 N O4 P Si Y -","- C148 H220 Cl16 Li8 N4 O16 P4 Si4 Y4 -","4","1","","Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François","Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene","Organometallics","2012","31","13","4854","","10.1021/om300389v","","","0.71069","MoKα","","0.0671","0.0498","","","0.1009","0.1095","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078749","19.475","0.001","9.673","0.001","25.108","0.001","90","","103.016","0.001","90","","4608.4","0.6","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cl N2 O2 P2 Y -","- C50 H58 Cl N2 O2 P2 Y -","- C200 H232 Cl4 N8 O8 P8 Y4 -","4","1","","Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François","Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene","Organometallics","2012","31","13","4854","","10.1021/om300389v","","","0.71069","MoKα","","0.0806","0.0423","","","0.089","0.0989","","","","","","1.013","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078750","13.147","0.001","15.142","0.001","18.314","0.001","88.807","0.001","70.318","0.001","85.995","0.001","3424.4","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C73 H77 N3 Nd P3 -","- C66 H69 N3 Nd P3 -","- C132 H138 N6 Nd2 P6 -","2","1","","Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François","Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene","Organometallics","2012","31","13","4854","","10.1021/om300389v","","","0.71069","MoKα","","0.0553","0.0487","","","0.1196","0.1244","","","","","","1.117","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078751","13.154","0.001","15.279","0.001","18.133","0.001","88.449","0.001","69.426","0.001","84.688","0.001","3397.2","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C77 H85 La N3 O P3 -","- C66 H69 La N3 P3 -","- C132 H138 La2 N6 P6 -","2","1","","Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François","Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene","Organometallics","2012","31","13","4854","","10.1021/om300389v","","","0.71069","MoKα","","0.0549","0.0474","","","0.1207","0.126","","","","","","1.076","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078752","9.5834","0.0009","15.1988","0.0014","16.8616","0.0015","90","","90","","90","","2456","0.4","90","0.1","90","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 F6 Fe N O4 -","- C27 H23 F6 Fe N O4 -","- C108 H92 F24 Fe4 N4 O16 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; Kock, Carmen de; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents","Organometallics","2012","31","16","5748","","10.1021/om300392q","","","0.71073","MoKα","","0.0329","0.027","","","0.0615","0.0638","","","","","","1.018","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078753","7.8812","0.0007","10.6659","0.001","23.064","0.002","90","","90","","90","","1938.8","0.3","90","0.1","90","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H13 F6 Fe N O2 -","- C22 H13 F6 Fe N O2 -","- C88 H52 F24 Fe4 N4 O8 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; Kock, Carmen de; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents","Organometallics","2012","31","16","5748","","10.1021/om300392q","","","0.71073","MoKα","","0.0356","0.0294","","","0.0697","0.0724","","","","","","1.025","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078754","22.5656","0.0019","22.671","0.002","7.5829","0.0007","90","","90","","90","","3879.3","0.6","90","0.1","90","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C45 H39 Cl2 Fe2 N2 O4 -","- C45 H39 Cl2 Fe2 N2 O4 -","- C180 H156 Cl8 Fe8 N8 O16 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; Kock, Carmen de; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents","Organometallics","2012","31","16","5748","","10.1021/om300392q","","","0.71073","MoKα","","0.0437","0.0355","","","0.0821","0.0856","","","","","","1.05","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078755","10.5639","0.0002","15.183","0.0003","13.6404","0.0003","90","","97.504","0.001","90","","2169.07","0.08","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 F6 Fe N O3 -","- C25 H19 F6 Fe N O3 -","- C100 H76 F24 Fe4 N4 O12 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; Kock, Carmen de; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents","Organometallics","2012","31","16","5748","","10.1021/om300392q","","","0.71073","MoKα","","0.0401","0.03","","","0.0648","0.0686","","","","","","1.035","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078756","7.6745","0.0004","10.6388","0.0004","23.4651","0.0009","90","","95.058","0.002","90","","1908.41","0.14","90","0.1","90","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F6 Fe N O2 -","- C22 H13 F6 Fe N O2 -","- C88 H52 F24 Fe4 N4 O8 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; Kock, Carmen de; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents","Organometallics","2012","31","16","5748","","10.1021/om300392q","","","0.71073","MoKα","","0.0757","0.0532","","","0.1374","0.1503","","","","","","1.092","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078757","6.6256","0.0003","11.4304","0.0006","20.0706","0.001","95.927","0.001","94.45","0.001","95.064","0.001","1500.21","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H76 N4 Na4 O27 S8 Zn2 -","- C29 H73 N4 Na4 O27 S8 Zn2 -","- C29 H73 N4 Na4 O27 S8 Zn2 -","1","0.5","","Lecina, J.; Carrer, A.; Álvarez-Larena, A.; Mazzi, U.; Melendez-Alafort, L.; Suades, J.","New Bioconjugated Rhenium Carbonyls by Transmetalation Reaction with Zinc Derivatives","Organometallics","2012","31","16","5884","","10.1021/om300394v","","","0.71073","MoKα","","0.0382","0.0321","","","0.0847","0.0882","","","","","","1.042","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078758","14.919","0.003","11.373","0.003","18.544","0.004","90","","92.24","0.004","90","","3144","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 N11 O16 S8 Zn2 -","- C50 H61 N11 O16 S8 Zn2 -","- C100 H122 N22 O32 S16 Zn4 -","2","0.5","","Lecina, J.; Carrer, A.; Álvarez-Larena, A.; Mazzi, U.; Melendez-Alafort, L.; Suades, J.","New Bioconjugated Rhenium Carbonyls by Transmetalation Reaction with Zinc Derivatives","Organometallics","2012","31","16","5884","","10.1021/om300394v","","","0.71073","MoKα","","0.2548","0.1037","","","0.1618","0.2094","","","","","","0.97","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078759","21.3425","0.0015","10.2797","0.0007","31.001","0.002","90","","100.394","0.002","90","","6689.8","0.8","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 O6 P Re S2 -","- C32 H32 N2 O6 P Re S2 -","- C256 H256 N16 O48 P8 Re8 S16 -","8","2","","Lecina, J.; Carrer, A.; Álvarez-Larena, A.; Mazzi, U.; Melendez-Alafort, L.; Suades, J.","New Bioconjugated Rhenium Carbonyls by Transmetalation Reaction with Zinc Derivatives","Organometallics","2012","31","16","5884","","10.1021/om300394v","","","0.71073","MoKα","","0.1906","0.073","","","0.0942","0.1219","","","","","","0.937","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078760","13.3812","0.0011","7.5998","0.0007","17.7777","0.0015","90","","111.504","0.001","90","","1682","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N Rh -","- C21 H24 N Rh -","- C84 H96 N4 Rh4 -","4","1","","Hu, Yue; Li, Ling; Shaw, Anthony P.; Norton, Jack R.; Sattler, Wesley; Rong, Yi","Synthesis, Electrochemistry, and Reactivity of New Iridium(III) and Rhodium(III) Hydrides","Organometallics","2012","31","14","5058","","10.1021/om300398r","","","0.71073","MoKα","","0.0529","0.034","","","0.0716","0.0782","","","","","","1.042","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078761","13.3885","0.0011","7.5832","0.0006","17.8084","0.0014","90","","111.513","0.001","90","","1682.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Ir N -","- C21 H24 Ir N -","- C84 H96 Ir4 N4 -","4","1","","Hu, Yue; Li, Ling; Shaw, Anthony P.; Norton, Jack R.; Sattler, Wesley; Rong, Yi","Synthesis, Electrochemistry, and Reactivity of New Iridium(III) and Rhodium(III) Hydrides","Organometallics","2012","31","14","5058","","10.1021/om300398r","","","0.71073","MoKα","","0.0493","0.0308","","","0.0555","0.0612","","","","","","1.021","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078762","23.252","0.002","13.3085","0.0012","15.6748","0.0014","90","","101.991","0.001","90","","4744.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F6 N2 P Rh -","- C23 H26 F6 N2 P Rh -","- C184 H208 F48 N16 P8 Rh8 -","8","2","","Hu, Yue; Li, Ling; Shaw, Anthony P.; Norton, Jack R.; Sattler, Wesley; Rong, Yi","Synthesis, Electrochemistry, and Reactivity of New Iridium(III) and Rhodium(III) Hydrides","Organometallics","2012","31","14","5058","","10.1021/om300398r","","","0.71073","MoKα","","0.0557","0.0364","","","0.0781","0.0861","","","","","","1.023","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078763","23.294","0.002","13.2622","0.0012","15.6968","0.0015","90","","101.878","0.001","90","","4745.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F6 Ir N2 P -","- C23 H26 F6 Ir N2 P -","- C184 H208 F48 Ir8 N16 P8 -","8","2","","Hu, Yue; Li, Ling; Shaw, Anthony P.; Norton, Jack R.; Sattler, Wesley; Rong, Yi","Synthesis, Electrochemistry, and Reactivity of New Iridium(III) and Rhodium(III) Hydrides","Organometallics","2012","31","14","5058","","10.1021/om300398r","","","0.71073","MoKα","","0.0564","0.0331","","","0.0643","0.0721","","","","","","1.009","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078764","19.215","0.004","9.0535","0.0018","23.233","0.005","90","","108.52","0.03","90","","3832.4","1.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Br N5 Ni -","- C38 H54 Br N5 Ni -","- C152 H216 Br4 N20 Ni4 -","4","1","","Zell, Thomas; Fischer, Peter; Schmidt, David; Radius, Udo","C‒Br Activation of Aryl Bromides at Ni0(NHC)2: Stoichiometric Reactions, Catalytic Application in Suzuki‒Miyaura Cross-Coupling, and Catalyst Degradation","Organometallics","2012","31","14","5065","","10.1021/om300399j","","","0.71073","MoKα","","0.0647","0.0492","","","0.1104","0.1169","","","","","","1.091","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078765","21.236","0.004","20.872","0.004","16.673","0.003","90","","106.39","0.03","90","","7090","3","203","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Br4 N4 Ni -","- C30 H42 Br4 N4 Ni -","- C240 H336 Br32 N32 Ni8 -","8","2","","Zell, Thomas; Fischer, Peter; Schmidt, David; Radius, Udo","C‒Br Activation of Aryl Bromides at Ni0(NHC)2: Stoichiometric Reactions, Catalytic Application in Suzuki‒Miyaura Cross-Coupling, and Catalyst Degradation","Organometallics","2012","31","14","5065","","10.1021/om300399j","","","0.71073","MoKα","","0.102","0.0816","","","0.2208","0.237","","","","","","1.068","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078766","8.0443","0.0001","10.6437","0.0002","14.8659","0.001","97.741","0.007","91.333","0.006","97.375","0.007","1249.74","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H39 N2 O3.5 P Ru -","- C23 H39 N2 O3.5 P Ru -","- C46 H78 N4 O7 P2 Ru2 -","2","1","","Huff, Chelsea A.; Kampf, Jeff W.; Sanford, Melanie S.","Role of a Noninnocent Pincer Ligand in the Activation of CO2at (PNN)Ru(H)(CO)","Organometallics","2012","31","13","4643","","10.1021/om300403b","","","1.54178","CuKα","","0.0302","0.0295","","","0.0809","0.0816","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078767","11.0288","0.0005","16.9223","0.0007","18.77","0.0007","90","","105.523","0.002","90","","3375.3","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H41 Cl N O1.5 P Pd -","- C39 H41 Cl N O1.5 P Pd -","- C156 H164 Cl4 N4 O6 P4 Pd4 -","4","2","","Huang, Yinhua; Pullarkat, Sumod A.; Teong, Siewping; Chew, Renta Jonathan; Li, Yongxin; Leung, Pak-Hing","Palladacycle-Catalyzed Asymmetric Intermolecular Construction of Chiral Tertiary P-Heterocycles by Stepwise Addition of H‒P‒H Bonds to Bis(enones)","Organometallics","2012","31","13","4871","","10.1021/om300405h","","","0.71073","MoKα","","0.1183","0.0623","","","0.1389","0.1763","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078768","15.523","0.003","19.47","0.004","22.098","0.005","90","","90","","90","","6679","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 B2 Cl O4 Os P2 -","- C30 H51 B2 Cl O4 Os P2 -","- C240 H408 B16 Cl8 O32 Os8 P16 -","8","2","","Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique","Preparation, Structure, Bonding, and Preliminary Reactivity of a Six-Coordinate d4Osmium‒Boryl Complex","Organometallics","2012","31","13","4646","","10.1021/om300407d","","","0.71073","MoKα","","0.0527","0.0451","","","0.0735","0.0756","","","","","","1.146","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078769","11.2704","0.0006","15.3793","0.0009","17.3091","0.001","90","","90","","90","","3000.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 B Cl O4 Os P2 -","- C26 H46 B Cl O4 Os P2 -","- C104 H184 B4 Cl4 O16 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique","Preparation, Structure, Bonding, and Preliminary Reactivity of a Six-Coordinate d4Osmium‒Boryl Complex","Organometallics","2012","31","13","4646","","10.1021/om300407d","","","0.71073","MoKα","","0.039","0.0288","","","0.0517","0.0541","","","","","","1.056","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078770","16.246","0.003","10.8358","0.0018","16.886","0.003","90","","106.226","0.002","90","","2854.2","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H46 B Cl O3 Os P2 -","- C25 H46 B Cl O3 Os P2 -","- C100 H184 B4 Cl4 O12 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique","Preparation, Structure, Bonding, and Preliminary Reactivity of a Six-Coordinate d4Osmium‒Boryl Complex","Organometallics","2012","31","13","4646","","10.1021/om300407d","","","0.71073","MoKα","","0.1107","0.051","","","0.0921","0.1148","","","","","","0.967","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078771","9.4821","0.0008","11.2068","0.001","25.015","0.002","78.843","0.002","89.461","0.002","83.898","0.002","2593","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H15 F35 Mo N O2 -","- C57 H15 F35 Mo N O2 -","- C114 H30 F70 Mo2 N2 O4 -","2","1","","Yuan, Jian; Schrock, Richard R.; Müller, Peter; Axtell, Jonathan C.; Dobereiner, Graham E.","Pentafluorophenylimido Alkylidene Complexes of Molybdenum and Tungsten","Organometallics","2012","31","13","4650","","10.1021/om300408n","","","0.71073","MoKα","","0.0506","0.0384","","","0.0875","0.0938","","","","","","1.036","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078772","6.5813","0.0003","17.0135","0.0008","21.0551","0.0009","90","","98.086","0.001","90","","2334.12","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H6 F23 N O2 W -","- C17 H6 F23 N O2 W -","- C68 H24 F92 N4 O8 W4 -","4","1","","Yuan, Jian; Schrock, Richard R.; Müller, Peter; Axtell, Jonathan C.; Dobereiner, Graham E.","Pentafluorophenylimido Alkylidene Complexes of Molybdenum and Tungsten","Organometallics","2012","31","13","4650","","10.1021/om300408n","","","0.71073","MoKα","","0.0244","0.0175","","","0.0377","0.041","","","","","","1.075","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078773","22.0127","0.0011","15.2586","0.0008","13.9366","0.0007","90","","92.85","0.001","90","","4675.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H18 F25 Mo N O2 -","- C52 H18 F25 Mo N O2 -","- C208 H72 F100 Mo4 N4 O8 -","4","1","","Yuan, Jian; Schrock, Richard R.; Müller, Peter; Axtell, Jonathan C.; Dobereiner, Graham E.","Pentafluorophenylimido Alkylidene Complexes of Molybdenum and Tungsten","Organometallics","2012","31","13","4650","","10.1021/om300408n","","","0.71073","MoKα","","0.0297","0.0249","","","0.0647","0.0678","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078774","14.6858","0.0005","11.9415","0.0005","14.7634","0.0004","90","","110.884","0.002","90","","2418.97","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ^2^-[2,5-Bis(ethoxymethylidenyl)thiophene]decacarbonylditungsten","","- C20 H12 O12 S W2 -","- C20 H12 O12 S W2 -","- C80 H48 O48 S4 W8 -","4","1","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0557","0.0321","","","0.0577","0.065","","","","","","1.084","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078775","11.752","0.002","14.931","0.003","19.287","0.004","90","","90","","90","","3384.3","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tetracarbonyl-2,3-bis(ethoxymethylidenyl)-5-methyl-thiophene- chromium(0)","2,2,2,2-Tetracarbonyl-1,3-diethoxy-2- chroma(0)-5-methylcyclopentatrieno[b]thiophene","","- C15 H14 Cr O6 S -","- C15 H14 Cr O6 S -","- C120 H112 Cr8 O48 S8 -","8","1","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0473","0.0328","","","0.0776","0.084","","","","","","1.053","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078776","7.2106","0.0005","26.1162","0.0016","9.9037","0.0006","90","","103.189","0.001","90","","1815.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,3-Di(ethoxymethylidenyl)-benzothiophene](tetracarbonyl) chromium","","- C18 H14 Cr O6 S -","- C18 H14 Cr O6 S -","- C72 H56 Cr4 O24 S4 -","4","1","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0324","0.0274","","","0.0727","0.0751","","","","","","1.071","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078777","7.2201","0.0003","26.3987","0.0009","10.0133","0.0004","90","","102.772","0.001","90","","1861.33","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,3-Di(ethoxymethylidenyl)-benzothiophene](tetracarbonyl) tungsten","","- C18 H14 O6 S W -","- C18 H14 O6 S W -","- C72 H56 O24 S4 W4 -","4","1","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0239","0.02","","","0.0392","0.0402","","","","","","1.085","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078778","23.6393","0.0007","7.5262","0.0003","9.187","0.0003","90","","90","","90","","1634.5","0.1","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","[2-(Ethoxymethylidenyl)-4-methyl-4-<i>H</i>-thienopyrrole](pentacarbonyl) chromium","","- C15 H11 Cr N O6 S -","- C15 H11 Cr N O6 S -","- C60 H44 Cr4 N4 O24 S4 -","4","0.5","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0501","0.039","","","0.1151","0.1195","","","","","","1.007","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078779","7.1651","0.0004","11.4198","0.0007","11.8024","0.0007","65.739","0.003","82.524","0.003","73.027","0.003","842.02","0.09","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","[2-(Ethoxymethylidenyl)-4-methyl-4-<i>H</i>-thienopyrrole](pentacarbonyl) tungsten","","- C15 H11 N O6 S W -","- C15 H11 N O6 S W -","- C30 H22 N2 O12 S2 W2 -","2","1","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.04","0.0315","","","0.0617","0.0627","","","","","","0.944","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078780","7.2443","0.0003","18.7946","0.0009","20.0564","0.0005","85.341","0.003","89.251","0.003","83.935","0.003","2706.47","0.19","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","[2,3-Di(ethoxymethylidenyl)-4-methyl-4-<i>H</i>-thienopyrrole](tetracarbonyl) chromium","","- C17 H15 Cr N O6 S -","- C17 H15 Cr N O6 S -","- C102 H90 Cr6 N6 O36 S6 -","6","3","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0935","0.0451","","","0.093","0.1006","","","","","","0.856","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078781","10.7349","0.0003","7.2361","0.0002","23.4138","0.0005","90","","94.075","0.002","90","","1814.16","0.08","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2,3-Di(ethoxymethylidenyl)-4-methyl-4-<i>H</i>-thienopyrrole](tetracarbonyl) tungsten","","- C17 H15 N O6 S W -","- C17 H15 N O6 S W -","- C68 H60 N4 O24 S4 W4 -","4","1","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0408","0.0324","","","0.0792","0.0807","","","","","","1.041","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078782","20.9687","0.0018","22.0733","0.0019","9.3097","0.0008","90","","90","","90","","4309","0.6","125","2","125","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C46 H54 As2 Zr -","- C46 H54 As2 Zr -","- C184 H216 As8 Zr4 -","4","1","","Elrod, L. Taylor; Boxwala, Hussain; Haq, Hira; Zhao, Annie W.; Waterman, Rory","As‒As Bond Formation via Reductive Elimination from a Zirconocene Bis(dimesitylarsenide) Compound","Organometallics","2012","31","14","5204","","10.1021/om300415q","","","0.71073","MoKα","","0.0279","0.0254","","","0.063","0.0639","","","","","","1.042","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078783","8.523","0.005","17.128","0.009","18.972","0.011","90","","95.871","0.005","90","","2755","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Fe2 O6 P S2 -","- C27 H21 Fe2 O6 P S2 -","- C108 H84 Fe8 O24 P4 S8 -","4","1","","Song, Li-Cheng; Wang, Liang-Xing; Jia, Guo-Jun; Li, Qian-Li; Ming, Jiang-Bo","Synthesis, Structural Characterization, and Properties of Some Functionalized Phosphine-Containing Diiron Complexes As Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2012","31","14","5081","","10.1021/om300418z","","","0.7107","MoKα","","0.07","0.0539","","","0.1463","0.1598","","","","","","0.94","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078784","15.0944","0.0006","8.8897","0.0003","46.427","0.002","90","","97.235","0.002","90","","6180.2","0.4","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H49 Cl4 Fe2 N4 O5 P S2 -","- C66 H49 Cl4 Fe2 N4 O5 P S2 -","- C264 H196 Cl16 Fe8 N16 O20 P4 S8 -","4","1","","Song, Li-Cheng; Wang, Liang-Xing; Jia, Guo-Jun; Li, Qian-Li; Ming, Jiang-Bo","Synthesis, Structural Characterization, and Properties of Some Functionalized Phosphine-Containing Diiron Complexes As Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2012","31","14","5081","","10.1021/om300418z","","","0.7107","MoKα","","0.0857","0.0734","","","0.1683","0.1773","","","","","","1.12","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078785","12.102","0.002","14.449","0.003","17.298","0.003","78.937","0.005","85.694","0.006","86.281","0.005","2956.2","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H52 Fe2 N5 O7 P S2 -","- C71 H52 Fe2 N5 O7 P S2 -","- C142 H104 Fe4 N10 O14 P2 S4 -","2","1","","Song, Li-Cheng; Wang, Liang-Xing; Jia, Guo-Jun; Li, Qian-Li; Ming, Jiang-Bo","Synthesis, Structural Characterization, and Properties of Some Functionalized Phosphine-Containing Diiron Complexes As Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2012","31","14","5081","","10.1021/om300418z","","","0.7107","MoKα","","0.1266","0.0742","","","0.1455","0.1743","","","","","","1.05","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078786","11.0441","0.0002","15.0942","0.0003","17.8573","0.0004","69.8435","0.0009","85.4295","0.0011","89.9816","0.0012","2784.47","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H70.25 I2 N6.75 Rh2 -","- C53.5 H70.25 I2 N6.75 Rh2 -","- C107 H140.5 I4 N13.5 Rh4 -","2","1","","Zamora, Matthew T.; Ferguson, Michael J.; Cowie, Martin","Di-Mesoionic Carbene-Bridged Complexes of Rh2, Ir2, and RhIr: A Stepwise Metalation Strategy for the Synthesis of di-MIC-Bridged Mixed-Metal Systems","Organometallics","2012","31","15","5384","","10.1021/om300423z","","","1.54178","CuKα","","0.0805","0.0704","","","0.1631","0.1732","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078787","7.6028","0.0003","8.6374","0.0003","10.072","0.0002","105.309","0.002","90.376","0.002","111.183","0.002","591","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","thionalidixic acid","1-Ehyl-7-methyl-4-thioxo-1,4-dihydro-1,8-naphtyridine-3-carboxylic acid","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C24 H24 N4 O4 S2 -","2","1","","Hudej, Rosana; Kljun, Jakob; Kandioller, Wolfgang; Repnik, Urška; Turk, Boris; Hartinger, Christian G.; Keppler, Bernhard K.; Miklavčič, Damijan; Turel, Iztok","Synthesis and Biological Evaluation of the Thionated Antibacterial Agent Nalidixic Acid and Its Organoruthenium(II) Complex","Organometallics","2012","31","16","5867","","10.1021/om300424w","","","0.71073","MoKα","","0.0508","0.0423","","","0.1175","0.1256","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078788","10.1963","0.0004","10.0836","0.0003","13.8054","0.0004","90","","105.716","0.001","90","","1366.34","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","thionalidixic acid ethyl ester","Ethyl 1-ethyl-7-methyl-4-thioxo-1,4-dihydro-1,8-naphtyridine-3-carboxylate","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Hudej, Rosana; Kljun, Jakob; Kandioller, Wolfgang; Repnik, Urška; Turk, Boris; Hartinger, Christian G.; Keppler, Bernhard K.; Miklavčič, Damijan; Turel, Iztok","Synthesis and Biological Evaluation of the Thionated Antibacterial Agent Nalidixic Acid and Its Organoruthenium(II) Complex","Organometallics","2012","31","16","5867","","10.1021/om300424w","","","0.71073","MoKα","","0.062","0.0404","","","0.0915","0.101","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078789","12.2776","0.0004","13.2829","0.0006","12.8789","0.0005","90","","90.893","0.002","90","","2100.06","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Chlorido(η^6^-p-cymene)(thionalidixicato-κ^2^S,O)ruthenium(II)]","[Chlorido(η^6^-p-ispropyltoluene)(1-ethyl-7-methyl-4-thioxo-1,4-dihydro- 1,8-naphthyridine-3-carboxylato-κ^2^S,O)ruthenium(II)]","","- C22 H25 Cl N2 O2 Ru S -","- C22 H25 Cl N2 O2 Ru S -","- C88 H100 Cl4 N8 O8 Ru4 S4 -","4","1","","Hudej, Rosana; Kljun, Jakob; Kandioller, Wolfgang; Repnik, Urška; Turk, Boris; Hartinger, Christian G.; Keppler, Bernhard K.; Miklavčič, Damijan; Turel, Iztok","Synthesis and Biological Evaluation of the Thionated Antibacterial Agent Nalidixic Acid and Its Organoruthenium(II) Complex","Organometallics","2012","31","16","5867","","10.1021/om300424w","","","0.71073","MoKα","","0.0872","0.0499","","","0.0954","0.1053","","","","","","1.287","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078790","4.6074","0.0003","13.4742","0.0006","20.3128","0.001","90","","96.485","0.005","90","","1252.97","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nalidixic acid ethyl ester","ethyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Hudej, Rosana; Kljun, Jakob; Kandioller, Wolfgang; Repnik, Urška; Turk, Boris; Hartinger, Christian G.; Keppler, Bernhard K.; Miklavčič, Damijan; Turel, Iztok","Synthesis and Biological Evaluation of the Thionated Antibacterial Agent Nalidixic Acid and Its Organoruthenium(II) Complex","Organometallics","2012","31","16","5867","","10.1021/om300424w","","","0.71073","MoKα","","0.0578","0.0446","","","0.1199","0.1314","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078791","6.1229","0.0002","16.9983","0.0011","10.3946","0.0006","90","","98.354","0.003","90","","1070.38","0.1","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","ItBuAuNtf2","","","- C13 H20 Au F6 N3 O4 S2 -","- C13 H20 Au F6 N3 O4 S2 -","- C26 H40 Au2 F12 N6 O8 S4 -","2","1","","Jacques, Béatrice; Kirsch, Jonathan; de Frémont, Pierre; Braunstein, Pierre","NHC Gold(III) Triflimidate Complexes","Organometallics","2012","31","13","4654","","10.1021/om3004256","","x-ray","0.71073","MoKα","","0.0502","0.0401","","","0.0885","0.0928","","","","","","1.007","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078792","11.3435","0.0003","18.8852","0.0007","22.3377","0.0008","67.794","0.001","75.838","0.002","89.662","0.002","4275.7","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","IPrAuCl2NtF2","IPrAuCl2NtF2","","- C29 H36 Au Cl2 F6 N3 O4 S2 -","- C29 H36 Au Cl2 F6 N3 O4 S2 -","- C116 H144 Au4 Cl8 F24 N12 O16 S8 -","4","2","","Jacques, Béatrice; Kirsch, Jonathan; de Frémont, Pierre; Braunstein, Pierre","NHC Gold(III) Triflimidate Complexes","Organometallics","2012","31","13","4654","","10.1021/om3004256","","x-ray","0.71073","MoKα","","0.0836","0.0506","","","0.121","0.1309","","","","","","0.941","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078793","11.252","0.005","11.936","0.005","17.823","0.005","79.81","0.005","82.054","0.005","89.142","0.005","2333.2","1.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","ItBuAuCl2Ntf2","","","- C13 H20 Au Cl2 F6 N3 O4 S2 -","- C13 H20 Au Cl2 F6 N3 O4 S2 -","- C52 H80 Au4 Cl8 F24 N12 O16 S8 -","4","2","","Jacques, Béatrice; Kirsch, Jonathan; de Frémont, Pierre; Braunstein, Pierre","NHC Gold(III) Triflimidate Complexes","Organometallics","2012","31","13","4654","","10.1021/om3004256","","x-ray","0.71069","MoKα","","0.1182","0.0516","","","0.1092","0.1486","","","","","","0.974","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078794","10.921","0.005","12.881","0.005","13.761","0.005","115.457","0.005","106.837","0.005","91.761","0.005","1645.7","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","(ItBu)2AuNtf2","","","- C24 H40 Au F6 N5 O4 S2 -","- C24 H40 Au F6 N5 O4 S2 -","- C48 H80 Au2 F12 N10 O8 S4 -","2","1","","Jacques, Béatrice; Kirsch, Jonathan; de Frémont, Pierre; Braunstein, Pierre","NHC Gold(III) Triflimidate Complexes","Organometallics","2012","31","13","4654","","10.1021/om3004256","","x-ray","0.71069","MoKα","","0.0465","0.0367","","","0.0927","0.1173","","","","","","1.085","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078795","6.841","0.0003","16.0925","0.0007","12.902","0.0005","90","","103.221","0.002","90","","1382.72","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 N3 Pd -","- C11.001 H27.003 N3.001 Pd -","- C44.004 H108.012 N12.004 Pd4 -","4","1","","Khusnutdinova, Julia R.; Qu, Fengrui; Zhang, Ying; Rath, Nigam P.; Mirica, Liviu M.","Formation of the Palladium(IV) Complex [(Me3tacn)PdIVMe3]+through Aerobic Oxidation of (Me3tacn)PdIIMe2(Me3tacn =N,N′,N″-Trimethyl-1,4,7-triazacyclononane)","Organometallics","2012","31","13","4627","","10.1021/om300426r","","","0.71073","MoKα","","0.0428","0.0343","","","0.068","0.0742","","","","","","1.116","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078796","9.0285","0.0006","13.3794","0.0009","13.7845","0.001","90","","91.138","0.003","90","","1664.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 I N3 Pd -","- C12 H30 I N3 Pd -","- C48 H120 I4 N12 Pd4 -","4","1","","Khusnutdinova, Julia R.; Qu, Fengrui; Zhang, Ying; Rath, Nigam P.; Mirica, Liviu M.","Formation of the Palladium(IV) Complex [(Me3tacn)PdIVMe3]+through Aerobic Oxidation of (Me3tacn)PdIIMe2(Me3tacn =N,N′,N″-Trimethyl-1,4,7-triazacyclononane)","Organometallics","2012","31","13","4627","","10.1021/om300426r","","","0.71073","MoKα","","0.0341","0.0225","","","0.0448","0.0488","","","","","","1.013","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4078797","7.8676","0.0008","9.1352","0.0007","16.2751","0.0009","80.102","0.004","80.818","0.005","88.077","0.004","1137.53","0.16","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cr N O4 Si -","- C21 H25 Cr N O4 Si -","- C42 H50 Cr2 N2 O8 Si2 -","2","1","","Ylijoki, Kai E. O.; Lavy, Séverine; Fretzen, Angelika; Kündig, E. Peter; Berclaz, Théo; Bernardinelli, Gérald; Besnard, Céline","A Synthetic and Mechanistic Investigation of the Chromium Tricarbonyl-Mediated Masamune‒Bergman Cyclization. Direct Observation of a Ground-State Tripletp-Benzyne Biradical","Organometallics","2012","31","15","5396","","10.1021/om300427j","","","1.54183","CuKα","","","0.042","","","","0.037","","","","","","1.137","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078798","10.3241","0.0007","15.1982","0.0009","13.3413","0.001","90","","94.973","0.006","90","","2085.5","0.2","220","","220","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cr O4 Si -","- C22 H24 Cr O4 Si -","- C88 H96 Cr4 O16 Si4 -","4","1","","Ylijoki, Kai E. O.; Lavy, Séverine; Fretzen, Angelika; Kündig, E. Peter; Berclaz, Théo; Bernardinelli, Gérald; Besnard, Céline","A Synthetic and Mechanistic Investigation of the Chromium Tricarbonyl-Mediated Masamune‒Bergman Cyclization. Direct Observation of a Ground-State Tripletp-Benzyne Biradical","Organometallics","2012","31","15","5396","","10.1021/om300427j","","","0.71073","MoKα","","0.0473","0.0392","","0.0481","0.0474","0.048","","","","","","1.7554","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078799","8.5358","0.0004","18.1171","0.0007","15.3207","0.0006","90","","100.552","0.0014","90","","2329.19","0.17","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H36 Cl Si2 Ta -","- C18 H36 Cl Si2 Ta -","- C72 H144 Cl4 Si8 Ta4 -","4","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0289","0.0252","","","0.0561","0.0581","","","","","","1.035","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078800","10.4698","0.0007","17.0104","0.0009","18.3434","0.0009","90","","90","","90","","3266.9","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H54 Ir Si2 Ta -","- C28 H54 Ir Si2 Ta -","- C112 H216 Ir4 Si8 Ta4 -","4","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.031","0.0289","","","0.066","0.0672","","","","","","1.05","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078801","17.873","0.0007","11.1005","0.0005","27.0007","0.0009","90","","90","","90","","5356.9","0.4","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H88 Ir2 O2 Si2 Ta2 -","- C48 H37 Ir2 O2 Si2 Ta2 -","- C192 H148 Ir8 O8 Si8 Ta8 -","4","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.074","0.0594","","","0.1432","0.1534","","","","","","1.048","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078802","10.4796","0.0009","11.7018","0.001","17.459","0.0014","89.452","0.003","85.406","0.003","66.811","0.003","1961.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 Ir2 Ta2 -","- C40 H49 Ir2 Ta2 -","- C80 H98 Ir4 Ta4 -","2","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0797","0.0548","","","0.1149","0.1373","","","","","","1.089","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078803","15.1581","0.0004","17.6572","0.0006","22.6264","0.0007","90","","98.586","0.001","90","","5988.1","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H51 Ir N Si Ta -","- C27 H27 Ir N Si Ta -","- C216 H216 Ir8 N8 Si8 Ta8 -","8","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0325","0.0295","","","0.0721","0.0738","","","","","","1.041","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078804","15.0774","0.0004","21.5886","0.0005","20.021","0.0006","90","","107.648","0.0009","90","","6210.1","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Ir N Si Ta -","- C30 H49 Ir N Si Ta -","- C240 H392 Ir8 N8 Si8 Ta8 -","8","2","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0379","0.0274","","","0.0564","0.0596","","","","","","1.028","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078805","15.1736","0.0004","21.9593","0.0005","20.0407","0.0005","90","","106.27","0.0008","90","","6410.2","0.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Br Ir N Si Ta -","- C30 H48 Br Ir N Si Ta -","- C240 H384 Br8 Ir8 N8 Si8 Ta8 -","8","2","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0546","0.0358","","","0.0612","0.0661","","","","","","0.977","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078806","10.512","0.0005","11.1074","0.0006","13.3546","0.0008","86.942","0.0018","86.578","0.0016","87.173","0.0016","1552.63","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Ir O Si Ta -","- C28 H17 Ir O Si Ta -","- C56 H34 Ir2 O2 Si2 Ta2 -","2","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.1123","0.0771","","","0.1904","0.2352","","","","","","1.145","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078807","11.0541","0.0004","18.6809","0.0007","15.6814","0.0007","90","","94.683","0.0014","90","","3227.4","0.2","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 Br2 Ir O2 Ta -","- C32 H40 Br2 Ir O2 Ta -","- C128 H160 Br8 Ir4 O8 Ta4 -","4","2","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0407","0.0359","","","0.0698","0.0727","","","","","","0.938","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078808","12.7626","0.0019","13.559","0.002","14.789","0.002","80.15","0.004","71.462","0.003","66.438","0.003","2221.3","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H64 Cl2 Li N4 O3 Y -","- C44 H64 Cl2 Li N4 O3 Y -","- C88 H128 Cl4 Li2 N8 O6 Y2 -","2","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Chloro and Alkyl Rare-Earth Complexes Supported byansa-Bis(amidinate) Ligands with a Rigido-Phenylene Linker. Ligand Steric Bulk: A Means of Stabilization or Destabilization?","Organometallics","2012","31","15","5405","","10.1021/om3004306","","","0.71073","MoKα","","0.2126","0.0796","","","0.1369","0.1663","","","","","","0.866","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078809","33.2595","0.0018","13.9049","0.0004","20.5482","0.001","90","","122.595","0.007","90","","8006.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 Cl Lu N4 O2.5 -","- C42 H60 Cl Lu N4 O2.5 -","- C336 H480 Cl8 Lu8 N32 O20 -","8","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Chloro and Alkyl Rare-Earth Complexes Supported byansa-Bis(amidinate) Ligands with a Rigido-Phenylene Linker. Ligand Steric Bulk: A Means of Stabilization or Destabilization?","Organometallics","2012","31","15","5405","","10.1021/om3004306","","","0.71073","MoKα","","0.0486","0.0354","","","0.0782","0.0843","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078810","10.3374","0.0004","19.4923","0.0008","26.3232","0.0011","90","","100.236","0.001","90","","5219.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Cl2 Li N4 O3 Y -","- C52 H80 Cl2 Li N4 O3 Y -","- C208 H320 Cl8 Li4 N16 O12 Y4 -","4","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Chloro and Alkyl Rare-Earth Complexes Supported byansa-Bis(amidinate) Ligands with a Rigido-Phenylene Linker. Ligand Steric Bulk: A Means of Stabilization or Destabilization?","Organometallics","2012","31","15","5405","","10.1021/om3004306","","","0.71073","MoKα","","0.0628","0.0406","","","0.0915","0.0984","","","","","","1.046","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078811","11.4232","0.0004","20.2912","0.0007","17.2321","0.0006","90","","93.492","0.001","90","","3986.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 N4 O Si Y -","- C40 H59 N4 O Si Y -","- C160 H236 N16 O4 Si4 Y4 -","4","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Chloro and Alkyl Rare-Earth Complexes Supported byansa-Bis(amidinate) Ligands with a Rigido-Phenylene Linker. Ligand Steric Bulk: A Means of Stabilization or Destabilization?","Organometallics","2012","31","15","5405","","10.1021/om3004306","","","0.71073","MoKα","","0.0657","0.0447","","","0.1133","0.1217","","","","","","1.045","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078812","12.833","0.002","16.95","0.002","18.4991","0.0016","92.933","0.004","91.098","0.002","91.082","0.004","4017.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H59 Lu N4 O Si -","- C40 H59 Lu N4 O Si -","- C160 H236 Lu4 N16 O4 Si4 -","4","2","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Chloro and Alkyl Rare-Earth Complexes Supported byansa-Bis(amidinate) Ligands with a Rigido-Phenylene Linker. Ligand Steric Bulk: A Means of Stabilization or Destabilization?","Organometallics","2012","31","15","5405","","10.1021/om3004306","","","0.71073","MoKα","","0.0954","0.049","","","0.0921","0.0982","","","","","","1.018","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078813","30.5945","0.0013","22.7252","0.001","33.2068","0.0014","90","","105.751","0.001","90","","22220.6","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H164 N8 O4 Y2 -","- C122 H164 N8 O4 Y2 -","- C976 H1312 N64 O32 Y16 -","8","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Chloro and Alkyl Rare-Earth Complexes Supported byansa-Bis(amidinate) Ligands with a Rigido-Phenylene Linker. Ligand Steric Bulk: A Means of Stabilization or Destabilization?","Organometallics","2012","31","15","5405","","10.1021/om3004306","","","0.71073","MoKα","","0.1761","0.0778","","","0.1555","0.1784","","","","","","1.006","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078814","12.2684","0.001","26.237","0.002","19.6275","0.0016","90","","102.51","0.002","90","","6167.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Au2 N4 -","- C33 H38 Au2 N4 -","- C264 H304 Au16 N32 -","8","2","","Gil-Rubio, Juan; Cámara, Verónica; Bautista, Delia; Vicente, José","Dinuclear Alkynyl Gold(I) Complexes Containing Bridging N-Heterocyclic Dicarbene Ligands: New Synthetic Routes and Luminescence","Organometallics","2012","31","15","5414","","10.1021/om300431r","","","0.71073","MoKα","","0.0437","0.034","","","0.0641","0.0671","","","","","","1.053","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078815","20.9777","0.0016","10.5329","0.0008","31.728","0.002","90","","91.891","0.002","90","","7006.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 Au2 Cl2 N4 -","- C17 H36 Au2 Cl2 N4 -","- C204 H432 Au24 Cl24 N48 -","12","3","","Gil-Rubio, Juan; Cámara, Verónica; Bautista, Delia; Vicente, José","Dinuclear Alkynyl Gold(I) Complexes Containing Bridging N-Heterocyclic Dicarbene Ligands: New Synthetic Routes and Luminescence","Organometallics","2012","31","15","5414","","10.1021/om300431r","","","0.71073","MoKα","","0.0314","0.0266","","","0.053","0.0546","","","","","","1.094","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078816","11.3227","0.0005","17.3114","0.001","24.5617","0.0011","90","","95.2165","0.001","90","","4794.4","0.4","113.1","","113.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H54 Cl N P4 W -","- C57.5 H50 Cl N P4 W -","- C230 H200 Cl4 N4 P16 W4 -","4","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Tungsten(II) Alkylimido Complexes from Insertion of Nitriles into Tungsten Hydride: Alkylideneamido Intermediate Stage and Nitrene Group Transfer to Isocyanide","Organometallics","2012","31","14","4933","","10.1021/om3004338","","","0.7107","MoKα","","","0.0281","","","","0.06","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078817","17.067","0.003","17.728","0.003","33.616","0.005","90","","90","","90","","10171","3","113.1","","113.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H59 N P4 W -","- C61 H59 N P4 W -","- C488 H472 N8 P32 W8 -","8","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Tungsten(II) Alkylimido Complexes from Insertion of Nitriles into Tungsten Hydride: Alkylideneamido Intermediate Stage and Nitrene Group Transfer to Isocyanide","Organometallics","2012","31","14","4933","","10.1021/om3004338","","","0.7107","MoKα","","","0.0402","","","","0.0929","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078818","18.834","0.005","10.813","0.003","25.316","0.007","90","","99.2664","0.0011","90","","5088","2","113.1","","113.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C61 H59 N P4 W -","- C61 H59 N P4 W -","- C244 H236 N4 P16 W4 -","4","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Tungsten(II) Alkylimido Complexes from Insertion of Nitriles into Tungsten Hydride: Alkylideneamido Intermediate Stage and Nitrene Group Transfer to Isocyanide","Organometallics","2012","31","14","4933","","10.1021/om3004338","","","0.7107","MoKα","","","0.0215","","","","0.0442","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078819","11.1458","0.0007","12.3496","0.0008","14.1942","0.001","86.394","0.005","75.615","0.005","75.546","0.005","1832.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H37 Cl2 N O P2 Ru -","- C44 H37 Cl2 N O P2 Ru -","- C88 H74 Cl4 N2 O2 P4 Ru2 -","2","1","","Ardizzoia, G. Attilio; Brenna, Stefano; Durini, Sara; Therrien, Bruno","Ruthenium(II) Complexes Bearing a Ligand Derived fromP,N- orP,N,O-Diphenylphosphinobenzoxazine: Synthesis, X-ray Characterization, andcisDiastereoselectivity in Styrene Cyclopropanation","Organometallics","2012","31","15","5427","","10.1021/om300434u","","","0.71073","MoKα","","0.1419","0.0671","","","0.0752","0.0886","","","","","","0.925","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078820","11.9642","0.0008","9.9035","0.0006","37.701","0.003","90","","102.818","0.006","90","","4355.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H41 Cl6 N O P2 Ru -","- C46 H41 Cl6 N O P2 Ru -","- C184 H164 Cl24 N4 O4 P8 Ru4 -","4","1","","Ardizzoia, G. Attilio; Brenna, Stefano; Durini, Sara; Therrien, Bruno","Ruthenium(II) Complexes Bearing a Ligand Derived fromP,N- orP,N,O-Diphenylphosphinobenzoxazine: Synthesis, X-ray Characterization, andcisDiastereoselectivity in Styrene Cyclopropanation","Organometallics","2012","31","15","5427","","10.1021/om300434u","","","0.71073","MoKα","","0.2826","0.1244","","","0.1459","0.1901","","","","","","0.961","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078821","10.1641","0.0006","10.2585","0.0006","16.5236","0.001","74.473","0.005","78.171","0.005","71.912","0.004","1563.94","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H34 Cl2 N O5 P Ru -","- C34 H34 Cl2 N O5 P Ru -","- C68 H68 Cl4 N2 O10 P2 Ru2 -","2","1","","Ardizzoia, G. Attilio; Brenna, Stefano; Durini, Sara; Therrien, Bruno","Ruthenium(II) Complexes Bearing a Ligand Derived fromP,N- orP,N,O-Diphenylphosphinobenzoxazine: Synthesis, X-ray Characterization, andcisDiastereoselectivity in Styrene Cyclopropanation","Organometallics","2012","31","15","5427","","10.1021/om300434u","","","0.71073","MoKα","","0.1192","0.0683","","","0.1259","0.1423","","","","","","0.988","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078822","15.72","0.003","19.209","0.003","15.795","0.003","90","","105.511","0.003","90","","4595.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 Cl3 N4 Rh -","- C55 H42 Cl3 N4 Rh -","- C220 H168 Cl12 N16 Rh4 -","4","1","","Qian, Ying Ying; Chan, Kin Shing","Base-Promoted Aryl Carbon‒Iodine and Carbon‒Bromine Bond Cleavage with Rhodium Porphyrin Complexes: Scope and Mechanism","Organometallics","2012","31","15","5452","","10.1021/om300441p","","","0.71073","MoKα","","0.0865","0.0731","","","0.2016","0.2218","","","","","","1.063","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078823","12.243","0.003","16.532","0.003","23.872","0.005","90","","101.854","0.004","90","","4728.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H44 Br N4 O Rh -","- C55 H44 Br N4 O Rh -","- C220 H176 Br4 N16 O4 Rh4 -","4","1","","Qian, Ying Ying; Chan, Kin Shing","Base-Promoted Aryl Carbon‒Iodine and Carbon‒Bromine Bond Cleavage with Rhodium Porphyrin Complexes: Scope and Mechanism","Organometallics","2012","31","15","5452","","10.1021/om300441p","","","0.71073","MoKα","","0.1484","0.0784","","","0.2205","0.2885","","","","","","1.03","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078824","6.9005","0.0014","6.3367","0.0013","20.75","0.004","90","","99.38","0.03","90","","895.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 N2 O7 Si -","- C12 H28 N2 O7 Si -","- C24 H56 N4 O14 Si2 -","2","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0572","0.0419","","","0.1019","0.1132","","","","","","0.972","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078825","5.8981","0.0003","10.9256","0.0006","29.657","0.0016","90","","90","","90","","1911.11","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F3 N2 O7 Si -","- C14 H25 F3 N2 O7 Si -","- C56 H100 F12 N8 O28 Si4 -","4","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0298","0.0273","","","0.0689","0.0704","","","","","","1.039","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078826","13.1285","0.001","6.5496","0.0005","13.9228","0.001","90","","101.227","0.003","90","","1174.26","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H36 N2 O6 Si -","- C17 H36 N2 O6 Si -","- C34 H72 N4 O12 Si2 -","2","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0303","0.0285","","","0.0753","0.0768","","","","","","1.036","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078827","11.5958","0.0011","36.009","0.004","5.8328","0.0005","90","","90","","90","","2435.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H41 N2 O7.5 Si -","- C18 H41 N2 O7.5 Si -","- C72 H164 N8 O30 Si4 -","4","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0246","0.0239","","","0.0675","0.0679","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078828","9.1765","0.0018","10.3293","0.0016","15.134","0.003","90","","97.75","0.02","90","","1421.4","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H20 Cl N O2 Si -","- C8 H20 Cl N O2 Si -","- C32 H80 Cl4 N4 O8 Si4 -","4","2","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0686","0.0446","","","0.1016","0.1088","","","","","","0.906","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078829","5.9861","0.0006","11.3755","0.0013","19.498","0.002","90","","96.921","0.005","90","","1318","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H40 N2 O7 Si -","- C21 H40 N2 O7.225 Si -","- C42 H80 N4 O14.45 Si2 -","2","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0375","0.0336","","","0.0843","0.0864","","","","","","1.027","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078830","26.349","0.005","5.9675","0.0012","17.194","0.003","90","","95.25","0.009","90","","2692.2","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H42 N2 O7 Si -","- C22 H42 N2 O7 Si -","- C88 H168 N8 O28 Si4 -","4","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0728","0.0669","","","0.1865","0.1903","","","","","","1.097","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078831","11.8973","0.0011","11.2852","0.0017","21.447","0.002","90","","100.233","0.012","90","","2833.7","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H38 N2 O7 Si -","- C24 H38 N2 O7 Si -","- C96 H152 N8 O28 Si4 -","4","2","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0891","0.0404","","","0.0892","0.106","","","","","","0.876","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078832","9.7202","0.0006","11.9718","0.0007","13.271","0.0008","80.868","0.003","76.542","0.003","67.524","0.003","1383.65","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H38 N2 O7 Si -","- C24 H38 N2 O7 Si -","- C48 H76 N4 O14 Si2 -","2","2","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0351","0.0322","","","0.0828","0.0853","","","","","","1.033","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078833","24.1086","0.0008","11.7699","0.0004","20.4463","0.0007","90","","111.65","0.0004","90","","5392.5","0.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H82 Al2 N2 Y2 -","- C44 H82 Al2 N2 Y2 -","- C176 H328 Al8 N8 Y8 -","4","0.5","","Schädle, Dorothea; Schädle, Christoph; Törnroos, Karl W.; Anwander, Reiner","Organoaluminum-Assisted Formation of Rare-Earth Metal Imide Complexes","Organometallics","2012","31","14","5101","","10.1021/om300443x","","","0.71073","MoKα","","0.0254","0.0227","","","0.0585","0.0605","","","","","","1.083","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078834","10.5291","0.0009","14.5921","0.0013","17.0337","0.0015","76.686","0.001","80.847","0.002","74.743","0.001","2443.4","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H82 Al2 La2 N2 -","- C44 H82 Al2 La2 N2 -","- C88 H164 Al4 La4 N4 -","2","1","","Schädle, Dorothea; Schädle, Christoph; Törnroos, Karl W.; Anwander, Reiner","Organoaluminum-Assisted Formation of Rare-Earth Metal Imide Complexes","Organometallics","2012","31","14","5101","","10.1021/om300443x","","","0.71073","MoKα","","0.0989","0.0495","","","0.0999","0.1165","","","","","","0.985","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078835","9.6377","0.0015","11.643","0.002","12.2647","0.0015","62.306","0.012","85.093","0.011","88.038","0.013","1214.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H82 Al2 N2 Nd2 -","- C44 H82 Al2 N2 Nd2 -","- C44 H82 Al2 N2 Nd2 -","1","0.5","","Schädle, Dorothea; Schädle, Christoph; Törnroos, Karl W.; Anwander, Reiner","Organoaluminum-Assisted Formation of Rare-Earth Metal Imide Complexes","Organometallics","2012","31","14","5101","","10.1021/om300443x","","","0.71073","MoKα","","0.0448","0.0359","","","0.079","0.0824","","","","","","1.041","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078836","23.9903","0.0009","11.7282","0.0005","20.4162","0.0008","90","","111.435","0.002","90","","5347","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H82 Al2 Lu2 N2 -","- C44 H82 Al2 Lu2 N2 -","- C176 H328 Al8 Lu8 N8 -","4","0.5","","Schädle, Dorothea; Schädle, Christoph; Törnroos, Karl W.; Anwander, Reiner","Organoaluminum-Assisted Formation of Rare-Earth Metal Imide Complexes","Organometallics","2012","31","14","5101","","10.1021/om300443x","","","0.71073","MoKα","","0.0216","0.0171","","","0.0372","0.0384","","","","","","1.065","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078837","10.5789","0.0008","8.7778","0.0007","12.9485","0.001","90","","91.434","0.002","90","","1202.01","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Au Cl N2 -","- C11 H16 Au Cl N2 -","- C44 H64 Au4 Cl4 N8 -","4","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes","Organometallics","2012","31","16","5875","","10.1021/om300444c","","","0.71073","MoKα","","0.0527","0.0447","","","0.1151","0.1194","","","","","","1.052","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078838","11.046","0.0006","18.097","0.0011","29.2476","0.0017","90","","90","","90","","5846.6","0.6","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C26 H36 Au F6 N4 P -","- C26 H36 Au F6 N4 P -","- C208 H288 Au8 F48 N32 P8 -","8","0.25","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes","Organometallics","2012","31","16","5875","","10.1021/om300444c","","","0.71073","MoKα","","0.0288","0.026","","","0.0736","0.0749","","","","","","1.139","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078839","10.6027","0.0013","13.8516","0.0016","18.185","0.002","90","","102.706","0.002","90","","2605.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Au F6 N4 P -","- C24 H34 Au F6 N4 P -","- C96 H136 Au4 F24 N16 P4 -","4","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes","Organometallics","2012","31","16","5875","","10.1021/om300444c","","","0.71073","MoKα","","0.0426","0.0349","","","0.0854","0.0999","","","","","","1.137","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078840","8.7682","0.0007","8.7682","0.0007","20.718","0.003","90","0","90","0","90","0","1592.8","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H18 Au Cl3 N2 -","- C13 H18 Au Cl3 N2 -","- C52 H72 Au4 Cl12 N8 -","4","0.5","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes","Organometallics","2012","31","16","5875","","10.1021/om300444c","","","0.71073","MoKα","","0.0257","0.0248","","","0.0634","0.0636","","","","","","1.162","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078841","12.8544","0.0006","18.6376","0.0008","24.9384","0.0011","90","","90","","90","","5974.6","0.5","100","2","100","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C26 H36 Au Cl2 F6 N4 P -","- C26 H36 Au Cl2 F6 N4 P -","- C208 H288 Au8 Cl16 F48 N32 P8 -","8","0.25","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes","Organometallics","2012","31","16","5875","","10.1021/om300444c","","","0.71073","MoKα","","0.0179","0.0162","","","0.0397","0.0407","","","","","","1.075","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078842","9.777","0.0011","12.001","0.0014","15.993","0.0014","71.639","0.011","75.339","0.012","88.962","0.014","1719.1","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 Fe2 N4 O6 S Sn -","- C35 H30 Fe2 N4 O6 S Sn -","- C70 H60 Fe4 N8 O12 S2 Sn2 -","2","1","","Liu, Xia-Li; Zhang, Xiao-Yan; Song, Hai-Bin; Tang, Liang-Fu","Reactivity of Bis(3,5-dimethylpyrazol-1-yl)methyllithium with S or CS2, Followed by Reaction with Fe3(CO)12and Ar3SnCl or RX: Unexpected Formation of (3,5-Dimethylpyrazol-1-yl)dithioformate Derivatives","Organometallics","2012","31","14","5108","","10.1021/om300448a","","","0.71075","MoKα","","0.0647","0.0483","","","0.0842","0.0922","","","","","","1.034","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078843","7.7591","0.0016","11.023","0.002","25.811","0.005","90","","95.64","0.03","90","","2196.9","0.7","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Fe2 N2 O6 S2 -","- C19 H14 Fe2 N2 O6 S2 -","- C76 H56 Fe8 N8 O24 S8 -","4","1","","Liu, Xia-Li; Zhang, Xiao-Yan; Song, Hai-Bin; Tang, Liang-Fu","Reactivity of Bis(3,5-dimethylpyrazol-1-yl)methyllithium with S or CS2, Followed by Reaction with Fe3(CO)12and Ar3SnCl or RX: Unexpected Formation of (3,5-Dimethylpyrazol-1-yl)dithioformate Derivatives","Organometallics","2012","31","14","5108","","10.1021/om300448a","","","0.71073","MoKα","","0.0467","0.038","","","0.0884","0.094","","","","","","1.025","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078844","14.576","0.011","20.042","0.015","4.695","0.003","90","","90","","90","","1371.6","1.7","113","2","113","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H20 N4 O2 -","- C12 H20 N4 O2 -","- C48 H80 N16 O8 -","4","0.5","","Liu, Xia-Li; Zhang, Xiao-Yan; Song, Hai-Bin; Tang, Liang-Fu","Reactivity of Bis(3,5-dimethylpyrazol-1-yl)methyllithium with S or CS2, Followed by Reaction with Fe3(CO)12and Ar3SnCl or RX: Unexpected Formation of (3,5-Dimethylpyrazol-1-yl)dithioformate Derivatives","Organometallics","2012","31","14","5108","","10.1021/om300448a","","","0.71073","MoKα","","0.0588","0.0539","","","0.1397","0.1441","","","","","","1.146","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078845","16.1666","0.001","9.6372","0.0006","15.9377","0.0012","90","","91.543","0.002","90","","2482.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 Fe N3 Si2 -","- C23 H33 Fe N3 Si2 -","- C92 H132 Fe4 N12 Si8 -","4","0.5","","Tondreau, Aaron M.; Atienza, Crisita Carmen Hojilla; Darmon, Jonathan M.; Milsmann, Carsten; Hoyt, Helen M.; Weller, Keith J.; Nye, Susan A.; Lewis, Kenrick M.; Boyer, Julie; Delis, Johannes G. P.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis, Electronic Structure, and Alkene Hydrosilylation Activity of Terpyridine and Bis(imino)pyridine Iron Dialkyl Complexes","Organometallics","2012","31","13","4886","","10.1021/om3004527","","","0.71073","MoKα","","0.0351","0.027","","","0.0681","0.0741","","","","","","1.011","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078846","15.5497","0.0007","14.4945","0.0007","12.9298","0.0006","90","","102.301","0.0006","90","","2847.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F6 N5 O6 S2 -","- C22 H29 F6 N5 O6 S2 -","- C88 H116 F24 N20 O24 S8 -","4","1","","Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Unsymmetrical Dicarbenes Based onN-Heterocyclic/Mesoionic Carbene Frameworks: A Stepwise Metalation Strategy for the Generation of a Dicarbene-Bridged Mixed-Metal Pd/Rh Complex","Organometallics","2012","31","15","5463","","10.1021/om3004543","","","0.71073","MoKα","","0.0471","0.0361","","","0.0892","0.0968","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078847","10.1647","0.0005","10.4449","0.0005","13.1034","0.0006","76.462","0.0005","72.6898","0.0005","78.6303","0.0005","1279.03","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 I2 N5 O2 Rh -","- C22 H30 I2 N5 O2 Rh -","- C44 H60 I4 N10 O4 Rh2 -","2","1","","Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Unsymmetrical Dicarbenes Based onN-Heterocyclic/Mesoionic Carbene Frameworks: A Stepwise Metalation Strategy for the Generation of a Dicarbene-Bridged Mixed-Metal Pd/Rh Complex","Organometallics","2012","31","15","5463","","10.1021/om3004543","","","0.71073","MoKα","","0.02","0.0172","","","0.0424","0.0436","","","","","","1.036","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078848","30.695","0.019","17.496","0.011","15.149","0.009","90","","119.53","0.007","90","","7079","8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 I3 N9 Pd -","- C22 H31 I3 N6 Pd -","- C176 H248 I24 N48 Pd8 -","8","1","","Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Unsymmetrical Dicarbenes Based onN-Heterocyclic/Mesoionic Carbene Frameworks: A Stepwise Metalation Strategy for the Generation of a Dicarbene-Bridged Mixed-Metal Pd/Rh Complex","Organometallics","2012","31","15","5463","","10.1021/om3004543","","","0.71073","MoKα","","0.1091","0.0734","","","0.1986","0.2186","","","","","","1.08","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078849","13.782","0.003","15.694","0.003","22.394","0.005","79.906","0.003","88.01","0.003","86.666","0.003","4759.2","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H49 I3 N7 P Pd -","- C41 H47.5 I3 N6.5 P Pd -","- C164 H190 I12 N26 P4 Pd4 -","4","2","","Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Unsymmetrical Dicarbenes Based onN-Heterocyclic/Mesoionic Carbene Frameworks: A Stepwise Metalation Strategy for the Generation of a Dicarbene-Bridged Mixed-Metal Pd/Rh Complex","Organometallics","2012","31","15","5463","","10.1021/om3004543","","","0.71073","MoKα","","0.0509","0.0351","","","0.0862","0.0924","","","","","","1.031","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078850","9.554","0.0003","14.2139","0.0005","17.0434","0.0006","98.609","0.003","100.84","0.003","98.216","0.003","2212.43","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 Cl3 F2 Ir N7 -","- C45 H31 Cl F2 Ir N7 -","- C90 H62 Cl2 F4 Ir2 N14 -","2","1","","Wiegmann, Björn; Jones, Peter G.; Wagenblast, Gerhard; Lennartz, Christian; Münster, Ingo; Metz, Stefan; Kowalsky, Wolfgang; Johannes, Hans-Hermann","A New Framework of a Heteroleptic Iridium(III)‒Carbene Complex as a Triplet Emitting Material","Organometallics","2012","31","15","5223","","10.1021/om300458f","","","0.71073","MoKα","","0.0316","0.0263","","","0.059","0.0607","","","","","","1.042","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078851","12.0924","0.0004","17.7704","0.0005","15.3413","0.0005","90","","106.018","0.0007","90","","3168.66","0.17","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H43 F5 N O P2 Si V -","- C26 H43 F5 N O P2 Si V -","- C104 H172 F20 N4 O4 P8 Si4 V4 -","4","2","","Nomura, Kotohiro; Suzuki, Ken; Katao, Shohei; Matsumoto, Yuichi","Ring-Opening Polymerization of THF by Aryloxo-Modified (Imido)vanadium(V)-alkyl Complexes and Ring-Opening Metathesis Polymerization by Highly Active V(CHSiMe3)(NAd)(OC6F5)(PMe3)2","Organometallics","2012","31","14","5114","","10.1021/om300463f","","","0.71075","MoKα","","","0.0517","","","","0.1361","","","","","","1.064","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078852","12.7835","0.0006","19.6275","0.0008","17.6761","0.0008","90","","102.418","0.001","90","","4331.3","0.3","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 B Cl F4 N2 P2 Pd -","- C47 H42 B Cl F4 N2 P2 Pd -","- C188 H168 B4 Cl4 F16 N8 P8 Pd4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.0775","0.0546","","","0.1234","0.1339","","","","","","1.061","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078853","16.426","0.004","9.501","0.003","32.743","0.009","90","","90","","90","","5110","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Br2 N4 Pd -","- C24 H30 Br2 N4 Pd -","- C192 H240 Br16 N32 Pd8 -","8","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.0706","0.0489","","","0.1238","0.135","","","","","","1.04","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078854","7.429","0.0008","11.2598","0.0012","18.3","0.002","90","","98.965","0.002","90","","1512.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br2 N3 Pd -","- C13 H15 Br2 N3 Pd -","- C52 H60 Br8 N12 Pd4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.025","0.0226","","","0.049","0.0493","","","","","","1.708","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078855","12.8293","0.0017","14.4879","0.0019","17.675","0.002","90","","101.964","0.002","90","","3213.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H30 Br2 Cl3 N2 P Pd -","- C30.5 H30 Br2 Cl3 N2 P Pd -","- C122 H120 Br8 Cl12 N8 P4 Pd4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.0806","0.059","","","0.154","0.1685","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078856","9.2378","0.0008","17.1028","0.0015","13.657","0.0012","90","","108.269","0.001","90","","2048.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Br2 Cl2 N3 Pd -","- C17 H19 Br2 Cl2 N3 Pd -","- C68 H76 Br8 Cl8 N12 Pd4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.0276","0.0225","","","0.0532","0.0548","","","","","","1.025","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078857","10.1973","0.001","15.7552","0.0016","16.6958","0.0017","90","","103.881","0.002","90","","2604","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Br2 Cl2 N4 Pd -","- C23 H26 Br2 Cl2 N4 Pd -","- C92 H104 Br8 Cl8 N16 Pd4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.0626","0.044","","","0.0964","0.1038","","","","","","1.027","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078858","12.1948","0.0008","14.1073","0.0009","21.3296","0.0014","76.826","0.001","84.054","0.001","79.228","0.001","3502.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H182 Br8 Cl6 N12 Pd4 -","- C133 H182 Br8 Cl6 N12 Pd4 -","- C133 H182 Br8 Cl6 N12 Pd4 -","1","0.5","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.0577","0.039","","","0.074","0.0773","","","","","","1.32","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078859","10.359","0.003","12.225","0.003","14.926","0.004","83.575","0.005","81.529","0.005","83.534","0.005","1848.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Br2 N4 Pd -","- C38 H48 Br2 N4 Pd -","- C76 H96 Br4 N8 Pd2 -","2","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.1061","0.0519","","","0.1111","0.1276","","","","","","0.952","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078860","11.98","0.0016","13.501","0.0018","19.619","0.003","90.684","0.002","91.549","0.002","111.316","0.002","2954.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H64 Cl2 F12 N10 P2 Ru -","- C55 H64 Cl2 F12 N10 P2 Ru -","- C110 H128 Cl4 F24 N20 P4 Ru2 -","2","1","","Saha, Sayantani; Ghatak, Tapas; Saha, Biswajit; Doucet, Henri; Bera, Jitendra K.","Steric Control at the Wingtip of a Bis-N-Heterocyclic Carbene Ligand: Coordination Behavior and Catalytic Responses of Its Ruthenium Compounds","Organometallics","2012","31","15","5500","","10.1021/om300469n","","","0.71073","MoKα","","0.1132","0.0715","","","0.1495","0.2044","","","","","","1.106","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078861","9.255","0.004","13.765","0.004","15.12","0.005","79.363","0.005","83.911","0.005","75.643","0.003","1830.3","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H47 Cl2 F6 N8 P Ru -","- C30 H47 Cl2 F6 N8 P Ru -","- C60 H94 Cl4 F12 N16 P2 Ru2 -","2","1","","Saha, Sayantani; Ghatak, Tapas; Saha, Biswajit; Doucet, Henri; Bera, Jitendra K.","Steric Control at the Wingtip of a Bis-N-Heterocyclic Carbene Ligand: Coordination Behavior and Catalytic Responses of Its Ruthenium Compounds","Organometallics","2012","31","15","5500","","10.1021/om300469n","","","0.71073","MoKα","","0.1107","0.0736","","","0.1705","0.1931","","","","","","1.017","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078862","15.113","0.003","12.812","0.003","16.386","0.003","90","","113.31","0.03","90","","2913.8","1.2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 Cl N2 O Ru -","- C30 H43 Cl N2 O Ru -","- C120 H172 Cl4 N8 O4 Ru4 -","4","1","","Kong, Yong; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene ROMP Behavior ofo-Aryloxide-N-Heterocyclic Carbenep-Cymene Ruthenium Complexes","Organometallics","2012","31","15","5527","","10.1021/om300474n","","","0.71073","MoKα","","0.0285","0.0251","","","0.0641","0.066","","","","","","1.054","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078863","18.4561","0.0009","11.6603","0.0005","26.6072","0.0007","90","","98.614","0.002","90","","5661.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","C56H36Au2O4P2","1,8 dihydroxyanthraquinone dipropargyl ether bis (gold triphenylphosphine)","","- C58 H38 Au2 Cl6 O4 P2 -","- C58 H38 Au2 Cl6 O4 P2 -","- C232 H152 Au8 Cl24 O16 P8 -","4","1","","Balasingham, Rebeca G.; Williams, Catrin F.; Mottram, Huw J.; Coogan, Michael P.; Pope, Simon J. A.","Gold(I) Complexes Derived from Alkynyloxy-Substituted Anthraquinones: Syntheses, Luminescence, Preliminary Cytotoxicity, and Cell Imaging Studies","Organometallics","2012","31","16","5835","","10.1021/om300475y","","","0.71073","MoKα","","0.1848","0.0871","","","0.2013","0.2566","","","","","","1.021","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078864","13.865","0.002","14.152","0.002","15.025","0.003","77.7","0.02","82.64","0.02","84.99","0.03","2851.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H72 N2 O2 Si3 -","- C65 H72 N2 O2 Si3 -","- C130 H144 N4 O4 Si6 -","2","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Granitzka, Markus; Stalke, Dietmar","Reactivity Studies of a Stable N-Heterocyclic Silylene with Triphenylsilanol and Pentafluorophenol","Organometallics","2012","31","15","5506","","10.1021/om300476q","","","0.71073","MoKα","","0.0442","0.0352","","","0.0873","0.0928","","","","","","1.026","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078865","12.375","0.002","20.977","0.003","15.757","0.002","90","","103.87","0.02","90","","3971.1","1.1","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 F10 N2 O2 Si -","- C41 H42 F10 N2 O2 Si -","- C164 H168 F40 N8 O8 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Granitzka, Markus; Stalke, Dietmar","Reactivity Studies of a Stable N-Heterocyclic Silylene with Triphenylsilanol and Pentafluorophenol","Organometallics","2012","31","15","5506","","10.1021/om300476q","","","0.71073","MoKα","","0.04","0.0333","","","0.0863","0.0914","","","","","","1.025","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078866","30.8877","0.0009","12.937","0.0002","18.9561","0.0003","90","","90","","90","","7574.7","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 Li Mg O Si3 -","- C16 H40.3333 Li Mg O Si3 -","- C192 H484 Li12 Mg12 O12 Si36 -","12","3","","Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry","Organometallics","2012","31","14","5131","","10.1021/om300477m","","","0.71073","MoKα","","0.097","0.0845","","","0.1724","0.1763","","","","","","1.147","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078867","9.6476","0.0005","11.0862","0.0006","15.5535","0.0006","104.171","0.004","96.327","0.004","111.437","0.005","1464.12","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H49 Li Mg O4 Si3 -","- C20 H49 Li Mg O4 Si3 -","- C40 H98 Li2 Mg2 O8 Si6 -","2","1","","Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry","Organometallics","2012","31","14","5131","","10.1021/om300477m","","","0.71073","MoKα","","0.0432","0.034","","","0.091","0.0936","","","","","","1.079","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078868","12.6467","0.0007","12.7597","0.0007","15.1259","0.0008","80.209","0.004","69.849","0.005","79.137","0.004","2235.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37 Li Mg O Si3 -","- C14 H37 Li Mg O Si3 -","- C56 H148 Li4 Mg4 O4 Si12 -","4","2","","Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry","Organometallics","2012","31","14","5131","","10.1021/om300477m","","","0.71073","MoKα","","0.0869","0.0355","","","0.0581","0.0643","","","","","","0.688","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078869","11.1275","0.0007","11.1275","0.0007","36.035","0.005","90","","90","","90","","4461.9","0.7","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C28 H76 Li2 Mg N4 Si4 -","- C28 H76 Li2 Mg N4 Si4 -","- C112 H304 Li8 Mg4 N16 Si16 -","4","0.5","","Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry","Organometallics","2012","31","14","5131","","10.1021/om300477m","","","0.71073","MoKα","","0.1544","0.0478","","","0.0883","0.0991","","","","","","0.695","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078870","9.8686","0.0003","16.9877","0.0007","19.5686","0.0008","90","","97.643","0.003","90","","3251.4","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H56 Li Mg N3 Si3 -","- C21 H56 Li Mg N3 Si3 -","- C84 H224 Li4 Mg4 N12 Si12 -","4","1","","Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry","Organometallics","2012","31","14","5131","","10.1021/om300477m","","","0.71073","MoKα","","0.0882","0.0469","","","0.1082","0.1178","","","","","","0.937","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078871","14.1664","0.0005","30.7009","0.0009","21.7025","0.0007","90","","95.679","0.003","90","","9392.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H156 Li2 Mg4 N6 O Si10 -","- C58 H156 Li2 Mg4 N6 O Si10 -","- C232 H624 Li8 Mg16 N24 O4 Si40 -","4","1","","Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry","Organometallics","2012","31","14","5131","","10.1021/om300477m","","","0.71073","MoKα","","0.0864","0.0386","","","0.0796","0.0861","","","","","","0.853","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078872","11.4874","0.0005","14.5877","0.0006","20.6198","0.001","110.077","0.002","93.425","0.002","107.986","0.002","3033.2","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C70 H55 Al N4 O2 Si2 -","- C70 H55 Al N4 O2 Si2 -","- C140 H110 Al2 N8 O4 Si4 -","2","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands","Organometallics","2012","31","15","5511","","10.1021/om300481q","","x-ray","0.71073","MoKα","","0.0704","0.0508","","","0.1392","0.1497","","","","","","1.063","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078873","17.1495","0.0005","11.1441","0.0003","18.2625","0.0005","90","","115.337","0.001","90","","3154.51","0.15","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 In N2 O Si -","- C37 H33 In N2 O Si -","- C148 H132 In4 N8 O4 Si4 -","4","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands","Organometallics","2012","31","15","5511","","10.1021/om300481q","","x-ray","0.71073","MoKα","","0.0365","0.0281","","","0.0689","0.074","","","","","","1.048","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078874","14.5921","0.0004","15.1638","0.0004","19.8274","0.0006","90","","99.837","0.001","90","","4322.7","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 In N2 O Si3 -","- C46 H52 In N2 O Si3 -","- C184 H208 In4 N8 O4 Si12 -","4","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands","Organometallics","2012","31","15","5511","","10.1021/om300481q","","x-ray","0.71073","MoKα","","0.0327","0.0251","","","0.0779","0.0953","","","","","","1.186","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078875","16.5875","0.0006","18.1081","0.0006","40.2373","0.0016","90","","90","","90","","12086","0.8","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C74 H65 In N4 O3 Si2 -","- C74 H65 In N4 O3 Si2 -","- C592 H520 In8 N32 O24 Si16 -","8","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands","Organometallics","2012","31","15","5511","","10.1021/om300481q","","x-ray","0.71073","MoKα","","0.0729","0.0533","","","0.0991","0.1056","","","","","","1.146","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078876","8.581","0.0016","15.042","0.003","10.0622","0.0019","90","","91.788","0.003","90","","1298.2","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl6 N2 Ti2 -","- C16 H36 Cl6 N2 Ti2 -","- C32 H72 Cl12 N4 Ti4 -","2","0.5","","Spicer, Charles W.; Lovitt, Charity Flener; Girolami, Gregory S.","Nonagostic M···H‒C Interactions. Synthesis, Characterization, and DFT Study of the Titanium Amide Ti2Cl6[N(t-Bu)2]2","Organometallics","2012","31","13","4894","","10.1021/om300483v","","","0.71073","MoKα","","0.0335","0.0259","","","0.0617","0.0639","","","","","","1.003","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078877","7.512","0.002","20.436","0.007","8.291","0.003","90","","90.484","0.005","90","","1272.7","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl6 N2 Ti2 -","- C16 H36 Cl6 N2 Ti2 -","- C32 H72 Cl12 N4 Ti4 -","2","0.5","","Spicer, Charles W.; Lovitt, Charity Flener; Girolami, Gregory S.","Nonagostic M···H‒C Interactions. Synthesis, Characterization, and DFT Study of the Titanium Amide Ti2Cl6[N(t-Bu)2]2","Organometallics","2012","31","13","4894","","10.1021/om300483v","","","0.71073","MoKα","","0.0549","0.0418","","","0.1151","0.1215","","","","","","1.115","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078878","12.728","0.003","15.881","0.003","18.128","0.003","73.738","0.004","88.468","0.005","87.523","0.005","3514","1.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C79 H52 B F24 P2 Ru -","- C79 H52 B F24 P2 Ru -","- C158 H104 B2 F48 P4 Ru2 -","2","1","","Mutoh, Yuichiro; Kimura, Yusuke; Ikeda, Yousuke; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Formation of (Alkenylphosphonio)phenylruthenium Complexes from Diphenylacetylene and a [CpRu(dppm)] Cation: Experimental Evidence for the Equilibrium between η1-Disubstituted Vinylidene and η2-Internal Alkyne","Organometallics","2012","31","14","5150","","10.1021/om3004948","","","0.71075","MoKα","","","0.0739","","","","0.178","","","","","","1.071","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078879","10.7153","0.0016","18.425","0.003","19.554","0.003","82.693","0.004","87.357","0.004","75.42","0.004","3705.5","1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H63 B F24 P2 Ru -","- C82 H63 B F24.0001 P2 Ru -","- C164 H126 B2 F48.0002 P4 Ru2 -","2","1","","Mutoh, Yuichiro; Kimura, Yusuke; Ikeda, Yousuke; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Formation of (Alkenylphosphonio)phenylruthenium Complexes from Diphenylacetylene and a [CpRu(dppm)] Cation: Experimental Evidence for the Equilibrium between η1-Disubstituted Vinylidene and η2-Internal Alkyne","Organometallics","2012","31","14","5150","","10.1021/om3004948","","","0.7107","MoKα","","","0.0508","","","","0.139","","","","","","0.984","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078880","16.69","0.002","18.527","0.002","24.597","0.003","69.419","0.004","84.293","0.005","78.708","0.005","6978.6","1.4","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H49 B F24 P2 Ru -","- C76 H49 B F24 P2 Ru -","- C304 H196 B4 F96 P8 Ru4 -","4","2","","Mutoh, Yuichiro; Kimura, Yusuke; Ikeda, Yousuke; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Formation of (Alkenylphosphonio)phenylruthenium Complexes from Diphenylacetylene and a [CpRu(dppm)] Cation: Experimental Evidence for the Equilibrium between η1-Disubstituted Vinylidene and η2-Internal Alkyne","Organometallics","2012","31","14","5150","","10.1021/om3004948","","","0.71075","MoKα","","","0.0598","","","","0.1594","","","","","","1.09","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078881","11.792","0.004","18.592","0.005","31.093","0.009","90","","94.878","0.003","90","","6792","4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H49 B F24 P2 Ru -","- C76 H49 B F24 P2 Ru -","- C304 H196 B4 F96 P8 Ru4 -","4","1","","Mutoh, Yuichiro; Kimura, Yusuke; Ikeda, Yousuke; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Formation of (Alkenylphosphonio)phenylruthenium Complexes from Diphenylacetylene and a [CpRu(dppm)] Cation: Experimental Evidence for the Equilibrium between η1-Disubstituted Vinylidene and η2-Internal Alkyne","Organometallics","2012","31","14","5150","","10.1021/om3004948","","","0.71075","MoKα","","","0.049","","","","0.1126","","","","","","1.086","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078882","9.58","0.0019","10.61","0.002","19.53","0.004","90","","93.14","0.03","90","","1982.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Au Cl2 N3 -","- C22 H16 Au Cl2 N3 -","- C88 H64 Au4 Cl8 N12 -","4","1","","Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Montanel-Pérez, Sara; Villacampa, M. Dolores","Facile Synthesis of Gold(III) Aryl‒Carbene Metallacycles","Organometallics","2012","31","15","5520","","10.1021/om300495u","","","0.71073","MoKα","","0.0272","0.0205","","","0.0444","0.0466","","","","","","1.045","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078883","11.02","0.002","13.068","0.003","13.431","0.003","103.22","0.03","96.52","0.03","103.86","0.03","1798.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Au Cl2 N3 -","- C18 H20 Au Cl2 N3 -","- C72 H80 Au4 Cl8 N12 -","4","2","","Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Montanel-Pérez, Sara; Villacampa, M. Dolores","Facile Synthesis of Gold(III) Aryl‒Carbene Metallacycles","Organometallics","2012","31","15","5520","","10.1021/om300495u","","","0.71073","MoKα","","0.0544","0.0388","","","0.0904","0.0985","","","","","","1.026","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078884","9.3","0.0019","10.27","0.002","20.1","0.004","90","","100.55","0.03","90","","1887.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Au Cl2 N3 -","- C18 H20 Au Cl2 N3 -","- C72 H80 Au4 Cl8 N12 -","4","1","","Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Montanel-Pérez, Sara; Villacampa, M. Dolores","Facile Synthesis of Gold(III) Aryl‒Carbene Metallacycles","Organometallics","2012","31","15","5520","","10.1021/om300495u","","","0.71073","MoKα","","0.0415","0.0394","","","0.0979","0.0991","","","","","","1.065","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078885","8.93","0.0018","15.12","0.003","14.03","0.003","90","","101.92","0.03","90","","1853.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Au Cl2 N3 -","- C20 H18 Au Cl2 N3 -","- C80 H72 Au4 Cl8 N12 -","4","1","","Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Montanel-Pérez, Sara; Villacampa, M. Dolores","Facile Synthesis of Gold(III) Aryl‒Carbene Metallacycles","Organometallics","2012","31","15","5520","","10.1021/om300495u","","","0.71073","MoKα","","0.0355","0.0299","","","0.0759","0.0791","","","","","","1.078","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078886","11.2294","0.0007","15.0839","0.001","14.5169","0.0009","90","","107.908","0.001","90","","2339.8","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 B N6 Ru S2 -","- C21 H29 B N6 Ru S2 -","- C84 H116 B4 N24 Ru4 S8 -","4","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich (Cp*/(HMB))Ru Complexes Containing Bis(methimazolyl)(pyrazolyl)borate (Cp* = η5-C5Me5, HMB = η6-C6Me6)","Organometallics","2012","31","14","5159","","10.1021/om300497p","","","0.71073","MoKα","","0.0651","0.0578","","","0.158","0.1643","","","","","","1.047","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078887","12.9471","0.0013","12.1262","0.0013","21.102","0.002","90","","93.458","0.003","90","","3307","0.6","223","2","223","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C23.5 H32.25 B F6 N6.75 P Ru S2 -","- C23.5 H33.25 B F6 N6.25 P Ru S2 -","- C94 H133 B4 F24 N25 P4 Ru4 S8 -","4","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich (Cp*/(HMB))Ru Complexes Containing Bis(methimazolyl)(pyrazolyl)borate (Cp* = η5-C5Me5, HMB = η6-C6Me6)","Organometallics","2012","31","14","5159","","10.1021/om300497p","","","0.71073","MoKα","","0.1798","0.1632","","","0.3434","0.3515","","","","","","1.257","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078888","13.0005","0.0007","17.764","0.0008","13.2947","0.0006","90","","110.615","0.001","90","","2873.7","0.2","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 B Cl3 N6 Ru S2 -","- C24 H34 B Cl3 N6 Ru S2 -","- C96 H136 B4 Cl12 N24 Ru4 S8 -","4","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich (Cp*/(HMB))Ru Complexes Containing Bis(methimazolyl)(pyrazolyl)borate (Cp* = η5-C5Me5, HMB = η6-C6Me6)","Organometallics","2012","31","14","5159","","10.1021/om300497p","","","0.71073","MoKα","","0.0843","0.0702","","","0.1768","0.1861","","","","","","1.091","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078889","18.3084","0.0007","12.002","0.0004","15.6542","0.0006","90","","123.198","0.001","90","","2878.38","0.19","243","2","243","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C25 H37 B N6 O3 Ru S2 -","- C25 H37 B N6 O3.01 Ru S2 -","- C100 H148 B4 N24 O12.04 Ru4 S8 -","4","0.5","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich (Cp*/(HMB))Ru Complexes Containing Bis(methimazolyl)(pyrazolyl)borate (Cp* = η5-C5Me5, HMB = η6-C6Me6)","Organometallics","2012","31","14","5159","","10.1021/om300497p","","","0.71073","MoKα","","0.0474","0.0439","","","0.1054","0.1079","","","","","","1.173","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078890","40.061","0.002","13.1846","0.0008","9.6673","0.0006","90","","92.534","0.001","90","","5101.2","0.5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 B N6 O Ru S2 -","- C22 H29 B N6 O Ru S2 -","- C176 H232 B8 N48 O8 Ru8 S16 -","8","1","","Kuan, Seah Ling; Leong, Weng Kee; Webster, Richard D.; Goh, Lai Yoong","Mixed-Sandwich (Cp*/(HMB))Ru Complexes Containing Bis(methimazolyl)(pyrazolyl)borate (Cp* = η5-C5Me5, HMB = η6-C6Me6)","Organometallics","2012","31","14","5159","","10.1021/om300497p","","","0.71073","MoKα","","0.074","0.0617","","","0.1329","0.1414","","","","","","1.147","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078891","9.7112","0.0016","9.9467","0.0014","13.852","0.002","70.142","0.008","77.515","0.009","75.018","0.008","1203.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 Zn3 -","- C24 H36 Zn3 -","- C48 H72 Zn6 -","2","1","","Zhou, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","1,3-Butadienylzinc Trimer Formed via Transmetalation from 1,4-Dilithio-1,3-butadienes: Synthesis, Structural Characterization, and Application in Negishi Cross-Coupling","Organometallics","2012","31","15","5546","","10.1021/om3005004","","","0.71073","MoKα","","0.0382","0.0356","","","0.085","0.0868","","","","","","1.112","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078892","11.557","0.004","11.557","0.004","48.53","0.019","90","","90","","120","","5613","4","173","2","173","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H60 Zn3 -","- C36 H60 Zn3 -","- C216 H360 Zn18 -","6","0.5","","Zhou, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","1,3-Butadienylzinc Trimer Formed via Transmetalation from 1,4-Dilithio-1,3-butadienes: Synthesis, Structural Characterization, and Application in Negishi Cross-Coupling","Organometallics","2012","31","15","5546","","10.1021/om3005004","","","0.71073","MoKα","","0.05","0.0461","","","0.0951","0.0983","","","","","","1.126","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078893","20.106","0.004","13.786","0.003","38.576","0.008","90","","95.04","0.03","90","","10651","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H79 Si6 Zn3 -","- C39 H72 Si6 Zn3 -","- C312 H576 Si48 Zn24 -","8","1","","Zhou, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","1,3-Butadienylzinc Trimer Formed via Transmetalation from 1,4-Dilithio-1,3-butadienes: Synthesis, Structural Characterization, and Application in Negishi Cross-Coupling","Organometallics","2012","31","15","5546","","10.1021/om3005004","","","0.71073","MoKα","","0.2297","0.0415","","","0.0612","0.0787","","","","","","0.586","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078894","9.8205","0.0002","16.7399","0.0004","14.5673","0.0004","90","","106.695","0.002","90","","2293.83","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Co4 Si -","- C25 H30 Co4 Si -","- C100 H120 Co16 Si4 -","4","1","","Weding, Nico; Spannenberg, Anke; Jackstell, Ralf; Hapke, Marko","Formation and Reactivity of a Co4-μ-Alkyne Cluster from a Co(I)-Alkene Complex","Organometallics","2012","31","15","5660","","10.1021/om300503y","","","0.71073","MoKα","","0.035","0.025","","","0.0563","0.0581","","","","","","0.95","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078895","16.7463","0.0004","16.0456","0.0004","25.7734","0.0007","90","","95.0336","0.0013","90","","6898.7","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H102 B N8 O2 Zr2 -","- C62.012 H102.03 B N8 O2 Zr2 -","- C248.048 H408.12 B4 N32 O8 Zr8 -","4","0.5","","Munhá, Rui F.; Ballmann, Joachim; Veiros, Luis F.; Patrick, Brian O.; Fryzuk, Michael D.; Martins, Ana M.","Dinuclear Cationic Zirconium Hydrides Stabilized by theN,N-Dibenzylcyclam Ancillary Ligand","Organometallics","2012","31","14","4937","","10.1021/om300504q","","","0.71073","MoKα","","0.0783","0.0547","","","0.1645","0.1793","","","","","","1.125","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4078896","10.495","0.0002","22.473","0.0004","10.692","0.0002","90","","106.091","0.0007","90","","2422.96","0.08","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Al Br O S -","- C23 H32 Al Br O S -","- C92 H128 Al4 Br4 O4 S4 -","4","1","","Lamberti, Marina; D’Auria, Ilaria; Mazzeo, Mina; Milione, Stefano; Bertolasi, Valerio; Pappalardo, Daniela","Phenoxy-Thioether Aluminum Complexes as ε-Caprolactone and Lactide Polymerization Catalysts","Organometallics","2012","31","15","5551","","10.1021/om300505m","","","0.71073","MoKα","","0.0778","0.0491","","","0.112","0.1225","","","","","","1.032","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078897","13.3202","0.0009","20.7887","0.0014","12.1869","0.0008","90","","92.069","0.001","90","","3372.5","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 B Cl2 F4 Ir N4 O2 -","- C37 H34 B Cl2 F4 Ir N4 O2 -","- C148 H136 B4 Cl8 F16 Ir4 N16 O8 -","4","1","","Rahaman, S. M. Wahidur; Dinda, Shrabani; Ghatak, Tapas; Bera, Jitendra K.","Carbon Monoxide Induced Double Cyclometalation at the Iridium Center","Organometallics","2012","31","15","5533","","10.1021/om300506v","","","0.71073","MoKα","","0.0478","0.0387","","","0.089","0.0931","","","","","","0.995","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078898","18.571","0.0016","20.5555","0.0019","9.1403","0.0008","90","","107.124","0.001","90","","3334.5","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 B F4 Ir N4 O2 -","- C38 H24 B F4 Ir N4 O2 -","- C152 H96 B4 F16 Ir4 N16 O8 -","4","0.5","","Rahaman, S. M. Wahidur; Dinda, Shrabani; Ghatak, Tapas; Bera, Jitendra K.","Carbon Monoxide Induced Double Cyclometalation at the Iridium Center","Organometallics","2012","31","15","5533","","10.1021/om300506v","","","0.71073","MoKα","","0.0433","0.0383","","","0.0936","0.0963","","","","","","1.02","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078899","13.0649","0.0008","13.8904","0.0008","24.7436","0.0015","90","","102.165","0.001","90","","4389.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 B Cl2 F4 Ir N6 O -","- C44 H30 B Cl2 F4 Ir N6 O -","- C176 H120 B4 Cl8 F16 Ir4 N24 O4 -","4","1","","Rahaman, S. M. Wahidur; Dinda, Shrabani; Ghatak, Tapas; Bera, Jitendra K.","Carbon Monoxide Induced Double Cyclometalation at the Iridium Center","Organometallics","2012","31","15","5533","","10.1021/om300506v","","","0.71073","MoKα","","0.0669","0.0442","","","0.0886","0.1049","","","","","","1.059","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078900","11.2041","0.0011","22.758","0.002","21.031","0.002","90","","92.144","0.002","90","","5358.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 Li8 O9 -","- C64 H72 Li8 O9 -","- C256 H288 Li32 O36 -","4","1","","Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Petrukhina, Marina A.","Self-Assembly of Charged Supramolecular Sandwiches Formed by Corannulene Tetraanions and Lithium Cations","Organometallics","2012","31","15","5541","","10.1021/om300507z","","","0.71073","Mo-Kα","","0.0946","0.0572","","","0.0911","0.1041","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078901","8.1564","0.0004","13.2101","0.0006","14.2977","0.0007","108.985","0.004","102.089","0.004","98.667","0.004","1383.96","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 I3 Ir N5 -","- C20 H29 I3 Ir N5 -","- C40 H58 I6 Ir2 N10 -","2","1","","Segarra, Candela; Mas-Marzá, Elena; Mata, José A.; Peris, Eduardo","Rhodium and Iridium Complexes with ChelatingC‒C′-Imidazolylidene‒Pyridylidene Ligands: Systematic Approach to Normal, Abnormal, and Remote Coordination Modes","Organometallics","2012","31","14","5169","","10.1021/om3005096","","","0.71073","MoKα","","0.045","0.0322","","","0.0689","0.0769","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078902","7.3202","0.0006","11.6155","0.0013","27.281","0.002","90","","90","","90","","2319.6","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H20 I3 N5 O2 Rh -","- C14 H21 I3 N5 O2 Rh -","- C56 H84 I12 N20 O8 Rh4 -","4","0.5","","Segarra, Candela; Mas-Marzá, Elena; Mata, José A.; Peris, Eduardo","Rhodium and Iridium Complexes with ChelatingC‒C′-Imidazolylidene‒Pyridylidene Ligands: Systematic Approach to Normal, Abnormal, and Remote Coordination Modes","Organometallics","2012","31","14","5169","","10.1021/om3005096","","","0.71073","MOKα","","0.063","0.0432","","","0.0839","0.0931","","","","","","1.212","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078903","11.3673","0.0004","24.5851","0.0007","7.6286","0.0003","90","","100.612","0.003","90","","2095.47","0.13","199.95","0.1","199.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 I3 N5 Rh -","- C14 H17 I3 N5 Rh -","- C56 H68 I12 N20 Rh4 -","4","1","","Segarra, Candela; Mas-Marzá, Elena; Mata, José A.; Peris, Eduardo","Rhodium and Iridium Complexes with ChelatingC‒C′-Imidazolylidene‒Pyridylidene Ligands: Systematic Approach to Normal, Abnormal, and Remote Coordination Modes","Organometallics","2012","31","14","5169","","10.1021/om3005096","","","0.7107","MoKα","","0.0636","0.0417","","","0.0945","0.1056","","","","","","1.057","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078904","10.181","0.0006","11.0855","0.0005","12.6852","0.0007","107.112","0.004","94.167","0.004","112.461","0.005","1236.42","0.13","220","0.1","220","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 I3 Ir N6 -","- C17 H22 I3 Ir N6 -","- C34 H44 I6 Ir2 N12 -","2","1","","Segarra, Candela; Mas-Marzá, Elena; Mata, José A.; Peris, Eduardo","Rhodium and Iridium Complexes with ChelatingC‒C′-Imidazolylidene‒Pyridylidene Ligands: Systematic Approach to Normal, Abnormal, and Remote Coordination Modes","Organometallics","2012","31","14","5169","","10.1021/om3005096","","","0.7107","MoKα","","0.0853","0.0462","","","0.1021","0.1253","","","","","","1.03","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078905","12.1324","0.0012","12.8187","0.0015","12.7936","0.0015","90","","97.575","0.003","90","","1972.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 Nb O Si2 -","- C17 H27 Nb O Si2 -","- C68 H108 Nb4 O4 Si8 -","4","1","","Antiñolo, Antonio; Dorani, Khédidja; García-Yuste, Santiago; López-Solera, Isabel; Otero, Antonio; Tercero-Morales, María Teresa; Kovács, Gábor; Ujaque, Gregori; Lledós, Agustí","Experimental and Theoretical Studies of the Hydrogenation of α,β-Unsaturated Acids by an 18eHydride Carbonylniobocene Complex","Organometallics","2012","31","14","5177","","10.1021/om300510m","","","0.71073","MoKα","","0.0483","0.0365","","","0.0871","0.0916","","","","","","0.961","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078906","10.9419","0.0014","12.9169","0.0017","21.3","0.003","84.167","0.002","76.817","0.002","80.056","0.002","2881","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H67 N3 O P2 Ru -","- C68 H67 N3 O P2 Ru -","- C136 H134 N6 O2 P4 Ru2 -","2","1","","Liu, Pei Nian; Li, Juan; Su, Fu Hai; Ju, Kun Dong; Zhang, Li; Shi, Chuan; Sung, Herman H. Y.; Williams, Ian D.; Fokin, Valery V.; Lin, Zhenyang; Jia, Guochen","Selective Formation of 1,4-Disubstituted Triazoles from Ruthenium-Catalyzed Cycloaddition of Terminal Alkynes and Organic Azides: Scope and Reaction Mechanism","Organometallics","2012","31","13","4904","","10.1021/om300513w","","","0.71073","MoKα","","0.0536","0.0358","","","0.0716","0.0757","","","","","","0.993","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078907","5.9355","0.0005","11.14","0.001","11.9239","0.0011","81.134","0.008","78.547","0.008","87.266","0.007","763.37","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","","Liu, Pei Nian; Li, Juan; Su, Fu Hai; Ju, Kun Dong; Zhang, Li; Shi, Chuan; Sung, Herman H. Y.; Williams, Ian D.; Fokin, Valery V.; Lin, Zhenyang; Jia, Guochen","Selective Formation of 1,4-Disubstituted Triazoles from Ruthenium-Catalyzed Cycloaddition of Terminal Alkynes and Organic Azides: Scope and Reaction Mechanism","Organometallics","2012","31","13","4904","","10.1021/om300513w","","","1.54178","CuKα","","0.049","0.0422","","","0.1132","0.1174","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078908","10.5386","0.0011","11.7472","0.0012","12.8934","0.0014","90","","90","","90","","1596.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 B10 F3 N3 O2 -","- C6 H18 B10 F3 N3 O2 -","- C24 H72 B40 F12 N12 O8 -","4","1","","El-Zaria, Mohamed E.; Janzen, Nancy; Valliant, John F.","Room-Temperature Synthesis of Re(I) and Tc(I) Metallocarboranes","Organometallics","2012","31","16","5940","","10.1021/om300521j","","","0.71073","MoKα","","0.053","0.043","","","0.0965","0.1023","","","","","","1.038","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078909","6.792","0.0008","17.2469","0.0019","10.1981","0.0012","90","","108.321","0.002","90","","1134.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H18 B9 N3 -","- C4 H18 B9 N3 -","- C16 H72 B36 N12 -","4","1","","El-Zaria, Mohamed E.; Janzen, Nancy; Valliant, John F.","Room-Temperature Synthesis of Re(I) and Tc(I) Metallocarboranes","Organometallics","2012","31","16","5940","","10.1021/om300521j","","","0.71073","MoKα","","0.0668","0.0495","","","0.1109","0.1217","","","","","","1.073","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078910","10.168","0.004","12.973","0.004","10.443","0.004","90","","100.306","0.006","90","","1355.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 B10 N4 O2 -","- C4.006 H16.033 B10.03 N4 O2 -","- C16.024 H64.132 B40.12 N16 O8 -","4","1","","El-Zaria, Mohamed E.; Janzen, Nancy; Valliant, John F.","Room-Temperature Synthesis of Re(I) and Tc(I) Metallocarboranes","Organometallics","2012","31","16","5940","","10.1021/om300521j","","","0.71073","MoKα","","0.167","0.118","","","0.2854","0.3209","","","","","","1.032","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078911","12.0868","0.0008","13.6079","0.0009","10.8596","0.0007","90","","97.94","0.003","90","","1769","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 B10 F3 N3 O2 -","- C8 H22 B10 F3 N3 O2 -","- C32 H88 B40 F12 N12 O8 -","4","1","","El-Zaria, Mohamed E.; Janzen, Nancy; Valliant, John F.","Room-Temperature Synthesis of Re(I) and Tc(I) Metallocarboranes","Organometallics","2012","31","16","5940","","10.1021/om300521j","","","1.54178","CuKα","","0.0918","0.0818","","","0.2486","0.2565","","","","","","1.527","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078912","7.0444","0.0002","13.8224","0.0003","14.3463","0.0003","90","","103.927","0.001","90","","1355.84","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 B9 N3 -","- C6 H22 B9 N3 -","- C24 H88 B36 N12 -","4","1","","El-Zaria, Mohamed E.; Janzen, Nancy; Valliant, John F.","Room-Temperature Synthesis of Re(I) and Tc(I) Metallocarboranes","Organometallics","2012","31","16","5940","","10.1021/om300521j","","","1.54178","CuKα","","0.0463","0.0437","","","0.1272","0.131","","","","","","1.047","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078913","12.9954","0.0001","22.885","0.0002","20.2845","0.0002","90","","93.038","0.0006","90","","6024.13","0.09","200","","200","","","","","","","","local","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 F8 P4 Pd2 -","- C72 H50 F8 P4 Pd2 -","- C288 H200 F32 P16 Pd8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0509","0.0256","","0.0754","0.0572","0.0754","","","","","","0.9632","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078914","13.1071","0.0002","23.2833","0.0002","20.0903","0.0003","90","","93.2236","0.0006","90","","6121.39","0.14","200","","200","","","","","","","","from RMIT University","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 As2 F8 P2 Pd2 -","- C72 H50 As2 F8 P2 Pd2 -","- C288 H200 As8 F32 P8 Pd8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0738","0.0415","","0.0757","0.0696","0.0757","","","","","","0.9572","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078915","19.7128","0.0003","21.4914","0.0003","13.9542","0.0002","90","","90","","90","","5911.78","0.15","200","","200","","","","","","","","from RMITU","6","P b c n","-P 2n 2ab","60","","","","- C64 H56 F8 N2 P2 Pd2 -","- C64 H56 F8 N2 P2 Pd2 -","- C256 H224 F32 N8 P8 Pd8 -","4","0.5","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0538","0.0267","","0.1278","0.0869","0.1278","","","","","","0.9409","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078916","12.2048","0.0002","12.2048","0.0002","30.1528","0.0004","90","","90","","90","","4491.47","0.12","200","","200","","","","","","","","from RMITU","6","P 41 21 2","P 4abw 2nw","92","","","","- C46 H38 F8 N2 P2 Pd2 -","- C46 H38 F8 N2 P2 Pd2 -","- C184 H152 F32 N8 P8 Pd8 -","4","0.5","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0268","0.0204","","0.0537","0.0491","0.0537","","","","","","0.9069","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078917","12.9761","0.0001","22.8436","0.0002","20.3033","0.0001","90","","92.9339","0.0004","90","","6010.43","0.08","200","","200","","","","","","","","from RMITU","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 F8 P4 Pt2 -","- C72 H50 F8 P4 Pt2 -","- C288 H200 F32 P16 Pt8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0317","0.0225","","0.0618","0.0507","0.0618","","","","","","0.7736","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078918","15.1933","0.0007","16.7722","0.0008","17.8033","0.0008","90","","109.532","0.001","90","","4275.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 F8 N2 P2 Pt2 -","- C46 H38 F8 N2 P2 Pt2 -","- C184 H152 F32 N8 P8 Pt8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0692","0.0376","","","0.06","0.0655","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078919","12.801","0.0002","14.8766","0.0003","20.1361","0.0004","106.509","0.001","93.0296","0.0012","105.503","0.001","3508.17","0.12","200","","200","","","","","","","","from RMITU","7","P -1","-P 1","2","","","","- C74 H54 Cl4 F14 I P5 Pt2 -","- C74 H54 Cl4 F14 I P5 Pt2 -","- C148 H108 Cl8 F28 I2 P10 Pt4 -","2","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.074","0.0583","","0.1118","0.1047","0.1118","","","","","","0.9763","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078920","11.3916","0.0002","21.724","0.0004","44.4879","0.0008","90","","90","","90","","11009.5","0.3","200","","200","","","","","","","","from RMIT University","6","P 21 21 21","P 2ac 2ab","19","","","","- C119 H88 F16 I4 P6 Pd4 -","- C119 H88 F16 I4 P6 Pd4 -","- C476 H352 F64 I16 P24 Pd16 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0405","0.0292","","0.0937","0.0759","0.0937","","","","","","0.7691","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078921","17.0645","0.0006","16.4054","0.0006","16.9043","0.0006","90","","90","","90","","4732.4","0.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H35 Cl2 F8 P3 Pd2 -","- C54 H35 Cl2 F8 P3 Pd2 -","- C216 H140 Cl8 F32 P12 Pd8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0426","0.0306","","","0.0635","0.0668","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078922","18.0043","0.0004","17.8269","0.0005","18.876","0.0005","90","","94.7219","0.0017","90","","6037.9","0.3","200","","200","","","","","","","","from RMIT University","6","P 1 21/a 1","-P 2yab","14","","","","- C61 H44 F8 I P3 Pd2 -","- C61 H44 F8 I P3 Pd2 -","- C244 H176 F32 I4 P12 Pd8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0976","0.0438","","0.1118","0.0971","0.1118","","","","","","0.8295","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078923","11.3738","0.0001","32.8254","0.0003","12.0304","0.0001","90","","98.3916","0.0005","90","","4443.46","0.07","200","","200","","","","","","","","from RMITU","5","P 1 21/a 1","-P 2yab","14","","","","- C54 H35 F8 P3 Pd -","- C54 H35 F8 P3 Pd -","- C216 H140 F32 P12 Pd4 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0469","0.0314","","0.0685","0.0641","0.0685","","","","","","0.9697","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078924","8.9496","0.0002","16.0002","0.0003","18.8016","0.0004","90","","90.837","0.001","90","","2692.02","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H41 Br Si5 -","- C20 H41 Br Si5 -","- C80 H164 Br4 Si20 -","4","1","","Cho, Hyeon Mo; Bok, Kyongjin; Park, Seo Hyeon; Lim, Young Mook; Lee, Myong Euy; Choi, Moon-Gun; Lee, Kang Mun","A New Synthetic Route for Silacyclopropanes: Reactions of a Bromosilylenoid with Olefins","Organometallics","2012","31","15","5227","","10.1021/om3005349","","","1.54178","CuKα","","0.0629","0.0379","","","0.0796","0.0895","","","","","","1.066","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078925","13.2528","0.0017","12.3497","0.0014","31.634","0.004","90","","90","","90","","5177.5","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H39 Br O Si4 -","- C19 H39 Br O Si4 -","- C152 H312 Br8 O8 Si32 -","8","1","","Cho, Hyeon Mo; Bok, Kyongjin; Park, Seo Hyeon; Lim, Young Mook; Lee, Myong Euy; Choi, Moon-Gun; Lee, Kang Mun","A New Synthetic Route for Silacyclopropanes: Reactions of a Bromosilylenoid with Olefins","Organometallics","2012","31","15","5227","","10.1021/om3005349","","","0.71073","MoKα","","0.1038","0.049","","","0.1299","0.1863","","","","","","1.001","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078926","9.2548","0.0007","24.9766","0.0018","14.0908","0.001","90","","91.183","0.001","90","","3256.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H56 B2 P2 -","- C31 H56 B2 P2 -","- C124 H224 B8 P8 -","4","1","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","0.71073","MoKα","","0.0717","0.0545","","","0.1405","0.1542","","","","","","1.011","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078927","33.225","0.009","9.898","0.003","18.448","0.004","90","","121.377","0.003","90","","5180","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H72 P4 Pd -","- C57 H72 P4 Pd -","- C228 H288 P16 Pd4 -","4","0.5","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","0.71073","MoKα","","0.0505","0.0396","","","0.1189","0.1263","","","","","","1.039","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078928","33.135","0.004","9.8628","0.001","18.4542","0.0019","90","","121.312","0.002","90","","5152.5","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H72 P4 Pt -","- C57 H72 P4 Pt -","- C228 H288 P16 Pt4 -","4","0.5","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","0.71073","MoKα","","0.0418","0.0375","","","0.1002","0.102","","","","","","1.08","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078929","13.735","0.008","17.118","0.008","20.647","0.011","90","","90","","90","","4854","4","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C49 H76 P4 Pt -","- C49 H76 P4 Pt -","- C196 H304 P16 Pt4 -","4","0.5","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","0.71073","MoKα","","0.0198","0.018","","","0.0372","0.0379","","","","","","1.002","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078930","13.446","0.001","13.446","0.001","66.635","0.007","90","","90","","120","","10433.2","1.6","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C65 H88 F6 O7 P4 Pd S2 -","- C65 H88 F6 O7 P4 Pd S2 -","- C390 H528 F36 O42 P24 Pd6 S12 -","6","1","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","1.54178","CuKα","","0.0534","0.0496","","","0.1317","0.1344","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078931","13.4616","0.0002","13.4616","0.0002","66.2129","0.0015","90","","90","","120","","10391.2","0.3","100","2","100","2","","","","","","","","7","P 61","P 61","169","","","","- C65 H88 F6 O7 P4 Pt S2 -","- C61 H78 F6 O6 P4 Pt S2 -","- C366 H468 F36 O36 P24 Pt6 S12 -","6","1","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","1.54178","CuKα","","0.0411","0.0398","","","0.0983","0.099","","","","","","1.093","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078932","11.915","0.007","13.515","0.008","21.619","0.013","73.777","0.007","77.495","0.008","68.875","0.009","3092","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H78 F6 O6 P4 Pt S2 -","- C61 H78 F6 O6 P4 Pt S2 -","- C122 H156 F12 O12 P8 Pt2 S4 -","2","1","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","0.71073","MoKα","","0.0565","0.0468","","","0.1118","0.1173","","","","","","1.033","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078933","11.5032","0.0017","12.3428","0.0018","21.855","0.003","100.45","0.007","93.729","0.007","104.277","0.007","2937.6","0.7","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H51 Cl4 F5 N3 O3 P2 Pt Re -","- C62 H51 Cl4 F5 N3 O3 P2 Pt Re -","- C124 H102 Cl8 F10 N6 O6 P4 Pt2 Re2 -","2","1","","Clough, Melissa C.; Zeits, Paul D.; Bhuvanesh, Nattamai; Gladysz, John A.","Toward Permetalated Alkyne/Azide 3 + 2 or “Click” Cycloadducts","Organometallics","2012","31","15","5231","","10.1021/om300542a","","","1.54178","CuKα","","0.031","0.0225","","","0.0471","0.0484","","","","","","1.045","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078934","12.1623","0.0016","46.074","0.006","11.9613","0.0016","90","","90","","90","","6702.7","1.5","110","2","110","2","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C66 H51 Br Cl4 F5 N3 O7 P2 Pt Re2 -","- C66 H51 Br Cl4 F5 N3 O7 P2 Pt Re2 -","- C264 H204 Br4 Cl16 F20 N12 O28 P8 Pt4 Re8 -","4","1","","Clough, Melissa C.; Zeits, Paul D.; Bhuvanesh, Nattamai; Gladysz, John A.","Toward Permetalated Alkyne/Azide 3 + 2 or “Click” Cycloadducts","Organometallics","2012","31","15","5231","","10.1021/om300542a","","","0.71073","MoKα","","0.029","0.0264","","","0.0668","0.0678","","","","","","1.043","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078935","12.815","0.003","24.031","0.006","24.532","0.006","90","","102.149","0.012","90","","7386","3","296","2","296","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C67 H50 Cl2 F8 N3 O11 P2 Pt Re2 S -","- C67 H50 Cl2 F8 N3 O11 P2 Pt Re2 S -","- C268 H200 Cl8 F32 N12 O44 P8 Pt4 Re8 S4 -","4","1","","Clough, Melissa C.; Zeits, Paul D.; Bhuvanesh, Nattamai; Gladysz, John A.","Toward Permetalated Alkyne/Azide 3 + 2 or “Click” Cycloadducts","Organometallics","2012","31","15","5231","","10.1021/om300542a","","","0.71073","MoKα","","0.0615","0.0429","","","0.0971","0.1023","","","","","","1.05","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078936","18.3638","0.0009","16.0124","0.0008","20.077","0.001","90","","117.155","0.0006","90","","5252.9","0.5","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 N2 Y -","- C27 H45 N2 Y -","- C216 H360 N16 Y8 -","8","2","","Schmiege, Benjamin M.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Y3+Tuck-Over Hydride Complex, (C5Me5)2Y(μ-H)(μ-CH2C5Me4)Y(C5Me5)","Organometallics","2012","31","15","5591","","10.1021/om300546t","","","0.71073","MoKα","","0.0652","0.0413","","","0.0905","0.0988","","","","","","1.031","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078937","11.4771","0.0007","14.494","0.0009","30.0175","0.0018","90","","93.559","0.001","90","","4983.8","0.5","148","2","148","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 F6 O6 S2 Y2 -","- C48 H66 F6 O6 S2 Y2 -","- C192 H264 F24 O24 S8 Y8 -","4","1","","Schmiege, Benjamin M.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Y3+Tuck-Over Hydride Complex, (C5Me5)2Y(μ-H)(μ-CH2C5Me4)Y(C5Me5)","Organometallics","2012","31","15","5591","","10.1021/om300546t","","","0.71073","MoKα","","0.0436","0.0342","","","0.0835","0.0883","","","","","","1.047","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078938","19.2433","0.0006","16.9361","0.0006","14.1667","0.0005","90","","116.072","0.0004","90","","4147.2","0.2","98","2","98","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H65 Cl Y2 -","- C46 H64.98 Cl Y2 -","- C184 H259.92 Cl4 Y8 -","4","1","","Schmiege, Benjamin M.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Y3+Tuck-Over Hydride Complex, (C5Me5)2Y(μ-H)(μ-CH2C5Me4)Y(C5Me5)","Organometallics","2012","31","15","5591","","10.1021/om300546t","","","0.71073","MoKα","","0.0285","0.0253","","","0.0608","0.062","","","","","","1.047","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078939","9.286","0.005","9.748","0.005","16.543","0.008","101.782","0.007","96.075","0.008","90.978","0.008","1456.5","1.3","174","2","174","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 F3 O6 P Pd S -","- C26 H40 F3 O6 P Pd S -","- C52 H80 F6 O12 P2 Pd2 S2 -","2","1","","Shi, Yang; Brenner, Peter; Bertsch, Stefanie; Radacki, Krzysztof; Dewhurst, Rian D.","η3-Furfuryl and η3-Thienyl Complexes of Palladium and Platinum of Relevance to the Functionalization of Biomass-Derived Furans","Organometallics","2012","31","15","5599","","10.1021/om300568z","","","0.71073","MoKα","","0.0453","0.0401","","","0.0991","0.1027","","","","","","1.103","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078940","10.667","0.008","12.393","0.009","17.272","0.013","74.868","0.011","76.251","0.011","77.722","0.011","2113","3","174","2","174","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H39 B Cl2 F4 O3 P2 Pt -","- C44 H39 B Cl2 F4 O3 P2 Pt -","- C88 H78 B2 Cl4 F8 O6 P4 Pt2 -","2","1","","Shi, Yang; Brenner, Peter; Bertsch, Stefanie; Radacki, Krzysztof; Dewhurst, Rian D.","η3-Furfuryl and η3-Thienyl Complexes of Palladium and Platinum of Relevance to the Functionalization of Biomass-Derived Furans","Organometallics","2012","31","15","5599","","10.1021/om300568z","","","0.71073","MoKα","","0.0383","0.0326","","","0.0784","0.081","","","","","","1.06","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078941","9.896","0.0011","22.181","0.002","18.154","0.002","90","","96.908","0.003","90","","3955.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 B Cl2 F4 O2 P2 Pd -","- C43 H37 B Cl2 F4 O2 P2 Pd -","- C172 H148 B4 Cl8 F16 O8 P8 Pd4 -","4","1","","Shi, Yang; Brenner, Peter; Bertsch, Stefanie; Radacki, Krzysztof; Dewhurst, Rian D.","η3-Furfuryl and η3-Thienyl Complexes of Palladium and Platinum of Relevance to the Functionalization of Biomass-Derived Furans","Organometallics","2012","31","15","5599","","10.1021/om300568z","","","0.71073","MoKα","","0.0762","0.0411","","","0.081","0.0913","","","","","","1.01","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078942","13.274","0.0005","16.7105","0.0004","14.4848","0.0005","90","","108.107","0.004","90","","3053.84","0.19","199.95","0.1","199.95","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H30 I3 Ir N7 Pd -","- C23 H30 I3 Ir N7 Pd -","- C92 H120 I12 Ir4 N28 Pd4 -","4","2","","Gonell, Sergio; Poyatos, Macarena; Mata, José A.; Peris, Eduardo","Y-Shaped Tris-N-Heterocyclic-Carbene Ligand for the Preparation of Multifunctional Catalysts of Iridium, Rhodium, and Palladium","Organometallics","2012","31","15","5606","","10.1021/om300569w","","","0.7107","MoKα","","0.063","0.043","","","0.0525","0.0582","","","","","","1.026","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078943","10.4283","0.0003","12.2666","0.0003","11.9217","0.0003","90","","96.174","0.002","90","","1516.18","0.07","200","0.1","200","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H31 I3 N6 O2 Rh2 -","- C23 H31 I3 N6 O2 Rh2 -","- C46 H62 I6 N12 O4 Rh4 -","2","0.5","","Gonell, Sergio; Poyatos, Macarena; Mata, José A.; Peris, Eduardo","Y-Shaped Tris-N-Heterocyclic-Carbene Ligand for the Preparation of Multifunctional Catalysts of Iridium, Rhodium, and Palladium","Organometallics","2012","31","15","5606","","10.1021/om300569w","","","0.7107","MoKα","","0.0541","0.0356","","","0.0823","0.0936","","","","","","1.065","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078944","10.991","0.001","14.022","0.001","17.523","0.001","90","","99.068","0.001","90","","2666.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 N2 P2 Sm -","- C26 H34 N2 P2 Sm -","- C104 H136 N8 P8 Sm4 -","4","1","","Labouille, Stéphanie; Nief, François; Le Goff, Xavier-Frédéric; Maron, Laurent; Kindra, Douglas R.; Houghton, Heidi L.; Ziller, Joseph W.; Evans, William J.","Ligand Influence on the Redox Chemistry of Organosamarium Complexes: Experimental and Theoretical Studies of the Reactions of (C5Me5)2Sm(THF)2and (C4Me4P)2Sm with Pyridine and Acridine","Organometallics","2012","31","14","5196","","10.1021/om300573z","","","0.71069","MoKα","","0.0459","0.0364","","","0.0838","0.0897","","","","","","1.123","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078945","10.1899","0.0006","14.1166","0.0009","22.5205","0.0014","90","","95.9632","0.0007","90","","3222","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H96 N4 Sm2 -","- C74 H96 N4 Sm2 -","- C148 H192 N8 Sm4 -","2","0.5","","Labouille, Stéphanie; Nief, François; Le Goff, Xavier-Frédéric; Maron, Laurent; Kindra, Douglas R.; Houghton, Heidi L.; Ziller, Joseph W.; Evans, William J.","Ligand Influence on the Redox Chemistry of Organosamarium Complexes: Experimental and Theoretical Studies of the Reactions of (C5Me5)2Sm(THF)2and (C4Me4P)2Sm with Pyridine and Acridine","Organometallics","2012","31","14","5196","","10.1021/om300573z","","","0.71073","MoKα","","0.0236","0.0206","","","0.051","0.0527","","","","","","1.03","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078946","27.985","0.001","16.497","0.001","23.894","0.001","90","","105.501","0.001","90","","10629.9","0.9","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H66 N2 P4 Sm2 -","- C58 H66 N2 P4 Sm2 -","- C464 H528 N16 P32 Sm16 -","8","1","","Labouille, Stéphanie; Nief, François; Le Goff, Xavier-Frédéric; Maron, Laurent; Kindra, Douglas R.; Houghton, Heidi L.; Ziller, Joseph W.; Evans, William J.","Ligand Influence on the Redox Chemistry of Organosamarium Complexes: Experimental and Theoretical Studies of the Reactions of (C5Me5)2Sm(THF)2and (C4Me4P)2Sm with Pyridine and Acridine","Organometallics","2012","31","14","5196","","10.1021/om300573z","","","0.71069","MoKα","","0.1037","0.0874","","","0.2383","0.2494","","","","","","1.075","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078947","9.5014","0.0006","16.8738","0.001","17.3714","0.001","64.013","0.001","88.208","0.001","78.191","0.001","2445.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H86 Li4 N7 Si4 -","- C37 H86 Li4 N7 Si4 -","- C74 H172 Li8 N14 Si8 -","2","1","","Tatić, Tanja; Hermann, Stefanie; Stalke, Dietmar","The [(DABCO)7·(LiCH2SiMe3)8] Octamer: More Aggregated than the Parent Starting Material [LiCH2SiMe3]6but Also Higher in Reactivity","Organometallics","2012","31","15","5615","","10.1021/om3005806","","","0.71073","MoKα","","0.0483","0.0361","","","0.0899","0.0965","","","","","","1.048","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078948","11.7666","0.001","16.057","0.0013","12.2524","0.001","90","","90.028","0.001","90","","2314.9","0.3","99","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 Li2 N4 -","- C26 H38 Li2 N4 -","- C104 H152 Li8 N16 -","4","2","","Tatić, Tanja; Hermann, Stefanie; Stalke, Dietmar","The [(DABCO)7·(LiCH2SiMe3)8] Octamer: More Aggregated than the Parent Starting Material [LiCH2SiMe3]6but Also Higher in Reactivity","Organometallics","2012","31","15","5615","","10.1021/om3005806","","","0.71073","MoKα","","0.0379","0.0367","","","0.0993","0.1006","","","","","","1.126","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078949","12.204","0.003","20.28","0.004","12.185","0.003","90","","115.654","0.003","90","","2718.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac-Dichloro[(1,2,3,3a,7a-η)-1-[2-(methylsulfanyl-κS-1-naphthyl]- 2-methyl-1H-inden-1-yl]rhodium","","- C23 H17 Cl8 D2 Rh S -","- C23 H17 Cl8 D2 Rh S -","- C92 H68 Cl32 D8 Rh4 S4 -","4","1","","Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter","Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)","Organometallics","2012","31","15","5622","","10.1021/om300581r","","","0.71073","MoKα","","0.032","0.0252","","","0.0607","0.0645","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078950","7.5412","0.0002","10.2627","0.0002","11.2341","0.0003","95.955","0.001","90.173","0.001","108.842","0.001","817.79","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(aR*,R~s~*)-1-(2-Methyl-1H-inden-3-yl)-2-(methylsulfinyl)naphthalene","","- C21 H18 O S -","- C21 H18 O S -","- C42 H36 O2 S2 -","2","1","","Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter","Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)","Organometallics","2012","31","15","5622","","10.1021/om300581r","","","0.71073","MoKα","","0.0391","0.035","","","0.1","0.1043","","","","","","1.068","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078951","14.2599","0.0001","21.481","0.0002","31.5683","0.0003","90","","90","","90","","9669.9","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(pR*,S~S~*)-Dichloro[(1,2,3,3a,7a-η)-1-[2-(methylsulfinyl-κS)-naphthyl]- 2-methyl-1H-inden-1-yl]rhodium","","- C26.45 H22.5 Cl2.1 O Rh S -","- C26.45 H22.5 Cl2.1 O Rh S -","- C423.2 H360 Cl33.6 O16 Rh16 S16 -","16","2","","Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter","Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)","Organometallics","2012","31","15","5622","","10.1021/om300581r","","","0.71073","MoKα","","0.0391","0.0328","","","0.095","0.1002","","","","","","1.485","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078952","12.3101","0.0009","10.2161","0.0007","18.6589","0.0013","90","","91.306","0.003","90","","2346","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(pR*,R~S~*)-Dichloro[(1,2,3,3a,7a-η)-1-[2-(methylsulfinyl-κS)-1-naphthyl]- 2-methyl-1H-inden-1-yl]rhodium","","- C22 H17 Cl5 D O Rh S -","- C22 H17 Cl5 D O Rh S -","- C88 H68 Cl20 D4 O4 Rh4 S4 -","4","1","","Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter","Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)","Organometallics","2012","31","15","5622","","10.1021/om300581r","","","0.71073","MoKα","","0.0266","0.0205","","","0.061","0.0816","","","","","","1.349","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078953","10.69015","0.00018","14.5286","0.0002","15.0235","0.0002","90","","90","","90","","2333.34","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(pS,S~S~)-Dichloro[(1,2,3,3a,7a-η)-1-[2-(methylsulfinyl-κS)-1-naphthyl]- 2-methyl-1H-inden-1-yl]rhodium","","- C27 H23 Cl2 O Rh S -","- C27 H23 Cl2 O Rh S -","- C108 H92 Cl8 O4 Rh4 S4 -","4","1","","Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter","Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)","Organometallics","2012","31","15","5622","","10.1021/om300581r","","","0.71073","MoKα","","0.0542","0.0385","","","0.0449","0.0474","","","","","","1.201","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078954","10.9155","0.0007","9.966","0.0007","11.6419","0.0008","90","","115.278","0.002","90","","1145.18","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H10 B F15 -","- C24 H10 B F15 -","- C48 H20 B2 F30 -","2","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0356","0.0294","","","0.0655","0.0688","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078955","11.2573","0.0006","11.8997","0.0006","15.2899","0.0008","78.641","0.003","71.732","0.003","67.422","0.002","1789.05","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 B F15 P -","- C38 H33 B F15 P -","- C76 H66 B2 F30 P2 -","2","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0947","0.0566","","","0.1349","0.1546","","","","","","1.018","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078956","11.2252","0.0003","18.7357","0.0005","19.1203","0.0006","90","","90","","90","","4021.2","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 B F15 P -","- C44 H37 B F15 P -","- C176 H148 B4 F60 P4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0541","0.0459","","","0.115","0.1211","","","","","","1.05","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078957","18.4883","0.001","18.5351","0.0011","19.2487","0.0011","90","","90","","90","","6596.2","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H31 B F15 P -","- C33 H31 B F15 P -","- C264 H248 B8 F120 P8 -","8","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0766","0.0516","","","0.1332","0.1501","","","","","","1.039","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078958","11.0573","0.0006","13.0147","0.0007","13.9942","0.0007","81.889","0.002","88.595","0.003","85.825","0.002","1988.23","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 B F15 P -","- C41 H31 B F15 P -","- C82 H62 B2 F30 P2 -","2","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.085","0.0579","","","0.1539","0.1728","","","","","","1.045","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078959","9.8745","0.0006","18.2413","0.001","23.7744","0.0013","90","","90","","90","","4282.3","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H36 B F15 P -","- C47 H36 B F15 P -","- C188 H144 B4 F60 P4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.111","0.0728","","","0.189","0.2161","","","","","","1.03","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078960","9.9252","0.0003","20.0004","0.0011","18.3802","0.0007","90","","93.002","0.003","90","","3643.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 B F15 P -","- C35 H39 B F15 P -","- C140 H156 B4 F60 P4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","1.54178","CuKα","","0.1015","0.0889","","","0.2526","0.2672","","","","","","1.05","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078961","37.44","0.003","9.7274","0.0006","24.1227","0.0017","90","","120.714","0.003","90","","7553","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H37 B F15 P -","- C38 H37 B F15 P -","- C304 H296 B8 F120 P8 -","8","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0889","0.0528","","","0.1185","0.1413","","","","","","1.013","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078962","10.2586","0.0003","12.1826","0.0005","16.1736","0.0005","89.894","0.003","77.848","0.002","71.794","0.004","1872.65","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 B F15 P -","- C36 H39 B F15 P -","- C72 H78 B2 F30 P2 -","2","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","1.54178","CuKα","","0.0769","0.0729","","","0.2153","0.2201","","","","","","1.051","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078963","8.8564","0.001","12.5788","0.0015","17.423","0.002","81.339","0.005","79.73","0.005","73.098","0.006","1817.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 B F15 P -","- C36 H39 B F15 P -","- C72 H78 B2 F30 P2 -","2","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.1142","0.0507","","","0.0947","0.1169","","","","","","1.004","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078964","13.2049","0.0003","16.7532","0.0004","17.8062","0.0006","90","","98.306","0.002","90","","3897.85","0.18","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H43 B F15 P -","- C38 H43 B F15 P -","- C152 H172 B4 F60 P4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","1.54178","CuKα","","0.0466","0.0415","","","0.1059","0.1103","","","","","","1.047","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078965","13.3052","0.0002","15.4057","0.0004","20.3224","0.0005","90","","90","","90","","4165.6","0.16","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H39 B F15 P -","- C44 H39 B F15 P -","- C176 H156 B4 F60 P4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","1.54178","CuKα","","0.0363","0.0352","","","0.0848","0.0858","","","","","","1.052","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078966","9.5401","0.0003","19.9821","0.0006","17.8109","0.0005","90","","97.067","0.002","90","","3369.52","0.17","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H29 B F15 N -","- C34.5 H29 B F15 N -","- C138 H116 B4 F60 N4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","1.54178","CuKα","","0.0678","0.0576","","","0.1587","0.169","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078967","9.5328","0.001","10.7889","0.0011","11.9834","0.0012","90","","90","","90","","1232.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","","Fernández-Moreira, Vanesa; Ortego, M. Lourdes; Williams, Catrin F.; Coogan, Michael P.; Villacampa, M. Dolores; Gimeno, M. Concepción","Bioconjugated Rhenium(I) Complexes with Amino Acid Derivatives: Synthesis, Photophysical Properties, and Cell Imaging Studies","Organometallics","2012","31","16","5950","","10.1021/om300610j","","","0.71073","MoKα","","0.0365","0.0333","","","0.0758","0.0775","","","","","","1.064","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078968","8.88","0.0018","24.12","0.005","13.24","0.003","90","","96.9","0.03","90","","2815.3","1.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H25 B F4 N4 O6.5 Re -","- C25 H24 B F4 N4 O6.5 Re -","- C100 H96 B4 F16 N16 O26 Re4 -","4","2","","Fernández-Moreira, Vanesa; Ortego, M. Lourdes; Williams, Catrin F.; Coogan, Michael P.; Villacampa, M. Dolores; Gimeno, M. Concepción","Bioconjugated Rhenium(I) Complexes with Amino Acid Derivatives: Synthesis, Photophysical Properties, and Cell Imaging Studies","Organometallics","2012","31","16","5950","","10.1021/om300610j","","","0.71073","MoKα","","0.0683","0.0516","","","0.0953","0.1011","","","","","","1.047","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078969","9.582","0.0019","20.496","0.004","10.647","0.002","90","","106.92","0.03","90","","2000.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 O3 P Pd -","- C18 H23 N4 O4 P Pd -","- C72 H92 N16 O16 P4 Pd4 -","4","1","","Carreira, Monica; Calvo-Sanjuán, Rubén; Sanaú, Mercedes; Marzo, Isabel; Contel, María","Organometallic Palladium Complexes with a Water-Soluble Iminophosphorane Ligand as Potential Anticancer Agents.","Organometallics","2012","31","16","5772","5781","10.1021/om3006239","","","0.71073","MoKα","","0.0546","0.0376","","","0.0968","0.1049","","","","","","1.079","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078970","10.0815","0.0001","12.1604","0.0001","19.4771","0.0002","83.6939","0.0004","87.4709","0.0004","78.233","0.0004","2322.89","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H52 B11 O2 P2 Rh S -","- C45 H52 B11 O2 P2 Rh S -","- C90 H104 B22 O4 P4 Rh2 S2 -","2","1","","Pawley, Rebekah J.; Huertos, Miguel A.; Lloyd-Jones, Guy C.; Weller, Andrew S.; Willis, Michael C.","Intermolecular Alkyne Hydroacylation. Mechanistic Insight from the Isolation of the Vinyl Intermediate That Precedes Reductive Elimination","Organometallics","2012","31","15","5650","","10.1021/om300647n","","","0.71073","MoKα","","0.0358","0.0294","","","0.069","0.072","","","","","","1.047","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078971","39.9424","0.0002","15.1952","0.0001","26.721","0.0002","90","","130.985","0.0004","90","","12242.5","0.16","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C119 H122 B22 F12 O7 P4 Rh2 S2 -","- C119 H122 B22 F12 O7 P4 Rh2 S2 -","- C476 H488 B88 F48 O28 P16 Rh8 S8 -","4","0.5","","Pawley, Rebekah J.; Huertos, Miguel A.; Lloyd-Jones, Guy C.; Weller, Andrew S.; Willis, Michael C.","Intermolecular Alkyne Hydroacylation. Mechanistic Insight from the Isolation of the Vinyl Intermediate That Precedes Reductive Elimination","Organometallics","2012","31","15","5650","","10.1021/om300647n","","","0.71073","MoKα","","0.073","0.0392","","","0.0917","0.1045","","","","","","1.021","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078972","14.313","0.0002","15.7419","0.0002","16.9697","0.00029","104.206","0.0007","113.972","0.0006","105.794","0.0007","3073.92","0.09","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H56 B12 Cl4 F6 O2 P2 Rh S -","- C56 H56 B12 Cl4 F6 O2 P2 Rh S -","- C112 H112 B24 Cl8 F12 O4 P4 Rh2 S2 -","2","1","","Pawley, Rebekah J.; Huertos, Miguel A.; Lloyd-Jones, Guy C.; Weller, Andrew S.; Willis, Michael C.","Intermolecular Alkyne Hydroacylation. Mechanistic Insight from the Isolation of the Vinyl Intermediate That Precedes Reductive Elimination","Organometallics","2012","31","15","5650","","10.1021/om300647n","","","0.71073","MoKα","","0.061","0.0446","","","0.1066","0.1163","","","","","","1.033","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078973","8.9977","0.0003","10.3307","0.0003","10.6084","0.0003","91.332","0.001","110.575","0.001","98.511","0.001","909.99","0.05","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H30 Cl N O Os P2 -","- C13 H30 Cl N O Os P2 -","- C26 H60 Cl2 N2 O2 Os2 P4 -","2","1","","Spasyuk, Denis; Gusev, Dmitry G.","Acceptorless Dehydrogenative Coupling of Ethanol and Hydrogenation of Esters and Imines","Organometallics","2012","31","15","5239","","10.1021/om300670r","","","1.54178","CuKα","","0.0312","0.031","","","0.0805","0.0806","","","","","","1.164","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078974","10.5195","0.0003","13.2513","0.0003","16.3644","0.0004","68.972","0.001","88.622","0.001","67.031","0.001","1942.49","0.09","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl2 N2 P2 Ru -","- C38 H36 Cl2 N2 P2 Ru -","- C76 H72 Cl4 N4 P4 Ru2 -","2","1","","Spasyuk, Denis; Gusev, Dmitry G.","Acceptorless Dehydrogenative Coupling of Ethanol and Hydrogenation of Esters and Imines","Organometallics","2012","31","15","5239","","10.1021/om300670r","","","1.54178","CuKα","","0.0299","0.0297","","","0.0765","0.0767","","","","","","0.975","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078975","10.2766","0.0003","17.9182","0.0005","20.3739","0.0005","90","","90","","90","","3751.61","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H58 Cl N6 Nb -","- C33 H58 Cl N6 Nb -","- C132 H232 Cl4 N24 Nb4 -","4","1","","Perera, T. Hiran; Lord, Richard L.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Metallapyrimidines and Metallapyrimidiniums from Oxidative Addition of Pyrazolate N‒N Bonds to Niobium(III), Niobium(IV), and Tantalum(IV) Metal Centers and Assessment of Their Aromatic Character","Organometallics","2012","31","17","5971","","10.1021/om300490w","","","0.71073","MoKα","","0.0281","0.0261","","","0.0598","0.0606","","","","","","1.047","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078976","10.2318","0.0003","17.9282","0.0005","20.2874","0.0006","90","","90","","90","","3721.48","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H58 Cl N6 Ta -","- C33 H58 Cl N6 Ta -","- C132 H232 Cl4 N24 Ta4 -","4","1","","Perera, T. Hiran; Lord, Richard L.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Metallapyrimidines and Metallapyrimidiniums from Oxidative Addition of Pyrazolate N‒N Bonds to Niobium(III), Niobium(IV), and Tantalum(IV) Metal Centers and Assessment of Their Aromatic Character","Organometallics","2012","31","17","5971","","10.1021/om300490w","","","0.71073","MoKα","","0.0209","0.0192","","","0.0398","0.0402","","","","","","0.989","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078977","9.5471","0.0009","17.2627","0.0015","21.1366","0.0019","90","","90","","90","","3483.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H57 N6 Nb -","- C33 H57 N6 Nb -","- C132 H228 N24 Nb4 -","4","1","","Perera, T. Hiran; Lord, Richard L.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Metallapyrimidines and Metallapyrimidiniums from Oxidative Addition of Pyrazolate N‒N Bonds to Niobium(III), Niobium(IV), and Tantalum(IV) Metal Centers and Assessment of Their Aromatic Character","Organometallics","2012","31","17","5971","","10.1021/om300490w","","","0.71073","MoKα","","0.0449","0.0417","","","0.1096","0.112","","","","","","1.119","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078978","12.43","0.004","14.089","0.004","13.738","0.004","90","","110.342","0.006","90","","2255.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H58 N10 Ti2 -","- C44 H58 N10 Ti2 -","- C88 H116 N20 Ti4 -","2","0.5","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.7107","MoKα","","0.118","0.0998","","","0.2485","0.259","","","","","","1.207","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078979","11.623","0.002","18.586","0.004","11.286","0.002","90","","93.94","0.03","90","","2432.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N4 O3 Ti -","- C28 H28 N4 O3 Ti -","- C112 H112 N16 O12 Ti4 -","4","1","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.0833","0.0512","","","0.1365","0.1568","","","","","","1.042","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078980","8.9558","0.0007","12.3665","0.001","12.5926","0.0016","111.759","0.006","103.185","0.006","106.276","0.004","1154","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H66 N10 Ti2 -","- C43 H66 N10 Ti2 -","- C43 H66 N10 Ti2 -","1","0.5","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.055","0.0477","","","0.1382","0.1439","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078981","11.929","0.005","15.792","0.008","10.267","0.005","90","","90","","90","","1934.1","1.6","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C16 H27 N5 O Ti -","- C16 H27 N5 O Ti -","- C64 H108 N20 O4 Ti4 -","4","1","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.1191","0.0825","","","0.1917","0.2196","","","","","","1.011","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078982","10.383","0.004","15.316","0.005","25.274","0.01","90","","90","","90","","4019","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H31 N5 O Ti -","- C16 H31 N5 O Ti -","- C128 H248 N40 O8 Ti8 -","8","1","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.1555","0.0548","","","0.0906","0.1182","","","","","","0.974","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078983","11.9343","0.0011","5.9347","0.0005","20.295","0.0018","90","","97.229","0.007","90","","1426","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N4 O4 -","- C30 H34 N4 O4 -","- C60 H68 N8 O8 -","2","0.5","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.0595","0.0481","","","0.1268","0.137","","","","","","1.066","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078984","19.8643","0.0006","9.0349","0.0002","24.8875","0.0007","90","","106.793","0.002","90","","4276.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N8 O3 Ti2 -","- C41 H60 N8 O3 Ti2 -","- C164 H240 N32 O12 Ti8 -","4","1","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.1023","0.0529","","","0.1179","0.1404","","","","","","0.993","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078985","14.578","0.002","9.9726","0.0017","19.017","0.003","90","","103.389","0.003","90","","2689.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H44 N3 O0 Sc Si2 -","- C22 H44 N3 Sc Si2 -","- C88 H176 N12 Sc4 Si8 -","4","1","","Wang, Lingfang; Liu, Dongtao; Cui, Dongmei","NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene","Organometallics","2012","31","17","6014","","10.1021/om300049h","","","0.71073","MoKα","","0.1363","0.076","","","0.1708","0.1982","","","","","","1.052","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078986","17.363","0.0017","10.3511","0.001","18.2635","0.0018","90","","109.731","0.001","90","","3089.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 N3 O Si2 Y -","- C26 H52 N3 O Si2 Y -","- C104 H208 N12 O4 Si8 Y4 -","4","1","","Wang, Lingfang; Liu, Dongtao; Cui, Dongmei","NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene","Organometallics","2012","31","17","6014","","10.1021/om300049h","","","0.71073","MoKα","","0.052","0.0352","","","0.0763","0.0817","","","","","","1.023","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078987","17.339","0.001","10.3224","0.0006","18.2415","0.001","90","","109.855","0.001","90","","3070.8","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 Cl0 Li0 Lu N3 O Si2 -","- C26 H52 Lu N3 O Si2 -","- C104 H208 Lu4 N12 O4 Si8 -","4","1","","Wang, Lingfang; Liu, Dongtao; Cui, Dongmei","NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene","Organometallics","2012","31","17","6014","","10.1021/om300049h","","","0.71073","MoKα","","0.0339","0.025","","","0.056","0.0592","","","","","","1.042","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078988","10.7012","0.0005","19.0875","0.0008","28.4803","0.0012","90","","90","","90","","5817.4","0.4","11","2","11","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H48 N3 O0 Sc Si2 -","- C24 H48 N3 Sc Si2 -","- C192 H384 N24 Sc8 Si16 -","8","1","","Wang, Lingfang; Liu, Dongtao; Cui, Dongmei","NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene","Organometallics","2012","31","17","6014","","10.1021/om300049h","","","0.71073","MoKα","","0.059","0.0487","","","0.1345","0.1433","","","","","","1.037","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078989","11.7302","0.0005","15.902","0.0007","17.1849","0.0007","89.594","0.001","73.108","0.001","70.807","0.001","2882.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H96 N6 O0 Si4 Y2 -","- C48 H96 N6 Si4 Y2 -","- C96 H192 N12 Si8 Y4 -","2","1","","Wang, Lingfang; Liu, Dongtao; Cui, Dongmei","NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene","Organometallics","2012","31","17","6014","","10.1021/om300049h","","","0.71073","MoKα","","0.0717","0.0416","","","0.0954","0.1073","","","","","","1.017","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078990","26.4378","0.0011","8.7798","0.0004","26.8273","0.001","90","","93.831","0.002","90","","6213.2","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 F N9 O12 Si8 -","- C40 H68 F N9 O12 Si8 -","- C160 H272 F4 N36 O48 Si32 -","4","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Horton, Peter N.; Stephenson, Richard A.; Hursthouse, Michael B.","Facile Synthesis of Novel Functionalized Silsesquioxane Nanostructures Containing an Encapsulated Fluoride Anion","Organometallics","2012","31","17","6032","","10.1021/om300277g","","","0.71073","MoKα","","0.0673","0.0541","","","0.135","0.1436","","","","","","1.067","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078991","12.4124","0.0004","14.7103","0.0005","35.5306","0.0013","90","","95.666","0.002","90","","6455.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H84 F N9 O12 Si8 -","- C48 H84 F N9 O12 Si8 -","- C192 H336 F4 N36 O48 Si32 -","4","1","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Horton, Peter N.; Stephenson, Richard A.; Hursthouse, Michael B.","Facile Synthesis of Novel Functionalized Silsesquioxane Nanostructures Containing an Encapsulated Fluoride Anion","Organometallics","2012","31","17","6032","","10.1021/om300277g","","","0.71073","MoKα","","0.1378","0.0716","","","0.1801","0.2157","","","","","","1.083","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078992","10.2479","0.0003","12.5527","0.0004","15.9489","0.0005","105.062","0.002","106.841","0.002","101.499","0.002","1810.55","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H92 F N O28 Si8 -","- C56 H92 F N O28 Si8 -","- C56 H92 F N O28 Si8 -","1","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Horton, Peter N.; Stephenson, Richard A.; Hursthouse, Michael B.","Facile Synthesis of Novel Functionalized Silsesquioxane Nanostructures Containing an Encapsulated Fluoride Anion","Organometallics","2012","31","17","6032","","10.1021/om300277g","","","0.71073","MoKα","","0.0706","0.0455","","","0.1089","0.1206","","","","","","1.046","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078993","8.6557","0.0002","11.7528","0.0002","12.4208","0.0002","106.041","0.001","98.006","0.001","96.123","0.001","1188.45","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H52 F N9 O12 Si8 -","- C32 H52 F N9 O12 Si8 -","- C32 H52 F N9 O12 Si8 -","1","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Horton, Peter N.; Stephenson, Richard A.; Hursthouse, Michael B.","Facile Synthesis of Novel Functionalized Silsesquioxane Nanostructures Containing an Encapsulated Fluoride Anion","Organometallics","2012","31","17","6032","","10.1021/om300277g","","","0.71073","MoKα","","0.0388","0.0342","","","0.1053","0.1083","","","","","","1.16","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078994","20.5416","0.0002","14.5201","0.0002","25.3577","0.0003","90","","111.36","0.001","90","","7043.82","0.15","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H92 F N O28 Si8 -","- C48 H92 F N O28 Si8 -","- C192 H368 F4 N4 O112 Si32 -","4","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Horton, Peter N.; Stephenson, Richard A.; Hursthouse, Michael B.","Facile Synthesis of Novel Functionalized Silsesquioxane Nanostructures Containing an Encapsulated Fluoride Anion","Organometallics","2012","31","17","6032","","10.1021/om300277g","","","0.71073","MoKα","","0.0487","0.0433","","","0.1117","0.1153","","","","","","1.036","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078995","21.262","0.004","9.4135","0.0017","17.715","0.003","90","","92.592","0.003","90","","3542","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Cl N2 Pd -","- C39 H47 Cl N2 Pd -","- C156 H188 Cl4 N8 Pd4 -","4","1","","Guo, Lihua; Gao, Haiyang; Guan, Qirui; Hu, Haibin; Deng, Juean; Liu, Jun; Liu, Fengshou; Wu, Qing","Substituent Effects of the Backbone in α-Diimine Palladium Catalysts on Homo- and Copolymerization of Ethylene with Methyl Acrylate","Organometallics","2012","31","17","6054","","10.1021/om300380b","","","0.71073","MoKα","","0.1154","0.0587","","","0.1393","0.1673","","","","","","1.038","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078996","10.0707","0.001","40.419","0.004","18.8682","0.0015","90","","111.797","0.004","90","","7131.2","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Cl F2 N2 Pd -","- C39 H45 Cl F2 N2 Pd -","- C312 H360 Cl8 F16 N16 Pd8 -","8","2","","Guo, Lihua; Gao, Haiyang; Guan, Qirui; Hu, Haibin; Deng, Juean; Liu, Jun; Liu, Fengshou; Wu, Qing","Substituent Effects of the Backbone in α-Diimine Palladium Catalysts on Homo- and Copolymerization of Ethylene with Methyl Acrylate","Organometallics","2012","31","17","6054","","10.1021/om300380b","","","0.71073","MoKα","","0.0902","0.0684","","","0.1777","0.1914","","","","","","1.226","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078997","28.532","0.003","14.8505","0.0015","35.569","0.004","90","","106.844","0.002","90","","14425","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H69 B F24 N2 O2 Pd -","- C71 H68 B F24 N2 O2 Pd -","- C568 H544 B8 F192 N16 O16 Pd8 -","8","2","","Guo, Lihua; Gao, Haiyang; Guan, Qirui; Hu, Haibin; Deng, Juean; Liu, Jun; Liu, Fengshou; Wu, Qing","Substituent Effects of the Backbone in α-Diimine Palladium Catalysts on Homo- and Copolymerization of Ethylene with Methyl Acrylate","Organometallics","2012","31","17","6054","","10.1021/om300380b","","","0.71073","MoKα","","0.212","0.1149","","","0.3035","0.3725","","","","","","1.099","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078998","16.721","","17.548","","24.927","","74.65","","87.55","","76.33","","6851.84","","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C127 H88 B2 F48 N4 O Pd -","- C127.3 H87.92 B2 F48 N4 O0.53 Pd -","- C254.6 H175.84 B4 F96 N8 O1.06 Pd2 -","2","1","","Guo, Lihua; Gao, Haiyang; Guan, Qirui; Hu, Haibin; Deng, Juean; Liu, Jun; Liu, Fengshou; Wu, Qing","Substituent Effects of the Backbone in α-Diimine Palladium Catalysts on Homo- and Copolymerization of Ethylene with Methyl Acrylate","Organometallics","2012","31","17","6054","","10.1021/om300380b","","","0.71073","MoKα","","0.1726","0.0984","","","0.2778","0.3422","","","","","","1.1","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078999","10.944","0.003","14.793","0.005","16.344","0.003","96.38","0.02","100.07","0.02","110.888","0.019","2390.4","1.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","2-[dihydroxy(mesityl)silyl]-N,N-diisopropylnaphthalene-1-carboxamide with water solvate","","","- C26 H34 N O3.5 Si -","- C26 H34 N O3.5 Si -","- C104 H136 N4 O14 Si4 -","4","2","","Wilson, Sean O.; Tran, Ngon T.; Franz, Annaliese K.","NMR and X-ray Studies of Hydrogen Bonding for Amide-Containing Silanediols","Organometallics","2012","31","19","6715","6718","10.1021/om300736n","","","0.71073","MoKα","","0.1105","0.05","","","0.1005","0.124","","","","","","0.988","","","","has coordinates","210317","2020-10-21","18:00:00",""
"4079000","11.4203","0.0003","15.1266","0.0004","18.8794","0.0005","78.036","0.001","76.063","0.001","87.36","0.001","3096.63","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H96 N4 Ni O4 P4 -","- C64 H96 N4 Ni O4 P4 -","- C128 H192 N8 Ni2 O8 P8 -","2","1","","Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A. S.; Appel, Aaron M.; Shaw, Wendy","Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base","Organometallics","2012","31","19","6719","6731","10.1021/om300409y","","","0.71073","MoKα","","0.0967","0.0507","","","0.1173","0.1371","","","","","","1.017","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4079001","11.0372","0.0005","20.2569","0.0009","25.6373","0.0012","90","","96.63","0.002","90","","5693.6","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N2 Ni0.5 P2 -","- C30 H44 N2 Ni0.5 P2 -","- C240 H352 N16 Ni4 P16 -","8","1","","Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A. S.; Appel, Aaron M.; Shaw, Wendy","Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base","Organometallics","2012","31","19","6719","6731","10.1021/om300409y","","","0.71073","MoKα","","0.0524","0.0364","","","0.0887","0.0955","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4079002","11.5233","0.0006","24.1947","0.0012","27.2777","0.0014","64.052","0.003","77.942","0.003","87.822","0.003","6675.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H96 N4 Ni O8 P4 -","- C68 H96 N4 Ni O8 P4 -","- C272 H384 N16 Ni4 O32 P16 -","4","2","","Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A. S.; Appel, Aaron M.; Shaw, Wendy","Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base","Organometallics","2012","31","19","6719","6731","10.1021/om300409y","","","0.71073","MoKα","","0.1555","0.0622","","","0.1117","0.1348","","","","","","1.035","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4079003","22.1067","0.0014","15.5747","0.0011","22.938","0.0017","90","","109.805","0.003","90","","7430.5","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 B2 F8 N6 Ni O9 P4 -","- C72 H102 B2 F8 N6 Ni O9 P4 -","- C288 H408 B8 F32 N24 Ni4 O36 P16 -","4","1","","Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A. S.; Appel, Aaron M.; Shaw, Wendy","Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base","Organometallics","2012","31","19","6719","6731","10.1021/om300409y","","","0.71073","MoKα","","0.1192","0.0819","","","0.2073","0.2273","","","","","","1.096","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4079004","17.7299","0.0008","26.2321","0.0011","30.9424","0.0014","90","","90","","90","","14391.1","1.1","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H101.1 B2 F8 N6 Ni O4 P4 -","- C68 H101.1 B2 F8 N6 Ni O4 P4 -","- C544 H808.8 B16 F64 N48 Ni8 O32 P32 -","8","1","","Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A. S.; Appel, Aaron M.; Shaw, Wendy","Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base","Organometallics","2012","31","19","6719","6731","10.1021/om300409y","","","0.71073","MoKα","","0.1574","0.0579","","","0.0893","0.1149","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4079005","11.698","0.004","14.929","0.004","16.192","0.005","90.757","0.005","95.818","0.005","90.723","0.005","2812.7","1.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H46 Fe -","- C34 H46 Fe -","- C136 H184 Fe4 -","4","2","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0981","0.0602","","","0.1271","0.1416","","","","","","1.069","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079006","17.211","0.006","9.857","0.003","15.771","0.005","90","","116.604","0.003","90","","2392.3","1.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Fe -","- C30 H38 Fe -","- C120 H152 Fe4 -","4","1","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0745","0.0569","","","0.1567","0.1733","","","","","","1.072","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079007","36.409","0.004","9.3825","0.001","36.305","0.004","90","","90.521","0.001","90","","12402","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 O2 Zr -","- C36 H46 O2 Zr -","- C576 H736 O32 Zr16 -","16","2","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0625","0.0396","","","0.0772","0.0851","","","","","","1.031","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079008","9.292","0.003","14.641","0.005","21.513","0.007","87.065","0.004","82.945","0.004","82.855","0.004","2880.1","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H46 Zr -","- C34 H46 Zr -","- C136 H184 Zr4 -","4","2","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0652","0.0408","","","0.0909","0.1013","","","","","","1.01","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079009","16.7686","0.0013","9.3871","0.0007","40.076","0.003","90","","90","","90","","6308.3","0.8","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C38 H54 Zr -","- C38 H54 Zr -","- C304 H432 Zr8 -","8","2","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0427","0.0344","","","0.0882","0.0916","","","","","","1.015","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079010","22.83","0.02","9.546","0.009","31.22","0.03","90","","96.965","0.01","90","","6754","11","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H104 O4 Zr2 -","- C77 H104 O4 Zr2 -","- C308 H416 O16 Zr8 -","4","0.5","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0798","0.0493","","","0.1155","0.1295","","","","","","1.041","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079011","9.2216","0.0012","9.368","0.0012","18.482","0.002","96.771","0.001","98.066","0.001","109.544","0.001","1466.3","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H48 Zr -","- C34 H48 Zr -","- C68 H96 Zr2 -","2","1","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0554","0.0395","","","0.0765","0.0817","","","","","","1.035","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079012","9.6616","0.0007","19.111","0.0015","16.1409","0.0013","90","","99.61","0.001","90","","2938.5","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Zr -","- C34 H48 Zr -","- C136 H192 Zr4 -","4","1","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0314","0.0254","","","0.0621","0.0658","","","","","","1.06","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079013","11.6295","0.0011","12.8313","0.0007","16.4147","0.0012","75.22","0.007","88.127","0.008","79.826","0.007","2330.9","0.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H140 Cl2 Li2 N6 O4 Si8 Y2 -","- C66 H140 Cl2 Li2 N6 O4 Si8 Y2 -","- C66 H140 Cl2 Li2 N6 O4 Si8 Y2 -","1","0.5","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.0875","0.0618","","","0.1326","0.1449","","","","","","1.068","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079014","16.669","0.003","12.1728","0.0019","25.639","0.004","90","","99.955","0.003","90","","5124","1.5","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H156 Cl2 Er2 Li2 N6 O4 Si8 -","- C80 H140 Cl2 Er2 Li2 N6 O4 Si8 -","- C160 H280 Cl4 Er4 Li4 N12 O8 Si16 -","2","0.5","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.0695","0.0589","","","0.1308","0.1368","","","","","","1.095","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079015","16.779","0.003","12.1559","0.0019","25.691","0.004","90","","99.65","0.003","90","","5165.9","1.5","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H156 Cl2 Eu2 Li2 N6 O4 Si8 -","- C80 H140 Cl2 Eu2 Li2 N6 O4 Si8 -","- C160 H280 Cl4 Eu4 Li4 N12 O8 Si16 -","2","0.5","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.1148","0.0859","","","0.1418","0.1539","","","","","","1.168","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079016","16.8041","0.001","12.1432","0.0007","25.6713","0.0016","90","","99.651","0.002","90","","5164.2","0.5","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H156 Cl2 Li2 N6 O4 Si8 Sm2 -","- C80 H140 Cl2 Li2 N6 O4 Si8 Sm2 -","- C160 H280 Cl4 Li4 N12 O8 Si16 Sm4 -","2","0.5","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.0568","0.0481","","","0.1065","0.1129","","","","","","1.135","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079017","14.9649","0.0015","28.896","0.003","11.8985","0.0012","90","","110.514","0.002","90","","4818.9","0.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H78 N3 O3 Si2 Y -","- C44 H78 N3 O3 Si2 Y -","- C176 H312 N12 O12 Si8 Y4 -","4","1","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.1069","0.0766","","","0.1536","0.1694","","","","","","1.098","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079018","15.1517","0.0018","28.82","0.004","11.9193","0.0015","90","","110.833","0.004","90","","4864.5","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H78 N3 O3 Si2 Sm -","- C44 H78 N3 O3 Si2 Sm -","- C176 H312 N12 O12 Si8 Sm4 -","4","1","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.0837","0.0686","","","0.1312","0.1383","","","","","","1.164","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079019","12.045","0.0019","14.6328","0.0015","15.158","0.002","67.361","0.015","79.056","0.017","68.957","0.014","2297.2","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H152 N6 O2 Si8 Y2 -","- C70 H124 N6 O2 Si8 Y2 -","- C70 H124 N6 O2 Si8 Y2 -","1","0.5","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.1074","0.078","","","0.2028","0.2201","","","","","","0.998","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079020","15.2427","0.0012","28.788","0.0019","11.9569","0.001","90","","111.109","0.002","90","","4894.7","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H78 N3 Nd O3 Si2 -","- C44 H77.8 N3 Nd O3 Si2 -","- C176 H311.2 N12 Nd4 O12 Si8 -","4","1","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.0842","0.0641","","","0.1217","0.1305","","","","","","1.154","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079021","15.2615","0.0011","14.3842","0.0011","21.9011","0.0015","90","","95.566","0.002","90","","4785.2","0.6","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 N3 O3 Si2 Yb -","- C42 H74 N3 O3 Si2 Yb -","- C168 H296 N12 O12 Si8 Yb4 -","4","1","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.0568","0.0504","","","0.1049","0.1082","","","","","","1.14","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079022","15.3128","0.0014","14.4084","0.0012","21.982","0.002","90","","95.892","0.003","90","","4824.3","0.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 N3 O3 Si2 Y -","- C42 H74 N3 O3 Si2 Y -","- C168 H296 N12 O12 Si8 Y4 -","4","1","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.1246","0.0918","","","0.2081","0.2298","","","","","","1.099","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079023","22.5843","0.001","15.7763","0.0007","27.2441","0.0013","90","","90","","90","","9707","0.8","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H78 N3 Nd O3.5 Si2 -","- C44 H74 N3 Nd O3.5 Si2 -","- C352 H592 N24 Nd8 O28 Si16 -","8","1","","Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi","Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides","Organometallics","2012","31","9","3499","","10.1021/om201164t","","","0.71075","MoKα","","0.1035","0.0901","","","0.1844","0.1916","","","","","","1.258","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079024","12.412","0.005","15.159","0.005","18.483","0.005","90","0","93.559","0.005","90","0","3471","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 N2 Ti3 -","- C42 H52 N2 Ti3 -","- C168 H208 N8 Ti12 -","4","1","","Semproni, Scott P.; Milsmann, Carsten; Chirik, Paul J.","Side-on Dinitrogen Complexes of Titanocenes with Disubstituted Cyclopentadienyl Ligands: Synthesis, Structure, and Spectroscopic Characterization","Organometallics","2012","31","9","3672","","10.1021/om300156z","","","0.71073","MoKα","","0.0706","0.044","","","0.0955","0.1069","","","","","","1.033","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079025","13.3103","0.0004","12.5477","0.0004","16.1143","0.0005","90","","100.141","0.001","90","","2649.26","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Ti2 -","- C28 H36 Ti2 -","- C112 H144 Ti8 -","4","1","","Semproni, Scott P.; Milsmann, Carsten; Chirik, Paul J.","Side-on Dinitrogen Complexes of Titanocenes with Disubstituted Cyclopentadienyl Ligands: Synthesis, Structure, and Spectroscopic Characterization","Organometallics","2012","31","9","3672","","10.1021/om300156z","","","1.54178","CuKα","","0.0281","0.0274","","","0.0719","0.0724","","","","","","1.036","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079026","20.7481","0.0004","9.7643","0.0002","16.3729","0.0003","90","","92.491","0.001","90","","3313.86","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 I0.04 N1.96 Ti2 -","- C36 H52 I0.0428 N1.9572 Ti2 -","- C144 H208 I0.1712 N7.8288 Ti8 -","4","0.5","","Semproni, Scott P.; Milsmann, Carsten; Chirik, Paul J.","Side-on Dinitrogen Complexes of Titanocenes with Disubstituted Cyclopentadienyl Ligands: Synthesis, Structure, and Spectroscopic Characterization","Organometallics","2012","31","9","3672","","10.1021/om300156z","","","1.54178","CuKα","","0.0474","0.047","","","0.1199","0.1201","","","","","","1.142","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079027","12.247","0.005","16.134","0.005","21.079","0.005","100.708","0.005","91.44","0.005","92.571","0.005","4086","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H68 N2 Ti2 -","- C44 H68 N2 Ti2 -","- C176 H272 N8 Ti8 -","4","2","","Semproni, Scott P.; Milsmann, Carsten; Chirik, Paul J.","Side-on Dinitrogen Complexes of Titanocenes with Disubstituted Cyclopentadienyl Ligands: Synthesis, Structure, and Spectroscopic Characterization","Organometallics","2012","31","9","3672","","10.1021/om300156z","","","1.54184","CuKα","","0.105","0.0712","","","0.1803","0.2029","","","","","","1.034","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079028","11.073","0.005","31.309","0.005","12.392","0.005","90","","96.143","0.005","90","","4271","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 B O Ti -","- C49.996 H61.996 B O Ti -","- C199.984 H247.984 B4 O4 Ti4 -","4","1","","Semproni, Scott P.; Milsmann, Carsten; Chirik, Paul J.","Side-on Dinitrogen Complexes of Titanocenes with Disubstituted Cyclopentadienyl Ligands: Synthesis, Structure, and Spectroscopic Characterization","Organometallics","2012","31","9","3672","","10.1021/om300156z","","","1.54184","CuKα","","0.0509","0.0467","","","0.113","0.1166","","","","","","0.972","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079029","15.8985","0.0006","16.4376","0.0007","27.0644","0.0011","90","","90","","90","","7072.8","0.5","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H60 Al2 Nd O4 P Si -","- C27 H60 Al2 Nd O4 P Si -","- C216 H480 Al16 Nd8 O32 P8 Si8 -","8","1","","Roux, Erwan Le; Liang, Yucang; Törnroos, Karl W.; Nief, François; Anwander, Reiner","Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15","Organometallics","2012","31","18","6526","","10.1021/om300168s","","","0.71073","MoKα","","0.0456","0.0327","","","0.0797","0.086","","","","","","1.075","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079030","14.36","0.002","14.585","0.002","9.2908","0.0014","90","","90","","90","","1945.9","0.5","103","2","103","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C28 H66 Al2 O8 Si2 -","- C28 H66 Al2 O8 Si2 -","- C56 H132 Al4 O16 Si4 -","2","0.5","","Roux, Erwan Le; Liang, Yucang; Törnroos, Karl W.; Nief, François; Anwander, Reiner","Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15","Organometallics","2012","31","18","6526","","10.1021/om300168s","","","0.71073","MoKα","","0.0576","0.0571","","","0.1802","0.1813","","","","","","1.062","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079031","10.874","0.002","15.942","0.003","19.558","0.004","90","","98.592","0.007","90","","3352.4","1.1","173","","173","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H38 Au F3 N2 O -","- C32 H42 Au F3 N2 O2 -","- C128 H168 Au4 F12 N8 O8 -","4","2","","Zhang, Cheng-Pan; Vicic, David A.","Oxygen-Bound Trifluoromethoxide Complexes of Copper and Gold","Organometallics","2012","31","22","7812","","10.1021/om3002747","","","0.71075","MoKα","","","0.0319","","","","0.0726","","","","","","1.06","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079032","23.948","0.006","8.3943","0.0019","20.504","0.004","90","","90","","90","","4121.9","1.6","273","","273","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H12 Cu F3 N4 O -","- C9 H12 Cu F3 N4 O -","- C108 H144 Cu12 F36 N48 O12 -","12","3","","Zhang, Cheng-Pan; Vicic, David A.","Oxygen-Bound Trifluoromethoxide Complexes of Copper and Gold","Organometallics","2012","31","22","7812","","10.1021/om3002747","","","0.71075","MoKα","","","0.1291","","","","0.3851","","","","","","1","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079033","10.783","0.003","15.794","0.004","19.398","0.005","90","","98.494","0.007","90","","3267.4","1.5","173","","173","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C32 H46 Cu F3 N2 O2 -","- C32 H42 Cu F3 N2 O2 -","- C128 H168 Cu4 F12 N8 O8 -","4","2","","Zhang, Cheng-Pan; Vicic, David A.","Oxygen-Bound Trifluoromethoxide Complexes of Copper and Gold","Organometallics","2012","31","22","7812","","10.1021/om3002747","","","0.71075","MoKα","","","0.0686","","","","0.1145","","","","","","0.969","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079034","14.233","0.002","14.233","0.002","40.08","0.04","90","","90","","120","","7032","7","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C30 H48 Cl7 Cu4 N3 -","- C30 H48 Cl7 Cu4 N3 -","- C180 H288 Cl42 Cu24 N18 -","6","0.333333","","Ye, Qiong; Liu, Ming-Liang; Chen, Zi-Qi; Sun, Su-Wen; Xiong, Ren-Gen","Solvothermal Syntheses and Physical Properties of Noncentrosymmetric Olefin‒Copper(I) Coordination Compounds","Organometallics","2012","31","22","7862","","10.1021/om300343j","","","0.71073","MoKα","","0.0776","0.0707","","","0.1965","0.2032","","","","","","1.121","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079035","12.125","0.0009","12.125","0.0009","29.3362","0.0017","90","","90","","120","","3735.1","0.4","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C30 H50 Br11 Cu8 N3 O -","- C30 H49.98 Br11 Cu8 N3 O -","- C90 H149.94 Br33 Cu24 N9 O3 -","3","0.333333","","Ye, Qiong; Liu, Ming-Liang; Chen, Zi-Qi; Sun, Su-Wen; Xiong, Ren-Gen","Solvothermal Syntheses and Physical Properties of Noncentrosymmetric Olefin‒Copper(I) Coordination Compounds","Organometallics","2012","31","22","7862","","10.1021/om300343j","","","0.71073","MoKα","","0.0618","0.0506","","","0.1172","0.1243","","","","","","1.012","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079036","13.5364","0.0006","8.2974","0.0004","22.0239","0.001","90","","105.239","0.002","90","","2386.68","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 K P2 S2 -","- C25 H21 K P2 S2 -","- C100 H84 K4 P8 S8 -","4","1","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.1087","0.098","","","0.3022","0.3154","","","","","","1.194","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079037","15.848","0.0012","11.6578","0.0009","17.3963","0.0011","90","","90","","90","","3214","0.4","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H39 K O3 P2 S2 -","- C31 H39 K O3 P2 S2 -","- C124 H156 K4 O12 P8 S8 -","4","1","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.0732","0.0636","","","0.1678","0.1903","","","","","","1.145","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079038","12.373","0.0006","9.0666","0.0004","16.4623","0.0007","90","","101.19","0.002","90","","1811.65","0.14","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 P2 S2 -","- C19 H16 P2 S2 -","- C76 H64 P8 S8 -","4","1","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.0473","0.0357","","","0.0826","0.0935","","","","","","1.039","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079039","11.2215","0.0002","16.6052","0.0004","23.0812","0.0005","90","","90","","90","","4300.84","0.16","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H32 Cl4 P4 S4 Sn2 -","- C40 H32 Cl4 P4 S4 Sn2 -","- C160 H128 Cl16 P16 S16 Sn8 -","4","0.5","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.0293","0.0221","","","0.0478","0.052","","","","","","1.033","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079040","18.1509","0.0006","14.6816","0.0005","20.8826","0.0007","90","","111.156","0.001","90","","5189.8","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 Al Cl9 P4 S4 Sn2 -","- C41 H34 Al Cl9 P4 S4 Sn2 -","- C164 H136 Al4 Cl36 P16 S16 Sn8 -","4","1","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.0707","0.0488","","","0.1298","0.1545","","","","","","1.133","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079041","8.603","0.0004","16.4257","0.0007","16.4348","0.0007","90","","96.09","0.002","90","","2309.3","0.18","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Al Cl3 P2 S2 Sn -","- C19 H14 Al Cl3 P2 S2 Sn -","- C76 H56 Al4 Cl12 P8 S8 Sn4 -","4","1","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.061","0.0402","","","0.0993","0.1192","","","","","","1.093","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079042","18.1789","0.0005","13.8515","0.0004","16.517","0.0005","90","","104.333","0.002","90","","4029.6","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.06 H34.12 Al2 Cl0.12 P4 S4 -","- C40.06 H34.12 Al2 Cl0.12 P4 S4 -","- C160.24 H136.48 Al8 Cl0.48 P16 S16 -","4","1","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.0631","0.038","","","0.0855","0.099","","","","","","1.031","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079043","10.8082","0.0008","11.1196","0.001","15.3516","0.0011","68.59","0.003","73.761","0.002","61.346","0.002","1494.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H51 Co Ru2 -","- C31 H51 Co Ru2 -","- C62 H102 Co2 Ru4 -","2","1","","Nagaoka, Masahiro; Takao, Toshiro; Suzuki, Hiroharu","Synthesis of a Heterometallic Trinuclear Cluster Containing Ruthenium and Cobalt and Its Reactivity with Internal Alkynes","Organometallics","2012","31","18","6547","","10.1021/om300371g","","","0.71069","MoKα","","0.0916","0.047","","","0.0865","0.1146","","","","","","1.089","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079044","17.3373","0.0006","17.9205","0.0006","11.4374","0.0005","90","","102.892","0.0013","90","","3463.9","0.2","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C39 H55 Co Ru2 -","- C39 H38 Co Ru2 -","- C156 H152 Co4 Ru8 -","4","0.5","","Nagaoka, Masahiro; Takao, Toshiro; Suzuki, Hiroharu","Synthesis of a Heterometallic Trinuclear Cluster Containing Ruthenium and Cobalt and Its Reactivity with Internal Alkynes","Organometallics","2012","31","18","6547","","10.1021/om300371g","","","0.71069","MoKα","","0.0393","0.0346","","","0.0942","0.0984","","","","","","0.911","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079045","9.218","0.001","22.874","0.001","16.629","0.001","90","","108.854","0.004","90","","3318.1","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H47 O P Pd Si4 -","- C27 H47 O P Pd Si4 -","- C108 H188 O4 P4 Pd4 Si16 -","4","1","","Ortiz, Daniel; Blug, Matthias; Le Goff, Xavier-Frédéric; Le Floch, Pascal; Mézailles, Nicolas; Maître, Philippe","Mechanistic Investigation of the Generation of a Palladium(0) Catalyst from a Palladium(II) Allyl Complex: A Combined Experimental and DFT Study","Organometallics","2012","31","17","5975","","10.1021/om300375b","","","0.71069","MoKα","","0.049","0.0308","","","0.0726","0.0777","","","","","","1.031","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079046","10.283","0.0002","10.872","0.0003","39.605","0.0009","90","","94.876","0.0011","90","","4411.69","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 O4 P2 Pd2 -","- C52 H42 O4 P2 Pd2 -","- C208 H168 O16 P8 Pd8 -","4","1","","Ibáñez, Susana; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Úbeda, M Angeles","Dinuclear Palladium(II) and -(III) Compounds with O,O-Chelating Ligands. Room-Temperature Direct 2-Phenylation of 1-Methylindole","Organometallics","2012","31","23","8098","","10.1021/om300400k","","","0.71073","MoKα","","0.0817","0.0457","","","0.1058","0.1264","","","","","","1.056","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079047","10.552","0.002","12.401","0.003","18.432","0.004","86.65","0.03","84.42","0.03","70.6","0.03","2263.3","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 O4 P2 Pd2 -","- C54 H46 O4 P2 Pd2 -","- C108 H92 O8 P4 Pd4 -","2","1","","Ibáñez, Susana; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Úbeda, M Angeles","Dinuclear Palladium(II) and -(III) Compounds with O,O-Chelating Ligands. Room-Temperature Direct 2-Phenylation of 1-Methylindole","Organometallics","2012","31","23","8098","","10.1021/om300400k","","","0.71073","MoKα","","0.0895","0.0503","","","0.1182","0.1467","","","","","","1.045","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079048","16.82","0.0006","26.049","0.0007","10.766","0.0004","90","","91.002","0.002","90","","4716.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 O4 P2 Pd2 -","- C52 H56 O4 P2 Pd2 -","- C208 H224 O16 P8 Pd8 -","4","0.5","","Ibáñez, Susana; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Úbeda, M Angeles","Dinuclear Palladium(II) and -(III) Compounds with O,O-Chelating Ligands. Room-Temperature Direct 2-Phenylation of 1-Methylindole","Organometallics","2012","31","23","8098","","10.1021/om300400k","","","0.71073","MoKα","","0.0707","0.0446","","","0.1157","0.1355","","","","","","1.043","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079049","12.7","0.0002","13.667","0.0002","13.797","0.0003","87.295","0.0012","81.337","0.0011","70.828","0.0012","2236.12","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H30 F12 O4 P2 Pd2 -","- C46 H30 F12 O4 P2 Pd2 -","- C92 H60 F24 O8 P4 Pd4 -","2","1","","Ibáñez, Susana; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Úbeda, M Angeles","Dinuclear Palladium(II) and -(III) Compounds with O,O-Chelating Ligands. Room-Temperature Direct 2-Phenylation of 1-Methylindole","Organometallics","2012","31","23","8098","","10.1021/om300400k","","","0.71073","MoKα","","0.0624","0.0427","","","0.0987","0.1139","","","","","","1.064","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079050","10.814","0.0003","12.904","0.0003","19.609","0.0005","86.872","0.0018","89.193","0.0017","77.198","0.0014","2664.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H66 O4 P2 Pd2 -","- C58 H66 O4 P2 Pd2 -","- C116 H132 O8 P4 Pd4 -","2","1","","Ibáñez, Susana; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Úbeda, M Angeles","Dinuclear Palladium(II) and -(III) Compounds with O,O-Chelating Ligands. Room-Temperature Direct 2-Phenylation of 1-Methylindole","Organometallics","2012","31","23","8098","","10.1021/om300400k","","","0.71073","MoKα","","0.1099","0.0547","","","0.0902","0.1108","","","","","","1.084","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079051","11.91","0.0003","12.939","0.0003","18.614","0.0004","107.128","0.0015","101.874","0.0014","95.847","0.0015","2641.81","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Cl6 F12 O4 P2 Pd2 -","- C48 H34 Cl6 F12 O4 P2 Pd2 -","- C96 H68 Cl12 F24 O8 P4 Pd4 -","2","1","","Ibáñez, Susana; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Úbeda, M Angeles","Dinuclear Palladium(II) and -(III) Compounds with O,O-Chelating Ligands. Room-Temperature Direct 2-Phenylation of 1-Methylindole","Organometallics","2012","31","23","8098","","10.1021/om300400k","","","0.71073","MoKα","","0.1027","0.0581","","","0.1473","0.1711","","","","","","1.028","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079052","14.0202","0.0007","12.8943","0.0007","20.3938","0.001","90","","102.288","0.001","90","","3602.3","0.3","296","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl2 N2 O Si2 U -","- C28 H46 Cl2 N2 O Si2 U -","- C112 H184 Cl8 N8 O4 Si8 U4 -","4","1","","Hayes, Cassandra E.; Platel, Rachel H.; Schafer, Laurel L.; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Catalysts for the Intramolecular Hydroamination of Aminoalkenes","Organometallics","2012","31","19","6732","","10.1021/om300410h","","","0.71073","MoKα","","0.0759","0.0524","","0.0828","0.0789","0.0783","","","","","","2.3686","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079053","8.0499","0.001","16.871","0.002","26.702","0.003","90","","90","","90","","3626.4","0.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl2 N2 O3 Th -","- C32 H52 Cl2 N2 O3 Th -","- C128 H208 Cl8 N8 O12 Th4 -","4","1","","Hayes, Cassandra E.; Platel, Rachel H.; Schafer, Laurel L.; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Catalysts for the Intramolecular Hydroamination of Aminoalkenes","Organometallics","2012","31","19","6732","","10.1021/om300410h","","","0.71073","MoKα","","0.0305","0.0244","","0.0245","0.0235","0.0233","","","","","","0.9903","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079054","11.5075","0.0004","20.0888","0.0006","35.4127","0.0012","90","","90","","90","","8186.4","0.5","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H64 N2 O Si2 Th -","- C36 H64 N2 O Si2 Th -","- C288 H512 N16 O8 Si16 Th8 -","8","1","","Hayes, Cassandra E.; Platel, Rachel H.; Schafer, Laurel L.; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Catalysts for the Intramolecular Hydroamination of Aminoalkenes","Organometallics","2012","31","19","6732","","10.1021/om300410h","","","0.71073","MoKα","","0.0899","0.045","","0.05","0.0424","0.0441","","","","","","1.5847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079055","14.9723","0.0004","14.9723","0.0004","15.2555","0.0009","90","","90","","90","","3419.8","0.2","100","1","100","1","","","","","","","see text","4","P -4 21 c","P -4 2n","114","","","","- C19 H26 Br Ta -","- C19 H26 Br Ta -","- C152 H208 Br8 Ta8 -","8","1","","Otten, Edwin; Meetsma, Auke; Hessen, Bart","ansa-Cyclopentadienyl-Arene Tantalum Complexes: Structure and Reactivity of Neutral, Cationic, and Dicationic Derivatives","Organometallics","2012","31","17","6071","","10.1021/om300421m","","","0.71073","MoKα","","0.0385","0.0307","","","0.0662","0.0693","","","","","","1.042","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079056","20.626","0.003","14.384","0.002","24.493","0.004","90","","104.323","0.002","90","","7040.8","1.8","100","1","100","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H43 B2 F40 O3 Ta -","- C76 H43 B2 F40 O3 Ta -","- C304 H172 B8 F160 O12 Ta4 -","4","1","","Otten, Edwin; Meetsma, Auke; Hessen, Bart","ansa-Cyclopentadienyl-Arene Tantalum Complexes: Structure and Reactivity of Neutral, Cationic, and Dicationic Derivatives","Organometallics","2012","31","17","6071","","10.1021/om300421m","","","0.71073","MoKα","","0.083","0.0471","","","0.0904","0.1029","","","","","","0.963","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079057","10.801","0.005","14.004","0.007","26.883","0.014","90","","97.749","0.008","90","","4029","3","100","1","100","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H28 B F20 Ta -","- C45 H28 B F20 Ta -","- C180 H112 B4 F80 Ta4 -","4","1","","Otten, Edwin; Meetsma, Auke; Hessen, Bart","ansa-Cyclopentadienyl-Arene Tantalum Complexes: Structure and Reactivity of Neutral, Cationic, and Dicationic Derivatives","Organometallics","2012","31","17","6071","","10.1021/om300421m","","","0.71073","MoKα","","0.1254","0.0678","","","0.1465","0.1732","","","","","","0.924","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079058","12.5652","0.0007","8.0607","0.0004","16.2176","0.0009","90","","112.459","0.001","90","","1518","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H24 B9 Rh -","- C9 H24 B9 Rh -","- C36 H96 B36 Rh4 -","4","1","","Galkin, Konstantin I.; Lubimov, Sergey E.; Godovikov, Ivan A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Sergeeva, Elena A.; Davankov, Vadim A.; Chizhevsky, Igor T.","New Acyclic (π-Allyl)-closo-rhodacarboranes with an Agostic CH3···Rh Bonding Interaction That Operate as Unmodified Rhodium-Based Catalysts for Alkene Hydroformylation","Organometallics","2012","31","17","6080","","10.1021/om300432j","","","0.71073","MoKα","","0.0396","0.0325","","","0.0749","0.0785","","","","","","1.009","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079059","7.4499","0.0003","15.1491","0.0007","13.8738","0.0007","90","","90.677","0.001","90","","1565.68","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 B9 Rh -","- C10 H26 B9 Rh -","- C40 H104 B36 Rh4 -","4","1","","Galkin, Konstantin I.; Lubimov, Sergey E.; Godovikov, Ivan A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Sergeeva, Elena A.; Davankov, Vadim A.; Chizhevsky, Igor T.","New Acyclic (π-Allyl)-closo-rhodacarboranes with an Agostic CH3···Rh Bonding Interaction That Operate as Unmodified Rhodium-Based Catalysts for Alkene Hydroformylation","Organometallics","2012","31","17","6080","","10.1021/om300432j","","","0.71073","MoKα","","0.0315","0.0249","","","0.0555","0.058","","","","","","1.035","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079060","9.842","0.005","13.605","0.006","16.718","0.008","90","","94.849","0.016","90","","2230.5","1.8","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 Cl N3 O2 Ta -","- C16 H37 Cl N3 O2 Ta -","- C64 H148 Cl4 N12 O8 Ta4 -","4","1","","Park, Bo Keun; Kim, Hyo-Suk; Shin, Su Jung; Min, Jae Ki; Lee, Kang Mun; Do, Youngkyu; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis and Characterization of Novel Volatile Imido-Aminoalkoxide Tantalum Compounds","Organometallics","2012","31","23","8109","","10.1021/om300436p","","","0.71073","MoKα","","0.1188","0.0715","","","0.1782","0.2133","","","","","","1.019","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079061","20.2731","0.0012","14.3171","0.0007","25.7675","0.0014","90","","107.057","0.004","90","","7150.1","0.7","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C63 H100 B11 Cl2 N O4 P2 Pd Sn -","- C63 H100 B11 Cl2 N O4 P2 Pd Sn -","- C252 H400 B44 Cl8 N4 O16 P8 Pd4 Sn4 -","4","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Wütz, Tobias; Wesemann, Lars","Germa- and Stanna-closo-dodecaborate in Reaction with [PdCl2(Xantphos)]: P‒C and B‒H Bond Activation","Organometallics","2012","31","20","7044","","10.1021/om300438x","","","0.71073","MoKα","","0.1269","0.09","","","0.1803","0.1967","","","","","","1.176","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079062","10.8523","0.0012","23.421","0.005","21.169","0.003","90","","90","","90","","5380.6","1.5","173","2","173","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H66 B11 Cl Ge N2 O P2 Pd -","- C49 H66 B11 Cl Ge N2 O P2 Pd -","- C196 H264 B44 Cl4 Ge4 N8 O4 P8 Pd4 -","4","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Wütz, Tobias; Wesemann, Lars","Germa- and Stanna-closo-dodecaborate in Reaction with [PdCl2(Xantphos)]: P‒C and B‒H Bond Activation","Organometallics","2012","31","20","7044","","10.1021/om300438x","","","0.71073","MoKα","","0.0534","0.0429","","","0.1084","0.1256","","","","","","1.239","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079063","12.4283","0.0009","12.2637","0.0006","14.8561","0.001","90","","108.995","0.005","90","","2141","0.2","173","2","173","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C41 H46 B11 Ge N O P2 Pd -","- C41 H46 B11 Ge N O P2 Pd -","- C82 H92 B22 Ge2 N2 O2 P4 Pd2 -","2","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Wütz, Tobias; Wesemann, Lars","Germa- and Stanna-closo-dodecaborate in Reaction with [PdCl2(Xantphos)]: P‒C and B‒H Bond Activation","Organometallics","2012","31","20","7044","","10.1021/om300438x","","","0.71073","MoKα","","0.0463","0.0385","","","0.0677","0.0707","","","","","","1.137","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079064","11.5634","0.0004","19.6159","0.0006","22.5928","0.0007","90","","92.467","0.002","90","","5119.9","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H61 B11 O4 P2 Pd Sn -","- C48 H61 B11 O4 P2 Pd Sn -","- C192 H244 B44 O16 P8 Pd4 Sn4 -","4","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Wütz, Tobias; Wesemann, Lars","Germa- and Stanna-closo-dodecaborate in Reaction with [PdCl2(Xantphos)]: P‒C and B‒H Bond Activation","Organometallics","2012","31","20","7044","","10.1021/om300438x","","","0.71073","MoKα","","0.0381","0.0297","","","0.0683","0.0729","","","","","","1.208","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079065","15.2954","0.0006","23.7892","0.001","21.3124","0.0009","90","","91.11","0.002","90","","7753.4","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C79.5 H86.5 B11 N2.5 O4.5 P4 Pd2 Sn -","- C79.5 H86.5 B11 N2.5 O4.5 P4 Pd2 Sn -","- C318 H346 B44 N10 O18 P16 Pd8 Sn4 -","4","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Wütz, Tobias; Wesemann, Lars","Germa- and Stanna-closo-dodecaborate in Reaction with [PdCl2(Xantphos)]: P‒C and B‒H Bond Activation","Organometallics","2012","31","20","7044","","10.1021/om300438x","","","0.71073","MoKα","","0.0597","0.0337","","","0.0745","0.0842","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079066","7.8042","0.0002","10.3403","0.0003","22.6773","0.0006","90","","90","","90","","1830.01","0.09","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Fe N O Si -","- C20 H23 Fe N O Si -","- C80 H92 Fe4 N4 O4 Si4 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0235","0.022","","","0.0608","0.0619","","","","","","1.039","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079067","9.2195","0.0003","8.7469","0.0003","9.9413","0.0004","90","","92.336","0.001","90","","801.02","0.05","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Br Fe O3 -","- C16 H19 Br Fe O3 -","- C32 H38 Br2 Fe2 O6 -","2","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.044","0.0421","","","0.1127","0.1156","","","","","","1.022","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079068","23.4373","0.0005","23.4373","0.0005","7.65","0.0001","90","","90","","120","","3639.21","0.12","223","2","223","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H28 Fe O3 Si2 -","- C19 H28 Fe O3 Si2 -","- C114 H168 Fe6 O18 Si12 -","6","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0653","0.0581","","","0.1526","0.1585","","","","","","1.063","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079069","12.2088","0.0002","19.7299","0.0004","8.1404","0.0001","90","","90","","90","","1960.85","0.06","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H26 Fe O2 Si2 -","- C17 H26 Fe O2 Si2 -","- C68 H104 Fe4 O8 Si8 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0494","0.0423","","","0.0884","0.0947","","","","","","1.079","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079070","8.3549","0.0002","10.0008","0.0002","28.5722","0.0007","90","","90","","90","","2387.37","0.09","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Fe N O Si2 -","- C23 H31 Fe N O Si2 -","- C92 H124 Fe4 N4 O4 Si8 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0426","0.0391","","","0.0855","0.0882","","","","","","1.047","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079071","10.9331","0.0002","11.0599","0.0002","21.0231","0.0003","90","","90","","90","","2542.09","0.07","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F5 Fe N O Si2 -","- C23 H26 F5 Fe N O Si2 -","- C92 H104 F20 Fe4 N4 O4 Si8 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0411","0.0375","","","0.0834","0.0865","","","","","","1.085","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079072","7.4546","0.0003","15.3671","0.0006","10.8018","0.0004","90","","92.031","0.002","90","","1236.63","0.08","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 Fe N O Si2 -","- C23 H37 Fe N O Si2 -","- C46 H74 Fe2 N2 O2 Si4 -","2","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0663","0.0643","","","0.1658","0.1688","","","","","","1.074","","","","has coordinates","287926","2023-12-01","07:54:24",""
"4079073","12.2271","0.0003","17.1048","0.0004","29.5106","0.0007","90","","90","","90","","6171.9","0.3","223","2","223","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C50 H84 Cl4 Fe2 N2 O3 Si4 Zr -","- C50 H84 Cl4 Fe2 N2 O3 Si4 Zr -","- C200 H336 Cl16 Fe8 N8 O12 Si16 Zr4 -","4","0.5","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.1103","0.103","","","0.2409","0.2463","","","","","","1.121","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079074","9.9389","0.0002","14.2081","0.0002","15.4979","0.0003","85.335","0.001","72.429","0.001","74.18","0.001","2007.37","0.06","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H25 Br Fe O Si2 -","- C17 H25 Br Fe O Si2 -","- C68 H100 Br4 Fe4 O4 Si8 -","4","4","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0543","0.0496","","","0.1314","0.1381","","","","","","1.078","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079075","13.0779","0.0002","12.7776","0.0002","23.7983","0.0004","90","","97.604","0.001","90","","3941.82","0.11","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H54 Fe O4 Si3 -","- C38 H54 Fe O4 Si3 -","- C152 H216 Fe4 O16 Si12 -","4","2","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0769","0.064","","","0.1404","0.1534","","","","","","1.064","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079076","36.8117","0.0006","15.5129","0.0002","11.8778","0.0002","90","","90","","90","","6782.89","0.18","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C33 H44 Fe O2 Si3 -","- C33 H44 Fe O2 Si3 -","- C264 H352 Fe8 O16 Si24 -","8","2","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0803","0.0701","","","0.1616","0.1702","","","","","","1.116","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079077","10.0606","0.0002","12.4205","0.0002","19.4302","0.0004","90","","90","","90","","2427.95","0.08","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 Fe O3 Si2 -","- C21 H36 Fe O3 Si2 -","- C84 H144 Fe4 O12 Si8 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0668","0.0544","","","0.0985","0.1068","","","","","","1.12","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079078","27.793","0.0016","10.3539","0.0005","15.5649","0.0009","90","","91.783","0.002","90","","4476.9","0.4","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H39 N3 Ru2 -","- C19 H24 N3 Ru2 -","- C152 H192 N24 Ru16 -","8","1","","Namura, Kyo; Ohashi, Masato; Suzuki, Hiroharu","Synthesis and Structure of a Mixed-Ligand Dinuclear Ruthenium Trihydrido Complex Supported by Cn* and Cp* Ligands (Cn* = 1,4,7-Trimethyl-1,4,7-triazacyclononane, Cp* = η5-C5Me5): Enhancement of Reactivity toward CO2by Introduction of the Cn* Ligand","Organometallics","2012","31","17","5979","","10.1021/om3004674","","","0.71069","MoKα","","0.0698","0.059","","","0.1249","0.1296","","","","","","1.179","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079079","17.2728","0.0007","15.6204","0.0006","18.6939","0.0006","90","","106.659","0.0012","90","","4832.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H39 N3 O4 Ru2 -","- C21 H27 N3 O4 Ru2 -","- C168 H216 N24 O32 Ru16 -","8","2","","Namura, Kyo; Ohashi, Masato; Suzuki, Hiroharu","Synthesis and Structure of a Mixed-Ligand Dinuclear Ruthenium Trihydrido Complex Supported by Cn* and Cp* Ligands (Cn* = 1,4,7-Trimethyl-1,4,7-triazacyclononane, Cp* = η5-C5Me5): Enhancement of Reactivity toward CO2by Introduction of the Cn* Ligand","Organometallics","2012","31","17","5979","","10.1021/om3004674","","","0.71069","MoKα","","0.0867","0.0534","","","0.1324","0.1608","","","","","","1.073","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079080","9.2993","0.0003","16.3159","0.0006","18.3887","0.0006","90","","90","","90","","2790.05","0.16","110","","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Cl3 Ir N4 -","- C29 H31 Cl3 Ir N4 -","- C116 H124 Cl12 Ir4 N16 -","4","1","","Chianese, Anthony R.; Shaner, Sarah E.; Tendler, Jennifer A.; Pudalov, David M.; Shopov, Dimitar Y.; Kim, Daniel; Rogers, Scott L.; Mo, Allen","Iridium Complexes of Bulky CCC-Pincer N-Heterocyclic Carbene Ligands: Steric Control of Coordination Number and Catalytic Alkene Isomerization","Organometallics","2012","31","21","7359","","10.1021/om300468d","","x-ray","0.7107","MoKα","","0.0386","0.0333","","0.0683","0.0662","0.0683","","","","","","0.9949","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079081","14.0985","0.0002","15.259","0.0002","15.0008","0.0002","90","","97.3868","0.0015","90","","3200.32","0.08","110","","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cl Ir N4 -","- C40 H42 Cl Ir N4 -","- C160 H168 Cl4 Ir4 N16 -","4","1","","Chianese, Anthony R.; Shaner, Sarah E.; Tendler, Jennifer A.; Pudalov, David M.; Shopov, Dimitar Y.; Kim, Daniel; Rogers, Scott L.; Mo, Allen","Iridium Complexes of Bulky CCC-Pincer N-Heterocyclic Carbene Ligands: Steric Control of Coordination Number and Catalytic Alkene Isomerization","Organometallics","2012","31","21","7359","","10.1021/om300468d","","x-ray","0.7107","MoKα","","0.0357","0.0285","","0.0569","0.0547","0.0569","","","","","","1.0229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079082","14.9067","0.0002","19.6272","0.0002","16.3925","0.0002","90","","113.001","0.0018","90","","4414.76","0.11","110","","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 Cl3 Ir N5 -","- C47 H51 Cl3 Ir N5 -","- C188 H204 Cl12 Ir4 N20 -","4","1","","Chianese, Anthony R.; Shaner, Sarah E.; Tendler, Jennifer A.; Pudalov, David M.; Shopov, Dimitar Y.; Kim, Daniel; Rogers, Scott L.; Mo, Allen","Iridium Complexes of Bulky CCC-Pincer N-Heterocyclic Carbene Ligands: Steric Control of Coordination Number and Catalytic Alkene Isomerization","Organometallics","2012","31","21","7359","","10.1021/om300468d","","x-ray","0.7107","MoKα","","0.0499","0.0431","","0.0563","0.0555","0.0563","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079083","25.049","0.008","7.694","0.002","21.812","0.007","90","","95.872","0.005","90","","4182","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cl2 N2 O2 Ru -","- C18 H18 Cl2 N2 O2 Ru -","- C144 H144 Cl16 N16 O16 Ru8 -","8","1","","Aliende, Cristina; Pérez-Manrique, Mercedes; Jalón, Félix A.; Manzano, Blanca R.; Rodr\?íguez, Ana M.; Espino, Gustavo","Arene Ruthenium Complexes as Versatile Catalysts in Water in both Transfer Hydrogenation of Ketones and Oxidation of Alcohols. Selective Deuterium Labeling ofrac-1-Phenylethanol","Organometallics","2012","31","17","6106","","10.1021/om3004702","","","0.71073","MoKα","","0.031","0.0289","","","0.074","0.0752","","","","","","1.078","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079084","10.2994","0.0019","12.021","0.002","12.158","0.002","110.088","0.003","106.73","0.003","107.296","0.003","1215.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H27 Cl N2 O6 Ru S -","- C25 H27 Cl N2 O6 Ru S -","- C50 H54 Cl2 N4 O12 Ru2 S2 -","2","1","","Aliende, Cristina; Pérez-Manrique, Mercedes; Jalón, Félix A.; Manzano, Blanca R.; Rodr\?íguez, Ana M.; Espino, Gustavo","Arene Ruthenium Complexes as Versatile Catalysts in Water in both Transfer Hydrogenation of Ketones and Oxidation of Alcohols. Selective Deuterium Labeling ofrac-1-Phenylethanol","Organometallics","2012","31","17","6106","","10.1021/om3004702","","","0.71073","MoKα","","0.0246","0.024","","","0.064","0.0644","","","","","","0.982","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079085","8.694","0.0003","10.172","0.0004","13.913","0.0016","94.744","0.002","90.465","0.002","112.019","0.002","1135.73","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H26 B Cl F4 N2 O2 Ru -","- C22 H26 B Cl F4 N2 O2 Ru -","- C44 H52 B2 Cl2 F8 N4 O4 Ru2 -","2","1","","Aliende, Cristina; Pérez-Manrique, Mercedes; Jalón, Félix A.; Manzano, Blanca R.; Rodr\?íguez, Ana M.; Espino, Gustavo","Arene Ruthenium Complexes as Versatile Catalysts in Water in both Transfer Hydrogenation of Ketones and Oxidation of Alcohols. Selective Deuterium Labeling ofrac-1-Phenylethanol","Organometallics","2012","31","17","6106","","10.1021/om3004702","","","0.71073","MoKα","","0.0573","0.0373","","","0.0845","0.1","","","","","","0.787","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079086","8.4049","0.0017","10.63","0.002","14.887","0.003","102.336","0.003","90.605","0.003","109.219","0.003","1222.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H26 Cl F6 N2 O2 P Ru -","- C22 H26 Cl F6 N2 O2 P Ru -","- C44 H52 Cl2 F12 N4 O4 P2 Ru2 -","2","1","","Aliende, Cristina; Pérez-Manrique, Mercedes; Jalón, Félix A.; Manzano, Blanca R.; Rodr\?íguez, Ana M.; Espino, Gustavo","Arene Ruthenium Complexes as Versatile Catalysts in Water in both Transfer Hydrogenation of Ketones and Oxidation of Alcohols. Selective Deuterium Labeling ofrac-1-Phenylethanol","Organometallics","2012","31","17","6106","","10.1021/om3004702","","","0.71073","MoKα","","0.0483","0.0395","","","0.0931","0.0958","","","","","","1.068","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079087","11.661","0.007","15.563","0.009","15.802","0.009","90","","96.611","0.011","90","","2849","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Cl N2 O5 Ru S -","- C29 H33 Cl N2 O5 Ru S -","- C116 H132 Cl4 N8 O20 Ru4 S4 -","4","1","","Aliende, Cristina; Pérez-Manrique, Mercedes; Jalón, Félix A.; Manzano, Blanca R.; Rodr\?íguez, Ana M.; Espino, Gustavo","Arene Ruthenium Complexes as Versatile Catalysts in Water in both Transfer Hydrogenation of Ketones and Oxidation of Alcohols. Selective Deuterium Labeling ofrac-1-Phenylethanol","Organometallics","2012","31","17","6106","","10.1021/om3004702","","","0.71073","MoKα","","0.075","0.0544","","","0.0983","0.1068","","","","","","0.966","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079088","15.8532","0.0003","38.7135","0.0007","17.0068","0.0003","90","","108.404","0.001","90","","9903.8","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","Stambuli 1864","","","- C70 H122 Cl12 F24 Ir4 O2 P6 -","- C70 H122 Cl12 F24 Ir4 O2 P6 -","- C280 H488 Cl48 F96 Ir16 O8 P24 -","4","1","","Whittemore, Sean M.; Yoder, Ryan J.; Stambuli, James P.","Site-Selective Alkyl Dehydrogenation of a Coordinated Acylphosphine Ligand","Organometallics","2012","31","17","6124","","10.1021/om300471h","","x-ray","0.71073","MoKα","","0.0671","0.0396","","","0.0848","0.0949","","","","","","1.016","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079089","8.9344","0.0001","16.237","0.0002","19.636","0.0003","90","","90","","90","","2848.55","0.06","210","2","210","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","Stambuli 1841","","","- C24 H40 F3 Ir O4 P S -","- C24 H40 F3 Ir O4 P S -","- C96 H160 F12 Ir4 O16 P4 S4 -","4","1","","Whittemore, Sean M.; Yoder, Ryan J.; Stambuli, James P.","Site-Selective Alkyl Dehydrogenation of a Coordinated Acylphosphine Ligand","Organometallics","2012","31","17","6124","","10.1021/om300471h","","x-ray","0.71073","MoKα","","0.0453","0.0344","","","0.0706","0.0745","","","","","","1.036","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079090","9.82","0.001","9.82","0.001","32.53","0.008","90","","90","","120","","2716.7","0.8","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","02082","","","- C26 H58 Mn O2 Si4 -","- C26 H58 Mn O2 Si4 -","- C78 H174 Mn3 O6 Si12 -","3","0.5","","Engerer, Laura K.; Carlson, Christin N.; Hanusa, Timothy P.; Brennessel, William W.; Young, Victor G.","σ- vs π-Bonding in Manganese(II) Allyl Complexes","Organometallics","2012","31","17","6131","","10.1021/om300478v","","","0.71073","MoKα","","0.0362","0.033","","","0.0833","0.0855","","","","","","1.004","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079091","12.033","0.001","17.858","0.002","19.729","0.002","90","","90","","90","","4239.5","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","01367","","","- C30 H74 Mn N2 Si6 -","- C30 H58 Mn N2 Si6 -","- C120 H232 Mn4 N8 Si24 -","4","0.5","","Engerer, Laura K.; Carlson, Christin N.; Hanusa, Timothy P.; Brennessel, William W.; Young, Victor G.","σ- vs π-Bonding in Manganese(II) Allyl Complexes","Organometallics","2012","31","17","6131","","10.1021/om300478v","","","0.71073","MoKα","","0.0688","0.06","","","0.1628","0.1686","","","","","","0.99","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079092","12.046","0.002","10.253","0.002","44.85","0.007","90","","96.653","0.003","90","","5502","1.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","02132","","","- C36 H84 K2 Mn Si8 -","- C36 H84 K2 Mn Si8 -","- C144 H336 K8 Mn4 Si32 -","4","2","","Engerer, Laura K.; Carlson, Christin N.; Hanusa, Timothy P.; Brennessel, William W.; Young, Victor G.","σ- vs π-Bonding in Manganese(II) Allyl Complexes","Organometallics","2012","31","17","6131","","10.1021/om300478v","","","0.71073","MoKα","","0.0713","0.0641","","","0.1546","0.1595","","","","","","1.004","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079093","8.5628","0.0002","10.1417","0.0003","30.8228","0.0008","96.836","0.001","93.012","0.001","97.924","0.001","2625.81","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Complex_4","","","- C28.09 H24.18 B Cl0.19 N2 P Pt S2 -","- C28.0925 H24.185 B Cl0.185 N2 P Pt S2 -","- C112.37 H96.74 B4 Cl0.74 N8 P4 Pt4 S8 -","4","2","","Zech, Alexander; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Utilizing the 8-Methoxycyclooct-4-en-1-ide Unit As a Hydrogen Atom Acceptor en Route to “Metal‒Borane Pincers”","Organometallics","2012","31","19","6753","","10.1021/om300482m","","","0.71073","MoKα","","0.04","0.0322","","","0.0586","0.0606","","","","","","1.154","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079094","8.5363","0.0002","10.1753","0.0003","30.8938","0.0009","97.17","0.001","92.959","0.002","98.336","0.001","2627.65","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Complex_5","","","- C28.07 H24.07 B Cl0.14 N2 P Pd S2 -","- C28.0675 H24.0675 B Cl0.135 N2 P Pd S2 -","- C112.27 H96.27 B4 Cl0.54 N8 P4 Pd4 S8 -","4","2","","Zech, Alexander; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Utilizing the 8-Methoxycyclooct-4-en-1-ide Unit As a Hydrogen Atom Acceptor en Route to “Metal‒Borane Pincers”","Organometallics","2012","31","19","6753","","10.1021/om300482m","","","0.71073","MoKα","","0.0439","0.032","","","0.0684","0.0735","","","","","","1.029","","","","has coordinates","193999","2020-10-21","18:00:00",""
"4079095","9.5022","0.0003","10.2618","0.0004","17.2908","0.0006","97.541","0.002","102.928","0.002","109.843","0.002","1505.73","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex_6","","","- C33 H27 B N3 P Pd S3 -","- C33 H27 B N3 P Pd S3 -","- C66 H54 B2 N6 P2 Pd2 S6 -","2","1","","Zech, Alexander; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Utilizing the 8-Methoxycyclooct-4-en-1-ide Unit As a Hydrogen Atom Acceptor en Route to “Metal‒Borane Pincers”","Organometallics","2012","31","19","6753","","10.1021/om300482m","","","0.71073","MoKα","","0.0418","0.0364","","","0.0923","0.0956","","","","","","1.052","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079096","37.5195","0.0006","37.5195","0.0006","13.494","0.0002","90","","90","","120","","16450.7","0.4","160","1","160","1","","","","","","","","6","R 3 :H","R 3","146","","","","- C76 H60 N2 Ni O6 P2 -","- C68 H44 N2 Ni O4 P2 -","- C612 H396 N18 Ni9 O36 P18 -","9","1","","Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano","“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms","Organometallics","2012","31","17","6162","","10.1021/om300484z","","","0.71073","MoKα","","0.0387","0.0359","","","0.1045","0.1059","","","","","","1.065","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079097","11.73863","0.0001","11.70932","0.00011","58.7106","0.0005","90","","92.4392","0.0009","90","","8062.54","0.12","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64.67 H58 N5.33 Ni O2 P2 -","- C64.6667 H58 N5.33333 Ni O2 P2 -","- C388 H348 N32 Ni6 O12 P12 -","6","3","","Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano","“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms","Organometallics","2012","31","17","6162","","10.1021/om300484z","","","0.71073","MoKα","","0.0626","0.0593","","","0.1186","0.1199","","","","","","1.198","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079098","12.44923","0.00018","14.1316","0.0002","32.7302","0.0005","90","","90","","90","","5758.14","0.15","160","1","160","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C70 H46 Cl2 N2 Ni O4 P2 S2 -","- C70 H46 Cl2 N2 Ni O4 P2 S2 -","- C280 H184 Cl8 N8 Ni4 O16 P8 S8 -","4","1","","Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano","“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms","Organometallics","2012","31","17","6162","","10.1021/om300484z","","","0.71073","MoKα","","0.0462","0.037","","","0.0837","0.0888","","","","","","1.029","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079099","12.547","0.0003","22.4042","0.0005","25.2593","0.0006","90","","90","","90","","7100.5","0.3","160","1","160","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C87 H68 N2 Ni O5 P2 -","- C81 H62 N2 Ni O5 P2 -","- C324 H248 N8 Ni4 O20 P8 -","4","1","","Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano","“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms","Organometallics","2012","31","17","6162","","10.1021/om300484z","","","0.71073","MoKα","","0.072","0.0548","","","0.1407","0.1505","","","","","","1.046","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079100","18.15205","0.00009","18.15205","0.00009","13.4812","0.00009","90","","90","","90","","4442.01","0.04","173","","173","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C88 H120 Cu8 O16 -","- C56 H56 Cu8 O8 -","- C112 H112 Cu16 O16 -","2","0.25","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","1.54184","CuKα","","0.0646","0.0577","","","0.2155","0.224","","","","","","1.148","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079101","17.96778","0.00017","17.6095","0.00018","30.1255","0.0004","90","","90","","90","","9531.82","0.18","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H58 Cu4 Li2 O8 -","- C50 H58 Cu4 Li2 O8 -","- C400 H464 Cu32 Li16 O64 -","8","1","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","0.71073","MoKα","","0.1018","0.0563","","","0.1168","0.141","","","","","","1.131","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079102","8.18331","0.00006","8.431","0.00006","33.1182","0.0002","90","","90","","90","","2284.94","0.03","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Br Cu Mg O4 -","- C22 H30 Br Cu Mg O4 -","- C88 H120 Br4 Cu4 Mg4 O16 -","4","1","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","1.54184","CuKα","","0.0176","0.0163","","","0.043","0.0434","","","","","","1.101","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079103","7.9461","0.0015","8.5104","0.0007","33.255","0.003","90","","90","","90","","2248.9","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl Cu Mg O4 -","- C22 H30 Cl Cu Mg O4 -","- C88 H120 Cl4 Cu4 Mg4 O16 -","4","1","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","1.54184","CuKα","","0.0662","0.061","","","0.145","0.1467","","","","","","1.179","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079104","12.645","0.0004","12.665","0.0004","18.3271","0.0006","86.642","0.002","85.409","0.002","68.642","0.002","2723.35","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H75 N S Sn -","- C58 H75 N S Sn -","- C116 H150 N2 S2 Sn2 -","2","1","","Fatah, Abdoul; Ghereg, Dumitru; Escudié, Jean; Saffon, Nathalie; Ladeira, Sonia; Ranaivonjatovo, Henri","Versatile Reactivity of Stannene Tip2Sn═CR2with Unsaturated Compounds","Organometallics","2012","31","17","6148","","10.1021/om3004916","","","0.71073","MoKα","","0.0368","0.0299","","","0.0744","0.0793","","","","","","1.052","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079105","11.8989","0.0002","16.354","0.0003","17.1547","0.0003","84.596","0.001","69.897","0.001","75.728","0.001","3037.92","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.5 H91 N O Sn -","- C64.5 H91 N O Sn -","- C129 H182 N2 O2 Sn2 -","2","1","","Fatah, Abdoul; Ghereg, Dumitru; Escudié, Jean; Saffon, Nathalie; Ladeira, Sonia; Ranaivonjatovo, Henri","Versatile Reactivity of Stannene Tip2Sn═CR2with Unsaturated Compounds","Organometallics","2012","31","17","6148","","10.1021/om3004916","","","0.71073","MoKα","","0.0363","0.0298","","","0.0738","0.0779","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079106","13.6754","0.0003","14.4472","0.0004","16.8577","0.0004","90.391","0.002","107.263","0.002","107.259","0.002","3020.87","0.14","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H93 N O2 Sn -","- C66 H93 N O2 Sn -","- C132 H186 N2 O4 Sn2 -","2","1","","Fatah, Abdoul; Ghereg, Dumitru; Escudié, Jean; Saffon, Nathalie; Ladeira, Sonia; Ranaivonjatovo, Henri","Versatile Reactivity of Stannene Tip2Sn═CR2with Unsaturated Compounds","Organometallics","2012","31","17","6148","","10.1021/om3004916","","","0.71073","MoKα","","0.1153","0.0585","","","0.0973","0.116","","","","","","0.977","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079107","12.084","0.002","12.8","0.002","18.053","0.005","92.266","0.009","106.636","0.008","101.778","0.005","2604.8","0.9","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H75 Cl2 N Sn -","- C54 H75 Cl2 N Sn -","- C108 H150 Cl4 N2 Sn2 -","2","1","","Fatah, Abdoul; Ghereg, Dumitru; Escudié, Jean; Saffon, Nathalie; Ladeira, Sonia; Ranaivonjatovo, Henri","Versatile Reactivity of Stannene Tip2Sn═CR2with Unsaturated Compounds","Organometallics","2012","31","17","6148","","10.1021/om3004916","","x-ray","0.71073","MoKα","","0.0396","0.0312","","","0.0702","0.0745","","","","","","1.037","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079108","13.521","0.006","21.92","0.009","7.978","0.003","90","","103.597","0.007","90","","2298.3","1.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H30 Cl N2 O Rh -","- C26 H30 Cl N2 O Rh -","- C104 H120 Cl4 N8 O4 Rh4 -","4","1","","Peñafiel, Itziar; Pastor, Isidro M.; Yus, Miguel; Esteruelas, Miguel A.; Oliván, Montserrat","Preparation, Hydrogen Bonds, and Catalytic Activity in Metal-Promoted Addition of Arylboronic Acids to Enones of a Rhodium Complex Containing an NHC Ligand with an Alcohol Function","Organometallics","2012","31","17","6154","","10.1021/om300498e","","","0.71073","MoKα","","0.1045","0.0564","","","0.093","0.1037","","","","","","0.856","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079109","9.4324","0.0001","19.9781","0.0003","21.2265","0.0003","90","","98.476","0.001","90","","3956.26","0.09","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 Cl Co N O9 P3 Ru -","- C34 H55 Cl Co N O9 P3 Ru -","- C136 H220 Cl4 Co4 N4 O36 P12 Ru4 -","4","1","","Ip, Ho-Fai; So, Yat-Ming; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium-Mediated Double C‒H Activation of Toluene with 1-Azidoadamantane","Organometallics","2012","31","19","7020","","10.1021/om300499x","","","1.54178","CuKα","","0.0448","0.0395","","","0.1009","0.1028","","","","","","1.006","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079110","13.9067","0.0002","21.2398","0.0003","12.3711","0.0002","90","","90","","90","","3654.12","0.09","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H41 Cl4 Co N2 O11 P3 Ru -","- C24 H41 Cl4 Co N2 O11 P3 Ru -","- C96 H164 Cl16 Co4 N8 O44 P12 Ru4 -","4","1","","Ip, Ho-Fai; So, Yat-Ming; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium-Mediated Double C‒H Activation of Toluene with 1-Azidoadamantane","Organometallics","2012","31","19","7020","","10.1021/om300499x","","","1.54178","CuKα","","0.0436","0.0371","","","0.078","0.0794","","","","","","1.024","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079111","8.6834","0.0002","8.9379","0.0002","37.5356","0.0009","90","","90","","90","","2913.19","0.12","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 Ca I O4 -","- C27 H47 Ca I O4 -","- C108 H188 Ca4 I4 O16 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.0742","0.0421","","","0.0695","0.0765","","","","","","0.98","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079112","8.7118","0.0007","8.9636","0.0007","37.91","0.003","90","","90","","90","","2960.4","0.4","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Ca Cl I O4 -","- C26 H44 Ca Cl I O4 -","- C104 H176 Ca4 Cl4 I4 O16 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.1339","0.0518","","","0.0956","0.1257","","","","","","1.012","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079113","8.8432","0.0005","8.9677","0.0005","37.2212","0.0019","90","","90","","90","","2951.8","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Br Ca I O4 -","- C26 H44 Br Ca I O4 -","- C104 H176 Br4 Ca4 I4 O16 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.077","0.0643","","","0.1603","0.1657","","","","","","1.107","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079114","8.7798","0.0002","10.3531","0.0003","34.4556","0.0008","98.448","0.001","91.311","0.001","97.491","0.001","3068.7","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.7 H43.8 Ca I2 O4 -","- C25.7 H43.8 Ca I2 O4 -","- C102.8 H175.2 Ca4 I8 O16 -","4","2","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.0536","0.0455","","","0.0941","0.0988","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079115","9.1602","0.0002","37.6073","0.0009","8.8171","0.0002","90","","90","","90","","3037.41","0.12","183","2","183","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H47 Ca I O5 -","- C27 H47 Ca I O5 -","- C108 H188 Ca4 I4 O20 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.084","0.04","","","0.0618","0.0723","","","","","","0.928","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079116","8.9143","0.0002","9.6609","0.0003","21.5944","0.0007","101.289","0.001","97.47","0.002","93.212","0.002","1801.89","0.09","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H57 Ca I O5 -","- C35 H57 Ca I O5 -","- C70 H114 Ca2 I2 O10 -","2","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.0665","0.0621","","","0.173","0.1769","","","","","","1.15","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079117","8.3611","0.0003","10.146","0.0005","17.387","0.0008","91.145","0.002","92.475","0.003","102.95","0.003","1435.45","0.11","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H47 Br Li2 O4 -","- C27 H47 Br Li2 O4 -","- C54 H94 Br2 Li4 O8 -","2","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.0346","0.03","","","0.0645","0.0677","","","","","","1.117","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079118","7.4522","0.0007","19.0831","0.0017","19.9461","0.0011","90","","94.64","0.005","90","","2827.3","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Li2 O4 -","- C29 H42 Li2 O4 -","- C116 H168 Li8 O16 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.2471","0.0734","","","0.1192","0.1693","","","","","","0.947","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079119","11.1447","0.0003","12.5054","0.0003","13.563","0.0003","83.638","0.001","66.806","0.001","63.994","0.001","1557.17","0.07","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H50 Li2 O4 -","- C32 H50 Li2 O4 -","- C64 H100 Li4 O8 -","2","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.0543","0.046","","","0.1","0.1069","","","","","","1.083","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079120","14.1603","0.0005","10.7021","0.0003","34.5829","0.0013","90","","90","","90","","5240.9","0.3","115","","115","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H29 Fe3 N -","- C35 H29 Fe3 N -","- C280 H232 Fe24 N8 -","8","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Schaarschmidt, Dieter; Hahn, Torsten; Liebing, Simon; Kortus, Jens; Lang, Heinrich","Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations","Organometallics","2012","31","19","6761","","10.1021/om300511v","","","0.71073","MoKα","","0.082","0.0489","","","0.1174","0.1249","","","","","","0.949","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079121","11.3264","0.0015","10.9998","0.0015","12.2185","0.0016","90","","112.51","0.002","90","","1406.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cr O3 -","- C18 H12 Cr O3 -","- C72 H48 Cr4 O12 -","4","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0415","0.0358","","","0.0926","0.0959","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079122","8.3815","0.0004","10.1729","0.0004","52.705","0.002","90","","90","","90","","4493.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 O3 Re -","- C18 H11 O3 Re -","- C216 H132 O36 Re12 -","12","3","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0487","0.0474","","","0.095","0.0955","","","","","","1.283","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079123","6.0013","0.0004","19.5708","0.0012","15.5061","0.0009","90","","98.909","0.001","90","","1799.22","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cr O3 -","- C23 H22 Cr O3 -","- C92 H88 Cr4 O12 -","4","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0409","0.0357","","","0.0934","0.0964","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079124","15.186","0.003","8.2628","0.0015","16.016","0.003","90","","111.483","0.003","90","","1870.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 O3 Re -","- C23 H17 O3 Re -","- C92 H68 O12 Re4 -","4","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0346","0.0287","","","0.0645","0.0667","","","","","","1.048","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079125","22.3421","0.0019","10.7303","0.0009","18.7235","0.0015","90","","116.783","0.002","90","","4007.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cr O3 -","- C26 H16 Cr O3 -","- C208 H128 Cr8 O24 -","8","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0508","0.0431","","","0.1124","0.1184","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079126","13.6588","0.0014","14.8955","0.0015","11.3118","0.0011","90","","113.353","0.002","90","","2112.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Cr O3 -","- C29 H18 Cr O3 -","- C116 H72 Cr4 O12 -","4","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0634","0.0566","","","0.1461","0.151","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079127","7.7534","0.0007","9.9783","0.0009","12.5568","0.0012","85.996","0.002","85.794","0.002","78.929","0.002","949.28","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H15 O3 Re -","- C26 H15 O3 Re -","- C52 H30 O6 Re2 -","2","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0348","0.0294","","","0.0644","0.0664","","","","","","1.048","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079128","8.0644","0.0009","24.041","0.003","10.9718","0.0012","90","","109.801","0.003","90","","2001.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 O3 Re -","- C26 H15 O3 Re -","- C104 H60 O12 Re4 -","4","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0381","0.0311","","","0.0703","0.0728","","","","","","1.067","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079129","12.9308","0.0017","11.2668","0.0015","12.9929","0.0017","90","","98.19","0.004","90","","1873.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cr O3 -","- C26 H16 Cr O3 -","- C104 H64 Cr4 O12 -","4","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0638","0.054","","","0.1213","0.1252","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079130","15.649","0.002","10.3162","0.0015","6.9097","0.001","90","","90","","90","","1115.5","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","0.5","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0425","0.0386","","","0.1005","0.1021","","","","","","1.196","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079131","10.2673","0.0008","11.5569","0.0009","13.1236","0.001","88.489","0.001","77.448","0.001","70.282","0.001","1429.01","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.025 H28.855 Cl0.585 O3 Re -","- C37.024 H28.854 Cl0.582 O3 Re -","- C74.048 H57.708 Cl1.164 O6 Re2 -","2","1","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0274","0.0255","","","0.0634","0.0641","","","","","","1.085","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079132","15.9391","0.0001","11.7641","0.0001","26.1975","0.0002","90","","95.27","0.001","90","","4891.51","0.06","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C114 H100 As2 F12 Fe2 P4 Ru2 -","- C114 H100 As2 F12 Fe2 P4 Ru2 -","- C228 H200 As4 F24 Fe4 P8 Ru4 -","2","1","","Bruce, Michael I.; Costuas, Karine; Gendron, Frédéric; Halet, Jean-François; Jevric, Martyn; Skelton, Brian W.","Oxidative Dimerization of Aryldiynyl‒Ruthenium Complexes","Organometallics","2012","31","18","6555","","10.1021/om3005146","","","1.54178","CuKα","","0.0436","0.0338","","","0.0716","0.0746","","","","","","0.929","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079133","11.7963","0.0004","16.7726","0.0009","20.4211","0.0007","94.253","0.004","105.569","0.003","97.765","0.004","3830.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H74 F12 P6 Ru2 -","- C88 H74 F12 P6 Ru2 -","- C176 H148 F24 P12 Ru4 -","2","1","","Bruce, Michael I.; Costuas, Karine; Gendron, Frédéric; Halet, Jean-François; Jevric, Martyn; Skelton, Brian W.","Oxidative Dimerization of Aryldiynyl‒Ruthenium Complexes","Organometallics","2012","31","18","6555","","10.1021/om3005146","","","1.54178","CuKα","","0.1393","0.0799","","","0.2069","0.233","","","","","","0.959","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079134","9.2957","0.0005","16.0961","0.0006","17.2103","0.0009","106.581","0.005","105.399","0.004","104.772","0.004","2221.7","0.2","150","0.2","150","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H72 F3 Fe N4 O4 S Si2 -","- C35 H72 F3 Fe N4 O4 S Si2 -","- C70 H144 F6 Fe2 N8 O8 S2 Si4 -","2","1","","Cao, Zhi; Forrest, William P.; Gao, Yang; Fanwick, Phillip E.; Ren, Tong","trans-[Fe(cyclam)(C2R)2]+: A New Family of Iron(III) Bis-Alkynyl Compounds","Organometallics","2012","31","17","6199","","10.1021/om300515r","","","1.54184","CU-Kα","","0.053","0.051","","","0.14","0.143","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4079135","9.5167","0.0006","11.8798","0.0006","12.265","0.0009","90","","90.108","0.005","90","","1386.64","0.15","150","0.2","150","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 F3 Fe N4 O3 S -","- C27 H34 F3 Fe N4 O3 S -","- C54 H68 F6 Fe2 N8 O6 S2 -","2","0.5","","Cao, Zhi; Forrest, William P.; Gao, Yang; Fanwick, Phillip E.; Ren, Tong","trans-[Fe(cyclam)(C2R)2]+: A New Family of Iron(III) Bis-Alkynyl Compounds","Organometallics","2012","31","17","6199","","10.1021/om300515r","","","1.54184","CU-Kα","","0.079","0.076","","","0.216","0.22","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4079136","12.09","0.0011","11.6199","0.0011","24.842","0.003","90","","90","","90","","3489.9","0.6","150","0.2","150","0.2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H42 F3 Fe N4 O3 S Si2 -","- C25 H42 F3 Fe N4 O3 S Si2 -","- C100 H168 F12 Fe4 N16 O12 S4 Si8 -","4","0.5","","Cao, Zhi; Forrest, William P.; Gao, Yang; Fanwick, Phillip E.; Ren, Tong","trans-[Fe(cyclam)(C2R)2]+: A New Family of Iron(III) Bis-Alkynyl Compounds","Organometallics","2012","31","17","6199","","10.1021/om300515r","","","1.54184","CU-Kα","","0.134","0.095","","","0.252","0.292","","","","","","1.039","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4079137","14.3896","0.0002","11.5377","0.0002","16.7832","0.0003","90","","107.82","0.001","90","","2652.71","0.08","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 Cl3 N O P Ru S -","- C21 H37 Cl3 N O P Ru S -","- C84 H148 Cl12 N4 O4 P4 Ru4 S4 -","4","1","","Gargir, Moti; Ben-David, Yehoshua; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","PNS-Type Ruthenium Pincer Complexes","Organometallics","2012","31","17","6207","","10.1021/om300516j","","","0.71073","MoKα","","0.0552","0.0415","","","0.0841","0.0887","","","","","","1.168","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079138","9.3128","0.0019","9.4472","0.0019","12.965","0.003","85.03","0.04","72.33","0.03","83.34","0.03","1077.9","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H68 N2 O2 P2 Ru2 S2 -","- C40 H68 N2 O2 P2 Ru2 S2 -","- C40 H68 N2 O2 P2 Ru2 S2 -","1","0.5","","Gargir, Moti; Ben-David, Yehoshua; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","PNS-Type Ruthenium Pincer Complexes","Organometallics","2012","31","17","6207","","10.1021/om300516j","","","0.71073","MoKα","","0.0578","0.0425","","","0.0864","0.0925","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079139","22.4462","0.0008","16.0164","0.0006","27.0697","0.001","90","","111.398","0.002","90","","9060.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H72 N2 O2 P2 Ru2 S2 -","- C41 H72 N2 O2 P2 Ru2 S2 -","- C328 H576 N16 O16 P16 Ru16 S16 -","8","2","","Gargir, Moti; Ben-David, Yehoshua; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","PNS-Type Ruthenium Pincer Complexes","Organometallics","2012","31","17","6207","","10.1021/om300516j","","","0.71073","MoKα","","0.0992","0.0485","","","0.0889","0.1101","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079140","14.3105","0.0007","11.8513","0.0006","16.723","0.0006","90","","124.669","0.003","90","","2332.6","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20.17 H35.17 Cl0.83 N O1.34 P Ru S -","- C20.17 H35.17 Cl0.83 N O1.34 P Ru S -","- C80.68 H140.68 Cl3.32 N4 O5.36 P4 Ru4 S4 -","4","1","","Gargir, Moti; Ben-David, Yehoshua; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","PNS-Type Ruthenium Pincer Complexes","Organometallics","2012","31","17","6207","","10.1021/om300516j","","","0.71073","MoKα","","0.0345","0.0296","","","0.0674","0.0691","","","","","","1.183","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079141","42.824","0.009","10.924","0.002","19.516","0.004","90","","109.912","0.003","90","","8584","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H60 O Si5 -","- C45 H60 O Si5 -","- C360 H480 O8 Si40 -","8","1","","Ishida, Shintaro; Uchida, Kenya; Onodera, Tsunenobu; Oikawa, Hidetoshi; Kira, Mitsuo; Iwamoto, Takeaki","Siloxy-Substituted Cyclopentadiene Showing Aggregation-Enhanced Emission: An Application of Cycloaddition of Isolable Dialkylsilylene","Organometallics","2012","31","17","5983","","10.1021/om3005178","","","0.71073","MoKα","","0.0657","0.0561","","","0.143","0.151","","","","","","1.036","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079142","11.556","0.002","14.496","0.003","22.11","0.004","94.396","0.002","101.368","0.002","105.622","0.002","3463.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H107 O Si10 -","- C64 H107 O Si10 -","- C128 H214 O2 Si20 -","2","1","","Ishida, Shintaro; Uchida, Kenya; Onodera, Tsunenobu; Oikawa, Hidetoshi; Kira, Mitsuo; Iwamoto, Takeaki","Siloxy-Substituted Cyclopentadiene Showing Aggregation-Enhanced Emission: An Application of Cycloaddition of Isolable Dialkylsilylene","Organometallics","2012","31","17","5983","","10.1021/om3005178","","","0.71073","MoKα","","0.0618","0.0409","","","0.0948","0.1031","","","","","","0.977","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079143","11.044","0.001","12.581","0.0014","12.62","0.0009","81.165","0.008","78.221","0.007","75.831","0.012","1654.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(2,6-diisopropyl-phenyl)-[(2-isopropyl-phenyl)-[6-(1H-pyrrol-2-yl)- pyridin-2-yl]-methyl]-amine-bis(dimethylamino) -Titanium(I)","","- C35 H47 N5 Ti -","- C35 H47 N5 Ti -","- C70 H94 N10 Ti2 -","2","1","","Li, Gang; Lamberti, Marina; Roviello, Giuseppina; Pellecchia, Claudio","New Titanium and Hafnium Complexes Bearing [−NNN‒] Pyrrolylpyridylamido Ligands as Olefin Polymerization Catalysts","Organometallics","2012","31","19","6772","","10.1021/om300519s","","","0.71073","MoKα","","0.0627","0.0438","","","0.0992","0.1123","","","","","","1.092","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079144","35.772","0.002","13.073","0.003","14.102","0.005","90","","90","","90","","6595","3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2,6-diisopropyl-phenyl)-[(2-isopropyl-phenyl)-[6-(1H-pyrrol-2-yl)- pyridin-2-yl]-methyl]-amine-bis(dimethylamino) -Hafnium","","- C35 H47 Hf N5 -","- C35 H47 Hf N5 -","- C280 H376 Hf8 N40 -","8","2","","Li, Gang; Lamberti, Marina; Roviello, Giuseppina; Pellecchia, Claudio","New Titanium and Hafnium Complexes Bearing [−NNN‒] Pyrrolylpyridylamido Ligands as Olefin Polymerization Catalysts","Organometallics","2012","31","19","6772","","10.1021/om300519s","","","0.71073","MoKα","","0.0374","0.0297","","","0.0501","0.0516","","","","","","1.123","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079145","23.719","0.002","11.9157","0.0012","16.9613","0.0017","90","","107.073","0.002","90","","4582.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H52 Cl4 N6 Pd -","- C43 H52 Cl4 N6 Pd -","- C172 H208 Cl16 N24 Pd4 -","4","0.5","","Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.","Synthesis and Structure of Palladium 1,2,3-Triazol-5-ylidene Mesoionic Carbene PEPPSI Complexes and Their Catalytic Applications in the Mizoroki‒Heck Reaction","Organometallics","2012","31","17","6215","","10.1021/om3005228","","","0.71073","MoKα","","0.1115","0.0744","","","0.1854","0.2206","","","","","","1.06","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079146","15.235","0.006","8.948","0.004","19.304","0.008","90","","101.053","0.005","90","","2582.8","1.9","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H54 Cl4 N8 Pd2 -","- C46 H54 Cl4 N8 Pd2 -","- C92 H108 Cl8 N16 Pd4 -","2","1","","Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.","Synthesis and Structure of Palladium 1,2,3-Triazol-5-ylidene Mesoionic Carbene PEPPSI Complexes and Their Catalytic Applications in the Mizoroki‒Heck Reaction","Organometallics","2012","31","17","6215","","10.1021/om3005228","","","0.71073","MoKα","","0.1509","0.0663","","","0.134","0.1603","","","","","","0.859","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079147","10.5239","0.0003","15.6327","0.0004","21.1539","0.0006","109.601","0.002","98.819","0.002","100.718","0.002","3132.62","0.16","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.75 H31.5 Cl3.5 N4 Pd -","- C25.99 H29.97 Cl2 N4 Pd -","- C103.96 H119.88 Cl8 N16 Pd4 -","4","2","","Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.","Synthesis and Structure of Palladium 1,2,3-Triazol-5-ylidene Mesoionic Carbene PEPPSI Complexes and Their Catalytic Applications in the Mizoroki‒Heck Reaction","Organometallics","2012","31","17","6215","","10.1021/om3005228","","","0.71073","MoKα","","0.0765","0.0584","","","0.1585","0.1678","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079148","23.6676","0.0013","11.3775","0.0002","17.8694","0.0017","90","","127.018","0.009","90","","3842","0.6","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 N3 O4 Re -","- C22 H12 N3 O4 Re -","- C176 H96 N24 O32 Re8 -","8","1","","Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man","Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study","Organometallics","2012","31","20","7074","","10.1021/om300526e","","","0.71073","MOKα","","0.0198","0.0184","","","0.0487","0.0497","","","","","","1.08","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079149","12.1681","0.0003","11.0649","0.0003","17.4182","0.0004","90","0.02","91.646","0.002","90","0.02","2344.2","0.1","133","","133","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 F6 N3 O4 P Re -","- C22 H13 F6 N3 O4 P Re -","- C88 H52 F24 N12 O16 P4 Re4 -","4","1","","Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man","Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study","Organometallics","2012","31","20","7074","","10.1021/om300526e","","","1.54178","CuKα","","0.0301","0.0295","","","0.0752","0.0757","","","","","","1.139","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079150","8.1807","0.0009","11.7759","0.0008","12.6684","0.0009","83.666","0.006","81.993","0.007","75.973","0.007","1168.75","0.18","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H15 F6 N3 O4 P Re -","- C23 H15 F6 N3 O4 P Re -","- C46 H30 F12 N6 O8 P2 Re2 -","2","1","","Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man","Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study","Organometallics","2012","31","20","7074","","10.1021/om300526e","","","1.54184","CUKα","","0.0282","0.0279","","","0.0763","0.0766","","","","","","1.086","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079151","10.9257","0.0002","20.0094","0.0003","17.2111","0.0003","90","0.02","100.859","0.002","90","0.02","3695.26","0.11","133","2","133.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 F6 N3 O4 P2 Re -","- C37 H32 F6 N3 O4 P2 Re -","- C148 H128 F24 N12 O16 P8 Re4 -","4","1","","Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man","Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study","Organometallics","2012","31","20","7074","","10.1021/om300526e","","","1.5418","CuKα","","0.0245","0.0228","","","0.0573","0.0584","","","","","","1.049","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079152","13.7655","0.0001","19.0956","0.0002","24.872","0.0003","90","0.02","101.053","0.001","90","0.02","6416.59","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H29.25 F6 N3 O6.13 P2 Re -","- C27.5 H29.25 F6 N3 O6.125 P2 Re -","- C220 H234 F48 N24 O49 P16 Re8 -","8","2","","Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man","Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study","Organometallics","2012","31","20","7074","","10.1021/om300526e","","","1.54184","CUKα","","0.0724","0.0666","","","0.1564","0.1582","","","","","","1.247","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079153","8.9977","0.0003","22.9216","0.0006","11.8033","0.0003","90","0.02","91.1","0.02","90","0.02","2433.88","0.12","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F3 N3 O7 Re S -","- C24 H15 F3 N3 O7 Re S -","- C96 H60 F12 N12 O28 Re4 S4 -","4","1","","Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man","Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study","Organometallics","2012","31","20","7074","","10.1021/om300526e","","","1.54184","CUKα","","0.0298","0.0294","","","0.0786","0.0789","","","","","","1.145","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079154","13.888","0.0006","8.7445","0.0004","24.6995","0.001","90","","98.706","0.004","90","","2965","0.2","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 F3 N3 O5 P Re S -","- C30 H24 F3 N3 O5 P Re S -","- C120 H96 F12 N12 O20 P4 Re4 S4 -","4","1","","Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man","Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study","Organometallics","2012","31","20","7074","","10.1021/om300526e","","","1.54184","CUKα","","0.0402","0.038","","","0.1049","0.1075","","","","","","1.034","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079155","11.9288","0.0004","17.8388","0.0005","17.6239","0.0005","90","","107.215","0.004","90","","3582.3","0.2","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 F3 N3 O5 P Re S -","- C35 H26 F3 N3 O5 P Re S -","- C140 H104 F12 N12 O20 P4 Re4 S4 -","4","1","","Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man","Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study","Organometallics","2012","31","20","7074","","10.1021/om300526e","","","1.54184","CUKα","","0.0388","0.0348","","","0.0896","0.0929","","","","","","1.043","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079156","23.123","0.005","8.9946","0.0018","24.82","0.005","90","","94.149","0.005","90","","5148.6","1.8","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C53.5 H70 Cl N4 O Yb -","- C53.5 H58 Cl N4 O Yb -","- C214 H232 Cl4 N16 O4 Yb4 -","4","1","","Shen, Xiaodong; Xue, Mingqiang; Jiao, Rui; Ma, Yong; Zhang, Yong; Shen, Qi","Bis(β-diketiminate) Rare-Earth-Metal Borohydrides: Syntheses, Structures, and Catalysis for the Polymerizations ofl-Lactide, ε-Caprolactone, and Methyl Methacrylate","Organometallics","2012","31","17","6222","","10.1021/om3005299","","","0.7107","MoKα","","0.0659","0.054","","","0.1135","0.1192","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079157","9.062","0.0006","12.4085","0.0012","20.938","0.002","86.514","0.006","81.914","0.005","82.017","0.006","2306.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H66 B N4 Y -","- C49.5 H62 B N4 Y -","- C99 H124 B2 N8 Y2 -","2","1","","Shen, Xiaodong; Xue, Mingqiang; Jiao, Rui; Ma, Yong; Zhang, Yong; Shen, Qi","Bis(β-diketiminate) Rare-Earth-Metal Borohydrides: Syntheses, Structures, and Catalysis for the Polymerizations ofl-Lactide, ε-Caprolactone, and Methyl Methacrylate","Organometallics","2012","31","17","6222","","10.1021/om3005299","","","0.71075","MoKα","","0.1287","0.087","","","0.1912","0.2134","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079158","22.0087","0.0017","8.489","0.0004","16.4327","0.0013","90","","129.771","0.001","90","","2359.7","0.3","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H70 B N4 O Yb -","- C50 H62 B N4 O Yb -","- C100 H124 B2 N8 O2 Yb2 -","2","0.5","","Shen, Xiaodong; Xue, Mingqiang; Jiao, Rui; Ma, Yong; Zhang, Yong; Shen, Qi","Bis(β-diketiminate) Rare-Earth-Metal Borohydrides: Syntheses, Structures, and Catalysis for the Polymerizations ofl-Lactide, ε-Caprolactone, and Methyl Methacrylate","Organometallics","2012","31","17","6222","","10.1021/om3005299","","","0.71075","MoKα","","0.0323","0.0312","","","0.0664","0.0667","","","","","","1.02","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079159","22.685","0.005","38.486","0.006","8.1013","0.0013","90","","90","","90","","7073","2","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H46 B N4 Y -","- C38 H46 B N4 Y -","- C304 H368 B8 N32 Y8 -","8","0.5","","Shen, Xiaodong; Xue, Mingqiang; Jiao, Rui; Ma, Yong; Zhang, Yong; Shen, Qi","Bis(β-diketiminate) Rare-Earth-Metal Borohydrides: Syntheses, Structures, and Catalysis for the Polymerizations ofl-Lactide, ε-Caprolactone, and Methyl Methacrylate","Organometallics","2012","31","17","6222","","10.1021/om3005299","","","0.71075","MoKα","","0.0698","0.0466","","","0.0664","0.075","","","","","","0.914","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079160","21.2509","0.0017","12.8271","0.001","16.7357","0.0013","90","","105.587","0.002","90","","4394.2","0.6","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 B N4 O2 Yb -","- C46 H46 B N4 O2 Yb -","- C184 H184 B4 N16 O8 Yb4 -","4","0.5","","Shen, Xiaodong; Xue, Mingqiang; Jiao, Rui; Ma, Yong; Zhang, Yong; Shen, Qi","Bis(β-diketiminate) Rare-Earth-Metal Borohydrides: Syntheses, Structures, and Catalysis for the Polymerizations ofl-Lactide, ε-Caprolactone, and Methyl Methacrylate","Organometallics","2012","31","17","6222","","10.1021/om3005299","","","0.71075","MoKα","","0.0359","0.0336","","","0.087","0.0885","","","","","","1.078","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079161","9.75","0.0004","15.3223","0.0007","22.0934","0.0009","90","","90.538","0.002","90","","3300.4","0.2","293","","293","","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl Cu N8 -","- C27 H34 Cl Cu N8 -","- C108 H136 Cl4 Cu4 N32 -","4","1","","Gibard, Clémentine; Avignant, Daniel; Cisnetti, Federico; Gautier, Arnaud","CuAAC Functionalization of Azide-Tagged Copper(I)-NHCs Acting as Catalyst and Substrate","Organometallics","2012","31","22","7902","","10.1021/om3005355","","","0.71073","MoKα","","0.1106","0.0527","","0.1443","0.0552","0.0529","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079162","8.23","0.003","21.745","0.007","9.403","0.003","90","","100.924","0.003","90","","1652.3","1","106","2","106","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ditrifluoroacetategoldtolylpyridine","","- C16 H10 Au F6 N O4 -","- C16 H10 Au F6 N O4 -","- C64 H40 Au4 F24 N4 O16 -","4","1","","Langseth, Eirin; Görbitz, Carl Henrik; Heyn, Richard H.; Tilset, Mats","Versatile Methods for Preparation of New Cyclometalated Gold(III) Complexes","Organometallics","2012","31","18","6567","","10.1021/om300537a","","","0.71073","MoKα","","0.0561","0.048","","","0.1362","0.1425","","","","","","1.139","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079163","4.9545","0.0003","8.5064","0.0005","28.892","0.0017","90","","90","","90","","1217.65","0.13","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethylgoldtolylpyridine","","- C14 H16 Au N -","- C14 H16 Au N -","- C56 H64 Au4 N4 -","4","1","","Langseth, Eirin; Görbitz, Carl Henrik; Heyn, Richard H.; Tilset, Mats","Versatile Methods for Preparation of New Cyclometalated Gold(III) Complexes","Organometallics","2012","31","18","6567","","10.1021/om300537a","","","0.71073","MoKα","","0.0424","0.0316","","","0.0548","0.057","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079164","16.7538","0.0004","8.615","0.0002","17.6515","0.0004","90","","110.52","0.001","90","","2386.06","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br2 N4 Pt -","- C20 H20 Br2 N4 Pt -","- C80 H80 Br8 N16 Pt4 -","4","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.","Switching by Photochemicaltrans‒cisIsomerization of Azobenzene Substituents in Organoplatinum Complexes","Organometallics","2012","31","17","6262","","10.1021/om3005405","","","0.71073","MoKα","","0.0347","0.0245","","","0.0555","0.0583","","","","","","1.044","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079165","7.7382","0.0004","13.0717","0.0008","13.3867","0.0013","114.095","0.002","91.776","0.002","106.269","0.001","1170.17","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 I3 N4 Pt -","- C20 H20 I3 N4 Pt -","- C40 H40 I6 N8 Pt2 -","2","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.","Switching by Photochemicaltrans‒cisIsomerization of Azobenzene Substituents in Organoplatinum Complexes","Organometallics","2012","31","17","6262","","10.1021/om3005405","","","0.71073","MoKα","","0.0481","0.0365","","","0.0956","0.1053","","","","","","1.047","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079166","7.4445","0.0015","7.8799","0.0016","19.855","0.004","94.28","0.03","97.39","0.03","107.26","0.03","1095.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 I N4 Pt -","- C21 H23 I N4 Pt -","- C42 H46 I2 N8 Pt2 -","2","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.","Switching by Photochemicaltrans‒cisIsomerization of Azobenzene Substituents in Organoplatinum Complexes","Organometallics","2012","31","17","6262","","10.1021/om3005405","","","0.71073","MoKα","","0.0467","0.0393","","","0.1107","0.1281","","","","","","1.097","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079167","11.4006","0.0004","7.6959","0.0003","17.9355","0.0006","90","","108.246","0.001","90","","1494.5","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C76 H80 N8 -","4","1","","Fontaine, Philip P.; Klosin, Jerzy; McDougal, Nolan T.","Hafnium Amidoquinoline Complexes: Highly Active Olefin Polymerization Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2012","31","17","6244","","10.1021/om3005417","","","0.71073","MoKα","","0.0462","0.0426","","","0.1153","0.1191","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079168","19.356","0.0008","10.8341","0.0005","19.6206","0.0008","90","","90.103","0.002","90","","4114.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 Hf N2 -","- C51 H57 Hf N2 -","- C204 H228 Hf4 N8 -","4","1","","Fontaine, Philip P.; Klosin, Jerzy; McDougal, Nolan T.","Hafnium Amidoquinoline Complexes: Highly Active Olefin Polymerization Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2012","31","17","6244","","10.1021/om3005417","","","0.71073","MoKα","","0.0328","0.0223","","","0.0437","0.0465","","","","","","1.008","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079169","10.6885","0.0003","11.3828","0.0003","15.1933","0.0004","106.745","0.001","90.482","0.001","101.713","0.001","1728.83","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H42 Hf N2 -","- C44 H42 Hf N2 -","- C88 H84 Hf2 N4 -","2","1","","Fontaine, Philip P.; Klosin, Jerzy; McDougal, Nolan T.","Hafnium Amidoquinoline Complexes: Highly Active Olefin Polymerization Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2012","31","17","6244","","10.1021/om3005417","","","0.71073","MoKα","","0.0151","0.014","","","0.0345","0.0349","","","","","","1.048","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079170","10.7327","0.0005","11.4756","0.0005","15.0593","0.0007","103.969","0.002","101.89","0.002","103.388","0.002","1682.26","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H42 Hf N2 -","- C42.5 H42 Hf N2 -","- C85 H84 Hf2 N4 -","2","1","","Fontaine, Philip P.; Klosin, Jerzy; McDougal, Nolan T.","Hafnium Amidoquinoline Complexes: Highly Active Olefin Polymerization Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2012","31","17","6244","","10.1021/om3005417","","","0.71073","MoKα","","0.0254","0.0204","","","0.041","0.0422","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079171","10.6348","0.0008","13.7845","0.001","22.0152","0.0016","90","","96.368","0.001","90","","3207.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Hf N2 -","- C40 H40 Hf N2 -","- C160 H160 Hf4 N8 -","4","1","","Fontaine, Philip P.; Klosin, Jerzy; McDougal, Nolan T.","Hafnium Amidoquinoline Complexes: Highly Active Olefin Polymerization Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2012","31","17","6244","","10.1021/om3005417","","","0.71073","MoKα","","0.0501","0.0339","","","0.0638","0.0709","","","","","","1.053","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079172","9.0654","0.0005","9.1113","0.0005","13.9447","0.0008","78.571","0.001","75.508","0.001","74.201","0.001","1062.52","0.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Ag2 F12 N8 P2 -","- C44 H36 Ag2 F12 N8 P2 -","- C44 H36 Ag2 F12 N8 P2 -","1","0.5","","Gierz, Verena; Seyboldt, Alexander; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Speidel, Michael T.; Speiser, Bernd; Eichele, Klaus; Kunz, Doris","Dinuclear Coinage-Metal Complexes of Bis(NHC) Ligands: Structural Features and Dynamic Behavior of a Cu‒Cu Complex","Organometallics","2012","31","22","7893","","10.1021/om300544g","","","0.71073","MoKα","","0.0183","0.0179","","","0.08","0.0833","","","","","","0.82","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079173","14.1554","0.0006","30.4245","0.0012","10.8287","0.0004","90","","101.145","0.002","90","","4575.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H36 Au2 F12 N8 P2 -","- C44 H36 Au2 F12 N8 P2 -","- C176 H144 Au8 F48 N32 P8 -","4","0.5","","Gierz, Verena; Seyboldt, Alexander; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Speidel, Michael T.; Speiser, Bernd; Eichele, Klaus; Kunz, Doris","Dinuclear Coinage-Metal Complexes of Bis(NHC) Ligands: Structural Features and Dynamic Behavior of a Cu‒Cu Complex","Organometallics","2012","31","22","7893","","10.1021/om300544g","","","0.71073","MoKα","","0.028","0.0263","","","0.0594","0.0605","","","","","","1.113","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079174","21.6031","0.0011","23.3502","0.0011","19.875","0.001","90","","90","","90","","10025.7","0.9","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C46 H40 Cl4 Cu2 F12 N8 P2 -","- C46 H40 Cl4 Cu2 F12 N8 P2 -","- C368 H320 Cl32 Cu16 F96 N64 P16 -","8","0.5","","Gierz, Verena; Seyboldt, Alexander; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Speidel, Michael T.; Speiser, Bernd; Eichele, Klaus; Kunz, Doris","Dinuclear Coinage-Metal Complexes of Bis(NHC) Ligands: Structural Features and Dynamic Behavior of a Cu‒Cu Complex","Organometallics","2012","31","22","7893","","10.1021/om300544g","","","0.71073","MoKα","","0.0328","0.0295","","","0.0716","0.0744","","","","","","1.04","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079175","10.8315","0.0005","11.6081","0.0005","19.9343","0.0008","83.369","0.004","89.53","0.004","86.773","0.004","2485.68","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H55.72 F3 N5 O5.36 Pd2 S -","- C52 H55 F3 N5 O5.356 Pd2 S -","- C104 H110 F6 N10 O10.712 Pd4 S2 -","2","1","","Chicote, María-Teresa; Vicente-Hernández, Inmaculada; Jones, Peter G.; Vicente, José","The First Complexes with Two Metallacycles Fused Around a Common Aryl Substituent: “Akimbo” Complexes","Organometallics","2012","31","17","6252","","10.1021/om300545k","","","1.54184","CuKα","","0.0522","0.0503","","","0.1216","0.123","","","","","","1.026","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079176","10.554","0.002","16.239","0.003","17.145","0.003","73.875","0.008","72.862","0.007","81.53","0.009","2690.6","0.9","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H60 Cl2 O4 Si2 -","- C64 H52 Cl2 O4 Si2 -","- C128 H104 Cl4 O8 Si4 -","2","1","","Tanabe, Makoto; Yumoto, Ryouhei; Osakada, Kohtaro; Sanji, Takanobu; Tanaka, Masato","Preparation and Properties of Perarylated 3,4-Disila-1,5-hexadienes. A Fluorescent Disilane Accommodated in the Crystal Lattice","Organometallics","2012","31","19","6787","","10.1021/om300551t","","","0.7107","MoKα","","0.1211","0.0835","","","0.2272","0.2517","","","","","","1.249","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079177","10.128","0.006","10.558","0.006","11.947","0.006","63.53","0.03","74.68","0.04","79.16","0.04","1099.3","1.1","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H50 Si2 -","- C56 H50 Si2 -","- C56 H50 Si2 -","1","0.5","","Tanabe, Makoto; Yumoto, Ryouhei; Osakada, Kohtaro; Sanji, Takanobu; Tanaka, Masato","Preparation and Properties of Perarylated 3,4-Disila-1,5-hexadienes. A Fluorescent Disilane Accommodated in the Crystal Lattice","Organometallics","2012","31","19","6787","","10.1021/om300551t","","","0.7107","MoKα","","0.0951","0.0548","","","0.1213","0.1443","","","","","","0.94","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079178","10.1977","0.0012","15.0821","0.0017","18.091","0.003","70.922","0.007","77.663","0.007","66.104","0.006","2393.6","0.6","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H38 F12 Si2 -","- C56 H38 F12 Si2 -","- C112 H76 F24 Si4 -","2","1","","Tanabe, Makoto; Yumoto, Ryouhei; Osakada, Kohtaro; Sanji, Takanobu; Tanaka, Masato","Preparation and Properties of Perarylated 3,4-Disila-1,5-hexadienes. A Fluorescent Disilane Accommodated in the Crystal Lattice","Organometallics","2012","31","19","6787","","10.1021/om300551t","","","0.7107","MoKα","","0.1114","0.0795","","","0.2038","0.2225","","","","","","1.004","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079179","9.504","0.004","12.433","0.005","12.806","0.005","103.954","0.005","94.733","0.004","105.892","0.005","1394.4","1","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H54 N4 Si2 -","- C70 H54 N4 Si2 -","- C70 H54 N4 Si2 -","1","0.5","","Tanabe, Makoto; Yumoto, Ryouhei; Osakada, Kohtaro; Sanji, Takanobu; Tanaka, Masato","Preparation and Properties of Perarylated 3,4-Disila-1,5-hexadienes. A Fluorescent Disilane Accommodated in the Crystal Lattice","Organometallics","2012","31","19","6787","","10.1021/om300551t","","","0.7107","MoKα","","0.101","0.08","","","0.2163","0.2392","","","","","","1.343","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079180","8.59","0.003","9.837","0.003","21.36","0.007","101.861","0.007","91.029","0.007","97.388","0.006","1749.9","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 Br N2 -","- C22 H17 Br N2 -","- C88 H68 Br4 N8 -","4","2","","John, Alex; Nicholas, Kenneth M.","Copper-Mediated Multiple C–H Functionalization of AromaticN-Heterocycles: Bromoamination of Indoles and Pyrroles","Organometallics","2012","31","22","7914","","10.1021/om300553b","","","0.71073","MoKα","","0.084","0.0602","","","0.1651","0.1754","","","","","","1.088","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4079181","16.756","0.0018","21.766","0.002","19.5","0.002","90","","98.504","0.002","90","","7033.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Hf2 N2 O2 -","- C38 H52 Hf2 N2 O2 -","- C304 H416 Hf16 N16 O16 -","8","2","","Semproni, Scott P.; Margulieux, Grant W.; Chirik, Paul J.","Di- and Tetrametallic Hafnocene Oxamidides Prepared from CO-Induced N2Bond Cleavage and Thermal Rearrangement to Hafnocene Cyanide Derivatives","Organometallics","2012","31","17","6278","","10.1021/om3005542","","","0.71073","MoKα","","0.0677","0.0364","","","0.0618","0.0677","","","","","","1.088","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079182","10.709","0.005","12.121","0.005","15.003","0.005","73.565","0.005","73.88","0.005","80.049","0.005","1785","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H104 Hf4 N4 O6 -","- C76 H104 Hf4 N4 O6 -","- C76 H104 Hf4 N4 O6 -","1","0.5","","Semproni, Scott P.; Margulieux, Grant W.; Chirik, Paul J.","Di- and Tetrametallic Hafnocene Oxamidides Prepared from CO-Induced N2Bond Cleavage and Thermal Rearrangement to Hafnocene Cyanide Derivatives","Organometallics","2012","31","17","6278","","10.1021/om3005542","","","0.71073","MoKα","","0.0403","0.026","","","0.0603","0.0783","","","","","","1.114","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079183","9.588","0.005","10.972","0.005","11.333","0.005","87.33","0.005","69.543","0.005","87.477","0.005","1115.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H72 Hf2 N2 O2 Si2 -","- C46 H72 Hf2 N2 O2 Si2 -","- C46 H72 Hf2 N2 O2 Si2 -","1","0.5","","Semproni, Scott P.; Margulieux, Grant W.; Chirik, Paul J.","Di- and Tetrametallic Hafnocene Oxamidides Prepared from CO-Induced N2Bond Cleavage and Thermal Rearrangement to Hafnocene Cyanide Derivatives","Organometallics","2012","31","17","6278","","10.1021/om3005542","","","0.71073","MoKα","","0.0143","0.013","","","0.0309","0.0313","","","","","","1.03","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079184","18.113","0.0016","21.725","0.002","10.8591","0.001","90","","97.353","0.002","90","","4238","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H122 Hf4 N6 O6 -","- C92 H122 Hf4 N6 O6 -","- C184 H244 Hf8 N12 O12 -","2","0.5","","Semproni, Scott P.; Margulieux, Grant W.; Chirik, Paul J.","Di- and Tetrametallic Hafnocene Oxamidides Prepared from CO-Induced N2Bond Cleavage and Thermal Rearrangement to Hafnocene Cyanide Derivatives","Organometallics","2012","31","17","6278","","10.1021/om3005542","","","0.71073","MoKα","","0.0476","0.0364","","","0.0804","0.0843","","","","","","1.081","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079185","20.209","0.005","12.339","0.005","17.859","0.005","90","","106.585","0.005","90","","4268","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Hf2 N4 O4 -","- C44 H62 Hf2 N4 O4 -","- C176 H248 Hf8 N16 O16 -","4","0.5","","Semproni, Scott P.; Margulieux, Grant W.; Chirik, Paul J.","Di- and Tetrametallic Hafnocene Oxamidides Prepared from CO-Induced N2Bond Cleavage and Thermal Rearrangement to Hafnocene Cyanide Derivatives","Organometallics","2012","31","17","6278","","10.1021/om3005542","","","0.71073","MoKα","","0.0301","0.0203","","","0.0485","0.0634","","","","","","1.117","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079186","20.209","0.005","9.345","0.005","16.632","0.005","90","","98.321","0.005","90","","3108","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Hf2 N2 O2 -","- C34 H44 Hf2 N2 O2 -","- C136 H176 Hf8 N8 O8 -","4","1","","Semproni, Scott P.; Margulieux, Grant W.; Chirik, Paul J.","Di- and Tetrametallic Hafnocene Oxamidides Prepared from CO-Induced N2Bond Cleavage and Thermal Rearrangement to Hafnocene Cyanide Derivatives","Organometallics","2012","31","17","6278","","10.1021/om3005542","","","0.71073","MoKα","","0.0525","0.0445","","","0.1323","0.141","","","","","","1.155","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079187","31.222","0.003","9.6875","0.0009","22.409","0.002","90","","133.666","0.001","90","","4903","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H76 Hf2 N2 O3.92 Si2 -","- C50 H76 Hf2 N2 O3.924 Si2 -","- C200 H304 Hf8 N8 O15.696 Si8 -","4","0.5","","Semproni, Scott P.; Margulieux, Grant W.; Chirik, Paul J.","Di- and Tetrametallic Hafnocene Oxamidides Prepared from CO-Induced N2Bond Cleavage and Thermal Rearrangement to Hafnocene Cyanide Derivatives","Organometallics","2012","31","17","6278","","10.1021/om3005542","","","0.71073","MoKα","","0.0218","0.0194","","","0.039","0.0394","","","","","","1.221","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079188","9.3702","0.001","16.9273","0.0019","23.057","0.003","78.706","0.002","86.968","0.003","88.166","0.002","3580.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C149.03 H188 F4 Hf8 I4 N3.03 O7.03 -","- C149.033 H188 F4 Hf8 I4 N3.0328 O7.0328 -","- C149.033 H188 F4 Hf8 I4 N3.0328 O7.0328 -","1","0.5","","Semproni, Scott P.; Margulieux, Grant W.; Chirik, Paul J.","Di- and Tetrametallic Hafnocene Oxamidides Prepared from CO-Induced N2Bond Cleavage and Thermal Rearrangement to Hafnocene Cyanide Derivatives","Organometallics","2012","31","17","6278","","10.1021/om3005542","","","0.71073","MoKα","","0.0493","0.0424","","","0.0965","0.101","","","","","","1.194","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079189","7.589","0.004","13.7459","0.0012","14.8097","0.0018","109.43","0.008","101.394","0.005","98.23","0.007","1391.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H64 Cu4 I4 N30 O2 P4 -","- C28 H64 Cu4 I4 N30 O2 P4 -","- C28 H64 Cu4 I4 N30 O2 P4 -","1","0.5","","Kirillov, Alexander M.; Filipowicz, Małgorzata; Guedes da Silva, M. Fátima C.; Kłak, Julia; Smoleński, Piotr; Pombeiro, Armando J. L.","Unprecedented Mixed-Valence Cu(I)/Cu(II) Complex Derived fromN-Methyl-1,3,5-triaza-7-phosphaadamantane: Synthesis, Structural Features, and Magnetic Properties","Organometallics","2012","31","22","7921","","10.1021/om3005564","","","0.71069","MoKα","","0.0372","0.0294","","","0.0716","0.0758","","","","","","1.02","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079190","11.3575","0.0016","18.976","0.002","35.022","0.003","90","","90","","90","","7547.9","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H32 F9 Ir N4 O3 S -","- C35 H32 F9 Ir N4 O3 S -","- C280 H256 F72 Ir8 N32 O24 S8 -","8","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.0182","0.0159","","","0.0367","0.0381","","","","","","1.224","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079191","14.4301","0.0018","16.0365","0.0016","20.574","0.004","97.072","0.011","106.481","0.01","104.78","0.009","4315.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H30 F15 Ir N4 O3 S -","- C37 H30 F15 Ir N4 O3 S -","- C148 H120 F60 Ir4 N16 O12 S4 -","4","2","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.0501","0.0303","","","0.0695","0.0817","","","","","","1.15","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079192","13.4577","0.0018","13.602","0.002","22.574","0.004","102.632","0.015","95.986","0.011","91.729","0.013","4004.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 F9 Ir N4 O5 S -","- C35 H32 F9 Ir N4 O5 S -","- C140 H128 F36 Ir4 N16 O20 S4 -","4","2","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.0771","0.0617","","","0.1496","0.1605","","","","","","1.239","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079193","13.221","0.002","13.629","0.002","22.862","0.005","90","","95.2","0.013","90","","4102.5","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cl2 F9 Ir N4 O3 S -","- C36 H34 Cl2 F9 Ir N4 O3 S -","- C144 H136 Cl8 F36 Ir4 N16 O12 S4 -","4","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.1056","0.0927","","","0.2594","0.2672","","","","","","1.327","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079194","13.3214","0.0012","19.264","0.005","30.362","0.006","90","","90","","90","","7792","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H32 F9 Ir N4 O5 S -","- C35 H32 F9 Ir N4 O5 S -","- C280 H256 F72 Ir8 N32 O40 S8 -","8","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.067","0.0443","","","0.088","0.0979","","","","","","1.336","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079195","13.8499","0.0004","13.3155","0.0003","27.0349","0.0008","90","","90","","90","","4985.7","0.2","115","2","115","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Fe N6 P2 Se2 -","- C20 H30 Fe N6 P2 Se2 -","- C160 H240 Fe8 N48 P16 Se16 -","8","1","","Marchenko, Anatolyi; Hurieva, Anastasiya; Koidan, Heorgii; Rampazzi, Vincent; Cattey, Hélène; Pirio, Nadine; Kostyuk, Aleksandr N.; Hierso, Jean-Cyrille","First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures","Organometallics","2012","31","17","5986","","10.1021/om300563n","","","0.71073","MoKα","","0.0291","0.0243","","","0.0524","0.0549","","","","","","1.069","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079196","9.4668","0.0003","23.7224","0.0007","7.2805","0.0002","90","","96.985","0.001","90","","1622.88","0.08","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Fe N3 P Se -","- C15 H20 Fe N3 P Se -","- C60 H80 Fe4 N12 P4 Se4 -","4","1","","Marchenko, Anatolyi; Hurieva, Anastasiya; Koidan, Heorgii; Rampazzi, Vincent; Cattey, Hélène; Pirio, Nadine; Kostyuk, Aleksandr N.; Hierso, Jean-Cyrille","First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures","Organometallics","2012","31","17","5986","","10.1021/om300563n","","","0.71073","MoKα","","0.0229","0.0215","","","0.0513","0.0523","","","","","","1.073","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079197","9.9218","0.0002","10.0176","0.0002","25.3743","0.0006","89.1691","0.0009","85.176","0.0011","62.253","0.001","2223.24","0.08","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Fe N6 P2 -","- C20 H30 Fe N6 P2 -","- C80 H120 Fe4 N24 P8 -","4","2","","Marchenko, Anatolyi; Hurieva, Anastasiya; Koidan, Heorgii; Rampazzi, Vincent; Cattey, Hélène; Pirio, Nadine; Kostyuk, Aleksandr N.; Hierso, Jean-Cyrille","First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures","Organometallics","2012","31","17","5986","","10.1021/om300563n","","","0.71073","MoKα","","0.0398","0.0334","","","0.0722","0.0768","","","","","","1.093","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079198","20.1608","0.0005","11.2594","0.0004","13.2055","0.0004","90","","90","","90","","2997.63","0.16","115","2","115","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H20 Fe N3 P -","- C15 H20 Fe N3 P -","- C120 H160 Fe8 N24 P8 -","8","2","","Marchenko, Anatolyi; Hurieva, Anastasiya; Koidan, Heorgii; Rampazzi, Vincent; Cattey, Hélène; Pirio, Nadine; Kostyuk, Aleksandr N.; Hierso, Jean-Cyrille","First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures","Organometallics","2012","31","17","5986","","10.1021/om300563n","","","0.71073","MoKα","","0.0252","0.0243","","","0.0585","0.059","","","","","","1.102","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079199","18.704","0.005","13.274","0.004","8.821","0.004","90","","90","","90","","2190.1","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H34 Fe Si3 -","- C20 H34 Fe Si3 -","- C80 H136 Fe4 Si12 -","4","1","","Braunschweig, Holger; Damme, Alexander; Hammond, Kai; Mager, Julian","Synthesis and Structure of New [3]Silametallocenophanes of Group 8 Metals","Organometallics","2012","31","17","6317","","10.1021/om300564y","","","0.71073","MoKα","","0.0169","0.0164","","","0.0435","0.0438","","","","","","1.083","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079200","23.6938","0.0018","9.3704","0.0007","7.3889","0.0005","90","","91.495","0.003","90","","1639.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 N6 O5 W -","- C14 N6 O5 W -","- C56 N24 O20 W4 -","4","1","","Bubrin, Martina; Krafft, Michael J.; Steudle, Lisa; Hübner, Ralph; Field, John S.; Záliš, Stanislav; Kaim, Wolfgang","Structural Reassessment of [W(CO)5(TCNE)]: N (σ) Coordination Instead of an Olefin (π) Complex","Organometallics","2012","31","17","6305","","10.1021/om300565q","","","0.71073","MoKα","","0.1168","0.0703","","","0.1515","0.1636","","","","","","1.252","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079201","32.15","0.003","12.362","0.0011","28.19","0.003","90","","92.489","0.002","90","","11193.2","1.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N2 Ni -","- C43 H52 N2 Ni -","- C516 H624 N24 Ni12 -","12","3","","Iglesias, Mar José; Blandez, Juan F.; Fructos, Manuel R.; Prieto, Auxiliadora; Álvarez, Eleuterio; Belderrain, Tom R.; Nicasio, M. Carmen","Synthesis, Structural Characterization, and Catalytic Activity of IPrNi(styrene)2in the Amination of Aryl Tosylates","Organometallics","2012","31","17","6312","","10.1021/om300566m","","","0.71073","MoKα","","0.1754","0.0597","","","0.1224","0.1667","","","","","","0.972","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079202","13.0765","0.0005","9.4012","0.0003","23.2484","0.0008","90","","96.641","0.001","90","","2838.86","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[N{(C3F7)C(2-F,6-(CF3)C6H3)N}2]Cu(C2H4)","","","- C24 H10 Cu F22 N3 -","- C24 H10 Cu F22 N3 -","- C96 H40 Cu4 F88 N12 -","4","1","","Adiraju, Venkata A.K.; Flores, Jaime A.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Copper(I) Ethylene Complexes Supported by 1,3,5-Triazapentadienyl Ligands with Electron-Withdrawing Groups","Organometallics","2012","31","22","7926","","10.1021/om300567v","","","0.71073","MoKα","","0.0266","0.0252","","","0.0663","0.0671","","","","","","1.056","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079203","7.532","0.0004","22.7008","0.0011","8.7206","0.0004","90","","105.393","0.001","90","","1437.58","0.12","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[N{(C3F7)C(2-(CF3)C6H3)N}2]Cu(C2H4)","","","- C24 H12 Cu F20 N3 -","- C24 H12 Cu F20 N3 -","- C48 H24 Cu2 F40 N6 -","2","0.5","","Adiraju, Venkata A.K.; Flores, Jaime A.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Copper(I) Ethylene Complexes Supported by 1,3,5-Triazapentadienyl Ligands with Electron-Withdrawing Groups","Organometallics","2012","31","22","7926","","10.1021/om300567v","","","0.71073","MoKα","","0.043","0.0418","","","0.1155","0.118","","","","","","1.051","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079204","15.569","0.002","12.2726","0.0017","16.054","0.002","90","","117.637","0.002","90","","2717.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[N{(C3F7)C(4-(NO2)C6H4)N}2]Cu(C2H4)","","","- C22 H12 Cu F14 N5 O4 -","- C22 H12 Cu F14 N5 O4 -","- C88 H48 Cu4 F56 N20 O16 -","4","1","","Adiraju, Venkata A.K.; Flores, Jaime A.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Copper(I) Ethylene Complexes Supported by 1,3,5-Triazapentadienyl Ligands with Electron-Withdrawing Groups","Organometallics","2012","31","22","7926","","10.1021/om300567v","","","0.71073","MoKα","","0.1216","0.0944","","","0.2583","0.2832","","","","","","1.088","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079205","12.31","0.002","5.8233","0.0009","36.666","0.006","90","","96.361","0.002","90","","2612.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[N{(C3F7)C(2-(NO2)C6H4)N}2]Cu(C2H4)","","","- C22 H12 Cu F14 N5 O4 -","- C22 H12 Cu F14 N5 O4 -","- C88 H48 Cu4 F56 N20 O16 -","4","1","","Adiraju, Venkata A.K.; Flores, Jaime A.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Copper(I) Ethylene Complexes Supported by 1,3,5-Triazapentadienyl Ligands with Electron-Withdrawing Groups","Organometallics","2012","31","22","7926","","10.1021/om300567v","","","0.71073","MoKα","","0.0749","0.0512","","","0.119","0.1308","","","","","","1.009","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079206","11.4598","0.0011","21.38","0.002","11.9051","0.0011","90","","93.8","0.001","90","","2910.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[N{(C3F7)C(4-NO2C6H4)N}2]Cu(CO)(NCCH3)","","","- C23 H11 Cu F14 N6 O5 -","- C23 H11 Cu F14 N6 O5 -","- C92 H44 Cu4 F56 N24 O20 -","4","1","","Adiraju, Venkata A.K.; Flores, Jaime A.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Copper(I) Ethylene Complexes Supported by 1,3,5-Triazapentadienyl Ligands with Electron-Withdrawing Groups","Organometallics","2012","31","22","7926","","10.1021/om300567v","","","0.71073","MoKα","","0.0739","0.0517","","","0.1325","0.147","","","","","","1.034","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079207","8.744","0.004","14.245","0.01","14.976","0.01","90","","93.3","0.04","90","","1862","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6a","3-ethoxy-2,2,5-triphenyl-2H-pyrrole","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego","Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes","Organometallics","2012","31","18","6572","","10.1021/om300570q","","","0.71073","MoKα","","0.0709","0.058","","","0.1499","0.1646","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079208","10.758","0.001","13.473","0.002","13.518","0.002","90","","102.87","0.01","90","","1910.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7a","3-ethoxy-1,5-diphenyl-3H-benzo[c]azepine","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego","Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes","Organometallics","2012","31","18","6572","","10.1021/om300570q","","","0.71073","MoKα","","0.1268","0.0538","","","0.1037","0.1305","","","","","","1.156","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079209","13.053","0.002","9.954","0.001","18.354","0.001","90","","129.286","0.01","90","","1845.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8a","5-ethoxy-2,2,3-triphenyl-2H-pyrrole","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego","Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes","Organometallics","2012","31","18","6572","","10.1021/om300570q","","","0.71073","MoKα","","0.1215","0.065","","","0.1452","0.1764","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079210","11.93","0.006","11.237","0.004","13.729","0.006","90","","91.24","0.02","90","","1840","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8b","5'-ethoxy-3'-phenylspiro[fluorene-9,2'-pyrrole]","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego","Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes","Organometallics","2012","31","18","6572","","10.1021/om300570q","","","0.71073","MoKα","","0.0871","0.0534","","","0.1216","0.1393","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079211","7.118","0.001","19.666","0.001","21.805","0.001","90","","90","","90","","3052.3","0.5","173","2","173","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","9c","2-ethoxy-4-phenyl-5H-indeno[1,2-b]pyridine","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego","Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes","Organometallics","2012","31","18","6572","","10.1021/om300570q","","","0.71073","MoKα","","0.0651","0.0424","","","0.0963","0.1073","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079212","13.161","0.005","16.167","0.005","17.75","0.005","90","0.005","99.998","0.005","90","0.005","3719","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H80 Mo2 P4 Si2 -","- C87 H80 Mo2 P4 Si2 -","- C174 H160 Mo4 P8 Si4 -","2","0.5","","Roberts, Hannah N.; Brown, Neil J.; Edge, Ruth; Fitzgerald, Emma C.; Ta, Yien T.; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Butadiynyl and Hexatriynyl Complexes [Mo{(C≡C)nC≡CR}(L2)(η-C7H7)]z+(n= 1, 2;z= 0, 1; R = SiMe3, H; L2= 2,2′-bipyridine, Ph2PCH2CH2PPh2)","Organometallics","2012","31","17","6322","","10.1021/om3005756","","","0.71073","MoKα","","0.0583","0.0329","","","0.0734","0.0786","","","","","","0.924","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079213","8.492","0.005","10.802","0.005","14.077","0.005","109.94","0.005","96.832","0.005","94.964","0.005","1194","1","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 Mo N2 Si -","- C26 H15 Mo N2 Si -","- C52 H30 Mo2 N4 Si2 -","2","1","","Roberts, Hannah N.; Brown, Neil J.; Edge, Ruth; Fitzgerald, Emma C.; Ta, Yien T.; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Butadiynyl and Hexatriynyl Complexes [Mo{(C≡C)nC≡CR}(L2)(η-C7H7)]z+(n= 1, 2;z= 0, 1; R = SiMe3, H; L2= 2,2′-bipyridine, Ph2PCH2CH2PPh2)","Organometallics","2012","31","17","6322","","10.1021/om3005756","","","0.71073","MoKα","","0.1013","0.0534","","","0.1008","0.1137","","","","","","0.91","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079214","12.271","0.005","18.489","0.005","16.679","0.005","90","0.005","100.584","0.005","90","0.005","3720","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H80 Cl2 Mo2 P4 Si2 -","- C85 H80 Cl2 Mo2 P4 Si2 -","- C170 H160 Cl4 Mo4 P8 Si4 -","2","0.5","","Roberts, Hannah N.; Brown, Neil J.; Edge, Ruth; Fitzgerald, Emma C.; Ta, Yien T.; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Butadiynyl and Hexatriynyl Complexes [Mo{(C≡C)nC≡CR}(L2)(η-C7H7)]z+(n= 1, 2;z= 0, 1; R = SiMe3, H; L2= 2,2′-bipyridine, Ph2PCH2CH2PPh2)","Organometallics","2012","31","17","6322","","10.1021/om3005756","","","0.71073","MoKα","","0.0615","0.0364","","","0.084","0.0895","","","","","","0.944","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079215","17.212","0.005","19.886","0.006","21.885","0.007","90","","90","","90","","7491","4","153","2","153","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C39 H54 Al N3 O S -","- C39 H54 Al N3 O S -","- C312 H432 Al8 N24 O8 S8 -","8","","","Yang, Zhi; Hao, Pengfei; Liu, Zhihong; Ma, Xiaoli; Roesky, Herbert W.; Sun, Kening; Li, Jiarong","Reactivity Studies of LAlH2(L = HC(CMeNAr)2, Ar = 2,6-iPr2C6H3) with 2-Aminobenzenethiol, 2-Aminophenol, and 1,4-Dithiane-2,5-diol","Organometallics","2012","31","17","6500","","10.1021/om300577j","","","0.71073","MoKα","","0.0856","0.0775","","","0.1849","0.1915","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4079216","11.899","0.003","38.987","0.008","17.675","0.004","90","","93.227","0.003","90","","8187","3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C89 H114 Al2 N8 O4 -","- C89 H114 Al2 N8 O4 -","- C356 H456 Al8 N32 O16 -","4","1","","Yang, Zhi; Hao, Pengfei; Liu, Zhihong; Ma, Xiaoli; Roesky, Herbert W.; Sun, Kening; Li, Jiarong","Reactivity Studies of LAlH2(L = HC(CMeNAr)2, Ar = 2,6-iPr2C6H3) with 2-Aminobenzenethiol, 2-Aminophenol, and 1,4-Dithiane-2,5-diol","Organometallics","2012","31","17","6500","","10.1021/om300577j","","","0.71073","MoKα","","0.1652","0.1128","","","0.2849","0.3097","","","","","","1.002","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4079217","13.737","0.002","16.871","0.003","28.096","0.005","90","","90","","90","","6511.4","1.9","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H47 Al N2 O2 S2 -","- C33 H47 Al N2 O2 S2 -","- C264 H376 Al8 N16 O16 S16 -","8","1","","Yang, Zhi; Hao, Pengfei; Liu, Zhihong; Ma, Xiaoli; Roesky, Herbert W.; Sun, Kening; Li, Jiarong","Reactivity Studies of LAlH2(L = HC(CMeNAr)2, Ar = 2,6-iPr2C6H3) with 2-Aminobenzenethiol, 2-Aminophenol, and 1,4-Dithiane-2,5-diol","Organometallics","2012","31","17","6500","","10.1021/om300577j","","","0.71073","MoKα","","0.07","0.064","","","0.1388","0.1422","","","","","","1.142","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079218","10.696","0.003","20.473","0.006","19.164","0.005","90","","97.3","0.004","90","","4163","2","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 Cl4 O3 P2 Re -","- C46 H41 Cl4 O3 P2 Re -","- C184 H164 Cl16 O12 P8 Re4 -","4","1","","Poon, Ka Chun; Shi, Chuan; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl2(OEt)(PPh3)2with Alkynols","Organometallics","2012","31","20","7085","","10.1021/om3005788","","","0.71073","MoKα","","0.0776","0.0418","","","0.0598","0.0645","","","","","","1.003","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079219","11.5153","0.0014","11.7918","0.0014","16.5896","0.0019","83.603","0.002","74.526","0.002","67.088","0.002","1999.6","0.4","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H39 Cl4 O2 P2 Re -","- C42 H39 Cl4 O2 P2 Re -","- C84 H78 Cl8 O4 P4 Re2 -","2","1","","Poon, Ka Chun; Shi, Chuan; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl2(OEt)(PPh3)2with Alkynols","Organometallics","2012","31","20","7085","","10.1021/om3005788","","","0.71073","MoKα","","0.0676","0.0492","","","0.0709","0.0752","","","","","","1.004","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079220","18.1396","0.0018","12.426","0.0012","16.6718","0.0017","90","","90","","90","","3757.9","0.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H37 Cl2 O2 P2 Re -","- C41 H37 Cl2 O2 P2 Re -","- C164 H148 Cl8 O8 P8 Re4 -","4","1","","Poon, Ka Chun; Shi, Chuan; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl2(OEt)(PPh3)2with Alkynols","Organometallics","2012","31","20","7085","","10.1021/om3005788","","","0.71073","MoKα","","0.0509","0.0373","","","0.0714","0.0758","","","","","","1.021","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079221","26.984","0.0003","16.4767","0.0002","19.9199","0.0003","90","","104.205","0.001","90","","8585.7","0.2","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H72 Cl8 O4 P4 Re2 -","- C82 H72 Cl8 O4 P4 Re2 -","- C328 H288 Cl32 O16 P16 Re8 -","4","0.5","","Poon, Ka Chun; Shi, Chuan; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl2(OEt)(PPh3)2with Alkynols","Organometallics","2012","31","20","7085","","10.1021/om3005788","","x-ray","1.54178","CuKα","","0.0922","0.0479","","","0.0952","0.1078","","","","","","1.025","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079222","9.0637","0.0003","14.3757","0.0005","18.2998","0.0006","70.427","0.003","82.255","0.003","80.04","0.003","2205.17","0.14","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H43 Cl6 O2 P2 Re -","- C44 H43 Cl6 O2 P2 Re -","- C88 H86 Cl12 O4 P4 Re2 -","2","1","","Poon, Ka Chun; Shi, Chuan; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl2(OEt)(PPh3)2with Alkynols","Organometallics","2012","31","20","7085","","10.1021/om3005788","","x-ray","1.5418","CuKα","","0.0534","0.0501","","","0.129","0.1311","","","","","","1.024","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079223","11.739","0.006","18.534","0.008","7.757","0.004","90","","109.235","0.012","90","","1593.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl2 Cr N2 -","- C17 H17 Cl2 Cr N2 -","- C68 H68 Cl8 Cr4 N8 -","4","1","","Sieb, David; Baker, Robert W.; Wadepohl, Hubert; Enders, Markus","Naphthyridine Cyclopentadienyl Chromium Complexes as Single-Site Catalysts for the Formation of Ultrahigh Molecular Weight Polyethylene","Organometallics","2012","31","21","7368","","10.1021/om300582j","","x-ray","0.71073","MoKα","","0.0553","0.0379","","","0.0921","0.1014","","","","","","1.062","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079224","18.718","0.008","9.487","0.004","22.399","0.011","90","","92.72","0.014","90","","3973","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 Cl4 Cr N2 -","- C18 H19 Cl4 Cr N2 -","- C144 H152 Cl32 Cr8 N16 -","8","1","","Sieb, David; Baker, Robert W.; Wadepohl, Hubert; Enders, Markus","Naphthyridine Cyclopentadienyl Chromium Complexes as Single-Site Catalysts for the Formation of Ultrahigh Molecular Weight Polyethylene","Organometallics","2012","31","21","7368","","10.1021/om300582j","","x-ray","0.71073","MoKα","","0.0459","0.035","","","0.0842","0.0924","","","","","","1.063","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079225","7.183","0.003","25.925","0.012","11.043","0.006","90","","93.674","0.012","90","","2052.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl2 Cr N2 -","- C24 H25 Cl2 Cr N2 -","- C96 H100 Cl8 Cr4 N8 -","4","1","","Sieb, David; Baker, Robert W.; Wadepohl, Hubert; Enders, Markus","Naphthyridine Cyclopentadienyl Chromium Complexes as Single-Site Catalysts for the Formation of Ultrahigh Molecular Weight Polyethylene","Organometallics","2012","31","21","7368","","10.1021/om300582j","","x-ray","0.71073","MoKα","","0.0622","0.0364","","","0.0835","0.0967","","","","","","1.036","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079226","10.6501","0.0004","35.731","0.0013","10.2532","0.0003","90","","107.285","0.003","90","","3725.5","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 P2 Ru -","- C46 H44 P2 Ru -","- C184 H176 P8 Ru4 -","4","1","","Gendron, Frédéric; Burgun, Alexandre; Skelton, Brian W.; White, Allan H.; Roisnel, Thierry; Bruce, Michael I.; Halet, Jean-François; Lapinte, Claude; Costuas, Karine","Iron and Ruthenium σ-Polyynyls of the General Formula [{M(dppe)Cp*}‒(C≡C)n‒R]0/+(M = Fe, Ru): An Experimental and Theoretical Investigation","Organometallics","2012","31","19","6796","","10.1021/om300584u","","","0.71073","MoKα","","0.0594","0.0371","","","0.0774","0.0813","","","","","","0.942","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079227","10.523","0.001","11.313","0.001","23.935","0.003","96.928","0.003","97.902","0.003","110.162","0.003","2605.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Au P3 Ru -","- C60 H54 Au P3 Ru -","- C120 H108 Au2 P6 Ru2 -","2","1","","Gendron, Frédéric; Burgun, Alexandre; Skelton, Brian W.; White, Allan H.; Roisnel, Thierry; Bruce, Michael I.; Halet, Jean-François; Lapinte, Claude; Costuas, Karine","Iron and Ruthenium σ-Polyynyls of the General Formula [{M(dppe)Cp*}‒(C≡C)n‒R]0/+(M = Fe, Ru): An Experimental and Theoretical Investigation","Organometallics","2012","31","19","6796","","10.1021/om300584u","","","0.71073","MoKα","","0.0741","0.0467","","","0.1176","0.1242","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079228","48.476","0.014","18.052","0.006","20.193","0.006","90","","102.174","0.005","90","","17273","9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H51.5 P2 Ru Si -","- C46.5 H51.5 P2 Ru Si -","- C744 H824 P32 Ru16 Si16 -","16","2","","Gendron, Frédéric; Burgun, Alexandre; Skelton, Brian W.; White, Allan H.; Roisnel, Thierry; Bruce, Michael I.; Halet, Jean-François; Lapinte, Claude; Costuas, Karine","Iron and Ruthenium σ-Polyynyls of the General Formula [{M(dppe)Cp*}‒(C≡C)n‒R]0/+(M = Fe, Ru): An Experimental and Theoretical Investigation","Organometallics","2012","31","19","6796","","10.1021/om300584u","","","0.71073","MoKα","","0.099","0.0603","","","0.138","0.1567","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079229","47.893","0.003","17.882","0.002","20.313","0.001","90","","102.66","0.01","90","","16974","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Fe P2 Si -","- C45 H48 Fe P2 Si -","- C720 H768 Fe16 P32 Si16 -","16","2","","Gendron, Frédéric; Burgun, Alexandre; Skelton, Brian W.; White, Allan H.; Roisnel, Thierry; Bruce, Michael I.; Halet, Jean-François; Lapinte, Claude; Costuas, Karine","Iron and Ruthenium σ-Polyynyls of the General Formula [{M(dppe)Cp*}‒(C≡C)n‒R]0/+(M = Fe, Ru): An Experimental and Theoretical Investigation","Organometallics","2012","31","19","6796","","10.1021/om300584u","","","1.54178","CuKα","","0.1386","0.0615","","","0.1399","0.1741","","","","","","0.945","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079230","12.6624","0.0005","14.5461","0.0006","16.485","0.0007","93.418","0.004","102.305","0.004","99.647","0.004","2910.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.98 H59.96 Au Cl5.96 Fe P3 -","- C60.979 H59.958 Au Cl5.958 Fe P3 -","- C121.958 H119.916 Au2 Cl11.916 Fe2 P6 -","2","1","","Gendron, Frédéric; Burgun, Alexandre; Skelton, Brian W.; White, Allan H.; Roisnel, Thierry; Bruce, Michael I.; Halet, Jean-François; Lapinte, Claude; Costuas, Karine","Iron and Ruthenium σ-Polyynyls of the General Formula [{M(dppe)Cp*}‒(C≡C)n‒R]0/+(M = Fe, Ru): An Experimental and Theoretical Investigation","Organometallics","2012","31","19","6796","","10.1021/om300584u","","","0.71073","MoKα","","0.0718","0.0474","","","0.102","0.1054","","","","","","0.977","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079231","10.605","0.0003","35.298","0.0011","10.3375","0.0004","90","","107.578","0.001","90","","3689","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Fe P2 -","- C46 H44 Fe P2 -","- C184 H176 Fe4 P8 -","4","1","","Gendron, Frédéric; Burgun, Alexandre; Skelton, Brian W.; White, Allan H.; Roisnel, Thierry; Bruce, Michael I.; Halet, Jean-François; Lapinte, Claude; Costuas, Karine","Iron and Ruthenium σ-Polyynyls of the General Formula [{M(dppe)Cp*}‒(C≡C)n‒R]0/+(M = Fe, Ru): An Experimental and Theoretical Investigation","Organometallics","2012","31","19","6796","","10.1021/om300584u","","x-ray","0.71073","MoKα","","0.0334","0.0293","","","0.0721","0.0744","","","","","","1.046","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079232","17.1033","0.0015","7.55022","0.00017","24.464","0.002","90","","138.854","0.017","90","","2078.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Br N2 O3 Pd -","- C20 H27 Br N2 O3 Pd -","- C80 H108 Br4 N8 O12 Pd4 -","4","1","","García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate","Organometallics","2012","31","17","6351","","10.1021/om300593x","","","0.71073","MoKα","","0.0571","0.0399","","","0.0724","0.0797","","","","","","1.04","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079233","8.7385","0.0009","11.4473","0.0012","15.1957","0.0016","90","","90","","90","","1520.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate","Organometallics","2012","31","17","6351","","10.1021/om300593x","","","0.71073","MoKα","","0.0492","0.0466","","","0.1197","0.1214","","","","","","1.142","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079234","16.1586","0.0008","8.8804","0.0004","20.4565","0.0011","90","","90","","90","","2935.4","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate","Organometallics","2012","31","17","6351","","10.1021/om300593x","","","0.71073","MoKα","","0.0455","0.0432","","","0.1054","0.1068","","","","","","1.042","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079235","7.0248","0.0009","14.0118","0.0018","13.121","0.0017","90","","90.498","0.002","90","","1291.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate","Organometallics","2012","31","17","6351","","10.1021/om300593x","","","0.71073","MoKα","","0.0658","0.0519","","","0.1144","0.1215","","","","","","1.062","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079236","8.3839","0.0003","9.2671","0.0004","37.1174","0.0015","90","","90","","90","","2883.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C112 H176 Cl8 N8 O8 -","8","1","","García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate","Organometallics","2012","31","17","6351","","10.1021/om300593x","","","0.71073","MoKα","","0.0536","0.0461","","","0.1072","0.1117","","","","","","1.121","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079237","7.7944","0.0002","9.9168","0.0003","19.1033","0.0005","90","","95.0725","0.0003","90","","1470.82","0.07","283","2","283","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Au Cl3 N2 -","- C12 H12 Au Cl3 N2 -","- C48 H48 Au4 Cl12 N8 -","4","1","","Shaw, Anthony P.; Ghosh, Manik Kumer; Törnroos, Karl W.; Wragg, David S.; Tilset, Mats; Swang, Ole; Heyn, Richard H.; Jakobsen, Søren","Rock ‘n’ Roll With Gold: Synthesis, Structure, and Dynamics of a (bipyridine)AuCl3Complex","Organometallics","2012","31","20","7093","","10.1021/om300594c","","","0.71073","MoKα","","0.0192","0.0176","","","0.046","0.0469","","","","","","1.055","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079238","11.8067","0.0011","10.9333","0.001","12.8322","0.0012","90","","101.971","0.001","90","","1620.4","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Au Cl3 N2 -","- C14 H16 Au Cl3 N2 -","- C56 H64 Au4 Cl12 N8 -","4","1","","Shaw, Anthony P.; Ghosh, Manik Kumer; Törnroos, Karl W.; Wragg, David S.; Tilset, Mats; Swang, Ole; Heyn, Richard H.; Jakobsen, Søren","Rock ‘n’ Roll With Gold: Synthesis, Structure, and Dynamics of a (bipyridine)AuCl3Complex","Organometallics","2012","31","20","7093","","10.1021/om300594c","","","0.71073","MoKα","","0.0148","0.0143","","","0.0373","0.0377","","","","","","1.114","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079239","12.8112","0.0004","20.0725","0.001","19.3187","0.0007","90","","108.278","0.002","90","","4717.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 F6 P4 Ru -","- C48 H48 F6 P4 Ru -","- C192 H192 F24 P16 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Flexible Syntheses of Tripodal Phosphine Ligands 1,1,2-Tris(diarylphosphino)ethane and Their Ruthenium η5-C5Me5Complexes","Organometallics","2012","31","18","6589","","10.1021/om3005959","","","0.71073","MoKα","","0.152","0.0687","","","0.1625","0.1983","","","","","","0.949","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079240","16.533","0.002","20.395","0.002","16.872","0.002","90","","92.901","0.003","90","","5681.8","1.1","150","2","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H64 Cl4 F6 P4 Ru -","- C56 H64 Cl4 F6 P4 Ru -","- C224 H256 Cl16 F24 P16 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Flexible Syntheses of Tripodal Phosphine Ligands 1,1,2-Tris(diarylphosphino)ethane and Their Ruthenium η5-C5Me5Complexes","Organometallics","2012","31","18","6589","","10.1021/om3005959","","","0.71073","MoKα","","0.0482","0.0344","","","0.0788","0.0867","","","","","","1.02","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079241","23.246","0.003","11.5646","0.0014","39.062","0.005","90","","105.917","0.002","90","","10098","2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H61 Cl F6 P4 Ru -","- C54.5 H61 Cl F6 P4 Ru -","- C436 H488 Cl8 F48 P32 Ru8 -","8","2","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Flexible Syntheses of Tripodal Phosphine Ligands 1,1,2-Tris(diarylphosphino)ethane and Their Ruthenium η5-C5Me5Complexes","Organometallics","2012","31","18","6589","","10.1021/om3005959","","","0.71073","MoKα","","0.0746","0.0483","","","0.1171","0.1256","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079242","18.656","0.002","17.8341","0.0019","16.6525","0.0017","90","","93.02","0.002","90","","5532.8","1","147","2","147","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H72 F6 P4 Ru -","- C60 H72 F6 P4 Ru -","- C240 H288 F24 P16 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Flexible Syntheses of Tripodal Phosphine Ligands 1,1,2-Tris(diarylphosphino)ethane and Their Ruthenium η5-C5Me5Complexes","Organometallics","2012","31","18","6589","","10.1021/om3005959","","","0.71073","MoKα","","0.0335","0.0296","","","0.0629","0.0651","","","","","","1.024","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079243","8.2565","0.0002","23.3232","0.0006","9.7291","0.0002","90","","90","","90","","1873.51","0.08","115","","115","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H20 Fe2 S -","- C24 H20 Fe2 S -","- C96 H80 Fe8 S4 -","4","0.5","","Speck, J. Matthäus; Claus, Ron; Hildebrandt, Alexander; Rüffer, Tobias; Erasmus, Elizabeth; van As, Lydia; Swarts, Jannie C.; Lang, Heinrich","Electron Transfer Studies on Ferrocenylthiophenes: Synthesis, Properties, and Electrochemistry","Organometallics","2012","31","17","6373","","10.1021/om3006036","","","0.71073","MoKα","","0.0347","0.0284","","","0.0652","0.068","","","","","","1.044","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079244","10.1477","0.0009","11.1863","0.0009","16.6034","0.001","93.754","0.006","95.108","0.006","112.78","0.008","1720.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H41 B Fe O4 Ru2 -","- C38 H41 B Fe O4 Ru2 -","- C76 H82 B2 Fe2 O8 Ru4 -","2","1","","Geetharani, K.; Ramkumar, V.; Ghosh, Sundargopal","Synthesis and Characterization of Novel Ruthenaferracarboranes from Photoinsertion of Alkynes into a Ruthenaferraborane","Organometallics","2012","31","17","6381","","10.1021/om300607u","","","0.71073","MoKα","","0.1214","0.1045","","","0.2502","0.2715","","","","","","1.04","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079245","10.0672","0.0003","17.0051","0.0004","20.5756","0.0005","90","","97.353","0.001","90","","3493.45","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 B2 Fe2 O6 Ru2 -","- C35 H39 B2 Fe2 O6 Ru2 -","- C140 H156 B8 Fe8 O24 Ru8 -","4","1","","Geetharani, K.; Ramkumar, V.; Ghosh, Sundargopal","Synthesis and Characterization of Novel Ruthenaferracarboranes from Photoinsertion of Alkynes into a Ruthenaferraborane","Organometallics","2012","31","17","6381","","10.1021/om300607u","","","0.71073","MoKα","","0.0317","0.0255","","","0.0618","0.0659","","","","","","1.065","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079246","9.7112","0.0005","18.7378","0.0008","17.9279","0.0007","90","","105.515","0.002","90","","3143.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 B2 Fe2 O6 Ru2 -","- C30 H37 B2 Fe2 O6 Ru2 -","- C120 H148 B8 Fe8 O24 Ru8 -","4","1","","Geetharani, K.; Ramkumar, V.; Ghosh, Sundargopal","Synthesis and Characterization of Novel Ruthenaferracarboranes from Photoinsertion of Alkynes into a Ruthenaferraborane","Organometallics","2012","31","17","6381","","10.1021/om300607u","","","0.71073","MoKα","","0.0545","0.0391","","","0.1142","0.1271","","","","","","0.878","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079247","12.4637","0.0003","15.0424","0.0003","22.1121","0.0004","90","","93.363","0.001","90","","4138.52","0.15","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 B2 Fe2 O5 P Ru2 -","- C45 H47 B2 Fe2 O5 P Ru2 -","- C180 H188 B8 Fe8 O20 P4 Ru8 -","4","1","","Geetharani, K.; Ramkumar, V.; Ghosh, Sundargopal","Synthesis and Characterization of Novel Ruthenaferracarboranes from Photoinsertion of Alkynes into a Ruthenaferraborane","Organometallics","2012","31","17","6381","","10.1021/om300607u","","","0.71073","MoKα","","0.0915","0.0413","","","0.1048","0.1383","","","","","","0.785","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079248","9.3422","0.0005","9.4522","0.0005","10.264","0.0005","66.577","0.002","68.908","0.002","64.231","0.002","729.52","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex_5.HBr","","","- C18 H26 Ag2 Br4 N8 S2 -","- C18 H26 Ag2 Br4 N8 S2 -","- C18 H26 Ag2 Br4 N8 S2 -","1","0.5","","Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands","Organometallics","2012","31","18","6595","","10.1021/om300615e","","","0.71073","MoKα","","0.0193","0.0173","","","0.0399","0.0409","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079249","12.4284","0.0007","11.4574","0.0006","15.0842","0.0008","90","","107.529","0.002","90","","2048.21","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex_6","","","- C42 H40 Ag2 Br2 N8 S2 -","- C42 H40 Ag2 Br2 N8 S2 -","- C84 H80 Ag4 Br4 N16 S4 -","2","0.5","","Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands","Organometallics","2012","31","18","6595","","10.1021/om300615e","","","0.71073","MoKα","","0.0405","0.0305","","","0.071","0.0761","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079250","8.2063","0.0007","35.516","0.003","37.039","0.003","90","","90","","90","","10795.2","1.6","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","Complex_9","","","- C18 H24 Br2 N8 Pd S2 -","- C18 H24 Br2 N8 Pd S2 -","- C288 H384 Br32 N128 Pd16 S32 -","16","0.5","","Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands","Organometallics","2012","31","18","6595","","10.1021/om300615e","","","0.71073","MoKα","","0.0795","0.0602","","","0.1141","0.1192","","","","","","1.136","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079251","13.0646","0.0011","26.493","0.002","14.1483","0.0012","90","","109.983","0.001","90","","4602.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex_12","","","- C46 H46 Br2 N10 Pd S2 -","- C46 H46 Br2 N10 Pd S2 -","- C184 H184 Br8 N40 Pd4 S8 -","4","1","","Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands","Organometallics","2012","31","18","6595","","10.1021/om300615e","","","0.71073","MoKα","","0.0367","0.0296","","","0.072","0.0753","","","","","","1.04","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079252","20.408","0.003","10.2059","0.0012","18.247","0.002","90","","107.452","0.004","90","","3625.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Complex_15","","","- C11 H15 Br2 N5 Pd S -","- C11 H15 Br2 N5 Pd S -","- C88 H120 Br16 N40 Pd8 S8 -","8","1","","Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands","Organometallics","2012","31","18","6595","","10.1021/om300615e","","","1.54178","CuKα","","0.0346","0.0312","","","0.0828","0.0853","","","","","","1.055","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079253","8.6869","0.0004","25.5179","0.0013","10.3296","0.0005","90","","96.97","0.002","90","","2272.86","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 N4 Pd S -","- C21 H20 Br2 N4 Pd S -","- C84 H80 Br8 N16 Pd4 S4 -","4","1","","Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands","Organometallics","2012","31","18","6595","","10.1021/om300615e","","","0.71073","MoKα","","0.0367","0.0257","","","0.0514","0.0544","","","","","","1.034","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079254","35.5377","0.0014","13.3056","0.0005","16.5435","0.0006","90","","105.493","0.002","90","","7538.4","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Complex_17","","","- C37 H39 Br2 N5 P2 Pd S -","- C37 H39 Br2 N5 P2 Pd S -","- C296 H312 Br16 N40 P16 Pd8 S8 -","8","1","","Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands","Organometallics","2012","31","18","6595","","10.1021/om300615e","","","0.71073","MoKα","","0.0956","0.0549","","","0.1029","0.1165","","","","","","1.028","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079255","10.8354","0.0001","17.0901","0.0002","22.6158","0.0003","90","","99.121","0.001","90","","4135","0.08","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Complex_20","","","- C38.65 H41.97 Br0.68 N4 O2.65 P2 Pd S -","- C38.6474 H41.9711 Br0.6763 N4 O2.6474 P2 Pd S -","- C154.59 H167.884 Br2.7052 N16 O10.5896 P8 Pd4 S4 -","4","1","","Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands","Organometallics","2012","31","18","6595","","10.1021/om300615e","","","0.71073","MoKα","","0.0336","0.0291","","","0.0693","0.0712","","","","","","1.044","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079256","7.271","0.003","17.379","0.008","30.265","0.013","90","","95.533","0.008","90","","3807","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O9 Pt -","- C12 H18 N2 O9 Pt -","- C96 H144 N16 O72 Pt8 -","8","2","","Pellarin, Kyle R.; McCready, Matthew S.; Puddephatt, Richard J.","Oxidation of Dimethylplatinum(II) Complexes with a Dioxirane: The Viability of Oxoplatinum(IV) Intermediates","Organometallics","2012","31","17","6388","","10.1021/om300616x","","","0.71073","MoKα","","0.0647","0.0429","","","0.0825","0.0896","","","","","","1.024","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079257","20.922","0.007","15.856","0.004","16.935","0.006","90","","101.106","0.008","90","","5513","3","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 B Cu F4 N4 O2 -","- C56 H76 B Cu F4 N4 O2 -","- C224 H304 B4 Cu4 F16 N16 O8 -","4","0.5","","Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes","Organometallics","2012","31","22","7969","","10.1021/om3006195","","","0.71073","MoKα","","0.0945","0.0621","","","0.1766","0.2125","","","","","","0.807","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079258","11.102","0.002","20.559","0.004","21.897","0.004","90","","97.252","0.006","90","","4957.9","1.6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H70 B Cu F4 N4 O -","- C52 H70 B Cu F4 N4 O -","- C208 H280 B4 Cu4 F16 N16 O4 -","4","1","","Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes","Organometallics","2012","31","22","7969","","10.1021/om3006195","","","0.71073","MoKα","","0.1281","0.0724","","","0.1896","0.2389","","","","","","1.061","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079259","20.475","0.005","15.838","0.004","13.143","0.003","90","","90","","90","","4262.1","1.8","93","2","93","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C42 H60 B Cu F4 N4 -","- C42 H60 B Cu F4 N4 -","- C168 H240 B4 Cu4 F16 N16 -","4","0.25","","Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes","Organometallics","2012","31","22","7969","","10.1021/om3006195","","","0.71073","MoKα","","0.0679","0.0557","","","0.1495","0.1616","","","","","","0.793","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079260","23.477","0.004","14.538","0.003","22.655","0.005","90","","90","","90","","7732","3","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H56 B Cu F4 N4 -","- C38 H56 B Cu F4 N4 -","- C304 H448 B8 Cu8 F32 N32 -","8","2","","Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes","Organometallics","2012","31","22","7969","","10.1021/om3006195","","","0.71073","MoKα","","0.1108","0.0633","","","0.1146","0.1324","","","","","","0.991","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079261","24.371","0.004","25.234","0.004","31.185","0.005","90","","90","","90","","19178","5","93","2","93","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C50 H66 B Cu F4 N4 -","- C50 H66 B Cu F4 N4 -","- C800 H1056 B16 Cu16 F64 N64 -","16","0.5","","Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes","Organometallics","2012","31","22","7969","","10.1021/om3006195","","","0.71073","MoKα","","0.1212","0.0813","","","0.2426","0.2803","","","","","","1.038","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079262","20.654","0.005","21.449","0.004","20.277","0.005","90","","114.94","0.006","90","","8145","3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 B Cu F4 N2 P -","- C39 H63 B Cu F4 N2 P -","- C312 H504 B8 Cu8 F32 N16 P8 -","8","2","","Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes","Organometallics","2012","31","22","7969","","10.1021/om3006195","","","0.71073","MoKα","","0.1262","0.0933","","","0.264","0.2975","","","","","","1.003","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079263","12.4343","0.0003","28.1257","0.0005","15.6486","0.0003","90","","101.69","0.002","90","","5359.17","0.19","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H55 Cl4 N O8 P2 Ru -","- C55 H55 Cl4 N O8 P2 Ru -","- C220 H220 Cl16 N4 O32 P8 Ru4 -","4","1","","Xiang, Jing; Lo, Larry Tso-Lun; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Lau, Tai-Chu","Synthesis, Structures, and Photophysical Properties of Ruthenium(II) Quinolinolato Complexes","Organometallics","2012","31","20","7101","","10.1021/om300621x","","","1.54184","CUKα","","0.0529","0.0482","","","0.1364","0.1386","","","","","","1.119","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079264","9.2381","0.0003","12.5884","0.0004","17.4284","0.0005","82.761","0.002","86.015","0.003","74.412","0.003","1935.34","0.11","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H41 N O2 P2 Ru -","- C48 H41 N O2 P2 Ru -","- C96 H82 N2 O4 P4 Ru2 -","2","1","","Xiang, Jing; Lo, Larry Tso-Lun; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Lau, Tai-Chu","Synthesis, Structures, and Photophysical Properties of Ruthenium(II) Quinolinolato Complexes","Organometallics","2012","31","20","7101","","10.1021/om300621x","","","1.5418","CuKα","","0.0381","0.0337","","","0.1172","0.1181","","","","","","1.227","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079265","12.5278","0.0005","13.1009","0.0005","16.4148","0.0005","101.879","0.003","92.797","0.003","111","0.003","2439.03","0.17","133","2","133","","","","","","","","","7","P -1","-P 1","2","","","","- C55.25 H45.5 Cl0.5 N3 O3 P2 Ru -","- C55.25 H43 Cl0.5 N3 O3 P2 Ru -","- C110.5 H86 Cl N6 O6 P4 Ru2 -","2","1","","Xiang, Jing; Lo, Larry Tso-Lun; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Lau, Tai-Chu","Synthesis, Structures, and Photophysical Properties of Ruthenium(II) Quinolinolato Complexes","Organometallics","2012","31","20","7101","","10.1021/om300621x","","","1.5418","CuKα","","0.038","0.036","","","0.1071","0.108","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079266","12.4298","0.0003","24.7828","0.0006","13.3653","0.0003","90","","94.183","0.002","90","","4106.15","0.17","133","2","133","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 F6 N3 O2 P2 Ru -","- C43 H45 F6 N3 O2 P2 Ru -","- C172 H180 F24 N12 O8 P8 Ru4 -","4","1","","Xiang, Jing; Lo, Larry Tso-Lun; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Lau, Tai-Chu","Synthesis, Structures, and Photophysical Properties of Ruthenium(II) Quinolinolato Complexes","Organometallics","2012","31","20","7101","","10.1021/om300621x","","","1.5418","CuKα","","0.0428","0.0395","","","0.0972","0.0989","","","","","","1.03","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079267","9.884","0.0006","12.5542","0.0007","18.2476","0.001","94.033","0.001","90.052","0.001","100.017","0.001","2224","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 Cl2 I O2 P2 Rh2 S2 -","- C46 H45 Cl2 I O2 P2 Rh2 S2 -","- C92 H90 Cl4 I2 O4 P4 Rh4 S4 -","2","1","","Nguyen, Duc Hanh; Modrego, F. Javier; Cetina-Casas, J. Miguel; Gómez-Bautista, Daniel; Jiménez, M. Victoria; Castarlenas, Ricardo; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.","Steric Effects in the Oxidative Addition of MeI to a Sulfido-Bridged ZrRh2Early‒Late Heterobimetallic Compound","Organometallics","2012","31","17","6395","","10.1021/om300629k","","","0.71073","MoKα","","0.0496","0.0376","","","0.0873","0.0924","","","","","","1.032","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079268","21.766","0.0019","10.8346","0.0009","23.806","0.002","90","","150.061","0.001","90","","2801.9","0.4","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C55 H50 Cl6 I2 O P2 Rh2 S2 -","- C55 H50 Cl6 I2 O P2 Rh2 S2 -","- C110 H100 Cl12 I4 O2 P4 Rh4 S4 -","2","0.5","","Nguyen, Duc Hanh; Modrego, F. Javier; Cetina-Casas, J. Miguel; Gómez-Bautista, Daniel; Jiménez, M. Victoria; Castarlenas, Ricardo; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.","Steric Effects in the Oxidative Addition of MeI to a Sulfido-Bridged ZrRh2Early‒Late Heterobimetallic Compound","Organometallics","2012","31","17","6395","","10.1021/om300629k","","","0.71073","MoKα","","0.0772","0.0504","","","0.1134","0.1238","","","","","","1.027","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079269","12.0753","0.0008","15.6227","0.001","19.1582","0.0012","69.1874","0.0041","85.5499","0.0041","87.088","0.004","3367.1","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H31 Cl Fe O4 P2 -","- C40.499 H30.998 Cl0.998 Fe O4 P2 -","- C161.996 H123.992 Cl3.992 Fe4 O16 P8 -","4","2","","Lei, Hao; Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle","C2-Symmetric Iron(II) Diphosphine‒Dialkoxide Dicarbonyl and Related Complexes","Organometallics","2012","31","17","6408","","10.1021/om300631a","","","0.71073","MoKα","","0.0864","0.0462","","","0.0887","0.1017","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079270","13.145","0.0008","12.2586","0.0008","20.1642","0.0013","90","","100.996","0.005","90","","3189.6","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 Fe O3 P2 -","- C39 H30 Fe O3 P2 -","- C156 H120 Fe4 O12 P8 -","4","1","","Lei, Hao; Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle","C2-Symmetric Iron(II) Diphosphine‒Dialkoxide Dicarbonyl and Related Complexes","Organometallics","2012","31","17","6408","","10.1021/om300631a","","","1.54178","CuKα","","0.0693","0.0472","","","0.1144","0.1254","","","","","","1.019","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079271","16.6352","0.0007","12.8715","0.0005","17.8274","0.0008","90","","93.907","0.002","90","","3808.3","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Cl Fe N O3 P2 -","- C46 H34 Cl Fe N O3 P2 -","- C184 H136 Cl4 Fe4 N4 O12 P8 -","4","1","","Lei, Hao; Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle","C2-Symmetric Iron(II) Diphosphine‒Dialkoxide Dicarbonyl and Related Complexes","Organometallics","2012","31","17","6408","","10.1021/om300631a","","","1.54178","CuKα","","0.0384","0.0342","","","0.0859","0.0885","","","","","","1.028","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079272","11.9085","0.0008","12.9178","0.0009","15.5436","0.001","67.817","0.003","76.915","0.004","83.142","0.004","2155.1","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H28 B2 Cl4 D6 F6 Fe O4 P2 -","- C42 H34 B2 Cl4 F6 Fe O4 P2 -","- C84 H68 B4 Cl8 F12 Fe2 O8 P4 -","2","1","","Lei, Hao; Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle","C2-Symmetric Iron(II) Diphosphine‒Dialkoxide Dicarbonyl and Related Complexes","Organometallics","2012","31","17","6408","","10.1021/om300631a","","","0.71073","MoKα","","0.0704","0.0573","","","0.1561","0.1669","","","","","","1.07","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079273","7.9701","0.0016","13.576","0.003","13.316","0.003","90","","96.49","0.008","90","","1431.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O4 Pd S3 -","- C10 H18 O4 Pd S3 -","- C40 H72 O16 Pd4 S12 -","4","1","","Lee, John P.; Keller, C. Luke; Werlein, Ashley A.; Janzen, Daron E.; VanDerveer, Donald G.; Grant, Gregory J.","C‒H Bond Activation by a Palladium(II) Thioether Complex: Formation of the Bis(nitromethanate) Complex [Pd(9S3)(CH2NO2)2]","Organometallics","2012","31","18","6505","","10.1021/om3006382","","","0.71073","MoKα","","0.1316","0.0853","","","0.199","0.2519","","","","","","1.056","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079274","7.8595","0.0016","9.904","0.002","18.205","0.004","90","","95.96","0.03","90","","1409.4","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 N2 O4 Pd S3 -","- C8 H16 N2 O4 Pd S3 -","- C32 H64 N8 O16 Pd4 S12 -","4","1","","Lee, John P.; Keller, C. Luke; Werlein, Ashley A.; Janzen, Daron E.; VanDerveer, Donald G.; Grant, Gregory J.","C‒H Bond Activation by a Palladium(II) Thioether Complex: Formation of the Bis(nitromethanate) Complex [Pd(9S3)(CH2NO2)2]","Organometallics","2012","31","18","6505","","10.1021/om3006382","","","0.71073","MoKα","","0.0478","0.0405","","","0.0779","0.0804","","","","","","1.167","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079275","18.996","0.005","19.838","0.006","18.726","0.004","90","","29.008","0.007","90","","3422","1.7","113.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 P Rh -","- C45 H38 P Rh -","- C180 H152 P4 Rh4 -","4","1","","Kumazawa, Shohei; Rodriguez Castanon, Jesus; Onishi, Naoya; Kuwata, Keiko; Shiotsuki, Masashi; Sanda, Fumio","Characterization of the Polymerization Catalyst [(2,5-norbornadiene)Rh{C(Ph)═CPh2}(PPh3)] and Identification of the End Structures of Poly(phenylacetylenes) Obtained by Polymerization Using This Catalyst","Organometallics","2012","31","19","6834","","10.1021/om300642b","","","0.71075","MoKα","","","0.0662","","","","0.067","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079276","10.861","0.0015","12.0263","0.0019","36.135","0.003","90","","92.301","0.001","90","","4716.1","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Cl F18 N13 P3 Ru2 -","- C32 H33 Cl F18 N13 P3 Ru2 -","- C128 H132 Cl4 F72 N52 P12 Ru8 -","4","1","","Liu, Xiaolong; Chen, Wanzhi","Pyridazine-Based N-Heterocyclic Carbene Complexes and Ruthenium-Catalyzed Oxidation Reaction of Alkenes","Organometallics","2012","31","18","6614","","10.1021/om300644h","","","0.71073","MoKα","","0.1047","0.0543","","","0.106","0.1331","","","","","","1.065","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079277","20.2458","0.0019","20.2458","0.0019","20.2458","0.0019","90","","90","","90","","8298.6","1.3","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C66 H54 Cu3 F18 N24 O3 P3 -","- C66 H54 Cu3 F18 N24 O3 P3 -","- C264 H216 Cu12 F72 N96 O12 P12 -","4","0.333333","","Liu, Xiaolong; Chen, Wanzhi","Pyridazine-Based N-Heterocyclic Carbene Complexes and Ruthenium-Catalyzed Oxidation Reaction of Alkenes","Organometallics","2012","31","18","6614","","10.1021/om300644h","","","0.71073","MoKα","","0.092","0.066","","","0.168","0.1823","","","","","","0.922","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079278","14.4781","0.0008","15.6757","0.0008","15.4845","0.0008","90","","90","","90","","3514.3","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H28 F12 N8 P2 Pd2 -","- C28 H28 F12 N8 P2 Pd2 -","- C112 H112 F48 N32 P8 Pd8 -","4","0.5","","Liu, Xiaolong; Chen, Wanzhi","Pyridazine-Based N-Heterocyclic Carbene Complexes and Ruthenium-Catalyzed Oxidation Reaction of Alkenes","Organometallics","2012","31","18","6614","","10.1021/om300644h","","","0.71073","MoKα","","0.0945","0.0734","","","0.2021","0.2233","","","","","","1.11","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079279","8.9307","0.0002","14.168","0.0003","14.3697","0.0003","90","","100.477","0.002","90","","1787.89","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 F12 N8 P2 Pd2 -","- C28 H34 F12 N8 P2 Pd2 -","- C56 H68 F24 N16 P4 Pd4 -","2","0.5","","Liu, Xiaolong; Chen, Wanzhi","Pyridazine-Based N-Heterocyclic Carbene Complexes and Ruthenium-Catalyzed Oxidation Reaction of Alkenes","Organometallics","2012","31","18","6614","","10.1021/om300644h","","","0.71073","MoKα","","0.0447","0.0382","","","0.1005","0.1064","","","","","","1.043","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079280","20.0236","0.0009","13.0568","0.0006","15.1251","0.001","90","","97.998","0.005","90","","3915.9","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 F12 N11 Ni O2 P2 -","- C30 H29 F12 N11 Ni O2 P2 -","- C120 H116 F48 N44 Ni4 O8 P8 -","4","1","","Liu, Xiaolong; Chen, Wanzhi","Pyridazine-Based N-Heterocyclic Carbene Complexes and Ruthenium-Catalyzed Oxidation Reaction of Alkenes","Organometallics","2012","31","18","6614","","10.1021/om300644h","","","0.71073","MoKα","","0.0899","0.0658","","","0.1806","0.2032","","","","","","1.037","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079281","9.2685","0.0016","9.6887","0.0017","14.218","0.003","109.083","0.002","100.883","0.003","97.698","0.002","1158.3","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","LG-65-B","","","- C22 H22 Cl Mn N4 O6 -","- C22 H22 Cl Mn N4 O6 -","- C44 H44 Cl2 Mn2 N8 O12 -","2","1","","Ruiz, Javier; Garc\?ía, Lucía; Mejuto, Carmen; Perandones, Bernabé F.; Vivanco, Marilín","Divergent Reactivity of Mixed-Ligand Manganese(I) Carbonyl‒Isocyanide Complexes toward Primary Amines","Organometallics","2012","31","17","6420","","10.1021/om3006454","","x-ray","0.71073","MoKα","","0.0684","0.0461","","","0.1106","0.1217","","","","","","1.021","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079282","8.6205","0.0008","10.2963","0.0013","14.1706","0.0015","85.667","0.005","81.03","0.004","65.265","0.003","1128.3","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H20 Cl Mn N4 O7 -","- C23 H20 Cl Mn N4 O7 -","- C46 H40 Cl2 Mn2 N8 O14 -","2","1","","Ruiz, Javier; Garc\?ía, Lucía; Mejuto, Carmen; Perandones, Bernabé F.; Vivanco, Marilín","Divergent Reactivity of Mixed-Ligand Manganese(I) Carbonyl‒Isocyanide Complexes toward Primary Amines","Organometallics","2012","31","17","6420","","10.1021/om3006454","","x-ray","0.7107","MoKα","","0.0502","0.0376","","","0.0929","0.1003","","","","","","1.063","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079283","12.5473","0.0011","12.5952","0.001","15.1387","0.0014","90","","113.91","0.004","90","","2187.1","0.3","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/m 1","-P 2yb","11","","","","- C19 H18 F3 Mn N4 O6 S -","- C19 H18 F3 Mn N4 O6 S -","- C76 H72 F12 Mn4 N16 O24 S4 -","4","1","","Ruiz, Javier; Garc\?ía, Lucía; Mejuto, Carmen; Perandones, Bernabé F.; Vivanco, Marilín","Divergent Reactivity of Mixed-Ligand Manganese(I) Carbonyl‒Isocyanide Complexes toward Primary Amines","Organometallics","2012","31","17","6420","","10.1021/om3006454","","x-ray","0.7107","MoKα","","0.094","0.0709","","","0.1288","0.1384","","","","","","1.066","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079284","8.2585","0.0006","10.0327","0.0007","15.4922","0.0011","88.948","0.004","88.022","0.004","73.555","0.004","1230.31","0.15","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C25 H24 Br Mn N4 O3 -","- C25 H24 Br Mn N4 O3 -","- C50 H48 Br2 Mn2 N8 O6 -","2","1","","Ruiz, Javier; Garc\?ía, Lucía; Mejuto, Carmen; Perandones, Bernabé F.; Vivanco, Marilín","Divergent Reactivity of Mixed-Ligand Manganese(I) Carbonyl‒Isocyanide Complexes toward Primary Amines","Organometallics","2012","31","17","6420","","10.1021/om3006454","","x-ray","0.7107","MoKα","","0.0892","0.0529","","","0.1223","0.1395","","","","","","1.035","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079285","8.8447","0.0002","16.2398","0.0004","12.1115","0.0003","90","","97.241","0.001","90","","1725.78","0.07","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl N2 Sn -","- C16 H23 Cl N2 Sn -","- C64 H92 Cl4 N8 Sn4 -","4","1","","Chia, Siew-Peng; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Distannylene toward Potassium Graphite: Synthesis of a Stannylidenide Anion","Organometallics","2012","31","17","6415","","10.1021/om300646d","","","0.71073","MoKα","","0.0642","0.0492","","","0.1471","0.1564","","","","","","1.036","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079286","18.2275","0.0005","17.1965","0.0005","20.7428","0.0007","90","","90","","90","","6501.8","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N4 Sn2 -","- C32 H46 N4 Sn2 -","- C256 H368 N32 Sn16 -","8","1","","Chia, Siew-Peng; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Distannylene toward Potassium Graphite: Synthesis of a Stannylidenide Anion","Organometallics","2012","31","17","6415","","10.1021/om300646d","","","0.71073","MoKα","","0.071","0.0368","","","0.0949","0.1353","","","","","","1.057","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079287","10.2822","0.0005","11.0911","0.0005","20.2384","0.0012","90","","90","","90","","2308","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 K N2 O Sn -","- C20 H31 K N2 O Sn -","- C80 H124 K4 N8 O4 Sn4 -","4","1","","Chia, Siew-Peng; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Distannylene toward Potassium Graphite: Synthesis of a Stannylidenide Anion","Organometallics","2012","31","17","6415","","10.1021/om300646d","","","0.71073","MoKα","","0.0826","0.0515","","","0.1055","0.1336","","","","","","1.01","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079288","10.326","0.0002","14.5123","0.0002","15.9712","0.0002","90","","97.268","0.001","90","","2374.12","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N3 O8 Ru3 -","- C22 H13 N3 O8 Ru3 -","- C88 H52 N12 O32 Ru12 -","4","1","","Cabeza, Javier A.; Damonte, Marina; Pérez-Carre Enrique","Reactivity of a Quinoline-Tethered N-Heterocyclic Carbene with Polynuclear Ruthenium Carbonyls","Organometallics","2012","31","23","8114","","10.1021/om300651d","","","1.5418","CuKα","","0.0369","0.0279","","","0.0647","0.0695","","","","","","1.018","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079289","26.705","0.004","19.098","0.003","18.507","0.003","90","","95.03","0.002","90","","9402","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H220 I12 K6 O36 Si24 Zn6 -","- C90 H220 I12 K6 O36 Si24 Zn6 -","- C180 H440 I24 K12 O72 Si48 Zn12 -","2","0.5","","Li, Hui; Hung-Low, Fernando; Krempner, Clemens","Synthesis and Structure of Zwitterionic Silylborates and Silylzincates with Pendant Polydonor Arms","Organometallics","2012","31","20","7117","","10.1021/om300652n","","","0.71073","MoKα","","0.0832","0.0589","","","0.1387","0.1527","","","","","","1.027","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079290","10.627","0.002","13.144","0.003","16.759","0.003","85.465","0.001","89.522","0.002","68.743","0.002","2174.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H39 B F15 K O6 Si4 -","- C33 H39 B F15 K O6 Si4 -","- C66 H78 B2 F30 K2 O12 Si8 -","2","1","","Li, Hui; Hung-Low, Fernando; Krempner, Clemens","Synthesis and Structure of Zwitterionic Silylborates and Silylzincates with Pendant Polydonor Arms","Organometallics","2012","31","20","7117","","10.1021/om300652n","","","0.71073","MoKα","","0.0912","0.0466","","","0.0937","0.1086","","","","","","0.99","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079291","13.074","0.004","23.738","0.007","20.501","0.006","90","","106.964","0.002","90","","6086","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 B2 F30 O6 Si4 Zn -","- C52 H42 B2 F30 O6 Si4 Zn -","- C208 H168 B8 F120 O24 Si16 Zn4 -","4","1","","Li, Hui; Hung-Low, Fernando; Krempner, Clemens","Synthesis and Structure of Zwitterionic Silylborates and Silylzincates with Pendant Polydonor Arms","Organometallics","2012","31","20","7117","","10.1021/om300652n","","","0.71073","MoKα","","0.0505","0.0322","","","0.0673","0.0747","","","","","","1.015","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079292","13.932","0.004","18.058","0.006","16.132","0.005","90","","107.75","0.018","90","","3865","2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 F20 N10 Re2 -","- C34 H22 F20 N10 Re2 -","- C136 H88 F80 N40 Re8 -","4","1","","Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A.","Role of Low-Valent Rhenium Species in Catalytic Hydrosilylation Reactions with Oxorhenium Catalysts","Organometallics","2012","31","17","5994","","10.1021/om300654q","","","0.71073","MoKα","","0.0713","0.0338","","","0.05","0.0571","","","","","","0.998","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079293","14.0323","0.0008","18.1028","0.0011","16.0862","0.001","90","","108.979","0.003","90","","3864.1","0.4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 F20 N6 O2 Re2 -","- C36 H22 F20 N6 O2 Re2 -","- C144 H88 F80 N24 O8 Re8 -","4","1","","Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A.","Role of Low-Valent Rhenium Species in Catalytic Hydrosilylation Reactions with Oxorhenium Catalysts","Organometallics","2012","31","17","5994","","10.1021/om300654q","","","0.71073","MoKα","","0.0595","0.0333","","","0.0648","0.0725","","","","","","1.015","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079294","21.3154","0.0008","18.0984","0.0007","21.5042","0.0008","90","","119.441","0.001","90","","7224.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 Cu F6 N4 -","- C38 H41 Cu F6 N4 -","- C304 H328 Cu8 F48 N32 -","8","2","","Krylova, Valentina A.; Djurovich, Peter I.; Aronson, Jacob W.; Haiges, Ralf; Whited, Matthew T.; Thompson, Mark E.","Structural and Photophysical Studies of Phosphorescent Three-Coordinate Copper(I) Complexes Supported by an N-Heterocyclic Carbene Ligand","Organometallics","2012","31","22","7983","","10.1021/om300656v","","","0.71073","MoKα","","0.0482","0.0331","","","0.0835","0.0923","","","","","","1.011","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079295","11.8209","0.0011","14.4304","0.0014","20.0438","0.0018","90","","104.402","0.002","90","","3311.6","0.5","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 Cu F3 N5 -","- C36 H41 Cu F3 N5 -","- C144 H164 Cu4 F12 N20 -","4","1","","Krylova, Valentina A.; Djurovich, Peter I.; Aronson, Jacob W.; Haiges, Ralf; Whited, Matthew T.; Thompson, Mark E.","Structural and Photophysical Studies of Phosphorescent Three-Coordinate Copper(I) Complexes Supported by an N-Heterocyclic Carbene Ligand","Organometallics","2012","31","22","7983","","10.1021/om300656v","","","0.71073","MoKα","","0.0736","0.05","","","0.0742","0.0789","","","","","","1.447","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079296","11.8747","0.0002","14.5369","0.0003","19.6509","0.0004","90","","104.921","0.001","90","","3277.79","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(IPr)Cu(tpta)","","","- C35 H40 Cu F3 N6 -","- C35 H40 Cu F3 N6 -","- C140 H160 Cu4 F12 N24 -","4","1","","Krylova, Valentina A.; Djurovich, Peter I.; Aronson, Jacob W.; Haiges, Ralf; Whited, Matthew T.; Thompson, Mark E.","Structural and Photophysical Studies of Phosphorescent Three-Coordinate Copper(I) Complexes Supported by an N-Heterocyclic Carbene Ligand","Organometallics","2012","31","22","7983","","10.1021/om300656v","","","0.71073","MoKα","","0.0549","0.0404","","","0.0933","0.1063","","","","","","1.066","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079297","27.15","0.004","27.15","0.004","9.967","0.002","90","","90","","90","","7347","2","293","2","293","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","compound 3","","","- C43 H42 P2 Ru -","- C43 H42 P2 Ru -","- C344 H336 P16 Ru8 -","8","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.107","0.0533","","","0.1169","0.1372","","","","","","1.014","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079298","19.462","0.0004","18.6629","0.0003","30.1543","0.0005","90","","96.664","0.001","90","","10878.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C45 H40 D2 P2 Ru -","- C45 H40 D2 P2 Ru -","- C540 H480 D24 P24 Ru12 -","12","3","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","","0.71073","MoKα","","0.248","0.0825","","","0.0899","0.1196","","","","","","0.975","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079299","10.3273","0.0005","10.9844","0.0004","13.2916","0.0007","80.67","0.003","80.643","0.002","88.944","0.003","1468","0.12","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","compound 5","","","- C35 H33 Cl P2 Ru -","- C35 H33 Cl P2 Ru -","- C70 H66 Cl2 P4 Ru2 -","2","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.0802","0.0475","","","0.0822","0.0923","","","","","","1.004","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079300","9.8512","0.0002","9.9517","0.0003","17.527","0.0005","94.129","0.001","101.132","0.002","109.474","0.002","1572.14","0.08","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","compound 6","","","- C37 H37 Cl P2 Ru -","- C37 H37 Cl P2 Ru -","- C74 H74 Cl2 P4 Ru2 -","2","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.0522","0.0359","","","0.0782","0.0851","","","","","","1.023","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079301","26.42","0.005","15.661","0.003","10.368","0.002","90","","90","","90","","4289.9","1.4","173","2","173","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","compound 7","","","- C50 H56 Cl N O P2 Ru -","- C50 H56 Cl N O P2 Ru -","- C200 H224 Cl4 N4 O4 P8 Ru4 -","4","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.0724","0.0518","","","0.1015","0.1099","","","","","","1.079","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4079302","10.5927","0.0002","17.9038","0.0004","19.2645","0.0004","90","","105.096","0.001","90","","3527.42","0.13","198","2","198","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","Compound 12","","","- C42 H39 Cl O P2 Ru -","- C42 H39 Cl O P2 Ru -","- C168 H156 Cl4 O4 P8 Ru4 -","4","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.0641","0.0394","","","0.0785","0.0879","","","","","","1.075","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079303","14.6304","0.0002","10.2836","0.0002","23.7864","0.0005","90","","102.886","0.001","90","","3488.61","0.11","198","2","198","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Compound 13","","","- C42 H40 O P2 Ru -","- C42 H40 O P2 Ru -","- C168 H160 O4 P8 Ru4 -","4","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.0729","0.0402","","","0.067","0.0759","","","","","","1.012","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079304","10.8659","0.0001","23.4861","0.0004","15.9331","0.0002","90","","94.569","0.001","90","","4053.17","0.09","198","2","198","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Compound 14","","","- C47 H46 O1.5 P2 Ru -","- C47 H46 O1.5 P2 Ru -","- C188 H184 O6 P8 Ru4 -","4","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.1322","0.0647","","","0.1263","0.1478","","","","","","1.037","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4079305","19.6864","0.0003","20.2907","0.0004","21.8553","0.0005","90","","107.242","0.001","90","","8337.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Compound 15","","","- C48 H52 O P2 Ru -","- C48 H52 O P2 Ru -","- C384 H416 O8 P16 Ru8 -","8","2","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.1394","0.0706","","","0.1495","0.1818","","","","","","1.012","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079306","10.822","0.003","15.703","0.005","16.449","0.005","111.656","0.004","91.252","0.002","109.791","0.004","2409.9","1.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Au F3 N O2 -","- C27 H27 Au F3 N O2 -","- C108 H108 Au4 F12 N4 O8 -","4","2","","Smith, Dan A.; Roşca, Dragoş-Adrian; Bochmann, Manfred","Selective Au‒C Cleavage in (C∧N∧C)Au(III) Aryl and Alkyl Pincer Complexes","Organometallics","2012","31","17","5998","","10.1021/om300666j","","","0.71075","MoKα","","0.0246","0.0195","","","0.0383","0.0393","","","","","","0.933","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079307","11.3438","0.0009","11.7899","0.0007","13.5826","0.0007","114.937","0.005","91.198","0.005","112.676","0.007","1482.9","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H32 Au F4 N O2 -","- C33 H32 Au F4 N O2 -","- C66 H64 Au2 F8 N2 O4 -","2","1","","Smith, Dan A.; Roşca, Dragoş-Adrian; Bochmann, Manfred","Selective Au‒C Cleavage in (C∧N∧C)Au(III) Aryl and Alkyl Pincer Complexes","Organometallics","2012","31","17","5998","","10.1021/om300666j","","","0.71073","MoKα","","0.0591","0.0506","","","0.128","0.1351","","","","","","1.094","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079308","7.1567","0.0014","10.841","0.002","15.938","0.003","79.87","0.03","78.42","0.03","84.22","0.03","1189.8","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 Au N -","- C27 H32 Au N -","- C54 H64 Au2 N2 -","2","1","","Smith, Dan A.; Roşca, Dragoş-Adrian; Bochmann, Manfred","Selective Au‒C Cleavage in (C∧N∧C)Au(III) Aryl and Alkyl Pincer Complexes","Organometallics","2012","31","17","5998","","10.1021/om300666j","","","0.71073","MoKα","","0.0823","0.0588","","","0.1212","0.1301","","","","","","1.057","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079309","22.474","0.0014","11.8708","0.0004","23.1806","0.0008","90","","92.239","0.001","90","","6179.5","0.5","200","2","200","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C68 H74 Li2 O8 P4 -","- C68 H74 Li2 O8 P4 -","- C272 H296 Li8 O32 P16 -","4","0.5","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.0922","0.0545","","","0.1385","0.1618","","","","","","1.012","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079310","10.9642","0.0002","14.2926","0.0003","21.7885","0.0004","100.838","0.001","100.876","0.001","92.492","0.001","3282.22","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Li N O2 P2 -","- C36 H42 Li N O2 P2 -","- C144 H168 Li4 N4 O8 P8 -","4","2","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.1019","0.0629","","","0.1566","0.182","","","","","","1.019","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079311","19.5177","0.0006","10.7808","0.0004","21.5695","0.0008","90","","107.415","0.001","90","","4330.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Li N O3 P2 -","- C46 H58 Li N O3 P2 -","- C184 H232 Li4 N4 O12 P8 -","4","1","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.0747","0.0549","","","0.1537","0.1734","","","","","","1.01","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079312","12.2935","0.0006","12.2935","0.0006","29.6984","0.0017","90","","90","","90","","4488.3","0.4","200","2","200","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C41 H53 Cl4 Cr Li2 O4 P2 -","- C41 H53 Cl4 Cr Li2 O4 P2 -","- C164 H212 Cl16 Cr4 Li8 O16 P8 -","4","0.5","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.044","0.0392","","","0.095","0.0986","","","","","","1.033","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079313","12.0461","0.0003","16.7975","0.0004","17.8616","0.0004","63.288","0.001","71.886","0.001","75.243","0.001","3040.21","0.13","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H70 Cl2 Cr Li O3.5 P4 -","- C64 H70 Cl2 Cr Li O3.5 P4 -","- C128 H140 Cl4 Cr2 Li2 O7 P8 -","2","1","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.1339","0.0657","","","0.1589","0.1913","","","","","","0.995","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079314","13.8435","0.0004","14.4075","0.0005","16.5489","0.0005","86.82","0.002","82.579","0.001","69.689","0.001","3069.32","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H148 Cr2 O16 P8 -","- C136 H148 Cr2 O16 P8 -","- C136 H148 Cr2 O16 P8 -","1","0.5","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.114","0.0704","","","0.1546","0.173","","","","","","1.026","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079315","19.0788","0.0007","13.3281","0.0006","19.2683","0.0008","90","","111.565","0.002","90","","4556.7","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H53 Cl2 Cr N O3.5 P2 -","- C43.5 H53 Cl2 Cr N O3.5 P2 -","- C174 H212 Cl8 Cr4 N4 O14 P8 -","4","1","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.1053","0.0598","","","0.151","0.1796","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079316","10.0967","0.0007","17.0346","0.0011","17.5685","0.0012","98.269","0.003","106.698","0.003","96.575","0.003","2825.2","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 Cl2 Cr N O4.5 P2 -","- C52 H66 Cl2 Cr N O4.5 P2 -","- C104 H132 Cl4 Cr2 N2 O9 P4 -","2","1","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.1149","0.0774","","","0.2017","0.2416","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079317","12.174","0.003","12.264","0.003","18.999","0.005","101.532","0.004","101.101","0.004","110.256","0.004","2499.5","1.1","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H64 Cl2 Cr N O5 P2 -","- C51 H64 Cl2 Cr N O5 P2 -","- C102 H128 Cl4 Cr2 N2 O10 P4 -","2","1","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.1736","0.0796","","","0.1605","0.1944","","","","","","1.027","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079318","36.278","0.007","15.547","0.003","22.263","0.005","90","","119.787","0.002","90","","10898","4","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C88 H108 Al4 Cl8 Cr2 N2 O2 P4 -","- C88 H108 Al4 Cl8 Cr2 N2 O2 P4 -","- C352 H432 Al16 Cl32 Cr8 N8 O8 P16 -","4","0.5","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.1214","0.0654","","","0.1578","0.1893","","","","","","1.04","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079319","8.7587","0.001","20.7199","0.0019","11.3341","0.0015","90","","106.939","0.013","90","","1967.7","0.4","150.05","0.1","150.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 B Cl2 F4 N3 Ru -","- C15 H24 B Cl2 F4 N3 Ru -","- C60 H96 B4 Cl8 F16 N12 Ru4 -","4","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Heterobimetallic Iridium‒Ruthenium Assemblies through an Ambidentate Triazole-Diylidene Ligand: Electrochemical Properties and Catalytic Behavior in a Cascade Reaction","Organometallics","2012","31","17","6450","","10.1021/om300675p","","","0.7107","MoKα","","0.0616","0.0412","","","0.0873","0.0986","","","","","","1.064","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079320","7.8849","0.0002","12.4914","0.0003","14.3261","0.0003","81.278","0.001","88.846","0.001","75.726","0.001","1351.43","0.06","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H27 B Cl2 N7 O3 P Ru -","- C22 H27 B Cl2 N7 O3 P Ru -","- C44 H54 B2 Cl4 N14 O6 P2 Ru2 -","2","1","","Joslin, Evan E.; McMullin, Claire L.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","Catalytic Hydroarylation of Ethylene Using TpRu(L)(NCMe)Ph (L = 2,6,7-Trioxa-1-phosphabicyclo[2,2,1]heptane): Comparison to TpRu(L′)(NCMe)Ph Systems (L′ = CO, PMe3, P(pyr)3, or P(OCH2)3CEt)","Organometallics","2012","31","19","6851","","10.1021/om300676e","","","0.71073","MoKα","","0.0495","0.0386","","","0.111","0.1224","","","","","","0.898","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079321","16.853","0.0005","9.485","0.0003","22.4374","0.0006","90","","97.109","0.001","90","","3559.06","0.18","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Au Ir4 O11 P -","- C30 H18 Au Ir4 O11 P -","- C120 H72 Au4 Ir16 O44 P4 -","4","1","","Adams, Richard D.; Chen, Mingwei","Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands","Organometallics","2012","31","17","6457","","10.1021/om300678c","","","0.71073","MoKα","","0.0369","0.0306","","","0.0738","0.0776","","","","","","1.046","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079322","36.675","0.015","15.048","0.006","17.918","0.007","90","","99.71","0.009","90","","9747","7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H24 Au Ir4 O11 P -","- C51 H24 Au Ir4 O11 P -","- C408 H192 Au8 Ir32 O88 P8 -","8","1","","Adams, Richard D.; Chen, Mingwei","Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands","Organometallics","2012","31","17","6457","","10.1021/om300678c","","","0.71073","MoKα","","0.0924","0.0581","","","0.1043","0.1162","","","","","","1.08","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079323","23.4673","0.0012","15.1658","0.0008","26.0618","0.0013","90","","112.857","0.001","90","","8547.1","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89 H72 Au4 Ir4 O9 P4 -","- C89 H72 Au4 Ir4 O9 P4 -","- C356 H288 Au16 Ir16 O36 P16 -","4","1","","Adams, Richard D.; Chen, Mingwei","Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands","Organometallics","2012","31","17","6457","","10.1021/om300678c","","","0.71073","MoKα","","0.056","0.0347","","","0.0767","0.0852","","","","","","1.012","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079324","13.1907","0.0008","14.109","0.0008","25.7346","0.0015","87.811","0.001","79.125","0.001","79.825","0.001","4629.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H77 Au3 Ir4 O9 P4 -","- C99 H77 Au3 Ir4 O9 P4 -","- C198 H154 Au6 Ir8 O18 P8 -","2","1","","Adams, Richard D.; Chen, Mingwei","Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands","Organometallics","2012","31","17","6457","","10.1021/om300678c","","","0.71073","MoKα","","0.1111","0.0689","","","0.1304","0.1443","","","","","","1.095","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079325","13.8353","0.0015","19.656","0.002","19.87","0.002","75.375","0.002","74.007","0.002","75.261","0.002","4925.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H88 Au4 Ir4 O9 P4 -","- C111 H88 Au4 Ir4 O9 P4 -","- C222 H176 Au8 Ir8 O18 P8 -","2","1","","Adams, Richard D.; Chen, Mingwei","Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands","Organometallics","2012","31","17","6457","","10.1021/om300678c","","","0.71073","MoKα","","0.0563","0.0363","","","0.0791","0.0938","","","","","","1.025","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079326","13.7892","0.0014","13.9054","0.0014","17.8443","0.0018","85.321","0.002","75.087","0.002","65.024","0.002","2995.7","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 Au2 Ir4 O9 P3 -","- C60 H42 Au2 Ir4 O9 P3 -","- C120 H84 Au4 Ir8 O18 P6 -","2","1","","Adams, Richard D.; Chen, Mingwei","Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands","Organometallics","2012","31","17","6457","","10.1021/om300678c","","","0.71073","MoKα","","0.0831","0.058","","","0.128","0.1398","","","","","","1.087","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079327","12.016","0.0007","26.7052","0.0016","13.3195","0.0008","90","","93.049","0.001","90","","4268","0.4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H56 F3 N3 O4 Os S -","- C45 H56 F3 N3 O4 Os S -","- C180 H224 F12 N12 O16 Os4 S4 -","4","1","","Buil, María L.; Cadierno, Victorio; Esteruelas, Miguel A.; Gimeno, José; Herrero, Juana; Izquierdo, Susana; Oñate, Enrique","Selective Hydration of Nitriles to Amides Promoted by an Os‒NHC Catalyst: Formation and X-ray Characterization of κ2-Amidate Intermediates","Organometallics","2012","31","19","6861","","10.1021/om3006799","","","0.71073","MoKα","","0.0417","0.0272","","","0.0596","0.0652","","","","","","0.974","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079328","20.631","0.003","21.915","0.003","18.194","0.003","91.0422","0.0017","89.924","0.003","94.596","0.003","8198","2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C153.5 H152 Cl7 F18 N2 O P15 Pt6 -","- C153.5 H152 Cl7 F18 N2 O P15 Pt6 -","- C307 H304 Cl14 F36 N4 O2 P30 Pt12 -","2","1","","Goto, Eri; Begum, Rowshan Ara; Hosokawa, Aya; Yamamoto, Chie; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Derived from Reductive Coupling of Pt2M Building Blocks Supported by Triphosphine Ligands","Organometallics","2012","31","24","8482","","10.1021/om300680p","","","0.71075","MoKα","","","0.0749","","","","0.223","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079329","20.405","0.004","21.847","0.004","18.268","0.003","91.459","0.003","89.822","0.002","94.575","0.003","8115","3","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C153.5 H152 Cl7 F18 N2 O P15 Pd2 Pt4 -","- C153.5 H152 Cl7 F18 N2 O P15 Pd2 Pt4 -","- C307 H304 Cl14 F36 N4 O2 P30 Pd4 Pt8 -","2","1","","Goto, Eri; Begum, Rowshan Ara; Hosokawa, Aya; Yamamoto, Chie; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Derived from Reductive Coupling of Pt2M Building Blocks Supported by Triphosphine Ligands","Organometallics","2012","31","24","8482","","10.1021/om300680p","","","0.71075","MoKα","","","0.0629","","","","0.193","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079330","9.8633","0.0002","19.018","0.0003","22.4013","0.0005","90","","90","","90","","4202.04","0.14","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B Cl7 N7 P Ru -","- C34 H36 B Cl7 N7 P Ru -","- C136 H144 B4 Cl28 N28 P4 Ru4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0778","0.0536","","","0.1325","0.172","","","","","","1.116","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079331","8.1942","0.0002","19.313","0.0003","19.9311","0.0004","90","","90","","90","","3154.19","0.11","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 B N10 P Ru -","- C32 H34 B N10 P Ru -","- C128 H136 B4 N40 P4 Ru4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0483","0.0344","","","0.0884","0.1147","","","","","","1.226","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079332","13.3822","0.0011","15.9553","0.0011","18.7217","0.0011","90","","104.678","0.003","90","","3866.9","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 B N10 O4 P Ru -","- C38 H40 B N10 O4 P Ru -","- C152 H160 B4 N40 O16 P4 Ru4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0927","0.0473","","","0.0847","0.0979","","","","","","1.06","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079333","11.0468","0.0001","14.3383","0.0002","16.6963","0.0003","90","","105.738","0.001","90","","2545.43","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B N9 Ru S -","- C20 H28 B N9 Ru S -","- C80 H112 B4 N36 Ru4 S4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0365","0.031","","","0.0761","0.0811","","","","","","1.092","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079334","9.027","0.0002","16.176","0.0004","16.069","0.0004","90","","90","","90","","2346.41","0.1","200","2","200","2","","","","","","","","6","P b n 21","P 2c -2ab","33","","","","- C22 H26 B N7 O Ru -","- C22 H26 B N7 O Ru -","- C88 H104 B4 N28 O4 Ru4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0583","0.0409","","","0.1026","0.1326","","","","","","1.204","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079335","10.9704","0.0006","19.2553","0.001","19.7665","0.001","90","","94.333","0.003","90","","4163.5","0.4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 B F6 N7 O P2 Ru -","- C38 H44 B F6 N7 O P2 Ru -","- C152 H176 B4 F24 N28 O4 P8 Ru4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0952","0.0576","","","0.1448","0.1705","","","","","","1.085","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079336","10.6308","0.0001","21.975","0.0003","18.3342","0.0002","90","","91.856","0.001","90","","4280.84","0.08","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 B F6 N7 O P2 Ru -","- C36 H40 B F6 N7 O P2 Ru -","- C144 H160 B4 F24 N28 O4 P8 Ru4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.066","0.0546","","","0.1604","0.17","","","","","","1.071","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079337","15.21","0.0002","18.029","0.0003","23.847","0.0005","90","","90","","90","","6539.4","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H33 B I N9 Ru -","- C21 H33 B I N9 Ru -","- C168 H264 B8 I8 N72 Ru8 -","8","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0982","0.059","","","0.1543","0.1747","","","","","","1.04","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079338","11.9095","0.0003","14.7757","0.0003","18.7027","0.0005","90","","98.505","0.001","90","","3254.94","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 B2 Br2 N18 O3 Ru2 -","- C52 H76 B2 Br2 N18 O3 Ru2 -","- C104 H152 B4 Br4 N36 O6 Ru4 -","2","0.5","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.1162","0.0663","","","0.1736","0.2028","","","","","","1.032","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079339","9.7743","0.0013","13.5331","0.0019","19.326","0.003","87.652","0.003","87.166","0.003","85.888","0.003","2544.9","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 B I N8 Ru -","- C19 H28 B I N8 Ru -","- C76 H112 B4 I4 N32 Ru4 -","4","2","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.1027","0.0814","","","0.194","0.203","","","","","","1.116","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079340","11.2129","0.0002","17.4577","0.0003","19.2564","0.0003","90","","103.973","0.001","90","","3657.93","0.11","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H50 Au Cl3 O P2 Si2 -","- C29 H50 Au Cl3 O P2 Si2 -","- C116 H200 Au4 Cl12 O4 P8 Si8 -","4","1","","Gualco, Pauline; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold-Mediated Insertion of Oxygen into Silicon‒Silicon Bond: An Original Au(I)/Au(III) Redox Sequence","Organometallics","2012","31","17","6001","","10.1021/om3006905","","","0.71073","MoKα","","0.0365","0.0242","","","0.054","0.0586","","","","","","1.014","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079341","10.5602","0.0002","16.2529","0.0003","36.3419","0.0007","90","","90","","90","","6237.5","0.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Au Cl P2 Si2 -","- C30 H36 Au Cl P2 Si2 -","- C240 H288 Au8 Cl8 P16 Si16 -","8","2","","Gualco, Pauline; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold-Mediated Insertion of Oxygen into Silicon‒Silicon Bond: An Original Au(I)/Au(III) Redox Sequence","Organometallics","2012","31","17","6001","","10.1021/om3006905","","","0.71073","MoKα","","0.0618","0.0408","","","0.0676","0.0734","","","","","","1.025","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079342","12.321","0.003","10.964","0.002","17.109","0.003","90","","96.98","0.03","90","","2294.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido-(η^6^-p-cymene)-{κ^2^ <i>C</i>,<i>N</i>-3-methyl-1- (pyrid-2-ylmethyl)-2,3-dihydro-imidazole-2-ylidene}-ruthenium(II) hexafluorophosphate","","- C20 H25 Cl F6 N3 P Ru -","- C20 H25 Cl F6 N3 P Ru -","- C80 H100 Cl4 F24 N12 P4 Ru4 -","4","1","","Fernández, Francys E.; Puerta, M. Carmen; Valerga, Pedro","Ruthenium(II) Picolyl-NHC Complexes: Synthesis, Characterization, and Catalytic Activity in Amine N-alkylation and Transfer Hydrogenation Reactions","Organometallics","2012","31","19","6868","","10.1021/om300692a","","x-ray","0.71073","MoKα","","0.0793","0.0638","","","0.185","0.1961","","","","","","1.068","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079343","8.399","0.0017","10.152","0.002","14.854","0.003","91.81","0.03","103.06","0.03","106.17","0.03","1178.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Chlorido-(η^6^-p-cymene)-{κ^2^ <i>C</i>,<i>N</i>-4,5-dichloro-3-methyl-1- (pyrid-2-ylmethyl)-2,3-dihydro-imidazole-2-ylidene}-ruthenium(II) hexafluorophosphate","","- C20 H23 Cl3 F6 N3 P Ru -","- C20 H23 Cl3 F6 N3 P Ru -","- C40 H46 Cl6 F12 N6 P2 Ru2 -","2","1","","Fernández, Francys E.; Puerta, M. Carmen; Valerga, Pedro","Ruthenium(II) Picolyl-NHC Complexes: Synthesis, Characterization, and Catalytic Activity in Amine N-alkylation and Transfer Hydrogenation Reactions","Organometallics","2012","31","19","6868","","10.1021/om300692a","","x-ray","0.71073","MoKα","","0.0414","0.0372","","","0.1073","0.1272","","","","","","1.059","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079344","13.1225","0.0006","16.4596","0.0008","17.07","0.0008","115.228","0.003","96.147","0.003","98.341","0.003","3240.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H36 O S2 W -","- C110 H36 O S2 W -","- C220 H72 O2 S4 W2 -","2","1","","Wang, Shu-Jou; Yeh, Wen-Yann","C60-Induced Alkyne Cycloaddition with W(CO)(PhC≡CPh)3","Organometallics","2012","31","17","6491","","10.1021/om3006933","","","0.71073","MoKα","","0.1518","0.0696","","","0.1151","0.1404","","","","","","0.974","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079345","12.575","0.003","15.011","0.004","18.114","0.004","101.157","0.004","90.189","0.004","103.451","0.003","3258.4","1.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 O2 W -","- C44 H30 O2 W -","- C176 H120 O8 W4 -","4","2","","Wang, Shu-Jou; Yeh, Wen-Yann","C60-Induced Alkyne Cycloaddition with W(CO)(PhC≡CPh)3","Organometallics","2012","31","17","6491","","10.1021/om3006933","","","0.71073","MoKα","","0.1186","0.0676","","","0.1406","0.1637","","","","","","1.118","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079346","16.3857","0.0006","6.8796","0.0003","12.1386","0.0005","90","","109.105","0.004","90","","1292.98","0.1","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl Mn N O6 -","- C10 H9 Cl Mn N O6 -","- C40 H36 Cl4 Mn4 N4 O24 -","4","1","","Sulieman, Samer; Can, Daniel; Mertens, John; N’Dongo, Harmel W. Peindy; Liu, Yu; Schmutz, Paul; Bauwens, Matthias; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl-Based Amino Acids (Cp-aa) As Phenylalanine Analogues for Tumor Targeting: Syntheses and Biological Properties of [(Cp-aa)M(CO)3](M = Mn, Re,99mTc)","Organometallics","2012","31","19","6880","","10.1021/om300695k","","","0.7107","MoKα","","0.0898","0.075","","","0.2105","0.2157","","","","","","1.162","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079347","16.2347","0.001","7.0811","0.0003","12.2183","0.0005","90","","107.898","0.006","90","","1336.63","0.12","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl N O6 Re -","- C10 H9 Cl N O6 Re -","- C40 H36 Cl4 N4 O24 Re4 -","4","1","","Sulieman, Samer; Can, Daniel; Mertens, John; N’Dongo, Harmel W. Peindy; Liu, Yu; Schmutz, Paul; Bauwens, Matthias; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl-Based Amino Acids (Cp-aa) As Phenylalanine Analogues for Tumor Targeting: Syntheses and Biological Properties of [(Cp-aa)M(CO)3](M = Mn, Re,99mTc)","Organometallics","2012","31","19","6880","","10.1021/om300695k","","","0.7107","MoKα","","0.0756","0.0606","","","0.1594","0.1681","","","","","","1.049","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079348","12.9331","0.0003","6.3626","0.0001","12.5315","0.0002","90","","93.4788","0.0019","90","","1029.29","0.03","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Mn N2 O3 -","- C10 H7 Mn N2 O3 -","- C40 H28 Mn4 N8 O12 -","4","1","","Sulieman, Samer; Can, Daniel; Mertens, John; N’Dongo, Harmel W. Peindy; Liu, Yu; Schmutz, Paul; Bauwens, Matthias; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl-Based Amino Acids (Cp-aa) As Phenylalanine Analogues for Tumor Targeting: Syntheses and Biological Properties of [(Cp-aa)M(CO)3](M = Mn, Re,99mTc)","Organometallics","2012","31","19","6880","","10.1021/om300695k","","","0.7107","MoKα","","0.0413","0.0291","","","0.068","0.0705","","","","","","1.008","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079349","7.1795","0.0009","11.8709","0.0015","22.508","0.003","90","","90","","90","","1918.3","0.4","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Ir -","- C25 H25 Ir -","- C100 H100 Ir4 -","4","1","","Graeupner, Jonathan; Brewster, Timothy P.; Blakemore, James D.; Schley, Nathan D.; Thomsen, Julianne M.; Brudvig, Gary W.; Hazari, Nilay; Crabtree, Robert H.","Electron-Rich CpIr(biphenyl-2,2'-diyl) Complexes with π-Accepting Carbon Donor Ligands.","Organometallics","2012","31","20","7158","7164","10.1021/om300696t","","","0.71075","MoKα","","","0.043","","","","0.067","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079350","25.3156","0.0015","25.3156","0.0015","10.7989","0.0007","90","","90","","90","","6920.8","0.7","223","","223","","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C43 H40 Cl2 Ir2 -","- C43 H40 Cl2 Ir2 -","- C344 H320 Cl16 Ir16 -","8","1","","Graeupner, Jonathan; Brewster, Timothy P.; Blakemore, James D.; Schley, Nathan D.; Thomsen, Julianne M.; Brudvig, Gary W.; Hazari, Nilay; Crabtree, Robert H.","Electron-Rich CpIr(biphenyl-2,2'-diyl) Complexes with π-Accepting Carbon Donor Ligands.","Organometallics","2012","31","20","7158","7164","10.1021/om300696t","","","0.71075","MoKα","","","0.0641","","","","0.091","","","","","","1.153","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079351","12.614","0.0003","12.6942","0.0003","17.5738","0.0004","90","","90","","90","","2814","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N3 O Si2 Zn -","- C26 H41 N3 O Si2 Zn -","- C104 H164 N12 O4 Si8 Zn4 -","4","1","","Abbina, Srinivas; Du, Guodong","Chiral Amido-Oxazolinate Zinc Complexes for Asymmetric Alternating Copolymerization of CO2and Cyclohexene Oxide","Organometallics","2012","31","21","7394","","10.1021/om3006992","","","0.71073","MoKα","","0.0219","0.02","","","0.0507","0.0515","","","","","","1.036","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079352","8.2758","0.0004","11.7384","0.0006","30.5893","0.0016","90","","90","","90","","2971.6","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","11070a","","","- C27 H43 N3 O Si2 Zn -","- C27 H43 N3 O Si2 Zn -","- C108 H172 N12 O4 Si8 Zn4 -","4","1","","Abbina, Srinivas; Du, Guodong","Chiral Amido-Oxazolinate Zinc Complexes for Asymmetric Alternating Copolymerization of CO2and Cyclohexene Oxide","Organometallics","2012","31","21","7394","","10.1021/om3006992","","","0.71073","MoKα","","0.0298","0.0278","","","0.0765","0.0779","","","","","","1.049","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079353","21.6521","0.0009","12.6935","0.0006","23.1553","0.0013","90","","110.138","0.002","90","","5975","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H74 N6 O4 Si4 Zn2 -","- C50 H74 N6 O4 Si4 Zn2 -","- C200 H296 N24 O16 Si16 Zn8 -","4","1","","Abbina, Srinivas; Du, Guodong","Chiral Amido-Oxazolinate Zinc Complexes for Asymmetric Alternating Copolymerization of CO2and Cyclohexene Oxide","Organometallics","2012","31","21","7394","","10.1021/om3006992","","","1.54178","CuKα","","0.0259","0.0245","","","0.0616","0.0623","","","","","","1.043","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079354","17.874","0.005","9.872","0.003","20.461","0.006","90","","108.991","0.005","90","","3413.9","1.7","89","2","89","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","C72 H96 O2 P2 Pt, 0.2(CH2Cl2)","","","- C72.2 H96.4 Cl0.4 O2 P2 Pt -","- C72.2 H96.4 Cl0.4 O2 P2 Pt -","- C144.4 H192.8 Cl0.8 O4 P4 Pt2 -","2","0.5","","Zhang, Pengrong; Berg, David J.; Mitchell, Reginald H.; Oliver, Allen; Patrick, Brian","Platinum Complexes of Alkynyl-Substituted Dimethyldihydropyrenes","Organometallics","2012","31","23","8121","","10.1021/om3007008","","","0.71073","MoKα","","0.0695","0.0495","","","0.1089","0.1176","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079355","9.8761","0.0003","22.2557","0.0007","18.5865","0.0005","90","","106.536","0.002","90","","3916.3","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(PhC(O)tBuDHP-CC)2-Pt(PEt2)2] + 0.5 hexane","","","- C85 H107 O2 P2 Pt -","- C85 H107 O2 P2 Pt -","- C170 H214 O4 P4 Pt2 -","2","0.5","","Zhang, Pengrong; Berg, David J.; Mitchell, Reginald H.; Oliver, Allen; Patrick, Brian","Platinum Complexes of Alkynyl-Substituted Dimethyldihydropyrenes","Organometallics","2012","31","23","8121","","10.1021/om3007008","","","0.71073","MoKα","","0.1045","0.0681","","","0.1725","0.1962","","","","","","1.071","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079356","9.5461","0.0003","12.4694","0.0005","21.4334","0.0008","76.936","0.001","77.888","0.002","68.018","0.001","2282.35","0.15","90","2","90","2","","","","","","","","6","P -1","-P 1","2","C106 H100 O2 P2 Pt, 2(C H2 Cl2)","","","- C108 H104 Cl4 O2 P2 Pt -","- C108 H104 Cl4 O2 P2 Pt -","- C108 H104 Cl4 O2 P2 Pt -","1","0.5","","Zhang, Pengrong; Berg, David J.; Mitchell, Reginald H.; Oliver, Allen; Patrick, Brian","Platinum Complexes of Alkynyl-Substituted Dimethyldihydropyrenes","Organometallics","2012","31","23","8121","","10.1021/om3007008","","","0.71073","MoKα","","0.0412","0.0406","","","0.1083","0.1088","","","","","","1.053","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079357","12.5087","0.0005","13.9309","0.0006","14.9918","0.0006","74.057","0.001","83.274","0.001","65.509","0.001","2285.92","0.16","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[(DHP-CC-)2Pt(PPh3)2] + C6H14","","","- C106 H110 P2 Pt -","- C106 H110 P2 Pt -","- C106 H110 P2 Pt -","1","0.5","","Zhang, Pengrong; Berg, David J.; Mitchell, Reginald H.; Oliver, Allen; Patrick, Brian","Platinum Complexes of Alkynyl-Substituted Dimethyldihydropyrenes","Organometallics","2012","31","23","8121","","10.1021/om3007008","","","0.71073","MoKα","","0.0308","0.0304","","","0.0927","0.093","","","","","","1.086","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079358","15.6482","0.0007","23.2366","0.001","24.2319","0.0011","90","","93.428","0.002","90","","8795.2","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C104 H104 P2 Pt -","- C90 H88 P2 Pt -","- C360 H352 P8 Pt4 -","4","0.5","","Zhang, Pengrong; Berg, David J.; Mitchell, Reginald H.; Oliver, Allen; Patrick, Brian","Platinum Complexes of Alkynyl-Substituted Dimethyldihydropyrenes","Organometallics","2012","31","23","8121","","10.1021/om3007008","","","0.71073","MoKα","","0.0712","0.0593","","","0.1208","0.1237","","","","","","1.194","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079359","7.8986","0.0001","11.002","0.0002","20.4886","0.0001","90","","97.825","0.001","90","","1763.89","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","in manuscript 2a","","","- C24 H46 Cu2 F12 N4 P4 -","- C24 H46 Cu2 F12 N4 P4 -","- C48 H92 Cu4 F24 N8 P8 -","2","0.5","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.0386","0.0342","","","0.0893","0.0928","","","","","","1.066","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079360","10.535","0.0004","14.1754","0.0005","18.8638","0.0007","82.406","0.001","81.66","0.001","72.915","0.001","2652.32","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","in manuscript 2b","","","- C41 H64 Cl2 Cu2 F12 N4 P4 -","- C41.001 H64.002 Cl2.002 Cu2 F12 N4 P4 -","- C82.002 H128.004 Cl4.004 Cu4 F24 N8 P8 -","2","1","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.0735","0.0503","","","0.1171","0.1294","","","","","","1.019","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079361","10.3816","0.0007","15.9198","0.0011","23.8645","0.0017","90","","91.222","0.002","90","","3943.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","in manuscript 3","","","- C30 H58 Cu F6 N4 P3 -","- C30 H58 Cu F6 N4 P3 -","- C120 H232 Cu4 F24 N16 P12 -","4","1","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.1005","0.0739","","","0.1748","0.1892","","","","","","1.101","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079362","11.7472","0.0007","19.789","0.0011","14.3583","0.0008","90","","109.438","0.001","90","","3147.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","in manuscript 4a","","","- C24 H46 Br2 Cu2 N4 P2 -","- C24 H46 Br2 Cu2 N4 P2 -","- C96 H184 Br8 Cu8 N16 P8 -","4","1","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.0474","0.03","","","0.0649","0.0702","","","","","","1.016","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079363","12.1724","0.0011","15.224","0.0014","14.9025","0.0014","90","","94.477","0.002","90","","2753.2","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","in manuscript 4b","","","- C44.45 H72.05 Br4 Cl1.55 Cu4 N4 P2 -","- C44.4332 H72.0828 Br4 Cl1.568 Cu4 N4 P2 -","- C88.8664 H144.166 Br8 Cl3.136 Cu8 N8 P4 -","2","0.5","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.0454","0.0325","","","0.0832","0.0879","","","","","","1.039","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079364","24.7326","0.0001","11.3777","0.0002","20.7465","0.0004","90","","112.914","0.001","90","","5377.39","0.15","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","in manuscript 6a","","","- C17 H33 Cl2 Cu F6 N2 P2 -","- C17 H33 Cl2 Cu F6 N2 P2 -","- C136 H264 Cl16 Cu8 F48 N16 P16 -","8","1","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.1274","0.1002","","","0.2733","0.2936","","","","","","1.098","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079365","24.8999","0.0007","25.0763","0.0007","21.3452","0.0006","90","","122.457","0.001","90","","11246","0.6","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","in manuscript 6b","","","- C43.5 H69 Cl3 Cu2 F12 N4 P4 -","- C43.5 H69 Cl3 Cu2 F12 N4 P4 -","- C348 H552 Cl24 Cu16 F96 N32 P32 -","8","1","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.0829","0.0511","","","0.1209","0.1374","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079366","11.6179","0.0007","12.9619","0.0008","16.0697","0.001","80.063","0.001","84.338","0.001","73.271","0.001","2279.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","in manuscript 10a","","","- C32 H52 Cl4 Cu2 F12 N8 P2 -","- C32 H52 Cl4 Cu2 F12 N8 P2 -","- C64 H104 Cl8 Cu4 F24 N16 P4 -","2","1","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.0533","0.0357","","","0.0782","0.0848","","","","","","1.013","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079367","9.7721","0.001","11.8877","0.0012","16.7399","0.0017","85.132","0.002","88.307","0.002","66.628","0.002","1778.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","in manuscript 10b","","","- C32 H56 B2 Cu2 N8 -","- C32 H56 B2 Cu2 N8 -","- C64 H112 B4 Cu4 N16 -","2","1","","Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter","Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)","Organometallics","2012","31","22","8000","","10.1021/om300701u","","","0.71073","MoKα","","0.0695","0.0405","","","0.0883","0.0982","","","","","","0.994","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079368","8.579","0.002","11.799","0.002","14.702","0.003","101.2","0.03","90.71","0.03","91.07","0.03","1459.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Moris-253 (Tatyana)","","","- C16 H16 F2 N2 -","- C16 H16 F2 N2 -","- C64 H64 F8 N8 -","4","2","","Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene","Organometallics","2012","31","21","7404","","10.1021/om300702s","","","0.71073","MoKα","","0.0831","0.0536","","","0.135","0.1482","","","","","","1.052","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079369","11.659","0.002","12.707","0.003","15.017","0.003","93.24","0.02","112.97","0.03","100.56","0.03","1993.4","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Moris-250 (Tatiana)","","","- C24 H20 F2 N2 -","- C24 H20 F2 N2 -","- C96 H80 F8 N8 -","4","2","","Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene","Organometallics","2012","31","21","7404","","10.1021/om300702s","","","0.71073","MoKα","","0.1616","0.075","","","0.1898","0.2191","","","","","","1.051","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079370","8.029","0.002","12.698","0.002","16.824","0.003","90","","97.21","0.03","90","","1701.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Moris-199 (Tatiana)","","","- C16 H8 F10 N2 -","- C16 H8 F10 N2 -","- C64 H32 F40 N8 -","4","1","","Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene","Organometallics","2012","31","21","7404","","10.1021/om300702s","","","0.71073","MoKα","","0.1113","0.0489","","","0.1258","0.1494","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079371","16.809","0.003","16.277","0.003","11.616","0.002","90","","99.09","0.03","90","","3138.2","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Moris-195 (Tatiana)","","","- C16 H7 F9 N2 -","- C16 H7 F9 N2 -","- C128 H56 F72 N16 -","8","1","","Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene","Organometallics","2012","31","21","7404","","10.1021/om300702s","","","0.71073","MoKα","","0.0936","0.0457","","","0.1155","0.1322","","","","","","0.94","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079372","16.37","0.003","10.527","0.002","20.018","0.004","90","","98.81","0.03","90","","3408.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Moris-247 (Tatiana)","","","- C36 H46 N6 Ti -","- C36 H46 N6 Ti -","- C144 H184 N24 Ti4 -","4","1","","Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene","Organometallics","2012","31","21","7404","","10.1021/om300702s","","","0.71073","MoKα","","0.0736","0.0509","","","0.131","0.1398","","","","","","1.056","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079373","11.411","0.002","19.071","0.004","26.934","0.005","101.71","0.03","97.29","0.03","100.2","0.03","5567","2","240","2","240","2","","","","","","","","5","P -1","-P 1","2","Moris-254(Tatyana)","","","- C54 H63 F6 N9 Ti1.5 -","- C54 H63 F6 N9 Ti1.5 -","- C216 H252 F24 N36 Ti6 -","4","2","","Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene","Organometallics","2012","31","21","7404","","10.1021/om300702s","","","0.71073","MoKα","","0.1403","0.0866","","","0.2483","0.2695","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079374","11.929","0.002","17.908","0.003","18.271","0.004","90","","98.15","0.03","90","","3863.7","1.3","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moris-224 (Tatiana)","","","- C36 H26 F20 N6 Ti -","- C36 H26 F20 N6 Ti -","- C144 H104 F80 N24 Ti4 -","4","0.5","","Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene","Organometallics","2012","31","21","7404","","10.1021/om300702s","","","0.71073","MoKα","","0.2288","0.0754","","","0.1504","0.1926","","","","","","0.846","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079375","12.079","0.002","17.913","0.004","18.634","0.004","90","","98.97","0.03","90","","3982.6","1.4","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moris-222 (Tatiana)","","","- C18 H13 F10 N3 Zr0.5 -","- C18 H13 F10 N3 Zr0.5 -","- C144 H104 F80 N24 Zr4 -","8","1","","Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene","Organometallics","2012","31","21","7404","","10.1021/om300702s","","","0.71073","MoKα","","0.0727","0.0428","","","0.092","0.1011","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079376","9.318","0.002","18.306","0.003","24.3","0.004","75.109","0.011","89.514","0.016","84.951","0.013","3989.8","1.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H51 Cl2 N2 O3 P Ru -","- C42 H51 Cl2 N2 O3 P Ru -","- C168 H204 Cl8 N8 O12 P4 Ru4 -","4","2","","Bantreil, Xavier; Poater, Albert; Urbina-Blanco, César A.; Bidal, Yannick D.; Falivene, Laura; Randall, Rebecca A. M.; Cavallo, Luigi; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes","Organometallics","2012","31","21","7415","","10.1021/om300703p","","","0.71073","MoKα","","0.1","0.0778","","","0.1971","0.213","","","","","","1.073","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079377","9.127","0.002","11.772","0.003","21.891","0.006","81.229","0.008","86.571","0.009","76.206","0.008","2256.8","1","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H51 Cl2 N2 O3 P Ru -","- C54 H51 Cl2 N2 O3 P Ru -","- C108 H102 Cl4 N4 O6 P2 Ru2 -","2","1","","Bantreil, Xavier; Poater, Albert; Urbina-Blanco, César A.; Bidal, Yannick D.; Falivene, Laura; Randall, Rebecca A. M.; Cavallo, Luigi; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes","Organometallics","2012","31","21","7415","","10.1021/om300703p","","","0.71073","MoKα","","0.0722","0.0638","","","0.1718","0.1849","","","","","","1.08","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079378","9.7848","0.001","13.5336","0.0013","18.4873","0.0018","90","","90","","90","","2448.2","0.4","208","2","208","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Br2 Cl2 P2 Pt -","- C19 H30 Br2 Cl2 P2 Pt -","- C76 H120 Br8 Cl8 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0261","0.0243","","","0.053","0.0535","","","","","","0.975","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079379","7.3636","0.0012","12.677","0.002","10.2645","0.0017","90","","96.802","0.002","90","","951.4","0.3","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H31 Cl P2 Pt -","- C15 H31 Cl P2 Pt -","- C30 H62 Cl2 P4 Pt2 -","2","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0219","0.0214","","","0.05","0.0503","","","","","","0.963","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079380","15.3682","0.0015","24.952","0.002","26.136","0.003","90","","90","","90","","10022.3","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 Cl7 P2 Pt -","- C27 H47 Cl P2 Pt -","- C324 H564 Cl12 P24 Pt12 -","12","3","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0541","0.0464","","","0.1189","0.1234","","","","","","1.108","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079381","10.7821","0.0015","21.19","0.003","29.56","0.004","90","","90","","90","","6753.7","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H100 Cl8 P6 Pt2 -","- C54 H94 P6 Pt2 -","- C216 H376 P24 Pt8 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0346","0.0313","","","0.0699","0.071","","","","","","1.048","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079382","8.768","0.006","20.341","0.013","21.435","0.014","90","","90","","90","","3823","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl4 P2 Pt -","- C41 H42 Cl4 P2 Pt -","- C164 H168 Cl16 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0306","0.027","","","0.0629","0.0651","","","","","","1.033","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079383","19.7843","0.001","19.7843","0.001","10.6175","0.001","90","","90","","90","","4155.9","0.5","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C14 H28 I2 P2 Pt -","- C14 H28 I2 P2 Pt -","- C112 H224 I16 P16 Pt8 -","8","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0287","0.0269","","","0.0586","0.0597","","","","","","0.983","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079384","7.2371","0.0012","12.4943","0.0019","10.087","0.0015","90","","97.173","0.009","90","","905","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H28 Cl2 O0 P2 Pt -","- C14 H28 Cl2 P2 Pt -","- C28 H56 Cl4 P4 Pt2 -","2","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","1.54178","CuKα","","0.0695","0.0644","","","0.1646","0.1693","","","","","","1.001","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079385","10.5443","0.0003","13.0578","0.0005","17.5526","0.0006","90","","90","","90","","2416.74","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl Fe P2 Pt -","- C23 H35 Cl Fe P2 Pt -","- C92 H140 Cl4 Fe4 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0187","0.0176","","","0.0368","0.0371","","","","","","0.872","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079386","10.4386","0.0004","15.8857","0.0007","16.7485","0.0008","70.586","0.001","71.854","0.002","86.595","0.002","2486.11","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H38 P2 Pt -","- C26 H38 P2 Pt -","- C104 H152 P8 Pt4 -","4","4","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0427","0.0342","","","0.0713","0.0765","","","","","","1.065","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079387","8.7104","0.0003","12.5809","0.0004","20.3999","0.0007","90","","90","","90","","2235.52","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cl P2 Pt -","- C20 H33 Cl P2 Pt -","- C80 H132 Cl4 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0182","0.0171","","","0.0396","0.0401","","","","","","0.951","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079388","12.2108","0.0005","13.9863","0.0006","16.1809","0.0007","90","","90","","90","","2763.4","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl Fe P2 Pt -","- C28 H37 Cl Fe P2 Pt -","- C112 H148 Cl4 Fe4 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0396","0.033","","","0.0715","0.0742","","","","","","1.044","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079389","14.8407","0.0005","15.1053","0.0005","18.7324","0.0007","87.778","0.001","89.739","0.001","83.582","0.001","4169.8","0.3","153","2","153","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H69 Al2 Li O6.25 Ru2 -","- C31.999 H68.61 Al2 Li O6.247 Ru2 -","- C127.996 H274.44 Al8 Li4 O24.988 Ru8 -","4","2","","Plois, Markus; Wiegand, Thomas; Wolf, Robert","Novel Ruthenium(II) Aluminate Anions: Building Blocks of Unique Cage Structures","Organometallics","2012","31","24","8469","","10.1021/om300705x","","","0.71073","MoKα","","0.0371","0.0272","","","0.0612","0.0654","","","","","","1.006","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079390","22.3854","0.0008","19.9019","0.0007","21.7509","0.0008","90","","93.43","0.001","90","","9672.9","0.6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H165 Al4 Li5 O2 Ru6 -","- C84 H165 Al4 Li5 O2 Ru6 -","- C336 H660 Al16 Li20 O8 Ru24 -","4","0.5","","Plois, Markus; Wiegand, Thomas; Wolf, Robert","Novel Ruthenium(II) Aluminate Anions: Building Blocks of Unique Cage Structures","Organometallics","2012","31","24","8469","","10.1021/om300705x","","","0.71073","MoKα","","0.0318","0.0264","","","0.0641","0.0666","","","","","","1.019","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079391","11.5104","0.0005","11.901","0.0005","12.574","0.0006","67.787","0.001","64.653","0.001","69.865","0.001","1406.45","0.11","153","2","153","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H94 Al4 Li4 O4 Ru2 -","- C44 H94 Al4 Li4 O4 Ru2 -","- C44 H94 Al4 Li4 O4 Ru2 -","1","0.5","","Plois, Markus; Wiegand, Thomas; Wolf, Robert","Novel Ruthenium(II) Aluminate Anions: Building Blocks of Unique Cage Structures","Organometallics","2012","31","24","8469","","10.1021/om300705x","","","0.71073","MoKα","","0.0565","0.0386","","","0.0929","0.1047","","","","","","0.799","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079392","12.593","0.0012","13.4952","0.0013","18.7452","0.0018","90","","105.334","0.001","90","","3072.2","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H104 Al4 Li4 O4 Ru2 -","- C48 H104 Al4 Li4 O4 Ru2 -","- C96 H208 Al8 Li8 O8 Ru4 -","2","0.5","","Plois, Markus; Wiegand, Thomas; Wolf, Robert","Novel Ruthenium(II) Aluminate Anions: Building Blocks of Unique Cage Structures","Organometallics","2012","31","24","8469","","10.1021/om300705x","","","0.71073","MoKα","","0.0552","0.0367","","","0.0943","0.1026","","","","","","1.043","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079393","9.966","0.0013","12.9095","0.0016","13.849","0.0017","70.246","0.002","83.665","0.002","86.005","0.002","1665.7","0.4","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H112 Al4 Li4 O4 Ru2 -","- C52 H112 Al4 Li4 O4 Ru2 -","- C52 H112 Al4 Li4 O4 Ru2 -","1","0.5","","Plois, Markus; Wiegand, Thomas; Wolf, Robert","Novel Ruthenium(II) Aluminate Anions: Building Blocks of Unique Cage Structures","Organometallics","2012","31","24","8469","","10.1021/om300705x","","","0.71073","MoKα","","0.0486","0.0396","","","0.1088","0.1168","","","","","","1.029","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079394","15.79","0.003","10.083","0.002","21.042","0.004","90","","106.49","0.03","90","","3212.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co F6 P -","- C40 H30 Co F6 P -","- C160 H120 Co4 F24 P4 -","4","1","","Dabek, Sven; Prosenc, Marc Heinrich; Heck, Jürgen","Dipolar Sesquifulvalene Compounds with (Tetraaryl-η4-cyclobutadiene)(η5- cyclopentadienediyl)cobalt(I) Complex Units as Electron Donors","Organometallics","2012","31","19","6911","","10.1021/om300710x","","","0.71073","MoKα","","0.0724","0.0446","","","0.0964","0.1075","","","","","","1.013","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079395","11.969","0.002","12.806","0.003","13.689","0.003","86.24","0.03","79.13","0.03","88.55","0.03","2055.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 Cl2 Co F6 P -","- C47 H42 Cl2 Co F6 P -","- C94 H84 Cl4 Co2 F12 P2 -","2","1","","Dabek, Sven; Prosenc, Marc Heinrich; Heck, Jürgen","Dipolar Sesquifulvalene Compounds with (Tetraaryl-η4-cyclobutadiene)(η5- cyclopentadienediyl)cobalt(I) Complex Units as Electron Donors","Organometallics","2012","31","19","6911","","10.1021/om300710x","","","0.71073","MoKα","","0.1388","0.0667","","","0.1316","0.1582","","","","","","0.936","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079396","9.6762","0.0002","17.4964","0.0004","9.9031","0.0002","90","","115.002","0.001","90","","1519.47","0.06","193","2","193","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H26 Cu2 N4 S2 -","- C36 H26 Cu2 N4 S2 -","- C72 H52 Cu4 N8 S4 -","2","0.5","","Chen, Chaohuang; Weng, Zhiqiang; Hartwig, John F.","Synthesis of Copper(I) Thiolate Complexes in the Thioetherification of Aryl Halides.","Organometallics","2012","31","22","8031","8037","10.1021/om300711c","","","0.71073","MoKα","","0.0367","0.0279","","","0.072","0.0761","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079397","19.072","0.003","19.072","0.003","54.419","0.016","90","","90","","120","","17142","6","193","2","193","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C130 H122 Cu4 K2 N12 O S6 -","- C130 H122 Cu4 K2 N12 O S6 -","- C780 H732 Cu24 K12 N72 O6.00001 S36 -","6","0.333333","","Chen, Chaohuang; Weng, Zhiqiang; Hartwig, John F.","Synthesis of Copper(I) Thiolate Complexes in the Thioetherification of Aryl Halides.","Organometallics","2012","31","22","8031","8037","10.1021/om300711c","","","0.71073","MoKα","","0.0697","0.0381","","","0.0922","0.1019","","","","","","0.971","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079398","13.8442","0.0009","17.2651","0.0011","16.271","0.001","90","","98.546","0.001","90","","3845.9","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Ge2 P2 Pt -","- C41 H44 Ge2 P2 Pt -","- C164 H176 Ge8 P8 Pt4 -","4","1","","Arii, Hidekazu; Hashimoto, Rei; Mochida, Kunio; Kawashima, Takayuki","Syntheses of Di- and Trinuclear Platinum Complexes with Multibridged Germanium Centers Derived from Unsymmetrical Digermanes","Organometallics","2012","31","18","6635","","10.1021/om3007147","","","0.71073","MoKα","","0.027","0.021","","","0.0437","0.0453","","","","","","1.026","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079399","9.9454","0.0011","25.845","0.003","12.3586","0.0013","90","","106.687","0.001","90","","3042.9","0.6","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C67 H68 Ge3 P4 Pt2 -","- C67 H68 Ge3 P4 Pt2 -","- C134 H136 Ge6 P8 Pt4 -","2","0.5","","Arii, Hidekazu; Hashimoto, Rei; Mochida, Kunio; Kawashima, Takayuki","Syntheses of Di- and Trinuclear Platinum Complexes with Multibridged Germanium Centers Derived from Unsymmetrical Digermanes","Organometallics","2012","31","18","6635","","10.1021/om3007147","","","0.71073","MoKα","","0.0334","0.0276","","","0.0622","0.0646","","","","","","1.054","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079400","11.7251","0.0015","24.701","0.003","11.8731","0.0015","90","","113.173","0.002","90","","3161.3","0.7","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C70 H74 Ge3 P4 Pt2 -","- C70 H74 Ge3 P4 Pt2 -","- C140 H148 Ge6 P8 Pt4 -","2","0.5","","Arii, Hidekazu; Hashimoto, Rei; Mochida, Kunio; Kawashima, Takayuki","Syntheses of Di- and Trinuclear Platinum Complexes with Multibridged Germanium Centers Derived from Unsymmetrical Digermanes","Organometallics","2012","31","18","6635","","10.1021/om3007147","","","0.71073","MoKα","","0.0388","0.0265","","","0.0544","0.0579","","","","","","1.027","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079401","14.0094","0.0015","14.8242","0.0016","25.231","0.003","82.319","0.001","76.68","0.001","64.661","0.001","4604.7","0.9","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H106 Ge3 P6 Pt3 -","- C102 H106 Ge3 P6 Pt3 -","- C204 H212 Ge6 P12 Pt6 -","2","1","","Arii, Hidekazu; Hashimoto, Rei; Mochida, Kunio; Kawashima, Takayuki","Syntheses of Di- and Trinuclear Platinum Complexes with Multibridged Germanium Centers Derived from Unsymmetrical Digermanes","Organometallics","2012","31","18","6635","","10.1021/om3007147","","","0.71073","MoKα","","0.0424","0.0371","","","0.0886","0.0909","","","","","","1.079","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079402","14.8891","0.0016","15.1772","0.0016","47.112","0.005","90","","97.119","0.001","90","","10564.1","1.9","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H108 Ge P8 Pt4 -","- C116 H108 Ge P8 Pt4 -","- C464 H432 Ge4 P32 Pt16 -","4","1","","Arii, Hidekazu; Hashimoto, Rei; Mochida, Kunio; Kawashima, Takayuki","Syntheses of Di- and Trinuclear Platinum Complexes with Multibridged Germanium Centers Derived from Unsymmetrical Digermanes","Organometallics","2012","31","18","6635","","10.1021/om3007147","","","0.71073","MoKα","","0.0666","0.0572","","","0.135","0.1397","","","","","","1.071","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079403","11.8772","0.0012","12.1298","0.0012","12.4458","0.0012","99.166","0.001","115.536","0.001","91.197","0.001","1589.1","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Br Cl2 P2 -","- C35 H31 Br Cl2 P2 -","- C70 H62 Br2 Cl4 P4 -","2","1","","Hussain, Riaz; Fowler, Kevin G.; Sauriol, Francoise; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis and Ruthenium Coordination Complexes of the Chelating Phosphine Phosphonium-1-indenylide 1,1-Bis(diphenylphosphino)methane-1-indenylide,1-C9H6Ph2PCH2PPh2","Organometallics","2012","31","19","6926","","10.1021/om300715a","","","0.71073","MoKα","","0.031","0.0269","","","0.0705","0.0727","","","","","","1.046","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079404","10.9216","0.0005","11.6984","0.0005","12.2897","0.0005","94.046","0.004","114.453","0.003","105.143","0.003","1350.89","0.11","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 P2 -","- C34 H28 P2 -","- C68 H56 P4 -","2","1","","Hussain, Riaz; Fowler, Kevin G.; Sauriol, Francoise; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis and Ruthenium Coordination Complexes of the Chelating Phosphine Phosphonium-1-indenylide 1,1-Bis(diphenylphosphino)methane-1-indenylide,1-C9H6Ph2PCH2PPh2","Organometallics","2012","31","19","6926","","10.1021/om300715a","","","0.71073","MoKα","","0.0758","0.0495","","","0.1119","0.1286","","","","","","1.052","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079405","14.205","0.005","13.076","0.005","56.49","0.02","90","","96.721","0.007","90","","10421","7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H117 Cl2 N2 P Ru -","- C138 H117 Cl2 N2 P Ru -","- C552 H468 Cl8 N8 P4 Ru4 -","4","1","","Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr","Organometallics","2012","31","18","6514","","10.1021/om300719t","","","0.71075","MoKα","","","0.1527","","","","0.2984","","","","","","1.231","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079406","44.082","0.005","44.082","0.005","22.826","0.003","90","","90","","120","","38413","8","93","","93","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C89 H71 Cl2 N3 Ru -","- C89 H71 Cl2 N3 Ru -","- C1602 H1278 Cl36 N54 Ru18 -","18","1","","Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr","Organometallics","2012","31","18","6514","","10.1021/om300719t","","","0.71075","MoKα","","","0.1234","","","","0.3644","","","","","","1.229","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079407","12.4832","0.0019","19.696","0.003","20.977","0.004","90","","96.841","0.003","90","","5120.9","1.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H61 Cl2 N2 P Ru -","- C60 H61 Cl2 N2 P Ru -","- C240 H244 Cl8 N8 P4 Ru4 -","4","2","","Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr","Organometallics","2012","31","18","6514","","10.1021/om300719t","","","0.71075","MoKα","","","0.0768","","","","0.1813","","","","","","1.122","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079408","12.73","0.003","20.795","0.005","15.631","0.004","90","","93.758","0.003","90","","4128.9","1.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 Cl2 N3 Ru -","- C47 H51 Cl2 N3 Ru -","- C188 H204 Cl8 N12 Ru4 -","4","1","","Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr","Organometallics","2012","31","18","6514","","10.1021/om300719t","","","0.71075","MoKα","","","0.0561","","","","0.1629","","","","","","0.804","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079409","20.3668","0.0019","7.8505","0.0007","18.4305","0.0017","90","","113.018","0.002","90","","2712.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Br N2 O Pd -","- C14 H13 Br N2 O Pd -","- C112 H104 Br8 N16 O8 Pd8 -","8","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0191","0.0183","","","0.0462","0.0466","","","","","","1.075","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079410","10.0709","0.0007","15.5194","0.0011","22.5797","0.0016","90","","90","","90","","3529.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Cl N2 O4 Pd -","- C17 H19 Cl N2 O4 Pd -","- C136 H152 Cl8 N16 O32 Pd8 -","8","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0312","0.0295","","","0.0606","0.0614","","","","","","1.15","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079411","10.8421","0.0009","19.6837","0.0017","15.0237","0.0013","90","","92.141","0.002","90","","3204","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Cl N2 O5 P Pd -","- C35 H34 Cl N2 O5 P Pd -","- C140 H136 Cl4 N8 O20 P4 Pd4 -","4","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0331","0.0323","","","0.0717","0.0722","","","","","","1.175","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079412","9.3813","0.0012","10.4728","0.0013","11.4417","0.0014","72.852","0.002","74.904","0.002","77.015","0.002","1023.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H21 Cl N2 O5 Pd S -","- C19 H21 Cl N2 O5 Pd S -","- C38 H42 Cl2 N4 O10 Pd2 S2 -","2","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0248","0.0232","","","0.0561","0.057","","","","","","1.088","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079413","10.2779","0.0008","12.5537","0.0011","15.3386","0.0012","100.811","0.002","107.447","0.002","103.935","0.002","1758.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H31 Cl2 F3 N4 O7 Pd2 S -","- C32 H31 Cl2 F3 N4 O7 Pd2 S -","- C64 H62 Cl4 F6 N8 O14 Pd4 S2 -","2","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0239","0.0225","","","0.054","0.0548","","","","","","1.085","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079414","8.3594","0.0008","17.8281","0.0017","14.2296","0.0013","90","","104.731","0.002","90","","2051","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl N3 O Pd -","- C23 H22 Cl N3 O Pd -","- C92 H88 Cl4 N12 O4 Pd4 -","4","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0286","0.0253","","","0.058","0.0595","","","","","","1.042","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079415","10.2224","0.0006","10.3319","0.0006","11.0733","0.0006","62.387","0.002","82.022","0.002","72.919","0.002","990.6","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl N2 O5 Pd -","- C20 H19 Cl N2 O5 Pd -","- C40 H38 Cl2 N4 O10 Pd2 -","2","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0235","0.0225","","","0.0555","0.056","","","","","","1.085","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079416","18.108","0.003","19.588","0.003","37.948","0.005","90","","90","","90","","13460","4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H61 Cl6 N3 Pd -","- C75 H61 Cl6 N3 Pd -","- C600 H488 Cl48 N24 Pd8 -","8","1","","Chartoire, Anthony; Frogneux, Xavier; Boreux, Arnaud; Slawin, Alexandra M. Z.; Nolan, Steven P.","[Pd(IPr*)(3-Cl-pyridinyl)Cl2]: A Novel and Efficient PEPPSI Precatalyst","Organometallics","2012","31","19","6947","","10.1021/om300725f","","","0.71073","MoKα","","0.1312","0.0951","","","0.2578","0.2944","","","","","","1.016","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079417","10.0228","0.0004","12.6787","0.0005","12.7306","0.0005","116.493","0.004","97.845","0.003","104.747","0.004","1340.47","0.12","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Fe N O2 P S2 -","- C30 H28 Fe N O2 P S2 -","- C60 H56 Fe2 N2 O4 P2 S4 -","2","1","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.0311","0.0249","","","0.0643","0.0663","","","","","","1.038","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079418","11.8165","0.0005","13.9301","0.0004","23.5141","0.0008","90","","95.8","0.003","90","","3850.7","0.2","180","2","180","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C81 H86 Cl6 Fe2 N2 O4 P2 Ru2 S2 -","- C81 H86 Cl6 Fe2 N2 O4 P2 Ru2 S2 -","- C162 H172 Cl12 Fe4 N4 O8 P4 Ru4 S4 -","2","0.5","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.0364","0.0266","","","0.063","0.0664","","","","","","1.034","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079419","9.9385","0.0003","19.6894","0.0005","10.2648","0.0003","90","","98.824","0.003","90","","1984.87","0.1","180","2","180","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C41 H45 Cl4 Fe N O2 P Rh S -","- C41 H45 Cl4 Fe N O2 P Rh S -","- C82 H90 Cl8 Fe2 N2 O4 P2 Rh2 S2 -","2","1","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.0341","0.0311","","","0.071","0.0731","","","","","","1.026","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079420","10.1408","0.0005","14.7064","0.0006","33.421","0.003","90","","90","","90","","4984.2","0.5","180","2","180","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl2 Fe N O2 P Rh S -","- C41 H45 Cl2 Fe N O2 P Rh S -","- C164 H180 Cl8 Fe4 N4 O8 P4 Rh4 S4 -","4","1","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.1017","0.0793","","","0.1789","0.1903","","","","","","1.074","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079421","9.9185","0.0002","19.7296","0.0004","10.2736","0.0002","90","","98.624","0.002","90","","1987.69","0.07","180","2","180","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C41 H45 Cl4 Fe Ir N O2 P S -","- C41 H45 Cl4 Fe Ir N O2 P S -","- C82 H90 Cl8 Fe2 Ir2 N2 O4 P2 S2 -","2","1","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.0285","0.0261","","","0.0517","0.0528","","","","","","1.042","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079422","10.0011","0.0002","22.5752","0.0004","17.2737","0.0003","90","","95.006","0.002","90","","3885.12","0.12","180","2","180","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 Cl3 Fe Ir N O2 P S -","- C41 H44 Cl3 Fe Ir N O2 P S -","- C164 H176 Cl12 Fe4 Ir4 N4 O8 P4 S4 -","4","1","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.0449","0.0328","","","0.0699","0.0751","","","","","","1.046","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079423","20.4859","0.0014","20.5346","0.0013","21.81","0.002","98.585","0.005","106.028","0.005","116.8","0.003","7459.4","1.1","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C132 H92 Al2 Cl4 Cr2 F72 N4 O8 P8 -","- C132 H92 Al2 Cl4 Cr2 F72 N4 O8 P8 -","- C264 H184 Al4 Cl8 Cr4 F144 N8 O16 P16 -","2","1","","Stennett, Tom E.; Haddow, Mairi F.; Wass, Duncan F.","Avoiding MAO: Alternative Activation Methods in Selective Ethylene Oligomerization","Organometallics","2012","31","19","6960","","10.1021/om300739m","","","0.71073","MoKα","","0.1572","0.0744","","","0.1617","0.1998","","","","","","1.026","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079424","19.9277","0.0005","30.3587","0.0007","13.5975","0.0003","90","","90","","90","","8226.2","0.3","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C76 H48 Al Cl2 Cr F36 O4 P4 -","- C76 H48 Al Cl2 Cr F36 O4 P4 -","- C304 H192 Al4 Cl8 Cr4 F144 O16 P16 -","4","0.5","","Stennett, Tom E.; Haddow, Mairi F.; Wass, Duncan F.","Avoiding MAO: Alternative Activation Methods in Selective Ethylene Oligomerization","Organometallics","2012","31","19","6960","","10.1021/om300739m","","","0.71073","MoKα","","0.095","0.0663","","","0.1641","0.1839","","","","","","1.024","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079425","18.9938","0.0007","26.2607","0.001","26.82","0.0011","101.273","0.002","96.016","0.002","109.868","0.002","12124","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C198 H148 Al2 Cl2 Cr2 F144 N4 O32 P8 -","- C198 H148 Al4 Cl2 Cr2 F144 N4 O32 P8 -","- C396 H296 Al8 Cl4 Cr4 F288 N8 O64 P16 -","2","1","","Stennett, Tom E.; Haddow, Mairi F.; Wass, Duncan F.","Avoiding MAO: Alternative Activation Methods in Selective Ethylene Oligomerization","Organometallics","2012","31","19","6960","","10.1021/om300739m","","","0.71073","MoKα","","0.151","0.1177","","","0.3096","0.3458","","","","","","1.025","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079426","7.623","0.0008","9.628","0.0017","11.667","0.001","91.53","0.009","108.049","0.004","109.394","0.011","759.9","0.18","198","","198","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 I N2 S -","- C16 H13 I N2 S -","- C32 H26 I2 N4 S2 -","2","1","","Tronnier, Alexander; Risler, Anita; Langer, Nicolle; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","A Phosphorescent C∧C* Cyclometalated Platinum(II) Dibenzothiophene NHC Complex","Organometallics","2012","31","21","7447","","10.1021/om300740d","","x-ray","0.71073","MoKα","","0.0405","0.0233","","","0.0555","0.0588","","","","","","1.142","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079427","10.698","0.0011","12.719","0.0013","13.575","0.0014","90","","93.332","0.009","90","","1844","0.3","198","","198","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 Pt S -","- C21 H18 N2 O2 Pt S -","- C84 H72 N8 O8 Pt4 S4 -","4","1","","Tronnier, Alexander; Risler, Anita; Langer, Nicolle; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","A Phosphorescent C∧C* Cyclometalated Platinum(II) Dibenzothiophene NHC Complex","Organometallics","2012","31","21","7447","","10.1021/om300740d","","x-ray","0.71073","MoKα","","0.0809","0.033","","","0.05","0.0572","","","","","","1.058","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079428","10.9969","0.0005","14.8174","0.0006","14.7423","0.0006","90","","109.878","0.002","90","","2259.07","0.17","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 N O Si W -","- C21 H39 N O Si W -","- C84 H156 N4 O4 Si4 W4 -","4","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by a Tungsten Trimethylsilylallyl Complex","Organometallics","2012","31","21","7453","","10.1021/om300742y","","","0.71073","MoKα","","0.02","0.0165","","","0.0372","0.0383","","","","","","1.017","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079429","15.367","0.005","9.883","0.003","30.526","0.009","90","","103.876","0.01","90","","4501","2","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H36 N O P Si W -","- C19 H36 N O P Si W -","- C152 H288 N8 O8 P8 Si8 W8 -","8","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by a Tungsten Trimethylsilylallyl Complex","Organometallics","2012","31","21","7453","","10.1021/om300742y","","","0.71073","MoKα","","0.0269","0.0211","","","0.0416","0.0434","","","","","","1.039","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079430","22.9694","0.0008","9.2914","0.0004","21.8178","0.0008","90","","96.48","0.002","90","","4626.6","0.3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 N O Si W -","- C22 H37 N O Si W -","- C176 H296 N8 O8 Si8 W8 -","8","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by a Tungsten Trimethylsilylallyl Complex","Organometallics","2012","31","21","7453","","10.1021/om300742y","","","0.71073","MoKα","","0.022","0.018","","","0.0365","0.0375","","","","","","1.046","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079431","12.1444","0.0003","11.495","0.0004","17.3264","0.0006","90","","104.265","0.001","90","","2344.18","0.13","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 N O2 Si W -","- C22 H39 N O2 Si W -","- C88 H156 N4 O8 Si4 W4 -","4","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by a Tungsten Trimethylsilylallyl Complex","Organometallics","2012","31","21","7453","","10.1021/om300742y","","","0.71073","MoKα","","0.0241","0.0204","","","0.0521","0.0539","","","","","","1.043","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079432","11.045","0.002","14.93","0.003","14.878","0.003","90","","109.992","0.005","90","","2305.6","0.8","278","2","278","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Mo N O Si -","- C21 H39 Mo N O Si -","- C84 H156 Mo4 N4 O4 Si4 -","4","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by a Tungsten Trimethylsilylallyl Complex","Organometallics","2012","31","21","7453","","10.1021/om300742y","","","0.71073","MoKα","","0.0721","0.0361","","","0.0724","0.084","","","","","","0.991","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079433","15.4189","0.0013","9.9407","0.0008","30.681","0.003","90","","103.953","0.004","90","","4563.9","0.7","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H36 Mo N O P Si -","- C19 H36 Mo N O P Si -","- C152 H288 Mo8 N8 O8 P8 Si8 -","8","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by a Tungsten Trimethylsilylallyl Complex","Organometallics","2012","31","21","7453","","10.1021/om300742y","","","0.71073","MoKα","","0.058","0.0362","","","0.0669","0.0734","","","","","","1.02","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079434","10.22","0.0018","11.454","0.002","16.325","0.003","96.948","0.002","92.494","0.002","108.046","0.003","1797","0.6","110","2","110","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C36 H44 B Cl2 F4 Mo2 P S -","- C36 H44 B Cl2 F4 Mo2 P S -","- C72 H88 B2 Cl4 F8 Mo4 P2 S2 -","2","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Menéndez, Sonia; Ruiz, Miguel A.","Reversible P‒C Coupling Reactions at the Unsaturated Dimolybdenum Carbyne Complex [Mo2(η5-C5H5)2(CPh)(μ-PCy2)(μ-SPh)(CO)]+","Organometallics","2012","31","20","7181","","10.1021/om300743q","","x-ray","0.71073","MoKα","","0.0851","0.0544","","","0.1279","0.1379","","","","","","1.017","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079435","11.8512","0.0004","17.6687","0.0005","18.4243","0.0005","90","","96.582","0.002","90","","3832.5","0.2","100","0.1","100","0.1","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 B Cl2 F4 Mo2 O2 P S -","- C37 H46 B Cl2 F4 Mo2 O2 P S -","- C148 H184 B4 Cl8 F16 Mo8 O8 P4 S4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Menéndez, Sonia; Ruiz, Miguel A.","Reversible P‒C Coupling Reactions at the Unsaturated Dimolybdenum Carbyne Complex [Mo2(η5-C5H5)2(CPh)(μ-PCy2)(μ-SPh)(CO)]+","Organometallics","2012","31","20","7181","","10.1021/om300743q","","x-ray","0.71073","MoKα","","0.0514","0.0337","","","0.0678","0.0734","","","","","","1.058","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079436","17.9615","0.0011","18.9579","0.0011","26.2634","0.0011","90","","131.147","0.003","90","","6734.3","0.7","100","0.1","100","0.1","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H54 B F24 Mo2 O3 P S -","- C70 H54 B F24 Mo2 O3 P S -","- C280 H216 B4 F96 Mo8 O12 P4 S4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Menéndez, Sonia; Ruiz, Miguel A.","Reversible P‒C Coupling Reactions at the Unsaturated Dimolybdenum Carbyne Complex [Mo2(η5-C5H5)2(CPh)(μ-PCy2)(μ-SPh)(CO)]+","Organometallics","2012","31","20","7181","","10.1021/om300743q","","x-ray","0.71073","MoKα","","0.209","0.093","","","0.1437","0.1929","","","","","","1.025","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079437","15.0578","0.0002","11.5827","0.0002","19.9833","0.0003","90","","103.279","0.001","90","","3392.1","0.09","100","","100","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 B F4 Mo2 O2 P S -","- C37 H42 B F4 Mo2 O2 P S -","- C148 H168 B4 F16 Mo8 O8 P4 S4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Menéndez, Sonia; Ruiz, Miguel A.","Reversible P‒C Coupling Reactions at the Unsaturated Dimolybdenum Carbyne Complex [Mo2(η5-C5H5)2(CPh)(μ-PCy2)(μ-SPh)(CO)]+","Organometallics","2012","31","20","7181","","10.1021/om300743q","","x-ray","1.54184","CuKα","","0.0574","0.0491","","","0.1231","0.1296","","","","","","1.017","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079438","6.194","0.0012","12.771","0.003","15.952","0.003","90","","99.188","0.005","90","","1245.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cr N -","- C14 H17 Cr N -","- C56 H68 Cr4 N4 -","4","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0522","0.0373","","","0.0836","0.0894","","","","","","1.025","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079439","14.8173","0.0005","9.6377","0.0003","15.6977","0.0006","90","","90","","90","","2241.71","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H27 Cr N -","- C28 H27 Cr N -","- C112 H108 Cr4 N4 -","4","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0513","0.0361","","","0.0702","0.0766","","","","","","1.022","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079440","11.8637","0.0005","14.0753","0.0006","12.0754","0.0005","90","","100.629","0.002","90","","1981.81","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cr N O -","- C23 H28 Cr N O -","- C92 H112 Cr4 N4 O4 -","4","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71069","MoKα","","0.078","0.0477","","","0.103","0.1173","","","","","","1.037","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079441","6.6572","0.0001","8.0888","0.0002","31.8456","0.0007","90","","90","","90","","1714.85","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cr N S -","- C20 H22 Cr N S -","- C80 H88 Cr4 N4 S4 -","4","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0376","0.0329","","","0.0757","0.0778","","","","","","1.104","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079442","8.866","0.002","14.856","0.003","8.982","0.002","90","","96.725","0.004","90","","1174.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Cr I N -","- C28 H27 Cr I N -","- C56 H54 Cr2 I2 N2 -","2","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0599","0.0447","","","0.1","0.1074","","","","","","1.019","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079443","8.6032","0.0005","9.9332","0.0005","11.8898","0.0006","70.311","0.002","77.289","0.002","66.086","0.002","870.42","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 Cr N -","- C21 H24 Cr N -","- C42 H48 Cr2 N2 -","2","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0475","0.0347","","","0.082","0.0874","","","","","","1.055","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079444","15.458","0.002","9.149","0.0013","14.479","0.002","90","","90","","90","","2047.7","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H31 Cr2 N -","- C24 H31 Cr2 N -","- C96 H124 Cr8 N4 -","4","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0478","0.0344","","","0.0627","0.0667","","","","","","1.018","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079445","11.5829","0.0005","15.5446","0.0007","17.2558","0.0008","63.609","0.002","81.434","0.003","71.135","0.002","2633.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N4 Pd -","- C18 H26 N4 Pd -","- C108 H156 N24 Pd6 -","6","3","","Tang, Fengzhi; Zhang, Ying; Rath, Nigam P.; Mirica, Liviu M.","Detection of Pd(III) and Pd(IV) Intermediates during the Aerobic Oxidative C‒C Bond Formation from a Pd(II) Dimethyl Complex","Organometallics","2012","31","18","6690","","10.1021/om300752w","","","0.71073","MoKα","","0.0484","0.0297","","","0.0549","0.0606","","","","","","1.01","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079446","14.2427","0.0015","12.4519","0.0013","11.2446","0.0011","90","","90","","90","","1994.2","0.4","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C19 H29 I N4 Pd -","- C19 H29 I N4 Pd -","- C76 H116 I4 N16 Pd4 -","4","0.5","","Tang, Fengzhi; Zhang, Ying; Rath, Nigam P.; Mirica, Liviu M.","Detection of Pd(III) and Pd(IV) Intermediates during the Aerobic Oxidative C–C Bond Formation from a Pd(II) Dimethyl Complex","Organometallics","2012","31","18","6690","","10.1021/om300752w","","","0.71073","MoKα","","0.028","0.0243","","","0.053","0.0544","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4079447","16.6441","0.0006","17.5923","0.0006","16.9473","0.0006","90","","109.863","0.0004","90","","4667.1","0.3","88","2","88","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 U -","- C26 H40 U -","- C208 H320 U8 -","8","2","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Synthesis and CO2 Insertion Reactivity of Allyluranium Metallocene Complexes","Organometallics","2012","31","20","7191","","10.1021/om3007536","","","0.71073","MoKα","","0.0247","0.021","","","0.0502","0.0514","","","","","","1.031","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079448","8.459","0.0008","17.0606","0.0016","16.0282","0.0015","90","","101.371","0.001","90","","2267.7","0.4","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 Cl U -","- C24 H37 Cl U -","- C96 H148 Cl4 U4 -","4","1","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Synthesis and CO2Insertion Reactivity of Allyluranium Metallocene Complexes","Organometallics","2012","31","20","7191","","10.1021/om3007536","","","0.71073","MoKα","","0.0281","0.0214","","","0.0501","0.0527","","","","","","1.023","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079449","8.4244","0.0005","20.0795","0.0012","15.6383","0.001","90","","97.9538","0.0006","90","","2619.9","0.3","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 O4 U -","- C28 H40 O4 U -","- C112 H160 O16 U4 -","4","1","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Synthesis and CO2Insertion Reactivity of Allyluranium Metallocene Complexes","Organometallics","2012","31","20","7191","","10.1021/om3007536","","","0.71073","MoKα","","0.0179","0.0159","","","0.0388","0.0395","","","","","","1.032","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079450","16.4323","0.0008","14.4904","0.0007","21.0299","0.001","90","","97.6487","0.0005","90","","4962.9","0.4","88","2","88","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 U -","- C28 H44 U -","- C224 H352 U8 -","8","1","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Synthesis and CO2Insertion Reactivity of Allyluranium Metallocene Complexes","Organometallics","2012","31","20","7191","","10.1021/om3007536","","","0.71073","MoKα","","0.0154","0.0136","","","0.0323","0.033","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4079451","10.8748","0.0006","15.8693","0.0013","16.3526","0.0011","90","","91.214","0.005","90","","2821.4","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cl2 Li2 N4 O8 P2 Pd2 S2 -","- C52 H62 Cl2 Li2 N4 O8 P2 Pd2 S2 -","- C104 H124 Cl4 Li4 N8 O16 P4 Pd4 S4 -","2","0.5","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.0929","0.0533","","","0.1083","0.121","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079452","10.8529","0.0005","12.9377","0.0005","20.5399","0.0011","90","","98.446","0.004","90","","2852.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N3 O3 P Pd S -","- C30 H34 N3 O3 P Pd S -","- C120 H136 N12 O12 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.05","0.0349","","","0.0706","0.0747","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079453","14.7264","0.0008","15.5116","0.0008","15.8485","0.0008","73.728","0.004","85.791","0.004","89.685","0.004","3465.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.25 H40 N3 O5 P Pd S -","- C35.25 H40 N3 O5 P Pd S -","- C141 H160 N12 O20 P4 Pd4 S4 -","4","2","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.0816","0.0439","","","0.0781","0.086","","","","","","0.963","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079454","15.8625","0.0006","14.5073","0.0003","22.3982","0.0009","90","","132.939","0.002","90","","3773.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 N3 O3 P Pd S -","- C41 H50 N3 O3 P Pd S -","- C164 H200 N12 O12 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.0412","0.028","","","0.0569","0.0598","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079455","13.8229","0.0006","13.5851","0.0004","17.0924","0.0007","90","","109.842","0.003","90","","3019.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N3 O3 P Pd S -","- C32 H38 N3 O3 P Pd S -","- C128 H152 N12 O12 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.039","0.0287","","","0.0634","0.0673","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079456","33.6384","0.0011","12.4052","0.0005","18.2456","0.0006","90","","108.64","0.002","90","","7214.4","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H51 N2 O4 P Pd S2 -","- C35 H51 N2 O4 P Pd S2 -","- C280 H408 N16 O32 P8 Pd8 S16 -","8","1","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.0432","0.0324","","","0.0664","0.0695","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079457","17.9943","0.0008","11.7637","0.0004","24.813","0.0011","90","","133.528","0.002","90","","3808.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N3 O3 P Pd S -","- C40 H54 N3 O3 P Pd S -","- C160 H216 N12 O12 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.0502","0.0353","","","0.0675","0.0712","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079458","17.9735","0.0007","11.2607","0.0003","18.2288","0.0007","90","","94.484","0.003","90","","3678.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 N3 O3 P Pd S -","- C38 H50 N3 O3 P Pd S -","- C152 H200 N12 O12 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.034","0.0268","","","0.0456","0.0461","","","","","","1.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079459","18.0006","0.0007","11.2854","0.0003","24.3809","0.0009","90","","131.405","0.002","90","","3714.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H52 N3 O3 P Pd S -","- C39 H52 N3 O3 P Pd S -","- C156 H208 N12 O12 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.033","0.0249","","","0.0603","0.0619","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079460","10.6341","0.0007","11.1581","0.0007","13.476","0.0009","78.501","0.005","86.039","0.006","72.151","0.005","1491.44","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H68 N6 O6 P2 Pd2 S2 -","- C63 H68 N6 O6 P2 Pd2 S2 -","- C63 H68 N6 O6 P2 Pd2 S2 -","1","0.5","","Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan","Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes","Organometallics","2012","31","24","8505","","10.1021/om300755j","","","0.71073","MoKα","","0.0396","0.0316","","","0.0854","0.0871","","","","","","1.202","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079461","23.524","0.014","18.027","0.014","17.301","0.015","90","","125.36","0.02","90","","5983","8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cl2 N2 O4 Zr -","- C44 H52 Cl2 N2 O4 Zr -","- C176 H208 Cl8 N8 O16 Zr4 -","4","0.5","","Shi, Xiao-Chao; Jin, Guo-Xin","Titanium and Zirconium Catalysts with [N,O] Ligands: Syntheses, Characterization, and Their Catalytic Properties for Olefin Polymerization","Organometallics","2012","31","20","7198","","10.1021/om3007568","","","0.71073","MoKα","","0.1138","0.0716","","","0.1674","0.1867","","","","","","0.916","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079462","23.285","0.004","17.774","0.003","17.224","0.005","90","","125.335","0.002","90","","5815","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Cl4 N2 O4 Zr -","- C42 H46 Cl4 N2 O4 Zr -","- C168 H184 Cl16 N8 O16 Zr4 -","4","0.5","","Shi, Xiao-Chao; Jin, Guo-Xin","Titanium and Zirconium Catalysts with [N,O] Ligands: Syntheses, Characterization, and Their Catalytic Properties for Olefin Polymerization","Organometallics","2012","31","20","7198","","10.1021/om3007568","","","0.71073","MoKα","","0.0876","0.0663","","","0.1823","0.1981","","","","","","0.99","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079463","13.905","0.003","15.981","0.004","16.323","0.004","90","","90","","90","","3627.2","1.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H38 Cl4 N2 O4 Zr -","- C37 H38 Cl4 N2 O4 Zr -","- C148 H152 Cl16 N8 O16 Zr4 -","4","0.5","","Shi, Xiao-Chao; Jin, Guo-Xin","Titanium and Zirconium Catalysts with [N,O] Ligands: Syntheses, Characterization, and Their Catalytic Properties for Olefin Polymerization","Organometallics","2012","31","20","7198","","10.1021/om3007568","","","0.71073","MoKα","","0.1164","0.1046","","","0.2481","0.2525","","","","","","1.356","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079464","16.2341","0.0004","20.9676","0.0004","17.6475","0.0003","90","","105.982","0.001","90","","5774.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 Cl2 N2 O4 Zr -","- C60 H74 Cl2 N2 O4 Zr -","- C240 H296 Cl8 N8 O16 Zr4 -","4","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Titanium and Zirconium Catalysts with [N,O] Ligands: Syntheses, Characterization, and Their Catalytic Properties for Olefin Polymerization","Organometallics","2012","31","20","7198","","10.1021/om3007568","","","1.54178","CuKα","","0.0607","0.0504","","","0.141","0.1479","","","","","","1.073","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079465","9.096","0.003","13.328","0.004","14.479","0.004","97.164","0.005","93.365","0.006","96.972","0.006","1723.9","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H57 Al N4 O2 -","- C35 H57 Al N4 O2 -","- C70 H114 Al2 N8 O4 -","2","1","","Ikpo, Nduka; Barbon, Stephanie M.; Drover, Marcus W.; Dawe, Louise N.; Kerton, Francesca M.","Aluminum Methyl and Chloro Complexes Bearing Monoanionic Aminephenolate Ligands: Synthesis, Characterization, and Use in Polymerizations","Organometallics","2012","31","23","8145","","10.1021/om300757u","","","0.71075","MoKα","","0.054","0.049","","","0.1208","0.1251","","","","","","1.064","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079466","11.663","0.003","13.14","0.004","17.086","0.005","100.407","0.003","108.304","0.004","105.925","0.003","2286.2","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H77 Al N4 O2 -","- C48 H77 Al N4 O2 -","- C96 H154 Al2 N8 O4 -","2","1","","Ikpo, Nduka; Barbon, Stephanie M.; Drover, Marcus W.; Dawe, Louise N.; Kerton, Francesca M.","Aluminum Methyl and Chloro Complexes Bearing Monoanionic Aminephenolate Ligands: Synthesis, Characterization, and Use in Polymerizations","Organometallics","2012","31","23","8145","","10.1021/om300757u","","","0.71075","MoKα","","0.0685","0.0615","","","0.1542","0.1605","","","","","","1.068","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079467","19.976","0.004","13.016","0.003","29.35","0.006","90","","90","","90","","7631","3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H63 Al N2 O4 -","- C39 H63 Al N2 O4 -","- C312 H504 Al8 N16 O32 -","8","1","","Ikpo, Nduka; Barbon, Stephanie M.; Drover, Marcus W.; Dawe, Louise N.; Kerton, Francesca M.","Aluminum Methyl and Chloro Complexes Bearing Monoanionic Aminephenolate Ligands: Synthesis, Characterization, and Use in Polymerizations","Organometallics","2012","31","23","8145","","10.1021/om300757u","","","0.71075","MoKα","","0.2374","0.1224","","","0.2307","0.2881","","","","","","1.038","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079468","17.093","0.005","14.214","0.004","16.467","0.005","90","","95.641","0.003","90","","3981","2","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H62 Al Cl N4 O2 -","- C41 H54 Al Cl N4 O2 -","- C164 H216 Al4 Cl4 N16 O8 -","4","0.5","","Ikpo, Nduka; Barbon, Stephanie M.; Drover, Marcus W.; Dawe, Louise N.; Kerton, Francesca M.","Aluminum Methyl and Chloro Complexes Bearing Monoanionic Aminephenolate Ligands: Synthesis, Characterization, and Use in Polymerizations","Organometallics","2012","31","23","8145","","10.1021/om300757u","","","0.71075","MoKα","","0.0433","0.042","","","0.1216","0.1229","","","","","","1.045","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079469","19.2478","0.0014","19.2478","0.0014","11.0743","0.0017","90","","90","","90","","4102.8","0.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C16 H24 Bi Cl N2 Si2 -","- C16 H24 Bi Cl N2 Si2 -","- C128 H192 Bi8 Cl8 N16 Si16 -","8","1","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0115","0.0114","","","0.0289","0.0289","","","","","","1.093","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079470","14.7574","0.0009","12.922","0.0008","26.8696","0.0017","90","","103.133","0.001","90","","4989.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Bi N2 Si2 -","- C24 H29 Bi N2 Si2 -","- C192 H232 Bi8 N16 Si16 -","8","2","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0228","0.0201","","","0.046","0.0468","","","","","","1.053","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079471","10.2537","0.0004","16.7284","0.0006","17.4001","0.0006","109.393","0.001","101.633","0.001","95.509","0.001","2714.21","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H39 Bi N2 Si2 -","- C26 H39 Bi N2 Si2 -","- C104 H156 Bi4 N8 Si8 -","4","2","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0152","0.0139","","","0.0364","0.0368","","","","","","1.049","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079472","19.0673","0.0009","11.7876","0.0005","19.9582","0.0009","90","","113.246","0.001","90","","4121.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 Bi N2 Si2 -","- C17 H27 Bi N2 Si2 -","- C136 H216 Bi8 N16 Si16 -","8","2","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0187","0.0168","","","0.0402","0.0409","","","","","","1.092","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079473","16.8842","0.0006","10.3368","0.0004","18.4159","0.0007","90","","113.004","0.001","90","","2958.51","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 Bi N5 Si2 -","- C25 H44 Bi N5 Si2 -","- C100 H176 Bi4 N20 Si8 -","4","1","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0198","0.0161","","","0.0338","0.0348","","","","","","1.062","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079474","12.3288","0.0012","13.4105","0.0013","16.9898","0.0016","88.095","0.001","85.964","0.002","78.135","0.001","2741.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 Bi N4 O Si2 -","- C25 H35 Bi N4 O Si2 -","- C100 H140 Bi4 N16 O4 Si8 -","4","2","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0204","0.0164","","","0.033","0.0339","","","","","","1.025","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079475","24.3481","0.0014","12.9325","0.0008","27.2352","0.0016","90","","114.866","0.001","90","","7780.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Bi2 N4 S Si4 -","- C32 H48 Bi2 N4 S Si4 -","- C256 H384 Bi16 N32 S8 Si32 -","8","2","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0228","0.017","","","0.0331","0.0344","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079476","18.0698","0.0013","12.2388","0.0009","17.9147","0.0013","90","","106.637","0.002","90","","3796","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Bi2 N4 Si4 -","- C32 H48 Bi2 N4 Si4 -","- C128 H192 Bi8 N16 Si16 -","4","1","","Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar","Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity","Organometallics","2012","31","18","6697","","10.1021/om300758s","","","0.71073","MoKα","","0.0247","0.0163","","","0.0347","0.0371","","","","","","1.032","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079477","11.1762","0.001","13.775","0.0007","18.7857","0.001","86.154","0.001","87.253","0.002","66.044","0.002","2636.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H66 N4 P2 Si4 Ta2 -","- C48 H66 N4 P2 Si4 Ta2 -","- C96 H132 N8 P4 Si8 Ta4 -","2","1","","Ballmann, Joachim; Pick, Fraser; Castro, Ludovic; Fryzuk, Michael D.; Maron, Laurent","Cleavage of Carbon Monoxide Promoted by a Dinuclear Tantalum Tetrahydride Complex","Organometallics","2012","31","24","8516","","10.1021/om300759p","","","0.71069","MoKα","","0.0317","0.0262","","","0.0679","0.0731","","","","","","1.106","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079478","11.7585","0.001","11.5795","0.0009","37.049","0.003","90","","93.683","0.004","90","","5034.1","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H49 B O P3 Rh -","- C61 H49 B O P3 Rh -","- C244 H196 B4 O4 P12 Rh4 -","4","1","","Kameo, Hajime; Nakazawa, Hiroshi","Synthesis of a Rhodium Complex Featuring the Rh‒H‒B Linkage via a Hydride Migration from Rhodium to Borane: Study on the Electronic Deviation Induced by the Presence of the Boron Moiety","Organometallics","2012","31","21","7476","","10.1021/om300762u","","","0.7107","MoKα","","0.1187","0.0813","","","0.1069","0.1169","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079479","12.6418","0.0005","37.1894","0.0014","22.936","0.001","90","","106.281","0.002","90","","10350.7","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H51 B Cl2 Ir O P3 -","- C62 H51 B Cl2 Ir O P3 -","- C496 H408 B8 Cl16 Ir8 O8 P24 -","8","2","","Kameo, Hajime; Nakazawa, Hiroshi","Synthesis of a Rhodium Complex Featuring the Rh‒H‒B Linkage via a Hydride Migration from Rhodium to Borane: Study on the Electronic Deviation Induced by the Presence of the Boron Moiety","Organometallics","2012","31","21","7476","","10.1021/om300762u","","","0.7107","MoKα","","0.073","0.0632","","","0.1044","0.1087","","","","","","1.28","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079480","9.4001","0.0004","22.2606","0.0009","22.287","0.0009","90","","92.157","0.002","90","","4660.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H49 B P3 Rh -","- C60 H49 B P3 Rh -","- C240 H196 B4 P12 Rh4 -","4","1","","Kameo, Hajime; Nakazawa, Hiroshi","Synthesis of a Rhodium Complex Featuring the Rh‒H‒B Linkage via a Hydride Migration from Rhodium to Borane: Study on the Electronic Deviation Induced by the Presence of the Boron Moiety","Organometallics","2012","31","21","7476","","10.1021/om300762u","","","0.7107","MoKα","","0.0842","0.0627","","","0.1018","0.1128","","","","","","1.16","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079481","35.4431","0.0013","12.4199","0.0005","14.3911","0.0005","90","","90","","90","","6335","0.4","200.1","","200.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C75 H60 O3 P5 Rh3 -","- C75 H60 O3 P5 Rh3 -","- C300 H240 O12 P20 Rh12 -","4","1","","Kameo, Hajime; Nakazawa, Hiroshi","Synthesis of a Rhodium Complex Featuring the Rh‒H‒B Linkage via a Hydride Migration from Rhodium to Borane: Study on the Electronic Deviation Induced by the Presence of the Boron Moiety","Organometallics","2012","31","21","7476","","10.1021/om300762u","","","0.7107","MoKα","","","0.0347","","","","0.0759","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079482","29.8232","0.0018","10.1727","0.0006","15.8503","0.0009","90","","113.733","0.002","90","","4402","0.5","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H33 N O Si W -","- C22 H33 N O Si W -","- C176 H264 N8 O8 Si8 W8 -","8","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Thermal Chemistry of a Tungsten Trimethylsilylallyl Complex in Benzene and Fluorobenzenes","Organometallics","2012","31","23","8159","","10.1021/om300765e","","","0.71073","MoKα","","0.0186","0.0158","","","0.0458","0.0569","","","","","","1.353","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079483","8.4708","0.0007","13.6779","0.0011","19.548","0.0018","90","","97.85","0.005","90","","2243.7","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 N O Si W -","- C22 H33 N O Si W -","- C88 H132 N4 O4 Si4 W4 -","4","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Thermal Chemistry of a Tungsten Trimethylsilylallyl Complex in Benzene and Fluorobenzenes","Organometallics","2012","31","23","8159","","10.1021/om300765e","","","0.71073","MoKα","","0.0451","0.031","","","0.0636","0.0673","","","","","","1.069","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079484","8.6761","0.0004","16.4535","0.0008","16.2203","0.0008","90","","95.15","0.002","90","","2306.14","0.19","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 F5 N O Si W -","- C22 H28 F5 N O Si W -","- C88 H112 F20 N4 O4 Si4 W4 -","4","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Thermal Chemistry of a Tungsten Trimethylsilylallyl Complex in Benzene and Fluorobenzenes","Organometallics","2012","31","23","8159","","10.1021/om300765e","","","0.71073","MoKα","","0.0384","0.0262","","","0.0562","0.0597","","","","","","1.041","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079485","11.4956","0.0007","11.1957","0.0006","17.5205","0.0008","90","","97.53","0.004","90","","2235.5","0.2","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 F2 N O Si W -","- C22 H31 F2 N O Si W -","- C88 H124 F8 N4 O4 Si4 W4 -","4","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Thermal Chemistry of a Tungsten Trimethylsilylallyl Complex in Benzene and Fluorobenzenes","Organometallics","2012","31","23","8159","","10.1021/om300765e","","","0.71073","MoKα","","0.0547","0.0323","","","0.0508","0.0558","","","","","","0.997","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079486","8.5346","0.0007","13.7027","0.0011","19.8752","0.0016","90","","95.591","0.004","90","","2313.3","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 F2 N O Si W -","- C22 H31 F2 N O Si W -","- C88 H124 F8 N4 O4 Si4 W4 -","4","1","","Chow, Catherine; Patrick, Brian O.; Legzdins, Peter","Thermal Chemistry of a Tungsten Trimethylsilylallyl Complex in Benzene and Fluorobenzenes","Organometallics","2012","31","23","8159","","10.1021/om300765e","","","0.71073","MoKα","","0.049","0.0337","","","0.0745","0.0802","","","","","","1.03","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079487","33.0114","0.0013","10.8616","0.0005","23.8287","0.0009","90","","100.914","0.002","90","","8389.4","0.6","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Cl1.1 N4 O2.3 Rh -","- C44 H52 Cl1.079 N4 O2.342 Rh -","- C352 H416 Cl8.632 N32 O18.736 Rh8 -","8","1","","Cipot-Wechsler, Judy; Covelli, Danielle; Praetorius, Jeremy M.; Hearns, Nigel; Zenkina, Olena V.; Keske, Eric C.; Wang, Ruiyao; Kennepohl, Pierre; Crudden, Cathleen M.","Synthesis and Characterization of Cationic Rhodium Peroxo Complexes","Organometallics","2012","31","21","7306","","10.1021/om300766x","","","0.71073","MoKα","","0.0642","0.0426","","","0.0939","0.1039","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079488","32.344","0.003","8.6387","0.0008","33.322","0.003","90","","95.251","0.002","90","","9271.4","1.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 F3 N6 O5 Rh S -","- C46 H58 N6 O2 Rh -","- C368 H464 N48 O16 Rh8 -","8","1","","Cipot-Wechsler, Judy; Covelli, Danielle; Praetorius, Jeremy M.; Hearns, Nigel; Zenkina, Olena V.; Keske, Eric C.; Wang, Ruiyao; Kennepohl, Pierre; Crudden, Cathleen M.","Synthesis and Characterization of Cationic Rhodium Peroxo Complexes","Organometallics","2012","31","21","7306","","10.1021/om300766x","","","0.71073","MoKα","","0.097","0.0927","","","0.2139","0.216","","","","","","1.153","","","","has coordinates,has disorder","178683","2020-10-21","18:00:00",""
"4079489","12.4497","0.0009","16.9195","0.0012","29.813","0.002","90","","96.545","0.001","90","","6239","0.8","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59.5 H81 B Cl3 F4 N6 O2 Rh -","- C58 H78 B F4 N6 O2 Rh -","- C232 H312 B4 F16 N24 O8 Rh4 -","4","1","","Cipot-Wechsler, Judy; Covelli, Danielle; Praetorius, Jeremy M.; Hearns, Nigel; Zenkina, Olena V.; Keske, Eric C.; Wang, Ruiyao; Kennepohl, Pierre; Crudden, Cathleen M.","Synthesis and Characterization of Cationic Rhodium Peroxo Complexes","Organometallics","2012","31","21","7306","","10.1021/om300766x","","","0.71073","MoKα","","0.0822","0.0549","","","0.1376","0.1484","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079490","35.081","0.007","11.577","0.002","19.643","0.004","90","","107.81","0.002","90","","7595","3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H51 N2 O2 Si W -","- C40 H51 N2 O2 Si W -","- C320 H408 N16 O16 Si8 W8 -","8","1","","Sakaba, Hiroyuki; Oike, Hiroyuki; Arai, Yasuhiro; Kwon, Eunsang","Reactions of Tungsten Acetylide‒Silylene Complexes with Pyridines: Direct Observation of Silylene/Silyl Migration in Tungsten Acetylide and Carbyne/Vinylidene Frameworks","Organometallics","2012","31","23","8172","","10.1021/om300772c","","","0.7107","MoKα","","","0.0239","","","","0.0587","","","","","","1.113","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079491","9.675","0.003","11.977","0.004","15.321","0.005","92.19","0.006","95.119","0.004","91.953","0.005","1765.7","1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 N2 O2 Si2 W -","- C36 H44 N2 O2 Si2 W -","- C72 H88 N4 O4 Si4 W2 -","2","1","","Sakaba, Hiroyuki; Oike, Hiroyuki; Arai, Yasuhiro; Kwon, Eunsang","Reactions of Tungsten Acetylide‒Silylene Complexes with Pyridines: Direct Observation of Silylene/Silyl Migration in Tungsten Acetylide and Carbyne/Vinylidene Frameworks","Organometallics","2012","31","23","8172","","10.1021/om300772c","","","0.7107","MoKα","","","0.0237","","","","0.0672","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079492","14.921","0.002","15.088","0.002","26.873","0.004","90","","94.579","0.003","90","","6030.6","1.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H32 Ge Mo N2 O3 Si2 -","- C27 H32 Ge Mo N2 O3 Si2 -","- C216 H256 Ge8 Mo8 N16 O24 Si16 -","8","2","","Leung, Wing-Por; Chiu, Wang-Kin; Mak, Thomas C. W.","Synthesis and Structural Characterization of Metallogermylenes, Cp-Substituted Germylene, and a Germanium(II)-Borane Adduct from Pyridyl-1-azaallyl Germanium(II) Chloride","Organometallics","2012","31","19","6966","","10.1021/om3007739","","","0.71073","MoKα","","0.0422","0.033","","","0.0774","0.0831","","","","","","0.99","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079493","12.853","0.003","10.569","0.003","21.936","0.005","90","","95.73","0.004","90","","2965","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Ge N2 O3 Si2 W -","- C27 H32 Ge N2 O3 Si2 W -","- C108 H128 Ge4 N8 O12 Si8 W4 -","4","1","","Leung, Wing-Por; Chiu, Wang-Kin; Mak, Thomas C. W.","Synthesis and Structural Characterization of Metallogermylenes, Cp-Substituted Germylene, and a Germanium(II)-Borane Adduct from Pyridyl-1-azaallyl Germanium(II) Chloride","Organometallics","2012","31","19","6966","","10.1021/om3007739","","","0.71073","MoKα","","0.0431","0.0311","","","0.075","0.082","","","","","","1.025","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079494","9.922","0.004","13.749","0.005","18.76","0.007","90","","100.549","0.007","90","","2515.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Ge N2 Si2 -","- C24 H32 Ge N2 Si2 -","- C96 H128 Ge4 N8 Si8 -","4","1","","Leung, Wing-Por; Chiu, Wang-Kin; Mak, Thomas C. W.","Synthesis and Structural Characterization of Metallogermylenes, Cp-Substituted Germylene, and a Germanium(II)-Borane Adduct from Pyridyl-1-azaallyl Germanium(II) Chloride","Organometallics","2012","31","19","6966","","10.1021/om3007739","","","0.71073","MoKα","","0.0529","0.0373","","","0.0961","0.1073","","","","","","1.058","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079495","19.85","0.006","13.056","0.004","16.452","0.005","90","","110.645","0.005","90","","3990","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 B Cl F15 Ge N2 Si2 -","- C37 H27 B Cl F15 Ge N2 Si2 -","- C148 H108 B4 Cl4 F60 Ge4 N8 Si8 -","4","1","","Leung, Wing-Por; Chiu, Wang-Kin; Mak, Thomas C. W.","Synthesis and Structural Characterization of Metallogermylenes, Cp-Substituted Germylene, and a Germanium(II)-Borane Adduct from Pyridyl-1-azaallyl Germanium(II) Chloride","Organometallics","2012","31","19","6966","","10.1021/om3007739","","","0.71073","MoKα","","0.0575","0.0409","","","0.107","0.1227","","","","","","1.044","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079496","32.076","0.009","10.037","0.003","25.337","0.007","90","","105.284","0.004","90","","7869","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 B N7 O Y -","- C38 H47 B N7 O Y -","- C304 H376 B8 N56 O8 Y8 -","8","1","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.1228","0.0551","","","0.1102","0.124","","","","","","0.743","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079497","29.875","0.012","13.866","0.006","19.761","0.008","90","","130.51","0.004","90","","6224","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 B2 N16 Y2 -","- C54 H64 B2 N16 Y2 -","- C216 H256 B8 N64 Y8 -","4","0.5","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.0599","0.0378","","","0.0853","0.0895","","","","","","0.888","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079498","17.096","0.003","10.5725","0.0018","21.31","0.004","90","","96.693","0.002","90","","3825.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 B N8 Y -","- C41 H44 B N8 Y -","- C164 H176 B4 N32 Y4 -","4","1","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.0837","0.0466","","","0.1088","0.1279","","","","","","1.02","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079499","29.875","0.012","13.866","0.006","19.761","0.008","90","","130.51","0.004","90","","6224","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C H B N O Y -","- C2.84211 H3.36842 B0.105263 N0.842105 Y0.105263 -","- C216 H256 B8 N64 Y8 -","76","9.5","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.1065","0.0766","","","0.2428","0.2524","","","","","","2.19","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079500","11.085","0.004","18.454","0.007","43.113","0.017","90","","90","","90","","8819","6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H58 B N11 O P Y -","- C40 H58 B N11 O P Y -","- C320 H464 B8 N88 O8 P8 Y8 -","8","1","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.2106","0.1337","","","0.3208","0.3519","","","","","","0.995","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079501","9.358","0.003","19.903","0.007","20.811","0.007","101.252","0.006","102.343","0.006","102.955","0.006","3568","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H82 B2 N14 O2 Y2 -","- C62 H82 B2 N14 O2 Y2 -","- C124 H164 B4 N28 O4 Y4 -","2","1","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.2147","0.0827","","","0.2367","0.2758","","","","","","0.864","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079502","11.294","0.005","13.201","0.005","14.681","0.006","109.851","0.005","102.636","0.005","106.224","0.005","1853.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 B N8 Y -","- C34 H40 B N8 Y -","- C68 H80 B2 N16 Y2 -","2","1","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.0713","0.0464","","","0.1179","0.1233","","","","","","1","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079503","17.834","0.008","14.41","0.006","17.834","0.008","90","","90","","90","","4583","3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H59 B N12 O P Y -","- C35 H47 B N13 O P Y -","- C140 H188 B4 N52 O4 P4 Y4 -","4","1","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.1131","0.085","","","0.2306","0.2477","","","","","","0.966","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079504","16.683","0.003","7.7392","0.0015","23.361","0.005","90","","106.68","0.03","90","","2889.3","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 N2 O3 S2 Y -","- C22 H27 Cl2 N2 O3 S2 Y -","- C88 H108 Cl8 N8 O12 S8 Y4 -","4","1","","Zhang, Wenjuan; Liu, Shaofeng; Yang, Wenhong; Hao, Xiang; Glaser, Rainer; Sun, Wen-Hua","Chloroyttrium 2-(1-(Arylimino)alkyl)quinolin-8-olate Complexes: Synthesis, Characterization, and Catalysis of the Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2012","31","23","8178","","10.1021/om300778g","","","0.71073","MoKα","","0.0804","0.0689","","","0.1512","0.1577","","","","","","1.131","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079505","26.785","0.005","14.369","0.003","16.225","0.003","90","","121.89","0.03","90","","5302","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 Cl2 N2 O3 S2 Y -","- C23 H29 Cl2 N2 O3 S2 Y -","- C184 H232 Cl16 N16 O24 S16 Y8 -","8","1","","Zhang, Wenjuan; Liu, Shaofeng; Yang, Wenhong; Hao, Xiang; Glaser, Rainer; Sun, Wen-Hua","Chloroyttrium 2-(1-(Arylimino)alkyl)quinolin-8-olate Complexes: Synthesis, Characterization, and Catalysis of the Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2012","31","23","8178","","10.1021/om300778g","","","0.71073","MoKα","","0.0824","0.0707","","","0.1833","0.1902","","","","","","1.208","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079506","12.856","0.003","15.165","0.003","18.681","0.004","80.81","0.03","79.36","0.03","73.6","0.03","3411.4","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H74 Cl4 N4 O6 S4 Y2 -","- C54 H74 Cl4 N4 O6 S4 Y2 -","- C108 H148 Cl8 N8 O12 S8 Y4 -","2","1","","Zhang, Wenjuan; Liu, Shaofeng; Yang, Wenhong; Hao, Xiang; Glaser, Rainer; Sun, Wen-Hua","Chloroyttrium 2-(1-(Arylimino)alkyl)quinolin-8-olate Complexes: Synthesis, Characterization, and Catalysis of the Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2012","31","23","8178","","10.1021/om300778g","","","0.71073","MoKα","","0.1129","0.082","","","0.179","0.1947","","","","","","1.085","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079507","17.277","0.004","20.115","0.004","20.357","0.004","109.92","0.03","107.41","0.03","94.64","0.03","6213","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H100 Cl8 N8 O6 Y4 -","- C92 H100 Cl8 N8 O6 Y4 -","- C184 H200 Cl16 N16 O12 Y8 -","2","1","","Zhang, Wenjuan; Liu, Shaofeng; Yang, Wenhong; Hao, Xiang; Glaser, Rainer; Sun, Wen-Hua","Chloroyttrium 2-(1-(Arylimino)alkyl)quinolin-8-olate Complexes: Synthesis, Characterization, and Catalysis of the Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2012","31","23","8178","","10.1021/om300778g","","","0.71073","MoKα","","0.117","0.0778","","","0.1979","0.2218","","","","","","1.006","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079508","6.5754","0.0004","8.8183","0.0005","13.3673","0.0008","72.254","0.002","85.602","0.001","79.434","0.002","725.51","0.07","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 O5 P W -","- C13 H13 O5 P W -","- C26 H26 O10 P2 W2 -","2","1","","Ho, Feny; Li, Yongxin; Mathey, François","Role of Steric Strain in the Chemistry of Phosphiranes","Organometallics","2012","31","23","8456","","10.1021/om3007807","","","0.71073","MoKα","","0.0284","0.0261","","","0.0548","0.0555","","","","","","1.062","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079509","23.5818","0.0007","10.3225","0.0003","6.3947","0.0002","90","","90","","90","","1556.62","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H13 O5 P W -","- C13 H13 O5 P W -","- C52 H52 O20 P4 W4 -","4","1","","Ho, Feny; Li, Yongxin; Mathey, François","Role of Steric Strain in the Chemistry of Phosphiranes","Organometallics","2012","31","23","8456","","10.1021/om3007807","","","0.71073","MoKα","","0.0491","0.0329","","","0.0603","0.0638","","","","","","1.147","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079510","12.7022","0.0003","15.6607","0.0003","23.8898","0.0005","90","","90","","90","","4752.29","0.18","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H67 Cl2 N2 O P Ru -","- C53 H67 Cl2 N2 O P Ru -","- C212 H268 Cl8 N8 O4 P4 Ru4 -","4","1","","Ablialimov, Osman; Kędziorek, Mariusz; Torborg, Christian; Malińska, Maura; Woźniak, Krzysztof; Grela, Karol","New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes","Organometallics","2012","31","21","7316","","10.1021/om300783g","","","0.71073","","","0.0625","0.0434","","","0.1219","0.1396","","","","","","1.221","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079511","7.9196","0.0003","14.5983","0.0005","25.844","0.0009","90","","90","","90","","2987.89","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Cl2 N2 O3 Ru -","- C32 H38 Cl2 N2 O3 Ru -","- C128 H152 Cl8 N8 O12 Ru4 -","4","1","","Pump, Eva; Fischer, Roland C.; Slugovc, Christian","Halide Exchange in Second-Generationcis-Dihalo Ruthenium Benzylidene Complexes","Organometallics","2012","31","19","6972","","10.1021/om300785t","","","0.71073","MoKα","","0.039","0.028","","","0.0703","0.0742","","","","","","1.061","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079512","8.0758","0.0009","20.488","0.0019","21.52","0.002","108.225","0.003","97.87","0.004","96.013","0.004","3308.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H39 Cl1.89 I1.11 N2 O3 Ru -","- C32.5 H39 Cl1.8881 I1.1119 N2 O3 Ru -","- C130 H156 Cl7.5524 I4.4476 N8 O12 Ru4 -","4","2","","Pump, Eva; Fischer, Roland C.; Slugovc, Christian","Halide Exchange in Second-Generationcis-Dihalo Ruthenium Benzylidene Complexes","Organometallics","2012","31","19","6972","","10.1021/om300785t","","","0.71073","MoKα","","0.072","0.0387","","","0.0805","0.0876","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079513","8.3539","0.0003","21.1185","0.0007","21.0212","0.0008","107.501","0.001","98.358","0.002","95.731","0.001","3458.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H39 Cl I2 N2 O3 Ru -","- C32.5 H39 Cl I2 N2 O3 Ru -","- C130 H156 Cl4 I8 N8 O12 Ru4 -","4","2","","Pump, Eva; Fischer, Roland C.; Slugovc, Christian","Halide Exchange in Second-Generationcis-Dihalo Ruthenium Benzylidene Complexes","Organometallics","2012","31","19","6972","","10.1021/om300785t","","","0.71073","MoKα","","0.0541","0.0456","","","0.1326","0.14","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079514","8.0634","0.0017","11.8821","0.0013","11.986","0.003","75.381","0.011","71.954","0.016","85.489","0.013","1056.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 Cl10 Ru3 -","- C32 H52 Cl10 Ru3 -","- C32 H52 Cl10 Ru3 -","1","0.5","","Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Activation of Nitrous Oxide by Dinuclear Ruthenium Complexes","Organometallics","2012","31","20","7235","","10.1021/om300786f","","","0.71073","MoKα","","0.0992","0.0609","","","0.1368","0.1593","","","","","","1.038","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079515","27.618","0.004","14.453","0.003","18.611","0.003","90","","110.138","0.01","90","","6975","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H39 Cl5 N4 Ru2 -","- C31.5 H39 Cl5 N4 Ru2 -","- C252 H312 Cl40 N32 Ru16 -","8","1","","Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Activation of Nitrous Oxide by Dinuclear Ruthenium Complexes","Organometallics","2012","31","20","7235","","10.1021/om300786f","","","0.71073","MoKα","","0.0294","0.0217","","","0.0466","0.0509","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079516","17.138","0.005","12.6913","0.0017","16.175","0.004","90","","100.96","0.02","90","","3453.9","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl6 N2 O Ru2 -","- C32 H39 Cl6 N2 O Ru2 -","- C128 H156 Cl24 N8 O4 Ru8 -","4","1","","Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Activation of Nitrous Oxide by Dinuclear Ruthenium Complexes","Organometallics","2012","31","20","7235","","10.1021/om300786f","","","0.71073","MoKα","","0.1283","0.0729","","","0.1081","0.1226","","","","","","1.194","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079517","7.2298","0.0015","12.45","0.002","27.612","0.004","97.52","0.02","96.02","0.02","104.13","0.02","2365.1","0.8","100","2","100","2","","","","","","","acetonitrile, diethylether, hexane","7","P -1","-P 1","2","","","","- C53 H43 Cl3 Fe2 N6 O6 Ru -","- C53 H43 Cl3 Fe2 N6 O6 Ru -","- C106 H86 Cl6 Fe4 N12 O12 Ru2 -","2","1","","Sathyaraj, Gopal; Kiruthika, Mathiyalagan; Weyhermüller, Thomas; Unni Nair, Balachandran","Oxidative Cleavage of DNA by Ruthenium(II) Complexes Containing a Ferrocene/Non-Ferrocene Conjugated Imidazole Phenol Ligand","Organometallics","2012","31","19","6980","","10.1021/om3007882","","","0.71073","MoKα","","0.0528","0.0343","","","0.0705","0.0781","","","","","","1.035","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079518","29.511","0.0016","13.3179","0.0007","32.1453","0.0017","90","","109.255","0.003","90","","11927.2","1.1","170","2","170","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H37 B Cl F27 Ir N5 O -","- C55 H37 B Cl F27 Ir N5 O -","- C440 H296 B8 Cl8 F216 Ir8 N40 O8 -","8","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.0804","0.0509","","","0.1341","0.1536","","","","","","1.011","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079519","19.409","0.0008","17.2163","0.0008","21.637","0.001","90","","112.133","0.002","90","","6697.3","0.5","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 B Cl3 F27 Ir N5 -","- C58 H40 B Cl3.01 F27 Ir N5 -","- C232 H160 B4 Cl12.04 F108 Ir4 N20 -","4","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.0618","0.0514","","","0.1575","0.1664","","","","","","1.152","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079520","39.396","0.004","18.3734","0.0016","16.48","0.0016","90","","106.912","0.005","90","","11413","1.9","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48.75 H26 B Cl1.5 F24 N6 O4 Rh -","- C48.75 H26 B Cl1.52 F24.1 N6 O4 Rh -","- C390 H208 B8 Cl12.16 F192.8 N48 O32 Rh8 -","8","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.0645","0.0557","","","0.1646","0.183","","","","","","0.755","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079521","12.5013","0.0014","16.375","0.0008","16.937","0.0008","117.541","0.002","96.775","0.002","101.575","0.002","2921.8","0.4","151","2","151","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H41 B Cl2 F24 Ir N5 -","- C55.5 H41 B Cl2 F23.97 Ir N5 -","- C111 H82 B2 Cl4 F47.94 Ir2 N10 -","2","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.0195","0.0186","","","0.0467","0.0474","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079522","12.0829","0.0005","24.4058","0.001","13.3522","0.0005","90","","93.701","0.002","90","","3929.3","0.3","156","2","156","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 B Cl Ir N5 -","- C46 H46 B Cl Ir N5 -","- C184 H184 B4 Cl4 Ir4 N20 -","4","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.0182","0.0167","","","0.0408","0.0416","","","","","","1.066","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079523","28.8655","0.0012","12.9022","0.0005","29.8343","0.0012","90","","104.722","0.001","90","","10746.4","0.7","155","2","155","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.38 H35 B Cl1.75 F24 Ir N4 -","- C49.38 H35 B Cl1.75 F23.97 Ir N4 -","- C395.04 H280 B8 Cl14 F191.76 Ir8 N32 -","8","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.0374","0.031","","","0.1203","0.1323","","","","","","1.182","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079524","12.4931","0.0016","16.3598","0.0008","16.8978","0.001","117.365","0.002","96.805","0.003","101.47","0.003","2917.2","0.4","152","2","152","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H41 B Cl2 F24 N5 Rh -","- C55.5 H41 B Cl2 F23.97 N5 Rh -","- C111 H82 B2 Cl4 F47.94 N10 Rh2 -","2","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.0441","0.0346","","","0.0783","0.0822","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079525","29.9749","0.0017","13.0963","0.0008","36.371","0.002","90","","111.572","0.002","90","","13277.7","1.3","151","2","151","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54.88 H39.75 B Cl2.75 F24 N5 Rh -","- C54.88 H39.76 B Cl2.8 F24 N5 Rh -","- C439.04 H318.08 B8 Cl22.4 F192 N40 Rh8 -","8","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.1136","0.0883","","","0.2429","0.2599","","","","","","1.102","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079526","12.0994","0.0003","24.4422","0.0007","13.3308","0.0004","90","","93.565","0.001","90","","3934.77","0.19","155","2","155","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 B Cl N5 Rh -","- C46 H46 B Cl N5 Rh -","- C184 H184 B4 Cl4 N20 Rh4 -","4","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.1904","0.0269","","","0.0634","0.0683","","","","","","1.061","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079527","28.8126","0.001","12.8881","0.0004","29.9049","0.0011","90","","104.623","0.002","90","","10745.2","0.6","152","2","152","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.12 H35 B Cl1.25 F24 N4 Rh -","- C49.13 H35 B Cl1.26 F24 N4 Rh -","- C393.04 H280 B8 Cl10.08 F192 N32 Rh8 -","8","1","","Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A.","Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes","Organometallics","2012","31","21","7500","","10.1021/om300792b","","","0.71073","MoKα","","0.1026","0.0748","","","0.2038","0.2218","","","","","","1.461","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079528","16.5802","0.00004","18.09136","0.00004","19.48429","0.00004","90","","90","","90","","5844.48","0.02","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H54 N P3 Ru -","- C25 H54 N P3 Ru -","- C200 H432 N8 P24 Ru8 -","8","1","","Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.","Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands","Organometallics","2012","31","19","7024","","10.1021/om300794h","","x-ray","1.5418","CuKα","","0.0174","0.0172","","","0.0434","0.0436","","","","","","1.053","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079529","10.2667","0.00003","13.3407","0.00005","22.72424","0.00006","90","","90","","90","","3112.43","0.017","114.99","0.1","114.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H56 N P3 Ru -","- C29 H56 N P3 Ru -","- C116 H224 N4 P12 Ru4 -","4","1","","Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.","Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands","Organometallics","2012","31","19","7024","","10.1021/om300794h","","x-ray","1.5418","CuKα","","0.0132","0.0132","","","0.0338","0.0338","","","","","","1.063","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079530","8.48059","0.00006","9.12047","0.00006","34.1042","0.0003","90","","90","","90","","2637.86","0.03","114.97","0.11","114.97","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 N P3 Ru -","- C25 H48 N P3 Ru -","- C100 H192 N4 P12 Ru4 -","4","1","","Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.","Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands","Organometallics","2012","31","19","7024","","10.1021/om300794h","","x-ray","1.5418","CuKα","","0.0197","0.0193","","","0.0484","0.0485","","","","","","1.097","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079531","10.765","0.0001","11.5015","0.0002","12.5253","0.0002","88.76","0.001","65.414","0.002","84.114","0.001","1402.39","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O10 W2 -","- C24 H18 N4 O10 W2 -","- C48 H36 N8 O20 W4 -","2","1","","Kuo, Hsin-Ya; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung","N,N′-Dialkylation Catalyzed by Bimetallic Iridium Complexes Containing a Saturated Bis-N-Heterocyclic Carbene (NHC) Ligand","Organometallics","2012","31","20","7248","","10.1021/om300800c","","","0.71073","MoKα","","0.0279","0.0225","","","0.0528","0.0561","","","","","","1.013","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079532","13.6471","0.0002","25.3253","0.0003","17.3337","0.0002","90","","99.907","0.001","90","","5901.49","0.13","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C108 H96 Cl18 F12 Ir2 N4 O2 P6 -","- C108 H96 Cl18 F12 Ir2 N4 O2 P6 -","- C216 H192 Cl36 F24 Ir4 N8 O4 P12 -","2","0.5","","Kuo, Hsin-Ya; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung","N,N′-Dialkylation Catalyzed by Bimetallic Iridium Complexes Containing a Saturated Bis-N-Heterocyclic Carbene (NHC) Ligand","Organometallics","2012","31","20","7248","","10.1021/om300800c","","","0.71073","MoKα","","0.0995","0.0573","","","0.1342","0.1501","","","","","","0.963","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079533","9.9732","0.0002","10.3045","0.0002","13.5611","0.0003","77.476","0.0013","69.497","0.0012","66.643","0.0012","1193.46","0.04","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Cl F N P Pt -","- C29 H22 Cl F N P Pt -","- C58 H44 Cl2 F2 N2 P2 Pt2 -","2","1","","Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.","Relieving Steric Strain at Octahedral Platinum(IV): Isomerization and Reductive Coupling of Alkyl and Aryl Chlorides","Organometallics","2012","31","20","7256","","10.1021/om3008019","","","0.71073","MoKα","","0.0218","0.0199","","","0.0427","0.0434","","","","","","1.061","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079534","10.3283","0.0001","11.1027","0.0002","17.3489","0.0003","96.728","0.001","102.118","0.001","115.877","0.001","1700.07","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H24 Cl9 F N P Pt -","- C31 H24 Cl9 F N P Pt -","- C62 H48 Cl18 F2 N2 P2 Pt2 -","2","1","","Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.","Relieving Steric Strain at Octahedral Platinum(IV): Isomerization and Reductive Coupling of Alkyl and Aryl Chlorides","Organometallics","2012","31","20","7256","","10.1021/om3008019","","","0.71073","MoKα","","0.0281","0.0249","","","0.0548","0.0561","","","","","","1.035","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079535","29.2355","0.0018","29.2355","0.0018","12.9427","0.0016","90","","90","","90","","11062.3","1.7","153","2","153","2","","","","","","","","7","I -4","I -4","82","","","","- C152 H304 Ga8 N8 O24 S4 Si16 -","- C152 H304 Ga8 N8 O24 S4 Si16 -","- C304 H608 Ga16 N16 O48 S8 Si32 -","2","0.25","","Uhl, Werner; Stefaniak, Christina; Voß, Matthias; Kösters, Jutta; Rogel, Friedhelm","Gallium‒Gallium Bonds As Effective Templates for the Generation of Macrocycles and Supramolecular Entities","Organometallics","2012","31","19","6988","","10.1021/om3008025","","","0.71073","MoKα","","0.0565","0.0426","","","0.1172","0.1243","","","","","","1.034","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079536","19.9807","0.0012","20.8609","0.0012","23.5307","0.0014","99.833","0.001","95.001","0.001","100.037","0.001","9446.6","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H176 Ga8 N8 O9 Si16 -","- C92 H176 Ga8 N8 O9 Si16 -","- C184 H352 Ga16 N16 O18 Si32 -","2","1","","Uhl, Werner; Stefaniak, Christina; Voß, Matthias; Kösters, Jutta; Rogel, Friedhelm","Gallium‒Gallium Bonds As Effective Templates for the Generation of Macrocycles and Supramolecular Entities","Organometallics","2012","31","19","6988","","10.1021/om3008025","","","0.71073","MoKα","","0.0713","0.041","","","0.0883","0.0943","","","","","","0.832","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079537","19.3512","0.0012","22.3179","0.0014","25.9585","0.0017","105.232","0.001","110.396","0.001","104.066","0.001","9419.4","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H176 Ga8 N8 O9 Si16 -","- C84 H176 Ga8 N8 O9 Si16 -","- C168 H352 Ga16 N16 O18 Si32 -","2","1","","Uhl, Werner; Stefaniak, Christina; Voß, Matthias; Kösters, Jutta; Rogel, Friedhelm","Gallium‒Gallium Bonds As Effective Templates for the Generation of Macrocycles and Supramolecular Entities","Organometallics","2012","31","19","6988","","10.1021/om3008025","","","0.71073","MoKα","","0.0737","0.041","","","0.0999","0.1069","","","","","","0.9","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079538","10.737","0.0008","13.1719","0.0009","14.168","0.001","90","","102.222","0.002","90","","1958.3","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl Co N4 -","- C42 H48 Cl Co N4 -","- C84 H96 Cl2 Co2 N8 -","2","1","","Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang","Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation","Organometallics","2012","31","20","7040","","10.1021/om300804a","","","0.71073","MoKα","","0.113","0.0498","","","0.0961","0.1249","","","","","","1.074","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079539","29.405","0.004","11.8895","0.0014","32.603","0.004","90","","101.185","0.002","90","","11182","2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H68 B Co N4 -","- C66 H68 B Co N4 -","- C528 H544 B8 Co8 N32 -","8","1","","Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang","Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation","Organometallics","2012","31","20","7040","","10.1021/om300804a","","","0.71073","MoKα","","0.0719","0.0464","","","0.1138","0.1275","","","","","","1.008","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079540","10.9031","0.0007","12.8177","0.0008","14.6435","0.0009","75.971","0.001","74.347","0.001","80.87","0.001","1902.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H47 Co N6 -","- C42 H47 Co N6 -","- C84 H94 Co2 N12 -","2","1","","Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang","Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation","Organometallics","2012","31","20","7040","","10.1021/om300804a","","","0.71073","MoKα","","0.0589","0.044","","","0.105","0.1105","","","","","","0.966","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079541","8.5981","0.0003","26.6843","0.0011","15.936","0.0006","90","","101.174","0.001","90","","3587","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Co N4 -","- C42 H46 Co N4 -","- C168 H184 Co4 N16 -","4","0.5","","Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang","Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation","Organometallics","2012","31","20","7040","","10.1021/om300804a","","","0.71073","MoKα","","0.0441","0.0341","","","0.0877","0.0939","","","","","","1.07","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079542","15.372","0.005","10.579","0.003","24.828","0.008","90","","94.324","0.005","90","","4026","2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 Co N4 O3 -","- C45 H45 Co N4 O3 -","- C180 H180 Co4 N16 O12 -","4","1","","Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang","Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation","Organometallics","2012","31","20","7040","","10.1021/om300804a","","","0.71073","MoKα","","0.1118","0.0609","","","0.1465","0.1752","","","","","","1.005","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079543","10.8327","0.0018","15.455","0.003","15.49","0.003","115.717","0.002","90.852","0.003","100.984","0.003","2279.7","0.7","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H62 Co N5 -","- C54 H55 Co N5 -","- C108 H110 Co2 N10 -","2","1","","Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang","Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation","Organometallics","2012","31","20","7040","","10.1021/om300804a","","","0.71073","MoKα","","0.0877","0.0671","","","0.1801","0.2063","","","","","","0.943","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079544","8.185","0.004","13.313","0.007","22.665","0.01","77.512","0.01","82.135","0.007","72.777","0.007","2296.1","1.9","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 Co N6 O2 -","- C52 H56 Co N6 O2 -","- C104 H112 Co2 N12 O4 -","2","1","","Mo, Zhenbo; Chen, Dake; Leng, Xuebin; Deng, Liang","Intramolecular C(sp3)‒H Bond Activation Reactions of Low-Valent Cobalt Complexes with Coordination Unsaturation","Organometallics","2012","31","20","7040","","10.1021/om300804a","","","0.71073","MoKα","","0.1215","0.0772","","","0.2043","0.26","","","","","","1.049","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079545","8.2872","0.0002","15.8767","0.0004","18.6988","0.0005","90","","90","","90","","2460.26","0.11","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Cl3 I2 N4 O Pt -","- C17 H23 Cl3 I2 N4 O Pt -","- C68 H92 Cl12 I8 N16 O4 Pt4 -","4","1","","Chardon, Edith; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Derivatization of Preformed Platinum N-Heterocyclic Carbene Complexes with Amino Acid and Peptide Ligands and Cytotoxic Activities toward Human Cancer Cells","Organometallics","2012","31","21","7618","","10.1021/om300806g","","","0.71073","MoKα","","0.0409","0.0337","","","0.0856","0.1073","","","","","","1.174","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079546","9.5879","0.0019","18.125","0.004","21.11","0.004","70.52","0.03","82","0.03","87.25","0.03","3424.9","1.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H36 I2 N5 O4 Pt -","- C28 H36 I2 N5 O4 Pt -","- C112 H144 I8 N20 O16 Pt4 -","4","4","","Chardon, Edith; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Derivatization of Preformed Platinum N-Heterocyclic Carbene Complexes with Amino Acid and Peptide Ligands and Cytotoxic Activities toward Human Cancer Cells","Organometallics","2012","31","21","7618","","10.1021/om300806g","","","1.54178","CuKα","","0.0715","0.0512","","","0.1113","0.1404","","","","","","0.901","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079547","10.041","0.002","11.149","0.002","15.588","0.003","98.09","0.03","96.21","0.03","112.27","0.03","1573.8","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H32 Cl2 F6 N4 P Rh -","- C31 H32 Cl2 F6 N4 P Rh -","- C62 H64 Cl4 F12 N8 P2 Rh2 -","2","1","","Gierz, Verena; Urbanaite, Aurelija; Seyboldt, Alexander; Kunz, Doris","Rhodium Complexes Bearing 1,10-Phenanthroline Analogue Bis-NHC Ligands Are Active Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2012","31","21","7532","","10.1021/om3008103","","","0.71073","MoKα","","0.0472","0.0357","","","0.0743","0.0777","","","","","","1.026","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079548","7.1041","0.0013","9.667","0.0018","13.246","0.003","94.045","0.002","104.492","0.002","102.838","0.002","851","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Br N6 O8 -","- C15 H9 Br N6 O8 -","- C30 H18 Br2 N12 O16 -","2","1","","Sato, Tetsuo; Hirose, Yoichi; Yoshioka, Daisuke; Oi, Shuichi","N-Heterocyclic Carbenes with aN-2,4-Dinitrophenyl Substituent: Comparison with PPh3and IPr","Organometallics","2012","31","19","6995","","10.1021/om300814f","","","0.71073","MoKα","","0.0244","0.0233","","","0.0586","0.0593","","","","","","1.023","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079549","8.045","0.003","8.458","0.003","11.588","0.004","75.883","0.003","81.523","0.004","87.523","0.004","756.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 F3 N4 O7 S -","- C11 H9 F3 N4 O7 S -","- C22 H18 F6 N8 O14 S2 -","2","1","","Sato, Tetsuo; Hirose, Yoichi; Yoshioka, Daisuke; Oi, Shuichi","N-Heterocyclic Carbenes with aN-2,4-Dinitrophenyl Substituent: Comparison with PPh3and IPr","Organometallics","2012","31","19","6995","","10.1021/om300814f","","","0.71073","MoKα","","0.0413","0.0331","","","0.0808","0.0859","","","","","","1.059","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079550","17.649","0.003","7.1994","0.001","19.254","0.003","90","","97.42","0.002","90","","2426","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl N6 O8 Rh -","- C23 H20 Cl N6 O8 Rh -","- C92 H80 Cl4 N24 O32 Rh4 -","4","1","","Sato, Tetsuo; Hirose, Yoichi; Yoshioka, Daisuke; Oi, Shuichi","N-Heterocyclic Carbenes with aN-2,4-Dinitrophenyl Substituent: Comparison with PPh3and IPr","Organometallics","2012","31","19","6995","","10.1021/om300814f","","","0.71073","MoKα","","0.0266","0.0233","","","0.0616","0.0638","","","","","","1.042","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079551","11.1268","0.0016","12.8969","0.0018","13.3256","0.0019","90","","93.124","0.002","90","","1909.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl N4 O4 Rh -","- C18 H20 Cl N4 O4 Rh -","- C72 H80 Cl4 N16 O16 Rh4 -","4","1","","Sato, Tetsuo; Hirose, Yoichi; Yoshioka, Daisuke; Oi, Shuichi","N-Heterocyclic Carbenes with aN-2,4-Dinitrophenyl Substituent: Comparison with PPh3and IPr","Organometallics","2012","31","19","6995","","10.1021/om300814f","","","0.71073","MoKα","","0.0261","0.0236","","","0.0633","0.0658","","","","","","1.075","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079552","14.772","0.002","9.0891","0.0015","17.99","0.003","90","","113.251","0.002","90","","2219.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Au Cl N6 O9 -","- C18 H14 Au Cl N6 O9 -","- C72 H56 Au4 Cl4 N24 O36 -","4","1","","Sato, Tetsuo; Hirose, Yoichi; Yoshioka, Daisuke; Oi, Shuichi","N-Heterocyclic Carbenes with aN-2,4-Dinitrophenyl Substituent: Comparison with PPh3and IPr","Organometallics","2012","31","19","6995","","10.1021/om300814f","","","0.71073","MoKα","","0.0309","0.0259","","","0.0587","0.0606","","","","","","1.083","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079553","9.68","0.003","16.35","0.005","17.323","0.006","62.204","0.007","78.902","0.008","86.599","0.008","2378.5","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","T-Pt-Ac","","","- C51 H66 P2 Pt Si -","- C51 H66 P2 Pt Si -","- C102 H132 P4 Pt2 Si2 -","2","1","","Nguyen, Minh-Hai; Yip, John H. K.","Platinum-Conjugated Homo- and Heterobichromophoric Complexes of Tetracene and Pentacene","Organometallics","2012","31","21","7522","","10.1021/om300815b","","","0.71073","MoKα","","0.1231","0.0787","","","0.1504","0.1664","","","","","","1.032","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079554","30.112","0.002","25.0907","0.0017","24.4373","0.0019","90","","91.597","0.003","90","","18456","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","P-Pt-I","","","- C47 H62.5 I P2 Pt Si -","- C47 H62.5 I P2 Pt Si -","- C752 H1000 I16 P32 Pt16 Si16 -","16","4","","Nguyen, Minh-Hai; Yip, John H. K.","Platinum-Conjugated Homo- and Heterobichromophoric Complexes of Tetracene and Pentacene","Organometallics","2012","31","21","7522","","10.1021/om300815b","","","0.71073","MoKα","","0.0848","0.0542","","","0.1258","0.1407","","","","","","0.941","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079555","38.177","0.005","11.018","0.0014","17.077","0.002","90","","103.17","0.003","90","","6994.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","T-Pt-T","","","- C75 H94 Cl2 P2 Pt Si2 -","- C75 H94 Cl2 P2 Pt Si2 -","- C300 H376 Cl8 P8 Pt4 Si8 -","4","0.5","","Nguyen, Minh-Hai; Yip, John H. K.","Platinum-Conjugated Homo- and Heterobichromophoric Complexes of Tetracene and Pentacene","Organometallics","2012","31","21","7522","","10.1021/om300815b","","","0.71073","MoKα","","0.059","0.0469","","","0.0994","0.1042","","","","","","1.041","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079556","7.2711","0.0013","11.622","0.002","21.039","0.004","86.29","0.004","81.186","0.004","81.257","0.004","1734.9","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","P-Pt-P","","","- C82 H96 P2 Pt Si2 -","- C82 H96 P2 Pt Si2 -","- C82 H96 P2 Pt Si2 -","1","0.5","","Nguyen, Minh-Hai; Yip, John H. K.","Platinum-Conjugated Homo- and Heterobichromophoric Complexes of Tetracene and Pentacene","Organometallics","2012","31","21","7522","","10.1021/om300815b","","","0.71073","MoKα","","0.0705","0.0607","","","0.1288","0.139","","","","","","1.076","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079557","10.2238","0.001","9.6635","0.0009","11.2356","0.0011","90","","101.295","0.001","90","","1088.55","0.18","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 Zr -","- C28 H28 Zr -","- C56 H56 Zr2 -","2","1","","Rong, Yi; Al-Harbi, Ahmed; Parkin, Gerard","Highly Variable Zr‒CH2‒Ph Bond Angles in Tetrabenzylzirconium: Analysis of Benzyl Ligand Coordination Modes","Organometallics","2012","31","23","8208","","10.1021/om300820b","","","0.71073","MoKα","","0.056","0.0377","","","0.0646","0.0705","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079558","9.587","0.003","27.381","0.007","9.049","0.002","90","","108.11","0.004","90","","2257.7","1","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 O P Ti -","- C26 H29 O P Ti -","- C104 H116 O4 P4 Ti4 -","4","1","","Li, Ling; Kristian, Kathleen E.; Han, Arthur; Norton, Jack R.; Sattler, Wesley","Synthesis, Structural Characterization, and Reactivity of Cp2- and (CpMe)2-Ligated Titanaaziridines and Titanaoxiranes with Fast Enantiomer Interconversion Rates","Organometallics","2012","31","23","8218","","10.1021/om300825n","","","0.71073","MoKα","","0.1134","0.0613","","","0.1175","0.1329","","","","","","1.236","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079559","8.4169","0.0015","25.405","0.005","10.081","0.0018","90","","99.494","0.003","90","","2126.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N P Ti -","- C26 H30 N P Ti -","- C104 H120 N4 P4 Ti4 -","4","1","","Li, Ling; Kristian, Kathleen E.; Han, Arthur; Norton, Jack R.; Sattler, Wesley","Synthesis, Structural Characterization, and Reactivity of Cp2- and (CpMe)2-Ligated Titanaaziridines and Titanaoxiranes with Fast Enantiomer Interconversion Rates","Organometallics","2012","31","23","8218","","10.1021/om300825n","","","0.71073","MoKα","","0.1019","0.052","","","0.1077","0.1256","","","","","","1.019","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079560","10.8928","0.0011","17","0.0016","13.9797","0.0015","90","","112.195","0.003","90","","2396.9","0.4","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Fe2 N O6 S -","- C26 H17 Fe2 N O6 S -","- C104 H68 Fe8 N4 O24 S4 -","4","1","","Hirotsu, Masakazu; Santo, Kiyokazu; Hashimoto, Hideki; Kinoshita, Isamu","Carbon- and Sulfur-Bridged Diiron Carbonyl Complexes Containing N,C,S-Tridentate Ligands Derived from Functionalized Dibenzothiophenes: Mimics of the [FeFe]-Hydrogenase Active Site","Organometallics","2012","31","21","7548","","10.1021/om300826y","","","0.7107","MoKα","","0.0752","0.05","","","0.0869","0.0945","","","","","","1.105","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079561","39.0863","0.0006","39.0863","0.0006","8.5612","0.0001","90","","90","","120","","11327","0.3","133","","133","","","","","","","","","6","R 3 :H","R 3","146","","","","- C26 H17 Fe2 N O5 S -","- C26 H17 Fe2 N O5 S -","- C468 H306 Fe36 N18 O90 S18 -","18","2","","Hirotsu, Masakazu; Santo, Kiyokazu; Hashimoto, Hideki; Kinoshita, Isamu","Carbon- and Sulfur-Bridged Diiron Carbonyl Complexes Containing N,C,S-Tridentate Ligands Derived from Functionalized Dibenzothiophenes: Mimics of the [FeFe]-Hydrogenase Active Site","Organometallics","2012","31","21","7548","","10.1021/om300826y","","","0.7107","MoKα","","0.0429","0.0414","","","0.1434","0.1452","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079562","19.7883","0.0008","12.332","0.0004","7.1152","0.0013","90","","99.058","0.003","90","","1714.7","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl N4 O Rh -","- C16 H22 Cl N4 O Rh -","- C64 H88 Cl4 N16 O4 Rh4 -","4","1","","Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian","Converting Caffeine to Electronically Different N-Heterocyclic Carbenes with a Hypoxanthine Backbone","Organometallics","2012","31","20","7272","","10.1021/om300836w","","","0.71073","MoKα","","0.0375","0.0327","","","0.0834","0.0854","","","","","","1.098","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079563","11.616","0.002","9.597","0.0019","11.503","0.002","90","","99.45","0.03","90","","1264.9","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 B2 F8 N8 O2 -","- C18 H26 B2 F8 N8 O2 -","- C36 H52 B4 F16 N16 O4 -","2","0.5","","Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian","Converting Caffeine to Electronically Different N-Heterocyclic Carbenes with a Hypoxanthine Backbone","Organometallics","2012","31","20","7272","","10.1021/om300836w","","","0.71073","MoKα","","0.089","0.0722","","","0.1353","0.1414","","","","","","1.158","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079564","16.0057","0.0015","7.38","0.0006","14.2247","0.0013","90","","95.556","0.002","90","","1672.4","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Ag4 Cl F0 N4 O10 -","- C7 H6 Ag4 Cl N4 O10 -","- C28 H24 Ag16 Cl4 N16 O40 -","4","1","","Hu, Ting; Zhao, Liang; Mak, Thomas C. W.","Assembly of Silver-Organic Frameworks and Discrete Molecules Containing Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor Ligands","Organometallics","2012","31","21","7539","","10.1021/om300838r","","","0.71073","MoKα","","0.0644","0.0577","","","0.1531","0.1625","","","","","","1.003","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079565","14.6177","0.0008","18.9092","0.001","19.2789","0.001","62.212","0.001","87.756","0.001","76.251","0.001","4563.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H30 Ag13 Cl7 F27 N7 O19 -","- C61 H29 Ag13 Cl7 F27 N7 O19 -","- C122 H58 Ag26 Cl14 F54 N14 O38 -","2","1","","Hu, Ting; Zhao, Liang; Mak, Thomas C. W.","Assembly of Silver-Organic Frameworks and Discrete Molecules Containing Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor Ligands","Organometallics","2012","31","21","7539","","10.1021/om300838r","","","0.71073","MoKα","","0.1029","0.0736","","","0.183","0.2076","","","","","","1.02","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079566","14.6146","0.0008","19.0197","0.0011","19.3313","0.0011","62.543","0.001","87.711","0.001","76.841","0.001","4629.8","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H30 Ag13 Br7 F27 N7 O19 -","- C61 H29 Ag13 Br7 F27 N7 O19 -","- C122 H58 Ag26 Br14 F54 N14 O38 -","2","1","","Hu, Ting; Zhao, Liang; Mak, Thomas C. W.","Assembly of Silver-Organic Frameworks and Discrete Molecules Containing Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor Ligands","Organometallics","2012","31","21","7539","","10.1021/om300838r","","","0.71073","MoKα","","0.0923","0.0694","","","0.1819","0.2039","","","","","","1.002","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079567","7.7662","0.0008","13.7809","0.0013","18.9613","0.0018","109.657","0.002","92.874","0.002","98.726","0.002","1877.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 Ag14 F30 N6 O26 -","- C43 H29 Ag14 F30 N6 O26 -","- C43 H29 Ag14 F30 N6 O26 -","1","0.5","","Hu, Ting; Zhao, Liang; Mak, Thomas C. W.","Assembly of Silver-Organic Frameworks and Discrete Molecules Containing Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor Ligands","Organometallics","2012","31","21","7539","","10.1021/om300838r","","","0.71073","MoKα","","0.0856","0.0678","","","0.1837","0.2083","","","","","","0.959","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079568","12.1322","0.0006","16.2592","0.0008","18.0363","0.0009","80.571","0.001","82.94","0.001","75.276","0.001","3382.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H24 Ag8 F18 N12 O12 -","- C52 H24 Ag8 F18 N12 O12 -","- C104 H48 Ag16 F36 N24 O24 -","2","1","","Hu, Ting; Zhao, Liang; Mak, Thomas C. W.","Assembly of Silver-Organic Frameworks and Discrete Molecules Containing Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor Ligands","Organometallics","2012","31","21","7539","","10.1021/om300838r","","","0.71073","MoKα","","0.0853","0.0726","","","0.1824","0.1929","","","","","","1.038","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079569","14.9245","0.0019","16.1583","0.0018","25.451","0.003","98.792","0.002","99.649","0.003","97.927","0.002","5894.9","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Ag12 F30 N16 O20 -","- C44 H28 Ag12 F30 N20 O20 -","- C132 H84 Ag36 F90 N60 O60 -","3","1.5","","Hu, Ting; Zhao, Liang; Mak, Thomas C. W.","Assembly of Silver-Organic Frameworks and Discrete Molecules Containing Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor Ligands","Organometallics","2012","31","21","7539","","10.1021/om300838r","","","0.71073","MoKα","","0.1127","0.0698","","","0.1751","0.2034","","","","","","1.004","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079570","10.9124","0.0013","11.399","0.0012","14.8482","0.0018","83.332","0.005","78.022","0.005","63.468","0.004","1615.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 Cr N2 O3 S -","- C36 H43 Cr N2 O3 S -","- C72 H86 Cr2 N4 O6 S2 -","2","1","","Zhou, Wen; MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Controlling Secondary Alkyl Radicals: Ligand Effects in Chromium-Catalyzed C‒P Bond Formation","Organometallics","2012","31","21","7324","","10.1021/om300846u","","","0.71073","MoKα","","0.059","0.0398","","","0.0937","0.1031","","","","","","1.05","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079571","14.8508","0.0014","10.1551","0.001","20.959","0.002","90","","99.007","0.005","90","","3121.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Cr N2 -","- C35 H47 Cr N2 -","- C140 H188 Cr4 N8 -","4","1","","Zhou, Wen; MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Controlling Secondary Alkyl Radicals: Ligand Effects in Chromium-Catalyzed C‒P Bond Formation","Organometallics","2012","31","21","7324","","10.1021/om300846u","","","0.71073","MoKα","","0.0731","0.0544","","","0.1365","0.1507","","","","","","1.081","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079572","12.4705","0.0004","24.0249","0.0011","17.0948","0.0008","90","","107.785","0.002","90","","4876.9","0.4","223","","","","","","","","","","Chen laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H55 Cl7 N2 Nb O3 -","- C42 H55 Cl7 N2 Nb O3 -","- C168 H220 Cl28 N8 Nb4 O12 -","4","1","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.71073","MoKα","","0.1121","0.0831","","","0.2192","0.2397","","","","","","1.502","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079573","13.2231","0.0002","17.5266","0.0003","17.9374","0.0003","81.6621","0.0007","84.7026","0.0007","71.3669","0.0008","3892.87","0.11","223","","","","","","","","","","Chen laboratory","7","P -1","-P 1","2","","","","- C68 H58 B F24 N2 Nb O3 -","- C80 H70 B F24 N2 Nb O3 -","- C160 H140 B2 F48 N4 Nb2 O6 -","2","1","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.71073","MoKα","","0.0833","0.0639","","","0.1734","0.1871","","","","","","1.237","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079574","14.2665","0.0003","29.5664","0.0007","20.3114","0.0004","90","","91.759","0.002","90","","8563.5","0.3","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H104 N8 Nb2 O14 Re2 -","- C80 H104 N8 Nb2 O14 Re2 -","- C320 H416 N32 Nb8 O56 Re8 -","4","1","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.7107","MoKα","","0.1259","0.0789","","","0.168","0.1973","","","","","","1.083","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079575","14.4884","0.0005","14.4884","0.0005","14.8018","0.0008","90","","90","","120","","2690.8","0.2","223","","","","","","","","","","LOC ETH Zurich","5","P 31","P 31","144","","","","- C32 H27 B F18 O3 -","- C32 H25 B F18 O3 -","- C96 H75 B3 F54 O9 -","3","1","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.71073","MoKα","","0.1229","0.0909","","","0.2249","0.2505","","","","","","1.459","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079576","8.3321","0.0008","9.0137","0.0009","11.2232","0.0013","96.331","0.004","97.728","0.004","97.406","0.007","821.26","0.15","123","","123","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C16 H6 F12 Zn -","- C16 H6 F12 Zn -","- C32 H12 F24 Zn2 -","2","1","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.71073","MoKα","","0.0787","0.0544","","","0.1372","0.158","","","","","","0.938","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079577","8.0748","0.0001","8.2184","0.0001","19.4944","0.0004","85.3479","0.0007","79.6964","0.0007","85.5089","0.0009","1265.94","0.03","173","","","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C16 H6 F12 Zn -","- C16 H6 F12 Zn -","- C48 H18 F36 Zn3 -","3","1.5","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.71073","MoKα","","0.0587","0.0488","","","0.1552","0.1656","","","","","","1.239","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079578","4.9059","0.0002","14.4229","0.0006","29.9958","0.0014","90","","94.3779","0.0013","90","","2116.23","0.16","173","","","","","","","","","","LOC ETH Zurich","5","P 1 21/c 1","-P 2ybc","14","","(3,5-bis(trifluoromethyl)phenyl)trioxorhenium","","- C8 H3 F6 O3 Re -","- C8 H3 F6 O3 Re -","- C64 H24 F48 O24 Re8 -","8","2","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.71073","MoKα","","0.0956","0.0563","","","0.1381","0.1625","","","","","","0.976","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079579","6.4296","0.0002","9.5288","0.0003","10.3429","0.0004","71.8948","0.0013","85.6748","0.0013","80.0861","0.0014","593.14","0.04","223","","","","","","","","","","LOC ETH Zurich","5","P -1","-P 1","2","","","","- C10 H8 F5 O4 Re -","- C10 H8 F5 O4 Re -","- C20 H16 F10 O8 Re2 -","2","1","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.71073","MoKα","","0.0531","0.0485","","","0.1278","0.1344","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079580","11.491","0.002","9.349","0.002","19.309","0.003","90","","98.205","0.007","90","","2053.1","0.7","173","","","","","","","","","","LOC ETH Zurich","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H3 B F15 O3 Re -","- C19 H3 B F15 O3 Re -","- C76 H12 B4 F60 O12 Re4 -","4","1","","Lai, Yu-Ying; Bornand, Marc; Chen, Peter","Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts","Organometallics","2012","31","21","7558","","10.1021/om300852s","","","0.71073","MoKα","","0.1546","0.0971","","","0.2223","0.2532","","","","","","1.337","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079581","12.1771","0.0009","22.5073","0.0016","21.2123","0.0014","90","","90.543","0.006","90","","5813.5","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Al F36 Ga O4 Si2 -","- C40 H54 Al F36 Ga O4 Si2 -","- C160 H216 Al4 F144 Ga4 O16 Si8 -","4","1","","Budanow, Alexandra; Sinke, Tanja; Tillmann, Jan; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Two-Coordinate Gallium Ion [tBu3Si-Ga-SitBu3]+and the Halonium Ions [tBu3Si-X-SitBu3]+(X = Br, I): Sources of the Supersilyl Cation [tBu3Si]+","Organometallics","2012","31","20","7298","","10.1021/om300854e","","","0.71073","MoKα","","0.175","0.1191","","","0.286","0.321","","","","","","1.045","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079582","9.6557","0.0008","10.7803","0.0009","19.4906","0.0017","83.319","0.002","79.01","0.002","73.73","0.002","1907.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 N O2 W -","- C45 H47 N O2 W -","- C90 H94 N2 O4 W2 -","2","1","","Peryshkov, Dmitry V.; Schrock, Richard R.","Synthesis of Tungsten Oxo Alkylidene Complexes","Organometallics","2012","31","20","7278","","10.1021/om3008579","","","0.71073","MoKα","","0.0254","0.0209","","","0.0463","0.0479","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079583","12.0498","0.0005","21.0063","0.001","17.9963","0.0008","90","","95.365","0.001","90","","4535.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 F10 N O2 P W -","- C49 H46 F10 N O2 P W -","- C196 H184 F40 N4 O8 P4 W4 -","4","1","","Peryshkov, Dmitry V.; Schrock, Richard R.","Synthesis of Tungsten Oxo Alkylidene Complexes","Organometallics","2012","31","20","7278","","10.1021/om3008579","","","0.71073","MoKα","","0.0297","0.0259","","","0.0559","0.0573","","","","","","1.066","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079584","9.3385","0.001","12.9036","0.0014","15.714","0.0018","91.207","0.002","92.359","0.002","99.81","0.002","1863.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H58 O3 Si W -","- C39 H58 O3 Si W -","- C78 H116 O6 Si2 W2 -","2","1","","Peryshkov, Dmitry V.; Schrock, Richard R.","Synthesis of Tungsten Oxo Alkylidene Complexes","Organometallics","2012","31","20","7278","","10.1021/om3008579","","","0.71073","MoKα","","0.0338","0.0255","","","0.0506","0.0531","","","","","","1.028","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079585","15.1114","0.0007","15.4585","0.0007","17.5246","0.0008","90","","96.535","0.001","90","","4067.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H53 O3 W -","- C49 H51.4212 O3 W -","- C196 H205.685 O12 W4 -","4","1","","Peryshkov, Dmitry V.; Schrock, Richard R.","Synthesis of Tungsten Oxo Alkylidene Complexes","Organometallics","2012","31","20","7278","","10.1021/om3008579","","","0.71073","MoKα","","0.0481","0.0409","","","0.0803","0.0824","","","","","","1.21","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079586","22.8075","0.0009","7.9164","0.0003","10.481","0.0004","90","","96.834","0.002","90","","1878.93","0.13","150","2","150","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C31 H36 Br2 F12 N2 O P2 Pd2 -","- C31 H36 Br2 F12 N2 O P2 Pd2 -","- C62 H72 Br4 F24 N4 O2 P4 Pd4 -","2","0.5","","Mantas-Öktem, Kevser; Öfele, Karl; Pöthig, Alexander; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.","Reactions of Nitrogen Donors with Cycloheptatrienylidene Complexes: Metal Coordination versus Nucleophilic Attack on the Carbene Ligand","Organometallics","2012","31","23","8249","","10.1021/om300867g","","","0.71073","MoKα","","0.0197","0.0192","","","0.0485","0.0487","","","","","","1.045","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079587","21.9709","0.0011","9.1344","0.0005","9.2153","0.0005","90","","90","","90","","1849.43","0.17","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H17 Br2 Cl2 N Pd -","- C15 H17 Br2 Cl2 N Pd -","- C60 H68 Br8 Cl8 N4 Pd4 -","4","0.5","","Mantas-Öktem, Kevser; Öfele, Karl; Pöthig, Alexander; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.","Reactions of Nitrogen Donors with Cycloheptatrienylidene Complexes: Metal Coordination versus Nucleophilic Attack on the Carbene Ligand","Organometallics","2012","31","23","8249","","10.1021/om300867g","","","0.71073","MoKα","","0.0241","0.0225","","","0.0511","0.0523","","","","","","1.138","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079588","5.6405","0.0002","8.1669","0.0003","14.238","0.0005","87.7186","0.0013","88.2397","0.0012","80.5587","0.0013","646.29","0.04","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Br2 N2 Pd -","- C11 H12 Br2 N2 Pd -","- C22 H24 Br4 N4 Pd2 -","2","1","","Mantas-Öktem, Kevser; Öfele, Karl; Pöthig, Alexander; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.","Reactions of Nitrogen Donors with Cycloheptatrienylidene Complexes: Metal Coordination versus Nucleophilic Attack on the Carbene Ligand","Organometallics","2012","31","23","8249","","10.1021/om300867g","","x-ray","0.71073","MoKα","","0.0142","0.0127","","","0.0286","0.0291","","","","","","1.046","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079589","7.6656","0.0002","14.1637","0.0003","24.7041","0.0006","90","","92.9724","0.001","90","","2678.6","0.11","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br4 N4 O2 Pd3 -","- C22 H24 Br4 N4 O2 Pd3 -","- C88 H96 Br16 N16 O8 Pd12 -","4","1","","Mantas-Öktem, Kevser; Öfele, Karl; Pöthig, Alexander; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.","Reactions of Nitrogen Donors with Cycloheptatrienylidene Complexes: Metal Coordination versus Nucleophilic Attack on the Carbene Ligand","Organometallics","2012","31","23","8249","","10.1021/om300867g","","x-ray","0.71073","MoKα","","0.04","0.0347","","","0.0815","0.0837","","","","","","1.046","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079590","9.5527","0.0009","10.1487","0.0009","22.1979","0.0016","89.341","0.003","82.406","0.003","64.476","0.003","1922.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Br4 N2 O2 Pd -","- C22 H28 Br4 N2 O2 Pd -","- C66 H84 Br12 N6 O6 Pd3 -","3","1.5","","Mantas-Öktem, Kevser; Öfele, Karl; Pöthig, Alexander; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E.","Reactions of Nitrogen Donors with Cycloheptatrienylidene Complexes: Metal Coordination versus Nucleophilic Attack on the Carbene Ligand","Organometallics","2012","31","23","8249","","10.1021/om300867g","","","0.71073","MoKα","","0.0242","0.0231","","","0.0644","0.0652","","","","","","1.121","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079591","12.5208","0.0002","18.2828","0.0003","24.9107","0.0005","90","","90","","90","","5702.44","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24.5 H13.5 Cl4.5 N7 O3 Re -","- C24.5 H13.5 Cl4.5 N7 O3 Re -","- C196 H108 Cl36 N56 O24 Re8 -","8","1","","Wright, Phillip J.; Muzzioli, Sara; Werrett, Melissa V.; Raiteri, Paolo; Skelton, Brian W.; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes","Organometallics","2012","31","21","7566","","10.1021/om300870a","","","0.71073","MoKα","","0.0628","0.0437","","","0.0966","0.1026","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079592","20.3187","0.0006","8.6848","0.0005","24.455","0.0007","90","","108.812","0.003","90","","4084.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N7 O3 Re -","- C21 H12 N7 O3 Re -","- C168 H96 N56 O24 Re8 -","8","1","","Wright, Phillip J.; Muzzioli, Sara; Werrett, Melissa V.; Raiteri, Paolo; Skelton, Brian W.; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes","Organometallics","2012","31","21","7566","","10.1021/om300870a","","","0.71073","MoKα","","0.0411","0.0267","","","0.051","0.0525","","","","","","0.858","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079593","11.5325","0.0003","14.999","0.0005","16.5483","0.0004","90","","95.276","0.002","90","","2850.33","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F6 N7 O3 P Re -","- C25 H21 F6 N7 O3 P Re -","- C100 H84 F24 N28 O12 P4 Re4 -","4","1","","Wright, Phillip J.; Muzzioli, Sara; Werrett, Melissa V.; Raiteri, Paolo; Skelton, Brian W.; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes","Organometallics","2012","31","21","7566","","10.1021/om300870a","","","0.71073","MoKα","","0.0677","0.0337","","","0.0555","0.0591","","","","","","0.861","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079594","11.276","0.005","13.079","0.005","14.516","0.005","92.17","0.005","92.134","0.005","99.976","0.005","2104.8","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H26 F6 N9 O7 P Re2 -","- C41 H26 F6 N9 O7 P Re2 -","- C82 H52 F12 N18 O14 P2 Re4 -","2","1","","Wright, Phillip J.; Muzzioli, Sara; Werrett, Melissa V.; Raiteri, Paolo; Skelton, Brian W.; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes","Organometallics","2012","31","21","7566","","10.1021/om300870a","","","0.71073","MoKα","","0.0794","0.0497","","","0.1099","0.1192","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079595","13.5106","0.0011","13.9668","0.0012","14.3512","0.001","72.813","0.007","63.262","0.008","75.253","0.007","2286.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38.5 H25 Cl5 F6 N9 O6 P Re2 -","- C38.5 H25 Cl5 F6 N9 O6 P Re2 -","- C77 H50 Cl10 F12 N18 O12 P2 Re4 -","2","1","","Wright, Phillip J.; Muzzioli, Sara; Werrett, Melissa V.; Raiteri, Paolo; Skelton, Brian W.; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes","Organometallics","2012","31","21","7566","","10.1021/om300870a","","","0.71073","MoKα","","0.1446","0.0593","","","0.1044","0.1165","","","","","","0.803","","","","has coordinates,has disorder","287892","2023-11-30","16:04:10",""
"4079596","15.9559","0.0006","11.4221","0.0004","21.7288","0.0008","90","","90","","90","","3960.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H30 N3 P -","- C19 H30 N3 P -","- C152 H240 N24 P8 -","8","1","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Zarudnitskii, Evgeniy V.; Hurieva, Anastasiya N.; Kirilchuk, Andrey A.; Yurchenko, Aleksandr A.; Biffis, Andrea; Kostyuk, Aleksandr N.","Stable N-Phosphorylated 1,2,4-Triazol-5-ylidenes: Novel Ligands for Metal Complexes","Organometallics","2012","31","23","8257","","10.1021/om300872g","","","0.71073","MoKα","","0.1157","0.0632","","","0.1354","0.1579","","","","","","1.008","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079597","23.6688","0.0008","11.2177","0.0003","22.725","0.0011","90","","114.363","0.001","90","","5496.4","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C44 H65 Ag2 F6 N9 O6 P2 S2 -","- C44 H65 Ag2 F6 N9 O6 P2 S2 -","- C176 H260 Ag8 F24 N36 O24 P8 S8 -","4","1","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Zarudnitskii, Evgeniy V.; Hurieva, Anastasiya N.; Kirilchuk, Andrey A.; Yurchenko, Aleksandr A.; Biffis, Andrea; Kostyuk, Aleksandr N.","Stable N-Phosphorylated 1,2,4-Triazol-5-ylidenes: Novel Ligands for Metal Complexes","Organometallics","2012","31","23","8257","","10.1021/om300872g","","","0.71073","MoKα","","0.0602","0.0468","","","0.0959","0.1032","","","","","","1.019","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079598","12.7925","0.0004","15.2069","0.0005","14.7165","0.0005","90","","108.833","0.0017","90","","2709.59","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 Cl8 Cr2 N8 -","- C49 H62 Cl8 Cr2 N8 -","- C98 H124 Cl16 Cr4 N16 -","2","0.5","","Thagfi, Jameel Al; Lavoie, Gino G.","Preparation and Reactivity Study of Chromium(III), Iron(II), and Cobalt(II) Complexes of 1,3-Bis(imino)benzimidazol-2-ylidene and 1,3-Bis(imino)pyrimidin-2-ylidene","Organometallics","2012","31","21","7351","","10.1021/om300873k","","","1.54178","CuKα","","0.0465","0.0414","","","0.1087","0.113","","","","","","1.051","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079599","12.373","0.004","12.529","0.002","24.461","0.005","90","","90","","90","","3792","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Cl2 Ni P2 -","- C14 H30 Cl2 Ni P2 -","- C112 H240 Cl16 Ni8 P16 -","8","2","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.071","0.0638","","","0.1619","0.1761","","","","","","1.065","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079600","8.298","0.003","19.97","0.006","8.468","0.002","90","","105.993","0.016","90","","1348.9","0.7","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 Cl2 P2 Pd -","- C24 H46 Cl2 P2 Pd -","- C48 H92 Cl4 P4 Pd2 -","2","1","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.0759","0.0658","","","0.1758","0.1914","","","","","","0.976","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079601","8.5322","0.0002","12.0949","0.0003","22.4379","0.0005","90","","90","","90","","2315.5","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 Cl2 P2 Pd -","- C18 H38 Cl2 P2 Pd -","- C72 H152 Cl8 P8 Pd4 -","4","1","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.0424","0.0307","","","0.0541","0.0597","","","","","","1.049","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079602","8.503","0.0003","13.0765","0.0005","22.5786","0.0008","90","","90","","90","","2510.5","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H42 Cl2 P2 Pd -","- C20 H42 Cl2 P2 Pd -","- C80 H168 Cl8 P8 Pd4 -","4","1","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.0707","0.0533","","","0.1249","0.1379","","","","","","1.04","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079603","8.0418","0.0003","10.5872","0.0004","22.0696","0.0009","90","","90","","90","","1879.01","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Cl2 P2 Pd -","- C14 H30 Cl2 P2 Pd -","- C56 H120 Cl8 P8 Pd4 -","4","1","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.0755","0.0457","","","0.0732","0.0842","","","","","","1.049","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079604","13.924","0.003","11.621","0.002","15.686","0.003","90","","102.12","0.03","90","","2481.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 N4 O2 P2 Si2 -","- C54 H66 N4 O2 P2 Si2 -","- C108 H132 N8 O4 P4 Si4 -","2","0.5","","Azhakar, Ramachandran; Pröpper, Kevin; Dittrich, Birger; Roesky, Herbert W.","Reactivity Studies of Heteroleptic Silylenes with N2O","Organometallics","2012","31","21","7586","","10.1021/om3008794","","","1.54178","CuKα","","0.036","0.0343","","","0.0897","0.091","","","","","","1.04","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079605","12.4224","0.0003","11.5174","0.0003","21.055","0.0006","90","","101.291","0.001","90","","2954.11","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H82 N6 O2 Si2 -","- C68 H82 N6 O2 Si2 -","- C136 H164 N12 O4 Si4 -","2","0.5","","Azhakar, Ramachandran; Pröpper, Kevin; Dittrich, Birger; Roesky, Herbert W.","Reactivity Studies of Heteroleptic Silylenes with N2O","Organometallics","2012","31","21","7586","","10.1021/om3008794","","","1.54178","CuKα","","0.0403","0.036","","","0.1026","0.1195","","","","","","1.163","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079606","10.0862","0.0002","17.4581","0.0004","11.1872","0.0003","90","","111.728","0.001","90","","1829.95","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H58 N6 O2 Si2 -","- C34 H58 N6 O2 Si2 -","- C68 H116 N12 O4 Si4 -","2","1","","Azhakar, Ramachandran; Pröpper, Kevin; Dittrich, Birger; Roesky, Herbert W.","Reactivity Studies of Heteroleptic Silylenes with N2O","Organometallics","2012","31","21","7586","","10.1021/om3008794","","","1.54178","CuKα","","0.0307","0.0306","","","0.0843","0.0844","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079607","17.9505","0.0003","10.5143","0.0002","61.5855","0.0012","90","","90.35","0.001","90","","11623.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 N4 O4 Si2 -","- C38 H64 N4 O4 Si2 -","- C456 H768 N48 O48 Si24 -","12","1.5","","Azhakar, Ramachandran; Pröpper, Kevin; Dittrich, Birger; Roesky, Herbert W.","Reactivity Studies of Heteroleptic Silylenes with N2O","Organometallics","2012","31","21","7586","","10.1021/om3008794","","","1.54178","CuKα","","0.0414","0.0363","","","0.0868","0.0909","","","","","","1.061","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079608","8.7409","0.0004","9.3138","0.0004","9.5751","0.0005","91.689","0.003","114.048","0.002","93.273","0.002","709.51","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H52 Mg2 O4 -","- C26 H52 Mg2 O4 -","- C26 H52 Mg2 O4 -","1","0.5","","Fischer, Reinald; Suxdorf, Regina; Görls, Helmar; Westerhausen, Matthias","Synthesis, Crystal Structures, and Solution Behavior of Organomagnesium Derivatives of Alkane-1,4-diide as Well as -1,5-diide","Organometallics","2012","31","21","7579","","10.1021/om300880f","","","0.71073","MoKα","","0.047","0.0406","","","0.1013","0.1092","","","","","","1.023","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079609","7.6841","0.0003","7.8489","0.0004","11.662","0.0007","85.92","0.003","82.19","0.003","70.24","0.003","655.56","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 Mg O2 -","- C12 H24 Mg O2 -","- C24 H48 Mg2 O4 -","2","1","","Fischer, Reinald; Suxdorf, Regina; Görls, Helmar; Westerhausen, Matthias","Synthesis, Crystal Structures, and Solution Behavior of Organomagnesium Derivatives of Alkane-1,4-diide as Well as -1,5-diide","Organometallics","2012","31","21","7579","","10.1021/om300880f","","","0.71073","MoKα","","0.0879","0.0628","","","0.1283","0.1395","","","","","","1.039","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079610","8.9828","0.0004","19.2048","0.0009","10.3053","0.0003","90","","96.62","0.003","90","","1765.94","0.13","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Mg2 O4 -","- C32 H64 Mg2 O4 -","- C64 H128 Mg4 O8 -","2","0.5","","Fischer, Reinald; Suxdorf, Regina; Görls, Helmar; Westerhausen, Matthias","Synthesis, Crystal Structures, and Solution Behavior of Organomagnesium Derivatives of Alkane-1,4-diide as Well as -1,5-diide","Organometallics","2012","31","21","7579","","10.1021/om300880f","","","0.71073","MoKα","","0.0694","0.0542","","","0.1204","0.127","","","","","","1.11","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079611","19.5821","0.0004","10.7592","0.0002","18.7599","0.0004","90","","116.776","0.001","90","","3528.67","0.13","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Mg2 O4 -","- C32 H64 Mg2 O4 -","- C128 H256 Mg8 O16 -","4","1","","Fischer, Reinald; Suxdorf, Regina; Görls, Helmar; Westerhausen, Matthias","Synthesis, Crystal Structures, and Solution Behavior of Organomagnesium Derivatives of Alkane-1,4-diide as Well as -1,5-diide","Organometallics","2012","31","21","7579","","10.1021/om300880f","","","0.71073","MoKα","","0.1167","0.0841","","","0.1948","0.219","","","","","","1.043","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079612","19.2359","0.0002","18.127","0.0003","14.9726","0.0002","90","","90.343","0.001","90","","5220.69","0.12","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Li2 Mg N4 -","- C20 H48 Li2 Mg N4 -","- C160 H384 Li16 Mg8 N32 -","8","2","","Fischer, Reinald; Suxdorf, Regina; Görls, Helmar; Westerhausen, Matthias","Synthesis, Crystal Structures, and Solution Behavior of Organomagnesium Derivatives of Alkane-1,4-diide as Well as -1,5-diide","Organometallics","2012","31","21","7579","","10.1021/om300880f","","","0.71073","MoKα","","0.0968","0.078","","","0.1906","0.2063","","","","","","1.033","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079613","11.1834","0.0002","9.7428","0.0001","14.183","0.0003","90","","93.891","0.001","90","","1541.78","0.05","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H50 Li2 Mg N4 -","- C28 H50 Li2 Mg N4 -","- C56 H100 Li4 Mg2 N8 -","2","1","","Fischer, Reinald; Suxdorf, Regina; Görls, Helmar; Westerhausen, Matthias","Synthesis, Crystal Structures, and Solution Behavior of Organomagnesium Derivatives of Alkane-1,4-diide as Well as -1,5-diide","Organometallics","2012","31","21","7579","","10.1021/om300880f","","","0.71073","MoKα","","0.0379","0.0358","","","0.0828","0.0849","","","","","","1.089","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079614","19.304","0.002","12.9649","0.0017","31.376","0.004","90","","96.953","0.003","90","","7794.9","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 Mo O2 -","- C54 H38 Mo O2 -","- C432 H304 Mo8 O16 -","8","2","","Adams, Harry; Brown, Patrick; Cook, Elizabeth S.; Hanson, Robert J.; Morris, Michael J.","Oligomerization of Phenylacetylene to Coordinated 2,3,6-Triphenylfulvene in Molybdenum Tetracyclone Complexes","Organometallics","2012","31","21","7622","","10.1021/om3008844","","","0.71073","MoKα","","0.1847","0.0657","","","0.1171","0.155","","","","","","0.919","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079615","12.2922","0.0011","12.6307","0.0012","18.1414","0.0019","106.951","0.006","90.423","0.006","108.238","0.005","2543.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cl2 Mo O2 -","- C58 H46 Cl2 Mo O2 -","- C116 H92 Cl4 Mo2 O4 -","2","1","","Adams, Harry; Brown, Patrick; Cook, Elizabeth S.; Hanson, Robert J.; Morris, Michael J.","Oligomerization of Phenylacetylene to Coordinated 2,3,6-Triphenylfulvene in Molybdenum Tetracyclone Complexes","Organometallics","2012","31","21","7622","","10.1021/om3008844","","","0.71073","MoKα","","0.0767","0.0496","","","0.1236","0.1342","","","","","","0.966","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079616","33.015","0.002","14.7148","0.001","17.6141","0.0012","90","","107.621","0.004","90","","8155.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H53 Cl5 Fe N4 -","- C36 H53 Cl5 Fe N4 -","- C288 H424 Cl40 Fe8 N32 -","8","1","","Kaplan, Hilan Z.; Li, Bo; Byers, Jeffery A.","Synthesis and Characterization of a Bis(imino)-N-heterocyclic Carbene Analogue to Bis(imino)pyridine Iron Complexes","Organometallics","2012","31","21","7343","","10.1021/om300885d","","","0.71073","MoKα","","0.0679","0.0498","","","0.1229","0.1354","","","","","","1.022","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079617","21.4058","0.0009","21.4058","0.0009","35.1534","0.0016","90","","90","","90","","16107.6","1.2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C34.25 H50.5 Cl6.5 Fe N4 -","- C34.25 H50.5 Cl6.5 Fe N4 -","- C548 H808 Cl104 Fe16 N64 -","16","1","","Kaplan, Hilan Z.; Li, Bo; Byers, Jeffery A.","Synthesis and Characterization of a Bis(imino)-N-heterocyclic Carbene Analogue to Bis(imino)pyridine Iron Complexes","Organometallics","2012","31","21","7343","","10.1021/om300885d","","","0.71073","MoKα","","0.0559","0.0433","","","0.1152","0.1253","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079618","31.4145","0.0011","16.7828","0.0005","15.8496","0.0005","90","","97.13","0.002","90","","8291.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H46 Cl2 Fe N4 -","- C33 H46 Cl2 Fe N4 -","- C264 H368 Cl16 Fe8 N32 -","8","1","","Kaplan, Hilan Z.; Li, Bo; Byers, Jeffery A.","Synthesis and Characterization of a Bis(imino)-N-heterocyclic Carbene Analogue to Bis(imino)pyridine Iron Complexes","Organometallics","2012","31","21","7343","","10.1021/om300885d","","","0.71073","MoKα","","0.0928","0.0609","","","0.1755","0.1956","","","","","","1.096","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079619","9.2047","0.0005","16.1146","0.0009","26.2389","0.0015","90","","95.821","0.004","90","","3871.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H110 Cl6 Fe2 N8 O2 -","- C72 H110 Cl6 Fe2 N8 O2 -","- C144 H220 Cl12 Fe4 N16 O4 -","2","0.5","","Kaplan, Hilan Z.; Li, Bo; Byers, Jeffery A.","Synthesis and Characterization of a Bis(imino)-N-heterocyclic Carbene Analogue to Bis(imino)pyridine Iron Complexes","Organometallics","2012","31","21","7343","","10.1021/om300885d","","","0.71073","MoKα","","0.1592","0.0758","","","0.1602","0.1861","","","","","","1.028","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079620","9.888","0.0002","10.87","0.0003","13.5542","0.0003","90","","108.792","0.002","90","","1379.18","0.06","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 F6 N6 O6 S2 -","- C22 H26 F6 N6 O6 S2 -","- C44 H52 F12 N12 O12 S4 -","2","0.5","","Grohmann, Christoph; Hashimoto, Takayoshi; Fröhlich, Roland; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank","An Iron(II) Complex of a Diamine-Bridged Bis-N-Heterocyclic Carbene","Organometallics","2012","31","23","8047","","10.1021/om300888q","","","0.71073","MoKα","","0.095","0.0883","","","0.245","0.2508","","","","","","1.117","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079621","10.495","0.004","10.897","0.005","11.448","0.005","115.502","0.008","91.326","0.006","90.984","0.004","1180.8","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Cl2 Fe N7 -","- C22 H27 Cl2 Fe N7 -","- C44 H54 Cl4 Fe2 N14 -","2","1","","Grohmann, Christoph; Hashimoto, Takayoshi; Fröhlich, Roland; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank","An Iron(II) Complex of a Diamine-Bridged Bis-N-Heterocyclic Carbene","Organometallics","2012","31","23","8047","","10.1021/om300888q","","","0.7107","MoKα","","","0.0276","","","","0.0686","","","","","","1.023","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079622","37.562","0.005","12.3451","0.0015","24.9","0.003","90","","105.618","0.001","90","","11120","2","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H35 Au F6 O P Sb -","- C24 H34 Au F6 O P Sb -","- C384 H544 Au16 F96 O16 P16 Sb16 -","16","2","","Zhu, Yuyang; Day, Cynthia S.; Jones, Amanda C.","Synthesis and Structure of Cationic Phosphine Gold(I) Enol Ether Complexes","Organometallics","2012","31","21","7332","","10.1021/om300893q","","","0.71073","MoKα","","0.0485","0.0377","","","0.0897","0.096","","","","","","1.028","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079623","9.0067","0.0009","25.08","0.002","11.9594","0.0011","90","","92.596","0.001","90","","2698.7","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Au F6 O P Sb -","- C24 H33 Au F6 O P Sb -","- C96 H132 Au4 F24 O4 P4 Sb4 -","4","1","","Zhu, Yuyang; Day, Cynthia S.; Jones, Amanda C.","Synthesis and Structure of Cationic Phosphine Gold(I) Enol Ether Complexes","Organometallics","2012","31","21","7332","","10.1021/om300893q","","","0.71073","MoKα","","0.0299","0.0251","","","0.0624","0.0646","","","","","","1.028","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079624","11.7396","0.0015","14.8313","0.0019","16.241","0.002","90","","92.386","0.001","90","","2825.3","0.6","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H35 Au F6 O P Sb -","- C25 H35 Au F6 O P Sb -","- C100 H140 Au4 F24 O4 P4 Sb4 -","4","1","","Zhu, Yuyang; Day, Cynthia S.; Jones, Amanda C.","Synthesis and Structure of Cationic Phosphine Gold(I) Enol Ether Complexes","Organometallics","2012","31","21","7332","","10.1021/om300893q","","","0.71073","MoKα","","0.0429","0.0359","","","0.077","0.0812","","","","","","0.873","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079625","8.2207","0.0012","15.516","0.002","9.7572","0.0014","90","","111.486","0.001","90","","1158.1","0.3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H35 Au F6 O P Sb -","- C16 H35 Au F6 O P Sb -","- C32 H70 Au2 F12 O2 P2 Sb2 -","2","1","","Zhu, Yuyang; Day, Cynthia S.; Jones, Amanda C.","Synthesis and Structure of Cationic Phosphine Gold(I) Enol Ether Complexes","Organometallics","2012","31","21","7332","","10.1021/om300893q","","","0.71073","MoKα","","0.0322","0.0299","","","0.0757","0.0777","","","","","","1.051","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079626","8.3567","0.0006","10.0489","0.0007","30.09","0.002","90","","90","","90","","2526.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br N O6 -","- C26 H26 Br N O6 -","- C104 H104 Br4 N4 O24 -","4","1","","Mei, Liang-yong; Wei, Yin; Xu, Qin; Shi, Min","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of Vinyl Cyclopropanes and β,γ-Unsaturated α-Keto Esters: An Effective Route to Highly Functionalized Cyclopentanes","Organometallics","2012","31","21","7591","","10.1021/om300896z","","","0.71073","MoKα","","0.0806","0.045","","","0.0974","0.1104","","","","","","0.974","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079627","7.746","0.0002","18.6267","0.0004","19.007","0.0004","90","","90","","90","","2742.38","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Mei, Liang-yong; Wei, Yin; Xu, Qin; Shi, Min","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of Vinyl Cyclopropanes and β,γ-Unsaturated α-Keto Esters: An Effective Route to Highly Functionalized Cyclopentanes","Organometallics","2012","31","21","7591","","10.1021/om300896z","","","1.54178","CuKα","","0.0499","0.0462","","","0.1501","0.1542","","","","","","1.081","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079628","9.2083","0.0005","6.8855","0.0004","13.8057","0.0007","90","","92.474","0.003","90","","874.52","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Mei, Liang-yong; Wei, Yin; Xu, Qin; Shi, Min","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of Vinyl Cyclopropanes and β,γ-Unsaturated α-Keto Esters: An Effective Route to Highly Functionalized Cyclopentanes","Organometallics","2012","31","21","7591","","10.1021/om300896z","","","1.54178","CuKα","","0.034","0.0332","","","0.0931","0.0944","","","","","","1.027","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079629","10.2295","0.0003","17.7567","0.0006","16.1458","0.0004","90","","90.3761","0.0019","90","","2932.69","0.15","200","","200","","","","","","","","Research Shool of Chemistry","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 N2 P2 -","- C37 H32 N2 P2 -","- C148 H128 N8 P8 -","4","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation","Organometallics","2012","31","23","8051","","10.1021/om300897w","","","0.71073","MoKα","","0.0633","0.05","","0.1081","0.1033","0.1081","","","","","","1.0794","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079630","16.8797","0.0007","11.895","0.0007","18.4555","0.0008","90","","115.196","0.002","90","","3353","0.3","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C37 H56 N2 P2 -","- C37 H56 N2 P2 -","- C148 H224 N8 P8 -","4","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation","Organometallics","2012","31","23","8051","","10.1021/om300897w","","","0.71073","MoKα","","0.1169","0.0928","","0.2283","0.2147","0.2283","","","","","","1.0155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079631","26.6194","0.0004","26.6194","0.0004","27.22","0.0005","90","","90","","120","","16703.8","0.5","200","","200","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C37 H54 Cl N2 P2 Rh -","- C37 H54 Cl N2 P2 Rh -","- C666 H972 Cl18 N36 P36 Rh18 -","18","0.5","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation","Organometallics","2012","31","23","8051","","10.1021/om300897w","","","0.71073","MoKα","","0.063","0.0499","","0.1208","0.1103","0.1208","","","","","","0.9753","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079632","15.3069","0.0003","13.9062","0.0004","21.5639","0.0006","90","","108.384","0.0013","90","","4355.8","0.2","200","","200","","","","","","","","local","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Cl Ir N2 O2 P2 -","- C42 H64 Cl Ir N2 O2 P2 -","- C168 H256 Cl4 Ir4 N8 O8 P8 -","4","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation","Organometallics","2012","31","23","8051","","10.1021/om300897w","","","0.71073","MoKα","","0.0664","0.0385","","0.0831","0.0764","0.0831","","","","","","0.9288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079633","18.8327","0.0002","20.8326","0.0003","24.1535","0.0003","90","","107.858","0.0008","90","","9019.7","0.2","200","","200","","","","","","","","local","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H55 Cl F2 Ir N2 O3 P3 -","- C38 H55 Cl F2 Ir N2 O3 P3 -","- C304 H440 Cl8 F16 Ir8 N16 O24 P24 -","8","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation","Organometallics","2012","31","23","8051","","10.1021/om300897w","","","0.71073","MoKα","","0.0416","0.0323","","0.0896","0.0847","0.0896","","","","","","1.0085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079634","14.2981","0.0004","10.766","0.0002","25.511","0.0007","90","","92.774","0.002","90","","3922.39","0.17","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 B Cl2 F4 N2 P2 Pd -","- C42 H37 B Cl2 F4 N2 P2 Pd -","- C168 H148 B4 Cl8 F16 N8 P8 Pd4 -","4","1","","Guo, Tongxun; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc","Convenient Synthetic Route to Palladium Complexes of Unconventional N-Heterocyclic Carbenes Derived from Pyridazine and Phthalazine","Organometallics","2012","31","24","8537","","10.1021/om300899r","","","0.71073","MoKα","","0.0347","0.0282","","","0.066","0.0682","","","","","","1.017","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079635","20.2183","0.0004","14.8686","0.0004","15.0359","0.0003","90","","90","","90","","4520.06","0.18","133","2","133","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C47 H41 B Cl4 F4 N2 P2 Pd -","- C47 H41 B Cl4 F4 N2 P2 Pd -","- C188 H164 B4 Cl16 F16 N8 P8 Pd4 -","4","0.5","","Guo, Tongxun; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc","Convenient Synthetic Route to Palladium Complexes of Unconventional N-Heterocyclic Carbenes Derived from Pyridazine and Phthalazine","Organometallics","2012","31","24","8537","","10.1021/om300899r","","","0.71073","MoKα","","0.0637","0.0508","","","0.1181","0.1246","","","","","","1.072","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079636","9.6593","0.0009","10.9025","0.001","13.1195","0.0012","114.633","0.006","106.394","0.007","89.521","0.007","1195.3","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl3 N2 P Pd -","- C24 H22 Cl3 N2 P Pd -","- C48 H44 Cl6 N4 P2 Pd2 -","2","1","","Guo, Tongxun; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc","Convenient Synthetic Route to Palladium Complexes of Unconventional N-Heterocyclic Carbenes Derived from Pyridazine and Phthalazine","Organometallics","2012","31","24","8537","","10.1021/om300899r","","","0.71073","MoKα","","0.0259","0.0217","","","0.0535","0.0548","","","","","","1.031","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079637","14.296","0.0005","10.4914","0.0002","32.2","0.0012","90","","97.243","0.003","90","","4791","0.3","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 B Cl3 F4 N4 P2 Pd -","- C48 H46 B Cl3 F4 N4 P2 Pd -","- C192 H184 B4 Cl12 F16 N16 P8 Pd4 -","4","1","","Guo, Tongxun; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc","Convenient Synthetic Route to Palladium Complexes of Unconventional N-Heterocyclic Carbenes Derived from Pyridazine and Phthalazine","Organometallics","2012","31","24","8537","","10.1021/om300899r","","","0.71073","MoKα","","0.0669","0.0528","","","0.1352","0.1437","","","","","","1.047","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079638","15.0715","0.0017","18.818","0.002","15.2704","0.0017","90","","99.854","0.002","90","","4267","0.8","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H57 B Fe N2 O3 P2 -","- C47 H57 B Fe N2 O3 P2 -","- C188 H228 B4 Fe4 N8 O12 P8 -","4","1","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","Change in Coordination of NCN Pincer Iron Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","23","8283","","10.1021/om300901k","","","0.71073","MoKα","","0.0688","0.0569","","","0.1262","0.1317","","","","","","1.119","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079639","9.374","0.004","10.985","0.005","12.126","0.005","89.317","0.011","73.436","0.01","82.832","0.01","1187.1","0.9","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C49 H61 B Fe N2 O3 P2 -","- C49 H61 B Fe N2 O3 P2 -","- C49 H61 B Fe N2 O3 P2 -","1","1","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","Change in Coordination of NCN Pincer Iron Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","23","8283","","10.1021/om300901k","","","0.71073","MoKα","","0.0616","0.0475","","","0.0996","0.1041","","","","","","0.951","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079640","11.109","0.0016","9.2697","0.0014","32.13","0.005","90","","95.778","0.003","90","","3291.8","0.9","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Br Fe N2 O3 P2 -","- C33 H41 Br Fe N2 O3 P2 -","- C132 H164 Br4 Fe4 N8 O12 P8 -","4","1","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","Change in Coordination of NCN Pincer Iron Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","23","8283","","10.1021/om300901k","","","0.71073","MoKα","","0.0623","0.0495","","","0.1005","0.1072","","","","","","1.147","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079641","16.697","0.003","16.925","0.003","16.737","0.003","90","","94.476","0.006","90","","4715.4","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br Fe N3 O3 -","- C22 H28 Br Fe N3 O3 -","- C176 H224 Br8 Fe8 N24 O24 -","8","2","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","Change in Coordination of NCN Pincer Iron Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","23","8283","","10.1021/om300901k","","","0.71073","MoKα","","0.1612","0.0864","","","0.1707","0.2181","","","","","","1.034","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079642","17.304","0.004","17.373","0.004","14.898","0.004","90","","90","","90","","4478.7","1.9","153","2","153","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C35 H54 Br Fe N5 O3 -","- C35 H19 Br Fe N5 O3 -","- C140 H76 Br4 Fe4 N20 O12 -","4","0.25","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","Change in Coordination of NCN Pincer Iron Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2012","31","23","8283","","10.1021/om300901k","","","0.71073","MoKα","","0.1088","0.0781","","","0.2311","0.2513","","","","","","1.106","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079643","10.8651","0.0005","14.8098","0.0007","32.569","0.0013","90","","98.057","","90","","5188.9","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H53 N6 O0.5 P2 Pd2 -","- C60 H48 N6 O0.5 P2 Pd2 -","- C240 H192 N24 O2 P8 Pd8 -","4","1","","Tsukada, Naofumi; Ohnishi, Nozomi; Aono, Shiori; Takahashi, Fusako","Amination of Aryl Iodides Catalyzed by a Palladium‒Copper Complex Supported by a Chelate-Bridging Ligand","Organometallics","2012","31","21","7336","","10.1021/om300902t","","","0.7107","MoKα","","","0.04","","","","0.088","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079644","8.988","0.0019","16.463","0.004","18.052","0.004","90","","96.037","0.003","90","","2656.3","1","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cl Cu N3 O P Pd -","- C29 H25 Cl Cu N3 O P Pd -","- C116 H100 Cl4 Cu4 N12 O4 P4 Pd4 -","4","1","","Tsukada, Naofumi; Ohnishi, Nozomi; Aono, Shiori; Takahashi, Fusako","Amination of Aryl Iodides Catalyzed by a Palladium‒Copper Complex Supported by a Chelate-Bridging Ligand","Organometallics","2012","31","21","7336","","10.1021/om300902t","","","0.7107","MoKα","","","0.0981","","","","0.2011","","","","","","1.072","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079645","15.897","0.003","17.898","0.004","22.069","0.004","90","","107.08","0.03","90","","6002","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 Cl2 N2 O4 Pt -","- C29 H36 Cl2 N2 O4 Pt -","- C232 H288 Cl16 N16 O32 Pt8 -","8","1","","Pellarin, Kyle R.; McCready, Matthew S.; Sutherland, Thomas I.; Puddephatt, Richard J.","Oxidative Addition of Phthaloyl Peroxide to Dimethylplatinum(II) Complexes","Organometallics","2012","31","23","8291","","10.1021/om3009074","","","0.71073","MoKα","","0.0726","0.046","","","0.1155","0.1427","","","","","","1.078","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079646","9.0456","0.0012","16.846","0.002","16.919","0.002","95.284","0.003","103.731","0.003","103.638","0.003","2403.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N2 O9.5 Pt -","- C20 H18 N2 O9.5 Pt -","- C80 H72 N8 O38 Pt4 -","4","2","","Pellarin, Kyle R.; McCready, Matthew S.; Sutherland, Thomas I.; Puddephatt, Richard J.","Oxidative Addition of Phthaloyl Peroxide to Dimethylplatinum(II) Complexes","Organometallics","2012","31","23","8291","","10.1021/om3009074","","","0.71073","MoKα","","0.0872","0.0595","","","0.1428","0.1652","","","","","","0.882","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079647","34.149","0.003","7.862","0.0006","16.3098","0.0013","90","","115.614","0.002","90","","3948.5","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O6 Pt -","- C21 H20 N2 O6 Pt -","- C168 H160 N16 O48 Pt8 -","8","1","","Pellarin, Kyle R.; McCready, Matthew S.; Sutherland, Thomas I.; Puddephatt, Richard J.","Oxidative Addition of Phthaloyl Peroxide to Dimethylplatinum(II) Complexes","Organometallics","2012","31","23","8291","","10.1021/om3009074","","","0.71073","MoKα","","0.0807","0.0442","","","0.1207","0.1427","","","","","","0.936","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079648","18.488","0.011","16.061","0.013","23.785","0.014","90","","108.99","0.07","90","","6678","8","140","1","140","1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","Compound 1A1","","","- C112 H144 Ag4 Au4 F40 N8 O12 -","- C107.4 H82.4 Ag4 Au4 F40 N7.6 O12 -","- C214.8 H164.8 Ag8 Au8 F80 N15.2 O24 -","2","0.5","","Savjani, Nicky; Wilkinson, Luke A.; Hughes, David L.; Schormann, Mark; Bochmann, Manfred","Synthesis, Structure, and Luminescent Behavior of Anionic Oligomeric and Polymeric Ag2Au2Clusters","Organometallics","2012","31","21","7600","","10.1021/om300911h","","","0.71073","Mo-Kα","","0.1763","0.1178","","","0.2286","0.2485","","","","","","1.042","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079649","18.733","0.013","27.93","0.018","35.35","0.02","90","","90","","90","","18496","2","100","","100","","","","","","","","","7","P c n b","-P 2b 2ac","60","Compound 1A2","","","- C152 H180 Ag6 Au6 F60 N11 O18 -","- C131 H101.6 Ag6 Au6 F60 N7.6 O17.8 -","- C524 H406.4 Ag24 Au24 F240 N30.4 O71.2 -","4","0.5","","Savjani, Nicky; Wilkinson, Luke A.; Hughes, David L.; Schormann, Mark; Bochmann, Manfred","Synthesis, Structure, and Luminescent Behavior of Anionic Oligomeric and Polymeric Ag2Au2Clusters","Organometallics","2012","31","21","7600","","10.1021/om300911h","","","0.71075","MoKα","","0.1365","0.1135","","","0.1738","0.1832","","","","","","1.27","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079650","14.713","0.003","17.364","0.004","27.669","0.006","90","","90","","90","","7069","3","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","Compound 1B","","","- C73 H42 Ag2 Au2 Cl2 F20 N2 O6 P2 -","- C73 H42 Ag2 Au2 Cl2 F20 N2 O6 P2 -","- C292 H168 Ag8 Au8 Cl8 F80 N8 O24 P8 -","4","1","","Savjani, Nicky; Wilkinson, Luke A.; Hughes, David L.; Schormann, Mark; Bochmann, Manfred","Synthesis, Structure, and Luminescent Behavior of Anionic Oligomeric and Polymeric Ag2Au2Clusters","Organometallics","2012","31","21","7600","","10.1021/om300911h","","","0.71075","MoKα","","0.0565","0.0468","","","0.0673","0.0707","","","","","","0.985","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079651","21.737","0.003","43.49","0.009","44.52","0.009","90","","90","","90","","42087","13","100","","100","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","Compound 2A","","","- C43.25 H38.5 Ag2 Au2 Cl2.5 F23 N O2 -","- C44.15 H18 Ag2 Au2 Cl2.5 F23 N O2 -","- C1412.8 H576 Ag64 Au64 Cl80 F736 N32 O64 -","32","1","","Savjani, Nicky; Wilkinson, Luke A.; Hughes, David L.; Schormann, Mark; Bochmann, Manfred","Synthesis, Structure, and Luminescent Behavior of Anionic Oligomeric and Polymeric Ag2Au2Clusters","Organometallics","2012","31","21","7600","","10.1021/om300911h","","","0.71075","MoKα","","0.0811","0.0789","","","0.1508","0.1518","","","","","","1.332","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079652","11.7104","0.0002","14.4204","0.0002","13.0139","0.0002","90","","91.326","0.001","90","","2197.05","0.06","150","2","150","2","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Cl N3 Ru -","- C20 H36 Cl N3 Ru -","- C80 H144 Cl4 N12 Ru4 -","4","1","","Garc\?ía-Álvarez, Rocío; Suárez, Francisco J.; D\?íez, Josefina; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Ruthenium(II) Arene Complexes with Asymmetrical Guanidinate Ligands: Synthesis, Characterization, and Application in the Base-Free Catalytic Isomerization of Allylic Alcohols","Organometallics","2012","31","23","8301","","10.1021/om3009124","","","1.5418","CuKα","","0.0316","0.026","","","0.0663","0.0733","","","","","","1.08","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079653","34.9253","0.0009","13.8742","0.0004","11.7132","0.0003","90","","107.197","0.003","90","","5422","0.3","150","","150","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H42 Cl N3 Ru -","- C27 H42 Cl N3 Ru -","- C216 H336 Cl8 N24 Ru8 -","8","1","","Garc\?ía-Álvarez, Rocío; Suárez, Francisco J.; D\?íez, Josefina; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Ruthenium(II) Arene Complexes with Asymmetrical Guanidinate Ligands: Synthesis, Characterization, and Application in the Base-Free Catalytic Isomerization of Allylic Alcohols","Organometallics","2012","31","23","8301","","10.1021/om3009124","","","1.5418","CuKα","","0.0472","0.0408","","","0.1113","0.1183","","","","","","1.058","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079654","22.7034","0.0003","23.4596","0.0005","20.7205","0.0005","90","","121.283","0.001","90","","9431.5","0.3","293","2","293","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C45 H38 Cl N3 O2 P2 Ru S -","- C45 H38 Cl N3 O2 P2 Ru S -","- C360 H304 Cl8 N24 O16 P16 Ru8 S8 -","8","1","","Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Dallemer, F.; Vijayalakshmi, K.; Padma, V. Vijaya; Natarajan, K.","Versatile Coordination Behavior of Salicylaldehydethiosemicarbazone in Ruthenium(II) Carbonyl Complexes: Synthesis, Spectral, X-ray, Electrochemistry, DNA Binding, Cytotoxicity, and Cellular Uptake Studies","Organometallics","2012","31","23","8323","","10.1021/om300914n","","x-ray","0.71073","MoKα","","0.129","0.0583","","","0.1327","0.1526","","","","","","0.909","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079655","69.7414","0.0009","11.0337","0.0002","36.0149","0.0005","90","","106.464","0.001","90","","26577.4","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H37 N3 O2 P2 Ru S -","- C45 H37 N3 O2 P2 Ru S -","- C1080 H888 N72 O48 P48 Ru24 S24 -","24","3","","Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Dallemer, F.; Vijayalakshmi, K.; Padma, V. Vijaya; Natarajan, K.","Versatile Coordination Behavior of Salicylaldehydethiosemicarbazone in Ruthenium(II) Carbonyl Complexes: Synthesis, Spectral, X-ray, Electrochemistry, DNA Binding, Cytotoxicity, and Cellular Uptake Studies","Organometallics","2012","31","23","8323","","10.1021/om300914n","","x-ray","0.71073","MoKα","","0.1734","0.0817","","","0.1961","0.2289","","","","","","1.03","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079656","9.547","0.01","11.309","0.013","20.59","0.02","79.17","0.07","76.9","0.07","77.94","0.07","2094","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H41 F12 Fe Ge Na O7 -","- C39 H41 F12 Fe Ge Na O7 -","- C78 H82 F24 Fe2 Ge2 Na2 O14 -","2","1","","Kano, Naokazu; Yoshinari, Naohito; Shibata, Yusuke; Miyachi, Mariko; Kawashima, Takayuki; Enomoto, Masaya; Okazawa, Atsushi; Kojima, Norimichi; Guo, Jing-Dong; Nagase, Shigeru","Anionic Iron Complexes with a Bond between an Ate-Type Pentacoordinated Germanium and an Iron Atom","Organometallics","2012","31","23","8059","","10.1021/om300915y","","","0.7107","MoKα","","0.0821","0.0516","","","0.1121","0.1447","","","","","","1.039","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079657","9.703","0.002","18.313","0.005","20.76","0.005","90","","93.267","0.003","90","","3682.9","1.5","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 F12 Fe Ge N O4 -","- C37 H33 F12 Fe Ge N O4 -","- C148 H132 F48 Fe4 Ge4 N4 O16 -","4","1","","Kano, Naokazu; Yoshinari, Naohito; Shibata, Yusuke; Miyachi, Mariko; Kawashima, Takayuki; Enomoto, Masaya; Okazawa, Atsushi; Kojima, Norimichi; Guo, Jing-Dong; Nagase, Shigeru","Anionic Iron Complexes with a Bond between an Ate-Type Pentacoordinated Germanium and an Iron Atom","Organometallics","2012","31","23","8059","","10.1021/om300915y","","","0.7107","MoKα","","0.065","0.0555","","","0.1391","0.1463","","","","","","1.084","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079658","16.1135","0.0006","16.1135","0.0006","42.1276","0.0011","90","","90","","90","","10938.2","0.6","180","2","180.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C27 H36 Au Cl N2 O2 -","- C27 H36 Au Cl N2 O2 -","- C432 H576 Au16 Cl16 N32 O32 -","16","2","","Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis","Organometallics","2012","31","23","8348","","10.1021/om300917m","","","1.5418","CuKα","","0.0548","0.0486","","","0.1192","0.1294","","","","","","1.059","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079659","15.9701","0.0005","10.82036","0.00017","20.1894","0.0006","90","","119.534","0.004","90","","3035.45","0.18","180","2","180","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33.25 H36.5 Au Cl1.5 N2 -","- C33.25 H36.5 Au Cl1.5 N2 -","- C133 H146 Au4 Cl6 N8 -","4","1","","Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis","Organometallics","2012","31","23","8348","","10.1021/om300917m","","","0.7107","MoKα","","0.0332","0.0271","","","0.0585","0.0615","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079660","16.8311","0.0002","11.27375","0.00019","9.36012","0.00012","90","","100.029","0.0013","90","","1748.94","0.04","180.6","","180.6","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C29 H38 Au F6 N3 O6 S2 -","- C29 H38 Au F6 N3 O6 S2 -","- C58 H76 Au2 F12 N6 O12 S4 -","2","0.5","","Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis","Organometallics","2012","31","23","8348","","10.1021/om300917m","","","1.5418","CuKα","","0.0252","0.0251","","","0.0663","0.0663","","","","","","1.052","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079661","8.0009","0.001","15.3847","0.0019","12.2845","0.0015","90","","92.387","0.002","90","","1510.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 S Zn -","- C14 H24 N2 S Zn -","- C56 H96 N8 S4 Zn4 -","4","1","","Kozhukh, Julia; Fedoce Lopes, Juliana; Dos Santos, Hélio F.; Lippard, Stephen J.","Reactions of Organozinc Thiolates with Nitrosonium Ion:C-Nitroso Formation by Possible Transnitrosation","Organometallics","2012","31","23","8063","","10.1021/om300922m","","","0.71073","MoKα","","0.0597","0.0367","","","0.0669","0.075","","","","","","1.044","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079662","16.1505","0.0011","8.1973","0.0006","30.792","0.002","90","","93.191","0.001","90","","4070.2","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N2 S Zn -","- C21 H30 N2 S Zn -","- C168 H240 N16 S8 Zn8 -","8","2","","Kozhukh, Julia; Fedoce Lopes, Juliana; Dos Santos, Hélio F.; Lippard, Stephen J.","Reactions of Organozinc Thiolates with Nitrosonium Ion:C-Nitroso Formation by Possible Transnitrosation","Organometallics","2012","31","23","8063","","10.1021/om300922m","","","0.71073","MoKα","","0.0346","0.0272","","","0.0652","0.07","","","","","","1.043","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079663","8.7539","0.0007","10.3947","0.0008","17.2466","0.0014","90","","90","","90","","1569.3","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","0.5","","Kozhukh, Julia; Fedoce Lopes, Juliana; Dos Santos, Hélio F.; Lippard, Stephen J.","Reactions of Organozinc Thiolates with Nitrosonium Ion:C-Nitroso Formation by Possible Transnitrosation","Organometallics","2012","31","23","8063","","10.1021/om300922m","","","0.71073","MoKα","","0.0435","0.0387","","","0.1089","0.1124","","","","","","1.052","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079664","7.8763","0.0001","12.4621","0.0002","46.7798","0.0007","90","","90","","90","","4591.68","0.12","120","2","120","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27.5 Cu F6 N O2.25 P -","- C19 H27 Cu F6 N O2.2585 P -","- C152 H216 Cu8 F48 N8 O18.068 P8 -","8","2","","López, Luis A.; Barrio, Pablo; Borge, Javier","Cationic Copper(I) Carbene Complexes: Synthesis and Structures of a Tricoordinate Copper(I) Carbene Water Complex and a Dicoordinate Carbene Complex","Organometallics","2012","31","22","7844","","10.1021/om300925w","","","1.54184","CuKα","","0.0834","0.0448","","","0.0929","0.1074","","","","","","0.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079665","9.5814","0.0008","10.8494","0.0008","12.35","0.0008","101.232","0.006","92.962","0.006","110.184","0.006","1172","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 P Ti -","- C29 H31 P Ti -","- C58 H62 P2 Ti2 -","2","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","0.71073","MoKα","","0.0816","0.0383","","","0.0483","0.051","","","","","","0.864","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079666","8.6945","0.0002","16.3391","0.0004","13.1992","0.0002","90","","99.481","0.002","90","","1849.47","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 P Ti -","- C23 H25 P Ti -","- C92 H100 P4 Ti4 -","4","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","1.54184","CuKα","","0.0292","0.0272","","","0.0728","0.0746","","","","","","1.034","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079667","11.1956","0.001","11.2091","0.0008","11.5927","0.001","102.585","0.006","99.292","0.008","116.434","0.008","1214.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H38 P Ti -","- C29 H38 P Ti -","- C58 H76 P2 Ti2 -","2","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","1.54184","CuKα","","0.0405","0.0339","","","0.088","0.0909","","","","","","1.017","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079668","8.8646","0.0002","11.268","0.0002","20.0673","0.0004","90","","90","","90","","2004.45","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl P Ti -","- C23 H26 Cl P Ti -","- C92 H104 Cl4 P4 Ti4 -","4","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","1.54184","CuKα","","0.0409","0.0399","","","0.1081","0.1089","","","","","","1.047","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079669","14.2913","0.0002","11.3559","0.0002","10.8545","0.0002","90","","98.416","0.002","90","","1742.61","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Si Ti -","- C19 H26 Si Ti -","- C76 H104 Si4 Ti4 -","4","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","1.54184","CuKα","","0.0263","0.0259","","","0.0735","0.0739","","","","","","1.044","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079670","17.731","0.0008","9.0707","0.0004","20.6103","0.001","90","","111.788","0.006","90","","3078","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Mo O5 P Ti -","- C34 H31 Mo O5 P Ti -","- C136 H124 Mo4 O20 P4 Ti4 -","4","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","0.71073","MoKα","","0.0503","0.0281","","","0.0306","0.0315","","","","","","0.877","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079671","9.8908","0.0008","10.7751","0.0008","14.1037","0.001","71.701","0.006","73.907","0.006","65.681","0.008","1281.31","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Au Cl P Ti -","- C29 H31 Au Cl P Ti -","- C58 H62 Au2 Cl2 P2 Ti2 -","2","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","0.71073","MoKα","","0.0304","0.022","","","0.0289","0.0293","","","","","","0.855","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079672","16.4511","0.0004","9.0162","0.0002","24.5164","0.0006","90","","91.091","0.002","90","","3635.77","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Ti -","- C23 H26 Ti -","- C184 H208 Ti8 -","8","2","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","1.54184","CuKα","","0.0522","0.0335","","","0.0751","0.0801","","","","","","0.953","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079673","11.1827","0.0002","14.1389","0.0002","14.6759","0.0004","90","","90","","90","","2320.42","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Ti2 -","- C29 H32 Ti2 -","- C116 H128 Ti8 -","4","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","1.54184","CuKα","","0.022","0.0215","","","0.0576","0.0578","","","","","","1.059","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079674","13.1828","0.0007","7.6142","0.0004","13.2748","0.0007","90","","107.163","0.002","90","","1273.14","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 Br N -","- C13 H18 Br N -","- C52 H72 Br4 N4 -","4","2","","García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José","Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts","Organometallics","2012","31","23","8333","","10.1021/om300928j","","","0.71073","MoKα","","0.0209","0.0201","","","0.049","0.0493","","","","","","1.071","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079675","8.8614","0.0007","8.8975","0.0007","11.555","0.0008","106.489","0.002","90.801","0.002","102.59","0.002","849.77","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F3 N O3 S -","- C16 H22 F3 N O3 S -","- C32 H44 F6 N2 O6 S2 -","2","1","","García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José","Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts","Organometallics","2012","31","23","8333","","10.1021/om300928j","","","0.71073","MoKα","","0.0538","0.0458","","","0.1084","0.1129","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079676","18.0459","0.0009","8.6262","0.0004","24.7215","0.0012","90","","92.086","0.002","90","","3845.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 F3 N O3 S Si -","- C16 H24 F3 N O3 S Si -","- C128 H192 F24 N8 O24 S8 Si8 -","8","1","","García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José","Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts","Organometallics","2012","31","23","8333","","10.1021/om300928j","","","0.71073","MoKα","","0.0581","0.049","","","0.1099","0.1147","","","","","","1.133","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079677","12.6524","0.0006","9.421","0.0005","18.1857","0.0009","90","","90.093","0.002","90","","2167.7","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cl3 N Si -","- C18 H30 Cl3 N Si -","- C72 H120 Cl12 N4 Si4 -","4","1","","García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José","Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts","Organometallics","2012","31","23","8333","","10.1021/om300928j","","","0.71073","MoKα","","0.0365","0.0312","","","0.0824","0.0849","","","","","","1.039","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079678","9.7698","0.0008","10.8203","0.0009","12.2565","0.0011","110.776","0.002","91.712","0.002","98.572","0.002","1193.07","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 F3 N O3 S -","- C26 H26 F3 N O3 S -","- C52 H52 F6 N2 O6 S2 -","2","1","","García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José","Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts","Organometallics","2012","31","23","8333","","10.1021/om300928j","","","0.71073","MoKα","","0.0841","0.0642","","","0.1267","0.135","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079679","6.2731","0.0003","7.8393","0.0004","27.5628","0.0015","90","","90","","90","","1355.45","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Br N O -","- C13 H18 Br N O -","- C52 H72 Br4 N4 O4 -","4","1","","García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José","Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts","Organometallics","2012","31","23","8333","","10.1021/om300928j","","","0.71073","MoKα","","0.0357","0.0317","","","0.0682","0.0698","","","","","","1.053","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079680","18.1595","0.0002","16.0778","0.0001","21.4623","0.0002","90","","108.734","0.001","90","","5934.25","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H38 Cl2 N8 O20 Ru6 -","- C53 H38 Cl2 N8 O20 Ru6 -","- C212 H152 Cl8 N32 O80 Ru24 -","4","1","","Cabeza, Javier A.; Damonte, Marina; Pérez-Carreño, Enrique","Reactivity of a Bis(N-heterocyclic carbene) with Ruthenium Carbonyl. Synthesis of Mono- and Trinuclear Derivatives and Ligand Modification via C‒H Bond Activation","Organometallics","2012","31","23","8355","","10.1021/om3009298","","","1.5418","CuKα","","0.0395","0.0274","","","0.0586","0.0631","","","","","","0.974","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079681","13.7947","0.0003","8.3567","0.0002","22.6665","0.0005","90","","97.733","0.002","90","","2589.19","0.1","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O8 Ru3 -","- C24 H18 N4 O8 Ru3 -","- C96 H72 N16 O32 Ru12 -","4","1","","Cabeza, Javier A.; Damonte, Marina; Pérez-Carreño, Enrique","Reactivity of a Bis(N-heterocyclic carbene) with Ruthenium Carbonyl. Synthesis of Mono- and Trinuclear Derivatives and Ligand Modification via C‒H Bond Activation","Organometallics","2012","31","23","8355","","10.1021/om3009298","","","1.5418","CuKα","","0.036","0.0282","","","0.0697","0.0742","","","","","","1.003","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079682","17.0108","0.0017","19.7941","0.0019","16.8614","0.0017","90","","90","","90","","5677.5","1","90","2","90","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C68 H82 Cr2 -","- C68 H82 Cr2 -","- C272 H328 Cr8 -","4","1","","Boynton, Jessica N.; Summerscales, Owen T.; Grandjean, Fernande; Long, Gary J.; Fettinger, James C.; Power, Philip P.","Structural and Magnetic Studies of a Quasi-Inverse Sandwich Cyclooctatetraene Complex with Two High-Spin Chromium(II) Ions Bound Anti-Facially","Organometallics","2012","31","24","8556","","10.1021/om300936s","","","0.71073","MoKα","","0.0337","0.0297","","","0.0724","0.0739","","","","","","1.028","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079683","7.5788","0.0005","8.8191","0.0006","14.7063","0.0009","88.938","0.004","80.939","0.004","64.881","0.004","877.59","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H Cl3 Fe2 O6 S2 -","- C12 H Cl3 Fe2 O6 S2 -","- C24 H2 Cl6 Fe4 O12 S4 -","2","1","","Donovan, Elizabeth S.; McCormick, Joseph J.; Nichol, Gary S.; Felton, Greg A. N.","Cyclic Voltammetric Studies of Chlorine-Substituted Diiron Benzenedithiolato Hexacarbonyl Electrocatalysts Inspired by the [FeFe]-Hydrogenase Active Site","Organometallics","2012","31","23","8067","","10.1021/om300938e","","","0.71073","MoKα","","0.0506","0.0363","","","0.0918","0.099","","","","","","1.046","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079684","7.6077","0.0005","8.8047","0.0006","14.9168","0.0006","82.808","0.004","80.371","0.004","65.763","0.006","896.49","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 Cl4 Fe2 O6 S2 -","- C12 Cl4 Fe2 O6 S2 -","- C24 Cl8 Fe4 O12 S4 -","2","1","","Donovan, Elizabeth S.; McCormick, Joseph J.; Nichol, Gary S.; Felton, Greg A. N.","Cyclic Voltammetric Studies of Chlorine-Substituted Diiron Benzenedithiolato Hexacarbonyl Electrocatalysts Inspired by the [FeFe]-Hydrogenase Active Site","Organometallics","2012","31","23","8067","","10.1021/om300938e","","","0.71073","MoKα","","0.0368","0.0289","","","0.0539","0.058","","","","","","1.041","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4079685","9.572","0.001","17.2005","0.0018","26.67","0.003","103.345","0.007","93.393","0.008","95.516","0.008","4237.6","0.8","260","2","260","2","","","","","","","","5","P -1","-P 1","2","","","","- C82.5 H104 Br4 N12 Zr2 -","- C82.5 H104 Br4 N12 Zr2 -","- C165 H208 Br8 N24 Zr4 -","2","1","","Fernández-Galán, Rafael; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; López-Solera, Isabel; Otero, Antonio; Serrano-Laguna, Amparo; Villaseñor, Elena","Migratory Insertion Reactions in Asymmetrical Guanidinate-Supported Zirconium Complexes","Organometallics","2012","31","23","8360","","10.1021/om300942p","","","0.71073","MoKα","","0.2367","0.0747","","","0.1744","0.2627","","","","","","0.848","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079686","14.4783","0.001","12.1346","0.0009","15.9903","0.0016","90","","116.397","0.003","90","","2516.4","0.4","260","2","260","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl2 N6 Zr -","- C18 H40 Cl2 N6 Zr -","- C72 H160 Cl8 N24 Zr4 -","4","1","","Fernández-Galán, Rafael; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; López-Solera, Isabel; Otero, Antonio; Serrano-Laguna, Amparo; Villaseñor, Elena","Migratory Insertion Reactions in Asymmetrical Guanidinate-Supported Zirconium Complexes","Organometallics","2012","31","23","8360","","10.1021/om300942p","","","0.71073","MoKα","","0.1362","0.0629","","","0.1379","0.1734","","","","","","0.963","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079687","11.8113","0.0007","16.1538","0.0008","16.9957","0.0011","72.863","0.003","79.891","0.003","75.84","0.003","2985.8","0.3","260","2","260","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H88 N8 Zr -","- C64 H88 N8 Zr -","- C128 H176 N16 Zr2 -","2","1","","Fernández-Galán, Rafael; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; López-Solera, Isabel; Otero, Antonio; Serrano-Laguna, Amparo; Villaseñor, Elena","Migratory Insertion Reactions in Asymmetrical Guanidinate-Supported Zirconium Complexes","Organometallics","2012","31","23","8360","","10.1021/om300942p","","","0.71073","MoKα","","0.1161","0.0598","","","0.1383","0.1663","","","","","","0.988","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079688","11.241","0.002","13.366","0.003","18.174","0.004","93.24","0.03","104.97","0.03","109.65","0.03","2453.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H51 N3 Si Zr -","- C54 H51 N3 Si Zr -","- C108 H102 N6 Si2 Zr2 -","2","1","","Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Reactivity of Seven-Membered Azazirconacycloallenes and Four-Membered Zirconacycles toward Diphenylacetonitrile","Organometallics","2012","31","23","8370","","10.1021/om300949a","","","0.71073","MoKα","","0.1885","0.0629","","","0.086","0.0937","","","","","","0.997","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079689","36.131","0.007","10.712","0.002","19.949","0.004","90","","100","0.03","90","","7604","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 Br N2 Si Zr -","- C40 H41 Br N2 Si Zr -","- C320 H328 Br8 N16 Si8 Zr8 -","8","1","","Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Reactivity of Seven-Membered Azazirconacycloallenes and Four-Membered Zirconacycles toward Diphenylacetonitrile","Organometallics","2012","31","23","8370","","10.1021/om300949a","","","0.71073","MoKα","","0.0729","0.0601","","","0.1187","0.1258","","","","","","1.097","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079690","36.3","0.007","10.477","0.002","20.048","0.004","90","","101.69","0.03","90","","7466","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 Cl N2 Si Zr -","- C40 H41 Cl N2 Si Zr -","- C320 H328 Cl8 N16 Si8 Zr8 -","8","1","","Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Reactivity of Seven-Membered Azazirconacycloallenes and Four-Membered Zirconacycles toward Diphenylacetonitrile","Organometallics","2012","31","23","8370","","10.1021/om300949a","","","0.71073","MoKα","","0.138","0.0994","","","0.1448","0.1607","","","","","","1.154","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079691","28.747","0.004","14.691","0.002","22.158","0.003","90","","102.019","0.002","90","","9153","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 N2 Si Zr -","- C56 H48 N2 Si Zr -","- C448 H384 N16 Si8 Zr8 -","8","1","","Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Reactivity of Seven-Membered Azazirconacycloallenes and Four-Membered Zirconacycles toward Diphenylacetonitrile","Organometallics","2012","31","23","8370","","10.1021/om300949a","","","0.71073","MoKα","","0.071","0.0355","","","0.0564","0.0608","","","","","","1.02","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079692","13.325","0.0019","9.454","0.0013","14.545","0.002","90","","92.884","0.004","90","","1830","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O2 Ti -","- C24 H22 O2 Ti -","- C96 H88 O8 Ti4 -","4","1","","Desnoyer, Addison N.; Fartel, Beata; MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Ambient-Temperature Carbon‒Oxygen Bond Cleavage of an α-Aryloxy Ketone with Cp2Ti(BTMSA) and Selective Protonolysis of the Resulting Ti‒OR Bonds","Organometallics","2012","31","21","7625","","10.1021/om300950c","","","0.71073","MoKα","","0.0803","0.0465","","","0.1061","0.1209","","","","","","1.022","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079693","9.132","0.0011","13.5283","0.0016","16.404","0.003","88.597","0.003","83.995","0.003","85.32","0.003","2008.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cl O2 Ti -","- C24 H23 Cl O2 Ti -","- C96 H92 Cl4 O8 Ti4 -","4","2","","Desnoyer, Addison N.; Fartel, Beata; MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Ambient-Temperature Carbon‒Oxygen Bond Cleavage of an α-Aryloxy Ketone with Cp2Ti(BTMSA) and Selective Protonolysis of the Resulting Ti‒OR Bonds","Organometallics","2012","31","21","7625","","10.1021/om300950c","","","0.71073","MoKα","","0.0402","0.0303","","","0.0733","0.0794","","","","","","1.047","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079694","8.738","0.0006","9.139","0.0007","17.4282","0.0012","97.261","0.004","103.816","0.003","96.412","0.003","1326.03","0.17","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C30 H28 Cl2 Zr -","- C30 H28 Cl2 Zr -","- C60 H56 Cl4 Zr2 -","2","1","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.069","0.0591","","","0.1216","0.1259","","","","","","1.145","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079695","11.8432","0.0007","16.4959","0.0012","17.1659","0.0012","90","","92.766","0.004","90","","3349.7","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 Cl2 Zr -","- C39 H46 Cl2 Zr -","- C156 H184 Cl8 Zr4 -","4","1","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.0379","0.0307","","","0.0832","0.1004","","","","","","1.132","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079696","10.9477","0.0004","11.8652","0.0003","15.2718","0.0005","77","0.001","75.093","0.002","78.461","0.001","1846.45","0.1","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C43 H46 Cl2 Zr -","- C43 H46 Cl2 Zr -","- C86 H92 Cl4 Zr2 -","2","1","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.0456","0.0359","","","0.0703","0.0743","","","","","","1.029","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079697","11.551","0.007","24.178","0.016","28.816","0.018","90","","90","","90","","8048","9","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C44 H58 Cl2 Zr -","- C44 H58 Cl2 Zr -","- C352 H464 Cl16 Zr8 -","8","1","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.1458","0.103","","","0.176","0.1937","","","","","","1.219","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079698","11.8504","0.0012","13.2311","0.0016","25.354","0.002","93.974","0.004","92.762","0.004","96.535","0.004","3933.7","0.7","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C46 H56 Cl2 Zr -","- C46 H56 Cl2 Zr -","- C184 H224 Cl8 Zr4 -","4","2","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.1767","0.1245","","","0.3068","0.3491","","","","","","1.043","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079699","9.8463","0.0008","14.0657","0.0012","29.101","0.003","90","","91.551","0.004","90","","4028.9","0.6","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 Cl2 Zr -","- C47 H56 Cl2 Zr -","- C188 H224 Cl8 Zr4 -","4","1","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.0858","0.0737","","","0.1541","0.1606","","","","","","1.116","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079700","8.9402","0.0008","12.2725","0.0014","13.4389","0.0015","117.094","0.006","91.79","0.006","90.006","0.006","1311.9","0.3","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C30 H36 Cl2 Zr -","- C30 H36 Cl2 Zr -","- C60 H72 Cl4 Zr2 -","2","1","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.0567","0.0368","","","0.0733","0.0806","","","","","","1.016","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079701","11.887","0.003","14.052","0.003","14.801","0.003","78.24","0.012","78.94","0.01","84.63","0.013","2371.6","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 F12 N12 P2 Ru -","- C42 H42 F12 N12 P2 Ru -","- C84 H84 F24 N24 P4 Ru2 -","2","1","","Yang, Wen-Wen; Yao, Jiannian; Zhong, Yu-Wu","Redox-Asymmetric Bisruthenium Complex Bridged by a Pyridin-4-yl Moiety: Synthesis, Characterization, and Electronic Coupling Studies","Organometallics","2012","31","24","8577","","10.1021/om3009662","","","0.71073","MoKα","","0.1623","0.1199","","","0.3025","0.3381","","","","","","1.073","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079702","12.1796","0.0011","15.548","0.0009","21.1054","0.0019","90","","117.902","0.006","90","","3532.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O9 P2 Pd S2 -","- C34 H32 O9 P2 Pd S2 -","- C136 H128 O36 P8 Pd4 S8 -","4","1","","R Thomas; Tritschler, Ulrich; Roesle, Philipp; Göttker-Schnetmann, Inigo; Müller, Heiko M.; Caporaso, Lucia; Poater, Albert; Cavallo, Luigi; Mecking, Stefan","Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts","Organometallics","2012","31","23","8388","","10.1021/om300969d","","","0.71073","MoKα","","0.0607","0.0471","","","0.1099","0.1136","","","","","","1.115","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079703","25.0992","0.0016","11.8473","0.0005","21.5097","0.0014","90","","99.928","0.005","90","","6300.3","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl16 O10 P2 Pd S2 -","- C48 H44 Cl16 O10 P2 Pd S2 -","- C192 H176 Cl64 O40 P8 Pd4 S8 -","4","0.5","","R Thomas; Tritschler, Ulrich; Roesle, Philipp; Göttker-Schnetmann, Inigo; Müller, Heiko M.; Caporaso, Lucia; Poater, Albert; Cavallo, Luigi; Mecking, Stefan","Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts","Organometallics","2012","31","23","8388","","10.1021/om300969d","","","0.71073","MoKα","","0.0521","0.0401","","","0.1101","0.1132","","","","","","0.968","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079704","18.1536","0.0014","11.6821","0.0006","34.931","0.003","90","","99.484","0.006","90","","7306.6","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 O9 P2 Pd S2 -","- C35.984 H35.968 O9 P2 Pd S2 -","- C287.872 H287.744 O72 P16 Pd8 S16 -","8","1","","R Thomas; Tritschler, Ulrich; Roesle, Philipp; Göttker-Schnetmann, Inigo; Müller, Heiko M.; Caporaso, Lucia; Poater, Albert; Cavallo, Luigi; Mecking, Stefan","Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts","Organometallics","2012","31","23","8388","","10.1021/om300969d","","","0.71073","MoKα","","0.1543","0.0571","","","0.0802","0.102","","","","","","0.878","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079705","9.5966","0.0008","12.0664","0.001","15.6496","0.0014","92.336","0.007","100.896","0.007","96.725","0.007","1763.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H49 O5 P2 Pd S -","- C35 H49 O5 P2 Pd S -","- C70 H98 O10 P4 Pd2 S2 -","2","1","","R Thomas; Tritschler, Ulrich; Roesle, Philipp; Göttker-Schnetmann, Inigo; Müller, Heiko M.; Caporaso, Lucia; Poater, Albert; Cavallo, Luigi; Mecking, Stefan","Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts","Organometallics","2012","31","23","8388","","10.1021/om300969d","","","0.71073","MoKα","","0.0392","0.0313","","","0.0769","0.0836","","","","","","1.112","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079706","13.1277","0.0002","13.6566","0.0003","15.6227","0.0003","90","","106.332","0.001","90","","2687.82","0.09","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30.25 H29.5 Cl1.5 N P Pt -","- C30.252 H29.504 Cl1.504 N P Pt -","- C121.008 H118.016 Cl6.016 N4 P4 Pt4 -","4","2","","Tan, Kien-Wee; Yang, Xiang-Yuan; Li, Yongxin; Huang, Yinhua; Pullarkat, Sumod A.; Leung, Pak-Hing","Reactivity of Cycloplatinated Amine Complexes: Intramolecular C‒C Bond Formation, C‒H Activation, and PPh2Migration in Coordinated Alkynylphosphines","Organometallics","2012","31","23","8407","","10.1021/om300976y","","","0.71073","MoKα","","0.0327","0.0257","","","0.0651","0.0909","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079707","9.5284","0.0003","10.4146","0.0004","14.4364","0.0005","81.314","0.001","74.581","0.001","66.956","0.001","1269.05","0.08","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H29 Cl N P Pt -","- C30 H29 Cl N P Pt -","- C60 H58 Cl2 N2 P2 Pt2 -","2","2","","Tan, Kien-Wee; Yang, Xiang-Yuan; Li, Yongxin; Huang, Yinhua; Pullarkat, Sumod A.; Leung, Pak-Hing","Reactivity of Cycloplatinated Amine Complexes: Intramolecular C‒C Bond Formation, C‒H Activation, and PPh2Migration in Coordinated Alkynylphosphines","Organometallics","2012","31","23","8407","","10.1021/om300976y","","","0.71073","MoKα","","0.0352","0.0286","","","0.062","0.0857","","","","","","1.097","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079708","7.8961","0.0001","23.6603","0.0005","11.7411","0.0002","90","","94.654","0.002","90","","2186.29","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cl N3 Ru -","- C25 H26 Cl N3 Ru -","- C100 H104 Cl4 N12 Ru4 -","4","1","","Donnelly, Kate F.; Lalrempuia, Ralte; Müller-Bunz, Helge; Albrecht, Martin","Regioselective Electrophilic C‒H Bond Activation in Triazolylidene Metal Complexes Containing a N-Bound Phenyl Substituent","Organometallics","2012","31","23","8414","","10.1021/om300983m","","","1.54184","CuKα","","0.0192","0.019","","","0.0489","0.049","","","","","","1.068","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079709","14.2329","0.0002","11.8731","0.0001","13.7233","0.0002","90","","93.932","0.001","90","","2313.62","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl0.878 I0.122 Ir N3 -","- C25 H27 Cl0.8776 I0.1224 Ir N3 -","- C100 H108 Cl3.5104 I0.4896 Ir4 N12 -","4","1","","Donnelly, Kate F.; Lalrempuia, Ralte; Müller-Bunz, Helge; Albrecht, Martin","Regioselective Electrophilic C‒H Bond Activation in Triazolylidene Metal Complexes Containing a N-Bound Phenyl Substituent","Organometallics","2012","31","23","8414","","10.1021/om300983m","","","0.71073","MoKα","","0.0257","0.0191","","","0.041","0.0437","","","","","","1.059","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079710","13.9629","0.0001","14.5367","0.0001","26.3152","0.0002","90","","97.6443","0.0008","90","","5293.85","0.07","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H51 Cl5 F12 N6 P2 Pt2 -","- C47 H51 Cl5 F12 N6 P2 Pt2 -","- C188 H204 Cl20 F48 N24 P8 Pt8 -","4","0.5","","Donnelly, Kate F.; Lalrempuia, Ralte; Müller-Bunz, Helge; Albrecht, Martin","Regioselective Electrophilic C‒H Bond Activation in Triazolylidene Metal Complexes Containing a N-Bound Phenyl Substituent","Organometallics","2012","31","23","8414","","10.1021/om300983m","","","0.71073","MoKα","","0.0592","0.0564","","","0.1185","0.1195","","","","","","1.389","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079711","7.6878","0.00013","9.0852","0.0002","15.2939","0.0004","104.585","0.002","93.0047","0.0017","100.758","0.0016","1010.05","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Cl N3 Rh -","- C23 H25 Cl N3 Rh -","- C46 H50 Cl2 N6 Rh2 -","2","1","","Donnelly, Kate F.; Lalrempuia, Ralte; Müller-Bunz, Helge; Albrecht, Martin","Regioselective Electrophilic C‒H Bond Activation in Triazolylidene Metal Complexes Containing a N-Bound Phenyl Substituent","Organometallics","2012","31","23","8414","","10.1021/om300983m","","","0.71073","MoKα","","0.0242","0.0215","","","0.0483","0.0496","","","","","","1.059","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079712","12.259","0.0001","18.413","0.0001","18.183","0.0002","90","","99.087","0.001","90","","4052.85","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H51 N2 P2 Rh -","- C46 H51 N2 P2 Rh -","- C184 H204 N8 P8 Rh4 -","4","1","","Segarra, Candela; Mas-Marz Elena; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Ring-Expanded N-Heterocyclic Carbene Complexes of Rhodium with Bifluoride, Fluoride, and Fluoroaryl Ligands","Organometallics","2012","31","24","8584","","10.1021/om300984v","","","0.71073","MoKα","","0.0353","0.0274","","","0.0631","0.0684","","","","","","0.994","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079713","10.7914","0.0003","11.689","0.0003","18.7289","0.0004","75.783","0.002","86.843","0.002","70.878","0.002","2162.93","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H58 F2 N2 P2 Rh -","- C49 H58 F2 N2 P2 Rh -","- C98 H116 F4 N4 P4 Rh2 -","2","1","","Segarra, Candela; Mas-Marz Elena; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Ring-Expanded N-Heterocyclic Carbene Complexes of Rhodium with Bifluoride, Fluoride, and Fluoroaryl Ligands","Organometallics","2012","31","24","8584","","10.1021/om300984v","","","0.7107","MoKα","","0.0531","0.0333","","","0.0699","0.0727","","","","","","0.935","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079714","10.741","0.0002","11.606","0.0002","18.813","0.0003","74.523","0.001","88.812","0.001","69.969","0.001","2116.98","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H53 F N2 P2 Rh -","- C49 H53 F N2 P2 Rh -","- C98 H106 F2 N4 P4 Rh2 -","2","1","","Segarra, Candela; Mas-Marz Elena; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Ring-Expanded N-Heterocyclic Carbene Complexes of Rhodium with Bifluoride, Fluoride, and Fluoroaryl Ligands","Organometallics","2012","31","24","8584","","10.1021/om300984v","","","0.71073","MoKα","","0.0592","0.0398","","","0.0861","0.0938","","","","","","1.051","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079715","10.498","0.0001","20.74","0.0003","23.255","0.0004","90","","99.073","0.001","90","","4999.93","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 F5 N2 P2 Rh -","- C58 H56 F5 N2 P2 Rh -","- C232 H224 F20 N8 P8 Rh4 -","4","1","","Segarra, Candela; Mas-Marz Elena; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Ring-Expanded N-Heterocyclic Carbene Complexes of Rhodium with Bifluoride, Fluoride, and Fluoroaryl Ligands","Organometallics","2012","31","24","8584","","10.1021/om300984v","","","0.71073","MoKα","","0.0655","0.039","","","0.0804","0.0904","","","","","","1.039","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079716","38.65","0.0009","9.329","0.0003","20.091","0.0005","90","","99.36","0.002","90","","7147.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H43.96 Br0.04 N2 O P Rh -","- C41 H43.96 Br0.04 N2 O P Rh -","- C328 H351.68 Br0.32 N16 O8 P8 Rh8 -","8","1","","Segarra, Candela; Mas-Marz Elena; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Ring-Expanded N-Heterocyclic Carbene Complexes of Rhodium with Bifluoride, Fluoride, and Fluoroaryl Ligands","Organometallics","2012","31","24","8584","","10.1021/om300984v","","","0.71073","MoKα","","0.0723","0.0375","","","0.0824","0.0954","","","","","","1.018","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079717","10.74","0.003","17.988","0.005","18.789","0.006","92.293","0.005","92.391","0.006","90.34","0.005","3623.7","1.8","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H70.5 N8 O1.25 Ru2 S12 -","- C68 H70.5 N8 O1.25 Ru2 S12 -","- C136 H141 N16 O2.5 Ru4 S24 -","2","1","","Cai, Xu-Min; Zhang, Xiang-Yi; Savchenko, Julia; Cao, Zhi; Ren, Tong; Zuo, Jing-Lin","New Linear π-Conjugated Diruthenium Compounds Containing Axial Tetrathiafulvalene-acetylide Ligands","Organometallics","2012","31","24","8591","","10.1021/om300985z","","","0.71073","MoKα","","0.085","0.0598","","","0.1241","0.1294","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079718","8.9815","0.001","7.5601","0.0008","14.071","0.0016","90","","106.058","0.009","90","","918.16","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br2 -","- C22 H20 Br2 -","- C44 H40 Br4 -","2","0.5","","Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Influence of the Bridging Elements on the Optical Properties of Linked 9,10-Dihydro-9,10-diboraanthracenes","Organometallics","2012","31","23","8420","","10.1021/om300990z","","","0.71073","MoKα","","0.0496","0.0388","","","0.0773","0.0809","","","","","","1.104","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079719","21.0472","0.001","9.0583","0.0003","24.9332","0.0011","90","","104.727","0.004","90","","4597.4","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Br2 -","- C28 H24 Br2 -","- C224 H192 Br16 -","8","1","","Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Influence of the Bridging Elements on the Optical Properties of Linked 9,10-Dihydro-9,10-diboraanthracenes","Organometallics","2012","31","23","8420","","10.1021/om300990z","","","0.71073","MoKα","","0.0367","0.0304","","","0.0687","0.071","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079720","10.115","0.006","16.201","0.01","22.21","0.013","93.009","0.015","90.754","0.011","97.067","0.015","3606","4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","2a","","","- C34 H52 Cl N3 Si2 -","- C34 H52 Cl N3 Si2 -","- C136 H208 Cl4 N12 Si8 -","4","2","","Cui, Haiyan; Ma, Bing; Cui, Chunming","Metal-Free, Stereospecific Bis-Silylation of Functionalized Alkynes with NHC-Supported Silylaminosilylene","Organometallics","2012","31","21","7339","","10.1021/om3009958","","","0.71073","MoKα","","0.1764","0.1051","","","0.3007","0.3323","","","","","","1.089","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079721","9.011","0.005","20.22","0.011","19.411","0.011","90","","96.957","0.009","90","","3511","3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2b","","","- C34 H52 Cl N3 Si2 -","- C34 H52 Cl N3 Si2 -","- C136 H208 Cl4 N12 Si8 -","4","1","","Cui, Haiyan; Ma, Bing; Cui, Chunming","Metal-Free, Stereospecific Bis-Silylation of Functionalized Alkynes with NHC-Supported Silylaminosilylene","Organometallics","2012","31","21","7339","","10.1021/om3009958","","","0.71073","MoKα","","0.1019","0.0737","","","0.1634","0.1799","","","","","","1.171","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079722","10.483","0.003","10.8","0.004","19.839","0.006","91.576","0.004","90.342","0.005","109.762","0.007","2112.7","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","3","","","- C40 H56 Cl N3 Si2 -","- C40 H56 Cl N3 Si2 -","- C80 H112 Cl2 N6 Si4 -","2","1","","Cui, Haiyan; Ma, Bing; Cui, Chunming","Metal-Free, Stereospecific Bis-Silylation of Functionalized Alkynes with NHC-Supported Silylaminosilylene","Organometallics","2012","31","21","7339","","10.1021/om3009958","","","0.71073","MoKα","","0.0511","0.0364","","","0.0852","0.0901","","","","","","0.983","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079723","10.588","0.002","10.827","0.002","19.271","0.005","77.452","0.01","82.016","0.011","70.643","0.009","2029.1","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","7a","","","- C36 H54 Cl N3 O2 Si2 -","- C36 H54 Cl N3 O2 Si2 -","- C72 H108 Cl2 N6 O4 Si4 -","2","1","","Cui, Haiyan; Ma, Bing; Cui, Chunming","Metal-Free, Stereospecific Bis-Silylation of Functionalized Alkynes with NHC-Supported Silylaminosilylene","Organometallics","2012","31","21","7339","","10.1021/om3009958","","","0.71073","MoKα","","0.106","0.0627","","","0.1242","0.1432","","","","","","1.028","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079724","16.981","0.004","15.637","0.004","12.337","0.003","90","","90","","90","","3275.9","1.4","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","8","","","- C30 H50 Cl N3 O2 Si2 -","- C30 H50 Cl N3 O2 Si2 -","- C120 H200 Cl4 N12 O8 Si8 -","4","1","","Cui, Haiyan; Ma, Bing; Cui, Chunming","Metal-Free, Stereospecific Bis-Silylation of Functionalized Alkynes with NHC-Supported Silylaminosilylene","Organometallics","2012","31","21","7339","","10.1021/om3009958","","","1.54178","CuKα","","0.0459","0.0454","","","0.097","0.0973","","","","","","1.225","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079725","9.6398","0.0016","18.262","0.002","21.578","0.002","75.184","0.01","78.245","0.015","84.203","0.017","3590.5","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","9","","","- C33 H51 Cl N4 Si2 -","- C33 H51 Cl N4 Si2 -","- C132 H204 Cl4 N16 Si8 -","4","2","","Cui, Haiyan; Ma, Bing; Cui, Chunming","Metal-Free, Stereospecific Bis-Silylation of Functionalized Alkynes with NHC-Supported Silylaminosilylene","Organometallics","2012","31","21","7339","","10.1021/om3009958","","","1.54178","CuKα","","0.0666","0.055","","","0.1354","0.1516","","","","","","1.064","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079726","11.129","0.005","16.631","0.007","21.272","0.001","90","","98.68","0.02","90","","3892","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H51 N5 Si -","- C46 H51 N5 Si -","- C184 H204 N20 Si4 -","4","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar","Reactivity of Stable Heteroleptic Silylene PhC(NtBu)2SiNPh2toward Diazobenzene andN-Benzylidineaniline","Organometallics","2012","31","24","8608","","10.1021/om300999e","","","0.71073","MoKα","","0.0655","0.0444","","","0.0959","0.1038","","","","","","1.035","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079727","11.486","0.004","15.541","0.005","19.133","0.006","90","","97.84","0.02","90","","3383.4","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 N4 Si -","- C40 H44 N4 Si -","- C160 H176 N16 Si4 -","4","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar","Reactivity of Stable Heteroleptic Silylene PhC(NtBu)2SiNPh2toward Diazobenzene andN-Benzylidineaniline","Organometallics","2012","31","24","8608","","10.1021/om300999e","","","0.71073","MoKα","","0.0623","0.0438","","","0.1046","0.1124","","","","","","1.056","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079728","21.374","0.0012","13.3834","0.0008","21.1553","0.0012","90","","96.549","0.004","90","","6012.1","0.6","173","2","173","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","[Pd2(pentalene(SiiPr3)2)2]","","","- C52 H92 Pd2 Si4 -","- C43.212 H76.452 Pd2 Si3.324 -","- C172.848 H305.808 Pd8 Si13.296 -","4","1","","Summerscales, Owen T.; Rivers, Christopher J.; Taylor, Morgan J.; Hitchcock, Peter B.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Double-Sandwich Pentalene Complexes M2(pent†)2(M = Rh, Pd; pent†= 1,4-Bis(triisopropylsilyl)pentalene): Synthesis, Structure, and Bonding","Organometallics","2012","31","24","8613","","10.1021/om3010004","","x-ray","0.71073","MoKα","","0.1155","0.1087","","","0.2962","0.3021","","","","","","1.135","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079729","22.188","0.005","13.183","0.003","21.397","0.011","90","","120.37","0.03","90","","5400","4","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H92 Rh2 Si4 -","- C52 H92 Rh2 Si4 -","- C208 H368 Rh8 Si16 -","4","0.5","","Summerscales, Owen T.; Rivers, Christopher J.; Taylor, Morgan J.; Hitchcock, Peter B.; Green, Jennifer C.; Cloke, F. Geoffrey N.","Double-Sandwich Pentalene Complexes M2(pent†)2(M = Rh, Pd; pent†= 1,4-Bis(triisopropylsilyl)pentalene): Synthesis, Structure, and Bonding","Organometallics","2012","31","24","8613","","10.1021/om3010004","","x-ray","0.71073","MoKα","","0.0789","0.0638","","","0.1648","0.1776","","","","","","1.06","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079730","7.475","0.0006","14.0637","0.0012","15.9427","0.0013","90","","90","","90","","1676","0.2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Cp*Ir(kappa2-2,4-pyridinedicarboxylic acid)Cl]","","","- C17 H19 Cl Ir N O4 -","- C17 H19 Cl Ir N O4 -","- C68 H76 Cl4 Ir4 N4 O16 -","4","1","","Bucci, Alberto; Savini, Arianna; Rocchigiani, Luca; Zuccaccia, Cristiano; Rizzato, Silvia; Albinati, Alberto; Llobet, Antoni; Macchioni, Alceo","Organometallic Iridium Catalysts Based on Pyridinecarboxylate Ligands for the Oxidative Splitting of Water","Organometallics","2012","31","23","8071","","10.1021/om301024s","","","0.71073","MoKα","","0.0187","0.0163","","","0.0351","0.0358","","","","","","1.044","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079731","16.484","0.0017","18.1198","0.0018","19.0049","0.0019","90","","90","","90","","5676.5","1","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl3 Mo N P2 -","- C27 H35 Cl3 Mo N P2 -","- C216 H280 Cl24 Mo8 N8 P16 -","8","1","","Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands","Organometallics","2012","31","23","8437","","10.1021/om301046t","","","0.71075","MoKα","","","0.0301","","","","0.051","","","","","","1.038","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079732","16.1351","0.0004","18.2992","0.0004","20.8235","0.0005","90","","90","","90","","6148.3","0.3","183","","183","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H47 Cl3 Mo N P2 -","- C27 H47 Cl3 Mo N P2 -","- C216 H376 Cl24 Mo8 N8 P16 -","8","1","","Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands","Organometallics","2012","31","23","8437","","10.1021/om301046t","","","0.71075","MoKα","","","0.0266","","","","0.0509","","","","","","1.007","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079733","19.8028","0.0004","14.0359","0.0003","26.7018","0.0005","90","","105.015","0.0007","90","","7168.4","0.3","183","","183","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H88 Mo2 N12 P4 -","- C72 H70 Mo2 N12 P4 -","- C288 H280 Mo8 N48 P16 -","4","0.5","","Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands","Organometallics","2012","31","23","8437","","10.1021/om301046t","","","0.71075","MoKα","","","0.0495","","","","0.1167","","","","","","1.02","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079734","12.4475","0.0004","22.2321","0.0007","19.5339","0.0007","90","","91.406","0.0009","90","","5404.1","0.3","198","","198","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 Mo2 N12 P4 -","- C42 H78 Mo2 N12 P4 -","- C168 H312 Mo8 N48 P16 -","4","1","","Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands","Organometallics","2012","31","23","8437","","10.1021/om301046t","","","0.71075","MoKα","","","0.0502","","","","0.0715","","","","","","1.011","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079735","13.9124","0.0004","15.2581","0.0004","18.9291","0.0007","90","","104.785","0.0012","90","","3885.2","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JMM02051","JMM02051","","- C41 H28 B F20 Ir N2 -","- C41 H28 B F20 Ir N2 -","- C164 H112 B4 F80 Ir4 N8 -","4","1","","Meredith, Joseph M.; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","η6-Tetramethylfulvene and μ-η3:η3-Benzene Complexes of Iridium","Organometallics","2012","31","23","8459","","10.1021/om3010492","","","0.71073","MoKα","","0.1099","0.0457","","","0.0668","0.0802","","","","","","0.854","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079736","11.2424","0.0004","13.1663","0.0004","14.8575","0.0005","109.904","0.001","104.465","0.002","104.612","0.002","1859.81","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","JMM02099","JMM02099","","- C76 H62 B2 Cl4 F30 Ir2 N4 -","- C76 H62 B2 Cl4 F30 Ir2 N4 -","- C76 H62 B2 Cl4 F30 Ir2 N4 -","1","0.5","","Meredith, Joseph M.; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","η6-Tetramethylfulvene and μ-η3:η3-Benzene Complexes of Iridium","Organometallics","2012","31","23","8459","","10.1021/om3010492","","","0.71073","MoKα","","0.0144","0.0134","","","0.0351","0.0357","","","","","","1","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079737","11.9815","0.0004","12.0906","0.0004","13.5037","0.0004","108.418","0.001","101.066","0.002","102.707","0.001","1736.8","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jmm03045","jmm03045","","- C37 H29 B F15 Ir N2 -","- C37 H29 B F15 Ir N2 -","- C74 H58 B2 F30 Ir2 N4 -","2","1","","Meredith, Joseph M.; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","η6-Tetramethylfulvene and μ-η3:η3-Benzene Complexes of Iridium","Organometallics","2012","31","23","8459","","10.1021/om3010492","","","0.71073","MoKα","","0.0303","0.0264","","","0.0565","0.0583","","","","","","1.049","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079738","16.5362","0.0008","15.2844","0.0008","15.755","0.0008","90","","107.34","0.001","90","","3801","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H51.4 B N7 Os P -","- C35.5 H51.4 B N7 Os P -","- C142 H205.6 B4 N28 Os4 P4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Alkenylation of 2-Methylpyridine via Pyridylidene‒Osmium Complexes","Organometallics","2012","31","24","8618","","10.1021/om301058n","","","0.71073","MoKα","","0.039","0.0249","","","0.0626","0.0697","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079739","16.9932","0.001","15.2993","0.0009","15.7064","0.001","90","","107.738","0.001","90","","3889.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61 B N7 Os P -","- C37 H61 B N7 Os P -","- C148 H244 B4 N28 Os4 P4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Alkenylation of 2-Methylpyridine via Pyridylidene‒Osmium Complexes","Organometallics","2012","31","24","8618","","10.1021/om301058n","","","0.71073","MoKα","","0.0372","0.0262","","","0.0636","0.0675","","","","","","0.973","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079740","10.5349","0.001","20.4383","0.0018","14.8765","0.0014","90","","93.238","0.001","90","","3198","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 B N7 Os P -","- C32 H43 B N7 Os P -","- C128 H172 B4 N28 Os4 P4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Alkenylation of 2-Methylpyridine via Pyridylidene‒Osmium Complexes","Organometallics","2012","31","24","8618","","10.1021/om301058n","","","0.71073","MoKα","","0.0632","0.0437","","","0.0874","0.0977","","","","","","1.031","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079741","33.2496","0.0003","20.4868","0.0002","19.4945","0.0002","90","","121.472","0.0005","90","","11325.7","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H55 Ir N4 -","- C44 H55 Ir N4 -","- C528 H660 Ir12 N48 -","12","1.5","","Phillips, Nicholas; Rowles, Johnny; Kelly, Michael J.; Riddlestone, Ian; Rees, Nicholas H.; Dervisi, Athanasia; Fallis, Ian A.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Complexes: Air-Stable 14-Electron Cations and Facile Degenerate C‒H Activation","Organometallics","2012","31","23","8075","","10.1021/om301060h","","","0.71073","MoKα","","0.076","0.0539","","0.0984","0.0869","0.0984","","","","","","0.9509","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079742","32.1355","0.0004","20.8001","0.0003","20.6871","0.0003","90","","120.27","0.0006","90","","11942.5","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H59 Ir N4 -","- C46 H59 Ir N4 -","- C552 H708 Ir12 N48 -","12","1.5","","Phillips, Nicholas; Rowles, Johnny; Kelly, Michael J.; Riddlestone, Ian; Rees, Nicholas H.; Dervisi, Athanasia; Fallis, Ian A.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Complexes: Air-Stable 14-Electron Cations and Facile Degenerate C‒H Activation","Organometallics","2012","31","23","8075","","10.1021/om301060h","","","0.71073","MoKα","","0.1077","0.0465","","0.1022","0.0673","0.1022","","","","","","0.9979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079743","15.11","0.0003","17.1158","0.0004","17.3974","0.0004","63.004","0.002","66.1775","0.0019","75.0989","0.0019","3652.43","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H68 B F24 Ir N4 -","- C76 H68 B F24 Ir N4 -","- C152 H136 B2 F48 Ir2 N8 -","2","1","","Phillips, Nicholas; Rowles, Johnny; Kelly, Michael J.; Riddlestone, Ian; Rees, Nicholas H.; Dervisi, Athanasia; Fallis, Ian A.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Complexes: Air-Stable 14-Electron Cations and Facile Degenerate C‒H Activation","Organometallics","2012","31","23","8075","","10.1021/om301060h","","","1.5418","CuKα","","0.0351","0.0333","","0.0829","0.0808","0.0829","","","","","","0.9077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079744","12.623","0.0002","16.379","0.0003","19.2977","0.0003","100.917","0.0008","104.042","0.0007","94.8383","0.0009","3764.84","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C78.5 H73 B Cl F24 Ir N4 -","- C78.5 H73 B Cl F24 Ir N4 -","- C157 H146 B2 Cl2 F48 Ir2 N8 -","2","1","","Phillips, Nicholas; Rowles, Johnny; Kelly, Michael J.; Riddlestone, Ian; Rees, Nicholas H.; Dervisi, Athanasia; Fallis, Ian A.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Complexes: Air-Stable 14-Electron Cations and Facile Degenerate C‒H Activation","Organometallics","2012","31","23","8075","","10.1021/om301060h","","","0.71073","MoKα","","0.0988","0.0575","","0.1289","0.0958","0.1289","","","","","","0.9607","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079745","13.8329","0.0001","16.2697","0.0002","17.7359","0.0002","91.7424","0.0004","110.893","0.0004","90.7674","0.0007","3726.17","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H70 B F24 Ir N4 -","- C76 H70 B F24 Ir N4 -","- C152 H140 B2 F48 Ir2 N8 -","2","1","","Phillips, Nicholas; Rowles, Johnny; Kelly, Michael J.; Riddlestone, Ian; Rees, Nicholas H.; Dervisi, Athanasia; Fallis, Ian A.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Complexes: Air-Stable 14-Electron Cations and Facile Degenerate C‒H Activation","Organometallics","2012","31","23","8075","","10.1021/om301060h","","","0.71073","MoKα","","0.0533","0.0426","","0.1077","0.098","0.1077","","","","","","0.845","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079746","13.031","0.0002","14.956","0.0002","19.9381","0.0003","99.3037","0.0005","104.818","0.0006","91.3768","0.0005","3698.41","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 B F24 Ir N4 -","- C78 H74 B F24 Ir N4 -","- C156 H148 B2 F48 Ir2 N8 -","2","1","","Phillips, Nicholas; Rowles, Johnny; Kelly, Michael J.; Riddlestone, Ian; Rees, Nicholas H.; Dervisi, Athanasia; Fallis, Ian A.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Complexes: Air-Stable 14-Electron Cations and Facile Degenerate C‒H Activation","Organometallics","2012","31","23","8075","","10.1021/om301060h","","","0.71073","MoKα","","0.0816","0.0478","","0.1143","0.0838","0.1143","","","","","","0.9598","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079747","14.6348","0.0017","25.776","0.003","13.8","0.0016","90","","90.064","0.002","90","","5205.7","1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H34.25 B F4 N O0.63 -","- C27.5 H33 B F4 N O0.625 -","- C220 H264 B8 F32 N8 O5 -","8","2","","Kashiwame, Yohei; Kuwata, Shigeki; Ikariya, Takao","Catalytic Intramolecular Hydroamination with a Bifunctional Iridium Pyrazolato Complex: Substrate Scope and Mechanistic Elucidation","Organometallics","2012","31","23","8444","","10.1021/om301063n","","","0.71075","MoKα","","","0.0611","","","","0.1393","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079748","13.306","0.003","14.366","0.003","14.874","0.003","90","","106.669","0.003","90","","2723.7","1","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Ir N2 O -","- C31 H39 Ir N2 O -","- C124 H156 Ir4 N8 O4 -","4","1","","Kashiwame, Yohei; Kuwata, Shigeki; Ikariya, Takao","Catalytic Intramolecular Hydroamination with a Bifunctional Iridium Pyrazolato Complex: Substrate Scope and Mechanistic Elucidation","Organometallics","2012","31","23","8444","","10.1021/om301063n","","","0.71075","MoKα","","","0.0457","","","","0.1078","","","","","","1","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079749","14.278","0.004","19.086","0.005","19.509","0.005","90","","95.591","0.004","90","","5291","2","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Ir N3 O0.5 -","- C31 H32 Ir N3 O0.5 -","- C248 H256 Ir8 N24 O4 -","8","2","","Kashiwame, Yohei; Kuwata, Shigeki; Ikariya, Takao","Catalytic Intramolecular Hydroamination with a Bifunctional Iridium Pyrazolato Complex: Substrate Scope and Mechanistic Elucidation","Organometallics","2012","31","23","8444","","10.1021/om301063n","","","0.7107","MoKα","","","0.0357","","","","0.1014","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079750","23.246","0.011","11.251","0.005","21.322","0.009","90","","99.203","0.007","90","","5505","4","93.1","","93.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H35 Ir N3 O0.5 -","- C32 H35 Ir N3 O0.5 -","- C256 H280 Ir8 N24 O4 -","8","1","","Kashiwame, Yohei; Kuwata, Shigeki; Ikariya, Takao","Catalytic Intramolecular Hydroamination with a Bifunctional Iridium Pyrazolato Complex: Substrate Scope and Mechanistic Elucidation","Organometallics","2012","31","23","8444","","10.1021/om301063n","","","0.7107","MoKα","","","0.0369","","","","0.1139","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079751","22.6347","0.0019","10.1885","0.0005","26.0061","0.0016","90","","109.959","0.002","90","","5637.1","0.7","93.1","","93.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Ir N3 O2 S -","- C32 H34 Ir N3 O2 S -","- C256 H272 Ir8 N24 O16 S8 -","8","2","","Kashiwame, Yohei; Kuwata, Shigeki; Ikariya, Takao","Catalytic Intramolecular Hydroamination with a Bifunctional Iridium Pyrazolato Complex: Substrate Scope and Mechanistic Elucidation","Organometallics","2012","31","23","8444","","10.1021/om301063n","","","0.7107","MoKα","","","0.0346","","","","0.0836","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079752","14.519","0.003","14.841","0.003","15.945","0.003","90","","98.164","0.003","90","","3401","1.2","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H46 Ir N3 -","- C43 H46 Ir N3 -","- C172 H184 Ir4 N12 -","4","1","","Kashiwame, Yohei; Kuwata, Shigeki; Ikariya, Takao","Catalytic Intramolecular Hydroamination with a Bifunctional Iridium Pyrazolato Complex: Substrate Scope and Mechanistic Elucidation","Organometallics","2012","31","23","8444","","10.1021/om301063n","","","0.71075","MoKα","","","0.0261","","","","0.0691","","","","","","1.009","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079753","12.8039","0.0008","14.2107","0.0009","17.4436","0.0011","92.171","0.003","90.824","0.003","102.053","0.003","3100.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H80 B Li O5 -","- C75.996 H79.992 B Li O4.999 -","- C151.992 H159.984 B2 Li2 O9.998 -","2","1","","Braunschweig, Holger; Hörl, Christian; Hupp, Florian; Radacki, Krzysztof; Wahler, Johannes","Borole-Derived Spirocyclic Tetraorganoborate","Organometallics","2012","31","23","8463","","10.1021/om301070q","","","0.71073","MoKα","","0.0774","0.0536","","","0.1294","0.1435","","","","","","1.032","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079754","22.942","0.003","15.907","0.003","36.271","0.006","90","","90.922","0.004","90","","13235","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H86 B Br P2 Pt -","- C64 H86 B Br P2 Pt -","- C512 H688 B8 Br8 P16 Pt8 -","8","1","","Braunschweig, Holger; Hörl, Christian; Hupp, Florian; Radacki, Krzysztof; Wahler, Johannes","Borole-Derived Spirocyclic Tetraorganoborate","Organometallics","2012","31","23","8463","","10.1021/om301070q","","","0.71073","MoKα","","0.0363","0.0274","","","0.0604","0.0624","","","","","","1.071","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079755","14.0647","0.0008","29.0442","0.0016","24.8349","0.0014","90","","97.855","0.002","90","","10049.8","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C122 H130 B2 Cl4 P2 Pt -","- C122 H130 B2 Cl4 P2 Pt -","- C488 H520 B8 Cl16 P8 Pt4 -","4","1","","Braunschweig, Holger; Hörl, Christian; Hupp, Florian; Radacki, Krzysztof; Wahler, Johannes","Borole-Derived Spirocyclic Tetraorganoborate","Organometallics","2012","31","23","8463","","10.1021/om301070q","","","0.71073","MoKα","","0.0576","0.034","","","0.0668","0.0748","","","","","","0.992","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079756","7.3546","0.0011","12.4212","0.0019","14.965","0.002","90","","103.296","0.003","90","","1330.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 O4 Sn -","- C7 H10 Cl4 O4 Sn -","- C28 H40 Cl16 O16 Sn4 -","4","1","","Novikov, Roman A.; Balakirev, Dmitry O.; Timofeev, Vladimir P.; Tomilov, Yury V.","Complexes of Donor‒Acceptor Cyclopropanes with Tin, Titanium, and Gallium Chlorides — Mechanism Studies","Organometallics","2012","31","24","8627","","10.1021/om301072v","","","0.71073","MoKα","","0.0704","0.0592","","","0.1288","0.1406","","","","","","1.028","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079757","11.1548","0.0004","13.7581","0.0005","14.1494","0.0005","65.73","0.001","71.569","0.001","85.375","0.001","1874.97","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Ge N O10 Os3 -","- C36 H25 Ge N O10 Os3 -","- C72 H50 Ge2 N2 O20 Os6 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Osmium‒Germanium and Osmium‒Germanium‒Gold Carbonyl Cluster Complexes: Syntheses, Structures, Bonding, and Reactivity","Organometallics","2012","31","24","8639","","10.1021/om301074w","","","0.71073","MoKα","","0.0372","0.0273","","","0.0515","0.0558","","","","","","1.037","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079758","18.223","0.0011","17.1315","0.0011","28.6054","0.0018","90","","90","","90","","8930.2","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H32 Ge2 O10 Os3 -","- C46 H32 Ge2 O10 Os3 -","- C368 H256 Ge16 O80 Os24 -","8","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Osmium‒Germanium and Osmium‒Germanium‒Gold Carbonyl Cluster Complexes: Syntheses, Structures, Bonding, and Reactivity","Organometallics","2012","31","24","8639","","10.1021/om301074w","","","0.71073","MoKα","","0.0594","0.0373","","","0.0503","0.0557","","","","","","1.078","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079759","10.0493","0.0003","10.1132","0.0003","18.3249","0.0005","83.704","0.001","86.876","0.001","73.42","0.001","1773.65","0.09","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H10 Ge O17 Os5 -","- C29 H10 Ge O17 Os5 -","- C58 H20 Ge2 O34 Os10 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Osmium‒Germanium and Osmium‒Germanium‒Gold Carbonyl Cluster Complexes: Syntheses, Structures, Bonding, and Reactivity","Organometallics","2012","31","24","8639","","10.1021/om301074w","","","0.71073","MoKα","","0.068","0.0463","","","0.1003","0.112","","","","","","1.023","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079760","25.6478","0.0007","13.3284","0.0004","31.3682","0.0009","90","","105.299","0.001","90","","10343","0.5","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H37 Au Ge O10 Os3 P -","- C49 H37 Au Ge O10 Os3 P -","- C392 H296 Au8 Ge8 O80 Os24 P8 -","8","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Osmium‒Germanium and Osmium‒Germanium‒Gold Carbonyl Cluster Complexes: Syntheses, Structures, Bonding, and Reactivity","Organometallics","2012","31","24","8639","","10.1021/om301074w","","","0.71073","MoKα","","0.0585","0.0397","","","0.0747","0.081","","","","","","1.072","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079761","12.6744","0.0016","10.9674","0.0014","27.57","0.004","90","","101.452","0.003","90","","3756.1","0.9","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Au Ge O4 Os P -","- C40 H30 Au Ge O4 Os P -","- C160 H120 Au4 Ge4 O16 Os4 P4 -","4","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Osmium‒Germanium and Osmium‒Germanium‒Gold Carbonyl Cluster Complexes: Syntheses, Structures, Bonding, and Reactivity","Organometallics","2012","31","24","8639","","10.1021/om301074w","","","0.71073","MoKα","","0.0538","0.036","","","0.0799","0.0888","","","","","","1.015","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079762","12.1758","0.0017","14.985","0.002","17.474","0.003","107.19","0.003","108.865","0.003","91.232","0.003","2857.9","0.7","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H42 Au Cl2 Ge O8 Os3 P -","- C59 H42 Au Cl2 Ge O8 Os3 P -","- C118 H84 Au2 Cl4 Ge2 O16 Os6 P2 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Osmium‒Germanium and Osmium‒Germanium‒Gold Carbonyl Cluster Complexes: Syntheses, Structures, Bonding, and Reactivity","Organometallics","2012","31","24","8639","","10.1021/om301074w","","","0.71073","MoKα","","0.0644","0.0432","","","0.0951","0.1053","","","","","","1.054","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079763","17.588","0.0003","18.907","0.0004","16.774","0.0003","90","","90.123","0.003","90","","5577.95","0.18","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H43 Ca I O4.5 -","- C25 H43 Ca I O4.5 -","- C200 H344 Ca8 I8 O36 -","8","1","","Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides","Organometallics","2012","31","24","8647","","10.1021/om301087e","","","0.71073","MoKα","","0.0552","0.0483","","","0.1074","0.1131","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079764","13.3143","0.0009","12.0557","0.0009","16.2773","0.0012","90","","91.975","0.003","90","","2611.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 Ca I O4 -","- C24 H41 Ca I O4 -","- C96 H164 Ca4 I4 O16 -","4","1","","Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides","Organometallics","2012","31","24","8647","","10.1021/om301087e","","","0.71073","MoKα","","0.0383","0.0296","","","0.0656","0.069","","","","","","0.992","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079765","7.9202","0.0005","10.228","0.0007","31.556","0.002","90","","90","","90","","2556.3","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Ca Cl I O4 -","- C22 H36 Ca Cl I O4 -","- C88 H144 Ca4 Cl4 I4 O16 -","4","1","","Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides","Organometallics","2012","31","24","8647","","10.1021/om301087e","","","0.71073","MoKα","","0.1001","0.0739","","","0.1185","0.1291","","","","","","1.291","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079766","12.1149","0.0004","13.5272","0.0003","8.3474","0.0003","90","","99.737","0.001","90","","1348.27","0.07","133","2","133","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C26 H39 Ca I O4 -","- C26 H39 Ca I O4 -","- C52 H78 Ca2 I2 O8 -","2","0.5","","Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides","Organometallics","2012","31","24","8647","","10.1021/om301087e","","","0.71073","MoKα","","0.0223","0.0219","","","0.0484","0.0486","","","","","","1.036","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079767","8.4998","0.0004","10.3725","0.0004","11.305","0.0005","82.272","0.001","75.246","0.001","70.505","0.001","907.24","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 B10 P -","- C14 H21 B10 P -","- C28 H42 B20 P2 -","2","1","","Spokoyny, Alexander M.; Lewis, Calvin D.; Teverovskiy, Georgiy; Buchwald, Stephen L.","Extremely Electron-Rich, Boron-Functionalized, Icosahedral Carborane-Based Phosphinoboranes.","Organometallics","2012","31","24","8478","8481","10.1021/om301116x","","","0.71073","MoKα","","0.0354","0.0323","","","0.0894","0.0922","","","","","","1.053","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079768","23.437","0.003","9.0908","0.001","25.04","0.003","90","","115.647","0.002","90","","4809.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 B20 Cl4 P2 Pt2 -","- C36 H54 B20 Cl4 P2 Pt2 -","- C144 H216 B80 Cl16 P8 Pt8 -","4","0.5","","Spokoyny, Alexander M.; Lewis, Calvin D.; Teverovskiy, Georgiy; Buchwald, Stephen L.","Extremely Electron-Rich, Boron-Functionalized, Icosahedral Carborane-Based Phosphinoboranes.","Organometallics","2012","31","24","8478","8481","10.1021/om301116x","","","0.71073","MoKα","","0.0347","0.0293","","","0.0794","0.0828","","","","","","1.051","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079769","12.652","0.002","9.6243","0.0016","13.932","0.002","90","","92.408","0.003","90","","1695","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 B11 P -","- C8 H28 B11 P -","- C32 H112 B44 P4 -","4","1","","Spokoyny, Alexander M.; Lewis, Calvin D.; Teverovskiy, Georgiy; Buchwald, Stephen L.","Extremely Electron-Rich, Boron-Functionalized, Icosahedral Carborane-Based Phosphinoboranes.","Organometallics","2012","31","24","8478","8481","10.1021/om301116x","","","0.71073","MoKα","","0.0348","0.0304","","","0.0869","0.0908","","","","","","1.047","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079770","10.5035","0.0006","15.583","0.0009","24.2564","0.0014","90","","96.405","0.001","90","","3945.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 B20 Cl O P2 Rh -","- C29 H42 B20 Cl O P2 Rh -","- C116 H168 B80 Cl4 O4 P8 Rh4 -","4","1","","Spokoyny, Alexander M.; Lewis, Calvin D.; Teverovskiy, Georgiy; Buchwald, Stephen L.","Extremely Electron-Rich, Boron-Functionalized, Icosahedral Carborane-Based Phosphinoboranes.","Organometallics","2012","31","24","8478","8481","10.1021/om301116x","","","0.71073","MoKα","","0.0254","0.0224","","","0.0588","0.0607","","","","","","1.086","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079771","9.7592","0.0011","10.8951","0.0012","13.356","0.0015","81.811","0.002","69.787","0.002","81.164","0.002","1310.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H72 B20 Cl7 O P2 Rh -","- C32 H72 B20 Cl7 O P2 Rh -","- C32 H72 B20 Cl7 O P2 Rh -","1","0.5","","Spokoyny, Alexander M.; Lewis, Calvin D.; Teverovskiy, Georgiy; Buchwald, Stephen L.","Extremely Electron-Rich, Boron-Functionalized, Icosahedral Carborane-Based Phosphinoboranes.","Organometallics","2012","31","24","8478","8481","10.1021/om301116x","","","0.71073","MoKα","","0.0247","0.024","","","0.061","0.0613","","","","","","1.29","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079772","12.1397","0.0016","12.5454","0.0017","18.85","0.003","90","","90.676","0.002","90","","2870.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 B F4 O6 Os P -","- C25 H38 B F4 O6 Os P -","- C100 H152 B4 F16 O24 Os4 P4 -","4","1","","Batuecas, María; Esteruelas, Miguel A.; Garc\?ía-Yebra, Cristina; Oñate, Enrique","Osmium-Centered Oxetylidene: Formation and Cleavage","Organometallics","2012","31","23","8079","","10.1021/om3011323","","","0.71073","MoKα","","0.0832","0.0523","","","0.1034","0.1174","","","","","","1.05","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4083217","11.5045","0.0004","25.1151","0.0009","6.8545","0.0002","90","","92.643","0.001","90","","1978.41","0.11","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 O10 P W -","- C17 H13 O10 P W -","- C68 H52 O40 P4 W4 -","4","1","","Mao, Yanli; Wang, Zhiyue; Ganguly, Rakesh; Mathey, François","Generation and Reactivity of Methylphosphaketene in the Coordination Sphere of Tungsten","Organometallics","2012","31","13","4786","","10.1021/om300333v","","","0.71073","MoKα","","0.0584","0.0349","","","0.0745","0.0968","","","","","","1.017","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083218","7.3278","0.0004","9.5939","0.0006","14.7198","0.0009","92.056","0.002","90.503","0.001","95.518","0.001","1029.3","0.11","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 N O5 P W -","- C18 H22 N O5 P W -","- C36 H44 N2 O10 P2 W2 -","2","1","","Mao, Yanli; Wang, Zhiyue; Ganguly, Rakesh; Mathey, François","Generation and Reactivity of Methylphosphaketene in the Coordination Sphere of Tungsten","Organometallics","2012","31","13","4786","","10.1021/om300333v","","","0.71073","MoKα","","0.0245","0.0223","","","0.0525","0.054","","","","","","1.051","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083219","16.6772","0.0019","14.3498","0.0016","22.951","0.003","90","","90","","90","","5492.5","1.1","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H106 B40 Co4 N4 O17 S12 -","- C72 H106 B40 Co4 N4 O17 S12 -","- C144 H212 B80 Co8 N8 O34 S24 -","2","0.25","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0688","0.0519","","","0.1192","0.1237","","","","","","1.041","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083220","35.295","0.008","6.5329","0.0015","21.116","0.005","90","","121.01","0.002","90","","4173","1.7","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 B20 Co2 N2 O5 S4 -","- C18 H38 B20 Co2 N2 O5 S4 -","- C72 H152 B80 Co8 N8 O20 S16 -","4","0.5","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0632","0.0512","","","0.1215","0.1285","","","","","","1.093","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083221","18.303","0.004","15.749","0.004","19.462","0.005","90","","90","","90","","5610","2","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H28 B10 Co N O2 S3 -","- C22 H28 B10 Co N O2 S3 -","- C176 H224 B80 Co8 N8 O16 S24 -","8","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0556","0.0446","","","0.1097","0.1128","","","","","","1.095","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083222","37.882","0.019","14.995","0.008","12.883","0.006","90","","97.078","0.005","90","","7262","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 B10 Co N O5 S3 -","- C28 H40 B10 Co N O5 S3 -","- C224 H320 B80 Co8 N8 O40 S24 -","8","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.1542","0.0724","","","0.1762","0.2089","","","","","","0.963","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083223","11.2355","0.0011","10.3427","0.001","18.2138","0.0018","90","","97.37","0.001","90","","2099.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B10 Co N O S2 -","- C14 H20 B10 Co N O S2 -","- C56 H80 B40 Co4 N4 O4 S8 -","4","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0535","0.0413","","","0.0978","0.1024","","","","","","0.929","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083224","16.778","0.004","14.901","0.003","9.602","0.002","90","","102.633","0.003","90","","2342.5","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B10 Co N O2 S3 -","- C14 H22 B10 Co N O2 S3 -","- C56 H88 B40 Co4 N4 O8 S12 -","4","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.057","0.0393","","","0.083","0.0875","","","","","","0.894","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083225","14.6451","0.0012","15.4289","0.0013","11.2169","0.0009","90","","109.45","0.001","90","","2389.9","0.3","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 B10 Co N O2 S3 -","- C14 H28 B10 Co N O2 S3 -","- C56 H112 B40 Co4 N4 O8 S12 -","4","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0561","0.0384","","","0.085","0.0911","","","","","","1.021","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083226","23.6733","0.0017","12.1592","0.0009","21.784","0.002","90","","121.224","0.001","90","","5362.2","0.7","273","2","273","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 B20 Cl2 Co2 N2 O4 S6 -","- C33 H50 B20 Cl2 Co2 N2 O4 S6 -","- C132 H200 B80 Cl8 Co8 N8 O16 S24 -","4","0.5","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0587","0.0503","","","0.1663","0.1719","","","","","","1.044","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083227","18.661","0.0017","7.4635","0.0007","38.315","0.004","90","","90","","90","","5336.4","0.9","273","2","273","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H26 B10 Co N O4 S3 -","- C18 H26 B10 Co N O4 S3 -","- C144 H208 B80 Co8 N8 O32 S24 -","8","2","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0787","0.0578","","","0.1353","0.1426","","","","","","1.061","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083228","13.9615","0.0015","15.6397","0.0012","19.696","0.002","74.878","0.001","69.511","0.005","65.522","0.001","3632.5","0.6","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H62 B20 Co2 N2 O15 S6 -","- C40 H62 B20 Co2 N2 O15 S6 -","- C80 H124 B40 Co4 N4 O30 S12 -","2","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0999","0.0652","","","0.1377","0.1457","","","","","","1.064","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083229","11.8988","0.0015","26.95","0.003","6.3029","0.0008","90","","90","","90","","2021.2","0.4","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H21 B0 Co N4 O4 S2 -","- C19 H19 Co N4 O4 S2 -","- C76 H76 Co4 N16 O16 S8 -","4","0.5","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.055","0.0386","","","0.0855","0.0895","","","","","","1.013","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083230","13.96","0.003","14.946","0.003","18.549","0.003","90","","126.299","0.01","90","","3119.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B10 Co N O4 S3 -","- C24 H30 B10 Co N O4 S3 -","- C96 H120 B40 Co4 N4 O16 S12 -","4","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0654","0.048","","","0.1318","0.143","","","","","","1.001","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083231","16.8057","0.0011","9.1775","0.0006","16.297","0.0011","90","","97.854","0.001","90","","2490","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 B0 Co N4 O4 S2 -","- C7 H11 Co N4 O4 S2 -","- C56 H88 Co8 N32 O32 S16 -","8","2","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0384","0.0285","","","0.07","0.0738","","","","","","1.048","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083232","17.9027","0.0008","9.7996","0.0005","12.292","0.0006","90","","113.2","0.003","90","","1982.12","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 F4 Fe O2 -","- C22 H24 F4 Fe O2 -","- C88 H96 F16 Fe4 O8 -","4","0.5","","Roemer, Max; Heinrich, Darina; Kang, Youn Kyung; Chung, Young Keun; Lentz, Dieter","Bulky-Alkyl-Substituted Bis(trifluorovinyl)ferrocenes: Redox-Autocatalytic Formation of Fluorinated Ferrocenophanes","Organometallics","2012","31","4","1500","","10.1021/om2009765","","","0.71073","MoKα","","0.0414","0.0315","","","0.0776","0.0816","","","","","","1.037","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083233","11.625","0.003","11.885","0.003","11.972","0.003","94.11","0.006","112.635","0.006","113.211","0.005","1353.6","0.6","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 F4 Fe2 O -","- C32 H34 F4 Fe2 O -","- C64 H68 F8 Fe4 O2 -","2","1","","Roemer, Max; Heinrich, Darina; Kang, Youn Kyung; Chung, Young Keun; Lentz, Dieter","Bulky-Alkyl-Substituted Bis(trifluorovinyl)ferrocenes: Redox-Autocatalytic Formation of Fluorinated Ferrocenophanes","Organometallics","2012","31","4","1500","","10.1021/om2009765","","","0.71073","MoKα","","0.0976","0.0579","","","0.1428","0.1548","","","","","","1.077","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083234","13.68","0.002","17.241","0.003","17.751","0.003","90","","100.453","0.004","90","","4117.2","1.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F7 Fe -","- C22 H25 F7 Fe -","- C176 H200 F56 Fe8 -","8","2","","Roemer, Max; Heinrich, Darina; Kang, Youn Kyung; Chung, Young Keun; Lentz, Dieter","Bulky-Alkyl-Substituted Bis(trifluorovinyl)ferrocenes: Redox-Autocatalytic Formation of Fluorinated Ferrocenophanes","Organometallics","2012","31","4","1500","","10.1021/om2009765","","","0.71073","MoKα","","0.0757","0.0632","","","0.1752","0.1904","","","","","","1.031","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083235","16.578","0.002","10.0275","0.0018","25.858","0.003","90","","107.056","0.006","90","","4109.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 F5 Fe O -","- C22 H25 F5 Fe O -","- C176 H200 F40 Fe8 O8 -","8","1","","Roemer, Max; Heinrich, Darina; Kang, Youn Kyung; Chung, Young Keun; Lentz, Dieter","Bulky-Alkyl-Substituted Bis(trifluorovinyl)ferrocenes: Redox-Autocatalytic Formation of Fluorinated Ferrocenophanes","Organometallics","2012","31","4","1500","","10.1021/om2009765","","","0.71073","MoKα","","0.0628","0.0422","","","0.1176","0.1286","","","","","","1.042","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083236","11.4823","0.0014","12.1707","0.0016","16.552","0.003","90","","90","","90","","2313.1","0.6","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 F4 Fe O -","- C26 H34 F4 Fe O -","- C104 H136 F16 Fe4 O4 -","4","1","","Roemer, Max; Heinrich, Darina; Kang, Youn Kyung; Chung, Young Keun; Lentz, Dieter","Bulky-Alkyl-Substituted Bis(trifluorovinyl)ferrocenes: Redox-Autocatalytic Formation of Fluorinated Ferrocenophanes","Organometallics","2012","31","4","1500","","10.1021/om2009765","","","0.71073","MoKα","","0.043","0.0337","","","0.0734","0.0775","","","","","","1.06","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083237","9.7791","0.0003","17.6134","0.0008","11.5627","0.0003","90","","97.786","0.002","90","","1973.24","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Fe I2 -","- C18 H24 Fe I2 -","- C72 H96 Fe4 I8 -","4","1","","Roemer, Max; Heinrich, Darina; Kang, Youn Kyung; Chung, Young Keun; Lentz, Dieter","Bulky-Alkyl-Substituted Bis(trifluorovinyl)ferrocenes: Redox-Autocatalytic Formation of Fluorinated Ferrocenophanes","Organometallics","2012","31","4","1500","","10.1021/om2009765","","","0.71073","MoKα","","0.0504","0.0423","","","0.1134","0.1205","","","","","","1.04","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083238","6.6462","0.0018","7.192","0.003","15.591","0.006","77.381","0.01","89.5","0.02","73.77","0.02","697.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Fe O7 P -","- C11 H13 Fe O7 P -","- C22 H26 Fe2 O14 P2 -","2","1","","Romanski, Steffen; Rücker, Hannelore; Stamellou, Eleni; Guttentag, Miguel; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Yard, Benito; Schmalz, Hans-Günther","Iron Dienylphosphate Tricarbonyl Complexes as Water-Soluble Enzyme-Triggered CO-Releasing Molecules (ET-CORMs)","Organometallics","2012","31","16","5800","","10.1021/om300359a","","","0.71073","MoKα","","0.0959","0.0559","","","0.1072","0.1249","","","","","","1.074","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083239","11.0155","0.0006","13.7958","0.0009","12.1604","0.0007","90","","120.31","0.004","90","","1595.38","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Fe N2 O5 P -","- C13 H19 Fe N2 O5 P -","- C52 H76 Fe4 N8 O20 P4 -","4","1","","Romanski, Steffen; Rücker, Hannelore; Stamellou, Eleni; Guttentag, Miguel; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Yard, Benito; Schmalz, Hans-Günther","Iron Dienylphosphate Tricarbonyl Complexes as Water-Soluble Enzyme-Triggered CO-Releasing Molecules (ET-CORMs)","Organometallics","2012","31","16","5800","","10.1021/om300359a","","","0.71073","MoKα","","0.0658","0.0358","","","0.0731","0.0804","","","","","","0.98","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083240","6.015","0.0004","11.6531","0.001","15.98","0.001","92.141","0.004","91.224","0.005","103.674","0.0005","1087.06","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Fe O7 P -","- C23 H21 Fe O7 P -","- C46 H42 Fe2 O14 P2 -","2","1","","Romanski, Steffen; Rücker, Hannelore; Stamellou, Eleni; Guttentag, Miguel; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Yard, Benito; Schmalz, Hans-Günther","Iron Dienylphosphate Tricarbonyl Complexes as Water-Soluble Enzyme-Triggered CO-Releasing Molecules (ET-CORMs)","Organometallics","2012","31","16","5800","","10.1021/om300359a","","","0.71073","MoKα","","0.079","0.0438","","","0.0784","0.0888","","","","","","1.01","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083241","6.2236","0.0002","27.465","0.002","10.2669","0.0005","90","","114.728","0.003","90","","1594.01","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Fe N2 O5 P -","- C13 H19 Fe N2 O5 P -","- C52 H76 Fe4 N8 O20 P4 -","4","1","","Romanski, Steffen; Rücker, Hannelore; Stamellou, Eleni; Guttentag, Miguel; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Yard, Benito; Schmalz, Hans-Günther","Iron Dienylphosphate Tricarbonyl Complexes as Water-Soluble Enzyme-Triggered CO-Releasing Molecules (ET-CORMs)","Organometallics","2012","31","16","5800","","10.1021/om300359a","","","0.71073","MoKα","","0.0457","0.0314","","","0.0719","0.0756","","","","","","1.063","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083242","15.9906","0.0001","16.97","0.0001","18.3","0.0001","90","","98.6806","0.0002","90","","4909.01","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H71 Fe2 Ge2 Se -","- C53 H71 Fe2 Ge2 Se -","- C212 H284 Fe8 Ge8 Se4 -","4","1","","Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit","Organometallics","2012","31","10","3904","","10.1021/om300064q","","","0.75","synchrotron","","0.0412","0.0367","","","0.0904","0.0934","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083243","9.5444","0.0003","10.878","0.0002","13.11","0.0003","68.8974","0.001","72.1442","0.0013","67.528","0.003","1150.66","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H64 Fe2 Ge2 -","- C50 H64 Fe2 Ge2 -","- C50 H64 Fe2 Ge2 -","1","0.5","","Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit","Organometallics","2012","31","10","3904","","10.1021/om300064q","","","0.71075","MoKα","","0.0371","0.0342","","","0.0849","0.0872","","","","","","1.046","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083244","10.4736","0.0004","11.123","0.0006","11.1532","0.0005","95.465","0.002","104.884","0.003","97.034","0.003","1235.36","0.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Br2 Fe Ge -","- C25 H32 Br2 Fe Ge -","- C50 H64 Br4 Fe2 Ge2 -","2","1","","Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit","Organometallics","2012","31","10","3904","","10.1021/om300064q","","","0.7107","MoKα","","0.0303","0.0246","","","0.0591","0.0605","","","","","","1.008","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083245","15.9943","0.0002","16.9639","0.0002","18.2615","0.0003","90","","98.7239","0.0012","90","","4897.49","0.12","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H71 Fe2 Ge2 S -","- C53 H71 Fe2 Ge2 S -","- C212 H284 Fe8 Ge8 S4 -","4","1","","Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit","Organometallics","2012","31","10","3904","","10.1021/om300064q","","","0.71075","MoKα","","0.0354","0.0315","","","0.0783","0.0808","","","","","","1.032","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083246","12.7367","0.0002","12.9147","0.0002","18.0517","0.0004","109.628","0.0009","104.893","0.0011","96.7964","0.0009","2633.62","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 Fe2 Ge2 S2 -","- C56 H78 Fe2 Ge2 S2 -","- C112 H156 Fe4 Ge4 S4 -","2","1","","Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit","Organometallics","2012","31","10","3904","","10.1021/om300064q","","","0.71075","MoKα","","0.0321","0.0285","","","0.0729","0.0754","","","","","","1.046","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083247","12.8918","0.0005","18.9669","0.0008","23.1098","0.001","72.853","0.002","76.859","0.004","79.692","0.003","5220","0.4","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H81 Fe2 Ge2 -","- C59 H81 Fe2 Ge2 -","- C236 H324 Fe8 Ge8 -","4","2","","Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit","Organometallics","2012","31","10","3904","","10.1021/om300064q","","","0.71075","MoKα","","0.1852","0.0889","","","0.1278","0.1618","","","","","","1.134","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083248","9.1574","0.0003","9.8986","0.0002","16.11","0.0004","74.4417","0.0009","75.488","0.002","80.8159","0.0013","1355.21","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 Fe Ge -","- C31 H42 Fe Ge -","- C62 H84 Fe2 Ge2 -","2","1","","Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit","Organometallics","2012","31","10","3904","","10.1021/om300064q","","","0.71069","MoKα","","0.0317","0.0252","","","0.0569","0.0597","","","","","","1.025","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083249","9.2367","0.0002","10.9748","0.0002","11.4772","0.0002","99.579","0.0008","97.8753","0.0009","93.8906","0.0019","1131.51","0.04","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 Fe2 Ge2 O2 -","- C50 H64 Fe2 Ge2 O2 -","- C50 H64 Fe2 Ge2 O2 -","1","0.5","","Sasamori, Takahiro; Miyamoto, Hisashi; Sakai, Heisuke; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)digermene: A d−π Electron System Containing a Ge═Ge Unit","Organometallics","2012","31","10","3904","","10.1021/om300064q","","","0.71075","MoKα","","0.0264","0.0259","","","0.0689","0.0695","","","","","","1.07","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083250","25.6331","0.0017","15.4787","0.0011","30.772","0.002","90","","97.328","0.002","90","","12109.6","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.5 H48 Bi Ge3 Ir3 O6 -","- C65.5 H48 Bi Ge3 Ir3 O6 -","- C524 H384 Bi8 Ge24 Ir24 O48 -","8","1","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Zhang, Qiang","Synthesis and Characterizations of Bismuth-Bridged Triiridium Carbonyl Complexes Containing Germyl/Germylene and Stannyl/Stannylene Ligands","Organometallics","2012","31","20","7264","","10.1021/om300813t","","","0.71073","MoKα","","0.07","0.0586","","","0.1351","0.1402","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083251","33.584","0.017","14.609","0.006","37.282","0.016","90","","98.623","0.014","90","","18085","14","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42.25 H30.5 Bi Cl0.5 Ge3 Ir3 O6 -","- C42.25 H30.5 Bi Cl0.5 Ge3 Ir3 O6 -","- C676 H488 Bi16 Cl8 Ge48 Ir48 O96 -","16","2","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Zhang, Qiang","Synthesis and Characterizations of Bismuth-Bridged Triiridium Carbonyl Complexes Containing Germyl/Germylene and Stannyl/Stannylene Ligands","Organometallics","2012","31","20","7264","","10.1021/om300813t","","","0.71073","MoKα","","0.1291","0.0637","","","0.1345","0.1665","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083252","15.4058","0.0002","15.4058","0.0002","30.9544","0.0007","90","","90","","120","","6362.41","0.19","294","2","294","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C20 H16 Bi0.33 Ir O2 Sn -","- C20 H16 Bi0.333333 Ir O2 Sn -","- C240 H192 Bi4 Ir12 O24 Sn12 -","12","2","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Zhang, Qiang","Synthesis and Characterizations of Bismuth-Bridged Triiridium Carbonyl Complexes Containing Germyl/Germylene and Stannyl/Stannylene Ligands","Organometallics","2012","31","20","7264","","10.1021/om300813t","","","0.71073","MoKα","","0.0456","0.0354","","","0.0838","0.0944","","","","","","1.096","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083253","12.4372","0.0003","12.4372","0.0003","38.7624","0.0019","90","","90","","120","","5192.6","0.3","294","2","294","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C14 H10 Bi0.33 Ir O2 Sn -","- C14 H10 Bi0.333333 Ir O2 Sn -","- C168 H120 Bi4 Ir12 O24 Sn12 -","12","2","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Zhang, Qiang","Synthesis and Characterizations of Bismuth-Bridged Triiridium Carbonyl Complexes Containing Germyl/Germylene and Stannyl/Stannylene Ligands","Organometallics","2012","31","20","7264","","10.1021/om300813t","","","0.71073","MoKα","","0.0535","0.045","","","0.1055","0.1095","","","","","","1.09","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083254","9.0518","0.0019","25.921","0.005","16.471","0.003","90","","94.024","0.005","90","","3855.1","1.3","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Cl2 N2 O4 P Ru -","- C40 H45 Cl2 N2 O4 P Ru -","- C160 H180 Cl8 N8 O16 P4 Ru4 -","4","1","","Bantreil, Xavier; Poater, Albert; Urbina-Blanco, César A.; Bidal, Yannick D.; Falivene, Laura; Randall, Rebecca A. M.; Cavallo, Luigi; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes","Organometallics","2012","31","21","7415","","10.1021/om300703p","","","0.71073","MoKα","","0.0617","0.0481","","","0.1252","0.1348","","","","","","1.053","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083255","11.9325","0.0004","7.616","0.0003","16.9071","0.0005","90","","95.133","0.002","90","","1530.32","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br N2 Pt -","- C15 H19 Br N2 Pt -","- C60 H76 Br4 N8 Pt4 -","4","1","","Hoseini, S. Jafar; Nasrabadi, Hasan; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Puddephatt, Richard J.","Reactivity and Mechanism in the Oxidative Addition of Allylic Halides to a Dimethylplatinum(II) Complex","Organometallics","2012","31","6","2357","","10.1021/om201289e","","","0.71073","MoKα","","0.0521","0.0313","","","0.0656","0.0735","","","","","","1.025","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083256","11.8284","0.0005","8.0909","0.0003","16.7531","0.0006","90","","94.671","0.002","90","","1597.99","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl N2 Pt -","- C16 H21 Cl N2 Pt -","- C64 H84 Cl4 N8 Pt4 -","4","1","","Hoseini, S. Jafar; Nasrabadi, Hasan; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Puddephatt, Richard J.","Reactivity and Mechanism in the Oxidative Addition of Allylic Halides to a Dimethylplatinum(II) Complex","Organometallics","2012","31","6","2357","","10.1021/om201289e","","","0.71073","MoKα","","0.0446","0.0321","","","0.0522","0.0566","","","","","","1.092","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083257","8.8825","0.0006","16.2365","0.001","24.5646","0.0015","90","","96.92","0.001","90","","3516.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H61 B10 N3 O -","- C28 H61 B10 N3 O -","- C112 H244 B40 N12 O4 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Dolgushin, Fedor M.; Haukka, Matti; Lisitsyn, Leonid A.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","1,3-Dipolar Cycloaddition of Nitrones to a Nitrile Functionality incloso-Decaborate Clusters: A Novel Reactivity Mode for the Borylated C≡N Group","Organometallics","2012","31","5","1716","","10.1021/om200993f","","","0.71073","MoKα","","0.0811","0.0532","","","0.1249","0.1468","","","","","","1.011","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083258","8.8362","0.0005","17.059","0.0008","23.2056","0.0012","90","","97.877","0.002","90","","3464.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H59 B10 N3 O2 -","- C27 H59 B10 N3 O2 -","- C108 H236 B40 N12 O8 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Dolgushin, Fedor M.; Haukka, Matti; Lisitsyn, Leonid A.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","1,3-Dipolar Cycloaddition of Nitrones to a Nitrile Functionality incloso-Decaborate Clusters: A Novel Reactivity Mode for the Borylated C≡N Group","Organometallics","2012","31","5","1716","","10.1021/om200993f","","","0.71073","MoKα","","0.0975","0.05","","","0.1106","0.132","","","","","","1.003","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083259","8.6149","0.0007","16.1842","0.0013","24.9693","0.0019","90","","98.398","0.002","90","","3444","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H59 B10 N3 O -","- C27 H59 B10 N3 O -","- C108 H236 B40 N12 O4 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Dolgushin, Fedor M.; Haukka, Matti; Lisitsyn, Leonid A.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","1,3-Dipolar Cycloaddition of Nitrones to a Nitrile Functionality incloso-Decaborate Clusters: A Novel Reactivity Mode for the Borylated C≡N Group","Organometallics","2012","31","5","1716","","10.1021/om200993f","","","0.71073","MoKα","","0.0969","0.0645","","","0.1362","0.1586","","","","","","1.034","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083260","11.471","0.004","14.344","0.005","15.534","0.006","90","","110.777","0.004","90","","2389.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl N2 Rh -","- C25 H36 Cl N2 Rh -","- C100 H144 Cl4 N8 Rh4 -","4","1","","Zhang, Jun; Qin, Xinke; Fu, Jun; Wang, Xiao; Su, Xiaolong; Hu, Fangle; Jiao, Jiajun; Shi, Min","Fine-Tunable 3,4-Dihydroquinazol-2-ylidene Carbenes: Synthesis, Rhodium(I) Complexes, and Reactivity","Organometallics","2012","31","23","8275","","10.1021/om300887y","","","0.71073","MoKα","","0.043","0.032","","","0.0791","0.0839","","","","","","1.048","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083261","17.6029","0.0005","10.3894","0.0003","13.4838","0.0003","90","","102.376","0.001","90","","2408.66","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl N2 Rh -","- C26 H28 Cl N2 Rh -","- C104 H112 Cl4 N8 Rh4 -","4","1","","Zhang, Jun; Qin, Xinke; Fu, Jun; Wang, Xiao; Su, Xiaolong; Hu, Fangle; Jiao, Jiajun; Shi, Min","Fine-Tunable 3,4-Dihydroquinazol-2-ylidene Carbenes: Synthesis, Rhodium(I) Complexes, and Reactivity","Organometallics","2012","31","23","8275","","10.1021/om300887y","","","0.71073","MoKα","","0.0327","0.0272","","","0.0771","0.0879","","","","","","1.097","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083262","7.175","0.004","11.396","0.007","21.66","0.012","90","","90","","90","","1771.1","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 I N2 -","- C17 H25 I N2 -","- C68 H100 I4 N8 -","4","1","","Zhang, Jun; Qin, Xinke; Fu, Jun; Wang, Xiao; Su, Xiaolong; Hu, Fangle; Jiao, Jiajun; Shi, Min","Fine-Tunable 3,4-Dihydroquinazol-2-ylidene Carbenes: Synthesis, Rhodium(I) Complexes, and Reactivity","Organometallics","2012","31","23","8275","","10.1021/om300887y","","","0.71073","MoKα","","0.036","0.031","","","0.0746","0.0772","","","","","","1.025","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083263","11.043","0.004","15.067","0.005","17.029","0.006","90","","91.66","0.005","90","","2832.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 Cl N2 Rh -","- C29 H44 Cl N2 Rh -","- C116 H176 Cl4 N8 Rh4 -","4","1","","Zhang, Jun; Qin, Xinke; Fu, Jun; Wang, Xiao; Su, Xiaolong; Hu, Fangle; Jiao, Jiajun; Shi, Min","Fine-Tunable 3,4-Dihydroquinazol-2-ylidene Carbenes: Synthesis, Rhodium(I) Complexes, and Reactivity","Organometallics","2012","31","23","8275","","10.1021/om300887y","","","0.71073","MoKα","","0.0542","0.0352","","","0.0695","0.0742","","","","","","0.92","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083265","12.3601","0.0002","14.9918","0.0002","24.2825","0.0003","90","","90","","90","","4499.55","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H59 B Cl Ir N2 -","- C54 H59 B Cl Ir N2 -","- C216 H236 B4 Cl4 Ir4 N8 -","4","1","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0399","0.0295","","","0.0507","0.0529","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083266","13.338","0.0002","14.6435","0.0002","18.9118","0.0003","90","","95.442","0.001","90","","3677.11","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 B Cl Ir N4 -","- C43 H47 B Cl Ir N4 -","- C172 H188 B4 Cl4 Ir4 N16 -","4","1","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0491","0.0336","","","0.0698","0.0736","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083267","12.1897","0.0001","12.962","0.0001","16.5879","0.0002","97.506","0.001","100.475","0.001","92.098","0.001","2550.27","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.8 H63.2 B Cl Ir N2 P -","- C55.8 H63.2 B Cl Ir N2 P -","- C111.6 H126.4 B2 Cl2 Ir2 N4 P2 -","2","1","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0362","0.0286","","","0.0704","0.0726","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083268","19.6897","0.0002","25.1941","0.0003","17.6879","0.0002","90","","90","","90","","8774.34","0.17","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C50 H53 B Cl Ir N4 -","- C50 H53 B Cl Ir N4 -","- C400 H424 B8 Cl8 Ir8 N32 -","8","","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0332","0.0237","","","0.0498","0.0522","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083269","11.469","0.0002","13.459","0.0001","16.6804","0.0002","93.841","0.001","105.473","0.001","96.914","0.001","2450.19","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H51 B Cl5 Ir N2 -","- C59 H51 B Cl5 Ir N2 -","- C118 H102 B2 Cl10 Ir2 N4 -","2","1","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0347","0.0278","","","0.0659","0.0679","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083270","12.3057","0.0007","14.9864","0.0008","24.3301","0.0016","90","","90","","90","","4486.9","0.5","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H59 B Cl N2 Rh -","- C54 H59 B Cl N2 Rh -","- C216 H236 B4 Cl4 N8 Rh4 -","4","1","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0519","0.0388","","","0.0769","0.0812","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083271","13.2866","0.0005","14.6089","0.0004","18.9761","0.0006","90","","95.704","0.001","90","","3665.1","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 B Cl N4 Rh -","- C43 H47 B Cl N4 Rh -","- C172 H188 B4 Cl4 N16 Rh4 -","4","1","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0762","0.0415","","","0.0837","0.091","","","","","","0.997","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083272","19.6719","0.0013","25.202","0.0015","17.6312","0.0009","90","","90","","90","","8741","0.9","90","2","90","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C50 H53 B Cl N4 Rh -","- C50 H53 B Cl N4 Rh -","- C400 H424 B8 Cl8 N32 Rh8 -","8","","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0878","0.0402","","","0.0722","0.0826","","","","","","0.992","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083273","14.692","0.003","22.825","0.004","9.1192","0.0018","90","","100.168","0.002","90","","3010","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H47 B K O6 P -","- C25 H47 B K O6 P -","- C100 H188 B4 K4 O24 P4 -","4","1","","Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges","Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals","Organometallics","2012","31","17","6428","","10.1021/om300668u","","","0.71073","MoKα","","0.1065","0.0542","","","0.1151","0.1394","","","","","","1.016","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083274","23.8882","0.0003","23.8882","0.0003","14.1077","0.0003","90","","90","","120","","6971.94","0.19","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H23 B K P -","- C13 H23 B K P -","- C234 H414 B18 K18 P18 -","18","1","","Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges","Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals","Organometallics","2012","31","17","6428","","10.1021/om300668u","","","1.54178","CuKα","","0.0451","0.0442","","","0.1081","0.1088","","","","","","1.038","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083275","21.8531","0.0007","14.5902","0.0005","9.039","0.0003","90","","107.204","0.001","90","","2753.06","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 B2 Ni2 P2 -","- C26 H46 B2 Ni2 P2 -","- C104 H184 B8 Ni8 P8 -","4","0.5","","Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges","Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals","Organometallics","2012","31","17","6428","","10.1021/om300668u","","","1.54178","CuKα","","0.0337","0.0335","","","0.0891","0.0892","","","","","","1.144","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083276","8.65","0.0017","11.99","0.002","18.21","0.004","106.09","0.03","94.29","0.03","103.88","0.03","1741.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H60 B2 P2 Pt -","- C37 H60 B2 P2 Pt -","- C74 H120 B4 P4 Pt2 -","2","1","","Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges","Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals","Organometallics","2012","31","17","6428","","10.1021/om300668u","","","1.54178","CuKα","","0.0965","0.0818","","","0.2117","0.2258","","","","","","1.183","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083277","9.3833","0.0003","10.6385","0.0004","21.9552","0.0008","77.0532","0.0014","83.1099","0.0013","77.0269","0.0012","2075.82","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C26 H46 B2 P2 Pt -","- C26 H46 B2 P2 Pt -","- C78 H138 B6 P6 Pt3 -","3","1.5","","Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges","Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals","Organometallics","2012","31","17","6428","","10.1021/om300668u","","","1.54178","CuKα","","0.0284","0.0284","","","0.0747","0.0748","","","","","","1.042","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083278","15.2401","0.0005","30.2619","0.0012","15.5994","0.0006","90","","118.643","0.002","90","","6313.9","0.4","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","Compound [FBIP-CL]~2~","","- C115 H95 Cl25 Fe2 N8 O8 Pd2 Pt2 S4 -","- C115 H95 Cl25 Fe2 N8 O8 Pd2 Pt2 S4 -","- C230 H190 Cl50 Fe4 N16 O16 Pd4 Pt4 S8 -","2","1","","Weiss, Marcel; Frey, Wolfgang; Peters, René","Asymmetric Synthesis of Heterobimetallic Planar Chiral Ferrocene Pallada-/Platinacycles and Their Application to Enantioselective Aza-Claisen Rearrangements","Organometallics","2012","31","17","6365","","10.1021/om300600v","","","0.71073","MoKα","","0.0575","0.0492","","","0.1202","0.1231","","","","","","1.082","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083279","18.279","0.006","14.532","0.004","34.588","0.007","90","","103.87","0.02","90","","8920","4","293","2","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","compound 2","","- C86 H116 Cl4 Fe N6 O4 Pd Pt S2 -","- C86 H116 Cl4 Fe N6 O4 Pd Pt S2 -","- C344 H464 Cl16 Fe4 N24 O16 Pd4 Pt4 S8 -","4","2","","Weiss, Marcel; Frey, Wolfgang; Peters, René","Asymmetric Synthesis of Heterobimetallic Planar Chiral Ferrocene Pallada-/Platinacycles and Their Application to Enantioselective Aza-Claisen Rearrangements","Organometallics","2012","31","17","6365","","10.1021/om300600v","","","0.71073","MoKα","","0.2547","0.1334","","","0.2657","0.3097","","","","","","1.14","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083280","23.4813","0.0007","10.803","0.0005","34.7075","0.0009","90","","102.178","0.003","90","","8606.1","0.5","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C159 H123 Cl37 Fe2 P8 Pt4 -","- C159 H123 Cl37 Fe2 P8 Pt4 -","- C318 H246 Cl74 Fe4 P16 Pt8 -","2","0.5","","Milde, Bianca; Packheiser, Rico; Hildebrandt, Stefanie; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Imidazole Phosphines: Synthesis, Reaction Chemistry, and Their Use in SuzukiC,CCross-Coupling Reactions","Organometallics","2012","31","9","3661","","10.1021/om300145d","","","1.54184","CuKα","","0.1617","0.0826","","","0.1819","0.2224","","","","","","0.943","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083281","13.4466","0.0009","19.1778","0.001","12.0298","0.0011","90","","109.351","0.009","90","","2926.9","0.4","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 Cl4 N4 O4 P4 Pd2 -","- C62 H52 Cl4 N4 O4 P4 Pd2 -","- C124 H104 Cl8 N8 O8 P8 Pd4 -","2","0.5","","Milde, Bianca; Packheiser, Rico; Hildebrandt, Stefanie; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Imidazole Phosphines: Synthesis, Reaction Chemistry, and Their Use in SuzukiC,CCross-Coupling Reactions","Organometallics","2012","31","9","3661","","10.1021/om300145d","","","0.71073","MoKα","","0.1066","0.0375","","","0.0573","0.0627","","","","","","0.687","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083282","40.6012","0.0007","10.5638","0.0003","28.5311","0.0006","90","","98.492","0.002","90","","12102.9","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H113 Cl3 Fe2 P8 Pt2 -","- C149 H113 Cl3 Fe2 P8 Pt2 -","- C596 H452 Cl12 Fe8 P32 Pt8 -","4","0.5","","Milde, Bianca; Packheiser, Rico; Hildebrandt, Stefanie; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Imidazole Phosphines: Synthesis, Reaction Chemistry, and Their Use in SuzukiC,CCross-Coupling Reactions","Organometallics","2012","31","9","3661","","10.1021/om300145d","","","1.54184","CuKα","","0.0727","0.0409","","","0.089","0.098","","","","","","0.884","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4087348","8.0329","0.0003","19.9615","0.0007","26.0925","0.0009","90","","90","","90","","4183.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 S2 Zr -","- C21 H23 N3 S2 Zr -","- C168 H184 N24 S16 Zr8 -","8","1","","Lenton, Taylor N.; VanderVelde, David G.; Bercaw, John E.","Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes.","Organometallics","2012","31","","7492","7499","10.1021/om300789h","","","0.71073","MoKα","","0.0494","0.0318","","","0.049","0.0499","","","","","","2.099","","","","has coordinates","201975","2020-10-21","18:00:00",""
"4087349","23.134","0.0009","54.087","0.002","7.316","0.0003","90","","90","","90","","9154.1","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H29 N4 S2 Ta -","- C23 H29 N4 S2 Ta -","- C368 H464 N64 S32 Ta16 -","16","1","","Lenton, Taylor N.; VanderVelde, David G.; Bercaw, John E.","Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes.","Organometallics","2012","31","","7492","7499","10.1021/om300789h","","","0.71073","MoKα","","0.0186","0.0174","","","0.0356","0.0358","","","","","","1.107","","","","has coordinates","201976","2020-10-21","18:00:00",""
"4087350","28.2002","0.0012","13.4469","0.0006","14.703","0.0007","90","","101.852","0.002","90","","5456.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl N3 S2 Ta -","- C28 H34 Cl N3 S2 Ta -","- C224 H272 Cl8 N24 S16 Ta8 -","8","1","","Lenton, Taylor N.; VanderVelde, David G.; Bercaw, John E.","Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes.","Organometallics","2012","31","","7492","7499","10.1021/om300789h","","","0.71073","MoKα","","0.0311","0.0193","","","0.0295","0.0302","","","","","","1.464","","","","has coordinates","201977","2020-10-21","18:00:00",""
"4089378","12.2671","0.0006","13.3398","0.0007","23.792","0.0017","98.582","0.002","94.212","0.002","117.175","0.001","3380.1","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","[L(tBu)Co(H)]2","","","- C76 H108 Co2 D6 N4 -","- C76 H114 Co2 N4 -","- C152 H228 Co4 N8 -","2","1","","Dugan, Thomas R.; Goldberg, Jonathan M.; Brennessel, William W.; Holland, Patrick L.","Low-Coordinate Cobalt Fluoride Complexes: Synthesis, Reactions, and Production from C‒F Activation Reactions","Organometallics","2012","31","4","1349","","10.1021/om200991k","","","0.71073","MoKα","","0.1096","0.0621","","","0.1348","0.1576","","","","","","1.031","","","","has coordinates,has disorder","243624","2020-10-21","18:00:00",""
"4089379","18.52","0.0011","16.6656","0.001","24.7602","0.0015","90","","90","","90","","7642.2","0.8","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","L(tBu)Co(n-hexyl)","","","- C41 H66 Co N2 -","- C41 H66 Co N2 -","- C328 H528 Co8 N16 -","8","1","","Dugan, Thomas R.; Goldberg, Jonathan M.; Brennessel, William W.; Holland, Patrick L.","Low-Coordinate Cobalt Fluoride Complexes: Synthesis, Reactions, and Production from C‒F Activation Reactions","Organometallics","2012","31","4","1349","","10.1021/om200991k","","","0.71073","MoKα","","0.112","0.0546","","","0.1175","0.1433","","","","","","1.007","","","","has coordinates","243624","2020-10-21","18:00:00",""
"4089380","27.432","0.002","9.535","0.0008","14.8903","0.0012","90","","117.789","0.001","90","","3445.6","0.5","213","2","213","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","unimc14","","","- C32 H34 F6 N2 O7 Ru2 S2 -","- C32 H34 F6 N2 O7 Ru2 S2 -","- C128 H136 F24 N8 O28 Ru8 S8 -","4","0.5","","Salembier, Hélori; Mauldin, Joshua; Hammond, Tom; Wallace, Rodney; Alqassab, Essa; Hall, Michael B.; Pérez, Lisa M.; Chen, Yuen-Jing Alexis; Turner, Katherine E.; Bockoven, Eric; Brennessel, William; Chin, Robert M.","Diruthenium Naphthalene and Anthracene Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand","Organometallics","2012","31","13","4838","","10.1021/om300384d","","","0.71073","MoKα","","0.0725","0.0459","","","0.1162","0.1283","","","","","","1.046","","","","has coordinates,has disorder","243625","2020-10-21","18:00:00",""
"4089381","8.0897","0.0009","16.2936","0.0018","15.149","0.0017","90","","101.714","0.002","90","","1955.2","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","unimc16","","","- C26 H26 Ru2 -","- C26 H26 Ru2 -","- C104 H104 Ru8 -","4","1","","Salembier, Hélori; Mauldin, Joshua; Hammond, Tom; Wallace, Rodney; Alqassab, Essa; Hall, Michael B.; Pérez, Lisa M.; Chen, Yuen-Jing Alexis; Turner, Katherine E.; Bockoven, Eric; Brennessel, William; Chin, Robert M.","Diruthenium Naphthalene and Anthracene Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand","Organometallics","2012","31","13","4838","","10.1021/om300384d","","","0.71073","MoKα","","0.0489","0.0312","","","0.0623","0.068","","","","","","1.018","","","","has coordinates","243625","2020-10-21","18:00:00",""
"4089382","12.721","0.002","15.09","0.003","18.288","0.004","93.529","0.004","90.48","0.003","106.934","0.004","3350.7","1.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","unimc10","","","- C68 H64 F12 N2 O13 Ru4 S4 -","- C68 H64 F12 N2 O13 Ru4 S4 -","- C136 H128 F24 N4 O26 Ru8 S8 -","2","1","","Salembier, Hélori; Mauldin, Joshua; Hammond, Tom; Wallace, Rodney; Alqassab, Essa; Hall, Michael B.; Pérez, Lisa M.; Chen, Yuen-Jing Alexis; Turner, Katherine E.; Bockoven, Eric; Brennessel, William; Chin, Robert M.","Diruthenium Naphthalene and Anthracene Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand","Organometallics","2012","31","13","4838","","10.1021/om300384d","","","0.71073","MoKα","","0.0699","0.0545","","","0.1326","0.1398","","","","","","1.068","","","","has coordinates","243625","2020-10-21","18:00:00",""
"4117229","11.533","0.003","10.25","0.003","15.157","0.004","90","","102.272","0.001","90","","1750.8","0.8","123.1","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Ir N2 O3 -","- C20 H21 Ir N2 O3 -","- C80 H84 Ir4 N8 O12 -","4","1","","Yuta Maenaka; Tomoyoshi Suenobu; Shunichi Fukuzumi","Efficient Catalytic Interconversion between NADH and NAD+ Accompanied by Generation and Consumption of Hydrogen with a Water-Soluble Iridium Complex at Ambient Pressure and Temperature","Journal of the American Chemical Society","2012","134","","367","374","10.1021/ja207785f","","","0.7107","MoKα","","","0.0362","","","","0.0979","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117230","57.7039","0.0004","57.7039","0.0004","70.9767","0.0009","90","","90","","120","","204671","3","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C1225.5 H1327.5 Cd66 N128.5 O332.5 -","- C949.5 H671.5 Cd66 N28.5 O216.5 -","- C5697 H4029 Cd396 N171 O1299 -","6","0.333333","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.138","0.0888","","","0.238","0.272","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117231","35.4763","0.0002","43.6363","0.0003","48.9095","0.0003","90","","90","","90","","75714.6","0.8","90","2","90","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C1242 H1296 Cd66 N116 O316 -","- C930 H556 Cd66 N12 O212 -","- C1860 H1112 Cd132 N24 O424 -","2","0.25","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","0.6889","synchrotron","","0.0761","0.0539","","","0.1405","0.1497","","","","","","1.137","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117232","37.7593","0.0011","16.0278","0.0005","20.2686","0.0006","90","","105.531","0.003","90","","11818.6","0.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H122 Cd3 N8 O26 -","- C100.5 H78.5 Cd3 N3.5 O19 -","- C402 H314 Cd12 N14 O76 -","4","0.5","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.103","0.086","","","0.267","0.289","","","","","","1.16","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117233","10.4977","0.0017","13.273","0.004","16.561","0.003","88.393","0.017","76.549","0.013","69.16","0.02","2093.6","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H82 Cd3 N4 O16 -","- C102 H82 Cd3 N4 O16 -","- C102 H82 Cd3 N4 O16 -","1","0.5","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","0.71073","MoKα","","0.147","0.089","","","0.198","0.228","","","","","","1.09","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117234","30.7832","0.0006","11.41495","0.00019","23.7561","0.0004","90","","101.419","0.0017","90","","8182.4","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C97 H76 Cd3 Cl N3 O13 -","- C97 H76 Cd3 Cl N3 O13 -","- C388 H304 Cd12 Cl4 N12 O52 -","4","1","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.0536","0.0529","","","0.1422","0.1437","","","","","","1.046","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117235","16.901","0.003","9.2889","0.0019","19.688","0.004","90","","106.99","0.03","90","","2956","1.1","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C128 H152 N8 O16 S8 -","8","2","","Mu Lin; Guan-Yu Kang; Yi-An Guo; Zhi-Xiang Yu","Asymmetric Rh(I)-Catalyzed Intramolecular [3 + 2] Cycloaddition of 1-Yne-vinylcyclopropanes for Bicyclo[3.3.0] Compounds with a Chiral Quaternary Carbon Stereocenter and Density Functional Theory Study of the Origins of Enantioselectivity","Journal of the American Chemical Society","2012","134","","398","405","10.1021/ja2082119","","","0.71073","MoKα","","0.0568","0.0531","","","0.1308","0.1336","","","","","","1.09","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117236","15.095","0.005","16.824","0.005","17.09","0.005","90.401","0.004","97.417","0.008","97.631","0.009","4264","2","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C48.5 H90 Na O45 -","- C48.5 H81.5 Na O45 -","- C97 H163 Na2 O90 -","2","2","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","0.71073","MoKα","","0.1255","0.1224","","","0.3235","0.327","","","","","","1.48","","","","has coordinates","286259","2023-09-07","06:04:42",""
"4117237","24.136","0.006","24.136","0.006","15.454","0.004","90","","90","","90","","9003","4","93","2","93","2","","","","","","","","4","I 4","I 4","79","","","","- C25 H45 Cs O22 -","- C25 H43 Cs O21 -","- C200 H344 Cs8 O168 -","8","1","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","0.71073","MoKα","","0.0799","0.0799","","","0.2377","0.2378","","","","","","1.12","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117238","17.4843","0.0002","17.4843","0.0002","22.5856","0.0005","90","","90","","120","","5979.42","0.16","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C48 H75 Br2 O46 Sr -","- C48 H75 Br2 O46 Sr -","- C144 H225 Br6 O138 Sr3 -","3","1","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","1.54178","CuKα","","0.0906","0.0899","","","0.2337","0.2351","","","","","","1.031","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117239","34.6471","0.0002","34.6471","0.0002","34.6471","0.0002","90","","90","","90","","41591.1","0.4","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 N288 Zn48 -","- C384 H288 N288 Zn48 -","- C768 H576 N576 Zn96 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54178","CuKα","","0.0776","0.0388","","","0.0791","0.0888","","","","","","0.867","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117240","35.795","0.0004","35.795","0.0004","35.795","0.0004","90","","90","","90","","45863.5","0.9","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 Mn48 N288 -","- C384 H288 Mn48 N288 -","- C768 H576 Mn96 N576 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.1183","0.0513","","","0.1117","0.1302","","","","","","0.82","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117241","34.2896","0.0003","34.2896","0.0003","34.2896","0.0003","90","","90","","90","","40316.9","0.6","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 Cu48 N288 -","- C384 H288 Cu48 N288 -","- C768 H576 Cu96 N576 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.051","0.0407","","","0.1148","0.1214","","","","","","1.031","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117242","33.8514","0.0019","33.8514","0.0019","33.8514","0.0019","90","","90","","90","","38791","4","100","2","100","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H384 N288 Ni48 O48 -","- C384 H384 N288 Ni48 O48 -","- C768 H768 N576 Ni96 O96 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.1852","0.1289","","","0.3104","0.3708","","","","","","1.08","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117243","13.8921","0.0004","15.077","0.0005","16.2208","0.0005","111.497","0.001","105.984","0.001","106.199","0.001","2751.22","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25.333 F N3 O6.667 -","- C17 H25.3333 F N3 O6.66667 -","- C102 H152 F6 N18 O40 -","6","3","","Mafra, Luís; Santos, Sérgio M.; Siegel, Renée; Alves, Inês; Paz, Filipe A. Almeida; Dudenko, Dmytro; Spiess, Hans W.","Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation Study","Journal of the American Chemical Society","2012","134","1","71","74","10.1021/ja208647n","","","0.71073","MoKα","","0.0852","0.0491","","","0.1206","0.1393","","","","","","1.022","","","","has coordinates","219257","2020-10-21","18:00:00",""
"4117244","13.8743","0.0006","15.9086","0.0006","16.5542","0.0011","115.64","0.003","103.505","0.003","102.53","0.002","2984.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H83 F3 N9 O23.5 -","- C51 H74 F3 N9 O23.5 -","- C102 H148 F6 N18 O47 -","2","1","","Mafra, Luís; Santos, Sérgio M.; Siegel, Renée; Alves, Inês; Paz, Filipe A. Almeida; Dudenko, Dmytro; Spiess, Hans W.","Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation Study","Journal of the American Chemical Society","2012","134","1","71","74","10.1021/ja208647n","","","0.71073","MoKα","","0.0807","0.0526","","","0.1407","0.1601","","","","","","1.038","","","","has coordinates","219257","2020-10-21","18:00:00",""
"4117245","17.2326","0.0004","7.697","0.0002","20.4782","0.0006","90","","108.648","0.001","90","","2573.62","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H46 N2 O9 S2 -","- C58.99 H40 N2 O8.99 S2 -","- C117.98 H80 N4 O17.98 S4 -","2","1","","Nandhini Ponnuswamy; G. Dan Pantoş; Maarten M. J. Smulders; Jeremy K. M. Sanders","Thermodynamics of Supramolecular Naphthalenediimide Nanotube Formation: The Influence of Solvents, Side Chains, and Guest Templates","Journal of the American Chemical Society","2012","134","","566","573","10.1021/ja2088647","","","0.71073","MoKα","","0.1344","0.0894","","","0.2312","0.2657","","","","","","1.095","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117246","17.6359","0.0011","17.6227","0.0013","7.9994","0.0005","90","","90","","90","","2486.2","0.3","100","2","100","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C18 H14 -","- C18 H14 -","- C144 H112 -","8","1","","Longwu Ye; Yanzhao Wang; Donald H. Aue; Liming Zhang","Experimental and Computational Evidence for Gold Vinylidenes: Generation from Terminal Alkynes via a Bifurcation Pathway and Facile C-H Insertions","Journal of the American Chemical Society","2012","134","","31","34","10.1021/ja2091992","","","0.71073","MoKα","","0.0636","0.053","","","0.1338","0.1425","","","","","","1.05","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117247","27.6998","0.0019","8.0335","0.0006","19.1504","0.0013","90","","90","","90","","4261.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C50 H20 Cl10 -","- C50 H20 Cl10 -","- C200 H80 Cl40 -","4","1","","Lawrence T. Scott; Edward A. Jackson; Qianyan Zhang; Brian D. Steinberg; Mihail Bancu; Bo Li","A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis","Journal of the American Chemical Society","2012","134","","107","110","10.1021/ja209461g","","","0.71073","MoKα","","0.0547","0.0467","","","0.103","0.1073","","","","","","1.064","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117248","10.8009","0.0004","16.5677","0.0005","17.0172","0.0006","90","","90","","90","","3045.16","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H10 S4 -","- C52 H10 S4 -","- C208 H40 S16 -","4","1","","Lawrence T. Scott; Edward A. Jackson; Qianyan Zhang; Brian D. Steinberg; Mihail Bancu; Bo Li","A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis","Journal of the American Chemical Society","2012","134","","107","110","10.1021/ja209461g","","","0.71073","MoKα","","0.0547","0.0375","","","0.0765","0.0833","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117249","4.763","0.0001","11.2526","0.0002","22.7956","0.0005","90","","90","","90","","1221.76","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2-(benzylseleninyl)phenyl)methanol","(2-(benzylseleninyl)phenyl)methanol","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Vanessa Nascimento; Eduardo E. Alberto; Daniel W. Tondo; Daniel Dambrowski; Michael R. Detty; Faruk Nome; Antonio L. Braga","GPx-Like Activity of Selenides and Selenoxides: Experimental Evidence for the Involvement of Hydroxy Perhydroxy Selenane as the Active Species","Journal of the American Chemical Society","2012","134","","138","141","10.1021/ja209570y","","","0.71073","MoKα","","0.0219","0.02","","","0.0489","0.0497","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117250","33.861","0.006","5.087","0.0007","18.047","0.004","90","","117.51","0.02","90","","2757.1","1","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","macrocycle","","","- C36 H24 O4 -","- C36 H24 O4 -","- C144 H96 O16 -","4","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","1.5418","CuKα","","0.112","0.0467","","","0.0956","0.1192","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117251","4.8389","0.0003","9.1349","0.0005","15.9935","0.0008","85.317","0.004","86.918","0.004","80.569","0.005","694.49","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","Monomer","5,12,24,31-Tetraoxa-tricyclo[33.3.1.16.20]tetracontra-1(39),16,18, 20(40),35,37-hexaene-2,7,9,14,21,26,28,33-octayne","","- C36 H24 O4 -","- C36 H24 O4 -","- C36 H24 O4 -","1","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","1.5418","CuKα","","0.0698","0.0519","","","0.1449","0.1678","","","","","","1.087","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117252","4.889","0.005","9.035","0.009","15.995","0.01","84.99","0.07","88.02","0.08","80.37","0.07","693.8","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","polymer","","","- C36 H24 O4 -","- C36 H24 O4 -","- C36 H24 O4 -","1","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","0.71073","MoKα","","0.2438","0.1008","","","0.2184","0.2726","","","","","","0.869","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117253","9.0332","0.0003","19.8837","0.0005","16.6632","0.0005","90","","108.186","0.0011","90","","2843.44","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 B N O P -","- C26 H39 B N O P -","- C104 H156 B4 N4 O4 P4 -","4","1","","Federica Bertini; Volodymyr Lyaskovskyy; Brian J. J. Timmer; Frans J. J. de Kanter; Martin Lutz; Andreas W. Ehlers; J. Chris Slootweg; Koop Lammertsma","Preorganized Frustrated Lewis Pairs","Journal of the American Chemical Society","2012","134","","201","204","10.1021/ja210214r","","","0.71073","MoKα","","0.0488","0.0378","","","0.0904","0.094","","","","","","0.995","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117254","11.1839","0.0003","10.8709","0.0003","17.0362","0.0005","90","","90","","90","","2071.25","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H30 B O2 P -","- C22 H30 B O2 P -","- C88 H120 B4 O8 P4 -","4","1","","Federica Bertini; Volodymyr Lyaskovskyy; Brian J. J. Timmer; Frans J. J. de Kanter; Martin Lutz; Andreas W. Ehlers; J. Chris Slootweg; Koop Lammertsma","Preorganized Frustrated Lewis Pairs","Journal of the American Chemical Society","2012","134","","201","204","10.1021/ja210214r","","","0.71073","MoKα","","0.0294","0.0269","","","0.0684","0.0698","","","","","","1.023","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117255","10.3252","0.0005","24.9121","0.0013","11.3554","0.0006","90","","91.982","0.003","90","","2919.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N3 O4 Ru -","- C32 H41 N3 O4 Ru -","- C128 H164 N12 O16 Ru4 -","4","1","","Benjamin K. Keitz; Koji Endo; Paresma R. Patel; Myles B. Herbert; Robert H. Grubbs","Improved Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2012","134","","693","699","10.1021/ja210225e","","","0.71073","MoKα","","0.0491","0.0315","","","0.0583","0.0595","","","","","","1.778","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117256","11.672","0.002","13.994","0.003","21.103","0.004","98.55","0.03","94.22","0.03","90.92","0.03","3398.1","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 B Cl2 I N2 -","- C36 H40 B I N2 -","- C144 H160 B4 I4 N8 -","4","2","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71073","MoKα","","0.1406","0.0603","","","0.1263","0.155","","","","","","0.963","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117257","11.825","0.005","15.01","0.005","20.439","0.005","90","0.005","95.079","0.005","90","0.005","3614","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 Cl4 I6 N4 P2 -","- C64 H76 Cl4 I6 N4 P2 -","- C128 H152 Cl8 I12 N8 P4 -","2","0.5","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71069","MoKα","","0.1111","0.0453","","","0.1092","0.1399","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117258","12.625","0.005","14.448","0.005","23.312","0.005","100.255","0.005","95.94","0.005","109.231","0.005","3890","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H78 B2 Cl6 I7 N4 -","- C62 H72 B2 I7 N4 -","- C124 H144 B4 I14 N8 -","2","1","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71073","MoKα","","0.0798","0.0508","","","0.1529","0.1666","","","","","","1.035","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117259","12.794","0.003","16.144","0.003","17.155","0.003","90","","94.13","0.03","90","","3534.1","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H76 Cl4 I4 N4 Te2 -","- C64 H76 Cl4 I4 N4 Te2 -","- C128 H152 Cl8 I8 N8 Te4 -","2","0.5","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71069","MoKα","","0.1213","0.0469","","","0.0625","0.077","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117260","13.1573","0.0004","23.1632","0.001","23.1529","0.0014","90","","94.162","0.0014","90","","7037.6","0.6","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H64 N6 O13 -","- C62 H60 N6 O13 -","- C248 H240 N24 O52 -","4","1","","Atsuya Muranaka; Shino Ohira; Daisuke Hashizume; Hiroyuki Koshino; Fumiko Kyotani; Machiko Hirayama; Masanobu Uchiyama","[18]/[20]π Hemiporphyrazine: A Redox-Switchable Near-Infrared Dye","Journal of the American Chemical Society","2012","134","","190","193","10.1021/ja210410c","","","0.71073","MoKα","","0.1907","0.1045","","","0.2829","0.3192","","","","","","0.926","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117261","23.7121","0.0009","30.4982","0.0014","7.9101","0.0004","90","","94.87","0.0018","90","","5699.7","0.4","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H59 N6 O11.5 -","- C62 H56 N6 O11.5 -","- C248 H224 N24 O46 -","4","0.5","","Atsuya Muranaka; Shino Ohira; Daisuke Hashizume; Hiroyuki Koshino; Fumiko Kyotani; Machiko Hirayama; Masanobu Uchiyama","[18]/[20]π Hemiporphyrazine: A Redox-Switchable Near-Infrared Dye","Journal of the American Chemical Society","2012","134","","190","193","10.1021/ja210410c","","","0.71073","MoKα","","0.1622","0.0993","","","0.2896","0.3577","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117262","11.2176","0.0009","11.7971","0.0009","12.231","0.0009","68.922","0.003","89.06","0.003","87.535","0.003","1508.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H23 B F10 P -","- C35 H23 B F10 P -","- C70 H46 B2 F20 P2 -","2","1","","Xiaoxi Zhao; Douglas W. Stephan","Correction to Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2012","134","","744","744","10.1021/ja210776r","","","0.71073","MoKα","","0.0529","0.0413","","","0.1145","0.1229","","","","","","1.032","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117263","10.2814","0.0007","17.2675","0.0012","18.1328","0.0013","84.142","0.006","82.53","0.006","75.825","0.005","3086.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H40 N O8 P Pd S -","- C29 H40 N O8 P Pd S -","- C116 H160 N4 O32 P4 Pd4 S4 -","4","2","","Tobias Friedberger; Philipp Wucher; Stefan Mecking","Mechanistic Insights into Polar Monomer Insertion Polymerization from Acrylamides","Journal of the American Chemical Society","2012","134","","1010","1018","10.1021/ja207110u","","","0.71073","MoKα","","0.0874","0.0575","","","0.1347","0.1473","","","","","","1.124","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117264","26.5717","0.0017","26.5717","0.0017","26.5717","0.0017","90","","90","","90","","18761","2","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C94 H42 Cl8.5 Fe12.5 N4 O60 -","- C94.26 H42 Cl8.42 Fe12.5 N4.02 O60 -","- C377.04 H168 Cl33.68 Fe50 N16.08 O240 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","1.54178","CuKα","","0.1278","0.0891","","","0.2543","0.2821","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117265","26.4292","0.0011","26.4292","0.0011","26.4292","0.0011","90","","90","","90","","18460.9","1.3","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C101.33 H75.5 Cl2.67 Co12.67 N5.33 O61.75 -","- C101.04 H48.24 Cl2.74 Co12.67 N5.28 O61.7 -","- C404.16 H192.96 Cl10.96 Co50.68 N21.12 O246.8 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.0997","0.0815","","","0.2452","0.2648","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117266","26.5974","0.0018","26.5974","0.0018","26.5974","0.0018","90","","90","","90","","18816","2","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C101.33 H72 Cl3.33 Mn12.67 N5.33 O60 -","- C101.04 H48.24 Cl3.38 Mn12.67 N5.28 O60 -","- C404.16 H192.96 Cl13.52 Mn50.68 N21.12 O240 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.1187","0.0925","","","0.2352","0.2601","","","","","","1.031","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117267","27.478","0.002","27.478","0.002","27.478","0.002","90","","90","","90","","20747","3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 Ni10.71 O81 -","- C72 H24 Ni10.78 O81.36 -","- C288 H96 Ni43.12 O325.44 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","1.54178","CuKα","","0.1329","0.1075","","","0.2816","0.2972","","","","","","1.091","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117268","19.653","0.003","44.127","0.006","14.543","0.002","90","","90","","90","","12612","3","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C108 H36 O91 Zn18.66 -","- C108 H36 O91 Zn18.67 -","- C216 H72 O182 Zn37.34 -","2","0.125","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.1357","0.1241","","","0.3302","0.3413","","","","","","1.061","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117269","29.342","0.004","17.0426","0.0017","34.304","0.003","90","","105.356","0.003","90","","16542","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 Er8 N0 O62 P6 -","- C104 H214 Co6 Er8 O62 P6 -","- C416 H856 Co24 Er32 O248 P24 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1117","0.0887","","","0.1767","0.187","","","","","","1.169","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117270","29.595","0.004","16.662","0.002","33.908","0.004","90","","105.099","0.002","90","","16143","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 N0 O62 P6 Yb8 -","- C104 H214 Co6 O62 P6 Yb8 -","- C416 H856 Co24 O248 P24 Yb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1219","0.1098","","","0.2611","0.2696","","","","","","1.182","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117271","29.5082","0.0018","16.7659","0.001","34.054","0.002","90","","104.913","0.001","90","","16280.1","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 N0 O62 P6 Pr8 -","- C104 H214 Co6 O62 P6 Pr8 -","- C416 H856 Co24 O248 P24 Pr32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1772","0.125","","","0.3021","0.3311","","","","","","1.248","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117272","16.4943","0.0017","23.414","0.002","22.372","0.002","90","","97.078","0.002","90","","8574.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 N3.5 O60 P6 Tb8 -","- C111 H221.5 Co6 N3.5 O60 P6 Tb8 -","- C222 H443 Co12 N7 O120 P12 Tb16 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1112","0.0858","","","0.2081","0.2267","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117273","15.2822","0.0019","19.968","0.003","28.174","0.004","100.14","0.002","102.999","0.002","96.596","0.002","8139","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H191 Co4 Dy6 N3 O50 P6 -","- C123 H191 Co4 Dy6 N3 O50 P6 -","- C246 H382 Co8 Dy12 N6 O100 P12 -","2","1","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1754","0.1266","","","0.2948","0.3222","","","","","","1.147","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117274","21.4188","0.001","17.1961","0.001","14.1214","0.0008","90","","116.911","0.001","90","","4638","0.4","100","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H116 Co4 Gd2 N4 O26 P2 -","- C66 H116 Co4 Gd2 N4 O26 P2 -","- C132 H232 Co8 Gd4 N8 O52 P4 -","2","0.25","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0511","0.0473","","","0.1164","0.1192","","","","","","1.038","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117275","16.5791","0.0012","31.645","0.002","26.1091","0.0019","90","","98.798","0.001","90","","13536.9","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H176 Co8 N6 Nd2 O42 P4 -","- C110 H176 Co8 N6 Nd2 O42 P4 -","- C440 H704 Co32 N24 Nd8 O168 P16 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0858","0.0671","","","0.1563","0.1665","","","","","","1.098","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117276","16.519","0.002","23.373","0.003","22.376","0.003","90","","97.303","0.002","90","","8569.3","1.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 Dy8 N3.5 O60 P6 -","- C111 H222.46 Co6 Dy8 N3.5 O60 P6 -","- C222 H444.92 Co12 Dy16 N7 O120 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1499","0.1027","","","0.265","0.3141","","","","","","1.126","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117277","16.5349","0.0018","23.424","0.003","22.442","0.003","90","","96.906","0.002","90","","8629","1.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 Gd8 N3.5 O60 P6 -","- C111 H221.5 Co6 Gd8 N3.5 O60 P6 -","- C222 H443 Co12 Gd16 N7 O120 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1092","0.0792","","","0.1992","0.227","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117278","16.4875","0.001","31.7246","0.0018","26.0325","0.0016","90","","99.152","0.001","90","","13443.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H176 Co8 Gd2 N6 O42 P4 -","- C108 H176 Co8 Gd2 N6 O42 P4 -","- C432 H704 Co32 Gd8 N24 O168 P16 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0738","0.0535","","","0.1406","0.155","","","","","","1.077","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117279","21.4188","0.001","17.1961","0.001","14.1214","0.0008","90","","116.911","0.001","90","","4638","0.4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H116 Co4 N4 Nd2 O26 P2 -","- C66 H116 Co4 N4 Nd2 O26 P2 -","- C132 H232 Co8 N8 Nd4 O52 P4 -","2","0.25","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0571","0.0499","","","0.1321","0.1376","","","","","","1.084","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117280","16.4893","0.001","23.3904","0.0014","22.4186","0.0014","90","","97.557","0.001","90","","8571.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C108 H222 Co6 Ho8 N2 O63 P6 -","- C108 H223 Co6 Ho8 N2 O63 P6 -","- C216 H446 Co12 Ho16 N4 O126 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1121","0.0659","","","0.1598","0.1866","","","","","","1.048","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117281","13.3959","0.0011","29.13","0.003","18.0769","0.0015","90","","97.55","0.001","90","","6992.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H174 Co4 N2 O46 P6 Tb6 -","- C116 H174 Co4 N2 O46 P6 Tb6 -","- C232 H348 Co8 N4 O92 P12 Tb12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0735","0.0644","","","0.1536","0.1582","","","","","","1.197","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117282","15.2003","0.0009","19.9855","0.0012","27.9447","0.0017","100.121","0.001","102.718","0.001","95.914","0.001","8062.8","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C125 H194 Co4 N4 O50 P6 Y6 -","- C125 H194 Co4 N4 O50 P6 Y6 -","- C250 H388 Co8 N8 O100 P12 Y12 -","2","1","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.2273","0.1091","","","0.278","0.3437","","","","","","1.085","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117283","35.3738","0.0017","20.4284","0.0009","24.9837","0.0012","90","","101.638","0.001","90","","17682.8","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 N4 O73 P8 Yb8 -","- C112 H222 Co8 N4 O73 P8 Yb8 -","- C448 H888 Co32 N16 O292 P32 Yb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1061","0.0749","","","0.1789","0.2031","","","","","","1.044","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117284","35.477","0.007","20.541","0.005","25.02","0.006","90","","101.427","0.009","90","","17871","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H224 Co8 N4 O74 P8 Y8 -","- C112 H224 Co8 N4 O74 P8 Y8 -","- C448 H896 Co32 N16 O296 P32 Y32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.179","0.1116","","","0.2271","0.2824","","","","","","1.104","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117285","35.5222","0.0017","20.7264","0.0011","25.0267","0.0012","90","","102.029","0.001","90","","18021.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 N4 O73 P8 Tb8 -","- C112 H222 Co8 N4 O73 P8 Tb8 -","- C448 H888 Co32 N16 O292 P32 Tb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1357","0.1003","","","0.2398","0.2754","","","","","","1.051","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117286","35.6135","0.0018","20.6435","0.001","24.9843","0.0012","90","","101.546","0.001","90","","17996.4","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H220 Co8 Dy8 N4 O72 P8 -","- C112 H220 Co8 Dy8 N4 O72 P8 -","- C448 H880 Co32 Dy32 N16 O288 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1642","0.0962","","","0.191","0.2301","","","","","","1.089","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117287","35.5392","0.0015","20.4949","0.0008","25.0246","0.001","90","","100.996","0.001","90","","17892.6","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Er8 N4 O73 P8 -","- C112 H222 Co8 Er8 N4 O73 P8 -","- C448 H888 Co32 Er32 N16 O292 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.101","0.0595","","","0.1508","0.1853","","","","","","1.025","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117288","35.466","0.003","20.601","0.002","24.959","0.002","90","","101.842","0.002","90","","17848","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Ho8 N4 O73 P8 -","- C112 H222 Co8 Ho8 N4 O73 P8 -","- C448 H888 Co32 Ho32 N16 O292 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1163","0.0854","","","0.199","0.2272","","","","","","1.024","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117289","28.476","0.006","16.345","0.003","29.076","0.006","90","","117.13","0.03","90","","12044","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73.4 H149.6 Bi7.6 K4 La N9.4 O24 Sn6.1 -","- C73.4 H146.8 Bi7.6 K4 La N9.4 O24 Sn6.1 -","- C293.6 H587.2 Bi30.4 K16 La4 N37.6 O96 Sn24.4 -","4","1","","Felicitas Lips; Małgorzata Hołyńska; Rodolphe Clérac; Uwe Linne; Inga Schellenberg; Rainer Pöttgen; Florian Weigend; Stefanie Dehnen","Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn7Bi7]4- and [Ln@Sn4Bi9]4- (Ln = La, Ce) with Adjustable Magnetic Properties","Journal of the American Chemical Society","2012","134","","1181","1191","10.1021/ja209226b","","","0.71073","MoKα","","0.1141","0.0826","","","0.2225","0.2537","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117290","28.489","0.006","16.305","0.003","29.025","0.006","90","","118.34","0.03","90","","11867","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73.4 H145.5 Bi8.22 Ce K4 N9.4 O24 Sn5.17 -","- C73.4 H144.8 Bi8.23 Ce K4 N9.4 O24 Sn5.18 -","- C293.6 H579.2 Bi32.92 Ce4 K16 N37.6 O96 Sn20.72 -","4","1","","Felicitas Lips; Małgorzata Hołyńska; Rodolphe Clérac; Uwe Linne; Inga Schellenberg; Rainer Pöttgen; Florian Weigend; Stefanie Dehnen","Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn7Bi7]4- and [Ln@Sn4Bi9]4- (Ln = La, Ce) with Adjustable Magnetic Properties","Journal of the American Chemical Society","2012","134","","1181","1191","10.1021/ja209226b","","","0.71073","MoKα","","0.123","0.0759","","","0.1867","0.2247","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117291","15.4962","0.0007","15.4962","0.0007","13.7523","0.0012","90","","90","","90","","3302.4","0.4","296","2","296","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C9 H4 N12 Zn -","- C9 H4 N12 Zn -","- C36 H16 N48 Zn4 -","4","0.25","","Qipu Lin; Tao Wu; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Single-Walled Polytetrazolate Metal-Organic Channels with High Density of Open Nitrogen-Donor Sites and Gas Uptake","Journal of the American Chemical Society","2012","134","","784","787","10.1021/ja2092882","","","0.71073","MoKα","","0.0631","0.0372","","","0.0816","0.0847","","","","","","1.062","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117292","13.4239","0.0007","13.4239","0.0007","13.4239","0.0007","90","","90","","90","","2419","0.2","93","2","93","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H39 N O U -","- C27 H39 N O U -","- C108 H156 N4 O4 U4 -","4","0.333333","","Nathan A. Siladke; Katie R. Meihaus; Joseph W. Ziller; Ming Fang; Filipp Furche; Jeffrey R. Long; William J. Evans","Synthesis, Structure, and Magnetism of an f Element Nitrosyl Complex, (C5Me4H)3UNO","Journal of the American Chemical Society","2012","134","","1243","1249","10.1021/ja2096128","","","0.71073","MoKα","","0.0164","0.0158","","","0.0339","0.0342","","","","","","1.098","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117293","13.314","0.0009","26.852","0.0016","15.605","0.0008","90","","118.268","0.004","90","","4913.6","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetrakis[2-(acetylthiomethyl)phenyl]porphyrin","","- C56 H46 N4 O4 S4 -","- C56 H46 N4 O4 S4 -","- C224 H184 N16 O16 S16 -","4","1","","Masanori Sakamoto; Daisuke Tanaka; Hironori Tsunoyama; Tatsuya Tsukuda; Yoshihiro Minagawa; Yutaka Majima; Toshiharu Teranishi","Platonic Hexahedron Composed of Six Organic Faces with an Inscribed Au Cluster","Journal of the American Chemical Society","2012","134","","816","819","10.1021/ja209634g","","","0.7107","MoKα","","0.1285","0.0688","","","0.1656","0.1973","","","","","","1.054","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117294","17.1599","0.0008","17.1599","0.0008","9.3979","0.0004","90","","90","","90","","2767.3","0.2","150","0.1","150","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","1,6,11,16-Tetrakis[2-(acethylthioethyl)phenyl]porphyrine","","- C62 H57 N5 O4 S4 -","- C60.5 H57 N4.25 O4 S4 -","- C121 H114 N8.5 O8 S8 -","2","0.25","","Masanori Sakamoto; Daisuke Tanaka; Hironori Tsunoyama; Tatsuya Tsukuda; Yoshihiro Minagawa; Yutaka Majima; Toshiharu Teranishi","Platonic Hexahedron Composed of Six Organic Faces with an Inscribed Au Cluster","Journal of the American Chemical Society","2012","134","","816","819","10.1021/ja209634g","","","0.71073","MoKα","","0.0647","0.0458","","","0.1124","0.1244","","","","","","0.978","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117295","28.9318","0.0004","28.9318","0.0004","10.3646","0.0003","90","","90","","90","","8675.7","0.3","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C134 H125 Cd7 Cl5 N18 O40.5 -","- C134 H125 Cd7 Cl5 N18 O40.52 -","- C268 H250 Cd14 Cl10 N36 O81.04 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.0787","0.064","","","0.1574","0.1648","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117296","28.505","0.0017","28.505","0.0017","10.3718","0.0007","90","","90","","90","","8427.5","0.9","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C108 H78 Cl5 Mn7 N8 O35 -","- C108 H78 Cl5 Mn7 N8 O35.04 -","- C216 H156 Cl10 Mn14 N16 O70.08 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.0874","0.0685","","","0.1902","0.2012","","","","","","1.029","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117297","29.2846","0.0009","29.2846","0.0009","9.9941","0.0004","90","","90","","90","","8570.8","0.5","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C104 H64 Cd2 Cl4 Cu5 N8 O26.5 -","- C104 H64 Cd2 Cl4 Cu5 N8 O26.5 -","- C208 H128 Cd4 Cl8 Cu10 N16 O53 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.1211","0.0688","","","0.1403","0.1508","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117298","10.5512","0.0009","12.6165","0.001","13.158","0.0014","109.582","0.002","103.7","0.003","105.063","0.0009","1489.1","0.2","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H36 Cl3 Ir O P -","- C27.5 H36 Cl3 Ir O P -","- C55 H72 Cl6 Ir2 O2 P2 -","2","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Aroyl Chlorides and Aliphatic Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2012","134","","1268","1274","10.1021/ja209679c","","","0.7107","MoKα","","","0.0521","","","","0.1414","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117299","6.157","0.002","18.186","0.007","16.126","0.006","90","","90.867","0.005","90","","1805.4","1.1","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl O -","- C22 H23 Cl O -","- C88 H92 Cl4 O4 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Aroyl Chlorides and Aliphatic Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2012","134","","1268","1274","10.1021/ja209679c","","","0.7107","MoKα","","","0.0556","","","","0.1724","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117300","20.15","0.004","15.922","0.003","33.605","0.007","90","","90.57","0.03","90","","10781","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H46.5 Ag3.5 F7.5 N12 O8.5 S2.5 -","- C45 H46.5 Ag3.5 F7.5 N12 O8.5 S2.5 -","- C360 H372 Ag28 F60 N96 O68 S20 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.0645","0.0608","","","0.1615","0.1647","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117301","18.163","0.004","29.225","0.006","19.868","0.004","90","","98.3","0.03","90","","10436","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Ag4 F9 N12 O9.5 S3 -","- C41 H36 Ag4 F9 N12 O9.5 S3 -","- C328 H288 Ag32 F72 N96 O76 S24 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.1316","0.1179","","","0.2836","0.2949","","","","","","1.236","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117302","13.612","0.003","38.593","0.008","17.636","0.004","90","","97.5","0.03","90","","9185","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C77.32 H72 Ag5.29 F9.95 N24 O10.95 S3.32 -","- C77.317 H72 Ag5.291 F9.957 N24 O10.957 S3.317 -","- C309.268 H288 Ag21.164 F39.828 N96 O43.828 S13.268 -","4","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.1334","0.1143","","","0.272","0.2852","","","","","","1.193","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117303","13.5874","0.0003","6.739","0.0001","10.2833","0.0002","90","","90","","90","","941.6","0.03","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 H12 Ce2 O18 -","- C12 H12 Ce2 O18 -","- C24 H24 Ce4 O36 -","2","0.25","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0198","0.0174","","","0.0429","0.0441","","","","","","1.115","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117304","11.531","0.0003","11.531","0.0003","6.8198","0.0002","90","","90","","120","","785.3","0.04","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C12 H0 O31 U3 -","- C12 O30.9998 U3 -","- C12 O30.9998 U3 -","1","0.0833333","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71069","MoKα","","0.0478","0.045","","","0.0788","0.0792","","","","5.57","5.57","5.46","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4117305","15.5887","0.0005","11.6182","0.0003","13.1134","0.0003","90","","90","","90","","2375","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Ce O22.5 U2 -","- C12 Ce O22.5 U2 -","- C48 Ce4 O90 U8 -","4","0.5","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0289","0.0253","","","0.0717","0.0814","","","","","","1.258","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117306","15.578","0.003","11.628","0.002","13.065","0.003","90","","90","","90","","2366.6","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Nd O22.5 U2 -","- C12 Nd O22.5 U2 -","- C48 Nd4 O90 U8 -","4","0.5","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0337","0.0291","","","0.0793","0.0907","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117307","14.745","0.003","13.978","0.003","27.529","0.006","90","","95.71","0.03","90","","5646","2","148","2","148","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H65 Cl N4 O16 S -","- C52 H65 Cl N4 O17 S -","- C208 H260 Cl4 N16 O68 S4 -","4","2","","Jian Xie; Akinori Okano; Joshua G. Pierce; Robert C. James; Simon Stamm; Christine M. Crane; Dale L. Boger","Total Synthesis of [Ψ[C(=S)NH]Tpg4]Vancomycin Aglycon, [Ψ[C(=NH)NH]Tpg4]Vancomycin Aglycon, and Related Key Compounds: Reengineering Vancomycin for Dual d-Ala-d-Ala and d-Ala-d-Lac Binding","Journal of the American Chemical Society","2012","134","","1284","1297","10.1021/ja209937s","","","0.71073","MoKα","","0.1059","0.0853","","","0.213","0.2284","","","","","","1.11","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117308","6.4186","0.0016","7.4571","0.0017","12.041","0.003","90.538","0.019","96.938","0.019","103.547","0.019","555.8","0.2","293.1","","293","","","","100","","","","","4","P -1","-P 1","2","","","","- C18 H12 Ni S12 -","- C18 H12 Ni1.03 S12 -","- C18 H12 Ni1.03 S12 -","1","0.5","","Yuki Idobata; Biao Zhou; Akiko Kobayashi; Hayao Kobayashi","Molecular Alloy with Diluted Magnetic Moments-Molecular Kondo System","Journal of the American Chemical Society","2012","134","","871","874","10.1021/ja210019y","","","0.7107","MoKα","","","0.0991","","","","0.1678","","","","","","0.947","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117309","19.2247","0.0007","19.2247","0.0007","19.2247","0.0007","90","","90","","90","","7105.2","0.4","293","2","293","2","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C72 H145 B3 Co20 F12 N12 O73 -","- C72 H120 B3 Co20 F12 N12 O72 -","- C144 H240 B6 Co40 F24 N24 O144 -","2","0.0416667","","Liu-Cheng Gui; Xiu-Jian Wang; Qing-Ling Ni; Miao Wang; Fu-Pei Liang; Hua-Hong Zou","Nanospheric [M20(OH)12(maleate)12(Me2NH)12]4+ Clusters (M = Co, Ni) with Oh Symmetry","Journal of the American Chemical Society","2012","134","","852","854","10.1021/ja2100966","","","0.71073","MoKα","","0.0871","0.071","","","0.2271","0.2493","","","","","","1.139","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117310","18.9569","0.0002","18.9569","0.0002","18.9569","0.0002","90","","90","","90","","6812.43","0.12","150","2","293","2","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C72 H127 B3 F12 N12 Ni20 O64 -","- C72 H120 B3 F12 N12 Ni20 O63 -","- C144 H240 B6 F24 N24 Ni40 O126 -","2","0.0416667","","Liu-Cheng Gui; Xiu-Jian Wang; Qing-Ling Ni; Miao Wang; Fu-Pei Liang; Hua-Hong Zou","Nanospheric [M20(OH)12(maleate)12(Me2NH)12]4+ Clusters (M = Co, Ni) with Oh Symmetry","Journal of the American Chemical Society","2012","134","","852","854","10.1021/ja2100966","","","1.54178","CuKα","","0.1137","0.0985","","","0.3163","0.3326","","","","","","1.017","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117311","13.3663","0.0009","14.6427","0.001","14.7977","0.001","79.809","0.001","70.191","0.001","73.345","0.001","2600.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ru(3b-H)(PNNP)](PF6)","","","- C53 H49 Cl4 F6 N2 O3 P3 Ru -","- C53 H49 Cl4 F6 N2 O3 P3 Ru -","- C106 H98 Cl8 F12 N4 O6 P6 Ru2 -","2","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.0544","0.044","","","0.099","0.1043","","","","","","1.032","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117312","10.4554","0.0014","14.35","0.002","35.366","0.005","90","","95.133","0.003","90","","5284.9","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ru(3b-H)(PNNP)](PF6) (minor) (5c)","","","- C53 H51 Cl5 F6 N2 O3 P3 Ru -","- C52.75 H50.75 Cl5.25 F6 N2 O3 P3 Ru -","- C211 H203 Cl21 F24 N8 O12 P12 Ru4 -","4","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.1043","0.0818","","","0.1602","0.1692","","","","","","1.184","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117313","11.511","0.0007","13.8903","0.0008","20.6616","0.0012","96.886","0.001","93.755","0.001","113.085","0.001","2994.2","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","[Ru(6a)(PNNP)](PF6)2","","","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C112 H116 Cl8 F24 N4 O6 P8 Ru2 -","2","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.0559","0.0504","","","0.129","0.1337","","","","","","1.021","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117314","10.086","0.002","11.779","0.002","17.97","0.003","85.97","0.02","73.83","0.02","66.45","0.02","1877.6","0.7","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 Li4 O4 S4 -","- C32 H52 Li4 O4 S4 -","- C64 H104 Li8 O8 S8 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.062","0.0429","","","0.1055","0.1163","","","","","","1.066","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117315","9.303","0.002","9.531","0.003","14.945","0.002","97.29","0.02","97.15","0.02","98.03","0.02","1287.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Li2 O4 S2 -","- C24 H38 Li2 O4 S2 -","- C48 H76 Li4 O8 S4 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.041","0.0362","","","0.0916","0.0943","","","","","","1.048","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117316","8.625","0.002","10.471","0.002","12.749","0.002","76.66","0.02","81.73","0.02","67.47","0.02","1032.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C16 H26 Li2 O4 S2 -","- C16 H26 Li2 O4 S2 -","- C32 H52 Li4 O8 S4 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.0538","0.0421","","","0.1108","0.1184","","","","","","1.045","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117317","8.466","0.002","15.573","0.003","12.226","0.002","90","","93.36","0.02","90","","1609.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Li N3 S -","- C13 H26 Li N3 S -","- C52 H104 Li4 N12 S4 -","4","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.0467","0.0332","","","0.0814","0.0863","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117318","43.839","0.009","12.063","0.003","27.251","0.006","90","","100.738","0.003","90","","14159","6","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H111.5 F3.5 N2 O3 S Si12 -","- C49.5 H107 F3.5 N2 O3 S Si12 -","- C396 H856 F28 N16 O24 S8 Si96 -","8","1","","Torahiko Yamaguchi; Matthew Asay; Akira Sekiguchi","[[(Me3Si)2CH]2iPrSi(NHC)Si=Si(Me)SiiPr[CH(SiMe3)2]2]+: A Molecule with Disilenyl Cation Character","Journal of the American Chemical Society","2012","134","","886","889","10.1021/ja210669n","","","0.71073","MoKα","","0.1511","0.0636","","","0.1362","0.1794","","","","","","0.967","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117319","5.6703","0.0004","20.4999","0.0013","23.5934","0.0016","90","","90","","90","","2742.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O12 -","- C27 H36 N2 O12 -","- C108 H144 N8 O48 -","4","1","","Akihiko Yamamoto; Atsushi Ueda; Paul Brémond; Paolo S. Tiseni; Yoshito Kishi","Total Synthesis of Halichondrin C","Journal of the American Chemical Society","2012","134","","893","896","10.1021/ja2108307","","","1.54178","CuKα","","0.0562","0.041","","","0.0952","0.1042","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117320","6.9538","0.0002","14.2273","0.0004","35.8922","0.0008","90","","90","","90","","3550.95","0.16","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C152 H160 I8 N8 O8 -","8","2","","Seiji Shirakawa; Kun Liu; Keiji Maruoka","Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations","Journal of the American Chemical Society","2012","134","","916","919","10.1021/ja211069f","","","1.54187","CuKα","","","0.0529","","","","0.1455","","","","","","0.836","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117321","16.2335","0.0003","20.7081","0.0004","18.2329","0.0004","90","","98.435","0.007","90","","6063","0.2","153","","153","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C61 H51 F12 I N2 O -","- C61 H51 F12 I N2 O -","- C244 H204 F48 I4 N8 O4 -","4","1","","Seiji Shirakawa; Kun Liu; Keiji Maruoka","Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations","Journal of the American Chemical Society","2012","134","","916","919","10.1021/ja211069f","","","1.54187","CuKα","","","0.1197","","","","0.3059","","","","","","0.967","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117322","12.992","0.002","8.1737","0.0013","18.325","0.003","90","","100.929","0.003","90","","1910.7","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C80 H100 F12 O12 -","4","2","","Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li","Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart","Journal of the American Chemical Society","2012","134","","920","923","10.1021/ja211444m","","","0.71073","MoKα","","0.0814","0.0476","","","0.1112","0.1326","","","","","","1.027","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117323","10.0249","0.0008","17.349","0.0014","11.815","0.001","90","","95.166","0.002","90","","2046.5","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O5 -","- C22 H31 N O5 -","- C88 H124 N4 O20 -","4","2","","Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li","Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart","Journal of the American Chemical Society","2012","134","","920","923","10.1021/ja211444m","","","0.71073","MoKα","","0.0414","0.035","","","0.0973","0.1049","","","","","","1.064","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117324","11.5249","0.0003","17.7132","0.0005","18.2114","0.0005","65.7496","0.0016","86.9628","0.0017","77.0815","0.0015","3300.72","0.16","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C80 H62 Cl2 N4 -","- C68 H52 N4 -","- C136 H104 N8 -","2","1","","Derik K. Frantz; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Molecular Spur Gears Comprising Triptycene Rotators and Bibenzimidazole-Based Stators","Journal of the American Chemical Society","2012","134","","1528","1535","10.1021/ja2063346","","","0.71073","MoKα","","0.1116","0.0788","","","0.2331","0.2575","","","","","","1.049","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117325","13.829","0.003","15.179","0.004","8.489","0.002","90","","90.322","0.004","90","","1781.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 O4 Pb S4 -","- C14 H16 O4 Pb S4 -","- C56 H64 O16 Pb4 S16 -","4","0.5","","Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu","White Light Emission and Second Harmonic Generation from Secondary Group Participation (SGP) in a Coordination Network","Journal of the American Chemical Society","2012","134","","1553","1559","10.1021/ja2073559","","","0.71073","MoKα","","0.047","0.0432","","","0.1116","0.1135","","","","","","1.153","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117326","9.4828","0.0011","16.6237","0.0019","10.352","0.0012","90","","101.619","0.002","90","","1598.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 O6 Pb S2 -","- C14 H16 O6 Pb S2 -","- C56 H64 O24 Pb4 S8 -","4","2","","Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu","White Light Emission and Second Harmonic Generation from Secondary Group Participation (SGP) in a Coordination Network","Journal of the American Chemical Society","2012","134","","1553","1559","10.1021/ja2073559","","","0.71073","MoKα","","0.0383","0.0322","","","0.0512","0.0545","","","","","","0.874","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117327","47.632","0.01","11.154","0.002","14.125","0.003","90","","90","","90","","7504","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H36 Cl2 N2 O4 Pd2 -","- C41 H36 Cl2 N2 O4 Pd2 -","- C328 H288 Cl16 N16 O32 Pd16 -","8","2","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","0.71073","MoKα","","0.0878","0.0646","","","0.1514","0.166","","","","","","1.055","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117328","9.5821","0.0005","8.8103","0.0006","19.6995","0.0011","90","","91.119","0.004","90","","1662.74","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-43","","","- C36 H28 Cl2 N2 Pd2 -","- C36 H28 Cl2 N2 Pd2 -","- C72 H56 Cl4 N4 Pd4 -","2","0.5","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","1.54178","CuKα","","0.0405","0.0332","","","0.082","0.085","","","","","","0.994","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117329","8.8002","0.0012","13.2695","0.0019","8.9052","0.0013","90","","113.995","0.005","90","","950","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-41","","","- C24 H27 Cl0 N -","- C24 H27 N -","- C48 H54 N2 -","2","1","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","1.54178","CuKα","","0.0322","0.0307","","","0.0744","0.0756","","","","","","1.08","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117330","22.217","0.008","25.49","0.009","37.77","0.015","75.41","0.02","85.28","0.02","83.71","0.02","20542","13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- As6 H240 K3.5 Mo18 Na32.5 O336 S18 W54 -","- As6 Mo18 Na8.25 O261 S18 W54 -","- As12 Mo36 Na16.5 O522 S36 W108 -","2","1","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1535","0.0731","","","0.1937","0.2562","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117331","39.7619","0.0008","37.8141","0.001","25.0128","0.0005","90","","90","","90","","37608.3","1.5","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- As6 H392 K Li35 Mo18 O412 S18 W54 -","- As6 Li6 Mo18 O309 S18 W54 -","- As24 Li24 Mo72 O1236 S72 W216 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1113","0.0551","","","0.1506","0.2065","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117332","21.112","0.0009","44.991","0.0017","38.4158","0.0013","90","","96.196","0.002","90","","36276","2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- As6 H192 K34.5 Mo18 Na1.5 O312 S18 W54 -","- As6 K28.5 Mo18 O278.38 S18 W54 -","- As24 K114 Mo72 O1113.52 S72 W216 -","4","1","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.0775","0.0445","","","0.1235","0.1521","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117333","47.4379","0.001","18.6347","0.0003","36.2086","0.0007","90","","127.567","0.001","90","","25370.9","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- As4 H214 Li10 Mo12 O246 Rb14 S12 W36 -","- As4 Mo12 O183.4 Rb9.9 S12 W36 -","- As16 Mo48 O733.6 Rb39.6 S48 W144 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1008","0.0588","","","0.1731","0.2178","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117334","47.2304","0.0005","18.6529","0.0003","36.3782","0.0001","90","","126.753","0.001","90","","25678.1","0.6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- As4 Cs15 H128 Li9 Mo12 O208 S12 W36 -","- As4 Cs12.9 Mo12 O165 S12 W36 -","- As16 Cs51.6 Mo48 O660 S48 W144 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1091","0.059","","","0.1605","0.1797","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117335","22.818","0.003","22.818","0.003","21.265","0.004","90","","90","","120","","9589","3","296","2","296","2","","","","","","","","8","P -6 2 m","P -6 -2","189","","","","- As2 Cs9 H74 Li3 Mo6 O109 S6 W18 -","- As2 Cs7 Li1.5 Mo6 O79.5 S6 W18 -","- As4 Cs14 Li3 Mo12 O159 S12 W36 -","2","0.166667","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.0939","0.0531","","","0.1399","0.2021","","","","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117336","8.117","0.015","8.117","0.015","7.531","0.014","90","","90","","120","","429.7","1.4","150","2","150","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","nickel(II) hydrazine nitrate","","","- H12 N8 Ni O6 -","- H12 N8 Ni O6 -","- H24 N16 Ni2 O12 -","2","0.166667","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.0549","0.047","","","0.1185","0.1253","","","","","","1.089","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117337","5.1719","0.0003","16.3158","0.0011","8.5974","0.0006","90","","100.738","0.001","90","","712.78","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cobalt(II) hydrazine perchlorate","","","- Cl2 Co H20 N10 O8 -","- Cl2 Co H20 N10 O8 -","- Cl4 Co2 H40 N20 O16 -","2","0.5","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.025","0.0216","","","0.0521","0.0536","","","","","","1.063","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117338","5.1131","0.0005","16.2669","0.0015","8.5573","0.0008","90","","100.487","0.001","90","","699.86","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel(II) hydrazine perchlorate","","","- Cl2 H20 N10 Ni O8 -","- Cl2 H20 N10 Ni O8 -","- Cl4 H40 N20 Ni2 O16 -","2","0.5","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.0207","0.0195","","","0.0484","0.0491","","","","","","1.049","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117339","9.11","0.009","16.152","0.015","24.27","0.02","90","","90","","90","","3571","6","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 Cl F6 N2 P2 Rh Sb -","- C30 H49 Cl F6 N2 P2 Rh Sb -","- C120 H196 Cl4 F24 N8 P8 Rh4 Sb4 -","4","1","","Tsuneo Imamoto; Ken Tamura; Zhenfeng Zhang; Yumi Horiuchi; Masashi Sugiya; Kazuhiro Yoshida; Akira Yanagisawa; Ilya D. Gridnev","Rigid P-Chiral Phosphine Ligands with tert-Butylmethylphosphino Groups for Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Alkenes","Journal of the American Chemical Society","2012","134","","1754","1769","10.1021/ja209700j","","","0.71073","MoKα","","0.0552","0.0386","","","0.0497","0.0531","","","","","","1.154","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117340","10.5466","0.0012","18.26","0.002","19.653","0.002","85.338","0.003","76.63","0.003","77.25","0.004","3589.6","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H91 N7 O9 -","- C84 H91 N7 O9 -","- C168 H182 N14 O18 -","2","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71073","MoKα","","0.1424","0.0867","","","0.1522","0.1743","","","","","","1.102","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117341","15.832","0.002","34.502","0.004","15.103","0.002","90","","90.1","0.004","90","","8249.8","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H72 Cl Cs N4 O12 -","- C80 H82 Cl4 Cs N4 O11 -","- C320 H328 Cl16 Cs4 N16 O44 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71069","MoKα","","0.0968","0.088","","","0.2307","0.2425","","","","","","1.468","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117342","19.4783","0.0006","11.2499","0.0003","34.8595","0.001","90","","103.196","0.002","90","","7437","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H102 Cs N5 O13 -","- C80 H87 Cs N5 O13 -","- C320 H348 Cs4 N20 O52 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71074","MoKα","","0.082","0.0572","","","0.1586","0.1682","","","","","","1.078","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117343","15.839","0.002","14.841","0.002","35.024","0.004","90","","93.29","0.004","90","","8219.4","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81.5 H91 Cl3 K N5 O13 -","- C81.5 H88 Cl3 K N5 O13 -","- C326 H352 Cl12 K4 N20 O52 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71074","MoKα","","0.3493","0.1751","","","0.3201","0.3622","","","","","","1.699","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117344","36.258","0.003","36.258","0.003","27.251","0.002","90","","90","","90","","35825","5","100","2","100","2","","","","","","","","5","I -4 2 m","I -4 2","121","U1U2840R","","","- K50.93 N16 Na0 O364 U68.49 -","- K50.96 N16 O364 U68.495 -","- K101.92 N32 O728 U136.99 -","2","0.125","","Jie Qiu; Jie Ling; Audrey Sui; Jennifer E. S. Szymanowski; Antonio Simonetti; Peter C. Burns","Time-Resolved Self-Assembly of a Fullerene-Topology Core-Shell Cluster Containing 68 Uranyl Polyhedra","Journal of the American Chemical Society","2012","134","","1810","1816","10.1021/ja210163b","","","0.71073","MoKα","","0.1301","0.0769","","","0.1957","0.2511","","","","","","1.177","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117345","14.484","0.003","32.495","0.007","22.293","0.005","90","","99.43","0.03","90","","10351","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H115 Cl3 F12 N8 O19 P2 -","- C95 H115 Cl3 F12 N8 O19 P2 -","- C380 H460 Cl12 F48 N32 O76 P8 -","4","1","","Wei Jiang; Karol Nowosinski; Nora L. Löw; Egor V. Dzyuba; Fabian Klautzsch; Andreas Schäfer; Juhani Huuskonen; Kari Rissanen; Christoph A. Schalley","Chelate Cooperativity and Spacer Length Effects on the Assembly Thermodynamics and Kinetics of Divalent Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","1860","1868","10.1021/ja2107096","","","1.54178","CuKα","","0.1933","0.1132","","","0.3079","0.3648","","","","","","1.149","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117346","7.378","0.0015","11.193","0.002","41.95","0.008","90","","90.21","0.03","90","","3464.3","1.1","373","2","373","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","4","","Allan, Kevin M.; Kobayashi, Kenichi; Rawal, Viresh H.","A Unified Route to the Welwitindolinone Alkaloids: Total Syntheses of (-)-N-Methylwelwitindolinone C Isothiocyanate, (-)-N-Methylwelwitindolinone C Isonitrile, and (-)-3-Hydroxy-N-methylwelwitindolinone C Isothiocyanate","Journal of the American Chemical Society","2012","134","3","1392","1395","10.1021/ja210793x","","","0.71073","MoKα","","0.1265","0.0638","","","0.097","0.1149","","","","","","0.771","","","","has coordinates","219251","2020-10-21","18:00:00",""
"4117347","9.482","0.002","20.878","0.005","11.974","0.002","90","","121.67","0.014","90","","2017.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N2 O3 S -","- C22 H21 Cl N2 O3 S -","- C88 H84 Cl4 N8 O12 S4 -","4","1","","Allan, Kevin M.; Kobayashi, Kenichi; Rawal, Viresh H.","A Unified Route to the Welwitindolinone Alkaloids: Total Syntheses of (-)-N-Methylwelwitindolinone C Isothiocyanate, (-)-N-Methylwelwitindolinone C Isonitrile, and (-)-3-Hydroxy-N-methylwelwitindolinone C Isothiocyanate","Journal of the American Chemical Society","2012","134","3","1392","1395","10.1021/ja210793x","","","0.71073","MoKα","","0.1151","0.0582","","","0.1051","0.118","","","","","","0.796","","","","has coordinates","219251","2020-10-21","18:00:00",""
"4117348","8.6672","0.0005","11.6307","0.0012","40.054","0.005","90","","93.283","0.009","90","","4031","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 N4 O V -","- C48 H57 N4 O V -","- C192 H228 N16 O4 V4 -","4","1","","Alexander G. Tskhovrebov; Euro Solari; Matthew D. Wodrich; Rosario Scopelliti; Kay Severin","Sequential N-O and N-N Bond Cleavage of N-Heterocyclic Carbene-Activated Nitrous Oxide with a Vanadium Complex","Journal of the American Chemical Society","2012","134","","1471","1473","10.1021/ja210976a","","","0.71073","MoKα","","0.0862","0.0768","","","0.165","0.1702","","","","","","1.169","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117349","10.984","0.003","11.655","0.004","18.774","0.008","85.57","0.03","79.28","0.03","62.45","0.03","2093.6","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 N4 O V -","- C48 H57 N4 O V -","- C96 H114 N8 O2 V2 -","2","1","","Alexander G. Tskhovrebov; Euro Solari; Matthew D. Wodrich; Rosario Scopelliti; Kay Severin","Sequential N-O and N-N Bond Cleavage of N-Heterocyclic Carbene-Activated Nitrous Oxide with a Vanadium Complex","Journal of the American Chemical Society","2012","134","","1471","1473","10.1021/ja210976a","","","0.71073","MoKα","","0.1421","0.0683","","","0.1002","0.1205","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117350","5.8691","0.0002","11.2351","0.0004","14.3074","0.0005","90","","97.202","0.002","90","","935.99","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 S -","- C21 H24 O3 S -","- C42 H48 O6 S2 -","2","1","","Barry M. Trost; Aaron C. Burns; Mark J. Bartlett; Thomas Tautz; Andrew H. Weiss","Thionium Ion Initiated Medium-Sized Ring Formation: The Total Synthesis of Asteriscunolide D","Journal of the American Chemical Society","2012","134","","1474","1477","10.1021/ja210986f","","","1.54178","CuKα","","0.0364","0.0347","","","0.087","0.0883","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117351","10.842","0.0004","22.6464","0.0007","14.5229","0.0005","90","","98.322","0.002","90","","3528.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H102 N4 Ni2 O2 -","- C82 H102 N4 Ni2 O2 -","- C164 H204 N8 Ni4 O4 -","2","0.5","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.0909","0.0628","","","0.0754","0.0759","","","","","","3.87","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117352","17.1455","0.001","18.0109","0.001","23.4009","0.0013","70.258","0.003","72.094","0.003","84.191","0.003","6472.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H92 N4 Ni2 O2 -","- C70.5 H92 N4 Ni2 O2 -","- C282 H368 N16 Ni8 O8 -","4","2","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.1363","0.0558","","","0.0618","0.0655","","","","","","1.277","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117353","9.7952","0.0005","22.8485","0.0013","14.6159","0.0007","90","","96.415","0.003","90","","3250.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H102 N4 Ni2 O2 -","- C68 H102 N4 Ni2 O2 -","- C136 H204 N8 Ni4 O4 -","2","0.5","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.155","0.0705","","","0.0872","0.0917","","","","","","2.064","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117354","13.046","0.003","13.991","0.003","16.446","0.003","90","","90","","90","","3001.8","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","complex 5","","- C32 H32 F6 N2 Rh Sb -","- C32 H32 F6 N2 Rh Sb -","- C128 H128 F24 N8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0215","0.0198","","","0.0453","0.0468","","","","","","1.08","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117355","18.4587","0.0008","10.7989","0.0005","17.594","0.0009","90","","103.395","0.002","90","","3411.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","complex 4a","complex 4a","","- C35 H36 F6 N2 O2 Rh S Sb -","- C35 H36 F6 N2 O2 Rh S Sb -","- C140 H144 F24 N8 O8 Rh4 S4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0643","0.0374","","","0.0608","0.0686","","","","","","1.013","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117356","20.9479","0.0015","10.8946","0.0003","17.4188","0.0004","90","","110.357","0.008","90","","3727","0.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","complex 4c","","","- C34 H37 F9 N2 O2 Rh Sb -","- C34 H37 F9 N2 O2 Rh Sb -","- C136 H148 F36 N8 O8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","1.54187","CuKα","","","0.0922","","","","0.2446","","","","","","1.035","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117357","18.8446","0.0009","9.9469","0.0004","19.9152","0.0009","90","","100.066","0.001","90","","3675.5","0.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","complex 4d","complex 4d","","- C33 H38 Cl2 F6 N2 O2 Rh Sb -","- C33 H38 Cl2 F6 N2 O2 Rh Sb -","- C132 H152 Cl8 F24 N8 O8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0289","0.0225","","","0.0636","0.0681","","","","","","1.059","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117358","4.0541","0.0008","6.6842","0.0013","13.04","0.003","103.999","0.002","97.334","0.002","91.227","0.002","339.56","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H4 F2 N2 -","- C7 H4 F2 N2 -","- C14 H8 F4 N4 -","2","1","","Yuta Fujiwara; Janice A. Dixon; Rodrigo A. Rodriguez; Ryan D. Baxter; Darryl D. Dixon; Michael R. Collins; Donna G. Blackmond; Phil S. Baran","A New Reagent for Direct Difluoromethylation","Journal of the American Chemical Society","2012","134","","1494","1497","10.1021/ja211422g","","","0.71073","MoKα","","0.0527","0.0409","","","0.1142","0.123","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117359","9.2688","0.0003","9.2688","0.0003","88.532","0.003","90","","90","","120","","6586.9","0.4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H18 F12 O18 S6 Zn3 -","- C6 H18 F12 O18 S6 Zn3 -","- C54 H162 F108 O162 S54 Zn27 -","9","0.5","","Yuta Fujiwara; Janice A. Dixon; Rodrigo A. Rodriguez; Ryan D. Baxter; Darryl D. Dixon; Michael R. Collins; Donna G. Blackmond; Phil S. Baran","A New Reagent for Direct Difluoromethylation","Journal of the American Chemical Society","2012","134","","1494","1497","10.1021/ja211422g","","","1.54178","CuKα","","0.1124","0.0935","","","0.2759","0.3022","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117360","6.8101","0.0006","13.0126","0.001","12.828","0.001","90","","93.991","0.002","90","","1134.02","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O6 -","- C24 H25 Br O6 -","- C48 H50 Br2 O12 -","2","1","","Barry M. Trost; Sushant Malhotra; Philipp Koschker; Pascal Ellerbrock","Development of the Enantioselective Addition of Ethyl Diazoacetate to Aldehydes: Asymmetric Synthesis of 1,2-Diols","Journal of the American Chemical Society","2012","134","","2075","2084","10.1021/ja206995s","","","0.71073","MoKα","","0.0514","0.036","","","0.0578","0.0627","","","","","","0.906","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117361","6.9163","0.0003","20.5882","0.0008","9.3847","0.0003","90","","95.402","0.002","90","","1330.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0536","0.0424","","","0.0612","0.0618","","","","","","2.394","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117362","9.8372","0.0004","7.2818","0.0003","11.6037","0.0005","90","","108.626","0.002","90","","787.67","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0564","0.0456","","","0.0767","0.0781","","","","","","1.822","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117363","7.6944","0.0003","9.6777","0.0003","26.3981","0.0009","90","","90","","90","","1965.71","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O6 S4 -","- C18 H16 N2 O6 S4 -","- C72 H64 N8 O24 S16 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0483","0.0433","","","0.0639","0.0642","","","","","","2.797","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117364","20.744","0.004","7.7389","0.0015","12.557","0.003","90","","97.41","0.03","90","","1999","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 N2 O9 -","- C21 H23 N2 O9 -","- C84 H92 N8 O36 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0724","0.0475","","","0.057","0.0586","","","","","","2.523","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117365","8.7348","0.0006","8.7348","0.0006","15.697","0.003","90","","90","","90","","1197.6","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Cs Ga5 Se10 -","- Ba3 Cl2 Cs Ga5 Se10 -","- Ba6 Cl4 Cs2 Ga10 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0242","0.0232","","","0.051","0.0516","","","","","","1.068","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117366","8.6629","0.0004","8.6629","0.0004","15.6379","0.0013","90","","90","","90","","1173.56","0.12","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Ga5 Rb Se10 -","- Ba3 Cl2 Ga5 Rb Se10 -","- Ba6 Cl4 Ga10 Rb2 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0204","0.0194","","","0.0397","0.0399","","","","","","0.983","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117367","8.6341","0.0007","8.6341","0.0007","15.644","0.002","90","","90","","90","","1166.2","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Ga5 K Se10 -","- Ba3 Cl2 Ga5 K Se10 -","- Ba6 Cl4 Ga10 K2 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0275","0.0247","","","0.0442","0.0448","","","","","","0.937","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117368","10.66744","0.00032","7.60223","0.00023","7.40713","0.00022","90","","92.4379","0.0028","90","","600.15","0.03","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 Mn N3 Na O -","- C3 Mn N3 Na O -","- C12 Mn4 N12 Na4 O4 -","4","1","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.697106","synchrotron","","","","","","","","","","1.714","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117369","10.62816","0.00032","7.52341","0.00023","7.38769","0.00022","90","","92.4366","0.0028","90","","590.19","0.03","15","","15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 Mn N3 Na O -","- C3 Mn N3 Na O -","- C12 Mn4 N12 Na4 O4 -","4","1","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.700015","synchrotron","","","","","","","","","","1.863","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117370","6.6166","0.0003","6.6166","0.0003","19.2585","0.0009","90","","90","","120","","730.17","0.06","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C3 Mn N3 Na -","- C3 Mn N3 Na -","- C18 Mn6 N18 Na6 -","6","0.333333","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.699994","synchrotron","","","","","","","","","","1.274","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117371","50.6795","0.0007","50.6795","0.0007","50.6795","0.0007","90","","90","","90","","130166","3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 Mg16 N4 O224 -","- C252 In20.04 Mg15.96 O224 -","- C2016 In160.32 Mg127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1329","0.0938","","","0.2608","0.2811","","","","","","1.018","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117372","50.9199","0.0004","50.9199","0.0004","50.9199","0.0004","90","","90","","90","","132027","1.8","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 Mn16 N4 O224 -","- C252 In20.04 Mn15.96 O224 -","- C2016 In160.32 Mn127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1178","0.08","","","0.218","0.2405","","","","","","1.024","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117373","50.5222","0.0003","50.5222","0.0003","50.5222","0.0003","90","","90","","90","","128958","1.3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 Co16 In20 N4 O224 -","- C252 Co15.96 In20.04 O224 -","- C2016 Co127.68 In160.32 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1027","0.0754","","","0.2266","0.244","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117374","50.5129","0.0003","50.5129","0.0003","50.5129","0.0003","90","","90","","90","","128886","1.3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 N4 Ni16 O224 -","- C252 In20.04 Ni15.96 O224 -","- C2016 In160.32 Ni127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.0948","0.0688","","","0.2007","0.2176","","","","","","1.023","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117375","50.5711","0.0011","50.5711","0.0011","50.5711","0.0011","90","","90","","90","","129332","5","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 Cd16 In20 N4 O224 -","- C252 Cd15.96 In20.04 O231 -","- C2016 Cd127.68 In160.32 O1848 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1319","0.0996","","","0.2661","0.2848","","","","","","1.215","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117376","10.42128","0.00027","14.8998","0.0004","17.5897","0.0005","90","","105.807","0.0013","90","","2627.96","0.12","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C5 F N2 O24 Si12 -","- C4.769 F N2 O24 Si12 -","- C19.076 F4 N8 O96 Si48 -","4","0.5","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117377","10.43748","0.00009","14.80768","0.00015","17.50255","0.00018","90","","106.09","0.0007","90","","2599.15","0.04","295","","","","","","","","","","synthetic","5","I 1 2/m 1","-I 2y","12","","","","- C6 F N2 O24 Si12 -","- C6 F N2 O24 Si12 -","- C24 F4 N8 O96 Si48 -","4","0.5","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","2.06","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117378","10.32658","0.0001","14.9994","0.00013","17.71021","0.00019","90","","105.396","0.0007","90","","2644.74","0.05","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O2 Si -","- O2 Si -","- O96 Si48 -","48","6","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","1.83","","","","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117379","48.779","0.003","3.8228","0.0002","14.2036","0.0009","90","","90","","90","","2648.6","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","ClBBO","","","- C6 Cl N2 O S4 -","- C6 Cl N2 O S4 -","- C72 Cl12 N24 O12 S48 -","12","3","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Robertson, Craig M.; Noll, Bruce C.; Campana, Charles F.; Howard, Judith A. K.; Dube, Paul A.; Oakley, Richard T.","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","4","2264","2275","10.1021/ja209841z","","","1.54178","CuKα","","0.0886","0.0788","","","0.198","0.2043","","","","","","1.059","","","","has coordinates","219253","2020-10-21","18:00:00",""
"4117380","9.4913","0.0003","23.5986","0.0008","5.3124","0.0002","90","","90","","90","","1189.88","0.07","300","2","299.53","","","","","","","","","6","P n a 21","P 2c -2n","33","ClBBO.MeCN","","","- C8 H3 Cl N3 O S4 -","- C8 H3 Cl N3 O S4 -","- C32 H12 Cl4 N12 O4 S16 -","4","1","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Robertson, Craig M.; Noll, Bruce C.; Campana, Charles F.; Howard, Judith A. K.; Dube, Paul A.; Oakley, Richard T.","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","4","2264","2275","10.1021/ja209841z","","","1.54188","CUKα","","0.0227","0.0216","","","0.0561","0.0565","","","","","","1.069","","","","has coordinates","219253","2020-10-21","18:00:00",""
"4117381","14.3729","0.0007","14.3342","0.0007","16.5005","0.0008","90","","90","","90","","3399.5","0.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ClBBO.SbF6.MeCN","","","- C8 H3 Cl F6 N3 O S4 Sb -","- C8 H3 Cl F6 N3 O S4 Sb -","- C64 H24 Cl8 F48 N24 O8 S32 Sb8 -","8","1","","Xin Yu; Aaron Mailman; Kristina Lekin; Abdeljalil Assoud; Craig M. Robertson; Bruce C. Noll; Charles F. Campana; Judith A. K. Howard; Paul A. Dube; Richard T. Oakley","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","","2264","2275","10.1021/ja209841z","","","0.71073","MoKα","","0.0593","0.0458","","","0.0803","0.0863","","","","","","1.263","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4117382","6.04443","0.00018","7.6997","0.0002","12.3317","0.0004","74.488","0.003","85.322","0.003","86.211","0.003","550.59","0.03","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 Cl N O6 -","- C7 H14 Cl N O6 -","- C14 H28 Cl2 N2 O12 -","2","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0334","0.0278","","","0.0709","0.0731","","","","","","1.1","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117383","11.4024","0.0003","12.4341","0.0003","8.0005","0.0003","90","","99.51","0.003","90","","1118.71","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O6 -","- C9 H14 N2 O6 -","- C36 H56 N8 O24 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0471","0.0337","","","0.0795","0.0849","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117384","7.5765","0.0003","7.6395","0.0004","11.1394","0.0003","81.909","0.003","81.289","0.003","63.606","0.004","568.92","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cl N3 O4 -","- C8 H14 Cl N3 O4 -","- C16 H28 Cl2 N6 O8 -","2","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0367","0.0295","","","0.0781","0.0814","","","","","","1.064","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117385","7.7437","0.0003","10.5514","0.0004","15.0891","0.0006","107.325","0.003","97.908","0.003","90.257","0.003","1164.41","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 N4 O5 -","- C9 H14 N4 O5 -","- C36 H56 N16 O20 -","4","2","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0559","0.0369","","","0.0832","0.0895","","","","","","1.035","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117386","5.8807","0.0002","26.272","0.0008","9.134","0.0003","90","","101.419","0.004","90","","1383.25","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0484","0.0376","","","0.0922","0.0966","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117387","11.1127","0.0004","9.1165","0.0002","10.0702","0.0003","90","","104.117","0.003","90","","989.39","0.05","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O4 -","- C8 H13 N3 O4 -","- C32 H52 N12 O16 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0518","0.0399","","","0.1056","0.1123","","","","","","1.058","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117388","9.311","0.003","11.161","0.004","14.008","0.005","90.704","0.004","97.034","0.004","111.539","0.004","1341.3","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H39 P2 Ta -","- C32 H39 P2 Ta -","- C64 H78 P4 Ta2 -","2","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0191","0.0175","","","0.0434","0.0441","","","","","","1.029","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117389","8.8509","0.0009","8.9422","0.0009","13.5025","0.0013","82.255","0.001","79.678","0.001","80.406","0.001","1030.6","0.18","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 Cl2 Ta -","- C22 H23 Cl2 Ta -","- C44 H46 Cl4 Ta2 -","2","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0253","0.0213","","","0.0475","0.0488","","","","","","1.056","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117390","26.135","0.0019","13.3142","0.001","17.0189","0.0013","90","","116.861","0.001","90","","5283.1","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H39 P2 Ta -","- C28 H39 P2 Ta -","- C224 H312 P16 Ta8 -","8","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0819","0.041","","","0.0728","0.0865","","","","","","1.001","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117391","7.8735","0.0009","8.7919","0.001","37.038","0.004","88.55","0.002","88.722","0.002","89.755","0.002","2562.4","0.5","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Br0.66 Cl0.34 Mg O2 -","- C28 H33 Br0.656 Cl0.344 Mg O2 -","- C112 H132 Br2.624 Cl1.376 Mg4 O8 -","4","2","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.1009","0.0555","","","0.1159","0.1309","","","","","","1.015","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117392","7.5927","0.0005","19.6428","0.0013","21.5544","0.0014","90","","90","","90","","3214.7","0.4","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 I -","- C20 H17 I -","- C160 H136 I8 -","8","2","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0287","0.0247","","","0.0557","0.0575","","","","","","1.037","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117393","7.0053","0.0008","18.055","0.002","16.2693","0.0018","90","","91.585","0.002","90","","2057","0.4","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl Ta -","- C23 H26 Cl Ta -","- C92 H104 Cl4 Ta4 -","4","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0535","0.0322","","","0.063","0.0698","","","","","","1.027","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117394","26.179","0.003","13.3008","0.0015","16.988","0.002","90","","117.349","0.002","90","","5254.1","1.1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Cl P2 Ta -","- C27 H36 Cl P2 Ta -","- C216 H288 Cl8 P16 Ta8 -","8","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0603","0.032","","","0.062","0.0721","","","","","","1.019","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117395","12.4272","0.0017","12.8506","0.0018","16.636","0.002","90","","102.338","0.002","90","","2595.4","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 Cl2 P2 Ta -","- C26 H33 Cl2 P2 Ta -","- C104 H132 Cl8 P8 Ta4 -","4","0.5","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0377","0.0281","","","0.0557","0.0592","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117396","9.896","0.003","13.06","0.005","11.577","0.004","90","","98.6","0.02","90","","1479.4","0.9","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C27 H31 Cl Cr N2 O5 Si -","- C27 H31 Cl Cr N2 O5 Si -","- C54 H62 Cl2 Cr2 N4 O10 Si2 -","2","0.5","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.56086","AgKα","","0.0372","0.0313","","","0.0877","0.0917","","","","","","1.062","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117397","9.791","0.002","13.307","0.002","18.432","0.002","90","","90","","90","","2401.5","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl Mo N2 O5 Si -","- C20 H23 Cl Mo N2 O5 Si -","- C80 H92 Cl4 Mo4 N8 O20 Si4 -","4","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0558","0.0472","","","0.1175","0.1208","","","","","","1.042","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117398","9.873","0.002","11.621","0.003","13.126","0.001","94.91","0.01","93.04","0.02","97.56","0.01","1484.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H31 Cl N2 O5 Si W -","- C27 H31 Cl N2 O5 Si W -","- C54 H62 Cl2 N4 O10 Si2 W2 -","2","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0211","0.0205","","","0.0509","0.0514","","","","","","1.087","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117399","10.538","0.002","18.029","0.001","12.411","0.003","90","","109.13","0.002","90","","2227.7","0.7","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cr F N2 O5 Si -","- C20 H23 Cr F N2 O5 Si -","- C80 H92 Cr4 F4 N8 O20 Si4 -","4","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0287","0.0253","","","0.067","0.0684","","","","","","1.039","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117400","9.203","0.003","10.28","0.001","13.187","0.002","110.72","0.01","99.33","0.02","91.24","0.04","1147.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F N2 O5 Si W -","- C20 H23 F N2 O5 Si W -","- C40 H46 F2 N4 O10 Si2 W2 -","2","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0154","0.0139","","","0.0341","0.0352","","","","","","1.065","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117401","14.9727","0.0008","11.6351","0.0007","14.1303","0.0007","90","","111.331","0.002","90","","2293","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 N4 Pd -","- C24 H38 N4 Pd -","- C96 H152 N16 Pd4 -","4","0.5","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.0339","0.0261","","","0.0681","0.0736","","","","","","1.122","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117402","16.3907","0.0012","7.7425","0.0006","20.3997","0.0016","90","","96.584","0.004","90","","2571.8","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Cl N4 O4 Pd -","- C24 H38 Cl N4 O4 Pd -","- C96 H152 Cl4 N16 O16 Pd4 -","4","0.5","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.0353","0.0263","","","0.0594","0.0644","","","","","","1.067","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4117403","13.8045","0.0011","17.783","0.0016","23.373","0.002","93.749","0.005","93.389","0.005","110.812","0.004","5331","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H152 F6 N16 O9 Pd4 S2 -","- C98 H152 F6 N16 O9 Pd4 S2 -","- C196 H304 F12 N32 O18 Pd8 S4 -","2","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.1226","0.056","","","0.1116","0.1396","","","","","","1.032","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117404","10.177","0.003","10.326","0.003","13.38","0.004","74.828","0.016","71.245","0.013","83.583","0.014","1284.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 N4 O Pd -","- C26 H40 N4 O Pd -","- C52 H80 N8 O2 Pd2 -","2","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.1443","0.073","","","0.1594","0.1892","","","","","","0.944","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117405","12.6897","0.0012","15.4709","0.0014","14.5349","0.0013","90","","94.934","0.006","90","","2842.9","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H42 N4 Pd -","- C32 H42 N4 Pd -","- C128 H168 N16 Pd4 -","4","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.029","0.024","","","0.048","0.0497","","","","","","1.032","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117406","10.2728","0.0002","10.2728","0.0002","28.3123","0.0012","90","","90","","90","","2987.81","0.15","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- In La4 S9 Sb -","- In La4 S9 Sb -","- In8 La32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0222","0.0214","","","0.0351","0.0353","","","","","","1.207","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117407","10.1042","0.0016","10.1042","0.0016","27.907","0.006","90","","90","","90","","2849.2","0.9","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- In Pr4 S9 Sb -","- In Pr4 S9 Sb -","- In8 Pr32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0187","0.0178","","","0.0336","0.0349","","","","","","0.988","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117408","10.0721","0.0001","10.0721","0.0001","27.8292","0.001","90","","90","","90","","2823.19","0.11","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- In Nd4 S9 Sb -","- In Nd4 S9 Sb -","- In8 Nd32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0419","0.0371","","","0.0631","0.0651","","","","","","1.119","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117409","10.7584","0.0009","7.206","0.0006","16.0033","0.0014","90","","98.264","0.003","90","","1227.77","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl N -","- C12 H24 Cl N -","- C48 H96 Cl4 N4 -","4","1","","Sergey V. Pronin; M. Greg Tabor; Daniel J. Jansen; Ryan A. Shenvi","A Stereoselective Hydroamination Transform To Access Polysubstituted Indolizidines","Journal of the American Chemical Society","2012","134","","2012","2015","10.1021/ja211090n","","","0.71073","MoKα","","0.1189","0.0559","","","0.1043","0.1247","","","","","","1.005","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117410","7.9857","0.0008","18.137","0.0019","15.7831","0.0015","90","","90.74","0.004","90","","2285.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 N4 O7 -","- C21 H32 N4 O7 -","- C84 H128 N16 O28 -","4","1","","Sergey V. Pronin; M. Greg Tabor; Daniel J. Jansen; Ryan A. Shenvi","A Stereoselective Hydroamination Transform To Access Polysubstituted Indolizidines","Journal of the American Chemical Society","2012","134","","2012","2015","10.1021/ja211090n","","","0.71073","MoKα","","0.0789","0.0531","","","0.1421","0.1597","","","","","","1.034","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117411","7.3579","0.0019","16.661","0.004","39.735","0.011","90","","90","","90","","4871","2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ubsc04","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C240 H216 N8 O16 S8 -","8","2","","Timothy W. Liwosz; Sherry R. Chemler","Copper-Catalyzed Enantioselective Intramolecular Alkene Amination/Intermolecular Heck-Type Coupling Cascade","Journal of the American Chemical Society","2012","134","","2020","2023","10.1021/ja211272v","","","0.71073","MoKα","","0.0777","0.0581","","","0.1198","0.128","","","","","","1.047","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117412","38.7295","0.0019","5.4682","0.0003","20.4124","0.001","90","","115.138","0.001","90","","3913.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N5 O2 S3 -","- C20 H17 N5 O2 S3 -","- C160 H136 N40 O16 S24 -","8","1","","Dinesh G. Patel; Fude Feng; Yu-ya Ohnishi; Khalil A. Abboud; So Hirata; Kirk S. Schanze; John R. Reynolds","It Takes More Than an Imine: The Role of the Central Atom on the Electron-Accepting Ability of Benzotriazole and Benzothiadiazole Oligomers","Journal of the American Chemical Society","2012","134","","2599","2612","10.1021/ja207978v","","","0.71073","MoKα","","0.0411","0.0295","","","0.0748","0.079","","","","","","1.02","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117413","5.754547","0.000012","5.754547","0.000012","28.503915","0.000079","90","","90","","120","","817.443","0.003","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ag1.5 F3 Mo Na1.5 O3 -","- Ag1.5 F3 Mo Na1.5 O3 -","- Ag9 F18 Mo6 Na9 O18 -","6","0.333333","","Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward","Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure","Journal of the American Chemical Society","2012","134","","2621","2625","10.1021/ja208587e","","","","","","","","","","","","","","","","","","","","","has coordinates","288013","2023-12-04","16:58:37",""
"4117414","5.741466","0.000018","5.741466","0.000018","28.63794","0.00011","90","","90","","120","","817.557","0.005","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ag1.5 F3 Na1.5 O3 W -","- Ag1.5 F3 Na1.5 O3 W -","- Ag9 F18 Na9 O18 W6 -","6","0.333333","","Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward","Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure","Journal of the American Chemical Society","2012","134","","2621","2625","10.1021/ja208587e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117415","10.9711","0.0002","35.2476","0.0007","19.049","0.0004","90","","90.5069","0.0007","90","","7366.1","0.3","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H43 Cl3 N6 -","- C43 H43 Cl3 N6 -","- C344 H344 Cl24 N48 -","8","4","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0327","","","","0.0943","","","","","","0.874","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117416","19.591","0.0008","51.73","0.003","14.2715","0.0005","90","","90.9052","0.001","90","","14461.5","1.1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.88 H99.82 Cl12 N15.94 O2 Pd6 -","- C91.88 H84 Cl12 N15.94 O2 Pd6 -","- C367.52 H336 Cl48 N63.76 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0991","","","","0.3164","","","","","","0.93","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117417","19.6178","0.0008","52.238","0.003","14.3202","0.0005","90","","91.2573","0.001","90","","14671.7","1.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96.54 H102.39 Cl12 N13.84 O2 Pd6 -","- C96.548 H84 Cl12 N13.843 O2 Pd6 -","- C386.192 H336 Cl48 N55.372 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0965","","","","0.3121","","","","","","0.989","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117418","19.5464","0.0011","51.984","0.003","14.2556","0.0007","90","","91.3359","0.001","90","","14481.2","1.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92.29 H95.19 Br2.1 Cl12 N13 O2 Pd6 -","- C92.288 H84 Br2.096 Cl12 N13 O2 Pd6 -","- C369.152 H336 Br8.384 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0976","","","","0.3072","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117419","19.6321","0.0011","52.27","0.003","14.3163","0.0007","90","","90.7813","0.001","90","","14689.6","1.4","99","","99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94.47 H96.64 Br2.82 Cl12 N13 O2 Pd6 -","- C94.466 H84 Br2.822 Cl12 N13 O2 Pd6 -","- C377.864 H336 Br11.288 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0875","","","","0.2783","","","","","","0.961","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117420","19.5941","0.0012","52.174","0.004","14.3018","0.0009","90","","91.0613","0.001","90","","14618.3","1.7","99","","99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90.1 H93.73 Br1.37 Cl12 N13 O2 Pd6 -","- C90.098 H84 Br1.366 Cl12 N13 O2 Pd6 -","- C360.392 H336 Br5.464 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.086","","","","0.2788","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117421","19.6214","0.0009","52.237","0.003","14.3071","0.0007","90","","90.8429","0.001","90","","14662.7","1.3","98","","98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97.35 H98.56 Br3.78 Cl12 N13 O2 Pd6 -","- C97.346 H84 Br3.782 Cl12 N13 O2 Pd6 -","- C389.384 H336 Br15.128 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.087","","","","0.2697","","","","","","1.008","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117422","19.26","0.05","51.47","0.1","14.07","0.03","90","","91.03","0.05","90","","13946","5","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96.49 H97.99 Br3.5 Cl12 N13 O2 Pd6 -","- C96.488 H84 Br3.496 Cl12 N13 O2 Pd6 -","- C385.952 H336 Br13.984 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0976","","","","0.3078","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117423","19.5756","0.0007","51.9794","0.0019","14.3211","0.0005","90","","91.7141","0.001","90","","14565.6","0.9","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103.66 H107.75 Cl12 N14.87 O2 Pd6 -","- C103.64 H84 Cl12 N14.87 O2 Pd6 -","- C414.56 H336 Cl48 N59.48 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0869","","","","0.2792","","","","","","1.047","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117424","19.5853","0.0014","51.947","0.004","14.3087","0.0009","90","","91.3919","0.001","90","","14553.3","1.8","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103.87 H106.69 Cl12 N14 O2 Pd6 -","- C103.87 H84 Cl12 N14 O2 Pd6 -","- C415.48 H336 Cl48 N56 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0939","","","","0.3018","","","","","","0.878","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117425","14.3444","0.0006","52.812","0.003","19.7014","0.0009","90","","90.7824","0.001","90","","14923.5","1.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C195.13 H207.17 Cl26.51 N27.53 O5.51 Pd12 -","- C194.132 H168 Cl26.509 N27.53 O4.509 Pd12 -","- C388.264 H336 Cl53.018 N55.06 O9.018 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0823","","","","0.2359","","","","","","0.931","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117426","14.3191","0.0003","52.7125","0.001","19.6819","0.0004","90","","90.908","0.001","90","","14853.9","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C184.79 H197.62 Cl25.19 N27.64 O5.19 Pd12 -","- C184.804 H168 Cl25.188 N27.65 O5.188 Pd12 -","- C369.608 H336 Cl50.376 N55.3 O10.376 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","0.0986","0.0755","","","0.223","0.2444","","","","","","1.042","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117427","14.3425","0.0003","52.8215","0.0011","19.705","0.0004","90","","90.8605","0.0007","90","","14926.7","0.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C197.88 H211.03 Cl26.6 N28.55 O5.6 Pd12 -","- C196.928 H168 Cl26.596 N28.55 O4.656 Pd12 -","- C393.856 H336 Cl53.192 N57.1 O9.312 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0843","","","","0.2599","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117428","25.21","0.02","13.12","0.001","11.85","0.01","90","","95.22","0.02","90","","3903","5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Fe I2 N6 O0.5 -","- C38 H32 Fe I2 N6 O0.5 -","- C152 H128 Fe4 I8 N24 O2 -","4","0.5","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","","0.71073","MoKα","","0.0702","0.0702","","0.0771","","0.0771","","","1.904","","","1.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117429","10.448","0.002","13.901","0.003","15.153","0.003","101.2","0.03","92.25","0.03","95.77","0.03","2144","0.8","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Fe0.5 I2 N2.5 O0.75 -","- C19 H22 Fe0.5 I2 N2.5 O0.75 -","- C76 H88 Fe2 I8 N10 O3 -","4","2","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","x-ray","0.71073","MoKα","","0.1102","0.0893","","","0.2206","0.2304","","","","","","1.16","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117430","11.687","0.004","7.864","0.003","31.44","0.01","90","","97.86","0.01","90","","2862.4","1.7","200","","200","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H24 F12 Fe N2 P2 -","- C27 H24 F12 Fe N2 P2 -","- C108 H96 F48 Fe4 N8 P8 -","4","1","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","","0.71073","MoKα","","0.0513","0.0513","","0.0613","","0.0613","","","1.944","","","1.944","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117431","11.1943","0.0008","11.267","0.0008","13.5411","0.001","72.63","0.001","85.297","0.001","66.5","0.001","1493.47","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O Se -","- C16 H18 N2 O Se -","- C64 H72 N8 O4 Se4 -","4","2","","Javeed Akhtar; Masood Akhtar; Mohammad Azad Malik; Paul O'Brien; James Raftery","A Single-Source Precursor Route to Unusual PbSe Nanostructures by a Solution-Liquid-Solid Method","Journal of the American Chemical Society","2012","134","","2485","2487","10.1021/ja209831n","","","0.71073","MoKα","","0.0477","0.0406","","","0.0854","0.0895","","","","","","1.126","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117432","14.646","0.0008","11.1689","0.0006","10.6985","0.0006","90","","103.614","0.002","90","","1700.89","0.16","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N4 O2 S -","- C16 H15 Br N4 O2 S -","- C64 H60 Br4 N16 O8 S4 -","4","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0376","0.0328","","","0.0924","0.0958","","","","","","1.003","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117433","9.7488","0.0008","8.9169","0.0008","19.246","0.0017","90","","104.633","0.001","90","","1618.8","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N2 O2 S -","- C16 H15 Br N2 O2 S -","- C64 H60 Br4 N8 O8 S4 -","4","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0266","0.0221","","","0.0571","0.0593","","","","","","1.044","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117434","8.974","0.0007","8.3505","0.0007","12.4633","0.001","90","","108.856","0.001","90","","883.84","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C38 H44 N4 O4 S2 -","2","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0277","0.0272","","","0.0732","0.0738","","","","","","1.031","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117435","10.1287","0.0009","11.8446","0.0012","14.014","0.0014","90","","90","","90","","1681.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","JFB-02-104","toste33","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste","Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes","Journal of the American Chemical Society","2012","134","","2742","2749","10.1021/ja210388g","","","1.54178","CuKα","","0.0263","0.0261","","","0.0697","0.0699","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117436","9.3322","0.0008","7.1038","0.0006","12.7222","0.0011","90","","107.09","0.003","90","","806.17","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","JFB-03-045","toste40","","- C17 H17 N O7 -","- C17 H17 N O7 -","- C34 H34 N2 O14 -","2","1","","Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste","Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes","Journal of the American Chemical Society","2012","134","","2742","2749","10.1021/ja210388g","","","1.54178","CuKα","","0.0304","0.0302","","","0.083","0.0832","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117437","6.1292","0.0003","10.4615","0.0004","21.2155","0.0009","90","","90","","90","","1360.35","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Forest J. Robertson; Jimmy Wu","Phosphorothioic Acids and Related Compounds as Surrogates for H2S-Synthesis of Chiral Tetrahydrothiophenes","Journal of the American Chemical Society","2012","134","","2775","2780","10.1021/ja210758n","","x-ray","1.54178","CuKα","","0.0771","0.0518","","","0.1119","0.1214","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117438","14.8369","0.0012","14.6098","0.0012","27.373","0.002","90","","103.276","0.001","90","","5774.9","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Mo(NAr)(CHCMe2Ph)(2,5-Me2Pyr)(monoBitet)","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C236 H328 Br8 Mo4 N8 O8 Si4 -","4","2","","Miao Yu; Ismail Ibrahem; Masayuki Hasegawa; Richard R. Schrock; Amir H. Hoveyda","Enol Ethers as Substrates for EfficientZ- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes: Utility in Chemical Synthesis and Mechanistic Attributes","Journal of the American Chemical Society","2012","134","","2788","2799","10.1021/ja210946z","","","0.71073","MoKα","","0.0418","0.0319","","","0.0723","0.0766","","","","","","1.023","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117439","11.1036","0.0009","12.5845","0.0011","20.5049","0.0017","90","","100.568","0.001","90","","2816.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C118 H164 Br4 Mo2 N4 O4 Si2 -","2","1","","Miao Yu; Ismail Ibrahem; Masayuki Hasegawa; Richard R. Schrock; Amir H. Hoveyda","Enol Ethers as Substrates for EfficientZ- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes: Utility in Chemical Synthesis and Mechanistic Attributes","Journal of the American Chemical Society","2012","134","","2788","2799","10.1021/ja210946z","","","0.71073","MoKα","","0.0257","0.0237","","","0.0531","0.0535","","","","","","0.941","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117440","8.07317","0.00017","8.55027","0.00017","16.8646","0.0003","90","","98.677","0.0019","90","","1150.8","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H26 Br Cl N2 O2 -","- C25 H26 Br Cl N2 O2 -","- C50 H52 Br2 Cl2 N4 O4 -","2","1","","Łukasz Albrecht; Gustav Dickmeiss; Fabio Cruz Acosta; Carles Rodríguez-Escrich; Rebecca L. Davis; Karl Anker Jørgensen","Asymmetric Organocatalytic Formal [2 + 2]-Cycloadditions via Bifunctional H-Bond Directing Dienamine Catalysis","Journal of the American Chemical Society","2012","134","","2543","2546","10.1021/ja211878x","","","0.7107","MoKα","","0.0349","0.0304","","","0.0629","0.0654","","","","","","1.043","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117441","9.9088","0.0002","12.3092","0.0003","17.7168","0.0004","90","","93.0773","0.001","90","","2157.79","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Al Cl Fe N2 O2 -","- C20 H24 Al Cl Fe N2 O2 -","- C80 H96 Al4 Cl4 Fe4 N8 O8 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0675","0.0458","","0.1365","0.1224","0.1365","","","","","","0.9274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117442","9.9819","0.0002","10.0605","0.0002","12.3107","0.0003","83.6209","0.0008","69.1742","0.0008","76.6715","0.001","1123.8","0.04","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 Al Cl Mn N2 O2 -","- C21 H27 Al Cl Mn N2 O2 -","- C42 H54 Al2 Cl2 Mn2 N4 O4 -","2","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0517","0.034","","0.0711","0.0571","0.0711","","","","","","0.9218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117443","10.1264","0.0001","20.4974","0.0003","16.7518","0.0002","90","","103.604","0.0006","90","","3379.53","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H50 Al Mn N2 O2 -","- C37 H50 Al Mn N2 O2 -","- C148 H200 Al4 Mn4 N8 O8 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0722","0.039","","0.0821","0.0607","0.0821","","","","","","0.9834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117444","10.64322","0.0001","19.59951","0.00019","18.60077","0.00018","90","","98.4228","0.0009","90","","3838.31","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Al N3 O5 W -","- C36 H50 Al N3 O5 W -","- C144 H200 Al4 N12 O20 W4 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","1.5418","CuKα","","0.0286","0.0272","","0.042","0.0418","0.042","","","","","","1.4791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117445","17.5944","0.0002","21.1678","0.0003","9.0757","0.0001","90","","90","","90","","3380.11","0.07","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33.11 H43 Al Cr N2 O4.11 -","- C33.1141 H43 Al Cr N2 O4.1141 -","- C132.456 H172 Al4 Cr4 N8 O16.4564 -","4","0.5","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0569","0.0456","","0.1103","0.1025","0.1103","","","","","","0.9421","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117446","13.057","0.003","12.612","0.003","15.7","0.003","90","","90","","90","","2585.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H15 B2 Cl F8 N2 -","- C7 H15 B2 Cl F8 N2 -","- C56 H120 B16 Cl8 F64 N16 -","8","1","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","0.71073","MoKα","","0.105","0.0979","","","0.2369","0.2406","","","","","","1.216","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117447","8.3933","0.0004","9.6118","0.0004","18.5236","0.0008","85.815","0.002","85.653","0.002","89.719","0.002","1486.11","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C52 H96 N8 O12 -","4","2","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","0.71073","MoKα","","0.0874","0.0492","","","0.1099","0.1245","","","","","","1.025","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117448","9.7378","0.0008","12.9988","0.0011","10.2003","0.0009","90","","108.491","0.006","90","","1224.49","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","2","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","1.54178","CuKα","","0.0709","0.0625","","","0.1678","0.1794","","","","","","1.017","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117449","8.795","0.002","8.795","","27.918","0.009","90","","90","","90","","2159.5","0.9","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","0.25","","Matthew G. Cowan; Juan Olguín; Suresh Narayanaswamy; Jeffery L. Tallon; Sally Brooker","Reversible Switching of a Cobalt Complex by Thermal, Pressure, and Electrochemical Stimuli: Abrupt, Complete, Hysteretic Spin Crossover","Journal of the American Chemical Society","2012","134","","2892","2894","10.1021/ja208429u","","","0.71073","MoKα","","0.0657","0.0469","","","0.1214","0.1338","","","","","","1.02","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117450","8.668","0.005","27.656","0.014","8.514","0.005","90","","91.52","0.03","90","","2040","2","89","2","89","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","1","","Matthew G. Cowan; Juan Olguín; Suresh Narayanaswamy; Jeffery L. Tallon; Sally Brooker","Reversible Switching of a Cobalt Complex by Thermal, Pressure, and Electrochemical Stimuli: Abrupt, Complete, Hysteretic Spin Crossover","Journal of the American Chemical Society","2012","134","","2892","2894","10.1021/ja208429u","","","0.71073","MoKα","","0.1742","0.1244","","","0.329","0.3561","","","","","","1.104","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117451","5.7034","0.0008","26.89","0.004","18.2435","0.0019","90","","100.429","0.004","90","","2751.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ag2069","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C112 H136 N8 O40 -","8","2","","P. Andrew Evans; Aleksandr Grisin; Michael J. Lawler","Diastereoselective Construction of syn-1,3-Dioxanes via a Bismuth-Mediated Two-Component Hemiacetal/Oxa-Conjugate Addition Reaction","Journal of the American Chemical Society","2012","134","","2856","2859","10.1021/ja208668u","","","0.71073","MoKα","","0.0843","0.0476","","","0.0966","0.1052","","","","","","1.055","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117452","5.32356","0.00014","5.32356","","5.32356","","90","","90","","90","","150.871","0.004","298","","298","","","","","","","","Syn","2","F m -3 m","-F 4 2 3","225","Neptunium dinitride","Neptunium dinitride","","- N2 Np -","- N2 Np -","- N8 Np4 -","4","0.0208333","","G. W. Chinthaka Silva; Philippe F. Weck; Eunja Kim; Charles B. Yeamans; Gary S. Cerefice; Alfred P. Sattelberger; Kenneth R. Czerwinski","Crystal and Electronic Structures of Neptunium Nitrides Synthesized Using a Fluoride Route","Journal of the American Chemical Society","2012","134","","3111","3119","10.1021/ja209503n","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.0864","","0.73","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117453","10.6513","0.0004","10.6513","","10.6513","","90","","90","","90","","1208.39","0.05","298","","298","","","","","","","","Syn","2","I a -3","-I 2b 2c 3","206","Neptunium nitride","Neptunium nitride","","- N3 Np2 -","- N3 Np2 -","- N48 Np32 -","16","0.333333","","G. W. Chinthaka Silva; Philippe F. Weck; Eunja Kim; Charles B. Yeamans; Gary S. Cerefice; Alfred P. Sattelberger; Kenneth R. Czerwinski","Crystal and Electronic Structures of Neptunium Nitrides Synthesized Using a Fluoride Route","Journal of the American Chemical Society","2012","134","","3111","3119","10.1021/ja209503n","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04038","","0.93","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117454","11.1437","0.0004","14.7636","0.0005","16.2934","0.0005","88.263","0.001","75.834","0.001","74.699","0.001","2505.28","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc2C2@C80Ad-A","","","- C97.8 H17.3 Cl1.65 S1.7 Sc2 -","- C97.8 H17.3 Cl1.65 S1.7 Sc1.999 -","- C195.6 H34.6 Cl3.3 S3.4 Sc3.998 -","2","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.1259","0.099","","","0.2675","0.2948","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117455","11.13","0.002","14.73","0.004","16.508","0.004","88.207","0.012","74.636","0.011","74.459","0.011","2512","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc2C2@C80Ad-B","","","- C98.5 H18 Cl2 S Sc2 -","- C98.5 H18 Cl2 S Sc2.001 -","- C197 H36 Cl4 S2 Sc4.002 -","2","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","1","synchrotron","","0.1558","0.1185","","","0.354","0.3791","","","","","","1.436","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117456","11.1166","0.0001","21.7692","0.0003","21.0084","0.0003","90","","99.822","0.001","90","","5009.5","0.11","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-C","","","- C98.5 H18 Cl2 S Sc2 -","- C98.5 H18 Cl2 S Sc2 -","- C394 H72 Cl8 S4 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.0794","0.0655","","","0.1752","0.1903","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117457","10.9836","0.0002","21.6821","0.0004","21.2588","0.0004","90","","100.223","0.001","90","","4982.36","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-G","","","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C389.2 H67.2 Cl5.6 S8.8 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.0731","0.0552","","","0.1335","0.1457","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117458","10.6993","0.0005","15.4039","0.0006","12.9476","0.0006","90","","109.992","0.002","90","","2005.32","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(DO)(DOH)pn(OH2)2](ClO4)2","","","- C11 H23 Cl2 Co N4 O12 -","- C11 H23 Cl2 Co N4 O12 -","- C44 H92 Cl8 Co4 N16 O48 -","4","1","","Charles C. L. McCrory; Christopher Uyeda; Jonas C. Peters","Electrocatalytic Hydrogen Evolution in Acidic Water with Molecular Cobalt Tetraazamacrocycles","Journal of the American Chemical Society","2012","134","","3164","3170","10.1021/ja210661k","","","0.71073","MoKα","","0.0433","0.0288","","","0.0737","0.0809","","","","","","1.027","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117459","16.0293","0.0001","16.672","0.0004","23.1824","0.0002","90","","107.661","0.0004","90","","5903.28","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F6 N2 O2 S2 -","- C26 H22 F6 N2 O2 S2 -","- C208 H176 F48 N16 O16 S16 -","8","2","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","0.71073","MoKα","","0.0637","0.0487","","","0.1409","0.1494","","","","","","1.068","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117460","13.8935","0.0004","13.9569","0.0004","18.8869","0.0005","106.288","0.002","99.363","0.002","92.169","0.002","3455.04","0.17","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H50 B F24 O P2 Rh -","- C76 H50 B F24 O P2 Rh -","- C152 H100 B2 F48 O2 P4 Rh2 -","2","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","1.54184","CuKα","","0.0746","0.0642","","0.1827","0.1697","0.1827","","","","","","0.9882","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117461","11.6512","0.0003","18.6314","0.0006","19.4202","0.0008","117.813","0.004","91.16","0.003","102.919","0.003","3596.2","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H50 B F24 O2 P2 Rh S -","- C77 H50 B F24 O2 P2 Rh S -","- C154 H100 B2 F48 O4 P4 Rh2 S2 -","2","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","0.6889","Synchrotron","","0.0966","0.0804","","0.2405","0.216","0.2405","","","","","","0.9382","","","","has coordinates,has disorder","288252","2023-12-12","14:26:24",""
"4117462","12.068","0.0011","22.5648","0.0018","7.3024","0.0007","90","","93.583","0.009","90","","1984.6","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F3 O4 S2 -","- C19 H19 F3 O4 S2 -","- C76 H76 F12 O16 S8 -","4","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","1.5418","CuKα","","0.1094","0.0723","","0.2064","0.1743","0.2064","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117463","24.60237","0.00014","24.60237","","24.60237","","90","","90","","90","","14891.2","0.08","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi0.04 Na0.14 O2 Si -","- Bi0.0437667 Na0.135583 O2 Si -","- Bi8.4032 Na26.032 O384 Si192 -","192","1","","Hong-Tao Sun; Yoshitaka Matsushita; Yoshio Sakka; Naoto Shirahata; Masahiko Tanaka; Yoshio Katsuya; Hong Gao; Keisuke Kobayashi","Synchrotron X-ray, Photoluminescence, and Quantum Chemistry Studies of Bismuth-Embedded Dehydrated Zeolite Y","Journal of the American Chemical Society","2012","134","","2918","2921","10.1021/ja211426b","powder diffraction","x-ray","0.653","","","","","","","","","0.16459","","0.84","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117464","18.3988","0.0014","18.6925","0.0014","19.076","0.002","94.796","0.002","116.638","0.002","116.175","0.001","4928.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H197 Ag38 Cl18 O50 -","- C128 H197 Ag38 Cl18 O50 -","- C128 H197 Ag38 Cl18 O50 -","1","0.5","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0491","0.0338","","","0.07","0.0799","","","","","","1.108","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117465","32.884","0.003","20.3223","0.0018","33.95","0.003","90","","91.106","0.002","90","","22684","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C172 H246 Ag38 Cl18 O51 -","- C172 H246 Ag38 Cl18 O51 -","- C688 H984 Ag152 Cl72 O204 -","4","0.5","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.051","0.0393","","","0.1016","0.1121","","","","","","1.123","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117466","25.8259","0.0015","25.8259","0.0015","12.3664","0.0007","90","","90","","120","","7143.1","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H132 Ag14 Cl2 -","- C96 H132 Ag14 Cl2 -","- C288 H396 Ag42 Cl6 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0285","0.0255","","","0.0654","0.0675","","","","","","1.05","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117467","24.4626","0.0014","24.4626","0.0014","14.0339","0.0007","90","","90","","120","","7273","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Ag14 Cl2 -","- C96 H126 Ag14 Cl2 -","- C288 H378 Ag42 Cl6 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0577","0.0435","","","0.1068","0.1185","","","","","","1.04","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117468","24.5343","0.0015","24.5343","0.0015","13.9815","0.0009","90","","90","","120","","7288.4","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H132 Ag14 Br N O3 -","- C96 H132 Ag14 Br N O3 -","- C288 H396 Ag42 Br3 N3 O9 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.034","0.0324","","","0.0819","0.0839","","","","","","1.105","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117469","21.4318","0.0009","21.4318","0.0009","13.767","0.0006","90","","90","","120","","5476.3","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H84 Ag14 Cl N O3 -","- C60 H84 Ag14 Cl N O3 -","- C180 H252 Ag42 Cl3 N3 O9 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0269","0.0259","","","0.0654","0.0662","","","","","","1.089","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117470","9.7263","0.0015","14.74","0.002","14.927","0.002","79.451","0.003","81.489","0.003","81.424","0.003","2064.2","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 B10 -","- C17 H25.5 B10 -","- C68 H102 B40 -","4","2","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1151","0.0706","","","0.1909","0.2312","","","","","","1.059","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117471","9.7765","0.0017","10.1792","0.0017","13.111","0.002","82.254","0.003","81.311","0.003","62.982","0.003","1145.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H38 B10 -","- C18 H38 B10 -","- C36 H76 B20 -","2","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1338","0.0653","","","0.1559","0.1968","","","","","","1.004","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117472","11.337","0.0019","10.6235","0.0018","19.108","0.003","90","","106.542","0.003","90","","2206.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B10 O -","- C18 H30 B10 O -","- C72 H120 B40 O4 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0816","0.0524","","","0.1329","0.1603","","","","","","1.026","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117473","9.533","0.002","18.412","0.004","13.318","0.003","90","","102.604","0.004","90","","2281.3","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 B10 -","- C19 H30 B10 -","- C76 H120 B40 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1104","0.0552","","","0.1385","0.1712","","","","","","1.001","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117474","10.693","0.003","10.693","0.003","37.114","0.011","90","","90","","120","","3675.1","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C17 H38 B10 Si -","- C17 H38 B10 Si -","- C102 H228 B60 Si6 -","6","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0867","0.055","","","0.1356","0.158","","","","","","1.066","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117475","13.579","0.002","13.033","0.002","14.93","0.002","90","","113.184","0.003","90","","2428.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 B10 Si -","- C19 H34 B10 Si -","- C76 H136 B40 Si4 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0985","0.0544","","","0.1403","0.1745","","","","","","1.062","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117476","11.8291","0.0018","16.137","0.002","14.117","0.002","90","","108.298","0.003","90","","2558.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 B10 -","- C23 H32 B10 -","- C92 H128 B40 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1241","0.062","","","0.1586","0.2087","","","","","","1.016","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117477","11.068","0.016","21.3","0.03","20.99","0.03","90","","90.45","0.03","90","","4948","12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 B10 Ni P2 -","- C49 H52 B10 Ni P2 -","- C196 H208 B40 Ni4 P8 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1029","0.0578","","","0.1484","0.1796","","","","","","1.008","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117478","11.069","0.002","11.566","0.002","12.627","0.003","86.47","0.03","85.08","0.03","72.08","0.03","1531.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N3 O2 S -","- C34 H39 N3 O2 S -","- C68 H78 N6 O4 S2 -","2","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.1199","0.0454","","","0.084","0.1069","","","","","","0.998","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117479","11.426","0.002","19.715","0.004","12.377","0.003","90","","112.44","0.03","90","","2577","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl N3 O2 S -","- C28 H34 Cl N3 O2 S -","- C112 H136 Cl4 N12 O8 S4 -","4","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.0979","0.0448","","","0.0839","0.1178","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117480","6.3036","0.0012","28.939","0.006","14.11","0.003","90","","92.971","0.003","90","","2570.5","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 N3 O2 S -","- C29 H37 N3 O2 S -","- C116 H148 N12 O8 S4 -","4","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.0749","0.0653","","","0.1348","0.1415","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117481","5.94197","0.00004","10.24152","0.00006","14.97189","0.00011","90","","92.3182","0.0006","90","","910.366","0.011","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.12226","","2.15","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117482","3.02032","0.00011","3.02032","","3.02032","","90","","90","","90","","27.5524","0.001","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.12226","","2.15","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117483","5.94251","0.00006","10.24416","0.00008","14.972","0.0002","90","","92.2969","0.0007","90","","910.704","0.017","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.16956","","2.28","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117484","5.93816","0.00005","10.24207","0.00008","14.85187","0.00017","90","","92.2902","0.0006","90","","902.555","0.015","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.14624","","2.03","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117485","20.2808","0.001","31.1535","0.0014","13.2331","0.0007","90","","90","","90","","8360.9","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C68 H60 Ag4 Au4 B4 F16 N8 S8 -","- C68 H60 Ag4 Au4 B4 F16 N8 S8 -","- C272 H240 Ag16 Au16 B16 F64 N32 S32 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.0853","0.0823","","","0.2051","0.2078","","","","","","1.118","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117486","18.5786","0.0006","9.3933","0.0002","28.6536","0.0009","90","","94.522","0.003","90","","4984.9","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 Ag3 F6 N6 S6 -","- C51 H39 Ag3 F6 N6 S6 -","- C204 H156 Ag12 F24 N24 S24 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0962","0.0786","","","0.1862","0.1915","","","","","","1.326","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117487","17.0349","0.0005","35.2215","0.0008","16.1138","0.0005","90","","92.411","0.003","90","","9659.6","0.5","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 Ag4 Au4 B4 F24 N8 S8 -","- C68 H52 Ag4 Au4 B4 F24 N8 S8 -","- C272 H208 Ag16 Au16 B16 F96 N32 S32 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0613","0.045","","","0.1103","0.1165","","","","","","1.03","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117488","31.0857","0.0005","13.319","0.0003","29.7191","0.0005","90","","118.078","0.001","90","","10856.5","0.4","133","2","133","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8 -","- C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8 -","- C384 H336 Ag16 Au16 B16 Cl32 F64 N32 S32 -","4","0.5","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0381","0.0356","","","0.0889","0.0901","","","","","","1.168","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117489","14.0463","0.0004","15.4461","0.0004","16.3208","0.0005","112.674","0.001","93.402","0.001","108.513","0.001","3030.65","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H57 Ag3 N6 S6 -","- C69 H57 Ag3 N6 S6 -","- C138 H114 Ag6 N12 S12 -","2","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.0358","0.0286","","","0.0702","0.0754","","","","","","1.065","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117490","9.2851","0.0003","30.0971","0.0009","37.5323","0.0009","90","","90","","90","","10488.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H39 Au3 F6 N6 S6 -","- C51 H39 Au3 F6 N6 S6 -","- C408 H312 Au24 F48 N48 S48 -","8","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.1099","0.0997","","","0.2611","0.2699","","","","","","1.144","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117491","11.31","0.002","18.114","0.004","18.672","0.004","112.73","0.03","106.9","0.03","96.19","0.03","3269.1","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H65 Au3 N6 O S6 -","- C73 H65 Au3 N6 O S6 -","- C146 H130 Au6 N12 O2 S12 -","2","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.084","0.0749","","","0.1955","0.2067","","","","","","1.091","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117492","10.592","0.005","13.611","0.007","18.762","0.009","90","","90","","90","","2705","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cu N3 O5 -","- C31 H29 Cu N3 O5 -","- C124 H116 Cu4 N12 O20 -","4","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Alkylation of β-Ketoesters and Subsequent Cyclization to Spirolactones/Bi-spirolactones","Journal of the American Chemical Society","2012","134","","2946","2949","10.1021/ja211859w","","x-ray","0.71073","MoKα","","0.0441","0.0344","","","0.0754","0.0798","","","","","","1.038","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117493","11.858","0.006","6.136","0.003","23.502","0.011","90","","95.347","0.01","90","","1702.6","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Alkylation of β-Ketoesters and Subsequent Cyclization to Spirolactones/Bi-spirolactones","Journal of the American Chemical Society","2012","134","","2946","2949","10.1021/ja211859w","","x-ray","0.71073","MoKα","","0.065","0.0482","","","0.121","0.1338","","","","","","1.023","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117494","13.0491","0.0004","13.3708","0.0004","40.9566","0.0013","90","","92.13","","90","","7141","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-2,3-bis(tert-butyliminomethylene)- 1,4-diisopropyltetrasilane","","- C49 H120 N2 Si12 -","- C49 H120 N2 Si12 -","- C196 H480 N8 Si48 -","4","1","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","A New Disilene with π-Accepting Groups from the Reaction of Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]) with Isocyanides","Journal of the American Chemical Society","2012","134","","2954","2957","10.1021/ja212065a","","","0.71073","MoKα","","0.0982","0.0698","","","0.2113","0.2325","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117495","9.5952","0.0011","10.9258","0.0013","14.635","0.003","106.505","0.002","95.721","0.002","109.877","0.001","1350.2","0.4","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-2,3-dicyano- 1,4-diisopropyl-2-tetrasilene","","- C36 H90 N2 Si12 -","- C36 H90 N2 Si12 -","- C36 H90 N2 Si12 -","1","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","A New Disilene with π-Accepting Groups from the Reaction of Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]) with Isocyanides","Journal of the American Chemical Society","2012","134","","2954","2957","10.1021/ja212065a","","","0.71073","MoKα","","0.0982","0.0562","","","0.1304","0.1417","","","","","","0.999","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117496","6.9781","0.0014","18.955","0.004","21.355","0.004","90","","96.569","0.003","90","","2806.1","1","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Br2 O4 -","- C34 H28 Br2 O4 -","- C136 H112 Br8 O16 -","4","1","","Akiko Yagi; Yasutomo Segawa; Kenichiro Itami","Synthesis and Properties of [9]Cyclo-1,4-naphthylene: A π-Extended Carbon Nanoring","Journal of the American Chemical Society","2012","134","","2962","2965","10.1021/ja300001g","","","0.7107","MoKα","","0.0527","0.0408","","","0.0903","0.0976","","","","","","1.066","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117497","7.5571","0.0011","12.8797","0.0016","14.111","0.002","68.14","0.005","83.629","0.006","76.933","0.006","1241.2","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 Br2 O2 -","- C32 H24 Br2 O2 -","- C64 H48 Br4 O4 -","2","1","","Akiko Yagi; Yasutomo Segawa; Kenichiro Itami","Synthesis and Properties of [9]Cyclo-1,4-naphthylene: A π-Extended Carbon Nanoring","Journal of the American Chemical Society","2012","134","","2962","2965","10.1021/ja300001g","","","0.7107","MoKα","","0.0322","0.0244","","","0.0561","0.0588","","","","","","1.031","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117498","10.2531","0.0006","13.9891","0.0009","15.2353","0.0009","95.947","0.003","107.78","0.003","97.433","0.003","2039.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Hf2 N2 O2 Si2 -","- C42 H60 Hf2 N2 O2 Si2 -","- C84 H120 Hf4 N4 O4 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0321","0.0244","","","0.0514","0.0539","","","","","","1.077","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117499","11.2581","0.0006","13.9369","0.0009","17.4621","0.001","80.324","0.003","86.219","0.003","89.165","0.003","2695","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H63 Hf2 I N2 O3 Si2 -","- C44 H63 Hf2 I N2 O3 Si2 -","- C88 H126 Hf4 I2 N4 O6 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0281","0.0224","","","0.0661","0.0685","","","","","","1.009","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117500","9.3309","0.0007","10.2407","0.0008","24.575","0.002","85.677","0.003","87.437","0.003","68.155","0.003","2173.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H63 Hf2 N2 O3 Si2 -","- C45 H63 Hf2 N2 O3 Si2 -","- C90 H126 Hf4 N4 O6 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0266","0.0199","","","0.0414","0.044","","","","","","1.017","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117501","11.2354","0.0004","13.7569","0.0004","20.0187","0.001","83.601","0.002","77.383","0.002","87.862","0.002","3000.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H78 Hf2 N4 O4 Si2 -","- C52 H78 Hf2 N4 O4 Si2 -","- C104 H156 Hf4 N8 O8 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","1.54178","CuKα","","0.0307","0.0262","","","0.0659","0.068","","","","","","1.036","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117502","52.893","0.012","14.406","0.003","39.178","0.007","90","","104.803","0.004","90","","28862","10","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H119 Cl Mo2 N12 O2 -","- C124 H119 Cl Mo2 N12 O2 -","- C992 H952 Cl8 Mo16 N96 O16 -","8","1","","Osamu Matsushita; Valentina M. Derkacheva; Atsuya Muranaka; Soji Shimizu; Masanobu Uchiyama; Evgeny A. Luk'yanets; Nagao Kobayashi","Rectangular-Shaped Expanded Phthalocyanines with Two Central Metal Atoms","Journal of the American Chemical Society","2012","134","","3411","3418","10.1021/ja209589x","","","0.71073","MoKα","","0.1314","0.0657","","","0.1619","0.1853","","","","","","0.889","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117503","19.874","0.004","36.991","0.007","26.996","0.005","90","","96.499","0.004","90","","19719","7","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C80 H462 Cl25 Co10 Gd42 O408 -","- C72 H140 Cl25 Co10 Gd42 O305 -","- C144 H280 Cl50 Co20 Gd84 O610 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1269","0.0794","","","0.1991","0.2184","","","","","","0.999","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117504","20.046","0.003","36.868","0.006","26.981","0.004","90","","97.142","0.004","90","","19786","5","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C86 H480 Cl25 Co10 Dy42 O411 -","- C72 H143 Cl25 Co10 Dy42 O314 -","- C144 H286 Cl50 Co20 Dy84 O628 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1341","0.0818","","","0.1882","0.2074","","","","","","1.002","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117505","19.5958","0.0009","36.8464","0.001","27.0024","0.0008","90","","96.293","0.004","90","","19379.2","1.2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H458 Cl24 Gd42 Ni10 O410 -","- C72 H140 Cl24 Gd42 Ni10 O302 -","- C144 H280 Cl48 Gd84 Ni20 O604 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1835","0.0853","","","0.1523","0.1662","","","","","","1.026","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117506","20.0757","0.0011","36.4581","0.0012","27.2538","0.0009","90","","98.715","0.004","90","","19717.3","1.4","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H458 Cl24 Dy42 Ni10 O410 -","- C72 H143 Cl24 Dy42 Ni10 O294 -","- C144 H286 Cl48 Dy84 Ni20 O588 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1246","0.0667","","","0.1401","0.1512","","","","","","1.005","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117507","10.5462","0.0003","10.5462","0.0003","24.2854","0.0016","90","","90","","120","","2339.2","0.18","110","","110","","","","","","","","","4","P 32","P 32","145","","","","- C28 H58 P4 Ru -","- C28 H58 P4 Ru -","- C84 H174 P12 Ru3 -","3","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0293","0.0268","","","0.0583","0.0595","","","","","","1.056","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117508","10.4095","0.0013","14.9482","0.0019","26.671","0.003","90","","90","","90","","4150.1","0.9","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H72 P4 Ru -","- C42 H72 P4 Ru -","- C168 H288 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.029","0.0276","","","0.067","0.0675","","","","","","1.155","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117509","10.4162","0.0013","14.9533","0.0009","26.769","0.011","90","","90","","90","","4169.4","1.8","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H72 P4 Ru -","- C42 H72 P4 Ru -","- C168 H288 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.049","0.0452","","","0.1067","0.109","","","","","","1.093","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117510","10.7597","0.0006","17.135","0.001","20.224","0.0011","90","","105.116","0.001","90","","3599.6","0.4","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H68 P4 Ru Si -","- C32 H68 P4 Ru Si -","- C128 H272 P16 Ru4 Si4 -","4","2","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0342","0.0309","","","0.0655","0.0673","","","","","","1.034","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117511","10.8954","0.0006","18.2414","0.0009","18.2696","0.0009","90","","90","","90","","3631","0.3","110","0.2","110","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 P4 Ru Si -","- C34 H64 P4 Ru Si -","- C136 H256 P16 Ru4 Si4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.031","0.0275","","","0.0561","0.0578","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117512","11.2756","0.0004","17.8651","0.0005","11.2779","0.0005","90","","116.017","0.005","90","","2041.6","0.16","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H68 P4 Ru Si -","- C40 H68 P4 Ru Si -","- C80 H136 P8 Ru2 Si2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0331","0.0307","","","0.0781","0.0805","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117513","11.6044","0.0003","16.5646","0.0002","12.0137","0.0003","90","","118.031","0.003","90","","2038.4","0.1","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H64 P4 Ru Si -","- C42 H64 P4 Ru Si -","- C84 H128 P8 Ru2 Si2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0307","0.0273","","","0.0584","0.06","","","","","","1.015","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117514","10.09766","0.00017","18.0979","0.0003","20.9211","0.0003","90","","90","","90","","3823.26","0.11","110","2","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H69 B O2 P4 Ru -","- C34 H69 B O2 P4 Ru -","- C136 H276 B4 O8 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0289","0.0249","","","0.0524","0.054","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117515","10.2481","0.0003","17.7037","0.0005","19.8698","0.0005","90","","90","","90","","3604.96","0.17","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 P4 Ru -","- C38 H60 P4 Ru -","- C152 H240 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0281","0.0251","","","0.0526","0.0538","","","","","","1.058","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117516","10.2545","0.0014","17.707","0.002","19.889","0.003","90","","90","","90","","3611.4","0.8","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 P4 Ru -","- C38 H60 P4 Ru -","- C152 H240 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0284","0.0242","","","0.0545","0.0562","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117517","12.52495","0.00014","12.65101","0.00013","12.52993","0.00013","90","","92.9129","0.001","90","","1982.84","0.04","110","","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H57 F5 P4 Ru -","- C42 H57 F5 P4 Ru -","- C84 H114 F10 P8 Ru2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0278","0.0257","","","0.053","0.0541","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117518","11.60235","0.00014","13.80119","0.00014","19.8946","0.0002","90","","90","","90","","3185.65","0.06","110","","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H56 Cl2 P4 Ru -","- C28 H56 Cl2 P4 Ru -","- C112 H224 Cl8 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0366","0.0317","","","0.0556","0.0576","","","","","","1.014","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117519","9.666","0.003","11.403","0.002","15.665","0.004","73.02","0.02","89.56","0.02","75.84","0.02","1597.4","0.7","110","","110","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H57 Br P4 Ru -","- C28 H57 Br P4 Ru -","- C56 H114 Br2 P8 Ru2 -","2","2","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0336","0.0296","","","0.0532","0.0551","","","","","","1.016","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117520","19.562","0.012","20.298","0.013","7.523","0.005","90","","90","","90","","2987","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dithiophene-benzothiazole","Me2T-BT","","- C16 H12 N2 S3 -","- C16 H12 N2 S3 -","- C128 H96 N16 S24 -","8","1","","Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya","Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer","Journal of the American Chemical Society","2012","134","","3498","3507","10.1021/ja210687r","","","0.7107","MoKα","","0.0842","0.0599","","","0.1463","0.1656","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117521","11.7955","0.0015","8.5619","0.0009","18.814","0.002","90","","106.722","0.0013","90","","1819.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Me2T-NTz","Me2T-NTz","","- C20 H12 N4 S4 -","- C20 H12 N4 S4 -","- C80 H48 N16 S16 -","4","0.5","","Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya","Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer","Journal of the American Chemical Society","2012","134","","3498","3507","10.1021/ja210687r","","","0.7107","MoKα","","0.0499","0.0398","","","0.1043","0.1123","","","","","","0.745","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117522","7.6205","0.0003","21.0602","0.001","9.6221","0.0003","90","","91.877","0.002","90","","1543.42","0.11","150","1","150","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 Br2 Te -","- C16 H12 Br2 Te -","- C64 H48 Br8 Te4 -","4","2","","Theresa M. McCormick; Ashlee A. Jahnke; Alan J. Lough; Dwight S. Seferos","Tellurophenes with Delocalized π-Systems and Their Extended Valence Adducts","Journal of the American Chemical Society","2012","134","","3542","3548","10.1021/ja210763n","","","0.71073","MoKα","","0.0928","0.0507","","","0.1105","0.1325","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117523","11.3815","0.0004","20.0676","0.0007","29.4371","0.0011","90","","98.782","0.002","90","","6644.6","0.4","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50.65 H55.86 N10.55 O13.55 Zn2 -","- C50.656 H55.864 N10.552 O13.552 Zn2 -","- C202.624 H223.456 N42.208 O54.208 Zn8 -","4","1","","John M. Roberts; Branden M. Fini; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp; Karl A. Scheidt","Urea Metal-Organic Frameworks as Effective and Size-Selective Hydrogen-Bond Catalysts","Journal of the American Chemical Society","2012","134","","3334","3337","10.1021/ja2108118","","","1.54184","CuKα","","0.1417","0.1303","","","0.3333","0.3435","","","","","","1.085","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117524","12.501","0.0007","8.0411","0.0005","16.9607","0.0008","90","","104.235","0.003","90","","1652.57","0.16","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0663","0.0467","","","0.1216","0.1312","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117525","20.9617","0.001","12.1499","0.0006","15.6024","0.0012","90","","132.142","0.001","90","","2946.4","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cl O4 -","- C16 H17 Cl O4 -","- C128 H136 Cl8 O32 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0344","0.0286","","","0.0718","0.0758","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117526","20.8718","0.0005","12.2563","0.0003","15.6088","0.0004","90","","131.512","0.002","90","","2989.95","0.16","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C128 H136 Br8 O32 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0289","0.0258","","","0.0639","0.0653","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117527","18.0165","0.0011","7.1641","0.0005","16.509","0.0013","90","","113.92","0.004","90","","1947.8","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C92 H96 O24 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.1294","0.0524","","","0.1031","0.1253","","","","","","0.879","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117528","11.075","0.002","12.387","0.003","12.712","0.003","90","","103.418","0.005","90","","1696.3","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0589","0.0453","","","0.1262","0.1332","","","","","","1.067","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117529","14.7367","0.0004","7.3238","0.0002","30.8713","0.0008","90","","90","","90","","3331.9","0.15","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C144 H176 O56 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.095","0.0411","","","0.0764","0.0879","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117530","10.5434","0.0011","11.0635","0.0019","14.3107","0.0011","104.502","0.002","97.703","0.002","99.046","0.004","1569.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 N4 Ru S4 -","- C72.156 H76.156 N4 Ru S4 -","- C72.156 H76.156 N4 Ru S4 -","1","0.5","","Júlio S. Rebouças; Brian O. Patrick; Brian R. James","Thiol, Disulfide, and Trisulfide Complexes of Ru Porphyrins: Potential Models for Iron-Sulfur Bonds in Heme Proteins","Journal of the American Chemical Society","2012","134","","3555","3570","10.1021/ja211226e","","","0.71069","MoKα","","0.047","0.0388","","","0.1005","0.1047","","","","","","1.09","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117531","21.4069","0.0012","10.5671","0.0007","21.9699","0.0012","90","","101.18","0.0018","90","","4875.5","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl N O4 -","- C27 H28 Cl N O4 -","- C216 H224 Cl8 N8 O32 -","8","2","","Yoshihiro Miyake; Kazunari Nakajima; Yoshiaki Nishibayashi","Visible-Light-Mediated Utilization of α-Aminoalkyl Radicals: Addition to Electron-Deficient Alkenes Using Photoredox Catalysts","Journal of the American Chemical Society","2012","134","","3338","3341","10.1021/ja211770y","","","0.71075","MoKα","","","0.0869","","","","0.1399","","","","","","1","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117532","5.202475","0.000004","5.202475","","14.01449","0.00011","90","","90","","120","","328.494","0.003","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe0.33 O Sc0.33 -","- Fe0.333333 O Sc0.333333 -","- Fe6 O18 Sc6 -","18","1","","Man-Rong Li; Umut Adem; Sean R. C. McMitchell; Zhongling Xu; Chris I. Thomas; John E. Warren; Duong V. Giap; Hongjun Niu; Xinming Wan; Robert G. Palgrave; Florian Schiffmann; Furio Cora; Ben Slater; Tim L. Burnett; Markys G. Cain; Artem M. Abakumov; Gustaaf van Tendeloo; Michael F. Thomas; Matthew J. Rosseinsky; John B. Claridge","A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature","Journal of the American Chemical Society","2012","134","","3737","3747","10.1021/ja208395z","powder diffraction","neutron","","","","","","","","","","0.0982","","1.03","","","","","","","has coordinates,has Fobs","178946","2020-10-21","18:00:00",""
"4117533","5.202432","0.000007","5.202446","0.000007","14.0145","0.00011","90","","90","","119.999","","328.494","0.003","","","","","","","","","","","","1","P 1","P 1","1","","","","- Fe6 -","- Fe6 -","- Fe6 -","1","1","","Man-Rong Li; Umut Adem; Sean R. C. McMitchell; Zhongling Xu; Chris I. Thomas; John E. Warren; Duong V. Giap; Hongjun Niu; Xinming Wan; Robert G. Palgrave; Florian Schiffmann; Furio Cora; Ben Slater; Tim L. Burnett; Markys G. Cain; Artem M. Abakumov; Gustaaf van Tendeloo; Michael F. Thomas; Matthew J. Rosseinsky; John B. Claridge","A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature","Journal of the American Chemical Society","2012","134","","3737","3747","10.1021/ja208395z","powder diffraction","neutron","","","","","","","","","","0.0982","","1.03","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4117534","12.3629","0.0001","12.4197","0.0001","22.4555","0.0003","96.057","0.001","90.322","0.001","104.885","0.001","3311.67","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 Ga10 N6 O S17 -","- C42 H58 Ga10 N6 O S17 -","- C84 H116 Ga20 N12 O2 S34 -","2","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.0381","0.0256","","","0.0529","0.0577","","","","","","1.031","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117535","21.7073","0.0001","21.7073","0.0001","28.5686","0.0003","90","","90","","120","","11658.2","0.14","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H27 Ga10 N9 O3 S16 -","- C21 H27 Ga10 N9 O3 S16 -","- C126 H162 Ga60 N54 O18 S96 -","6","0.333333","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1097","0.0892","","","0.2905","0.3203","","","","","","1.093","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117536","15.2866","0.0004","30.0105","0.0007","20.3917","0.0004","90","","110.852","0.001","90","","8742.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H In10 N O9.09 S16 -","- C14.7273 H21.8182 In3.63636 N3.63636 S5.81818 -","- C162 H240 In40 N40 S64 -","11","2.75","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1231","0.0828","","","0.2398","0.2746","","","","","","1.08","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117537","19.3156","0.0004","32.7633","0.0008","23.1691","0.0005","90","","114.135","0.001","90","","13380.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cd4 In16 N8 S31 -","- C28 H48 Cd4 In16 N8 S31 -","- C112 H192 Cd16 In64 N32 S124 -","4","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1603","0.0851","","","0.2769","0.3445","","","","","","1.026","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117538","21.8413","0.0002","21.8413","0.0002","36.2785","0.0007","90","","90","","90","","17306.4","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C70 H120 Cd4 In16 N20 S31 -","- C70 H120 Cd4 In16 N20 S31 -","- C280 H480 Cd16 In64 N80 S124 -","4","0.25","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1409","0.0714","","","0.2314","0.3224","","","","","","1.072","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117539","28.0877","0.0004","28.0877","0.0004","26.7025","0.0004","90","","90","","90","","21066.1","0.5","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C40 Cd13 In22 N4 S52 -","- C40 Cd13 In22 N4 S52 -","- C160 Cd52 In88 N16 S208 -","4","0.125","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.2824","0.1946","","","0.4616","0.6185","","","","","","0.974","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117540","28.0877","0.0004","28.0877","0.0004","26.7025","0.0004","90","","90","","90","","21066.1","0.5","150","2","150","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Cd13 In22 N4 S52 -","- Cd13 In22 N4 S52 -","- Cd52 In88 N16 S208 -","4","0.125","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1591","0.1238","","","0.3497","0.3751","","","","","","1.063","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117541","17.5175","0.0005","17.6943","0.0005","23.4522","0.0007","106.526","0.002","99.634","0.002","98.379","0.002","6725.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Cd4 In16 N8 S31 -","- C30 H45 Cd4 In16 N8 S31 -","- C60 H90 Cd8 In32 N16 S62 -","2","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1685","0.0973","","","0.3085","0.3776","","","","","","1.027","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117542","29.4139","0.0009","51.1644","0.0009","30.5935","0.0012","90","","114.979","0.004","90","","41735","3","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H794 Mo186 Na24 O958 -","- Mo184 Na15.4 O762.4 -","- Mo368 Na30.8 O1524.8 -","2","0.25","","Haralampos N. Miras; Craig J. Richmond; De-Liang Long; Leroy Cronin","Solution-Phase Monitoring of the Structural Evolution of a Molybdenum Blue Nanoring","Journal of the American Chemical Society","2012","134","","3816","3824","10.1021/ja210206z","","","1.54184","CuKα","","0.1132","0.0757","","","0.2068","0.2177","","","","","","0.971","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117543","8.5019","0.0011","20.951","0.003","8.7237","0.0012","90","","110.586","0.002","90","","1454.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0593","0.0398","","","0.0868","0.0955","","","","","","1.016","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117544","8.4721","0.0013","20.89","0.003","8.7019","0.0013","90","","110.65","0.002","90","","1441.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13.2 F3.8 N4 O2 -","- C14 H13.2 F3.8 N4 O2 -","- C56 H52.8 F15.2 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0754","0.0606","","","0.1637","0.1775","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117545","8.436","0.004","20.805","0.011","8.676","0.004","90","","110.68","0.008","90","","1424.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13.4 F3.6 N4 O2 -","- C14 H13.4 F3.6 N4 O2 -","- C56 H53.6 F14.4 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.131","0.0514","","","0.0949","0.11","","","","","","0.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117546","8.8193","0.0017","15.674","0.003","20.839","0.004","90","","90","","90","","2880.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","12% H, 88% F","","- C14 H13.48 F3.52 N4 O2 -","- C14 H13.48 F3.52 N4 O2 -","- C112 H107.84 F28.16 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0674","0.0447","","","0.098","0.1081","","","","","","1.045","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117547","8.7678","0.0007","15.631","0.0012","20.7838","0.0016","90","","90","","90","","2848.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N4 O2 -","- C14 H14 F3 N4 O2 -","- C112 H112 F24 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0487","0.0391","","","0.096","0.1015","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117548","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117549","8.6527","0.0008","15.3511","0.0015","20.396","0.002","90","","90","","90","","2709.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 F N4 O2 -","- C14 H16 F N4 O2 -","- C112 H128 F8 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0682","0.0571","","","0.1314","0.137","","","","","","1.176","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117550","8.6503","0.0008","15.31","0.0014","20.3524","0.0018","90","","90","","90","","2695.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.32 F0.68 N4 O2 -","- C14 H16.32 F0.68 N4 O2 -","- C112 H130.56 F5.44 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0594","0.0541","","","0.1247","0.1278","","","","","","1.139","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117551","8.651","0.004","15.285","0.006","20.327","0.008","90","","90","","90","","2687.9","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.7 F0.4 N4 O2 -","- C14 H16.7 F0.4 N4 O2 -","- C112 H133.6 F3.2 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1129","0.0658","","","0.1425","0.1658","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117552","8.6236","0.0006","15.2101","0.001","20.2137","0.0013","90","","90","","90","","2651.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C112 H136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0476","0.0401","","","0.1008","0.1054","","","","","","1.065","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117553","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117554","8.8962","0.0002","16.1695","0.0004","20.6719","0.0005","90","","90","","90","","2973.59","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27.6 F6.4 N8 O4 -","- C28 H27.6 F6.4 N8 O4 -","- C112 H110.4 F25.6 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1233","0.1056","","","0.3311","0.3467","","","","","","2.786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117555","8.7685","0.0003","15.6827","0.0006","20.2294","0.0009","90","","90","","90","","2781.82","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.11 F0.89 N4 O2 -","- C14 H13 F0.892 N4 O2 -","- C112 H104 F7.136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0859","0.0563","","","0.1328","0.1443","","","","","","1.1","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117556","9.2277","0.0017","9.7367","0.0018","15.016","0.003","104.918","0.004","96.052","0.003","92.312","0.004","1293.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","PIIV48work","","","- C23 H27 Cl2 N5 O6 S -","- C23 H27 Cl2 N5 O6 S -","- C46 H54 Cl4 N10 O12 S2 -","2","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.062","0.0561","","","0.1297","0.1331","","","","","","1.128","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117557","10.744","0.003","11.488","0.003","12.803","0.003","74.91","0.004","82.69","0.004","83.941","0.004","1509","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl4 N5 O6 S -","- C25 H31 Cl4 N5 O6 S -","- C50 H62 Cl8 N10 O12 S2 -","2","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.0729","0.0626","","","0.1581","0.1671","","","","","","1.022","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117558","14.5542","0.0005","11.5548","0.0004","18.0747","0.0007","90","","90","","90","","3039.64","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","work","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C128 H168 N8 O16 S8 -","8","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.0349","0.0321","","","0.0836","0.0858","","","","","","1.067","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117559","11.3728","0.0003","11.56","0.0004","14.2743","0.0005","106.214","0.001","95.5915","0.0008","117.303","0.0008","1544.3","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 F6 Ir N2 O11 S2 -","- C22 H27 F6 Ir N2 O11 S2 -","- C44 H54 F12 Ir2 N4 O22 S4 -","2","1","","Ryoko Kawahara; Ken-ichi Fujita; Ryohei Yamaguchi","Dehydrogenative Oxidation of Alcohols in Aqueous Media Using Water-Soluble and Reusable Cp*Ir Catalysts Bearing a Functional Bipyridine Ligand","Journal of the American Chemical Society","2012","134","","3643","3646","10.1021/ja210857z","","","0.71075","MoKα","","","0.0328","","","","0.0573","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117560","23.206","0.005","29.202","0.002","31.76","0.002","90","","90","","90","","21523","5","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C114 H112 Cl6 Lu N16 S8 -","- C114 H112 Cl6 Lu N16 S8 -","- C912 H896 Cl48 Lu8 N128 S64 -","8","0.25","","Mehmet Menaf Ayhan; Anu Singh; Catherine Hirel; Ayşe Gül Gürek; Vefa Ahsen; Erwann Jeanneau; Isabelle Ledoux-Rak; Joseph Zyss; Chantal Andraud; Yann Bretonnière","ABAB Homoleptic Bis(phthalocyaninato)lutetium(III) Complex: Toward the Real Octupolar Cube and Giant Quadratic Hyperpolarizability","Journal of the American Chemical Society","2012","134","","3655","3658","10.1021/ja211064a","","","0.7107","MoKα","","0.0716","0.0591","","0.1704","0.1461","0.1704","","","","","","0.9565","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117561","11.045","0.008","11.045","0.008","8.163","0.006","90","","90","","90","","995.8","1.3","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C20 H16 Cu F6 N4 Si -","- C20 H16 Cu F6 N4 Si -","- C20 H16 Cu F6 N4 Si -","1","0.0625","","Stephen D. Burd; Shengqian Ma; Jason A. Perman; Benjamin J. Sikora; Randall Q. Snurr; Praveen K. Thallapally; Jian Tian; Lukasz Wojtas; Michael J. Zaworotko","Highly Selective Carbon Dioxide Uptake by [Cu(bpy-n)2(SiF6)] (bpy-1 = 4,4'-Bipyridine; bpy-2 = 1,2-Bis(4-pyridyl)ethene)","Journal of the American Chemical Society","2012","134","","3663","3666","10.1021/ja211340t","","","0.41328","synchrotron","","0.0466","0.0451","","","0.1355","0.1363","","","","","","1.086","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117562","18.8471","0.0011","18.8471","0.0011","7.9975","0.0005","90","","90","","90","","2840.8","0.3","100","2","100","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C24 H20 Cu F6 N4 Si -","- C24 H20 Cu F6 N4 Si -","- C48 H40 Cu2 F12 N8 Si2 -","2","0.125","","Stephen D. Burd; Shengqian Ma; Jason A. Perman; Benjamin J. Sikora; Randall Q. Snurr; Praveen K. Thallapally; Jian Tian; Lukasz Wojtas; Michael J. Zaworotko","Highly Selective Carbon Dioxide Uptake by [Cu(bpy-n)2(SiF6)] (bpy-1 = 4,4'-Bipyridine; bpy-2 = 1,2-Bis(4-pyridyl)ethene)","Journal of the American Chemical Society","2012","134","","3663","3666","10.1021/ja211340t","","","1.54178","CuKα","","0.0722","0.0686","","","0.193","0.1956","","","","","","1.089","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117563","8.7173","0.0004","8.5002","0.0003","9.0429","0.0003","90","","96.081","0.002","90","","666.3","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Correction to Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2012","134","","3932","3932","10.1021/ja211731p","","","0.71073","MoKα","","0.0396","0.0349","","","0.0958","0.0996","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117564","8.7323","0.0004","13.4187","0.0006","11.3803","0.0005","90","","101.992","0.001","90","","1304.4","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0397","0.038","","","0.0991","0.1009","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117565","18.3527","0.0008","7.6789","0.0004","16.5549","0.0008","90","","90","","90","","2333.06","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H23 Cl N4 O5 -","- C26 H23 Cl N4 O5 -","- C104 H92 Cl4 N16 O20 -","4","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0527","0.0424","","","0.0912","0.0962","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117566","17.207","0.003","7.2719","0.0012","18.428","0.003","90","","90","","90","","2305.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C104 H96 N16 O24 -","8","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0805","0.0454","","","0.0793","0.0868","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117567","10.2686","0.0006","10.9392","0.0007","11.3165","0.0006","97.256","0.001","116.195","0.001","102.462","0.001","1077.56","0.11","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C60 H52 N4 -","2","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.0747","0.0492","","","0.1301","0.1583","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117568","12.1452","0.0004","19.8949","0.0007","9.0046","0.0003","90","","90.59","0.002","90","","2175.64","0.13","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C120 H104 N8 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.0654","0.0458","","","0.1174","0.137","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117569","9.8508","0.0003","19.2961","0.0006","10.3465","0.0003","90","","101.119","0.001","90","","1929.77","0.1","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 -","- C27 H26 N2 -","- C108 H104 N8 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.054","0.0424","","","0.1126","0.1258","","","","","","1.09","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117570","18.3248","0.0009","15.0664","0.0008","16.5116","0.0008","90","","112.927","0.003","90","","4198.5","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 -","- C28 H28 N2 -","- C224 H224 N16 -","8","2","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.1113","0.0755","","","0.1884","0.2267","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117571","25.0228","0.0014","8.3677","0.0004","6.5763","0.0004","90","","90","","90","","1376.97","0.13","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C60 H64 N8 O4 S4 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.034","0.0303","","","0.0842","0.1","","","","","","1.174","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117572","12.05","0.002","15.207","0.003","17.854","0.004","102.894","0.003","96.042","0.003","100.331","0.003","3101.2","1.1","123.1","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H52 Cl4 Co N8 -","- C82 H52 Cl4 Co N8 -","- C164 H104 Cl8 Co2 N16 -","2","1","","Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi","Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine","Journal of the American Chemical Society","2012","134","","4196","4206","10.1021/ja209978q","","","0.7107","MoKα","","","0.0735","","","","0.2006","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117573","14.798","0.0011","21.3174","0.0016","27.914","0.003","90","","90","","90","","8805.6","1.3","123.1","","123.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C115 H89 Cl2 Co N8 -","- C115 H89 Cl2 Co N8 -","- C460 H356 Cl8 Co4 N32 -","4","1","","Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi","Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine","Journal of the American Chemical Society","2012","134","","4196","4206","10.1021/ja209978q","","","0.7107","MoKα","","","0.0446","","","","0.0949","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117574","9.8119","0.0004","12.8887","0.0011","14.0085","0.0013","102.693","0.004","95.542","0.004","106.709","0.004","1630.9","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H13 B F15 P -","- C33 H13 B F15 P -","- C66 H26 B2 F30 P2 -","2","1","","Thomas Wiegand; Hellmut Eckert; Olga Ekkert; Roland Fröhlich; Gerald Kehr; Gerhard Erker; Stefan Grimme","New Insights into Frustrated Lewis Pairs: Structural Investigations of Intramolecular Phosphane-Borane Adducts by Using Modern Solid-State NMR Techniques and DFT Calculations","Journal of the American Chemical Society","2012","134","","4236","4249","10.1021/ja210160k","","","1.54178","CuKα","","0.056","0.0466","","","0.1289","0.1367","","","","","","1.039","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117575","7.6025","0.0008","15.0667","0.0017","10.5922","0.001","90","","90","","90","","1213.3","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N Se2 -","- C13 H11 N Se2 -","- C52 H44 N4 Se8 -","4","1","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0507","0.04","","","0.1018","0.1114","","","","","","0.798","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117576","10.8085","0.0011","11.5763","0.0011","10.5415","0.001","90","","93.079","0.004","90","","1317.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N Se2 -","- C14 H13 N Se2 -","- C56 H52 N4 Se8 -","4","1","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0818","0.0406","","","0.1124","0.1395","","","","","","0.806","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117577","7.9434","0.0007","8.0334","0.0008","19.9028","0.0019","80.665","0.006","80.049","0.006","82.737","0.007","1228","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H10.5 N O S Se -","- C13 H12 N S Se -","- C52 H48 N4 S4 Se4 -","4","4","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.2531","0.0655","","","0.1275","0.1917","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117578","9.0033","0.0015","10.0187","0.0014","14.811","0.0019","74.78","0.008","82.647","0.009","89.84","","1277.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N Se2 -","- C12.995 H13 N Se2 -","- C51.98 H52 N4 Se8 -","4","2","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0558","0.0558","","","0.1564","0.1564","","","","","","1.099","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117579","9.9484","0.0008","20.9541","0.0017","19.5857","0.0016","90","","104.256","0.001","90","","3957.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Eu2 N O24 -","- C33 H29 Eu2 N O23.99 -","- C132 H116 Eu8 N4 O95.96 -","4","1","","Yuanjing Cui; Hui Xu; Yanfeng Yue; Zhiyong Guo; Jiancan Yu; Zhenxia Chen; Junkuo Gao; Yu Yang; Guodong Qian; Banglin Chen","A Luminescent Mixed-Lanthanide Metal-Organic Framework Thermometer","Journal of the American Chemical Society","2012","134","","3979","3982","10.1021/ja2108036","","","0.71073","MoKα","","0.0443","0.0362","","","0.1025","0.1264","","","","","","1.123","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117580","9.9094","0.0012","20.885","0.003","19.509","0.002","90","","104.274","0.002","90","","3912.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 N O24 Tb2 -","- C33 H29 N O23.99 Tb2 -","- C132 H116 N4 O95.96 Tb8 -","4","1","","Yuanjing Cui; Hui Xu; Yanfeng Yue; Zhiyong Guo; Jiancan Yu; Zhenxia Chen; Junkuo Gao; Yu Yang; Guodong Qian; Banglin Chen","A Luminescent Mixed-Lanthanide Metal-Organic Framework Thermometer","Journal of the American Chemical Society","2012","134","","3979","3982","10.1021/ja2108036","","","0.71073","MoKα","","0.0436","0.037","","","0.0804","0.085","","","","","","1.06","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117581","14.1583","0.0019","10.1383","0.0014","17.04","0.002","90","","109.332","0.002","90","","2308","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 F6 O11 S2 Sn -","- C12 H22 F6 O11 S2 Sn -","- C48 H88 F24 O44 S8 Sn4 -","4","1","","Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber","Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands","Journal of the American Chemical Society","2012","134","","4332","4345","10.1021/ja211135s","","","0.71073","MoKα","","0.0987","0.07","","","0.122","0.1325","","","","","","1.198","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117582","8.7518","0.0008","16.127","0.0014","14.8106","0.0013","90","","101.022","0.001","90","","2051.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 F6 O10 S2 Sn -","- C10 H18 F6 O10 S2 Sn -","- C40 H72 F24 O40 S8 Sn4 -","4","1","","Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber","Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands","Journal of the American Chemical Society","2012","134","","4332","4345","10.1021/ja211135s","","","0.71073","MoKα","","0.0521","0.0395","","","0.0954","0.1114","","","","","","1.133","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117583","33.975","0.003","33.975","0.003","33.975","0.003","90","","90","","90","","39217","6","188","2","188","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C27.5 H26.5 In N1.5 O9.5 -","- C20 H10 In O8 -","- C960 H480 In48 O384 -","48","1","","Dorina F. Sava; Lauren E. S. Rohwer; Mark A. Rodriguez; Tina M. Nenoff","Intrinsic Broad-Band White-Light Emission by a Tuned, Corrugated Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","3983","3986","10.1021/ja211230p","","","0.71073","MoKα","","0.1118","0.0691","","","0.2242","0.2664","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117584","21.1293","0.0011","16.4835","0.001","24.969","0.0015","90","","92.76","0.003","90","","8686.2","0.9","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C56 H24 N13 O22.5 Ru2 Zn5 -","- C56 H24 N13 O22.5 Ru2 Zn5 -","- C224 H96 N52 O90 Ru8 Zn20 -","4","1","","Caleb A. Kent; Demin Liu; Thomas J. Meyer; Wenbin Lin","Amplified Luminescence Quenching of Phosphorescent Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","3991","3994","10.1021/ja211271m","","","1.54178","CuKα","","0.1486","0.0856","","","0.1957","0.2145","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117585","19.543","0.002","7.6021","0.0009","19.03","0.003","90","","117.214","0.005","90","","2514.3","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H33 N O3 S Si -","- C25 H33 N O3 S Si -","- C100 H132 N4 O12 S4 Si4 -","4","1","","Haejin Kim; Young Ho Rhee","Stereodefined N,O-Acetals: Pd-Catalyzed Synthesis from Homopropargylic Amines and Utility in the Flexible Synthesis of 2,6-Substituted Piperidines","Journal of the American Chemical Society","2012","134","","4011","4014","10.1021/ja2116298","","","0.71073","MoKα","","0.0604","0.0443","","","0.1052","0.1165","","","","","","1.033","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117586","6.3294","0.0005","14.236","0.0012","20.5165","0.0015","90","","90","","90","","1848.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Haejin Kim; Young Ho Rhee","Stereodefined N,O-Acetals: Pd-Catalyzed Synthesis from Homopropargylic Amines and Utility in the Flexible Synthesis of 2,6-Substituted Piperidines","Journal of the American Chemical Society","2012","134","","4011","4014","10.1021/ja2116298","","","0.71073","MoKα","","0.0734","0.0489","","","0.1099","0.1213","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117587","30.495","0.002","12.5164","0.0009","13.3325","0.0012","90","","90","","90","","5088.9","0.7","153","2","153","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C47 H50 F6 Fe N6.5 O9.5 S2 -","- C45 H42 F6 Fe N6.5 O9 S2 -","- C180 H168 F24 Fe4 N26 O36 S8 -","4","1","","Justin M. Dragna; Gennaro Pescitelli; Lee Tran; Vincent M. Lynch; Eric V. Anslyn; Lorenzo Di Bari","In Situ Assembly of Octahedral Fe(II) Complexes for the Enantiomeric Excess Determination of Chiral Amines Using Circular Dichroism Spectroscopy","Journal of the American Chemical Society","2012","134","","4398","4407","10.1021/ja211768v","","","0.71069","MoKα","","0.1689","0.0948","","","0.157","0.1752","","","","","","1.373","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117588","6.5844","0.0007","8.8601","0.001","18.55","0.002","90","","90","","90","","1082.2","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.088","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117589","11.4894","0.0012","15.611","0.002","19.049","0.003","90","","90","","90","","3416.6","0.8","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C144 H180 N12 O36 -","12","3","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0961","0.086","","","0.2082","0.2161","","","","","","1.156","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117590","6.443","0.005","8.274","0.006","10.374","0.007","90","","97.033","0.017","90","","548.9","0.7","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C24 H38 N2 O6 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.1182","0.0952","","","0.2242","0.2557","","","","","","1.008","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117591","6.5505","0.0004","8.8117","0.0005","18.9261","0.0011","90","","90","","90","","1092.43","0.11","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.032","0.0293","","","0.0759","0.0774","","","","","","1.023","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117592","6.7608","0.0003","11.1455","0.0004","21.7524","0.0009","90","","90","","90","","1639.1","0.12","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0268","0.0253","","","0.0626","0.0638","","","","","","1.044","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117593","13.793","0.002","6.1239","0.0009","17.4312","0.0018","90","","90.656","0.005","90","","1472.3","0.3","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 Cl3 N2 O2 -","- C33 H37 Cl3 N2 O2 -","- C66 H74 Cl6 N4 O4 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0745","0.0498","","","0.0994","0.1101","","","","","","1.014","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117594","6.139","0.0004","11.7027","0.0008","12.4248","0.0009","90","","90","","90","","892.63","0.11","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0237","0.0231","","","0.0615","0.0622","","","","","","1.083","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117595","19.5652","0.001","8.0489","0.0005","10.2863","0.0006","90","","92.028","0.002","90","","1618.85","0.16","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H46 N4 O7 -","- C38 H46 N4 O7 -","- C76 H92 N8 O14 -","2","0.5","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0366","0.0326","","","0.0811","0.0833","","","","","","1.003","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117596","8.7006","0.0008","7.1701","0.0006","12.1807","0.0011","90","","107.222","0.005","90","","725.81","0.11","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0709","0.045","","","0.096","0.1057","","","","","","1.009","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117597","10.3226","0.0003","20.8136","0.0006","23.2182","0.0006","91.7591","0.0012","102.708","0.0014","94.3537","0.0015","4846.4","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H138 Ge2 N2 -","- C118 H138 Ge2 N2 -","- C236 H276 Ge4 N4 -","2","1","","Zachary D. Brown; Petra Vasko; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","A Germanium Isocyanide Complex Featuring (n →π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C-H Bond Activation under Mild Conditions","Journal of the American Chemical Society","2012","134","","4045","4048","10.1021/ja211874u","","","1.54178","CuKα","","0.052","0.0456","","","0.1285","0.133","","","","","","1.047","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117598","8.9615","0.0004","10.099","0.0005","23.368","0.0011","80.126","0.001","89.784","0.001","67.889","0.001","1926.01","0.16","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H51 Ge N -","- C49 H51 Ge N -","- C98 H102 Ge2 N2 -","2","1","","Zachary D. Brown; Petra Vasko; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","A Germanium Isocyanide Complex Featuring (n →π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C-H Bond Activation under Mild Conditions","Journal of the American Chemical Society","2012","134","","4045","4048","10.1021/ja211874u","","","0.71073","MoKα","","0.0453","0.0399","","","0.109","0.1126","","","","","","1.047","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117599","23.154","0.0012","14.5068","0.0007","21.9732","0.0011","90","","118.006","0.001","90","","6516.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H40 N4 O9 S -","- C31.5 H40 N4 O9 S -","- C252 H320 N32 O72 S8 -","8","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0619","0.0444","","","0.1108","0.1246","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117600","8.5613","0.0006","14.7639","0.001","20.8596","0.0014","90","","95.554","0.001","90","","2624.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N4 O9 S -","- C25 H32 N4 O9 S -","- C100 H128 N16 O36 S4 -","4","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0691","0.0494","","","0.1265","0.1405","","","","","","1.052","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117601","8.07","0.0006","17.2746","0.0013","20.2723","0.0016","96.16","0.004","90.466","0.005","90.301","0.004","2809.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N4 O9 S -","- C24 H30 N4 O9.5 S -","- C96 H120 N16 O38 S4 -","4","2","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0787","0.0553","","","0.153","0.1641","","","","","","1.057","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117602","8.6058","0.0002","10.5399","0.0002","12.7879","0.0003","83.815","0.001","84.729","0.001","67.359","0.001","1062.69","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N -","- C27 H29 N -","- C54 H58 N2 -","2","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","1.54178","CuKα","","0.0424","0.0404","","","0.1131","0.1154","","","","","","1.046","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117603","8.6491","0.0004","9.9416","0.0004","24.6891","0.0009","90","","90","","90","","2122.91","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N -","- C27 H29 N -","- C108 H116 N4 -","4","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","1.54178","CuKα","","0.0579","0.0456","","","0.1113","0.1176","","","","","","0.977","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117604","33.226","0.003","33.226","0.003","5.1868","0.001","90","","90","","90","","5726.1","1.3","153","2","153","2","","","","","","","","3","I -4","I -4","82","","","","- C38 H41 N6 -","- C35 H34 N6 -","- C280 H272 N48 -","8","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0533","0.0445","","","0.1177","0.1229","","","","","","1.075","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117605","15.214","0.0006","15.826","0.0007","17.815","0.0008","92.132","0.001","112.462","0.001","94.725","0.001","3939.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 Cl3 F6 N6 O4 -","- C40 H37 Cl3 F6 N6 O4 -","- C160 H148 Cl12 F24 N24 O16 -","4","2","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0795","0.0603","","","0.1634","0.1781","","","","","","1.04","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117606","11.111","0.0006","11.692","0.0006","15.214","0.0008","76.939","0.001","83.64","0.001","62.372","0.001","1705.75","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 N6 -","- C42 H50 N6 -","- C84 H100 N12 -","2","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0595","0.0458","","","0.1073","0.1137","","","","","","1.07","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117607","10.865","0.0006","11.485","0.0006","17.7","0.001","97.433","0.002","94.545","0.002","105.234","0.001","2098.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H52 F6 N6 O4 -","- C46 H52 F6 N6 O4 -","- C92 H104 F12 N12 O8 -","2","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.1058","0.0653","","","0.15","0.1696","","","","","","1.044","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117608","9.191","0.0005","9.997","0.0006","13.435","0.0008","78.043","0.002","76.403","0.002","69.467","0.002","1113.02","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H55 Cl6.98 N6 O0.34 -","- C44 H53.66 Cl6.98 N6 O0.34 -","- C44 H53.66 Cl6.98 N6 O0.34 -","1","0.5","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0714","0.053","","","0.1187","0.1278","","","","","","1.071","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117609","12.63","0.0015","16.2","0.0019","12.83","0.0015","90","","105","0.003","90","","2535.6","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl3 N3 O3 S -","- C23 H30 Cl3 N3 O3 S -","- C92 H120 Cl12 N12 O12 S4 -","4","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.052","0.0386","","","0.0907","0.0974","","","","","","1.046","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117610","9.7241","0.0008","14.7348","0.0012","18.8022","0.0015","90","","98.826","0.004","90","","2662.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F15 N -","- C27 H21 B F15 N -","- C108 H84 B4 F60 N4 -","4","1","","Tayseer Mahdi; Zachariah M. Heiden; Stefan Grimme; Douglas W. Stephan","Metal-Free Aromatic Hydrogenation: Aniline to Cyclohexyl-amine Derivatives","Journal of the American Chemical Society","2012","134","","4088","4091","10.1021/ja300228a","","","0.71073","MoKα","","0.0591","0.0361","","","0.0792","0.0898","","","","","","1.007","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117611","12.6342","0.0006","18.1939","0.0008","12.8612","0.0006","90","","90.269","0.002","90","","2956.3","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 B F15 N -","- C30 H25 B F15 N -","- C120 H100 B4 F60 N4 -","4","1","","Tayseer Mahdi; Zachariah M. Heiden; Stefan Grimme; Douglas W. Stephan","Metal-Free Aromatic Hydrogenation: Aniline to Cyclohexyl-amine Derivatives","Journal of the American Chemical Society","2012","134","","4088","4091","10.1021/ja300228a","","","0.71073","MoKα","","0.0486","0.0352","","","0.0866","0.0947","","","","","","1.024","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117612","15.3873","0.0003","15.3873","0.0003","23.2288","0.0004","90","","90","","120","","4763.02","0.15","193","2","193","2","","","","","","","","3","P 32","P 32","145","","","","- C45 H36 O -","- C45 H36 O -","- C270 H216 O6 -","6","2","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0339","0.0326","","","0.0857","0.0865","","","","","","1.224","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117613","15.3425","0.0003","15.367","0.0003","23.8764","0.0004","72.5438","0.0007","81.2377","0.0007","60.1809","0.0008","4659.02","0.16","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H30 Cl2 O -","- C43 H30 Cl2 O -","- C258 H180 Cl12 O6 -","6","6","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0499","0.0414","","","0.102","0.1162","","","","","","1.121","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117614","14.127","0.0003","15.3789","0.0003","17.9513","0.0003","90","","90","","90","","3900.06","0.13","193","2","193","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C57 H44 -","- C57 H44 -","- C228 H176 -","4","1","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0414","0.0402","","","0.1046","0.1067","","","","","","1.143","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117615","8.3652","0.0017","10.028","0.002","14.09","0.003","98.36","0.03","104.82","0.03","109.95","0.03","1038.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl6 N6 O2 S2 -","- C38 H40 Cl6 N6 O2 S2 -","- C38 H40 Cl6 N6 O2 S2 -","1","0.5","","Yali Qiao; Yunlong Guo; Chunmeng Yu; Fengjiao Zhang; Wei Xu; Yunqi Liu; Daoben Zhu","Diketopyrrolopyrrole-Containing Quinoidal Small Molecules for High-Performance, Air-Stable, and Solution-Processable n-Channel Organic Field-Effect Transistors","Journal of the American Chemical Society","2012","134","","4084","4087","10.1021/ja3003183","","","0.71073","MoKα","","0.0917","0.0757","","","0.1626","0.1738","","","","","","1.121","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117616","16.5507","0.0002","20.7091","0.0003","17.0698","0.0002","90","","114.425","0.0011","90","","5327.04","0.13","103","","103","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H84 Si10 -","- C40 H84 Si10 -","- C160 H336 Si40 -","4","0.5","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71073","MoKα","","0.0329","0.0287","","","0.0785","0.0811","","","","","","1.043","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117617","9.4959","0.0001","12.1807","0.0001","13.4345","0.0002","63.754","0.0007","81.2453","0.0006","74.1312","0.0007","1339.72","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H86 Si10 -","- C40 H86 Si10 -","- C40 H86 Si10 -","1","0.5","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71073","MoKα","","0.0429","0.035","","","0.1056","0.1114","","","","","","1.026","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117618","12.692","0.003","12.756","0.002","19.255","0.004","73.449","0.01","76.985","0.01","65.272","0.008","2694","1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H84 Si10 -","- C40 H84 Si10 -","- C80 H168 Si20 -","2","1","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71075","MoKα","","0.0507","0.0434","","","0.1112","0.1205","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117619","12.622","0.003","5.2414","0.0014","22.052","0.006","90","","93.864","0.003","90","","1455.6","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N O15 S -","- C25 H37 N O15 S -","- C50 H74 N2 O30 S2 -","2","1","","Jessica R. Kramer; Timothy J. Deming","Glycopolypeptides with a Redox-Triggered Helix-to-Coil Transition","Journal of the American Chemical Society","2012","134","","4112","4115","10.1021/ja3007484","","","0.71073","MoKα","","0.0934","0.0659","","","0.168","0.1826","","","","","","1.07","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117620","6.9154","0.0002","6.9154","0.0002","8.1399","0.0004","90","","90","","120","","337.12","0.02","300","","300","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.028","0.0259","","0.0654","0.0619","0.0654","","","","","","0.8527","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117621","6.8904","0.0002","6.8904","0.0002","8.1649","0.0004","90","","90","","120","","335.71","0.02","250","","250","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0287","0.0267","","0.0694","0.0638","0.0694","","","","","","0.9169","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117622","6.866","0.0002","6.866","0.0002","8.1895","0.0004","90","","90","","120","","334.35","0.02","200","","200","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0257","0.0242","","0.0599","0.0583","0.0599","","","","","","0.8782","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117623","6.8431","0.0002","6.8431","0.0002","8.2137","0.0004","90","","90","","120","","333.1","0.02","150","","150","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0239","0.0237","","0.0598","0.057","0.0598","","","","","","0.9461","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117624","6.8214","0.0002","6.8214","0.0002","8.2353","0.0004","90","","90","","120","","331.86","0.02","100","","100","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0178","0.0178","","0.042","0.042","0.042","","","","","","0.9328","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117625","16.9929","0.0009","7.3879","0.0004","17.139","0.0009","90","","95.18","0.003","90","","2142.9","0.2","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Hsien-Chun Lo; Ruth Entwistle; Chun-Jun Guo; Manmeet Ahuja; Edyta Szewczyk; Jui-Hsiang Hung; Yi-Ming Chiang; Berl R. Oakley; Clay C. C. Wang","Two Separate Gene Clusters Encode the Biosynthetic Pathway for the Meroterpenoids Austinol and Dehydroaustinol in Aspergillus nidulans","Journal of the American Chemical Society","2012","134","","4709","4720","10.1021/ja209809t","","","0.71073","MoKα","","0.0407","0.0361","","","0.0561","0.0565","","","","","","1.977","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117626","13.2022","0.0002","7.6135","0.0001","31.0128","0.0005","90","","99.863","0.001","90","","3071.18","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 F6 Mg N2 O8 -","- C29 H24 F6 Mg N2 O8 -","- C116 H96 F24 Mg4 N8 O32 -","4","1","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.065","0.0464","","","0.1189","0.132","","","","","","1.035","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117627","7.3064","0.0002","32.6024","0.001","12.5442","0.0004","90","","90","","90","","2988.11","0.16","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C29 H24 F6 Mg N2 O8 -","- C29 H24 F6 Mg N2 O8 -","- C116 H96 F24 Mg4 N8 O32 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0548","0.046","","","0.1261","0.1329","","","","","","1.055","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117628","45.303","0.0008","10.6226","0.0002","8.8701","0.0002","90","","90.215","0.001","90","","4268.58","0.15","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H26 F12 Mg N2 O8 -","- C46 H26 F12 Mg N2 O8 -","- C184 H104 F48 Mg4 N8 O32 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0409","0.0352","","","0.0926","0.0969","","","","","","1.03","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117629","9.3105","0.0003","26.894","0.0008","11.2146","0.0003","90","","90","","90","","2808.1","0.14","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C29 H20 F6 Mg N2 O6 -","- C29 H20 F6 Mg N2 O6 -","- C116 H80 F24 Mg4 N8 O24 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0654","0.0634","","","0.143","0.1452","","","","","","1.16","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117630","20.9727","0.0005","9.3428","0.0002","27.9724","0.0006","90","","90","","90","","5481","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H18 F6 Mg N2 O5 -","- C29 H18 F6 Mg N2 O5 -","- C232 H144 F48 Mg8 N16 O40 -","8","1","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0425","0.0305","","","0.0724","0.0789","","","","","","1.052","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117631","8.5265","0.0008","15.0901","0.0014","18.2616","0.0017","90","","90","","90","","2349.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 N O2 P -","- C30 H24 N O2 P -","- C120 H96 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0542","0.0435","","","0.0888","0.0927","","","","","","0.974","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117632","8.819","0.002","15.267","0.004","9.468","0.002","90","","104.101","0.005","90","","1236.4","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N O2 P -","- C31 H26 N O2 P -","- C62 H52 N2 O4 P2 -","2","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0501","0.045","","","0.1034","0.1062","","","","","","1.003","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117633","8.2558","0.0007","13.4291","0.0011","19.6028","0.0015","90","","90","","90","","2173.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N O2 P -","- C26 H24 N O2 P -","- C104 H96 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0557","0.052","","","0.1466","0.1505","","","","","","1.044","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117634","16.03","0.003","18.438","0.004","8.0032","0.0016","90","","90","","90","","2365.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H28 N O2 P -","- C29 H28 N O2 P -","- C116 H112 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0579","0.049","","","0.1119","0.1159","","","","","","1.066","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117635","11.5909","0.0012","12.9494","0.0013","17.5333","0.0017","96.829","0.002","95.085","0.002","109.859","0.001","2434","0.4","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H59 Cl2 F3 Ir N O5 P S -","- C52 H59 Cl2 F3 Ir N O5 P S -","- C104 H118 Cl4 F6 Ir2 N2 O10 P2 S2 -","2","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0538","0.0418","","","0.1128","0.1213","","","","","","0.929","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117636","22.8013","0.0019","11.9886","0.001","17.5732","0.0015","90","","93.3","0.001","90","","4795.8","0.7","133","2","133","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 Cl2 F3 Ir N O5 P S -","- C55 H52 Cl2 F3 Ir N O5 P S -","- C220 H208 Cl8 F12 Ir4 N4 O20 P4 S4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.08","0.0383","","","0.0914","0.112","","","","","","1.011","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117637","11.25","0.002","20.725","0.004","21.178","0.004","90","","97.717","0.003","90","","4893.1","1.6","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49.75 H52.5 Cl3.5 F6 Ir N O2 P Sb -","- C49.75 H48 Cl3.5 F6 Ir N O2 P Sb -","- C199 H192 Cl14 F24 Ir4 N4 O8 P4 Sb4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0865","0.0556","","","0.1454","0.1651","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117638","5.824","0.0006","12.8616","0.0012","20.943","0.002","90","","90","","90","","1568.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","07159a","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C64 H80 Cl4 N4 O8 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","0.71073","MoKα","","0.0414","0.0335","","","0.0729","0.0765","","","","","","1.061","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117639","9.8098","0.0002","10.8229","0.0002","17.5387","0.0003","90","","90","","90","","1862.09","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C80 H72 N8 O16 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","1.54178","CuKα","","0.0328","0.0304","","","0.0796","0.0812","","","","","","1.074","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117640","8.9014","0.0002","11.7597","0.0002","17.7704","0.0004","90","","90","","90","","1860.17","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","1.54178","CuKα","","0.0259","0.0252","","","0.0662","0.0666","","","","","","1.045","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117641","7.7604","0.0013","9.8685","0.0017","18.125","0.003","90","","114.522","0.006","90","","1262.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 N8 O8 S4 -","- C52 H48 N8 O8 S4 -","- C52 H48 N8 O8 S4 -","1","0.25","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","0.71073","MoKα","","0.0443","0.036","","","0.0916","0.0966","","","","","","1.057","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117642","27.6862","0.0013","27.7671","0.0013","13.9934","0.0007","90","","90","","90","","10757.6","0.9","150","2","150","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C96 H66 Cu6 I12 N8 O18 -","- C96 H66 Cu6 I12 N8 O18 -","- C384 H264 Cu24 I48 N32 O72 -","4","1","","Zheng Yin; Qiang-Xin Wang; Ming-Hua Zeng","Iodine Release and Recovery, Influence of Polyiodide Anions on Electrical Conductivity and Nonlinear Optical Activity in an Interdigitated and Interpenetrated Bipillared-Bilayer Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","4857","4863","10.1021/ja211381e","","","0.71073","MoKα","","0.1077","0.103","","","0.2898","0.295","","","","","","1.236","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117643","37.1296","0.0008","36.288","0.0007","37.2869","0.0007","90","","92.074","0.002","90","","50205.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C216 H408 Ge24 N48 Se132 Sn36 -","- C189 H357 Ge24 N42 Se132 Sn36 -","- C756 H1428 Ge96 N168 Se528 Sn144 -","4","1","","Yumei Lin; Werner Massa; Stefanie Dehnen","""Zeoball"" [Sn36Ge24Se132]24-: A Molecular Anion with Zeolite-Related Composition and Spherical Shape","Journal of the American Chemical Society","2012","134","","4497","4500","10.1021/ja2115635","","","0.71073","MoKα","","0.1875","0.078","","","0.1449","0.1718","","","","","","0.911","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117644","24.3196","0.0011","24.4009","0.0009","26.7435","0.001","115.848","0.003","97.969","0.003","108.901","0.003","12761.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H360 Ge27.49 N48 Se132 Sn32.51 -","- C192 H360 Ge27.494 N48 Se132 Sn32.506 -","- C192 H360 Ge27.494 N48 Se132 Sn32.506 -","1","0.5","","Yumei Lin; Werner Massa; Stefanie Dehnen","""Zeoball"" [Sn36Ge24Se132]24-: A Molecular Anion with Zeolite-Related Composition and Spherical Shape","Journal of the American Chemical Society","2012","134","","4497","4500","10.1021/ja2115635","","","0.71073","MoKα","","0.2422","0.0636","","","0.0952","0.1254","","","","","","0.741","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117645","6.2741","0.001","6.2741","0.001","5.4944","0.0009","90","","90","","90","","216.28","0.06","295","2","295","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0326","0.0277","","","0.056","0.0574","","","","","","1.128","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117646","6.2638","0.001","6.2638","0.001","5.5082","0.0009","90","","90","","90","","216.12","0.06","173","2","173","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0284","0.0223","","","0.0499","0.0511","","","","","","1.223","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117647","6.249","0.0009","6.249","0.0009","5.5104","0.0008","90","","90","","90","","215.18","0.05","110","2","110","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0223","0.0214","","","0.0483","0.0485","","","","","","1.209","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117648","13.8677","0.0002","13.9904","0.0002","17.9662","0.0002","98.9897","0.0005","102.076","0.0005","94.9361","0.0006","3341.16","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H63 B F25 P2 Rh -","- C63 H63 B F25 P2 Rh -","- C126 H126 B2 F50 P4 Rh2 -","2","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0544","0.0416","","","0.1071","0.1134","","","","","","1.073","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117649","23.1637","0.0002","12.7303","0.0002","22.4993","0.0003","90","","113.821","0.0005","90","","6069.41","0.14","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H59 B F25 P2 Rh -","- C59 H59 B F25 P2 Rh -","- C236 H236 B4 F100 P8 Rh4 -","4","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0513","0.0388","","","0.0794","0.0851","","","","","","1.022","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117650","12.5024","0.0001","19.9855","0.0002","26.3918","0.0003","78.6713","0.0007","86.0042","0.0007","74.4807","0.0005","6229.18","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57.5 B F25.5 P2 Rh -","- C58 H57.5 B F25.5 P2 Rh -","- C232 H230 B4 F102 P8 Rh4 -","4","2","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.1274","0.0705","","","0.169","0.1908","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117651","25.3048","0.0002","19.0247","0.0001","25.8306","0.0002","90","","90","","90","","12435.3","0.15","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C57 H58 B F24 O P2 Rh S -","- C57 H58 B F24 O P2 Rh S -","- C456 H464 B8 F192 O8 P16 Rh8 S8 -","8","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0628","0.0379","","","0.0899","0.1008","","","","","","1.019","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117652","20.6581","0.0001","15.8107","0.0001","21.9696","0.0002","90","","117.474","0.0003","90","","6366.43","0.08","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H61 B F24 N O P2 Rh S -","- C59 H61 B F24 N O P2 Rh S -","- C236 H244 B4 F96 N4 O4 P8 Rh4 S4 -","4","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0588","0.0417","","","0.1014","0.1109","","","","","","1.023","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117653","9.8396","0.0003","10.9979","0.0003","15.9861","0.0004","90","","97.7476","0.0012","90","","1714.14","0.08","150","2","150","2","","","","","","","","10","P 1 c 1","P -2yc","7","","","","- C28 H50 B Cl2 F3 N O P2 Rh S -","- C28 H50 B Cl2 F3 N O P2 Rh S -","- C56 H100 B2 Cl4 F6 N2 O2 P4 Rh2 S2 -","2","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0433","0.0377","","","0.0758","0.0787","","","","","","1.037","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117654","9.5692","0.0018","13.611","0.003","7.5604","0.0014","90","","92.24","0.003","90","","984","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 S2 Si2 -","- C18 H26 S2 Si2 -","- C36 H52 S4 Si4 -","2","0.5","","Rebekka S. Klausen; Jonathan R. Widawsky; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Conductive Molecular Silicon","Journal of the American Chemical Society","2012","134","","4541","4544","10.1021/ja211677q","","","0.71073","MoKα","","0.0481","0.0342","","","0.0929","0.1007","","","","","","1.026","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117655","12.5452","0.0009","7.8373","0.0006","14.285","0.001","90","","90.257","0.004","90","","1404.49","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 S2 Si4 -","- C22 H38 S2 Si4 -","- C44 H76 S4 Si8 -","2","0.5","","Rebekka S. Klausen; Jonathan R. Widawsky; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Conductive Molecular Silicon","Journal of the American Chemical Society","2012","134","","4541","4544","10.1021/ja211677q","","","1.54178","CuKα","","0.047","0.038","","","0.101","0.108","","","","","","1.05","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117656","10.2871","0.0002","11.244","0.0002","17.2488","0.0003","79.01","0.001","84.608","0.001","63.709","0.001","1755.84","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H54 O4 W -","- C39 H54 O4 W -","- C78 H108 O8 W2 -","2","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.03","0.0254","","","0.0537","0.0547","","","","","","1.06","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117657","11.2257","0.0012","18.63","0.002","14.8896","0.0016","90","","98.466","0.002","90","","3080","0.6","296","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 O3 W -","- C35 H46 O3 W -","- C140 H184 O12 W4 -","4","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.0491","0.0262","","","0.0494","0.0532","","","","","","0.912","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117658","16.6415","0.0008","11.6477","0.0005","18.3227","0.0009","90","","90","","90","","3551.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H52 O4 W -","- C39 H52 O4 W -","- C156 H208 O16 W4 -","4","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.0282","0.0218","","","0.0469","0.0485","","","","","","0.952","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117659","16.8753","0.0013","16.8753","0.0013","16.8753","0.0013","90","","90","","90","","4805.7","0.6","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H37 In3 N3 Nd O26 -","- C36 H30 In3 N3 Nd O25.99 -","- C144 H120 In12 N12 Nd4 O103.96 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0712","0.0531","","","0.1272","0.1406","","","","","","1.081","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117660","16.8845","0.0002","16.8845","0.0002","16.8845","0.0002","90","","90","","90","","4813.54","0.1","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H37 In3 N3 O26 Sm -","- C36 H30 In3 N3 O26 Sm -","- C144 H120 In12 N12 O104 Sm4 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0449","0.036","","","0.0936","0.1074","","","","","","1.17","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117661","27.1319","0.0003","27.1319","0.0003","27.1319","0.0003","90","","90","","90","","19972.9","0.4","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H60 In3 N Nd2 O31 -","- C81 H45 In3 N0.99 Nd2 O28 -","- C324 H180 In12 N3.96 Nd8 O112 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0924","0.0772","","","0.2302","0.2525","","","","","","1.116","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117662","27.1344","0.0001","27.1344","0.0001","27.1344","0.0001","90","","90","","90","","19978.4","0.13","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H60 In3 N O31 Pr2 -","- C81 H45 In3 N0.99 O28 Pr2 -","- C324 H180 In12 N3.96 O112 Pr8 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0597","0.0465","","","0.1193","0.1254","","","","","","0.938","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117663","21.9141","0.0009","21.9141","0.0009","21.9141","0.0009","90","","90","","90","","10523.8","0.7","296","2","296","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C30 H20 Co2 In N3 O13.5 -","- C30 H18 Co2.01 In0.99 N3 O13.5 -","- C240 H144 Co16.08 In7.92 N24 O108 -","8","0.166667","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0637","0.0571","","","0.1712","0.1829","","","","","","1.288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117664","36.4998","0.0004","36.4998","0.0004","24.1865","0.0007","90","","90","","120","","27905.2","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H63 In2 Mn2 N3 O21 -","- C84 H38 In2 Mn2 N3 O21 -","- C756 H342 In18 Mn18 N27 O189 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.074","0.066","","","0.2029","0.2078","","","","","","1.063","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117665","36.3966","0.0005","36.3966","0.0005","23.9655","0.0006","90","","90","","120","","27494.1","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H63 Co2 In2 N3 O21 -","- C81 H38 Co2 In2 N3 O21 -","- C729 H342 Co18 In18 N27 O189 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.1172","0.085","","","0.2504","0.27","","","","","","0.964","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117666","36.218","0.014","36.218","0.014","23.612","0.019","90","","90","","120","","26823","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H54 Cu2 In2 N0 O24 -","- C72 H38 Cu2 In2 O24 -","- C648 H342 Cu18 In18 O216 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.1656","0.0921","","","0.2285","0.2574","","","","","","0.857","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117667","32.2214","0.0003","32.2214","0.0003","92.442","0.002","90","","90","","120","","83117","2","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H58 In2 Mg2 N0 O26 -","- C72 H40 In2 Mg2 O26 -","- C1296 H720 In36 Mg36 O468 -","18","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0583","0.0433","","","0.122","0.1264","","","","","","0.993","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117668","13.2886","0.0013","13.9258","0.0014","18.2372","0.0017","76.405","0.005","77.74","0.005","65.596","0.004","2961.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","U(IV) Ph Ket","","- C63 H86 Li N5 O2 U -","- C63 H77 Li N5 O2 U -","- C126 H154 Li2 N10 O4 U2 -","2","1","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0511","0.0452","","","0.1081","0.1118","","","","","","1.116","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117669","13.8905","0.0004","14.6036","0.0004","25.8603","0.0007","90","","92.184","0.001","90","","5242","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","U(IV) tBu Ket","","- C49 H98 Li N5 O U -","- C49 H77 Li N5 O U -","- C196 H308 Li4 N20 O4 U4 -","4","1","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0658","0.0293","","","0.0771","0.0861","","","","","","0.979","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117670","20.967","0.003","19.715","0.003","23.47","0.003","90","","90.215","0.008","90","","9702","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","U(V) tBu Ket","","- C45 H90 N5 U -","- C45 H90 N5 U -","- C360 H720 N40 U8 -","8","2","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0784","0.041","","","0.0922","0.1057","","","","","","1.058","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117671","12.1214","0.0008","12.1214","0.0008","36.432","0.003","90","","90","","120","","4635.7","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","U(V) Ph Ket","","- C66 H84 Li N6 U -","- C66 H84 Li N6 U -","- C198 H252 Li3 N18 U3 -","3","0.166667","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0289","0.027","","","0.0524","0.0528","","","","","","1.071","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117672","14.2791","0.0016","11.9428","0.0014","19.064","0.002","90","","92.216","0.002","90","","3248.6","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","U(VI) Ph Ket","","- C73 H92 N6 U -","- C74 H94 N6 U -","- C148 H188 N12 U2 -","2","0.5","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0622","0.0272","","","0.0626","0.0739","","","","","","0.98","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117673","9.8794","0.001","18.5005","0.0018","11.0075","0.001","90","","90","","90","","2011.9","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C27 H27 B -","- C27 H27 B -","- C108 H108 B4 -","4","0.5","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.0808","0.048","","","0.0696","0.0738","","","","","","1.096","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117674","27.583","0.007","9.566","0.002","12.031","0.003","90","","104.38","0.004","90","","3075","1.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H34 B2 Cl2 -","- C37 H34 B2 Cl2 -","- C148 H136 B8 Cl8 -","4","0.5","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.7107","MoKa","","0.0944","0.065","","","0.1667","0.1912","","","","","","1.084","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117675","12.223","0.002","9.4772","0.0016","15.291","0.003","90","","92.182","0.004","90","","1770","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 B O -","- C25 H21 B O -","- C100 H84 B4 O4 -","4","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.0741","0.0449","","","0.0801","0.0854","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117676","10.5692","0.0007","15.5985","0.0011","18.184","0.0012","90","","99.533","0.002","90","","2956.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 B F N3 S -","- C33 H45 B F N3 S -","- C132 H180 B4 F4 N12 S4 -","4","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.069","0.0433","","","0.0777","0.0823","","","","","","1.021","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117677","11.2973","0.0015","17.684","0.002","21.043","0.003","98.909","0.002","103.213","0.002","99.92","0.002","3948","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 B2 Cl2 F N3 S -","- C43 H54 B2 Cl2 F N3 S -","- C172 H216 B8 Cl8 F4 N12 S4 -","4","2","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.1012","0.057","","","0.1335","0.167","","","","","","1.007","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117678","10.6959","0.0009","14.8075","0.0013","15.5236","0.0013","85.815","0.002","84.448","0.002","84.235","0.002","2429.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H72 B2 Cl2 F2 N6 S2 -","- C49 H72 B2 Cl2 F2 N6 S2 -","- C98 H144 B4 Cl4 F4 N12 S4 -","2","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.1164","0.0748","","","0.1488","0.1696","","","","","","1.06","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117679","31.8437","0.0006","6.5733","0.0001","25.9326","0.0005","90","","126.952","0.001","90","","4337.86","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H60 N2 O16 S6 -","- C35 H60 N2 O16 S6 -","- C140 H240 N8 O64 S24 -","4","0.5","","Matthew K. Kiesewetter; Björn Corzilius; Albert A. Smith; Robert G. Griffin; Timothy M. Swager","Dynamic Nuclear Polarization with a Water-Soluble Rigid Biradical","Journal of the American Chemical Society","2012","134","","4537","4540","10.1021/ja212054e","","","1.54178","CuKα","","0.0696","0.0597","","","0.1587","0.1682","","","","","","1.066","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117680","13.673","0.003","14.561","0.003","24.254","0.005","90","","90","","90","","4828.8","1.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 B2 N2 O4 -","- C21 H34 B2 N2 O4 -","- C168 H272 B16 N16 O32 -","8","1","","Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations","Journal of the American Chemical Society","2012","134","","4573","4576","10.1021/ja300308c","","","0.71073","MoKα","","0.1055","0.0779","","","0.1682","0.2022","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117681","9.2419","0.0005","9.6877","0.0006","10.6092","0.0006","78.236","0.001","85.088","0.001","68.282","0.0009","863.86","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 B N2 O3 -","- C16 H25 B N2 O3 -","- C32 H50 B2 N4 O6 -","2","1","","Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations","Journal of the American Chemical Society","2012","134","","4573","4576","10.1021/ja300308c","","","0.71073","MoKα","","0.0616","0.0516","","","0.1384","0.1487","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117682","11.539","0.003","16.475","0.004","16.765","0.004","90","","90","","90","","3187.1","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl Co N3 O -","- C33 H49 Cl Co N3 O -","- C132 H196 Cl4 Co4 N12 O4 -","4","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0215","0.0202","","","0.0552","0.0557","","","","","","1.341","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117683","11.5067","0.0009","16.4629","0.0012","16.701","0.0012","90","","90","","90","","3163.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl Co N3 O -","- C33 H49 Cl Co N3 O -","- C132 H196 Cl4 Co4 N12 O4 -","4","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.021","0.0195","","","0.048","0.0486","","","","","","0.939","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117684","9.9551","0.0015","23.702","0.004","11.8587","0.0018","90","","103.765","0.002","90","","2717.8","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H44 Co N3 -","- C30 H44 Co N3 -","- C120 H176 Co4 N12 -","4","2","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0731","0.0678","","","0.1735","0.1792","","","","","","1.105","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117685","12.359","0.002","8.3869","0.0014","12.548","0.002","90","","91.336","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Co N3 -","- C29 H40 Co N3 -","- C58 H80 Co2 N6 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0438","0.0377","","","0.0936","0.1112","","","","","","1.115","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117686","12.3772","0.0004","8.3551","0.0003","12.5191","0.0004","90","","91.313","0.002","90","","1294.29","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Co N3 -","- C29 H40 Co N3 -","- C58 H80 Co2 N6 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","1.54178","CuKα","","0.08","0.0752","","","0.2119","0.2178","","","","","","1.093","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117687","9.611","0.002","12.746","0.003","24.056","0.006","90","","95.094","0.003","90","","2935.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 Cl Co N3 -","- C27 H39 Cl Co N3 -","- C108 H156 Cl4 Co4 N12 -","4","2","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0634","0.0438","","","0.0802","0.0852","","","","","","0.973","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117688","10.029","0.0009","19.6508","0.0018","19.1243","0.0017","90","","92.985","0.002","90","","3763.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C81.03 H114.1 Co3 N9 -","- C81.032 H114.096 Co3 N9 -","- C162.064 H228.192 Co6 N18 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0571","0.0442","","","0.0996","0.1054","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117689","10.33","0.003","13.013","0.003","16.873","0.007","93.66","0.02","97.33","0.02","103.26","0.02","2179.4","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H55 Cl4 Ge2 N3 -","- C43.5 H55 Cl4 Ge2 N3 -","- C87 H110 Cl8 Ge4 N6 -","2","1","","Amit Pratap Singh; Herbert W. Roesky; Elena Carl; Dietmar Stalke; Jean-Philippe Demers; Adam Lange","Lewis Base Mediated Autoionization of GeCl2 and SnCl2","Journal of the American Chemical Society","2012","134","","4998","5003","10.1021/ja300563g","","","0.71073","MoKα","","0.0332","0.0253","","","0.055","0.0569","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117690","10.438","0.002","13.174","0.002","16.908","0.004","92.68","0.02","99.08","0.02","103.21","0.02","2226.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H55 Cl4 N3 Sn2 -","- C43.5 H55 Cl4 N3 Sn2 -","- C87 H110 Cl8 N6 Sn4 -","2","1","","Amit Pratap Singh; Herbert W. Roesky; Elena Carl; Dietmar Stalke; Jean-Philippe Demers; Adam Lange","Lewis Base Mediated Autoionization of GeCl2 and SnCl2","Journal of the American Chemical Society","2012","134","","4998","5003","10.1021/ja300563g","","","0.56085","AgKα","","0.0458","0.0306","","","0.064","0.0686","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117691","11.8764","0.0001","14.0585","0.0002","12.2947","0.0001","90","","104.283","0.0007","90","","1989.32","0.04","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.71073","MoKα","","0.0444","0.0435","","","0.1181","0.1203","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117692","11.874","0.0001","14.052","0.0001","12.293","0.0001","90","","104.246","0.0003","90","","1988.05","0.03","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0428","0.038","","","0.1138","0.1172","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117693","11.878","0.0001","14.057","0.0001","12.295","0.0001","90","","104.267","0.0003","90","","1989.57","0.03","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0438","0.039","","","0.1159","0.1196","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117694","12.389","0.0001","7.958","0.0001","17.516","0.0001","90","","101.222","0.0004","90","","1693.91","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N O4 -","- C20 H16 Cl N O4 -","- C80 H64 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0378","0.0363","","","0.1115","0.113","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117695","12.394","0.0001","7.962","0.0001","17.524","0.0001","90","","101.191","0.0005","90","","1696.41","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N O4 -","- C20 H16 Cl N O4 -","- C80 H64 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0398","0.0381","","","0.116","0.118","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117696","11.874","0.0001","14.0576","0.0002","12.2949","0.0001","90","","104.285","0.0007","90","","1988.81","0.04","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.71073","MoKα","","0.0441","0.0432","","","0.1176","0.1194","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117697","23.58","0.001","18.0061","0.0007","24.9071","0.001","90","","102.965","0.002","90","","10305.6","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H99 F12 Fe2 N27 O12 S4 -","- C90 H72 Fe2 N18 -","- C360 H288 Fe8 N72 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.2304","0.1318","","","0.3254","0.3715","","","","","","0.939","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117698","19.6303","0.0012","32.402","0.002","30.421","0.0017","90","","95.494","0.002","90","","19261","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C206 H189 F24 Fe4 N55 O24 S8 -","- C144 H108 Fe4 N28 -","- C576 H432 Fe16 N112 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.1965","0.119","","","0.293","0.3281","","","","","","0.899","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117699","34.078","0.007","31.506","0.006","20.33","0.004","90","","104.03","0.03","90","","21176","8","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C178 H177 F48 Fe4 N29 O9 P8 -","- C148 H112 F30 Fe4 N24 O4 P5 -","- C592 H448 F120 Fe16 N96 O16 P20 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.1211","0.1078","","","0.2635","0.2733","","","","","","1.402","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117700","8.0466","0.0016","12.206","0.002","20.981","0.004","90.99","0.03","90.14","0.03","90.43","0.03","2060.3","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cl20 La14 Ru5 -","- Cl20 La14 Ru5 -","- Cl40 La28 Ru10 -","2","1","","Chong Zheng; Jürgen Köhler; Hansjürgen Mattausch; Constantin Hoch; Arndt Simon","A Five-Membered Ru5 Ring in a Hexagonal La14 Cage: The La14Cl20Ru5 Structure","Journal of the American Chemical Society","2012","134","","5026","5028","10.1021/ja210846d","","","0.56086","AgKα","","0.1156","0.0771","","","0.1792","0.1995","","","","","","1.081","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117701","14.9441","0.001","22.035","0.0015","22.0108","0.0014","90","","90","","90","","7248","0.8","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C68 H44 F12 Mo2 N13 O14 S4 -","- C68 H44 F12 Mo2 N13 O14 S4 -","- C272 H176 F48 Mo8 N52 O56 S16 -","4","0.5","","Eric J. Sundstrom; Xinzheng Yang; V. Sara Thoi; Hemamala I. Karunadasa; Christopher J. Chang; Jeffrey R. Long; Martin Head-Gordon","Computational and Experimental Study of the Mechanism of Hydrogen Generation from Water by a Molecular Molybdenum-Oxo Electrocatalyst","Journal of the American Chemical Society","2012","134","","5233","5242","10.1021/ja210949r","","","1.54178","CuKα","","0.0306","0.0299","","","0.082","0.0825","","","","","","1.273","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117702","12.4356","0.0006","15.7501","0.0008","20.2185","0.001","90","","90.681","0.002","90","","3959.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H50 F12 Mo2 N16 O12 S4 -","- C73 H50 F12 Mo2 N16 O12 S4 -","- C146 H100 F24 Mo4 N32 O24 S8 -","2","0.5","","Eric J. Sundstrom; Xinzheng Yang; V. Sara Thoi; Hemamala I. Karunadasa; Christopher J. Chang; Jeffrey R. Long; Martin Head-Gordon","Computational and Experimental Study of the Mechanism of Hydrogen Generation from Water by a Molecular Molybdenum-Oxo Electrocatalyst","Journal of the American Chemical Society","2012","134","","5233","5242","10.1021/ja210949r","","","1.54178","CuKα","","0.0816","0.0794","","","0.3049","0.3253","","","","","","2.139","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117703","6.2746","0.0007","11.2697","0.0013","21.763","0.003","90","","90","","90","","1538.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","","Nadeem S. Sheikh; Daniele Leonori; Graeme Barker; James D. Firth; Kevin R. Campos; Anthony J. H. M. Meijer; Peter O'Brien; Iain Coldham","An Experimental and in Situ IR Spectroscopic Study of the Lithiation-Substitution of N-Boc-2-phenylpyrrolidine and -piperidine: Controlling the Formation of Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","5300","5308","10.1021/ja211398b","","","0.71073","MoKα","","0.1125","0.0643","","","0.1309","0.1828","","","","","","1.259","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117704","9.577","0.0005","9.8305","0.0005","19.7127","0.001","87.226","0.003","89.257","0.003","68.802","0.003","1728.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","PhDPBPhNiBr","","","- C42 H33 B Br Ni P2 -","- C42 H33 B Br Ni P2 -","- C84 H66 B2 Br2 Ni2 P4 -","2","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0517","0.038","","","0.0945","0.099","","","","","","1.124","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117705","23.7152","0.0011","11.0648","0.0005","18.3257","0.0008","90","","129.973","0.002","90","","3685.2","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","PhDPBPhNiTHF","","","- C46 H41 B Ni O P2 -","- C46 H41 B Ni O P2 -","- C184 H164 B4 Ni4 O4 P8 -","4","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0548","0.0408","","","0.0895","0.0958","","","","","","1.034","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117706","12.4313","0.001","14.519","0.001","20.8242","0.0014","90","","102.722","0.002","90","","3666.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MesDPBPhNiBr","","","- C45 H39 B Br Ni P2 -","- C45 H39 B Br Ni P2 -","- C180 H156 B4 Br4 Ni4 P8 -","4","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0616","0.035","","","0.0809","0.09","","","","","","1.015","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117707","9.9796","0.0005","13.1425","0.0007","14.6968","0.0007","73.94","0.003","87.331","0.003","69.709","0.003","1734.8","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MesDPBPhNi","","","- C45 H39 B Ni P2 -","- C45 H39 B Ni P2 -","- C90 H78 B2 Ni2 P4 -","2","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0454","0.0304","","","0.0829","0.0867","","","","","","0.982","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117708","23.19","0.005","38.864","0.008","18.569","0.004","90","","122.8","0.03","90","","14067","7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H99 F6 N3 O4 Sb U -","- C72 H99 F6 N3 O4 Sb U -","- C576 H792 F48 N24 O32 Sb8 U8 -","8","2","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.069","0.0422","","","0.0889","0.0984","","","","","","1.083","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117709","16.5625","0.0002","15.0709","0.0002","23.2583","0.0004","90","","96.952","0.001","90","","5762.86","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 F3 N3 O8 U -","- C57 H88 F3 N3 O8 U -","- C228 H352 F12 N12 O32 U4 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0335","0.023","","","0.0476","0.0509","","","","","","1.008","","","","has coordinates","194045","2020-10-21","18:00:00",""
"4117710","23.159","0.003","38.802","0.005","18.622","0.002","90","","123.063","0.002","90","","14024","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C144 H198 F12 N6 O8 Sb2 U2 -","- C144 H198 F12 N6 O8 Sb2 U2 -","- C576 H792 F48 N24 O32 Sb8 U8 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0954","0.0492","","","0.1006","0.1171","","","","","","1.05","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117711","16.709","0.002","24.792","0.002","21.212","0.003","90","","124.05","0.01","90","","7280.5","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H112 F N3 O3 U -","- C83 H112 F N3 O3 U -","- C332 H448 F4 N12 O12 U4 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0672","0.0382","","","0.0759","0.0831","","","","","","1.197","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117712","39.095","0.0013","19.6845","0.0007","24.6987","0.0008","90","","127.878","0.001","90","","15002.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H118 F3 N3 O5 U -","- C84 H118 F3 N3 O5 U -","- C672 H944 F24 N24 O40 U8 -","8","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.067","0.0404","","","0.0948","0.104","","","","","","1.161","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117713","25.3572","0.001","14.9526","0.0006","20.5748","0.0008","90","","97.439","0.003","90","","7735.4","0.5","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(13)-C84.NiOEP.2toluene","","","- C134 H60 N4 Ni Sm -","- C134.074 H60 N4 Ni Sm1.02 -","- C536.295 H240 N16 Ni4 Sm4.08 -","4","0.5","","Hua Yang; Meilan Yu; Hongxiao Jin; Ziyang Liu; Mingguang Yao; Bingbing Liu; Marilyn M. Olmstead; Alan L. Balch","Isolation of Three Isomers of Sm@C84 and X-ray Crystallographic Characterization of Sm@D3d(19)-C84 and Sm@C2(13)-C84","Journal of the American Chemical Society","2012","134","","5331","5338","10.1021/ja211785u","","","0.71073","MoKα","","0.0808","0.0662","","","0.1663","0.1787","","","","","","1.022","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117714","25.3389","0.0015","14.8092","0.0009","20.926","0.0013","90","","97.589","0.0008","90","","7783.7","0.8","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@D3d(19)-C84.NiOEP.2toluene","","","- C134 H60 N4 Ni Sm -","- C132.2 H57.5 N4 Ni Sm -","- C528.8 H230 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Meilan Yu; Hongxiao Jin; Ziyang Liu; Mingguang Yao; Bingbing Liu; Marilyn M. Olmstead; Alan L. Balch","Isolation of Three Isomers of Sm@C84 and X-ray Crystallographic Characterization of Sm@D3d(19)-C84 and Sm@C2(13)-C84","Journal of the American Chemical Society","2012","134","","5331","5338","10.1021/ja211785u","","","0.71073","MoKα","","0.0849","0.0746","","","0.1526","0.1566","","","","","","1.237","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117715","9.627","0.003","11.363","0.004","16.729","0.006","91.016","0.016","93.314","0.014","95.991","0.013","1816.5","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","2","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.1294","0.0543","","","0.063","0.0711","","","","","","1.008","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117716","7.2726","0.0008","10.6519","0.0011","13.3896","0.0014","107.615","0.004","105.684","0.005","93.567","0.005","940.01","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 O2 S -","- C21 H19 N3 O2 S -","- C42 H38 N6 O4 S2 -","2","1","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.0539","0.0335","","","0.0778","0.0845","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117717","27.215","0.003","9.5265","0.0009","15.1182","0.0013","90","","106.753","0.003","90","","3753.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N3 O2 S -","- C22 H17 N3 O2 S -","- C176 H136 N24 O16 S8 -","8","1","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.0588","0.0366","","","0.0822","0.0883","","","","","","1.031","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117718","12.679","0.003","15.506","0.003","16.46","0.006","90","","123.4","0.02","90","","2701.6","1.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 N3 -","- C31 H41 N3 -","- C124 H164 N12 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0959","0.0681","","","0.1789","0.2084","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117719","8.654","0.0005","26.8867","0.0014","12.64","0.0006","90","","115.843","0.003","90","","2646.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl N3 P -","- C28 H33 Cl N3 P -","- C112 H132 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0758","0.0422","","","0.0905","0.1035","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117720","15.829","0.003","11.199","0.002","24.175","0.008","90","","125.42","0.02","90","","3492.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl N3 P -","- C37 H51 Cl N3 P -","- C148 H204 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0932","0.055","","","0.1306","0.1687","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117721","20.468","0.002","9.2821","0.001","15.5195","0.0018","90","","92.061","0.004","90","","2946.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl N3 P -","- C31 H39 Cl N3 P -","- C124 H156 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1444","0.0894","","","0.2128","0.2347","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117722","10.744","0.002","15.331","0.003","22.699","0.006","90","","118.03","0.02","90","","3300.3","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 Cl N3 P -","- C34 H45 Cl N3 P -","- C136 H180 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0569","0.0371","","","0.0962","0.1026","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117723","8.6103","0.0017","14.299","0.003","21.572","0.004","90","","91.13","0.03","90","","2655.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Br N3 P -","- C28 H33 Br N3 P -","- C112 H132 Br4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0783","0.0533","","","0.1424","0.1645","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117724","14.544","0.003","13.657","0.003","17.327","0.007","90","","119.39","0.02","90","","2998.7","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Al Cl4 N3 P -","- C28 H33 Al Cl4 N3 P -","- C112 H132 Al4 Cl16 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0957","0.0557","","","0.1535","0.1887","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117725","15.278","0.003","21.301","0.004","21.126","0.007","90","","133.195","0.017","90","","5012","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N6 P2 -","- C56 H66 N6 P2 -","- C224 H264 N24 P8 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1388","0.0788","","","0.1766","0.23","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117726","7.5319","0.0015","15.796","0.003","8.8077","0.0018","90","","109.64","0.03","90","","986.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl2 N2 P2 -","- C18 H22 Cl2 N2 P2 -","- C36 H44 Cl4 N4 P4 -","2","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1302","0.0642","","","0.1078","0.1312","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117727","11.562","0.002","13.418","0.003","14.712","0.003","65.35","0.03","78.17","0.03","88.2","0.03","2026.6","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H94 Cl6 N10 P4 -","- C79 H94 Cl6 N10 P4 -","- C79 H94 Cl6 N10 P4 -","1","0.5","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1237","0.0606","","","0.1461","0.1846","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117728","9.8884","0.0002","12.4534","0.0003","14.2131","0.0003","91.4581","0.0015","102.372","0.0015","112.572","0.0014","1567.36","0.06","93.1","","93","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H14 F N O2 S -","- C19 H14 F N O2 S -","- C76 H56 F4 N4 O8 S4 -","4","4","","Takahiro Nishimura; Akira Noishiki; Gavin Chit Tsui; Tamio Hayashi","Asymmetric Synthesis of (Triaryl)methylamines by Rhodium-Catalyzed Addition of Arylboroxines to Cyclic N-Sulfonyl Ketimines","Journal of the American Chemical Society","2012","134","","5056","5059","10.1021/ja300697c","","","1.54187","CuKα","","","0.0464","","","","0.1447","","","","","","1.144","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117729","11.677","0.003","22.21","0.005","16.123","0.004","90","","100.869","0.003","90","","4106.4","1.7","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 Fe N2 O P2 -","- C44 H59 Fe N2 O P2 -","- C176 H236 Fe4 N8 O4 P8 -","4","1","","R. Tom Baker; John C. Gordon; Charles W. Hamilton; Neil J. Henson; Po-Heng Lin; Steven Maguire; Muralee Murugesu; Brian L. Scott; Nathan C. Smythe","Iron Complex-Catalyzed Ammonia-Borane Dehydrogenation. A Potential Route toward B-N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts","Journal of the American Chemical Society","2012","134","","5598","5609","10.1021/ja210542r","","","0.71073","MoKα","","0.1686","0.0778","","","0.1806","0.2198","","","","","","1.089","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117730","11.443","0.013","20.06","0.02","16.304","0.019","90","","99.697","0.019","90","","3689","7","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 Fe N2 P2 -","- C40 H62 Fe N2 P2 -","- C160 H248 Fe4 N8 P8 -","4","1","","R. Tom Baker; John C. Gordon; Charles W. Hamilton; Neil J. Henson; Po-Heng Lin; Steven Maguire; Muralee Murugesu; Brian L. Scott; Nathan C. Smythe","Iron Complex-Catalyzed Ammonia-Borane Dehydrogenation. A Potential Route toward B-N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts","Journal of the American Chemical Society","2012","134","","5598","5609","10.1021/ja210542r","","","0.71073","MoKα","","0.2205","0.0734","","","0.1284","0.1841","","","","","","0.941","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117731","17.914","0.006","7.661","0.003","6.6577","0.0019","90","","98.885","0.007","90","","902.7","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C52 H32 O4 -","2","0.5","","Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura","Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility","Journal of the American Chemical Society","2012","134","","5448","5451","10.1021/ja2120635","","","0.71075","MoKα","","","0.0811","","","","0.2775","","","","","","0.923","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117732","13.2305","0.0017","5.5995","0.0006","23.802","0.003","90","","97.887","0.007","90","","1746.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C42 H48 O2 -","- C42 H48 O2 -","- C84 H96 O4 -","2","0.5","","Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura","Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility","Journal of the American Chemical Society","2012","134","","5448","5451","10.1021/ja2120635","","","0.99622","","","0.2014","0.0536","","","0.1291","0.1458","","","","","","0.522","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117733","10.0304","0.0002","32.0673","0.0006","17.1467","0.0003","90","","97.68","0.002","90","","5465.73","0.18","100.9","","374.05","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 B Cl Fe N8 O -","- C62 H61 B Cl Fe N8 O -","- C248 H244 B4 Cl4 Fe4 N32 O4 -","4","1","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","0.7107","MoKα","","0.0519","0.0413","","","0.0989","0.1068","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117734","14.9365","0.0006","9.9321","0.0005","37.6317","0.0014","90","","92.617","0.004","90","","5576.9","0.4","100.6","","100.6","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.77 H56.15 B Cl2.39 Fe N7 O -","- C60.7718 H56.1496 B Cl2.3866 Fe N7 O -","- C243.087 H224.598 B4 Cl9.5464 Fe4 N28 O4 -","4","1","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","1.5418","CuKα","","0.0643","0.0512","","","0.1279","0.1382","","","","","","1.029","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117735","39.237","0.0012","13.8346","0.0004","20.7143","0.0005","90","","97.218","0.003","90","","11155.2","0.5","101.1","","101.1","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H57 B Cl F6 Fe N7 O Sb -","- C60 H57 B Cl F6 Fe N7 O Sb -","- C480 H456 B8 Cl8 F48 Fe8 N56 O8 Sb8 -","8","2","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","1.5418","CuKα","","0.1115","0.0831","","","0.2089","0.2331","","","","","","1.026","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117736","9.3928","0.0013","9.3928","0.0013","51.008","0.0013","90","","90","","120","","3897.3","0.8","100.1","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C20 H30 Cr Mn N O14 -","- C19.99 Cr Mn N O14.01 -","- C119.94 Cr6 Mn6 N6 O84.06 -","6","0.333333","","Masaaki Sadakiyo; Hisashi Ōkawa; Akihito Shigematsu; Masaaki Ohba; Teppei Yamada; Hiroshi Kitagawa","Promotion of Low-Humidity Proton Conduction by Controlling Hydrophilicity in Layered Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","5472","5475","10.1021/ja300122r","","","0.71073","MoKα","","","0.0519","","","","0.1344","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117737","19.1875","0.001","9.6032","0.0005","17.5086","0.0009","90","","93.098","0.003","90","","3221.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34.96 H48 Cl0.04 Ni O0.96 P2 -","- C34.964 H48 Cl0.036 Ni O0.964 P2 -","- C139.856 H192 Cl0.144 Ni4 O3.856 P8 -","4","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0334","0.0259","","","0.0427","0.0429","","","","","","1.711","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117738","10.6162","0.0004","19.6007","0.0008","15.6192","0.0006","90","","103.887","0.002","90","","3155.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 N Ni O P2 -","- C33 H47 N Ni O P2 -","- C132 H188 N4 Ni4 O4 P8 -","4","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0934","0.0489","","","0.0501","0.0514","","","","","","1.604","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117739","9.0551","0.0006","17.5696","0.0012","11.5133","0.0008","90","","102.374","0.003","90","","1789.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 I N Ni O P2 -","- C36 H54 I N Ni O P2 -","- C72 H108 I2 N2 Ni2 O2 P4 -","2","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0312","0.0266","","","0.0483","0.0488","","","","","","1.924","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117740","11.4755","0.0011","4.6745","0.0005","12.6976","0.0013","90","","100.463","0.002","90","","669.8","0.12","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 B N3 -","- C4 H10 B N3 -","- C16 H40 B4 N12 -","4","1","","Xiangcheng Pan; Emmanuel Lacôte; Jacques Lalevée; Dennis P. Curran","Polarity Reversal Catalysis in Radical Reductions of Halides by N-Heterocyclic Carbene Boranes","Journal of the American Chemical Society","2012","134","","5669","5674","10.1021/ja300416f","","","0.71073","MoKα","","0.1035","0.0571","","","0.1412","0.1626","","","","","","1.037","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117741","12.4388","0.0012","15.4493","0.0015","15.9632","0.0015","94.969","0.002","107.717","0.002","113.463","0.002","2603.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H154 Al2 N4 O6 -","- C118 H154 Al2 N4 O6 -","- C118 H154 Al2 N4 O6 -","1","0.5","","Guang-Peng Wu; Wei-Min Ren; Yi Luo; Bo Li; Wen-Zhen Zhang; Xiao-Bing Lu","Enhanced Asymmetric Induction for the Copolymerization of CO2 and Cyclohexene Oxide with Unsymmetric Enantiopure SalenCo(III) Complexes: Synthesis of Crystalline CO2-Based Polycarbonate","Journal of the American Chemical Society","2012","134","","5682","5688","10.1021/ja300667y","","","0.71073","MoKα","","0.1448","0.0859","","","0.2226","0.2687","","","","","","1.033","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117742","8.8983","0.0008","11.7819","0.001","13.7805","0.0012","73.889","0.002","79.976","0.002","79.465","0.002","1352.9","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H44 F6 Fe N4 O2 Sb -","- C66 H44 F6 Fe N4 O2 Sb -","- C66 H44 F6 Fe N4 O2 Sb -","1","0.5","","Kyohei Fujiwara; Takuya Kurahashi; Seijiro Matsubara","Cationic Iron(III) Porphyrin-Catalyzed [4 + 2] Cycloaddition of Unactivated Aldehydes with Simple Dienes","Journal of the American Chemical Society","2012","134","","5512","5515","10.1021/ja300790x","","","0.71073","MoKα","","0.0508","0.0419","","","0.1107","0.1176","","","","","","1.02","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117743","7.9538","0.0008","7.3938","0.0008","14.4424","0.0014","90","","91.551","0.002","90","","849.03","0.15","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Kyohei Fujiwara; Takuya Kurahashi; Seijiro Matsubara","Cationic Iron(III) Porphyrin-Catalyzed [4 + 2] Cycloaddition of Unactivated Aldehydes with Simple Dienes","Journal of the American Chemical Society","2012","134","","5512","5515","10.1021/ja300790x","","","0.71073","MoKα","","0.0482","0.0411","","","0.1127","0.1184","","","","","","1.016","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117744","15.7355","0.0007","16.2056","0.0008","30.5406","0.0014","90","","90","","90","","7788","0.6","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1,1,3,3,3-hexa-tert-butyltrisilane-2,2-diyl 1',3',4',5'-tetramethyl-2',3'-dihydro-1'H-imidazole-2',2'-diyl complex","","- C35 H74 N2 O Si3 -","- C35 H74 N2 O Si3 -","- C280 H592 N16 O8 Si24 -","8","2","","Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi","An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization","Journal of the American Chemical Society","2012","134","","5540","5543","10.1021/ja301180v","","","0.71073","MoKα","","0.082","0.0661","","","0.2032","0.2133","","","","","","1.027","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117745","15.26","0.002","16.593","0.002","20.617","0.003","98.25","0.001","96.718","0.002","90.447","0.002","5129.3","1.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","(1,1,1,3,3,3-hexa-tert-butyltrisilane-2-yl-2-ylium 1,3,4,5-tetramthylimidazole-2,2-diyl)- tetrakis[4-(tert-butyldimethylsilyl)-2,3,5,6-tetrafluorophenyl]borate","","- C94 H138.5 B F18.5 N2 Si7 -","- C94 H138.5 B F18.5 N2 Si7 -","- C188 H277 B2 F37 N4 Si14 -","2","1","","Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi","An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization","Journal of the American Chemical Society","2012","134","","5540","5543","10.1021/ja301180v","","","0.71073","MoKα","","0.093","0.0798","","","0.2283","0.245","","","","","","1.021","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117746","15.865","0.001","15.865","0.001","11.7214","0.0008","90","","90","","120","","2555","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C36 H58 Cl N3 O2 -","- C36 H56 Cl N3 O2 -","- C108 H168 Cl3 N9 O6 -","3","1","","Jeffrey S. Bandar; Tristan H. Lambert","Enantioselective Brønsted Base Catalysis with Chiral Cyclopropenimines","Journal of the American Chemical Society","2012","134","","5552","5555","10.1021/ja3015764","","","0.71073","MoKα","","0.0598","0.0448","","","0.1095","0.1195","","","","","","1.015","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117747","10.308","0.008","6.921","0.004","13.374","0.01","90","","105.34","0.04","90","","920.1","1.1","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0726","0.0449","","","0.1046","0.1148","","","","","","1.037","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117748","12.034","0.002","15.092","0.002","15.799","0.004","90","","90","","90","","2869.4","0.9","293","2","293","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C128 H136 Br8 O24 -","8","2","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.0968","0.0691","","","0.178","0.2029","","","","","","1.031","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117749","7.155","0.003","20.687","0.005","8.002","0.002","90","","96.52","0.03","90","","1176.8","0.6","198","2","198","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.1362","0.0593","","","0.1188","0.1378","","","","","","0.965","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117750","6.6278","0.0017","8.754","0.002","16.144","0.006","90","","91.31","0.03","90","","936.4","0.5","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.1176","0.053","","","0.0907","0.1027","","","","","","0.96","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117751","8.499","0.004","8.644","0.004","11.641","0.005","106.65","0.04","91.72","0.04","118.25","0.04","707.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 O4 S -","- C15 H18 O4 S -","- C30 H36 O8 S2 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0647","0.0415","","","0.0873","0.0944","","","","","","1.041","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117752","8.049","0.004","13.968","0.007","13.793","0.006","90","","96.24","0.04","90","","1541.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C64 H80 O16 S4 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.0611","0.0574","","","0.1526","0.156","","","","","","1.065","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117753","5.558","0.002","19.39","0.011","10.753","0.005","90","","101.62","0.04","90","","1135.1","0.9","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.2553","0.0828","","","0.1483","0.1881","","","","","","0.892","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117754","6.885","0.004","9.275","0.005","9.509","0.004","87.23","0.04","69.53","0.04","74.48","0.04","547.5","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0931","0.0601","","","0.1529","0.1675","","","","","","1.055","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117755","6.1743","0.0018","12.3846","0.0017","13.243","0.004","86.96","0.018","80.68","0.02","80.571","0.017","985.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 Br O4 -","- C20 H25 Br O4 -","- C40 H50 Br2 O8 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.2242","0.0841","","","0.1986","0.2482","","","","","","0.872","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117756","8","2","12.648","","19.339","","80.57","","80.56","","89.89","","1904","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O -","- C26 H25 N O -","- C104 H100 N4 O4 -","4","2","","Gandeepan, Parthasarathy; Cheng, Chien-Hong","Allylic Carbon-Carbon Double Bond Directed Pd-Catalyzed Oxidative ortho-Olefination of Arenes","Journal of the American Chemical Society","2012","134","13","5738","5741","10.1021/ja300168m","","","0.71073","MoKα","","0.1256","0.1092","","","0.2897","0.3079","","","","","","1.09","","","","has coordinates","219255","2020-10-21","18:00:00",""
"4117757","30.159","0.003","30.159","0.003","30.159","0.003","90","","90","","90","","27432","5","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co225.28 Gd468 Sn446 -","- Co225.28 Gd468 Sn446.008 -","- Co225.28 Gd468 Sn446.008 -","1","0.00520833","","Devin C. Schmitt; Neel Haldolaarachchige; Yimin Xiong; David P. Young; Rongying Jin; Julia Y. Chan","Probing the Lower Limit of Lattice Thermal Conductivity in an Ordered Extended Solid: Gd117Co56Sn112, a Phonon Glass-Electron Crystal System","Journal of the American Chemical Society","2012","134","","5965","5973","10.1021/ja300240g","","","0.71073","MoKα","","0.049","0.0318","","","0.0548","0.0568","","","","","","1.492","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117758","8.3826","0.0003","8.2887","0.0003","10.0343","0.0004","90","","107.865","0.002","90","","663.57","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","0.71073","MoKα","","0.0355","0.033","","","0.0758","0.0777","","","","","","1.096","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117759","7.326","0.005","8.475","0.005","13.777","0.005","74.981","0.005","80.138","0.005","89.74","0.005","813.2","0.8","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","1.5418","CuKα","","0.0721","0.0586","","","0.1571","0.1775","","","","","","1.092","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117760","13.9405","0.0004","5.5449","0.0001","21.0383","0.0006","90","","107.817","0.003","90","","1548.24","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","1.54183","CuKα","","0.0512","0.0445","","","0.1172","0.1257","","","","","","1.024","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117761","11.59","0.002","20.246","0.004","27.885","0.006","68.834","0.003","84.406","0.004","80.583","0.003","6014","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","penta(2,2,6,6-tetramethyl-3,5-heptanedionate)-lithium(I)- di-manganese(II)","","- C55 H95 Li Mn2 O10 -","- C55 H95 Li Mn2 O10 -","- C220 H380 Li4 Mn8 O40 -","4","2","","Anantharamulu Navulla; Lan Huynh; Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Single-Source Molecular Precursor for the Lithium Ion Battery Cathode","Journal of the American Chemical Society","2012","134","","5762","5765","10.1021/ja301112q","","","0.71073","Mo-Kα","","0.1392","0.0721","","","0.1318","0.157","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117762","12.609","0.0012","7.9649","0.0007","15.2476","0.0014","90","","104.307","0.002","90","","1483.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl2 F2 I N O -","- C13 H8 Cl2 F2 I N O -","- C52 H32 Cl8 F8 I4 N4 O4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","0.71073","MoKα","","0.0331","0.0272","","","0.0667","0.0696","","","","","","1.041","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117763","5.876","0.003","15.458","0.009","17.174","0.01","90","","90","","90","","1559.9","1.5","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br2 F N O -","- C17 H12 Br2 F N O -","- C68 H48 Br8 F4 N4 O4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","0.71073","MoKα","","0.073","0.0551","","","0.1313","0.1394","","","","","","1.065","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117764","15.9468","0.0008","6.0282","0.0004","15.2252","0.0008","90","","91.641","0.004","90","","1463.01","0.14","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C68 H52 N4 O12 S4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","1.54178","CuKα","","0.1023","0.0821","","","0.2135","0.2361","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117765","14.7003","0.0006","9.6373","0.0005","17.7689","0.0007","90","","96.316","0.003","90","","2502.06","0.19","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H32 U -","- C31.5 H32 U -","- C126 H128 U4 -","4","1","","Steven J. Kraft; Phillip E. Fanwick; Suzanne C. Bart","Carbon-Carbon Reductive Elimination from Homoleptic Uranium(IV) Alkyls Induced by Redox-Active Ligands","Journal of the American Chemical Society","2012","134","","6160","6168","10.1021/ja209524u","","","1.54184","CU-Kα","","0.047","0.046","","","0.132","0.134","","","","","","1.134","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4117766","11.3441","0.0002","16.1454","0.0003","21.4984","0.0004","105.701","0.0006","98.6041","0.0007","110.11","0.0006","3428.88","0.11","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C36 H49 O0.5 P2 U -","- C36 H49 O0.5 P2 U -","- C144 H196 O2 P8 U4 -","4","2","","Steven J. Kraft; Phillip E. Fanwick; Suzanne C. Bart","Carbon-Carbon Reductive Elimination from Homoleptic Uranium(IV) Alkyls Induced by Redox-Active Ligands","Journal of the American Chemical Society","2012","134","","6160","6168","10.1021/ja209524u","","","0.71073","MO-Kα","","0.09","0.056","","","0.108","0.126","","","","","","1.095","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4117767","10.8034","0.0017","15.318","0.003","20.369","0.003","109.293","0.002","102.347","0.002","93.685","0.002","3074.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 Cl Fe N2 P2 -","- C35 H37 Cl Fe N2 P2 -","- C140 H148 Cl4 Fe4 N8 P8 -","4","2","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0486","0.0336","","","0.0749","0.0814","","","","","","1.017","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117768","13.3964","0.0017","9.939","0.0013","25.814","0.003","90","","91.925","0.001","90","","3435.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl Fe N2 O1.5 P2 -","- C38 H42 Cl Fe N2 O1.5 P2 -","- C152 H168 Cl4 Fe4 N8 O6 P8 -","4","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0471","0.0337","","","0.0764","0.0819","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117769","13.223","0.005","15.446","0.005","16.748","0.006","98.679","0.017","100.617","0.019","100.169","0.017","3249","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H51 B F24 Fe N2 P2 -","- C67 H51 B F24 Fe N2 P2 -","- C134 H102 B2 F48 Fe2 N4 P4 -","2","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.1304","0.0959","","","0.1839","0.1911","","","","","","2.348","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117770","11.5342","0.0003","17.2154","0.0004","15.2044","0.0004","90","","100.09","0.001","90","","2972.38","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Fe N2 P2 -","- C35 H38 Fe N2 P2 -","- C140 H152 Fe4 N8 P8 -","4","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0558","0.0348","","","0.0786","0.0877","","","","","","0.952","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117771","9.4452","0.0003","13.8524","0.0004","15.8369","0.0005","90","","106.667","0.001","90","","1985.03","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cl2 Fe2 P4 -","- C44 H50 Cl2 Fe2 P4 -","- C88 H100 Cl4 Fe4 P8 -","2","0.5","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0319","0.0258","","","0.0907","0.0983","","","","","","0.795","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117772","12.7101","0.0005","38.6697","0.0014","13.7469","0.0005","90","","103.914","0.0005","90","","6558.3","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H102 K2 N3 O14 Si6 Y -","- C42 H102 K2 N3 O15.52 Si6 Y -","- C168 H408 K8 N12 O62.08 Si24 Y4 -","4","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0688","0.0442","","","0.0996","0.1088","","","","","","1.016","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117773","25.705","0.005","18.868","0.004","25.933","0.005","90","","103.293","0.003","90","","12241","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 N6 O21 Si12 Y2 -","- C78 H190 K2 N6 O21 Si12 Y2 -","- C312 H760 K8 N24 O84 Si48 Y8 -","4","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0383","0.0276","","","0.0699","0.075","","","","","","1.027","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117774","14.9104","0.0007","15.1022","0.0007","15.5953","0.0008","94.6026","0.0006","114.888","0.0006","108.342","0.0006","2930.1","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H188 K2 N6 O18 Si12 Y2 -","- C78 H188 K2 N6 O18 Si12 Y2 -","- C78 H188 K2 N6 O18 Si12 Y2 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0855","0.0687","","","0.1991","0.212","","","","","","1.046","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117775","21.499","0.002","19.7847","0.0018","26.014","0.002","90","","90","","90","","11065.1","1.7","88","2","88","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H85 K N3 O7 Si6 Y -","- C38 H85 K N3 O7 Si6 Y -","- C304 H680 K8 N24 O56 Si48 Y8 -","8","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0795","0.0654","","","0.1699","0.1819","","","","","","1.051","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117776","11.5505","0.0007","14.5565","0.0009","14.667","0.0009","92.9862","0.0008","106.952","0.0007","109.399","0.0007","2194.4","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H138 K2 N6 O6 Si12 Y2 -","- C54 H138 K2 N6 O6 Si12 Y2 -","- C54 H138 K2 N6 O6 Si12 Y2 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.042","0.0381","","","0.1003","0.1028","","","","","","1.049","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117777","12.5868","0.0008","38.456","0.002","14.1813","0.0009","90","","101.768","0.0008","90","","6720","0.7","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H102 K2 N3 O16 Si6 Y -","- C44 H102 K2 N3 O16 Si6 Y -","- C176 H408 K8 N12 O64 Si24 Y4 -","4","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.067","0.0455","","","0.0969","0.104","","","","","","1.057","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117778","11.1975","0.0008","18.1867","0.0014","16.7355","0.0012","90","","100.949","0.001","90","","3346.1","0.4","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H102 K2 Lu N3 O14 Si6 -","- C42 H102 K2 Lu N3 O15.52 Si6 -","- C84 H204 K4 Lu2 N6 O31.04 Si12 -","2","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0518","0.0443","","","0.109","0.1125","","","","","","1.029","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117779","25.4359","0.001","18.7392","0.0008","25.6999","0.001","90","","103.009","0.0005","90","","11935.4","0.8","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 Lu2 N6 O21 Si12 -","- C78 H190 K2 Lu2 N6 O21 Si12 -","- C312 H760 K8 Lu8 N24 O84 Si48 -","4","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0422","0.0248","","","0.0471","0.0526","","","","","","0.994","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117780","15.399","0.0014","15.6526","0.0014","15.8991","0.0015","61.9215","0.0009","66.376","0.001","65.6289","0.001","2976.5","0.5","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H196 K2 Lu2 N6 O18 Si12 -","- C78 H196 K2 Lu2 N6 O18 Si12 -","- C78 H196 K2 Lu2 N6 O18 Si12 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0404","0.0349","","","0.0813","0.086","","","","","","1.032","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117781","9.611","0.003","32.246","0.01","12.883","0.004","90","","90","","90","","3993","2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba23 Ga8 S38 Sb2 -","- Ba23 Ga8 S38 Sb2 -","- Ba46 Ga16 S76 Sb4 -","2","0.25","","Mei-Chun Chen; Li-Ming Wu; Hua Lin; Liu-Jiang Zhou; Ling Chen","Disconnection Enhances the Second Harmonic Generation Response: Synthesis and Characterization of Ba23Ga8Sb2S38","Journal of the American Chemical Society","2012","134","","6058","6060","10.1021/ja300249n","","","0.71073","MoKα","","0.0167","0.0155","","","0.0375","0.0377","","","","","","1.066","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117782","8.095","0.003","11.075","0.003","11.901","0.004","100.436","0.005","99.633","0.005","107.409","0.005","972.9","0.6","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Sean T. Roberts; R. Eric McAnally; Joseph N. Mastron; David H. Webber; Matthew T. Whited; Richard L. Brutchey; Mark E. Thompson; Stephen E. Bradforth","Efficient Singlet Fission Discovered in a Disordered Acene Film","Journal of the American Chemical Society","2012","134","","6388","6400","10.1021/ja300504t","","","0.71073","MoKα","","0.0822","0.041","","","0.0577","0.0613","","","","","","0.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117783","20.2918","0.0002","45.0388","0.0004","29.4768","0.0003","90","","89.94","","90","","26939.4","0.5","193","2","193","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C168.25 B0 N8 O80 Pd4 Si2 W20 -","- C168.12 N8 O80 Pd4 Si2 W20 -","- C672.48 N32 O320 Pd16 Si8 W80 -","4","1","","Tomohisa Hirano; Kazuhiro Uehara; Keigo Kamata; Noritaka Mizuno","Palladium(II) Containing γ-Keggin Silicodecatungstate That Efficiently Catalyzes Hydration of Nitriles","Journal of the American Chemical Society","2012","134","","6425","6433","10.1021/ja3006012","","x-ray","0.71069","MoKα","","","0.0924","","","","0.2303","","","","","","1.054","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117784","9.7005","0.0019","21.43","0.004","19.585","0.004","90","","104.19","0.03","90","","3947.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H63 P Pb Si8 -","- C22 H63 P Pb Si8 -","- C88 H252 P4 Pb4 Si32 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.0635","0.0584","","","0.1597","0.1617","","","","","","1.066","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117785","11.896","0.002","12.182","0.002","20.051","0.004","81.96","0.03","74.89","0.03","61.25","0.03","2459.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 B F15 Pb Si8 -","- C34 H48 B F15 Pb Si8 -","- C68 H96 B2 F30 Pb2 Si16 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.0562","0.0485","","","0.1129","0.1163","","","","","","1.038","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117786","15.913","0.003","18.062","0.004","23.793","0.005","90","","98.49","0.03","90","","6764","2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H96 Pb2 Si16 -","- C32 H96 Pb2 Si16 -","- C128 H384 Pb8 Si64 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.1085","0.0691","","","0.1609","0.1771","","","","","","0.949","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117787","12.319","0.0006","10.3129","0.0006","17.3538","0.0009","90","","102.139","0.004","90","","2155.4","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O5 -","- C27 H24 O5 -","- C108 H96 O20 -","4","1","","Philip Magnus; Wesley A. Freund; Eric J. Moorhead; Trevor Rainey","Formal Synthesis of (\±)-Methyl Rocaglate Using an Unprecedented Acetyl Bromide Mediated Nazarov Reaction","Journal of the American Chemical Society","2012","134","","6140","6142","10.1021/ja300900p","","","0.71073","MoKα","","0.1481","0.054","","","0.0961","0.1227","","","","","","0.992","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117788","10.2737","0.0005","10.3745","0.0004","10.584","0.0005","80.793","0.002","78.723","0.002","85.817","0.002","1091.05","0.09","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C54 H48 O12 -","2","1","","Philip Magnus; Wesley A. Freund; Eric J. Moorhead; Trevor Rainey","Formal Synthesis of (\±)-Methyl Rocaglate Using an Unprecedented Acetyl Bromide Mediated Nazarov Reaction","Journal of the American Chemical Society","2012","134","","6140","6142","10.1021/ja300900p","","","0.71073","MoKα","","0.1841","0.0548","","","0.0932","0.1255","","","","","","0.957","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117789","19.524","0.008","9.76","0.004","17.961","0.008","90","","92.212","0.006","90","","3420","2","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 B Cl2 Fe N8 S3 W -","- C25 H45 B Cl2 Fe N8 S3 W -","- C100 H180 B4 Cl8 Fe4 N32 S12 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0321","0.0252","","","0.053","0.0558","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117790","10.4157","0.0017","10.4559","0.0018","18.83","0.003","80.31","0.003","80.003","0.003","82.389","0.003","1979.5","0.6","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C26 H48.5 B Cl2 Fe2 N7.5 S4 W -","- C26 H48.5 B Cl2 Fe2 N7.5 S4 W -","- C52 H97 B2 Cl4 Fe4 N15 S8 W2 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.054","0.0469","","","0.1163","0.1195","","","","","","1.127","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117791","12.386","0.002","18.724","0.003","18.774","0.003","71.878","0.002","85.544","0.002","74.194","0.002","3981.4","1.1","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H114 B2 Fe4 N14 S12 W2 -","- C58 H114 B2 Fe4 N14 S12 W2 -","- C116 H228 B4 Fe8 N28 S24 W4 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0386","0.0273","","","0.0504","0.054","","","","","","1.046","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117792","9.8026","0.0015","33.054","0.006","11.7328","0.0019","90","","111.846","0.003","90","","3528.6","1","100","1","100","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 B Cl3 Fe3 N7 S3 Se W -","- C23 H42 B Cl3 Fe3 N7 S3 Se W -","- C92 H168 B4 Cl12 Fe12 N28 S12 Se4 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.038","0.0328","","","0.061","0.0623","","","","","","1.163","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117793","10.7035","0.0015","11.7457","0.0016","20.309","0.003","90.973","0.002","91.723","0.002","110.001","0.002","2397.2","0.6","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C31 H61 B Fe3 N7 O0.5 S6 Se W -","- C31 H61 B Fe3 N7 O0.5 S6 Se W -","- C62 H122 B2 Fe6 N14 O S12 Se2 W2 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0443","0.0388","","","0.1057","0.1111","","","","","","1.077","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117794","11.5364","0.0009","15.3524","0.0012","35.917","0.003","90","","92.642","0.001","90","","6354.5","0.9","100","1","100","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H87 B2 Fe3 N6 P3 S3 Se W -","- C57 H87 B2 Fe3 N6 P3 S3 Se W -","- C228 H348 B8 Fe12 N24 P12 S12 Se4 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0473","0.0354","","","0.0725","0.0768","","","","","","1.062","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117795","23.5402","0.0013","18.55","0.001","25.5168","0.0013","90","","94.29","0.001","90","","11111.2","1","100","1","100","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C67 H135 B2 Fe6 N19 O3.5 S9 Se2 W2 -","- C67 H135 B2 Fe6 N19 O3.5 S9 Se2 W2 -","- C268 H540 B8 Fe24 N76 O14 S36 Se8 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.066","0.0404","","","0.1082","0.1212","","","","","","1.025","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117796","16.21","0.002","16.571","0.003","21.42","0.004","75.838","0.005","87.466","0.005","66.487","0.003","5106.4","1.5","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H139 B2 Fe6 N19 O4.5 S6 Se5 W2 -","- C68 H139 B2 Fe6 N19 O4.5 S6 Se5 W2 -","- C136 H278 B4 Fe12 N38 O9 S12 Se10 W4 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0697","0.0449","","","0.114","0.1259","","","","","","1.018","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117797","23.704","0.003","18.9992","0.0019","25.383","0.003","90","","93.757","0.003","90","","11407","2","100","1","100","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C65 H132 B2 Fe6 N17 O2.5 S9 Se2 W2 -","- C65 H132 B2 Fe6 N17 O2.5 S9 Se2 W2 -","- C260 H528 B8 Fe24 N68 O10 S36 Se8 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0663","0.0481","","","0.138","0.1489","","","","","","1.032","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117798","16.114","0.002","13.4046","0.0018","30.402","0.004","90","","101.553","0.002","90","","6433.8","1.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H78 B2 Fe4 N15 O2 S9 W2 -","- C44 H78 B2 Fe4 N15 O2 S9 W2 -","- C176 H312 B8 Fe16 N60 O8 S36 W8 -","4","0.5","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0786","0.0689","","","0.2371","0.2439","","","","","","1.081","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117799","20.431","0.006","10.277","0.003","37.268","0.011","90","","91.281","0.005","90","","7823","4","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C53.5 H101.5 B2 Fe4 N16.5 O2.5 S9 W2 -","- C53.5 H101.5 B2 Fe4 N16.5 O2.5 S9 W2 -","- C214 H406 B8 Fe16 N66 O10 S36 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.1561","0.0703","","","0.1525","0.1937","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117800","28.845","0.005","18.556","0.003","27.418","0.005","90","","111.003","0.002","90","","13700","4","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 B2 Fe4 N12 S6 Se3 W2 -","- C30 H44 B2 Fe4 N12 S6 Se3 W2 -","- C240 H352 B16 Fe32 N96 S48 Se24 W16 -","8","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0916","0.0524","","","0.1407","0.1555","","","","","","1.037","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117801","20.221","0.011","20.241","0.012","21.45","0.013","89.618","0.008","86.912","0.012","64.479","0.009","7910","8","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C101 H189 B4 Fe8 N31 O3 S12 Se6 W4 -","- C101 H189 B4 Fe8 N31 O3 S12 Se6 W4 -","- C202 H378 B8 Fe16 N62 O6 S24 Se12 W8 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.1981","0.0811","","","0.1947","0.2462","","","","","","1.027","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117802","30.352","0.009","11.039","0.003","22.117","0.007","90","","92.148","0.006","90","","7405","4","100","1","100","1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C54 H104 B2 Fe6 N12 P4 S6 Se2 W2 -","- C54 H104 B2 Fe6 N12 P4 S6 Se2 W2 -","- C216 H416 B8 Fe24 N48 P16 S24 Se8 W8 -","4","0.5","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0499","0.0338","","","0.0748","0.0821","","","","","","1.028","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117803","8.3627","0.0003","16.4334","0.0006","15.9457","0.0006","90","","99.668","0.001","90","","2160.26","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACAcetylene","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C104 H120 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0466","0.0419","","","0.1141","0.1182","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117804","16.8334","0.0016","8.7348","0.0008","24.305","0.002","90","","100.763","0.002","90","","3510.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACtBuphenylacetylene","","","- C42 H48 N2 O2 -","- C42 H48 N2 O2 -","- C168 H192 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0713","0.0561","","","0.1446","0.1552","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117805","12.0444","0.0009","23.2835","0.0017","11.9648","0.0009","90","","103.659","0.002","90","","3260.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACCyclohexylacetylene","","","- C38 H46 N2 O2 -","- C38 H46 N2 O2 -","- C152 H184 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0989","0.0647","","","0.1534","0.1775","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117806","9.2245","0.0014","11.6531","0.0018","14.266","0.002","97.528","0.004","104.301","0.004","108.506","0.003","1372.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACDMADKinetic","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C60 H68 N4 O12 -","2","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.1061","0.0642","","","0.14","0.1672","","","","","","1.006","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117807","20.1337","0.001","8.1571","0.0004","33.9244","0.0017","90","","93.899","0.003","90","","5558.6","0.5","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","DACDMADthermal","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C240 H272 N16 O48 -","8","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0806","0.0563","","","0.1178","0.1296","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117808","8.7238","0.0003","17.0451","0.0007","18.8797","0.0007","90","","95.197","0.001","90","","2795.83","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACMeOBenzonitrile","","","- C32 H35 N3 O3 -","- C32 H35 N3 O3 -","- C128 H140 N12 O12 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.044","0.0398","","","0.1033","0.1062","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117809","11.88","0.003","12.278","0.003","12.464","0.003","70.128","0.005","61.921","0.004","73.727","0.005","1492.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DACTetracyanoethylene","","","- C31 H29 Cl3 N6 O2 -","- C31 H29 Cl3 N6 O2 -","- C62 H58 Cl6 N12 O4 -","2","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.158","0.0863","","","0.1811","0.2205","","","","","","1.006","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117810","18.911","0.006","9.338","0.003","19.236","0.005","90","","116.261","0.003","90","","3046.3","1.6","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 O2 Si -","- C39 H36 O2 Si -","- C156 H144 O8 Si4 -","4","1","","Yasunori Minami; Yuki Shiraishi; Kotomi Yamada; Tamejiro Hiyama","Palladium-Catalyzed Cycloaddition of Alkynyl Aryl Ethers with Internal Alkynes via Selective Ortho C-H Activation","Journal of the American Chemical Society","2012","134","","6124","6127","10.1021/ja301588z","","","0.71075","MoKα","","","0.0557","","","","0.1178","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117811","9.2723","0.0009","16.0604","0.0016","18.9428","0.0019","90","","90","","90","","2820.9","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 Br3 N4 O -","- C32 H25 Br3 N4 O -","- C128 H100 Br12 N16 O4 -","4","1","","Daniel A. DiRocco; Kevin M. Oberg; Tomislav Rovis","Isolable Analogues of the Breslow Intermediate Derived from Chiral Triazolylidene Carbenes","Journal of the American Chemical Society","2012","134","","6143","6145","10.1021/ja302031v","","","0.71073","MoKα","","0.1035","0.0371","","","0.0586","0.0693","","","","","","0.961","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117812","9.852","0.0004","8.8052","0.0004","17.8104","0.0007","90","","90.677","0.002","90","","1544.92","0.11","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H27 Br3 N4 O -","- C34 H27 Br3 N4 O -","- C68 H54 Br6 N8 O2 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Tomislav Rovis","Isolable Analogues of the Breslow Intermediate Derived from Chiral Triazolylidene Carbenes","Journal of the American Chemical Society","2012","134","","6143","6145","10.1021/ja302031v","","","0.71073","MoKα","","0.1373","0.0618","","","0.1507","0.176","","","","","","1.031","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117813","13.3302","0.0008","14.5868","0.001","23.7796","0.0017","92.59","0.003","93.906","0.003","103.155","0.003","4483.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H95 B2 Cu2 N11 O4 S2 -","- C108 H95 B2 Cu2 N11 O4 S2 -","- C216 H190 B4 Cu4 N22 O8 S4 -","2","1","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.0588","0.0391","","","0.0757","0.0841","","","","","","1.011","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117814","24.378","0.002","20.8777","0.0016","26.115","0.002","90","","102.489","0.003","90","","12976.9","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C111 H133 Cl4 N16 O40 S4 Zn4 -","- C111 H107 Cl4 N16 O40 S4 Zn4 -","- C444 H428 Cl16 N64 O160 S16 Zn16 -","4","1","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.0894","0.0664","","","0.1739","0.1998","","","","","","1.125","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117815","17.176","0.007","11.301","0.004","10.045","0.004","90","","96.726","0.011","90","","1936.4","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cu N6 O4 S2 -","- C44 H40 Cu N6 O4 S2 -","- C88 H80 Cu2 N12 O8 S4 -","2","0.5","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.1312","0.0662","","","0.1537","0.1918","","","","","","1.014","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117816","24.349","0.0009","24.349","0.0009","24.349","0.0009","90","","90","","90","","14435.9","0.9","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C143 H139 Cl2 N23 O23 S6 Zn6 -","- C143 H129 Cl2 N23 O23 S6 Zn6 -","- C572 H516 Cl8 N92 O92 S24 Zn24 -","4","0.166667","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.1372","0.0923","","","0.2494","0.302","","","","","","1.048","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117817","16.898","0.004","20.061","0.005","28.135","0.007","93.763","0.005","100.76","0.005","98.377","0.005","9227","4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H156 Pd6 S12 -","- C72 H156 Pd6 S12 -","- C288 H624 Pd24 S48 -","4","2","","Valentine P. Ananikov; Nikolay V. Orlov; Sergey S. Zalesskiy; Irina P. Beletskaya; Victor N. Khrustalev; Keiji Morokuma; Djamaladdin G. Musaev","Catalytic Adaptive Recognition of Thiol (SH) and Selenol (SeH) Groups Toward Synthesis of Functionalized Vinyl Monomers","Journal of the American Chemical Society","2012","134","","6637","6649","10.1021/ja210596w","","","0.71073","MoKα","","0.2447","0.0845","","","0.1523","0.1785","","","","","","1.024","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117818","13.0069","0.001","15.6351","0.0011","20.2288","0.0015","104.369","0.001","104.206","0.001","99.76","0.001","3745.2","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H66 B F24 N O P3 Ru Si -","- C75 H66 B F24 N O P3 Ru Si -","- C150 H132 B2 F48 N2 O2 P6 Ru2 Si2 -","2","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.0634","0.0492","","","0.1511","0.1654","","","","","","1.201","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117819","15.1068","0.0014","15.2076","0.0012","17.5911","0.0016","90","","110.504","0.003","90","","3785.3","0.6","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C75 H73 B F24 N3 O P3 Ru Si -","- C75 H73 B F24 N3 O P3 Ru Si -","- C150 H146 B2 F48 N6 O2 P6 Ru2 Si2 -","2","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.0964","0.0595","","","0.1309","0.1515","","","","","","1.017","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117820","12.6608","0.0006","13.329","0.0006","28.9276","0.0013","90","","92.074","0.002","90","","4878.5","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H69 F6 N O2 P4 Ru Si -","- C47 H69 F6 N O2 P4 Ru Si -","- C188 H276 F24 N4 O8 P16 Ru4 Si4 -","4","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.056","0.0386","","","0.1005","0.1133","","","","","","1.062","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117821","17.4556","0.0004","15.9409","0.0004","20.2398","0.0005","90","","110.714","0.002","90","","5267.8","0.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C52 H66 F6 N O5 P3 Ru S Si -","- C52 H66 F6 N O5 P3 Ru S Si -","- C208 H264 F24 N4 O20 P12 Ru4 S4 Si4 -","4","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","1.54178","CuKα","","0.0355","0.0337","","","0.0974","0.0995","","","","","","1.051","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117822","11.7577","0.0004","14.9817","0.0005","16.9882","0.0005","88.234","0.002","73.097","0.002","86.124","0.002","2856.45","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Phenyltris(3-mesitylimidazol-2-ylidine)borato) (2,2',6,6'-tetramethylpipyridylnitroxido)iron(II)","","- C51 H62 B Fe N7 O -","- C51 H62 B Fe N7 O -","- C102 H124 B2 Fe2 N14 O2 -","2","1","","Jeremy M. Smith; Derick E. Mayberry; Charles G. Margarit; Jörg Sutter; Haobin Wang; Karsten Meyer; Ranko P. Bontchev","N-O Bond Homolysis of an Iron(II) TEMPO Complex Yields an Iron(III) Oxo Intermediate","Journal of the American Chemical Society","2012","134","","6516","6519","10.1021/ja211882e","","","0.71073","MoKα","","0.0457","0.0427","","","0.125","0.1283","","","","","","1.079","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117823","12.1292","0.0004","12.236","0.0004","17.9044","0.0006","98.278","0.002","99.104","0.002","100.639","0.002","2537.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H59 B Fe N6 O -","- C61 H59 B Fe N6 O -","- C122 H118 B2 Fe2 N12 O2 -","2","1","","Jeremy M. Smith; Derick E. Mayberry; Charles G. Margarit; Jörg Sutter; Haobin Wang; Karsten Meyer; Ranko P. Bontchev","N-O Bond Homolysis of an Iron(II) TEMPO Complex Yields an Iron(III) Oxo Intermediate","Journal of the American Chemical Society","2012","134","","6516","6519","10.1021/ja211882e","","","0.71073","MoKα","","0.0826","0.0479","","","0.1338","0.1576","","","","","","1.076","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117824","12.5259","0.0004","21.7719","0.0007","14.6165","0.0005","90","","114.146","0.001","90","","3637.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl3 F3 N9 O3 Rh S -","- C34 H24 Cl3 F3 N9 O3 Rh S -","- C136 H96 Cl12 F12 N36 O12 Rh4 S4 -","4","1","","Nanda D. Paul; Utpal Rana; Sreetosh Goswami; Tapan K. Mondal; Sreebrata Goswami","Azo Anion Radical Complex of Rhodium as a Molecular Memory Switching Device: Isolation, Characterization, and Evaluation of Current-Voltage Characteristics","Journal of the American Chemical Society","2012","134","","6520","6523","10.1021/ja212197s","","","0.71073","MoKα","","0.0472","0.0325","","","0.077","0.0842","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4117825","10.571","0.011","12.8345","0.0014","21.125","0.002","90","","91.8493","0.0041","90","","2865","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 O4 P S -","- C38 H27 O4 P S -","- C152 H108 O16 P4 S4 -","4","1","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71069","MoKα","","0.159","0.0662","","","0.1667","0.2419","","","","","","0.828","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117826","9.1252","0.0004","14.5686","0.0006","16.1866","0.0008","112.794","0.003","102.556","0.002","94.197","0.002","1906.52","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H32 Cl2 F3 O7 P S2 -","- C41 H32 Cl2 F3 O7 P S2 -","- C82 H64 Cl4 F6 O14 P2 S4 -","2","1","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71073","MoKα","","0.0758","0.056","","","0.1504","0.1713","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117827","12.7622","0.0011","13.2528","0.001","14.1164","0.001","87.397","0.004","79.573","0.004","61.235","0.004","2056","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H54 Au B0 Cl0 F0 O8 P2 S0 -","- C76 H54 Au O8 P2 -","- C76 H54 Au O8 P2 -","1","0.5","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71069","MoKα","","0.0376","0.0344","","","0.0941","0.0963","","","","","","1.077","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117828","10.3706","0.0017","9.6865","0.0016","11.846","0.002","90","","93.873","0.013","90","","1187.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O3 -","- C10 H18 N2 O3 -","- C40 H72 N8 O12 -","4","1","","Maréva Fèvre; Julien Pinaud; Alexandre Leteneur; Yves Gnanou; Joan Vignolle; Daniel Taton; Karinne Miqueu; Jean-Marc Sotiropoulos","Imidazol(in)ium Hydrogen Carbonates as a Genuine Source of N-Heterocyclic Carbenes (NHCs): Applications to the Facile Preparation of NHC Metal Complexes and to NHC-Organocatalyzed Molecular and Macromolecular Syntheses","Journal of the American Chemical Society","2012","134","","6776","6784","10.1021/ja3005804","","","1.54178","CuKα","","0.0859","0.0737","","","0.1745","0.1892","","","","","","1.016","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117829","8.7605","0.0002","11.7073","0.0004","29.4967","0.0009","90","","90","","90","","3025.23","0.15","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H29 N O3 Si -","- C38 H29 N O3 Si -","- C152 H116 N4 O12 Si4 -","4","1","","Zhi-Yong Han; Dian-Feng Chen; Ya-Yi Wang; Rui Guo; Pu-Sheng Wang; Chao Wang; Liu-Zhu Gong","Hybrid Metal/Organo Relay Catalysis Enables Enynes To Be Latent Dienes for Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2012","134","","6532","6535","10.1021/ja3007148","","","1.54184","CuKα","","0.0502","0.0439","","","0.1231","0.1312","","","","","","1.021","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117830","11.3523","0.0001","17.745","0.0001","22.1942","0.0001","90","","90","","90","","4470.95","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(I)2Si(B(L))(N(SiMe3)(2,6-C6H3iPr2))","","- C41 H62 B I2 N3 Si2 -","- C41 H62 B I2 N3 Si2 -","- C164 H248 B4 I8 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0342","0.029","","0.0349","0.0292","0.0281","","","","","","1.0162","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117831","12.7468","0.0003","20.3216","0.0005","19.4027","0.0005","90","","94.8071","0.0011","90","","5008.3","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C52 H72 B2 N4 Sn -","- C52 H72 B2 N4 Sn -","- C208 H288 B8 N16 Sn4 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.1288","0.1026","","0.2675","0.246","0.2675","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117832","11.3586","0.0001","14.4823","0.0002","28.0668","0.0004","85.2951","0.0005","83.7451","0.0005","76.5428","0.0005","4455.78","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sn{B(NDippCH)2}{N(SiMe3)Dipp}","","- C41 H62 B N3 Si Sn -","- C41 H62 B N3 Si Sn -","- C164 H248 B4 N12 Si4 Sn4 -","4","2","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0696","0.0451","","0.122","0.1098","0.122","","","","","","0.9236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117833","12.3688","0.0005","12.5625","0.0005","19.8714","0.0007","99.87","0.003","103.835","0.003","100.901","0.003","2867","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Ge{B(NDippCH)2}{N(SiMe3)Dipp*}","","- C64.5 H78 B Ge N3 Si -","- C64.5 H78 B Ge N3 Si -","- C129 H156 B2 Ge2 N6 Si2 -","2","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0574","0.0415","","","0.0887","0.0957","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117834","10.54535","0.00004","21.63077","0.00008","18.17499","0.00006","90","","93.0425","0.0003","90","","4139.94","0.03","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C41 H62 B N3 Si2 -","- C41 H62 B N3 Si2 -","- C164 H248 B4 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","1.54184","CuKα","","0.0345","0.0334","","0.0345","0.0343","0.0342","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117835","20.38147","0.00015","13.94342","0.0001","28.0053","0.0002","90","","92.4363","0.0007","90","","7951.56","0.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(H)SiC(Me)2(CHMe2)C6H3B(NDippCH){N(Dipp)SiMe3}","","- C41 H62 B N3 Si2 -","- C41 H62 B N3 Si2 -","- C328 H496 B8 N24 Si16 -","8","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","1.54184","CuKα","","0.0437","0.0401","","0.0249","0.0241","0.0239","","","","","","1.0639","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117836","11.0507","0.0002","21.7304","0.0004","17.4807","0.0003","90","","100.077","0.0008","90","","4132.99","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","H2Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C41 H64 B N3 Si2 -","- C41 H64 B N3 Si2 -","- C164 H256 B4 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0989","0.0528","","0.0713","0.0457","0.042","","","","","","1.1274","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117837","10.738","0.002","27.404","0.006","15.095","0.003","90","","104.04","0.03","90","","4309.2","1.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Si{N(Dipp)SiMe3}Br)2C10H10]","","- C40 H60 Br2 N2 Si4 -","- C40 H60 Br2 N2 Si4 -","- C160 H240 Br8 N8 Si16 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.1439","0.0603","","0.1031","0.0597","0.0597","","","","","","1.114","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117838","13.3874","0.0007","18.7441","0.001","15.9982","0.0008","90","","95.207","0.001","90","","3997.9","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 S2 Si -","- C48 H50 S2 Si -","- C192 H200 S8 Si4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0438","0.0357","","","0.0937","0.0991","","","","","","1.052","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117839","16.0546","0.0008","14.7263","0.0008","18.1452","0.0009","90","","91.723","0.001","90","","4288","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Br2 S2 Si -","- C48 H50 Br2 S2 Si -","- C192 H200 Br8 S8 Si4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0402","0.0277","","","0.0611","0.0654","","","","","","1.016","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117840","17.1406","0.0007","11.7612","0.0005","40.5573","0.0016","90","","95.205","0.001","90","","8142.4","0.6","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 S2 Si -","- C48 H52 S2 Si -","- C384 H416 S16 Si8 -","8","2","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0564","0.039","","","0.0925","0.1017","","","","","","1.01","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117841","10.5462","0.0007","10.8009","0.0007","27.5951","0.0017","82.413","0.002","83.268","0.003","89.393","0.003","3094.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Au4 Cu4 O10 -","- C60 H84 Au4 Cu4 O10 -","- C120 H168 Au8 Cu8 O20 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.0815","0.0672","","","0.166","0.1766","","","","","","1.056","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117842","15.3186","0.0012","20.945","0.0017","21.9478","0.0016","98.87","0.004","110.22","0.004","90.562","0.004","6513.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H168 Au8 Cu8 O16 -","- C133 H168 Au8 Cu8 O16 -","- C266 H336 Au16 Cu16 O32 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.1084","0.0852","","","0.1901","0.201","","","","","","1.154","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117843","14.2646","0.0013","14.3128","0.0007","16.4962","0.0008","113.804","0.002","103.21","0.003","103.317","0.003","2796.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Au4 Cu4 O8 -","- C56 H72 Au4 Cu4 O8 -","- C112 H144 Au8 Cu8 O16 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.0917","0.0568","","","0.1067","0.1243","","","","","","1.042","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117844","11.7431","0.0009","13.7282","0.0012","18.132","0.0016","89.559","0.004","89.755","0.004","80.206","0.004","2880.4","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H62 B F10 O P3 Pt -","- C64 H62 B F10 O P3 Pt -","- C128 H124 B2 F20 O2 P6 Pt2 -","2","1","","Abderrahmane Amgoune; Sonia Ladeira; Karinne Miqueu; Didier Bourissou","Coordination of Phosphinoboranes R2PB(C6F5)2 to Platinum: An Alkene-Type Behavior","Journal of the American Chemical Society","2012","134","","6560","6563","10.1021/ja301929n","","","0.71073","MoKα","","0.0264","0.0224","","","0.0592","0.0625","","","","","","1.12","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117845","11.731","0.003","12.456","0.003","19.203","0.006","73.402","0.007","75.16","0.017","70.012","0.007","2487.6","1.2","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C56 H48 B F10 P3 Pt -","- C56 H48 B F10 P3 Pt -","- C112 H96 B2 F20 P6 Pt2 -","2","1","","Abderrahmane Amgoune; Sonia Ladeira; Karinne Miqueu; Didier Bourissou","Coordination of Phosphinoboranes R2PB(C6F5)2 to Platinum: An Alkene-Type Behavior","Journal of the American Chemical Society","2012","134","","6560","6563","10.1021/ja301929n","","x-ray","0.71073","MoKα","","0.0192","0.0169","","","0.0404","0.0415","","","","","","1.025","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117846","6.0936","0.0001","20.5265","0.0004","12.0548","0.0002","90","","90.614","0.001","90","","1507.73","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C60 H84 N12 O20 -","4","1","","Ana de Bettencourt-Dias; Patrick S. Barber; Sebastian Bauer","A Water-Soluble Pybox Derivative and Its Highly Luminescent Lanthanide Ion Complexes","Journal of the American Chemical Society","2012","134","","6987","6994","10.1021/ja209572m","","","0.71073","MoKα","","0.0587","0.044","","","0.1111","0.121","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117847","26.4509","0.0011","30.4696","0.0013","34.6741","0.0015","90","","90","","90","","27946","2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C168 H192 Cl8 N16 O8 Zn8 -","- C168 H192 Cl8 N16 O8 Zn8 -","- C672 H768 Cl32 N64 O32 Zn32 -","4","1","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.1658","0.0882","","","0.2135","0.2352","","","","","","1.064","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117848","11.9695","0.0002","12.97","0.0002","15.5683","0.0003","74.963","0.001","82.105","0.001","67.243","0.001","2150.57","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 N8 O6 Zn2 -","- C92 H110 N8 O6 Zn2 -","- C92 H110 N8 O6 Zn2 -","1","0.5","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.061","0.0592","","","0.1678","0.1698","","","","","","1.062","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117849","19.0103","0.0007","26.1002","0.0014","23.7311","0.0011","90","","92.682","0.003","90","","11761.8","0.9","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C188 H232 Cl8 N16 O13 Zn8 -","- C188 H232 Cl8 N16 O13 Zn8 -","- C376 H464 Cl16 N32 O26 Zn16 -","2","1","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.0944","0.0889","","","0.2529","0.262","","","","","","1.091","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117850","21.698","0.003","21.698","0.003","6.869","0.0014","90","","90","","120","","2800.7","0.8","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H14 N O4 Zn -","- C12 H14 N O4 Zn -","- C72 H84 N6 O24 Zn6 -","6","1","","Thomas M. McDonald; Woo Ram Lee; Jarad A. Mason; Brian M. Wiers; Chang Seop Hong; Jeffrey R. Long","Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc)","Journal of the American Chemical Society","2012","134","","7056","7065","10.1021/ja300034j","","","0.85","synchrotron","","0.0501","0.0466","","","0.1204","0.1223","","","","","","1.073","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117851","12.832","0.003","16.927","0.004","18.037","0.004","110.808","0.003","95.034","0.003","94.507","0.0018","3622.7","1.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H90 Cl Mn2 N9 O15 -","- C74 H86 Cl Mn2 N9 O15 -","- C148 H172 Cl2 Mn4 N18 O30 -","2","1","","Wei-Xiong Zhang; Takuya Shiga; Hitoshi Miyasaka; Masahiro Yamashita","New Approach for Designing Single-Chain Magnets: Organization of Chains via Hydrogen Bonding between Nucleobases","Journal of the American Chemical Society","2012","134","","6908","6911","10.1021/ja300152k","","","0.71075","MoKα","","0.0728","0.0525","","","0.1364","0.1573","","","","","","0.998","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117852","12.7468","0.0002","15.0237","0.0002","18.0997","0.0001","65.771","0.006","81.564","0.008","78.308","0.008","3087.41","0.18","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H65 Cl2 Mn2 N9 O15 -","- C65 H65 Cl2 Mn2 N9 O15 -","- C130 H130 Cl4 Mn4 N18 O30 -","2","1","","Wei-Xiong Zhang; Takuya Shiga; Hitoshi Miyasaka; Masahiro Yamashita","New Approach for Designing Single-Chain Magnets: Organization of Chains via Hydrogen Bonding between Nucleobases","Journal of the American Chemical Society","2012","134","","6908","6911","10.1021/ja300152k","","","0.71075","MoKα","","0.1266","0.1008","","","0.2732","0.283","","","","","","0.999","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117853","8.694","0.002","12.552","0.003","17.328","0.004","90","","90","","90","","1891","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br N2 O2 -","- C23 H17 Br N2 O2 -","- C92 H68 Br4 N8 O8 -","4","1","","Jia-Rong Chen; Wan-Rong Dong; Mathieu Candy; Fang-Fang Pan; Manuel Jörres; Carsten Bolm","Enantioselective Synthesis of Dihydropyrazoles by Formal [4+1] Cycloaddition of in Situ-Derived Azoalkenes and Sulfur Ylides","Journal of the American Chemical Society","2012","134","","6924","6927","10.1021/ja301196x","","","0.71073","MoKα","","0.0333","0.029","","","0.0635","0.0652","","","","","","1.05","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117854","12.361","0.003","20.068","0.004","24.351","0.005","90","","90","","90","","6041","2","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ar'Ga(C7H8)GaAr'","","","- C71 H92 Ga2 O -","- C71 H92 Ga2 O -","- C284 H368 Ga8 O4 -","4","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0257","0.0245","","","0.0581","0.0588","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117855","17.7733","0.0012","15.1613","0.0012","21.9265","0.0015","90","","96.57","0.001","90","","5869.7","0.7","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ar'Ga(C8H8)GaAr'","","","- C68 H82 Ga2 -","- C68 H82 Ga2 -","- C272 H328 Ga8 -","4","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0356","0.0286","","","0.0708","0.0739","","","","","","1.023","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117856","12.247","0.003","13.46","0.005","19.666","0.006","92.672","0.016","99.319","0.016","110.348","0.015","2980.8","1.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Ar'Ga(C5H5)GaAr'","","","- C70 H92 Ga2 -","- C65 H80 Ga2 -","- C130 H160 Ga4 -","2","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0425","0.0371","","","0.0968","0.0992","","","","","","1.073","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117857","12.785","0.0006","14.0628","0.0007","19.8833","0.0009","94.142","0.001","101.241","0.001","97.051","0.001","3462.8","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Ar'Ga(C7H8)GaAr'","","","- C79 H108 Ga2 -","- C73 H96 Ga2 -","- C146 H192 Ga4 -","2","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0352","0.032","","","0.1008","0.1037","","","","","","1.081","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117858","18.6293","0.0015","10.7594","0.0009","14.4721","0.0013","90","","108.603","0.003","90","","2749.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 N6 O9 Zn -","- C22 H24 Cl2 N6 O9 Zn -","- C88 H96 Cl8 N24 O36 Zn4 -","4","1","","Lei You; Gennaro Pescitelli; Eric V. Anslyn; Lorenzo Di Bari","An Exciton-Coupled Circular Dichroism Protocol for the Determination of Identity, Chirality, and Enantiomeric Excess of Chiral Secondary Alcohols","Journal of the American Chemical Society","2012","134","","7117","7125","10.1021/ja301252h","","","0.71069","MoKα","","0.0332","0.0303","","","0.073","0.0744","","","","","","1.087","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117859","32.5889","0.0019","8.4679","0.0005","22.0407","0.0014","90","","96.924","0.001","90","","6038","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 F3 Ir N O3 P S -","- C30 H38 F3 Ir N O3 P S -","- C240 H304 F24 Ir8 N8 O24 P8 S8 -","8","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0544","0.0405","","","0.1005","0.1071","","","","","","1.031","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117860","11.8563","0.0011","16.3032","0.0015","12.3373","0.001","90","","99.002","0.002","90","","2355.4","0.4","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Ir P -","- C27 H34 Ir P -","- C108 H136 Ir4 P4 -","4","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0543","0.038","","","0.0976","0.1055","","","","","","1.059","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117861","12.5935","0.0004","13.3827","0.0004","18.9554","0.0006","90","","106.628","0.001","90","","3061.06","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H56 B F24 Ir P2 -","- C62 H56 B F24 Ir P2 -","- C124 H112 B2 F48 Ir2 P4 -","2","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0204","0.0195","","","0.0498","0.0502","","","","","","1.038","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117862","17.2137","0.0015","17.9944","0.0016","19.2836","0.0018","87.003","0.004","74.514","0.003","88.167","0.003","5747.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H45 B F24 Ir P -","- C59 H45 B F24 Ir P -","- C236 H180 B4 F96 Ir4 P4 -","4","2","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0829","0.0696","","","0.144","0.1659","","","","","","1.063","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117863","13.858","0.005","14.692","0.005","22.582","0.007","90","","90","","90","","4598","3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H63 N O Si2 -","- C50 H63 N O Si2 -","- C200 H252 N4 O4 Si8 -","4","1","","Daisuke Uraguchi; Kyohei Koshimoto; Takashi Ooi","Ionic Nucleophilic Catalysis of Chiral Ammonium Betaines for Highly Stereoselective Aldol Reaction from Oxindole-Derived Vinylic Carbonates","Journal of the American Chemical Society","2012","134","","6972","6975","10.1021/ja3022939","","","0.71073","MoKα","","0.1559","0.0939","","","0.2496","0.2888","","","","","","1.014","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117864","6.1197","0.0019","19.421","0.006","20.604","0.006","90","","90","","90","","2448.8","1.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Br Cl N O2 -","- C29 H23 Br Cl N O2 -","- C116 H92 Br4 Cl4 N4 O8 -","4","1","","Daisuke Uraguchi; Kyohei Koshimoto; Takashi Ooi","Ionic Nucleophilic Catalysis of Chiral Ammonium Betaines for Highly Stereoselective Aldol Reaction from Oxindole-Derived Vinylic Carbonates","Journal of the American Chemical Society","2012","134","","6972","6975","10.1021/ja3022939","","","0.71073","MoKα","","0.0645","0.0438","","","0.0915","0.1106","","","","","","1.019","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117865","12.8702","0.001","10.2362","0.0009","15.4223","0.0014","90","","112.269","0.006","90","","1880.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F7 N O3 -","- C18 H18 F7 N O3 -","- C72 H72 F28 N4 O12 -","4","2","","Aaron T. Herrmann; Lindsay L. Smith; Armen Zakarian","A Simple Method for Asymmetric Trifluoromethylation of N-Acyl Oxazolidinones via Ru-Catalyzed Radical Addition to Zirconium Enolates","Journal of the American Chemical Society","2012","134","","6976","6979","10.1021/ja302552e","","","0.71073","MoKα","","0.0371","0.0323","","","0.0583","0.0592","","","","","","1.589","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117866","8.0419","0.0015","13.342","0.002","18.841","0.004","90","","90","","90","","2021.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H Cl4 N O3 Zr -","- C15 H19 Cl4 N O3 Zr -","- C60 H76 Cl16 N4 O12 Zr4 -","4","1","","Aaron T. Herrmann; Lindsay L. Smith; Armen Zakarian","A Simple Method for Asymmetric Trifluoromethylation of N-Acyl Oxazolidinones via Ru-Catalyzed Radical Addition to Zirconium Enolates","Journal of the American Chemical Society","2012","134","","6976","6979","10.1021/ja302552e","","","0.71073","MoKα","","0.06","0.0395","","","0.0718","0.078","","","","","","0.998","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117867","38.741","0.0002","38.741","0.0002","38.741","0.0002","90","","90","","90","","58145","0.5","100","2","100","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C276 Ir6 N24 O32 Zr6 -","- C276 Ir6 N24 O32 Zr6 -","- C1104 Ir24 N96 O128 Zr24 -","4","0.0833333","","Cheng Wang; Kathryn E. deKrafft; Wenbin Lin","Pt Nanoparticles @ Photoactive Metal-Organic Frameworks: Efficient Hydrogen Evolution via Synergistic Photoexcitation and Electron Injection","Journal of the American Chemical Society","2012","134","","7211","7214","10.1021/ja300539p","","","1.54178","CuKα","","0.2796","0.2135","","","0.3675","0.3909","","","","","","2.168","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117868","9.3778","0.0007","10.6469","0.0009","11.5491","0.0009","87.747","0.002","79.414","0.002","74.812","0.002","1093.85","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S2 -","- C24 H25 N O4 S2 -","- C48 H50 N2 O8 S4 -","2","1","","José A. Souto; Debora Zian; Kilian Muñiz","Iodine(III)-Mediated Intermolecular Allylic Amination under Metal-Free Conditions","Journal of the American Chemical Society","2012","134","","7242","7245","10.1021/ja3013193","","","0.71073","MoKα","","0.0667","0.0594","","","0.1796","0.1877","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117869","8.297","","8.816","","9.846","","68.65","","79.9","","71","","632.907","","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf41a","","","- C7 H17 Cl2 N3 O2 Re0.5 Zn0.5 -","- C7 H17 Cl2 N3 O2 Re0.5 Zn0.5 -","- C14 H34 Cl4 N6 O4 Re Zn -","2","1","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0474","0.0449","","","0.0954","0.0973","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117870","10.778","","12.316","","14.407","","90","","107.01","","90","","1828.75","","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","xwf22a","","","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","4","1","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0644","0.0531","","","0.134","0.1425","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117871","13.743","0.0015","21.942","0.002","12.8569","0.0014","90","","107.514","0.002","90","","3697.3","0.7","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","xwfReMn2","","","- C68 H50 Cl4 F12 Mn2 N16 P2 Re -","- C68 H50 Cl4 F12 Mn2 N16 P2 Re -","- C136 H100 Cl8 F24 Mn4 N32 P4 Re2 -","2","0.5","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0573","0.0366","","","0.0861","0.093","","","","","","0.999","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117872","32.2809","0.0014","7.2588","0.0003","16.0662","0.0007","90","","119.041","0.002","90","","3291.3","0.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Thi My Uyen Ton; Ciputra Tejo; Diane Ling Ying Tiong; Philip Wai Hong Chan","Copper(II) Triflate Catalyzed Amination and Aziridination of 2-Alkyl Substituted 1,3-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","7344","7350","10.1021/ja301415k","","","0.71073","MoKα","","0.0536","0.0387","","","0.1055","0.1206","","","","","","1.068","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117873","11.2244","0.0007","18.4977","0.001","8.8492","0.0006","90","","90.851","0.002","90","","1837.1","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 S -","- C17 H23 N O6 S -","- C68 H92 N4 O24 S4 -","4","1","","Thi My Uyen Ton; Ciputra Tejo; Diane Ling Ying Tiong; Philip Wai Hong Chan","Copper(II) Triflate Catalyzed Amination and Aziridination of 2-Alkyl Substituted 1,3-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","7344","7350","10.1021/ja301415k","","","0.71073","MoKα","","0.042","0.0353","","","0.0901","0.0952","","","","","","1.02","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117874","6.7873","0.0017","7.4504","0.0018","24.01","0.006","90","","90","","90","","1214.1","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cl2 N -","- C11 H15 Cl2 N -","- C44 H60 Cl8 N4 -","4","1","","Julien Lefranc; Anne M. Fournier; Gaëlle Mingat; Simon Herbert; Tommaso Marcelli; Jonathan Clayden","Intramolecular Vinylation of Secondary and Tertiary Organolithiums","Journal of the American Chemical Society","2012","134","","7286","7289","10.1021/ja301591m","","","0.71073","MoKα","","0.1401","0.0868","","","0.0879","0.1014","","","","","","0.961","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117875","8.3486","0.0007","13.2981","0.0011","21.5227","0.0017","90","","95.245","0.002","90","","2379.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 Cl3 O2 S2 -","- C29 H15 Cl3 O2 S2 -","- C116 H60 Cl12 O8 S8 -","4","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","0.71073","MoKα","","0.0335","0.0297","","","0.0754","0.0781","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117876","16.4875","0.0005","16.8851","0.0005","17.0029","0.0004","90","","90","","90","","4733.5","0.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H22 O4 -","- C34 H22 O4 -","- C272 H176 O32 -","8","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","1.54178","CuKα","","0.0899","0.0734","","","0.2573","0.2715","","","","","","1.098","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117877","9.0926","0.0002","11.5161","0.0003","12.053","0.0002","115.207","0.001","112.121","0.001","93.076","0.001","1022.78","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 O2 -","- C32 H18 O2 -","- C64 H36 O4 -","2","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","1.54178","CuKα","","0.0389","0.0366","","","0.0942","0.0965","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117878","10.0076","0.0006","11.5702","0.0006","12.292","0.001","77.346","0.003","83.505","0.003","71.613","0.005","1316.33","0.15","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H62 O6 -","- C72 H62 O6 -","- C72 H62 O6 -","1","0.5","","Anat Molad; Israel Goldberg; Arkadi Vigalok","Tubular Conjugated Polymer for Chemosensory Applications","Journal of the American Chemical Society","2012","134","","7290","7292","10.1021/ja301918f","","","0.71073","MoKα","","0.1406","0.0879","","","0.1599","0.1818","","","","","","1.103","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117879","10.3343","0.0005","19.1546","0.0009","16.1851","0.0008","90","","107.652","0.003","90","","3053","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","car01","car01","","- C63 H96 Fe2 N10 S2 -","- C63 H96 Fe2 N10 S2 -","- C126 H192 Fe4 N20 S4 -","2","0.5","","Caroline T. Saouma; Werner Kaminsky; James M. Mayer","Protonation and Concerted Proton-Electron Transfer Reactivity of a Bis-Benzimidazolate Ligated [2Fe-2S] Model for Rieske Clusters","Journal of the American Chemical Society","2012","134","","7293","7296","10.1021/ja3019324","","","0.71073","MoKα","","0.0912","0.0541","","","0.1307","0.1558","","","","","","1.063","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117880","27.303","0.009","34.268","0.009","18.17","0.005","90","","98.32","0.015","90","","16821","8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","car02b","car02b","","- C568 H912 Fe16 N104 O8 S16 -","- C568 H912 Fe16 N104 O8 S16 -","- C568 H912 Fe16 N104 O8 S16 -","1","0.125","","Caroline T. Saouma; Werner Kaminsky; James M. Mayer","Protonation and Concerted Proton-Electron Transfer Reactivity of a Bis-Benzimidazolate Ligated [2Fe-2S] Model for Rieske Clusters","Journal of the American Chemical Society","2012","134","","7293","7296","10.1021/ja3019324","","","0.71073","MoKα","","0.0944","0.0621","","","0.1607","0.2059","","","","","","1.11","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117881","9.6582","0.0004","14.7762","0.0007","9.7818","0.0004","90","","92.958","0.002","90","","1394.12","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cl4 N3 W -","- C7 H13 Cl4 N3 W -","- C28 H52 Cl16 N12 W4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0334","0.021","","","0.0323","0.0335","","","","","","1.462","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117882","10.9765","0.0004","14.9892","0.0006","15.2682","0.0006","90","","110.395","0.002","90","","2354.59","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl3 N2 O2 Ta -","- C22 H24 Cl3 N2 O2 Ta -","- C88 H96 Cl12 N8 O8 Ta4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0426","0.0253","","","0.0359","0.0368","","","","","","1.892","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117883","7.289","0.0003","13.3859","0.0005","10.9809","0.0004","90","","90.292","0.001","90","","1071.39","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H16 Br2 Cl3 N2 O2 Ta -","- C16 H16 Br2 Cl3 N2 O2 Ta -","- C32 H32 Br4 Cl6 N4 O4 Ta2 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.021","0.0196","","","0.038","0.0384","","","","","","1.455","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117884","13.4839","0.0006","10.2768","0.0004","14.8254","0.0007","90","","108.079","0.002","90","","1952.95","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl3 N2 O2 Ta -","- C16 H20 Cl3 N2 O2 Ta -","- C64 H80 Cl12 N8 O8 Ta4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0513","0.0285","","","0.0362","0.038","","","","","","1.388","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117885","7.3415","0.0004","9.2663","0.0005","16.2634","0.0008","78.39","0.003","84.353","0.003","84.864","0.002","1075.72","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N2 O2 Ta -","- C18 H24 Cl3 N2 O2 Ta -","- C36 H48 Cl6 N4 O4 Ta2 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0333","0.0237","","","0.0343","0.0354","","","","","","1.218","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117886","19.4748","0.0009","9.6654","0.0004","19.3262","0.0009","90","","93.727","0.002","90","","3630.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl3 N2 Nb O2 -","- C16 H18 Cl3 N2 Nb O2 -","- C128 H144 Cl24 N16 Nb8 O16 -","8","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0408","0.0263","","","0.0445","0.045","","","","","","2.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117887","7.3791","0.0004","8.925","0.0004","16.3801","0.0008","80.331","0.002","84.651","0.002","85.152","0.002","1056.2","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl5 N2 Nb O2 -","- C16 H18 Cl5 N2 Nb O2 -","- C32 H36 Cl10 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0242","0.0203","","","0.0515","0.0518","","","","","","2.169","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117888","8.8532","0.0004","26.636","0.0013","9.448","0.0005","90","","99.838","0.002","90","","2195.21","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br2 Cl3 N2 Nb O2 -","- C16 H18 Br2 Cl3 N2 Nb O2 -","- C64 H72 Br8 Cl12 N8 Nb4 O8 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.043","0.0247","","","0.0401","0.0408","","","","","","1.445","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117889","10.9592","0.0004","14.1496","0.0005","12.5713","0.0004","90","","91.137","0.002","90","","1949.03","0.12","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H20 Cl3 N2 Nb O2 -","- C16 H20 Cl3 N2 Nb O2 -","- C64 H80 Cl12 N8 Nb4 O8 -","4","2","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0353","0.029","","","0.0421","0.0427","","","","","","1.369","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117890","7.362","0.0004","9.247","0.0005","16.2248","0.001","78.177","0.003","85.22","0.003","84.498","0.003","1073.81","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N2 Nb O2 -","- C18 H24 Cl3 N2 Nb O2 -","- C36 H48 Cl6 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0306","0.0237","","","0.0556","0.056","","","","","","2.163","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117891","7.4401","0.0003","10.5793","0.0005","16.3555","0.0007","97.765","0.001","95.12","0.002","99.874","0.002","1248.3","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H28 Cl3 N2 Nb O4 -","- C21.5 H28 Cl3 N2 Nb O4 -","- C43 H56 Cl6 N4 Nb2 O8 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0401","0.0332","","","0.0624","0.0633","","","","","","2.445","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117892","7.6003","0.0004","10.5217","0.0006","11.2752","0.0006","64.736","0.002","79.53","0.002","83.34","0.002","801.09","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 Cl3 N2 Nb O2 -","- C11 H18 Cl3 N2 Nb O2 -","- C22 H36 Cl6 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0292","0.0223","","","0.0476","0.0483","","","","","","2.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117893","20.6913","0.0014","12.5611","0.0008","15.4117","0.001","90","","90.294","0.004","90","","4005.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl3 N2 Nb O2 -","- C6 H16 Cl3 N2 Nb O2 -","- C72 H192 Cl36 N24 Nb12 O24 -","12","3","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0514","0.0287","","","0.0408","0.0418","","","","","","1.516","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117894","6.8865","0.0003","12.1853","0.0005","18.5285","0.0008","90","","90","","90","","1554.8","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl3 N2 Nb O2 -","- C9 H20 Cl3 N2 Nb O2 -","- C36 H80 Cl12 N8 Nb4 O8 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0427","0.0313","","","0.0417","0.0425","","","","","","1.31","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117895","11.2001","0.0003","7.35727","0.00017","24.4176","0.0005","90","","99.6203","0.0017","90","","1983.77","0.08","93.1","","93","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 Si -","- C26 H24 Si -","- C104 H96 Si4 -","4","2","","Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio","Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2012","134","17","7305","7308","10.1021/ja302278s","","","1.54187","CuKα","","","0.0491","","","","0.0725","","","","","","1.019","","","","has coordinates","219259","2020-10-21","18:00:00",""
"4117896","9.38743","0.00017","16.3753","0.0003","11.4505","0.0002","90","","100.116","0.001","90","","1732.83","0.05","93.1","","93","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H42 Cl2 Si2 -","- C40 H42 Cl2 Si2 -","- C80 H84 Cl4 Si4 -","2","1","","Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio","Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2012","134","17","7305","7308","10.1021/ja302278s","","","1.54187","CuKα","","","0.0492","","","","0.1305","","","","","","1.081","","","","has coordinates","219259","2020-10-21","18:00:00",""
"4117897","9.1401","0.0005","8.7933","0.0004","9.4025","0.0004","90","","91.943","0.002","90","","755.26","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Cl O6 -","- C15 H15 Cl O6 -","- C30 H30 Cl2 O12 -","2","1","","Kimberly M. Steward; Emily C. Gentry; Jeffrey S. Johnson","Dynamic Kinetic Resolution of α-Keto Esters via Asymmetric Transfer Hydrogenation","Journal of the American Chemical Society","2012","134","","7329","7332","10.1021/ja3027136","","","1.54184","CuKα","","0.0256","0.0254","","","0.0608","0.0609","","","","","","1.061","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117898","6.4784","0.0003","10.9958","0.0004","14.0108","0.0005","88.3476","0.0014","88.2253","0.0014","79.8519","0.0014","981.7","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Co F4 H14 O8 V -","- Co F4 H14 O8 V -","- Co4 F16 H56 O32 V4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.026","0.0219","","","0.0626","0.0637","","","","","","1.046","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117899","6.4359","0.0003","10.8948","0.0004","13.9323","0.0006","88.238","0.002","88.161","0.002","80.212","0.002","961.87","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- F4 H14 Ni O8 V -","- F4 H14 Ni O8 V -","- F16 H56 Ni4 O32 V4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.033","0.0231","","","0.0545","0.0567","","","","","","0.964","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117900","15.63155","0.00015","8.22032","0.00008","7.366","0.00007","90","","90","","90","","946.504","0.016","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- Cu F4 H14 O8 V -","- Cu F4 H14 O8 V -","- Cu4 F16 H56 O32 V4 -","4","1","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","x-ray","0.71069","MoKα","","0.0124","0.012","","","0.0329","0.0339","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117901","6.467","0.0002","10.9809","0.0003","13.985","0.0004","88.35","0.001","88.216","0.001","79.973","0.001","977.2","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- F4 H14 O8 V Zn -","- F4 H14 O8 V Zn -","- F16 H56 O32 V4 Zn4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.0335","0.0229","","","0.0474","0.0492","","","","","","0.949","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117902","4.6377","0.0003","8.0574","0.0006","15.4299","0.0012","90","","90","","90","","576.58","0.07","120","2","120","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H F2 K O4 -","- C4 H F2 K O4 -","- C16 H4 F8 K4 O16 -","4","0.5","","Charles L. Perrin; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Hydrogen-Bond Symmetry in Difluoromaleate Monoanion","Journal of the American Chemical Society","2012","134","","7766","7772","10.1021/ja2117848","","","1.54178","CuKα","","0.0478","0.0427","","","0.112","0.1143","","","","","","1.012","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117903","3.9089","0.000005","3.9089","","13.412281","0.000025","90","","90","","90","","204.933","0.0005","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K Ni2 Se2 -","- K Ni2 Se2 -","- K2 Ni4 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.41335","synchrotron","","","","","","","","","","1.71","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117904","3.9061","0.0001","3.9061","","13.4278","0.0003","90","","90","","90","","204.876","0.007","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.95 Ni2 Se2 -","- K0.955 Ni1.999 Se2 -","- K1.91 Ni3.998 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","6.7","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117905","3.9018","0.0001","3.9018","","13.469","0.001","90","","90","","90","","205.053","0.016","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.9 Ni2 Se2 -","- K0.913 Ni2 Se2 -","- K1.826 Ni4 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","7.94","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117906","3.8922","0.0002","3.8922","","13.523","0.001","90","","90","","90","","204.863","0.018","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.8 Ni2 Se2 -","- K0.802 Ni2.001 Se2 -","- K1.604 Ni4.002 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","7.48","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117907","9.955","0.002","10.647","0.002","11.809","0.002","99.44","0.03","102.31","0.03","112.85","0.03","1083.7","0.5","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O4 Ru -","- C24 H24 O4 Ru -","- C48 H48 O8 Ru2 -","2","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0343","0.0291","","","0.0876","0.0919","","","","","","0.688","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117908","13.3535","0.0012","13.8763","0.0013","15.4248","0.0014","64.42","0.001","69.503","0.001","62.713","0.001","2249.5","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 Cl N O5 Ru -","- C51 H52 Cl N O5 Ru -","- C102 H104 Cl2 N2 O10 Ru2 -","2","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0511","0.0417","","","0.1138","0.1238","","","","","","1.022","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117909","9.466","0.0019","19.36","0.004","10.995","0.002","90","","110.29","0.03","90","","1889.9","0.7","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F6 O5 Ru -","- C14 H14 F6 O5 Ru -","- C56 H56 F24 O20 Ru4 -","4","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0659","0.055","","","0.1486","0.1563","","","","","","1","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117910","15.1733","0.0004","15.9533","0.0004","16.7953","0.0004","76.032","0.002","74.752","0.002","65.31","0.002","3523.49","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C118.5 H56 N4 Ni S Sc2 -","- C118.5 H56 N4 Ni S0.9998 Sc1.9996 -","- C237 H112 N8 Ni2 S1.9996 Sc3.9992 -","2","1","","Ning Chen; Christine M. Beavers; Marc Mulet-Gas; Antonio Rodríguez-Fortea; Elias J. Munoz; Yu-Yang Li; Marilyn M. Olmstead; Alan L. Balch; Josep M. Poblet; Luis Echegoyen","Sc2S@Cs(10528)-C72: A Dimetallic Sulfide Endohedral Fullerene with a Non Isolated Pentagon Rule Cage","Journal of the American Chemical Society","2012","134","","7851","7860","10.1021/ja300765z","","","0.7749","synchrotron","","0.0793","0.0569","","","0.1451","0.1625","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117911","11.6013","0.0008","13.9439","0.001","27.054","0.002","85.265","0.005","84.042","0.005","71.743","0.004","4127.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H113 N4 O9 Ru2 -","- C100 H113 N4 O9 Ru2 -","- C200 H226 N8 O18 Ru4 -","2","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.1553","0.1156","","","0.1515","0.1538","","","","","","2.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117912","18.4243","0.0007","17.626","0.0007","23.0612","0.001","90","","90","","90","","7489","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H50 N2 O6 Ru -","- C40 H50 N2 O6 Ru -","- C320 H400 N16 O48 Ru8 -","8","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0973","0.0405","","","0.0549","0.0571","","","","","","2.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117913","10.1016","0.0006","19.2228","0.0011","24.4253","0.0015","90","","96.785","0.004","90","","4709.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H64 N2 O5 Ru -","- C45 H64 N2 O5 Ru -","- C180 H256 N8 O20 Ru4 -","4","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0792","0.0365","","","0.0463","0.0486","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117914","29.559","0.0013","10.0593","0.0004","19.4668","0.0009","90","","123.744","0.002","90","","4813.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 Cl2 N2 O Ru -","- C27 H28 Cl2 N2 O Ru -","- C216 H224 Cl16 N16 O8 Ru8 -","8","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0556","0.0351","","","0.0531","0.0544","","","","","","1.877","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117915","6.8168","0.0013","16.553","0.004","23.215","0.004","90","","101.414","0.017","90","","2567.7","0.9","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C112 H112 O32 -","8","2","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.2236","0.119","","","0.2097","0.2684","","","","","","1.136","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117916","9.4781","0.0003","13.8557","0.0004","27.3763","0.0005","90","","95.713","0.005","90","","3577.35","0.17","295","2","295","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H112 N2 O12 -","- C74 H112 N2 O12 -","- C148 H224 N4 O24 -","2","0.5","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.1308","0.0565","","","0.1076","0.1258","","","","","","1","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117917","14.69","0.004","6.6624","0.0012","18.941","0.011","90","","96.85","0.03","90","","1840.5","1.2","200","1","200","1","","","","","","","synthesis as described","5","P 1 a 1","P -2ya","7","","","","- C32 H27 N2 O6 S12 -","- C32 H27 N2 O6 S12 -","- C64 H54 N4 O12 S24 -","2","1","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.1161","0.0761","","","0.1787","0.1942","","","","","","1.015","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117918","9.0559","0.0014","21.526","0.003","9.1804","0.0015","90","","114.203","0.0016","90","","1632.3","0.4","243","2","243","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 N4 O12 P3 Zn -","- C6 H15 N4 O12 P3 Zn -","- C24 H60 N16 O48 P12 Zn4 -","4","1","","Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity","Journal of the American Chemical Society","2012","134","","7612","7615","10.1021/ja301875x","","","0.71075","MoKα","","0.0477","0.0401","","","0.1179","0.1263","","","","","","0.943","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117919","9.009","0.002","21.83","0.005","9.235","0.002","90","","114.064","0.003","90","","1658.4","0.6","348","2","348","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 N4 O12 P3 Zn -","- C6 H15 N4 O12 P3 Zn -","- C24 H60 N16 O48 P12 Zn4 -","4","1","","Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity","Journal of the American Chemical Society","2012","134","","7612","7615","10.1021/ja301875x","","","0.71075","MoKα","","0.1036","0.0675","","","0.1631","0.1915","","","","","","1.053","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117920","10.3706","0.0003","11.7881","0.0003","14.3895","0.0003","109.09","0.0007","102.32","0.0008","97.1448","0.0006","1587.77","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 Fe2 Ga N -","- C37 H46 Fe2 Ga N -","- C74 H92 Fe4 Ga2 N2 -","2","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0776","0.0767","","","0.1944","0.1961","","","","","","1.046","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117921","10.7202","0.0004","17.673","0.0006","14.0352","0.0005","90","","109.973","0.001","90","","2499.15","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 Ga N -","- C24 H36 Cl2 Ga N -","- C96 H144 Cl8 Ga4 N4 -","4","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0427","0.0424","","","0.1179","0.1182","","","","","","1.055","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117922","14.7365","0.0003","10.9109","0.0002","21.9806","0.0005","90","","101.421","0.001","90","","3464.24","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 Al Fe2 N -","- C40 H49 Al Fe2 N -","- C160 H196 Al4 Fe8 N4 -","4","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0772","0.066","","","0.1673","0.1799","","","","","","1.031","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117923","21.6727","0.0018","7.9317","0.0006","18.628","0.0016","90","","115.072","0.001","90","","2900.5","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 O6 S2 -","- C36 H28 O6 S2 -","- C144 H112 O24 S8 -","4","1","","Ken Yamashita; Yoshihiko Yamamoto; Hisao Nishiyama","Ruthenium-Catalyzed Transfer Oxygenative Cyclization of α,ω-Diynes: Unprecedented [2 + 2 + 1] Route to Bicyclic Furans via Ruthenacyclopentatriene","Journal of the American Chemical Society","2012","134","","7660","7663","10.1021/ja302868s","","","0.71073","MoKα","","0.0633","0.0459","","","0.1056","0.1135","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117924","11.6967","0.0007","17.9618","0.001","23.3919","0.0014","90","","90","","90","","4914.5","0.5","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H56 B F4 Ir N O2 P -","- C59 H56 B F4 Ir N O2 P -","- C236 H224 B4 F16 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0467","0.0344","","","0.0627","0.0664","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117925","11.8217","0.0004","17.9236","0.0006","23.4719","0.0009","90","","90","","90","","4973.4","0.3","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H54 B F6 Ir N O2 P -","- C59 H54 B F6 Ir N O2 P -","- C236 H216 B4 F24 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0737","0.0436","","","0.0694","0.0776","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117926","11.7247","0.0004","17.6448","0.0006","23.93","0.0008","90","","90","","90","","4950.6","0.3","193","2","193","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 B Br F4 Ir N O2 P -","- C59 H55 B Br F4 Ir N O2 P -","- C236 H220 B4 Br4 F16 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0432","0.0316","","","0.0662","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117927","26.0148","0.0012","26.0148","0.0012","43.71","0.004","90","","90","","90","","29582","3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Ni24 O126 S24 -","- C312 H288 Ni24 O126 S24 -","- C624 H576 Ni48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.1226","0.104","","","0.3171","0.3438","","","","","","1.04","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117928","26.1192","0.0014","26.1192","0.0014","43.919","0.005","90","","90","","90","","29962","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Co24 O126 S24 -","- C312 H288 Co24 O126 S24 -","- C624 H576 Co48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0905","0.0749","","","0.2303","0.2475","","","","","","0.992","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117929","26.1265","0.0012","26.1265","0.0012","43.923","0.004","90","","90","","90","","29982","3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O126 S24 -","- C312 H288 Mg24 O126 S24 -","- C624 H576 Mg48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0871","0.0807","","","0.2982","0.3097","","","","","","1.111","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117930","25.5358","0.001","25.5358","0.001","60.059","0.005","90","","90","","120","","33916","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H108 Ni24 O126 S24 -","- C216 H96 Ni24 O126 S24 -","- C648 H288 Ni72 O378 S72 -","3","0.166667","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0786","0.0663","","","0.2154","0.2254","","","","","","1.019","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117931","25.7198","0.0007","25.7198","0.0007","60.934","0.003","90","","90","","120","","34908","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H156 Co24 O126 S24 -","- C216 H144 Co24 O126 S24 -","- C648 H432 Co72 O378 S72 -","3","0.166667","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0466","0.039","","","0.1146","0.1176","","","","","","1.139","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117932","10.2222","0.0004","12.2208","0.0005","13.5228","0.0005","101.287","0.0005","110.519","0.0005","111.563","0.0004","1365.44","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Cl2 N4 Rh2 -","- C58 H80 Cl2 N4 Rh2 -","- C58 H80 Cl2 N4 Rh2 -","1","0.5","","Andrea Di Giuseppe; Ricardo Castarlenas; Jesús J. Pérez-Torrente; Marcello Crucianelli; Victor Polo; Rodrigo Sancho; Fernando J. Lahoz; Luis A. Oro","Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by Rhodium N-Heterocyclic Carbene Catalysts","Journal of the American Chemical Society","2012","134","","8171","8183","10.1021/ja300396h","","","0.71073","MoKα","","0.0227","0.0216","","","0.0553","0.056","","","","","","1.035","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117933","10.374","0.003","10.874","0.003","17.559","0.004","85.301","0.003","75.467","0.003","72.538","0.003","1829","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 Cl N3 Rh -","- C40 H55 Cl N3 Rh -","- C80 H110 Cl2 N6 Rh2 -","2","1","","Andrea Di Giuseppe; Ricardo Castarlenas; Jesús J. Pérez-Torrente; Marcello Crucianelli; Victor Polo; Rodrigo Sancho; Fernando J. Lahoz; Luis A. Oro","Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by Rhodium N-Heterocyclic Carbene Catalysts","Journal of the American Chemical Society","2012","134","","8171","8183","10.1021/ja300396h","","","0.71073","MoKα","","0.0893","0.0571","","","0.1263","0.1372","","","","","","1.003","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117934","16.1343","0.0015","16.1343","0.0015","16.1343","0.0015","90","","90","","90","","4200","0.7","100","2","100","2","","","","","","","","4","P 4 3 2","P 4 2 3","207","","","","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","1","0.0416667","","Xiao-Ping Zhou; Jie Liu; Shun-Ze Zhan; Ju-Rong Yang; Dan Li; Kwan-Ming Ng; Raymond Wai-Yin Sun; Chi-Ming Che","A High-Symmetry Coordination Cage from 38- or 62-Component Self-Assembly","Journal of the American Chemical Society","2012","134","","8042","8045","10.1021/ja302142c","","","1.5418","CuKα","","0.1639","0.0958","","","0.221","0.2567","","","","","","0.913","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117935","16.2323","0.0005","16.2323","0.0005","16.2323","0.0005","90","","90","","90","","4277","0.2","293","2","293","2","","","","","","","","4","P 4 3 2","P 4 2 3","207","","","","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","1","0.0416667","","Xiao-Ping Zhou; Jie Liu; Shun-Ze Zhan; Ju-Rong Yang; Dan Li; Kwan-Ming Ng; Raymond Wai-Yin Sun; Chi-Ming Che","A High-Symmetry Coordination Cage from 38- or 62-Component Self-Assembly","Journal of the American Chemical Society","2012","134","","8042","8045","10.1021/ja302142c","","","1.5418","CuKα","","0.1586","0.105","","","0.25","0.2838","","","","","","0.996","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117936","14.43","0.003","40.91","0.009","30.645","0.006","90","","101.996","0.003","90","","17696","6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132 H172 Cd4 N12 Ni4 O32 -","- C132 H162 Cd4 N12 Ni4 O32 -","- C528 H648 Cd16 N48 Ni16 O128 -","4","1","","Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui","Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2012","134","","8058","8061","10.1021/ja302340b","","","0.71073","MoKα","","0.1838","0.1072","","","0.2559","0.3104","","","","","","0.996","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117937","14.2697","0.0009","40.363","0.003","30.931","0.002","90","","102.623","0.005","90","","17385","2","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C140 H176 Cd4 Co4 N12 O36 -","- C140 H157 Cd4 Co4 N12 O36 -","- C560 H628 Cd16 Co16 N48 O144 -","4","1","","Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui","Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2012","134","","8058","8061","10.1021/ja302340b","","","1.54178","CuKα","","0.1459","0.1294","","","0.3254","0.3375","","","","","","1.065","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117938","9.3676","0.0008","10.5455","0.0009","13.8622","0.0011","88.235","0.002","72.615","0.002","63.819","0.002","1164.57","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H39 N O -","- C28 H38.66 N O -","- C56 H77.32 N2 O2 -","2","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0566","0.0478","","","0.1314","0.1401","","","","","","1.022","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117939","8.0406","0.001","9.7562","0.0012","17.27","0.002","91.331","0.002","94.771","0.002","90.583","0.002","1349.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 N O4 S -","- C32 H37 N O4 S -","- C64 H74 N2 O8 S2 -","2","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0613","0.0406","","","0.1118","0.1375","","","","","","0.874","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117940","8.9538","0.0007","22.0679","0.0017","26.333","0.002","90","","90","","90","","5203.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 S -","- C30 H33 N O4 S -","- C240 H264 N8 O32 S8 -","8","2","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0804","0.0564","","","0.1091","0.1183","","","","","","1.058","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117941","13.4405","0.0014","8.5144","0.0009","22.05","0.002","90","","94.138","0.002","90","","2516.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N O4 S -","- C30 H31 N O4 S -","- C120 H124 N4 O16 S4 -","4","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.1387","0.0714","","","0.1428","0.1673","","","","","","1.027","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117942","9.0959","0.0004","16.5417","0.0007","18.7217","0.0008","90","","90","","90","","2816.9","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 Br3 N4 O -","- C33 H25 Br3 N4 O -","- C132 H100 Br12 N16 O4 -","4","1","","Daniel A. DiRocco; Tomislav Rovis","Catalytic Asymmetric α-Acylation of Tertiary Amines Mediated by a Dual Catalysis Mode: N-Heterocyclic Carbene and Photoredox Catalysis","Journal of the American Chemical Society","2012","134","","8094","8097","10.1021/ja3030164","","","0.71073","MoKα","","0.0663","0.0388","","","0.085","0.1144","","","","","","1.087","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117943","10.6294","0.0003","14.2671","0.0004","23.8757","0.0007","90","","102.499","0.0012","90","","3534.95","0.18","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B Br I2 N4 -","- C38 H34 B Br I2 N4 -","- C152 H136 B4 Br4 I8 N16 -","4","1","","Sebastian M. Walter; Florian Kniep; Laxmidhar Rout; Franz P. Schmidtchen; Eberhardt Herdtweck; Stefan M. Huber","Isothermal Calorimetric Titrations on Charge-Assisted Halogen Bonds: Role of Entropy, Counterions, Solvent, and Temperature","Journal of the American Chemical Society","2012","134","","8507","8512","10.1021/ja2119207","","","0.71073","MoKα","","0.0159","0.015","","","0.0383","0.0389","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117944","9.9349","0.0006","10.7892","0.0007","13.8083","0.001","80.842","0.003","76.789","0.003","89.087","0.003","1422.25","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O2 -","- C14 H22 N2 O2 -","- C56 H88 N8 O8 -","4","2","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","x-ray","0.71073","MoKα","","0.1266","0.0595","","","0.1369","0.1746","","","","","","0.991","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117945","5.4005","0.0003","9.7681","0.0006","14.5879","0.001","108.01","0.003","96.889","0.004","90.574","0.004","725.66","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C28 H44 N4 O8 -","2","1","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","","0.71073","MoKα","","0.081","0.0561","","","0.1576","0.19","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117946","5.3008","0.0004","9.8123","0.0007","15.3621","0.0009","104.132","0.004","91.046","0.003","94.447","0.004","771.94","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N2 O2 S2 -","- C14 H22 N2 O2 S2 -","- C28 H44 N4 O4 S4 -","2","1","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","x-ray","0.71073","MoKα","","0.0919","0.0671","","","0.1766","0.1873","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117947","8.0084","0.0003","21.0943","0.0008","11.4508","0.0004","90","","100.991","0.002","90","","1898.92","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H12 F20 Fe N6 O4 -","- C38 H12 F20 Fe N6 O4 -","- C76 H24 F40 Fe2 N12 O8 -","2","0.5","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0568","0.0416","","","0.0527","0.0534","","","","","","2.186","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117948","9.0623","0.0004","13.586","0.0006","18.751","0.0009","100.956","0.002","96.719","0.003","94.164","0.003","2240.31","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H11.31 B1.69 Cl3 F23.4 Fe N6 O4 -","- C39 H11.2908 B1.7092 Cl3 F23.4184 Fe N6 O4 -","- C78 H22.5816 B3.4184 Cl6 F46.8368 Fe2 N12 O8 -","2","1","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0623","0.0425","","","0.0521","0.0528","","","","","","2.168","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117949","9.0321","0.0004","30.6711","0.0013","15.7862","0.0007","90","","95.441","0.003","90","","4353.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H11 B1.3 Cl3 F22.62 Fe N6 O4 -","- C39 H11 B1.317 Cl3 F22.634 Fe N6 O4 -","- C156 H44 B5.268 Cl12 F90.536 Fe4 N24 O16 -","4","1","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0811","0.0666","","","0.1137","0.1147","","","","","","3.1","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117950","8.3759","0.0002","21.409","0.0005","12.8492","0.0003","90","","107.149","0.003","90","","2201.68","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H66 Cu2 F12 N6 O4 Sb2 -","- C28 H66 Cu2 F12 N6 O4 Sb2 -","- C56 H132 Cu4 F24 N12 O8 Sb4 -","2","0.5","","Ga Young Park; Munzarin F. Qayyum; Julia Woertink; Keith O. Hodgson; Britt Hedman; Amy A. Narducci Sarjeant; Edward I. Solomon; Kenneth D. Karlin","Geometric and Electronic Structure of [{Cu(MeAN)}2(μ-η2:η2(O22-))]2+ with an Unusually Long O-O Bond: O-O Bond Weakening vs Activation for Reductive Cleavage","Journal of the American Chemical Society","2012","134","","8513","8524","10.1021/ja300674m","","","0.71073","MoKα","","0.0554","0.0405","","","0.0862","0.0929","","","","","","1.145","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117951","19.6334","0.0013","38.328","0.003","35.902","0.002","90","","99.977","0.002","90","","26608","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2c","","","- C188 H216 Mo N36 O23 Zn4 -","- C188 H216 Mo N36 O23 Zn4 -","- C752 H864 Mo4 N144 O92 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1398","0.1004","","","0.2753","0.2998","","","","","","0.987","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117952","27.4685","0.0019","27.4685","0.0019","19.581","0.003","90","","90","","120","","12795","2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","1a","","","- C138 H120 N36 Ni4 O10 S -","- C138 H120 N36 Ni4 O10 S -","- C414 H360 N108 Ni12 O30 S3 -","3","0.333333","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.0611","0.0491","","","0.1113","0.1171","","","","","","0.966","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117953","27.5237","0.0012","27.5237","0.0012","19.5581","0.0018","90","","90","","120","","12831.3","1.4","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","1b","","","- C138 H120 N39 Ni4 O38 P -","- C138 H120 N39 Ni4 O38 P -","- C414 H360 N117 Ni12 O114 P3 -","3","0.333333","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.132","0.1131","","","0.2811","0.3016","","","","","","1.263","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117954","19.6077","0.001","38.301","0.002","35.8262","0.0019","90","","99.45","0.001","90","","26540","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2a","","","- C192 H216 N39 O76 S Zn4 -","- C192 H216 N39 O76 S Zn4 -","- C768 H864 N156 O304 S4 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1486","0.1086","","","0.3066","0.3335","","","","","","1.141","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117955","19.6631","0.0012","38.377","0.002","36.123","0.002","90","","100.995","0.001","90","","26758","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2b","","","- C189 H216 Cr N36 O29 Zn4 -","- C189 H216 Cr N36 O29 Zn4 -","- C756 H864 Cr4 N144 O116 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1491","0.1067","","","0.3006","0.3247","","","","","","1.068","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117956","10.3495","0.0011","4.7632","0.0005","17.684","0.002","90","","90","","90","","871.76","0.16","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs4 I12 Sn4 -","4","0.5","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0421","0.0288","","","0.0536","0.0563","","","","","","1.049","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117957","6.2057","0.0007","6.2057","0.0007","6.2057","0.0007","90","","90","","90","","238.99","0.05","500","2","500","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs I3 Sn -","1","0.0208333","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0345","0.0289","","","0.069","0.0707","","","","","","1.171","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117958","8.7182","0.0008","8.7182","0.0008","6.1908","0.0006","90","","90","","90","","470.54","0.08","380","2","380","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs2 I6 Sn2 -","2","0.125","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0822","0.0656","","","0.152","0.1599","","","","","","1.128","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117959","8.6885","0.0005","12.3775","0.0004","8.6384","0.0006","90","","90","","90","","928.99","0.09","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs4 I12 Sn4 -","4","0.5","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0553","0.0431","","","0.0954","0.0991","","","","","","1.192","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117960","45.7446","0.0011","31.0966","0.0005","45.7325","0.0011","90","","92.945","0.002","90","","64969","2","100","2","100","1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25 -","- C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25 -","- C1970 H1344 Eu56 F150 N288 O438 S50 -","8","2","","Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti","Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel","Journal of the American Chemical Society","2012","134","","8372","8375","10.1021/ja3020814","","","0.70093","synchrotron","","0.1119","0.0975","","","0.2698","0.2913","","","","","","1.013","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117961","17.3261","0.0002","32.2069","0.0003","32.3667","0.0003","90","","90","","90","","18061.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42.88 H35.5 Eu F3 N6 O10.88 S -","- C42.875 H35.5 Eu F3 N6 O10.875 S -","- C686 H568 Eu16 F48 N96 O174 S16 -","16","4","","Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti","Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel","Journal of the American Chemical Society","2012","134","","8372","8375","10.1021/ja3020814","","","0.71073","MoKα","","0.0969","0.0439","","","0.0769","0.0833","","","","","","0.776","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117962","11.7144","0.0012","8.8267","0.001","20.144","0.003","90","","101.94","0.005","90","","2037.8","0.4","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 Br F3 N O3 -","- C20 H21 Br F3 N O3 -","- C80 H84 Br4 F12 N4 O12 -","4","2","","Jeffrey S. Arnold; Hien M. Nguyen","Rhodium-Catalyzed Dynamic Kinetic Asymmetric Transformations of Racemic Tertiary Allylic Trichloroacetimidates with Anilines","Journal of the American Chemical Society","2012","134","","8380","8383","10.1021/ja302223p","","","0.71073","MoKα","","0.0472","0.0344","","","0.0744","0.0795","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117963","36.5619","0.001","17.2565","0.0006","32.5545","0.0014","90","","120.74","0.001","90","","17653.7","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82.5 H107.5 N10 O21.5 -","- C82.5 H99.5 N10 O21.5 -","- C660 H796 N80 O172 -","8","1","","Xiao-Bo Hu; Zhenxia Chen; Gangfeng Tang; Jun-Li Hou; Zhan-Ting Li","Single-Molecular Artificial Transmembrane Water Channels","Journal of the American Chemical Society","2012","134","","8384","8387","10.1021/ja302292c","","","1.54178","CuKα","","0.1678","0.1368","","","0.3794","0.4156","","","","","","1.804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117964","40.537","0.003","10.192","0.0008","18.2312","0.0013","90","","95.188","0.002","90","","7501.4","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H52 Cd3 Cu N6 O16 -","- C52 H52 Cd3 Cu N6 O16 -","- C208 H208 Cd12 Cu4 N24 O64 -","4","1","","Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen","Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules","Journal of the American Chemical Society","2012","134","","8703","8710","10.1021/ja302380x","","","0.71073","MoKα","","0.0891","0.0673","","","0.1795","0.1965","","","","","","1.024","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117965","10.3562","0.0003","17.8979","0.0005","44.1383","0.0014","90","","90","","90","","8181.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H94 Cd3 Cu N11 O21 -","- C71 H94 Cd3 Cu N11 O21 -","- C284 H376 Cd12 Cu4 N44 O84 -","4","1","","Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen","Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules","Journal of the American Chemical Society","2012","134","","8703","8710","10.1021/ja302380x","","","0.71073","MoKα","","0.0631","0.0457","","","0.1127","0.1234","","","","","","1.02","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117966","3.3717","0.00018","3.3717","","5.3855","0.0007","90","","90","","120","","53.022","0.007","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mn O -","- Mn O -","- Mn2 O2 -","2","0.166667","","Ki Min Nam; Yong-Il Kim; Younghun Jo; Seung Mi Lee; Bog G. Kim; Ran Choi; Sang-Il Choi; Hyunjoon Song; Joon T. Park","New Crystal Structure: Synthesis and Characterization of Hexagonal Wurtzite MnO","Journal of the American Chemical Society","2012","134","","8392","8395","10.1021/ja302440y","powder diffraction","","","","","","","","","","","","","1.18","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117967","12.1787","0.0004","13.9544","0.0005","20.7259","0.0007","80.666","0.003","83.051","0.003","81.95","0.003","3424","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C65 H90 O10 -","- C65 H90 O10 -","- C130 H180 O20 -","2","1","","Guocan Yu; Chengyou Han; Zibin Zhang; Jianzhuang Chen; Xuzhou Yan; Bo Zheng; Shiyong Liu; Feihe Huang","Pillar[6]arene-Based Photoresponsive Host-Guest Complexation","Journal of the American Chemical Society","2012","134","","8711","8717","10.1021/ja302998q","","","1.54184","CuKα","","0.0932","0.0815","","","0.2547","0.2714","","","","","","1.054","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117968","13.2244","0.001","13.7845","0.001","23.3051","0.0012","89.203","0.005","79.553","0.005","76.373","0.006","4058.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C78 H108 O12 -","- C78 H108 O12 -","- C156 H216 O24 -","2","1","","Guocan Yu; Chengyou Han; Zibin Zhang; Jianzhuang Chen; Xuzhou Yan; Bo Zheng; Shiyong Liu; Feihe Huang","Pillar[6]arene-Based Photoresponsive Host-Guest Complexation","Journal of the American Chemical Society","2012","134","","8711","8717","10.1021/ja302998q","","","1.54184","CuKα","","0.1758","0.14","","","0.3813","0.4244","","","","","","1.45","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117969","8.2014","0.0005","22.2986","0.0013","28.7001","0.0017","90","","90","","90","","5248.7","0.5","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Ho Si3 -","- C24 H39 Ho Si3 -","- C192 H312 Ho8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.022","0.0176","","","0.0435","0.0457","","","","","","1.047","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117970","11.2526","0.0015","16.943","0.002","22.475","0.003","90","","90","","90","","4284.9","1","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 Ho K O6 Si3 -","- C36 H63 Ho K O6 Si3 -","- C144 H252 Ho4 K4 O24 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0432","0.0378","","","0.0657","0.067","","","","","","1.134","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117971","11.2622","0.0006","16.9412","0.001","22.451","0.0013","90","","90","","90","","4283.5","0.4","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 Er K O6 Si3 -","- C36 H63 Er K O6 Si3 -","- C144 H252 Er4 K4 O24 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0157","0.015","","","0.0352","0.0355","","","","","","1.039","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117972","8.1874","0.0004","22.3083","0.0012","28.5628","0.0015","90","","90","","90","","5216.9","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Er Si3 -","- C24 H39 Er Si3 -","- C192 H312 Er8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0309","0.0231","","","0.047","0.0494","","","","","","1.092","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117973","6.04693","0.00004","7.43176","0.00006","33.64396","0.0002","90","","90","","90","","1511.94","0.018","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54184","CuKα","","0.0284","0.0279","","","0.0723","0.0726","","","","","","1.034","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117974","9.2488","0.0001","5.6157","0.0001","18.4938","0.0003","90","","103.113","0.001","90","","935.49","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O -","- C25 H23 N O -","- C50 H46 N2 O2 -","2","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0273","0.0269","","","0.0732","0.0737","","","","","","1.059","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117975","6.16","0.00003","14.96421","0.0001","7.96235","0.00005","90","","90.1372","0.0005","90","","733.964","0.008","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54184","CuKα","","0.0236","0.0235","","","0.0628","0.0628","","","","","","1.042","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117976","24.3724","0.0003","5.7222","0.0001","24.8875","0.0004","90","","104.722","0.002","90","","3356.96","0.09","120","2","120","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F3 N O -","- C20 H18 F3 N O -","- C160 H144 F24 N8 O8 -","8","2","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0393","0.0387","","","0.1053","0.1061","","","","","","1.064","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117977","7.4375","0.0001","14.1636","0.0001","16.3831","0.0001","90","","90","","90","","1725.82","0.03","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C80 H76 N4 O8 S4 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0212","0.0212","","","0.0586","0.0587","","","","","","1.058","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117978","6.5739","0.0001","13.1819","0.0001","18.6778","0.0001","90","","90","","90","","1618.55","0.03","150","","150","","","","","","","","Aakarsh Saxena and Hon Lam sample BC77E","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0233","0.023","","0.0456","0.0455","0.0456","","","","","","0.9967","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117979","9.6783","0.001","7.2752","0.0007","10.8776","0.0012","90","","108.221","0.007","90","","727.5","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 B O2 -","- C15 H27 B O2 -","- C30 H54 B2 O4 -","2","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","1.54178","CuKα","","0.0549","0.0538","","","0.1455","0.1473","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117980","7.5496","0.0002","11.4129","0.0003","17.1245","0.0004","90","","90","","90","","1475.5","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B O2 -","- C15 H27 B O2 -","- C60 H108 B4 O8 -","4","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","1.54178","CuKα","","0.0389","0.0388","","","0.1012","0.1013","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117981","9.7979","0.0009","5.9478","0.0005","13.9756","0.0012","90","","94.997","0.001","90","","811.35","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 I O2 -","- C16 H27 I O2 -","- C32 H54 I2 O4 -","2","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","0.71073","MoKα","","0.0204","0.019","","","0.0463","0.0473","","","","","","1.016","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117982","7.7437","0.0008","10.4774","0.0011","9.3702","0.001","90","","94.759","0.004","90","","757.62","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RJPC115","toste62","","- C19 H18 F N O -","- C19 H18 F N O -","- C38 H36 F2 N2 O2 -","2","1","","Robert J. Phipps; Kenichi Hiramatsu; F. Dean Toste","Asymmetric Fluorination of Enamides: Access to α-Fluoroimines Using an Anionic Chiral Phase-Transfer Catalyst","Journal of the American Chemical Society","2012","134","","8376","8379","10.1021/ja303959p","","","1.54178","CuKα","","0.0272","0.0271","","","0.0726","0.0726","","","","","","1.065","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117983","8.1004","0.0003","9.5201","0.0003","18.1022","0.0007","78.606","0.002","77.336","0.003","77.1","0.002","1311.34","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H36 B N7 O Pt -","- C25 H36 B N7 O Pt -","- C50 H72 B2 N14 O2 Pt2 -","2","1","","Bryan E. Frauhiger; Matthew T. Ondisco; Peter S. White; Joseph L. Templeton","Seeking a Mechanistic Analogue of the Water-Gas Shift Reaction: Carboxamido Ligand Formation and Isocyanate Elimination from Complexes Containing the Tp'PtMe Fragment","Journal of the American Chemical Society","2012","134","","8902","8910","10.1021/ja301213j","","","1.54178","CuKα","","0.043","0.0403","","","0.1038","0.1051","","","","","","1.198","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117984","38.622","0.003","14.0053","0.0008","30.3354","0.0019","90","","97.022","0.002","90","","16285.7","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H194 N4 O56 Ti17 -","- C134 H194 N4 O56 Ti17 -","- C536 H776 N16 O224 Ti68 -","4","0.5","","Robert C. Snoeberger; Karin J. Young; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Gary W. Brudvig; Philip Coppens; Victor, S. Batista; Jason B. Benedict","Interfacial Electron Transfer into Functionalized Crystalline Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","8911","8917","10.1021/ja301238t","","","0.71073","MoKα","","0.0657","0.0386","","","0.0913","0.1064","","","","","","1.056","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117985","12.40931","0.00014","14.52864","0.00016","27.6028","0.0003","90","","90","","90","","4976.52","0.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B F4 Fe N5 S -","- C26 H24 B F4 Fe N5 S -","- C208 H192 B8 F32 Fe8 N40 S8 -","8","1","","Alison C. McQuilken; Yunbo Jiang; Maxime A. Siegler; David P. Goldberg","Addition of Dioxygen to an N4S(thiolate) Iron(II) Cysteine Dioxygenase Model Gives a Structurally Characterized Sulfinato-Iron(II) Complex","Journal of the American Chemical Society","2012","134","","8758","8761","10.1021/ja302112y","","","0.71073","MoKα","","0.0355","0.0297","","","0.0739","0.077","","","","","","1.051","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117986","9.3797","0.0003","18.0863","0.0005","15.6327","0.0004","90","","95.97","0.002","90","","2637.61","0.13","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Fe N5 O2 S2 -","- C25 H21 Fe N5 O2 S2 -","- C100 H84 Fe4 N20 O8 S8 -","4","1","","Alison C. McQuilken; Yunbo Jiang; Maxime A. Siegler; David P. Goldberg","Addition of Dioxygen to an N4S(thiolate) Iron(II) Cysteine Dioxygenase Model Gives a Structurally Characterized Sulfinato-Iron(II) Complex","Journal of the American Chemical Society","2012","134","","8758","8761","10.1021/ja302112y","","","0.71073","MoKα","","0.0673","0.0488","","","0.122","0.1284","","","","","","1.046","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117987","12.0642","0.0012","14.1822","0.0014","19.0245","0.0019","85.522","0.002","77.811","0.002","80.666","0.002","3136.3","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H42 B Cu F24 N4 -","- C64 H42 B Cu F24 N4 -","- C128 H84 B2 Cu2 F48 N8 -","2","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0665","0.0426","","","0.1008","0.1167","","","","","","0.99","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117988","24.361","0.002","20.0178","0.0019","25.469","0.002","90","","106.88","0.002","90","","11884.9","1.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C488 H360 B8 Cu8 F192 N24 -","8","2","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.1036","0.0472","","","0.0903","0.1161","","","","","","1.038","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117989","14.606","0.004","18.18","0.005","44.321","0.012","90","","90","","90","","11769","6","123","2","123","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C488 H360 B8 Cu8 F192 N24 -","8","0.5","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.1341","0.0609","","","0.1449","0.1997","","","","","","1.148","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117990","10.472","0.005","16.133","0.005","34.264","0.005","90","0.005","95.026","0.005","90","0.005","5766","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C244 H180 B4 Cu4 F96 N12 -","4","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71069","MoKα","","0.0731","0.0429","","","0.1006","0.1217","","","","","","1.043","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117991","14.4511","0.0016","14.9083","0.0017","15.8106","0.0018","103.855","0.002","91.899","0.002","105.897","0.002","3162.8","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H104 B2 Cu2 F48 N8 -","- C124 H104 B2 Cu2 F48 N8 -","- C124 H104 B2 Cu2 F48 N8 -","1","0.5","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0629","0.0445","","","0.1059","0.1183","","","","","","1.018","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117992","10.081","0.001","11.1274","0.0011","19.0831","0.0019","90","","93.183","0.001","90","","2137.4","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H21 B Cu F4 N3 -","- C23 H21 B Cu F4 N3 -","- C92 H84 B4 Cu4 F16 N12 -","4","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0565","0.049","","","0.1242","0.1291","","","","","","1.091","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117993","13.2065","0.0015","11.7609","0.0013","13.2632","0.0015","90","","119.393","0.002","90","","1794.9","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl N O2 S -","- C16 H26 Cl N O2 S -","- C64 H104 Cl4 N4 O8 S4 -","4","2","","Kohsuke Ohmatsu; Yuta Hamajima; Takashi Ooi","Catalytic Asymmetric Ring Openings of Meso and Terminal Aziridines with Halides Mediated by Chiral 1,2,3-Triazolium Silicates","Journal of the American Chemical Society","2012","134","","8794","8797","10.1021/ja3028668","","","0.71073","MoKα","","0.0555","0.0539","","","0.1502","0.1519","","","","","","1.024","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117994","7.587","0.0001","11.3799","0.0002","12.9699","0.0002","71.545","0.001","83.927","0.001","76.973","0.001","1034.17","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Mattson 1866","","","- C21 H14 B F8 N3 O3 -","- C21 H14 B F8 N3 O3 -","- C42 H28 B2 F16 N6 O6 -","2","1","","Sonia S. So; Anita E. Mattson","Urea Activation of α-Nitrodiazoesters: An Organocatalytic Approach to N-H Insertion Reactions","Journal of the American Chemical Society","2012","134","","8798","8801","10.1021/ja3031054","","x-ray","0.71073","MoKα","","0.0595","0.0397","","","0.0965","0.1068","","","","","","1.058","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117995","11.515","0.004","19.977","0.007","15.19","0.005","90","","105.728","0.005","90","","3363","2","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 F6 N O2 P2 Pd Sb -","- C28 H44 F6 N O2 P2 Pd Sb -","- C112 H176 F24 N4 O8 P8 Pd4 Sb4 -","4","1","","Brad P. Carrow; Kyoko Nozaki","Synthesis of Functional Polyolefins Using Cationic Bisphosphine Monoxide-Palladium Complexes","Journal of the American Chemical Society","2012","134","","8802","8805","10.1021/ja303507t","","","0.71075","MoKα","","0.0679","0.0596","","","0.1494","0.1608","","","","","","1.18","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117996","10.277","0.003","18.368","0.006","17.318","0.005","90","","92.988","0.005","90","","3264.6","1.7","103.15","","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H41 Cl7 O P2 Pd -","- C23 H41 Cl7 O P2 Pd -","- C92 H164 Cl28 O4 P8 Pd4 -","4","1","","Brad P. Carrow; Kyoko Nozaki","Synthesis of Functional Polyolefins Using Cationic Bisphosphine Monoxide-Palladium Complexes","Journal of the American Chemical Society","2012","134","","8802","8805","10.1021/ja303507t","","","0.71075","MoKα","","0.0463","0.0427","","","0.111","0.1147","","","","","","1.063","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117997","18.2294","0.0004","18.2294","0.0004","7.0465","0.0003","90","","90","","90","","2341.63","0.12","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H15 Cl O3 -","- C11 H15 Cl O3 -","- C88 H120 Cl8 O24 -","8","1","","Jinhua Huang; Jessica R. Yang; Jin Zhang; Jiong Yang","Total Synthesis of the Potent cAMP Signaling Agonist (-)-Alotaketal A","Journal of the American Chemical Society","2012","134","","8806","8809","10.1021/ja303529z","","","1.54178","CuKα","","0.0414","0.039","","","0.0962","0.0974","","","","","","1.077","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117998","13.7289","0.0011","16.3711","0.0013","16.7915","0.0013","90","","101.316","0.001","90","","3700.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 Au F3 N5 O3 S -","- C34 H41 Au F3 N5 O3 S -","- C136 H164 Au4 F12 N20 O12 S4 -","4","1","","Dawei Wang; Rong Cai; Sripadh Sharma; James Jirak; Sravan K. Thummanapelli; Novruz G. Akhmedov; Hui Zhang; Xingbo Liu; Jeffrey L. Petersen; Xiaodong Shi","""Silver Effect"" in Gold(I) Catalysis: An Overlooked Important Factor","Journal of the American Chemical Society","2012","134","","9012","9019","10.1021/ja303862z","","","0.71073","MoKα","","0.0486","0.0418","","","0.1128","0.1205","","","","","","1.062","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117999","7.7837","0.0001","10.9032","0.0002","28.9411","0.0004","90","","90","","90","","2456.15","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 O2 -","- C11 H24 O2 -","- C88 H192 O16 -","8","2","","Xiaoyong Li; Carmin E. Burrell; Richard J. Staples; Babak Borhan","Absolute Configuration for 1,n-Glycols: A Nonempirical Approach to Long-Range Stereochemical Determination","Journal of the American Chemical Society","2012","134","","9026","9029","10.1021/ja2119767","","x-ray","0.71073","MoKα","","0.0555","0.0393","","","0.0808","0.0919","","","","","","1.016","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4118000","9.4357","0.0008","10.0619","0.0008","17.2986","0.0013","88.36","0.001","76.684","0.001","71.824","0.001","1516.8","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C14 H30.5 O2.25 -","- C14 H30.5 O2.25 -","- C56 H122 O9 -","4","4","","Xiaoyong Li; Carmin E. Burrell; Richard J. Staples; Babak Borhan","Absolute Configuration for 1,n-Glycols: A Nonempirical Approach to Long-Range Stereochemical Determination","Journal of the American Chemical Society","2012","134","","9026","9029","10.1021/ja2119767","","x-ray","0.71073","MoKα","","0.0728","0.0433","","","0.0965","0.1106","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118001","7.3196","0.0004","22.0005","0.0012","8.5948","0.0005","90","","98.23","0.002","90","","1369.81","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MOFO","bertozzi12","","- C16 H17 F O2 -","- C16 H17 F O2 -","- C64 H68 F4 O8 -","4","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0436","0.0428","","","0.1064","0.1071","","","","","","1.074","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118002","7.0936","0.0004","6.4862","0.0003","24.4944","0.0012","90","","90.04","0.003","90","","1127","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","I_CGG_143","bertozzi08","","- C16 H11 N O -","- C16 H11 N O -","- C64 H44 N4 O4 -","4","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0335","0.0302","","","0.0761","0.0784","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118003","5.5553","0.0002","8.3543","0.0003","14.6808","0.0004","90","","95.758","0.002","90","","677.91","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","DIMAC","bertozzi05","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0331","0.0317","","","0.0828","0.0841","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118004","8.2069","0.0002","12.1823","0.0004","14.7485","0.0004","96.544","0.001","95.01","0.001","93.412","0.001","1455.74","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","II-CGG-DIFO","bertozzi13","","- C17 H18 F2 O2 -","- C17 H18 F2 O2 -","- C68 H72 F8 O8 -","4","2","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0413","0.0366","","","0.0979","0.1025","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118005","9.2715","0.0018","10.938","0.002","16.787","0.003","90","","97.152","0.004","90","","1689.2","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","jongc03","Tp'Rh(CNneopentyl)(CCCMe3)Br","","- C31 H50 B Br N7 O Rh -","- C31 H50 B Br N7 O Rh -","- C62 H100 B2 Br2 N14 O2 Rh2 -","2","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0774","0.0543","","","0.101","0.1092","","","","","","1.036","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118006","19.9666","0.0013","11.1947","0.0007","32.531","0.002","90","","90","","90","","7271.3","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jongc04","Tp'Rh(CNneopentyl)(CCSiMe3)Cl","","- C32 H48 B Cl N7 Rh Si -","- C32 H48 B Cl N7 Rh Si -","- C256 H384 B8 Cl8 N56 Rh8 Si8 -","8","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0891","0.046","","","0.1179","0.1293","","","","","","1.044","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118007","8.0127","0.0006","13.3358","0.001","13.9706","0.0011","90","","93.238","0.002","90","","1490.5","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jongc02","Tp'Rh(CNneopentyl)(CCPh)Cl","","- C29 H38 B Cl N7 Rh -","- C29 H38 B Cl N7 Rh -","- C58 H76 B2 Cl2 N14 Rh2 -","2","0.5","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0945","0.0551","","","0.1269","0.1457","","","","","","1.045","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118008","43.6263","0.0018","13.234","0.0007","13.8249","0.0007","90","","108.465","0.003","90","","7570.9","0.6","183","2","183","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H24 Cd2 O12 -","- C48 H24 Cd2 O12 -","- C192 H96 Cd8 O48 -","4","1","","Marcela M. Wanderley; Cheng Wang; Chuan-De Wu; Wenbin Lin","A Chiral Porous Metal-Organic Framework for Highly Sensitive and Enantioselective Fluorescence Sensing of Amino Alcohols","Journal of the American Chemical Society","2012","134","","9050","9053","10.1021/ja302110d","","","0.71073","MoKα","","0.1866","0.1242","","","0.2607","0.2828","","","","","","0.866","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118009","14.951","0.002","16.424","0.002","17.657","0.002","90","","90","","90","","4335.8","0.9","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","Cp2Zr[N(t-Bu)SiHMe2]OTf","","","- C17 H26 F3 N O3 S Si Zr -","- C17 H26 F3 N O3 S Si Zr -","- C136 H208 F24 N8 O24 S8 Si8 Zr8 -","8","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0646","0.0337","","","0.0691","0.0806","","","","","","0.997","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118010","8.2232","0.0002","13.1668","0.0005","15.849","0.0005","90","","90","","90","","1716.02","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp2Zr[N(SiHMe2)2]H","bis(cyclopentadienyl)hydrido[(t-butyl)dimethylsilylamido]zirconium","","- C14 H25 N Si2 Zr -","- C14 H25 N Si2 Zr -","- C56 H100 N4 Si8 Zr4 -","4","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0301","0.0286","","","0.0737","0.0748","","","","","","1.065","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118011","16.8361","0.0015","8.5923","0.0008","17.1866","0.0016","90","","100.354","0.001","90","","2445.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CpZr[C5H4SiMe2NSiHMe2][N(SiHMe2)Bu]","","","- C20 H38 N2 Si3 Zr -","- C20 H38 N2 Si3 Zr -","- C80 H152 N8 Si12 Zr4 -","4","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0486","0.0323","","","0.0711","0.0832","","","","","","1.069","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118012","7.8901","0.0007","11.4722","0.0011","12.9352","0.0012","90","","91.536","0.003","90","","1170.43","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","2","","Kyle L. Kimmel; Jimmie D. Weaver; Melissa Lee; Jonathan A. Ellman","Catalytic Enantioselective Protonation of Nitronates Utilizing an Organocatalyst Chiral Only at Sulfur","Journal of the American Chemical Society","2012","134","","9058","9061","10.1021/ja3026196","","","1.54178","CuKα","","0.025","0.025","","","0.0682","0.0682","","","","","","1.026","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118013","9.4038","0.0009","15.5164","0.0015","11.0723","0.001","90","","102","0.002","90","","1580.3","0.3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl2 N3 Ni O12 -","- C30 H33 Cl2 N3 Ni O12 -","- C60 H66 Cl4 N6 Ni2 O24 -","2","1","","You-Yun Zhou; Li-Jia Wang; Jun Li; Xiu-Li Sun; Yong Tang","Side-Arm-Promoted Highly Enantioselective Ring-Opening Reactions and Kinetic Resolution of Donor-Acceptor Cyclopropanes with Amines","Journal of the American Chemical Society","2012","134","","9066","9069","10.1021/ja302691r","","","0.71073","MoKα","","0.0259","0.0242","","","0.0634","0.0644","","","","","","0.82","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118014","15.751","0.0012","15.1392","0.0014","9.5864","0.0007","90","","95.134","0.007","90","","2276.8","0.3","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H36 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1027","0.092","","","0.2396","0.2489","","","","","","1.057","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118015","14.264","0.006","16.41","0.004","9.547","0.005","90","","92.33","0.04","90","","2232.8","1.6","106","2","106","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1525","0.1374","","","0.3176","0.3328","","","","","","1.107","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118016","15.528","0.005","15.316","0.006","9.587","0.004","90","","96.04","0.03","90","","2267.4","1.5","107","2","107","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","DiP-DMOF","","","- C34 H44 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1739","0.1314","","","0.3193","0.3484","","","","","","1","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118017","10.9068","0.0005","10.9068","0.0005","9.5754","0.0007","90","","90","","90","","1139.07","0.11","110","2","110","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C38 H52 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","1","0.0625","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.0602","0.0566","","","0.1545","0.1576","","","","","","1.129","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118018","10.898","0.003","10.898","0.003","9.591","0.004","90","","90","","90","","1139.1","0.6","108","2","108","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C34 H28 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","1","0.0625","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.0959","0.0779","","","0.1989","0.2082","","","","","","1.175","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118019","9.8331","0.0003","12.3566","0.0004","16.8282","0.0006","90","","93.653","0.002","90","","2040.53","0.12","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl2 O3 S -","- C22 H20 Cl2 O3 S -","- C88 H80 Cl8 O12 S4 -","4","2","","Takahiro Nishimura; Yuka Takiguchi; Tamio Hayashi","Effect of Chiral Diene Ligands in Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to α,β-Unsaturated Sulfonyl Compounds","Journal of the American Chemical Society","2012","134","","9086","9089","10.1021/ja303109q","","","1.54187","CuKα","","0.1778","0.099","","","0.2081","0.2776","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118020","9.1879","0.0002","9.3561","0.0002","28.4317","0.0007","90","","90","","90","","2444.07","0.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C112 H96 O24 S8 -","8","2","","Takahiro Nishimura; Yuka Takiguchi; Tamio Hayashi","Effect of Chiral Diene Ligands in Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to α,β-Unsaturated Sulfonyl Compounds","Journal of the American Chemical Society","2012","134","","9086","9089","10.1021/ja303109q","","","1.54187","CuKα","","0.0421","0.0353","","","0.0787","0.0833","","","","","","1.034","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118021","34.023","0.002","23.7143","0.0018","36.537","0.002","90","","94.386","0.002","90","","29393","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","2,4-dimethoxybenzylamine-derived pentameric iron(II) helicate","","","- C240 H234 Cl F45 Fe5 N37 O20 P7.5 -","- C240 H234 Cl F45 Fe5 N37 O20 P7.5 -","- C960 H936 Cl4 F180 Fe20 N148 O80 P30 -","4","1","","Jean-François Ayme; Jonathon E. Beves; David A. Leigh; Roy T. McBurney; Kari Rissanen; David Schultz","Pentameric Circular Iron(II) Double Helicates and a Molecular Pentafoil Knot","Journal of the American Chemical Society","2012","134","","9488","9497","10.1021/ja303355v","","x-ray","1.54178","CuKα","","0.1561","0.1392","","","0.3627","0.3835","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118022","13.484","0.001","13.484","0.001","9.799","0.001","90","","90","","90","","1781.6","0.3","200","2","200","2","","","","","","","","5","P 4 n c","P 4 -2n","104","[TcNCl(LMe)4]Cl","Tetrakis(1,3,4,5-tetramethylimidazol-2-ylidene)nitridotechnetium(V) chloride","","- C28 H48 Cl2 N9 Tc -","- C28 H48 Cl2.04 N9 Tc -","- C56 H96 Cl4.08 N18 Tc2 -","2","0.25","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.106","0.0671","","","0.1745","0.2092","","","","","","0.69","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118023","9.984","0.001","13.382","0.001","18.572","0.002","105.39","0.01","93.52","0.01","99.12","0.01","2348.1","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","TcNPh2(PPh3)2","Nitridodiphenylbis(triphenylphosphine)technetium(V) tetrahydrofuran solvate","","- C56 H56 N O2 P2 Tc -","- C56 H56 N O2 P2 Tc -","- C112 H112 N2 O4 P4 Tc2 -","2","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1245","0.0545","","","0.1002","0.1242","","","","","","0.788","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118024","9.972","0.001","13.37","0.001","18.605","0.001","105.33","0.01","93.65","0.01","99.08","0.01","2347.8","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[ReNPh2(PPh3)2] . 2 THF","Nitridodiphenylbis(triphenylphosphine)rhenium(V) tetrahydrofuran solvate","","- C56 H56 N O2 P2 Re -","- C56 H56 N O2 P2 Re -","- C112 H112 N2 O4 P4 Re2 -","2","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.0898","0.0453","","","0.0826","0.0967","","","","","","0.867","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118025","18.331","0.002","9.233","0.002","27.035","0.002","90","","99.5","0.01","90","","4512.9","1.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[TcN(HLPh)2Ph2]","Bis(1,3,4-Triphenyl-1,2,4-triazol-5-yliden)nitridodiphenyl- technetium(V) benzene solvate","","- C58 H46 N7 Tc -","- C58 H46 N7 Tc -","- C232 H184 N28 Tc4 -","4","0.5","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1259","0.0509","","","0.0711","0.0889","","","","","","0.828","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118026","12.383","0.001","16.239","0.001","21.731","0.002","90","","121.27","0.01","90","","3735","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ReNPh(LPh)(LPh-H)]","Diphenyl(1,3,4-Triphenyl-1,2,4-triazol-5-yliden-C)(1,3,4-Triphenyl-1,2,4- triazol-5-ylidenato-C,C)nitridotechnetium(V)","","- C46 H34 N7 Re -","- C46 H34 N7 Re -","- C184 H136 N28 Re4 -","4","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1632","0.0523","","","0.0679","0.0895","","","","","","0.776","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118027","5.6768","0.0002","9.5536","0.0003","21.6728","0.0007","90","","92.523","0.002","90","","1174.26","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Junwon Choi; Gregory C. Fu","Catalytic Asymmetric Synthesis of Secondary Nitriles via Stereoconvergent Negishi Arylations and Alkenylations of Racemic α-Bromonitriles","Journal of the American Chemical Society","2012","134","","9102","9105","10.1021/ja303442q","","","1.54178","CuKα","","0.0326","0.0326","","","0.0841","0.0842","","","","","","1.053","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118028","14.4823","0.0005","32.2596","0.001","14.5199","0.0005","90","","104.76","0.002","90","","6559.7","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O -","- C20 H23 N O -","- C320 H368 N16 O16 -","16","8","","Junwon Choi; Gregory C. Fu","Catalytic Asymmetric Synthesis of Secondary Nitriles via Stereoconvergent Negishi Arylations and Alkenylations of Racemic α-Bromonitriles","Journal of the American Chemical Society","2012","134","","9102","9105","10.1021/ja303442q","","","1.54178","CuKα","","0.0421","0.0405","","","0.1032","0.1066","","","","","","1.065","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118029","8.444","0.0003","15.9411","0.0005","24.0848","0.0007","97.948","0.001","94.371","0.001","90.02","0.001","3201.3","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H30 F6 N2 O4 Rh S Sb -","- C30 H30 F6 N2 O4 Rh S Sb -","- C120 H120 F24 N8 O16 Rh4 S4 Sb4 -","4","2","","Ji Young Kim; Sae Hume Park; Jaeyune Ryu; Seung Hwan Cho; Seok Hwan Kim; Sukbok Chang","Rhodium-Catalyzed Intermolecular Amidation of Arenes with Sulfonyl Azides via Chelation-Assisted C-H Bond Activation","Journal of the American Chemical Society","2012","134","","9110","9113","10.1021/ja303527m","","","0.71073","mokα","","0.0789","0.0591","","","0.1611","0.1748","","","","","","0.953","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118030","10.844","0.005","13.658","0.007","13.066","0.007","90","","109.313","0.01","90","","1826.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C84 H104 N8 O12 -","4","1","","Weiwei Zi; Weiqing Xie; Dawei Ma","Total Synthesis of Akuammiline Alkaloid (-)-Vincorine via Intramolecular Oxidative Coupling","Journal of the American Chemical Society","2012","134","","9126","9129","10.1021/ja303602f","","","0.71073","MoKα","","0.0763","0.0572","","","0.1512","0.1679","","","","","","1.029","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118031","13.411","0.005","21.868","0.008","16.401","0.006","90","","107.83","0.002","90","","4579","3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H12 B Br3 S3 -","- C24 H12 B Br3 S3 -","- C192 H96 B8 Br24 S24 -","8","2","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1333","0.1206","","","0.2761","0.2849","","","","","","1.146","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118032","8.5696","0.0014","13.162","0.002","38.189","0.006","90","","95.0096","0.0007","90","","4291","1.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 B O2 S2 -","- C56 H51 B O2 S2 -","- C224 H204 B4 O8 S8 -","4","1","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.0441","0.0411","","","0.1038","0.1063","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118033","18.9618","0.0004","19.2127","0.0001","20.7603","0.0001","74.793","0.012","73.353","0.012","62.6114","0.001","6357.7","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C142.64 H154.28 B2 F2 K2 N4 O16 S4 -","- C142.647 H154.291 B2 F2 K2 N4 O16 S4 -","- C285.294 H308.582 B4 F4 K4 N8 O32 S8 -","2","1","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1783","0.1107","","","0.2914","0.3887","","","","","","1.141","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118034","17.584","0.007","20.312","0.008","26.769","0.01","90","","97.955","0.0014","90","","9469","6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H38 B2 Cl2 S4 -","- C62 H38 B2 Cl2 S4 -","- C496 H304 B16 Cl16 S32 -","8","2","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1354","0.1048","","","0.2376","0.2569","","","","","","1.187","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118035","10.4836","0.001","12.017","0.0012","13.9089","0.0013","78.881","0.004","78.768","0.004","67.199","0.005","1571","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Au O P -","- C38 H44 Au O P -","- C76 H88 Au2 O2 P2 -","2","1","","Timothy J. Brown; Dieter Weber; Michel R. Gagné; Ross A. Widenhoefer","Mechanistic Analysis of Gold(I)-Catalyzed Intramolecular Allene Hydroalkoxylation Reveals an Off-Cycle Bis(gold) Vinyl Species and Reversible C-O Bond Formation","Journal of the American Chemical Society","2012","134","","9134","9137","10.1021/ja303844h","","","0.71073","MoKα","","0.0516","0.0415","","","0.1061","0.1167","","","","","","1.119","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118036","42.382","0.002","42.382","0.002","42.382","0.002","90","","90","","90","","76128","6","205","2","205","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 Ag6 B6 Cl24 F24 N24 S6 -","- C138 H144 Ag6 B6 F24 N24 S6 -","- C2208 H2304 Ag96 B96 F384 N384 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.0781","0.0437","","","0.1046","0.1111","","","","","","1.008","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118037","42.99","0.009","42.99","0.009","42.99","0.009","90","","90","","90","","79452","3","205","2","205","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C180 H240 Ag6 F36 N24 O12 P6 S6 -","- C138 H144 Ag6 F36 N24 P6 S6 -","- C2208 H2304 Ag96 F576 N384 P96 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.1156","0.0428","","","0.1033","0.1086","","","","","","1.005","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118038","29.434","0.001","29.434","0.001","22.407","0.001","90","","90","","120","","16811.7","1.1","205","2","205","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C204 H268 Ag6 F18 N24 O30 S12 -","- C203.94 H267.9 Ag6 F18 N24 O30 S12 -","- C611.82 H803.7 Ag18 F54 N72 O90 S36 -","3","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.1026","0.0505","","","0.1291","0.1497","","","","","","1.002","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118039","29.821","0.005","29.821","0.005","20.416","0.003","90","","90","","120","","15723","4","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C162 H196 Ag6 Cl24 N30 O18 S6 -","- C138 H144 Ag6 N30 O18 S6 -","- C414 H432 Ag18 N90 O54 S18 -","3","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.0889","0.0464","","","0.1067","0.1165","","","","","","1.001","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118040","41.603","0.003","41.603","0.003","41.603","0.003","90","","90","","90","","72007","9","190","2","190","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 B6 Cl24 Cu6 F24 N24 S6 -","- C138 H144 B5 Cu6 F24 N24 S6 -","- C2208 H2304 B80 Cu96 F384 N384 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.14","0.0594","","","0.1142","0.1243","","","","","","1.002","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118041","31.246","0.009","10.8069","0.0017","35.036","0.007","90","","90","","90","","11831","5","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Cu(pytren-a)](ClO4)2","","","- C28 H33 Cl2 Cu N5 O8 -","- C28 H33 Cl2 Cu N5 O8 -","- C448 H528 Cl32 Cu16 N80 O128 -","16","4","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.3494","0.1197","","","0.226","0.2866","","","","","","0.755","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118042","17.3147","0.0007","12.8809","0.0009","21.1273","0.0011","90","","90","","90","","4712","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(pytren-al)](ClO4)2","","","- C16 H30 Cl2 Cu N6 O8 -","- C16 H30 Cl2 Cu N6 O8 -","- C128 H240 Cl16 Cu8 N48 O64 -","8","1","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.2335","0.1075","","","0.2313","0.3395","","","","","","1.004","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118043","12.9833","0.0004","14.3872","0.0004","15.1944","0.0004","90","","90","","90","","2838.21","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H22 F6 P2 -","- C9 H22 F6 P2 -","- C72 H176 F48 P16 -","8","1","","Liyu Jin; Kate M. Nairn; Craig M. Forsyth; Aaron J. Seeber; Douglas R. MacFarlane; Patrick C. Howlett; Maria Forsyth; Jennifer M. Pringle","Structure and Transport Properties of a Plastic Crystal Ion Conductor: Diethyl(methyl)(isobutyl)phosphonium Hexafluorophosphate","Journal of the American Chemical Society","2012","134","","9688","9697","10.1021/ja301175v","","","0.71073","MoKα","","0.0537","0.0366","","","0.0878","0.0976","","","","","","1.045","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118044","7.9668","0.0002","9.1543","0.0002","13.347","0.0003","89.801","0.001","78.816","0.001","71.954","0.001","906.27","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C40 H50 N2 O4 S2 -","2","1","","Chung-Yang (Dennis) Huang; Abigail G. Doyle","Nickel-Catalyzed Negishi Alkylations of Styrenyl Aziridines","Journal of the American Chemical Society","2012","134","","9541","9544","10.1021/ja3013825","","","1.54178","CuKα","","0.0392","0.0391","","","0.0932","0.0934","","","","","","1.341","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118045","10.938","0.005","5.438","0.005","16.031","0.005","90","","109.371","0.005","90","","899.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 N O2 S -","- C19 H25 N O2 S -","- C38 H50 N2 O4 S2 -","2","1","","Chung-Yang (Dennis) Huang; Abigail G. Doyle","Nickel-Catalyzed Negishi Alkylations of Styrenyl Aziridines","Journal of the American Chemical Society","2012","134","","9541","9544","10.1021/ja3013825","","","1.54184","CuKα","","0.0295","0.0294","","","0.0789","0.0789","","","","","","1.038","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118046","28.212","0.003","23.516","0.003","27.828","0.003","90","","93.5886","0.0012","90","","18426","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","NiSn9-cluster","NiSn9-cluster","","- C121 H248 K6 N18 Ni2 O36 Sn18 -","- C121 H248 K6 N18 Ni2 O36 Sn18 -","- C484 H992 K24 N72 Ni8 O144 Sn72 -","4","1","","F. Sanem Kocak; Domonique O. Downing; Peter Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov; Bryan Eichhorn","Surprising Acid/Base and Ion-Sequestration Chemistry of Sn94-: HSn93-, Ni@HSn93-, and the Sn93- Ion Revisited","Journal of the American Chemical Society","2012","134","","9733","9740","10.1021/ja3018797","","","0.71073","MoKα","","0.0619","0.0417","","","0.0902","0.0961","","","","","","1.066","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118047","13.9891","0.0015","14.8896","0.0016","22.004","0.002","89.391","0.002","79.589","0.002","78.861","0.002","4421.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","S9-cluster","S9-cluster","","- C57 H120 K3 N9 O18 Sn9 -","- C57.153 H116.264 K3 N8.962 O18 Sn9 -","- C114.306 H232.528 K6 N17.924 O36 Sn18 -","2","1","","F. Sanem Kocak; Domonique O. Downing; Peter Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov; Bryan Eichhorn","Surprising Acid/Base and Ion-Sequestration Chemistry of Sn94-: HSn93-, Ni@HSn93-, and the Sn93- Ion Revisited","Journal of the American Chemical Society","2012","134","","9733","9740","10.1021/ja3018797","","","0.71073","MoKα","","0.045","0.0345","","","0.0699","0.0728","","","","","","1","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118048","11.7258","0.0004","15.4489","0.0006","16.7107","0.0006","106.787","0.002","98.064","0.002","107.788","0.002","2671.5","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1a","","","- C35 H30 Mn1.5 N O12 -","- C35 H30 Mn1.5 N O12 -","- C70 H60 Mn3 N2 O24 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0886","0.0677","","","0.1966","0.2062","","","","","","1.341","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118049","12.6583","0.0008","15.5409","0.001","16.4094","0.001","108.446","0.004","98.651","0.003","109.526","0.003","2765.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1a_Cu","","","- C33 H24 Cu1.5 Mn0.5 O13 -","- C33 H24 Cu1.5 Mn0.5 O13 -","- C66 H48 Cu3 Mn O26 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.1375","0.0829","","","0.2076","0.2237","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118050","13.4319","0.0004","16.216","0.0004","16.2911","0.0004","108.099","0.001","102.652","0.002","106.188","0.002","3052.14","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1b","","","- C33 H24 Mn1.5 O12.5 -","- C33 H24 Mn1.5 O12.5 -","- C66 H48 Mn3 O25 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0971","0.0673","","","0.187","0.1987","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118051","12.6594","0.0004","15.0271","0.0005","17.0317","0.0006","108.009","0.002","101.05","0.002","106.05","0.002","2821.74","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2","","","- C33 H24 Co1.5 Mn0.5 O13 -","- C33 H24 Co1.5 Mn0.5 O13 -","- C66 H48 Co3 Mn O26 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0778","0.0592","","","0.1822","0.191","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118052","16.6187","0.0007","15.6802","0.0006","16.8631","0.0007","109.215","0.002","98.782","0.002","114.858","0.002","3541.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","3","","","- C33 H24 Mn0.5 Ni1.5 O16 -","- C33 H24 Mn0.5 Ni1.5 O16 -","- C66 H48 Mn Ni3 O32 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.1299","0.0789","","","0.1994","0.2168","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118053","7.4936","0.0007","12.4907","0.0011","19.9825","0.0018","90","","90","","90","","1870.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Cheng Zhang; Xin-Hu Hu; Ya-Hui Wang; Zhuo Zheng; Jie Xu; Xiang-Ping Hu","Highly Diastereo- and Enantioselective Cu-Catalyzed [3 + 3] Cycloaddition of Propargyl Esters with Cyclic Enamines toward Chiral Bicyclo[n.3.1] Frameworks","Journal of the American Chemical Society","2012","134","","9585","9588","10.1021/ja303129s","","","0.71073","MoKα","","0.0504","0.0403","","","0.1172","0.1255","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118054","11.4605","0.0006","10.9335","0.0006","13.1568","0.0007","90","","111.428","0.003","90","","1534.64","0.15","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H29 Cl3 Cu Fe N2 P -","- C31 H29 Cl3 Cu Fe N2 P -","- C62 H58 Cl6 Cu2 Fe2 N4 P2 -","2","1","","Cheng Zhang; Xin-Hu Hu; Ya-Hui Wang; Zhuo Zheng; Jie Xu; Xiang-Ping Hu","Highly Diastereo- and Enantioselective Cu-Catalyzed [3 + 3] Cycloaddition of Propargyl Esters with Cyclic Enamines toward Chiral Bicyclo[n.3.1] Frameworks","Journal of the American Chemical Society","2012","134","","9585","9588","10.1021/ja303129s","","","0.71073","MoKα","","0.0343","0.0309","","","0.0762","0.0783","","","","","","1.026","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118055","12.555","0.003","12.872","0.003","19.641","0.004","90","","92.52","0.003","90","","3171.1","1.2","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 O2 Zn2 -","- C38 H40 O2 Zn2 -","- C152 H160 O8 Zn8 -","4","0.5","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0901","0.0532","","","0.1123","0.126","","","","","","1.013","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118056","10.4865","0.0012","10.4865","0.0012","5.8982","0.0007","90","","90","","90","","648.61","0.13","130","2","130","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C6 H10 Zn -","- C6 H10 Zn -","- C24 H40 Zn4 -","4","0.25","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0185","0.0165","","","0.0426","0.044","","","","","","1.143","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118057","12.9741","0.001","16.3265","0.0013","20.2437","0.0016","90","","111.516","0.001","90","","3989.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Cl6 O Zn6 -","- C28 H52 Cl6 O Zn6 -","- C112 H208 Cl24 O4 Zn24 -","4","0.5","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0344","0.0267","","","0.0528","0.0542","","","","","","0.929","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118058","22.206","0.003","18.651","0.003","23.766","0.005","90","","97.375","0.011","90","","9762","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H39 B F15 N O2 S -","- C57 H39 B F15 N O2 S -","- C456 H312 B8 F120 N8 O16 S8 -","8","1","","Andrey Y. Khalimon; Warren E. Piers; James M. Blackwell; David J. Michalak; Masood Parvez","A Photo Lewis Acid Generator (PhLAG): Controlled Photorelease of B(C6F5)3","Journal of the American Chemical Society","2012","134","","9601","9604","10.1021/ja3042977","","","0.71073","MoKα","","0.0882","0.0637","","","0.129","0.1419","","","","","","1.15","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118059","14.038","0.004","39.25","0.011","14.581","0.004","90","","102.03","0.004","90","","7858","4","140","1","140","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H95 Cl N2 O3 P3 U -","- C78 H79 Cl N2 O3 P3 U -","- C312 H316 Cl4 N8 O12 P12 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0862","0.0542","","","0.1223","0.136","","","","","","0.971","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118060","15.2619","0.0013","20.2744","0.0017","18.7925","0.0015","90","","102.554","0.001","90","","5675.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1169","","","- C60 H82 Cl N6 U -","- C60 H82 Cl N6 U -","- C240 H328 Cl4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0669","0.0386","","","0.0774","0.0875","","","","","","0.998","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118061","15.2445","0.0017","20.288","0.002","18.833","0.002","90","","102.641","0.001","90","","5683.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1179","","","- C60 H82 Br N6 U -","- C60 H82 Br N6 U -","- C240 H328 Br4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0941","0.0491","","","0.0962","0.1108","","","","","","1.016","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118062","14.3846","0.0017","26.537","0.003","18.94","0.002","90","","111.944","0.001","90","","6706","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1206","","","- C60 H82 I N6 U -","- C60 H82 I N6 U -","- C240 H328 I4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0812","0.0474","","","0.1018","0.1117","","","","","","0.933","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118063","14.5626","0.0011","23.1936","0.0018","36.78","0.003","90","","90","","90","","12422.8","1.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","apx1346","","","- C54 H63 Br Cl I3 N6 U -","- C54 H63 Br Cl I3 N6 U -","- C432 H504 Br8 Cl8 I24 N48 U8 -","8","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.111","0.0673","","","0.1623","0.1744","","","","","","1.383","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118064","12.2398","0.0004","17.5642","0.0004","21.2961","0.0006","90.983","0.002","101.845","0.003","108.449","0.002","4233.9","0.2","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H102 Cl N4 O4 P4 Si4 U2 -","- C83 H102 Cl N4 O4 P4 Si4 U2 -","- C166 H204 Cl2 N8 O8 P8 Si8 U4 -","2","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","1.5418","CuKα","","0.0471","0.038","","","0.0925","0.0974","","","","","","1.06","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118065","15.255","0.0008","28.8625","0.0015","29.2694","0.0015","90","","104.515","0.001","90","","12475.9","1.1","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C121 H147 Cl N6 O6 P6 Si6 U3 -","- C121 H147 Cl N6 O6 P6 Si6 U3 -","- C484 H588 Cl4 N24 O24 P24 Si24 U12 -","4","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","0.71073","MoKα","","0.0722","0.048","","","0.115","0.127","","","","","","1.02","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118066","16.1791","0.0009","11.3857","0.0006","22.5451","0.0012","90","","98.588","0.001","90","","4106.5","0.4","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cl2.25 N2 O0.75 P2 Si2 U -","- C38 H46 Cl2.25 N2 O0.75 P2 Si2 U -","- C152 H184 Cl9 N8 O3 P8 Si8 U4 -","4","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","0.71073","MoKα","","0.0381","0.028","","","0.0621","0.0669","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118067","9.8882","0.0002","11.5087","0.0003","16.2479","0.0004","88.2809","0.0018","83.0033","0.0019","79.295","0.002","1803.26","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 N2 P2 Si2 -","- C38 H44 N2 P2 Si2 -","- C76 H88 N4 P4 Si4 -","2","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","1.5418","CuKα","","0.0293","0.0286","","","0.0743","0.0748","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118068","5.9714","0.0004","11.4212","0.0008","13.9961","0.001","90","","90.312","0.001","90","","954.53","0.11","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TPB-1","","","- C26 H18 N4 -","- C26 H18 N4 -","- C52 H36 N8 -","2","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0792","0.0508","","","0.1266","0.1418","","","","","","0.95","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118069","16.31","0.0002","13.6832","0.0002","9.7527","0.0002","90","","97.147","0.001","90","","2159.63","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TPB-2","","","- C26 H22 N4 O2 -","- C26 H18 N4 O2 -","- C104 H72 N16 O8 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0655","0.0479","","","0.1327","0.1467","","","","","","1.018","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118070","15.5701","0.0008","11.3472","0.0006","14.0056","0.0007","90","","91.147","0.002","90","","2474","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TPCH","","","- C26 H32 N4 O5 -","- C26 H28 N4 O5 -","- C104 H112 N16 O20 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","1.54178","CuKα","","0.0619","0.0614","","","0.1671","0.1676","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4118071","9.2671","0.0005","17.1198","0.0009","24.8416","0.0013","90","","90","","90","","3941.1","0.4","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C38 H30 N2 O16 P2 Zn2 -","- C36 H26 N4 O16 P2 Zn2 -","- C144 H104 N16 O64 P8 Zn8 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0792","0.0487","","","0.1261","0.1559","","","","","","1.077","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118072","7.699","0.003","17.608","0.008","15.09","0.007","90","","90","","90","","2045.7","1.5","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10 H6.5 N1.5 O3 Zn0.5 -","- C10 H6.5 N1.5 O3 Zn0.5 -","- C80 H52 N12 O24 Zn4 -","8","1","","Satoshi Horike; Keisuke Kishida; Yoshihiro Watanabe; Yasutaka Inubushi; Daiki Umeyama; Masayuki Sugimoto; Tomohiro Fukushima; Munehiro Inukai; Susumu Kitagawa","Dense Coordination Network Capable of Selective CO2 Capture from C1 and C2 Hydrocarbons","Journal of the American Chemical Society","2012","134","","9852","9855","10.1021/ja302043u","","","0.71075","MoKα","","0.1261","0.0694","","","0.1777","0.2109","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118073","16.67","0.003","24.497","0.004","9.2897","0.0014","90","","90","","90","","3793.6","1.1","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Me3NN]Ni-N(CHMePh)Ad.1/2ether","","","- C43 H58 N3 Ni O0.5 -","- C43 H58 N3 Ni O0.5 -","- C172 H232 N12 Ni4 O2 -","4","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.0869","0.057","","","0.1453","0.161","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118074","9.81","0.003","16.118","0.004","24.663","0.007","90","","90.508","0.004","90","","3899.5","1.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Me3NN]Ni(h2-CHPhNHAd).ether","","","- C40 H51 N3 Ni -","- C40 H51 N3 Ni -","- C160 H204 N12 Ni4 -","4","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.1301","0.0668","","","0.1447","0.164","","","","","","0.943","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118075","11.4076","0.0014","12.7225","0.0016","19.095","0.002","89.664","0.002","88.036","0.002","84.121","0.002","2755.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[Me3NN]Ni}2(m-NAd).ether","","","- C60 H83 N5 Ni2 O -","- C60 H83 N5 Ni2 O -","- C120 H166 N10 Ni4 O2 -","2","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.1285","0.0537","","","0.108","0.123","","","","","","0.915","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118076","17.198","0.003","7.6587","0.0015","10.144","0.002","90","","90","","90","","1336.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- Ce5 F2 Li14 N19 O7 Si11 -","- Ce5 F2 Li14 N19 O7 Si11 -","- Ce10 F4 Li28 N38 O14 Si22 -","2","0.25","","Saskia Lupart; Giuliano Gregori; Joachim Maier; Wolfgang Schnick","Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of Potential Lithium Ion Conductors","Journal of the American Chemical Society","2012","134","","10132","10137","10.1021/ja302255d","","","0.71073","MoKα","","0.0699","0.0409","","","0.0896","0.0971","","","","","","0.876","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118077","17.126","0.003","7.6155","0.0015","10.123","0.002","90","","90","","90","","1320.3","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- F2 Li14 N19 Nd5 O7 Si11 -","- F2 Li14 N19 Nd5 O7 Si11 -","- F4 Li28 N38 Nd10 O14 Si22 -","2","0.25","","Saskia Lupart; Giuliano Gregori; Joachim Maier; Wolfgang Schnick","Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of Potential Lithium Ion Conductors","Journal of the American Chemical Society","2012","134","","10132","10137","10.1021/ja302255d","","","0.71073","MoKα","","0.0678","0.0419","","","0.0929","0.1005","","","","","","0.893","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118078","14.9687","0.0014","20.641","0.002","7.9486","0.0008","90","","98.316","0.007","90","","2430","0.4","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C112 H80 F24 N8 O16 -","8","2","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.1335","0.1011","","","0.2263","0.2646","","","","","","1.005","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118079","17.0047","0.0014","17.887","0.0014","19.1941","0.0015","81.321","0.007","89.58","0.006","78.56","0.007","5655.1","0.8","85","2","85","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C252 H180 F54 N18 O36 -","18","9","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.2977","0.1967","","","0.3801","0.4404","","","","","","1.027","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118080","8.6485","0.0002","11.5115","0.0002","38.895","0.003","87.914","0.006","85.91","0.006","72.26","0.005","3678.3","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C168 H120 F36 N12 O24 -","12","6","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.1818","0.1613","","","0.3923","0.3995","","","","","","1.147","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118081","8.7589","0.0002","11.6629","0.0003","20.0229","0.0014","80.632","0.006","81.041","0.006","73.532","0.005","1922.33","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C84 H60 F18 N6 O12 -","6","3","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.0826","0.0542","","","0.1324","0.1471","","","","","","0.954","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118082","26.6592","0.0019","7.9007","0.0002","23.243","0.0006","90","","94.084","0.007","90","","4883.2","0.4","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C224 H160 F48 N16 O32 -","16","4","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54187","CuKα","","0.109","0.0727","","","0.2013","0.267","","","","","","1.108","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118083","10.8813","0.0008","10.2374","0.0007","11.7487","0.001","90","","111.318","0.008","90","","1219.21","0.17","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C56 H40 F12 N4 O8 -","4","1","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54187","CuKα","","0.1065","0.0736","","","0.1494","0.1847","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118084","48.893","0.0016","48.893","0.0016","48.893","0.0016","90","","90","","90","","116880","7","225","2","225.04","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C28 H8 Cu2 O10 -","- C28 H8 Cu2 O10 -","- C1344 H384 Cu96 O480 -","48","0.25","","Omar K. Farha; Christopher E. Wilmer; Ibrahim Eryazici; Brad G. Hauser; Philip A. Parilla; Kevin O'Neill; Amy A. Sarjeant; SonBinh T. Nguyen; Randall Q. Snurr; Joseph T. Hupp","Designing Higher Surface Area Metal-Organic Frameworks: Are Triple Bonds Better Than Phenyls?","Journal of the American Chemical Society","2012","134","","9860","9863","10.1021/ja302623w","","","1.54184","CuKα","","0.0992","0.0806","","","0.2519","0.2629","","","","","","1.043","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118085","8.6599","0.0003","10.7452","0.0008","21.1333","0.0006","84.775","0.004","82.784","0.002","86.802","0.005","1940.86","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H38 B F10 N O P -","- C38.5 H38 B F10 N O P -","- C77 H76 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0601","0.0497","","","0.1273","0.1335","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118086","11.6585","0.0003","16.4256","0.0005","18.7671","0.0004","90","","106.113","0.001","90","","3452.68","0.16","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 B F10 N O P -","- C38 H30 B F10 N O P -","- C152 H120 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0472","0.0431","","","0.1125","0.1162","","","","","","1.025","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118087","7.9245","0.0005","10.6961","0.0005","18.9336","0.0019","79.222","0.004","79.203","0.007","88.914","0.003","1548.4","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 B F10 N O P -","- C33 H28 B F10 N O P -","- C66 H56 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0875","0.0538","","","0.1077","0.1279","","","","","","1.008","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118088","10.5468","0.0003","10.6122","0.0003","17.4537","0.0007","86.333","0.001","85.007","0.001","63.541","0.002","1741.55","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H34 B F10 N O P Si -","- C35 H34 B F10 N O P Si -","- C70 H68 B2 F20 N2 O2 P2 Si2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.1093","0.0786","","","0.1496","0.1705","","","","","","1.079","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118089","17.4646","0.0002","10.6452","0.0001","20.7316","0.0002","90","","91.147","0.001","90","","3853.53","0.07","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 B F10 N O P -","- C41 H45 B F10 N O P -","- C164 H180 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0731","0.0578","","","0.1542","0.1674","","","","","","1.048","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118090","10.8277","0.0002","11.495","0.0003","14.8377","0.0003","87.546","0.001","73.836","0.001","82.013","0.002","1756.54","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 B F10 N O P -","- C38 H31 B F10 N O P -","- C76 H62 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0778","0.0521","","","0.1118","0.1289","","","","","","1.044","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118091","9.4443","0.0002","10.7197","0.0002","19.2926","0.0005","82.938","0.001","86.248","0.001","82.508","0.001","1919.39","0.07","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H35 B F10 N O P Si -","- C35 H35 B F10 N O P Si -","- C70 H70 B2 F20 N2 O2 P2 Si2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.082","0.0664","","","0.1586","0.1686","","","","","","1.035","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118092","10.935","0.0012","12.8316","0.0016","16.1354","0.001","68.007","0.004","89.889","0.005","73.784","0.011","2002.3","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H33 B F10 N O P -","- C39 H33 B F10 N O P -","- C78 H66 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.1379","0.0904","","","0.1922","0.2242","","","","","","1.039","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118093","9.5024","0.0001","19.828","0.0003","21.6374","0.0002","74.247","0.001","81.653","0.001","78.048","0.001","3821.44","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 B F10 N O P -","- C43 H39 B F10 N O P -","- C172 H156 B4 F40 N4 O4 P4 -","4","2","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0756","0.0589","","","0.1426","0.16","","","","","","1.042","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118094","10.8645","0.0007","12.6096","0.0004","14.7239","0.0007","79.426","0.002","69.495","0.004","75.95","0.004","1822.01","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 B F10 N O P -","- C40 H35 B F10 N O P -","- C80 H70 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.055","0.0461","","","0.1252","0.1346","","","","","","1.001","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118095","11.07","0.0001","21.3258","0.0003","18.9405","0.0003","90","","105.085","0.001","90","","4317.33","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 B F10 N O P -","- C49 H49 B F10 N O P -","- C196 H196 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0851","0.0688","","","0.1776","0.194","","","","","","1.045","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118096","11.8794","0.0002","16.4445","0.0002","19.7784","0.0003","97.514","0.001","94.091","0.001","92.643","0.001","3814.78","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 B F10 N O P -","- C42 H41 B F10 N O P -","- C168 H164 B4 F40 N4 O4 P4 -","4","2","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0821","0.0642","","","0.133","0.1486","","","","","","1.06","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118097","19.6305","0.0005","11.3087","0.0004","18.274","0.0005","90","","105.963","0.002","90","","3900.3","0.2","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H41 B F10 N O P -","- C44 H41 B F10 N O P -","- C176 H164 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0598","0.051","","","0.1016","0.1086","","","","","","1.092","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118098","14.1349","0.0008","23.316","0.0012","14.1781","0.0008","90","","96.497","0.001","90","","4642.7","0.4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N O4 -","- C23 H19 Cl2 N O4 -","- C184 H152 Cl16 N8 O32 -","8","4","","Fangrui Zhong; Jie Luo; Guo-Ying Chen; Xiaowei Dou; Yixin Lu","Highly Enantioselective Regiodivergent Allylic Alkylations of MBH Carbonates with Phthalides","Journal of the American Chemical Society","2012","134","","10222","10227","10.1021/ja303115m","","","0.71073","MoKα","","0.1407","0.0816","","","0.2041","0.2416","","","","","","0.981","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118099","8.8539","0.0011","11.5917","0.0014","10.5166","0.0012","90","","103.077","0.003","90","","1051.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 Br Cl2 O6 -","- C21 H15 Br Cl2 O6 -","- C42 H30 Br2 Cl4 O12 -","2","1","","Fangrui Zhong; Jie Luo; Guo-Ying Chen; Xiaowei Dou; Yixin Lu","Highly Enantioselective Regiodivergent Allylic Alkylations of MBH Carbonates with Phthalides","Journal of the American Chemical Society","2012","134","","10222","10227","10.1021/ja303115m","","","0.71073","MoKα","","0.0344","0.0316","","","0.0692","0.07","","","","","","0.965","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118100","6.301","0.0013","7.921","0.0016","15.916","0.003","90","","90","","90","","794.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Aaron Mailman; Stephen M. Winter; Xin Yu; Craig M. Robertson; Wenjun Yong; John S. Tse; Richard A. Secco; Zhenxian Liu; Paul A. Dube; Judith A. K. Howard; Richard T. Oakley","Crossing the Insulator-to-Metal Barrier with a Thiazyl Radical Conductor","Journal of the American Chemical Society","2012","134","","9886","9889","10.1021/ja303169y","","","0.6889","","","0.054","0.0534","","","0.1253","0.1258","","","","","","1.16","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118101","10.3022","0.0007","14.7258","0.001","18.459","0.0012","104.883","0.002","91.731","0.002","98.113","0.002","2672.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44.49 H38 Co2 F19.52 N10 O8.48 P2.51 S1.5 -","- C44.493 H38 Co2 F19.521 N10 O8.479 P2.507 S1.493 -","- C88.986 H76 Co4 F39.042 N20 O16.958 P5.014 S2.986 -","2","1","","Shunichi Fukuzumi; Sukanta Mandal; Kentaro Mase; Kei Ohkubo; Hyejin Park; Jordi Benet-Buchholz; Wonwoo Nam; Antoni Llobet","Catalytic Four-Electron Reduction of O2 via Rate-Determining Proton-Coupled Electron Transfer to a Dinuclear Cobalt-μ-1,2-peroxo Complex","Journal of the American Chemical Society","2012","134","","9906","9909","10.1021/ja303674n","","","0.71073","MoKα","","0.0498","0.0415","","","0.1094","0.1151","","","","","","1.06","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4118102","14.0028","0.0006","14.0551","0.0006","16.0751","0.0007","84.39","0.002","72.006","0.002","61.058","0.002","2628.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H41 Co2 F12 N10 O13 P S2 -","- C45 H41 Co2 F12 N10 O13 P S2 -","- C90 H82 Co4 F24 N20 O26 P2 S4 -","2","1","","Shunichi Fukuzumi; Sukanta Mandal; Kentaro Mase; Kei Ohkubo; Hyejin Park; Jordi Benet-Buchholz; Wonwoo Nam; Antoni Llobet","Catalytic Four-Electron Reduction of O2 via Rate-Determining Proton-Coupled Electron Transfer to a Dinuclear Cobalt-μ-1,2-peroxo Complex","Journal of the American Chemical Society","2012","134","","9906","9909","10.1021/ja303674n","","","0.71073","MoKα","","0.0993","0.071","","","0.208","0.2368","","","","","","1.058","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4118103","13.9792","0.0009","11.8611","0.0008","7.7282","0.0005","90","","112.748","0.004","90","","1181.73","0.14","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","nickel (0) nitrosyl iodide bipyridine","","- C10 H8 I N3 Ni O -","- C10 H8 I N3 Ni O -","- C40 H32 I4 N12 Ni4 O4 -","4","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0252","0.0199","","","0.0442","0.0456","","","","","","1.041","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118104","7.9403","0.0003","10.4457","0.0003","16.9595","0.0006","81.625","0.002","86.498","0.002","77.562","0.002","1358.35","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","nickel (0) nitrosyl bipyridine hexafluorophosphate","","- C10 H8 F6 N3 Ni O P -","- C10 H8 F6 N3 Ni O P -","- C40 H32 F24 N12 Ni4 O4 P4 -","4","2","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","1.54178","CuKα","","0.0504","0.0496","","","0.1435","0.1455","","","","","","1.017","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118105","9.1746","0.0012","12.0587","0.0016","12.7075","0.0016","91.115","0.002","102.721","0.002","107.306","0.002","1303.8","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","bis(bipyridine) nitrosyl nickel hexafluorophosphate","","- C22 H20 Cl3 F6 N5 Ni O P -","- C22 H20 Cl3 F6 N5 Ni O P -","- C44 H40 Cl6 F12 N10 Ni2 O2 P2 -","2","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0602","0.0482","","","0.1249","0.1322","","","","","","1.049","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118106","13.5487","0.0015","14.7806","0.0018","13.6462","0.0016","90","","110.055","0.007","90","","2567.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H22 Cl F6 N5 Ni O P -","- C24.5 H20 Cl F6 N5 Ni O P -","- C98 H80 Cl4 F24 N20 Ni4 O4 P4 -","4","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.1272","0.1096","","","0.2506","0.2565","","","","","","1.225","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118107","11.7637","0.0018","30.291","0.005","18.027","0.003","90","","104.34","0.003","90","","6223.5","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","acetylacetonate bis(bipyridine) nickel (II) hexafluorophosphate","","- C53 H52 Cl6 F12 N8 Ni2 O4 P2 -","- C53 H52 Cl6 F12 N8 Ni2 O4 P2 -","- C212 H208 Cl24 F48 N32 Ni8 O16 P8 -","4","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0665","0.047","","","0.1389","0.1511","","","","","","1.084","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118108","16.7015","0.0005","6.6866","0.0002","17.7346","0.0005","90","","90","","90","","1980.53","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-hyponitrite 2,2-bipridine nickel (II)","","- C10 H8 N4 Ni O2 -","- C10 H8 N4 Ni O2 -","- C80 H64 N32 Ni8 O16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0558","0.0309","","","0.0607","0.068","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118109","10.4308","0.0009","18.1887","0.0015","15.4186","0.0013","90","","101.419","0.001","90","","2867.4","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Be Cl2 N2 -","- C27 H36 Be Cl2 N2 -","- C108 H144 Be4 Cl8 N8 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.1284","0.0565","","","0.1431","0.1912","","","","","","1.006","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118110","10.4255","0.0007","17.9488","0.0011","15.9335","0.001","90","","98.579","0.001","90","","2948.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 B2 Be N2 -","- C27 H44 B2 Be N2 -","- C108 H176 B8 Be4 N8 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.0826","0.0527","","","0.1447","0.1707","","","","","","1.032","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118111","12.4807","0.0007","23.1679","0.0012","17.7375","0.001","90","","91.1","0.001","90","","5127.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B N4 -","- C54 H77 B N4 -","- C216 H308 B4 N16 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.0703","0.0499","","","0.1212","0.1375","","","","","","1.016","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118112","9.5379","0.0015","9.5379","0.0015","32.918","0.003","90","","90","","90","","2994.6","0.7","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C30 H31 Cl F6 O4 -","- C30 H31 Cl F6 O4 -","- C120 H124 Cl4 F24 O16 -","4","1","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1001","0.0424","","","0.1071","0.1307","","","","","","1.006","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118113","8.752","0.006","9.781","0.007","19.961","0.012","94.18","0.05","96.78","0.05","115.96","0.05","1510.7","1.9","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H31 F6 N3 O4 -","- C30 H31 F6 N3 O4 -","- C60 H62 F12 N6 O8 -","2","2","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1883","0.0577","","","0.1476","0.2153","","","","","","1.002","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118114","9.124","0.005","17.671","0.01","22.813","0.016","90","","94.6","0.05","90","","3666","4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H28 F12 N2 O5 -","- C35 H28 F12 N2 O5 -","- C140 H112 F48 N8 O20 -","4","1","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1006","0.0387","","","0.0868","0.1126","","","","","","1.012","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118115","19.5457","0.0015","12.2406","0.001","15.4763","0.0014","90","","114.233","0.005","90","","3376.5","0.5","90","0.5","90","0.5","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 O5 -","- C24 H14 O5 -","- C192 H112 O40 -","8","1","","Martha Sibrian-Vazquez; Jorge O. Escobedo; Mark Lowry; Frank R. Fronczek; Robert M. Strongin","Field Effects Induce Bathochromic Shifts in Xanthene Dyes","Journal of the American Chemical Society","2012","134","","10502","10508","10.1021/ja302445w","","","1.54178","CuKα","","0.039","0.033","","","0.085","0.089","","","","","","1.053","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118116","7.6357","0.0005","10.2341","0.0007","15.8115","0.001","71.208","0.001","84.809","0.001","82.183","0.001","1157.41","0.13","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C58 H50 N2 O8 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.037","0.0338","","","0.0831","0.0856","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118117","10.8423","0.0006","15.7551","0.0008","11.7158","0.0006","90","","101.55","0.001","90","","1960.78","0.18","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C92 H84 N12 O16 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0401","0.0357","","","0.0908","0.0945","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118118","9.1978","0.0002","13.4682","0.0003","15.3589","0.0003","90","","90","","90","","1902.63","0.07","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","1.54187","CuKα","","","0.037","","","","0.0978","","","","","","1.085","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118119","12.382","0.003","12.774","0.003","16.134","0.004","67.262","0.003","87.161","0.003","67.91","0.003","2167","0.9","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl2 N3 O8 -","- C52 H45 Cl2 N3 O8 -","- C104 H90 Cl4 N6 O16 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0845","0.0546","","","0.143","0.1613","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118120","10.9994","0.0013","11.0376","0.0013","15.942","0.003","94.613","0.002","93.838","0.002","114.641","0.001","1742.7","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N5 O8 -","- C41 H37 N5 O8 -","- C82 H74 N10 O16 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0973","0.0761","","","0.2411","0.2914","","","","","","1.192","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118121","11.758","0.006","16.793","0.009","17.869","0.009","90","","90.858","0.007","90","","3528","3","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N2 O8 S2 -","- C40 H36 N2 O8 S2 -","- C160 H144 N8 O32 S8 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0713","0.0436","","","0.094","0.1078","","","","","","1.035","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118122","11.676","0.002","11.698","0.002","14.139","0.003","66.91","0.003","81.911","0.003","79.155","0.003","1740","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H37 N3 O8 S -","- C41 H37 N3 O8 S -","- C82 H74 N6 O16 S2 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0982","0.0663","","","0.1497","0.1686","","","","","","1.015","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118123","14.4589","0.0016","14.972","0.0018","21.711","0.003","87.903","0.005","76.771","0.004","70.003","0.004","4294.9","0.9","113","2","113","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H94 B2 Cl4 Cu2 F8 N10 -","- C90 H94 B2 Cl4 Cu2 F8 N10 -","- C180 H188 B4 Cl8 Cu4 F16 N20 -","2","1","","Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara","Reversible Copper(II)/(I) Electrochemical Potential Switching Driven by Visible Light-Induced Coordinated Ring Rotation","Journal of the American Chemical Society","2012","134","","10543","10553","10.1021/ja3028873","","","0.7107","MoKα","","","0.0805","","","","0.2408","","","","","","1.055","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118124","12.1259","0.0013","6.5546","0.0007","13.8267","0.0015","90","","104.705","0.001","90","","1063","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,4R,5S)-2-((benzyloxy)methyl)-4-((S)-(4-bromophenyl) (hydroxy)methyl)-5-ethyl-2-methylcyclopentane-1,3-dione","","","- C23 H25 Br O4 -","- C23 H25 Br O4 -","- C46 H50 Br2 O8 -","2","1","","Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami","Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","10329","10332","10.1021/ja3032345","","","0.71073","MoKα","","0.0387","0.0335","","","0.081","0.1008","","","","","","1.093","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118125","10.435","0.0007","8.3916","0.0006","24.2782","0.0016","90","","91.363","0.002","90","","2125.4","0.3","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","(2S,4R,5S)-4-((S)-[1,1'-biphenyl]-4-yl(hydroxy)methyl) -5-ethyl-2-methyl-2-phenylcyclopentane-1,3-dione","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","2","","Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami","Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","10329","10332","10.1021/ja3032345","","","0.71073","MoKα","","0.0904","0.0694","","","0.17","0.183","","","","","","1.094","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118126","13.4958","0.0011","14.3753","0.0012","17.9042","0.0017","71.056","0.003","75.038","0.003","67.531","0.003","3000","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H69 Fe O P4 -","- C74.5 H69 Fe O P4 -","- C149 H138 Fe2 O2 P8 -","2","1","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.0621","0.0415","","","0.1034","0.1169","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118127","25.3","0.001","25.2876","0.001","18.7836","0.0007","90","","94.248","0.002","90","","11984.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Cl Fe O2 P4 -","- C60 H48 Cl Fe P4 -","- C480 H384 Cl8 Fe8 P32 -","8","1","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.0719","0.0451","","","0.12","0.1287","","","","","","1.006","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118128","65.292","0.009","10.4431","0.0013","42.546","0.006","90","","127.313","0.007","90","","23073","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.45 H66.9 Br Fe O2.36 P4 -","- C69.448 H66.896 Br Fe O2.362 P4 -","- C1111.17 H1070.34 Br16 Fe16 O37.792 P64 -","16","2","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.1311","0.0559","","","0.1225","0.1543","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118129","15.3","0.005","20.07","0.006","10.527","0.003","90","","108.105","0.004","90","","3072.5","1.6","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 B10 Co N O2 S4 -","- C16 H26 B10 Co N O2 S4 -","- C64 H104 B40 Co4 N4 O8 S16 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0914","0.0525","","","0.1041","0.1143","","","","","","0.824","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118130","16.6784","0.0018","15.9715","0.0017","10.6829","0.0012","90","","118.638","0.001","90","","2497.6","0.5","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H25 B10 Co O2 S4 -","- C15 H25 B10 Co O2 S4 -","- C60 H100 B40 Co4 O8 S16 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0767","0.0618","","","0.1452","0.1661","","","","","","1.081","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118131","14.55","0.007","8.957","0.004","15.106","0.007","90","","109.482","0.005","90","","1856","1.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B10 Co O2 S2 -","- C11 H19 B10 Co O2 S2 -","- C44 H76 B40 Co4 O8 S8 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0451","0.0377","","","0.1076","0.113","","","","","","1.038","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118132","11.537","0.003","14.299","0.003","21.519","0.005","91.374","0.003","102.151","0.004","101.032","0.003","3398.6","1.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H70 B20 Cl2 Co2 O9 S4 -","- C49 H70 B20 Cl2 Co2 O9 S4 -","- C98 H140 B40 Cl4 Co4 O18 S8 -","2","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0819","0.0508","","","0.0957","0.1011","","","","","","1.058","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118133","12.27","0.002","20.4427","0.0016","11.3772","0.0011","90","","106.603","0.002","90","","2734.8","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 B10 Co O4 S2 -","- C20 H31 B10 Co O4 S2 -","- C80 H124 B40 Co4 O16 S8 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0937","0.064","","","0.1241","0.13","","","","","","1.093","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118134","24.766","0.003","12.8891","0.0015","25.154","0.004","90","","113.668","0.002","90","","7354.1","1.7","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 B20 Co O4 S4 -","- C22 H37 B20 Co O4 S4 -","- C176 H296 B160 Co8 O32 S32 -","8","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.1026","0.0459","","","0.0755","0.0892","","","","","","0.815","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118135","14.517","0.005","7.166","0.003","13.861","0.005","90","","109.016","0.006","90","","1363.3","0.9","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 -","- C38 H32 -","- C76 H64 -","2","0.5","","Daniel T. Chase; Aaron G. Fix; Seok Ju Kang; Bradley D. Rose; Christopher D. Weber; Yu Zhong; Lev N. Zakharov; Mark C. Lonergan; Colin Nuckolls; Michael M. Haley","6,12-Diarylindeno[1,2-b]fluorenes: Syntheses, Photophysics, and Ambipolar OFETs","Journal of the American Chemical Society","2012","134","","10349","10352","10.1021/ja303402p","","","0.71073","MoKα","","0.0617","0.0456","","","0.1095","0.1189","","","","","","1.065","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118136","13.0971","0.0009","13.5557","0.0009","18.2431","0.0012","89.216","0.004","88.444","0.003","88.19","0.003","3235.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C150 H156 Co2 N20 O12 -","2","1","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0744","0.0496","","","0.1276","0.1466","","","","","","1.084","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118137","18.586","0.004","19.17","0.004","18.316","0.004","90","","90.25","0.03","90","","6526","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0783","0.0477","","","0.1139","0.1226","","","","","","0.945","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118138","18.5681","0.0007","19.2564","0.0008","18.4497","0.0007","90","","90.169","0.002","90","","6596.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0911","0.0486","","","0.1266","0.1498","","","","","","1.013","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118139","18.711","0.002","19.566","0.003","18.725","0.003","90","","90.824","0.005","90","","6854.5","1.7","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1091","0.0606","","","0.1755","0.2052","","","","","","1.023","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118140","13.155","0.002","13.517","0.002","18.249","0.003","89.416","0.011","88.707","0.011","88.007","0.011","3242","0.9","80","2","80","2","","","","","","","","5","P -1","-P 1","2","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C150 H156 Co2 N20 O12 -","2","1","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1379","0.0869","","","0.2102","0.2403","","","","","","1.074","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118141","18.464","0.002","19.165","0.002","18.3257","0.0018","90","","90.082","0.004","90","","6484.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1203","0.1028","","","0.2848","0.2974","","","","","","1.152","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118142","18.7514","0.0003","19.5309","0.0003","17.8719","0.0003","90","","91.065","0.001","90","","6544.13","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)(O2)]1.8EtOH","","","- C71.6 H80.8 Co N10 O7.8 -","- C71.6 H70 Co N10 O7.8 -","- C286.4 H280 Co4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0676","0.0559","","","0.1591","0.1703","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118143","18.5678","0.0007","19.5594","0.0008","17.8219","0.0006","90","","90.954","0.002","90","","6471.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)0.4(O2)]2EtOH","","","- C72 H82 Co N10 O6.8 -","- C72 H70 Co N10 O6.8 -","- C288 H280 Co4 N40 O27.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0593","0.0509","","","0.1399","0.1512","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118144","18.9063","0.0005","19.6633","0.0005","18.3473","0.0005","90","","91.666","0.001","90","","6817.9","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)0.3(O2)]1.8EtOH","","","- C71.6 H80.8 Co N10 O6.4 -","- C71.6 H70 Co N10 O6.4 -","- C286.4 H280 Co4 N40 O25.6 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1219","0.0758","","","0.2301","0.2646","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118145","18.6326","0.0003","19.6158","0.0003","17.905","0.0003","90","","90.879","0.001","90","","6543.39","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)]1.8EtOH","","","- C71.6 H82 Co N10 O5.8 -","- C71.6 H70 Co N10 O5.8 -","- C286.4 H280 Co4 N40 O23.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0733","0.0572","","","0.1633","0.1776","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118146","24.4424","0.0012","29.282","0.002","30.7048","0.0013","90","","90","","90","","21976","2","293","2","293","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C64 H56 Cl3 Mn6 N8 O24 -","- C64 H48 Cl3 Mn6 N8 O24 -","- C512 H384 Cl24 Mn48 N64 O192 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.101","0.0766","","","0.1891","0.2104","","","","","","1.259","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118147","24.0125","0.0012","28.8745","0.0017","31.348","0.002","90","","90","","90","","21735","2","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C52 H36 Cl2 Mn5 N4 Ni O24 -","- C52 H20 Cl2 Mn5 N4 Ni O24 -","- C416 H160 Cl16 Mn40 N32 Ni8 O192 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.1142","0.098","","","0.2277","0.2472","","","","","","1.017","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118148","24.135","0.007","29.2","0.009","31.833","0.009","90","","90","","90","","22434","11","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C52 H32 Cd5 Cl3 Mn N4 O22 -","- C52 H20 Cd5 Cl3 Mn N4 O22 -","- C416 H160 Cd40 Cl24 Mn8 N32 O176 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.2568","0.1054","","","0.1821","0.2231","","","","","","0.804","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118149","6.5109","0.0004","11.2402","0.0006","9.7941","0.0005","90","","105.228","0.003","90","","691.6","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum(III) Borate Chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0173","0.0166","","","0.0349","0.0353","","","","","","1.03","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118150","6.5079","0.0009","11.2082","0.0016","9.7133","0.0014","90","","105.25","0.007","90","","683.56","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cerium(III) Borate Chloride","","","- B4 Ce Cl O8 -","- B4 Ce Cl O8 -","- B16 Ce4 Cl4 O32 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0173","0.0169","","","0.0389","0.0391","","","","","","1.103","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118151","10.448","0.003","6.4192","0.0018","23.051","0.006","90","","97.22","0.003","90","","1533.7","0.7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Samarium(III) Borate Chloride","","","- B18 Cl3 O38 Sm4 -","- B18 Cl3 O38 Sm4 -","- B36 Cl6 O76 Sm8 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0601","0.0398","","","0.0851","0.093","","","","","","1.042","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118152","10.4397","0.0003","6.4189","0.0002","23.0367","0.0006","90","","97.196","0.002","90","","1531.56","0.08","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Europium(III) Borate Chloride","","","- B18 Cl3 Eu4 O38 -","- B18 Cl3 Eu4 O38 -","- B36 Cl6 Eu8 O76 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0441","0.0288","","","0.0543","0.0574","","","","","","0.904","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118153","8.346","0.019","8.346","0.019","20.58","0.08","90","","90","","120","","1241","6","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Yttrium(III) Borate Chloride","","","- B6 O12 Y -","- B6 O12 Y -","- B36 O72 Y6 -","6","0.333333","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0311","0.0273","","","0.0626","0.0654","","","","","","1.055","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118154","6.4898","0.0012","11.174","0.002","9.6183","0.0017","90","","105.15","0.002","90","","673.2","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Plutonium(III) borate chloride","","","- B4 Cl O8 Pu -","- B4 Cl O8 Pu -","- B16 Cl4 O32 Pu4 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.026","0.0227","","","0.0406","0.0416","","","","","","0.996","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118155","8.0522","0.0017","14.568","0.003","9.82","0.002","90","","90.12","0.002","90","","1151.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Plutonium(III) borate chloride","","","- B13 Cl2 O27 Pu2 -","- B13 Cl2 O27 Pu2 -","- B26 Cl4 O54 Pu4 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0563","0.0547","","","0.1277","0.1284","","","","","","1.356","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118156","7.703","0.0015","16.688","0.003","9.872","0.002","90","","90.073","0.006","90","","1269","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Americium(III) borate","","","- Am B9 O18 -","- Am B9 O18 -","- Am4 B36 O72 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0155","0.0143","","","0.0364","0.037","","","","","","1.103","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118157","7.9561","0.0017","14.212","0.003","9.836","0.002","90","","90.013","0.002","90","","1112.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Curium(III) borate chloride","","","- B14 Cl Cm2 O29 -","- B14 Cl Cm2 O29 -","- B28 Cl2 Cm4 O58 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0608","0.057","","","0.127","0.1302","","","","","","1.276","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118158","13.7772","0.0009","9.085","0.0002","13.841","0.0009","90","","152.431","0.011","90","","801.8","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Br N2 O4 -","- C15 H17 Br N2 O4 -","- C30 H34 Br2 N4 O8 -","2","1","","Aurélien Alix; Claudia Lalli; Pascal Retailleau; Géraldine Masson","Highly Enantioselective Electrophilic α-Bromination of Enecarbamates: Chiral Phosphoric Acid and Calcium Phosphate Salt Catalysts","Journal of the American Chemical Society","2012","134","","10389","10392","10.1021/ja304095z","","","1.54187","CuKα","","0.0322","0.0298","","","0.0753","0.0793","","","","","","1.059","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118159","11.9228","0.0003","12.6026","0.0004","14.6366","0.0004","93.9513","0.0011","101.734","0.0015","114.692","0.0014","1926.94","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 B F15 Sc -","- C41 H34 B F15 Sc -","- C82 H68 B2 F30 Sc2 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez; Ludovic Castro; Laurent Maron; Odile Eisenstein","Carbon Monoxide Activation via O-Bound CO Using Decamethylscandocinium-Hydridoborate Ion Pairs","Journal of the American Chemical Society","2012","134","","10843","10851","10.1021/ja300591v","","","0.71073","MoKα","","0.0631","0.0536","","","0.1313","0.1397","","","","","","1.043","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118160","10.6944","0.0005","12.3689","0.0005","14.744","0.0007","100.107","0.003","99.133","0.002","106.462","0.002","1795.89","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 B F15 O Sc -","- C39 H31 B F15 O Sc -","- C78 H62 B2 F30 O2 Sc2 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez; Ludovic Castro; Laurent Maron; Odile Eisenstein","Carbon Monoxide Activation via O-Bound CO Using Decamethylscandocinium-Hydridoborate Ion Pairs","Journal of the American Chemical Society","2012","134","","10843","10851","10.1021/ja300591v","","","0.71073","MoKα","","0.1422","0.09","","","0.1517","0.1831","","","","","","1.141","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118161","11.937","0.002","12.301","0.003","19.403","0.004","84.41","0.03","84.81","0.03","66.45","0.03","2595.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Si8 Sn Ti -","- C32 H73 P Si8 Sn Ti -","- C64 H146 P2 Si16 Sn2 Ti2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0404","0.0341","","","0.0869","0.0894","","","","","","1.052","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118162","11.97","0.002","12.369","0.003","19.643","0.004","84.07","0.03","84.17","0.03","66.45","0.03","2646","1.1","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Si8 Sn Zr -","- C32 H73 P Si8 Sn Zr -","- C64 H146 P2 Si16 Sn2 Zr2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.076","0.0567","","","0.1245","0.1315","","","","","","1.025","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118163","11.903","0.002","12.278","0.003","19.495","0.004","84.47","0.03","84.22","0.03","66.37","0.03","2592","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Hf P Si8 Sn -","- C32 H73 Hf P Si8 Sn -","- C64 H146 Hf2 P2 Si16 Sn2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0945","0.0652","","","0.1404","0.1498","","","","","","1.012","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118164","11.95","0.002","12.274","0.003","19.463","0.004","84.78","0.03","84.62","0.03","66.66","0.03","2605","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Pb Si8 Ti -","- C32 H73 P Pb Si8 Ti -","- C64 H146 P2 Pb2 Si16 Ti2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0388","0.0354","","","0.0849","0.0869","","","","","","0.846","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118165","11.983","0.002","12.362","0.003","19.723","0.004","84.33","0.03","84.13","0.03","66.64","0.03","2662.7","1.1","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Pb Si8 Zr -","- C32 H73 P Pb Si8 Zr -","- C64 H146 P2 Pb2 Si16 Zr2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.125","0.0952","","","0.1904","0.2038","","","","","","1.086","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118166","11.96","0.002","12.314","0.003","19.595","0.004","84.66","0.03","84.17","0.03","66.45","0.03","2627.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Hf P Pb Si8 -","- C32 H73 Hf P Pb Si8 -","- C64 H146 Hf2 P2 Pb2 Si16 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.1179","0.0892","","","0.1808","0.1932","","","","","","1.132","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118167","25.784","0.005","27.759","0.006","13.721","0.003","90","","103.55","0.03","90","","9547","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H134 N Si18 Sn2 Ti2 -","- C58 H134 N Si18 Sn2 Ti2 -","- C232 H536 N4 Si72 Sn8 Ti8 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.1291","0.0733","","","0.1298","0.1471","","","","","","0.991","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118168","4.1371","0.0007","4.1371","0.0007","21.477","0.004","90","","90","","90","","367.59","0.11","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C2 F O2 Pb -","- C2 F O2 Pb -","- C8 F4 O8 Pb4 -","4","0.25","","Honghan Fei; Catherine H. Pham; Scott R. J. Oliver","Anion Exchange of the Cationic Layered Material [Pb2F2]2+","Journal of the American Chemical Society","2012","134","","10729","10732","10.1021/ja3017686","","","0.71073","MoKα","","0.0178","0.0176","","","0.0506","0.0508","","","","","","1.245","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118169","4.116","0.003","4.116","0.003","24.003","0.015","90","","90","","90","","406.6","0.5","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C5 H6 F2 O4 Pb2 -","- C5 F2 O4 Pb2 -","- C10 F4 O8 Pb4 -","2","0.125","","Honghan Fei; Catherine H. Pham; Scott R. J. Oliver","Anion Exchange of the Cationic Layered Material [Pb2F2]2+","Journal of the American Chemical Society","2012","134","","10729","10732","10.1021/ja3017686","","","0.71073","MoKα","","0.02","0.019","","","0.0461","0.0476","","","","","","1.163","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118170","20.4048","0.0018","24.623","0.002","21.1059","0.0017","90","","110.876","0.003","90","","9908.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H127 N13 O3 S -","- C112 H127 N13 O3 S -","- C448 H508 N52 O12 S4 -","4","1","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.2779","0.1373","","","0.3502","0.4406","","","","","","1.036","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118171","10.7378","0.0018","22.469","0.004","18.161","0.003","90","","106.645","0.005","90","","4198.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C202 H200 N28 O6 -","- C202 H200 N28 O6 -","- C202 H200 N28 O6 -","1","0.25","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.1649","0.1291","","","0.327","0.348","","","","","","1.137","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118172","10.7481","0.0009","22.503","0.002","18.018","0.0016","90","","105.8","0.003","90","","4193.3","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 N14 -","- C96 H94 N14 -","- C192 H188 N28 -","2","0.5","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.0813","0.0566","","","0.1473","0.1647","","","","","","1.026","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118173","6.3965","0.0015","17.194","0.004","16.729","0.004","90","","92.658","0.008","90","","1837.9","0.7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(cyclohexylisocyanide)gold(I) hexafluoroarsenate","","","- C14 H22 As Au F6 N2 -","- C14 H22 As Au F6 N2 -","- C56 H88 As4 Au4 F24 N8 -","4","1","","Mark A. Malwitz; Sang Ho Lim; Rochelle L. White-Morris; David M. Pham; Marilyn M. Olmstead; Alan L. Balch","Crystallization and Interconversions of Vapor-Sensitive, Luminescent Polymorphs of [(C6H11NC)2AuI](AsF6) and [(C6H11NC)2AuI](PF6)","Journal of the American Chemical Society","2012","134","","10885","10893","10.1021/ja302025m","","","0.71073","MoKα","","0.0241","0.0198","","","0.0488","0.0501","","","","","","1.163","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118174","11.7708","0.0012","12.4924","0.0013","14.783","0.003","113.248","0.002","106.757","0.002","91.716","0.002","1886.8","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","[Au(CNCy)~2~][AsF~6~] yellow polymorph","","","- C14 H22 As Au F6 N2 -","- C14 H22 As Au F6 N2 -","- C56 H88 As4 Au4 F24 N8 -","4","2","","Mark A. Malwitz; Sang Ho Lim; Rochelle L. White-Morris; David M. Pham; Marilyn M. Olmstead; Alan L. Balch","Crystallization and Interconversions of Vapor-Sensitive, Luminescent Polymorphs of [(C6H11NC)2AuI](AsF6) and [(C6H11NC)2AuI](PF6)","Journal of the American Chemical Society","2012","134","","10885","10893","10.1021/ja302025m","","","0.71073","MoKα","","0.0748","0.0575","","","0.1555","0.1641","","","","","","1.072","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118175","25.6869","0.0008","15.1248","0.0005","21.3153","0.0006","90","","97.368","0.002","90","","8212.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C3v(134)-C94.Ni(OEP).2toluene","","","- C144 H60 N4 Ni Sm -","- C141.022 H57.4 N4 Ni Sm0.9987 -","- C564.088 H229.6 N16 Ni4 Sm3.9948 -","4","0.5","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.7749","synchrotron","","0.0568","0.0517","","","0.146","0.1523","","","","","","1.05","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118176","47.306","0.004","15.084","0.0012","25.625","0.002","90","","117.664","0.002","90","","16195","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sm@Cs(24)-C92.Ni(OEP).1.6toluene.0.4benzene","","","- C141.6 H59.2 N4 Ni Sm -","- C141.6 H59.2 N4 Ni Sm -","- C1132.8 H473.6 N32 Ni8 Sm8 -","8","1","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.71073","MoKα","","0.1502","0.1203","","","0.3335","0.352","","","","","","2.493","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118177","25.5517","0.0007","15.3002","0.0004","20.8629","0.0006","90","","95.307","0.004","90","","8121.3","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@(C1-42-C92).NiOEP.2toluene","","","- C142 H60 N4 Ni Sm -","- C139.5 H57 N4 Ni Sm -","- C558 H228 N16 Ni4 Sm4 -","4","0.5","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.71073","MoKα","","0.0853","0.0603","","","0.1615","0.1813","","","","","","1.037","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118178","7.9626","0.0003","36.6534","0.0011","5.6635","0.0002","90","","90","","90","","1652.93","0.1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C64 H76 Br4 O12 -","4","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0401","0.0368","","","0.0913","0.0926","","","","","","1.089","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118179","11.1117","0.0005","5.5288","0.0003","14.6321","0.0007","90","","104.084","0.002","90","","871.89","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0258","0.0254","","","0.0692","0.0697","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118180","5.7546","0.0012","12.147","0.002","12.151","0.002","104.48","0.02","90.08","0.03","90.16","0.03","822.4","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","2","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.03","0.0299","","","0.086","0.0861","","","","","","1.02","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118181","5.5849","0.0004","9.4558","0.0006","9.9361","0.0007","116.623","0.005","94.611","0.006","90.704","0.004","466.88","0.06","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C21 H28 O3 -","1","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0484","0.0448","","","0.1175","0.1214","","","","","","1.048","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118182","5.4496","0.0004","13.7116","0.0008","25.4795","0.0015","90","","90","","90","","1903.9","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 O3 -","- C84 O12 -","4","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0999","0.0841","","","0.2394","0.2531","","","","","","1.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118183","9.7036","0.0005","16.2275","0.0017","22.5692","0.0011","80.041","0.002","87.649","0.006","86.36","0.004","3491.6","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H108 F6 N12 O22 Pd2 S2 -","- C114 H108 F6 N12 O22 Pd2 S2 -","- C114 H108 F6 N12 O22 Pd2 S2 -","1","0.5","","Ryo Sekiya; Morihiko Fukuda; Reiko Kuroda","Anion-Directed Formation and Degradation of an Interlocked Metallohelicate","Journal of the American Chemical Society","2012","134","","10987","10997","10.1021/ja303634u","","x-ray","0.71073","MoKα","","0.1935","0.1139","","","0.3","0.3284","","","","","","0.962","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118184","6.275","0.004","7.387","0.003","16.399","0.007","90","","94.918","0.011","90","","757.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H14 Br F3 O3 -","- C15 H14 Br F3 O3 -","- C30 H28 Br2 F6 O6 -","2","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Electrophilic Trifluoromethylation of β-Ketoesters","Journal of the American Chemical Society","2012","134","","10769","10772","10.1021/ja3039773","","x-ray","0.71073","MoKα","","0.0386","0.031","","","0.0625","0.0649","","","","","","1.036","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118185","9.49361","0.00019","9.58111","0.0002","11.7944","0.0002","84.2465","0.0016","66.5081","0.0018","75.4175","0.0017","952.2","0.04","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C40 H50 F6 O6 -","2","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Electrophilic Trifluoromethylation of β-Ketoesters","Journal of the American Chemical Society","2012","134","","10769","10772","10.1021/ja3039773","","x-ray","1.5418","CuKα","","0.0417","0.0409","","","0.1101","0.1111","","","","","","1.035","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118186","11.2716","0.0002","11.5021","0.0002","19.3305","0.0004","90","","100.093","0.001","90","","2467.36","0.08","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 B N2 -","- C31 H31 B N2 -","- C124 H124 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.0525","0.0421","","","0.1015","0.1078","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118187","12.848","0.011","13.839","0.012","13.201","0.011","90","","92.276","0.011","90","","2345","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 B N2 -","- C28 H31 B N2 -","- C112 H124 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.3843","0.092","","","0.1703","0.2875","","","","","","0.919","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118188","11.9281","0.0008","13.8623","0.001","15.7265","0.0011","90","","103.307","0.001","90","","2530.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 B N2 -","- C32 H33 B N2 -","- C128 H132 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.0698","0.0478","","","0.1102","0.1221","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118189","11.3963","0.0009","11.0691","0.0008","19.3717","0.0013","90","","93.13","0.005","90","","2440","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 B N2 -","- C32 H33 B N2 -","- C128 H132 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.1995","0.0726","","","0.1383","0.1853","","","","","","0.924","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118190","12.909","0.004","11.611","0.004","30.691","0.009","90","","100.955","0.006","90","","4516","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 B N2 -","- C27 H29 B N2 -","- C216 H232 B8 N16 -","8","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.1708","0.0937","","","0.1971","0.2343","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118191","25.6","0.003","14.6115","0.0013","13.2509","0.0011","90","","90","","90","","4956.6","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H31 B N2 -","- C28 H31 B N2 -","- C224 H248 B8 N16 -","8","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.2249","0.0942","","","0.1951","0.2476","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118192","8.1624","0.0013","13.199","0.002","17.708","0.003","108.26","0.002","92.017","0.002","93.497","0.002","1805.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H56 O4 Si2 -","- C35 H56 O4 Si2 -","- C70 H112 O8 Si4 -","2","1","","Sang Young Yun; Kung-Pern Wang; Mansuk Kim; Daesung Lee","Nonmetathetic Activity of Ruthenium Alkylidene Complexes: 1,4-Hydrovinylative Cyclization of Multiynes with Ethylene","Journal of the American Chemical Society","2012","134","","10783","10786","10.1021/ja304255h","","","0.71073","MoKα","","0.0543","0.0374","","","0.1093","0.1297","","","","","","0.781","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118193","12.965","0.004","11.375","0.003","22.117","0.007","90","","91.863","0.014","90","","3260","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PSF-IV-271","hartwig07","","- C25 H46 Cu F3 N4 O4 S -","- C25 H46 Cu F3 N4 O4 S -","- C100 H184 Cu4 F12 N16 O16 S4 -","4","1","","Patrick S. Fier; John F. Hartwig","Copper-Mediated Fluorination of Aryl Iodides","Journal of the American Chemical Society","2012","134","","10795","10798","10.1021/ja304410x","","","0.71073","MoKα","","0.0335","0.0257","","","0.0632","0.0671","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118194","9.2021","0.0003","10.0062","0.0004","17.8241","0.0006","90","","90","","90","","1641.21","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","PSF-IV-257","hartwig08","","- C11 H18 Cu F3 N2 O3 S -","- C11 H18 Cu F3 N2 O3 S -","- C44 H72 Cu4 F12 N8 O12 S4 -","4","1","","Patrick S. Fier; John F. Hartwig","Copper-Mediated Fluorination of Aryl Iodides","Journal of the American Chemical Society","2012","134","","10795","10798","10.1021/ja304410x","","","0.71073","MoKα","","0.025","0.0227","","","0.0516","0.0526","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118195","9.387","0.006","14.868","0.009","10.007","0.006","90","","117.318","0.009","90","","1240.9","1.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.0663","0.0565","","","0.1513","0.1623","","","","","","1.062","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118196","12.291","0.007","14.645","0.008","9.589","0.006","90","","97.98","0.02","90","","1709.3","1.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.253","0.0915","","","0.1813","0.2772","","","","","","1.072","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118197","6.231","0.002","7.756","0.003","26.639","0.01","90","","90","","90","","1287.4","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl O -","- C15 H17 Cl O -","- C60 H68 Cl4 O4 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.0326","0.0314","","","0.086","0.0874","","","","","","1.018","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118198","11.214","0.002","12.161","0.002","21.67","0.004","87.342","0.003","81.058","0.003","65.693","0.003","2660","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H96 O10 Rh2 -","- C48 H96 O10 Rh2 -","- C96 H192 O20 Rh4 -","2","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.075","0.05","","","0.1114","0.1255","","","","","","1.017","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118199","15.83","0.008","7.718","0.004","9.003","0.004","90","","90","","90","","1099.9","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H15 Cl3 Cu N2 O -","- C6 H15 Cl3 Cu N2 O -","- C24 H60 Cl12 Cu4 N8 O4 -","4","1","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0184","0.0181","","","0.0532","0.0533","","","","","","1.097","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118200","15.729","0.003","9.041","0.0018","7.7954","0.0016","90","","90","","90","","1108.6","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H15 Cl3 Cu N2 O -","- C6 H15 Cl3 Cu N2 O -","- C24 H60 Cl12 Cu4 N8 O4 -","4","0.5","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0329","0.0315","","","0.0761","0.0769","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118201","15.847","0.007","7.682","0.003","8.976","0.004","90","","90","","90","","1092.7","0.8","93","2","93","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H12 Cl3 Cu D3 N2 O -","- C6 H12 Cl3 Cu D3 N2 O -","- C24 H48 Cl12 Cu4 D12 N8 O4 -","4","1","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0201","0.0197","","","0.0477","0.0479","","","","","","1.053","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118202","15.818","0.003","9.095","0.0018","7.85","0.0016","90","","90","","90","","1129.3","0.4","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H12 Cl3 Cu D3 N2 O -","- C6 H12 Cl3 Cu D3 N2 O -","- C24 H48 Cl12 Cu4 D12 N8 O4 -","4","0.5","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0297","0.0275","","","0.0666","0.0677","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118203","13.891","0.002","10.0196","0.0018","22.79","0.002","90","","90","","90","","3172","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H22 Br N O5 S -","- C12 H22 Br N O5 S -","- C96 H176 Br8 N8 O40 S8 -","8","1","","Christopher S. Adams; Luke A. Boralsky; Ilia A. Guzei; Jennifer M. Schomaker","Modular Functionalization of Allenes to Aminated Stereotriads","Journal of the American Chemical Society","2012","134","","10807","10810","10.1021/ja304859w","","","1.54178","CuKα","","0.0409","0.0345","","","0.0814","0.0853","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118204","8.3944","0.0003","9.6158","0.0005","12.7663","0.0006","74.492","0.001","71.769","0.002","79.369","0.001","937.38","0.07","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H42 Br N O5 S -","- C44 H42 Br N O5 S -","- C44 H42 Br N O5 S -","1","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0574","0.0432","","","0.1063","0.138","","","","","","1.085","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118205","9.4628","0.0004","10.2341","0.0008","10.2812","0.0005","114.352","0.003","116.121","0.002","94.339","0.003","773.13","0.09","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H31 N O4 S -","- C39 H31 N O4 S -","- C39 H31 N O4 S -","1","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0389","0.0361","","","0.0897","0.0918","","","","","","1.063","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118206","8.6399","0.0002","8.7456","0.0003","21.0282","0.0006","90","","101.385","0.001","90","","1557.65","0.08","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H33 N O4 S -","- C36 H33 N O4 S -","- C72 H66 N2 O8 S2 -","2","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0553","0.0453","","","0.1054","0.1155","","","","","","1.055","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118207","10.7247","0.0004","10.7247","0.0004","50.097","0.002","90","","90","","120","","4990.1","0.3","103","2","103","2","","","","","","","","5","P 65","P 65","170","","","","- C41 H35 N O4 S -","- C41 H35 N O4 S -","- C246 H210 N6 O24 S6 -","6","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0769","0.0581","","","0.134","0.1524","","","","","","1.116","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118208","11.8176","0.0005","14.2902","0.0005","19.048","0.0009","90","","90","","90","","3216.7","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 D N O4 S -","- C40 H33 N O4 S -","- C160 H132 N4 O16 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0556","0.0449","","","0.1054","0.1109","","","","","","1.04","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118209","9.5692","0.0007","20.1333","0.0017","28.937","0.002","90","","90","","90","","5575","0.7","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60.5 H60 Au Cl N O4 P S -","- C60.5 H60 Au Cl N O4 P S -","- C242 H240 Au4 Cl4 N4 O16 P4 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0741","0.0472","","","0.1021","0.1253","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118210","9.5871","0.0004","17.2928","0.001","20.7027","0.0012","90","","90","","90","","3432.3","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H35 N O4 S -","- C45 H35 N O4 S -","- C180 H140 N4 O16 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0559","0.0433","","","0.1021","0.1161","","","","","","1.087","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118211","11.8294","0.0005","14.2973","0.0005","19.0353","0.0007","90","","90","","90","","3219.4","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H33.5 N O4.25 S -","- C40 H33.5 N O4.25 S -","- C160 H134 N4 O17 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0876","0.0757","","","0.1693","0.1824","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118212","26.035","0.003","9.9696","0.001","8.196","0.0008","90","","95.412","0.002","90","","2117.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F6 N2 O4 -","- C22 H16 F6 N2 O4 -","- C88 H64 F24 N8 O16 -","4","1","","Ge-Fei Hao; Fu Wang; Hui Li; Xiao-Lei Zhu; Wen-Chao Yang; Li-Shar Huang; Jia-Wei Wu; Edward A. Berry; Guang-Fu Yang","Computational Discovery of Picomolar Qo Site Inhibitors of Cytochrome bc1 Complex","Journal of the American Chemical Society","2012","134","","11168","11176","10.1021/ja3001908","","","0.71073","MoKα","","0.1219","0.0703","","","0.1467","0.1656","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118213","12.0588","0.0006","16.9746","0.0009","13.2038","0.0007","90","","112.895","0.001","90","","2489.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F12 N O3 W -","- C23 H19 F12 N O3 W -","- C92 H76 F48 N4 O12 W4 -","4","1","","Matthew E. O'Reilly; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","A New ONO3-Trianionic Pincer-Type Ligand for Generating Highly Nucleophilic Metal-Carbon Multiple Bonds","Journal of the American Chemical Society","2012","134","","11185","11195","10.1021/ja302222s","","","0.71073","MoKα","","0.03","0.0187","","","0.0338","0.0352","","","","","","0.901","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118214","8.5483","0.0003","9.4574","0.0003","19.5076","0.0006","86.891","0.002","82.183","0.002","70.699","0.002","1474.54","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26.94 Br0.03 F12 N O3 W -","- C27 H26 Br0.03 F12 N O3 W -","- C54 H52 Br0.06 F24 N2 O6 W2 -","2","1","","Matthew E. O'Reilly; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","A New ONO3-Trianionic Pincer-Type Ligand for Generating Highly Nucleophilic Metal-Carbon Multiple Bonds","Journal of the American Chemical Society","2012","134","","11185","11195","10.1021/ja302222s","","","0.71073","MoKα","","0.0337","0.0251","","","0.0476","0.0503","","","","","","1.05","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118215","13.567","0.0012","15.9004","0.0013","12.846","0.001","90","","98.956","0.005","90","","2737.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 N4 S5 -","- C30 H16 N4 S5 -","- C120 H64 N16 S20 -","4","0.5","","Roland Fitzner; Elena Mena-Osteritz; Amaresh Mishra; Gisela Schulz; Egon Reinold; Matthias Weil; Christian Körner; Hannah Ziehlke; Chris Elschner; Karl Leo; Moritz Riede; Martin Pfeiffer; Christian Uhrich; Peter Bäuerle","Correlation of π-Conjugated Oligomer Structure with Film Morphology and Organic Solar Cell Performance","Journal of the American Chemical Society","2012","134","","11064","11067","10.1021/ja302320c","","","0.71073","MoKα","","0.0803","0.0574","","","0.137","0.1527","","","","","","1.081","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118216","15.3726","0.0006","16.4674","0.0008","17.1716","0.0006","90","","105.749","0.002","90","","4183.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H35 F3 N2 O3 -","- C31 H35 F3 N2 O3 -","- C186 H210 F18 N12 O18 -","6","3","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0858","0.0409","","","0.0849","0.1045","","","","","","0.975","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118217","9.2509","0.0006","15.2491","0.0015","15.8315","0.0015","90","","90","","90","","2233.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cl F3 O2 -","- C11 H10 Cl F3 O2 -","- C88 H80 Cl8 F24 O16 -","8","2","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.098","0.0464","","","0.0667","0.0784","","","","","","0.974","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118218","20.563","0.0018","5.9491","0.0005","19.7934","0.0018","90","","109.926","0.003","90","","2276.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl F3 O2 -","- C11 H10 Cl F3 O2 -","- C88 H80 Cl8 F24 O16 -","8","1","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0683","0.0378","","","0.0852","0.0958","","","","","","0.951","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118219","8.8952","0.0009","7.6628","0.0005","16.6493","0.0016","90","","117.473","0.005","90","","1006.87","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F3 N O -","- C10 H10 F3 N O -","- C40 H40 F12 N4 O4 -","4","1","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0911","0.0426","","","0.0685","0.0798","","","","","","1.011","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118220","11.1381","0.0002","13.5002","0.0003","16.7786","0.0003","83.763","0.001","73.921","0.001","70.688","0.001","2287.43","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H54 O12 -","- C55 H54 O12 -","- C110 H108 O24 -","2","1","","Shinji Ando; Eisuke Ohta; Atsuko Kosaka; Daisuke Hashizume; Hiroyuki Koshino; Takanori Fukushima; Takuzo Aida","Remarkable Effects of Terminal Groups and Solvents on Helical Folding of o-Phenylene Oligomers","Journal of the American Chemical Society","2012","134","","11084","11087","10.1021/ja303117z","","","1.54187","CuKα","","0.0345","0.0321","","","0.0807","0.0823","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118221","12.501","0.0011","15.3747","0.0015","16.5206","0.0016","78.999","0.005","76.081","0.005","75.721","0.005","2957.5","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H68 N2 O16 -","- C68 H68 N2 O16 -","- C136 H136 N4 O32 -","2","1","","Shinji Ando; Eisuke Ohta; Atsuko Kosaka; Daisuke Hashizume; Hiroyuki Koshino; Takanori Fukushima; Takuzo Aida","Remarkable Effects of Terminal Groups and Solvents on Helical Folding of o-Phenylene Oligomers","Journal of the American Chemical Society","2012","134","","11084","11087","10.1021/ja303117z","","","0.71073","MoKα","","0.0924","0.0664","","","0.1578","0.1779","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118222","23.9264","0.0008","19.2244","0.0007","39.5966","0.0014","90","","96.328","0.002","90","","18102.3","1.1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C167 H157 Cl15 N34 O30 -","- C167 H157 Cl15 N34 O30 -","- C668 H628 Cl60 N136 O120 -","4","1","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.5418","CuKα","","0.2598","0.1385","","","0.3745","0.4317","","","","","","1.153","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118223","40.8514","0.0009","37.8785","0.0012","31.65","0.0009","90","","90.577","0.001","90","","48972","2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C160 H160 Cl9 N40 O40 -","- C207 H162 Cl3 N41 O33 -","- C1656 H1296 Cl24 N328 O264 -","8","2","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.5418","CuKα","","0.2941","0.1733","","","0.4277","0.4867","","","","","","1.129","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118224","45.603","0.009","20.476","0.004","38.07","0.008","90","","121.73","0.03","90","","30235","14","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C276 H264 Cl6 N50 O42 -","- C276 H264 Cl6 N50 O42 -","- C1104 H1056 Cl24 N200 O168 -","4","0.5","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.54178","CuKα","","0.1533","0.1183","","","0.349","0.3827","","","","","","1.408","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118225","30.056","0.006","37.668","0.008","16.799","0.003","90","","90","","90","","19019","7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C194.5 H179 Cl6 N34 O36 -","- C195 H179 Cl6 N34 O36 -","- C780 H716 Cl24 N136 O144 -","4","1","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","0.876","","","0.0801","0.0773","","","0.2091","0.212","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118226","9.72","0.0003","15.2412","0.0006","15.4722","0.0005","77.063","0.002","75.369","0.002","85.914","0.002","2161.24","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H35 Cl2 Cr N5 O2 -","- C16 H35 Cl2 Cr N5 O2 -","- C64 H140 Cl8 Cr4 N20 O8 -","4","2","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","A Chromium(III)-Superoxo Complex in Oxygen Atom Transfer Reactions as a Chemical Model of Cysteine Dioxygenase","Journal of the American Chemical Society","2012","134","","11112","11115","10.1021/ja304357z","","","0.71073","MoKα","","0.0877","0.0518","","","0.1217","0.1409","","","","","","1.026","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118227","6.3826","0.0002","17.8095","0.0007","14.7575","0.0005","90","","99.669","0.004","90","","1653.67","0.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 S -","- C17 H25 N O2 S -","- C68 H100 N4 O8 S4 -","4","2","","Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu","Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents","Journal of the American Chemical Society","2012","134","","11124","11127","10.1021/ja304848n","","","0.71073","MoKα","","0.0545","0.0407","","","0.0831","0.0912","","","","","","1.053","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118228","5.9312","0.0002","8.3499","0.0005","25.2556","0.0013","90","","96.592","0.004","90","","1242.51","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O3 S -","- C28 H33 N O3 S -","- C56 H66 N2 O6 S2 -","2","1","","Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu","Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents","Journal of the American Chemical Society","2012","134","","11124","11127","10.1021/ja304848n","","","1.54184","CuKα","","0.0599","0.0496","","","0.1336","0.1468","","","","","","1.018","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118229","9.846","0.002","11.129","0.002","11.284","0.002","66.923","0.003","69.839","0.003","74.74","0.004","1056","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Co N5 O -","- C24 H30 Co N5 O -","- C48 H60 Co2 N10 O2 -","2","1","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0468","0.036","","","0.0758","0.0806","","","","","","1.035","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118230","29.641","0.005","22.626","0.004","10.566","0.002","90","","90","","90","","7086","2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C78 H102 Co3 N13 O2 -","- C78 H102 Co3 N13 O2 -","- C312 H408 Co12 N52 O8 -","4","0.5","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0375","0.0303","","","0.0712","0.0808","","","","","","1.117","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4118231","7.9786","0.0007","12.0151","0.0011","14.8237","0.0013","90","","104.233","0.001","90","","1377.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Co2 N8 O4 -","- C26 H34 Co2 N8 O4 -","- C52 H68 Co4 N16 O8 -","2","0.5","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0275","0.0231","","","0.0595","0.0622","","","","","","1.043","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118232","25.396","0.006","7.751","0.002","27.382","0.007","90","","111.766","0.004","90","","5006","2","153","2","153","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H27 Br N2 O -","- C31 H27 Br N2 O -","- C248 H216 Br8 N16 O8 -","8","2","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.1465","0.0813","","","0.1653","0.1966","","","","","","0.995","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118233","6.3044","0.0012","9.775","0.002","16.431","0.003","90","","90","","90","","1012.6","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Br O2 -","- C9 H15 Br O2 -","- C36 H60 Br4 O8 -","4","1","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.0394","0.0354","","","0.083","0.0852","","","","","","1.068","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118234","7.2049","0.0012","5.3099","0.001","9.434","0.002","90","","92.18","0.004","90","","360.66","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O2 -","- C7 H7 Br O2 -","- C14 H14 Br2 O4 -","2","1","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.0187","0.0186","","","0.0496","0.0497","","","","","","1.067","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118235","11.9269","0.0006","18.0042","0.001","17.4685","0.0009","90","","107.486","0.001","90","","3577.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N O3 P Pd -","- C38 H54 N O3 P Pd -","- C152 H216 N4 O12 P4 Pd4 -","4","1","","Ekaterina V. Vinogradova; Brett P. Fors; Stephen L. Buchwald","Palladium-Catalyzed Cross-Coupling of Aryl Chlorides and Triflates with Sodium Cyanate: A Practical Synthesis of Unsymmetrical Ureas","Journal of the American Chemical Society","2012","134","","11132","11135","10.1021/ja305212v","","","0.71073","MoKα","","0.0293","0.0254","","","0.0652","0.0678","","","","","","1.075","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118236","8.30167","0.00016","8.30167","0.00016","3.84632","0.00009","90","","90","","90","","265.08","0.01","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba0.8 Fe O2 Sr0.2 -","- Ba0.8 Fe O1.99975 Sr0.2 -","- Ba3.2 Fe4 O7.999 Sr0.8 -","4","0.25","","Takafumi Yamamoto; Yoji Kobayashi; Naoaki Hayashi; Cédric Tassel; Takashi Saito; Shoji Yamanaka; Mikio Takano; Kenji Ohoyama; Yuichi Shimakawa; Kazuyoshi Yoshimura; Hiroshi Kageyama","(Sr1-xBax)FeO2 (0.4 <=x<= 1): A New Oxygen-Deficient Perovskite Structure","Journal of the American Chemical Society","2012","134","","11444","11454","10.1021/ja3007403","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118237","19.205","0.0004","23.3121","0.0005","20.2621","0.0004","90","","90.498","0.002","90","","9071.2","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C190 H198 F2 N40 O28 -","- C190 H198 F2 N40 O28 -","- C380 H396 F4 N80 O56 -","2","1","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54178","CuKα","","0.1108","0.0857","","","0.2305","0.2468","","","","","","1.021","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118238","26.5692","0.0008","18.3016","0.0006","20.3207","0.0005","90","","90","","90","","9881.1","0.5","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C170 H186 F2 N32 O24 -","- C170 H186 F2 N32 O24 -","- C340 H372 F4 N64 O48 -","2","0.5","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","CUKα","","0.0945","0.0658","","","0.1792","0.1951","","","","","","0.966","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118239","47.4778","0.0013","47.4778","0.0013","17.0113","0.0006","90","","90","","120","","33208.5","1.7","100","","100","","","","","","","","","6","P 65","P 65","170","","","","- C177 H188 Cl3 F3 N32 O25 -","- C177 H188 Cl3 F3 N32 O25 -","- C1062 H1128 Cl18 F18 N192 O150 -","6","1","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","CuKα","","0.0707","0.0479","","","0.1089","0.1143","","","","","","0.89","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118240","22.4604","0.0006","25.1013","0.0006","35.8922","0.001","90","","90","","90","","20235.5","0.9","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4054-s12","","- C88 H79 Cl3 N16 O13 -","- C88 H79 Cl3 N16 O13 -","- C704 H632 Cl24 N128 O104 -","8","2","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","MoKα","","0.0573","0.0482","","","0.1271","0.1313","","","","","","0.953","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4118241","3.9995","0.00004","3.9995","","7.80056","0.0002","90","","90","","90","","124.778","0.003","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Mn0.1 Ni0.9 -","- Ca Ge H Mn0.1 Ni0.9 -","- Ca2 Ge2 H2 Mn0.2 Ni1.8 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118242","4.00062","0.00005","4.00062","","7.77622","0.00009","90","","90","","90","","124.458","0.002","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Mn0.05 Ni0.95 -","- Ca Ge H Mn0.05 Ni0.95 -","- Ca2 Ge2 H2 Mn0.1 Ni1.9 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118243","3.999502","0.000034","3.999502","","7.75966","0.00017","90","","90","","90","","124.124","0.003","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ca D Ge Ni -","- Ca D Ge Ni -","- Ca2 D2 Ge2 Ni2 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118244","4.00379","0.00004","4.00379","","7.76501","0.0002","90","","90","","90","","124.476","0.003","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Ni -","- Ca Ge H Ni -","- Ca2 Ge2 H2 Ni2 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118245","11.5987","0.0018","10.7814","0.0016","23.414","0.004","90","","90","","90","","2927.9","0.8","273","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H22 N O2 P -","- C12 H22 N O2 P -","- C96 H176 N8 O16 P8 -","8","1","","Nicole L. Dunn; Minji Ha; Alexander T. Radosevich","Main Group Redox Catalysis: Reversible PIII/PV Redox Cycling at a Phosphorus Platform","Journal of the American Chemical Society","2012","134","","11330","11333","10.1021/ja302963p","","","0.71073","MoKα","","0.0742","0.0588","","","0.1305","0.1382","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118246","10.4339","0.0001","10.3572","0.0002","18.9283","0.0003","90","","90.16","0.001","90","","2045.5","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 B Cl N O5 -","- C18 H27 B Cl N O5 -","- C72 H108 B4 Cl4 N4 O20 -","4","1","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","1.54178","CuKα","","0.0483","0.0422","","","0.1083","0.112","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118247","31.1629","0.0007","9.4125","0.0002","13.7729","0.0002","90","","102.403","0.001","90","","3945.59","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 B Br N O4 -","- C17 H25 B Br N O4 -","- C136 H200 B8 Br8 N8 O32 -","8","2","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","0.71073","MoKα","","0.1057","0.0603","","","0.1543","0.1865","","","","","","0.981","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118248","10.699","0.0011","18.0954","0.0019","20.924","0.002","90","","90","","90","","4050.9","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H25 B F3 N O4 -","- C18 H25 B F3 N O4 -","- C144 H200 B8 F24 N8 O32 -","8","1","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","0.71073","MoKα","","0.0659","0.0424","","","0.0942","0.1051","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118249","9.5289","0.0005","35.4913","0.0019","13.1869","0.0008","90","","91.204","0.003","90","","4458.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H31 B N2 O6 -","- C20 H31 B N2 O6 -","- C160 H248 B8 N16 O48 -","8","4","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","1.54178","CuKα","","0.0999","0.0782","","","0.2242","0.2409","","","","","","1.036","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118250","28.3485","0.0009","14.5614","0.0005","27.5959","0.0013","90","","120.534","0.001","90","","9811.7","0.7","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H140 O44 Ti17 -","- C60 H140 O44 Ti17 -","- C240 H560 O176 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0644","0.0439","","","0.1079","0.1315","","","","","","1.107","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118251","24.4999","0.0014","25.7959","0.0014","16.7621","0.0009","90","","90","","90","","10593.6","1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C68 H140 O48 Ti17 -","- C68 H140 O48 Ti17 -","- C272 H560 O192 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0597","0.0446","","","0.1097","0.1303","","","","","","1.149","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118252","15.698","0.0006","17.3278","0.0006","26.4054","0.001","90.276","0.001","98.604","0.001","113.181","0.001","6512.3","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H162 Cl2 N4 O48 Ti17 -","- C93 H162 Cl2 N4 O48 Ti17 -","- C186 H324 Cl4 N8 O96 Ti34 -","2","1","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1343","0.0751","","","0.177","0.2154","","","","","","1.03","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118253","29.948","0.002","13.7625","0.001","32.938","0.003","90","","104.365","0.001","90","","13151.3","1.8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H178 N2 O53 Ti17 -","- C86 H154 N2 O50 Ti17 -","- C344 H616 N8 O200 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0883","0.0618","","","0.1591","0.1727","","","","","","1.056","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118254","39.0484","0.0015","39.0484","0.0015","13.8013","0.0006","90","","90","","90","","21043.9","1.5","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C84 H148 N4 O48 Ti17 -","- C84 H148 N4 O48 Ti17 -","- C336 H592 N16 O192 Ti68 -","4","0.25","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1083","0.0584","","","0.1493","0.168","","","","","","0.959","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118255","14.6316","0.001","31.498","0.002","15.8161","0.0014","90","","117.548","0.002","90","","6462.7","0.8","90","2","90","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C96 H166 N6 O48 Ti17 -","- C96 H166 N6 O48 Ti17 -","- C192 H332 N12 O96 Ti34 -","2","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0995","0.058","","","0.1319","0.1549","","","","","","1.058","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118256","27.857","0.003","27.857","0.003","13.2097","0.0012","90","","90","","90","","10250.9","1.8","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H128 N4 O48 Ti17 -","- C72 H128 N4 O48 Ti17 -","- C288 H512 N16 O192 Ti68 -","4","0.25","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0777","0.0475","","","0.1133","0.138","","","","","","1.124","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118257","38.622","0.003","14.0053","0.0008","30.3354","0.0019","90","","97.022","0.002","90","","16285.7","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H194 N4 O56 Ti17 -","- C134 H194 N4 O56 Ti17 -","- C536 H776 N16 O224 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0657","0.0386","","","0.0913","0.1064","","","","","","1.056","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118258","29.808","0.001","14.0777","0.0005","27.9437","0.001","90","","103.594","0.001","90","","11397.5","0.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H140 O46 Ti17 -","- C72 H140 O46 Ti17 -","- C288 H560 O184 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1205","0.063","","","0.1717","0.2385","","","","","","1.14","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118259","14.2444","0.0006","19.1492","0.0008","26.1335","0.001","75.139","0.001","84.942","0.001","77.348","0.001","6718.8","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H182 O60 Ti18 -","- C78 H158 O57 Ti18 -","- C156 H316 O114 Ti36 -","2","1","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0943","0.0569","","","0.14","0.1544","","","","","","1.031","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118260","15.1566","0.0009","20.9363","0.0013","23.8427","0.0014","104.868","0.002","103.544","0.002","99.587","0.002","6899.3","0.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H342 N6 O92 Ti34 -","- C144 H270 N6 O92 Ti34 -","- C144 H270 N6 O92 Ti34 -","1","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1216","0.0674","","","0.1603","0.1789","","","","","","0.95","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118261","14.4526","0.0007","26.2634","0.0015","13.1445","0.0008","90","","106.054","0.004","90","","4794.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 F12 N11 O4 P2 -","- C42 H49 F12 N11 O4 P2 -","- C168 H196 F48 N44 O16 P8 -","4","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54178","CuKα","","0.0853","0.0634","","","0.1685","0.185","","","","","","1.04","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118262","7.1653","0.0009","11.657","0.0013","35.452","0.004","85.531","0.006","88.138","0.006","74.956","0.006","2850.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H68 N12 Ni O11 S4 -","- C52 H56 N12 Ni O8 S4 -","- C104 H112 N24 Ni2 O16 S8 -","2","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","0.71073","MoKα","","0.1425","0.0862","","","0.2494","0.2789","","","","","","1.167","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118263","18.8272","0.0004","20.3121","0.0004","56.4665","0.001","90","","95.294","0.001","90","","21501.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C186 H215 F72 N37 O16 P12 -","- C186 H215 F72 N37 O16 P12 -","- C744 H860 F288 N148 O64 P48 -","4","0.5","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54178","CuKα","","0.1407","0.1332","","","0.4255","0.4325","","","","","","1.982","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118264","32.7648","0.0017","11.0431","0.0006","33.1123","0.0016","90","","117.905","0.003","90","","10587.8","1","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 F36 N12 O6 P6 -","- C78 H84 F30 N12 O6 P5 -","- C312 H336 F120 N48 O24 P20 -","4","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54184","CuKα","","0.1495","0.1045","","","0.2938","0.3165","","","","","","1.091","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118265","12.7633","0.0001","10.8231","0.0001","12.8029","0.0002","90","","118.39","0.002","90","","1555.87","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 Mn2 O4 -","- Cs3 Mn2 O4 -","- Cs24 Mn16 O32 -","8","2","","Jürgen Nuss; Maria A. Señaris-Rodriguez; Prasad L. V. K. Dasari; Moritz Stahl; Martin Jansen","Synthesis, Crystal Structure and Magnetic Properties of the New One-Dimensional Manganate Cs3Mn2O4","Journal of the American Chemical Society","2012","134","","11734","11739","10.1021/ja303889g","","x-ray","0.71073","MoKα","","0.0426","0.0407","","","0.1199","0.1209","","","","","","1.098","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118266","15.9265","0.0003","13.5014","0.0003","32.9014","0.001","90","","91.195","0.002","90","","7073.3","0.3","100","","100","","","","","","","","MAT ETH Zurich","5","P 1 21/c 1","-P 2ybc","14","","","","- C188 H128 Cl8 N12 O5 -","- C188 H128 Cl8 N12 O5 -","- C376 H256 Cl16 N24 O10 -","2","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.2202","0.1394","","","0.2974","0.3301","","","","","","1.594","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118267","8.8876","0.001","16.169","0.002","17.719","0.002","109.431","0.005","95.06","0.004","94.026","0.005","2378.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H45 Cl3 N4 -","- C63 H45 Cl3 N4 -","- C126 H90 Cl6 N8 -","2","1","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.1877","0.0798","","","0.1846","0.2371","","","","","","1.012","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118268","22.5095","0.0008","29.458","0.002","16.5367","0.0008","90","","131.595","0.002","90","","8200.4","0.8","100","","100","","","","","","","","LOC ETH Zurich","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H64 Cl12 N6 O2 -","- C96 H64 Cl12 N6 O2 -","- C384 H256 Cl48 N24 O8 -","4","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.2157","0.1082","","","0.2309","0.2884","","","","","","1.26","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118269","22.3446","0.0008","29.3622","0.0016","16.6429","0.0006","90","","131.806","0.002","90","","8139.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H68 Cl28 N12 O5 -","- C104 Cl8 N6 O2 -","- C416 Cl32 N24 O8 -","4","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.1531","0.1203","","","0.391","0.4261","","","","","","1.756","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118270","13.5218","0.0008","18.4068","0.0011","20.5993","0.0012","113.1","0.003","96.916","0.003","104.268","0.003","4432.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H92 Mo14 N4 O51 S14 -","- C24 H24 Mo14 N4 O51 S14 -","- C48 H48 Mo28 N8 O102 S28 -","2","1","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0579","0.0371","","","0.0872","0.0989","","","","","","1.026","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118271","21.6956","0.0011","9.251","0.0005","22.0442","0.0012","90","","107.579","0.002","90","","4217.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H40 K8 Mo16 O60 S12 -","- C8 K8 Mo16 O60 S12 -","- C16 K16 Mo32 O120 S24 -","2","0.5","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0755","0.0572","","","0.1356","0.1458","","","","","","1.102","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118272","16.647","0.0005","16.647","0.0005","41.4457","0.0015","90","","90","","120","","9946.8","0.6","150","2","150","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C12 H51 K Mo10 N2 O36 S8 -","- C12 K Mo10 N2 O36 S8 -","- C72 K6 Mo60 N12 O216 S48 -","6","0.5","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0709","0.0504","","","0.13","0.1464","","","","","","1.082","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118273","14.3076","0.0006","11.5924","0.0004","20.845","0.001","90","","133.274","0.003","90","","2517.2","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H16 K4 Mo10 O39 S8 -","- C4 K4 Mo10 O39 S8 -","- C8 K8 Mo20 O78 S16 -","2","1","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0367","0.0349","","","0.0773","0.0794","","","","","","1.153","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118274","9.0957","0.0004","10.3988","0.0004","11.9486","0.0005","89.195","0.003","67.717","0.003","77.097","0.003","1016.22","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H74 Ir2 Si4 -","- C32 H74 Ir2 Si4 -","- C32 H74 Ir2 Si4 -","1","0.5","","Chen Cheng; Maurice Brookhart","Iridium-Catalyzed Reduction of Secondary Amides to Secondary Amines and Imines by Diethylsilane","Journal of the American Chemical Society","2012","134","","11304","11307","10.1021/ja304547s","","","1.54184","CuKα","","0.0552","0.0498","","","0.1286","0.1318","","","","","","1.062","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118275","8.4863","0.0009","10.2943","0.0008","15.4841","0.0014","90","","90","","90","","1352.7","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Br N O2 -","- C12 H20 Br N O2 -","- C48 H80 Br4 N4 O8 -","4","1","","Bryony S. Dyson; Jonathan W. Burton; Te-ik Sohn; Byungsook Kim; Hoon Bae; Deukjoon Kim","Total Synthesis and Structure Confirmation of Elatenyne: Success of Computational Methods for NMR Prediction with Highly Flexible Diastereomers","Journal of the American Chemical Society","2012","134","","11781","11790","10.1021/ja304554e","","","0.71075","MoKα","","","0.0323","","","","0.0881","","","","","","1.089","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118276","8.5368","0.0008","9.0616","0.0009","13.5135","0.0014","98.953","0.006","107.827","0.005","102.345","0.005","944.29","0.17","173","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","2","","Youn, So Won; Kim, Byung Seok; Jagdale, Arun R.","Pd-Catalyzed Sequential C‒C Bond Formation and Cleavage: Evidence for an Unexpected Generation of Arylpalladium(II) Species","Journal of the American Chemical Society","2012","134","28","11308","11311","10.1021/ja304616q","","","0.71073","MoKα","","0.0636","0.0495","","","0.1512","0.1616","","","","","","1.067","","","","has coordinates","210878","2020-10-21","18:00:00",""
"4118277","12.1461","0.0018","13.876","0.002","17.131","0.003","67.041","0.008","72.676","0.009","67.039","0.008","2411.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","iron(II) TBC triflate","","","- C46 H57 F6 Fe N7 O6 S2 -","- C46 H57 F6 Fe N7 O6 S2 -","- C92 H114 F12 Fe2 N14 O12 S4 -","2","1","","Samuel A. Wilson; Junying Chen; Seungwoo Hong; Yong-Min Lee; Martin Clémancey; Ricardo Garcia-Serres; Takashi Nomura; Takashi Ogura; Jean-Marc Latour; Britt Hedman; Keith O. Hodgson; Wonwoo Nam; Edward I. Solomon","[FeIV=O(TBC)(CH3CN)]2+: Comparative Reactivity of Iron(IV)-Oxo Species with Constrained Equatorial Cyclam Ligation","Journal of the American Chemical Society","2012","134","","11791","11806","10.1021/ja3046298","","","0.71073","MoKα","","0.2378","0.0803","","","0.205","0.3209","","","","","","1.15","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118278","7.3854","0.0008","5.7613","0.0006","26.815","0.003","90","","92.526","0.005","90","","1139.9","0.2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Br N2 O6 S -","- C24 H21 Br N2 O6 S -","- C48 H42 Br2 N4 O12 S2 -","2","1","","Nathan T. Jui; Jeffrey A. O. Garber; Fernanda Gadini Finelli; David W. C. MacMillan","Enantioselective Organo-SOMO Cycloadditions: A Catalytic Approach to Complex Pyrrolidines from Olefins and Aldehydes","Journal of the American Chemical Society","2012","134","","11400","11403","10.1021/ja305076b","","","0.71073","MoKα","","0.0239","0.023","","","0.0575","0.0578","","","","","","1.043","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118279","10.1987","0.0005","6.0777","0.0003","16.6677","0.0008","90","","99.679","0.003","90","","1018.43","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C48 H42 Cl2 N4 O2 -","2","1","","Barry M. Trost; Tom M. Lam","Development of Diamidophosphite Ligands and Their Application to the Palladium-Catalyzed Vinyl-Substituted Trimethylenemethane Asymmetric [3 + 2] Cycloaddition","Journal of the American Chemical Society","2012","134","","11319","11321","10.1021/ja305717r","","","1.54178","CuKα","","0.0365","0.034","","","0.085","0.0869","","","","","","1.041","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118280","7.0555","0.0002","17.1622","0.0006","13.3154","0.0004","90","","101.11","0.002","90","","1582.12","0.09","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 F4 N2 O2 -","- C15 H18 F4 N2 O2 -","- C60 H72 F16 N8 O8 -","4","2","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0644","0.0492","","","0.1094","0.1179","","","","","","1.066","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118281","5.5639","0.0002","16.0755","0.0005","26.6196","0.0009","90","","90","","90","","2380.92","0.14","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F4 N2 O4 -","- C20 H24 F4 N2 O4 -","- C80 H96 F16 N8 O16 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0905","0.0833","","","0.2438","0.2538","","","","","","1.118","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118282","7.415","0.006","18.273","0.016","22.36","0.019","90","","90","","90","","3030","4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C15 H16 F4 N2 O3 -","- C15 H16 F4 N2 O3 -","- C120 H128 F32 N16 O24 -","8","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.6889","Synchrotron","","0.0846","0.0682","","0.1705","0.1575","0.1705","","","","","","0.9169","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118283","10.1978","0.0004","24.1992","0.0013","17.2357","0.0005","90","","107.207","0.001","90","","4063","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F4 N2 O4 -","- C19 H24 F4 N2 O4 -","- C152 H192 F32 N16 O32 -","8","4","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.6889","Synchrotron","","0.0719","0.055","","0.1485","0.1245","0.1485","","","","","","0.9771","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118284","5.5348","0.0001","15.9379","0.0003","26.45","0.0006","90","","90","","90","","2333.24","0.08","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F5 N2 O5 -","- C21 H27 F5 N2 O5 -","- C84 H108 F20 N8 O20 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0827","0.073","","","0.2019","0.2151","","","","","","1.025","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118285","17.1127","0.0006","9.514","0.0004","10.5373","0.0004","90","","101.631","0.002","90","","1680.35","0.11","240","2","240","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 F5 N2 O2.5 -","- C15 H18 F5 N2 O2.5 -","- C60 H72 F20 N8 O10 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0484","0.0429","","","0.11","0.1162","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118286","15.8014","0.0006","10.5452","0.0003","9.517","0.0003","90","","102.319","0.004","90","","1549.29","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F2 N O -","- C8 H7 F2 N O -","- C64 H56 F16 N8 O8 -","8","2","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","1.5418","CuKα","","0.0474","0.0403","","0.1057","0.0997","0.1057","","","","","","0.9835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118287","14.856","0.0008","14.856","0.0008","14.856","0.0008","90","","90","","90","","3278.7","0.3","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","lanthanum iron borocarbide","","","- C34 Al0.34 B24.8 Fe13.86 La33 -","- C34 Al0.344 B24.8 Fe13.856 La33 -","- C68 Al0.688 B49.6 Fe27.712 La66 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0287","0.0184","","","0.0326","0.0349","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118288","14.6173","0.0011","14.6173","0.0011","14.6173","0.0011","90","","90","","90","","3123.2","0.4","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","Cerium iron borocarbide","","","- C34 Al B25 Ce33 Fe13 -","- C34 Al1.092 B24.79 Ce33 Fe13.118 -","- C68 Al2.184 B49.58 Ce66 Fe26.236 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0186","0.0155","","","0.035","0.0354","","","","","","1.24","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118289","14.6148","0.0011","14.6148","0.0011","14.6148","0.0011","90","","90","","90","","3121.6","0.4","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","cerium manganese borocarbide","","","- C34 Al0.08 B24.92 Ce33 Mn14 -","- C34 Al0.08 B24.92 Ce33 Mn14 -","- C68 Al0.16 B49.84 Ce66 Mn28 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0177","0.0155","","","0.0345","0.0349","","","","","","1.247","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118290","14.246","0.008","14.246","0.008","14.246","0.008","90","","90","","90","","2891","3","150","2","150","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","cerium iron borocarbide","","","- C34 B18 Ce33 Fe13 -","- C34 B18 Ce33 Fe13 -","- C68 B36 Ce66 Fe26 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0143","0.0142","","","0.0285","0.0285","","","","","","1.36","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118291","14.3881","0.0009","14.3881","0.0009","14.3881","0.0009","90","","90","","90","","2978.6","0.3","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","praseodymium iron borocarbide","","","- C34 Al0.04 B18 Fe12.96 Pr33 -","- C34 Al0.04 B18 Fe12.96 Pr33 -","- C68 Al0.08 B36 Fe25.92 Pr66 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0137","0.0127","","","0.0271","0.0273","","","","","","1.233","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118292","7.6145","0.0006","7.9079","0.0007","9.6513","0.0008","99.938","0.002","98.057","0.001","106.992","0.002","536.12","0.08","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","ubsc11","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","2","","Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler","Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans","Journal of the American Chemical Society","2012","134","","12149","12156","10.1021/ja3034075","","","0.71073","MoKα","","0.1071","0.0539","","","0.1298","0.1569","","","","","","0.972","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118293","19.425","0.003","10.67","0.0015","25.538","0.004","90","","110.452","0.003","90","","4959.5","1.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ubsc12","","","- C31 H26 Cl2 O -","- C31 H26 Cl2 O -","- C248 H208 Cl16 O8 -","8","2","","Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler","Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans","Journal of the American Chemical Society","2012","134","","12149","12156","10.1021/ja3034075","","","0.71073","MoKα","","0.0941","0.0491","","","0.1002","0.1187","","","","","","1.013","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118294","6.979","0.003","9.779","0.005","21.672","0.005","90","","90","","90","","1479.1","1","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H19 Cl2 N5 O3.003 Ru S1.001 -","- C20 H76 Cl8 N20 O12.012 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0941","0.0538","","","","0.132","","","","","","0.836","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118295","9.798","0.008","7.009","0.006","21.613","0.018","90","","90","","90","","1484","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1269","0.0678","","","","0.1557","","","","","","0.742","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118296","9.803","0.009","7.029","0.006","21.595","0.019","90","","90","","90","","1488","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S -","- C20 H68 Cl8 N20 O11.996 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1375","0.0739","","","","0.188","","","","","","0.786","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118297","7.032","0.007","9.795","0.009","21.58","0.02","90","","90","","90","","1486","2","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1401","0.0816","","","","0.2344","","","","","","0.875","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118298","9.816","0.009","7.052","0.007","21.62","0.019","90","","90","","90","","1497","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S -","- C20 H68 Cl8 N20 O11.996 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1566","0.135","","","","0.4371","","","","","","1.417","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118299","7.073","0.015","9.7","0.02","21.51","0.05","90","","90","","90","","1476","6","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S0.999 -","- C20 H68 Cl8 N20 O11.996 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1892","0.0983","","","","0.3094","","","","","","0.778","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118300","7.077","0.013","9.61","0.02","21.44","0.04","90","","90","","90","","1458","5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.998 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.2414","0.207","","","","0.5851","","","","","","1.764","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118301","6.938","0.0009","9.6437","0.0013","21.505","0.003","90","","90","","90","","1438.9","0.3","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H19 Cl2 N5 O3 Ru S -","- C20 H76 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0288","0.0278","","","","0.0615","","","","","","1.167","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118302","6.8533","0.0018","9.761","0.003","23.472","0.006","90","","90","","90","","1570.2","0.8","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H18 Cl3 N5 O3 Ru S -","- C20 H72 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0513","0.0481","","","","0.1005","","","","","","1.134","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118303","7.13","0.002","10.625","0.003","9.959","0.003","90","","91.675","0.003","90","","754.1","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H18 Cl3 N5 O3 Ru S -","- C10 H36 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.047","0.0461","","","","0.118","","","","","","1.061","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118304","6.885","0.002","9.756","0.003","23.372","0.008","90","","90","","90","","1569.9","0.9","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C20 H64 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0567","0.0505","","","","0.1139","","","","","","1.159","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118305","7.159","0.004","10.674","0.006","9.962","0.006","90","","91.604","0.009","90","","760.9","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0509","0.0488","","","","0.1068","","","","","","1.078","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118306","6.977","0.004","9.745","0.005","21.588","0.011","90","","90","","90","","1467.8","1.4","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0841","0.0811","","","","0.1543","","","","","","1.148","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118307","6.992","0.004","9.735","0.005","21.55","0.011","90","","90","","90","","1466.8","1.4","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.965 Ru S0.982 -","- C20 H68 Cl8 N20 O11.86 Ru4 S3.928 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0821","0.067","","","","0.1392","","","","","","1.11","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118308","7","0.003","9.741","0.004","21.53","0.004","90","","90","","90","","1468.1","0.9","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0815","0.0657","","","","0.1387","","","","","","1.073","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118309","7.003","0.003","9.734","0.004","21.493","0.008","90","","90","","90","","1465.1","1","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0819","0.0681","","","","0.1535","","","","","","1.076","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118310","7.024","0.003","9.74","0.004","21.473","0.01","90","","90","","90","","1469","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.997 Ru S0.998 -","- C20 H68 Cl8 N20 O11.988 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0819","0.0616","","","","0.1633","","","","","","1.112","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118311","7.027","0.003","9.736","0.004","21.428","0.009","90","","90","","90","","1466","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0839","0.0622","","","","0.1623","","","","","","1.118","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118312","7.034","0.003","9.73","0.004","21.396","0.009","90","","90","","90","","1464.4","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.085","0.0643","","","","0.1742","","","","","","1.086","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118313","7.037","0.003","9.724","0.004","21.354","0.01","90","","90","","90","","1461.2","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0831","0.0612","","","","0.1721","","","","","","1.121","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118314","7.059","0.004","9.727","0.005","21.3","0.011","90","","90","","90","","1462.5","1.3","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.997 Ru S0.998 -","- C20 H68 Cl8 N20 O11.988 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0854","0.061","","","","0.1821","","","","","","1.064","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118315","7.072","0.004","9.727","0.005","21.256","0.012","90","","90","","90","","1462.2","1.4","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0846","0.0573","","","","0.1563","","","","","","0.986","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118316","7.102","0.005","9.761","0.006","21.306","0.014","90","","90","","90","","1477","1.7","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0855","0.0566","","","","0.1542","","","","","","0.966","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118317","7.088","0.005","9.743","0.006","21.231","0.014","90","","90","","90","","1466.2","1.7","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0969","0.0623","","","","0.1743","","","","","","0.873","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118318","7.047","0.011","9.768","0.016","21.49","0.03","90","","90","","90","","1479","4","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1512","0.1272","","","","0.4126","","","","","","1.512","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118319","7.06","0.004","9.707","0.006","21.359","0.013","90","","90","","90","","1463.8","1.5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.07","0.0426","","","","0.0979","","","","","","0.766","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118320","7.054","0.005","9.711","0.006","21.428","0.014","90","","90","","90","","1467.8","1.7","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0837","0.0526","","","","0.1487","","","","","","0.914","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118321","7.032","0.004","9.695","0.006","21.42","0.013","90","","90","","90","","1460.3","1.5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0702","0.0508","","","","0.124","","","","","","0.942","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118322","7.034","0.005","9.7","0.006","21.467","0.014","90","","90","","90","","1464.7","1.7","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0751","0.0532","","","","0.1356","","","","","","0.919","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118323","6.909","0.005","9.769","0.006","23.346","0.016","90","","90","","90","","1575.7","1.8","150","2","150","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C20 H64 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0692","0.0513","","","","0.1165","","","","","","0.968","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118324","6.952","0.002","9.772","0.003","23.295","0.007","90","","90","","90","","1582.5","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0662","0.0525","","","","0.1267","","","","","","1.083","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118325","6.915","0.002","9.773","0.003","23.306","0.007","90","","90","","90","","1575","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0667","0.0505","","","","0.1215","","","","","","1.041","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118326","6.9441","0.0019","9.774","0.003","23.314","0.006","90","","90","","90","","1582.4","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.066","0.0508","","","","0.1256","","","","","","1.068","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118327","7.1389","0.0017","10.738","0.003","9.936","0.002","90","","90.921","0.003","90","","761.6","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0472","0.0374","","","","0.0744","","","","","","0.895","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118328","7.146","0.002","10.78","0.004","9.935","0.003","90","","90.978","0.004","90","","765.2","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0473","0.0345","","","","0.0728","","","","","","0.827","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118329","7.147","0.002","10.756","0.003","9.944","0.003","90","","91.089","0.004","90","","764.3","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0457","0.0364","","","","0.0752","","","","","","0.895","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118330","7.15","0.002","10.74","0.003","9.951","0.003","90","","91.177","0.004","90","","764","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0444","0.039","","","","0.0837","","","","","","1.01","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118331","7.151","0.002","10.73","0.003","9.954","0.003","90","","91.143","0.004","90","","763.6","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0465","0.0351","","","","0.1159","","","","","","0.869","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118332","7.152","0.002","10.712","0.003","9.959","0.003","90","","91.2","0.004","90","","762.8","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0422","0.0382","","","","0.0845","","","","","","1.044","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118333","7.155","0.002","10.711","0.003","9.96","0.003","90","","91.25","0.004","90","","763.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0429","0.0359","","","","0.0733","","","","","","0.814","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118334","7.154","0.002","10.698","0.003","9.966","0.003","90","","90","","90","","762.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0421","0.0363","","","","0.0747","","","","","","0.932","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118335","7.157","0.002","10.694","0.003","9.972","0.003","90","","91.327","0.005","90","","763","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0422","0.0384","","","","0.0794","","","","","","0.983","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118336","14.612","0.005","11.033","0.005","33.094","0.005","90","0.005","99.129","0.005","90","0.005","5268","3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H14 La2 O2 S4 -","- C94 H14 La2 O2 S4 -","- C376 H56 La8 O8 S16 -","4","1","","Lai Feng; Marc Rudolf; Silke Wolfrum; Anna Troeger; Zdenek Slanina; Takeshi Akasaka; Shigeru Nagase; Nazario Martín; Tayebeh Ameri; Christoph J. Brabec; Dirk M. Guldi","A Paradigmatic Change: Linking Fullerenes to Electron Acceptors","Journal of the American Chemical Society","2012","134","","12190","12197","10.1021/ja3039695","","","0.71069","MoKα","","0.0936","0.0791","","","0.2188","0.2335","","","","","","1.08","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118337","8.076","0.0003","27.4543","0.001","9.4471","0.0003","90","","90.665","0.004","90","","2094.48","0.13","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N2 O2 -","- C23 H32 N2 O2 -","- C92 H128 N8 O8 -","4","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.0891","0.0667","","","0.1762","0.1991","","","","","","1.037","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118338","8.1234","0.0004","11.0246","0.0006","11.9645","0.0007","113.415","0.005","100.663","0.004","98.461","0.004","936.92","0.1","145","","145","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.0676","0.0455","","","0.1055","0.1186","","","","","","1.035","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118339","8.111","0.0003","27.4246","0.0009","9.4351","0.0004","90","","90.6","0.004","90","","2098.64","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N2 O2 -","- C23 H32 N2 O2 -","- C92 H128 N8 O8 -","4","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.1224","0.0782","","","0.209","0.2416","","","","","","1.05","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118340","26.6846","0.0004","8.3813","0.0001","6.9691","0.0001","90","","90.241","0.001","90","","1558.64","0.04","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Maitane Fernández; Uxue Uria; Jose L. Vicario; Efraím Reyes; Luisa Carrillo","Enantioselective Conjugate Addition of Donor-Acceptor Hydrazones to α,β-Unsaturated Aldehydes through Formal Diaza-Ene Reaction: Access to 1,4-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","11872","11875","10.1021/ja3041042","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.1019","0.1034","","","","","","1.057","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118341","12.419","0.002","13.116","0.002","15.871","0.003","66.443","0.004","88.215","0.004","71.224","0.005","2229.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H72 F14 N6 O10 S2 Si2 -","- C26 H68 F8 N6 O8 S2 Si -","- C52 H136 F16 N12 O16 S4 Si2 -","2","1","","Md. Alamgir Hossain; Musabbir A. Saeed; Avijit Pramanik; Bryan M. Wong; Syed A. Haque; Douglas R. Powell","A Self-Assembled Fluoride-Water Cyclic Cluster of [F(H2O)]44- in a Molecular Box","Journal of the American Chemical Society","2012","134","","11892","11895","10.1021/ja3043855","","","0.71073","MoKα","","0.0926","0.0669","","","0.17","0.1837","","","","","","1.002","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4118342","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118343","17.1241","0.0006","20.2806","0.0007","23.2979","0.0009","89.559","0.002","89.23","0.002","88.773","0.002","8088.3","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C184 H140 Cl8 N12 O24 Pd12 -","- C184 H140 Cl8 N12 O24 Pd12 -","- C368 H280 Cl16 N24 O48 Pd24 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0728","0.0475","","","0.0956","0.1069","","","","","","1.039","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118344","10.0855","0.0011","14.4631","0.0015","14.9794","0.0016","81.313","0.002","73.034","0.001","70.432","0.002","1965.8","0.4","100","2","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H34 Cl2 F6 N2 O10 Pd2 -","- C37 H34 Cl2 F6 N2 O10 Pd2 -","- C74 H68 Cl4 F12 N4 O20 Pd4 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0586","0.0449","","","0.1196","0.1264","","","","","","1.08","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118345","9.4347","0.0008","12.5162","0.0011","16.0412","0.0014","75.497","0.001","78.327","0.001","71.822","0.001","1726.4","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H24 Cl2 N6 O4 Pd2 -","- C37 H24 Cl2 N6 O4 Pd2 -","- C74 H48 Cl4 N12 O8 Pd4 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0513","0.0368","","","0.07","0.0745","","","","","","1.064","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118346","8.2349","0.0007","13.3008","0.0012","18.9296","0.0017","90","","102.237","0.001","90","","2026.3","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F6 N2 Pd -","- C20 H24 F6 N2 Pd -","- C80 H96 F24 N8 Pd4 -","4","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0178","0.0162","","","0.0393","0.0401","","","","","","1.066","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118347","5.8806","0.0003","12.6232","0.0006","20.6562","0.0009","90","","90","","90","","1533.35","0.13","173.2","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54184","CuKα","","0.0255","0.0254","","","0.0683","0.0684","","","","","","1.108","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118348","17.9833","0.0017","5.7116","0.0006","40.992","0.004","90","","90","","90","","4210.4","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H21 F3 O2 -","- C26 H21 F3 O2 -","- C208 H168 F24 O16 -","8","2","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54178","CuKα","","0.1403","0.1049","","","0.293","0.3283","","","","","","1.062","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118349","10.7312","0.0006","6.0144","0.0004","11.0902","0.0007","90","","103.15","0.002","90","","697.01","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54178","CuKα","","0.0301","0.0299","","","0.0819","0.0821","","","","","","1.046","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118350","9.347","0.002","38.247","0.008","11.0355","0.0019","90","","115.056","0.006","90","","3573.9","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tep2ptcl2","","","- C37 H30 Cl4 P2 Pt Te -","- C37 H30 Cl4 P2 Pt Te -","- C148 H120 Cl16 P8 Pt4 Te4 -","4","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0302","0.0271","","","0.0549","0.0562","","","","","","1.002","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118351","10.9177","0.0015","10.1787","0.0014","34.619","0.005","90","","94.273","0.002","90","","3836.4","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tep2ptcl4","","","- C40 H36 Cl4 O P2 Pt Te -","- C40 H36 Cl4 O P2 Pt Te -","- C160 H144 Cl16 O4 P8 Pt4 Te4 -","4","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0544","0.0505","","","0.1378","0.1416","","","","","","1.004","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118352","16.821","0.004","15.309","0.004","16.315","0.004","90","","90","","90","","4201.3","1.8","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","TeP2PtI","","","- C37 H30 Cl2 I4 P2 Pt Te -","- C37 H30 Cl2 I4 P2 Pt Te -","- C148 H120 Cl8 I16 P8 Pt4 Te4 -","4","0.5","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0623","0.0508","","","0.1088","0.115","","","","","","1.03","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118353","11.515","0.004","11.663","0.004","14.145","0.004","79.654","0.003","69.66","0.003","71.754","0.003","1686.3","1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","tep2ptf","","","- C38 H34 Cl F O2 P2 Pt Te -","- C38 H34 Cl F O2 P2 Pt Te -","- C76 H68 Cl2 F2 O4 P4 Pt2 Te2 -","2","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0242","0.0222","","","0.0533","0.0545","","","","","","1.008","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118354","8.3294","0.0004","14.3335","0.0007","15.5664","0.0008","102.861","0.001","98.72","0.001","101.181","0.001","1740.2","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 K N4 O19 S -","- C28 H33 K N4 O19 S -","- C56 H66 K2 N8 O38 S2 -","2","1","","Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr","Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals","Journal of the American Chemical Society","2012","134","","12245","12251","10.1021/ja304799a","","","0.71073","MoKα","","0.0859","0.0591","","","0.1554","0.1748","","","","","","1.028","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118355","22.808","0.007","27.255","0.008","4.9139","0.0014","90","","90","","90","","3054.6","1.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C160 H144 N16 O16 -","8","2","","Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr","Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals","Journal of the American Chemical Society","2012","134","","12245","12251","10.1021/ja304799a","","","0.71073","MoKα","","0.0924","0.0558","","","0.117","0.1325","","","","","","1.051","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118356","17.2639","0.0003","16.1292","0.0003","20.9014","0.0004","90","","93.522","0.009","90","","5809.06","0.19","150","1","150","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C67 H62 B Br Fe N2 O P2 -","- C67 H62 B Br Fe N2 O P2 -","- C268 H248 B4 Br4 Fe4 N8 O4 P8 -","4","2","","Alexandre A. Mikhailine; Mazharul I. Maishan; Alan J. Lough; Robert H. Morris","The Mechanism of Efficient Asymmetric Transfer Hydrogenation of Acetophenone Using an Iron(II) Complex Containing an (S,S)-Ph2PCH2CH=NCHPhCHPhN=CHCH2PPh2 Ligand: Partial Ligand Reduction Is the Key","Journal of the American Chemical Society","2012","134","","12266","12280","10.1021/ja304814s","","","0.71073","MoKα","","0.1272","0.0709","","","0.1626","0.1802","","","","","","1.053","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118357","5.9404","0.0007","9.5623","0.0011","23.993","0.003","91.29","0.004","94.616","0.007","99.627","0.007","1338.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 O P2 -","- C33 H30 O P2 -","- C66 H60 O2 P4 -","2","1","","Masahiro Kamitani; Masumi Itazaki; Chihiro Tamiya; Hiroshi Nakazawa","Regioselective Double Hydrophosphination of Terminal Arylacetylenes Catalyzed by an Iron Complex","Journal of the American Chemical Society","2012","134","","11932","11935","10.1021/ja304818c","","","0.7107","MoKα","","0.0675","0.0563","","","0.0966","0.1006","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118358","10.2581","0.0006","11.9822","0.0007","22.0451","0.0014","90","","90","","90","","2709.7","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 P2 -","- C33 H30 P2 -","- C132 H120 P8 -","4","1","","Masahiro Kamitani; Masumi Itazaki; Chihiro Tamiya; Hiroshi Nakazawa","Regioselective Double Hydrophosphination of Terminal Arylacetylenes Catalyzed by an Iron Complex","Journal of the American Chemical Society","2012","134","","11932","11935","10.1021/ja304818c","","","0.7107","MoKα","","0.053","0.0463","","","0.0854","0.0878","","","","","","1.118","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118359","8.6025","0.0003","11.4786","0.0004","16.0146","0.0011","100.217","0.007","93.384","0.007","108.598","0.008","1463.64","0.15","195","2","195","2","","","","","","","","4","P 1","P 1","1","","(1R)-2,3,5-Tri-O-benzyl-4-O-formyl-D-arabinose 1-(dimethyl phosphonate)","","- C29 H35 O9 P -","- C29 H35 O9 P -","- C58 H70 O18 P2 -","2","2","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0379","0.0328","","","0.0764","0.094","","","","","","1.142","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118360","5.2851","0.0001","11.5055","0.0003","42.054","0.003","90","","90","","90","","2557.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((2S,3S,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido-1,2- oxaphosphinan-6-yl)methyl acetate","","- C24 H29 O9 P -","- C24 H29 O9 P -","- C96 H116 O36 P4 -","4","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0836","0.0518","","","0.1029","0.1289","","","","","","1.152","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118361","10.583","0.007","10.583","0.007","39.571","0.006","90","","90","","120","","3838","4","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","((2R,3R,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido- 1,2-oxaphosphinan-6yl)methyl acetate","","- C24 H29 O9 P -","- C24 H29 O9 P -","- C144 H174 O54 P6 -","6","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.101","0.0838","","","0.2151","0.2348","","","","","","1.085","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118362","5.6687","0.0007","15.6022","0.0017","14.1563","0.0017","90","","90.501","0.006","90","","1252","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl)-3-hydroxy-2- methoxy-1,2-oxaphosphinane 2-oxide","","- C27 H31 O7 P -","- C27 H31 O7 P -","- C54 H62 O14 P2 -","2","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.2088","0.1282","","","0.3031","0.37","","","","","","1.159","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118363","9.1046","0.0005","12.9502","0.0006","30.533","0.002","90","","90","","90","","3600","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (2R,3S,4S,5S,6R)-2-borane-3-acetoxy-4,5-bis(benzyloxy)-6- ((benzyloxy)methyl)-1,2-oxaphosphinan-2-olate","","- C34 H49 B N O7 P -","- C34 H49 B N O7 P -","- C136 H196 B4 N4 O28 P4 -","4","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0841","0.0591","","","0.1314","0.152","","","","","","1.09","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118364","49.576","0.005","49.576","0.005","9.938","0.002","90","","90","","120","","21153","5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H0 Co14 In18 N14 O224 -","- C270 Co14 In18 O224 -","- C270 Co14 In18 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1685","0.1244","","","0.3342","0.3596","","","","","","1.069","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118365","49.59","0.0003","49.59","0.0003","9.9168","0.0011","90","","90","","120","","21120","2","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H284 In18 N14 Ni14 O224 -","- C270 In18 Ni14 O224 -","- C270 In18 Ni14 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.2947","0.1427","","","0.3323","0.3656","","","","","","1.028","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118366","49.4418","0.0006","49.4418","0.0006","10.0065","0.0003","90","","90","","120","","21183.7","0.7","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H284 In18 Mn14 N14 O224 -","- C270 In18 Mn14 O224 -","- C270 In18 Mn14 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1609","0.134","","","0.3697","0.3827","","","","","","1.357","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118367","30.7158","0.0005","30.7158","0.0005","30.7158","0.0005","90","","90","","90","","28979.1","0.8","296","2","296","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C252 Co8 In6 N48 O96 -","- C252 Co8 In6 N48 O96 -","- C1008 Co32 In24 N192 O384 -","4","0.0416667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1259","0.0901","","","0.2327","0.271","","","","","","1.102","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118368","30.7159","0.0006","30.7159","0.0006","30.7159","0.0006","90","","90","","90","","28979.4","1","296","2","296","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C252 H0 In6 N48 O96 Zn8 -","- C252 In6 N48 O96 Zn8 -","- C1008 In24 N192 O384 Zn32 -","4","0.0416667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.119","0.0925","","","0.2456","0.2752","","","","","","1.189","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118369","22.788","0.0016","22.788","0.0016","17.154","0.003","90","","90","","90","","8908","1.8","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 Co In5 N0 O48 -","- C72 H24 Co In5 O48 -","- C144 H48 Co2 In10 O96 -","2","0.25","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.0886","0.0661","","","0.1566","0.169","","","","","","0.934","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118370","22.7219","0.0003","22.7219","0.0003","17.3033","0.0006","90","","90","","90","","8933.4","0.4","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 In5 N0 O48 Zn -","- C72 H24 In5 O48 Zn -","- C144 H48 In10 O96 Zn2 -","2","0.25","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.0558","0.0502","","","0.1255","0.129","","","","","","1","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118371","7.3041","0.0006","7.3041","0.0006","8.164","0.0015","90","","90","","120","","377.2","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0259","0.025","","","0.0507","0.0511","","","","","","1.151","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118372","7.2829","0.0009","7.2829","0.0009","8.1691","0.0009","90","","90","","120","","375.24","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0269","0.0257","","","0.0506","0.0511","","","","","","1.132","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118373","7.272","0.0008","7.272","0.0008","8.1678","0.0009","90","","90","","120","","374.06","0.07","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0286","0.0263","","","0.0563","0.0566","","","","","","1.146","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118374","7.2649","0.0009","7.2649","0.0009","8.1683","0.0009","90","","90","","120","","373.35","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0314","0.0228","","","0.0494","0.0514","","","","","","1.113","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118375","7.2411","0.0008","7.2411","0.0008","8.1789","0.0008","90","","90","","120","","371.39","0.07","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0288","0.0213","","","0.0491","0.054","","","","","","1.237","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118376","7.2282","0.0004","7.2282","0.0004","8.1778","0.0004","90","","90","","120","","370.02","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0526","0.0314","","","0.059","0.07","","","","","","1.205","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118377","7.2138","0.0004","7.2138","0.0004","8.1805","0.0004","90","","90","","120","","368.67","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0248","0.0235","","","0.0527","0.0535","","","","","","1.156","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118378","7.1937","0.0004","7.1937","0.0004","8.1788","0.0004","90","","90","","120","","366.54","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0291","0.0273","","","0.0623","0.0631","","","","","","1.08","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118379","16.3363","0.0006","14.3221","0.0005","18.8718","0.0006","90","","90","","90","","4415.4","0.3","90","2","90","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C38 H26 Cs2 F14 N2 O8 Pd2 -","- C35 H20 Cs2 F14 N2 O7 Pd2 -","- C140 H80 Cs8 F56 N8 O28 Pd8 -","4","0.5","","Xing-Guo Zhang; Hui-Xiong Dai; Masayuki Wasa; Jin-Quan Yu","Pd(II)-Catalyzed Ortho Trifluoromethylation of Arenes and Insights into the Coordination Mode of Acidic Amide Directing Groups","Journal of the American Chemical Society","2012","134","","11948","11951","10.1021/ja305259n","","","0.71073","MoKα","","0.0248","0.0191","","","0.0413","0.0428","","","","","","1.037","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118380","13.9419","0.0008","22.1802","0.0012","31.5865","0.0013","90","","90","","90","","9767.6","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","CS-10084","hartwig09","","- C100 H136 Cl F6 Ir N2 O10 P2 -","- C100 H136 Cl F6 Ir N2 O10 P2 -","- C400 H544 Cl4 F24 Ir4 N8 O40 P8 -","4","1","","Christo S. Sevov; Jianrong (Steve) Zhou; John F. Hartwig","Iridium-Catalyzed Intermolecular Hydroamination of Unactivated Aliphatic Alkenes with Amides and Sulfonamides","Journal of the American Chemical Society","2012","134","","11960","11963","10.1021/ja3052848","","","0.71073","MoKα","","0.0736","0.057","","","0.1076","0.1141","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118381","14.5387","0.0005","17.1238","0.0006","38.6297","0.0013","90","","99.033","0.002","90","","9497.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(5,6)Sc3N@C80N-(4-isopropoxyphenyl)nitrene 0.88 benzene 0.12 CS2","","","- C94.4 H16.27 N2 O S0.24 Sc3 -","- C94.395 H16.274 N2 O S0.242 Sc3 -","- C755.16 H130.192 N16 O8 S1.936 Sc24 -","8","1","","Tong-Xin Liu; Tao Wei; San-E Zhu; Guan-Wu Wang; Mingzhi Jiao; Shangfeng Yang; Faye L. Bowles; Marilyn M. Olmstead; Alan L. Balch","Azide Addition to an Endohedral Metallofullerene: Formation of Azafulleroids of Sc3N@Ih-C80","Journal of the American Chemical Society","2012","134","","11956","11959","10.1021/ja305446v","","","0.7749","synchrotron","","0.0684","0.0546","","","0.144","0.158","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118382","41.62","0.01","34.203","0.004","19.61","0.01","90","","90","","90","","27915","16","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C162 H234 N18 O75 P12 Pt6 S12 -","- C150 H54 N18 O75 P12 Pt6 S12 -","- C600 H216 N72 O300 P48 Pt24 S48 -","4","0.5","","Sébastien Bivaud; Jean-Yves Balandier; Marcos Chas; Magali Allain; Sébastien Goeb; Marc Sallé","A Metal-Directed Self-Assembled Electroactive Cage with Bis(pyrrolo)tetrathiafulvalene (BPTTF) Side Walls","Journal of the American Chemical Society","2012","134","","11968","11970","10.1021/ja305451v","","x-ray","0.71073","MoKα","","","0.1862","","","","0.5863","","","","","","1.927","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118383","9.951","0.002","11.461","0.002","15.275","0.003","90","","90","","90","","1742.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 -","- C18 H28 N2 -","- C72 H112 N8 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.3409","0.0859","","","0.1055","0.1211","","","","","","0.876","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118384","19.009","0.004","15.288","0.003","7.6842","0.0015","90","","95.16","0.03","90","","2224.1","0.8","123","2","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C104 H120 N8 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.1675","0.0669","","","0.1482","0.2117","","","","","","0.892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118385","14.708","0.003","9.242","0.0018","17.761","0.004","90","","98.32","0.03","90","","2388.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N2 O4 -","- C24 H34 N2 O4 -","- C96 H136 N8 O16 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2812","0.0669","","","0.1282","0.2148","","","","","","0.904","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118386","23.684","0.003","23.684","0.003","16.094","0.003","90","","90","","90","","9028","2","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C25 H33 N3 O -","- C25 H33 N3 O -","- C400 H528 N48 O16 -","16","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2207","0.0725","","","0.1431","0.2163","","","","","","0.971","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118387","13.582","0.003","18.279","0.004","17.283","0.004","90","","96.6","0.03","90","","4262.3","1.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H64 N4 Ni -","- C45 H64 N4 Ni -","- C180 H256 N16 Ni4 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2793","0.0739","","","0.0828","0.1205","","","","","","0.718","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118388","17.5048","0.0015","18.0868","0.0015","7.8839","0.0007","90","","91.904","0.001","90","","2494.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl O5 -","- C28 H33 Cl O5 -","- C112 H132 Cl4 O20 -","4","1","","Leonard Kaysser; Peter Bernhardt; Sang-Jip Nam; Sandra Loesgen; J. Graham Ruby; Peter Skewes-Cox; Paul R. Jensen; William Fenical; Bradley S. Moore","Merochlorins A-D, Cyclic Meroterpenoid Antibiotics Biosynthesized in Divergent Pathways with Vanadium-Dependent Chloroperoxidases","Journal of the American Chemical Society","2012","134","","11988","11991","10.1021/ja305665f","","","0.71073","MoKα","","0.0822","0.0452","","","0.098","0.1103","","","","","","1.029","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118389","10.4455","0.0003","10.4752","0.0003","29.5012","0.001","100.05","0.002","99.953","0.002","90.017","0.002","3129.07","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C168 H136 N8 O8 -","8","4","","Yi-Feng Wang; Hui Chen; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic Aliphatic C-H Oxygenation Directed by an Amidine Moiety","Journal of the American Chemical Society","2012","134","","11980","11983","10.1021/ja305833a","","","0.71073","MoKα","","0.0902","0.0574","","","0.1469","0.174","","","","","","1.03","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118390","12.3032","0.0012","5.6451","0.0005","12.6251","0.0009","90","","111.284","0.003","90","","817.04","0.12","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","","Yi-Feng Wang; Hui Chen; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic Aliphatic C-H Oxygenation Directed by an Amidine Moiety","Journal of the American Chemical Society","2012","134","","11980","11983","10.1021/ja305833a","","","0.71073","MoKα","","0.0352","0.0312","","","0.0751","0.0772","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118391","18.3125","0.0017","7.4191","0.0006","24.023","0.002","90","","103.336","0.002","90","","3175.8","0.5","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C21 H26 -","- C21 H26 -","- C168 H208 -","8","2","","Karavadhi Surendra; E. J. Corey","Highly Enantioselective Proton-Initiated Polycyclization of Polyenes","Journal of the American Chemical Society","2012","134","","11992","11994","10.1021/ja305851h","","","0.41328","synchrotron","","0.0936","0.0518","","","0.111","0.1462","","","","","","1.08","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118392","10.3362","0.0006","8.8687","0.0008","10.1656","0.0009","90","","91.514","0.008","90","","931.54","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 Fe4 Li4 O12 -","- B4 Fe4 Li4 O12 -","- B16 Fe16 Li16 O48 -","4","1","","Yuri Janssen; Derek S. Middlemiss; Shou-Hang Bo; Clare P. Grey; Peter G. Khalifah","Structural Modulation in the High Capacity Battery Cathode Material LiFeBO3","Journal of the American Chemical Society","2012","134","","12516","12527","10.1021/ja301881c","","x-ray","0.71073","","","","","","","","","","","","","","","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118393","6.634","0.019","7.46","0.02","16.24","0.04","90","","91.67","0.03","90","","803","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C38 H36 Cl2 N2 O4 -","2","1","","Gen Zhang; Yunxia Ma; Shoulei Wang; Yaohu Zhang; Rui Wang","Enantioselective Metal/Organo-Catalyzed Aerobic Oxidative sp3 C-H Olefination of Tertiary Amines Using Molecular Oxygen as the Sole Oxidant","Journal of the American Chemical Society","2012","134","","12334","12337","10.1021/ja303333k","","","0.71073","MoKα","","0.1007","0.0573","","","0.1217","0.1458","","","","","","1.01","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118394","16.2692","0.0019","14.4294","0.0016","36.797","0.004","90","","102.173","0.002","90","","8444","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H108 B2 Fe2 N O3 P6 -","- C102 H108 B2 Fe2 N O3 P6 -","- C408 H432 B8 Fe8 N4 O12 P24 -","4","1","","R. Adam Kinney; Caroline T. Saouma; Jonas C. Peters; Brian M. Hoffman","Modeling the Signatures of Hydrides in Metalloenzymes: ENDOR Analysis of a Di-iron Fe(μ-NH)(μ-H)Fe Core","Journal of the American Chemical Society","2012","134","","12637","12647","10.1021/ja303739g","","","0.71073","MoKα","","0.1115","0.062","","","0.1391","0.1607","","","","","","1.031","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118395","7.875","0.003","14.873","0.005","4.5444","0.0015","90","","90","","90","","532.3","0.3","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca0.68 Eu1.32 Ge2 Pb -","- Ca0.676 Eu1.324 Ge2 Pb -","- Ca2.704 Eu5.296 Ge8 Pb4 -","4","0.5","","Nian-Tzu Suen; James Hooper; Eva Zurek; Svilen Bobev","On the Nature of Ge-Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide-Plumbides","Journal of the American Chemical Society","2012","134","","12708","12716","10.1021/ja3042838","","","0.71073","MoKα","","0.0203","0.0182","","","0.0378","0.0385","","","","","","1.034","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118396","3.989","0.0014","15.243","0.005","4.5365","0.0016","90","","90","","90","","275.84","0.16","200","2","200","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Eu1.6 Ge2 Pb Sr0.4 -","- Eu1.596 Ge2 Pb Sr0.404 -","- Eu3.192 Ge4 Pb2 Sr0.808 -","2","0.125","","Nian-Tzu Suen; James Hooper; Eva Zurek; Svilen Bobev","On the Nature of Ge-Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide-Plumbides","Journal of the American Chemical Society","2012","134","","12708","12716","10.1021/ja3042838","","","0.71073","MoKα","","0.0297","0.0279","","","0.0601","0.0605","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118397","23.697","0.01","16.49","0.006","11.23","0.005","90","0.0015","111.69","0.0019","90","0.0015","4078","3","103.15","","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl3 O3 P S -","- C17 H20 Cl3 O3 P S -","- C136 H160 Cl24 O24 P8 S8 -","8","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.7107","MoKα","","0.0646","0.0476","","","0.0893","0.0959","","","","","","1.089","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118398","8.082","0.003","15.462","0.006","25.416","0.011","90","","90","","90","","3176","2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Cl6 O5 P S -","- C28 H25 Cl6 O5 P S -","- C112 H100 Cl24 O20 P4 S4 -","4","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.71075","MoKα","","0.0891","0.0753","","","0.1627","0.1736","","","","","","1.096","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118399","11.915","0.003","21.699","0.005","22.52","0.006","114.526","0.004","98.007","0.0015","94.549","0.003","5184","2","93.15","","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H103 F6 O24 P3 Pd3 S3 -","- C110 H103 F6 O24 P3 Pd3 S3 -","- C220 H206 F12 O48 P6 Pd6 S6 -","2","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.71075","MoKα","","0.0748","0.0579","","","0.1188","0.13","","","","","","1.094","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118400","24.2912","0.0018","8.2539","0.0006","11.5292","0.0007","90","","91.22","0.04","90","","2311","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0545","","","","0.0966","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118401","24.3004","0.0019","8.1645","0.0007","11.2542","0.0008","90","","92.045","0.004","90","","2231.4","0.3","13","","13","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0419","","","","0.0618","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118402","24.2761","0.0018","8.159","0.0006","11.2577","0.0008","90","","92.02","0.004","90","","2228.4","0.3","40","","40","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0441","","","","0.0375","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118403","24.2832","0.0018","8.1703","0.0006","11.281","0.0008","90","","91.942","0.004","90","","2236.9","0.3","65","","65","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0393","","","","0.067","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118404","24.2881","0.0018","8.1785","0.0007","11.3075","0.0008","90","","91.842","0.0004","90","","2245","0.3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0535","","","","0.0565","","","","","","1.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118405","24.298","0.0019","8.1698","0.0007","11.3283","0.0008","90","","91.664","0.004","90","","2247.8","0.3","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0541","","","","0.0646","","","","","","1.271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118406","24.291","0.0018","8.1925","0.0006","11.3719","0.0008","90","","91.677","0.004","90","","2262.1","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0535","","","","0.0417","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118407","24.2767","0.0017","8.1964","0.0006","11.3949","0.0007","90","","91.586","0.004","90","","2266.5","0.3","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0581","","","","0.0929","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118408","24.2726","0.0017","8.1912","0.0006","11.3966","0.0007","90","","91.501","0.004","90","","2265.1","0.3","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0589","","","","0.0506","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118409","24.275","0.0018","8.2202","0.0006","11.4529","0.0007","90","","91.352","0.004","90","","2284.7","0.3","250","","250","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0557","","","","0.1433","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118410","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Daiki Umeyama; Satoshi Horike; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Inherent Proton Conduction in a 2D Coordination Framework","Journal of the American Chemical Society","2012","134","","12780","12785","10.1021/ja304693r","","","0.71075","MoKα","","0.0555","0.0458","","","0.1454","0.161","","","","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118411","16.0415","0.0008","17.54","0.0009","21.4178","0.0011","90.053","0.001","99.441","0.001","110.809","0.001","5545.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H172 N2 O12 U2 -","- C128 H172 N2 O12 U2 -","- C256 H344 N4 O24 U4 -","2","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.075","0.0429","","","0.0984","0.112","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118412","28.114","0.003","18.5122","0.0018","21.76","0.002","90","","109.604","0.002","90","","10668.6","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C123 H160 N2 O10 U2 -","- C123.004 H160.01 N2 O10.002 U2 -","- C492.016 H640.04 N8 O40.008 U8 -","4","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0562","0.0427","","","0.0841","0.0863","","","","","","1.874","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118413","15.308","0.002","16.227","0.0008","22.224","0.003","102.031","0.005","101.942","0.009","91.137","0.008","5270.9","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H162 N2 O8 U2 -","- C124 H152 N2 O8 U2 -","- C248 H304 N4 O16 U4 -","2","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0653","0.0363","","","0.0711","0.0802","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118414","16.441","0.002","28.227","0.003","25.512","0.003","90","","104.997","0.003","90","","11436","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H175 N2 O9 U2 -","- C138 H170 N2 O9 U2 -","- C552 H680 N8 O36 U8 -","4","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0655","0.0408","","","0.0959","0.1092","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118415","7.136","0.0015","9.2544","0.0019","19.013","0.004","90","","90","","90","","1255.6","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0493","0.0451","","","0.1123","0.1144","","","","","","1.093","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118416","6.3855","0.0008","29.839","0.004","7.4877","0.0009","90","","109.527","0.002","90","","1344.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 O2 Si -","- C12 H24 O2 Si -","- C48 H96 O8 Si4 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.1195","0.1098","","","0.2395","0.2442","","","","","","1.308","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118417","10.0113","0.0008","7.6975","0.0006","17.9712","0.0015","90","","105.615","0.002","90","","1333.78","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 O2 Si -","- C13 H24 O2 Si -","- C52 H96 O8 Si4 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0596","0.0476","","","0.1128","0.1188","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118418","7.497","0.0005","18.6164","0.0012","11.6874","0.0008","90","","101.693","0.007","90","","1597.33","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0667","0.0465","","","0.1087","0.1194","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118419","11.1096","0.0005","7.8801","0.0003","13.7447","0.0006","90","","110.92","0.005","90","","1123.96","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0514","0.0419","","","0.0981","0.1049","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118420","13.1666","0.0007","26.4092","0.0016","10.3219","0.0006","90","","111.782","0.004","90","","3332.9","0.3","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H55 Cl2 In N2 O2 -","- C31 H55 Cl2 In N2 O2 -","- C124 H220 Cl8 In4 N8 O8 -","4","2","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0992","0.0701","","","0.177","0.1991","","","","","","1.009","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118421","8.29","0.0003","12.3742","0.0005","12.9732","0.0005","90","","98.477","0.002","90","","1316.28","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 I2 In N3 O -","- C22 H36 I2 In N3 O -","- C44 H72 I4 In2 N6 O2 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0313","0.0282","","","0.0629","0.0643","","","","","","1.095","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4118422","9.328","0.0006","11.9779","0.0009","14.8126","0.0009","81.227","0.004","84.778","0.004","69.172","0.004","1527.55","0.18","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H84 Cl8 I2 In2 N4 O4 -","- C48 H84 Cl8 I2 In2 N4 O4 -","- C48 H84 Cl8 I2 In2 N4 O4 -","1","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0453","0.0299","","","0.055","0.0597","","","","","","1.016","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118423","10.4732","0.0006","10.9899","0.0006","11.9172","0.0007","84.305","0.003","86.763","0.003","79.914","0.003","1342.73","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 I In N2 O2 -","- C25 H44 I In N2 O2 -","- C50 H88 I2 In2 N4 O4 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0446","0.0255","","","0.0528","0.0596","","","","","","1.028","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118424","10.5934","0.0002","17.4212","0.0004","15.661","0.0003","90","","102.128","0.001","90","","2825.73","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H83 I2 In2 N4 O4 -","- C48 H83 I2 In2 N4 O4 -","- C96 H166 I4 In4 N8 O8 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0289","0.0255","","","0.0578","0.0599","","","","","","1.076","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118425","10.3684","0.0008","11.195","0.0008","14.5462","0.0011","102.916","0.004","102.609","0.004","101.865","0.004","1547.5","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H100 I2 In2 N4 O8 -","- C56 H100 I2 In2 N4 O8 -","- C56 H100 I2 In2 N4 O8 -","1","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0389","0.0326","","","0.0793","0.0861","","","","","","1.076","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118426","4.619","0.0002","18.6734","0.0006","35.2274","0.001","90","","90","","90","","3038.45","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br O2 -","- C15 H17 Br O2 -","- C120 H136 Br8 O16 -","8","2","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","1.54178","CuKα","","0.0459","0.0377","","","0.0831","0.086","","","","","","1.023","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118427","23.6367","0.0008","4.8124","0.0002","16.9657","0.0006","90","","118.196","0.003","90","","1700.83","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","1.54178","CuKα","","0.0409","0.0331","","","0.0702","0.0736","","","","","","1.045","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118428","7.6609","0.0004","5.2659","0.0003","17.452","0.0008","90","","97.885","0.003","90","","697.38","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 S -","- C15 H18 O2 S -","- C30 H36 O4 S2 -","2","1","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","0.71073","MoKα","","0.0305","0.0271","","","0.0661","0.0679","","","","","","1.041","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118429","10.4852","0.0009","13.3205","0.0011","17.2875","0.0017","90","","90","","90","","2414.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl2 N O2 -","- C26 H31 Cl2 N O2 -","- C104 H124 Cl8 N4 O8 -","4","1","","Brian S. Lucas; Benjamin Fisher; Lawrence R. McGee; Steven H. Olson; Julio C. Medina; Eugene Cheung","An Expeditious Synthesis of the MDM2-p53 Inhibitor AM-8553","Journal of the American Chemical Society","2012","134","","12855","12860","10.1021/ja305123v","","","1.54178","CuKα","","0.0835","0.0664","","","0.1672","0.1817","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118430","9.1958","0.0007","13.9189","0.0011","12.6004","0.001","90","","104.126","0.001","90","","1564","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C68 H108 N4 O12 -","4","1","","Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao","Protecting Group-Free Total Synthesis of (-)-Lannotinidine B","Journal of the American Chemical Society","2012","134","","12323","12325","10.1021/ja305261h","","","0.71073","MoKα","","0.0363","0.0341","","","0.0944","0.0964","","","","","","1.05","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118431","7.0468","0.0004","7.1015","0.0004","15.3922","0.0008","87.122","0.004","83.596","0.005","74.946","0.005","739.01","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 Cl N O -","- C16 H26 Cl N O -","- C32 H52 Cl2 N2 O2 -","2","2","","Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao","Protecting Group-Free Total Synthesis of (-)-Lannotinidine B","Journal of the American Chemical Society","2012","134","","12323","12325","10.1021/ja305261h","","","0.71073","MoKα","","0.056","0.0527","","","0.145","0.1467","","","","","","1.081","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118432","7.5258","0.0013","16.3434","0.0045","17.6314","0.0049","90","","94.065","0.015","90","","2163.2","0.9","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N10 Ni O8 S2 -","- C30 H32 N10 Ni O8 S2 -","- C60 H64 N20 Ni2 O16 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118433","7.45297","0.00044","15.0032","0.0013","17.612","0.0026","90","","91.2922","0.0055","90","","1968.8","0.4","363","","363","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N9 Ni O7 S2 -","- C27 H25 N9 Ni O7 S2 -","- C54 H50 N18 Ni2 O14 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118434","7.45937","0.00048","15.5887","0.0018","17.1515","0.0031","90","","91.6479","0.0082","90","","1993.6","0.4","523","","523","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N8 Ni O6 S2 -","- C24 H18 N8 Ni O6 S2 -","- C48 H36 N16 Ni2 O12 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118435","38.135","0.003","10.364","0.002","25.782","0.002","90","","112.2","0.02","90","","9434","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cl2 F3 N3 O7.5 Re S -","- C46 H48 Cl2 F3 N3 O7.5 Re S -","- C368 H384 Cl16 F24 N24 O60 Re8 S8 -","8","1","","Martin Kuss-Petermann; Hilke Wolf; Dietmar Stalke; Oliver S. Wenger","Influence of Donor-Acceptor Distance Variation on Photoinduced Electron and Proton Transfer in Rhenium(I)-Phenol Dyads","Journal of the American Chemical Society","2012","134","","12844","12854","10.1021/ja3053046","","","0.71073","MoKα","","0.0464","0.0279","","","0.0499","0.0548","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118436","7.5941","0.0015","11.207","0.002","14.909","0.003","90","","94.05","0.03","90","","1265.7","0.4","571","2","571","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H28 O7 -","- C30 H28 O7 -","- C60 H56 O14 -","2","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","0.71073","MoKα","","0.168","0.0518","","","0.0498","0.0577","","","","","","0.745","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118437","9.988","0.005","7.091","0.003","19.356","0.009","90","","94.828","0.009","90","","1366","1.1","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O7 -","- C30 H30 O7 -","- C60 H60 O14 -","2","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","0.71073","MoKα","","0.0722","0.064","","","0.1058","0.1092","","","","","","1.172","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118438","8.6537","0.0012","12.5475","0.0017","25.388","0.003","90","","90","","90","","2756.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl2 O6 -","- C31 H32 Cl2 O6 -","- C124 H128 Cl8 O24 -","4","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","1.54186","CuKα","","0.108","0.0939","","","0.2337","0.2492","","","","","","1.109","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118439","12.6693","0.0018","15.589","0.002","12.7899","0.0018","90","","90.318","0.002","90","","2526","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H51 Cl4 I N2 O2 Ru -","- C54 H51 Cl4 I N2 O2 Ru -","- C108 H102 Cl8 I2 N4 O4 Ru2 -","2","1","","R. Kashif M. Khan; Adil R. Zhugralin; Sebastian Torker; Robert V. O'Brien; Pamela J. Lombardi; Amir H. Hoveyda","Synthesis, Isolation, Characterization, and Reactivity of High-Energy Stereogenic-at-Ru Carbenes: Stereochemical Inversion through Olefin Metathesis and Other Pathways","Journal of the American Chemical Society","2012","134","","12438","12441","10.1021/ja3056722","","","0.71073","MoKα","","0.0641","0.0504","","","0.1223","0.1328","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118440","14.4187","0.0007","9.2805","0.0005","15.6456","0.0008","90","","97.2292","0.0006","90","","2076.94","0.18","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 O Si -","- C21 H34 O Si -","- C84 H136 O4 Si4 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0487","0.037","","","0.0939","0.1021","","","","","","1.031","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118441","14.643","0.0008","9.0342","0.0005","14.9309","0.0008","90","","99.655","0.0007","90","","1947.2","0.18","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O Si -","- C20 H32 O Si -","- C80 H128 O4 Si4 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0414","0.0347","","","0.092","0.0969","","","","","","1.037","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118442","8.1378","0.0007","12.5293","0.001","30.853","0.003","90","","90","","90","","3145.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O2 Si2 -","- C30 H54 O2 Si2 -","- C120 H216 O8 Si8 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0285","0.0269","","","0.0684","0.0694","","","","","","1.11","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118443","10.1036","0.0008","13.2601","0.0011","16.4985","0.0013","92.8478","0.001","104.675","0.001","94.8505","0.001","2124.8","0.3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H36 O2 Si -","- C21 H36 O2 Si -","- C84 H144 O8 Si4 -","4","2","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0505","0.0445","","","0.1193","0.124","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118444","13.0479","0.0004","14.4505","0.0005","24.4704","0.0008","90","","90","","90","","4613.9","0.3","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H38 O3 Si -","- C23 H38 O3 Si -","- C184 H304 O24 Si8 -","8","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0763","0.0696","","","0.1892","0.197","","","","","","1.027","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118445","33.762","0.004","29.058","0.004","23.261","0.003","90","","112.789","0.002","90","","21039","5","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","[4]cyclo-3,9-chrysenylene","","- C120 H136 -","- C120 H136 -","- C960 H1088 -","8","1","","Shunpei Hitosugi; Takashi Yamasaki; Hiroyuki Isobe","Bottom-up Synthesis and Thread-in-Bead Structures of Finite (n,0)-Zigzag Single-Wall Carbon Nanotubes","Journal of the American Chemical Society","2012","134","","12442","12445","10.1021/ja305723j","","","0.71073","MoKα","","0.157","0.1285","","","0.3642","0.3853","","","","","","1.504","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118446","8.6055","0.001","8.1966","0.0009","19.405","0.002","90","","100.105","0.002","90","","1347.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 O3 P -","- C12 H19 O3 P -","- C48 H76 O12 P4 -","4","2","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","0.71073","MoKα","","0.0568","0.0491","","","0.1169","0.1234","","","","","","1.03","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118447","8.2186","0.0011","6.2179","0.0009","12.3208","0.0017","90","","96.635","0.003","90","","625.41","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 O4 P -","- C13 H15 O4 P -","- C26 H30 O8 P2 -","2","1","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","0.71073","MoKα","","0.0335","0.0326","","","0.0827","0.0837","","","","","","1.056","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118448","9.8201","0.0003","9.8553","0.0003","17.5142","0.0006","93.279","0.002","101.951","0.003","97.077","0.002","1639.67","0.09","133","2","133","2","","","","","","","","8","P 1","P 1","1","","","","- C67 H62 F3 N4 O11 P2 Rh S -","- C67 H62 F3 N4 O11 P2 Rh S -","- C67 H62 F3 N4 O11 P2 Rh S -","1","1","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","1.54178","CuKα","","0.0969","0.0866","","","0.2207","0.2323","","","","","","0.989","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118449","29.831","0.001","10.971","0.001","16.524","0.001","90","","123.193","0.001","90","","4525.5","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","A Molecular Gyrotop","","","- C48 H82 Si2 -","- C48 H82 Si2 -","- C192 H328 Si8 -","4","0.5","","Wataru Setaka; Kentaro Yamaguchi","A Molecular Balloon: Expansion of a Molecular Gyrotop Cage Due to Rotation of the Phenylene Rotor","Journal of the American Chemical Society","2012","134","","12458","12461","10.1021/ja305822e","","","0.7","synchrotron","","0.0764","0.0674","","","0.1796","0.1909","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118450","11.994","0.002","11.994","0.002","14.639","0.003","90","","90","","120","","1823.8","0.6","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ce Ga7.87 Pd3.13 -","- Ce Ga7.86467 Pd3.13533 -","- Ce9 Ga70.782 Pd28.218 -","9","0.25","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0441","0.0376","","","0.0672","0.0692","","","","","","1.187","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118451","11.8617","0.0006","11.9511","0.0005","8.5065","0.0003","90","","90","","90","","1205.88","0.09","298","2","298","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ce Ga7.79 Pd3.21 -","- Ce Ga7.79333 Pd3.20667 -","- Ce6 Ga46.76 Pd19.24 -","6","0.75","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0501","0.0417","","","0.0942","0.0988","","","","","","1.095","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118452","8.4643","0.0009","8.4643","0.0009","8.4643","0.0009","90","","90","","90","","606.42","0.11","298","2","298","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ce Ga8.1 Pd2.9 -","- Ce Ga8.13333 Pd2.86667 -","- Ce3 Ga24.4 Pd8.6 -","3","0.0625","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0386","0.0352","","","0.0584","0.0592","","","","","","1.402","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118453","11.88226","0.00002","11.97582","0.00002","8.533818","0.000015","90","","90","","90","","1214.36","0.004","295","","295","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ce Ga7.819 Pd3.181 -","- Ce Ga7.79867 Pd3.20133 -","- Ce6 Ga46.792 Pd19.208 -","6","0.75","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","powder diffraction","x-ray","0.41361","","","0.0397","0.0385","","0.0441","0.0439","","","","1.42","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118454","16.8984","0.0008","16.8984","0.0008","16.8984","0.0008","90","","90","","90","","4825.4","0.4","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce Ga8.31 Pd2.69 -","- Ce Ga8.31333 Pd2.68667 -","- Ce24 Ga199.52 Pd64.48 -","24","0.125","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.043","0.0397","","","0.0706","0.0718","","","","","","1.312","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118455","12.521","0.006","15.079","0.007","22.635","0.01","90","","102","0.007","90","","4180","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 N3 O1.5 V -","- C43 H63 N3 O1.5 V -","- C172 H252 N12 O6 V4 -","4","1","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.2091","0.0687","","","0.1111","0.1497","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118456","13.409","0.005","19.013","0.007","19.713","0.007","90","","96.58","0.007","90","","4993","3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H78 N4 O2 V -","- C52 H78 N4 O2 V -","- C208 H312 N16 O8 V4 -","4","1","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.1067","0.055","","0.1419","0.1235","0.1419","","","","","","1.0071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118457","20.767","0.002","19.76","0.002","10.9044","0.0013","90","","90","","90","","4474.7","0.8","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H70 N2 O V -","- C46 H70 N2 O V -","- C184 H280 N8 O4 V4 -","4","0.5","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.072","0.0481","","0.134","0.1112","0.134","","","","","","1.0237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118458","21.122","0.004","8.837","0.0017","15.91","0.003","90","","106.517","0.003","90","","2847.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZn(n-Pr)","","","- C26.5 H42 B N3 O3 Zn -","- C26.5 H36 B N3 O3 Zn -","- C106 H144 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0545","0.0399","","","0.1116","0.1209","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118459","8.923","0.004","12.263","0.005","24.961","0.011","90","","95.813","0.007","90","","2717","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnOOnPr","","","- C24 H36 B N3 O5 Zn -","- C24 H36 B N3 O5 Zn -","- C96 H144 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0927","0.0695","","","0.1667","0.178","","","","","","1.284","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118460","12.3951","0.0005","14.1997","0.0007","17.5742","0.0009","90","","99.652","0.001","90","","3049.4","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnEt","","","- C30 H42 B N3 O3 Zn -","- C30 H42 B N3 O3 Zn -","- C120 H168 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0392","0.0285","","","0.0729","0.0781","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118461","8.835","0.007","21.999","0.015","14.222","0.014","90","","106.678","0.011","90","","2648","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZntBu","","","- C25 H38 B N3 O3 Zn -","- C25 H38 B N3 O3 Zn -","- C100 H152 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.09","0.0494","","","0.0911","0.1129","","","","","","1.064","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118462","10.9684","0.0005","11.3768","0.0005","13.7524","0.0007","91.326","0.001","90.774","0.001","115.505","0.001","1547.92","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","ToMZnPh","","","- C31 H42 B N3 O4 Zn -","- C31 H42 B N3 O4 Zn -","- C62 H84 B2 N6 O8 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.056","0.0489","","","0.137","0.1429","","","","","","1.026","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118463","14.715","0.0019","15.19","0.002","15.357","0.002","92.092","0.002","107.853","0.002","106.327","0.002","3107.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToMZnCH2Ph","","","- C29.75 H38 B N3 O3 Zn -","- C29.75 H38 B N3 O3 Zn -","- C119 H152 B4 N12 O12 Zn4 -","4","2","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.071","0.0484","","","0.1487","0.1633","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118464","17.5899","0.0014","9.3476","0.0008","15.935","0.0013","90","","90.569","0.001","90","","2620","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZnOOEt","","","- C23 H34 B N3 O5 Zn -","- C23 H34 B N3 O5 Zn -","- C92 H136 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0411","0.0323","","","0.0882","0.0981","","","","","","1.068","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118465","19.7541","0.0019","8.777","0.0009","15.5077","0.0015","90","","100.552","0.001","90","","2643.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZnOOiPr","","","- C24 H36 B N3 O5 Zn -","- C24 H36 B N3 O5 Zn -","- C96 H144 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0471","0.0369","","","0.1085","0.1159","","","","","","1.026","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118466","9.1822","0.0012","11.8878","0.0015","13.71","0.0018","99.323","0.002","107.483","0.002","92.158","0.002","1402.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToMZnOOtBu","","","- C25 H38 B N3 O5 Zn -","- C25 H38 B N3 O5 Zn -","- C50 H76 B2 N6 O10 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0478","0.0358","","","0.0836","0.0897","","","","","","1.011","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118467","8.916","0.002","22.469","0.006","16.055","0.004","90","","104.468","0.004","90","","3114.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnOOCMe2Ph","","","- C30 H40 B N3 O5 Zn -","- C30 H40 B N3 O5 Zn -","- C120 H160 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0702","0.0441","","","0.1042","0.119","","","","","","1.007","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118468","10.829","0.003","16.664","0.004","17.448","0.005","99.376","0.006","104.706","0.005","94.808","0.005","2978.8","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToM2Zn","bis(tris(4,4-dimethyl-2-oxazolinyl)phenyl)borato)zinc","","- C59.5 H78 B2 N6 O6 Zn -","- C56 H74 B2 N6 O6 Zn -","- C112 H148 B4 N12 O12 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.1027","0.0839","","","0.2351","0.2505","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118469","4.0276","0.0001","4.02761","","27.3441","0.0004","90","","90","","90","","443.565","0.013","","","298","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- As4 Ba2 Fe2 O Ti2 -","- As4 Ba2 Fe2 O Ti2 -","- As8 Ba4 Fe4 O2 Ti4 -","2","0.0625","","Yun-Lei Sun; Hao Jiang; Hui-Fei Zhai; Jin-Ke Bao; Wen-He Jiao; Qian Tao; Chen-Yi Shen; Yue-Wu Zeng; Zhu-An Xu; Guang-Han Cao","Ba2Ti2Fe2As4O: A New Superconductor Containing Fe2As2 Layers and Ti2O Sheets","Journal of the American Chemical Society","2012","134","","12893","12896","10.1021/ja304315e","powder diffraction","","1.54179","CuK_alpha1,K_alpha2","","","","","","","","","","1.4","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118470","11.574","0.009","12.767","0.01","16.533","0.014","90","","90","","90","","2443","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 Fe2 O4 P2 S2 -","- C17 H32 Fe2 O4 P2 S2 -","- C68 H128 Fe8 O16 P8 S8 -","4","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0641","0.0427","","","0.1002","0.1181","","","","","","0.954","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118471","14.986","0.005","23.932","0.008","16.726","0.006","90","","110.896","0.004","90","","5604","3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H32 F6 Fe2 O4 P3 S2 -","- C17 H32 F6 Fe2 O4 P3 S2 -","- C136 H256 F48 Fe16 O32 P24 S16 -","8","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0484","0.0284","","","0.061","0.0692","","","","","","1.006","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118472","18.053","0.006","7.261","0.002","21.693","0.007","90","","94.324","0.004","90","","2835.5","1.5","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C16 H32.2 Fe2 N O4.1 P2 S2 -","- C16 H32.2 Fe2 N O4.1 P2 S2 -","- C64 H128.8 Fe8 N4 O16.4 P8 S8 -","4","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0748","0.0587","","","0.1524","0.165","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118473","10.847","0.002","11.967","0.002","12.04","0.002","66.104","0.002","84.174","0.002","79.316","0.002","1403.5","0.4","110","2","110","2","","","","","","","","10","P -1","-P 1","2","","","","- C15 H30 B Cl2 F4 Fe2 N O4 P2 S2 -","- C15 H30 B Cl2 F4 Fe2 N O4 P2 S2 -","- C30 H60 B2 Cl4 F8 Fe4 N2 O8 P4 S4 -","2","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0479","0.0404","","","0.1146","0.1205","","","","","","1.042","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118474","5.9788","0.0003","15.7539","0.0009","17.1082","0.001","90","","90","","90","","1611.41","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl N2 O3 -","- C15 H21 Cl N2 O3 -","- C60 H84 Cl4 N8 O12 -","4","1","","Ana Crespo-Peña; David Monge; Eloísa Martín-Zamora; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts","Journal of the American Chemical Society","2012","134","","12912","12915","10.1021/ja305209w","","","0.71073","MoKα","","0.0463","0.0409","","","0.106","0.1117","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118475","12.3447","0.0004","12.3447","0.0004","5.9591","0.0003","90","","90","","120","","786.45","0.05","173","2","173","2","","","","","","","","4","P 31","P 31","144","","","","- C9 H12 O4 S -","- C9 H12 O4 S -","- C27 H36 O12 S3 -","3","1","","Ana Crespo-Peña; David Monge; Eloísa Martín-Zamora; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts","Journal of the American Chemical Society","2012","134","","12912","12915","10.1021/ja305209w","","","0.71073","MoKα","","0.036","0.0322","","","0.0808","0.084","","","","","","1.035","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118476","11.6354","0.0009","12.6447","0.001","15.6781","0.0011","71.62","0.004","69.603","0.004","63.746","0.004","1903","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H47 N O8 -","- C44 H47 N O8 -","- C88 H94 N2 O16 -","2","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","0.71073","MoKα","","0.064","0.0435","","","0.1015","0.1135","","","","","","1.017","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118477","24.1823","0.0014","12.2311","0.0007","24.7388","0.0013","90","","90","","90","","7317.1","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H42 N2 O9 -","- C36 H42 N2 O9 -","- C288 H336 N16 O72 -","8","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","1.54178","CuKα","","0.0641","0.0609","","","0.1647","0.1672","","","","","","1.054","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118478","6.3478","0.0002","12.4544","0.0004","30.1079","0.001","90","","90","","90","","2380.27","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C112 H112 O32 -","4","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","1.54178","CuKα","","0.0238","0.0237","","","0.0613","0.0614","","","","","","1.036","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118479","12.6455","0.0013","20.498","0.002","23.256","0.002","90","","91.352","0.005","90","","6026.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 Cl3 N4 O6 P3 -","- C64.96 H63.88 Cl3 N4 O6 P2.99 -","- C259.84 H255.52 Cl12 N16 O24 P11.96 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0768","0.0535","","","0.1288","0.1404","","","","","","1.1","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118480","18.0377","0.0012","22.4938","0.0014","18.8096","0.0011","90","","110.227","0.003","90","","7161.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H87 Cl5 N5 O6 P2 -","- C77 H87 Cl5 N5 O6 P2 -","- C308 H348 Cl20 N20 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.1488","0.0713","","","0.1676","0.2064","","","","","","1.018","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118481","29.56","0.005","29.302","0.004","29.361","0.005","90","","91.914","0.007","90","","25417","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.88 H61.75 Cl4.75 N5 O6 P2 -","- C67.875 H61.75 Cl4.675 N5 O6 P2 -","- C1086 H988 Cl74.8 N80 O96 P32 -","16","2","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.2647","0.1782","","","0.3986","0.456","","","","","","1.048","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118482","16.4602","0.0005","19.4188","0.0006","21.0109","0.0007","90","","111.798","0.002","90","","6235.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 Cl5 N4 O6 P3 -","- C66 H66 Cl5 N4 O6 P3 -","- C264 H264 Cl20 N16 O24 P12 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0758","0.0575","","","0.1556","0.1683","","","","","","1.044","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118483","13.923","0.0011","24.8975","0.0016","16.6359","0.0013","90","","100.953","0.003","90","","5661.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H61 Cl N6 O6 P2 -","- C68 H61 Cl N6 O6 P2 -","- C272 H244 Cl4 N24 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0846","0.0543","","","0.1304","0.1473","","","","","","1.018","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118484","11.097","0.003","21.896","0.006","22.955","0.006","90","","90","","90","","5578","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C62 H57 N5 O8 P2 -","- C62 H53 N5 O8 P2 -","- C248 H212 N20 O32 P8 -","4","0.5","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.2181","0.0891","","","0.2251","0.2689","","","","","","1.004","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118485","10.994","0.002","13.654","0.002","22.642","0.003","88.1","0.003","79.105","0.003","76.97","0.003","3251.5","0.9","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H67 N9 O7 P2 -","- C69 H61 N7 O7 P2 -","- C138 H122 N14 O14 P4 -","2","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.1889","0.0642","","","0.0989","0.1255","","","","","","0.984","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118486","16.273","0.002","17.888","0.002","19.236","0.002","90","","90","","90","","5599.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H56 N6 O6 P2 -","- C64 H56 N6 O6 P2 -","- C256 H224 N24 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.1939","0.0808","","","0.1945","0.2524","","","","","","0.993","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118487","17.934","0.006","17.453","0.006","20.496","0.007","90","","106.371","0.011","90","","6155","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H62 Cl5 N5 O6 P2 -","- C68 H62 Cl5 N5 O6 P2 -","- C272 H248 Cl20 N20 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0664","0.0438","","","0.1011","0.1116","","","","","","1.036","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118488","12.8803","0.0006","22.8993","0.001","21.1979","0.0009","90","","106.586","0.001","90","","5992.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67.5 H63.5 Cl3 N5.5 O7 P2 -","- C67.5 H63.5 Cl3 N5.5 O7 P2 -","- C270 H254 Cl12 N22 O28 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0989","0.0729","","","0.1982","0.2147","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118489","16.7835","0.001","18.0758","0.001","20.0253","0.0012","90","","99.529","0.003","90","","5991.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 Cl3 N4 O6 P3 -","- C65 H64 Cl3 N4 O6 P3 -","- C260 H256 Cl12 N16 O24 P12 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0755","0.0453","","","0.1104","0.1296","","","","","","1.035","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118490","12.0602","0.0011","18.0394","0.0017","7.8387","0.0007","90","","90","","90","","1705.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","YMW-VI-122","toste61","","- C21 H20 Br N O -","- C21 H20 Br N O -","- C84 H80 Br4 N4 O4 -","4","1","","Yi-Ming Wang; Jeffrey Wu; Christina Hoong; Vivek Rauniyar; F. Dean Toste","Enantioselective Halocyclization Using Reagents Tailored for Chiral Anion Phase-Transfer Catalysis","Journal of the American Chemical Society","2012","134","","12928","12931","10.1021/ja305795x","","","0.71073","MoKα","","0.0241","0.0218","","","0.0473","0.0482","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118491","20.3479","0.0011","14.1583","0.0008","17.4224","0.001","90","","90.081","0.001","90","","5019.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Selectbro","","","- C39 H67 B3 Br F12 N7 O6 -","- C39 H67 B3 Br F12 N7 O6 -","- C156 H268 B12 Br4 F48 N28 O24 -","4","1","","Yi-Ming Wang; Jeffrey Wu; Christina Hoong; Vivek Rauniyar; F. Dean Toste","Enantioselective Halocyclization Using Reagents Tailored for Chiral Anion Phase-Transfer Catalysis","Journal of the American Chemical Society","2012","134","","12928","12931","10.1021/ja305795x","","","0.71073","MoKα","","0.0756","0.0713","","","0.1855","0.1892","","","","","","1.081","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118492","23.75","0.004","49.017","0.008","13.018","0.002","90","","90","","90","","15155","4","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Me2CB7*DAA*I2.nH2O","Me2CB7*DAA*I2.nH2O","","- C52 H80 I2 N30 O25 -","- C51.992 H59.986 I0.5 N29.998 O15 -","- C415.936 H479.888 I4 N239.984 O120 -","8","1","","Brittany Vinciguerra; Liping Cao; Joe R. Cannon; Peter Y. Zavalij; Catherine Fenselau; Lyle Isaacs","Synthesis and Self-Assembly Processes of Monofunctionalized Cucurbit[7]uril","Journal of the American Chemical Society","2012","134","","13133","13140","10.1021/ja3058502","","","0.71073","MoKα","","0.089","0.0762","","","0.1708","0.1767","","","","","","1","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118493","19.293","0.003","19.293","0.003","20.838","0.003","90","","90","","120","","6717.2","1.8","100","2","100","2","","","","","","","","6","P 65","P 65","170","ZnTTFTB","","","- C41.59 H38.99 N1.9 O12.85 S4 Zn2 -","- C41.592 H38.984 N1.896 O12.848 S4 Zn2 -","- C249.552 H233.904 N11.376 O77.088 S24 Zn12 -","6","1","","Tarun C. Narayan; Tomoyo Miyakai; Shu Seki; Mircea Dincă","High Charge Mobility in a Tetrathiafulvalene-Based Microporous Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","12932","12935","10.1021/ja3059827","","","0.71073","MoKα","","0.0227","0.0216","","","0.0497","0.0503","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118494","7.61622","0.00015","12.3664","0.0003","13.3676","0.0002","75.4211","0.0017","89.7585","0.0015","75.0582","0.0018","1174.81","0.04","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C50 H56 Cl2 N2 O12 -","2","2","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.71073","MoKα","","0.0678","0.0607","","","0.1717","0.1774","","","","","","1.386","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118495","8.39375","0.00013","9.36061","0.00012","21.2883","0.0004","90","","97.9774","0.0015","90","","1656.45","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 O6 S2 Si -","- C34 H40 O6 S2 Si -","- C68 H80 O12 S4 Si2 -","2","1","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.7107","MoKα","","0.054","0.0418","","","0.0812","0.0871","","","","","","1.047","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118496","10.9824","0.0004","15.9803","0.0007","18.9154","0.0008","90","","90","","90","","3319.7","0.2","100","1","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 Cl N2 O5 S Si -","- C33 H41 Cl N2 O5 S Si -","- C132 H164 Cl4 N8 O20 S4 Si4 -","4","1","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.71073","MoKα","","0.0305","0.0281","","","0.0707","0.0722","","","","","","1.04","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118497","30.3","0.006","57.1","0.011","38.2","0.008","90","","109.3","0.03","90","","62377","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Br_exchanged_Au102","","","- C308 H488 Au102 Br O99 S44 -","- C305.82 Au102 Br2.18 O83.64 S44 -","- C1223.28 Au408 Br8.72 O334.56 S176 -","4","0.5","","Christine L. Heinecke; Thomas W. Ni; Sami Malola; Ville Mäkinen; O. Andrea Wong; Hannu Häkkinen; Christopher J. Ackerson","Structural and Theoretical Basis for Ligand Exchange on Thiolate Monolayer Protected Gold Nanoclusters","Journal of the American Chemical Society","2012","134","","13316","13322","10.1021/ja3032339","","","0.827","Synchrotron","","0.1472","0.084","","","0.2596","0.3042","","","","","","1.08","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118498","19.8802","0.0012","6.2307","0.0004","12.7748","0.0008","90","","95.433","0.004","90","","1575.27","0.17","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H16 Br N O4 -","- C17 H16 Br N O4 -","- C68 H64 Br4 N4 O16 -","4","1","","Carolyn A. Leverett; Vikram C. Purohit; Alex G. Johnson; Rebecca L. Davis; Dean J. Tantillo; Daniel Romo","Dyotropic Rearrangements of Fused Tricyclic β-Lactones: Application to the Synthesis of (-)-Curcumanolide A and (-)-Curcumalactone","Journal of the American Chemical Society","2012","134","","13348","13356","10.1021/ja303414a","","","1.54178","CuKα","","0.0316","0.0302","","","0.074","0.0747","","","","","","1.009","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118499","7.9","0.003","6.278","0.002","26.961","0.008","90","","91.79","0.02","90","","1336.5","0.8","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Carolyn A. Leverett; Vikram C. Purohit; Alex G. Johnson; Rebecca L. Davis; Dean J. Tantillo; Daniel Romo","Dyotropic Rearrangements of Fused Tricyclic β-Lactones: Application to the Synthesis of (-)-Curcumanolide A and (-)-Curcumalactone","Journal of the American Chemical Society","2012","134","","13348","13356","10.1021/ja303414a","","","1.54178","CuKα","","0.1028","0.0818","","","0.1951","0.212","","","","","","1.019","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118500","7.886","0.003","14.398","0.003","7.076","0.003","90.58","0.02","117.22","0.02","80.58","0.02","702.9","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.0857","0.0648","","","0.1885","0.2065","","","","","","1.061","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118501","13.462","0.012","8.271","0.007","11.139","0.01","90","","110.853","0.015","90","","1159","1.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O2 S4 -","- C10 H10 O2 S4 -","- C40 H40 O8 S16 -","4","1","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71075","MoKα","","0.0602","0.0503","","","0.1114","0.1179","","","","","","1.143","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118502","7.657","0.002","13.517","0.003","7.117","0.001","99.45","0.02","102.23","0.02","74.82","0.02","690.1","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1337","0.057","","","0.1532","0.1892","","","","","","1.003","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118503","7.536","0.005","13.993","0.01","6.899","0.005","89.054","0.01","114.137","0.009","81.358","0.008","653.9","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71073","MoKα","","0.125","0.07","","","0.1796","0.2244","","","","","","1.013","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118504","7.6568","0.0018","13.669","0.003","7.135","0.003","99.32","0.03","103.38","0.03","74.644","0.017","696.5","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1413","0.0525","","","0.1227","0.1523","","","","","","0.985","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118505","7.573","0.009","14.167","0.016","6.91","0.005","88.68","0.07","114.23","0.06","81.31","0.09","665.3","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1655","0.1314","","","0.3233","0.3646","","","","","","1.077","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118506","7.488","0.002","14.543","0.003","7.182","0.005","94.22","0.03","110.72","0.03","78.956","0.019","718","0.6","373","","373","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1639","0.1164","","","0.2924","0.3462","","","","","","1.278","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118507","10.006","0.002","10.241","0.002","10.658","0.002","78.102","0.008","68.184","0.007","81.527","0.009","989.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Mn N3 O6 -","- C18 H11 Mn N3 O6 -","- C36 H22 Mn2 N6 O12 -","2","1","","Tomohiro Fukushima; Satoshi Horike; Hirokazu Kobayashi; Masahiko Tsujimoto; Seiji Isoda; Maw Lin Foo; Yoshiki Kubota; Masaki Takata; Susumu Kitagawa","Modular Design of Domain Assembly in Porous Coordination Polymer Crystals via Reactivity-Directed Crystallization Process","Journal of the American Chemical Society","2012","134","","13341","13347","10.1021/ja303588m","","","0.71075","MoKα","","0.0918","0.0788","","","0.2865","0.2957","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118508","19.6005","0.0008","18.3272","0.0007","16.5333","0.0006","90","","90","","90","","5939.1","0.4","303","","303","","","","","","","","","3","I m m m","-I 2 2","71","Zeolite ITQ-49","","","- Ge0.1755 O2 Si0.8245 -","- Ge0.175348 O2 Si0.824652 -","- Ge16.132 O184 Si75.868 -","92","5.75","","Manuel Hernández-Rodríguez; Jose L. Jordá; Fernando Rey; Avelino Corma","Synthesis and Structure Determination of a New Microporous Zeolite with Large Cavities Connected by Small Pores","Journal of the American Chemical Society","2012","134","","13232","13235","10.1021/ja306013k","powder diffraction","","1.5418","CuKα","","","","","","","","","5.7374","","","","","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118509","23.485","0.005","23.485","0.005","8.995","0.005","90","","90","","90","","4961","3","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C25 H24 Cl2 Cu N4 O4 -","- C25 Cl2 Cu N4 O4 -","- C100 Cl8 Cu4 N16 O16 -","4","0.5","","Akihito Shigematsu; Teppei Yamada; Hiroshi Kitagawa","Selective Separation of Water, Methanol, and Ethanol by a Porous Coordination Polymer Built with a Flexible Tetrahedral Ligand","Journal of the American Chemical Society","2012","134","","13145","13147","10.1021/ja306401j","","","0.71069","MoKα","","","0.0575","","","","0.1672","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118510","11.1241","0.0004","9.156","0.0003","17.8862","0.0006","90","","103.421","0.0015","90","","1772","0.11","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br Cl3 N O4 S -","- C12 H15 Br Cl3 N O4 S -","- C48 H60 Br4 Cl12 N4 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0263","0.0252","","","0.0669","0.0679","","","","","","1.049","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118511","18.4231","0.0005","9.1321","0.0003","10.0716","0.0003","90","","90","","90","","1694.46","0.09","123","1","123","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0154","0.0154","","","0.0412","0.0412","","","","","","1.073","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118512","6.0092","0.0002","10.834","0.0003","14.5195","0.0004","88.5906","0.0014","78.7501","0.0011","80.8585","0.0012","915.31","0.05","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl3 N O6 S -","- C15 H18 Cl3 N O6 S -","- C30 H36 Cl6 N2 O12 S2 -","2","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0305","0.0268","","","0.0686","0.0725","","","","","","1.02","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118513","10.2165","0.0003","18.274","0.0006","10.12","0.0003","90","","111.332","0.0012","90","","1759.92","0.09","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0265","0.0254","","","0.0693","0.0702","","","","","","1.076","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118514","7.6787","0.0002","16.934","0.0004","18.3591","0.0004","90","","92.984","0.002","90","","2384.02","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N5 S2 -","- C28 H19 N5 S2 -","- C112 H76 N20 S8 -","4","1","","Yi-Hong Chen; Li-Yen Lin; Chih-Wei Lu; Francis Lin; Zheng-Yu Huang; Hao-Wu Lin; Po-Han Wang; Yi-Hung Liu; Ken-Tsung Wong; Jianguo Wen; Dean J. Miller; Seth B. Darling","Vacuum-Deposited Small-Molecule Organic Solar Cells with High Power Conversion Efficiencies by Judicious Molecular Design and Device Optimization","Journal of the American Chemical Society","2012","134","","13616","13623","10.1021/ja301872s","","","1.54178","CuKα","","0.0473","0.0429","","","0.1272","0.1351","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118515","8.9955","0.0004","13.0986","0.0006","20.8888","0.0009","90","","93.997","0.004","90","","2455.31","0.19","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N5 S -","- C30 H21 N5 S -","- C120 H84 N20 S4 -","4","1","","Yi-Hong Chen; Li-Yen Lin; Chih-Wei Lu; Francis Lin; Zheng-Yu Huang; Hao-Wu Lin; Po-Han Wang; Yi-Hung Liu; Ken-Tsung Wong; Jianguo Wen; Dean J. Miller; Seth B. Darling","Vacuum-Deposited Small-Molecule Organic Solar Cells with High Power Conversion Efficiencies by Judicious Molecular Design and Device Optimization","Journal of the American Chemical Society","2012","134","","13616","13623","10.1021/ja301872s","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118516","11.749","0.003","23.17","0.005","27.499","0.005","90","","90","","90","","7486","3","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Cl2 Fe N3 O2 -","- C36 H34 Cl2 Fe N3 O2 -","- C288 H272 Cl16 Fe8 N24 O16 -","8","2","","Takashi Niwa; Masahisa Nakada","A Non-Heme Iron(III) Complex with Porphyrin-like Properties That Catalyzes Asymmetric Epoxidation","Journal of the American Chemical Society","2012","134","","13538","13541","10.1021/ja304219s","","","0.71075","MoKα","","","0.0766","","","","0.2484","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118517","7.0393","0.0003","10.7218","0.0004","17.8586","0.0007","90","","90","","90","","1347.86","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","David M. Rubush; Michelle A. Morges; Barbara J. Rose; Douglas H. Thamm; Tomislav Rovis","An Asymmetric Synthesis of 1,2,4-Trioxane Anticancer Agents via Desymmetrization of Peroxyquinols through a Brønsted Acid Catalysis Cascade","Journal of the American Chemical Society","2012","134","","13554","13557","10.1021/ja3052427","","","0.71073","MoKα","","0.0493","0.0318","","","0.0548","0.0709","","","","","","1.096","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118518","8.9883","0.0008","13.3229","0.0012","21.141","0.002","89.603","0.002","88.668","0.002","85.344","0.002","2522.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 O4 -","- C67 H68 O4 -","- C134 H136 O8 -","2","1","","Jiye Luo; Xiaomin Xu; Renxin Mao; Qian Miao","Curved Polycyclic Aromatic Molecules That Are π-Isoelectronic to Hexabenzocoronene","Journal of the American Chemical Society","2012","134","","13796","13803","10.1021/ja3054354","","","0.71073","MoKα","","0.1183","0.078","","","0.2058","0.2416","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118519","9.1951","0.0015","12.2939","0.0019","30.429","0.005","90","","98.886","0.003","90","","3398.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cl2 O4 -","- C47 H32 Cl2 O4 -","- C188 H128 Cl8 O16 -","4","1","","Jiye Luo; Xiaomin Xu; Renxin Mao; Qian Miao","Curved Polycyclic Aromatic Molecules That Are π-Isoelectronic to Hexabenzocoronene","Journal of the American Chemical Society","2012","134","","13796","13803","10.1021/ja3054354","","","0.71073","MoKα","","0.2733","0.1001","","","0.2224","0.3112","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118520","10.497","0.003","18.26","0.004","17.011","0.004","90","","107.278","0.003","90","","3113.5","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H104 Ni2 O4 P4 -","- C63 H103 Ni2 O4 P4 -","- C126 H206 Ni4 O8 P8 -","2","0.5","","Kazuma Amaike; Kei Muto; Junichiro Yamaguchi; Kenichiro Itami","Decarbonylative C-H Coupling of Azoles and Aryl Esters: Unprecedented Nickel Catalysis and Application to the Synthesis of Muscoride A","Journal of the American Chemical Society","2012","134","","13573","13576","10.1021/ja306062c","","","0.7107","MoKα","","0.081","0.0672","","","0.1448","0.1539","","","","","","1.138","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118521","9.5549","0.0006","5.8171","0.0004","15.2998","0.001","90","","90","","90","","850.39","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N2 S -","- C3 H4 N2 S -","- C24 H32 N16 S8 -","8","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0255","0.0222","","","0.0586","0.061","","","","","","1.064","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118522","16.434","0.005","11.857","0.003","4.9575","0.0014","90","","90","","90","","966","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 N6 O S -","- C8 H10 N6 O S -","- C32 H40 N24 O4 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0382","0.0304","","","0.0704","0.0738","","","","","","1.037","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118523","7.6821","0.0017","7.8451","0.0018","9.734","0.002","74.717","0.003","85.85","0.003","89.369","0.003","564.4","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C18 H24 N12 O2 S2 -","2","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118524","8.747","0.0011","13.4408","0.0017","9.6495","0.0012","90","","91.723","0.002","90","","1133.9","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C36 H48 N24 O4 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118525","8.8428","0.0016","17.383","0.003","16.123","0.003","90","","90.286","0.003","90","","2478.3","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N6 O S -","- C10 H14 N6 O S -","- C80 H112 N48 O8 S8 -","8","2","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118526","7.6821","0.0002","23.6828","0.0006","9.2228","0.0002","90","","104.395","0.002","90","","1625.26","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H19.67 Cl N6 O3.33 S -","- C11 H19.6667 Cl N6 O3.33333 S -","- C44 H78.6666 Cl4 N24 O13.3333 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0342","0.0274","","","0.068","0.0714","","","","","","1.06","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118527","8.0766","0.0006","8.8227","0.0007","32.654","0.003","90","","90","","90","","2326.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N6 O2.5 S -","- C9 H13 N6 O2.5 S -","- C72 H104 N48 O20 S8 -","8","2","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.03","0.0278","","","0.0683","0.0698","","","","","","1.039","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118528","8.404","0.0009","13.9418","0.0016","11.3521","0.0013","90","","109.896","0.001","90","","1250.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N6 O3 S -","- C9 H14 N6 O3 S -","- C36 H56 N24 O12 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0316","0.0293","","","0.0787","0.0809","","","","","","1.042","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118529","9.732","0.003","15.359","0.004","17.336","0.004","90","","93.691","0.004","90","","2585.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N12 O7 S2 -","- C20 H30 N12 O7 S2 -","- C80 H120 N48 O28 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0879","0.0464","","","0.091","0.1062","","","","","","1.042","","","","has coordinates,has disorder","210883","2020-10-21","18:00:00",""
"4118530","8.7","0.0003","20.0767","0.0008","23.68","0.001","97.662","0.002","91.72","0.002","90.016","0.002","4097.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N6 O4 S -","- C10 H16 N6 O4 S -","- C120 H192 N72 O48 S12 -","12","6","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0692","0.0541","","","0.1501","0.1587","","","","","","1.062","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118531","4.9633","0.0009","10.4159","0.0019","19.941","0.004","90","","93.481","0.003","90","","1029","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C32 H40 N16 O4 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0398","0.0295","","","0.0691","0.074","","","","","","1.042","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118532","6.9855","0.0002","9.2101","0.0003","18.4318","0.0006","90","","90","","90","","1185.85","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O2 S2 -","- C9 H12 N4 O2 S2 -","- C36 H48 N16 O8 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0232","0.0222","","","0.0574","0.0582","","","","","","1.041","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118533","29.688","0.005","29.688","0.005","30.488","0.005","90","0.005","90","0.005","120","0.005","23271","7","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- H97 K Na2 Nb24 O110 -","- K Na2.00667 Nb24 O82 -","- K6 Na12.04 Nb144 O492 -","6","0.5","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.06","0.0435","","","0.1223","0.1289","","","","","","1.093","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118534","12.844","0.005","17.578","0.005","19.973","0.005","84.513","0.005","73.271","0.005","81.818","0.005","4267","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H188 K2 Na2 Nb32 O176 -","- K2 Na2 Nb32 O116 -","- K2 Na2 Nb32 O116 -","1","0.5","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.0768","0.048","","","0.1147","0.1268","","","","","","0.891","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118535","39.2527","0.0014","39.2527","0.0014","106.905","0.007","90","","90","","120","","142649","12","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H298 K12 Nb96 O395 -","- K12.02 Nb96 O300 -","- K144.24 Nb1152 O3600 -","12","0.666667","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.132","0.056","","","0.0921","0.0999","","","","","","1.035","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118536","12.5173","0.0002","19.315","0.0005","16.6447","0.0004","90","","109.649","0.0018","90","","3789.89","0.15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 Cl0.5 I P2 Pt -","- C38 H61 Cl0.5 I P2 Pt -","- C152 H244 Cl2 I4 P8 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.0641","0.0456","","","0.0951","0.1027","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118537","16.286","0.0003","8.9776","0.0002","24.3315","0.0007","90","","94.1696","0.0008","90","","3548.07","0.14","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 Cl2 F3 I P2 Pt -","- C33 H52 Cl2 F3 I P2 Pt -","- C132 H208 Cl8 F12 I4 P8 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.056","0.046","","","0.0872","0.0905","","","","","","1.139","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118538","14.8107","0.0003","20.4279","0.0003","22.5012","0.0005","90","","90","","90","","6807.8","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F6 P2 Pt -","- C32 H48 F6 P2 Pt -","- C256 H384 F48 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.091","0.0507","","","0.0985","0.1099","","","","","","0.982","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118539","16.2512","0.0002","17.3402","0.0002","23.8768","0.0003","90","","90","","90","","6728.46","0.14","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F5 I P2 Pt -","- C32 H48 F5 I P2 Pt -","- C256 H384 F40 I8 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.0466","0.0334","","","0.0772","0.0825","","","","","","1.074","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118540","13.319","0.003","4.0703","0.0008","15.179","0.003","90","","115.49","0.03","90","","742.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Manganese Dibismuth Selenide (1/2/4)","","- Bi2 Mn Se4 -","- Bi2.0002 Mn0.9998 Se4 -","- Bi8.0008 Mn3.9992 Se16 -","4","0.5","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0392","0.0311","","","0.0712","0.0733","","","","","","1.104","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118541","13.384","0.003","4.0925","0.0008","15.224","0.003","90","","115.54","0.03","90","","752.4","0.3","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Manganese Dibismuth Selenide (1/2/4)","","- Bi4 Mn2 Se8 -","- Bi4 Mn2 Se8 -","- Bi8 Mn4 Se16 -","2","0.25","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0312","0.0252","","","0.0576","0.0597","","","","","","1.115","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118542","13.493","0.006","4.126","0.0018","15.322","0.007","90","","115.52","0.008","90","","769.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Manganese Tin Bismuth Selenide (1/3/8/16)","","- Bi8 Mn Se16 Sn3 -","- Bi8 Mn1.04 Se16 Sn2.96 -","- Bi8 Mn1.04 Se16 Sn2.96 -","1","0.125","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0499","0.0497","","","0.1044","0.1045","","","","","","1.356","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118543","12.0233","0.0011","12.6775","0.0012","35.975","0.004","90","","90","","90","","5483.5","0.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","RG3009","","","- C36 H52 F12 N2 O10 Pd3 -","- C36 H52 F12 N2 O10 Pd3 -","- C144 H208 F48 N8 O40 Pd12 -","4","1","","Ramesh Giri; Yu Lan; Peng Liu; K. N. Houk; Jin-Quan Yu","Understanding Reactivity and Stereoselectivity in Palladium-Catalyzed Diastereoselective sp3 C-H Bond Activation: Intermediate Characterization and Computational Studies","Journal of the American Chemical Society","2012","134","","14118","14126","10.1021/ja304643e","","","0.71073","MoKα","","0.0791","0.053","","","0.1517","0.1687","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118544","8.136","0.002","11.03","0.003","17.118","0.004","103.888","0.003","90.285","0.003","101.735","0.003","1457.8","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 B N2 O2 Pt -","- C33 H37 B N2 O2 Pt -","- C66 H74 B2 N4 O4 Pt2 -","2","1","","Zachary M. Hudson; Christina Sun; Michael G. Helander; Yi-Lu Chang; Zheng-Hong Lu; Suning Wang","Highly Efficient Blue Phosphorescence from Triarylboron-Functionalized Platinum(II) Complexes of N-Heterocyclic Carbenes","Journal of the American Chemical Society","2012","134","","13930","13933","10.1021/ja3048656","","","0.71073","MoKα","","0.0322","0.0272","","","0.0628","0.0653","","","","","","1.022","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118545","17.45","0.003","12.563","0.002","13.497","0.002","90","","97.853","0.003","90","","2931.1","0.8","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 B N2 O2 Pt -","- C33 H37 B N2 O2 Pt -","- C132 H148 B4 N8 O8 Pt4 -","4","1","","Zachary M. Hudson; Christina Sun; Michael G. Helander; Yi-Lu Chang; Zheng-Hong Lu; Suning Wang","Highly Efficient Blue Phosphorescence from Triarylboron-Functionalized Platinum(II) Complexes of N-Heterocyclic Carbenes","Journal of the American Chemical Society","2012","134","","13930","13933","10.1021/ja3048656","","","0.71073","MoKα","","0.175","0.0593","","","0.072","0.1","","","","","","0.938","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118546","25.3373","0.0011","14.8267","0.0011","20.4311","0.0011","90","","97.05","0.002","90","","7617.3","0.8","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C82.NiOEP.2toluene 0.6667/0.3333 C3v(7)/Cs(6)","","","- C132 H60 N4 Ni Sm -","- C132 H60 N4 Ni Sm0.9 -","- C528 H240 N16 Ni4 Sm3.6 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.71073","MoKα","","0.0836","0.069","","","0.1607","0.1688","","","","","","1.1","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118547","25.3364","0.0004","15.0718","0.0002","19.7948","0.0003","90","","94.208","0.004","90","","7538.6","0.2","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(5)-C82.Ni(OEP).2benzene","","","- C130 H56 N4 Ni Sm -","- C130.09 H56 N4 Ni Sm -","- C520.36 H224 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.71073","MoKα","","0.0821","0.0678","","","0.1875","0.2036","","","","","","1.032","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118548","25.2726","0.0008","14.9311","0.0005","20.3162","0.0006","90","","96.892","0.002","90","","7610.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C3v(7)C82.NiOEP.2toluene","","","- C132 H60 N4 Ni Sm -","- C132 H60 N4 Ni Sm -","- C528 H240 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.7749","synchrotron","","0.0573","0.0495","","","0.1226","0.1276","","","","","","1.041","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118549","11.0129","0.0007","11.173","0.0007","16.7699","0.001","77.832","0.003","79.183","0.003","61.185","0.002","1758.42","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[SiP3]Co(H2)","","","- C36 H54 Co P3 Si -","- C36 H54 Co P3 Si -","- C72 H108 Co2 P6 Si2 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0548","0.035","","","0.0902","0.0983","","","","","","1.022","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118550","10.894","0.0003","11.4465","0.0003","16.0319","0.0005","91.218","0.001","95.168","0.001","118.102","0.001","1751.68","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TPB)Co(N2)","","","- C36 H54 B Co N2 P3 -","- C36 H54 B Co N2 P3 -","- C72 H108 B2 Co2 N4 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0573","0.0417","","","0.1034","0.1138","","","","","","1.109","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118551","10.8535","0.0005","11.216","0.0005","16.7367","0.0008","91.474","0.002","101.653","0.002","118.93","0.002","1728.21","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(TPB)Co(H2)","","","- C36 H54 B Co P3 -","- C36 H54 B Co P3 -","- C72 H108 B2 Co2 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0486","0.0328","","","0.086","0.0932","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118552","10.8175","0.0006","11.5615","0.0007","15.9277","0.0009","91.488","0.003","97.701","0.003","117.196","0.002","1747.2","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TPB)CoBr","","","- C36 H54 B Br Co P3 -","- C36 H54 B Br Co P3 -","- C72 H108 B2 Br2 Co2 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0545","0.0321","","","0.0718","0.0796","","","","","","1.012","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118553","7.133","0.005","15.809","0.005","9.126","0.005","90","0.005","101.666","0.005","90","0.005","1007.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N O4 -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic Intermolecular C-Alkylation of 1,2-Diketones with Simple Olefins: A Recyclable Directing Group Strategy","Journal of the American Chemical Society","2012","134","","13954","13957","10.1021/ja306123m","","","0.71069","MoKα","","0.0883","0.0544","","","0.1141","0.1284","","","","","","1.084","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118554","6.6812","0.0008","9.6029","0.0014","18.372","0.002","90","","96.333","0.003","90","","1171.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","2","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic Intermolecular C-Alkylation of 1,2-Diketones with Simple Olefins: A Recyclable Directing Group Strategy","Journal of the American Chemical Society","2012","134","","13954","13957","10.1021/ja306123m","","","0.71075","MoKα","","0.0348","0.0332","","","0.0928","0.0941","","","","","","1.105","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118555","13.142","0.0003","14.228","0.0003","14.63","0.0003","76.398","0.001","79.756","0.001","64.152","0.001","2383.96","0.09","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 B4 O12 -","- C112 H104 B4 O12 -","- C112 H104 B4 O12 -","1","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.1091","0.0867","","","0.2301","0.2575","","","","","","0.97","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118556","13.8499","0.0003","13.8499","0.0003","40.504","0.0007","90","","90","","90","","7769.5","0.3","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C88 H80 B4 O12 -","- C88 H80 B4 O12 -","- C352 H320 B16 O48 -","4","0.5","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.0978","0.0852","","","0.2338","0.2564","","","","","","1.096","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118557","13.9058","0.0006","13.9058","0.0006","41.035","0.002","90","","90","","90","","7935","0.6","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C90 H100 B4 O12 -","- C90 H100 B4 O12 -","- C360 H400 B16 O48 -","4","0.5","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.0696","0.0661","","","0.1949","0.2009","","","","","","1.038","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118558","11.5412","0.0002","12.9559","0.0002","14.5534","0.0003","79.051","0.001","87.26","0.001","83.109","0.001","2120.38","0.07","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H76 B4 Cl12 O12 -","- C82 H76 B4 Cl12 O12 -","- C82 H76 B4 Cl12 O12 -","1","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.1265","0.1075","","","0.3012","0.3359","","","","","","1.157","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118559","12.97","0.004","13.166","0.004","13.637","0.004","64.874","0.004","79.21","0.004","88.593","0.005","2067.1","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 B2 Cl6 O6 -","- C40 H36 B2 Cl6 O6 -","- C80 H72 B4 Cl12 O12 -","2","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","0.71075","MoKα","","0.1329","0.0702","","","0.2067","0.2584","","","","","","1.127","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118560","14.3811","0.0003","16.3836","0.0003","16.3956","0.0003","98.414","0.001","112.011","0.001","93.432","0.001","3515.1","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H69 B4 Cl3 O12 -","- C77 H69 B4 Cl3 O12 -","- C154 H138 B8 Cl6 O24 -","2","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.2595","0.1093","","","0.281","0.3968","","","","","","0.968","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118561","8.6294","0.0002","18.2879","0.0005","25.7845","0.0006","90","","90","","90","","4069.14","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N P -","- C28 H20 N P -","- C224 H160 N8 P8 -","8","1","","Alexandra Velian; Christopher C. Cummins","Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene","Journal of the American Chemical Society","2012","134","","13978","13981","10.1021/ja306902j","","","1.54178","CuKα","","0.0381","0.0338","","","0.0853","0.0885","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118562","31.878","0.0016","8.3988","0.0004","15.537","0.0007","90","","102.369","0.002","90","","4063.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N P Si2 -","- C20 H28 N P Si2 -","- C160 H224 N8 P8 Si16 -","8","1","","Alexandra Velian; Christopher C. Cummins","Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene","Journal of the American Chemical Society","2012","134","","13978","13981","10.1021/ja306902j","","","1.54178","CuKα","","0.03","0.0285","","","0.0778","0.0792","","","","","","1.048","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118563","20.1357","0.0005","6.9934","0.0002","14.0398","0.0005","90","","90","","90","","1977.04","0.1","150","","150","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ge16 K14 Zn -","- Ge16 K14 Zn -","- Ge32 K28 Zn2 -","2","0.5","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","x-ray","0.71073","MoKα","","0.0168","0.0138","","","0.0186","0.0189","","","","","","0.97","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118564","20.8718","0.0006","7.2103","0.0002","14.4434","0.0004","90","","90","","90","","2173.62","0.11","150","","150","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ge16 Rb14 Zn -","- Ge16 Rb14 Zn -","- Ge32 Rb28 Zn2 -","2","0.5","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","x-ray","0.71073","MoKα","","0.013","0.0119","","","0.0227","0.0229","","","","","","1.031","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118565","13.5093","0.0006","15.8892","0.0007","17.7605","0.0008","98.23","0.004","111.166","0.004","107.105","0.004","3262.2","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H92.5 Cu2 Ge4 K4 N7.5 O12 -","- C42 H70 Cu2 Ge4 K4 N7.5 O12 -","- C84 H140 Cu4 Ge8 K8 N15 O24 -","2","1","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","","0.71073","MoKα","","0.0861","0.0453","","","0.0998","0.1079","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118566","11.7349","0.0019","15.925","0.003","19.034","0.003","99.153","0.004","103.775","0.004","105.18","0.003","3239.8","1","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C36.5 H37 Cl3 -","- C36.5 H37 Cl3 -","- C146 H148 Cl12 -","4","2","","Zebing Zeng; Young Mo Sung; Nina Bao; Davin Tan; Richmond Lee; José L. Zafra; Byung Sun Lee; Masatoshi Ishida; Jun Ding; Juan T. López Navarrete; Yuan Li; Wangdong Zeng; Dongho Kim; Kuo-Wei Huang; Richard D. Webster; Juan Casado; Jishan Wu","Stable Tetrabenzo-Chichibabin's Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms","Journal of the American Chemical Society","2012","134","","14513","14525","10.1021/ja3050579","","","0.71073","MoKα","","0.1688","0.1258","","","0.3284","0.3605","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118567","12.2925","0.0012","13.3514","0.0012","15.382","0.0014","93.191","0.002","103.43","0.002","114.838","0.002","2194.5","0.4","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H44 Sn3 -","- C52 H44 Sn3 -","- C104 H88 Sn6 -","2","1","","Zebing Zeng; Young Mo Sung; Nina Bao; Davin Tan; Richmond Lee; José L. Zafra; Byung Sun Lee; Masatoshi Ishida; Jun Ding; Juan T. López Navarrete; Yuan Li; Wangdong Zeng; Dongho Kim; Kuo-Wei Huang; Richard D. Webster; Juan Casado; Jishan Wu","Stable Tetrabenzo-Chichibabin's Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms","Journal of the American Chemical Society","2012","134","","14513","14525","10.1021/ja3050579","","","0.71073","MoKα","","0.0355","0.0306","","","0.0724","0.0746","","","","","","1.03","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118568","9.174","0.0005","11.6435","0.0007","14.04","0.0008","97.747","0.001","90.571","0.001","110.556","0.001","1388.76","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 D3 N O3 -","- C40 H27 N O3 -","- C80 H54 N2 O6 -","2","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0516","0.0422","","","0.1108","0.1163","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118569","11.9615","0.0005","27.1593","0.0012","22.5319","0.001","90","","100.653","0.001","90","","7193.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C95 H72 N4 O9 -","- C95 H72 N4 O9 -","- C380 H288 N16 O36 -","4","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0506","0.0404","","","0.0904","0.0963","","","","","","1.04","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118570","9.1805","0.0005","11.6505","0.0007","14.0879","0.0008","97.99","0.001","90.37","0.001","110.481","0.001","1395.39","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 N O3 -","- C40 H27 N O3 -","- C80 H54 N2 O6 -","2","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0506","0.0452","","","0.113","0.117","","","","","","1.053","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118571","11.6211","0.0005","25.3321","0.0012","8.6027","0.0004","90","","103.675","0.0018","90","","2460.7","0.2","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl3 N3 Pd -","- C28 H24 Cl3 N3 Pd -","- C112 H96 Cl12 N12 Pd4 -","4","1","","Lei Jiao; Eberhardt Herdtweck; Thorsten Bach","Pd(II)-Catalyzed Regioselective 2-Alkylation of Indoles via a Norbornene-Mediated C-H Activation: Mechanism and Applications","Journal of the American Chemical Society","2012","134","","14563","14572","10.1021/ja3058138","","","0.71073","MoKα","","0.0176","0.0171","","","0.0432","0.0435","","","","","","1.085","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118572","21.5869","0.0006","14.9231","0.0004","39.6876","0.0012","90","","90.478","0.002","90","","12784.7","0.6","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C71 H98.12 Ge2 -","- C71 H98.12 Ge2 -","- C568 H784.96 Ge16 -","8","1","","Owen T. Summerscales; Christine A. Caputo; Caroline E. Knapp; James C. Fettinger; Philip P. Power","The Role of Group 14 Element Hydrides in the Activation of C-H Bonds in Cyclic Olefins","Journal of the American Chemical Society","2012","134","","14595","14603","10.1021/ja305853d","","","1.54178","CuKα","","0.0521","0.0486","","","0.1342","0.1368","","","","","","1.054","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118573","20.5795","0.0016","13.4167","0.001","22.7242","0.0017","90","","109.826","0.002","90","","5902.5","0.8","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C69.5 H92 Ge2 -","- C69.5 H92 Ge2 -","- C278 H368 Ge8 -","4","1","","Owen T. Summerscales; Christine A. Caputo; Caroline E. Knapp; James C. Fettinger; Philip P. Power","The Role of Group 14 Element Hydrides in the Activation of C-H Bonds in Cyclic Olefins","Journal of the American Chemical Society","2012","134","","14595","14603","10.1021/ja305853d","","","1.54178","CuKα","","0.0283","0.0282","","","0.0737","0.0738","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118574","5.2815","0.0002","14.9489","0.0004","8.7463","0.0003","90","","91.692","0.002","90","","690.24","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O3 S -","- C4 H11 N O3 S -","- C16 H44 N4 O12 S4 -","4","1","","Xianqi Kong; Luke A. O'Dell; Victor Terskikh; Eric Ye; Ruiyao Wang; Gang Wu","Variable-Temperature 17O NMR Studies Allow Quantitative Evaluation of Molecular Dynamics in Organic Solids","Journal of the American Chemical Society","2012","134","","14609","14617","10.1021/ja306227p","","","0.71073","MoKα","","0.0375","0.0306","","","0.0789","0.0832","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118575","23.443","0.005","12.578","0.003","18.292","0.004","90","","116.908","0.003","90","","4809.7","1.9","163","2","163","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C47 H58 B Cu N2 O2 -","- C47 H58 B Cu N2 O2 -","- C188 H232 B4 Cu4 N8 O8 -","4","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.0462","0.0411","","","0.0872","0.0895","","","","","","0.984","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118576","10.384","0.002","24.651","0.006","18.961","0.004","90","","97.555","0.004","90","","4811.4","1.8","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 B Cu N2 O4 -","- C48 H58 B Cu N2 O4 -","- C192 H232 B4 Cu4 N8 O16 -","4","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.0673","0.0463","","","0.1028","0.1097","","","","","","1.03","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118577","13.943","0.007","20.195","0.01","10.094","0.005","90","","99.507","0.011","90","","2803","2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 B2 Li2 O12 -","- C58 H76 B2 Li2 O12 -","- C116 H152 B4 Li4 O24 -","2","0.5","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.1442","0.0779","","","0.1989","0.2427","","","","","","1.043","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118578","47.51","0.007","17.784","0.003","19.386","0.003","90","","92.437","0.003","90","","16365","4","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H104 B4 Li4 O20 -","- C76 H104 B4 Li4 O20 -","- C608 H832 B32 Li32 O160 -","8","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.1608","0.0762","","","0.1534","0.1742","","","","","","1.098","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118579","24.428","0.004","27.216","0.004","12.0685","0.0018","90","","90","","90","","8024","2","100","2","100","2","","","","","","","synthesis as described","5","C 2 2 2","C 2 2","21","","","","- C36 H37 Au Cl N3 -","- C36 H37 Au Cl N3 -","- C288 H296 Au8 Cl8 N24 -","8","1","","Javier Francos; Francisca Grande-Carmona; Hélio Faustino; Javier Iglesias-Sigüenza; Elena Díez; Isaac Alonso; Rosario Fernández; José M. Lassaletta; Fernando López; José L. Mascareñas","Axially Chiral Triazoloisoquinolin-3-ylidene Ligands in Gold(I)-Catalyzed Asymmetric Intermolecular (4 + 2) Cycloadditions of Allenamides and Dienes","Journal of the American Chemical Society","2012","134","","14322","14325","10.1021/ja3065446","","x-ray","0.7107","MoKα","","0.0385","0.0324","","","0.0669","0.069","","","","","","1.055","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118580","6.4097","0.0011","8.1406","0.0013","27.146","0.004","90","","90","","90","","1416.4","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Javier Francos; Francisca Grande-Carmona; Hélio Faustino; Javier Iglesias-Sigüenza; Elena Díez; Isaac Alonso; Rosario Fernández; José M. Lassaletta; Fernando López; José L. Mascareñas","Axially Chiral Triazoloisoquinolin-3-ylidene Ligands in Gold(I)-Catalyzed Asymmetric Intermolecular (4 + 2) Cycloadditions of Allenamides and Dienes","Journal of the American Chemical Society","2012","134","","14322","14325","10.1021/ja3065446","","x-ray","0.7107","MoKα","","0.0311","0.0249","","","0.0512","0.0535","","","","","","1.008","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118581","5.76968","0.00013","12.3217","0.0003","26.6953","0.0006","90","","90","","90","","1897.83","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 I N O2 -","- C18 H16 Br2 I N O2 -","- C72 H64 Br8 I4 N4 O8 -","4","1","","Fengtao Zhou; Jiajia Guo; Jianguang Liu; Ke Ding; Shouyun Yu; Qian Cai","Copper-Catalyzed Desymmetric Intramolecular Ullmann C-N Coupling: An Enantioselective Preparation of Indolines","Journal of the American Chemical Society","2012","134","","14326","14329","10.1021/ja306631z","","","1.54184","CuKα","","0.0695","0.0682","","","0.1542","0.1567","","","","","","1.123","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118582","19.92","0.0006","21.47","0.0008","8.248","0.0003","90","","107.608","0.0019","90","","3362.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","","- C24 H26 Ba O12 P4 -","- C24 H26 Ba O12 P4 -","- C96 H104 Ba4 O48 P16 -","4","0.5","","Jared M. Taylor; Ramanathan Vaidhyanathan; Simon S. Iremonger; George K. H. Shimizu","Enhancing Water Stability of Metal-Organic Frameworks via Phosphonate Monoester Linkers","Journal of the American Chemical Society","2012","134","","14338","14340","10.1021/ja306812r","","","0.71073","MoKα","","0.0438","0.0393","","","0.1039","0.1143","","","","","","1.173","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118583","20.18","0.002","21.212","0.002","8.3079","0.0008","90","","107.612","0.006","90","","3389.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","","- C24 H26 Ba O12 P4 -","- C24 H26 Ba O12 P4 -","- C96 H104 Ba4 O48 P16 -","4","0.5","","Jared M. Taylor; Ramanathan Vaidhyanathan; Simon S. Iremonger; George K. H. Shimizu","Enhancing Water Stability of Metal-Organic Frameworks via Phosphonate Monoester Linkers","Journal of the American Chemical Society","2012","134","","14338","14340","10.1021/ja306812r","","","1.54178","CuKα","","0.0453","0.0435","","","0.1124","0.1143","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118584","11.865","0.003","16.434","0.003","17.172","0.004","90","","104.573","0.003","90","","3240.6","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H58 B N O2 P2 Ru -","- C29 H58 B N O2 P2 Ru -","- C116 H232 B4 N4 O8 P8 Ru4 -","4","2","","Chidambaram Gunanathan; Markus Hölscher; Fangfang Pan; Walter Leitner","Ruthenium Catalyzed Hydroboration of Terminal Alkynes toZ-Vinylboronates","Journal of the American Chemical Society","2012","134","","14349","14352","10.1021/ja307233p","","","0.71073","MoKα","","0.0317","0.0295","","","0.0714","0.073","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118585","8.0095","0.0012","7.7557","0.0012","9.8426","0.0014","90","","108.16","0.002","90","","580.96","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl2 Cs2 Hg I2 -","- Cl2 Cs2 Hg I2 -","- Cl4 Cs4 Hg2 I4 -","2","1","","Gang Zhang; Yanjun Li; Kui Jiang; Huiyi Zeng; Tao Liu; Xingguo Chen; Jingui Qin; Zheshuai Lin; Peizhen Fu; Yicheng Wu; Chuangtian Chen","A New Mixed Halide, Cs2HgI2Cl2: Molecular Engineering for a New Nonlinear Optical Material in the Infrared Region","Journal of the American Chemical Society","2012","134","","14818","14822","10.1021/ja3037299","","","0.71073","MoKα","","0.0433","0.035","","","0.0945","0.1167","","","","","","1.123","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118586","18.548","0.006","19.178","0.006","13.92","0.005","90","","122.838","0.004","90","","4160","2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Si2 -","- C52 H60 Si2 -","- C208 H240 Si8 -","4","0.5","","Yuan Li; Wee-Kuan Heng; Byung Sun Lee; Naoki Aratani; José L. Zafra; Nina Bao; Richmond Lee; Young Mo Sung; Zhe Sun; Kuo-Wei Huang; Richard D. Webster; Juan T. López Navarrete; Dongho Kim; Atsuhiro Osuka; Juan Casado; Jun Ding; Jishan Wu","Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?","Journal of the American Chemical Society","2012","134","","14913","14922","10.1021/ja304618v","","","0.71073","MoKα","","0.0609","0.048","","","0.13","0.1398","","","","","","1.039","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118587","8.41","0.003","9.846","0.004","14.02","0.006","73.046","0.005","77.078","0.005","87.083","0.005","1082.2","0.7","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H58 Si2 -","- C54 H58 Si2 -","- C54 H58 Si2 -","1","0.5","","Yuan Li; Wee-Kuan Heng; Byung Sun Lee; Naoki Aratani; José L. Zafra; Nina Bao; Richmond Lee; Young Mo Sung; Zhe Sun; Kuo-Wei Huang; Richard D. Webster; Juan T. López Navarrete; Dongho Kim; Atsuhiro Osuka; Juan Casado; Jun Ding; Jishan Wu","Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?","Journal of the American Chemical Society","2012","134","","14913","14922","10.1021/ja304618v","","","0.71073","MoKα","","0.0401","0.0345","","","0.0893","0.0947","","","","","","1.042","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118588","12.5729","0.0019","12.5729","0.0019","25.944","0.008","90","","90","","90","","4101.2","1.5","298","2","298","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C42 H42 Ho4 N2 O24 -","- C42 H28 Ho4 N2 O24 -","- C84 H56 Ho8 N4 O48 -","2","0.25","","Pengyan Wu; Cheng He; Jian Wang; Xiaojun Peng; Xuezhao Li; Yonglin An; Chunying Duan","Photoactive Chiral Metal-Organic Frameworks for Light-Driven Asymmetric α-Alkylation of Aldehydes","Journal of the American Chemical Society","2012","134","","14991","14999","10.1021/ja305367j","","","0.71073","MoKα","","0.1064","0.0664","","","0.1692","0.1908","","","","","","1.017","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118589","9.789","0.014","22.29","0.03","16.53","0.02","90","","91.75","0.03","90","","3605","8","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H36 N4 O10 Zn2 -","- C34 H33 N4 O10 Zn2 -","- C136 H132 N16 O40 Zn8 -","4","2","","Pengyan Wu; Cheng He; Jian Wang; Xiaojun Peng; Xuezhao Li; Yonglin An; Chunying Duan","Photoactive Chiral Metal-Organic Frameworks for Light-Driven Asymmetric α-Alkylation of Aldehydes","Journal of the American Chemical Society","2012","134","","14991","14999","10.1021/ja305367j","","","0.71073","MoKα","","0.1527","0.0734","","","0.1544","0.1866","","","","","","1.004","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118590","64.528","0.01","64.528","0.01","64.528","0.01","90","","90","","90","","268686","7","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C22 H8 Cu O4 -","- C22 H8 Cu O4 -","- C2112 H768 Cu96 O384 -","96","0.5","","Omar K. Farha; Ibrahim Eryazici; Nak Cheon Jeong; Brad G. Hauser; Christopher E. Wilmer; Amy A. Sarjeant; Randall Q. Snurr; SonBinh T. Nguyen; A. Özgür Yazaydin; Joseph T. Hupp","Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?","Journal of the American Chemical Society","2012","134","","15016","15021","10.1021/ja3055639","","","1.54178","CuKα","","0.1568","0.1083","","","0.2648","0.2896","","","","","","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118591","68.706","0.01","68.706","0.01","68.706","0.01","90","","90","","90","","324328","8","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C26 H12 Cu O4 -","- C26 H12 Cu O4 -","- C2496 H1152 Cu96 O384 -","96","0.5","","Omar K. Farha; Ibrahim Eryazici; Nak Cheon Jeong; Brad G. Hauser; Christopher E. Wilmer; Amy A. Sarjeant; Randall Q. Snurr; SonBinh T. Nguyen; A. Özgür Yazaydin; Joseph T. Hupp","Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?","Journal of the American Chemical Society","2012","134","","15016","15021","10.1021/ja3055639","","","1.54178","CuKα","","0.2099","0.1375","","","0.3233","0.3728","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118592","8.3972","0.0006","17.4245","0.0012","24.1671","0.0016","90","","90","","90","","3536.1","0.4","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 Cl N O2 P Rh -","- C41 H44 Cl N O2 P Rh -","- C164 H176 Cl4 N4 O8 P4 Rh4 -","4","1","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","0.71073","MoKα","","0.0373","0.0305","","","0.0609","0.0632","","","","","","1.009","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118593","10.0136","0.0005","10.1157","0.0005","10.9568","0.0005","108.517","0.002","101.863","0.002","115.104","0.002","874.95","0.08","147","2","147","2","","","","","","","","3","P 1","P 1","1","","","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","2","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","1.54178","CuKα","","0.0476","0.0441","","","0.1238","0.1265","","","","","","1.075","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118594","11.8304","0.0003","11.6976","0.0003","13.0197","0.0003","90","","103.232","0.001","90","","1753.93","0.08","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H44 Cl N O2 P Rh -","- C41 H44 Cl N O2 P Rh -","- C82 H88 Cl2 N2 O4 P2 Rh2 -","2","1","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","0.71073","MoKα","","0.0236","0.0219","","","0.0513","0.0521","","","","","","1.044","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118595","12.696","0.004","16.77","0.005","20.084","0.006","83.628","0.01","86.485","0.01","82.299","0.009","4207","2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H53 B N2 -","- C52 H53 B N2 -","- C208 H212 B4 N8 -","4","2","","Dawei Tian; Jiang Jiang; Hongfan Hu; Jianying Zhang; Chunming Cui","One-Step Access to Luminescent Pentaaryldiazaboroles via C-C Double Bond Formation from Imidoylstannanes","Journal of the American Chemical Society","2012","134","","14666","14669","10.1021/ja305806r","","","0.71073","MoKα","","0.0902","0.0526","","","0.1016","0.1154","","","","","","1.004","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118596","40.65","0.011","10.558","0.003","22.039","0.006","90","","111.716","0.005","90","","8787","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H47 B F6 N2 -","- C46 H47 B F6 N2 -","- C368 H376 B8 F48 N16 -","8","1","","Dawei Tian; Jiang Jiang; Hongfan Hu; Jianying Zhang; Chunming Cui","One-Step Access to Luminescent Pentaaryldiazaboroles via C-C Double Bond Formation from Imidoylstannanes","Journal of the American Chemical Society","2012","134","","14666","14669","10.1021/ja305806r","","","0.71073","MoKα","","0.0658","0.0519","","","0.137","0.1458","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118597","9.837","0.008","9.489","0.008","10.72","0.009","90","","107.12","0.013","90","","956.3","1.4","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 D20 -","- C26 D20 -","- C52 D40 -","2","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0683","0.044","","","0.1095","0.1224","","","","","","1.072","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118598","9.8224","0.0011","9.6","0.0011","10.672","0.0012","90","","106.837","0.002","90","","963.18","0.19","373","2","373","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 D20 -","- C26 D20 -","- C52 D40 -","2","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0557","0.039","","","0.1067","0.1159","","","","","","1.089","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118599","26.446","0.002","13.7337","0.0011","17.5302","0.0015","90","","126.487","0.002","90","","5119","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 D8 N2 O6 Zn -","- C25 H11 D8 N2 O6 Zn -","- C200 H88 D64 N16 O48 Zn8 -","8","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0908","0.0697","","","0.2031","0.2207","","","","","","1.072","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118600","13.531","0.003","18.291","0.004","22.172","0.006","90","","90","","90","","5487","2","373","2","373","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C20 H11 D8 N O5 Zn -","- C20 D8 N O5 Zn -","- C160 D64 N8 O40 Zn8 -","8","0.5","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.1083","0.0707","","","0.2366","0.2764","","","","","","1.09","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118601","12.9363","0.0008","10.1434","0.0005","24.9315","0.0014","90","","98.832","0.003","90","","3232.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C152 H136 N8 O16 S8 -","8","2","","Nicklas Selander; Brady T. Worrell; Stepan Chuprakov; Subash Velaparthi; Valery V. Fokin","Arylation of Rhodium(II) Azavinyl Carbenes with Boronic Acids","Journal of the American Chemical Society","2012","134","","14670","14673","10.1021/ja3062453","","","0.71073","MoKα","","0.0671","0.0485","","","0.1056","0.1135","","","","","","1.011","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118602","32.6003","0.0011","32.6003","0.0011","32.6003","0.0011","90","","90","","90","","34647","2","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C264 H168 O64 Zr12 -","- C264 H168 O64 Zr12 -","- C528 H336 O128 Zr24 -","2","0.0104167","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.1276","0.0552","","","0.1216","0.1422","","","","","","0.941","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118603","32.657","0.019","32.657","0.019","32.657","0.019","90","","90","","90","","34828","4","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H48 O16 Zr3 -","- C72 H48 O16 Zr3 -","- C576 H384 O128 Zr24 -","8","0.0416667","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.1438","0.0913","","","0.2218","0.2433","","","","","","0.962","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118604","32.6919","0.0014","32.6919","0.0014","32.6919","0.0014","90","","90","","90","","34940","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C66 H36 N18 O16 Zr3 -","- C72 H36 N18 O16 Zr3 -","- C576 H288 N144 O128 Zr24 -","8","0.0416667","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.0659","0.0476","","","0.1361","0.1453","","","","","","1.05","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118605","17.5796","0.0005","18.0261","0.0005","18.1007","0.0006","118.07","0.003","94.307","0.002","110.248","0.003","4548.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 H158 Au20 Cl10 N20 O8 P10 -","- C166 H134 Au20 Cl10 N20 O8 P10 -","- C166 H134 Au20 Cl10 N20 O8 P10 -","1","0.5","","Xian-Kai Wan; Zhi-Wei Lin; Quan-Ming Wang","Au20 Nanocluster Protected by Hemilabile Phosphines","Journal of the American Chemical Society","2012","134","","14750","14752","10.1021/ja307256b","","","0.71073","MoKα","","0.1412","0.0719","","","0.1308","0.1651","","","","","","1.032","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118606","10.6246","0.0003","11.5766","0.0003","33.387","0.002","90","","90","","90","","4106.5","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,4aR,5aS,9aR,10R,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C192 H208 O40 -","8","2","","Min Huang; Pascal Retailleau; Luis Bohé; David Crich","Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion","Journal of the American Chemical Society","2012","134","","14746","14749","10.1021/ja307266n","","","1.54187","CuKα","","0.0652","0.0401","","","0.0889","0.1178","","","","","","1.132","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118607","15.406","0.003","28.983","0.005","4.5886","0.0009","90","","90","","90","","2048.9","0.7","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(2R,4aR,5aR,9aS,10S,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Min Huang; Pascal Retailleau; Luis Bohé; David Crich","Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion","Journal of the American Chemical Society","2012","134","","14746","14749","10.1021/ja307266n","","","1.54187","CuKα","","0.1072","0.0741","","","0.1442","0.1735","","","","","","0.999","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118608","19.5003","0.001","10.581","0.0005","14.9192","0.0008","90","","104.811","0.001","90","","2976","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.91 H27.86 Cl0.05 O3.91 Ru -","- C38.906 H27.859 Cl0.047 O3.906 Ru -","- C155.624 H111.436 Cl0.188 O15.624 Ru4 -","4","1","","Sarah Yunmi Lee; Jaclyn M. Murphy; Atsushi Ukai; Gregory C. Fu","Nonenzymatic Dynamic Kinetic Resolution of Secondary Alcohols via Enantioselective Acylation: Synthetic and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","15149","15153","10.1021/ja307425g","","","0.71073","MoKα","","0.0234","0.0212","","","0.0548","0.0564","","","","","","1.057","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118609","14.3602","0.0003","12.081","0.0002","15.8793","0.0003","90","","100.891","0.0009","90","","2705.21","0.09","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H78 N6 Ni2 -","- C58 H78 N6 Ni2 -","- C116 H156 N12 Ni4 -","2","0.5","","Ryan M. Stolley; Hung A. Duong; David R. Thomas; Janis Louie","The Discovery of [Ni(NHC)RCN]2 Species and Their Role as Cycloaddition Catalysts for the Formation of Pyridines","Journal of the American Chemical Society","2012","134","","15154","15162","10.1021/ja3075924","","","0.71073","MoKα","","0.0606","0.0411","","","0.0976","0.1085","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118610","11.2679","0.0002","12.7149","0.0003","23.5803","0.0005","103.003","0.0012","93.2032","0.0013","99.1686","0.0011","3234.86","0.12","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 F6 N6 Ni2 -","- C70 H80 F6 N6 Ni2 -","- C140 H160 F12 N12 Ni4 -","2","1","","Ryan M. Stolley; Hung A. Duong; David R. Thomas; Janis Louie","The Discovery of [Ni(NHC)RCN]2 Species and Their Role as Cycloaddition Catalysts for the Formation of Pyridines","Journal of the American Chemical Society","2012","134","","15154","15162","10.1021/ja3075924","","","0.71073","MoKα","","0.09","0.0486","","","0.0968","0.1126","","","","","","1.017","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118611","7.5455","0.0003","14.4979","0.0006","17.2744","0.0008","90","","90","","90","","1889.71","0.14","100","","100","","","","","","","","dichloromethane/hexane","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C88 H100 N4 O8 S4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0269","0.0266","","","0.0679","0.0681","","","","","","1.092","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118612","5.2727","0.0003","8.7836","0.0004","28.3603","0.0013","90","","90","","90","","1313.46","0.11","100","","100","","","","","","","","dichloromethane,hexane","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 S -","- C13 H14 Br N O2 S -","- C52 H56 Br4 N4 O8 S4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54184","Cu-Kα","","0.0196","0.0196","","","0.0491","0.0491","","","","","","1.129","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118613","8.2326","0.0002","9.9596","0.0003","12.9633","0.0004","90","","101.47","0.001","90","","1041.68","0.05","100","","100","","","","","","","","dichloromethane/heptane","4","P 1 21 1","P 2yb","4","","23p","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C54 H46 Br2 O4 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0297","0.0286","","","0.0696","0.0701","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118614","9.0137","0.0013","11.1334","0.0016","11.4146","0.0016","105.241","0.003","101.586","0.003","98.3","0.003","1058.9","0.3","100","","100","","","","","","","","dichloromethane,hexane","4","P -1","-P 1","2","","","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C54 H46 Br2 O4 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.026","0.026","","","0.0654","0.0654","","","","","","1.078","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118615","8.6829","0.001","12.0278","0.0013","20.525","0.002","96.907","0.002","93.178","0.002","102.549","0.002","2069.8","0.4","100","","100","","","","","","","","dichlormethane,hexane","4","P -1","-P 1","2","","31m","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C108 H92 Br4 O8 -","4","2","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0596","0.0393","","","0.0892","0.0969","","","","","","1.019","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118616","24.467","0.0011","7.0733","0.0003","15.2093","0.0007","90","","122.791","0.002","90","","2212.73","0.18","100","","100","","","","","","","","pentane/dichloromethane/acetonitrile","5","C 1 2 1","C 2y","5","","(3,5-dinitro)-(3-(2,2-dimethylvinyl)-4,6-dimethoxy-2,3-dihydroindolyl)methanone","","- C87 H89 Cl2 N13 O28 -","- C87 H89 Cl2 N13 O28 -","- C87 H89 Cl2 N13 O28 -","1","0.25","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0625","0.0614","","","0.1696","0.1712","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118617","11.3398","0.0015","20.632","0.003","24.048","0.003","90","","90","","90","","5626.3","1.3","100","","100","","","","","","","","hexane","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 Au Cl N O4 P -","- C62 H78 Au Cl N O4 P -","- C248 H312 Au4 Cl4 N4 O16 P4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0895","0.0446","","","0.0832","0.1004","","","","","","1.048","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118618","12.383","0.003","14.152","0.004","16.719","0.004","90","","111.16","0.004","90","","2732.4","1.2","100","","100","","","","","","","","acetonitrile,diethylether,pentane","7","P 1 21 1","P 2yb","4","","","","- C66 H60 Au Cl N3 O4 P -","- C66 H60 Au Cl N3 O4 P -","- C132 H120 Au2 Cl2 N6 O8 P2 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0397","0.0321","","","0.0768","0.0802","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118619","10.075","0.0002","16.2784","0.0003","17.9427","0.0003","107.578","0.0014","96.7864","0.0012","102.579","0.0012","2683.91","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H55 O6 -","- C75 H55 O6 -","- C150 H110 O12 -","2","1","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0511","0.0412","","","0.1025","0.1099","","","","","","1.034","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118620","8.5507","0.0002","17.9987","0.0004","16.5702","0.0004","90","","100.065","0.002","90","","2510.93","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 O3 -","- C36 H22 O3 -","- C144 H88 O12 -","4","1","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.04","0.0384","","","0.0962","0.0979","","","","","","1.03","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118621","16.7208","0.0003","8.1057","0.0002","36.3982","0.0007","90","","102.939","0.001","90","","4807.93","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H62 Si2 -","- C58 H62 Si2 -","- C232 H248 Si8 -","4","2","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0323","0.031","","","0.0817","0.0828","","","","","","1.06","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118622","19.4446","0.0004","8.0797","0.0002","20.5841","0.0004","90","","109.916","0.001","90","","3040.49","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H74 Si2 -","- C80 H74 Si2 -","- C160 H148 Si4 -","2","0.5","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0485","0.0447","","","0.1194","0.1238","","","","","","1.031","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118623","36.332","0.005","36.332","0.005","15.208","0.003","90","","90","","90","","20075","6","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H180 Cu6 Mn4 N12 Na4 O96 -","- C78 H60 Cu6 Mn4 N12 Na4 O96 -","- C312 H240 Cu24 Mn16 N48 Na16 O384 -","4","0.25","","Jesús Ferrando-Soria; Pablo Serra-Crespo; Martijn de Lange; Jorge Gascon; Freek Kapteijn; Miguel Julve; Joan Cano; Francesc Lloret; Jorge Pasán; Catalina Ruiz-Pérez; Yves Journaux; Emilio Pardo","Selective Gas and Vapor Sorption and Magnetic Sensing by an Isoreticular Mixed-Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","15301","15304","10.1021/ja3045822","","","0.7385","","","0.1911","0.1906","","","0.5535","0.5536","","","","","","2.87","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118624","7.8833","0.0009","9.5197","0.001","9.8399","0.0011","96.954","0.002","102.101","0.001","106.323","0.001","680.07","0.13","153","1","153","1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 P6 -","- C28 H28 P6 -","- C28 H28 P6 -","1","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.031","0.0278","","","0.0729","0.075","","","","","","1.054","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118625","14.8647","0.0005","13.8772","0.0005","19.5756","0.0007","90","","110.079","0.001","90","","3792.6","0.2","153","1","153","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Fe2 O8 P6 -","- C36 H28 Fe2 O8 P6 -","- C144 H112 Fe8 O32 P24 -","4","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.0314","0.0243","","","0.0575","0.0608","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118626","13.1401","0.0015","15.312","0.002","10.2692","0.0012","90","","94.958","0.004","90","","2058.4","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 P8 -","- C42 H42 P8 -","- C84 H84 P16 -","2","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.1025","0.0565","","","0.1225","0.1398","","","","","","1.019","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118627","10.175","0.0003","11.2802","0.0004","11.3973","0.0004","87.896","0.002","74.343","0.002","67.681","0.002","1162.05","0.07","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C22 H24 Br I N4 O3 -","- C22 H24 Br I N4 O3 -","- C44 H48 Br2 I2 N8 O6 -","2","1","","Dmitrijs Lubriks; Igors Sokolovs; Edgars Suna","Indirect C-H Azidation of Heterocycles via Copper-Catalyzed Regioselective Fragmentation of Unsymmetrical λ3-Iodanes","Journal of the American Chemical Society","2012","134","","15436","15442","10.1021/ja305574k","","","0.71073","MoKα","","0.078","0.051","","0.194","0.137","0.125","","","2.245","2.016","2.016","1.98","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4118628","7.7822","0.0003","12.3633","0.0005","12.6194","0.0006","92.675","0.002","94.9141","0.0014","97.142","0.002","1198.29","0.09","193","","193","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C42 H46 Br2 I2 N8 O7 -","- C42 H46 Br2 I2 N8 O7 -","- C42 H46 Br2 I2 N8 O7 -","1","0.5","","Dmitrijs Lubriks; Igors Sokolovs; Edgars Suna","Indirect C-H Azidation of Heterocycles via Copper-Catalyzed Regioselective Fragmentation of Unsymmetrical λ3-Iodanes","Journal of the American Chemical Society","2012","134","","15436","15442","10.1021/ja305574k","","","0.71073","MoKα","","0.1376","0.0791","","","0.1915","0.251","","","","","","1.438","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118629","16.9301","0.0004","12.074","0.0004","24.2248","0.0007","90","","99.155","0.002","90","","4888.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P S Si6 U -","- C37 H72 N3 P S Si6 U -","- C148 H288 N12 P4 S4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.0629","0.0342","","","0.0634","0.0712","","","","","","0.994","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118630","16.9733","0.0004","12.0775","0.0004","24.2638","0.0007","90","","99.525","0.002","90","","4905.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P Se Si6 U -","- C37 H72 N3 P Se Si6 U -","- C148 H288 N12 P4 Se4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.071","0.0555","","","0.1334","0.1399","","","","","","1.339","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118631","17.154","0.0004","12.0776","0.0003","24.4001","0.0006","90","","100.31","0.001","90","","4973.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P Si6 Te U -","- C37 H72 N3 P Si6 Te U -","- C148 H288 N12 P4 Si24 Te4 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.0634","0.0354","","","0.0632","0.0712","","","","","","1.001","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118632","19.8951","0.0015","14.027","0.001","20.5125","0.0013","90","","115.802","0.004","90","","5153.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H84 Co N3 O Si6 U -","- C38 H84 Co N3 O Si6 U -","- C152 H336 Co4 N12 O4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.072","0.0461","","","0.0917","0.0986","","","","","","1.115","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118633","14.0164","0.0016","7.1162","0.0008","29.169","0.003","90","","98.685","0.001","90","","2876.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C136 H88 B8 F16 N32 -","8","1","","Yin Yang; Russell P. Hughes; Ivan Aprahamian","Visible Light Switching of a BF2-Coordinated Azo Compound","Journal of the American Chemical Society","2012","134","","15221","15224","10.1021/ja306030d","","x-ray","0.71073","MoKα","","0.047","0.0358","","","0.0817","0.0874","","","","","","1.039","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118634","4.8728","0.0001","23.4575","0.0006","12.785","0.0003","90","","91.338","0.002","90","","1460.97","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C68 H44 B4 F8 N16 -","4","1","","Yin Yang; Russell P. Hughes; Ivan Aprahamian","Visible Light Switching of a BF2-Coordinated Azo Compound","Journal of the American Chemical Society","2012","134","","15221","15224","10.1021/ja306030d","","x-ray","1.54178","CuKα","","0.0822","0.0512","","","0.0885","0.1008","","","","","","1.024","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118635","10.281","0.004","11.029","0.004","12.894","0.004","90","","112.791","0.005","90","","1347.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cr O3 -","- C16 H12 Cr O3 -","- C64 H48 Cr4 O12 -","4","1","","Deven P. Estes; Jack R. Norton; Steffen Jockusch; Wesley Sattler","Mechanisms by which Alkynes React with CpCr(CO)3H. Application to Radical Cyclization","Journal of the American Chemical Society","2012","134","","15512","15518","10.1021/ja306120n","","","0.71073","MoKα","","0.1868","0.0636","","","0.1289","0.1663","","","","","","1.005","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118636","5.9599","0.0004","14.1275","0.0007","11.3539","0.0006","90","","92.37","0.005","90","","955.16","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","","Zhanjie Li; Vyacheslav Boyarskikh; Jørn H. Hansen; Jochen Autschbach; Djamaladdin G. Musaev; Huw M. L. Davies","Scope and Mechanistic Analysis of the Enantioselective Synthesis of Allenes by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Propargylic Alcohols","Journal of the American Chemical Society","2012","134","","15497","15504","10.1021/ja3061529","","","1.54178","CuKα","","0.0532","0.0455","","","0.1037","0.1116","","","","","","1.007","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118637","5.7202","0.0002","14.8351","0.0006","26.7155","0.0011","90","","90","","90","","2267.07","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 O3 -","- C27 H30 O3 -","- C108 H120 O12 -","4","1","","Zhanjie Li; Vyacheslav Boyarskikh; Jørn H. Hansen; Jochen Autschbach; Djamaladdin G. Musaev; Huw M. L. Davies","Scope and Mechanistic Analysis of the Enantioselective Synthesis of Allenes by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Propargylic Alcohols","Journal of the American Chemical Society","2012","134","","15497","15504","10.1021/ja3061529","","","1.54178","CuKα","","0.0305","0.0298","","","0.0754","0.0761","","","","","","1.042","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118638","10.984","0.004","15.221","0.004","15.456","0.005","90","","91.546","0.014","90","","2583.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O5 S2 -","- C29 H24 N2 O5 S2 -","- C116 H96 N8 O20 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0608","0.0436","","","0.1085","0.1196","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118639","8.1755","0.0004","30.358","0.0013","10.0881","0.0005","90","","105.939","0.002","90","","2407.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O4 S2 -","- C26 H27 N O4 S2 -","- C104 H108 N4 O16 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0762","0.0558","","","0.1407","0.1517","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118640","8.9133","0.0004","9.5719","0.0004","13.8983","0.0006","90.866","0.001","91.161","0.001","91.925","0.001","1184.7","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Fe N O4 S2 -","- C26 H25 Fe N O4 S2 -","- C52 H50 Fe2 N2 O8 S4 -","2","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.034","0.0299","","","0.0785","0.081","","","","","","1.047","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118641","12.4526","0.0011","10.6473","0.001","16.4273","0.0014","90","","101.465","0.003","90","","2134.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 S2 -","- C22 H27 N O4 S2 -","- C88 H108 N4 O16 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0624","0.0414","","","0.1059","0.1185","","","","","","1.026","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118642","7.1779","0.0002","9.0959","0.0003","16.4089","0.0006","103.475","0.002","100.435","0.002","96.05","0.001","1012.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N O4 S2 -","- C22 H19 N O4 S2 -","- C44 H38 N2 O8 S4 -","2","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0407","0.0366","","","0.1131","0.1188","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118643","17.704","0.003","17.886","0.002","18.825","0.003","90","","100.905","0.015","90","","5853.4","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H68 B Mn N11 -","- C65 H68 B Mn N11 -","- C260 H272 B4 Mn4 N44 -","4","1","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.1334","0.0567","","","0.0966","0.117","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118644","12.513","0.003","12.686","0.003","21.618","0.005","77.915","0.004","85.171","0.004","60.516","0.004","2920.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H75 B Mn N8 O -","- C66.998 H74.985 B Mn N8 O0.998 -","- C133.996 H149.97 B2 Mn2 N16 O1.996 -","2","1","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.1114","0.0594","","","0.1287","0.1515","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118645","17.9947","0.0018","17.9947","0.0018","17.9947","0.0018","90","","90","","90","","5826.8","1","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H63 F12 Mn N8 P2 -","- C57 H63 F12 Mn N8 P2 -","- C228 H252 F48 Mn4 N32 P8 -","4","0.333333","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.0614","0.0391","","","0.0795","0.0891","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118646","5.7213","0.0002","23.2071","0.001","9.8994","0.0004","90","","91.14","0.002","90","","1314.13","0.09","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","David A. Candito; Dennis Dobrovolsky; Mark Lautens","Development of an Intramolecular Aryne Ene Reaction and Application to the Formal Synthesis of (\±)-Crinine","Journal of the American Chemical Society","2012","134","","15572","15580","10.1021/ja306881u","","","1.54178","CuKα","","0.0356","0.034","","","0.088","0.0894","","","","","","1.039","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118647","11.332","0.003","21.875","0.005","20.992","0.004","90","","101.644","0.009","90","","5097","2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Sc@C82Ad-A","Sc@C82Ad-A","","- C94.5 H14 S5 Sc -","- C94.5 H14 S5 Sc -","- C378 H56 S20 Sc4 -","4","1","","Makoto Hachiya; Hidefumi Nikawa; Naomi Mizorogi; Takahiro Tsuchiya; Xing Lu; Takeshi Akasaka","Exceptional Chemical Properties of Sc@C2v(9)-C82 Probed with Adamantylidene Carbene","Journal of the American Chemical Society","2012","134","","15550","15555","10.1021/ja306890x","","","0.71075","MoKα","","0.1076","0.0827","","","0.2109","0.2234","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118648","30.324","0.003","14.1543","0.0004","11.9424","0.0004","90","","112.35","0.02","90","","4740.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Co Fe2 N14 O2 -","- C44 H32 Co Fe2 N14 O5 -","- C176 H128 Co4 Fe8 N56 O20 -","4","0.5","","Luminita M. Toma; Catalina Ruiz-Pérez; Jorge Pasán; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","Molecular Engineering To Control the Magnetic Interaction between Single-Chain Magnets Assembled in a Two-Dimensional Network","Journal of the American Chemical Society","2012","134","","15265","15268","10.1021/ja307042z","","x-ray","0.71073","MoKα","","0.1189","0.0794","","","0.2308","0.2576","","","","","","1.004","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118649","30.048","0.003","14.0942","0.0004","11.9188","0.0004","90","","113.29","0.02","90","","4636.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Co Fe2 N14 O2 -","- C44 H36 Co Fe2 N14 O2 -","- C176 H144 Co4 Fe8 N56 O8 -","4","0.5","","Luminita M. Toma; Catalina Ruiz-Pérez; Jorge Pasán; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","Molecular Engineering To Control the Magnetic Interaction between Single-Chain Magnets Assembled in a Two-Dimensional Network","Journal of the American Chemical Society","2012","134","","15265","15268","10.1021/ja307042z","","x-ray","0.71073","MoKα","","0.1877","0.1401","","","0.2975","0.3246","","","","","","1.064","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118650","12.9869","0.0005","15.2767","0.0006","21.773","0.0009","91.848","0.003","100.505","0.003","91.036","0.003","4243.8","0.3","100","2","100","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C86 H83 B Br2 F24 N4 Pt -","- C86 H83 B Br2 F24 N4 Pt -","- C172 H166 B2 Br4 F48 N8 Pt2 -","2","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","1.5418","CuKα","","0.079","0.0607","","","0.1532","0.1726","","","","","","1.009","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118651","15.609","0.0006","15.0856","0.0003","33.552","0.0006","90","","101.828","0.002","90","","7732.8","0.4","100","2","100","2","","","","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H67 B F24 I2 N4 Pt -","- C78 H67 B F24 I2 N4 Pt -","- C312 H268 B4 F96 I8 N16 Pt4 -","4","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","1.5418","CuKα","","0.0809","0.0549","","","0.127","0.1436","","","","","","1.017","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118652","16.7829","0.0005","17.3523","0.0005","18.2034","0.0005","72.456","0.001","79.227","0.001","75.158","0.001","4851.3","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H91 B Br F24 N4 O Pt -","- C90 H91 B Br F24 N4 O Pt -","- C180 H182 B2 Br2 F48 N8 O2 Pt2 -","2","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","0.71073","MoKα","","0.0362","0.0297","","","0.0806","0.083","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118653","8.4888","0.0003","23.1287","0.0008","8.6817","0.0003","90","","93.537","0.002","90","","1701.27","0.1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl2 Cr N4 -","- C12 H28 Cl2 Cr N4 -","- C48 H112 Cl8 Cr4 N16 -","4","0.5","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0203","0.0195","","","0.0557","0.0564","","","","","","1.069","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118654","8.747","0.0003","13.3414","0.0004","17.967","0.0006","84.462","0.002","78.305","0.002","87.034","0.002","2042.48","0.12","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H70 Cl4 Cr2 N8 O12 -","- C24 H70 Cl4 Cr2 N8 O12 -","- C48 H140 Cl8 Cr4 N16 O24 -","2","1","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0972","0.0497","","","0.1069","0.1256","","","","","","1.024","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118655","9.7456","0.0002","13.1143","0.0003","14.3524","0.0004","90","","90","","90","","1834.33","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl Cr N6 O6 -","- C12 H28 Cl Cr N6 O6 -","- C48 H112 Cl4 Cr4 N24 O24 -","4","1","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0471","0.0402","","","0.1137","0.12","","","","","","0.853","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118656","11.7161","0.0005","14.8135","0.0006","23.0484","0.0013","102.478","0.003","92.417","0.003","109.701","0.002","3648.2","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H116 Cl2 N4 Pd2 -","- C70 H98 Cl2 N4 Pd2 -","- C140 H196 Cl4 N8 Pd4 -","2","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0679","0.0399","","","0.1041","0.1205","","","","","","1.031","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118657","10.517","0.005","22.963","0.011","32.741","0.016","90","","97.774","0.007","90","","7834","7","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C173 H240 N12 Pd4 -","- C168 H228 N12 Pd4 -","- C336 H456 N24 Pd8 -","2","0.5","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","0.71073","MoKα","","0.0791","0.0468","","","0.0979","0.1081","","","","","","1.061","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118658","9.7615","0.0003","13.4772","0.0005","29.0572","0.0013","90","","90","","90","","3822.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 Cl N2 Pd -","- C35 H51 Cl N2 Pd -","- C140 H204 Cl4 N8 Pd4 -","4","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0694","0.0586","","","0.1453","0.154","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118659","12.8298","0.0003","15.947","0.0003","19.8577","0.0004","90","","108.184","0.001","90","","3859.92","0.14","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 N3 O Pd -","- C42.002 H59.007 N3 O Pd -","- C168.008 H236.028 N12 O4 Pd4 -","4","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0437","0.039","","","0.1023","0.1056","","","","","","1.071","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118660","9.545","0.002","11.803","0.003","13.848","0.004","94.664","0.003","107.251","0.002","106.439","0.003","1405.6","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 F3 O3 S Sb -","- C33 H24 F3 O3 S Sb -","- C66 H48 F6 O6 S2 Sb2 -","2","1","","Iou-Sheng Ke; Mykhaylo Myahkostupov; Felix N. Castellano; François P. Gabbaï","Stibonium Ions for the Fluorescence Turn-On Sensing of F-in Drinking Water at Parts per Million Concentrations","Journal of the American Chemical Society","2012","134","","15309","15311","10.1021/ja308194w","","","0.71073","MoKα","","0.0226","0.0211","","","0.0516","0.0523","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118661","9.622","0.004","16.82","0.006","14.745","0.006","90","","92.461","0.004","90","","2384.2","1.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F Sb -","- C32 H24 F Sb -","- C128 H96 F4 Sb4 -","4","1","","Iou-Sheng Ke; Mykhaylo Myahkostupov; Felix N. Castellano; François P. Gabbaï","Stibonium Ions for the Fluorescence Turn-On Sensing of F-in Drinking Water at Parts per Million Concentrations","Journal of the American Chemical Society","2012","134","","15309","15311","10.1021/ja308194w","","","0.71073","MoKα","","0.0558","0.0326","","","0.0666","0.0752","","","","","","1.036","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118662","10.8723","0.0003","13.9019","0.0005","14.4817","0.0004","83.887","0.003","78.634","0.002","86.384","0.003","2131.73","0.11","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H59 Cl O P2 Ru -","- C47 H59 Cl O P2 Ru -","- C94 H118 Cl2 O2 P4 Ru2 -","2","1","","Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Loïc Toupet; Stéphane Rigaut; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core","Journal of the American Chemical Society","2012","134","","15628","15631","10.1021/ja304424t","","","0.71073","MoKα","","0.0685","0.0409","","","0.0866","0.0984","","","","","","0.906","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118663","12.1161","0.0002","19.0277","0.0002","35.7678","0.0005","90","","99.739","0.001","90","","8127.1","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H110 Cl10 O2 P4 Ru2 -","- C72 H110 Cl10 O2 P4 Ru2 -","- C288 H440 Cl40 O8 P16 Ru8 -","4","0.5","","Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Loïc Toupet; Stéphane Rigaut; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core","Journal of the American Chemical Society","2012","134","","15628","15631","10.1021/ja304424t","","","0.71073","MoKα","","0.0451","0.0299","","","0.069","0.0719","","","","","","1.03","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118664","7.0979","0.0009","13.6258","0.0016","25.324","0.003","90","","92.031","0.002","90","","2447.7","0.5","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Si2 -","- C28 H28 Si2 -","- C112 H112 Si8 -","4","1","","Jordan D. Wood; Jessica L. Jellison; Aaron D. Finke; Lichang Wang; Kyle N. Plunkett","Electron Acceptors Based on Functionalizable Cyclopenta[hi]aceanthrylenes and Dicyclopenta[de,mn]tetracenes","Journal of the American Chemical Society","2012","134","","15783","15789","10.1021/ja304602t","","","0.71073","MoKα","","0.0513","0.0394","","","0.0972","0.1041","","","","","","1.038","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118665","23.453","0.005","37.806","0.008","25.788","0.005","90","","115.1","0.03","90","","20706","9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C179 H179 Cl9 N44 O28 -","- C179 H179 Cl9 N44 O28 -","- C716 H716 Cl36 N176 O112 -","4","1","","Quan Gan; Yann Ferrand; Nagula Chandramouli; Brice Kauffmann; Christophe Aube; Didier Dubreuil; Ivan Huc","Identification of a Foldaxane Kinetic Byproduct during Guest-Induced Single to Double Helix Conversion","Journal of the American Chemical Society","2012","134","","15656","15659","10.1021/ja3064364","","","0.8265","","","0.1773","0.1554","","","0.3787","0.3959","","","","","","1.455","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118666","23.097","0.004","31.196","0.005","40.446","0.006","90","","100.388","0.007","90","","28665","8","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H134 Cl12 N22 O25 -","- C126 H134 Cl12 N22 O25 -","- C1008 H1072 Cl96 N176 O200 -","8","2","","Quan Gan; Yann Ferrand; Nagula Chandramouli; Brice Kauffmann; Christophe Aube; Didier Dubreuil; Ivan Huc","Identification of a Foldaxane Kinetic Byproduct during Guest-Induced Single to Double Helix Conversion","Journal of the American Chemical Society","2012","134","","15656","15659","10.1021/ja3064364","","","1.54178","CuKα","","0.1867","0.1429","","","0.3437","0.391","","","","","","1.802","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118667","6.9951","0.0012","6.9951","0.0012","8.028","0.003","90","","90","","90","","392.82","0.18","273","2","273","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cr H12 N3 O8 -","- Cr H14 N3 O8 -","- Cr2 H28 N6 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0247","0.0247","","","0.0621","0.0621","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118668","9.8893","0.0012","9.889","","8.0326","0.001","90","","90","","90","","785.55","0.14","203","2","203","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cr H12 N3 O8 -","- Cr H12 N3 O8 -","- Cr4 H48 N12 O32 -","4","0.5","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0295","0.0291","","","0.0712","0.0714","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118669","10","2","10.0176","0.001","8.0201","0.001","90.013","0.001","90.008","0.003","90.004","0.002","803","16","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- Cr H12 N3 O8 -","- Cr N3 O8 -","- Cr4 N12 O32 -","4","4","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0601","0.0567","","","0.1569","0.1598","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118670","6.9862","0.0003","6.9862","0.0003","7.9044","0.0006","90","","90","","90","","385.79","0.04","193","2","193","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr H8 N2 O8 Rb -","- Cr H8 N1.62 O8 Rb1.38 -","- Cr2 H16 N3.24 O16 Rb2.76 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0242","0.0242","","","0.064","0.0641","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118671","7.0386","0.0003","7.0386","0.0003","8.1748","0.0008","90","","90","","90","","405","0.05","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr Cs H8 N2 O8 -","- Cr Cs H8 N2 O8 -","- Cr2 Cs2 H16 N4 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0122","0.0122","","","0.0308","0.0308","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118672","16.395","0.003","28.34","0.005","16.705","0.004","90","","112.733","0.009","90","","7159","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C83 H46 Cl16 -","- C83 H46 Cl16 -","- C332 H184 Cl64 -","4","0.5","","Qianyan Zhang; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami; Lawrence T. Scott","Palladium-Catalyzed C-H Activation Taken to the Limit. Flattening an Aromatic Bowl by Total Arylation","Journal of the American Chemical Society","2012","134","","15664","15667","10.1021/ja306992k","","","0.71073","MoKα","","0.1061","0.0508","","","0.1038","0.1236","","","","","","1.018","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118673","12.916","0.002","13.32","0.003","25.385","0.005","100.698","0.009","99.299","0.01","105.796","0.009","4024","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H122 Li4 N4 -","- C94 H122 Li4 N4 -","- C188 H244 Li8 N8 -","2","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71069","MoKα","","0.1214","0.0953","","","0.2224","0.2397","","","","","","1.095","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118674","9.841","0.004","25.042","0.008","16.187","0.006","90","","103.111","0.004","90","","3885","2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 N2 -","- C44 H58 N2 -","- C176 H232 N8 -","4","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71073","MoKα","","0.088","0.0621","","","0.1465","0.1731","","","","","","1.064","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118675","10.84","0.003","15.555","0.004","23.01","0.006","90","","91.876","0.003","90","","3877.8","1.8","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H54 N2 O -","- C43.5 H54 N2 O -","- C174 H216 N8 O4 -","4","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71075","MoKα","","0.0867","0.0642","","","0.1589","0.1785","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118676","8.9445","0.0003","8.9445","0.0003","20.4004","0.0014","90","","90","","90","","1632.12","0.14","173","2","173","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C34 H48 N4 Ti2 -","- C34 H48 N4 Ti2 -","- C68 H96 N8 Ti4 -","2","0.125","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0578","0.0462","","","0.1189","0.1242","","","","","","1.11","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118677","9.176","0.007","15.954","0.012","10.588","0.008","90","","111.099","0.015","90","","1446.1","1.9","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H46 N3 Si4 Ti -","- C23 H46 N3 Si4 Ti -","- C46 H92 N6 Si8 Ti2 -","2","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0344","0.0287","","","0.0655","0.0678","","","","","","1.012","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118678","8.5462","0.0004","11.2725","0.0006","20.5189","0.001","94.375","0.004","90.937","0.004","94.744","0.004","1963.71","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N3 Ti -","- C38 H44 N3 Ti -","- C76 H88 N6 Ti2 -","2","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0738","0.0368","","","0.0558","0.0596","","","","","","0.657","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118679","16.2024","0.0006","10.732","0.0004","16.4713","0.0006","90","","95.448","0.003","90","","2851.16","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N2 Ti -","- C35 H36 N2 Ti -","- C140 H144 N8 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0896","0.0412","","","0.0792","0.0872","","","","","","0.767","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118680","13.694","0.0003","30.0123","0.0006","9.9271","0.0002","90","","101.067","0.001","90","","4004.05","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H60 N2 Ti -","- C47 H60 N2 Ti -","- C188 H240 N8 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","1.54178","CuKα","","0.0555","0.0444","","","0.1146","0.1218","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118681","10.7229","0.0002","16.273","0.0003","16.3219","0.0003","90","","90","","90","","2848.07","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 N Ti -","- C32 H47 N Ti -","- C128 H188 N4 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0384","0.0348","","","0.0928","0.0955","","","","","","1.056","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118682","5.4494","0.0002","13.956","0.0006","38.3035","0.0016","90","","90","","90","","2913.1","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0706","0.0535","","0.1586","0.1289","0.1586","","","","","","0.8702","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118683","7.6002","0.0011","14.786","0.002","26.613","0.004","90","","90","","90","","2990.7","0.7","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C128 H168 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0917","0.0843","","0.1765","0.1617","0.1765","","","","","","1.0759","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118684","11.00084","0.00017","42.3567","0.0006","20.2297","0.0003","90","","90.5529","0.0015","90","","9425.8","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H69 Cl3 Si3 -","- C45 H69 Cl3 Si3 -","- C360 H552 Cl24 Si24 -","8","4","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0567","0.0466","","","0.1171","0.1272","","","","","","0.976","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118685","14.9868","0.0005","17.1992","0.0006","17.4782","0.0006","73.888","0.003","83.705","0.003","85.808","0.003","4297.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C90 H138 Si6 -","- C90 H138 Si6 -","- C180 H276 Si12 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.116","0.0871","","","0.2762","0.2868","","","","","","1.047","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118686","24.30088","0.00011","31.59551","0.00013","35.05545","0.00016","90","","106.653","0.0005","90","","25786.6","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C127.5 H201.5 Si11 -","- C127.5 H201.501 Si11 -","- C1020 H1612.01 Si88 -","8","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0697","0.063","","","0.1716","0.1767","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118687","22.01215","0.00014","17.63669","0.00011","26.02392","0.00017","90","","95.7157","0.0006","90","","10052.8","0.11","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C99 H159 Cl1.1 Si6 -","- C99 H159 Cl1.1 Si6 -","- C396 H636 Cl4.4 Si24 -","4","0.5","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0481","0.0441","","","0.1284","0.1314","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118688","15.1361","0.0004","15.2175","0.0003","17.7339","0.0004","90.6585","0.0018","103.886","0.002","99.861","0.002","3900.84","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H113 I6 Si5 -","- C69 H113 I6 Si5 -","- C138 H226 I12 Si10 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0389","0.0288","","","0.0658","0.0698","","","","","","1.002","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118689","33.8021","0.0004","26.3632","0.0003","20.2985","0.0002","90","","97.7245","0.001","90","","17924.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C93 H141 Cl2 Si6 -","- C93 H141 Cl2 Si6 -","- C744 H1128 Cl16 Si48 -","8","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","0.71073","MoKα","","0.0885","0.0562","","","0.1524","0.1718","","","","","","1.097","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118690","20.1594","0.0005","27.1066","0.0005","33.288","0.0007","90","","97.8871","0.0019","90","","18018.2","0.7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H145 Cl2 Si6 -","- C93 H145 Cl2 Si6 -","- C744 H1160 Cl16 Si48 -","8","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","0.71073","MoKα","","0.1367","0.0722","","","0.1739","0.1871","","","","","","1.069","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118691","14.2467","0.0002","14.8874","0.0003","23.7978","0.0004","89.4263","0.0014","73.4546","0.0013","77.4745","0.0015","4716.05","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H144 Cl4 Si6 -","- C96 H144 Cl4 Si6 -","- C192 H288 Cl8 Si12 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0506","0.0429","","","0.1209","0.1267","","","","","","1.048","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118692","15.8205","0.0004","23.724","0.0005","25.8774","0.0008","74.715","0.002","77.767","0.003","78.396","0.002","9046.8","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C90.75 H139.75 Cl2 Si6 -","- C90.75 H139.75 Cl2 Si6 -","- C363 H559 Cl8 Si24 -","4","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.184","0.1569","","","0.4608","0.4696","","","","","","1.029","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118693","13.622","0.0006","17.116","0.0008","19.5296","0.0009","101.445","0.002","93.541","0.002","94.14","0.002","4437.7","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C85.69 H65.3 Bi1.92 Cl6 N8 O13.53 -","- C85.69 H61.535 Bi1.9225 Cl6 N8 O13.535 -","- C171.38 H123.07 Bi3.845 Cl12 N16 O27.07 -","2","1","","Btissam Najjari; Stéphane Le Gac; Thierry Roisnel; Vincent Dorcet; Bernard Boitrel","Metal Migration Processes in Homo- and Heterobimetallic Bismuth(III)-Lead(II) Porphyrin Complexes: Emergence of Allosteric Newton's Cradle-like Devices","Journal of the American Chemical Society","2012","134","","16017","16032","10.1021/ja307349d","","x-ray","0.71073","MoKα","","0.1124","0.0633","","","0.1635","0.1803","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118694","44.3331","0.0012","16.6415","0.0004","31.6038","0.001","90","","115.348","0.001","90","","21071.5","1","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H75 Bi N8 O13 Pb S3 -","- C88 H75 Bi N8 O13 Pb S3 -","- C704 H600 Bi8 N64 O104 Pb8 S24 -","8","1","","Btissam Najjari; Stéphane Le Gac; Thierry Roisnel; Vincent Dorcet; Bernard Boitrel","Metal Migration Processes in Homo- and Heterobimetallic Bismuth(III)-Lead(II) Porphyrin Complexes: Emergence of Allosteric Newton's Cradle-like Devices","Journal of the American Chemical Society","2012","134","","16017","16032","10.1021/ja307349d","","x-ray","0.71073","MoKα","","0.0717","0.0505","","","0.1262","0.1328","","","","","","1.122","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118695","10.9576","0.001","17.286","0.0015","28.76","0.002","90","","90","","90","","5447.5","0.8","90","","90","","","","","","","","","6","P c c n","-P 2ab 2ac","56","Lu3N@C80-SiDep2","","","- C101 H26 Lu3 N S2 Si -","- C101 H26 Lu2.52 N S2 Si -","- C404 H104 Lu10.08 N4 S8 Si4 -","4","0.5","","Kumiko Sato; Masahiro Kako; Mitsuaki Suzuki; Naomi Mizorogi; Takahiro Tsuchiya; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka; Shigeru Nagase","Synthesis of Silylene-Bridged Endohedral Metallofullerene Lu3N@Ih-C80","Journal of the American Chemical Society","2012","134","","16033","16039","10.1021/ja3073929","","","0.71073","MoKα","","0.1221","0.1043","","","0.2339","0.2416","","","","","","1.278","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118696","17.231","0.003","11.579","0.003","8.6962","0.0016","90","","94.863","0.008","90","","1728.8","0.6","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","1.54187","CuKα","","","0.0585","","","","0.1838","","","","","","1.113","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118697","13.154","0.004","12.91","0.004","27.042","0.008","90","","94.353","0.007","90","","4579","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 N2 Ni O -","- C50 H68 N2 Ni O -","- C200 H272 N8 Ni4 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","0.71075","MoKα","","","0.0726","","","","0.1669","","","","","","1.023","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118698","10.666","0.006","16.7757","0.001","27.099","0.016","90","","99.65","0.007","90","","4780","4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 N2 Ni O -","- C54 H70 N2 Ni O -","- C216 H280 N8 Ni4 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","0.71075","MoKα","","","0.0487","","","","0.1304","","","","","","1.056","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118699","9.744","0.0005","10.8","0.0004","14.829","0.0007","77.646","0.003","78.774","0.002","70.101","0.002","1420.71","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H25.5 Co N6 O0.25 S2 -","- C30.5 H24 Co N6 O0.25 S2 -","- C61 H48 Co2 N12 O0.5 S4 -","2","1","","Julia Vallejo; Isabel Castro; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Giovanni De Munno; Wolfgang Wernsdorfer; Emilio Pardo","Field-Induced Slow Magnetic Relaxation in a Six-Coordinate Mononuclear Cobalt(II) Complex with a Positive Anisotropy","Journal of the American Chemical Society","2012","134","","15704","15707","10.1021/ja3075314","","","0.71073","MoKα","","0.1145","0.0504","","","0.132","0.1886","","","","","","0.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118700","5.9275","0.0002","22.3693","0.0008","25.6873","0.0009","90","","90","","90","","3406","0.2","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C152 H176 O40 -","8","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.0456","0.0361","","","0.0901","0.0965","","","","","","1.021","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118701","33.1098","0.0013","33.1098","0.0013","6.3799","0.0003","90","","90","","120","","6057","0.4","88","2","88","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C234 H360 O126 -","18","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.041","0.0355","","","0.0931","0.0976","","","","","","1.034","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118702","21.5208","0.0008","19.0796","0.0005","22.3223","0.0008","90","","114.517","0.004","90","","8339.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75 H100 O20 -","- C75 H100 O20 -","- C300 H400 O80 -","4","1","","Yong Yao; Min Xue; Jianzhuang Chen; Mingming Zhang; Feihe Huang","An Amphiphilic Pillar[5]arene: Synthesis, Controllable Self-Assembly in Water, and Application in Calcein Release and TNT Adsorption","Journal of the American Chemical Society","2012","134","","15712","15715","10.1021/ja3076617","","","1.54184","CuKα","","0.083","0.0629","","","0.1755","0.1935","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118703","14.0494","0.0009","9.3066","0.0007","26.8708","0.0018","90","","93.007","0.004","90","","3508.6","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 B N2 -","- C17 H31 B N2 -","- C136 H248 B8 N16 -","8","2","","Jeffrey M. Farrell; Jillian A. Hatnean; Douglas W. Stephan","Activation of Hydrogen and Hydrogenation Catalysis by a Borenium Cation","Journal of the American Chemical Society","2012","134","","15728","15731","10.1021/ja307995f","","","0.71073","MoKα","","0.0998","0.0537","","","0.1213","0.1439","","","","","","1.012","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118704","16.1615","0.0004","17.6859","0.0003","17.4851","0.0004","90","","114.772","0.001","90","","4537.89","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.55 H36.65 B2 Cl0.45 F20 N2 -","- C47.55 H36.65 B2 Cl0.45 F20 N2 -","- C190.2 H146.6 B8 Cl1.8 F80 N8 -","4","1","","Jeffrey M. Farrell; Jillian A. Hatnean; Douglas W. Stephan","Activation of Hydrogen and Hydrogenation Catalysis by a Borenium Cation","Journal of the American Chemical Society","2012","134","","15728","15731","10.1021/ja307995f","","","0.71073","MoKα","","0.0572","0.0479","","","0.1274","0.1357","","","","","","1.02","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118705","7.1212","0.0005","10.1936","0.0006","20.9572","0.0014","90","","95.486","0.003","90","","1514.33","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0809","0.0523","","","0.1135","0.1262","","","","","","1.052","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118706","9.251","0.0013","10.0419","0.0015","15.538","0.002","90","","90","","90","","1443.4","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0573","0.0444","","","0.0972","0.1024","","","","","","1.017","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118707","9.9898","0.0002","11.2967","0.0003","11.9851","0.0003","69.535","0.001","77.957","0.001","87.466","0.001","1238.68","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C62 H50 N6 O6 -","2","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0499","0.0406","","","0.1066","0.1139","","","","","","1.015","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118708","12.8722","0.0002","9.6885","0.0001","11.3846","0.0001","90","","90","","90","","1419.8","0.03","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N2 O -","- C15 H24 N2 O -","- C60 H96 N8 O4 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0416","0.0346","","","0.0848","0.0895","","","","","","1.023","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118709","12.163","0.001","8.5438","0.0007","16.1345","0.0013","90","","94.225","0.004","90","","1672.1","0.2","94","2","94","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H53 N O5 Si3 -","- C25 H53 N O5 Si3 -","- C50 H106 N2 O10 Si6 -","2","1","","Eric L. Dane; Mark W. Grinstaff","Poly-amido-saccharides: Synthesis via Anionic Polymerization of a β-Lactam Sugar Monomer","Journal of the American Chemical Society","2012","134","","16255","16264","10.1021/ja305900r","","","1.54178","CuKα","","0.1009","0.0713","","","0.1969","0.2065","","","","","","1.069","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118710","15.2916","0.0013","26.09","0.002","26.927","0.003","103.784","0.006","90.188","0.006","99.938","0.005","10265.7","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H108.5 F24 N16.5 O9 P4 -","- C92 H108.5 F24 N16.5 O9 P4 -","- C368 H434 F96 N66 O36 P16 -","4","2","","Albert C. Fahrenbach; Zhixue Zhu; Dennis Cao; Wei-Guang Liu; Hao Li; Sanjeev K. Dey; Subhadeep Basu; Ali Trabolsi; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Radically Enhanced Molecular Switches","Journal of the American Chemical Society","2012","134","","16275","16288","10.1021/ja306044r","","","1.54178","CuKα","","0.1964","0.1049","","","0.2713","0.3438","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118711","17.72","0.007","27.001","0.011","34.238","0.014","90","","90","","90","","16381","11","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 Er3 N16 O5 -","- C72 H60 Cl9 Er3 N16 O5 -","- C576 H480 Cl72 Er24 N128 O40 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.2539","0.1456","","","0.3499","0.4152","","","","","","1.118","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118712","17.768","0.008","26.809","0.011","34.069","0.014","90","","90","","90","","16229","12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 N16 O5 Yb3 -","- C72 H60 Cl9 N16 O5 Yb3 -","- C576 H480 Cl72 N128 O40 Yb24 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.253","0.1561","","","0.3685","0.4357","","","","","","1.141","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118713","33.6487","0.0007","15.2675","0.0003","20.9931","0.0004","90","","119.316","0.001","90","","9403.6","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C151 H154 Co6 N50 O30 W4 -","- C151 H154 Co6 N50 O30 W4 -","- C302 H308 Co12 N100 O60 W8 -","2","0.5","","Szymon Chorazy; Koji Nakabayashi; Kenta Imoto; Jacek Mlynarski; Barbara Sieklucka; Shin-ichi Ohkoshi","Conjunction of Chirality and Slow Magnetic Relaxation in the Supramolecular Network Constructed of Crossed Cyano-Bridged CoII-WV Molecular Chains","Journal of the American Chemical Society","2012","134","","16151","16154","10.1021/ja307520k","","","0.71075","MoKα","","0.0546","0.0444","","","0.0853","0.0888","","","","","","1.074","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118714","33.6237","0.0008","15.257","0.0004","21.0243","0.0005","90","","119.317","0.001","90","","9404","0.4","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C152 H154 Co6 N50 O31 W4 -","- C152 H154 Co6 N50 O31 W4 -","- C304 H308 Co12 N100 O62 W8 -","2","0.5","","Szymon Chorazy; Koji Nakabayashi; Kenta Imoto; Jacek Mlynarski; Barbara Sieklucka; Shin-ichi Ohkoshi","Conjunction of Chirality and Slow Magnetic Relaxation in the Supramolecular Network Constructed of Crossed Cyano-Bridged CoII-WV Molecular Chains","Journal of the American Chemical Society","2012","134","","16151","16154","10.1021/ja307520k","","","0.71075","MoKα","","0.0709","0.0493","","","0.0939","0.1022","","","","","","1.023","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118715","18.82","0.004","15.328","0.003","9.379","0.0019","90","","105.31","0.03","90","","2609.6","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H23 N O -","- C37 H23 N O -","- C148 H92 N4 O4 -","4","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.126","0.0614","","","0.1271","0.1529","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118716","11.351","0.004","13.592","0.003","19.515","0.006","69.758","0.01","89.373","0.017","75.645","0.015","2727.4","1.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 N O -","- C38 H25 N O -","- C152 H100 N4 O4 -","4","2","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.086","0.0562","","","0.0974","0.1074","","","","","","1.102","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118717","11.087","0.002","11.313","0.002","11.699","0.002","94.81","0.03","96.14","0.03","104.89","0.03","1400.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 N O2 -","- C38 H25 N O2 -","- C76 H50 N2 O4 -","2","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.1826","0.069","","","0.1593","0.183","","","","","","0.957","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118718","10.942","0.002","11.548","0.002","12.952","0.004","113.694","0.013","95.72","0.03","104.366","0.019","1414.6","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H25 N O -","- C41 H25 N O -","- C82 H50 N2 O2 -","2","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0697","0.0469","","","0.1204","0.1298","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118719","19.948","0.019","5.519","0.005","20.221","0.019","90","","118.718","0.007","90","","1952","3","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H19 N O -","- C27 H19 N O -","- C108 H76 N4 O4 -","4","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0545","0.0385","","","0.0806","0.0841","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118720","9.1944","0.0019","10.54","0.002","13.496","0.003","110.638","0.01","97.188","0.019","101.563","0.013","1171.5","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H47 Cl3 N2 O2 -","- C59 H47 Cl3.04 N2 O2 -","- C59 H47 Cl3.04 N2 O2 -","1","0.5","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0575","0.0431","","","0.1227","0.1304","","","","","","1.012","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118721","15.0915","0.0013","11.3379","0.001","14.117","0.0012","90","","90","","90","","2415.5","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H11 F3 O -","- C15 H11 F3 O -","- C120 H88 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0548","0.0375","","","0.1175","0.1406","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118722","14.539","0.0012","5.798","0.0006","24.629","0.002","90","","90","","90","","2076.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 F3 O -","- C13 H9 F3 O -","- C104 H72 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0591","0.0419","","","0.1044","0.1138","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118723","14.8625","0.0009","5.8223","0.0003","20.7554","0.0011","90","","90","","90","","1796.05","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl F3 O -","- C9 H6 Cl F3 O -","- C72 H48 Cl8 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0583","0.0476","","","0.1271","0.1368","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118724","8.5746","0.0003","13.0717","0.0004","17.0751","0.0005","78.873","0.003","85.168","0.003","77.155","0.003","1829.18","0.1","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C60 H98 Cl10 D8 O2 P4 Ru2 -","- C60 H106 Cl10 O2 P4 Ru2 -","- C60 H106 Cl10 O2 P4 Ru2 -","1","0.5","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.0503","0.0395","","","0.0991","0.1024","","","","","","0.975","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118725","25.6092","0.0006","8.5106","0.0003","33.7793","0.0009","90","","99.773","0.002","90","","7255.3","0.4","123","","123","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H118 Cl6 O6 P4 Ru2 -","- C62 H118 Cl6 O6 P4 Ru2 -","- C248 H472 Cl24 O24 P16 Ru8 -","4","0.5","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.056","0.0459","","","0.121","0.1274","","","","","","1.035","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118726","14.388","0.005","16.147","0.005","16.226","0.005","86.826","0.005","66.919","0.005","83.238","0.005","3443.6","1.9","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C60 H104 Cl2 O2 P4 Ru2 -","- C60 H104 Cl2 O2 P4 Ru2 -","- C120 H208 Cl4 O4 P8 Ru4 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.5418","CuKα","","0.0582","0.053","","","0.1571","0.1642","","","","","","1.071","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118727","9.2604","0.0011","9.6988","0.0012","10.6668","0.0014","96.074","0.015","114.763","0.014","107.175","0.014","801.5","0.2","123","","123","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C44 H40 -","- C22 H18 -","- C44 H36 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","","0.71073","MoKα","","0.0996","0.077","","","0.1913","0.2048","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118728","9.9906","0.0009","16.1232","0.0013","10.7986","0.001","90","","98.644","0.01","90","","1719.7","0.3","123","","123","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C35 H55 Cl O P2 Ru -","- C35 H55 Cl O P2 Ru -","- C70 H110 Cl2 O2 P4 Ru2 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","","0.71073","MoKα","","0.0238","0.022","","","0.053","0.0532","","","","","","1.056","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118729","5.8813","0.0002","7.4818","0.0002","27.4863","0.0007","90","","90","","90","","1209.47","0.06","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C56 H40 Br8 -","4","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.0363","0.0273","","","0.0517","0.0529","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118730","9.4506","0.0004","10.3663","0.0005","20.9206","0.001","90","","100.168","0.002","90","","2017.35","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C112 H88 N8 -","4","1","","Dmitry Tsvelikhovsky; Stephen L. Buchwald","Correction to Synthesis of Heterocycles via Pd-Ligand Controlled Cyclization of 2-Chloro-N-(2-vinyl)aniline: Preparation of Carbazoles, Indoles, Dibenzazepines, and Acridines","Journal of the American Chemical Society","2012","134","","16917","16917","10.1021/ja3066094","","","1.54178","CuKα","","0.0373","0.0363","","","0.091","0.092","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118731","6.4014","0.0003","38.8137","0.0017","10.4638","0.0005","90","","91.734","0.001","90","","2598.7","0.2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PZ3-124-p","","","- C33 H38 O -","- C33 H38 O -","- C132 H152 O4 -","4","1","","Richard Vaughan Williams; W. Daniel Edwards; Pengrong Zhang; David J. Berg; Reginald H. Mitchell","Experimental Verification of the Homoaromaticity of 1,3,5-Cycloheptatriene and Evaluation of the Aromaticity of Tropone and the Tropylium Cation by Use of the Dimethyldihydropyrene Probe","Journal of the American Chemical Society","2012","134","","16742","16752","10.1021/ja306868r","","","0.71073","MoKα","","0.0553","0.0437","","","0.1086","0.1163","","","","","","1.024","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118732","15.2931","0.0005","15.5885","0.0004","11.6512","0.0003","90","","110.74","0.001","90","","2597.61","0.13","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 -","- C33 H40 -","- C132 H160 -","4","1","","Richard Vaughan Williams; W. Daniel Edwards; Pengrong Zhang; David J. Berg; Reginald H. Mitchell","Experimental Verification of the Homoaromaticity of 1,3,5-Cycloheptatriene and Evaluation of the Aromaticity of Tropone and the Tropylium Cation by Use of the Dimethyldihydropyrene Probe","Journal of the American Chemical Society","2012","134","","16742","16752","10.1021/ja306868r","","","0.71073","MoKα","","0.1123","0.0512","","","0.1286","0.1599","","","","","","1.024","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118733","10.0094","0.0005","8.1625","0.0004","20.4952","0.0011","90","","103.407","0.002","90","","1628.86","0.14","100","","100","","","","","","","","ethanole","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","1.54178","Cu-Kα","","0.038","0.0348","","","0.0908","0.0931","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118734","7.6774","0.0003","28.5135","0.001","6.5884","0.0002","90","","90","","90","","1442.26","0.09","100","","100","","","","","","","","dichloromethane,ethanole","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F Si -","- C17 H17 F Si -","- C68 H68 F4 Si4 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","1.54184","Cu-Kα","","0.0871","0.0868","","","0.1966","0.1967","","","","","","1.212","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118735","12.0407","0.0014","11.2123","0.0012","11.861","0.0016","90","","106.89","0.011","90","","1532.2","0.3","100","","100","","","","","","","","ethanole","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 F3 -","- C23 H13 F3 -","- C92 H52 F12 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","0.71073","MoKα","","0.1466","0.0704","","","0.1242","0.151","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118736","28.109","0.004","4.5304","0.0006","33.581","0.005","90","","90.356","0.003","90","","4276.3","1","200","","200","","","","","","","","Methyl-t-butylether,ethanole","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C252 H168 O24 -","12","3","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","0.71073","Mo-Kα","","0.0638","0.0411","","","0.0978","0.1135","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118737","10.0247","0.0018","14.497","0.003","28.512","0.005","90","","90","","90","","4143.6","1.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19.5 H18 F6 N4 S -","- C19.5 H18 F6 N4 S -","- C156 H144 F48 N32 S8 -","8","2","","Yi An Cheng; Tao Chen; Chong Kiat Tan; Jun Jie Heng; Ying-Yeung Yeung","Efficient Medium Ring Size Bromolactonization Using a Sulfur-Based Zwitterionic Organocatalyst","Journal of the American Chemical Society","2012","134","","16492","16495","10.1021/ja307210n","","","0.71073","MoKα","","0.1043","0.0794","","","0.1635","0.1748","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118738","6.2504","0.0002","16.0235","0.0005","12.3864","0.0004","90","","94.204","0.001","90","","1237.2","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 B2 N2 -","- C8 H26 B2 N2 -","- C32 H104 B8 N8 -","4","1","","Erin M. Leitao; Naomi E. Stubbs; Alasdair P. M. Robertson; Holger Helten; Robert J. Cox; Guy C. Lloyd-Jones; Ian Manners","Mechanism of Metal-Free Hydrogen Transfer between Amine-Boranes and Aminoboranes","Journal of the American Chemical Society","2012","134","","16805","16816","10.1021/ja307247g","","","0.71073","MoKα","","0.0501","0.0453","","","0.1225","0.1271","","","","","","1.045","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118739","22.5934","0.0018","24.6867","0.0019","25.301","0.002","90","","116.371","0.001","90","","12643.3","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C133 H192 N2 O20 S U2 -","- C133 H192 N2 O20 S U2 -","- C532 H768 N8 O80 S4 U8 -","4","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.073","0.0438","","","0.0984","0.1096","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118740","22.683","0.002","24.772","0.0017","25.456","0.002","90","","116.345","0.006","90","","12818.2","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C133 H192 N2 O20.25 Se0.75 U2 -","- C133.004 H192.01 N2 O20.251 Se0.751 U2 -","- C532.016 H768.04 N8 O81.004 Se3.004 U8 -","4","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1331","0.0563","","","0.0985","0.118","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118741","14.098","0.0017","15.452","0.002","28.329","0.002","85.748","0.009","85.341","0.01","70.009","0.009","5773.2","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H167 N2 O13 S2 Se U2 -","- C123 H167 N2 O13 S2.01 Se0.99 U2 -","- C246 H334 N4 O26 S4.02 Se1.98 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1061","0.0531","","","0.0957","0.1094","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118742","12.9091","0.0008","18.3832","0.0012","24.2368","0.0016","70.309","0.002","75.756","0.002","78.964","0.002","5211.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H157 N2 O12 S2 U2 -","- C119 H157 N2 O12 S2 U2 -","- C238 H314 N4 O24 S4 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.056","0.04","","","0.077","0.0814","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118743","12.851","0.002","18.369","0.003","24.729","0.004","103.379","0.003","100.659","0.003","100.116","0.003","5433.5","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H167 N2 O14 S Se U2 -","- C123 H167 N2 O14 S Se U2 -","- C246 H334 N4 O28 S2 Se2 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1136","0.0878","","","0.1721","0.1773","","","","","","1.692","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118744","11.668","0.004","17.093","0.006","18.174","0.006","64.95","0.005","76.278","0.005","88.581","0.006","3178.2","1.9","173","2","173","2","","","","","","","","5","P 1","P 1","1","ccs27jan11","","","- C104 H212 Li16 N16 O10 -","- C104 H212 Li16 N16 O10 -","- C104 H212 Li16 N16 O10 -","1","1","","Timothy K. Beng; William S. Tyree; Trent Parker; Chicheung Su; Paul G. Williard; Robert E. Gawley","Dynamics of Catalytic Resolution of 2-Lithio-N-Boc-piperidine by Ligand Exchange","Journal of the American Chemical Society","2012","134","","16845","16855","10.1021/ja307796e","","","0.71073","","","0.0923","0.0753","","","0.2011","0.2277","","","","","","1.036","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118745","9.3809","0.0002","18.3068","0.0003","20.857","0.0004","63.132","0.001","77.83","0.001","82.528","0.001","3120.91","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 N4 O2 S Zn -","- C70 H80 N4 O S Zn -","- C140 H160 N8 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.2124","0.129","","","0.3359","0.4207","","","","","","1.167","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118746","9.3691","0.0002","18.3238","0.0003","20.9081","0.0004","63.18","0.001","77.685","0.001","82.022","0.001","3125.89","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 N4 O2 S Zn -","- C70.0722 H80 N4 O S Zn -","- C140.144 H160 N8 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.1639","0.1109","","","0.3012","0.3623","","","","","","1.11","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118747","9.8862","0.0003","15.2264","0.0004","19.7875","0.0006","83.203","0.001","85.808","0.002","79.181","0.002","2901.17","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 N5 O2 S Zn -","- C64 H69 N5 O S Zn -","- C128 H138 N10 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.1625","0.099","","","0.2548","0.3182","","","","","","0.931","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118748","11.0933","0.001","11.5651","0.0012","14.6276","0.0013","83.478","0.003","77.578","0.002","60.886","0.003","1601.1","0.3","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","2","","Takuya Kochi; Taro Hamasaki; Yuka Aoyama; Junichi Kawasaki; Fumitoshi Kakiuchi","Chain-Walking Strategy for Organic Synthesis: Catalytic Cycloisomerization of 1,n-Dienes","Journal of the American Chemical Society","2012","134","","16544","16547","10.1021/ja308377u","","","0.71075","MoKα","","0.1829","0.0787","","","0.1513","0.2011","","","","","","1.074","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118749","11.667","0.004","24.155","0.008","17.914","0.008","90","","107.131","0.015","90","","4824","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H74 N2 Ru4 -","- C52 H67 N2 Ru4 -","- C208 H268 N8 Ru16 -","4","1","","Shin Takemoto; Yusuke Yamazaki; Takahiro Yamano; Daichi Mashima; Hiroyuki Matsuzaka","Synthesis and N-H Reductive Elimination Study of Dinuclear Ruthenium Imido Dihydride Complexes","Journal of the American Chemical Society","2012","134","","17027","17035","10.1021/ja3005682","","","0.71075","MoKα","","0.1525","0.0772","","","0.1952","0.2364","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118750","12.088","0.004","15.545","0.006","17.205","0.005","105.741","0.012","94.616","0.012","90.083","0.015","3100.7","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H45 N Ru2 -","- C36 H44 N Ru2 -","- C144 H176 N4 Ru8 -","4","2","","Shin Takemoto; Yusuke Yamazaki; Takahiro Yamano; Daichi Mashima; Hiroyuki Matsuzaka","Synthesis and N-H Reductive Elimination Study of Dinuclear Ruthenium Imido Dihydride Complexes","Journal of the American Chemical Society","2012","134","","17027","17035","10.1021/ja3005682","","","0.71075","MoKα","","0.0732","0.043","","","0.0975","0.1137","","","","","","1.061","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118751","9.8111","0.0003","16.9862","0.0005","28.4069","0.0006","90","","92.167","0.002","90","","4730.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 P S -","- C29 H24 N3 P S -","- C232 H192 N24 P8 S8 -","8","2","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54178","CuKα","","0.0763","0.0465","","","0.103","0.1159","","","","","","1.026","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118752","24.3421","0.0005","16.6719","0.0004","51.6817","0.001","90","","90","","90","","20973.9","0.8","100","2","100","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8 -","- C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8 -","- C704 H656 Cl20 F168 Fe8 N48 P60 Pt16 S32 -","4","0.5","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54178","CuKα","","0.1655","0.0845","","","0.2033","0.2341","","","","","","0.973","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118753","23.0433","0.0014","13.5812","0.0009","43.188","0.002","90","","90","","90","","13515.9","1.4","100","2","99.99","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C88 H82 F36 Fe N6 P10 Pt2 S4 -","- C88 H82 F36 Fe N6 P10 Pt2 S4 -","- C352 H328 F144 Fe4 N24 P40 Pt8 S16 -","4","0.5","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.1231","0.0715","","","0.1766","0.194","","","","","","1.017","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118754","19.1432","0.001","12.9117","0.0006","18.0593","0.0009","90","","104.07","0.003","90","","4329.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 Cl4 N3 P2 Pt S2 -","- C45 H43 Cl4 N3 P2 Pt S2 -","- C180 H172 Cl16 N12 P8 Pt4 S8 -","4","1","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.0942","0.0634","","","0.1649","0.1856","","","","","","1.093","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118755","13.9318","0.001","14.0436","0.0009","25.6532","0.0018","90","","98.507","0.004","90","","4963.9","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H43 Cl2 F12 N3 P4 Pt S2 -","- C45 H43 Cl2 F12 N3 P4 Pt S2 -","- C180 H172 Cl8 F48 N12 P16 Pt4 S8 -","4","1","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.107","0.0565","","","0.1269","0.1516","","","","","","1.038","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118756","18.4572","0.0006","20.941","0.0018","33.9256","0.0011","81.963","0.002","75.988","0.001","75.426","0.002","12269.6","1.2","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C117 H98 Cl2 F24 Fe2 N12 P8 S4 -","- C117 H98 Cl2 F24 Fe2 N12 P8 S4 -","- C468 H392 Cl8 F96 Fe8 N48 P32 S16 -","4","2","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54184","CUKα","","0.1252","0.0816","","","0.2218","0.2458","","","","","","1.034","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118757","13.3363","0.0008","17.3169","0.0012","19.2559","0.0013","90","","107.706","0.003","90","","4236.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H61 Fe N3 O -","- C49 H61 Fe N3 O -","- C196 H244 Fe4 N12 O4 -","4","1","","Jonathan M. Darmon; S. Chantal E. Stieber; Kevin T. Sylvester; Ignacio Fernández; Emil Lobkovsky; Scott P. Semproni; Eckhard Bill; Karl Wieghardt; Serena DeBeer; Paul J. Chirik","Oxidative Addition of Carbon-Carbon Bonds with a Redox-Active Bis(imino)pyridine Iron Complex","Journal of the American Chemical Society","2012","134","","17125","17137","10.1021/ja306526d","","","0.71073","MoKα","","0.0842","0.0572","","","0.1433","0.1632","","","","","","1.026","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118758","23.457","0.005","11.424","0.005","26.677","0.005","90","","101.426","0.005","90","","7007","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 Fe N3 -","- C44 H43 Fe N3 -","- C352 H344 Fe8 N24 -","8","2","","Jonathan M. Darmon; S. Chantal E. Stieber; Kevin T. Sylvester; Ignacio Fernández; Emil Lobkovsky; Scott P. Semproni; Eckhard Bill; Karl Wieghardt; Serena DeBeer; Paul J. Chirik","Oxidative Addition of Carbon-Carbon Bonds with a Redox-Active Bis(imino)pyridine Iron Complex","Journal of the American Chemical Society","2012","134","","17125","17137","10.1021/ja306526d","","","0.71073","MoKα","","0.059","0.0414","","","0.0922","0.0993","","","","","","1.049","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118759","18.311","0.0006","8.0874","0.0003","25.3857","0.0008","90","","104.61","0.001","90","","3637.8","0.2","150","","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Au N2 O2 P S6 -","- C34 H30 Au N2 O2 P S6 -","- C136 H120 Au4 N8 O8 P4 S24 -","4","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0219","0.0162","","","0.0532","0.0782","","","","","","1.418","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118760","17.9569","0.0015","10.796","0.0009","14.222","0.0012","90","","102.209","0.004","90","","2694.8","0.4","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Au N3 O2 S2 Se4 -","- C18 H30 Au N3 O2 S2 Se4 -","- C72 H120 Au4 N12 O8 S8 Se16 -","4","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","x-ray","0.71073","MoKα","","0.0506","0.0426","","","0.1246","0.13","","","","","","1.137","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118761","9.5164","0.0007","12.9011","0.0009","10.9576","0.0007","90","","96.033","0.003","90","","1337.84","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Au N3 S4 Se4 -","- C18 H30 Au N3 S4 Se4 -","- C36 H60 Au2 N6 S8 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0356","0.0298","","","0.0826","0.0852","","","","","","1.178","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118762","14.135","0.003","4.137","0.0011","13.46","0.003","90","","97.14","0.03","90","","781","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S6 -","- C10 H10 Au N2 O2 S6 -","- C20 H20 Au2 N4 O4 S12 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","x-ray","0.71073","MoKα","","0.0648","0.0401","","","0.0986","0.121","","","","","","0.961","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118763","14.7952","0.0003","4.1628","0.0001","13.4493","0.0003","90","","95.717","0.008","90","","824.22","0.03","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S2 Se4 -","- C10 H10 Au N2 O2 S2 Se4 -","- C20 H20 Au2 N4 O4 S4 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0929","0.0548","","","0.1283","0.1554","","","","","","1.074","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118764","14.5116","0.0005","4.0984","0.0003","14.3554","0.0005","90","","92.613","0.004","90","","852.89","0.08","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 S4 Se4 -","- C10 H10 Au N2 S4 Se4 -","- C20 H20 Au2 N4 S8 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0272","0.0206","","","0.0393","0.041","","","","","","1.109","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118765","9.768","0.002","15.864","0.003","18.139","0.004","90","","104.84","0.03","90","","2717.1","1","240","1","240","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Motis-209(Manab)","","","- C22 H40 Cl2 N6 Ti -","- C22 H40 Cl2 N6 Ti -","- C88 H160 Cl8 N24 Ti4 -","4","1","","Manab Sharma; Haneen Simaan Yameen; Boris Tumanskii; Sabina-Alexandra Filimon; Matthias Tamm; Moris S. Eisen","Bis(1,3-di-tert-butylimidazolin-2-iminato) Titanium Complexes as Effective Catalysts for the Monodisperse Polymerization of Propylene","Journal of the American Chemical Society","2012","134","","17234","17244","10.1021/ja3071545","","","0.71073","MoKα","","0.0917","0.0441","","","0.0846","0.0929","","","","","","0.863","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118766","8.8826","0.001","10.1582","0.0012","15.4847","0.0018","100.154","0.002","96.555","0.002","108.72","0.002","1280.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Br N5 O4 S -","- C26 H24 Br N5 O4 S -","- C52 H48 Br2 N10 O8 S2 -","2","1","","Johannes Belmar; Raymond L. Funk","Total Synthesis of (\±)-Communesin F via a Cycloaddition with Indol-2-one","Journal of the American Chemical Society","2012","134","","16941","16943","10.1021/ja307277w","","","0.71073","MoKα","","0.0604","0.0474","","","0.1307","0.1394","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118767","15.598","0.006","14.092","0.005","12.888","0.004","90","","99.079","0.01","90","","2797.4","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 N3 O4 -","- C30 H37 N3 O4 -","- C120 H148 N12 O16 -","4","1","","Johannes Belmar; Raymond L. Funk","Total Synthesis of (\±)-Communesin F via a Cycloaddition with Indol-2-one","Journal of the American Chemical Society","2012","134","","16941","16943","10.1021/ja307277w","","","0.71073","MoKα","","0.1352","0.0639","","","0.1335","0.1577","","","","","","1.037","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118768","7.31328","0.00017","13.5237","0.0003","19.3724","0.0004","90","","90","","90","","1915.98","0.07","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O Si -","- C23 H24 O Si -","- C92 H96 O4 Si4 -","4","1","","Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation","Journal of the American Chemical Society","2012","134","","16955","16958","10.1021/ja3076555","","","1.54187","CuKα","","","0.057","","","","0.1199","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118769","9.68805","0.00018","10.08629","0.00018","20.5544","0.0004","90","","99.1108","0.0007","90","","1983.16","0.06","93.1","","93","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 O Si -","- C23 H26 O Si -","- C92 H104 O4 Si4 -","4","2","","Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation","Journal of the American Chemical Society","2012","134","","16955","16958","10.1021/ja3076555","","","1.54187","CuKα","","","0.0373","","","","0.1064","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118770","10.765","0.004","42.779","0.012","11.074","0.003","90","","112.42","0.009","90","","4714","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 N Ni O4 P2 -","- C57 H53 N Ni O4 P2 -","- C228 H212 N4 Ni4 O16 P8 -","4","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0544","0.0474","","","0.1173","0.1208","","","","","","1.124","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118771","14.278","0.0005","16.2816","0.0006","17.9728","0.001","103.497","0.003","100.949","0.003","115.919","0.002","3444.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H61 B F15 N Ni O5 P2 -","- C79 H61 B F15 N Ni O5 P2 -","- C158 H122 B2 F30 N2 Ni2 O10 P4 -","2","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0651","0.0557","","","0.1574","0.1677","","","","","","1.046","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118772","10.282","0.0001","15.9061","0.0002","16.4165","0.0002","110.974","0.001","94.27","0.001","95.688","0.001","2477.1","0.05","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C51 H44 Cl4 F3 N Ni O6 P2 S -","- C51 H44 Cl4 F3 N Ni O6 P2 S -","- C102 H88 Cl8 F6 N2 Ni2 O12 P4 S2 -","2","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0467","0.0438","","","0.1218","0.1246","","","","","","1.028","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118773","26.459","0.005","12.07","0.002","31.234","0.006","90","","90","","90","","9975","3","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H72 B2 Eu O6 -","- C48 H72 B2 Eu O6 -","- C384 H576 B16 Eu8 O48 -","8","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.098","0.0603","","","0.1148","0.1304","","","","","","1.136","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118774","11.431","0.002","15.283","0.003","24.648","0.005","90","","90","","90","","4306","1.4","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 B2 O5 Yb -","- C44 H60 B2 O5 Yb -","- C176 H240 B8 O20 Yb4 -","4","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0387","0.0302","","","0.0581","0.0594","","","","","","0.891","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118775","10.12","0.002","12.01","0.002","19.092","0.004","80.49","0.03","89.93","0.03","70.13","0.03","2148.5","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 B Eu N2 O2 P2 Si2 -","- C39 H59 B Eu N2 O2 P2 Si2 -","- C78 H118 B2 Eu2 N4 O4 P4 Si4 -","2","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0425","0.0376","","","0.0897","0.0914","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118776","10.104","0.002","11.976","0.002","18.965","0.004","79.88","0.03","89.61","0.03","70.33","0.03","2123.9","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 B N2 O2 P2 Si2 Yb -","- C39 H59 B N2 O2 P2 Si2 Yb -","- C78 H118 B2 N4 O4 P4 Si4 Yb2 -","2","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0527","0.0446","","","0.1072","0.1099","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118777","29.976","0.004","7.7137","0.0011","7.5088","0.001","90","","90","","90","","1736.2","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.1412","0.097","","","0.2167","0.2449","","","","","","1.19","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118778","6.8937","0.0012","15.987","0.003","16.978","0.003","90","","101.917","0.004","90","","1830.8","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C76 H116 N4 O12 -","4","2","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.094","0.0669","","","0.1347","0.1472","","","","","","1.107","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118779","13.5787","0.0015","5.2656","0.0008","14.435","0.002","90","","91.579","0.004","90","","1031.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O5 -","- C21 H31 N O5 -","- C42 H62 N2 O10 -","2","1","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.0568","0.0484","","","0.1113","0.1151","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118780","6.2177","0.0004","12.0255","0.0007","19.413","0.0011","90","","90","","90","","1451.53","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F2 N O2 S -","- C15 H15 F2 N O2 S -","- C60 H60 F8 N4 O8 S4 -","4","1","","Xiao Shen; Wei Zhang; Chuanfa Ni; Yucheng Gu; Jinbo Hu","Tuning the Reactivity of Difluoromethyl Sulfoximines from Electrophilic to Nucleophilic: Stereoselective Nucleophilic Difluoromethylation of Aryl Ketones","Journal of the American Chemical Society","2012","134","","16999","17002","10.1021/ja308419a","","","0.71073","MoKα","","0.0313","0.0295","","","0.0761","0.0776","","","","","","1.038","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118781","5.9675","0.0012","10.996","0.002","22.753","0.005","90","","90","","90","","1493","0.5","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br F2 N O2 S -","- C14 H12 Br F2 N O2 S -","- C56 H48 Br4 F8 N4 O8 S4 -","4","1","","Xiao Shen; Wei Zhang; Chuanfa Ni; Yucheng Gu; Jinbo Hu","Tuning the Reactivity of Difluoromethyl Sulfoximines from Electrophilic to Nucleophilic: Stereoselective Nucleophilic Difluoromethylation of Aryl Ketones","Journal of the American Chemical Society","2012","134","","16999","17002","10.1021/ja308419a","","","1.54178","CuKα","","0.0337","0.0333","","","0.0901","0.0905","","","","","","1.052","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118782","9.2084","0.0005","30.7322","0.0018","7.3395","0.0004","90","","96.773","0.001","90","","2062.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","- C80 H80 N8 O8 S16 -","4","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0528","0.0392","","","0.0914","0.1071","","","","","","1.084","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118783","8.5502","0.0006","7.5474","0.0006","9.7027","0.0007","90","","95.337","0.001","90","","623.42","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0317","0.0293","","","0.078","0.0804","","","","","","1.03","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118784","23.0261","0.0018","7.022","0.0006","10.1269","0.0008","90","","102.844","0.001","90","","1596.4","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0459","0.0384","","","0.0943","0.1019","","","","","","1.07","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118785","6.602","0.003","10.144","0.005","12.973","0.007","90","","95.204","0.006","90","","865.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N3 O6 -","- C15 H21 N3 O6 -","- C30 H42 N6 O12 -","2","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.1146","0.0743","","","0.1753","0.2012","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118786","18.482","0.002","5.4608","0.0005","11.513","0.0009","90","","101.623","0.009","90","","1138.14","0.19","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H13 Br O2 -","- C12 H13 Br O2 -","- C48 H52 Br4 O8 -","4","1","","Lin Zhou; Xiaohua Liu; Jie Ji; Yuheng Zhang; Xiaolei Hu; Lili Lin; Xiaoming Feng","Enantioselective Baeyer-Villiger Oxidation: Desymmetrization of Meso Cyclic Ketones and Kinetic Resolution of Racemic 2-Arylcyclohexanones","Journal of the American Chemical Society","2012","134","","17023","17026","10.1021/ja309262f","","","0.7107","MoKα","","0.0584","0.0394","","","0.0658","0.073","","","","","","1.037","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118787","26.5997","0.0015","9.6741","0.0005","31.4984","0.0018","90","","90.3563","0.0006","90","","8105.3","0.8","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Co N5 O7 S3 -","- C37 H59 Co N5 O7 S3 -","- C296 H472 Co8 N40 O56 S24 -","8","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0429","0.0328","","","0.0803","0.0853","","","","","","1.028","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4118788","9.4438","0.0004","17.481","0.0007","17.5309","0.0007","73.4591","0.0004","88.5336","0.0004","85.2907","0.0005","2765","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H69 Ca Co F3 N4 O16 S4 -","- C44 H69 Ca Co F3 N4 O16 S4 -","- C88 H138 Ca2 Co2 F6 N8 O32 S8 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0526","0.0461","","","0.1336","0.1387","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118789","21.1381","0.0008","9.0319","0.0003","21.2593","0.0008","90","","95.0347","0.0004","90","","4043.1","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Co N5 O6 S3 -","- C37 H57 Co N5 O6 S3 -","- C148 H228 Co4 N20 O24 S12 -","4","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0414","0.0335","","","0.084","0.0886","","","","","","1.035","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118790","11.2366","0.0006","15.2439","0.0007","17.5369","0.0009","71.805","0.0006","84.3928","0.0006","77.3591","0.0006","2783.1","0.2","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 Co F3 N4 O15 S4 -","- C45 H68 Ca Cl2 Co F3 N4 O15 S4 -","- C90 H136 Ca2 Cl4 Co2 F6 N8 O30 S8 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0423","0.0346","","","0.0945","0.0996","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118791","7.6668","0.0004","14.8717","0.0008","17.4049","0.0009","92.56","0.0007","96.5047","0.0007","101.754","0.0007","1925.67","0.18","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H49 Cl2 Co N4 O7 S3 -","- C34 H49 Cl2 Co N4 O7 S3 -","- C68 H98 Cl4 Co2 N8 O14 S6 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0639","0.0382","","","0.0799","0.0894","","","","","","1.016","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118792","7.7863","0.0012","11.916","0.0019","14.044","0.002","66.302","0.002","82.377","0.002","79.641","0.002","1171.1","0.3","248","2","248","2","","","","","","","","5","P -1","-P 1","2","[Cl2NN]Cu(py)","","","- C22 H18 Cl4 Cu N3 -","- C22 H18 Cl4 Cu N3 -","- C44 H36 Cl8 Cu2 N6 -","2","1","","Raymond T. Gephart; Claire L. McMullin; Nicholas G. Sapiezynski; Eun Sil Jang; Mae Joanne B. Aguila; Thomas R. Cundari; Timothy H. Warren","Reaction of CuIwith Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C-H Etherification","Journal of the American Chemical Society","2012","134","","17350","17353","10.1021/ja3053688","","","0.71073","MoKα","","0.0556","0.0456","","","0.1335","0.139","","","","","","1.068","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118793","15.735","0.002","8.2314","0.0011","27.148","0.004","90","","104.291","0.002","90","","3407.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cl2NNCu]-OCMe2Ph","","","- C35 H35 Cl4 Cu N2 O2 -","- C35 H35 Cl4 Cu N2 O2 -","- C140 H140 Cl16 Cu4 N8 O8 -","4","1","","Raymond T. Gephart; Claire L. McMullin; Nicholas G. Sapiezynski; Eun Sil Jang; Mae Joanne B. Aguila; Thomas R. Cundari; Timothy H. Warren","Reaction of CuIwith Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C-H Etherification","Journal of the American Chemical Society","2012","134","","17350","17353","10.1021/ja3053688","","","0.71073","MoKα","","0.0869","0.0475","","","0.088","0.097","","","","","","0.993","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118794","16.6","0.0017","16.6","0.0017","7.1395","0.0007","90","","90","","90","","1967.4","0.3","293","2","293","2","","","100","","","","","3","P -4","P -4","81","tetra-(4-(7-norbonadienyl)-phenyl)-silan","tetra-(4-(7-norbonadienyl)-phenyl)-silan","","- C52 H44 Si -","- C52 H44 Si -","- C104 H88 Si2 -","2","0.5","","Ulrich Stoeck; Georg Nickerl; Ulrich Burkhardt; Irena Senkovska; Stefan Kaskel","Modular Construction of a Porous Organometallic Network Based on Rhodium Olefin Complexation","Journal of the American Chemical Society","2012","134","","17335","17337","10.1021/ja305482a","","x-ray","0.71073","MoKα","","0.1267","0.0542","","","0.1069","0.1337","","","","","","0.893","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118795","28.326","0.006","33.526","0.007","38.772","0.008","82.52","0.03","70.34","0.03","66.11","0.03","31702","15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C456 H576 Cu24 O118 Si24 -","- C456 H576 Cu24 O118 Si24 -","- C912 H1152 Cu48 O236 Si48 -","2","1","","Tian-Fu Liu; Ying-Pin Chen; Andrey A. Yakovenko; Hong-Cai Zhou","Interconversion between Discrete and a Chain of Nanocages: Self-Assembly via a Solvent-Driven, Dimension-Augmentation Strategy","Journal of the American Chemical Society","2012","134","","17358","17361","10.1021/ja306150x","","","0.71073","MoKα","","0.1632","0.0942","","","0.214","0.2333","","","","","","1.014","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118796","23.318","0.004","7.5855","0.0007","10.579","0.0013","90","","101.398","0.013","90","","1834.3","0.4","144.9","","144.9","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H21 Br O4 -","- C20 H21 Br O4 -","- C80 H84 Br4 O16 -","4","1","","Ke Zheng; Xiaohua Liu; Song Qin; Mingsheng Xie; Lili Lin; Changwei Hu; Xiaoming Feng","Completely OH-Selective FeCl3-Catalyzed Prins Cyclization: Highly Stereoselective Synthesis of 4-OH-Tetrahydropyrans","Journal of the American Chemical Society","2012","134","","17564","17573","10.1021/ja3062002","","","0.7107","MoKα","","0.0469","0.0391","","","0.0614","0.0667","","","","","","1.009","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118797","10.6122","0.0003","11.6784","0.0004","12.4269","0.0004","90","","100.647","0.002","90","","1513.6","0.08","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Cl N O2 S -","- C13 H20 Cl N O2 S -","- C52 H80 Cl4 N4 O8 S4 -","4","1","","Gretchen R. Stanton; Per-Ola Norrby; Patrick J. Carroll; Patrick J. Walsh","Chelation-Controlled Addition of Organozincs to α-Chloro Aldimines","Journal of the American Chemical Society","2012","134","","17599","17604","10.1021/ja306781z","","","0.71073","MoKα","","0.0368","0.0336","","","0.0897","0.093","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118798","12.9922","0.0006","7.2462","0.0003","21.1428","0.0011","90","","102.75","0.002","90","","1941.39","0.16","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N O2 S -","- C20 H24 Cl N O2 S -","- C80 H96 Cl4 N4 O8 S4 -","4","1","","Gretchen R. Stanton; Per-Ola Norrby; Patrick J. Carroll; Patrick J. Walsh","Chelation-Controlled Addition of Organozincs to α-Chloro Aldimines","Journal of the American Chemical Society","2012","134","","17599","17604","10.1021/ja306781z","","","0.71073","MoKα","","0.0367","0.0342","","","0.091","0.0925","","","","","","1.164","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118799","14.41336","0.0001","14.41336","","14.41336","","90","","90","","90","","2994.3","0.02","298","","298","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al0.1 Na0.09 O Si0.4 -","- Al0.1 Na0.0948908 O Si0.4 -","- Al9.6 Na9.10952 O96 Si38.4 -","96","2","","Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright","Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases","Journal of the American Chemical Society","2012","134","","17628","17642","10.1021/ja3070864","powder diffraction","x-ray","0.827159","synchrotron","","","","","","","","0.06993","","1.53","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118800","14.62823","0.00006","14.62823","","14.62823","","90","","90","","90","","3130.22","0.013","298","","298","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C0.11 Al0.1 Na0.1 O1.21 Si0.4 -","- C0.105255 Al0.1 Na0.0958333 O1.21051 Si0.4 -","- C10.1045 Al9.6 Na9.2 O116.209 Si38.4 -","96","2","","Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright","Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases","Journal of the American Chemical Society","2012","134","","17628","17642","10.1021/ja3070864","powder diffraction","x-ray","0.827159","synchrotron","","","","","","","","0.07395","","2.43","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118801","12.0762","0.0008","13.2664","0.0008","15.0653","0.0011","80.999","0.006","71.602","0.005","83.461","0.006","2256.6","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","5,5-difluoro-3-((E)-2-(4'-hexyl-[2,2'-bithiophen]-5-yl)vinyl)-7- ((E)-2-(5-hexyl-[2,3'-bithiophen]-5'-yl) vinyl)-10-(4-iodophenyl)-1,9-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinin-4-ium-5-uide","","- C49 H50 B F2 I N2 S4 -","- C49 H50 B F2 I N2 S4 -","- C98 H100 B2 F4 I2 N4 S8 -","2","1","","Thomas Bura; Nicolas Leclerc; Sadiara Fall; Patrick Lévêque; Thomas Heiser; Pascal Retailleau; Sandra Rihn; Antoine Mirloup; Raymond Ziessel","High-Performance Solution-Processed Solar Cells and Ambipolar Behavior in Organic Field-Effect Transistors with Thienyl-BODIPY Scaffoldings","Journal of the American Chemical Society","2012","134","","17404","17407","10.1021/ja3072513","","","1.54187","CuKα","","0.094","0.061","","","0.1327","0.1658","","","","","","1.115","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118802","10.5783","0.0014","12.3288","0.0017","17.236","0.002","90","","93.714","0.002","90","","2243.2","0.5","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N12 O4 Zn2 -","- C14 H24 N12 O4 Zn2 -","- C56 H96 N48 O16 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0395","0.0334","","","0.0937","0.0985","","","","","","1.03","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118803","10.7032","0.0011","12.319","0.0012","17.0785","0.0017","90","","95.532","0.002","90","","2241.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0363","0.032","","","0.0861","0.0904","","","","","","1.035","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118804","10.68","0.003","12.356","0.003","17.104","0.005","90","","95.47","0.004","90","","2246.8","1.1","195","2","195","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0493","0.0359","","","0.0885","0.0965","","","","","","1.054","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118805","10.665","0.001","12.4195","0.0012","17.1416","0.0016","90","","95.38","0.001","90","","2260.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0423","0.0307","","","0.0806","0.0878","","","","","","1.031","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118806","10.6825","0.0013","12.3388","0.0015","17.126","0.002","90","","95.447","0.002","90","","2247.2","0.5","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.07 H16 N12 O0.15 Zn2 -","- C14.073 H16 N12 O0.146 Zn2 -","- C56.292 H64 N48 O0.584 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0391","0.0298","","","0.078","0.0839","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118807","10.8291","0.0017","12.529","0.002","16.848","0.003","90","","94.993","0.003","90","","2277.2","0.7","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.51 H16 N12 O3.02 Zn2 -","- C15.511 H16 N12 O3.022 Zn2 -","- C62.044 H64 N48 O12.088 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0496","0.0432","","","0.1186","0.1225","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118808","10.877","0.005","12.829","0.006","16.881","0.008","90","","94.445","0.006","90","","2348.5","1.9","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16.8 H16 N12 O5.6 Zn2 -","- C16.8 H16 N12 O5.6 Zn2 -","- C67.2 H64 N48 O22.4 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0523","0.0447","","","0.1221","0.1275","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118809","18.1681","0.0006","16.4128","0.0007","22.4646","0.0008","90","","116.419","0.002","90","","5999.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 F6 O6 P2 Pd S2 -","- C21 H42 F6 O6 P2 Pd S2 -","- C168 H336 F48 O48 P16 Pd8 S16 -","8","2","","Philipp Roesle; Christoph J. Dürr; Heiko M. Möller; Luigi Cavallo; Lucia Caporaso; Stefan Mecking","Mechanistic Features of Isomerizing Alkoxycarbonylation of Methyl Oleate","Journal of the American Chemical Society","2012","134","","17696","17703","10.1021/ja307411p","","","0.71073","MoKα","","0.0806","0.0727","","","0.162","0.1646","","","","","","1.33","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118810","11.1756","0.0003","12.7568","0.0003","14.323","0.0007","90","","90","","90","","2041.96","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 Au Cl P S -","- C18 H31 Au Cl P S -","- C72 H124 Au4 Cl4 P4 S4 -","4","1","","Yingdong Luo; Kegong Ji; Yuxue Li; Liming Zhang","Tempering the Reactivities of Postulated α-Oxo Gold Carbenes Using Bidentate Ligands: Implication of Tricoordinated Gold Intermediates and the Development of an Expedient Bimolecular Assembly of 2,4-Disubstituted Oxazoles","Journal of the American Chemical Society","2012","134","","17412","17415","10.1021/ja307948m","","","0.71073","MoKα","","0.0253","0.0229","","","0.0491","0.0497","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118811","20.709","0.003","12.9232","0.0018","23.009","0.003","90","","90","","90","","6157.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H16 Br4 Cl4 O3 -","- C30 H20 Br4 Cl4 O3 -","- C240 H160 Br32 Cl32 O24 -","8","1","","Hiroki Takezawa; Takashi Murase; Makoto Fujita","Temporary and Permanent Trapping of the Metastable Twisted Conformer of an Overcrowded Chromic Alkene via Encapsulation","Journal of the American Chemical Society","2012","134","","17420","17423","10.1021/ja308101a","","","0.71073","MoKα","","0.0672","0.0405","","","0.0721","0.0838","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118812","10.3442","0.0004","12.3935","0.0004","14.0201","0.0005","107.678","0.002","90.213","0.002","112.531","0.002","1567.01","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(4Z,5Z)-5-[bis(trimethylsilyl)hydrazin-1-ylidene]-1,3-bis(trimethylsilyl)-4- (2-trimethylsilyl)hydrazin-1-ylidene)pyrazole","","- C18 H46 N6 Si5 -","- C18 H46 N6 Si5 -","- C36 H92 N12 Si10 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0837","0.0507","","","0.1109","0.1211","","","","","","1.048","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118813","9.3503","0.0003","12.6572","0.0004","12.7666","0.0004","117.845","0.001","110.488","0.001","91.987","0.001","1215.12","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(trimethylsilyl)diazomethane","","- C7 H18 N2 Si2 -","- C7 H18 N2 Si2 -","- C28 H72 N8 Si8 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0493","0.0388","","","0.1035","0.108","","","","","","1.052","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118814","14.3146","0.0017","14.1503","0.0017","23.972","0.003","90","","90","","90","","4855.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-bis(trimethylsilyl)aminoisonitrile","","- C7 H18 N2 Si2 -","- C7 H18 N2 Si2 -","- C112 H288 N32 Si32 -","16","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0782","0.0415","","","0.0963","0.1071","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118815","16.8725","0.0009","12.8944","0.0007","19.1131","0.0011","90","","104.297","0.002","90","","4029.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-bis(trimethylsilyl)amino-trimethylsilylisonitrilium tetrakis(pentafluorophenyl)borate","","- C34 H27 B F20 N2 Si3 -","- C34 H27 B F20 N2 Si3 -","- C136 H108 B4 F80 N8 Si12 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0665","0.042","","","0.1118","0.1216","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118816","10.7784","0.0004","13.0786","0.0006","12.4834","0.0005","90","","107.655","0.002","90","","1676.86","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N,N-bis(trimethylsilyl)amino-trimethylsilylisonitrilium closo-7,8,9,10,11,12-hexabromocarboranate","","- C11 H33 B11 Br6 N2 Si3 -","- C11 H33 B11 Br6 N2 Si3 -","- C22 H66 B22 Br12 N4 Si6 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0633","0.0351","","","0.0634","0.0709","","","","","","0.975","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118817","16.8136","0.0004","12.8837","0.0003","19.1298","0.0005","90","","104.172","0.001","90","","4017.8","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-bis(trimethylsilyl)amino-N-(trimethylsilyl)nitrilium tetrakis(pentafluorophenyl)borate","","- C34 H27 B F20 N2 Si3 -","- C34 H27 B F20 N2 Si3 -","- C136 H108 B4 F80 N8 Si12 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0654","0.0385","","","0.0992","0.1078","","","","","","1.061","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118818","17.1527","0.0007","17.3935","0.0007","16.4602","0.0007","90","","99.545","0.002","90","","4842.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H33 B F20 N2 Si2 -","- C50 H33 B F20 N2 Si2 -","- C200 H132 B4 F80 N8 Si8 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.1238","0.0471","","","0.0797","0.1048","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118819","11.0271","0.0004","11.5575","0.0004","12.7306","0.0005","72.3","0.002","65.855","0.002","82.876","0.002","1410.43","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(trimethylsilyl)aminoisonitrile tris(pentafluorophenyl)borane adduct","","- C25 H18 B F15 N2 Si2 -","- C25 H18 B F15 N2 Si2 -","- C50 H36 B2 F30 N4 Si4 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.042","0.0341","","","0.1001","0.1043","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118820","11.0352","0.0005","11.5683","0.0005","12.7373","0.0006","72.303","0.002","65.866","0.002","82.875","0.002","1413.67","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(trimethylsilyl)aminoisonitrile tris(pentafluorophenyl)borane adduct","","- C25 H18 B F15 N2 Si2 -","- C25 H18 B F15 N2 Si2 -","- C50 H36 B2 F30 N4 Si4 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0853","0.0451","","","0.1002","0.1116","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118821","11.9027","0.0006","13.7351","0.0007","21.8917","0.0011","84.898","0.002","86.585","0.002","79.752","0.002","3504.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole","","- C21 H54 N6 Si6 -","- C21 H54 N6 Si6 -","- C84 H216 N24 Si24 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0827","0.0485","","","0.1238","0.1347","","","","","","1.073","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118822","11.5287","0.0004","12.7713","0.0004","13.9033","0.0005","96.101","0.002","108.397","0.002","92.853","0.002","1923.91","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole n-hexane hemisolvate","","- C24 H61 N6 Si6 -","- C24 H61 N6 Si6 -","- C48 H122 N12 Si12 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0758","0.0434","","","0.1149","0.1251","","","","","","1.069","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118823","11.7738","0.0005","12.8782","0.0006","13.945","0.0006","95.703","0.002","104.49","0.002","94.198","0.002","2026.44","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole hexamethyldisiloxane hemisolvate","","- C24 H63 N6 O0.5 Si7 -","- C24 H63 N6 O0.5 Si7 -","- C48 H126 N12 O Si14 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0622","0.0393","","","0.1076","0.1161","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118824","21.273","0.0003","11.9713","0.0002","17.7886","0.0002","90","","99.588","0.001","90","","4466.86","0.11","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C43 H46 O10 -","- C43 H46 O10 -","- C172 H184 O40 -","4","1","","Nathan L. Strutt; David Fairen-Jimenez; Julien Iehl; Marianne B. Lalonde; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp; J. Fraser Stoddart","Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","17436","17439","10.1021/ja3082523","","","1.54178","CuKα","","0.0684","0.0645","","","0.2009","0.2036","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118825","14.5211","0.0002","34.3107","0.0004","11.8765","0.0001","90","","97.264","0.001","90","","5869.73","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H61 N O13 -","- C60 H61 N O13 -","- C240 H244 N4 O52 -","4","1","","Nathan L. Strutt; David Fairen-Jimenez; Julien Iehl; Marianne B. Lalonde; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp; J. Fraser Stoddart","Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","17436","17439","10.1021/ja3082523","","","1.54178","CuKα","","0.0669","0.0574","","","0.1587","0.1648","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118826","14.5704","0.0011","15.7185","0.0012","30.632","0.002","90","","96.597","0.001","90","","6969","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H74 N10 Ni2 O12 S2 -","- C75 H74 N10 Ni2 O12 S2 -","- C300 H296 N40 Ni8 O48 S8 -","4","1","","Eunsung Lee; Jacob M. Hooker; Tobias Ritter","Nickel-Mediated Oxidative Fluorination for PET with Aqueous [18F] Fluoride","Journal of the American Chemical Society","2012","134","","17456","17458","10.1021/ja3084797","","","0.71073","MoKα","","0.104","0.0605","","","0.1416","0.1627","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118827","11.4943","0.0002","12.2951","0.0002","16.956","0.0003","90","","90","","90","","2396.28","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N3 O3 -","- C25 H39 N3 O3 -","- C100 H156 N12 O12 -","4","1","","Pavol Jakubec; Alison Hawkins; Wolfgang Felzmann; Darren J. Dixon","Total Synthesis of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2012","134","","17482","17485","10.1021/ja308826x","","","0.71073","MoKα","","0.0786","0.0476","","0.1408","0.1088","0.1408","","","","","","0.9183","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118828","10.3715","0.0002","8.9189","0.0002","11.0807","0.0003","90","","114.652","0.001","90","","931.57","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O7 -","- C19 H26 N2 O7 -","- C38 H52 N4 O14 -","2","1","","Pavol Jakubec; Alison Hawkins; Wolfgang Felzmann; Darren J. Dixon","Total Synthesis of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2012","134","","17482","17485","10.1021/ja308826x","","","0.71073","MoKα","","0.061","0.0409","","0.0881","0.0803","0.0881","","","","","","0.9389","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118829","7.6481","0.0009","8.8247","0.0011","11.7268","0.0014","90","","93.619","0.002","90","","789.89","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","0.71073","MoKα","","0.0671","0.0449","","","0.1239","0.1445","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118830","9.9834","0.0014","18.151","0.003","27.004","0.004","90","","98.644","0.002","90","","4837.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H46 Cl3 N2 P2 Pd2 -","- C50.5 H46 Cl3 N2 P2 Pd2 -","- C202 H184 Cl12 N8 P8 Pd8 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","0.71073","MoKα","","0.0646","0.0454","","","0.1176","0.1292","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118831","10.03684","0.00017","27.5045","0.0004","17.5871","0.0003","90","","97.1843","0.0015","90","","4816.95","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Br2 N2 P2 Pd2 -","- C50 H46 Br2 N2 P2 Pd2 -","- C200 H184 Br8 N8 P8 Pd8 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","1.5418","CuKα","","0.0585","0.0532","","","0.1538","0.1591","","","","","","1.056","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118832","10.3377","0.0011","11.1725","0.0012","19.4295","0.0019","87.286","0.005","79.613","0.005","88.849","0.006","2204.7","0.4","303.2","0.1","303.2","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.0819","0.0541","","","0.1383","0.1605","","","","","","1.063","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118833","10.3858","0.0017","11.276","0.002","19.379","0.003","87.288","0.01","81.024","0.007","88.6","0.01","2238.8","0.6","373.2","0.1","373.2","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.1144","0.0662","","","0.1716","0.2066","","","","","","1.027","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118834","10.211","0.004","11.919","0.006","18.54","0.007","85.67","0.03","86.5","0.03","87.66","0.04","2244.3","1.7","401.2","0.2","401.2","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.1957","0.1097","","","0.2798","0.3624","","","","","","1.042","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118835","10.1942","0.0012","11.1306","0.0015","19.424","0.002","86.904","0.004","77.795","0.004","88.815","0.005","2150.9","0.4","113.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.7 F6 Fe N O8 P0.3 -","- C43 H54 As0.7 F6 Fe N O8 P0.3 -","- C86 H108 As1.4 F12 Fe2 N2 O16 P0.6 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0763","","","","0.0868","","","","","","1.238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118836","10.1083","0.0015","11.6133","0.0017","17.984","0.002","85.696","0.004","87.424","0.005","88.937","0.004","2102.8","0.5","113.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 As F6 Fe N O8 -","- C43 H54 As F6 Fe N O8 -","- C86 H108 As2 F12 Fe2 N2 O16 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0288","","","","0.0374","","","","","","0.606","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118837","11.714","0.0017","16.999","0.002","10.2955","0.0014","93.325","0.004","92.377","0.003","88.795","0.003","2044.5","0.5","113.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 F6 Fe N O8 P -","- C42 H52 F6 Fe N O8 P -","- C84 H104 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.035","","","","0.0486","","","","","","0.964","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118838","10.669","0.008","11.889","0.01","16.255","0.011","78.87","0.03","77.94","0.03","85.64","0.03","1977","3","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 F6 Fe N O8 P -","- C37 H50 F6 Fe N O8 P -","- C74 H100 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0637","","","","0.0828","","","","","","0.967","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118839","51.02","0.01","5.7091","0.0011","9.941","0.002","90","","94.55","0.03","90","","2886.5","1","180","2","180","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Co N2 O4 -","- C24 H52 Co N2 O4 -","- C96 H208 Co4 N8 O16 -","4","0.5","","Nikos Liakakos; Benoît Cormary; Xiaojian Li; Pierre Lecante; Marc Respaud; Laurent Maron; Andrea Falqui; Alessandro Genovese; Laure Vendier; Spyros Koïnis; Bruno Chaudret; Katerina Soulantica","The Big Impact of a Small Detail: Cobalt Nanocrystal Polymorphism as a Result of Precursor Addition Rate during Stock Solution Preparation","Journal of the American Chemical Society","2012","134","","17922","17931","10.1021/ja304487b","","","0.71073","MoKα","","0.0968","0.0636","","","0.1208","0.1356","","","","","","0.991","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118840","5.4579","0.0015","12.568","0.004","21.459","0.006","90","","93.467","0.006","90","","1469.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","k080409","","","- C42 H28 N2 -","- C42 H28 N2 -","- C84 H56 N4 -","2","0.5","","Kyung-Ryang Wee; Yang-Jin Cho; Soyeong Jeong; Soonnam Kwon; Jong-Dae Lee; Il-Hwan Suh; Sang Ook Kang","Carborane-Based Optoelectronically Active Organic Molecules: Wide Band Gap Host Materials for Blue Phosphorescence","Journal of the American Chemical Society","2012","134","","17982","17990","10.1021/ja3066623","","","0.71073","mokα","","0.0971","0.0446","","","0.1009","0.1288","","","","","","1.03","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118841","11.6333","0.0003","15.5748","0.0004","32.6991","0.0008","101.06","0.001","90.252","0.001","110.141","0.001","5443","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(ArDpme)CoCl(py)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(II) chloride pyridine","","- C71 H54 Cl Co N3 -","- C71 H54 Cl Co N3 -","- C284 H216 Cl4 Co4 N12 -","4","2","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.0727","0.0421","","","0.0836","0.0946","","","","","","1.01","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118842","20.485","0.002","17.5727","0.0017","14.6905","0.0015","90","","94.802","0.002","90","","5269.7","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(ArDpme)Co(py)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(I) pyridine","","- C71 H54 Co N3 -","- C71 H54 Co N3 -","- C284 H216 Co4 N12 -","4","0.5","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.1043","0.0743","","","0.223","0.2461","","","","","","1.047","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118843","12.5057","0.001","12.8018","0.001","21.6877","0.0018","75.774","0.0013","81.273","0.0014","84.329","0.0013","3319.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ArDpme)Co(N4(C6H4-p-NMe2)2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) bis(4-dimethylaminophenyl)tetrazene","","- C86.5 H81 Co N8 -","- C86.5 H81 Co N8 -","- C173 H162 Co2 N16 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.096","0.0584","","","0.152","0.1742","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118844","11.8393","0.0019","16.0454","0.0025","16.3923","0.0025","89.3622","0.0031","87.7742","0.0031","72.6584","0.0031","2970.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ArDpme)Co(NtBu)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) tert-butylimide","","- C79 H70.33 Co N3 -","- C79 H70.332 Co N3 -","- C158 H140.664 Co2 N6 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.093","0.0499","","","0.1056","0.1222","","","","","","1.01","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118845","11.7041","0.0013","16.763","0.002","17.822","0.002","70.312","0.002","70.894","0.002","78.788","0.002","3096.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ArDpmeCo(NH(C6H2-2,4-Me2)-6-CH2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinato -5,7-dimethyl-2-cobalt(III)-metallacycloindoline","","- C81 H75 Co N3 O1.5 -","- C81 H75 Co N3 O1.5 -","- C162 H150 Co2 N6 O3 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.41328","synchrotron","","0.1095","0.0658","","","0.1645","0.1928","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118846","11.464","0.003","14.775","0.005","18.824","0.004","93.842","0.006","102.272","0.004","101.405","0.004","3034.2","1.5","373","2","373","2","","","","","","","","5","P -1","-P 1","2","ArDpmeCo(N4tBu2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) di-tert-butyltetrazene","","- C78 H77 Co N6 O -","- C78 H77 Co N6 O -","- C156 H154 Co2 N12 O2 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.41328","synchrotron","","0.1934","0.1122","","","0.2797","0.3127","","","","","","1.06","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118847","29.7963","0.0016","8.408","0.0005","21.7444","0.0011","90","","90","","90","","5447.6","0.5","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C23.5 H24 Cl F6 N4 O2 P Pt -","- C23.5 H24 Cl F6 N4 O2 P Pt -","- C188 H192 Cl8 F48 N32 O16 P8 Pt8 -","8","2","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0844","0.0657","","","0.1243","0.1345","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118848","9.8985","0.0012","15.6407","0.0019","14.4655","0.0018","90","","97.59","0.003","90","","2219.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N4 O3 Pt -","- C24 H27 N4 O3 Pt -","- C96 H108 N16 O12 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0443","0.036","","","0.0621","0.0639","","","","","","1.186","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118849","8.8562","0.0013","10.4837","0.0019","16.091","0.003","81.251","0.017","75.385","0.017","66.316","0.013","1321.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N4 O4 Pt -","- C27 H35 N4 O4 Pt -","- C54 H70 N8 O8 Pt2 -","2","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0713","0.0601","","","0.1226","0.1275","","","","","","1.09","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118850","9.9464","0.0014","15.361","0.002","14.3","0.002","90","","97.978","0.003","90","","2163.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N4 O3 Pt -","- C23 H25 N4 O3 Pt -","- C92 H100 N16 O12 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0501","0.0425","","","0.0743","0.0764","","","","","","1.27","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118851","8.97","0.0018","18.36","0.004","15.8","0.003","90","","91.34","0.005","90","","2601.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl4 N6 O2 Pt -","- C21 H25 Cl4 N6 O2 Pt -","- C84 H100 Cl16 N24 O8 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0719","0.0476","","","0.0932","0.1007","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118852","7.9721","0.0003","17.2319","0.0008","18.5026","0.0009","109.117","0.002","91.667","0.003","93.427","0.003","2394.12","0.19","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.097","0.0467","","0.0801","0.0554","0.0554","","","","","","1.1129","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118853","13.8948","0.0009","14.4076","0.0008","14.5193","0.0007","61.552","0.003","70.858","0.003","74.447","0.003","2392.3","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.1133","0.0693","","0.0822","0.0643","0.0643","","","","","","1.1112","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118854","7.9799","0.0002","17.2385","0.0006","18.5251","0.0006","109.097","0.0015","91.517","0.002","93.5899","0.0019","2400.39","0.13","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.095","0.0539","","0.0651","0.0613","0.0613","","","","","","1.1372","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118855","62.312","0.009","62.312","0.009","62.312","0.009","90","","90","","90","","241944","6","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C12 H24 Cu4 I4 N4 -","- C12 H20.4706 Cu4 I4 N4 -","- C1632 H2784 Cu544 I544 N544 -","136","0.708333","","Yao Kang; Fei Wang; Jian Zhang; Xianhui Bu","Luminescent MTN-Type Cluster-Organic Framework with 2.6 nm Cages","Journal of the American Chemical Society","2012","134","","17881","17884","10.1021/ja308801n","","","0.71073","MoKα","","0.1589","0.1079","","","0.2941","0.3337","","","","","","1.094","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118856","32.8634","0.0009","8.0309","0.0002","14.6844","0.0004","90","","97.328","0.001","90","","3843.89","0.18","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 F2 O2 -","- C12 H8 F2 O2 -","- C192 H128 F32 O32 -","16","2","","Simon N. Kessler; Markus Neuburger; Hermann A. Wegner","Domino Inverse Electron-Demand Diels-Alder/Cyclopropanation Reaction of Diazines Catalyzed by a Bidentate Lewis Acid","Journal of the American Chemical Society","2012","134","","17885","17888","10.1021/ja308858y","","","0.71073","MoKα","","0.0903","0.0625","","0.1668","0.0791","0.0642","","","","","","1.1864","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118857","7.9941","0.0002","8.7241","0.0003","8.9308","0.0003","85.784","0.002","70.323","0.002","81.371","0.002","579.66","0.03","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Simon N. Kessler; Markus Neuburger; Hermann A. Wegner","Domino Inverse Electron-Demand Diels-Alder/Cyclopropanation Reaction of Diazines Catalyzed by a Bidentate Lewis Acid","Journal of the American Chemical Society","2012","134","","17885","17888","10.1021/ja308858y","","","0.71073","MoKα","","0.0604","0.0396","","0.0807","0.0439","0.0407","","","","","","1.1138","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118858","7.4048","0.0002","17.3672","0.0004","17.951","0.0006","90","","95.847","0.001","90","","2296.5","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B2 N4 -","- C24 H30 B2 N4 -","- C96 H120 B8 N16 -","4","1","","Momar Toure; Olivier Chuzel; Jean-Luc Parrain","Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation","Journal of the American Chemical Society","2012","134","","17892","17895","10.1021/ja309018f","","x-ray","0.71073","MoKα","","0.1564","0.0933","","","0.2348","0.2742","","","","","","1.076","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118859","16.0455","0.0003","7.5096","0.0001","26.2686","0.0007","90","","90","","90","","3165.24","0.11","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B N2 -","- C16 H23 B N2 -","- C128 H184 B8 N16 -","8","1","","Momar Toure; Olivier Chuzel; Jean-Luc Parrain","Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation","Journal of the American Chemical Society","2012","134","","17892","17895","10.1021/ja309018f","","x-ray","0.71073","MoKα","","0.1498","0.0855","","","0.2264","0.2769","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118860","13.2013","0.0007","14.5468","0.0007","14.6172","0.0007","90","","106.826","0.002","90","","2686.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H84 N2 Si4 -","- C52 H84 N2 Si4 -","- C104 H168 N4 Si8 -","2","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.0593","0.0444","","","0.0965","0.1031","","","","","","1.127","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118861","10.1004","0.0003","10.1085","0.0003","15.9835","0.0004","77.184","0.001","89.472","0.002","76.692","0.001","1547.02","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H31 N3 -","- C42 H31 N3 -","- C84 H62 N6 -","2","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.0601","0.0443","","","0.1088","0.1151","","","","","","1.364","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118862","47.9783","0.0016","47.9783","0.0016","16.4921","0.0007","90","","90","","120","","32877","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C70 H104 N4 Si4 -","- C70 H104 N4 Si4 -","- C1260 H1872 N72 Si72 -","18","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.199","0.154","","","0.3991","0.416","","","","","","2.775","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118863","9.6156","0.0003","9.7142","0.0003","10.8697","0.0003","106.306","0.002","93.996","0.002","118.475","0.002","831.28","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","","Nicolas Guimond; Christina Gouliaras; Keith Fagnou","Correction to Rhodium(III)-Catalyzed Isoquinolone Synthesis: The N-O Bond as a Handle for C-N Bond Formation and Catalyst Turnover","Journal of the American Chemical Society","2012","134","","18148","18148","10.1021/ja3096625","","","0.71073","MoKα","","0.0486","0.0394","","","0.1118","0.12","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118864","11.967","0.002","14.415","0.002","22.293","0.004","90","","92.789","0.007","90","","3841.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H71 N4 O4 P -","- C32 H71 N4 O4 P -","- C128 H284 N16 O16 P4 -","4","1","","Kevin J. T. Noonan; Kristina M. Hugar; Henry A. Kostalik; Emil B. Lobkovsky; Héctor D. Abruña; Geoffrey W. Coates","Phosphonium-Functionalized Polyethylene: A New Class of Base-Stable Alkaline Anion Exchange Membranes","Journal of the American Chemical Society","2012","134","","18161","18164","10.1021/ja307466s","","","0.71073","MoKα","","0.0683","0.047","","","0.129","0.1451","","","","","","1.03","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118865","24.34","0.002","5.8369","0.0004","21.6277","0.0013","90","","95.706","0.005","90","","3057.4","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C40 H41 N -","- C40 H41 N -","- C160 H164 N4 -","4","1","","Toan V. Pho; Jonathan D. Yuen; Joshua A. Kurzman; Braden G. Smith; Maosheng Miao; Wesley T. Walker; Ram Seshadri; Fred Wudl","N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors","Journal of the American Chemical Society","2012","134","","18185","18188","10.1021/ja3082582","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118866","5.54059","0.00016","10.0757","0.0004","10.3999","0.0004","97.848","0.003","100.309","0.003","90.16","0.003","565.63","0.04","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","1","1","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0303","0.0298","","","0.0846","0.0852","","","","","","1.079","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118867","5.91759","0.00003","11.50337","0.00005","24.58172","0.00011","90","","90","","90","","1673.33","0.013","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0246","0.0245","","","0.0671","0.0672","","","","","","1.042","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118868","5.94049","0.00007","31.6895","0.0003","10.02062","0.00007","90","","91.7156","0.0008","90","","1885.55","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","2","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0589","0.0574","","","0.169","0.1703","","","","","","1.059","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118869","7.2946","0.0003","13.3574","0.0005","22.0331","0.0009","90","","90","","90","","2146.84","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O4 Si -","- C21 H36 O4 Si -","- C84 H144 O16 Si4 -","4","1","","Jie Wu; Yi Pu; James S. Panek","Divergent Synthesis of Functionalized Carbocycles through Organosilane-Directed Asymmetric Alkyne-Alkene Reductive Coupling and Annulation Sequence","Journal of the American Chemical Society","2012","134","","18440","18446","10.1021/ja3083945","","","1.54184","CuKα","","0.0477","0.0394","","","0.0957","0.1","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118870","12.7662","0.0008","12.1448","0.0008","14.8497","0.001","90","","94.305","0.001","90","","2295.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 N2 O9 P Re S -","- C17 H17 F3 N2 O9 P Re S -","- C68 H68 F12 N8 O36 P4 Re4 S4 -","4","1","","Agustin E. Pierri; Alessia Pallaoro; Guang Wu; Peter C. Ford","A Luminescent and Biocompatible PhotoCORM","Journal of the American Chemical Society","2012","134","","18197","18200","10.1021/ja3084434","","","0.71073","MoKα","","0.0212","0.016","","","0.029","0.0296","","","","","","1.56","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118871","16.155","0.003","14.31","0.003","17.608","0.004","90","","94.99","0.02","90","","4055.2","1.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dimitry-171","","","- C37 H73 Li O2 Si3 -","- C37 H73 Li O2 Si3 -","- C148 H292 Li4 O8 Si12 -","4","1","","Lieby Zborovsky; Roman Dobrovetsky; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Synthesis of Silenyllithiums Li(R'3Si)Si=C(SiR3)(1-Ad) via Transient Silyne-Silylidene Intermediates","Journal of the American Chemical Society","2012","134","","18229","18232","10.1021/ja308777v","","","0.71073","MoKα","","0.1347","0.0615","","","0.1376","0.1571","","","","","","0.985","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118872","21.474","0.004","11.565","0.002","50.33","0.01","90","","92.25","0.01","90","","12490","4","240","1","240","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dimitry-180","","","- C52 H109 Li3 O4 Si5 -","- C52 H109 Li3 O4 Si5 -","- C416 H872 Li24 O32 Si40 -","8","1","","Lieby Zborovsky; Roman Dobrovetsky; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Synthesis of Silenyllithiums Li(R'3Si)Si=C(SiR3)(1-Ad) via Transient Silyne-Silylidene Intermediates","Journal of the American Chemical Society","2012","134","","18229","18232","10.1021/ja308777v","","","0.71073","MoKα","","0.0908","0.0527","","","0.1354","0.144","","","","","","0.919","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118873","9.0651","0.0002","20.1439","0.0004","27.5076","0.0005","90","","90","","90","","5023.07","0.17","173.2","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O3 Si2 -","- C22 H38 O3 Si2 -","- C176 H304 O24 Si16 -","8","2","","Austin G. Smith; Huw M. L. Davies","Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates","Journal of the American Chemical Society","2012","134","","18241","18244","10.1021/ja3092399","","","1.54184","CuKα","","0.0312","0.0301","","","0.0762","0.077","","","","","","1.081","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118874","13.2013","0.0016","14.1841","0.0017","9.6256","0.0012","90","","123.066","0.001","90","","1510.5","0.3","173.2","","173.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","1","","Austin G. Smith; Huw M. L. Davies","Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates","Journal of the American Chemical Society","2012","134","","18241","18244","10.1021/ja3092399","","","0.71073","MoKα","","0.0398","0.0342","","","0.0839","0.0873","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118875","23.919","0.002","23.919","0.002","23.919","0.002","90","","90","","90","","13685","2","100","2","100","2","","","101.3","","","","","5","I -4 3 d","I -4bd 2c 3","220","tris(3,5-dimethylphenyl(tertbutyl)amido)-(eta-2-peroxo)-vanadium","tris(3,5-dimethylphenyl(tertbutyl)amido)-(eta-2-peroxo)-vanadium","","- C36 H54 N3 O2 V -","- C36 H54 N3 O1.98 V -","- C576 H864 N48 O31.68 V16 -","16","0.333333","","Anthony F. Cozzolino; Daniel Tofan; Christopher C. Cummins; Manuel Temprado; Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Burjor Captain; Carl D. Hoff","Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex","Journal of the American Chemical Society","2012","134","","18249","18252","10.1021/ja309621h","","x-ray","0.71073","MoKα","","0.0386","0.0319","","","0.0772","0.0826","","","","","","1.091","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118876","9.8729","0.0019","19.708","0.004","19.941","0.004","90","","90","","90","","3880","1.3","100","2","100","2","","","101.3","","","","","5","P 21 21 21","P 2ac 2ab","19","tert-butyl-acylimido Vanadium trisanilide","tris(3,5-dimethylphenyl(tertbutyl)amido)-(tertbutylacylimido)-Vanadium(V)","","- C41 H63 N4 O V -","- C41 H63 N4 O V -","- C164 H252 N16 O4 V4 -","4","1","","Anthony F. Cozzolino; Daniel Tofan; Christopher C. Cummins; Manuel Temprado; Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Burjor Captain; Carl D. Hoff","Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex","Journal of the American Chemical Society","2012","134","","18249","18252","10.1021/ja309621h","","x-ray","0.71073","MoKα","","0.0799","0.0622","","","0.1143","0.1211","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118877","20.879","0.008","7.466","0.003","24.181","0.008","90","","105.549","0.006","90","","3631","2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 N2 Ni2 S20 -","- C24 H12 N2 Ni2 S20 -","- C96 H48 N8 Ni8 S80 -","4","1","","Toshio Naito; Tomoaki Karasudani; Shigeki Mori; Keishi Ohara; Kensuke Konishi; Takahiro Takano; Yukihiro Takahashi; Tamotsu Inabe; Sadafumi Nishihara; Katsuya Inoue","Molecular Photoconductor with Simultaneously Photocontrollable Localized Spins","Journal of the American Chemical Society","2012","134","","18656","18666","10.1021/ja306260b","","","0.71075","MoKα","","","0.0841","","","","0.0897","","","","","","1.412","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118878","16.4064","0.0011","16.4064","0.0011","13.5188","0.0018","90","","90","","120","","3151.3","0.5","153","2","153","2","","","","","","","","5","P 63","P 6c","173","","","","- C7 H18 Br4 Fe N -","- C6.99975 H17.9993 Br4 Fe N -","- C55.998 H143.994 Br32 Fe8 N8 -","8","1.33333","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.1457","0.1378","","","0.4237","0.4495","","","","","","1.487","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118879","8.169","0.007","8.169","0.007","13.411","0.003","90","","90","","120","","775","1","203","2","203","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H17.94 Br4 Fe N -","- C14 H35.88 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0591","0.0557","","","0.1594","0.1632","","","","","","1.146","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118880","8.267","0.002","8.267","0.002","13.524","0.002","90","","90","","120","","800.4","0.3","243","2","243","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H17.94 Br4 Fe N -","- C14 H35.88 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0687","0.0612","","","0.1639","0.1712","","","","","","1.108","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118881","8.265","0.009","8.265","0.009","13.539","0.019","90","","90","","120","","800.9","1.7","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7.018 H17.97 Br4 Fe N -","- C14.036 H35.94 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0738","0.0648","","","0.1638","0.1724","","","","","","1.103","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118882","8.344","0.009","8.344","0.009","13.67","0.02","90","","90","","120","","824.2","1.7","363","2","363","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H20.1 Br4 Fe N -","- C14 H40.2 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.1064","0.0813","","","0.1869","0.2063","","","","","","1.139","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118883","8.7151","0.0007","10.1879","0.0011","14.983","0.002","76.556","0.004","73.339","0.005","66.602","0.004","1159","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H26 N2 O4 S3 -","- C21 H26 N2 O4 S3 -","- C42 H52 N4 O8 S6 -","2","2","","Hongli Bao; Uttam K. Tambar","Catalytic Enantioselective Allylic Amination of Unactivated Terminal Olefins via an Ene Reaction/[2,3]-Rearrangement","Journal of the American Chemical Society","2012","134","","18495","18498","10.1021/ja307851b","","","1.5418","CuKα","","0.0514","0.0386","","","0.0954","0.1178","","","","","","1.091","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118884","9.81","0.004","10.483","0.003","11.67","0.005","90","","102.286","0.0016","90","","1172.6","0.8","103.15","","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H20 O8 Ru -","- C26 H20 O8 Ru -","- C52 H40 O16 Ru2 -","2","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.0275","0.0257","","","0.0585","0.061","","","","","","1.162","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118885","7.705","0.003","13.954","0.005","19.299","0.007","90","","90","","90","","2074.9","1.3","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 Ru Si2 -","- C17 H24 O4 Ru Si2 -","- C68 H96 O16 Ru4 Si8 -","4","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.0409","0.037","","","0.0804","0.084","","","","","","1.092","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118886","20.173","0.012","11.033","0.007","23.394","0.014","90","0.003","94.187","0.003","90","0.003","5193","5","103.15","","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H71 Cl O4 P2 Ru -","- C61 H71 Cl O4 P2 Ru -","- C244 H284 Cl4 O16 P8 Ru4 -","4","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.1265","0.1081","","","0.1912","0.2002","","","","","","1.302","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118887","41.6","0.02","17.746","0.009","12.812","0.006","90","","102.235","0.007","90","","9243","8","93.15","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H62 O P2 Ru -","- C55 H62 O P2 Ru -","- C440 H496 O8 P16 Ru8 -","8","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.71075","MoKα","","0.1071","0.0957","","","0.15","0.1547","","","","","","1.287","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118888","14.613","0.002","14.816","0.002","19.934","0.003","86.13","0.002","86.023","0.002","61.312","0.002","3774","0.9","90","","90","","","","","","","","","5","P -1","-P 1","2","Yb@Cs(6)-C82/NiOEP/2.0benzene","","","- C130 H56 N4 Ni Yb -","- C130 H56 N4 Ni Yb -","- C260 H112 N8 Ni2 Yb2 -","2","1","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0753","0.0636","","","0.169","0.1762","","","","","","1.049","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118889","25.335","0.003","15.045","0.002","19.813","0.003","90","","94.27","0.002","90","","7531.1","1.8","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Yb@C2(5)-C82/NiOEP/2benzene","","","- C130 H56 N4 Ni Yb -","- C130 H56 N4 Ni Yb0.98 -","- C520 H224 N16 Ni4 Yb3.92 -","4","0.5","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0795","0.069","","","0.1894","0.2002","","","","","","1.034","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118890","25.264","0.004","15.169","0.002","19.869","0.003","90","","95.078","0.002","90","","7584.5","1.9","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Yb@C2v(9)-C82/NiOEP/2(benzene)","","","- C130 H56 N4 Ni Yb -","- C130 H55.77 N4 Ni Yb0.85 -","- C520 H223.08 N16 Ni4 Yb3.4 -","4","0.5","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0945","0.0857","","","0.2338","0.2421","","","","","","1.038","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118891","16.8303","0.0002","16.8303","0.0002","16.8303","0.0002","90","","90","","90","","4767.33","0.1","100","2","100.01","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C72 H72 N48 Zn12 -","12","0.25","","Olga Karagiaridi; Marianne B. Lalonde; Wojciech Bury; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp","Opening ZIF-8: A Catalytically Active Zeolitic Imidazolate Framework of Sodalite Topology with Unsubstituted Linkers","Journal of the American Chemical Society","2012","134","","18790","18796","10.1021/ja308786r","","","1.54184","CuKα","","0.0269","0.0269","","","0.0698","0.0698","","","","","","1.097","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118892","16.8303","0.0002","16.8303","0.0002","16.8303","0.0002","90","","90","","90","","4767.33","0.1","100","2","100.01","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6.3 H6.6 N4 Zn -","- C6.3 H6.65 N4 Zn -","- C75.6 H79.8 N48 Zn12 -","12","0.25","","Olga Karagiaridi; Marianne B. Lalonde; Wojciech Bury; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp","Opening ZIF-8: A Catalytically Active Zeolitic Imidazolate Framework of Sodalite Topology with Unsubstituted Linkers","Journal of the American Chemical Society","2012","134","","18790","18796","10.1021/ja308786r","","","1.54184","CuKα","","0.0261","0.0261","","","0.0618","0.0618","","","","","","1.124","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118893","9.398","0.0012","6.1397","0.0008","11.6079","0.0016","90","","109.978","0.004","90","","629.48","0.14","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Michael W. Lodewyk; Cristian Soldi; Paul B. Jones; Marilyn M. Olmstead; Juan Rita; Jared T. Shaw; Dean J. Tantillo","The Correct Structure of Aquatolide-Experimental Validation of a Theoretically-Predicted Structural Revision","Journal of the American Chemical Society","2012","134","","18550","18553","10.1021/ja3089394","","","1.54178","CuKα","","0.028","0.0268","","","0.0709","0.0712","","","","","","1.056","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118894","22.618","0.005","22.618","0.005","8.397","0.005","90","0.005","90","0.005","90","0.005","4296","3","293","2","293","2","","","","","","","","3","I -4","I -4","82","(C5Me5)2Dy(allyl)","","","- C23 H35 Dy -","- C23 H35 Dy -","- C184 H280 Dy8 -","8","1","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71069","MoKα","","0.0147","0.0146","","","0.0362","0.0362","","","","","","1.074","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118895","11.1325","0.0004","28.0382","0.0008","13.2787","0.0005","90","","98.017","0.001","90","","4104.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(C5Me5)2Dy(BPh4)*C7H8","","","- C51 H58 B Dy -","- C51 H58 B Dy -","- C204 H232 B4 Dy4 -","4","2","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.016","0.0157","","","0.0369","0.037","","","","","","1.038","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118896","22.7164","0.0006","22.7164","0.0006","8.3647","0.0003","90","","90","","90","","4316.5","0.2","100","2","100","2","","","","","","","","3","I -4","I -4","82","(C5Me5)2Tb(allyl)","","","- C23 H35 Tb -","- C23 H35 Tb -","- C184 H280 Tb8 -","8","1","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0316","0.0276","","","0.0822","0.0872","","","","","","0.705","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118897","11.1431","0.0013","28.072","0.004","13.2834","0.0016","90","","98.086","0.006","90","","4113.9","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(C5Me5)2Tb(BPh4)*C7H8","","","- C51 H58 B Tb -","- C51 H58 B Tb -","- C204 H232 B4 Tb4 -","4","2","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0219","0.0209","","","0.0445","0.045","","","","","","1.027","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118898","11.0113","0.0007","28.5299","0.0019","24.1865","0.0016","90","","100.965","0.003","90","","7459.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[(C5Me5)2Tb]2(bipym)}(BPh4)","","","- C72 H86 B N4 Tb2 -","- C72 H86 B N4 Tb2 -","- C288 H344 B4 N16 Tb8 -","4","0.5","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0817","0.061","","","0.1113","0.1227","","","","","","1.172","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118899","10.9915","0.0004","28.5352","0.001","24.1672","0.0007","90","","100.915","0.002","90","","7442.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[(C5Me5)2Dy]2(bipym)}(BPh4)","","","- C72 H86 B Dy2 N4 -","- C72 H86 B Dy2 N4 -","- C288 H344 B4 Dy8 N16 -","4","0.5","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0673","0.0488","","","0.0923","0.0986","","","","","","1.084","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118900","11.163","0.006","12.201","0.006","13.562","0.007","90","","94.723","0.006","90","","1840.9","1.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H36 N3 O5 P -","- C42 H36 N3 O5 P -","- C84 H72 N6 O10 P2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71073","MoKα","","0.0546","0.0454","","","0.1076","0.1119","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118901","9.539","0.0004","11.3726","0.0004","17.4102","0.0007","97.8624","0.0005","93.3019","0.0005","111.449","0.0004","1729.48","0.12","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H38 N3 O4 P -","- C41 H38 N3 O4 P -","- C82 H76 N6 O8 P2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71073","MoKα","","0.0535","0.0395","","","0.0935","0.1013","","","","","","1.022","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118902","12.9114","0.0015","14.344","0.002","15.129","0.002","73.225","0.003","65.051","0.002","69.261","0.003","2343.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 N3 O2 P Si -","- C47 H52 N3 O3 P Si -","- C94 H104 N6 O6 P2 Si2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71075","MoKα","","0.1298","0.0875","","","0.1963","0.2144","","","","","","1.055","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118903","10.6092","0.0014","12.5906","0.0017","21.136","0.003","99.091","0.002","97.712","0.002","106.374","0.001","2626.7","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H51 Cl2 Fe2 N O2 P4 S2 -","- C57 H51 Cl2 Fe2 N O2 P4 S2 -","- C114 H102 Cl4 Fe4 N2 O4 P8 S4 -","2","1","","Maria E. Carroll; Bryan E. Barton; Thomas B. Rauchfuss; Patrick J. Carroll","Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate","Journal of the American Chemical Society","2012","134","","18843","18852","10.1021/ja309216v","","","0.71073","MoKα","","0.0559","0.044","","","0.1149","0.1217","","","","","","0.949","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118904","15.328","0.004","22.073","0.005","18.286","0.004","90","","100.021","0.003","90","","6092","2","193","1","193","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 B2 F8 Fe2 N O2 P4 S2 -","- C56 H51 B2 F8 Fe2 N O2 P4 S2 -","- C224 H204 B8 F32 Fe8 N4 O8 P16 S8 -","4","1","","Maria E. Carroll; Bryan E. Barton; Thomas B. Rauchfuss; Patrick J. Carroll","Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate","Journal of the American Chemical Society","2012","134","","18843","18852","10.1021/ja309216v","","","0.71073","MoKα","","0.0979","0.0578","","","0.1308","0.1473","","","","","","0.988","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118905","5.657","0.003","9.558","0.005","10.914","0.006","111.971","0.008","98.331","0.009","104.655","0.009","510.2","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C21 H23 N O5 S -","1","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.062","0.0533","","","0.0948","0.098","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118906","10.085","0.003","5.6029","0.0018","14.674","0.005","90","","103.61","0.006","90","","805.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C38 H40 O6 S2 -","2","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0933","0.058","","","0.0932","0.1023","","","","","","0.806","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118907","5.496","0.002","13.106","0.005","19.157","0.008","90","","90","","90","","1379.9","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0831","0.0546","","","0.0787","0.0848","","","","","","0.845","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118908","11.688","0.004","12.115","0.004","19.217","0.005","90","","118.581","0.016","90","","2389.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H124 N4 O20 S4 -","- C100 H124 N4 O20 S4 -","- C100 H124 N4 O20 S4 -","1","0.25","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0658","0.0465","","","0.1156","0.127","","","","","","0.721","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118909","10.3044","0.0008","9.1172","0.0007","27.235","0.002","90","","90","","90","","2558.7","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 Cl N2 O4 -","- C12 H15 Cl N2 O4 -","- C96 H120 Cl8 N16 O32 -","8","1","","Allison K. Griffith; Christine M. Vanos; Tristan H. Lambert","Organocatalytic Carbonyl-Olefin Metathesis","Journal of the American Chemical Society","2012","134","","18581","18584","10.1021/ja309650u","","","0.71073","MoKα","","0.063","0.0496","","","0.1357","0.1465","","","","","","1.035","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118910","8.652","0.004","14.984","0.008","19.066","0.01","90.829","0.007","102.188","0.007","94.639","0.008","2407","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H19 Br Cl2 N4 O5 Ru S -","- C19 H19 Br Cl2 N4 O5 Ru S -","- C76 H76 Br4 Cl8 N16 O20 Ru4 S4 -","4","2","","Lei Wang; Lele Duan; Beverly Stewart; Maoping Pu; Jianhui Liu; Timofei Privalov; Licheng Sun","Toward Controlling Water Oxidation Catalysis: Tunable Activity of Ruthenium Complexes with Axial Imidazole/DMSO Ligands","Journal of the American Chemical Society","2012","134","","18868","18880","10.1021/ja309805m","","","0.71073","MoKα","","0.1889","0.0912","","","0.1975","0.2473","","","","","","0.99","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118911","24.99","0.004","24.99","0.004","13.0478","0.0016","90","","90","","120","","7056.7","1.8","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H16 N9 O2.5 Zn -","- C9 H15 N9 O2.50333 Zn -","- C162 H270 N162 O45.06 Zn18 -","18","1","","Ping Cui; Yu-Guang Ma; Huan-Huan Li; Bin Zhao; Jian-Rong Li; Peng Cheng; Perla B. Balbuena; Hong-Cai Zhou","Multipoint Interactions Enhanced CO2 Uptake: A Zeolite-like Zinc-Tetrazole Framework with 24-Nuclear Zinc Cages","Journal of the American Chemical Society","2012","134","","18892","18895","10.1021/ja3063138","","","0.71073","MoKα","","0.07","0.0498","","","0.1499","0.1555","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118912","22.1794","0.0018","13.6101","0.001","29.949","0.002","90","","96.671","0.005","90","","8979.3","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H80 F24 N8 O8 P4 S10 -","- C74 H80 F24 N8 O8 P4 S10 -","- C296 H320 F96 N32 O32 P16 S40 -","4","0.5","","Cheng Wang; Scott M. Dyar; Dennis Cao; Albert C. Fahrenbach; Noah Horwitz; Michael T. Colvin; Raanan Carmieli; Charlotte L. Stern; Sanjeev K. Dey; Michael R. Wasielewski; J. Fraser Stoddart","Tetrathiafulvalene Hetero Radical Cation Dimerization in a Redox-Active [2]Catenane","Journal of the American Chemical Society","2012","134","","19136","19145","10.1021/ja307577t","","","1.54178","CuKα","","0.0996","0.0857","","","0.2291","0.2401","","","","","","1.065","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118913","9.7107","0.0019","10.184","0.002","10.296","0.002","84.96","0.03","88.3","0.03","68.13","0.03","941.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 O P S -","- C24 H17 O P S -","- C48 H34 O2 P2 S2 -","2","1","","Chunmiao Han; Zhensong Zhang; Hui Xu; Shouzhen Yue; Jing Li; Pingrui Yan; Zhaopeng Deng; Yi Zhao; Pengfei Yan; Shiyong Liu","Short-Axis Substitution Approach Selectively Optimizes Electrical Properties of Dibenzothiophene-Based Phosphine Oxide Hosts","Journal of the American Chemical Society","2012","134","","19179","19188","10.1021/ja308273y","","","0.71073","MoKα","","0.0699","0.0496","","","0.1232","0.1432","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118914","14.708","0.0005","12.1509","0.0005","16.1933","0.0005","90","","91.299","0.003","90","","2893.25","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 O2 P2 S -","- C36 H26 O2 P2 S -","- C144 H104 O8 P8 S4 -","4","1","","Chunmiao Han; Zhensong Zhang; Hui Xu; Shouzhen Yue; Jing Li; Pingrui Yan; Zhaopeng Deng; Yi Zhao; Pengfei Yan; Shiyong Liu","Short-Axis Substitution Approach Selectively Optimizes Electrical Properties of Dibenzothiophene-Based Phosphine Oxide Hosts","Journal of the American Chemical Society","2012","134","","19179","19188","10.1021/ja308273y","","","0.71073","MoKα","","0.0661","0.0444","","","0.1061","0.1152","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118915","13.08228","0.00015","23.1771","0.0003","26.3615","0.0003","90","","90","","90","","7993.05","0.17","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cl Cu F20 N4 -","- C42 H18 B Cl Cu F20 N4 -","- C336 H144 B8 Cl8 Cu8 F160 N32 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0525","0.0305","","","0.0665","0.0699","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118916","13.3059","0.0002","22.9396","0.0005","26.0492","0.0007","90","","90","","90","","7951.1","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cu F20 N5 O2 -","- C42 H18 B Cu F20 N5 O2 -","- C336 H144 B8 Cu8 F160 N40 O16 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0428","0.0317","","","0.0784","0.0833","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118917","5.8661","0.0012","25.627","0.005","12.819","0.003","90","","98.922","0.003","90","","1903.8","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H39 Br3 O8 -","- C40 H39 Br3 O8 -","- C80 H78 Br6 O16 -","2","1","","Yalan Xing; Sudhir M. Hande; Yoshito Kishi","Photochemistry of Mycolactone A/B, the Causative Toxin of Buruli Ulcer","Journal of the American Chemical Society","2012","134","","19234","19239","10.1021/ja309215m","","","0.71073","MoKα","","0.054","0.0381","","","0.0564","0.0602","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118918","14.9058","0.0003","15.048","0.0003","38.4984","0.0007","90","","93.6286","0.0008","90","","8618","0.3","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C107 H119 O2 -","- C107 H119 O2 -","- C428 H476 O8 -","4","1","","Xiaozhang Zhu; Hayato Tsuji; Juan T. López Navarrete; Juan Casado; Eiichi Nakamura","Carbon-Bridged Oligo(phenylenevinylene)s: Stable π-Systems with High Responsiveness to Doping and Excitation","Journal of the American Chemical Society","2012","134","","19254","19259","10.1021/ja309318s","","","1.54187","CuKα","","0.157","0.0725","","","0.1766","0.2227","","","","","","1.017","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118919","9.329","0.002","28.097","0.006","10.961","0.002","90","","110.247","0.003","90","","2695.5","1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Fe2 O2 P4 S2 -","- C16 H40 Fe2 O2 P4 S2 -","- C64 H160 Fe8 O8 P16 S8 -","4","1","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","0.71073","MoKα","","0.0577","0.0346","","","0.0713","0.08","","","","","","1.004","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118920","13.4446","0.0016","32.134","0.004","16.0011","0.0019","90","","91.131","0.002","90","","6911.6","1.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H60 Fe2 O2 P4 S2 -","- C17 H42 Fe2 O2 P4 S2 -","- C136 H336 Fe16 O16 P32 S16 -","8","2","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","0.71073","MoKα","","0.0666","0.0434","","","0.0965","0.1031","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118921","17.4367","0.0006","18.2764","0.0006","19.3539","0.0006","90","","92.036","0.002","90","","6163.8","0.4","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 B F24 Fe2 N O2 P4 S2 -","- C48 H54 B F23.976 Fe2 N O2 P4 S2 -","- C192 H216 B4 F95.904 Fe8 N4 O8 P16 S8 -","4","1","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","1.54178","CuKα","","0.059","0.0479","","","0.1189","0.1253","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118922","23.102","0.005","23.102","0.005","59.977","0.005","90","0.005","90","0.005","120","0.005","27721","9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C222 H168 N32 O67 Zn8 -","- C222 H168 N32 O67 Zn8 -","- C666 H504 N96 O201 Zn24 -","3","0.166667","","Susan Sen; Nisanth N. Nair; Teppei Yamada; Hiroshi Kitagawa; Parimal K. Bharadwaj","High Proton Conductivity by a Metal-Organic Framework Incorporating Zn8O Clusters with Aligned Imidazolium Groups Decorating the Channels","Journal of the American Chemical Society","2012","134","","19432","19437","10.1021/ja3076378","","","0.71069","MoKα","","0.1372","0.0846","","","0.2255","0.25","","","","","","0.885","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118923","18.2508","0.0004","19.216","0.0005","20.1901","0.0014","84.8","0.006","63.27","0.005","72.872","0.005","6036.4","0.6","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","1","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","0.0588","0.0523","","","0.1298","0.1341","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118924","10.0039","0.0019","12.557","0.003","29.038","0.006","90","","90","","90","","3647.7","1.3","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Cl2 Ir2 N4 -","- C44 H32 Cl2 Ir2 N4 -","- C176 H128 Cl8 Ir8 N16 -","4","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","","0.0255","","","","0.0537","","","","","","0.939","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118925","9.9782","0.0017","12.56","0.002","29.008","0.005","90","","90","","90","","3635.5","1.1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Cl2 Ir2 N4 -","- C44 H32 Cl2 Ir2 N4 -","- C176 H128 Cl8 Ir8 N16 -","4","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","","0.0314","","","","0.0752","","","","","","0.996","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118926","41.4417","0.0011","41.4417","0.0011","41.4417","0.0011","90","","90","","90","","71173","3","200","2","200","2","","","","","","","","7","F m -3","-F 2 2 3","202","","","","- C86 H456 Mo84 N2.5 Na43.5 O416 S48 -","- C48 H72 Mo84 Na7.92 O298.48 S48 -","- C192 H288 Mo336 Na31.68 O1193.92 S192 -","4","0.0416667","","Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot","Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units","Journal of the American Chemical Society","2012","134","","19342","19345","10.1021/ja309302y","","","0.71073","MoKα","","0.1049","0.0618","","","0.1686","0.1897","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118927","64.949","0.004","64.949","0.004","77.695","0.005","90","","90","","120","","283837","3","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C52 H831 Mo132 N9.5 Na17.5 O694 S60 -","- C31.5 H48.75 Mo132 O444 S60 -","- C378 H585 Mo1584 O5328 S720 -","12","0.333333","","Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot","Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units","Journal of the American Chemical Society","2012","134","","19342","19345","10.1021/ja309302y","","","0.71073","MoKα","","0.2105","0.0795","","","0.2005","0.237","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118928","48.04","0.003","9.2092","0.0006","31.412","0.002","90","","125.79","0.001","90","","11272.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118 H160 N2 O P4 Pt2 -","- C114 H152 N2 P4 Pt2 -","- C456 H608 N8 P16 Pt8 -","4","0.5","","Galyna G. Dubinina; Randi S. Price; Khalil A. Abboud; Geoffrey Wicks; Pawel Wnuk; Yuriy Stepanenko; Mikhail Drobizhev; Aleksander Rebane; Kirk S. Schanze","Phenylene Vinylene Platinum(II) Acetylides with Prodigious Two-Photon Absorption","Journal of the American Chemical Society","2012","134","","19346","19349","10.1021/ja309393c","","","0.71073","MoKα","","0.0416","0.0324","","","0.0786","0.0823","","","","","","1.063","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118929","11.5432","0.0004","12.7958","0.0006","9.2771","0.0004","90","","90","","90","","1370.27","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Cl3 Fe N O -","- C9 H18 Cl3 Fe N O -","- C36 H72 Cl12 Fe4 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0218","0.0193","","","0.0518","0.0537","","","","","","1.061","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118930","11.5381","0.0005","12.7464","0.0006","9.2803","0.0004","90","","90","","90","","1364.85","0.11","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Al Cl3 N O -","- C9 H18 Al Cl3 N O -","- C36 H72 Al4 Cl12 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0241","0.0212","","","0.0559","0.0579","","","","","","1.039","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118931","11.5724","0.0003","12.7487","0.0003","9.3096","0.0002","90","","90","","90","","1373.47","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Cl3 Fe N O -","- C9 H19 Cl3 Fe N O -","- C36 H76 Cl12 Fe4 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0201","0.017","","","0.0498","0.0517","","","","","","1.054","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118932","11.5552","0.0002","12.7108","0.0002","9.2728","0.0002","90","","90","","90","","1361.95","0.04","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Al Cl3 N O -","- C9 H19 Al Cl3 N O -","- C36 H76 Al4 Cl12 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0241","0.0202","","","0.0553","0.0574","","","","","","1.076","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118933","10.5187","0.0011","13.024","0.0014","16.1258","0.0017","90","","90","","90","","2209.2","0.4","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N2 O4 P -","- C24 H25 N2 O4 P -","- C96 H100 N8 O16 P4 -","4","1","","Masashi Hayashi; Noriyuki Shiomi; Yasuhiro Funahashi; Shuichi Nakamura","Cinchona Alkaloid Amides/Dialkylzinc Catalyzed Enantioselective Desymmetrization of Aziridines with Phosphites","Journal of the American Chemical Society","2012","134","","19366","19369","10.1021/ja309963w","","","0.7107","MoKα","","","0.0321","","","","0.0972","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118934","10.008","0.003","10.996","0.003","30.926","0.01","90","","90","","90","","3403.3","1.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 Cl N2 O6 -","- C38 H39 Cl N2 O6 -","- C152 H156 Cl4 N8 O24 -","4","1","","Daisuke Uraguchi; Ken Yoshioka; Yusuke Ueki; Takashi Ooi","Highly Regio-, Diastereo-, and Enantioselective 1,6- and 1,8-Additions of Azlactones to Di- and Trienyl N-Acylpyrroles","Journal of the American Chemical Society","2012","134","","19370","19373","10.1021/ja310209g","","","0.71075","MoKα","","0.0927","0.0667","","","0.1619","0.1871","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118935","9.0079","0.0008","6.43969","0.0002","5.16525","0.00018","90","","88.942","0.006","90","","299.58","0.03","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Cu-sidorenkite","","","- C Cu Na3 O7 P -","- C Cu Na3 O7 P -","- C2 Cu2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","2.2897","","","","","","","","","","","1.99","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118936","8.89282","0.00022","6.61758","0.00009","5.1456","0.00007","90","","89.4853","0.0017","90","","302.801","0.009","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Co-sidorenkite","","","- C Co Na3 O7 P -","- C Co Na3 O7 P -","- C2 Co2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.54","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118937","8.82621","0.00009","6.586832","0.000027","5.127293","0.000029","90","","89.2669","0.0007","90","","298.06","0.004","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Ni-sidorenkite","","","- C Na3 Ni O7 P -","- C Na3 Ni O7 P -","- C2 Na6 Ni2 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.32","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118938","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.4","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118939","8.82663","0.00029","6.61646","0.00009","5.15605","0.0001","90","","89.6919","0.0025","90","","301.114","0.012","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Mg-sidorenkite","","","- C Mg Na3 O7 P -","- C Mg Na3 O7 P -","- C2 Mg2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","2.2897","","","","","","","","","","","1.85","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118940","8.95419","0.00013","6.61129","0.00005","5.16023","0.00005","90","","89.6001","0.0013","90","","305.472","0.006","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Fe-sidorenkite","","","- C Fe Na3 O7 P -","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","1.83","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118941","16.825","0.003","8.4463","0.0015","8.3432","0.0014","90","","97.942","0.004","90","","1174.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C13 H10 N O2 P -","- C13 H10 N O2 P -","- C52 H40 N4 O8 P4 -","4","1","","Jesús García López; Antonio Morán Ramallal; Javier González; Laura Roces; Santiago García-Granda; María José Iglesias; Pascual Oña-Burgos; Fernando López Ortiz","Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction","Journal of the American Chemical Society","2012","134","","19504","19507","10.1021/ja307330c","","x-ray","0.71073","MoKα","","0.0667","0.0517","","","0.1208","0.146","","","","","","1.012","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118942","12.427","0.004","11.154","0.004","15.751","0.005","90","","105.241","0.009","90","","2106.5","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N O2 P -","- C25 H30 N O2 P -","- C100 H120 N4 O8 P4 -","4","1","","Jesús García López; Antonio Morán Ramallal; Javier González; Laura Roces; Santiago García-Granda; María José Iglesias; Pascual Oña-Burgos; Fernando López Ortiz","Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction","Journal of the American Chemical Society","2012","134","","19504","19507","10.1021/ja307330c","","x-ray","0.71073","MoKα","","0.135","0.078","","","0.1414","0.1623","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118943","34.181","0.005","30.283","0.005","23.229","0.005","90","0.005","123.959","0.005","90","0.005","19943","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cs10.5 H65.5 K4 O196 Si4 Ta16 W36 -","- Cs10.5 K4 O186.3 Si4 Ta16 W36 -","- Cs42 K16 O745.2 Si16 Ta64 W144 -","4","0.5","","Shujun Li; Shumei Liu; Shuxia Liu; Yiwei Liu; Qun Tang; Zhan Shi; Shuxin Ouyang; Jinhua Ye","{Ta12}/{Ta16} Cluster-Containing Polytantalotungstates with Remarkable Photocatalytic H2 Evolution Activity","Journal of the American Chemical Society","2012","134","","19716","19721","10.1021/ja307484a","","","0.71069","MoKα","","0.1342","0.0671","","","0.1659","0.1891","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118944","18.245","0.009","18.245","0.009","27.49","0.016","90","","90","","120","","7925","7","296","2","296","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- Cs3 H18.5 K3.5 O52 Si Ta3 W9 -","- Cs3 K3.5 O46.75 Si Ta3 W9 -","- Cs18 K21 O280.5 Si6 Ta18 W54 -","6","0.166667","","Shujun Li; Shumei Liu; Shuxia Liu; Yiwei Liu; Qun Tang; Zhan Shi; Shuxin Ouyang; Jinhua Ye","{Ta12}/{Ta16} Cluster-Containing Polytantalotungstates with Remarkable Photocatalytic H2 Evolution Activity","Journal of the American Chemical Society","2012","134","","19716","19721","10.1021/ja307484a","","","0.71073","MoKα","","0.0528","0.0458","","","0.1213","0.1246","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118945","14.26","0.0017","14.26","0.0017","41.443","0.008","90","","90","","120","","7298.3","1.9","45","2","45","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8 H14 Fe2 N O12 -","- C144 H252 Fe36 N18 O216 -","18","0.5","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","1.1675","neutron","","0.0453","0.037","","","0.0676","0.0703","","","","","","1.088","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118946","8.255","0.0012","8.255","0.0012","13.891","0.003","90","","90","","120","","819.8","0.2","220","2","220","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","","neutron","","0.2406","0.18","","","0.2635","0.2777","","","","","","1.513","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118947","8.2485","0.0002","8.2485","0.0002","13.8542","0.0005","90","","90","","120","","816.32","0.04","175","2","175","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","0.948","neutron","","0.0497","0.0389","","","0.083","0.0875","","","","","","1.062","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118948","22.556","","22.556","","3.4","","90","","90","","120","","1498.08","","","","","","","","","","","","see text","4","P 6/m","-P 6","175","","","","- C6 H4 N O -","- C6 H4 N O -","- C36 H24 N6 O6 -","6","0.5","","Sharath Kandambeth; Arijit Mallick; Binit Lukose; Manoj V. Mane; Thomas Heine; Rahul Banerjee","Construction of Crystalline 2D Covalent Organic Frameworks with Remarkable Chemical (Acid/Base) Stability via a Combined Reversible and Irreversible Route","Journal of the American Chemical Society","2012","134","","19524","19527","10.1021/ja308278w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118949","22.506","","22.506","","3.5","","90","","90","","120","","1535.31","","","","","","","","","","","","see text","4","P 6/m","-P 6","175","","","","- C7 H6 N O -","- C7 H6 N O -","- C42 H36 N6 O6 -","6","0.5","","Sharath Kandambeth; Arijit Mallick; Binit Lukose; Manoj V. Mane; Thomas Heine; Rahul Banerjee","Construction of Crystalline 2D Covalent Organic Frameworks with Remarkable Chemical (Acid/Base) Stability via a Combined Reversible and Irreversible Route","Journal of the American Chemical Society","2012","134","","19524","19527","10.1021/ja308278w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118950","7.0714","0.0002","7.1363","0.0002","25.0858","0.0008","92.515","0.002","92.582","0.002","90.047","0.002","1263.41","0.06","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","2","","Suwei Dong; Tian Qin; Ernest Hamel; John A. Beutler; John A. Porco","Synthesis of Chamaecypanone C Analogues fromin Situ-Generated Cyclopentadienones and Their Biological Evaluation","Journal of the American Chemical Society","2012","134","","19782","19787","10.1021/ja3084708","","","1.54178","CuKα","","0.0596","0.05","","","0.1349","0.1426","","","","","","1.03","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118951","30.0265","0.0011","30.0265","0.0011","7.7081","0.0004","90","","90","","120","","6018.5","0.4","293","2","293","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C23 H19 Cl2 N4 O4 Zn -","- C23 H19 Cl2 N4 O4 Zn -","- C138 H114 Cl12 N24 O24 Zn6 -","6","0.5","","Guo-Qiang Kong; Sha Ou; Chao Zou; Chuan-De Wu","Assembly and Post-Modification of a Metal-Organic Nanotube for Highly Efficient Catalysis","Journal of the American Chemical Society","2012","134","","19851","19857","10.1021/ja309158a","","","1.54178","CuKα","","0.1026","0.0754","","","0.1801","0.1987","","","","","","1.075","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118952","21.4198","0.0008","21.4198","0.0008","17.4178","0.0008","90","","90","","120","","6920.8","0.5","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Co Cr N4 O4 -","- C24 H20 Co Cr N4 O4 -","- C216 H180 Co9 Cr9 N36 O36 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0589","0.0488","","","0.1197","0.1257","","","","","","1.047","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118953","21.1759","0.0003","21.1759","0.0003","17.4734","0.0003","90","","90","","120","","6785.66","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Cr N4 Ni O9.17 -","- C24 H20 Cr N4 Ni O9.17333 -","- C216 H180 Cr9 N36 Ni9 O82.56 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0348","0.0327","","","0.0883","0.0891","","","","","","1.083","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118954","21.3191","0.0003","21.3191","0.0003","17.925","0.0003","90","","90","","120","","7055.5","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C25.33 H20 Co Mo N4.67 O9.36 -","- C25.32 H20 Co Mo N4.66667 O9.359 -","- C227.88 H180 Co9 Mo9 N42 O84.231 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0251","0.0241","","","0.0573","0.0577","","","","","","1.024","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118955","21.0856","0.0009","21.0856","0.0009","17.9678","0.0008","90","","90","","120","","6918.3","0.5","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C26 H20 Mo N5 Ni O7.58 -","- C25.9867 H20 Mo N5 Ni O7.57 -","- C233.88 H180 Mo9 N45 Ni9 O68.13 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","0.41328","synchrotron","","0.0323","0.0322","","","0.0869","0.087","","","","","","1.034","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118956","6.523","0.003","18.23","0.008","28.472","0.011","90","","95.491","0.01","90","","3370","3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","11,11-Bis(p-nitrobenzoyloxymethyl)-3-methyl-13- phenylsulfonylbicyclo[7.4.0]trideca-1(13),2,8-triene","","- C36 H34 N2 O10 S -","- C36 H34 N2 O10 S -","- C144 H136 N8 O40 S4 -","4","1","","Chisato Mukai; Yuu Ohta; Yuki Oura; Yasuaki Kawaguchi; Fuyuhiko Inagaki","Csp3-Csp3 and Csp3-H Bond Activation of 1,1-Disubstituted Cyclopentane","Journal of the American Chemical Society","2012","134","","19580","19583","10.1021/ja309830p","","x-ray","0.71075","MoKα","","","0.0737","","","","0.2457","","","","","","0.997","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118957","8.2318","0.0004","14.4872","0.0007","16.7957","0.0007","114.665","0.003","90.07","0.002","95.4728","0.0014","1810.08","0.15","103","","103","","","","","","","","","5","P -1","-P 1","2","","Bis-1H-indole-2-yl-2-phenylsulfonyl-3-spiro[2.4]hept-1-yl 5-methylenecyclohexane-3-ene dicarboxate","","- C42 H41 N3 O6 S -","- C42 H41 N3 O6 S -","- C84 H82 N6 O12 S2 -","2","1","","Chisato Mukai; Yuu Ohta; Yuki Oura; Yasuaki Kawaguchi; Fuyuhiko Inagaki","Csp3-Csp3 and Csp3-H Bond Activation of 1,1-Disubstituted Cyclopentane","Journal of the American Chemical Society","2012","134","","19580","19583","10.1021/ja309830p","","x-ray","0.71075","MoKα","","","0.0656","","","","0.215","","","","","","1.063","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118958","13.7048","0.0007","18.8549","0.001","29.2118","0.0014","90","","90","","90","","7548.4","0.7","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","TEA[MoTp*(O)(S2BMOPP)]","","","- C45 H67 B Cl18 Mo N12 O4 S2 -","- C39 H61 B Mo N12 O4 S2 -","- C156 H244 B4 Mo4 N48 O16 S8 -","4","1","","Benjamin R. Williams; Yichun Fu; Glenn P. A. Yap; Sharon J. Nieter Burgmayer","Structure and Reversible Pyran Formation in Molybdenum Pyranopterin Dithiolene Models of the Molybdenum Cofactor","Journal of the American Chemical Society","2012","134","","19584","19587","10.1021/ja310018e","","","1.54178","CuKα","","0.1081","0.0666","","","0.1241","0.1334","","","","","","1.058","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118959","14.1966","0.0005","17.0102","0.0005","42.0911","0.0016","90","","97.583","0.002","90","","10075.6","0.6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","MoTp*(O)(S2BMOPP","","","- C38 H55 B Cl7 Mo N11 O4 S2 -","- C31 H41 B Mo N11 O4 S2 -","- C248 H328 B8 Mo8 N88 O32 S16 -","8","2","","Benjamin R. Williams; Yichun Fu; Glenn P. A. Yap; Sharon J. Nieter Burgmayer","Structure and Reversible Pyran Formation in Molybdenum Pyranopterin Dithiolene Models of the Molybdenum Cofactor","Journal of the American Chemical Society","2012","134","","19584","19587","10.1021/ja310018e","","","0.71073","MoKα","","0.1394","0.0596","","","0.0857","0.0951","","","","","","1.037","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118960","19.3748","0.001","16.0589","0.001","16.0249","0.0011","90","","90","","90","","4986","0.5","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H56 I2 N24 O22 -","- C36 H36 I2 N24 O21 -","- C144 H144 I8 N96 O84 -","4","0.5","","Hamdy S. El-Sheshtawy; Bassem S. Bassil; Khaleel I. Assaf; Ulrich Kortz; Werner M. Nau","Halogen Bonding inside a Molecular Container","Journal of the American Chemical Society","2012","134","","19935","19941","10.1021/ja3102902","","","0.71073","MoKα","","0.0864","0.0738","","","0.2034","0.2163","","","","","","1","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118961","15.7222","0.0015","17.6914","0.0018","24.123","0.002","80.543","0.005","74.26","0.004","63.628","0.004","5778.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H192 Br19 I7 N96 Na10 O72 -","- C144 H144 Br18.6 I6.8 N96 Na9.4 O71.5 -","- C144 H144 Br18.6 I6.8 N96 Na9.4 O71.5 -","1","0.5","","Hamdy S. El-Sheshtawy; Bassem S. Bassil; Khaleel I. Assaf; Ulrich Kortz; Werner M. Nau","Halogen Bonding inside a Molecular Container","Journal of the American Chemical Society","2012","134","","19935","19941","10.1021/ja3102902","","","0.71073","MoKα","","0.1045","0.0801","","","0.2005","0.2204","","","","","","1.028","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118962","18.765","0.003","18.765","0.003","46.463","0.012","90","","90","","90","","16361","6","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C33 H14 O10 Zn2 -","- C33 H14 O10 Zn2 -","- C264 H112 O80 Zn16 -","8","0.25","","Natalia B. Shustova; Anthony F. Cozzolino; Mircea Dincă","Conformational Locking by Design: Relating Strain Energy with Luminescence and Stability in Rigid Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","19596","19599","10.1021/ja3103154","","","0.71073","MoKα","","0.1906","0.0542","","","0.1239","0.1573","","","","","","0.885","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118963","11.5732","0.001","13.3707","0.0011","16.0107","0.0013","67.623","0.002","70.792","0.002","88.376","0.002","2150.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H68 Br O2 P Pd -","- C43.5 H68 Br O2 P Pd -","- C87 H136 Br2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0447","0.0297","","","0.067","0.0726","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118964","8.609","0.0008","9.7","0.0009","21.645","0.002","90.554","0.001","92.547","0.002","101.853","0.001","1766.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H53 Br F O2 P Pd -","- C37 H53 Br F O2 P Pd -","- C74 H106 Br2 F2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0345","0.0265","","","0.066","0.0702","","","","","","1.035","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118965","11.609","0.001","12.4243","0.0011","13.6746","0.0013","87.071","0.002","89.873","0.002","71.791","0.002","1870.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H55 Br Cl O2 P Pd -","- C37.5 H55 Br Cl O2 P Pd -","- C75 H110 Br2 Cl2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0305","0.0249","","","0.062","0.0649","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118966","11.6977","0.0008","11.8511","0.0008","16.6091","0.0011","75.678","0.001","71.514","0.001","62.791","0.001","1927.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H62 Cl O2 P Pd -","- C41 H62 Cl O2 P Pd -","- C82 H124 Cl2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0553","0.0516","","","0.127","0.1292","","","","","","1.198","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118967","11.7507","0.0009","13.3686","0.001","15.8562","0.0012","68.638","0.002","70.57","0.002","88.106","0.002","2176.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H68 I O2 P Pd -","- C43.5 H68 I O2 P Pd -","- C87 H136 I2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0524","0.0382","","","0.0957","0.1054","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118968","11.2123","0.0012","12.6607","0.0013","16.4926","0.0017","107.799","0.002","94.657","0.002","110.182","0.002","2046.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H56 Cl2 F3 O5 P Pd S -","- C39 H56 Cl2 F3 O5 P Pd S -","- C78 H112 Cl4 F6 O10 P2 Pd2 S2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0362","0.0325","","","0.0866","0.0896","","","","","","1.077","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118969","8.7579","0.0011","9.7841","0.0012","20.337","0.003","95.94","0.002","90.071","0.002","91.111","0.002","1732.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H55 Br N P Pd -","- C37 H55 Br N P Pd -","- C74 H110 Br2 N2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0291","0.0241","","","0.0576","0.06","","","","","","1.038","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118970","11.5252","0.0007","17.2371","0.0011","18.7727","0.0012","94.56","0.001","91.707","0.001","96.906","0.002","3687.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H58 Br P Pd -","- C39 H58 Br P Pd -","- C156 H232 Br4 P4 Pd4 -","4","2","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0301","0.0229","","","0.0528","0.0556","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118971","10.9679","0.0006","14.0266","0.0007","21.0174","0.0011","90","","92.757","0.002","90","","3229.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 Br P Pd -","- C35 H50 Br P Pd -","- C140 H200 Br4 P4 Pd4 -","4","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0457","0.0328","","","0.0576","0.0611","","","","","","1.023","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118972","11.0494","0.0004","11.2985","0.0004","14.3488","0.0005","71.16","0.001","76.222","0.001","78.468","0.001","1631.76","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H49 Br N P Pd -","- C36 H49 Br N P Pd -","- C72 H98 Br2 N2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0213","0.0192","","","0.0485","0.0495","","","","","","1.034","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118973","8.6168","0.0006","20.6232","0.0014","20.7353","0.0014","90","","90","","90","","3684.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H59 Br N O P Pd -","- C39 H59 Br N O P Pd -","- C156 H236 Br4 N4 O4 P4 Pd4 -","4","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0181","0.0172","","","0.0422","0.0425","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118974","8.5546","0.0006","10.0043","0.0008","20.8134","0.0016","88.285","0.001","87.619","0.002","77.951","0.001","1740.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H54 Br O P Pd -","- C37 H54 Br O P Pd -","- C74 H108 Br2 O2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0257","0.0214","","","0.0514","0.0533","","","","","","1.043","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118975","8.5924","0.0005","10.1285","0.0006","21.1575","0.0011","92.227","0.002","93.428","0.002","101.416","0.003","1799.22","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H53 Br N O P Pd -","- C38 H53 Br N O P Pd -","- C76 H106 Br2 N2 O2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","1.54178","CuKα","","0.0218","0.0214","","","0.0543","0.0545","","","","","","1.046","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118976","19.508","0.003","9.6906","0.001","15.2967","0.0019","90","","133.054","0.003","90","","2113","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 B N -","- C32 H20 B N -","- C128 H80 B4 N4 -","4","0.5","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","","0.0443","","","","0.1157","","","","","","1.001","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118977","10.1906","0.0018","10.1906","0.0018","17.991","0.003","90","","90","","120","","1618","0.5","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H20 B N -","- C32 H20 B N -","- C96 H60 B3 N3 -","3","0.5","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","0.0665","0.0588","","","0.1492","0.1541","","","","","","1.086","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118978","9.696","0.003","12.111","0.004","23.872","0.007","90","","90","","90","","2803.2","1.5","173.15","","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C35 H25 B Br2 N -","- C35 H25 B Br2 N -","- C140 H100 B4 Br8 N4 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","0.065","0.051","","","0.118","0.1278","","","","","","1.073","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118979","11.23","0.002","7.1864","0.0014","20.729","0.004","90","","98.453","0.003","90","","1654.7","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C76 H68 Cl4 N8 O4 -","4","2","","Xin Feng; Zhi Zhou; Rong Zhou; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Stereodivergence in Amine-Catalyzed Regioselective [4 + 2] Cycloadditions of β-Substituted Cyclic Enones and Polyconjugated Malononitriles","Journal of the American Chemical Society","2012","134","","19942","19947","10.1021/ja3106219","","","0.71073","MoKα","","0.0499","0.039","","","0.0697","0.0734","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4118980","7.778","0.0016","10.516","0.002","11.757","0.002","115.63","0.03","100.45","0.03","100.87","0.03","813.1","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C38 H34 Cl2 N4 O2 -","2","2","","Xin Feng; Zhi Zhou; Rong Zhou; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Stereodivergence in Amine-Catalyzed Regioselective [4 + 2] Cycloadditions of β-Substituted Cyclic Enones and Polyconjugated Malononitriles","Journal of the American Chemical Society","2012","134","","19942","19947","10.1021/ja3106219","","","0.71073","MoKα","","0.0683","0.0656","","","0.1591","0.1624","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4118981","10.151","0.003","14.758","0.004","15.422","0.005","81.19","0.006","70.859","0.004","74.747","0.005","2100.1","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 N3 P2 Sc -","- C44 H64 N3 P2 Sc -","- C88 H128 N6 P4 Sc2 -","2","1","","Benjamin F. Wicker; Hongjun Fan; Anne K. Hickey; Marco G. Crestani; Jennifer Scott; Maren Pink; Daniel J. Mindiola","Evidence for the Existence of Terminal Scandium Imidos: Mechanistic Studies Involving Imido-Scandium Bond Formation and C-H Activation Reactions","Journal of the American Chemical Society","2012","134","","20081","20096","10.1021/ja307279r","","","0.71073","MoKα","","0.0911","0.0484","","","0.1005","0.1148","","","","","","1.007","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118982","10.871","0.0018","12.1829","0.0018","17.163","0.003","84.857","0.003","88.537","0.003","65.067","0.003","2052.7","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 N3 P2 Sc -","- C44 H64 N3 P2 Sc -","- C88 H128 N6 P4 Sc2 -","2","1","","Benjamin F. Wicker; Hongjun Fan; Anne K. Hickey; Marco G. Crestani; Jennifer Scott; Maren Pink; Daniel J. Mindiola","Evidence for the Existence of Terminal Scandium Imidos: Mechanistic Studies Involving Imido-Scandium Bond Formation and C-H Activation Reactions","Journal of the American Chemical Society","2012","134","","20081","20096","10.1021/ja307279r","","","0.71073","MoKα","","0.0804","0.0457","","","0.1029","0.1165","","","","","","1.002","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118983","26.184","0.002","26.175","0.002","18.4154","0.0017","90","","132.259","0.001","90","","9341.2","1.3","188","2","188","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","lithium sodium U24","","","- Li2 Na21 O200 U24 -","- Li2 Na21 O200 U24 -","- Li4 Na42 O400 U48 -","2","0.25","","May Nyman; Todd M. Alam","Dynamics of Uranyl Peroxide Nanocapsules","Journal of the American Chemical Society","2012","134","","20131","20138","10.1021/ja308673f","","","0.71073","MoKα","","0.0426","0.0336","","","0.0868","0.0912","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118984","9.6294","0.0005","29.9291","0.0015","9.7605","0.0005","90","","116.237","0.002","90","","2523.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H22 Br Cl O4 S -","- C28 H22 Br Cl O4 S -","- C112 H88 Br4 Cl4 O16 S4 -","4","2","","Yi Luan; Scott E. Schaus","Enantioselective Addition of Boronates too-Quinone Methides Catalyzed by Chiral Biphenols","Journal of the American Chemical Society","2012","134","","19965","19968","10.1021/ja309076g","","","0.71073","MoKα","","0.0391","0.0287","","","0.064","0.067","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118985","8.334","0.004","16.431","0.007","23.614","0.01","90","","98.9292","0.0015","90","","3194","2","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 B F2 N2 -","- C35 H53 B F2 N2 -","- C140 H212 B4 F8 N8 -","4","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.7107","MoKα","","0.071","0.0571","","","0.1232","0.1306","","","","","","1.151","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118986","10.724","0.004","20.898","0.008","28.226","0.011","90","","90","","90","","6326","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H53 B F N2 -","- C35 H53 B F N2 -","- C280 H424 B8 F8 N16 -","8","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.7107","MoKα","","0.1112","0.0949","","","0.1745","0.1811","","","","","","1.295","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118987","16.741","0.004","9.664","0.002","22.416","0.005","90","","104.58","0.007","90","","3509.8","1.4","93.15","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H110 B2 F2 N4 O2 -","- C76 H110 B2 F2 N4 O2 -","- C152 H220 B4 F4 N8 O4 -","2","0.5","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.71075","MoKα","","0.0983","0.0599","","","0.1369","0.1622","","","","","","1.073","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118988","23.803","0.006","24.237","0.005","16.56","0.004","90","","125.035","0.003","90","","7823","3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 B F N2 O2 -","- C42 H58 B F N2 O2 -","- C336 H464 B8 F8 N16 O16 -","8","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.71075","MoKα","","0.0941","0.0605","","","0.1629","0.1878","","","","","","1.05","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118989","5.9166","0.0002","13.7691","0.0005","15.2416","0.0005","90.41","0.002","95.548","0.002","96.1","0.002","1228.67","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H30 O4 -","- C27 H30 O4 -","- C54 H60 O8 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.0666","0.0477","","","0.1179","0.1253","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118990","7.0249","0.0004","10.3298","0.0005","11.2418","0.0005","108.321","0.003","93.281","0.003","92.027","0.003","771.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C30 H36 Cl2 N6 O2 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.073","0.0474","","","0.1055","0.1164","","","","","","0.949","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118991","9.7833","0.0004","10.3659","0.0005","13.4336","0.0005","94.021","0.003","98.768","0.003","90.566","0.003","1342.81","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 O9 Si -","- C29 H26 O9 Si -","- C58 H52 O18 Si2 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.0812","0.0593","","","0.1514","0.1761","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118992","19.0446","0.0015","13.135","0.001","19.9003","0.0016","90","","106.515","0.003","90","","4772.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 B S -","- C32 H23 B S -","- C256 H184 B8 S8 -","8","2","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0731","0.0489","","","0.1183","0.1327","","","","","","1.019","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118993","23.004","0.016","12.385","0.009","22.553","0.016","90","","115.261","0.011","90","","5811","7","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 B S Si -","- C35 H31 B S Si -","- C280 H248 B8 S8 Si8 -","8","2","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0677","0.0399","","","0.0884","0.1034","","","","","","1.041","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118994","5.8245","0.0008","11.9115","0.0019","20.946","0.003","86.191","0.005","83.922","0.006","83.466","0.005","1433.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H31 B O -","- C39 H31 B O -","- C78 H62 B2 O2 -","2","1","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0758","0.0593","","","0.1382","0.145","","","","","","1.176","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118995","9.915","0.0006","9.915","0.0006","25.0921","0.0015","90","","90","","90","","2466.7","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C33 H26 B N -","- C33 H26 B N -","- C132 H104 B4 N4 -","4","0.5","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0511","0.0397","","","0.0913","0.0958","","","","","","1.139","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118996","12.177","0.006","22.427","0.012","13.406","0.007","90","","93.599","0.018","90","","3654","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 B N3 -","- C46 H42 B N3 -","- C184 H168 B4 N12 -","4","1","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0899","0.0462","","","0.0952","0.1112","","","","","","1.015","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118997","12.8065","0.0005","16.3767","0.0007","15.7886","0.0007","90","","90.731","0.002","90","","3311","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H68 B2 Cl4 N4 S2 -","- C80 H68 B2 Cl4 N4 S2 -","- C160 H136 B4 Cl8 N8 S4 -","2","0.5","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0732","0.0465","","","0.1212","0.135","","","","","","1.047","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118998","5.22","0.002","12.634","0.005","24.533","0.01","90","","90","","90","","1617.9","1.1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.1939","0.0776","","","0.0984","0.1347","","","","","","0.994","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118999","7.803","0.002","8.447","0.002","15.916","0.004","90","","90","","90","","1049.1","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0662","0.0515","","","0.1188","0.1272","","","","","","1.029","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119000","15.455","0.002","14.2299","0.0014","9.9701","0.0009","90","","90","","90","","2192.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C104 H160 O16 -","8","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0842","0.0765","","","0.1271","0.1299","","","","","","1.346","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119001","6.391","0.001","12.075","0.002","18.79","0.002","90","","90","","90","","1450","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.1015","0.0768","","","0.1173","0.1259","","","","","","1.081","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119002","6.855","0.003","11.073","0.005","18.409","0.008","90","","90","","90","","1397.3","1.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.2127","0.0824","","","0.1461","0.1822","","","","","","0.963","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119003","8.059","0.004","12.224","0.005","15.477","0.007","90","","90","","90","","1524.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0474","0.0412","","","0.1011","0.1041","","","","","","0.996","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119004","12.566","0.006","12.26","0.005","10.22","0.005","90","","102.514","0.006","90","","1537.1","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O -","- C18 H23 N O -","- C72 H92 N4 O4 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0763","0.0649","","","0.1733","0.1829","","","","","","1.059","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119005","9.849","0.004","11.546","0.005","19.915","0.008","90","","95.101","0.005","90","","2255.7","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C92 H136 N8 O16 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0811","0.0619","","","0.1526","0.1665","","","","","","1.056","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119006","6.751","0.002","10.752","0.003","14.225","0.005","90","","101.543","0.005","90","","1011.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O5 S -","- C19 H26 N2 O5 S -","- C38 H52 N4 O10 S2 -","2","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0751","0.0554","","","0.1179","0.1254","","","","","","0.977","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119007","6.7451","0.0013","14.825","0.003","16.546","0.004","90","","90","","90","","1654.5","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O3 -","- C18 H13 Cl2 N O3 -","- C72 H52 Cl8 N4 O12 -","4","1","","Takuya Oguma; Tsutomu Katsuki","Iron-Catalyzed Dioxygen-Driven C-C Bond Formation: Oxidative Dearomatization of 2-Naphthols with Construction of a Chiral Quaternary Stereocenter","Journal of the American Chemical Society","2012","134","","20017","20020","10.1021/ja310203c","","","0.71075","MoKα","","","0.0828","","","","0.1627","","","","","","1.099","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119008","7.0718","0.0017","9.922","0.003","19.048","0.005","90","","95.248","0.005","90","","1330.9","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Takuya Oguma; Tsutomu Katsuki","Iron-Catalyzed Dioxygen-Driven C-C Bond Formation: Oxidative Dearomatization of 2-Naphthols with Construction of a Chiral Quaternary Stereocenter","Journal of the American Chemical Society","2012","134","","20017","20020","10.1021/ja310203c","","","0.71075","MoKα","","","0.0693","","","","0.1988","","","","","","1.092","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119009","16.4767","0.0003","4.7717","0.0001","20.1538","0.0004","90","","111.124","0.001","90","","1478.05","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","2","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71073","MoKα","","0.0521","0.0368","","","0.0662","0.0709","","","","","","0.966","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119010","5.1753","0.0009","8.4468","0.0011","30.485","0.005","90","","90","","90","","1332.6","0.4","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C52 H72 Br4 N4 O8 -","4","1","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71075","MoKα","","","0.0336","","","","0.092","","","","","","1.121","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119011","5.1865","0.0001","20.1756","0.0003","7.4953","0.0001","90","","104.071","0.001","90","","760.78","0.02","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 Br2 O2 -","- C15 H20 Br2 O2 -","- C30 H40 Br4 O4 -","2","1","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71073","MoKα","","0.0201","0.0194","","","0.0447","0.0448","","","","","","0.939","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119012","9.1401","0.0005","8.7933","0.0004","9.4025","0.0004","90","","91.943","0.002","90","","755.26","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Cl O6 -","- C15 H15 Cl O6 -","- C30 H30 Cl2 O12 -","2","1","","Kimberly M. Steward; Michael T. Corbett; C. Guy Goodman; Jeffrey S. Johnson","Asymmetric Synthesis of Diverse Glycolic Acid Scaffolds via Dynamic Kinetic Resolution of α-Keto Esters","Journal of the American Chemical Society","2012","134","","20197","20206","10.1021/ja3102709","","","1.54184","CuKα","","0.0256","0.0254","","","0.0608","0.0609","","","","","","1.061","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119013","11.8248","0.0019","25.228","0.004","17.106","0.003","90","","90","","90","","5103","1.5","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C48 H72 Si10 -","- C48 H72 Si10 -","- C192 H288 Si40 -","4","0.25","","Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto","New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution","Journal of the American Chemical Society","2012","134","","20029","20032","10.1021/ja310391m","","","0.71073","MoKα","","0.0409","0.0352","","","0.0925","0.0985","","","","","","1.083","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119014","12.045","0.001","6.7445","0.0004","16.898","0.001","90","0.001","102.847","0.001","90","0.001","1338.39","0.16","173.1","","173.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 Si5 -","- C24 H36 Si5 -","- C48 H72 Si10 -","2","1","","Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto","New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution","Journal of the American Chemical Society","2012","134","","20029","20032","10.1021/ja310391m","","","0.7107","MoKα","","","0.0295","","","","0.0684","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119015","13.1141","0.0008","5.6496","0.0003","22.6159","0.0014","90","","106.438","0.001","90","","1607.11","0.16","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br -","- C22 H17 Br -","- C88 H68 Br4 -","4","1","","Kathryn A. Moore; Jesus S. Vidaurri-Martinez; Dasan M. Thamattoor","The Benzylidenecarbene-Phenylacetylene Rearrangement: An Experimental and Computational Study","Journal of the American Chemical Society","2012","134","","20037","20040","10.1021/ja310440e","","","0.71073","MoKα","","0.0475","0.04","","","0.102","0.1063","","","","","","0.959","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119016","4.74","0.0004","17.2999","0.0014","17.9831","0.0014","90","","93.957","0.001","90","","1471.1","0.2","93","2","93","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 -","- C22 H16 -","- C88 H64 -","4","1","","Kathryn A. Moore; Jesus S. Vidaurri-Martinez; Dasan M. Thamattoor","The Benzylidenecarbene-Phenylacetylene Rearrangement: An Experimental and Computational Study","Journal of the American Chemical Society","2012","134","","20037","20040","10.1021/ja310440e","","","0.71073","MoKα","","0.0653","0.0458","","","0.1284","0.1497","","","","","","1.015","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119017","14.552","0.004","17.226","0.005","22.142","0.006","87.924","0.005","73.64","0.005","77.2","0.005","5191","3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","L(Me)Fe(tBupy)2","","","- C47 H67 Fe N4 -","- C47 H67 Fe N4 -","- C188 H268 Fe4 N16 -","4","2","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1718","0.0946","","","0.2333","0.2683","","","","","","0.94","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119018","14.676","0.003","34.656","0.008","14.788","0.003","90","","90","","90","","7521","3","100","0.1","100","0.1","","","","","","","","4","P n n a","-P 2a 2bc","52","[L(Me)Fe]2(u-C10H10N2)","","","- C83 H114 Fe2 N8 -","- C83 H114 Fe2 N8 -","- C332 H456 Fe8 N32 -","4","0.5","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1099","0.0649","","","0.1244","0.1417","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119019","14.783","0.002","17.156","0.003","18.848","0.003","90","","92.15","0.003","90","","4776.8","1.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holkcm01","","","- C58 H66 Fe N4 -","- C58 H66 Fe N4 -","- C232 H264 Fe4 N16 -","4","1","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1425","0.0666","","","0.1239","0.1513","","","","","","1.013","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119020","11.6446","0.0006","24.0079","0.0011","13.3326","0.0006","90","","99.087","0.002","90","","3680.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","RuCppH","","","- C30 H23 F12 N7 O4 P2 Ru -","- C30 H23 F12 N7 O4 P2 Ru -","- C120 H92 F48 N28 O16 P8 Ru4 -","4","1","","Vanessa Pierroz; Tanmaya Joshi; Anna Leonidova; Cristina Mari; Julia Schur; Ingo Ott; Leone Spiccia; Stefano Ferrari; Gilles Gasser","Molecular and Cellular Characterization of the Biological Effects of Ruthenium(II) Complexes Incorporating 2-Pyridyl-2-pyrimidine-4-carboxylic Acid","Journal of the American Chemical Society","2012","134","","20376","20387","10.1021/ja307288s","","","0.71073","MoKα","","0.0598","0.0488","","","0.1309","0.1401","","","","","","1.03","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119021","15.8449","0.0007","14.7672","0.0008","16.7863","0.0009","90","","99.325","0.003","90","","3875.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","RuCppLOH","","","- C36 H34 Cl2 N8 O13 Ru -","- C36 H34 Cl2 N8 O13 Ru -","- C144 H136 Cl8 N32 O52 Ru4 -","4","1","","Vanessa Pierroz; Tanmaya Joshi; Anna Leonidova; Cristina Mari; Julia Schur; Ingo Ott; Leone Spiccia; Stefano Ferrari; Gilles Gasser","Molecular and Cellular Characterization of the Biological Effects of Ruthenium(II) Complexes Incorporating 2-Pyridyl-2-pyrimidine-4-carboxylic Acid","Journal of the American Chemical Society","2012","134","","20376","20387","10.1021/ja307288s","","","0.71073","MoKα","","0.076","0.0529","","","0.1321","0.1445","","","","","","1.106","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119022","32.527","0.007","10.868","0.002","16.48","0.003","90","","119.26","0.03","90","","5082","2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H35 P -","- C31 H35 P -","- C248 H280 P8 -","8","1","","Weizhi Geng; Wen-Xiong Zhang; Wei Hao; Zhenfeng Xi","Cyclopentadiene-Phosphine/Palladium-Catalyzed Cleavage of C-N Bonds in Secondary Amines: Synthesis of Pyrrole and Indole Derivatives from Secondary Amines and Alkenyl or Aryl Dibromides","Journal of the American Chemical Society","2012","134","","20230","20233","10.1021/ja308950d","","","0.71073","MoKα","","0.1092","0.0499","","","0.0656","0.0712","","","","","","0.845","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4119023","12.776","0.003","16.646","0.003","14.441","0.003","90","","115.63","0.03","90","","2769","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H68 Cl2 P2 Pd2 -","- C62 H68 Cl2 P2 Pd2 -","- C124 H136 Cl4 P4 Pd4 -","2","1","","Weizhi Geng; Wen-Xiong Zhang; Wei Hao; Zhenfeng Xi","Cyclopentadiene-Phosphine/Palladium-Catalyzed Cleavage of C-N Bonds in Secondary Amines: Synthesis of Pyrrole and Indole Derivatives from Secondary Amines and Alkenyl or Aryl Dibromides","Journal of the American Chemical Society","2012","134","","20230","20233","10.1021/ja308950d","","","0.71073","MoKα","","0.1261","0.0558","","","0.1226","0.161","","","","","","0.993","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119024","6.8131","0.0019","15.782","0.004","11.155","0.003","90","","103.078","0.004","90","","1168.3","0.5","100","2","100","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","RH430","","","- C50 H50 O16 Zn2 -","- C44 H26 O10 Zn2 -","- C44 H26 O10 Zn2 -","1","0.25","","Kyriakos C. Stylianou; Jeremy Rabone; Samantha Y. Chong; Romain Heck; Jayne Armstrong; Paul V. Wiper; Kim E. Jelfs; Sergey Zlatogorsky; John Bacsa; Alec G. McLennan; Christopher P. Ireland; Yaroslav Z. Khimyak; K. Mark Thomas; Darren Bradshaw; Matthew J. Rosseinsky","Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","20466","20478","10.1021/ja308995t","","","0.71073","MoKα","","0.0495","0.0446","","","0.1225","0.1261","","","","","","1.061","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119025","9.2783","0.0016","10.75","0.002","11.287","0.002","87.708","0.008","80.253","0.006","70.918","0.007","1048.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe2 N4 Si4 -","- C36 H56 Fe2 N4 Si4 -","- C36 H56 Fe2 N4 Si4 -","1","0.5","","Takuji Hatakeyama; Ryuji Imayoshi; Yuya Yoshimoto; Sujit K. Ghorai; Masayoshi Jin; Hikaru Takaya; Kazuhiro Norisuye; Yoshiki Sohrin; Masaharu Nakamura","Iron-Catalyzed Aromatic Amination for Nonsymmetrical Triarylamine Synthesis","Journal of the American Chemical Society","2012","134","","20262","20265","10.1021/ja309845k","","","0.7107","MoKα","","0.042","0.0355","","","0.0844","0.0881","","","","","","1.046","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119026","20.3811","0.0006","26.9813","0.0009","27.5389","0.0009","106.895","0.002","91.108","0.002","96.509","0.002","14375.1","0.8","202","2","202","2","","","","","","","","7","P -1","-P 1","2","Au24(PPh3)10(SR)5ClBr","","","- C220 H185 Au24 Br1.34 Cl0.67 P10 S5 -","- C220 H185 Au24 Br1.357 Cl0.643 P10 S5 -","- C440 H370 Au48 Br2.714 Cl1.286 P20 S10 -","2","1","","Anindita Das; Tao Li; Katsuyuki Nobusada; Qiong Zeng; Nathaniel L. Rosi; Rongchao Jin","Total Structure and Optical Properties of a Phosphine/Thiolate-Protected Au24 Nanocluster","Journal of the American Chemical Society","2012","134","","20286","20289","10.1021/ja3101566","","","1.54178","CuKα","","0.0958","0.0533","","","0.156","0.1861","","","","","","1.031","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119027","13.0071","0.0007","6.7819","0.0004","22.038","0.0015","90","","93.132","0.002","90","","1941.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34 O2 -","- C24 H34 O2 -","- C96 H136 O8 -","4","1","","Michael A. Schafroth; David Sarlah; Simon Krautwald; Erick M. Carreira","Iridium-Catalyzed Enantioselective Polyene Cyclization","Journal of the American Chemical Society","2012","134","","20276","20278","10.1021/ja310386m","","","0.71073","MoKα","","0.0426","0.0364","","","0.0867","0.0906","","","","","","1.132","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119028","17.072","0.002","15.982","0.002","18.311","0.002","90","","90","","90","","4996.1","1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H27 B F24 N5 O3 Re -","- C48 H27 B F24 N5 O3 Re -","- C192 H108 B4 F96 N20 O12 Re4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1113","0.053","","","0.0955","0.1211","","","","","","0.958","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119029","13.3687","0.001","9.4769","0.0007","39.453","0.0019","90","","93.559","0.001","90","","4988.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 B F24 N5 O3 Re -","- C49 H29 B F24 N5 O3 Re -","- C196 H116 B4 F96 N20 O12 Re4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1286","0.0511","","","0.0876","0.1063","","","","","","0.808","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119030","13.6164","0.0008","15.5341","0.0009","16.0883","0.0011","89.142","0.004","77.599","0.004","77.534","0.003","3243.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F3 N6 O6 Re S -","- C25 H28 F3 N6 O6 Re S -","- C100 H112 F12 N24 O24 Re4 S4 -","4","2","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1552","0.0976","","","0.2418","0.2763","","","","","","1.073","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119031","10.4146","0.0005","13.4021","0.0006","14.6235","0.0007","90","","108.269","0.005","90","","1938.23","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 N2 O6 Re S -","- C16 H14 F3 N2 O6 Re S -","- C64 H56 F12 N8 O24 Re4 S4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.0282","0.0226","","","0.0551","0.0569","","","","","","1","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119032","8.2766","0.0012","7.5631","0.0011","23.141","0.003","90","","92.492","0.002","90","","1447.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DJS01","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0463","0.0375","","","0.0929","0.0971","","","","","","1.051","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119033","19.258","0.005","8.836","0.002","10.373","0.003","90","","90","","90","","1765.1","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","DJS477","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0293","0.028","","","0.0717","0.0728","","","","","","0.982","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119034","11.2299","0.0007","6.1185","0.0004","11.449","0.0007","90","","107.071","0.001","90","","752","0.08","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0269","0.0258","","","0.0671","0.0684","","","","","","1.072","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119035","17.0906","0.0003","22.3234","0.0004","26.9891","0.0005","90","","90","","90","","10296.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H42 B F5 Fe P4 -","- C54 H42 B F5 Fe P4 -","- C432 H336 B8 F40 Fe8 P32 -","8","1","","Carolin Ziebart; Christopher Federsel; Pazhamalai Anbarasan; Ralf Jackstell; Wolfgang Baumann; Anke Spannenberg; Matthias Beller","Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate","Journal of the American Chemical Society","2012","134","","20701","20704","10.1021/ja307924a","","","0.71073","MoKα","","0.0859","0.0558","","","0.1391","0.1488","","","","","","0.962","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119036","10.4689","0.0003","13.1486","0.0004","15.6192","0.0005","102.458","0.003","90.654","0.003","92.795","0.003","2096.35","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H42 P4 -","- C54 H42 P4 -","- C108 H84 P8 -","2","1","","Carolin Ziebart; Christopher Federsel; Pazhamalai Anbarasan; Ralf Jackstell; Wolfgang Baumann; Anke Spannenberg; Matthias Beller","Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate","Journal of the American Chemical Society","2012","134","","20701","20704","10.1021/ja307924a","","","0.71073","MoKα","","0.043","0.0299","","","0.0708","0.0732","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4119037","9.3019","0.0007","9.6426","0.0007","11.6855","0.0007","87.354","0.002","89.943","0.002","61.196","0.002","917.19","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H52 N4 O7 -","- C36 H46 N4 O7 -","- C36 H46 N4 O7 -","1","1","","Jangbae Kim; Sunbum Kwon; Su Hyun Kim; Chung-Kyung Lee; Joon-Hwa Lee; Sung June Cho; Hee-Seung Lee; Hyotcherl Ihee","Microtubes with Rectangular Cross-Section by Self-Assembly of a Short β-Peptide Foldamer","Journal of the American Chemical Society","2012","134","","20573","20576","10.1021/ja3088482","","","0.71073","MoKα","","0.1415","0.0716","","","0.1703","0.2092","","","","","","1.033","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119038","12.1695","0.0008","7.8377","0.0005","23.1846","0.0017","90","","100.189","0.006","90","","2176.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge K4 P4 S12 -","- Ge K4 P4 S12 -","- Ge4 K16 P16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0771","0.0482","","","0.0639","0.0691","","","","","","1.058","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119039","12.3217","0.0006","8.0462","0.0003","23.5743","0.0011","90","","100.622","0.004","90","","2297.17","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge P4 Rb4 S12 -","- Ge P4 Rb4 S12 -","- Ge4 P16 Rb16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0609","0.0403","","","0.0507","0.0536","","","","","","1.136","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119040","12.6475","0.0006","8.302","0.0003","24.2428","0.0013","90","","102.012","0.004","90","","2489.7","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs4 Ge P4 S12 -","- Cs4 Ge P4 S12 -","- Cs16 Ge4 P16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0606","0.0368","","","0.0591","0.0635","","","","","","1.026","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119041","13.9465","0.0004","7.2435","0.0002","24.0511","0.0009","90","","90","","90","","2429.68","0.13","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ge K4 P4 Se12 -","- Ge K4 P4 Se12 -","- Ge4 K16 P16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0443","0.0349","","","0.0877","0.1178","","","","","","1.108","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119042","14.1881","0.0005","7.3566","0.0003","24.2914","0.0015","90","","90","","90","","2535.4","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ge P4 Rb4 Se12 -","- Ge P4 Rb4 Se12 -","- Ge4 P16 Rb16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0878","0.0561","","","0.0633","0.0696","","","","","","1.032","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119043","14.3268","0.0007","7.6202","0.0003","24.6301","0.0014","90","","90","","90","","2688.9","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cs4 Ge P4 Se12 -","- Cs4 Ge P4 Se12 -","- Cs16 Ge4 P16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0853","0.054","","","0.0703","0.0767","","","","","","0.998","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119044","30.475","0.004","18.73","0.002","9.4164","0.0012","90","","90","","90","","5374.9","1.1","100","2","100","2","","","","","","","1,2-difluorobenzene, diethylether","8","P n n a","-P 2a 2bc","52","","","","- C22 H27 B F5 Fe Ni O3 S4 -","- C22 H27 B F5 Fe Ni O3 S4 -","- C176 H216 B8 F40 Fe8 Ni8 O24 S32 -","8","1","","Katharina Weber; Tobias Krämer; Hannah S. Shafaat; Thomas Weyhermüller; Eckhard Bill; Maurice van Gastel; Frank Neese; Wolfgang Lubitz","A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation","Journal of the American Chemical Society","2012","134","","20745","20755","10.1021/ja309563p","","","0.71073","MoKα","","0.069","0.0377","","","0.0731","0.0827","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119045","10.3219","0.0011","17.114","0.002","13.8157","0.0014","90","","93.484","0.002","90","","2436","0.5","100","2","100","2","","","","","","","dichloromethane, diethylether","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Fe Ni O3.5 S4 -","- C21 H29 Fe Ni O3.5 S4 -","- C84 H116 Fe4 Ni4 O14 S16 -","4","1","","Katharina Weber; Tobias Krämer; Hannah S. Shafaat; Thomas Weyhermüller; Eckhard Bill; Maurice van Gastel; Frank Neese; Wolfgang Lubitz","A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation","Journal of the American Chemical Society","2012","134","","20745","20755","10.1021/ja309563p","","","0.71073","MoKα","","0.0281","0.021","","","0.0528","0.057","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119046","10.657","0.001","15.472","0.001","19.027","0.001","101.86","0.001","94.24","0.001","104.373","0.001","2948.3","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H84 N3 O3 P2 Y -","- C60 H78 N3 O3 P2 Y -","- C120 H156 N6 O6 P4 Y2 -","2","1","","Clare Bakewell; Thi-Phuong-Anh Cao; Nicholas Long; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Yttrium Phosphasalen Initiators for rac-Lactide Polymerization: Excellent Rates and High Iso-Selectivities","Journal of the American Chemical Society","2012","134","","20577","20580","10.1021/ja310003v","","","0.71069","MoKα","","0.1231","0.0839","","","0.1627","0.1817","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119047","27.529","0.001","28.356","0.001","18.325","0.001","90","","124.463","0.001","90","","11794.1","0.9","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C126 H168 N6 O6 P4 Y2 -","- C114 H144 N6 O6 P4 Y2 -","- C456 H576 N24 O24 P16 Y8 -","4","0.5","","Clare Bakewell; Thi-Phuong-Anh Cao; Nicholas Long; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Yttrium Phosphasalen Initiators for rac-Lactide Polymerization: Excellent Rates and High Iso-Selectivities","Journal of the American Chemical Society","2012","134","","20577","20580","10.1021/ja310003v","","","0.71069","MoKα","","0.0842","0.0565","","","0.1136","0.1259","","","","","","1.05","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119048","5.6251","0.0004","7.8446","0.0007","9.7402","0.0008","76.794","0.007","89.114","0.006","77.979","0.007","409.03","0.06","173","2","173","","","","","","","","","4","P -1","-P 1","2","hydroxylammonium 1,3-di(nitroimide)-1,2,3-triazolate","hydroxylammonium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H6 N8 O5 -","- C2 H6 N8 O5 -","- C4 H12 N16 O10 -","2","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0358","0.0286","","","0.0678","0.0725","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119049","6.4299","0.0002","5.6658","0.0002","20.5491","0.0008","90","","90","","90","","748.61","0.05","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","ammonium 1,3-di(nitroimide)-1,2,3-triazolate","ammonium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H6 N8 O4 -","- C2 H6 N8 O4 -","- C8 H24 N32 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0395","0.038","","","0.0978","0.0999","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119050","3.6154","0.0004","23.16","0.002","10.0335","0.0009","90","","91.855","0.011","90","","839.69","0.14","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","hydrazinium 1,3-di(nitroimide)-1,2,3-triazolate","hydrazinium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H7 N9 O4 -","- C2 H7 N9 O4 -","- C8 H28 N36 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.1029","0.0714","","","0.1632","0.1822","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119051","9.6819","0.0014","9.8267","0.0012","12.1787","0.0019","89.446","0.011","88.555","0.012","89.845","0.011","1158.3","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","triaminoguanidinium 1,3-di(nitroimide)-1,2,3-triazolate","triaminoguanidinium 1,3-di(nitroimide)-1,2,3-triazolate","","- C3 H11 N13 O4 -","- C3 H11 N13 O4 -","- C12 H44 N52 O16 -","4","2","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.1243","0.0827","","","0.199","0.2313","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119052","5.5785","0.0006","8.5311","0.0007","15.4048","0.0011","90","","90","","90","","733.13","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","silver 1,3-di(nitroimide)-1,2,3-triazolate","silver 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H2 Ag N7 O4 -","- C2 H2 Ag N7 O4 -","- C8 H8 Ag4 N28 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0276","0.0238","","","0.0492","0.0508","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119053","9.7258","0.0004","19.6056","0.0007","8.2346","0.0003","90","","90","","90","","1570.17","0.1","173","2","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","potassium 1,3-di(nitroimide)-1,2,3-triazolate","potassium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H2 K N7 O4 -","- C2 H2 K N7 O4 -","- C16 H16 K8 N56 O32 -","8","2","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0314","0.0277","","","0.062","0.0643","","","","","","1.044","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4119054","4.9507","0.0004","7.5613","0.0007","45.518","0.004","90","","90","","90","","1703.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Bo Zhang; Yao Wang; Sheng-Ping Yang; Yu Zhou; Wen-Bin Wu; Wei Tang; Jian-Ping Zuo; Ying Li; Jian-Min Yue","Ivorenolide A, an Unprecedented Immunosuppressive Macrolide from Khaya ivorensis: Structural Elucidation and Bioinspired Total Synthesis","Journal of the American Chemical Society","2012","134","","20605","20608","10.1021/ja310482z","","","0.71073","MoKα","","0.0527","0.048","","","0.1167","0.1192","","","","","","1.127","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119055","16.1117","0.00029","19.3001","0.00029","20.2389","0.00029","61.808","0.0014","81.3167","0.0007","81.9714","0.0007","5466.37","0.17","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C78 H82 Cr2 Mo2 O14 -","- C78 H82 Cr2 Mo2 O14 -","- C234 H246 Cr6 Mo6 O42 -","3","1.5","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Terry L. Gustafson; Vesal Naseri; Thomas F. Spilker","Electronic Structure and Excited-State Dynamics of the Molecular Triads: trans-M2(TiPB)2[O2CC6H5-η6-Cr(CO)3]2, Where M = Mo or W, and TiPB = 2,4,6-triisopropylbenzoate","Journal of the American Chemical Society","2012","134","","20820","20826","10.1021/ja310651y","","x-ray","0.71073","MoKα","","0.1031","0.0761","","","0.1612","0.1763","","","","","","1.148","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4119056","36.554","0.004","15.5755","0.0008","12.4572","0.0006","90","","90","","90","","7092.5","0.9","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C81 H94 F K N4 O12 -","- C79 H82 F K N4 O10 -","- C316 H328 F4 K4 N16 O40 -","4","0.5","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","1.5418","CuKα","","0.2","0.1404","","","0.2471","0.2783","","","","","","1.196","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119057","20.693","0.0013","26.3422","0.0016","28.8106","0.0016","90","","90","","90","","15704.6","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C82 H92 Cl6 Cs F N4 O11 -","- C79 H85 Cs F N4 O10 -","- C632 H680 Cs8 F8 N32 O80 -","8","1","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","0.71069","MoKα","","0.1695","0.0917","","","0.175","0.1926","","","","","","1.255","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119058","28.679","0.0004","15.9767","0.0003","22.2674","0.0005","90","","91.8471","0.0015","90","","10197.5","0.3","281","4","281","4","","","","","","","","8","I 1 2/c 1","-I 2yc","15","","","","- C55 H48 F3 N O4 P2 Pd S -","- C55 H48 F3 N O4 P2 Pd S -","- C440 H384 F24 N8 O32 P16 Pd8 S8 -","8","1","","Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines","Journal of the American Chemical Society","2012","134","","20613","20616","10.1021/ja310848x","","","1.5418","CuKα","","0.0416","0.037","","","0.1039","0.1092","","","","","","1.076","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119059","6.1308","0.0005","33.463","0.004","10.2958","0.0007","90","","90.668","0.007","90","","2112.1","0.3","294.32","0.1","294.32","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 N -","- C27 H25 N -","- C108 H100 N4 -","4","2","","Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines","Journal of the American Chemical Society","2012","134","","20613","20616","10.1021/ja310848x","","","1.5418","CuKα","","0.1782","0.0971","","","0.2751","0.3725","","","","","","1.049","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4119060","25.919","0.004","11.0585","0.0018","26.886","0.004","90","","115.146","0.012","90","","6976","2","153","2","153","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C76 H67 O14 P3 Ru -","- C76 H67 O14 P3 Ru -","- C304 H268 O56 P12 Ru4 -","4","1","","Emma L. McInturff; Eiji Yamaguchi; Michael J. Krische","Chiral-Anion-Dependent Inversion of Diastereo- and Enantioselectivity in Carbonyl Crotylation via Ruthenium-Catalyzed Butadiene Hydrohydroxyalkylation","Journal of the American Chemical Society","2012","134","","20628","20631","10.1021/ja311208a","","","0.71075","MoKα","","0.1357","0.0757","","","0.1487","0.179","","","","","","1.018","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4327722","9.7698","0.0011","20.06","0.002","18.2973","0.0016","90","","100.457","0.004","90","","3526.4","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Fe Gd N11 O18 -","- C26 H22 Fe Gd N11 O18 -","- C104 H88 Fe4 Gd4 N44 O72 -","4","1","","Marilena Ferbinteanu; Fanica Cimpoesu; Mihai A. Gîrţu; Cristian Enachescu; Stefania Tanase","Structure and Magnetism in Fe-Gd Based Dinuclear and Chain Systems. The Interplay of Weak Exchange Coupling and Zero Field Splitting Effects","Inorganic Chemistry","2012","51","","40","50","10.1021/ic1023289","","","0.71073","MoKα","","0.0977","0.0678","","","0.1568","0.1722","","","","","","0.94","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327723","11.164","0.003","13.617","0.004","15.816","0.005","103.315","0.006","92.744","0.006","109.824","0.006","2180.1","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Fe Gd N14 O25 -","- C29 H31 Fe Gd N14 O24.5 -","- C58 H62 Fe2 Gd2 N28 O49 -","2","1","","Marilena Ferbinteanu; Fanica Cimpoesu; Mihai A. Gîrţu; Cristian Enachescu; Stefania Tanase","Structure and Magnetism in Fe-Gd Based Dinuclear and Chain Systems. The Interplay of Weak Exchange Coupling and Zero Field Splitting Effects","Inorganic Chemistry","2012","51","","40","50","10.1021/ic1023289","","","0.71073","MoKα","","0.0726","0.0594","","","0.1456","0.1528","","","","","","1.023","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327724","10.7067","0.0011","14.162","0.003","14.449","0.003","113.349","0.004","92.674","0.011","96.639","0.01","1987.7","0.6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H43 B2 F8 N9 O Ru -","- C38 H30 B2 F7.96 N9 O Ru -","- C76 H60 B4 F15.92 N18 O2 Ru2 -","2","1","","Hiroyuki Nitadori; Takeshi Takahashi; Akiko Inagaki; Munetaka Akita","Enhanced Photocatalytic Activity of α-Methylstyrene Oligomerization through Effective Metal-to-Ligand Charge-Transfer Localization on the Bridging Ligand","Inorganic Chemistry","2012","51","","51","62","10.1021/ic200291t","","","0.71075","MoKα","","0.0682","0.0628","","","0.1758","0.1802","","","","","","1.047","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327725","10.912","0.003","14.096","0.008","14.207","0.008","106.397","0.011","101.67","0.03","96.52","0.03","2018.9","1.7","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H30 Br2 Cl2 F12 N8 P2 Ru -","- C33 H28 Br2 Cl2 F12 N8 P2 Ru -","- C66 H56 Br4 Cl4 F24 N16 P4 Ru2 -","2","1","","Hiroyuki Nitadori; Takeshi Takahashi; Akiko Inagaki; Munetaka Akita","Enhanced Photocatalytic Activity of α-Methylstyrene Oligomerization through Effective Metal-to-Ligand Charge-Transfer Localization on the Bridging Ligand","Inorganic Chemistry","2012","51","","51","62","10.1021/ic200291t","","","0.71075","MoKα","","0.2469","0.074","","","0.1532","0.204","","","","","","0.838","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327726","10.866","0.006","16.183","0.009","18.127","0.006","101.79","0.03","106.73","0.03","109.361","0.014","2717","2","213","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H62 B2 Br2 F8 N8 O Ru -","- C48 H52 B2 Br2 F8 N8 O Ru -","- C96 H104 B4 Br4 F16 N16 O2 Ru2 -","2","1","","Hiroyuki Nitadori; Takeshi Takahashi; Akiko Inagaki; Munetaka Akita","Enhanced Photocatalytic Activity of α-Methylstyrene Oligomerization through Effective Metal-to-Ligand Charge-Transfer Localization on the Bridging Ligand","Inorganic Chemistry","2012","51","","51","62","10.1021/ic200291t","","","0.71075","MoKα","","0.2058","0.0698","","","0.1656","0.216","","","","","","0.87","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327727","9.81","0.003","11.656","0.006","16.399","0.008","74.678","0.013","79.78","0.03","85.98","0.03","1779.3","1.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 B2 F8 N8 O4 Ru -","- C32 H30 B2 F8 N8 O4 Ru -","- C64 H60 B4 F16 N16 O8 Ru2 -","2","1","","Hiroyuki Nitadori; Takeshi Takahashi; Akiko Inagaki; Munetaka Akita","Enhanced Photocatalytic Activity of α-Methylstyrene Oligomerization through Effective Metal-to-Ligand Charge-Transfer Localization on the Bridging Ligand","Inorganic Chemistry","2012","51","","51","62","10.1021/ic200291t","","","0.71075","MoKα","","0.0878","0.0763","","","0.2123","0.2242","","","","","","1.077","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327728","11.8159","0.0016","11.8722","0.0016","19.5212","0.0018","94.45","0.007","99.518","0.006","108.866","0.004","2530.3","0.5","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H45 B3 F12 N12 Pd Ru -","- C41 H24 B3 F11.972 N12 Pd Ru -","- C82 H48 B6 F23.944 N24 Pd2 Ru2 -","2","1","","Hiroyuki Nitadori; Takeshi Takahashi; Akiko Inagaki; Munetaka Akita","Enhanced Photocatalytic Activity of α-Methylstyrene Oligomerization through Effective Metal-to-Ligand Charge-Transfer Localization on the Bridging Ligand","Inorganic Chemistry","2012","51","","51","62","10.1021/ic200291t","","","0.71075","MoKα","","0.0876","0.0657","","","0.1975","0.2111","","","","","","1.094","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327729","49.906","0.002","9.3466","0.0004","16.6736","0.0008","90","","101.978","0.001","90","","7608.1","0.6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H54 Ag F6 N6 O2 P -","- C30 H54 Ag F6 N6 O2 P -","- C240 H432 Ag8 F48 N48 O16 P8 -","8","2","","Tina H. T. Hsu; Jaishri J. Naidu; Bi-Jiuan Yang; Meng-Ying Jang; Ivan J. B. Lin","Self-Assembly of Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes in Solid State, Mesophase, and Solution","Inorganic Chemistry","2012","51","","98","108","10.1021/ic2011343","","","0.71073","MoKα","","0.0742","0.0441","","","0.1097","0.1414","","","","","","0.927","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327730","11.623","0.003","5.4942","0.0004","19.495","0.006","90","","103.1","0.04","90","","1212.5","0.5","120","","120","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H20 Mo7 N2 O23 -","- C6 H20 Mo7 N2 O23 -","- C12 H40 Mo14 N4 O46 -","2","0.5","","Martine Bujoli-Doeuff; Rémi Dessapt; Philippe Deniard; Stéphane Jobic","New Hybrid Layered Molybdates Based on 2/\ιnfty[MonO3n+1]2- Units (n= 7, 9) with Systematic Organic-Inorganic Interfaces","Inorganic Chemistry","2012","51","","142","149","10.1021/ic201298d","","","0.71069","MoKα","","0.0402","0.0402","","","0.0783","0.0783","","","","1.1","1.1","1.1","","","","has coordinates,has Fobs","179380","2020-10-21","18:00:00",""
"4327731","23.6437","0.0013","5.4528","0.0008","24.7496","0.0014","90","","109.699","0.002","90","","3004.1","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H22 Mo9 N2 O28 -","- C8 H22 Mo9 N2 O28 -","- C32 H88 Mo36 N8 O112 -","4","0.5","","Martine Bujoli-Doeuff; Rémi Dessapt; Philippe Deniard; Stéphane Jobic","New Hybrid Layered Molybdates Based on 2/\ιnfty[MonO3n+1]2- Units (n= 7, 9) with Systematic Organic-Inorganic Interfaces","Inorganic Chemistry","2012","51","","142","149","10.1021/ic201298d","","","0.71069","MoKα","","0.0566","0.0566","","","0.1026","0.1026","","","","1.2","1.2","1.2","","","","has coordinates,has Fobs","179380","2020-10-21","18:00:00",""
"4327732","10.6483","0.0007","9.853","0.0006","12.2114","0.0009","90","","109.362","0.002","90","","1208.73","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-bis(1,1-dimethylethyl)-4-methyl-1H-pyrazole","","- C12 H22 N2 -","- C12 H22 N2 -","- C48 H88 N8 -","4","1","","T. Arumuganathan; Manuel Volpe; Bastian Harum; Dietmar Wurm; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Unusual Nonoctahedral Geometry with Molybdenum Oxoimido Complexes Containing η2-Pyrazolate Ligands","Inorganic Chemistry","2012","51","","150","156","10.1021/ic201308g","","","0.71073","MoKα","","0.0575","0.0425","","","0.1037","0.1128","","","","","","1.031","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327733","9.6391","0.0014","12.251","0.002","14.203","0.003","65.037","0.012","72.924","0.012","76.939","0.012","1443.4","0.5","95","2","95","2","","","","","","","synthetical product","5","P -1","-P 1","2","","[3,5-bis(tert-butyl)-1H-pyrazolato-kappa-N1,kappa-N2][3,5-bis(tert-butyl)- 1H-pyrazolato-kappa-N1][tert-butylaminato]-oxo-molybdenum(VI)","","- C26 H47 Mo N5 O -","- C26 H47 Mo N5 O -","- C52 H94 Mo2 N10 O2 -","2","1","","T. Arumuganathan; Manuel Volpe; Bastian Harum; Dietmar Wurm; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Unusual Nonoctahedral Geometry with Molybdenum Oxoimido Complexes Containing η2-Pyrazolate Ligands","Inorganic Chemistry","2012","51","","150","156","10.1021/ic201308g","","","0.71069","MoKα","","0.0332","0.0285","","","0.0655","0.0678","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327734","11.7782","0.0006","15.5201","0.0008","17.931","0.0009","104.523","0.002","90.81","0.002","100.914","0.003","3109.1","0.3","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","","Bis[4-bromo-3,5-di(tert-butyl)-1H-pyrazolato-kappa-N1,kappa-N2][tert-bu- tyl-imido]-oxo-molybdenum(VI)","","- C26 H45 Br2 Mo N5 O -","- C26 H45 Br2 Mo N5 O -","- C104 H180 Br8 Mo4 N20 O4 -","4","2","","T. Arumuganathan; Manuel Volpe; Bastian Harum; Dietmar Wurm; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Unusual Nonoctahedral Geometry with Molybdenum Oxoimido Complexes Containing η2-Pyrazolate Ligands","Inorganic Chemistry","2012","51","","150","156","10.1021/ic201308g","","","0.71073","MoKα","","0.0702","0.0468","","","0.1159","0.1255","","","","","","1.018","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327735","11.8054","0.0004","15.3574","0.0006","17.8372","0.0006","104.458","0.0016","90.4678","0.0014","100.71","0.0017","3071.85","0.19","100","2","100","2","","","","","","","synthetical product","5","P -1","-P 1","2","","Bis[3,5-di(tert-butyl)-4-methyl-1H-pyrazolato-kappa-N1,kappa-N2][tert-bu- tyl-imido]-oxo-molybdenum(VI)","","- C28 H51 Mo N5 O -","- C28 H51 Mo N5 O -","- C112 H204 Mo4 N20 O4 -","4","2","","T. Arumuganathan; Manuel Volpe; Bastian Harum; Dietmar Wurm; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Unusual Nonoctahedral Geometry with Molybdenum Oxoimido Complexes Containing η2-Pyrazolate Ligands","Inorganic Chemistry","2012","51","","150","156","10.1021/ic201308g","","","0.71073","MoKα","","0.0451","0.0313","","","0.0743","0.0809","","","","","","1.03","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327736","10.362","0.0003","17.1909","0.0005","17.2977","0.0005","90","","95.616","0.001","90","","3066.49","0.15","100","2","100","2","","","","","","","synthetical product","5","P 1 21/c 1","-P 2ybc","14","","Bis[3,5-di(tert-butyl)-1H-pyrazolato-kappa-N1,kappa-N2][tert-butyl-imido]- -dichloro-molybdenum(VI)","","- C26 H47 Cl2 Mo N5 -","- C26 H47 Cl2 Mo N5 -","- C104 H188 Cl8 Mo4 N20 -","4","1","","T. Arumuganathan; Manuel Volpe; Bastian Harum; Dietmar Wurm; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Unusual Nonoctahedral Geometry with Molybdenum Oxoimido Complexes Containing η2-Pyrazolate Ligands","Inorganic Chemistry","2012","51","","150","156","10.1021/ic201308g","","","0.71073","MoKα","","0.0404","0.0313","","","0.0736","0.0785","","","","","","1.035","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327737","15.844","0.005","9.534","0.005","19.696","0.005","90","","103.756","0.005","90","","2889.9","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cl N3 Ru -","- C32 H36 Cl N3 Ru -","- C128 H144 Cl4 N12 Ru4 -","4","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0564","0.0403","","","0.1079","0.113","","","","","","1.051","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327738","18.565","0.002","8.3952","0.0011","19.908","0.002","90","","109.837","0.005","90","","2918.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl N3 O3 Ru -","- C32 H36 Cl N3 O3 Ru -","- C128 H144 Cl4 N12 O12 Ru4 -","4","2","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0397","0.0327","","","0.0704","0.0909","","","","","","1.18","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327739","10.355","0.005","8.834","0.005","15.1","0.005","90","","94.342","0.005","90","","1377.3","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl N3 Ru -","- C32 H36 Cl N3 Ru -","- C64 H72 Cl2 N6 Ru2 -","2","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0531","0.0378","","","0.1032","0.1299","","","","","","1.203","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327740","14.4275","0.0013","14.3557","0.0013","30.288","0.003","90","","90.809","0.007","90","","6272.5","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H42 Cl N3 Ru -","- C35 H42 Cl N3 Ru -","- C280 H336 Cl8 N24 Ru8 -","8","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0793","0.0532","","","0.1345","0.1599","","","","","","1.124","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327741","8.39499","0.00019","13.1183","0.0003","26.1858","0.0008","90","","90","","90","","2883.79","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N6 Ru -","- C32 H36 N6 Ru -","- C128 H144 N24 Ru4 -","4","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0454","0.0357","","","0.0803","0.0831","","","","","","0.974","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327742","9.1199","0.0002","17.675","0.0006","18.9166","0.0005","90","","90","","90","","3049.25","0.15","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N6 O3 Ru -","- C32 H36 N6 O3 Ru -","- C128 H144 N24 O12 Ru4 -","4","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0453","0.0331","","","0.0532","0.0554","","","","","","0.865","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327743","32.39","0.005","13.2154","0.0009","25.888","0.004","90","","136.05","0.03","90","","7691","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H92 N12 O9 Ru2 -","- C80 H92 N12 O9 Ru2 -","- C320 H368 N48 O36 Ru8 -","4","0.5","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0507","0.0394","","","0.0918","0.0977","","","","","","1.031","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327744","10.277","0.005","11.06","0.005","16.638","0.005","70.932","0.005","77.569","0.005","82.911","0.005","1742.6","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N6 O4 Ru -","- C38 H42 N6 O3.99 Ru -","- C76 H84 N12 O7.98 Ru2 -","2","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.079","0.0503","","","0.1391","0.168","","","","","","1.142","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327745","16.831","0.004","10.7496","0.0015","7.4661","0.0014","90","","105.97","0.02","90","","1298.7","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","[C3mim][HgCl3]","1-propyl-3-methylimidazolium trixchloridomercurate(II)","","- C7 H13 Cl3 Hg N2 -","- C7 H13 Cl3 Hg N2 -","- C28 H52 Cl12 Hg4 N8 -","4","1","","Bert Mallick; Andreas Metlen; Mark Nieuwenhuyzen; Robin D. Rogers; Anja-Verena Mudring","Mercuric Ionic Liquids: [Cnmim][HgX3], Where n = 3, 4 and X = Cl, Br","Inorganic Chemistry","2012","51","","193","200","10.1021/ic201415d","","","0.71073","MoKα","","0.0869","0.0527","","","0.1193","0.128","","","","","","0.859","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327746","17.318","0.003","10.741","0.0015","7.4706","0.0013","90","","105.59","0.013","90","","1338.5","0.4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","[C4mim][HgCl3]","1-butyl-3-methylimidazolium trixchloridomercurate(II)","","- C8 H15 Cl3 Hg N2 -","- C8 H15 Cl3 Hg N2 -","- C32 H60 Cl12 Hg4 N8 -","4","1","","Bert Mallick; Andreas Metlen; Mark Nieuwenhuyzen; Robin D. Rogers; Anja-Verena Mudring","Mercuric Ionic Liquids: [Cnmim][HgX3], Where n = 3, 4 and X = Cl, Br","Inorganic Chemistry","2012","51","","193","200","10.1021/ic201415d","","","0.71073","MoKα","","0.0404","0.0347","","","0.0885","0.09","","","","","","1.036","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327747","10.2043","0.001","10.7332","0.0013","14.5796","0.0016","90","","122.472","0.007","90","","1347.2","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C3mim][HgBr3]","1-propyl-3-methylimidazolium trisbromidomercurate(II)","","- C14 H26 Br6 Hg2 N4 -","- C14 H26 Br6 Hg2 N4 -","- C28 H52 Br12 Hg4 N8 -","2","0.5","","Bert Mallick; Andreas Metlen; Mark Nieuwenhuyzen; Robin D. Rogers; Anja-Verena Mudring","Mercuric Ionic Liquids: [Cnmim][HgX3], Where n = 3, 4 and X = Cl, Br","Inorganic Chemistry","2012","51","","193","200","10.1021/ic201415d","","","0.71073","MoKα","","0.044","0.0252","","","0.0428","0.0453","","","","","","0.857","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4327748","17.093","0.003","11.0498","0.0014","7.8656","0.0012","90","","106.953","0.013","90","","1421.1","0.4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","[C4mim][HgBr3]","1-butyl-3-methylimidazolium trisbromidomercurate(II)","","- C8 H15 Br3 Hg N2 -","- C8 H15 Br3 Hg N2 -","- C32 H60 Br12 Hg4 N8 -","4","1","","Bert Mallick; Andreas Metlen; Mark Nieuwenhuyzen; Robin D. Rogers; Anja-Verena Mudring","Mercuric Ionic Liquids: [Cnmim][HgX3], Where n = 3, 4 and X = Cl, Br","Inorganic Chemistry","2012","51","","193","200","10.1021/ic201415d","","","0.71073","MoKα","","0.0606","0.0549","","","0.1645","0.1704","","","","","","1.174","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327749","8.8357","0.0011","13.0305","0.0017","19.233","0.002","90","","101.492","0.002","90","","2170","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Br N6 -","- C25 H21 Br N6 -","- C100 H84 Br4 N24 -","4","1","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.0579","0.0416","","","0.1162","0.1282","","","","","","0.975","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327750","20.542","0.002","20.542","0.002","17.928","0.002","90","","90","","120","","6551.6","1.2","153","2","153","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H72 B7 F28 Fe2 N21 -","- C81 H72 B7 F28 Fe2 N21 -","- C243 H216 B21 F84 Fe6 N63 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.0533","0.0461","","","0.1185","0.1238","","","","","","1.045","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327751","20.675","0.004","20.675","0.004","17.902","0.004","90","","90","","120","","6627","2","153","2","153","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H72 Cl7 Fe2 N21 O28 -","- C81 H72 Cl7 Fe2 N21 O28 -","- C243 H216 Cl21 Fe6 N63 O84 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.0849","0.0594","","","0.1363","0.151","","","","","","1.079","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327752","20.526","0.006","20.526","0.006","17.924","0.005","90","","90","","120","","6540","3","153","2","153","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H72 Fe2 N21 O22 S7 -","- C81 H72 Fe2 N21 O22 S7 -","- C243 H216 Fe6 N63 O66 S21 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.1174","0.0844","","","0.2171","0.2434","","","","","","1.037","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327753","26.49","0.005","26.49","0.005","23.483","0.004","90","","90","","120","","14271","5","153","2","153","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C231 H201 B6 Br Fe2 N24 -","- C231 H201 B6 Br0.34 Fe2 N24 -","- C693 H603 B18 Br1.02 Fe6 N72 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.1051","0.0556","","","0.109","0.1288","","","","","","0.979","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327754","13.563","0.012","13.563","0.012","42.74","0.04","90","","90","","120","","6809","11","153","2","153","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C75 H63 Cu2 N21 O11 -","- C75 H63 Cu2 N21 O11 -","- C225 H189 Cu6 N63 O33 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.1071","0.0656","","","0.1528","0.1684","","","","","","1.021","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327755","10.9713","0.0005","10.3512","0.0004","20.5227","0.0009","90","","103.413","0.001","90","","2267.11","0.17","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O21 P3 Sm U2 -","- C6 H8 O21 P3 Sm U2 -","- C24 H32 O84 P12 Sm4 U8 -","4","1","","Karah E. Knope; Daniel T. de Lill; Clare E. Rowland; Paula M. Cantos; Ana de Bettencourt-Dias; Christopher L. Cahill","Uranyl Sensitization of Samarium(III) Luminescence in a Two-Dimensional Coordination Polymer","Inorganic Chemistry","2012","51","","201","206","10.1021/ic201450e","","","0.71073","MoKα","","0.0638","0.0372","","","0.075","0.083","","","","","","1.011","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327756","4.503","0.0007","20.085","0.003","16.207","0.003","90","","90","","90","","1465.8","0.4","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ge6 La4 Mg5 -","- Ge6 La4 Mg5 -","- Ge24 La16 Mg20 -","4","0.5","","Pavlo Solokha; Serena De Negri; Monika Skrobanska; Adriana Saccone; Volodymyr Pavlyuk; Davide M. Proserpio","New Ternary Germanides La4Mg5Ge6 and La4Mg7Ge6: Crystal Structure and Chemical Bonding","Inorganic Chemistry","2012","51","","207","214","10.1021/ic2014732","","","0.71073","MoKα","","0.0202","0.0192","","","0.0451","0.0455","","","","","","1.071","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327757","16.878","0.003","4.4702","0.0009","12.66","0.003","90","","122.25","0.03","90","","807.8","0.4","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ge6 La4 Mg7 -","- Ge6 La4 Mg7 -","- Ge12 La8 Mg14 -","2","0.25","","Pavlo Solokha; Serena De Negri; Monika Skrobanska; Adriana Saccone; Volodymyr Pavlyuk; Davide M. Proserpio","New Ternary Germanides La4Mg5Ge6 and La4Mg7Ge6: Crystal Structure and Chemical Bonding","Inorganic Chemistry","2012","51","","207","214","10.1021/ic2014732","","","0.71073","MoKα","","0.0208","0.0186","","","0.0375","0.0381","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327758","15.8674","0.0009","9.7437","0.0006","17.1201","0.001","90","","90","","90","","2646.9","0.3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","CoAPO-CJ62","","","- C2.5 H7 Al2 Co N O12 P3 -","- C2.5 Al2 Co N O12 P3 -","- C20 Al16 Co8 N8 O96 P24 -","8","1","","Lang Shao; Yi Li; Jihong Yu; Ruren Xu","Divalent-Metal-Stabilized Aluminophosphates Exhibiting a New Zeolite Framework Topology","Inorganic Chemistry","2012","51","","225","229","10.1021/ic201515z","","","0.71073","MoKα","","0.0615","0.0489","","","0.1186","0.1245","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327759","15.896","0.003","9.7475","0.0019","17.07","0.003","90","","90","","90","","2644.9","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","ZnAPO-CJ62","","","- C2.5 H7 Al2 N O12 P3 Zn -","- C2.5 Al2 N O12 P3 Zn -","- C20 Al16 N8 O96 P24 Zn8 -","8","1","","Lang Shao; Yi Li; Jihong Yu; Ruren Xu","Divalent-Metal-Stabilized Aluminophosphates Exhibiting a New Zeolite Framework Topology","Inorganic Chemistry","2012","51","","225","229","10.1021/ic201515z","","","0.71073","MoKα","","0.0585","0.046","","","0.1136","0.1199","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327760","12.6422","0.0016","13.595","0.002","20.171","0.003","90","","90.725","0.015","90","","3466.5","0.8","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cu2 I2 N2 P2 -","- C28 H48 Cu2 I2 N2 P2 -","- C112 H192 Cu8 I8 N8 P8 -","4","1","","Zhiwei Liu; Peter I. Djurovich; Matthew T. Whited; Mark E. Thompson","Cu4I4 Clusters Supported by P^N-type Ligands: New Structures with Tunable Emission Colors","Inorganic Chemistry","2012","51","","230","236","10.1021/ic2015226","","","0.71073","MoKα","","0.0606","0.0392","","","0.0537","0.0564","","","","","","1.43","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327761","12.16","0.003","9.482","0.002","18.363","0.004","90","","109.19","0.004","90","","1999.6","0.8","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cu4 I4 N2 P2 -","- C36 H32 Cu4 I4 N2 P2 -","- C72 H64 Cu8 I8 N4 P4 -","2","0.5","","Zhiwei Liu; Peter I. Djurovich; Matthew T. Whited; Mark E. Thompson","Cu4I4 Clusters Supported by P^N-type Ligands: New Structures with Tunable Emission Colors","Inorganic Chemistry","2012","51","","230","236","10.1021/ic2015226","","","0.71073","MoKα","","0.0397","0.0304","","","0.0523","0.054","","","","","","1.34","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327762","11.0911","0.0018","9.7392","0.0016","17.769","0.003","90","","104.157","0.002","90","","1861.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cu4 I4 N2 P2 -","- C28 H48 Cu4 I4 N2 P2 -","- C56 H96 Cu8 I8 N4 P4 -","2","0.5","","Zhiwei Liu; Peter I. Djurovich; Matthew T. Whited; Mark E. Thompson","Cu4I4 Clusters Supported by P^N-type Ligands: New Structures with Tunable Emission Colors","Inorganic Chemistry","2012","51","","230","236","10.1021/ic2015226","","","0.71073","MoKα","","0.0368","0.0301","","","0.058","0.0593","","","","","","1.628","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327763","10.5492","0.0015","9.4558","0.0013","17.416","0.002","90","","100.709","0.002","90","","1707","0.4","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cu4 I4 N2 P2 -","- C24 H40 Cu4 I4 N2 P2 -","- C48 H80 Cu8 I8 N4 P4 -","2","0.5","","Zhiwei Liu; Peter I. Djurovich; Matthew T. Whited; Mark E. Thompson","Cu4I4 Clusters Supported by P^N-type Ligands: New Structures with Tunable Emission Colors","Inorganic Chemistry","2012","51","","230","236","10.1021/ic2015226","","","0.71073","MoKα","","0.0271","0.0231","","","0.041","0.0419","","","","","","1.461","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327764","9.6249","0.0004","19.2866","0.0009","22.531","0.001","90","","90","","90","","4182.5","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H56 Cu4 I4 N2 P2 -","- C36 H56 Cu4 I4 N2 P2 -","- C144 H224 Cu16 I16 N8 P8 -","4","0.5","","Zhiwei Liu; Peter I. Djurovich; Matthew T. Whited; Mark E. Thompson","Cu4I4 Clusters Supported by P^N-type Ligands: New Structures with Tunable Emission Colors","Inorganic Chemistry","2012","51","","230","236","10.1021/ic2015226","","","0.71073","MoKα","","0.0565","0.0416","","","0.0662","0.0678","","","","","","1.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327765","9.415","0.005","10.018","0.006","10.21","0.006","69.313","0.008","66.662","0.008","62.806","0.007","768.8","0.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cu4 I4 N2 P2 -","- C20 H32 Cu4 I4 N2 P2 -","- C20 H32 Cu4 I4 N2 P2 -","1","0.5","","Zhiwei Liu; Peter I. Djurovich; Matthew T. Whited; Mark E. Thompson","Cu4I4 Clusters Supported by P^N-type Ligands: New Structures with Tunable Emission Colors","Inorganic Chemistry","2012","51","","230","236","10.1021/ic2015226","","","0.71073","MoKα","","0.0368","0.033","","","0.078","0.0795","","","","","","1.435","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327766","14.545","0.003","6.432","0.002","11.973","0.002","90","","93.11","0.02","90","","1118.5","0.5","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","tris(tetrazol-1-ylmethyl)methane","","- C7 H10 N12 -","- C7 H10 N12 -","- C28 H40 N48 -","4","2","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0431","0.0345","","","0.0794","0.083","","","","","","1","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327767","10.159","0.003","10.159","0.003","8.247","0.002","90","","90","","120","","737.1","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B1.998 F7.992 Fe N24 -","- C14 H20 B1.998 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0423","0.0316","","","0.0753","0.0786","","","","","","1.037","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327768","10.14","0.002","10.14","0.002","8.222","0.004","90","","90","","120","","732.1","0.4","225","2","225","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0549","0.0367","","","0.0791","0.0847","","","","","","1.043","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327769","10.115","0.003","10.115","0.003","8.202","0.003","90","","90","","120","","726.7","0.4","195","2","195","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0484","0.034","","","0.0715","0.0756","","","","","","1.07","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327770","9.982","0.003","9.982","0.003","8.161","0.002","90","","90","","120","","704.2","0.3","190","2","190","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2.002 F8.016 Fe N24 -","- C14 H20 B2.002 F8.016 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0638","0.0374","","","0.0796","0.0854","","","","","","1.035","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327771","9.967","0.003","9.967","0.003","8.148","0.002","90","","90","","120","","701","0.3","185","2","185","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B1.998 F7.992 Fe N24 -","- C14 H20 B1.998 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0437","0.032","","","0.0624","0.065","","","","","","1.084","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327772","9.944","0.003","9.944","0.003","8.126","0.002","90","","90","","120","","695.9","0.3","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2 F7.94 Fe N24 -","- C14 H20 B2 F7.94 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0404","0.0307","","","0.0626","0.0653","","","","","","1.09","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327773","10.146","0.003","10.146","0.003","8.23","0.002","90","","90","","120","","733.7","0.4","225","2","225","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0391","0.0297","","","0.0656","0.0687","","","","","","1.043","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327774","10.064","0.003","10.064","0.003","8.454","0.003","90","","90","","120","","741.5","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.063","0.0346","","","0.0715","0.0792","","","","","","0.91","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327775","10.057","0.003","10.057","0.003","8.446","0.004","90","","90","","120","","739.8","0.5","230","2","230","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0548","0.0314","","","0.0719","0.0792","","","","","","0.984","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327776","10.022","0.003","10.022","0.003","8.429","0.002","90","","90","","120","","733.2","0.4","185","2","185","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0636","0.0345","","","0.0718","0.08","","","","","","0.999","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327777","9.917","0.003","9.917","0.003","8.372","0.002","90","","90","","120","","713.1","0.3","155","2","155","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl2.002 Fe N24 O8.016 -","- C14 H20 Cl2.002 Fe N24 O8.016 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0416","0.028","","","0.066","0.0701","","","","","","1.028","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327778","9.891","0.002","9.891","0.002","8.352","0.003","90","","90","","120","","707.6","0.3","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl2.0002 Fe N24 O8.0016 -","- C14 H20 Cl2.0002 Fe N24 O8.0016 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0409","0.0292","","","0.068","0.0712","","","","","","1.032","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327779","11.354","0.0002","21.2909","0.0006","9.953","0.0002","90","","90","","90","","2406.01","0.09","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C18 H40 Cu2 N6 -","- C18 H40 Cu2 N6 -","- C72 H160 Cu8 N24 -","4","0.5","","Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson","Multinuclear Copper(I) Guanidinate Complexes","Inorganic Chemistry","2012","51","","246","257","10.1021/ic201602m","","","0.71073","MoKα","","0.0376","0.0309","","","0.0746","0.0776","","","","","","1.05","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327780","10.415","0.0003","11.39","0.0003","16.051","0.0004","97.087","0.002","107.597","0.001","112.555","0.001","1613.02","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H56 Cu2 N6 -","- C30 H56 Cu2 N6 -","- C60 H112 Cu4 N12 -","2","1","","Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson","Multinuclear Copper(I) Guanidinate Complexes","Inorganic Chemistry","2012","51","","246","257","10.1021/ic201602m","","","0.71073","MoKα","","0.1035","0.0479","","","0.0945","0.1148","","","","","","0.985","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327781","16.08","0.0002","15.851","0.0002","22.424","0.0003","90","","109.363","0.001","90","","5392.23","0.12","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Li2 N6 -","- C22 H48 Li2 N6 -","- C176 H384 Li16 N48 -","8","1","","Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson","Multinuclear Copper(I) Guanidinate Complexes","Inorganic Chemistry","2012","51","","246","257","10.1021/ic201602m","","","0.71073","MoKα","","0.0571","0.0451","","","0.1181","0.1268","","","","","","1.051","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327782","13.634","0.0001","15.671","0.0002","14.852","0.0002","90","","94.945","0.001","90","","3161.44","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cu3 N7 -","- C24 H54 Cu3 N7 -","- C96 H216 Cu12 N28 -","4","1","","Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson","Multinuclear Copper(I) Guanidinate Complexes","Inorganic Chemistry","2012","51","","246","257","10.1021/ic201602m","","","0.71073","MoKα","","0.0403","0.0291","","","0.0659","0.071","","","","","","1.039","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327783","10.215","0.002","10.644","0.002","14.732","0.003","103.876","0.001","107.091","0.001","98.077","0.001","1447.4","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H48 Cl Cu3 N6 -","- C22 H48 Cl Cu3 N6 -","- C44 H96 Cl2 Cu6 N12 -","2","1","","Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson","Multinuclear Copper(I) Guanidinate Complexes","Inorganic Chemistry","2012","51","","246","257","10.1021/ic201602m","","","0.71073","MoKα","","0.0364","0.0308","","","0.0758","0.0788","","","","","","1.1","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327784","13.16","0.0001","20.754","0.0002","38.173","0.0003","90","","92.73","0.002","90","","10414.1","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 Li2 N6 -","- C54 H80 Li2 N6 -","- C432 H640 Li16 N48 -","8","2","","Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson","Multinuclear Copper(I) Guanidinate Complexes","Inorganic Chemistry","2012","51","","246","257","10.1021/ic201602m","","","0.71073","MoKα","","0.1151","0.0575","","","0.1214","0.1445","","","","","","1.018","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327785","11.538","0.001","15.288","0.002","15.74","0.002","90","","90","","90.23","0.02","2776.4","0.6","295","","295","","","","","","","","","2","A 1 1 2","A 2","5","Holmium polysulfide","Holmium polysulfide","","- Ho6 S11.091 -","- Ho6 S11.095 -","- Ho48 S88.76 -","8","2","","Thomas Doert; Christian Graf; Inga G. Vasilyeva; Walter Schnelle","Structural Frustration and Occupational Disorder: The Rare Earth Metal Polysulfides Tb8S14.8, Dy8S14.9, Ho8S14.9, and Y8S14.8","Inorganic Chemistry","2012","51","","282","289","10.1021/ic201639f","","","0.71073","MoKα","","0.066","0.0355","","","0.0678","0.0727","","","","1.53","1.53","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327786","11.505","0.001","15.386","0.002","15.727","0.002","90","","90","","90.21","0.02","2783.9","0.6","295","","295","","","","","","","","","2","A 1 1 2","A 2","5","Ytterbium polysulfide","Ytterbium polysulfide","","- S11.048 Y6 -","- S11.029 Y6 -","- S88.232 Y48 -","8","2","","Thomas Doert; Christian Graf; Inga G. Vasilyeva; Walter Schnelle","Structural Frustration and Occupational Disorder: The Rare Earth Metal Polysulfides Tb8S14.8, Dy8S14.9, Ho8S14.9, and Y8S14.8","Inorganic Chemistry","2012","51","","282","289","10.1021/ic201639f","","","0.71073","MoKα","","0.0827","0.0563","","","0.1104","0.116","","","","2.43","2.43","2.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327787","11.66","0.001","15.468","0.002","15.844","0.002","90","","90","","90.19","0.02","2857.6","0.6","295","","295","","","","","","","","","2","A 1 1 2","A 2","5","Terbium polysulfide","Terbium polysulfide","","- S10.945 Tb6 -","- S10.9845 Tb6 -","- S87.876 Tb48 -","8","2","","Thomas Doert; Christian Graf; Inga G. Vasilyeva; Walter Schnelle","Structural Frustration and Occupational Disorder: The Rare Earth Metal Polysulfides Tb8S14.8, Dy8S14.9, Ho8S14.9, and Y8S14.8","Inorganic Chemistry","2012","51","","282","289","10.1021/ic201639f","","","0.71073","MoKα","","0.0483","0.0394","","","0.0967","0.0996","","","","1.53","1.53","1.35","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327788","11.584","0.001","15.4","0.002","15.789","0.002","90","","90","","90.34","0.02","2816.6","0.6","295","","295","","","","","","","","","2","A 1 1 2","A 2","5","Dysprosium polysulfide","Dysprosium polysulfide","","- Dy6 S11.144 -","- Dy6 S11.15 -","- Dy48 S89.2 -","8","2","","Thomas Doert; Christian Graf; Inga G. Vasilyeva; Walter Schnelle","Structural Frustration and Occupational Disorder: The Rare Earth Metal Polysulfides Tb8S14.8, Dy8S14.9, Ho8S14.9, and Y8S14.8","Inorganic Chemistry","2012","51","","282","289","10.1021/ic201639f","","","0.71073","MoKα","","0.0438","0.0264","","","0.0538","0.0606","","","","1.3","1.3","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327789","15.0886","0.0015","14.5869","0.0014","24.889","0.002","90","","102.859","0.002","90","","5340.6","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N28 O41 U2 -","- C30 H30 N28 O41 U2 -","- C120 H120 N112 O164 U8 -","4","0.5","","S. Kushwaha; Srinivas A. Rao; Padmaja P. Sudhakar","Fluorescent Uranyl Ion Lidded Cucurbit[5]uril Capsule","Inorganic Chemistry","2012","51","","267","273","10.1021/ic201641g","","","0.71073","MoKα","","0.0395","0.0349","","","0.0957","0.0992","","","","","","1.028","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327790","24.476","0.005","9.954","0.002","18.156","0.004","90","","90","","90","","4423.4","1.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","C8H14[OSSO]Ti(OiPr)2","C8H14[OSSO]Ti(OiPr)2","","- C44 H72 O4 S2 Ti -","- C44 H72 O4 S2 Ti -","- C176 H288 O16 S8 Ti4 -","4","1","","Norio Nakata; Tomoyuki Toda; Tsukasa Matsuo; Akihiko Ishii","Titanium Complexes Supported by an [OSSO]-Type Bis(phenolato) Ligand Based on a trans-Cyclooctanediyl Platform: Synthesis, Structures, and 1-Hexene Polymerization","Inorganic Chemistry","2012","51","","274","281","10.1021/ic2016484","","","0.71075","MoKα","","0.0558","0.05","","","0.1194","0.1241","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327791","27.067","0.004","18.036","0.003","17.145","0.003","90","","93.44","0.002","90","","8355","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[C8H14[OSSO]Ti(u-Cl)]2","[C8H14[OSSO]Ti(u-Cl)]2","","- C82 H130 Cl2 O4 S4 Ti2 -","- C82 H130 Cl2 O4 S4 Ti2 -","- C328 H520 Cl8 O16 S16 Ti8 -","4","0.5","","Norio Nakata; Tomoyuki Toda; Tsukasa Matsuo; Akihiko Ishii","Titanium Complexes Supported by an [OSSO]-Type Bis(phenolato) Ligand Based on a trans-Cyclooctanediyl Platform: Synthesis, Structures, and 1-Hexene Polymerization","Inorganic Chemistry","2012","51","","274","281","10.1021/ic2016484","","","0.71075","MoKα","","0.0703","0.0569","","","0.115","0.1224","","","","","","1.094","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327792","9.67","0.004","14.572","0.007","17.708","0.009","108.357","0.004","102.91","0.009","93.858","0.005","2282.7","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","{C8H14[OSSO]Ti(NEt2)2}2","{C8H14[OSSO]Ti(NEt2)2}2","","- C92 H156 N4 O4 S4 Ti2 -","- C92 H156 N4 O4 S4 Ti2 -","- C92 H156 N4 O4 S4 Ti2 -","1","0.5","","Norio Nakata; Tomoyuki Toda; Tsukasa Matsuo; Akihiko Ishii","Titanium Complexes Supported by an [OSSO]-Type Bis(phenolato) Ligand Based on a trans-Cyclooctanediyl Platform: Synthesis, Structures, and 1-Hexene Polymerization","Inorganic Chemistry","2012","51","","274","281","10.1021/ic2016484","","","0.71075","MoKα","","0.1605","0.0728","","","0.1126","0.1378","","","","","","1.067","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327793","12.3286","0.001","15.4227","0.0012","18.341","0.0016","106.958","0.012","95.635","0.013","91.026","0.013","3315.6","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H82 F6 Ir N6 -","- C75.74 H73.25 F6 Ir N6 -","- C151.48 H146.5 F12 Ir2 N12 -","2","1","","Yonghao Zheng; Andrei S. Batsanov; Robert M. Edkins; Andrew Beeby; Martin R. Bryce","Thermally Induced Defluorination during a mer to fac Transformation of a Blue-Green Phosphorescent Cyclometalated Iridium(III) Complex","Inorganic Chemistry","2012","51","","290","297","10.1021/ic201655n","","","0.71073","MoKα","","0.077","0.0493","","","0.1073","0.1167","","","","","","0.946","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327794","20.31","0.007","9.335","0.003","28.613","0.008","90","","101.138","0.009","90","","5323","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Fe2 N4 -","- C34 H32 Fe2 N4 -","- C272 H256 Fe16 N32 -","8","1","","Rampal Pandey; Rakesh Kumar Gupta; Mohammad Shahid; Biswajit Maiti; Arvind Misra; Daya Shankar Pandey","Synthesis and Characterization of Electroactive Ferrocene Derivatives: Ferrocenylimidazoquinazoline as a Multichannel Chemosensor Selectively for Hg2+ and Pb2+ Ions in an Aqueous Environment","Inorganic Chemistry","2012","51","","298","311","10.1021/ic201663m","","","0.71073","MoKα","","0.1033","0.0691","","","0.1661","0.2262","","","","","","1.298","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327795","18.7719","0.0004","5.8849","0.0001","12.4887","0.0002","90","","90","","90","","1379.64","0.04","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H16 Fe N2 -","- C17 H16 Fe N2 -","- C68 H64 Fe4 N8 -","4","1","","Rampal Pandey; Rakesh Kumar Gupta; Mohammad Shahid; Biswajit Maiti; Arvind Misra; Daya Shankar Pandey","Synthesis and Characterization of Electroactive Ferrocene Derivatives: Ferrocenylimidazoquinazoline as a Multichannel Chemosensor Selectively for Hg2+ and Pb2+ Ions in an Aqueous Environment","Inorganic Chemistry","2012","51","","298","311","10.1021/ic201663m","","","0.71073","MoKα","","0.0233","0.0226","","","0.0587","0.0591","","","","","","0.838","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327796","11.481","0.002","13.352","0.002","12.126","0.002","90","","104.349","0.003","90","","1800.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Fe N3 -","- C24 H19 Fe N3 -","- C96 H76 Fe4 N12 -","4","1","","Rampal Pandey; Rakesh Kumar Gupta; Mohammad Shahid; Biswajit Maiti; Arvind Misra; Daya Shankar Pandey","Synthesis and Characterization of Electroactive Ferrocene Derivatives: Ferrocenylimidazoquinazoline as a Multichannel Chemosensor Selectively for Hg2+ and Pb2+ Ions in an Aqueous Environment","Inorganic Chemistry","2012","51","","298","311","10.1021/ic201663m","","","0.71073","MoKα","","0.0856","0.0803","","","0.213","0.216","","","","","","1.344","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327797","11.3145","0.0013","11.7552","0.0015","17.525","0.002","90","","90","","90","","2330.9","0.5","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C112 H96 N32 -","8","1","","Stephan Roeser; Mehmed Z. Ertem; Clyde Cady; Rainer Lomoth; Jordi Benet-Buchholz; Leif Hammarström; Biprajit Sarkar; Wolfgang Kaim; Christopher J. Cramer; Antoni Llobet","Synthesis, Structure, and Electronic Properties of RuN6 Dinuclear Ru-Hbpp Complexes","Inorganic Chemistry","2012","51","","320","327","10.1021/ic201668r","","","0.71073","MoKα","","0.0888","0.0689","","","0.1832","0.2014","","","","","","1.029","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327798","21.2053","0.0008","19.3054","0.0008","11.9311","0.0004","90","","112.614","0.002","90","","4508.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H33 Cl F12 N10 P2 Ru2 -","- C44 H33 Cl F12 N10 P2 Ru2 -","- C176 H132 Cl4 F48 N40 P8 Ru8 -","4","0.5","","Stephan Roeser; Mehmed Z. Ertem; Clyde Cady; Rainer Lomoth; Jordi Benet-Buchholz; Leif Hammarström; Biprajit Sarkar; Wolfgang Kaim; Christopher J. Cramer; Antoni Llobet","Synthesis, Structure, and Electronic Properties of RuN6 Dinuclear Ru-Hbpp Complexes","Inorganic Chemistry","2012","51","","320","327","10.1021/ic201668r","","","0.71073","MoKα","","0.1095","0.072","","","0.1737","0.2065","","","","","","1.028","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327799","19.0959","0.001","24.7261","0.0013","21.3226","0.0013","90","","100.155","0.003","90","","9910.1","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C94 H71 Cl2 F24 N26 O4 P4 Ru4 -","- C94 H71 Cl2 F24 N26 O4 P4 Ru4 -","- C376 H284 Cl8 F96 N104 O16 P16 Ru16 -","4","1","","Stephan Roeser; Mehmed Z. Ertem; Clyde Cady; Rainer Lomoth; Jordi Benet-Buchholz; Leif Hammarström; Biprajit Sarkar; Wolfgang Kaim; Christopher J. Cramer; Antoni Llobet","Synthesis, Structure, and Electronic Properties of RuN6 Dinuclear Ru-Hbpp Complexes","Inorganic Chemistry","2012","51","","320","327","10.1021/ic201668r","","","0.71073","MoKα","","0.1485","0.0955","","","0.2323","0.2707","","","","","","1.101","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327800","12.1496","0.0007","36.76","0.003","12.3522","0.0006","90","","99.699","0.002","90","","5437.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H39 F18 N14 O2 P3 Ru2 -","- C49 H39 F18 N14 O2 P3 Ru2 -","- C196 H156 F72 N56 O8 P12 Ru8 -","4","1","","Stephan Roeser; Mehmed Z. Ertem; Clyde Cady; Rainer Lomoth; Jordi Benet-Buchholz; Leif Hammarström; Biprajit Sarkar; Wolfgang Kaim; Christopher J. Cramer; Antoni Llobet","Synthesis, Structure, and Electronic Properties of RuN6 Dinuclear Ru-Hbpp Complexes","Inorganic Chemistry","2012","51","","320","327","10.1021/ic201668r","","","0.71073","MoKα","","0.0629","0.0459","","","0.0984","0.1057","","","","","","1.051","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327801","9.933","0.002","8.1985","0.0017","21.041","0.004","90","","91.302","0.003","90","","1713","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Potassium neptunium(V) borate","","","- B10 K Np O20 -","- B10 K Np O20 -","- B40 K4 Np4 O80 -","4","1","","Shuao Wang; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","New Neptunium(V) Borates That Exhibit the Alexandrite Effect","Inorganic Chemistry","2012","51","","7","9","10.1021/ic201682s","","","0.71073","MoKα","","0.0603","0.0511","","","0.1142","0.1179","","","","","","1.217","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327802","32.831","0.002","17.1862","0.0011","29.3246","0.0018","90","","110.427","0.001","90","","15505.7","1.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 Cl10 Hg2 N10 O5 -","- C75 H72 Cl10 Hg2 N10 O5 -","- C600 H576 Cl80 Hg16 N80 O40 -","8","1","","Sukdeb Saha; Prasenjit Mahato; Upendar Reddy G; E. Suresh; Arindam Chakrabarty; Mithu Baidya; Sudip K. Ghosh; Amitava Das","Recognition of Hg2+ and Cr3+ in Physiological Conditions by a Rhodamine Derivative and Its Application as a Reagent for Cell-Imaging Studies","Inorganic Chemistry","2012","51","","336","345","10.1021/ic2017243","","","0.71073","MoKα","","0.0469","0.038","","","0.0996","0.1035","","","","","","1.018","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327803","38.4292","0.0017","9.4617","0.0004","19.7407","0.0009","90","","105.358","0.001","90","","6921.5","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Hg I2 N5 O2 -","- C36 H33 Hg I2 N5 O2 -","- C288 H264 Hg8 I16 N40 O16 -","8","1","","Sukdeb Saha; Prasenjit Mahato; Upendar Reddy G; E. Suresh; Arindam Chakrabarty; Mithu Baidya; Sudip K. Ghosh; Amitava Das","Recognition of Hg2+ and Cr3+ in Physiological Conditions by a Rhodamine Derivative and Its Application as a Reagent for Cell-Imaging Studies","Inorganic Chemistry","2012","51","","336","345","10.1021/ic2017243","","","0.71073","MoKα","","0.034","0.0289","","","0.0813","0.0991","","","","","","1.145","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327804","16.9861","0.0015","17.2304","0.0017","22.451","0.003","78.773","0.001","81.93","0.002","75.351","0.001","6206.8","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H62 Au4 Cl6 N4 P4 -","- C81 H62 Au4 Cl6 N4 P4 -","- C243 H186 Au12 Cl18 N12 P12 -","3","1.5","","Xiu-Ling Li; Ming Tan; Ke-Juan Zhang; Bo Yang; Jie Chen; Yu-Bo Ai","Dual Luminescent Tetranuclear Organogold(I) Macrocycles of 5,5'-Diethynyl-2,2'-bipyridine and Their Efficient Sensitization of Yb(III) Luminescence","Inorganic Chemistry","2012","51","","109","118","10.1021/ic201741h","","","0.71073","MoKα","","0.2296","0.096","","","0.1989","0.2594","","","","","","0.965","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327805","23.013","0.005","22.507","0.005","21.968","0.004","90","","117.79","0.03","90","","10066","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H92 Au4 Cl4 N6 O2 P4 -","- C102 H92 Au4 Cl4 N6 O2 P4 -","- C408 H368 Au16 Cl16 N24 O8 P16 -","4","0.5","","Xiu-Ling Li; Ming Tan; Ke-Juan Zhang; Bo Yang; Jie Chen; Yu-Bo Ai","Dual Luminescent Tetranuclear Organogold(I) Macrocycles of 5,5'-Diethynyl-2,2'-bipyridine and Their Efficient Sensitization of Yb(III) Luminescence","Inorganic Chemistry","2012","51","","109","118","10.1021/ic201741h","","","0.71073","MoKα","","0.1162","0.0785","","","0.172","0.1947","","","","","","1.096","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327806","10.7483","0.0012","10.1557","0.0011","25.331","0.003","90","","92.713","0.002","90","","2761.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O4 S2 W -","- C10 H10 N2 O4 S2 W -","- C80 H80 N16 O32 S16 W8 -","8","2","","Yong Yan; Perumalreddy Chandrasekaran; Joel T. Mague; Serena DeBeer; Stephen Sproules; James P. Donahue","Redox-Controlled Interconversion between Trigonal Prismatic and Octahedral Geometries in a Monodithiolene Tetracarbonyl Complex of Tungsten","Inorganic Chemistry","2012","51","","346","361","10.1021/ic201748v","","","0.71073","MoKα","","0.0223","0.0186","","","0.0388","0.0401","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4327807","23.888","0.003","9.4759","0.0009","17.056","0.002","90","","92.546","0.004","90","","3857","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H55 N5 O3 Zr -","- C34 H55 N5 O3 Zr -","- C136 H220 N20 O12 Zr4 -","4","1","","Luis G. Alves; Ana M. Martins","Cyclam Functionalization through Isocyanate Insertion in Zr-N Bonds","Inorganic Chemistry","2012","51","","10","12","10.1021/ic201750y","","","0.71073","MoKα","","0.0839","0.0507","","","0.1167","0.1268","","","","","","0.975","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327808","8.895","0.004","9.066","0.004","19.779","0.008","95.37","0.03","99.61","0.02","108.22","0.02","1475.6","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 N4 O2 Zr -","- C30 H48 N4 O2 Zr -","- C60 H96 N8 O4 Zr2 -","2","1","","Luis G. Alves; Ana M. Martins","Cyclam Functionalization through Isocyanate Insertion in Zr-N Bonds","Inorganic Chemistry","2012","51","","10","12","10.1021/ic201750y","","","0.71073","MoKα","","0.1303","0.0633","","","0.0959","0.1112","","","","","","0.922","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327809","8.785","0.003","17.013","0.008","4.249","0.001","90","","90","","90","","635.1","0.4","293","2","293","2","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- Ba2 S3 Zn -","- Ba2 S3 Zn -","- Ba8 S12 Zn4 -","4","0.5","","Francesco Mezzadri; Edmondo Gilioli; Gianluca Calestani; Andrea Migliori; Mark R. Harrison; David A. Headspith; M. Grazia Francesconi","Using High Pressure to Prepare Polymorphs of the Ba2Co1-xZnxS3 (0 <= x <= 1.0) Compounds","Inorganic Chemistry","2012","51","","397","404","10.1021/ic201773e","","","0.71073","MoKα","","0.079","0.0369","","","0.0578","0.0638","","","","","","0.825","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327810","4.564","0.001","4.564","0.001","8.938","0.001","90","","90","","90","","186.18","0.06","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ba Co S2 -","- Ba Co S2 -","- Ba2 Co2 S4 -","2","0.125","","Francesco Mezzadri; Edmondo Gilioli; Gianluca Calestani; Andrea Migliori; Mark R. Harrison; David A. Headspith; M. Grazia Francesconi","Using High Pressure to Prepare Polymorphs of the Ba2Co1-xZnxS3 (0 <= x <= 1.0) Compounds","Inorganic Chemistry","2012","51","","397","404","10.1021/ic201773e","","","0.71073","MoKα","","0.0143","0.0114","","","0.0252","0.0263","","","","","","1.142","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327811","8.7577","0.0008","16.9725","0.0015","4.2528","0.0004","90","","90","","90","","632.14","0.1","293","2","293","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ba2 Co0.38 S3 Zn0.62 -","- Ba2 Co0.38 S3 Zn0.62 -","- Ba8 Co1.52 S12 Zn2.48 -","4","0.5","","Francesco Mezzadri; Edmondo Gilioli; Gianluca Calestani; Andrea Migliori; Mark R. Harrison; David A. Headspith; M. Grazia Francesconi","Using High Pressure to Prepare Polymorphs of the Ba2Co1-xZnxS3 (0 <= x <= 1.0) Compounds","Inorganic Chemistry","2012","51","","397","404","10.1021/ic201773e","","","0.71073","MoKα","","0.0559","0.0369","","","0.0675","0.0729","","","","","","1.018","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327812","13.1472","0.0004","7.1208","0.0003","11.6303","0.0004","90","","102.606","0.002","90","","1062.57","0.07","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Hg N2 S2 -","- C8 H12 Hg N2 S2 -","- C32 H48 Hg4 N8 S8 -","4","0.5","","Dayna L. Turner; Kevin H. Stone; Peter W. Stephens; Aron Walsh; Mayank Pratap Singh; Thomas P. Vaid","Synthesis, Characterization, and Calculated Electronic Structure of the Crystalline Metal-Organic Polymers [Hg(SC6H4S)(en)]n and [Pb(SC6H4S)(dien)]n","Inorganic Chemistry","2012","51","","370","376","10.1021/ic201779a","powder diffraction","","0.700142","synchrotron","","","","","","","","","2.615","1.31","","","","","","","has coordinates,has Fobs","179381","2020-10-21","18:00:00",""
"4327813","7.3106","0.0003","10.2825","0.0004","10.2809","0.0004","61.186","0.003","86.117","0.003","86.053","0.003","675.01","0.05","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 N3 Pb S2 -","- C10 H17 N3 Pb S2 -","- C20 H34 N6 Pb2 S4 -","2","1","","Dayna L. Turner; Kevin H. Stone; Peter W. Stephens; Aron Walsh; Mayank Pratap Singh; Thomas P. Vaid","Synthesis, Characterization, and Calculated Electronic Structure of the Crystalline Metal-Organic Polymers [Hg(SC6H4S)(en)]n and [Pb(SC6H4S)(dien)]n","Inorganic Chemistry","2012","51","","370","376","10.1021/ic201779a","powder diffraction","","0.69702","synchrotron","","","","","","","","","1.872","1.746","","","","","","","has coordinates,has Fobs","179381","2020-10-21","18:00:00",""
"4327814","11.161","0.0007","14.8168","0.001","15.928","0.0011","95.336","0.005","101.305","0.005","110.023","0.005","2389.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 Br6 Co2 Fe2 N10 O16 -","- C96 H88 Br6 Co2 Fe2 N10 O16 -","- C96 H88 Br6 Co2 Fe2 N10 O16 -","1","0.5","","Eduard N. Chygorin; Oksana V. Nesterova; Julia A. Rusanova; Vladimir N. Kokozay; Volodymyr V. Bon; Roman Boča; Andrew Ozarowski","Novel Heterometallic Schiff Base Complexes Featuring Unusual Tetranuclear {CoIII2FeIII2(μ-O)6} and Octanuclear {CoIII4FeIII4(μ-O)14} Cores: Direct Synthesis, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","386","396","10.1021/ic2017962","","","0.71073","MoKα","","0.2435","0.0869","","","0.1521","0.1936","","","","","","0.885","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327815","16.2029","0.0005","16.9908","0.0005","18.0633","0.0005","113.302","0.002","100.481","0.002","90.571","0.002","4472.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H208 Co4 Fe4 N16 O68 S20 -","- C128 H204 Co4 Fe4 N16 O68 S20 -","- C128 H204 Co4 Fe4 N16 O68 S20 -","1","0.5","","Eduard N. Chygorin; Oksana V. Nesterova; Julia A. Rusanova; Vladimir N. Kokozay; Volodymyr V. Bon; Roman Boča; Andrew Ozarowski","Novel Heterometallic Schiff Base Complexes Featuring Unusual Tetranuclear {CoIII2FeIII2(μ-O)6} and Octanuclear {CoIII4FeIII4(μ-O)14} Cores: Direct Synthesis, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","386","396","10.1021/ic2017962","","","0.71073","MoKα","","0.2008","0.0918","","","0.2503","0.3297","","","","","","1.041","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327816","16.1147","0.0012","16.7364","0.0009","8.4586","0.0005","90","","116.194","0.002","90","","2047","0.2","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H20 Gd2 O13 -","- C12 H20 Gd2 O13 -","- C48 H80 Gd8 O52 -","4","1","","Fu-Sheng Guo; Ji-Dong Leng; Jun-Liang Liu; Zhao-Sha Meng; Ming-Liang Tong","Polynuclear and Polymeric Gadolinium Acetate Derivatives with Large Magnetocaloric Effect","Inorganic Chemistry","2012","51","","405","413","10.1021/ic2018314","","","0.71073","MoKα","","0.0698","0.0424","","","0.0868","0.1179","","","","","","1.144","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327817","10.2572","0.0007","11.9092","0.0009","13.7512","0.0008","97.53","0.002","99.024","0.002","112.257","0.002","1501.68","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H58 Gd2 O14 -","- C66 H58 Gd2 O14 -","- C66 H58 Gd2 O14 -","1","0.5","","Fu-Sheng Guo; Ji-Dong Leng; Jun-Liang Liu; Zhao-Sha Meng; Ming-Liang Tong","Polynuclear and Polymeric Gadolinium Acetate Derivatives with Large Magnetocaloric Effect","Inorganic Chemistry","2012","51","","405","413","10.1021/ic2018314","","","0.71073","MoKα","","0.098","0.039","","","0.0655","0.0972","","","","","","1.135","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327818","11.6327","0.0003","11.7971","0.0004","13.6862","0.0003","106.643","0.001","113.051","0.001","102.055","0.001","1542.17","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H76 Gd4 O28 -","- C48 H76 Gd4 O28 -","- C48 H76 Gd4 O28 -","1","0.5","","Fu-Sheng Guo; Ji-Dong Leng; Jun-Liang Liu; Zhao-Sha Meng; Ming-Liang Tong","Polynuclear and Polymeric Gadolinium Acetate Derivatives with Large Magnetocaloric Effect","Inorganic Chemistry","2012","51","","405","413","10.1021/ic2018314","","","0.71073","MoKα","","0.0301","0.0234","","","0.0483","0.0504","","","","","","1.048","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327819","12.1092","0.0005","12.179","0.0004","7.6817","0.0003","90","","90.637","0.002","90","","1132.81","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Gd O7 -","- C7 H13 Gd O7 -","- C28 H52 Gd4 O28 -","4","1","","Fu-Sheng Guo; Ji-Dong Leng; Jun-Liang Liu; Zhao-Sha Meng; Ming-Liang Tong","Polynuclear and Polymeric Gadolinium Acetate Derivatives with Large Magnetocaloric Effect","Inorganic Chemistry","2012","51","","405","413","10.1021/ic2018314","","","0.71073","MoKα","","0.0361","0.0299","","","0.07","0.0754","","","","","","1.117","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327820","10.6975","0.0016","10.6975","0.0016","6.7222","0.0012","90","","90","","120","","666.2","0.18","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- B4 Bi O15 Sr3 Y3 -","- B4 Bi0.908 O15 Sr3 Y3.092 -","- B8 Bi1.816 O30 Sr6 Y6.184 -","2","0.333333","","Jianhua Gao; Shuai Li","BiSr3(YO)3(BO3)4: A New Gaudefroyite-Type Rare-Earth Borate with Moderate SHG Response","Inorganic Chemistry","2012","51","","420","424","10.1021/ic201858x","","","0.71073","MoKα","","0.0368","0.0334","","","0.0699","0.0711","","","","","","1.062","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327821","13.3468","0.0008","13.6931","0.0006","17.8206","0.0009","109.901","0.003","90.817","0.004","113.659","0.002","2761.6","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Cl N3 O5 Re -","- C26 H29 Cl N3 O5 Re -","- C104 H116 Cl4 N12 O20 Re4 -","4","2","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0658","0.0505","","","0.1144","0.1231","","","","","","1.051","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327822","9.65465","0.00021","10.41243","0.0002","17.73433","0.00035","102.48","0.001","105.703","0.001","93.887","0.001","1660.52","0.06","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 N2 O5 P Re -","- C38 H28 N2 O5 P Re -","- C76 H56 N4 O10 P2 Re2 -","2","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0265","0.0247","","","0.0678","0.0728","","","","","","1.186","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327823","25.1498","0.0005","8.3542","0.0002","17.5653","0.0012","90","","128.178","0.009","90","","2901.1","0.4","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H26 N2 O3 P Re -","- C36 H26 N2 O3 P Re -","- C144 H104 N8 O12 P4 Re4 -","4","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0241","0.023","","","0.0543","0.0559","","","","","","1.071","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327824","9.5888","0.0002","10.3564","0.0002","17.1241","0.0012","77.631","0.005","75.249","0.005","86.802","0.006","1606.3","0.13","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 N2 O4 P Re -","- C37 H28 N2 O4 P Re -","- C74 H56 N4 O8 P2 Re2 -","2","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0526","0.0409","","","0.0942","0.125","","","","","","1.14","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327825","16.966","0.003","17.746","0.004","21.892","0.004","90","","90","","90","","6591","2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 N2 O3 P Re -","- C39 H32 N2 O3 P Re -","- C312 H256 N16 O24 P8 Re8 -","8","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0541","0.0466","","","0.1286","0.1798","","","","","","1.18","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327826","9.2055","0.0002","13.6362","0.0003","16.0589","0.0011","80.409","0.006","85.95","0.006","76.312","0.005","1930.19","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H35 N3 O3 P Re -","- C48 H35 N3 O3 P Re -","- C96 H70 N6 O6 P2 Re2 -","2","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0507","0.0404","","","0.0929","0.1404","","","","","","1.256","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327827","18.6016","0.0013","11.1012","0.0006","15.5656","0.001","90","","95.693","0.007","90","","3198.4","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N2 O5 P Re -","- C32 H40 N2 O5 P Re -","- C128 H160 N8 O20 P4 Re4 -","4","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.1087","0.0818","","","0.215","0.27","","","","","","1.169","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327828","11.921","0.0005","19.9068","0.0006","21.6044","0.0015","99.761","0.007","91.342","0.006","90.08","0.006","5051.2","0.5","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H44 Cl0 N2 O4.5 P2 Re -","- C55 H43 N2 O4.5 P2 Re -","- C220 H172 N8 O18 P8 Re4 -","4","2","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.1537","0.1233","","","0.3095","0.3484","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327829","20.5988","0.0004","12.3217","0.0002","20.7201","0.0015","90","","115.665","0.008","90","","4740.2","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 N2 O2 P2 Re -","- C58 H53 N2 O2 P2 Re -","- C232 H212 N8 O8 P8 Re4 -","4","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0836","0.0656","","","0.1591","0.1985","","","","","","1.181","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327830","19.4332","0.0004","12.2647","0.0002","21.4332","0.0015","90","","108.448","0.008","90","","4845.9","0.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 Cl3 N2 O3 P2 Re -","- C55 H44 Cl3 N2 O3 P2 Re -","- C220 H176 Cl12 N8 O12 P8 Re4 -","4","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0396","0.0333","","","0.0785","0.0978","","","","","","1.141","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327831","16.4699","0.0003","13.1498","0.0002","23.44","0.0016","90","","102.342","0.007","90","","4959.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 N2 O2 P2 Re -","- C56 H47 N2 O2 P2 Re -","- C224 H188 N8 O8 P8 Re4 -","4","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0568","0.0472","","","0.1074","0.1135","","","","","","1.076","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327832","11.9337","0.0002","12.8775","0.0002","17.2623","0.0012","97.802","0.007","90.789","0.006","98.19","0.007","2600","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H50 N3 O2 P2 Re -","- C65 H50 N3 O2 P2 Re -","- C130 H100 N6 O4 P4 Re2 -","2","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0715","0.061","","","0.1343","0.1641","","","","","","1.146","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327833","12.0645","0.0002","23.9343","0.0004","15.6919","0.0011","90","","98.539","0.007","90","","4480.9","0.3","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 N2 O4 P2 Re -","- C49 H55 N2 O4 P2 Re -","- C196 H220 N8 O16 P8 Re4 -","4","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.096","0.0706","","","0.1657","0.1987","","","","","","1.107","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327834","12.449","0.005","6.861","0.002","12.916","0.005","90","","116.702","0.004","90","","985.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","VOTTDPz","vanadyl tetrakisthiadiazoleporphyrazine","","- C16 N16 O S4 V -","- C16 N16 O S4 V -","- C32 N32 O2 S8 V2 -","2","0.5","","Yasuhito Miyoshi; Kouji Takahashi; Takuya Fujimoto; Hirofumi Yoshikawa; Michio M. Matsushita; Yukio Ouchi; Mikael Kepenekian; Vincent Robert; Maria Pia Donzello; Claudio Ercolani; Kunio Awaga","Crystal Structure, Spin Polarization, Solid-State Electrochemistry, and High n-Type Carrier Mobility of a Paramagnetic Semiconductor: Vanadyl Tetrakis(thiadiazole)porphyrazine","Inorganic Chemistry","2012","51","","456","462","10.1021/ic201880g","","","0.7107","MoKα","","0.1041","0.0732","","","0.1934","0.2183","","","","","","1.073","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327835","7.0675","0.0015","22.183","0.005","24.77","0.006","90","","90","","90","","3883.4","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VOTTDPz","vanadyl tetrakisthiadiazoleporphyrazine","","- C16 N16 O S4 V -","- C16 N16 O S4 V -","- C128 N128 O8 S32 V8 -","8","1","","Yasuhito Miyoshi; Kouji Takahashi; Takuya Fujimoto; Hirofumi Yoshikawa; Michio M. Matsushita; Yukio Ouchi; Mikael Kepenekian; Vincent Robert; Maria Pia Donzello; Claudio Ercolani; Kunio Awaga","Crystal Structure, Spin Polarization, Solid-State Electrochemistry, and High n-Type Carrier Mobility of a Paramagnetic Semiconductor: Vanadyl Tetrakis(thiadiazole)porphyrazine","Inorganic Chemistry","2012","51","","456","462","10.1021/ic201880g","","","0.7107","MoKα","","0.0538","0.0488","","","0.1156","0.1194","","","","","","1.155","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327836","9.8366","0.0003","14.4429","0.0006","25.2233","0.0011","90","","90","","90","","3583.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 As Mn N7 S4 -","- C37 H30 As Mn N7 S4 -","- C148 H120 As4 Mn4 N28 S16 -","4","1","","Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang","Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator","Inorganic Chemistry","2012","51","","472","482","10.1021/ic201932z","","","0.71073","MoKα","","0.0384","0.0368","","","0.0799","0.081","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327837","9.8324","0.0003","14.4376","0.0005","25.1974","0.0008","90","","90","","90","","3576.9","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 As Mn N7 S4 -","- C37 H30 As Mn N7 S4 -","- C148 H120 As4 Mn4 N28 S16 -","4","1","","Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang","Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator","Inorganic Chemistry","2012","51","","472","482","10.1021/ic201932z","","","0.71073","MoKα","","0.026","0.0238","","","0.049","0.0498","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327838","9.7436","0.0015","20.901","0.003","8.6028","0.0011","90","","94.682","0.011","90","","1746.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(CH3NH3)2{[Mn(phen)]2(AsS4)2}","(CH3NH3)2{[Mn(phen)]2(AsS4)2}","","- C26 H28 As2 Mn2 N6 S8 -","- C26 H28 As2 Mn2 N6 S8 -","- C52 H56 As4 Mn4 N12 S16 -","2","0.5","","Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang","Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator","Inorganic Chemistry","2012","51","","472","482","10.1021/ic201932z","","","0.71073","MoKα","","0.0589","0.0408","","","0.085","0.0942","","","","","","1.004","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327839","13.3689","0.0007","7.5174","0.0004","25.3577","0.0018","90","","93.278","0.004","90","","2544.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Mn(phen)2](As2S4)}n","{[Mn(phen)2](As2S4)}n","","- C24 H16 As2 Mn N4 S4 -","- C24 H16 As2 Mn N4 S4 -","- C96 H64 As8 Mn4 N16 S16 -","4","1","","Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang","Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator","Inorganic Chemistry","2012","51","","472","482","10.1021/ic201932z","","","0.71073","MoKα","","0.0287","0.0262","","","0.0525","0.0538","","","","","","0.992","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327840","13.1316","0.0011","20.239","0.0011","15.7388","0.0014","90","","109.372","0.004","90","","3946.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 As2 Mn3 N6 O S6 -","- C36 H26 As2 Mn3 N6 O S6 -","- C144 H104 As8 Mn12 N24 O4 S24 -","4","1","","Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang","Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator","Inorganic Chemistry","2012","51","","472","482","10.1021/ic201932z","","","0.71073","MoKα","","0.0591","0.0453","","","0.108","0.1146","","","","","","1.005","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327841","12.9542","0.0017","13.5917","0.0018","15.0108","0.0015","75.349","0.009","86.827","0.009","71.791","0.01","2428.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Mn(2,2-bipy)2]2(AsS4)}[AsS(S5)]","{[Mn(2,2-bipy)2]2(AsS4)}[AsS(S5)]","","- C40 H32 As2 Mn2 N8 S10 -","- C40 H32 As2 Mn2 N8 S10 -","- C80 H64 As4 Mn4 N16 S20 -","2","1","","Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang","Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator","Inorganic Chemistry","2012","51","","472","482","10.1021/ic201932z","","","0.71073","MoKα","","0.0842","0.042","","","0.0833","0.1011","","","","","","1.006","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327842","17.19","0.0003","15.1901","0.0003","25.3382","0.0005","90","","106.581","0.001","90","","6341.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H9 Nd O8 -","- C18 H9 Nd O8 -","- C288 H144 Nd16 O128 -","16","4","","Inês Rodrigues; Ionut Mihalcea; Christophe Volkringer; Thierry Loiseau; Marc Visseaux","Water-Free Neodymium 2,6-Naphthalenedicarboxylates Coordination Complexes and Their Application as Catalysts for Isoprene Polymerization","Inorganic Chemistry","2012","51","","483","490","10.1021/ic2019346","","","0.71073","MoKα","","0.0588","0.0358","","","0.0902","0.1105","","","","","","1.103","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327843","13.0575","0.0009","13.0531","0.0009","6.9251","0.0004","90","","94.07","0.003","90","","1177.34","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 N0 Nd O6 -","- C13 H7 Nd O6 -","- C52 H28 Nd4 O24 -","4","1","","Inês Rodrigues; Ionut Mihalcea; Christophe Volkringer; Thierry Loiseau; Marc Visseaux","Water-Free Neodymium 2,6-Naphthalenedicarboxylates Coordination Complexes and Their Application as Catalysts for Isoprene Polymerization","Inorganic Chemistry","2012","51","","483","490","10.1021/ic2019346","","","0.71073","MoKα","","0.0388","0.0246","","","0.0614","0.0832","","","","","","1.172","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327844","10.7908","0.0011","8.6951","0.0009","25.475","0.002","90","","90","","90","","2390.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H6 Nd O7 -","- C13 H6 Nd O7 -","- C104 H48 Nd8 O56 -","8","1","","Inês Rodrigues; Ionut Mihalcea; Christophe Volkringer; Thierry Loiseau; Marc Visseaux","Water-Free Neodymium 2,6-Naphthalenedicarboxylates Coordination Complexes and Their Application as Catalysts for Isoprene Polymerization","Inorganic Chemistry","2012","51","","483","490","10.1021/ic2019346","","","0.71073","MoKα","","0.0492","0.0308","","","0.069","0.0981","","","","","","1.362","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327845","7.8595","0.0016","13.291","0.003","13.327","0.003","90","","90","","90","","1392.1","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H14 N3 O15 Pr -","- C4 H14 N3 O15 Pr -","- C16 H56 N12 O60 Pr4 -","4","1","","Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu","Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions","Inorganic Chemistry","2012","51","","499","510","10.1021/ic2019605","","","0.71073","MoKα","","0.0332","0.0325","","","0.0713","0.0729","","","","","","1.08","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327846","7.7827","0.0016","12.816","0.003","15.132","0.003","90","","100.37","0.03","90","","1484.7","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N3 O14 Y -","- C6 H16 N3 O14 Y -","- C24 H64 N12 O56 Y4 -","4","1","","Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu","Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions","Inorganic Chemistry","2012","51","","499","510","10.1021/ic2019605","","","0.71073","MoKα","","0.0669","0.0577","","","0.1238","0.1392","","","","","","1.323","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327847","7.8685","0.0016","13.304","0.003","13.323","0.003","90","","90","","90","","1394.7","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H14 Ce N3 O15 -","- C4 H14 Ce N3 O15 -","- C16 H56 Ce4 N12 O60 -","4","1","","Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu","Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions","Inorganic Chemistry","2012","51","","499","510","10.1021/ic2019605","","","0.71073","MoKα","","0.02","0.0199","","","0.0472","0.0473","","","","","","1.083","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327848","7.8146","0.0016","12.839","0.003","15.207","0.003","90","","100.68","0.03","90","","1499.3","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Gd N3 O14 -","- C6 H16 Gd N3 O14 -","- C24 H64 Gd4 N12 O56 -","4","1","","Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu","Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions","Inorganic Chemistry","2012","51","","499","510","10.1021/ic2019605","","","0.71073","MoKα","","0.0425","0.0379","","","0.0809","0.0835","","","","","","1.115","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327849","7.112","0.0014","8.719","0.0017","12.492","0.003","69.99","0.03","76.44","0.03","66.88","0.03","664.9","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H34 Cl6 O14 Tb2 -","- C12 H34 Cl6 O14 Tb2 -","- C12 H34 Cl6 O14 Tb2 -","1","0.5","","Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu","Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions","Inorganic Chemistry","2012","51","","499","510","10.1021/ic2019605","","","0.71073","MoKα","","0.0263","0.0257","","","0.0783","0.0787","","","","","","1.245","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327850","7.8085","0.0016","12.923","0.003","15.129","0.003","90","","101.04","0.03","90","","1498.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N3 O14 Tb -","- C6 H16 N3 O14 Tb -","- C24 H64 N12 O56 Tb4 -","4","1","","Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu","Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions","Inorganic Chemistry","2012","51","","499","510","10.1021/ic2019605","","","0.71073","MoKα","","0.1079","0.0902","","","0.2285","0.2395","","","","","","1.005","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327851","11.6054","0.0004","16.2662","0.0005","12.0479","0.0004","90","","112.497","0.002","90","","2101.27","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Gd N O9 S2 -","- C17 H18 Gd N O9 S2 -","- C68 H72 Gd4 N4 O36 S8 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0497","0.0328","","","0.0648","0.0707","","","","","","1.037","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327852","11.6005","0.0003","16.4488","0.0005","12.0828","0.0004","90","","112.295","0.002","90","","2133.21","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N Nd O9 S2 -","- C17 H18 N Nd O9 S2 -","- C68 H72 N4 Nd4 O36 S8 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0617","0.0401","","","0.0775","0.0855","","","","","","1.02","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327853","11.5776","0.0008","16.2984","0.0011","12.0326","0.0009","90","","112.5","0.002","90","","2097.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Eu N O9 S2 -","- C17 H18 Eu N O9 S2 -","- C68 H72 Eu4 N4 O36 S8 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0599","0.0377","","","0.0696","0.0776","","","","","","0.997","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327854","11.614","0.0005","16.0888","0.0007","12.0204","0.0006","90","","112.699","0.002","90","","2072.11","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Er N O9 S2 -","- C17 H18 Er N O9 S2 -","- C68 H72 Er4 N4 O36 S8 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0551","0.0364","","","0.0734","0.081","","","","","","0.975","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327855","11.6017","0.0002","16.2188","0.0003","12.0231","0.0002","90","","112.571","0.001","90","","2089.05","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N O9 S2 Tb -","- C17 H18 N O9 S2 Tb -","- C68 H72 N4 O36 S8 Tb4 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0457","0.0317","","","0.0649","0.0699","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327856","11.5408","0.0017","16.159","0.002","12.0019","0.0016","90","","112.733","0.006","90","","2064.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Dy N O9 S2 -","- C17 H18 Dy N O9 S2 -","- C68 H72 Dy4 N4 O36 S8 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.021","0.0176","","","0.0464","0.0485","","","","","","1.065","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327857","14.0214","0.0002","11.5047","0.0002","20.4346","0.0003","90","","129.375","0.001","90","","2548.11","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 N3 O11 S2 Yb -","- C20 H10 N3 O11 S2 Yb -","- C80 H40 N12 O44 S8 Yb4 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0274","0.0248","","","0.0652","0.0669","","","","","","1.003","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327858","17.3413","0.0005","11.6871","0.0003","27.8924","0.001","90","","115.104","0.003","90","","5119","0.3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C39 H48 Cl0 N14 Nd2 O19 S3 -","- C39 H48 N14 Nd2 O19 S3 -","- C156 H192 N56 Nd8 O76 S12 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0466","0.0369","","","0.1064","0.1097","","","","","","1.083","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327859","16.9836","0.0006","12.1799","0.0004","27.7375","0.0011","90","","114.666","0.003","90","","5214.2","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H42 N12 Nd2 O19 S3 -","- C38 H42 N12 Nd2 O19 S3 -","- C152 H168 N48 Nd8 O76 S12 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0978","0.0647","","","0.1746","0.1904","","","","","","1.081","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327860","17.0072","0.0019","12.1455","0.0007","27.524","0.003","90","","114.738","0.007","90","","5163.6","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C37 H48 N10 Nd2 O19 S3 -","- C37 H48 N10 Nd2 O19 S3 -","- C148 H192 N40 Nd8 O76 S12 -","4","1","","Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang","Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange","Inorganic Chemistry","2012","51","","523","530","10.1021/ic201986m","","","0.71073","MoKα","","0.0575","0.0501","","","0.1447","0.1565","","","","","","1.127","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327861","5.0335","0.0007","9.8636","0.0014","16.915","0.003","100.258","0.018","92.229","0.019","94.336","0.017","822.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F6 N2 O2 Pd -","- C16 H10 F6 N2 O2 Pd -","- C32 H20 F12 N4 O4 Pd2 -","2","1","","Lisa Brückmann; Wieland Tyrra; Stefan Stucky; Sanjay Mathur","Novel Air-Stable and Volatile Bis(pyridylalkenolato)palladium(II) and -platinum(II) Derivatives","Inorganic Chemistry","2012","51","","536","542","10.1021/ic201996r","","","0.71073","MoKα","","0.082","0.0383","","","0.0798","0.0904","","","","","","0.973","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327862","11.411","0.005","5.94","0.005","14.471","0.005","90","","96.453","0.005","90","","974.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F10 N2 O2 Pd -","- C18 H10 F10 N2 O2 Pd -","- C36 H20 F20 N4 O4 Pd2 -","2","0.5","","Lisa Brückmann; Wieland Tyrra; Stefan Stucky; Sanjay Mathur","Novel Air-Stable and Volatile Bis(pyridylalkenolato)palladium(II) and -platinum(II) Derivatives","Inorganic Chemistry","2012","51","","536","542","10.1021/ic201996r","","","0.71073","MoKα","","0.0592","0.033","","","0.0641","0.0686","","","","","","0.892","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327863","10.1229","0.0019","5.8527","0.0006","12.709","0.0024","90","","106.872","0.014","90","","720.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 Pd -","- C16 H16 N2 O2 Pd -","- C32 H32 N4 O4 Pd2 -","2","0.5","","Lisa Brückmann; Wieland Tyrra; Stefan Stucky; Sanjay Mathur","Novel Air-Stable and Volatile Bis(pyridylalkenolato)palladium(II) and -platinum(II) Derivatives","Inorganic Chemistry","2012","51","","536","542","10.1021/ic201996r","","","0.71073","MoKα","","0.0322","0.0272","","","0.077","0.0798","","","","","","1.074","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327864","4.963","0.001","9.939","0.002","17.939","0.004","100.436","0.017","92.178","0.017","94.89","0.017","865.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F6 N2 O2 Pt -","- C16 H10 F6 N2 O2 Pt -","- C32 H20 F12 N4 O4 Pt2 -","2","1","","Lisa Brückmann; Wieland Tyrra; Stefan Stucky; Sanjay Mathur","Novel Air-Stable and Volatile Bis(pyridylalkenolato)palladium(II) and -platinum(II) Derivatives","Inorganic Chemistry","2012","51","","536","542","10.1021/ic201996r","","","0.71073","MoKα","","0.0715","0.0362","","","0.0838","0.0938","","","","","","0.984","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327865","14.295","0.003","5.7769","0.0006","14.94","0.003","90","","116.47","0.02","90","","1104.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F14 N2 O2 Pd -","- C20 H10 F14 N2 O2 Pd -","- C40 H20 F28 N4 O4 Pd2 -","2","0.5","","Lisa Brückmann; Wieland Tyrra; Stefan Stucky; Sanjay Mathur","Novel Air-Stable and Volatile Bis(pyridylalkenolato)palladium(II) and -platinum(II) Derivatives","Inorganic Chemistry","2012","51","","536","542","10.1021/ic201996r","","","0.71073","MoKα","","0.125","0.0472","","","0.101","0.1203","","","","","","0.814","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327866","38.7112","0.0011","14.863","0.0004","29.3525","0.0008","90","","110.296","0.002","90","","15839.8","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H75 B Co F24 P4 Si -","- C78.0128 H79 B Co F24 P4 Si -","- C624.102 H632 B8 Co8 F192 P32 Si8 -","8","1","","Ayumi Takaoka; Jonas C. Peters","A Homologous Series of Cobalt, Rhodium, and Iridium Metalloradicals","Inorganic Chemistry","2012","51","","16","18","10.1021/ic202079r","","","0.71073","MoKα","","0.1009","0.0587","","","0.151","0.1763","","","","","","1.127","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327867","38.898","0.002","14.9266","0.001","29.4282","0.0019","90","","110.083","0.003","90","","16047.5","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H75 B F24 P4 Rh Si -","- C73.7046 H72 B F24 P4 Rh Si -","- C589.637 H576 B8 F192 P32 Rh8 Si8 -","8","1","","Ayumi Takaoka; Jonas C. Peters","A Homologous Series of Cobalt, Rhodium, and Iridium Metalloradicals","Inorganic Chemistry","2012","51","","16","18","10.1021/ic202079r","","","0.71073","MoKα","","0.0848","0.055","","","0.1662","0.1931","","","","","","0.919","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327868","10.7531","0.0011","30.421","0.003","15.5269","0.0016","90","","101.115","0.002","90","","4983.9","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 Cl4 F3 Ir O3 P4 S Si -","- C42 H67 Cl4 F3 Ir O3 P4 S Si -","- C168 H268 Cl16 F12 Ir4 O12 P16 S4 Si4 -","4","1","","Ayumi Takaoka; Jonas C. Peters","A Homologous Series of Cobalt, Rhodium, and Iridium Metalloradicals","Inorganic Chemistry","2012","51","","16","18","10.1021/ic202079r","","","0.71073","MoKα","","0.0565","0.0432","","","0.0973","0.1044","","","","","","1.091","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327869","8.7987","0.0006","8.6327","0.0006","15.3409","0.0011","90","","90.927","0.001","90","","1165.09","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(trifluoroacetato)-bismuth(III)","","- C6 Bi F9 O6 -","- C6 Bi F9 O6 -","- C24 Bi4 F36 O24 -","4","1","","Alexander S. Filatov; Margaret Napier; Volodimir D. Vreshch; Natalie J. Sumner; Evgeny V. Dikarev; Marina A. Petrukhina","From Solid State to Solution: Advancing Chemistry of Bi-Bi and Bi-Rh Paddlewheel Carboxylates","Inorganic Chemistry","2012","51","","566","571","10.1021/ic202089p","","","0.71073","Mo-Kα","","0.0286","0.0236","","","0.0507","0.0519","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327870","11.5233","0.0004","22.6418","0.0009","17.2846","0.0007","90","","91.865","0.001","90","","4507.3","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","tetrakis(μ~2~-trifluoroacetato-O,O')-di-bismuth(II,II) diphenyl ether","","- C28 H10 Bi4 F24 O17 -","- C28 H10 Bi4 F24 O17 -","- C112 H40 Bi16 F96 O68 -","4","1","","Alexander S. Filatov; Margaret Napier; Volodimir D. Vreshch; Natalie J. Sumner; Evgeny V. Dikarev; Marina A. Petrukhina","From Solid State to Solution: Advancing Chemistry of Bi-Bi and Bi-Rh Paddlewheel Carboxylates","Inorganic Chemistry","2012","51","","566","571","10.1021/ic202089p","","","0.71073","Mo-Kα","","0.0276","0.0243","","","0.0489","0.0502","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327871","9.7707","0.0005","12.3992","0.0007","13.0323","0.0007","90","","90","","90","","1578.85","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrakis(μ~2~-trifluoroacetato-O,O')-bismuth-rhodium(II,II)","","- C8 Bi F12 O8 Rh -","- C8 Bi F12 O8 Rh -","- C32 Bi4 F48 O32 Rh4 -","4","1","","Alexander S. Filatov; Margaret Napier; Volodimir D. Vreshch; Natalie J. Sumner; Evgeny V. Dikarev; Marina A. Petrukhina","From Solid State to Solution: Advancing Chemistry of Bi-Bi and Bi-Rh Paddlewheel Carboxylates","Inorganic Chemistry","2012","51","","566","571","10.1021/ic202089p","","","0.71073","Mo-Kα","","0.0309","0.0264","","","0.0561","0.0567","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327872","20.118","0.003","11.5453","0.0017","9.8458","0.0014","90","","96.576","0.002","90","","2271.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis(μ~2~-pentafluoropropionato-O,O')-bismuth-rhodium(II,II)","","- C12 Bi F20 O8 Rh -","- C12 Bi F20 O8 Rh -","- C48 Bi4 F80 O32 Rh4 -","4","1","","Alexander S. Filatov; Margaret Napier; Volodimir D. Vreshch; Natalie J. Sumner; Evgeny V. Dikarev; Marina A. Petrukhina","From Solid State to Solution: Advancing Chemistry of Bi-Bi and Bi-Rh Paddlewheel Carboxylates","Inorganic Chemistry","2012","51","","566","571","10.1021/ic202089p","","","0.71073","Mo-Kα","","0.0355","0.0292","","","0.0703","0.0743","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327873","10.053","0.004","10.513","0.004","37.598","0.016","90","","90","","90","","3974","3","149","2","149","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C184 H184 N24 O16 -","8","2","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0591","0.035","","","0.0594","0.0622","","","","","","0.982","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327874","25.946","0.002","25.946","0.002","25.946","0.002","90","","90","","90","","17467","2","153","2","153","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.5 H75 Cl3 Eu N9 O7.5 -","- C70.5 H69 Cl3 Eu N9 O7.5 -","- C564 H552 Cl24 Eu8 N72 O60 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0311","0.0298","","","0.0834","0.0847","","","","","","1.079","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327875","25.965","","25.965","","25.965","","90","","90","","90","","17505.1","","147","2","147","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.88 H76.5 Cl3 Eu N9 O7.88 -","- C70.88 H73.5 Cl3 Eu N9 O7.88 -","- C567.04 H588 Cl24 Eu8 N72 O63.04 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0338","0.0297","","","0.0816","0.084","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327876","25.967","","25.967","","25.967","","90","","90","","90","","17509.2","","151","2","151","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.88 H76.5 Cl3 Gd N9 O7.88 -","- C70.89 H73.5 Cl3 Gd N9 O7.88 -","- C567.12 H588 Cl24 Gd8 N72 O63.04 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0289","0.0271","","","0.0734","0.0747","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327877","25.955","","25.955","","25.955","","90","","90","","90","","17484.9","","143","2","143","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.88 H76.5 Cl3 Gd N9 O7.88 -","- C70.88 H73.5 Cl3 Gd N9 O7.88 -","- C567.04 H588 Cl24 Gd8 N72 O63.04 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.034","0.031","","","0.0787","0.0805","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327878","25.938","","25.938","","25.938","","90","","90","","90","","17450.6","","151","2","151","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.5 H76.25 Cl3 N9 O7.5 Tb -","- C70.5 H69 Cl3 N9 O7.5 Tb -","- C564 H552 Cl24 N72 O60 Tb8 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0223","0.0219","","","0.0597","0.0603","","","","","","1.119","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327879","25.942","","25.942","","25.942","","90","","90","","90","","17458.6","","151","2","151","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C71.5 H79 Cl3 N9 O8.5 Tb -","- C70.88 H73.5 Cl3 N9 O7.88 Tb -","- C567.04 H588 Cl24 N72 O63.04 Tb8 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0234","0.0227","","","0.0637","0.0642","","","","","","1.15","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327880","25.839","","25.839","","25.839","","90","","90","","90","","17251.5","","147","2","147","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C70.5 H75.75 Cl3 N9 O7.88 Yb -","- C70.5 H73.5 Cl3 N9 O7.88 Yb -","- C564 H588 Cl24 N72 O63.04 Yb8 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0319","0.0292","","","0.0787","0.0805","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327881","25.849","","25.849","","25.849","","90","","90","","90","","17271.5","","131","2","131","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C71.5 H79 Cl3 N9 O8.5 Yb -","- C71.25 H73.5 Cl3 N9 O8.25 Yb -","- C570 H588 Cl24 N72 O66 Yb8 -","8","0.333333","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0197","0.0193","","","0.0515","0.0517","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327882","15.385","0.006","14.237","0.005","6.918","0.003","90","","96.622","0.008","90","","1505.2","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cd N O4 -","- C12 H7 Cd N O4 -","- C48 H28 Cd4 N4 O16 -","4","1","","Sanjog S. Nagarkar; Abhijeet K. Chaudhari; Sujit K. Ghosh","Selective CO2 Adsorption in a Robust and Water-Stable Porous Coordination Polymer with New Network Topology","Inorganic Chemistry","2012","51","","572","576","10.1021/ic202102m","","","0.71073","MoKα","","0.1592","0.1483","","","0.3883","0.3921","","","","","","0.938","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327883","15.6447","0.0012","16.3423","0.0013","17.6625","0.0014","78.33","0.002","67.724","0.002","69.945","0.002","3911.8","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H48 As10 Cl2 N10 Na0 O60 V14 -","- C58 H48 As10 Cl2 N10 O60 V14 -","- C58 H48 As10 Cl2 N10 O60 V14 -","1","0.5","","John M. Breen; Lei Zhang; Raphaèle Clement; Wolfgang Schmitt","Hybrid Polyoxovanadates: Anion-Influenced Formation of Nanoscopic Cages and Supramolecular Assemblies of Asymmetric Clusters","Inorganic Chemistry","2012","51","","19","21","10.1021/ic202104z","","","0.71073","MoKα","","0.1009","0.0786","","","0.2319","0.2508","","","","","","1.006","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327884","36.752","0.002","36.752","0.002","16.2793","0.0019","90","","90","","120","","19043","3","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C48 As7 N8 O42 V10 -","- C49 As7 N8 O42 V10 -","- C294 As42 N48 O252 V60 -","6","0.5","","John M. Breen; Lei Zhang; Raphaèle Clement; Wolfgang Schmitt","Hybrid Polyoxovanadates: Anion-Influenced Formation of Nanoscopic Cages and Supramolecular Assemblies of Asymmetric Clusters","Inorganic Chemistry","2012","51","","19","21","10.1021/ic202104z","","","0.71073","MoKα","","0.1153","0.0585","","","0.1385","0.151","","","","","","0.919","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327885","27.4233","0.0001","20.2058","0.0002","28.1096","0.0002","90","","90","","90","","15575.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H82 Eu2 N24 O18 -","- C68 H82 Eu2 N24 O18 -","- C544 H656 Eu16 N192 O144 -","8","1","","Michael Steppert; Ivana Císařová; Thomas Fanghänel; Andreas Geist; Patric Lindqvist-Reis; Petra Panak; Petr Štěpnička; Sascha Trumm; Clemens Walther","Complexation of Europium(III) by Bis(dialkyltriazinyl)bipyridines in 1-Octanol","Inorganic Chemistry","2012","51","","591","600","10.1021/ic202119x","","","0.71073","MoKα","","0.0631","0.0436","","","0.0973","0.1062","","","","","","1.07","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327886","11.2345","0.0001","11.6912","0.0001","16.1069","0.0002","90.6795","0.0005","101.174","0.0006","115.399","0.0006","1864.04","0.03","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C32 H38 Eu N11 O9 -","- C32 H38 Eu N11 O9 -","- C64 H76 Eu2 N22 O18 -","2","1","","Michael Steppert; Ivana Císařová; Thomas Fanghänel; Andreas Geist; Patric Lindqvist-Reis; Petra Panak; Petr Štěpnička; Sascha Trumm; Clemens Walther","Complexation of Europium(III) by Bis(dialkyltriazinyl)bipyridines in 1-Octanol","Inorganic Chemistry","2012","51","","591","600","10.1021/ic202119x","","","0.71073","MoKα","","0.0255","0.0234","","","0.0563","0.0573","","","","","","1.052","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327887","7.827","0.004","16.764","0.005","9.679","0.005","90","","90","","90","","1270","1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 O15 Se3 V2 -","- Ca2 O15 Se3 V2 -","- Ca8 O60 Se12 V8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0464","0.0283","","","0.0641","0.0679","","","","","","0.936","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327888","14.739","0.013","9.788","0.008","8.44","0.007","90","","96.881","0.011","90","","1208.8","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O13 Se3 Sr2 V2 -","- O13 Se3 Sr2 V2 -","- O52 Se12 Sr8 V8 -","4","1","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0302","0.0268","","","0.069","0.0701","","","","","","1.085","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327889","13.9287","0.0007","5.3787","0.0003","8.9853","0.0005","90","","90","","90","","673.16","0.06","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O8 Se V2 -","- Ba O8 Se V2 -","- Ba4 O32 Se4 V8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0192","0.017","","","0.0404","0.0411","","","","","","1.045","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327890","25.161","0.003","12.1579","0.0015","12.8592","0.0016","90","","90","","90","","3933.7","0.8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- O21 Se6 Sr4 V2 -","- O21 Se6 Sr4 V2 -","- O168 Se48 Sr32 V16 -","8","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0233","0.022","","","0.058","0.0583","","","","","","1.088","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327891","25.029","0.002","12.2147","0.001","13.0154","0.001","90","","90","","90","","3979.1","0.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- O21 Pb4 Se6 V2 -","- O21 Pb4 Se6 V2 -","- O168 Pb32 Se48 V16 -","8","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0296","0.0279","","","0.0679","0.0685","","","","","","1.019","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327892","7.8408","0.0012","4.0061","0.0006","10.8755","0.0017","90","","90","","90","","341.61","0.09","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 La Li -","- Ge2 La Li -","- Ge8 La4 Li4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.022","0.0179","","","0.0402","0.0413","","","","","","1.049","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327893","7.816","0.003","3.9721","0.0015","10.757","0.004","90","","90","","90","","334","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Ge2 Li -","- Ce Ge2 Li -","- Ce4 Ge8 Li4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0249","0.0212","","","0.0451","0.0477","","","","","","1.055","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327894","7.7846","0.0006","3.9509","0.0003","10.687","0.0008","90","","90","","90","","328.69","0.04","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 Li Pr -","- Ge2 Li Pr -","- Ge8 Li4 Pr4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0197","0.0176","","","0.0383","0.039","","","","","","1.135","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327895","7.773","0.003","3.9361","0.0014","10.644","0.004","90","","90","","90","","325.7","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 Li Nd -","- Ge2 Li Nd -","- Ge8 Li4 Nd4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0148","0.0142","","","0.0345","0.0349","","","","","","1.08","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327896","7.7638","0.0005","3.9014","0.0003","10.5243","0.0007","90","","90","","90","","318.78","0.04","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 Li Sm -","- Ge2 Li Sm -","- Ge8 Li4 Sm4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0153","0.0144","","","0.0327","0.0331","","","","","","1.071","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327897","8.0735","0.0007","3.973","0.0003","11.0099","0.0009","90","","90","","90","","353.15","0.05","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Ge2 Li -","- Eu Ge2 Li -","- Eu4 Ge8 Li4 -","4","0.5","","Svilen Bobev; Tae-Soo You; Nian-Tzu Suen; Shanta Saha; Richard Greene; Johnpierre Paglione","Synthesis, Structure, Chemical Bonding, and Magnetism of the Series ReLiGe2 (RE= La-Nd, Sm, Eu)","Inorganic Chemistry","2012","51","","620","628","10.1021/ic2021484","","","0.71073","MoKα","","0.0141","0.0129","","","0.0291","0.0295","","","","","","1.145","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327898","27.175","0.009","27.175","0.009","4.225","0.002","90","","90","","120","","2702.1","1.8","273","2","273","2","","","","","","","","4","P -6","P -6","174","","","","- Ba24 Hg9 S54 U9 -","- Ba24 Hg9 S54 U9 -","- Ba24 Hg9 S54 U9 -","1","0.166667","","Daniel E. Bugaris; James A. Ibers","Ba8Hg3U3S18: A Complex Uranium(+4)/Uranium(+5) Sulfide","Inorganic Chemistry","2012","51","","661","666","10.1021/ic202161y","","","0.71073","MoKα","","0.0358","0.027","","","0.0564","0.0622","","","","","","1.046","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327899","18.1455","0.0016","7.4799","0.0011","17.828","0.004","90","","111.102","0.011","90","","2257.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 F2 Ir N2 O2 -","- C27 H21 F2 Ir N2 O2 -","- C108 H84 F8 Ir4 N8 O8 -","4","1","","Etienne Baranoff; Basile F. E. Curchod; Julien Frey; Rosario Scopelliti; Florian Kessler; Ivano Tavernelli; Ursula Rothlisberger; Michael Grätzel; Md. Khaja Nazeeruddin","Acid-Induced Degradation of Phosphorescent Dopants for OLEDs and Its Application to the Synthesis of Tris-heteroleptic Iridium(III) Bis-cyclometalated Complexes","Inorganic Chemistry","2012","51","","215","224","10.1021/ic202162q","","","0.71073","MoKα","","0.0598","0.0468","","","0.1101","0.1183","","","","","","1.213","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327900","11.2599","0.0015","23.957","0.003","14.892","0.002","90","","93.496","0.003","90","","4009.7","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tantalum Guanidinate","Tantalum Guanidinate","","- C35 H71 N8 Si Ta -","- C35 H71 N8 Si Ta -","- C140 H284 N32 Si4 Ta4 -","4","1","","Bhavna Sharma; Shu-Jian Chen; Julia K. C. Abbott; Xue-Tai Chen; Zi-Ling Xue","Formation of the Imide [Ta(NMe2)3(μ-NSiMe3)]2 through an Unprecedented α-SiMe3 Abstraction by an Amide Ligand","Inorganic Chemistry","2012","51","","25","27","10.1021/ic2021676","","","0.71073","MoKα","","0.0365","0.0251","","","0.082","0.0964","","","","","","0.742","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327901","17.3784","0.001","17.4386","0.0014","18.8966","0.0011","80.902","0.001","71.928","0.001","60.125","0.001","4720.7","0.5","168","2","168","2","","","","","","","","5","P -1","-P 1","2","Imide Tantalum","Imide Tantalum","","- C18 H54 N8 Si2 Ta2 -","- C18 H54 N8 Si2 Ta2 -","- C108 H324 N48 Si12 Ta12 -","6","3","","Bhavna Sharma; Shu-Jian Chen; Julia K. C. Abbott; Xue-Tai Chen; Zi-Ling Xue","Formation of the Imide [Ta(NMe2)3(μ-NSiMe3)]2 through an Unprecedented α-SiMe3 Abstraction by an Amide Ligand","Inorganic Chemistry","2012","51","","25","27","10.1021/ic2021676","","","0.71073","MoKα","","0.0287","0.0254","","","0.0767","0.0911","","","","","","1.071","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327902","11.1053","0.001","12.5767","0.0012","20.0751","0.0019","82.84","0.001","77.765","0.002","79.258","0.001","2681.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H57 Mn5 N13 O19 -","- C41 H24 Mn5 N13 O19 -","- C82 H48 Mn10 N26 O38 -","2","1","","Zheng-Bo Han; Rui-Yun Lu; Yan-Fang Liang; Yan-Ling Zhou; Qing Chen; Ming-Hua Zeng","Mn(II)-Based Porous Metal-Organic Framework Showing Metamagnetic Properties and High Hydrogen Adsorption at Low Pressure","Inorganic Chemistry","2012","51","","674","679","10.1021/ic2021929","","","0.71073","MoKα","","0.0852","0.073","","","0.2117","0.2248","","","","","","1.129","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327903","9.1063","0.0008","14.7309","0.0014","18.546","0.002","90.341","0.003","95.604","0.004","107.903","0.004","2354.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H67 Cr2 N4 O -","- C55 H67 Cr2 N4 O -","- C110 H134 Cr4 N8 O2 -","2","1","","K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith","Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes","Inorganic Chemistry","2012","51","","688","700","10.1021/ic202233f","","","0.71073","MoKα","","0.1274","0.0522","","","0.0895","0.1128","","","","","","0.993","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327904","12.0157","0.0003","15.0102","0.0004","13.2704","0.0003","90","","109.716","0.001","90","","2253.11","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cr N2 O -","- C26 H31 Cr N2 O -","- C104 H124 Cr4 N8 O4 -","4","1","","K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith","Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes","Inorganic Chemistry","2012","51","","688","700","10.1021/ic202233f","","","0.71073","MoKα","","0.043","0.0344","","","0.0941","0.1003","","","","","","1.037","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327905","9.5648","0.001","12.8067","0.0015","13.3869","0.0016","63.185","0.006","73.615","0.006","82.412","0.006","1404","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 Cr N2 O2 -","- C33 H35 Cr N2 O2 -","- C66 H70 Cr2 N4 O4 -","2","1","","K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith","Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes","Inorganic Chemistry","2012","51","","688","700","10.1021/ic202233f","","","0.71073","MoKα","","0.0476","0.0376","","","0.0955","0.102","","","","","","1.044","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327906","17.658","0.002","10.735","0.002","19.883","0.004","90","","91.067","0.007","90","","3768.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 Cr N2 O2 -","- C41 H51 Cr N2 O2 -","- C164 H204 Cr4 N8 O8 -","4","1","","K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith","Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes","Inorganic Chemistry","2012","51","","688","700","10.1021/ic202233f","","","0.71073","MoKα","","0.0956","0.0492","","","0.1243","0.1346","","","","","","1.01","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327907","16.302","0.003","9.0161","0.0016","18.449","0.003","90","","99.28","0.004","90","","2676.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 Cr N2 O -","- C30 H39 Cr N2 O -","- C120 H156 Cr4 N8 O4 -","4","1","","K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith","Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes","Inorganic Chemistry","2012","51","","688","700","10.1021/ic202233f","","","0.71073","MoKα","","0.0659","0.0436","","","0.1016","0.1122","","","","","","1.063","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327908","11.5614","0.001","8.9497","0.0008","29.309","0.003","90","","99.964","0.005","90","","2986.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Cr N2 O -","- C35 H41 Cr N2 O -","- C140 H164 Cr4 N8 O4 -","4","1","","K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith","Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes","Inorganic Chemistry","2012","51","","688","700","10.1021/ic202233f","","","0.71073","MoKα","","0.0667","0.0422","","","0.1006","0.1118","","","","","","1.034","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327909","16.0439","0.0008","11.9799","0.0005","27.4399","0.0013","90","","103.2","0.002","90","","5134.7","0.4","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H76 Cr2 N4 O2 -","- C60 H76 Cr2 N4 O2 -","- C240 H304 Cr8 N16 O8 -","4","1","","K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith","Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes","Inorganic Chemistry","2012","51","","688","700","10.1021/ic202233f","","","0.71073","MoKα","","0.0761","0.0456","","","0.108","0.1225","","","","","","1.021","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327910","31.054","0.003","18.839","0.002","31.163","0.003","90","","111.582","0.002","90","","16953","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H220 Cr2 N4 O -","- C164 H220 Cr2 N4 O -","- C656 H880 Cr8 N16 O4 -","4","1","","K. Cory MacLeod; Brian O. Patrick; Kevin M. Smith","Reactivity of Cr(III) μ-Oxo Compounds: Catalyst Regeneration and Atom Transfer Processes","Inorganic Chemistry","2012","51","","688","700","10.1021/ic202233f","","","0.71073","MoKα","","0.1453","0.0847","","","0.2039","0.2303","","","","","","0.952","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327911","10.0317","0.0003","9.8261","0.0003","12.7639","0.0004","90","","114.52","0.002","90","","1144.7","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","di(mu-bromido)di(bromido) bis[2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde-k2N,N'] dicopper(II)","","- C8 H6 Br2 Cu N4 O S -","- C8 H6 Br2 Cu N4 O S -","- C32 H24 Br8 Cu4 N16 O4 S4 -","4","1","","Almudena Gallego; Oscar Castillo; Carlos J. Gómez-García; Félix Zamora; Salomé Delgado","Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands","Inorganic Chemistry","2012","51","","718","727","10.1021/ic202255w","","","1.54178","CuKα","","0.0527","0.0463","","","0.1347","0.1421","","","","","","1.094","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327912","7.4545","0.0007","15.4787","0.0015","11.1325","0.001","90","","90","","90","","1284.5","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","iodido-[bis(2-pyrimidyl)trisulfide-k3N,N',S]-copper(I)","","- C8 H6 Cu I N4 S3 -","- C8 H6 Cu I N4 S3 -","- C32 H24 Cu4 I4 N16 S12 -","4","0.5","","Almudena Gallego; Oscar Castillo; Carlos J. Gómez-García; Félix Zamora; Salomé Delgado","Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands","Inorganic Chemistry","2012","51","","718","727","10.1021/ic202255w","","","1.54178","CuKα","","0.0246","0.0244","","","0.0621","0.0622","","","","","","1.113","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327913","10.3368","0.0003","7.6318","0.0003","17.4468","0.0006","90","","120.782","0.002","90","","1182.45","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly-[(mu-bromido)bis(mu4-pyrimidine-2-thionato)tricopper(I)]","","- C8 H6 Br Cu3 N4 S2 -","- C8 H6 Br Cu3 N4 S2 -","- C32 H24 Br4 Cu12 N16 S8 -","4","1","","Almudena Gallego; Oscar Castillo; Carlos J. Gómez-García; Félix Zamora; Salomé Delgado","Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands","Inorganic Chemistry","2012","51","","718","727","10.1021/ic202255w","","","0.71073","MoKα","","0.0472","0.0311","","","0.0679","0.0696","","","","","","0.908","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327914","7.2574","0.0006","7.9897","0.0007","13.9518","0.001","74.6","0.003","81.066","0.003","63.818","0.003","699.24","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","catena-[(mu-iodido)(mu-pyrimidine-2-thione-KN:KS)copper(I)]","","- C8 H8 Cu2 I2 N4 S2 -","- C8 H8 Cu2 I2 N4 S2 -","- C16 H16 Cu4 I4 N8 S4 -","2","1","","Almudena Gallego; Oscar Castillo; Carlos J. Gómez-García; Félix Zamora; Salomé Delgado","Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands","Inorganic Chemistry","2012","51","","718","727","10.1021/ic202255w","","","0.71073","MoKα","","0.0286","0.0268","","","0.0702","0.0735","","","","","","1.129","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327915","7.3069","0.0004","8.0037","0.0004","8.5871","0.0004","97.41","0.002","100.887","0.002","111.137","0.002","449.2","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","catena-[(mu-iodido)(mu3-iodido)(mu3-pyrimidine-2-thione-KN:KS:KS)dicopper(I)]","","- C4 H4 Cu2 I2 N2 S -","- C4 H4 Cu2 I2 N2 S -","- C8 H8 Cu4 I4 N4 S2 -","2","1","","Almudena Gallego; Oscar Castillo; Carlos J. Gómez-García; Félix Zamora; Salomé Delgado","Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands","Inorganic Chemistry","2012","51","","718","727","10.1021/ic202255w","","","0.71073","MoKα","","0.0278","0.0272","","","0.0636","0.0639","","","","","","1.181","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327916","14.9268","0.0003","9.5484","0.0003","15.7207","0.0005","90","","106.817","0.001","90","","2144.8","0.11","100","2","100","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 Mo2 P2 -","- C46 H68 Mo2 P2 -","- C92 H136 Mo4 P4 -","2","0.5","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz; Jaime Suárez","Symmetrization in a Phosphinidene-Bridged Complex To Give a Diphosphanediyl Derivative with Metal-Centered Reactivity","Inorganic Chemistry","2012","51","","34","36","10.1021/ic2023456","","x-ray","0.71073","MoKα","","0.0667","0.0389","","","0.0711","0.0804","","","","","","1.03","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327917","10.193","0.0005","10.5993","0.0004","14.6459","0.0006","83.145","0.003","77.047","0.004","62.984","0.004","1373.51","0.11","150.1","","150.1","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C48 H74 B2 Cl4 F8 Mo2 P2 -","- C48 H74 B2 Cl4 F8 Mo2 P2 -","- C48 H74 B2 Cl4 F8 Mo2 P2 -","1","0.5","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz; Jaime Suárez","Symmetrization in a Phosphinidene-Bridged Complex To Give a Diphosphanediyl Derivative with Metal-Centered Reactivity","Inorganic Chemistry","2012","51","","34","36","10.1021/ic2023456","","x-ray","1.54184","CuKα","","0.0554","0.0518","","","0.1326","0.1378","","","","","","1.047","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327918","11.317","0.0018","11.9544","0.0018","13.948","0.002","108.303","0.002","91.29","0.002","95.539","0.002","1780.4","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Fe2(DPhF)3(C6H6)0.5","Diiron tris-N,N'diphenylformamidinate","","- C42 H36 Fe2 N6 -","- C42 H36 Fe2 N6 -","- C84 H72 Fe4 N12 -","2","1","","Christopher M. Zall; Danylo Zherebetskyy; Allison L. Dzubak; Eckhard Bill; Laura Gagliardi; Connie C. Lu","A Combined Spectroscopic and Computational Study of a High-Spin S=7/2 Diiron Complex with a Short Iron-Iron Bond","Inorganic Chemistry","2012","51","","728","736","10.1021/ic202384b","","","0.71073","MoKα","","0.1155","0.0599","","","0.1056","0.1164","","","","","","1.225","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327919","7.1889","0.0003","8.6829","0.0003","8.9185","0.0004","113.518","0.002","112.421","0.002","93.641","0.002","456.33","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Al2 Cl4 O4 -","- C14 H10 Al2 Cl4 O4 -","- C14 H10 Al2 Cl4 O4 -","1","0.5","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.0826","0.0691","","","0.1576","0.1779","","","","","","1.155","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327920","6.7311","0.0002","14.7242","0.0004","19.1681","0.0006","90","","90","","90","","1899.75","0.1","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C8 H20 Al2 Cl6 O4 -","- C8 H20 Al2 Cl6 O4 -","- C32 H80 Al8 Cl24 O16 -","4","0.5","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.0374","0.0329","","","0.0787","0.0812","","","","","","1.124","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327921","10.5831","0.0006","10.9003","0.001","11.1279","0.0009","90","","115.451","0.004","90","","1159.12","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 Al Cl2 N2 O2 -","- C19 H19 Al Cl2 N2 O2 -","- C38 H38 Al2 Cl4 N4 O4 -","2","0.5","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.047","0.0404","","","0.0861","0.0886","","","","","","1.093","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327922","10.3121","0.001","27.225","0.003","14.6991","0.0015","90","","92.602","0.006","90","","4122.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Al Cl2 N2 O2 -","- C17 H23 Al Cl2 N2 O2 -","- C136 H184 Al8 Cl16 N16 O16 -","8","1","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.0597","0.0451","","","0.1023","0.1074","","","","","","1.068","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327923","14.3681","0.0003","14.7009","0.0003","20.8981","0.0004","99.295","0.001","102.492","0.001","116.059","0.001","3702.25","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Al4 Cl8 O16 -","- C56 H58 Al4 Cl8 O16 -","- C112 H116 Al8 Cl16 O32 -","2","1","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.0949","0.0847","","","0.1748","0.2061","","","","","","1.028","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327924","11.3611","0.0004","23.7589","0.0009","24.7769","0.001","90","","107.126","0.002","90","","6391.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H75 Al4 Cl4 N3 O13 -","- C48 H75 Al4 Cl4 N3 O13 -","- C192 H300 Al16 Cl16 N12 O52 -","4","1","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.0855","0.0688","","","0.1661","0.1872","","","","","","1.045","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327925","13.001","0.0009","12.951","0.0009","18.427","0.0013","83.87","0.004","78.589","0.004","83.782","0.004","3011.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H82 Al4 Cl4 O17 -","- C46 H82.07 Al4 Cl4 O17 -","- C92 H164.14 Al8 Cl8 O34 -","2","1","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.2357","0.1834","","","0.4733","0.4933","","","","","","1.066","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327926","15.4156","0.0011","14.166","0.001","22.3022","0.0014","90","","128.659","0.004","90","","3803.1","0.5","99","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 Al3 Cl6 O10 -","- C26 H47 Al3 Cl6 O10 -","- C104 H188 Al12 Cl24 O40 -","4","1","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.0382","0.0303","","","0.0786","0.0861","","","","","","1.048","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327927","13.2971","0.0004","19.4679","0.0006","20.4001","0.0006","90","","103.408","0.002","90","","5137","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Al5 Cl12 N7 O5 -","- C24 H40 Al5 Cl12 N7 O5 -","- C96 H160 Al20 Cl48 N28 O20 -","4","1","","Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk","Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes","Inorganic Chemistry","2012","51","","737","745","10.1021/ic2023924","","","0.71073","MoKα","","0.0658","0.05","","","0.0993","0.1053","","","","","","1.065","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327928","14.9137","0.0006","15.0306","0.0005","16.7526","0.0007","65.774","0.002","67.054","0.002","86.44","0.002","3132.1","0.2","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C67 H53 F18 N9 U -","- C67 H53 F18 N9 U -","- C134 H106 F36 N18 U2 -","2","1","","Andrew J. Lewis; Ursula J. Williams; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Uranium Pyrrolylamine Complexes Featuring a Trigonal Binding Pocket and Interligand Noncovalent Interactions","Inorganic Chemistry","2012","51","","37","39","10.1021/ic202411f","","","0.71073","MoKα","","0.0758","0.0539","","","0.1343","0.1486","","","","","","1.166","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327929","14.8967","0.0006","29.622","0.0013","15.2447","0.0006","90","","113.741","0.002","90","","6157.8","0.4","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H92 F36 K2 N18 U -","- C128 H92 F36 K2 N18 U -","- C256 H184 F72 K4 N36 U2 -","2","0.5","","Andrew J. Lewis; Ursula J. Williams; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Uranium Pyrrolylamine Complexes Featuring a Trigonal Binding Pocket and Interligand Noncovalent Interactions","Inorganic Chemistry","2012","51","","37","39","10.1021/ic202411f","","","0.71073","MoKα","","0.0999","0.0705","","","0.1312","0.1392","","","","","","1.467","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327930","12.5198","0.0008","13.438","0.001","20.5761","0.0014","72.021","0.003","75.321","0.003","63.759","0.003","2925.5","0.4","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C123 H87 Cl2 F36 N17 U2 -","- C123 H87 Cl2 F36 N17 U2 -","- C123 H87 Cl2 F36 N17 U2 -","1","0.5","","Andrew J. Lewis; Ursula J. Williams; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Uranium Pyrrolylamine Complexes Featuring a Trigonal Binding Pocket and Interligand Noncovalent Interactions","Inorganic Chemistry","2012","51","","37","39","10.1021/ic202411f","","","0.71073","MoKα","","0.025","0.0207","","","0.0476","0.0491","","","","","","1.035","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327931","14.99","0.0015","22.203","0.002","17.6681","0.0017","90","","111.455","0.004","90","","5472.9","0.9","143","1","143","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H39 Cl F18 N6 O2 U -","- C56 H39 Cl F18 N6 O2 U -","- C224 H156 Cl4 F72 N24 O8 U4 -","4","1","","Andrew J. Lewis; Ursula J. Williams; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Uranium Pyrrolylamine Complexes Featuring a Trigonal Binding Pocket and Interligand Noncovalent Interactions","Inorganic Chemistry","2012","51","","37","39","10.1021/ic202411f","","","0.71073","MoKα","","0.0541","0.035","","","0.0762","0.0879","","","","","","1.137","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327932","25.2029","0.0005","15.2891","0.0003","19.2077","0.0004","90","","93.553","0.001","90","","7387.1","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","Sc2C2@C80(C2v)/Co(OEP)","","","- C120 H46 Cl6 Co N4 Sc2 -","- C120 H46 Cl6 Co N4 Sc2 -","- C480 H184 Cl24 Co4 N16 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Makoto Hachiya; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","X-ray Structures of Sc2C2@C2n (n= 40-42): In-Depth Understanding of the Core-Shell Interplay in Carbide Cluster Metallofullerenes","Inorganic Chemistry","2012","51","","746","750","10.1021/ic202438u","","","0.71073","MoKα","","0.0645","0.054","","","0.149","0.1612","","","","","","1.029","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327933","25.0092","0.0004","15.4199","0.0003","19.3935","0.0003","90","","93.103","0.001","90","","7467.9","0.2","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","Sc2C2@C82(C3v)/Co(OEP)","","","- C122 H46 Cl6 Co N4 Sc2 -","- C122 H46.001 Cl6.003 Co N4 Sc2.002 -","- C488 H184.004 Cl24.012 Co4 N16 Sc8.008 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Makoto Hachiya; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","X-ray Structures of Sc2C2@C2n (n= 40-42): In-Depth Understanding of the Core-Shell Interplay in Carbide Cluster Metallofullerenes","Inorganic Chemistry","2012","51","","746","750","10.1021/ic202438u","","","0.71073","MoKα","","0.0828","0.0602","","","0.1585","0.1792","","","","","","1.043","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327934","14.7682","0.0019","14.815","0.002","26.657","0.003","86.286","0.006","88.601","0.005","73.357","0.006","5576.1","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","Sc2C2@C84/2Co(OEP)","","","- C161.5 H90.5 Cl7.5 Co2 N8 S2 Sc2 -","- C161.5 H90.5 Cl7.5 Co2 N8 S2 Sc1.9984 -","- C323 H181 Cl15 Co4 N16 S4 Sc3.9968 -","2","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Makoto Hachiya; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","X-ray Structures of Sc2C2@C2n (n= 40-42): In-Depth Understanding of the Core-Shell Interplay in Carbide Cluster Metallofullerenes","Inorganic Chemistry","2012","51","","746","750","10.1021/ic202438u","","","0.71075","MoKα","","0.0924","0.0798","","","0.2162","0.2279","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327935","18.9043","0.0018","19.277","0.002","45.563","0.004","90","","90","","90","","16604","3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C100 N14 Nd2 O54 V18 -","- C100 N14 Nd2 O54 V18 -","- C400 N56 Nd8 O216 V72 -","4","1","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.1058","0.0749","","","0.1897","0.2064","","","","","","1.01","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327936","18.925","0.003","19.256","0.003","45.494","0.006","90","","90","","90","","16579","4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C100 N14 O54 Sm2 V18 -","- C100 N14 O54 Sm2 V18 -","- C400 N56 O216 Sm8 V72 -","4","1","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0759","0.0725","","","0.1962","0.199","","","","","","1.048","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327937","18.88","0.002","19.3","0.002","45.31","0.005","90","","90","","90","","16510","3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C100 N14 O54 Tb2 V18 -","- C100 N14 O54 Tb2 V18 -","- C400 N56 O216 Tb8 V72 -","4","1","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0846","0.0764","","","0.2017","0.2064","","","","","","1.045","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327938","23.693","0.002","44.032","0.004","25.265","0.003","90","","95.365","0.002","90","","26242","5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C168 Dy3 N30 O81.25 V27 -","- C168 Dy3 N30 O81.25 V27 -","- C672 Dy12 N120 O325 V108 -","4","1","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.1532","0.1256","","","0.2935","0.3091","","","","","","1.057","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327939","19.08","0.008","21.551","0.008","19.928","0.008","90","","112.743","0.011","90","","7557","5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 Ho N9 O25 V8 -","- C48 Ho N9 O25 V8 -","- C192 Ho4 N36 O100 V32 -","4","1","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0985","0.0788","","","0.2084","0.232","","","","","","1.053","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327940","15.0151","0.0013","14.7369","0.001","21.531","0.002","90","","100.45","0.003","90","","4685.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 Er N9 O30 V10 -","- C60 Er N9 O30 V10 -","- C120 Er2 N18 O60 V20 -","2","0.5","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0509","0.0495","","","0.1317","0.1329","","","","","","1.229","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327941","14.9882","0.0018","14.6892","0.0019","21.532","0.002","90","","100.612","0.003","90","","4659.5","0.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 N9 O30 Tm V10 -","- C60 N9 O30 Tm V10 -","- C120 N18 O60 Tm2 V20 -","2","0.5","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0486","0.048","","","0.13","0.1306","","","","","","1.05","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327942","15.0524","0.0015","14.7899","0.0014","21.408","0.002","90","","100.028","0.003","90","","4693.1","0.8","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 N9 O30 V10 Yb -","- C60 N9 O30 V10 Yb -","- C120 N18 O60 V20 Yb2 -","2","0.5","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0635","0.0623","","","0.1596","0.1604","","","","","","1.064","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327943","15.042","0.002","14.778","0.0016","21.426","0.003","90","","100.103","0.005","90","","4688.9","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 Lu N9 O30 V10 -","- C60 Lu N9 O30 V10 -","- C120 Lu2 N18 O60 V20 -","2","0.5","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0635","0.0616","","","0.1566","0.1591","","","","","","1.078","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327944","22.616","0.001","22.616","0.001","16.932","0.001","90","","90","","90","","8660.4","0.7","150","0.1","150","0.1","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C72 H96 Cu4 I4 O14 P4 Si4 -","- C72 H96 Cu4 I4 O14 P4 Si4 -","- C288 H384 Cu16 I16 O56 P16 Si16 -","4","0.25","","Sandrine Perruchas; Nicolas Desboeufs; Sébastien Maron; Xavier F. Le Goff; Alexandre Fargues; Alain Garcia; Thierry Gacoin; Jean-Pierre Boilot","Siloxanol-Functionalized Copper Iodide Cluster as a Thermochromic Luminescent Building Block","Inorganic Chemistry","2012","51","","794","798","10.1021/ic200672r","","","0.71069","MoKα","","0.0484","0.0351","","","0.099","0.105","","","","","","1.074","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327945","30.723","0.006","10.57","0.002","15.488","0.003","90","","92.4","0.03","90","","5025.2","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 F4 Ir N3 O3 -","- C29 H20 F4 Ir N3 O3 -","- C232 H160 F32 Ir8 N24 O24 -","8","1","","Etienne Baranoff; Basile F. E. Curchod; Filippo Monti; Frédéric Steimer; Gianluca Accorsi; Ivano Tavernelli; Ursula Rothlisberger; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes","Inorganic Chemistry","2012","51","","799","811","10.1021/ic2011474","","","0.71073","MoKα","","0.0259","0.0185","","","0.0377","0.0412","","","","","","1.158","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327946","15.0279","0.0014","15.44","0.002","28.284","0.003","90","","90","","90","","6562.8","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl4 Ir N3 O2 -","- C28 H16 Cl4 Ir N3 O2 -","- C224 H128 Cl32 Ir8 N24 O16 -","8","1","","Etienne Baranoff; Basile F. E. Curchod; Filippo Monti; Frédéric Steimer; Gianluca Accorsi; Ivano Tavernelli; Ursula Rothlisberger; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes","Inorganic Chemistry","2012","51","","799","811","10.1021/ic2011474","","","0.71073","MoKα","","0.0635","0.0479","","","0.0896","0.0958","","","","","","1.128","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327947","30.6777","0.0006","11.2485","0.0002","35.0954","0.0007","90","","90.412","0.002","90","","12110.3","0.4","140","2","140","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H17 Br4 Cl Ir N3 O2 -","- C28.5 H17 Br4 Cl Ir N3 O2 -","- C456 H272 Br64 Cl16 Ir16 N48 O32 -","16","2","","Etienne Baranoff; Basile F. E. Curchod; Filippo Monti; Frédéric Steimer; Gianluca Accorsi; Ivano Tavernelli; Ursula Rothlisberger; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes","Inorganic Chemistry","2012","51","","799","811","10.1021/ic2011474","","","0.71073","MoKα","","0.0648","0.0379","","","0.0883","0.1067","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327948","9.324","0.0014","38.685","0.006","10.3325","0.0015","90","","113.095","0.002","90","","3428.2","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ir(ppy)2(Ph2gua)","","","- C41 H40 Ir N5 -","- C41 H40 Ir N5 -","- C164 H160 Ir4 N20 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.0636","0.0488","","","0.1037","0.1082","","","","","","1.126","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327949","14.5028","0.0018","15.1337","0.0018","22.409","0.003","90","","105.361","0.002","90","","4742.6","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","IrNCNtBuPh","","","- C56 H64 Ir N5 -","- C56 H64 Ir N5 -","- C224 H256 Ir4 N20 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKa","","0.0478","0.0288","","","0.0492","0.0525","","","","","","0.89","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327950","12.064","0.002","12.613","0.002","13.605","0.002","101.863","0.002","103.87","0.002","117.48","0.002","1658.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H38 Ir N5 -","- C41 H38 Ir N5 -","- C82 H76 Ir2 N10 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.0607","0.0511","","","0.1392","0.1624","","","","","","1.1","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327951","11.112","0.004","15.742","0.005","16.584","0.005","112.386","0.004","96.055","0.004","97.321","0.004","2622.7","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H70 Ir N5 -","- C63 H70 Ir N5 -","- C126 H140 Ir2 N10 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.0763","0.0602","","","0.1378","0.1432","","","","","","0.965","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327952","9.4249","0.0011","38.875","0.005","10.2628","0.0012","90","","113.795","0.001","90","","3440.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 Ir N5 S -","- C41 H38 Ir N5 S -","- C164 H152 Ir4 N20 S4 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.0559","0.0476","","","0.104","0.1071","","","","","","1.188","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327953","9.482","0.004","37.636","0.017","10.311","0.005","90","","112.892","0.007","90","","3390","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IrPPy(Oxazone)","","","- C41 H38 Ir N5 O -","- C41 H38 Ir N5 O -","- C164 H152 Ir4 N20 O4 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.0852","0.0534","","","0.1056","0.1125","","","","","","0.967","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327954","22.451","0.006","12.203","0.003","26.487","0.006","90","","114.071","0.006","90","","6626","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ir(ppy)2(indgua)","","","- C38.5 H39 Ir N5 O0.5 -","- C38.5 H39 Ir N5 O0.5 -","- C308 H312 Ir8 N40 O4 -","8","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.082","0.0552","","","0.0966","0.1045","","","","","","1.071","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4327955","16.33","0.006","11.948","0.004","30.927","0.012","90","","94.737","0.005","90","","6014","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 Ir N5 -","- C33 H40 Ir N5 -","- C264 H320 Ir8 N40 -","8","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.1021","0.0737","","","0.1577","0.17","","","","","","1.085","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327956","9.7802","0.0012","11.724","0.0015","15.3546","0.0019","92.77","0.002","93.282","0.002","114.31","0.002","1596.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H44 Ir N5 -","- C35 H44 Ir N5 -","- C70 H88 Ir2 N10 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.0554","0.0435","","","0.1255","0.1937","","","","","","1.149","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327957","30.633","0.004","22.071","0.003","16.436","0.002","90","","112.643","0.002","90","","10256","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H48 Ir N5 -","- C37 H48 Ir N5 -","- C444 H576 Ir12 N60 -","12","1.5","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.0447","0.029","","","0.0557","0.0699","","","","","","0.938","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327958","11.968","0.004","32.511","0.011","18.857","0.006","90","","108.205","0.005","90","","6970","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 Ir N5 Si2 -","- C35 H48 Ir N5 Si2 -","- C280 H384 Ir8 N40 Si16 -","8","2","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Shanshan Zhao; Yu Liu; Zhaomin Hou","Bis-Cyclometalated Iridium(III) Complexes Bearing Ancillary Guanidinate Ligands. Synthesis, Structure, and Highly Efficient Electroluminescence","Inorganic Chemistry","2012","51","","822","835","10.1021/ic201217a","","","0.71073","MoKα","","0.1351","0.0869","","","0.1816","0.1989","","","","","","1.04","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327959","11.4061","0.0008","35.0837","0.0009","10.2841","0.0004","90","","122.677","0.004","90","","3464","0.3","120","2","120","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C36 H52 O3 S Si -","- C36 H52 O3 S Si -","- C144 H208 O12 S4 Si4 -","4","1","","Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret","Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts","Inorganic Chemistry","2012","51","","836","843","10.1021/ic2013073","","x-ray","0.71073","MoKα","","0.0323","0.0316","","","0.0778","0.0783","","","","","","1.057","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327960","12.6124","0.0007","24.0235","0.0009","12.753","0.0004","90","","90","","90","","3864.1","0.3","120","2","120","2","","","","","","","synthesis as described","6","P 21 21 2","P 2 2ab","18","","","","- C78 H116 Na2 O6 S2 Si2 -","- C78 H116 Na2 O6 S2 Si2 -","- C156 H232 Na4 O12 S4 Si4 -","2","0.5","","Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret","Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts","Inorganic Chemistry","2012","51","","836","843","10.1021/ic2013073","","x-ray","0.71073","MoKα","","0.0471","0.0409","","","0.104","0.1067","","","","","","1.013","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327961","10.7839","0.0005","12.1344","0.0006","16.0385","0.0008","86.689","0.004","72.849","0.004","66.292","0.005","1831.72","0.18","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C72 H106 Na2 O8 S2 Si2 -","- C72 H106 Na2 O8 S2 Si2 -","- C72 H106 Na2 O8 S2 Si2 -","1","0.5","","Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret","Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts","Inorganic Chemistry","2012","51","","836","843","10.1021/ic2013073","","x-ray","0.71073","MoKα","","0.0573","0.0404","","","0.0961","0.1008","","","","","","0.949","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327962","15.0557","0.0006","16.9264","0.0008","16.9715","0.0007","82.752","0.004","87.179","0.004","68.636","0.004","3995.6","0.3","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C86 H111 Na O13 S Si -","- C86 H111 Na O13 S Si -","- C172 H222 Na2 O26 S2 Si2 -","2","1","","Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret","Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts","Inorganic Chemistry","2012","51","","836","843","10.1021/ic2013073","","x-ray","0.71073","MoKα","","0.0973","0.0686","","","0.1977","0.2063","","","","","","1.08","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327963","8.4431","0.0009","9.145","0.0009","17.2506","0.0018","91.793","0.008","98.228","0.009","98.544","0.008","1301.7","0.2","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C27 H34 O3 S Si -","- C27 H34 O3 S Si -","- C54 H68 O6 S2 Si2 -","2","1","","Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret","Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts","Inorganic Chemistry","2012","51","","836","843","10.1021/ic2013073","","x-ray","0.71073","MoKα","","0.0553","0.0402","","","0.0995","0.1066","","","","","","1.019","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327964","23.545","0.016","8.979","0.006","13.021","0.009","90","","91.567","0.015","90","","2752","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C75 H51 N O4 Zn -","- C75 H51 N O4 Zn -","- C150 H102 N2 O8 Zn2 -","2","0.5","","Núria Aliaga-Alcalde; Laura Rodríguez; Marilena Ferbinteanu; Petra Höfer; Thomas Weyhermüller","Crystal Structure, Fluorescence, and Nanostructuration Studies of the First ZnII Anthracene-Based Curcuminoid","Inorganic Chemistry","2012","51","","864","873","10.1021/ic201420d","","","0.71073","MoKα","","0.1491","0.0638","","","0.1284","0.161","","","","","","1","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327965","8.9866","0.0002","10.0238","0.0002","20.0398","0.0005","90.607","0.001","99.714","0.001","112.515","0.001","1638.07","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H52 Mo N P3 Si -","- C27 H52 Mo N P3 Si -","- C54 H104 Mo2 N2 P6 Si2 -","2","1","","Andrey Y. Khalimon; Stanislav K. Ignatov; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A. K. Howard; Georgii I Nikonov","An Unexpected Mechanism of Hydrosilylation by a Silyl Hydride Complex of Molybdenum","Inorganic Chemistry","2012","51","","754","756","10.1021/ic201550a","","","0.71073","MoKα","","0.0385","0.031","","","0.0713","0.0739","","","","","","1.027","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327966","12.2853","0.0002","31.6711","0.0005","12.8947","0.0003","90","","90.036","0.002","90","","5017.18","0.16","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 P2 -","- C28 H30 N2 P2 -","- C224 H240 N16 P16 -","8","2","","Alexander N. Kornev; Vyacheslav V. Sushev; Yulia S. Panova; Natalia V. Belina; Olga V. Lukoyanova; Georgy K. Fukin; Sergey Y. Ketkov; Gleb A. Abakumov; Peter Lönnecke; Evamarie Hey-Hawkins","The Intramolecular Rearrangement of Phosphinohydrazides [R'2P-NR-NR-M] →[RN=PR'2-NR-M]: General Rules and Exceptions. Transformations of Bulky Phosphinohydrazines (R-NH-N(PPh2)2, R =tBu, Ph2P)","Inorganic Chemistry","2012","51","","874","881","10.1021/ic201617p","","","0.71073","MoKα","","0.0841","0.0592","","","0.1485","0.1559","","","","","","1.19","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327967","16.1309","0.0008","21.1279","0.001","19.9712","0.0009","90","","94.437","0.001","90","","6786","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H78 Co2 N2 O2 P6 -","- C80 H78 Co2 N2 O2 P6 -","- C320 H312 Co8 N8 O8 P24 -","4","1","","Alexander N. Kornev; Vyacheslav V. Sushev; Yulia S. Panova; Natalia V. Belina; Olga V. Lukoyanova; Georgy K. Fukin; Sergey Y. Ketkov; Gleb A. Abakumov; Peter Lönnecke; Evamarie Hey-Hawkins","The Intramolecular Rearrangement of Phosphinohydrazides [R'2P-NR-NR-M] →[RN=PR'2-NR-M]: General Rules and Exceptions. Transformations of Bulky Phosphinohydrazines (R-NH-N(PPh2)2, R =tBu, Ph2P)","Inorganic Chemistry","2012","51","","874","881","10.1021/ic201617p","","","0.71073","MoKα","","0.1202","0.0595","","","0.0956","0.1075","","","","","","0.997","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327968","10.0645","0.0003","25.9844","0.0009","15.3793","0.0005","90","","101.985","0.001","90","","3934.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Li N2 O2 P3 -","- C44 H46 Li N2 O2 P3 -","- C176 H184 Li4 N8 O8 P12 -","4","1","","Alexander N. Kornev; Vyacheslav V. Sushev; Yulia S. Panova; Natalia V. Belina; Olga V. Lukoyanova; Georgy K. Fukin; Sergey Y. Ketkov; Gleb A. Abakumov; Peter Lönnecke; Evamarie Hey-Hawkins","The Intramolecular Rearrangement of Phosphinohydrazides [R'2P-NR-NR-M] →[RN=PR'2-NR-M]: General Rules and Exceptions. Transformations of Bulky Phosphinohydrazines (R-NH-N(PPh2)2, R =tBu, Ph2P)","Inorganic Chemistry","2012","51","","874","881","10.1021/ic201617p","","","0.71073","MoKα","","0.0693","0.0519","","","0.1433","0.154","","","","","","1.067","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327969","11.5932","0.0004","12.2192","0.0004","20.8318","0.0006","86.39","0.001","84.327","0.001","63.19","0.001","2620.35","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H66 La N4 P3 Si4 -","- C48 H66 La N4 P3 Si4 -","- C96 H132 La2 N8 P6 Si8 -","2","1","","Alexander N. Kornev; Vyacheslav V. Sushev; Yulia S. Panova; Natalia V. Belina; Olga V. Lukoyanova; Georgy K. Fukin; Sergey Y. Ketkov; Gleb A. Abakumov; Peter Lönnecke; Evamarie Hey-Hawkins","The Intramolecular Rearrangement of Phosphinohydrazides [R'2P-NR-NR-M] →[RN=PR'2-NR-M]: General Rules and Exceptions. Transformations of Bulky Phosphinohydrazines (R-NH-N(PPh2)2, R =tBu, Ph2P)","Inorganic Chemistry","2012","51","","874","881","10.1021/ic201617p","","","0.71073","MoKα","","0.0374","0.0305","","","0.0718","0.0745","","","","","","1.059","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327970","14.278","0.0007","11.1546","0.0006","11.3505","0.0006","90","","104.082","0.003","90","","1753.42","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Co2 N2 O6 -","- C17 H16 Co2 N2 O6 -","- C68 H64 Co8 N8 O24 -","4","1","","Chen-I Yang; Po-Hsiang Chuang; Gene-Hsiang Lee; Shie-Ming Peng; Kuang-Lieh Lu","Spin-Canting Magnetization in an Unusual Co4 Cluster-Based Layer Compound from a 2,3-Dihydroxyquinoxaline Ligand","Inorganic Chemistry","2012","51","","757","759","10.1021/ic201636g","","","0.71073","MoKα","","0.0659","0.0433","","","0.1033","0.1154","","","","","","1.021","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327971","31.492","0.003","8.097","0.0007","21.497","0.002","90","","90","","90","","5481.5","0.9","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H84 Cl2 N8 O5 S -","- C46 H84 Cl2 N8 O5 S -","- C184 H336 Cl8 N32 O20 S4 -","4","1","","Arghya Basu; Gopal Das","Neutral Acyclic Anion Receptor with Thiadiazole Spacer: Halide Binding Study and Halide-Directed Self-Assembly in the Solid State","Inorganic Chemistry","2012","51","","882","889","10.1021/ic201656y","","","0.71073","MoKα","","0.1082","0.0533","","","0.1323","0.1677","","","","","","0.893","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327972","31.372","0.007","8.1971","0.0019","21.581","0.005","90","","90","","90","","5550","2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H84 Br2 N8 O5 S -","- C46 H84 Br2 N8 O5 S -","- C184 H336 Br8 N32 O20 S4 -","4","1","","Arghya Basu; Gopal Das","Neutral Acyclic Anion Receptor with Thiadiazole Spacer: Halide Binding Study and Halide-Directed Self-Assembly in the Solid State","Inorganic Chemistry","2012","51","","882","889","10.1021/ic201656y","","","0.71073","MoKα","","0.1072","0.0459","","","0.089","0.1097","","","","","","0.992","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327973","40.264","0.007","12.8688","0.0018","9.7766","0.0016","90","","90","","90","","5065.7","1.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H81 F N8 O4 S -","- C46 H81 F N8 O4 S -","- C184 H324 F4 N32 O16 S4 -","4","0.5","","Arghya Basu; Gopal Das","Neutral Acyclic Anion Receptor with Thiadiazole Spacer: Halide Binding Study and Halide-Directed Self-Assembly in the Solid State","Inorganic Chemistry","2012","51","","882","889","10.1021/ic201656y","","","0.71073","MoKα","","0.2491","0.0667","","","0.0706","0.0804","","","","","","1.099","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327974","17.0541","0.0019","14.2024","0.0015","20.996","0.002","90","","90","","90","","5085.4","0.9","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C65 H55 B N8 Ru -","- C65 H55 B N8 Ru -","- C260 H220 B4 N32 Ru4 -","4","1","","Wen-Wen Yang; Yu-Wu Zhong; Shinpei Yoshikawa; Jiang-Yang Shao; Shigeyuki Masaoka; Ken Sakai; Jiannian Yao; Masa-aki Haga","Tuning of Redox Potentials by Introducing a Cyclometalated Bond to Bis-tridentate Ruthenium(II) Complexes Bearing Bis(N-methylbenzimidazolyl)benzene or -pyridine Ligands","Inorganic Chemistry","2012","51","","890","899","10.1021/ic2016885","","","0.71073","MoKα","","0.0655","0.0383","","","0.069","0.0771","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327975","13.418","0.002","7.4563","0.0015","17.265","0.004","90","","90","","90","","1727.3","0.6","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(1-(4-Guanidinobutyl)-1,4,7-triazacyclononane)copper(II)perchlorate","","","- C11 H27 Cl3 Cu N6 -","- C11 H27 Cl3 Cu N6 -","- C44 H108 Cl12 Cu4 N24 -","4","1","","Linda Tjioe; Tanmaya Joshi; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Joël Brugger; Bim Graham; Leone Spiccia","Phosphodiester Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Bearing Single Alkyl Guanidine Pendants","Inorganic Chemistry","2012","51","","939","953","10.1021/ic2019814","","","0.71073","MoKα","","0.0649","0.0471","","","0.0814","0.0887","","","","","","0.987","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327976","10.6042","0.0011","17.6925","0.0016","17.61","0.0017","90","","90","","90","","3303.9","0.6","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(1-(2-Guanidinoethyl)-1,4,7-triazacyclononane)copper(II)perchlorate","","","- C18 H45 Cl3 Cu2 N12 O13 -","- C18 H45 Cl3 Cu2 N12 O13 -","- C72 H180 Cl12 Cu8 N48 O52 -","4","0.5","","Linda Tjioe; Tanmaya Joshi; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Joël Brugger; Bim Graham; Leone Spiccia","Phosphodiester Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Bearing Single Alkyl Guanidine Pendants","Inorganic Chemistry","2012","51","","939","953","10.1021/ic2019814","","","0.71073","MoKα","","0.0504","0.0366","","","0.0937","0.1019","","","","","","1.039","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327977","11.7286","0.0009","23.2621","0.0019","13.0701","0.0011","90","","92.504","0.002","90","","3562.5","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(1-(3-Guanidinopropyl)-1,4,7-triazacyclononane)copper(II)perchlorate","","","- C21 H54 Cl6 Cu2 N12 O -","- C21 H54 Cl6 Cu2 N12 O -","- C84 H216 Cl24 Cu8 N48 O4 -","4","1","","Linda Tjioe; Tanmaya Joshi; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Joël Brugger; Bim Graham; Leone Spiccia","Phosphodiester Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Bearing Single Alkyl Guanidine Pendants","Inorganic Chemistry","2012","51","","939","953","10.1021/ic2019814","","","0.71073","MoKα","","0.0421","0.0294","","","0.0639","0.0689","","","","","","1.048","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327978","11.826","0.005","16.272","0.005","18.321","0.005","90","","92.86","0.05","90","","3521","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H29 Cl4 Cu3 N15 O24 -","- C10 H29 Cl4 Cu3 N15 O24 -","- C40 H116 Cl16 Cu12 N60 O96 -","4","1","","Sacramento Ferrer; Francesc Lloret; Emilio Pardo; Juan Modesto Clemente-Juan; Malva Liu-González; Santiago García-Granda","Antisymmetric Exchange in Triangular Tricopper(II) Complexes: Correlation among Structural, Magnetic, and Electron Paramagnetic Resonance Parameters","Inorganic Chemistry","2012","51","","985","1001","10.1021/ic2020034","","","0.71069","MoKα","","0.1065","0.0566","","","0.1422","0.1686","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327979","11.216","0.002","11.538","0.002","13.696","0.003","76.68","0.011","69.074","0.011","88.28","0.011","1608.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H31 Cl2 Cu3 N15 O18 -","- C12 H31 Cl2 Cu3 N15 O18 -","- C24 H62 Cl4 Cu6 N30 O36 -","2","1","","Sacramento Ferrer; Francesc Lloret; Emilio Pardo; Juan Modesto Clemente-Juan; Malva Liu-González; Santiago García-Granda","Antisymmetric Exchange in Triangular Tricopper(II) Complexes: Correlation among Structural, Magnetic, and Electron Paramagnetic Resonance Parameters","Inorganic Chemistry","2012","51","","985","1001","10.1021/ic2020034","","","1.54184","CuKα","","0.1331","0.0882","","","0.229","0.2706","","","","","","0.966","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327980","11.4679","0.0001","12.6326","0.0001","14.7315","0.0001","93.075","0.001","109.88","","116.24","","1746.71","0.03","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H74 Cl8 N2 Na2 O10 Ru2 S2 -","- C56 H74 Cl8 N2 Na2 O10 Ru2 S2 -","- C56 H74 Cl8 N2 Na2 O10 Ru2 S2 -","1","0.5","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.0857","0.0517","","0.1132","0.0657","0.0637","","","","","","1.0196","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4327981","7.7351","0.0001","8.532","0.0001","15.0985","0.0002","88.243","0.001","79.191","0.001","88.959","0.001","978.22","0.02","296","2","298","","","","","","","","","7","P -1","-P 1","2","","","","- C13.5 H20 Cl4 N2 O1.5 Ru S -","- C13.5 H20 Cl4 N2 O1.5 Ru S -","- C27 H40 Cl8 N4 O3 Ru2 S2 -","2","1","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.0488","0.0325","","0.0674","0.0381","0.0376","","","","","","1.4583","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327982","9.2733","0.0007","15.3401","0.0011","15.8709","0.0011","99.532","0.001","105.574","0.001","107.318","0.001","2000.8","0.3","298","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H21 Cl4 N2 O Ru S -","- C14 H21 Cl4 N2 O Ru S -","- C56 H84 Cl16 N8 O4 Ru4 S4 -","4","2","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.0501","0.0301","","0.0601","0.0318","0.0311","","","","","","1.419","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327983","27.495","0.003","7.9456","0.0008","14.5149","0.0014","90","","90","","90","","3171","0.6","293","","298","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26 H27 Cl4 N4 O5 Ru S -","- C26 H27 Cl4 N4 O5 Ru S -","- C104 H108 Cl16 N16 O20 Ru4 S4 -","4","1","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.1613","0.0637","","0.0777","0.0476","0.0442","","","","","","1.3132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327984","13.1432","0.0012","13.1432","0.0012","19.6099","0.0018","90","","90","","120","","2933.6","0.5","150","","150","","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C5.25 H9 Cl3 N0.75 Na0.75 O1.12 Ru0.75 S0.75 -","- C5.25 H9 Cl3 N0.75 Na0.75 O1.125 Ru0.75 S0.75 -","- C42 H72 Cl24 N6 Na6 O9 Ru6 S6 -","8","1.33333","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.0819","0.0659","","0.0807","0.0677","0.0663","","","","","","1.0358","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327985","23.8824","0.0004","26.0265","0.0005","11.4433","0.0002","90","","90","","90","","7112.9","0.2","150","","150","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C8 H17 Cl4 N Na O2.5 Ru S -","- C8 H17 Cl4 N Na O2.5 Ru S -","- C128 H272 Cl64 N16 Na16 O40 Ru16 S16 -","16","1","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.0437","0.0398","","0.0567","0.0559","0.0559","","","","","","1.8772","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327986","8.9223","0.0002","9.7239","0.0002","14.8391","0.0004","99.805","0.001","90.656","0.001","96.222","0.001","1260.57","0.05","150","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C18 H24 Cl4 N2 Na O5 Ru S -","- C18 H24 Cl4 N2 Na O5 Ru S -","- C36 H48 Cl8 N4 Na2 O10 Ru2 S2 -","2","1","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.0578","0.0367","","0.0453","0.0292","0.0284","","","","","","1.0504","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327987","5.56","0.002","9.074","0.004","33.529","0.014","90","","90","","90","","1691.6","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S4 -","- C15 H11 N O4 S4 -","- C60 H44 N4 O16 S16 -","4","1","","Fabrice Pointillart; Adrien Bourdolle; Thomas Cauchy; Olivier Maury; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic Acid Dimethyl Antenna Ligand","Inorganic Chemistry","2012","51","","978","984","10.1021/ic202045a","","","0.71069","MoKα","","0.0721","0.0418","","","0.0951","0.1216","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327988","17.91","0.005","17.91","0.005","22.424","0.005","90","","90","","120","","6229","3","293","2","293","2","","","","","","","","7","P 31","P 31","144","","","","- C60 H28 Er2 F36 N2 O20 S8 -","- C60 H28 Er2 F36 N2 O20 S8 -","- C180 H84 Er6 F108 N6 O60 S24 -","3","1","","Fabrice Pointillart; Adrien Bourdolle; Thomas Cauchy; Olivier Maury; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic Acid Dimethyl Antenna Ligand","Inorganic Chemistry","2012","51","","978","984","10.1021/ic202045a","","","0.71073","MoKα","","0.1153","0.0661","","","0.1577","0.1875","","","","","","1.023","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327989","18.3102","0.0006","18.3102","0.0006","30.8926","0.001","90","","90","","90","","10357.2","0.6","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C23 H22 Cl N3 O3.5 Pd S -","- C23 H22 Cl N3 O3.5 Pd S -","- C368 H352 Cl16 N48 O56 Pd16 S16 -","16","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Molecular Thioamide \λeftarrow→Iminothiolate Switches for Sulfur Mustards","Inorganic Chemistry","2012","51","","760","762","10.1021/ic202087u","","","1.54178","CuKα","","0.0598","0.0584","","","0.1833","0.1848","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327990","8.6282","0.0003","9.7397","0.0003","12.5947","0.0004","88.865","0.001","86.56","0.001","71.381","0.001","1001.21","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Cl2 N3 Pt S2 -","- C15 H23 Cl2 N3 Pt S2 -","- C30 H46 Cl4 N6 Pt2 S4 -","2","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Molecular Thioamide \λeftarrow→Iminothiolate Switches for Sulfur Mustards","Inorganic Chemistry","2012","51","","760","762","10.1021/ic202087u","","","1.54178","CuKα","","0.0232","0.0227","","","0.0579","0.0584","","","","","","1.05","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327991","22.1884","0.0008","29.1886","0.0011","27.9202","0.0011","90","","125.248","0.002","90","","14767.3","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N3 Pt S2 -","- C19 H14 Cl N3 Pt S2 -","- C608 H448 Cl32 N96 Pt32 S64 -","32","8","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Molecular Thioamide \λeftarrow→Iminothiolate Switches for Sulfur Mustards","Inorganic Chemistry","2012","51","","760","762","10.1021/ic202087u","","","1.54178","CuKα","","0.1276","0.0878","","","0.2343","0.2603","","","","","","1.082","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327992","9.0808","0.0002","26.5379","0.0005","14.0952","0.0002","90","","118.933","0.001","90","","2972.78","0.1","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl Ge N2 -","- C32 H39 Cl Ge N2 -","- C128 H156 Cl4 Ge4 N8 -","4","1","","Siew-Peng Chia; Hui-Xian Yeong; Cheuk-Wai So","Reactivity of Digermylenes toward Potassium Graphite: Synthesis and Characterization of Germylidenide Anions","Inorganic Chemistry","2012","51","","1002","1010","10.1021/ic202138t","","","0.71073","MoKα","","0.0952","0.0572","","","0.1605","0.184","","","","","","1.087","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327993","14.9469","0.0003","15.6737","0.0003","18.6069","0.0004","90","","112.249","0.001","90","","4034.55","0.14","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl Ge N O2 -","- C21 H24 Cl Ge N O2 -","- C168 H192 Cl8 Ge8 N8 O16 -","8","2","","Siew-Peng Chia; Hui-Xian Yeong; Cheuk-Wai So","Reactivity of Digermylenes toward Potassium Graphite: Synthesis and Characterization of Germylidenide Anions","Inorganic Chemistry","2012","51","","1002","1010","10.1021/ic202138t","","","0.71073","MoKα","","0.0836","0.0432","","","0.1042","0.1305","","","","","","1.078","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327994","12.1121","0.0004","15.1482","0.0006","22.2158","0.0009","90","","110.586","0.002","90","","3815.8","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Ge2 N2 O4 -","- C42 H48 Ge2 N2 O4 -","- C168 H192 Ge8 N8 O16 -","4","1","","Siew-Peng Chia; Hui-Xian Yeong; Cheuk-Wai So","Reactivity of Digermylenes toward Potassium Graphite: Synthesis and Characterization of Germylidenide Anions","Inorganic Chemistry","2012","51","","1002","1010","10.1021/ic202138t","","","0.71073","MoKα","","0.0751","0.0417","","","0.1024","0.1283","","","","","","1.103","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327995","13.8962","0.0006","20.0041","0.0009","23.8699","0.001","90","","120.555","0.003","90","","5714","0.5","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 Ge2 N4 -","- C64 H78 Ge2 N4 -","- C256 H312 Ge8 N16 -","4","1","","Siew-Peng Chia; Hui-Xian Yeong; Cheuk-Wai So","Reactivity of Digermylenes toward Potassium Graphite: Synthesis and Characterization of Germylidenide Anions","Inorganic Chemistry","2012","51","","1002","1010","10.1021/ic202138t","","","0.71073","MoKα","","0.0835","0.044","","","0.1032","0.1309","","","","","","1.031","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327996","12.0702","0.0006","19.1886","0.001","16.1095","0.0007","90","","95.285","0.003","90","","3715.3","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Ge K N4 -","- C38 H55 Ge K N4 -","- C152 H220 Ge4 K4 N16 -","4","1","","Siew-Peng Chia; Hui-Xian Yeong; Cheuk-Wai So","Reactivity of Digermylenes toward Potassium Graphite: Synthesis and Characterization of Germylidenide Anions","Inorganic Chemistry","2012","51","","1002","1010","10.1021/ic202138t","","","0.71073","MoKα","","0.1812","0.0749","","","0.1558","0.1866","","","","","","0.916","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327997","15.8408","0.0006","26.3835","0.0008","25.1989","0.0009","90","","95.867","0.002","90","","10476.4","0.6","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H134.45 Ge4 K4 N4 O12 -","- C100 H134.446 Ge4 K4 N4 O12 -","- C400 H537.784 Ge16 K16 N16 O48 -","4","1","","Siew-Peng Chia; Hui-Xian Yeong; Cheuk-Wai So","Reactivity of Digermylenes toward Potassium Graphite: Synthesis and Characterization of Germylidenide Anions","Inorganic Chemistry","2012","51","","1002","1010","10.1021/ic202138t","","","0.71073","MoKα","","0.1615","0.0585","","","0.1374","0.1975","","","","","","1.036","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327998","13.6323","0.0004","13.8521","0.0004","19.2155","0.0005","90","","96.651","0.002","90","","3604.16","0.18","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Ag2 Cu2 N8 O6 -","- C28 H26 Ag2 Cu2 N8 O6 -","- C112 H104 Ag8 Cu8 N32 O24 -","4","1","","Jean-Pierre Costes; Carine Duhayon; Laure Vendier; Enrique Colacio; Antonio J. Mota Ávila; Jose Suárez Varela","Experimental Evidence and DFT Studies of Next-Nearest-Neighbor Magnetic Interactions through Diamagnetic 3d and 4d Ions","Inorganic Chemistry","2012","51","","1011","1019","10.1021/ic202157q","","","0.71073","MoKα","","0.0751","0.0453","","0.0676","0.0501","0.0481","","","","","","0.9922","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327999","7.4181","0.0018","13.345","0.003","13.526","0.003","90","","100.446","0.004","90","","1316.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cu2 N8 Ni O4 -","- C22 H26 Cu2 N8 Ni O4 -","- C44 H52 Cu4 N16 Ni2 O8 -","2","0.5","","Jean-Pierre Costes; Carine Duhayon; Laure Vendier; Enrique Colacio; Antonio J. Mota Ávila; Jose Suárez Varela","Experimental Evidence and DFT Studies of Next-Nearest-Neighbor Magnetic Interactions through Diamagnetic 3d and 4d Ions","Inorganic Chemistry","2012","51","","1011","1019","10.1021/ic202157q","","","0.71073","MoKα","","0.0429","0.0363","","","0.0901","0.0934","","","","","","1.067","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328000","6.9732","0.0012","7.7262","0.0014","11.9453","0.0018","80.228","0.014","82.644","0.013","89.461","0.014","628.96","0.19","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H26 Cu2 N8 Ni O2 -","- C24 H26 Cu2 N8 Ni O2 -","- C24 H26 Cu2 N8 Ni O2 -","1","0.5","","Jean-Pierre Costes; Carine Duhayon; Laure Vendier; Enrique Colacio; Antonio J. Mota Ávila; Jose Suárez Varela","Experimental Evidence and DFT Studies of Next-Nearest-Neighbor Magnetic Interactions through Diamagnetic 3d and 4d Ions","Inorganic Chemistry","2012","51","","1011","1019","10.1021/ic202157q","","","0.71073","MoKα","","0.1676","0.0484","","","0.0824","0.1099","","","","","","0.843","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328001","6.8371","0.0003","17.1234","0.0007","29.0604","0.0012","90","","90","","90","","3402.2","0.2","180","","180","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Ag Cu N4 O3 -","- C13 H19 Ag Cu N4 O3 -","- C104 H152 Ag8 Cu8 N32 O24 -","8","1","","Jean-Pierre Costes; Carine Duhayon; Laure Vendier; Enrique Colacio; Antonio J. Mota Ávila; Jose Suárez Varela","Experimental Evidence and DFT Studies of Next-Nearest-Neighbor Magnetic Interactions through Diamagnetic 3d and 4d Ions","Inorganic Chemistry","2012","51","","1011","1019","10.1021/ic202157q","","","0.71073","MoKα","","0.0614","0.0285","","0.0463","0.0301","0.0286","","","","","","1.0672","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328002","7.8905","0.0003","19.001","0.0007","21.1957","0.0009","90","","90","","90","","3177.8","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C28 H30 Cs3 O5 -","- C28 H30 Cs3 O5 -","- C112 H120 Cs12 O20 -","4","0.5","","Jeffrey A. Bertke; Allen G. Oliver; Kenneth W. Henderson","Effects of the Alkali-Metal Cation Size on Molecular and Extended Structures: Formation of Coordination Polymers and Hybrid Materials in the Homologous Series [(4-Et-C6H4OM).(diox)n], M = Li, Na, K, Rb, Cs","Inorganic Chemistry","2012","51","","1020","1027","10.1021/ic202158m","","","1.54178","CuKα","","0.0601","0.0439","","","0.1079","0.1168","","","","","","1.024","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328003","19.2016","0.0012","20.4584","0.0012","7.2704","0.0005","90","","90.113","0.004","90","","2856.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 K3 O5 -","- C28 H35 K3 O5 -","- C112 H140 K12 O20 -","4","1","","Jeffrey A. Bertke; Allen G. Oliver; Kenneth W. Henderson","Effects of the Alkali-Metal Cation Size on Molecular and Extended Structures: Formation of Coordination Polymers and Hybrid Materials in the Homologous Series [(4-Et-C6H4OM).(diox)n], M = Li, Na, K, Rb, Cs","Inorganic Chemistry","2012","51","","1020","1027","10.1021/ic202158m","","","1.54178","CuKα","","0.0956","0.0659","","","0.1238","0.138","","","","","","1.053","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328004","7.4579","0.0003","19.2403","0.0006","21.0434","0.0006","90","","90","","90","","3019.56","0.18","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9.66667 H10 O1.66667 Rb -","- C9.66667 H10 O1.66667 Rb -","- C116 H120 O20 Rb12 -","12","1.5","","Jeffrey A. Bertke; Allen G. Oliver; Kenneth W. Henderson","Effects of the Alkali-Metal Cation Size on Molecular and Extended Structures: Formation of Coordination Polymers and Hybrid Materials in the Homologous Series [(4-Et-C6H4OM).(diox)n], M = Li, Na, K, Rb, Cs","Inorganic Chemistry","2012","51","","1020","1027","10.1021/ic202158m","","","1.54178","CuKα","","0.0642","0.0591","","","0.2025","0.2065","","","","","","1.656","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4328005","8.312","0.0003","18.8886","0.0007","13.746","0.0005","90","","101.728","0.004","90","","2113.1","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Bis((2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl-1- stannatricyclo[3.3.3.01.5] undecane-1-yloxy)dimethylsilyl)benzene","","- C34 H64 N2 O8 Si2 Sn2 -","- C34 H64 N2 O8 Si2 Sn2 -","- C68 H128 N4 O16 Si4 Sn4 -","2","0.5","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0284","0.0211","","","0.0484","0.0492","","","","","","0.935","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328006","18.317","0.0008","13.4522","0.0005","18.7722","0.0009","90","","112.859","0.005","90","","4262.3","0.4","173","1","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2,6-Dimethylphenolato)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C20 H33 N O4 Sn -","- C20 H33 N O4 Sn -","- C160 H264 N8 O32 Sn8 -","8","2","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0546","0.0239","","","0.0331","0.0341","","","","","","0.922","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328007","12.8404","0.0008","13.2495","0.0012","13.7056","0.001","90","","90","","90","","2331.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-tert-Butylphenolato)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C22 H37 N O4 Sn -","- C22 H37 N O4 Sn -","- C88 H148 N4 O16 Sn4 -","4","1","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0529","0.0304","","","0.0309","0.0325","","","","","","0.644","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328008","10.9927","0.0003","12.4912","0.0005","17.034","0.0006","87.379","0.003","74.913","0.003","74.975","0.003","2180.55","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Nitrophenolato)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C19.75 H30 N2 O6 Sn -","- C18 H28 N2 O6 Sn -","- C72 H112 N8 O24 Sn4 -","4","2","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0289","0.0218","","","0.0526","0.054","","","","","","0.986","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328009","18.59","0.005","12.8903","0.0016","18.237","0.007","90","","112.38","0.04","90","","4041","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(4-Fluorophenolato)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C18 H28 F N O4 Sn -","- C18 H28 F N O4 Sn -","- C144 H224 F8 N8 O32 Sn8 -","8","1","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.1096","0.0518","","","0.0643","0.0755","","","","","","0.913","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328010","14.3731","0.0011","12.6262","0.0007","16.0139","0.0009","90","","104.335","0.007","90","","2815.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Diphenylphosphinophenolato)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C30 H38 N O4 P Sn -","- C30 H38 N O4 P Sn -","- C120 H152 N4 O16 P4 Sn4 -","4","1","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0725","0.0329","","","0.0448","0.0477","","","","","","0.724","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328011","15.6509","0.0007","14.5103","0.0009","18.3198","0.0009","90","","90","","90","","4160.4","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Methylthiophenolato)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C19 H31 N O3 S Sn -","- C19 H31 N O3 S Sn -","- C152 H248 N8 O24 S8 Sn8 -","8","1","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0878","0.0256","","","0.0357","0.0387","","","","","","0.631","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328012","12.3139","0.0003","13.0748","0.0003","17.0014","0.0005","100.408","0.002","103.418","0.002","90.459","0.002","2615.16","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","1-Diphenylphosphinodithioic-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C24 H34 N O3 P S2 Sn -","- C24 H34 N O3 P S2 Sn -","- C96 H136 N4 O12 P4 S8 Sn4 -","4","2","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0395","0.0252","","","0.0542","0.0554","","","","","","0.895","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328013","13.3262","0.0005","13.6034","0.0004","27.0601","0.0012","90","","90","","90","","4905.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-tert-Butylbenzoic)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C23 H37 N O5 Sn -","- C23 H37 N O5 Sn -","- C184 H296 N8 O40 Sn8 -","8","2","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0455","0.0303","","","0.0456","0.0468","","","","","","0.853","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328014","10.3357","0.0003","10.3357","0.0003","8.3534","0.0004","90","","90","","120","","772.81","0.05","173","2","173","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","1-Chlorido-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C12 H24 Cl N O3 Sn -","- C12 H24 Cl N O3 Sn -","- C24 H48 Cl2 N2 O6 Sn2 -","2","0.166667","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0173","0.0158","","","0.0405","0.0408","","","","","","1.104","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328015","10.2905","0.0006","10.2905","0.0006","8.5418","0.0006","90","","90","","120","","783.34","0.08","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","1-Bromido-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C12 H24 Br N O3 Sn -","- C12 H24 Br N O3 Sn -","- C24 H48 Br2 N2 O6 Sn2 -","2","0.333333","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0398","0.024","","","0.0378","0.0386","","","","","","0.822","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328016","8.7756","0.001","14.519","0.002","17.485","0.004","90","","90","","90","","2227.8","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-Iodido-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecan","","- C19 H32 I N O3 Sn -","- C12 H24 I N O3 Sn -","- C48 H96 I4 N4 O12 Sn4 -","4","1","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0713","0.0348","","","0.0494","0.0518","","","","","","0.756","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328017","10.5476","0.0005","11.9372","0.0005","14.8309","0.0007","77.983","0.001","74.524","0.001","82.625","0.001","1754.94","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H56 Cl4 Cu2 N8 O16 -","- C78 H56 Cl4 Cu2 N8 O16 -","- C78 H56 Cl4 Cu2 N8 O16 -","1","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Copper(II) Carboxylate Dimers Prepared from Ligands Designed to Form a Robust π...π Stacking Synthon: Supramolecular Structures and Molecular Properties","Inorganic Chemistry","2012","51","","1068","1083","10.1021/ic202198k","","","0.71073","MoKα","","0.0589","0.0507","","","0.1371","0.144","","","","","","1.051","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328018","7.4244","0.0004","22.7983","0.0011","16.0071","0.0008","90","","100.108","0.001","90","","2667.4","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 Cu2 N4 O18 -","- C62 H48 Cu2 N4 O18 -","- C124 H96 Cu4 N8 O36 -","2","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Copper(II) Carboxylate Dimers Prepared from Ligands Designed to Form a Robust π...π Stacking Synthon: Supramolecular Structures and Molecular Properties","Inorganic Chemistry","2012","51","","1068","1083","10.1021/ic202198k","","","0.71073","MoKα","","0.0647","0.0422","","","0.0793","0.087","","","","","","0.905","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328019","7.5527","0.0004","19.5974","0.0011","18.7062","0.001","90","","97.212","0.001","90","","2746.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 Cl4 Cu2 N4 O18 -","- C60 H44 Cl4 Cu2 N4 O18 -","- C120 H88 Cl8 Cu4 N8 O36 -","2","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Copper(II) Carboxylate Dimers Prepared from Ligands Designed to Form a Robust π...π Stacking Synthon: Supramolecular Structures and Molecular Properties","Inorganic Chemistry","2012","51","","1068","1083","10.1021/ic202198k","","","0.71073","MoKα","","0.0684","0.0477","","","0.1176","0.1265","","","","","","0.953","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328020","28.2716","0.0017","18.4654","0.0011","13.535","0.0008","90","","96.852","0.001","90","","7015.4","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H56 Cl4 Cu2 N4 O18 -","- C82 H56 Cl4 Cu2 N4 O18 -","- C328 H224 Cl16 Cu8 N16 O72 -","4","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Copper(II) Carboxylate Dimers Prepared from Ligands Designed to Form a Robust π...π Stacking Synthon: Supramolecular Structures and Molecular Properties","Inorganic Chemistry","2012","51","","1068","1083","10.1021/ic202198k","","","0.71073","MoKα","","0.0654","0.0488","","","0.112","0.1218","","","","","","1.046","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328021","12.501","0.003","23.683","0.005","7.1196","0.0014","90","","90","","90","","2107.8","0.8","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga Ge2 Li Se6 -","- Ga Ge2 Li Se6 -","- Ga8 Ge16 Li8 Se48 -","8","0.5","","Dajiang Mei; Wenlong Yin; Kai Feng; Zheshuai Lin; Lei Bai; Jiyong Yao; Yicheng Wu","LiGaGe2Se6: A New IR Nonlinear Optical Material with Low Melting Point","Inorganic Chemistry","2012","51","","1035","1040","10.1021/ic202202j","","","0.71073","MoKα","","0.0426","0.0373","","","0.0673","0.0689","","","","","","0.904","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328022","14.7202","0.001","10.2357","0.0007","22.3913","0.0015","90","","109.313","0.004","90","","3183.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(tris(5-methylpyrazolylmethane))iron(II) triphenylcyanoborate, acetonitrile solvate","","- C68 H68 B2 Fe N16 -","- C68 H68 B2 Fe N16 -","- C136 H136 B4 Fe2 N32 -","2","0.5","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0669","0.0405","","","0.1021","0.1113","","","","","","1.04","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328023","14.6268","0.0017","10.0287","0.0012","22.086","0.002","90","","109.064","0.007","90","","3062.1","0.6","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(tris(5-methylpyrazolylmethane))iron(II) triphenylcyanoborate, acetonitrile solvate","","- C68 H68 B2 Fe N16 -","- C68 H68 B2 Fe N16 -","- C136 H136 B4 Fe2 N32 -","2","0.5","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0432","0.0343","","","0.089","0.0927","","","","","","1.065","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328024","10.9589","0.0014","10.9589","0.0014","21.28","0.005","90","","90","","120","","2213.3","0.7","100","2","100","1","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) tetrafluoroborate","","- C26 H32 B2 F8 Fe N12 -","- C26 H32 B2 F8 Fe N12 -","- C78 H96 B6 F24 Fe3 N36 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.044","0.0328","","","0.072","0.0754","","","","","","1.054","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328025","11.182","0.0009","11.182","0.0009","21.578","0.003","90","","90","","120","","2336.6","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) tetrafluoroborate","","- C26 H32 B2 F8 Fe N12 -","- C26 H32 B2 F8 Fe N12 -","- C78 H96 B6 F24 Fe3 N36 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0585","0.0395","","","0.0918","0.0983","","","","","","1.046","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328026","11.0644","0.0012","11.0644","0.0012","21.42","0.005","90","","90","","120","","2270.9","0.6","173","0.2","173","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0521","0.0385","","","0.1091","0.1195","","","","","","1.053","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328027","11.1522","0.0012","11.1522","0.0012","21.492","0.005","90","","90","","120","","2314.9","0.6","243","0.2","243","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0661","0.0464","","","0.1317","0.1448","","","","","","1.04","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328028","11.1783","0.001","11.1783","0.001","21.515","0.004","90","","90","","120","","2328.2","0.5","263","0.2","263","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0626","0.0479","","","0.1421","0.154","","","","","","1.045","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328029","11.1948","0.0007","11.1948","0.0007","21.613","0.003","90","","90","","120","","2345.7","0.4","283","0.2","283","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0688","0.0496","","","0.1506","0.1668","","","","","","1.043","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328030","11.2103","0.0006","11.2103","0.0006","21.708","0.002","90","","90","","120","","2362.6","0.3","300","0.2","300","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0722","0.051","","","0.1581","0.1779","","","","","","1.076","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328031","5.91158","0.00007","15.15258","0.00018","5.70458","0.00007","90","","90","","90","","510.992","0.011","298","","298","","","","","","","","","4","I c m m","-I 2 2b","74","","","","- Ga O5 Sc Sr2 -","- Ga O5 Sc Sr2 -","- Ga4 O20 Sc4 Sr8 -","4","0.25","","Sergey V. Chernov; Yuri A. Dobrovolsky; Sergey Ya. Istomin; Evgeny V. Antipov; Jekabs Grins; Gunnar Svensson; Nadezhda V. Tarakina; Artem M. Abakumov; Gustaaf Van Tendeloo; Sten G. Eriksson; Seikh M. H. Rahman","Sr2GaScO5, Sr10Ga6Sc4O25, and SrGa0.75Sc0.25O2.5: a Play in the Octahedra to Tetrahedra Ratio in Oxygen-Deficient Perovskites","Inorganic Chemistry","2012","51","","1094","1103","10.1021/ic202236h","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.04056","","1.49","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4328032","17.52963","0.00004","17.52963","","32.85747","0.00009","90","","90","","90","","10096.7","0.04","298","","298","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ga6 O25 Sc4 Sr10 -","- Ga6 O25 Sc4 Sr10 -","- Ga96 O400 Sc64 Sr160 -","16","1","","Sergey V. Chernov; Yuri A. Dobrovolsky; Sergey Ya. Istomin; Evgeny V. Antipov; Jekabs Grins; Gunnar Svensson; Nadezhda V. Tarakina; Artem M. Abakumov; Gustaaf Van Tendeloo; Sten G. Eriksson; Seikh M. H. Rahman","Sr2GaScO5, Sr10Ga6Sc4O25, and SrGa0.75Sc0.25O2.5: a Play in the Octahedra to Tetrahedra Ratio in Oxygen-Deficient Perovskites","Inorganic Chemistry","2012","51","","1094","1103","10.1021/ic202236h","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.02875","","1.89","","","","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328033","10.3123","0.0002","20.0205","0.0003","35.2732","0.0004","90","","92.511","0.002","90","","7275.4","0.2","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 F Fe O13 S32 -","- C52 H37 F Fe O13 S32 -","- C208 H148 F4 Fe4 O52 S128 -","4","0.5","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3].PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2-= oxalate; A+= H3O+, K+; X = F, Cl, Br, and I): Influence of the Halobenzene Guest Molecules on the Crystal Structure and Superconducting Properties","Inorganic Chemistry","2012","51","","1111","1126","10.1021/ic202269x","","","0.71073","MoKα","","0.0612","0.0396","","","0.1117","0.127","","","","","","1.065","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328034","10.2899","0.0004","20.026","0.01","35.411","0.01","90","","92.974","0.005","90","","7287","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl Fe O13 S32 -","- C52 H37 Cl Fe O13 S32 -","- C208 H148 Cl4 Fe4 O52 S128 -","4","0.5","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3].PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2-= oxalate; A+= H3O+, K+; X = F, Cl, Br, and I): Influence of the Halobenzene Guest Molecules on the Crystal Structure and Superconducting Properties","Inorganic Chemistry","2012","51","","1111","1126","10.1021/ic202269x","","","0.71073","MoKα","","0.1395","0.0623","","","0.1218","0.1457","","","","","","1.056","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328035","10.2875","0.0003","20.0546","0.0015","35.513","0.002","90","","93.238","0.005","90","","7315.1","0.7","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Br Fe O13 S32 -","- C52 H37 Br Fe O13 S32 -","- C208 H148 Br4 Fe4 O52 S128 -","4","0.5","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3].PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2-= oxalate; A+= H3O+, K+; X = F, Cl, Br, and I): Influence of the Halobenzene Guest Molecules on the Crystal Structure and Superconducting Properties","Inorganic Chemistry","2012","51","","1111","1126","10.1021/ic202269x","","","0.71073","MoKα","","0.1086","0.0487","","","0.1089","0.1333","","","","","","1.06","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328036","10.226","0.0002","19.9234","0.0002","35.9064","0.0004","90","","93.3664","0.0006","90","","7302.83","0.18","292","2","292","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 Fe I K O12 S32 -","- C52 H37 Fe I K O12 S32 -","- C208 H148 Fe4 I4 K4 O48 S128 -","4","0.5","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3].PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2-= oxalate; A+= H3O+, K+; X = F, Cl, Br, and I): Influence of the Halobenzene Guest Molecules on the Crystal Structure and Superconducting Properties","Inorganic Chemistry","2012","51","","1111","1126","10.1021/ic202269x","","","0.71073","MoKα","","0.0946","0.0486","","","0.1212","0.1537","","","","","","1.024","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328037","10.2595","0.0003","11.1403","0.0003","34.9516","0.0009","89.149","0.002","86.762","0.002","62.578","0.003","3539.96","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 F Fe O13 S32 -","- C52 H37 F Fe O13 S32 -","- C104 H74 F2 Fe2 O26 S64 -","2","1","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3].PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2-= oxalate; A+= H3O+, K+; X = F, Cl, Br, and I): Influence of the Halobenzene Guest Molecules on the Crystal Structure and Superconducting Properties","Inorganic Chemistry","2012","51","","1111","1126","10.1021/ic202269x","","","0.71073","MoKα","","0.1955","0.1815","","","0.377","0.3823","","","","","","1.156","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328038","10.25276","0.00014","11.15081","0.00013","35.1363","0.0005","89.0829","0.001","86.5203","0.0011","62.6678","0.0013","3561.65","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cl Fe O13 S32 -","- C52 H37 Cl Fe O13 S32 -","- C104 H74 Cl2 Fe2 O26 S64 -","2","1","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3].PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2-= oxalate; A+= H3O+, K+; X = F, Cl, Br, and I): Influence of the Halobenzene Guest Molecules on the Crystal Structure and Superconducting Properties","Inorganic Chemistry","2012","51","","1111","1126","10.1021/ic202269x","","","0.71073","MoKα","","0.141","0.1369","","","0.3116","0.313","","","","","","1.207","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328039","10.25554","0.00017","11.16966","0.00018","35.1997","0.0005","89.1001","0.0012","86.3083","0.0012","62.7251","0.0016","3575.98","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Br Fe O13 S32 -","- C52 H37 Br Fe O13 S32 -","- C104 H74 Br2 Fe2 O26 S64 -","2","1","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3].PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2-= oxalate; A+= H3O+, K+; X = F, Cl, Br, and I): Influence of the Halobenzene Guest Molecules on the Crystal Structure and Superconducting Properties","Inorganic Chemistry","2012","51","","1111","1126","10.1021/ic202269x","","","0.71073","MoKα","","0.1915","0.1884","","","0.4307","0.4318","","","","","","1.155","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328040","10.1637","0.0003","19.7251","0.0006","35.6405","0.0011","90","","93.895","0.003","90","","7128.7","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 Fe I K O12 S32 -","- C52 H37 Fe I K O12 S32 -","- C208 H148 Fe4 I4 K4 O48 S128 -","4","0.5","","Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García","The Series of Molecular Conductors and Superconductors ET4[AFe(C2O4)3].PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2-= oxalate; A+= H3O+, K+; X = F, Cl, Br, and I): Influence of the Halobenzene Guest Molecules on the Crystal Structure and Superconducting Properties","Inorganic Chemistry","2012","51","","1111","1126","10.1021/ic202269x","","","0.71073","MoKα","","0.0466","0.033","","","0.0782","0.0812","","","","","","1.021","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328041","12.384","0.002","13.3307","0.0019","15.2393","0.0014","65.483","0.011","70.914","0.012","83.701","0.015","2162.2","0.6","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H94 Cl8 Mn4 N4 O16 -","- C84 H94 Cl8 Mn4 N4 O16 -","- C84 H94 Cl8 Mn4 N4 O16 -","1","0.5","","Masakazu Hirotsu; Yuu Shimizu; Naoto Kuwamura; Rika Tanaka; Isamu Kinoshita; Ryoichi Takada; Yoshio Teki; Hideki Hashimoto","Anion-Controlled Assembly of Four Manganese Ions: Structural, Magnetic, and Electrochemical Properties of Tetramanganese Complexes Stabilized by Xanthene-Bridged Schiff Base Ligands","Inorganic Chemistry","2012","51","","766","768","10.1021/ic202287k","","","0.7107","MoKα","","0.1014","0.0713","","","0.1586","0.1728","","","","","","1.087","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328042","13.72","0.0019","33.82","0.005","15.37","0.002","90","","90","","90","","7131.8","1.7","120","2","120","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C70 H80 Cl4 Mn4 N4 O18 -","- C70 H64 Cl4 Mn4 N4 O18 -","- C280 H256 Cl16 Mn16 N16 O72 -","4","0.5","","Masakazu Hirotsu; Yuu Shimizu; Naoto Kuwamura; Rika Tanaka; Isamu Kinoshita; Ryoichi Takada; Yoshio Teki; Hideki Hashimoto","Anion-Controlled Assembly of Four Manganese Ions: Structural, Magnetic, and Electrochemical Properties of Tetramanganese Complexes Stabilized by Xanthene-Bridged Schiff Base Ligands","Inorganic Chemistry","2012","51","","766","768","10.1021/ic202287k","","","0.7107","MoKα","","0.0845","0.0795","","","0.1647","0.1677","","","","","","1.161","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328043","13.6653","0.0006","12.842","0.0006","14.0734","0.0007","90","","90","","90","","2469.7","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H24 N10 O4 S2 Zn -","- C20 H24 N10 O4 S2 Zn -","- C80 H96 N40 O16 S8 Zn4 -","4","1","","Fangfang Pan; Ruimin Wang; Ulli Englert","Switching from Bonding to Nonbonding: Temperature-Dependent Metal Coordination in a Zinc(II) Sulfadiazine Complex","Inorganic Chemistry","2012","51","","769","771","10.1021/ic202303c","","","0.71073","MoKα","","0.051","0.027","","","","0.07","","","","","","1.0628","","","","has coordinates","191013","2020-10-21","18:00:00",""
"4328044","13.8","0.004","12.646","0.004","14.13","0.004","90","","90","","90","","2465.9","1.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H24 N10 O4 S2 Zn -","- C20 H24 N10 O4 S2 Zn -","- C80 H96 N40 O16 S8 Zn4 -","4","1","","Fangfang Pan; Ruimin Wang; Ulli Englert","Switching from Bonding to Nonbonding: Temperature-Dependent Metal Coordination in a Zinc(II) Sulfadiazine Complex","Inorganic Chemistry","2012","51","","769","771","10.1021/ic202303c","","","0.71073","MoKα","","0.0413","0.0344","","","0.0779","0.0821","","","","","","1.037","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328045","13.879","0.005","12.582","0.004","14.203","0.005","90","","90","","90","","2480.2","1.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H24 N10 O4 S2 Zn -","- C20 H24 N10 O4 S2 Zn -","- C80 H96 N40 O16 S8 Zn4 -","4","1","","Fangfang Pan; Ruimin Wang; Ulli Englert","Switching from Bonding to Nonbonding: Temperature-Dependent Metal Coordination in a Zinc(II) Sulfadiazine Complex","Inorganic Chemistry","2012","51","","769","771","10.1021/ic202303c","","","0.71073","MoKα","","0.0511","0.0366","","","0.0765","0.0829","","","","","","1.014","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328046","7.1835","0.0007","18.774","0.0017","10.6709","0.001","90","","108.66","0.001","90","","1363.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 As N11 -","- C10 H8 As N11 -","- C40 H32 As4 N44 -","4","1","","Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe","Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons","Inorganic Chemistry","2012","51","","1127","1141","10.1021/ic202307a","","","0.71073","MoKα","","0.0262","0.0222","","","0.051","0.0522","","","","","","1.082","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328047","7.2323","0.0001","18.6697","0.0002","10.5071","0.0001","90","","107.27","0.001","90","","1354.76","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N11 Sb -","- C10 H8 N11 Sb -","- C40 H32 N44 Sb4 -","4","1","","Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe","Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons","Inorganic Chemistry","2012","51","","1127","1141","10.1021/ic202307a","","","0.71073","MoKα","","0.0185","0.0148","","","0.0343","0.0356","","","","","","1.068","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328048","8.1937","0.0006","24.0269","0.0018","13.575","0.001","90","","90.985","0.001","90","","2672.1","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Bi N12 P -","- C24 H20 Bi N12 P -","- C96 H80 Bi4 N48 P4 -","4","1","","Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe","Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons","Inorganic Chemistry","2012","51","","1127","1141","10.1021/ic202307a","","","0.71073","MoKα","","0.0327","0.0236","","","0.0469","0.0502","","","","","","1.037","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328049","8.9891","0.0005","22.1991","0.0012","10.9374","0.0006","90","","103.604","0.001","90","","2121.3","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Bi2 N26 -","- C40 H32 Bi2 N26 -","- C80 H64 Bi4 N52 -","2","0.5","","Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe","Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons","Inorganic Chemistry","2012","51","","1127","1141","10.1021/ic202307a","","","0.71073","MoKα","","0.0356","0.0282","","","0.0599","0.063","","","","","","1.065","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328050","11.798","0.002","22.286","0.004","21.024","0.004","90","","102.078","0.003","90","","5405.5","1.7","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Bi N17 P2 -","- C58 H48 Bi N17 P2 -","- C232 H192 Bi4 N68 P8 -","4","1","","Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe","Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons","Inorganic Chemistry","2012","51","","1127","1141","10.1021/ic202307a","","","0.71073","MoKα","","0.0507","0.0369","","","0.0871","0.0986","","","","","","1.012","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328051","19.94","0.0017","20.0602","0.0017","16.6929","0.0015","90","","90","","90","","6677.2","1","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C72 H60 Bi N17 P4 -","- C72 H60 Bi N17 P4 -","- C288 H240 Bi4 N68 P16 -","4","1","","Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe","Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons","Inorganic Chemistry","2012","51","","1127","1141","10.1021/ic202307a","","","0.71073","MoKα","","0.0732","0.0507","","","0.1088","0.1145","","","","","","1.015","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328052","13.3429","0.0009","22.6779","0.0016","22.0466","0.0015","90","","96.948","0.001","90","","6622.1","0.8","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe","Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons","Inorganic Chemistry","2012","51","","1127","1141","10.1021/ic202307a","","","0.71073","MoKα","","0.0751","0.04","","","0.0665","0.0754","","","","","","1.006","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328053","18.1721","0.0002","27.0832","0.0003","25.6972","0.0002","90","","103.306","0.001","90","","12307.6","0.2","130","2","130","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H80.5 As2 K8.5 N4 Na O106 Tb2 W19 -","- C24 As2 K8.5 N4 Na O115.5 Tb2 W19 -","- C96 As8 K34 N16 Na4 O462 Tb8 W76 -","4","1","","Chris Ritchie; Valérie Baslon; Evan G. Moore; Christian Reber; Colette Boskovic","Sensitization of Lanthanoid Luminescence by Organic and Inorganic Ligands in Lanthanoid-Organic-Polyoxometalates","Inorganic Chemistry","2012","51","","1142","1151","10.1021/ic202349u","","","1.54184","CuKα","","0.0529","0.0408","","","0.0927","0.0962","","","","","","0.96","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4328054","32.4845","0.0009","22.5775","0.0006","41.6085","0.0013","90","","106.041","0.003","90","","29328.3","1.5","130","2","130","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C72 H212 As4 K4 Li4 N12 O236 Tb8 W38 -","- C72 As4 K4 N12 O227.6 Tb8 W38 -","- C288 As16 K16 N48 O910.4 Tb32 W152 -","4","0.5","","Chris Ritchie; Valérie Baslon; Evan G. Moore; Christian Reber; Colette Boskovic","Sensitization of Lanthanoid Luminescence by Organic and Inorganic Ligands in Lanthanoid-Organic-Polyoxometalates","Inorganic Chemistry","2012","51","","1142","1151","10.1021/ic202349u","","","1.54184","CuKα","","0.058","0.0466","","","0.1357","0.1401","","","","","","1.057","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328055","45.727","0.004","22.4111","0.0013","32.497","0.003","90","","118.404","0.01","90","","29294","5","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H204 As4 Eu9.67 K7 N12 O231.75 W38 -","- C72 H48 As4 Eu9.702 K4.1 N12 O218.02 W38 -","- C288 H192 As16 Eu38.808 K16.4 N48 O872.08 W152 -","4","0.5","","Chris Ritchie; Valérie Baslon; Evan G. Moore; Christian Reber; Colette Boskovic","Sensitization of Lanthanoid Luminescence by Organic and Inorganic Ligands in Lanthanoid-Organic-Polyoxometalates","Inorganic Chemistry","2012","51","","1142","1151","10.1021/ic202349u","","","1.54184","CuKα","","0.1739","0.0598","","","0.1151","0.1328","","","","","","0.712","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328056","8.66","0.0011","10.7859","0.0014","29.91","0.004","90","","97.534","0.002","90","","2769.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Hg N3 O6 Se3 -","- C24 H27 Hg N3 O6 Se3 -","- C96 H108 Hg4 N12 O24 Se12 -","4","1","","Abhishek Kumar; Jai Deo Singh","An Organoselenium-Based Highly Sensitive and Selective Fluorescent ""Turn-On"" Probe for the Hg2+ Ion","Inorganic Chemistry","2012","51","","772","774","10.1021/ic2023902","","","0.71073","MoKα","","0.0725","0.0444","","","0.0929","0.1028","","","","","","0.996","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328057","19.5246","0.0014","20.3746","0.0014","20.7825","0.0015","90","","114.544","0.004","90","","7520.4","1","228","2","228","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H62 N2 O2 P2 Si2 Sr -","- C26 H62 N2 O2 P2 Si2 Sr -","- C208 H496 N16 O16 P16 Si16 Sr8 -","8","2","","Diane A. Dickie; Kevin B. Gislason; Richard A. Kemp","Formation of Phosphino-Substituted Isocyanate by Reaction of CO2 with Group 2 Complexes Based on the (Me3Si)(i-Pr2P)NH Ligand","Inorganic Chemistry","2012","51","","1162","1169","10.1021/ic202399z","","","0.71073","MoKα","","0.084","0.0412","","","0.1025","0.1262","","","","","","1.061","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328058","19.4397","0.0006","20.1683","0.0006","20.6361","0.0006","90","","114.947","0.002","90","","7335.8","0.4","228","2","228","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H62 Ca N2 O2 P2 Si2 -","- C26 H62 Ca N2 O2 P2 Si2 -","- C208 H496 Ca8 N16 O16 P16 Si16 -","8","2","","Diane A. Dickie; Kevin B. Gislason; Richard A. Kemp","Formation of Phosphino-Substituted Isocyanate by Reaction of CO2 with Group 2 Complexes Based on the (Me3Si)(i-Pr2P)NH Ligand","Inorganic Chemistry","2012","51","","1162","1169","10.1021/ic202399z","","","0.71073","MoKα","","0.0848","0.0468","","","0.1274","0.1621","","","","","","1.061","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328059","12.6163","0.0006","21.4649","0.0011","15.134","0.0005","90","","126.854","0.003","90","","3279.4","0.3","228","2","228","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Mg N2 O P2 Si2 -","- C22 H54 Mg N2 O P2 Si2 -","- C88 H216 Mg4 N8 O4 P8 Si8 -","4","1","","Diane A. Dickie; Kevin B. Gislason; Richard A. Kemp","Formation of Phosphino-Substituted Isocyanate by Reaction of CO2 with Group 2 Complexes Based on the (Me3Si)(i-Pr2P)NH Ligand","Inorganic Chemistry","2012","51","","1162","1169","10.1021/ic202399z","","","0.71073","MoKα","","0.0861","0.0459","","","0.1271","0.1627","","","","","","1.069","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328060","11.8848","0.0005","18.5826","0.0009","20.5032","0.0009","90","","90","","90","","4528.1","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H78 Mg2 N3 P3 Si3 -","- C31 H78 Mg2 N3 P3 Si3 -","- C124 H312 Mg8 N12 P12 Si12 -","4","1","","Diane A. Dickie; Kevin B. Gislason; Richard A. Kemp","Formation of Phosphino-Substituted Isocyanate by Reaction of CO2 with Group 2 Complexes Based on the (Me3Si)(i-Pr2P)NH Ligand","Inorganic Chemistry","2012","51","","1162","1169","10.1021/ic202399z","","","0.71073","MoKα","","0.0437","0.0347","","","0.0844","0.09","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328061","8.3294","0.0003","8.4283","0.0003","11.9681","0.0004","74.085","0.002","89.399","0.002","89.489","0.002","807.93","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H28 N2 P2 -","- C13 H28 N2 P2 -","- C26 H56 N4 P4 -","2","1","","Diane A. Dickie; Kevin B. Gislason; Richard A. Kemp","Formation of Phosphino-Substituted Isocyanate by Reaction of CO2 with Group 2 Complexes Based on the (Me3Si)(i-Pr2P)NH Ligand","Inorganic Chemistry","2012","51","","1162","1169","10.1021/ic202399z","","","0.71073","MoKα","","0.0577","0.0394","","","0.1063","0.1259","","","","","","1.097","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328062","12.019","0.005","12.521","0.005","21.999","0.009","91.31","0.04","102.14","0.04","102.33","0.04","3154","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.8 H82.6 Co4 N11 O35 -","- C31.8 H82.2 Co4 N11 O35 -","- C63.6 H164.4 Co8 N22 O70 -","2","1","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.0834","0.048","","","0.1257","0.1328","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328063","12.426","0.005","15.162","0.006","11.39","0.005","90","","114.88","0.04","90","","1946.8","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Co N8 Na O6 -","- C10 H24 Co N8 Na O6 -","- C40 H96 Co4 N32 Na4 O24 -","4","1","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.0659","0.0353","","","0.077","0.0815","","","","","","1.009","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328064","51.59","0.02","14.994","0.005","21.71","0.007","90","","109.83","0.04","90","","15798","10","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31.2 H76.08 Cl0.75 Co6 La1.5 N16.35 O45.15 -","- C31.2 H73.38 Cl0.75 Co6 La1.5 N16.35 O45.15 -","- C249.6 H587.04 Cl6 Co48 La12 N130.8 O361.2 -","8","1","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.1398","0.0662","","","0.1656","0.1907","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328065","14.972","0.004","14.972","0.004","22.3","0.009","90","","90","","120","","4329","2","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C36 H71.91 Cl0.416 Co6.584 N23 O51.12 Pr2.416 -","- C36 H69 Cl0.416 Co6.584 N23 O49.41 Pr2.416 -","- C72 H138 Cl0.832 Co13.168 N46 O98.82 Pr4.832 -","2","0.166667","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.06","0.0323","","","0.0898","0.1003","","","","","","1.06","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328066","13.208","0.004","13.742","0.004","22.143","0.008","86.8","0.04","81.29","0.04","62.31","0.05","3517","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.917 H83.21 Cl2.7 Co6 N9.3 Nd O44.94 -","- C30.917 H79.068 Cl2.7 Co6 N9.3 Nd O44.94 -","- C61.834 H158.136 Cl5.4 Co12 N18.6 Nd2 O89.88 -","2","1","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.1463","0.0671","","","0.1383","0.152","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328067","14.92","0.006","14.92","0.006","22.25","0.009","90","","90","","120","","4289","3","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C36 H72.04 Cl0.44 Co6.56 N23 O51.56 Sm2.44 -","- C36 H69 Cl0.4408 Co6.559 N23 O49.76 Sm2.441 -","- C72 H138 Cl0.8816 Co13.118 N46 O99.52 Sm4.882 -","2","0.166667","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.1092","0.0389","","","0.0832","0.1014","","","","","","1","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328068","13.197","0.004","13.729","0.005","22.221","0.007","86.94","0.03","81.49","0.03","62.16","0.04","3520","2","100","3","100","3","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H84.31 Cl2.6 Co6 Gd N9.4 O44.75 -","- C31.493 H80.972 Cl2.6 Co6 Gd N9.4 O44.74 -","- C62.986 H161.944 Cl5.2 Co12 Gd2 N18.8 O89.48 -","2","1","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.0733","0.0414","","","0.0861","0.091","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328069","15.021","0.003","15.021","0.003","22.362","0.006","90","","90","","120","","4369.6","1.7","220","2","220","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C36 H71.35 Cl0.35 Co6.656 N23 O50.54 Tb2.344 -","- C36 H69 Cl0.3436 Co6.656 N23 O49.16 Tb2.344 -","- C72 H138 Cl0.6872 Co13.312 N46 O98.32 Tb4.688 -","2","0.166667","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.0561","0.0312","","","0.0748","0.0802","","","","","","1.008","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328070","14.844","0.004","14.844","0.004","22.236","0.008","90","","90","","120","","4243","2","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C72 H143.9 Cl0.54 Co13.45 Ho4.54 N46 O101.1 -","- C72 H138 Cl0.54 Co13.46 Ho4.54 N46 O98.92 -","- C72 H138 Cl0.54 Co13.46 Ho4.54 N46 O98.92 -","1","0.0833333","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.0663","0.0315","","","0.0792","0.0914","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328071","15.225","0.005","21.585","0.006","23.839","0.007","90","","90","","90","","7834","4","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C31 H71 Cl3 Co6 Er N11.5 O38.25 -","- C31 H61.5 Cl3 Co6 Er N11.5 O38.25 -","- C124 H246 Cl12 Co24 Er4 N46 O153 -","4","0.5","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.104","0.0691","","","0.2093","0.2336","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328072","12.453","0.004","12.453","0.004","22.078","0.008","90","","90","","120","","2965.1","1.7","110","2","110","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C24 H69 Cl1.48 Co6 N10.52 O43.48 Tm -","- C24 H69 Cl1.48 Co6 N10.52 O43.48 Tm -","- C48 H138 Cl2.96 Co12 N21.04 O86.96 Tm2 -","2","0.166667","","George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios","2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters","Inorganic Chemistry","2012","51","","1170","1179","10.1021/ic2024007","","","0.71073","MoKα","","0.095","0.0342","","","0.0336","0.0362","","","","","","0.813","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328073","22.311","0.0002","33.0752","0.0005","23.0088","0.0003","90","","117.063","0.0008","90","","15120","0.3","183","1","183","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C168 Cr12 O104 Si W12 -","- C168 Cr12 O104 Si W12 -","- C336 Cr24 O208 Si2 W24 -","2","0.5","","Sayaka Uchida; Aldes Lesbani; Yoshiyuki Ogasawara; Noritaka Mizuno","Ionic Crystals [M3O(OOCC6H5)6(H2O)3]4[α-SiW12O40] (M = Cr, Fe) as Heterogeneous Catalysts for Pinacol Rearrangement","Inorganic Chemistry","2012","51","","775","777","10.1021/ic2025186","","","0.71069","MoKα","","","0.1043","","","","0.3298","","","","","","1.174","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328074","22.4142","0.0002","33.2833","0.0004","22.9409","0.0003","90","","116.766","0.0004","90","","15280.5","0.3","183","1","183","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C168 Fe12 O104 Si W12 -","- C168 Fe12 O104 Si W12 -","- C336 Fe24 O208 Si2 W24 -","2","0.5","","Sayaka Uchida; Aldes Lesbani; Yoshiyuki Ogasawara; Noritaka Mizuno","Ionic Crystals [M3O(OOCC6H5)6(H2O)3]4[α-SiW12O40] (M = Cr, Fe) as Heterogeneous Catalysts for Pinacol Rearrangement","Inorganic Chemistry","2012","51","","775","777","10.1021/ic2025186","","","0.71069","MoKα","","","0.1191","","","","0.3733","","","","","","1.194","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328075","11.8024","0.0002","15.8322","0.0002","13.0317","0.0002","90","","95.488","0.001","90","","2423.92","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2(C12H8N)","","","- C24 H36 Cr N4 -","- C24 H36 Cr N4 -","- C96 H144 Cr4 N16 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.0509","0.042","","","0.1047","0.1096","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328076","7.5386","0.0005","13.6533","0.0009","16.25","0.001","90","","90","","90","","1672.56","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCr(NiPr2)2Cl","","","- C12 H28 Cl Cr N3 -","- C12 H28 Cl Cr N3 -","- C48 H112 Cl4 Cr4 N12 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0284","0.0257","","","0.0628","0.0639","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328077","13.4006","0.0004","10.659","0.0004","13.8651","0.0004","90","","117.766","0.002","90","","1752.42","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2(CN)","","","- C13 H28 Cr N4 -","- C13 H28 Cr N4 -","- C52 H112 Cr4 N16 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.06","0.0437","","","0.1122","0.121","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328078","7.8239","0.0001","24.3142","0.0003","11.2038","0.0001","90","","96.396","0.001","90","","2118.05","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2(CO2Ph)","","","- C19 H33 Cr N3 O2 -","- C19 H33 Cr N3 O2 -","- C76 H132 Cr4 N12 O8 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.0355","0.0326","","","0.0907","0.0931","","","","","","1.047","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328079","8.5469","0.0007","17.4862","0.0013","14.7734","0.0011","90","","103.051","0.001","90","","2150.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2(Indolyl)","","","- C20 H34 Cr N4 -","- C20 H34 Cr N4 -","- C80 H136 Cr4 N16 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0674","0.0537","","","0.1421","0.1532","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328080","7.3843","0.0003","8.973","0.0004","14.0476","0.0006","106.4","","92.328","0.001","103.92","","860.78","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","NCr(NiPr2)2(NCO)","","","- C13 H28 Cr N4 O -","- C13 H28 Cr N4 O -","- C26 H56 Cr2 N8 O2 -","2","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0518","0.05","","","0.1475","0.149","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328081","7.3242","0.0018","13.727","0.003","18.375","0.005","90","","90","","90","","1847.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCr(NiPr2)2(NCS)","","","- C13 H28 Cr N4 S -","- C13 H28 Cr N4 S -","- C52 H112 Cr4 N16 S4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0459","0.0333","","","0.0713","0.0767","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328082","7.7588","0.0017","13.72","0.003","8.5521","0.0019","90","","98.168","0.003","90","","901.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","NCr(NiPr2)2(NO3)","","","- C12 H28 Cr N4 O3 -","- C12 H28 Cr N4 O3 -","- C24 H56 Cr2 N8 O6 -","2","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0877","0.0525","","","0.1102","0.1262","","","","","","0.984","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328083","7.7985","0.0009","31.603","0.004","9.2149","0.001","90","","107.453","0.001","90","","2166.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2(NPhMe)","","","- C19 H36 Cr N4 -","- C19 H36 Cr N4 -","- C76 H144 Cr4 N16 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.057","0.0395","","","0.0845","0.0985","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328084","15.7674","0.0004","13.5858","0.0003","11.1092","0.0003","90","","90","","90","","2379.73","0.1","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","NCr(NiPr2)2(OAd)","","","- C22 H42 Cr N3 O -","- C21.5 H42 Cr N3 O0.5 -","- C86 H168 Cr4 N12 O2 -","4","0.5","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.1103","0.091","","","0.1967","0.21","","","","","","1.146","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328085","14.4919","0.0002","11.7118","0.0002","12.5623","0.0002","90","","91.788","0.001","90","","2131.11","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NCr(NiPr2)2(OBn)","","","- C19 H35 Cr N3 O -","- C19 H35 Cr N3 O -","- C76 H140 Cr4 N12 O4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.0378","0.033","","","0.0878","0.0906","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328086","9.9878","0.0004","11.3329","0.0005","19.2041","0.0009","90","","92.486","0.001","90","","2171.68","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2(OC6F5)","","","- C18 H28 Cr F5 N3 O -","- C18 H28 Cr F5 N3 O -","- C72 H112 Cr4 F20 N12 O4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0448","0.0339","","","0.0884","0.0939","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328087","9.0652","0.0002","9.5288","0.0002","13.1027","0.0004","105.746","0.002","106.63","0.002","98.91","0.001","1010.05","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","NCr(NiPr2)2(OPh)","","","- C18 H33 Cr N3 O -","- C18 H33 Cr N3 O -","- C36 H66 Cr2 N6 O2 -","2","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.0453","0.0406","","","0.1084","0.1124","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328088","7.8856","0.001","13.0511","0.0016","21.72","0.003","90","","90","","90","","2235.3","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 Cr F3 N3 O -","- C19 H32 Cr F3 N3 O -","- C76 H128 Cr4 F12 N12 O4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0567","0.0519","","","0.1224","0.1241","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328089","9.0368","0.0016","9.1534","0.0016","25.792","0.005","90","","93.215","0.002","90","","2130.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2(OPhCl)","","","- C18 H32 Cl Cr N3 O -","- C18 H32 Cl Cr N3 O -","- C72 H128 Cl4 Cr4 N12 O4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0919","0.0845","","","0.2201","0.223","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328090","10.266","0.003","18.021","0.005","11.124","0.003","90","","90","","90","","2058","1","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","NCr(NiPr2)2(OPhF)","","","- C18 H32 Cr F N3 O -","- C18 H32 Cr F N3 O -","- C72 H128 Cr4 F4 N12 O4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.1184","0.0832","","","0.1954","0.2138","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328091","7.9577","0.0005","9.8405","0.0005","14.6936","0.001","94.548","0.004","97.378","0.004","106.806","0.004","1084.11","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","NCr(NiPr2)2(OPhOMe)","","","- C19 H35 Cr N3 O2 -","- C19 H35 Cr N3 O2 -","- C38 H70 Cr2 N6 O4 -","2","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.1264","0.0657","","","0.1444","0.1723","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328092","15.7327","0.0014","9.1829","0.0008","15.5065","0.0014","90","","99.327","0.001","90","","2210.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NCr(NiPr2)2(OPhSMe)","","","- C19 H35 Cr N3 O S -","- C19 H35 Cr N3 O S -","- C76 H140 Cr4 N12 O4 S4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0833","0.0591","","","0.1487","0.1651","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328093","16.4534","0.0009","9.3648","0.0005","14.8044","0.0008","90","","89.999","0.001","90","","2281.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NCr(NiPr2)2(OPth)","","","- C20 H32 Cr N4 O3 -","- C20 H32 Cr N4 O3 -","- C80 H128 Cr4 N16 O12 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0496","0.0444","","","0.129","0.1331","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328094","15.4879","0.0007","9.8496","0.0004","20.4708","0.0006","90","","90","","90","","3122.8","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H43 Cr N3 O Si -","- C30 H43 Cr N3 O Si -","- C120 H172 Cr4 N12 O4 Si4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.0996","0.0615","","","0.1326","0.152","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328095","13.2356","0.0006","9.6844","0.0004","17.2605","0.0006","90","","91.338","0.004","90","","2211.83","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cr F6 N3 O -","- C16 H31 Cr F6 N3 O -","- C64 H124 Cr4 F24 N12 O4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.071","0.0524","","","0.135","0.147","","","","","","1.028","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328096","9.1995","0.0004","9.6119","0.0004","12.5044","0.0004","86.612","0.003","87.955","0.003","65.425","0.002","1003.71","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","NCr(NiPr2)2(OTf)","","","- C13 H28 Cr F3 N3 O3 S -","- C13 H28 Cr F3 N3 O3 S -","- C26 H56 Cr2 F6 N6 O6 S2 -","2","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0762","0.0582","","","0.1585","0.1698","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328097","9.1727","0.001","19.273","0.002","11.0466","0.0011","90","","102.896","0.002","90","","1903.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2(Pyr)","","","- C16 H32 Cr N4 -","- C16 H32 Cr N4 -","- C64 H128 Cr4 N16 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0518","0.0344","","","0.0802","0.0873","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328098","8.482","0.0003","13.6447","0.0007","23.4931","0.0008","90","","90","","90","","2718.96","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCr(NiPr2)2(Pyr-Ar(CF3)2)","","","- C24 H34 Cr F6 N4 -","- C24 H34 Cr F6 N4 -","- C96 H136 Cr4 F24 N16 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.104","0.0709","","","0.172","0.198","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328099","8.377","0.0001","10.3537","0.0002","14.1444","0.0002","93.408","0.001","94.214","0.001","100.389","0.001","1200.1","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","NCr(NiPr2)2(Pyr-C6F5)","","","- C22 H31 Cr F5 N4 -","- C22 H31 Cr F5 N4 -","- C44 H62 Cr2 F10 N8 -","2","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0707","0.0407","","","0.0911","0.0989","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328100","7.5941","0.0005","14.5469","0.0009","18.5331","0.0011","90","","90.988","0.001","90","","2047.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NCr(NiPr2)2(SPh)","","","- C18 H33 Cr N3 S -","- C18 H33 Cr N3 S -","- C72 H132 Cr4 N12 S4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0417","0.0332","","","0.0815","0.0866","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328101","7.5316","0.0005","13.677","0.0009","16.5211","0.0011","90","","90","","90","","1701.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCr(NiPr2)2Br","","","- C12 H28 Br Cr N3 -","- C12 H28 Br Cr N3 -","- C48 H112 Br4 Cr4 N12 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0279","0.0228","","","0.0488","0.0504","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328102","7.1868","0.0007","8.182","0.0008","26.653","0.003","90","","90.621","0.001","90","","1567.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2F","","","- C12 H28 Cr F N3 -","- C12 H28 Cr F N3 -","- C48 H112 Cr4 F4 N12 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0344","0.0287","","","0.0753","0.0786","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328103","10.7858","0.0002","13.4511","0.0003","12.3413","0.0002","90","","93.477","0.001","90","","1787.19","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NCr(NiPr2)2I","","","- C12 H28 Cr I N3 -","- C12 H28 Cr I N3 -","- C48 H112 Cr4 I4 N12 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.0339","0.0307","","","0.076","0.0777","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328104","8.5198","0.0005","13.4737","0.0008","21.4888","0.0014","90","","90","","90","","2466.8","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H41 Cr N3 O -","- C22 H40.5 Cr N3 O -","- C88 H162 Cr4 N12 O4 -","4","0.5","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0493","0.0377","","","0.0981","0.1054","","","","","","1.051","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328105","17.71","0.002","15.4028","0.0017","14.0834","0.0016","90","","106.34","0.001","90","","3686.5","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H34 Cr N4 -","- C14 H34 Cr N4 -","- C112 H272 Cr8 N32 -","8","2","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0627","0.0443","","","0.1108","0.1208","","","","","","1.024","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328106","11.1208","0.0007","26.2449","0.0012","10.9484","0.0007","90","","97.156","0.005","90","","3170.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Au2 N10 O12 -","- C26 H22 Au2 N10 O12 -","- C104 H88 Au8 N40 O48 -","4","1","","Ahmed S. Abouelwafa; Christopher E. Anson; Andreas Hauser; Howard H. Patterson; François Baril-Robert; Xiaobo Li; Annie K. Powell","Photophysical Properties of {[Au(CN)2]-}2 Dimers Trapped in a Supramolecular Electron-Acceptor Organic Framework","Inorganic Chemistry","2012","51","","1294","1301","10.1021/ic201109u","","","0.71073","MoKα","","0.0726","0.0678","","","0.1982","0.203","","","","","","1.065","","","","has coordinates","188927","2020-10-21","18:00:00",""
"4328107","16.27185","0.00019","15.36276","0.00012","15.2615","0.0002","90","","114.579","0.0015","90","","3469.38","0.08","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Al N3 O14 -","- C35 H26 Al N3 O14 -","- C140 H104 Al4 N12 O56 -","4","1","","Virginie Béreau; Carine Duhayon; Alix Sournia-Saquet; Jean-Pascal Sutter","Tuning of the Emission Efficiency and HOMO-LUMO Band Gap for Ester-Functionalized {Al(salophen)(H2O)2}+ Blue Luminophors","Inorganic Chemistry","2012","51","","1309","1318","10.1021/ic201208c","","","1.5418","CuKα","","0.0723","0.0669","","0.0683","0.0655","0.0649","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328108","11.7907","0.0003","12.5569","0.0003","14.0286","0.0004","87.45","0.002","84.788","0.002","62.541","0.003","1835.38","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 Al N5 O16.5 -","- C37 H31.5 Al N5 O16.5 -","- C74 H63 Al2 N10 O33 -","2","1","","Virginie Béreau; Carine Duhayon; Alix Sournia-Saquet; Jean-Pascal Sutter","Tuning of the Emission Efficiency and HOMO-LUMO Band Gap for Ester-Functionalized {Al(salophen)(H2O)2}+ Blue Luminophors","Inorganic Chemistry","2012","51","","1309","1318","10.1021/ic201208c","","","1.5418","CuKα","","0.0555","0.0484","","0.0434","0.0417","0.0413","","","","","","1.259","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328109","14.866","0.004","13.167","0.003","17.161","0.004","90","","108.725","0.004","90","","3181.3","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H46 F6 Ir2 N8 O6 S2 -","- C60 H46 F6 Ir2 N8 O6 S2 -","- C120 H92 F12 Ir4 N16 O12 S4 -","2","0.5","","Vadapalli Chandrasekhar; Tanima Hajra; Jitendra K. Bera; S.M. Wahidur Rahaman; Nisa Satumtira; Oussama Elbjeirami; Mohammad A. Omary","Ligand-Bridged Dinuclear Cyclometalated IrIII Complexes: From Metallamacrocycles to Discrete Dimers","Inorganic Chemistry","2012","51","","1319","1329","10.1021/ic2012952","","","0.71073","MoKα","","0.0435","0.0358","","","0.0938","0.0985","","","","","","1.041","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328110","21.1749","0.0017","19.4858","0.0017","19.0358","0.0017","90","","97.544","0.002","90","","7786.4","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H68 F6 Ir2 N12 O6 S2 -","- C78 H68 F6 Ir2 N12 O6 S2 -","- C312 H272 F24 Ir8 N48 O24 S8 -","4","0.5","","Vadapalli Chandrasekhar; Tanima Hajra; Jitendra K. Bera; S.M. Wahidur Rahaman; Nisa Satumtira; Oussama Elbjeirami; Mohammad A. Omary","Ligand-Bridged Dinuclear Cyclometalated IrIII Complexes: From Metallamacrocycles to Discrete Dimers","Inorganic Chemistry","2012","51","","1319","1329","10.1021/ic2012952","","","0.71073","MoKα","","0.0524","0.0366","","","0.08","0.0864","","","","","","0.964","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328111","19.2549","0.0015","42.139","0.003","10.8346","0.0009","90","","103.904","0.002","90","","8533.4","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H52 F6 Ir2 N8 O9.5 S2 -","- C70 H52 F6 Ir2 N8 O9.5 S2 -","- C280 H208 F24 Ir8 N32 O38 S8 -","4","1","","Vadapalli Chandrasekhar; Tanima Hajra; Jitendra K. Bera; S.M. Wahidur Rahaman; Nisa Satumtira; Oussama Elbjeirami; Mohammad A. Omary","Ligand-Bridged Dinuclear Cyclometalated IrIII Complexes: From Metallamacrocycles to Discrete Dimers","Inorganic Chemistry","2012","51","","1319","1329","10.1021/ic2012952","","","0.71073","MoKα","","0.1823","0.1067","","","0.2786","0.3231","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328112","17.41","0.0016","14.6706","0.0014","22.612","0.002","90","","91.85","0.002","90","","5772.4","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H44 Cl2 F6 Ir2 N8 O6 S2 -","- C59 H44 Cl2 F6 Ir2 N8 O6 S2 -","- C236 H176 Cl8 F24 Ir8 N32 O24 S8 -","4","1","","Vadapalli Chandrasekhar; Tanima Hajra; Jitendra K. Bera; S.M. Wahidur Rahaman; Nisa Satumtira; Oussama Elbjeirami; Mohammad A. Omary","Ligand-Bridged Dinuclear Cyclometalated IrIII Complexes: From Metallamacrocycles to Discrete Dimers","Inorganic Chemistry","2012","51","","1319","1329","10.1021/ic2012952","","","0.71073","MoKα","","0.0497","0.0408","","","0.1009","0.1063","","","","","","1.052","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328113","12.4243","0.0005","18.9943","0.0007","10.4978","0.0005","90","","90","","90","","2477.39","0.18","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H48 La2 N32 O48 Zn8 -","- C64 H32 La2 N32 O48 Zn8 -","- C64 H32 La2 N32 O48 Zn8 -","1","0.25","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.0761","0.0667","","","0.1412","0.146","","","","","","1.124","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328114","12.3868","0.0002","18.8433","0.0003","10.6414","0.0002","90","","90","","90","","2483.79","0.07","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H37 N16 O24 Pr Zn4 -","- C32 H16 N16 O24 Pr Zn4 -","- C64 H32 N32 O48 Pr2 Zn8 -","2","0.5","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.0653","0.0473","","","0.0975","0.1077","","","","","","1.039","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328115","12.303","0.0004","18.5769","0.0007","10.6212","0.0004","90","","90","","90","","2427.49","0.15","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H74 Eu2 N32 O48 Zn8 -","- C64 H32 Eu2 N32 O48 Zn8 -","- C64 H32 Eu2 N32 O48 Zn8 -","1","0.25","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.0734","0.0537","","","0.0966","0.1064","","","","","","1.007","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328116","12.2981","0.0002","18.5449","0.0003","10.6409","0.0002","90","","90","","90","","2426.84","0.07","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H74 Gd2 N32 O48 Zn8 -","- C64 H32 Gd2 N32 O48 Zn8 -","- C64 H32 Gd2 N32 O48 Zn8 -","1","0.25","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.062","0.0467","","","0.0917","0.0995","","","","","","1.046","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328117","12.3365","0.0001","18.4776","0.0002","10.6822","0.0001","90","","90","","90","","2435","0.04","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H37 N16 O24 Tb Zn4 -","- C32 H16 N16 O24 Tb Zn4 -","- C64 H32 N32 O48 Tb2 Zn8 -","2","0.5","","Shu-Mu Li; Xiang-Jun Zheng; Da-Qiang Yuan; Ayjamal Ablet; Lin-Pei Jin","In Situ Formed White-Light-Emitting Lanthanide-Zinc-Organic Frameworks","Inorganic Chemistry","2012","51","","1201","1203","10.1021/ic201425v","","","0.71073","MoKα","","0.0354","0.0303","","","0.0782","0.0824","","","","","","1.057","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328118","45.425","0.004","18.7598","0.0013","24.955","0.002","90","","121.731","0.002","90","","18087","3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75.5 H87.75 Ge4 N12 Ni2 O16.5 S10 -","- C75.5 H48 Ge4 N12 Ni2 O16.5 S10 -","- C604 H384 Ge32 N96 Ni16 O132 S80 -","8","1","","Wen-Qin Mu; Qin-Yu Zhu; Li-Sheng You; Xu Zhang; Wen Luo; Guo-Qing Bian; Jie Dai","Ionic Crystals of {[Ni(phen)3]2Ge4S10}.xSol, Showing Solid-State Solvatochromism and Rapid Solvent-Induced Recrystallization","Inorganic Chemistry","2012","51","","1330","1335","10.1021/ic2014682","","","0.71075","MoKα","","0.1293","0.1045","","","0.1845","0.1956","","","","","","1.179","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4328119","50.563","0.004","14.6406","0.0011","25.0692","0.0019","90","","95.38","0.002","90","","18476","2","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H95 Ge4 N12 Ni2 O23.5 S10 -","- C72 H48 Ge4 N12 Ni2 O23.5 S10 -","- C576 H384 Ge32 N96 Ni16 O188 S80 -","8","1","","Wen-Qin Mu; Qin-Yu Zhu; Li-Sheng You; Xu Zhang; Wen Luo; Guo-Qing Bian; Jie Dai","Ionic Crystals of {[Ni(phen)3]2Ge4S10}.xSol, Showing Solid-State Solvatochromism and Rapid Solvent-Induced Recrystallization","Inorganic Chemistry","2012","51","","1330","1335","10.1021/ic2014682","","","0.71075","MoKα","","0.1234","0.0972","","","0.147","0.1582","","","","","","1.161","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4328120","10.0405","0.0006","10.0405","0.0006","10.0405","0.0006","90","","90","","90","","1012.2","0.1","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Fe2 K2 Mo O12 P2 -","- Fe2 K2 Mo0.9393 O12 P2.0727 -","- Fe8 K8 Mo3.7572 O48 P8.2908 -","4","0.333333","","Nikolay S. Slobodyanik; Kateryna V. Terebilenko; Ivan V. Ogorodnyk; Igor V. Zatovsky; Maksym Seredyuk; Vyacheslav N. Baumer; Philipp Gütlich","K2MIII2(MVIO4)(PO4)2 (MIII= Fe, Sc; MVI= Mo, W), Novel Members of the Lagbeinite-Related Family: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","1380","1385","10.1021/ic201575v","","x-ray","0.71073","MoKα","","0.0408","0.0401","","","0.0866","0.0868","","","","","","1.289","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328121","10.3372","0.0002","10.3372","0.0002","10.3372","0.0002","90","","90","","90","","1104.61","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- K2 O12 P2 Sc2 W -","- K2 O12 P2.01 Sc2 W0.99 -","- K8 O48 P8.04 Sc8 W3.96 -","4","0.333333","","Nikolay S. Slobodyanik; Kateryna V. Terebilenko; Ivan V. Ogorodnyk; Igor V. Zatovsky; Maksym Seredyuk; Vyacheslav N. Baumer; Philipp Gütlich","K2MIII2(MVIO4)(PO4)2 (MIII= Fe, Sc; MVI= Mo, W), Novel Members of the Lagbeinite-Related Family: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","1380","1385","10.1021/ic201575v","","x-ray","0.71073","MoKα","","0.0447","0.0324","","","0.0468","0.0486","","","","","","0.871","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328122","10.3179","0.0002","10.3179","0.0002","10.3179","0.0002","90","","90","","90","","1098.43","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mo O12 P2 Sc2 -","- K2 Mo0.99 O12 P2.01 Sc2 -","- K8 Mo3.96 O48 P8.04 Sc8 -","4","0.333333","","Nikolay S. Slobodyanik; Kateryna V. Terebilenko; Ivan V. Ogorodnyk; Igor V. Zatovsky; Maksym Seredyuk; Vyacheslav N. Baumer; Philipp Gütlich","K2MIII2(MVIO4)(PO4)2 (MIII= Fe, Sc; MVI= Mo, W), Novel Members of the Lagbeinite-Related Family: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","1380","1385","10.1021/ic201575v","","x-ray","0.71073","MoKα","","0.0458","0.0399","","","0.0789","0.0802","","","","","","0.969","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328123","15.1279","0.0004","8.3336","0.0003","20.7956","0.0006","90","","100.496","0.003","90","","2577.83","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","9-[6-(benzylamino)purine] pentachloroplatinate (IV)","9-[6-(benzylamino)purine] pentachloroplatinate (IV)","","- C18 H26 Cl5 N7 O2 Pt -","- C18 H26 Cl5 N7 O2 Pt -","- C72 H104 Cl20 N28 O8 Pt4 -","4","1","","Jan Vícha; Gabriel Demo; Radek Marek","Platinum-Modified Adenines: Unprecedented Protonation Behavior Revealed by NMR Spectroscopy and Relativistic Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","1371","1379","10.1021/ic201595e","","","0.71073","MoKα","","0.0287","0.0228","","","0.0619","0.0628","","","","","","1.068","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328124","31.6359","0.0019","12.8657","0.0008","13.9803","0.0008","90","","109.019","0.002","90","","5379.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 F6 Mo N2 O4 -","- C26 H26 F6 Mo N2 O4 -","- C208 H208 F48 Mo8 N16 O32 -","8","1","","Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo and Oxo-Imido Complexes of Fluorinated β-Ketiminato Ligands and Their Use in OAT Reactions","Inorganic Chemistry","2012","51","","1440","1449","10.1021/ic201681u","","","0.71073","MoKα","","0.0306","0.0251","","","0.0637","0.0685","","","","","","1.085","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328125","11.9011","0.0008","20.1516","0.0013","13.5855","0.001","90","","95.499","0.002","90","","3243.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 F6 Mo N2 O3 P -","- C32 H35 F6 Mo N2 O3 P -","- C128 H140 F24 Mo4 N8 O12 P4 -","4","1","","Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo and Oxo-Imido Complexes of Fluorinated β-Ketiminato Ligands and Their Use in OAT Reactions","Inorganic Chemistry","2012","51","","1440","1449","10.1021/ic201681u","","","0.71073","MoKα","","0.0436","0.0324","","","0.0722","0.0805","","","","","","1.076","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328126","9.7563","0.0005","25.5215","0.0013","13.4956","0.0007","90","","110.223","0.002","90","","3153.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 F6 Mo N3 O3 -","- C30 H35 F6 Mo N3 O3 -","- C120 H140 F24 Mo4 N12 O12 -","4","1","","Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo and Oxo-Imido Complexes of Fluorinated β-Ketiminato Ligands and Their Use in OAT Reactions","Inorganic Chemistry","2012","51","","1440","1449","10.1021/ic201681u","","","0.71073","MoKα","","0.0428","0.0282","","","0.0635","0.0795","","","","","","1.178","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328127","11.6011","0.0006","12.9908","0.0007","11.6276","0.0006","90","","101.049","0.002","90","","1719.88","0.16","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H44 F6 Mo N3 O2 P -","- C33 H44 F6 Mo N3 O2 P -","- C66 H88 F12 Mo2 N6 O4 P2 -","2","1","","Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo and Oxo-Imido Complexes of Fluorinated β-Ketiminato Ligands and Their Use in OAT Reactions","Inorganic Chemistry","2012","51","","1440","1449","10.1021/ic201681u","","","0.71073","MoKα","","0.0179","0.0167","","","0.0411","0.0417","","","","","","1.032","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328128","12.1333","0.0009","14.5487","0.0011","20.249","0.0014","95.261","0.003","97.153","0.003","109.447","0.003","3310.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 F6 Mo N3 O3 -","- C34 H35 F6 Mo N3 O3 -","- C136 H140 F24 Mo4 N12 O12 -","4","2","","Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo and Oxo-Imido Complexes of Fluorinated β-Ketiminato Ligands and Their Use in OAT Reactions","Inorganic Chemistry","2012","51","","1440","1449","10.1021/ic201681u","","","0.71073","MoKα","","0.0579","0.0403","","","0.1004","0.1067","","","","","","1.066","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328129","19.613","0.004","10.861","0.003","5.7978","0.0012","90","","92.922","0.016","90","","1233.4","0.5","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H24 F12 P2 Pd S6 -","- C12 H24 F12 P2 Pd S6 -","- C24 H48 F24 P4 Pd2 S12 -","2","0.25","","Emma Stephen; Alexander J. Blake; Emma Carter; David Collison; E. Stephen Davies; Ruth Edge; William Lewis; Damien M. Murphy; Claire Wilson; Robert O. Gould; Alan J. Holder; Jonathan McMaster; Martin Schröder","Redox Non-innocence of Thioether Crowns: Elucidation of the Electronic Structure of the Mononuclear Pd(III) Complexes [Pd([9]aneS~3~)~2~]^3+^ and [Pd([18]aneS~6~)]^3+^","Inorganic Chemistry","2012","51","","1450","1461","10.1021/ic2017006","","","0.71073","MoKα","","","0.0536","","","0.0649","","","","","","","1.25","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328130","11.9383","0.0012","21.693","0.002","11.3849","0.0011","90","","90","","90","","2948.4","0.5","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C16 H30 F12 N2 P2 Pd S6 -","- C16 H30 F12 N2 P2 Pd S6 -","- C64 H120 F48 N8 P8 Pd4 S24 -","4","0.5","","Emma Stephen; Alexander J. Blake; Emma Carter; David Collison; E. Stephen Davies; Ruth Edge; William Lewis; Damien M. Murphy; Claire Wilson; Robert O. Gould; Alan J. Holder; Jonathan McMaster; Martin Schröder","Redox Non-innocence of Thioether Crowns: Elucidation of the Electronic Structure of the Mononuclear Pd(III) Complexes [Pd([9]aneS~3~)~2~]^3+^ and [Pd([18]aneS~6~)]^3+^","Inorganic Chemistry","2012","51","","1450","1461","10.1021/ic2017006","","","0.71073","MoKα","","0.0469","0.0431","","","0.1062","0.1089","","","","","","1.122","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328131","10.5602","0.0011","9.1932","0.001","19.079","0.002","90","","93.787","0.002","90","","1848.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pd(III)([9]aneS3)2]3+","Palladium(III) bis 1,4,7-trithiacyclononane","","- C12 H35 Cl6 O28 Pd S6 -","- C12 H35 Cl6 O28 Pd S6 -","- C24 H70 Cl12 O56 Pd2 S12 -","2","0.5","","Emma Stephen; Alexander J. Blake; Emma Carter; David Collison; E. Stephen Davies; Ruth Edge; William Lewis; Damien M. Murphy; Claire Wilson; Robert O. Gould; Alan J. Holder; Jonathan McMaster; Martin Schröder","Redox Non-innocence of Thioether Crowns: Elucidation of the Electronic Structure of the Mononuclear Pd(III) Complexes [Pd([9]aneS~3~)~2~]^3+^ and [Pd([18]aneS~6~)]^3+^","Inorganic Chemistry","2012","51","","1450","1461","10.1021/ic2017006","","","0.71073","MoKα","","0.0467","0.0348","","","0.0758","0.0805","","","","","","1.083","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328132","9.9805","0.0002","10.62075","0.00017","18.2038","0.0004","90","","99.84","0.002","90","","1901.22","0.07","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd(III)[18]aneS6","","","- C12 H39 Cl6 O30 Pd S6 -","- C12 H39 Cl6 O30 Pd S6 -","- C24 H78 Cl12 O60 Pd2 S12 -","2","0.5","","Emma Stephen; Alexander J. Blake; Emma Carter; David Collison; E. Stephen Davies; Ruth Edge; William Lewis; Damien M. Murphy; Claire Wilson; Robert O. Gould; Alan J. Holder; Jonathan McMaster; Martin Schröder","Redox Non-innocence of Thioether Crowns: Elucidation of the Electronic Structure of the Mononuclear Pd(III) Complexes [Pd([9]aneS~3~)~2~]^3+^ and [Pd([18]aneS~6~)]^3+^","Inorganic Chemistry","2012","51","","1450","1461","10.1021/ic2017006","","","1.54184","CuKα","","0.0331","0.0322","","","0.086","0.0865","","","","","","1.091","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328133","17.6928","0.0009","14.2748","0.0009","8.0082","0.0005","90","","101.893","0.003","90","","1979.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O3 S -","- C24 H21 N3 O3 S -","- C96 H84 N12 O12 S4 -","4","1","","Ana M. García-Deibe; Jesús Sanmartín-Matalobos; Concepción González-Bello; Emilio Lence; Cristina Portela-García; Luis Martínez-Rodríguez; Matilde Fondo","Metal-Assisted Ring-Closing/Opening Process of a Chiral Tetrahydroquinazoline","Inorganic Chemistry","2012","51","","1278","1293","10.1021/ic2017038","","","0.71073","MoKα","","0.0662","0.0472","","","0.1173","0.1245","","","","","","1.136","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328134","27.248","0.003","10.2025","0.0011","17.7389","0.0019","90","","108.503","0.004","90","","4676.5","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 N6 Ni O10 S2 -","- C52 H48 N6 Ni O10 S2 -","- C208 H192 N24 Ni4 O40 S8 -","4","0.5","","Ana M. García-Deibe; Jesús Sanmartín-Matalobos; Concepción González-Bello; Emilio Lence; Cristina Portela-García; Luis Martínez-Rodríguez; Matilde Fondo","Metal-Assisted Ring-Closing/Opening Process of a Chiral Tetrahydroquinazoline","Inorganic Chemistry","2012","51","","1278","1293","10.1021/ic2017038","","","0.71073","MoKα","","0.1218","0.0467","","","0.0857","0.1113","","","","","","1.016","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328135","11.3622","0.0005","14.0882","0.0005","17.6835","0.0007","68.245","0.002","88.857","0.002","70.718","0.002","2464.57","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 N6 Ni O10 S2 -","- C52 H56 N6 Ni O10 S2 -","- C104 H112 N12 Ni2 O20 S4 -","2","1","","Ana M. García-Deibe; Jesús Sanmartín-Matalobos; Concepción González-Bello; Emilio Lence; Cristina Portela-García; Luis Martínez-Rodríguez; Matilde Fondo","Metal-Assisted Ring-Closing/Opening Process of a Chiral Tetrahydroquinazoline","Inorganic Chemistry","2012","51","","1278","1293","10.1021/ic2017038","","","0.71073","MoKα","","0.0638","0.0424","","","0.0954","0.1053","","","","","","1.044","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328136","9.638","0.0004","19.9218","0.0007","25.9126","0.0009","90","","90","","90","","4975.4","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H21 Cl2 N3 O3 Pd S -","- C25 H21 Cl2 N3 O3 Pd S -","- C200 H168 Cl16 N24 O24 Pd8 S8 -","8","1","","Ana M. García-Deibe; Jesús Sanmartín-Matalobos; Concepción González-Bello; Emilio Lence; Cristina Portela-García; Luis Martínez-Rodríguez; Matilde Fondo","Metal-Assisted Ring-Closing/Opening Process of a Chiral Tetrahydroquinazoline","Inorganic Chemistry","2012","51","","1278","1293","10.1021/ic2017038","","","0.71073","MoKα","","0.1306","0.0549","","","0.0952","0.1241","","","","","","1.018","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328137","13.7327","0.0004","17.938","0.0005","17.344","0.0004","90","","128.569","0.002","90","","3340.47","0.18","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.73 H47.46 Al Cl2 N2 -","- C33.73 H47.46 Al Cl2 N2 -","- C134.92 H189.84 Al4 Cl8 N8 -","4","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","0.71073","MoKα","","0.0834","0.0519","","","0.134","0.1506","","","","","","1.042","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328138","13.6859","0.0011","17.9072","0.0014","13.869","0.0011","90","","102.025","0.002","90","","3324.4","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.86 H46.01 Al Cl2 N2 -","- C33.843 H45.056 Al Cl2 N2 -","- C135.372 H180.224 Al4 Cl8 N8 -","4","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","0.71073","MoKα","","0.1405","0.0591","","","0.137","0.1754","","","","","","1","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328139","11.2859","0.0004","17.0176","0.0006","16.6324","0.0006","90","","105.238","0.001","90","","3082.09","0.19","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Al N2 -","- C33 H47 Al N2 -","- C132 H188 Al4 N8 -","4","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","0.71073","MoKα","","0.076","0.0542","","","0.1385","0.1529","","","","","","0.943","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328140","13.7281","0.0004","17.9194","0.0005","13.837","0.0004","90","","100.665","0.001","90","","3345.09","0.17","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 Al N2 -","- C36 H53 Al N2 -","- C144 H212 Al4 N8 -","4","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","1.54178","CuKα","","0.0649","0.063","","","0.1817","0.184","","","","","","1.042","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328141","13.418","0.003","15.976","0.003","16.537","0.006","90","","121.93","0.02","90","","3008.6","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Al Cl N2 O -","- C32 H44 Al Cl N2 O -","- C128 H176 Al4 Cl4 N8 O4 -","4","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","0.71073","MoKα","","0.0445","0.0411","","","0.1081","0.1109","","","","","","1.04","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328142","13.68","0.003","15.86","0.003","14.63","0.003","90","","108.94","0.03","90","","3002.3","1.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.78 H46.48 Al N2 O -","- C32.781 H46.483 Al N2 O -","- C131.124 H185.932 Al4 N8 O4 -","4","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","0.71073","MoKα","","0.06","0.0553","","","0.1508","0.1562","","","","","","1.04","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328143","13.738","0.0012","17.9556","0.0015","13.8993","0.0012","90","","102.278","0.001","90","","3350.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.4 H46.4 Cl2 Ga N2 -","- C34.3 H46.4 Cl2 Ga N2 -","- C137.2 H185.6 Cl8 Ga4 N8 -","4","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","0.71073","MoKα","","0.0393","0.0333","","","0.0921","0.0972","","","","","","0.864","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328144","18.5932","0.0005","16.5947","0.0004","22.1689","0.0006","90","","90","","90","","6840.2","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H53 N2 Na O2 -","- C36 H53 N2 Na O2 -","- C288 H424 N16 Na8 O16 -","8","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","0.71073","MoKα","","0.0465","0.0402","","","0.1117","0.1169","","","","","","1.04","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328145","14.7223","0.0002","15.4117","0.0003","21.2348","0.0004","88.7516","0.0008","84.1354","0.0008","75.381","0.0007","4637.66","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(tBuClip)Mo(μ-N)(μ-NH2)Mo(tBuClip) . 0.5 Et2O","(μ-Nitrido)(μ-amido)bis(4,4'-Di-tert-butylbiphenyl-2,2'-bis((2-oxy- 3,5-di-tert-butylphenyl)amido)dimolybdenum(VI) hemidiethylether solvate","","- C98 H135 Mo2 N6 O4.5 -","- C98 H135 Mo2 N6 O4.5 -","- C196 H270 Mo4 N12 O9 -","2","1","","Jason A. Kopec; Sukesh Shekar; Seth N. Brown","Molybdenum(VI) Complexes of a 2,2'-Biphenyl-bridged Bis(amidophenoxide): Competition between Metal-Ligand and Metal-Amidophenoxide π Bonding","Inorganic Chemistry","2012","51","","1239","1250","10.1021/ic201736h","","","1.54178","CuKα","","0.0438","0.0352","","","0.0898","0.0953","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328146","22.5173","0.0007","12.1833","0.0004","19.6759","0.0006","90","","90","","90","","5397.8","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","(tBuClip)Mo(O)(Lut) . CH3CN","Oxo(3,5-lutidine)(4,4'-Di-tert-butylbiphenyl-2,2'-bis((2-oxy-3,5-di-tert- butylphenyl)amido)molybdenum(VI) acetonitrile solvate","","- C57 H76 Mo N4 O3 -","- C57 H76 Mo N4 O3 -","- C228 H304 Mo4 N16 O12 -","4","1","","Jason A. Kopec; Sukesh Shekar; Seth N. Brown","Molybdenum(VI) Complexes of a 2,2'-Biphenyl-bridged Bis(amidophenoxide): Competition between Metal-Ligand and Metal-Amidophenoxide π Bonding","Inorganic Chemistry","2012","51","","1239","1250","10.1021/ic201736h","","","1.54178","CuKα","","0.0339","0.0322","","","0.0817","0.0827","","","","","","1.052","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328147","13.8491","0.0017","14.7791","0.0018","14.9039","0.0018","72.332","0.003","78.155","0.003","88.443","0.003","2842.7","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(tBuClip)Mo(OiPr)2 . 2 CH3CN","(4,4'-Di-tert-butylbiphenyl-2,2'-bis((2-oxy- 3,5-di-tert-butylphenyl)amido)-diisopropoxymolybdenum(VI) bisacetonitrile solvate","","- C58 H84 Mo N4 O4 -","- C58 H84 Mo N4 O4 -","- C116 H168 Mo2 N8 O8 -","2","1","","Jason A. Kopec; Sukesh Shekar; Seth N. Brown","Molybdenum(VI) Complexes of a 2,2'-Biphenyl-bridged Bis(amidophenoxide): Competition between Metal-Ligand and Metal-Amidophenoxide π Bonding","Inorganic Chemistry","2012","51","","1239","1250","10.1021/ic201736h","","","0.71073","MoKα","","0.0426","0.0379","","","0.0949","0.0988","","","","","","1.05","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328148","16.5087","0.0015","9.8707","0.0011","16.4722","0.0014","90","","90","","90","","2684.2","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C8 H27 Ge7 N3 Ni O19 -","- C8 H12 Ge7 N3 Ni O19 -","- C32 H48 Ge28 N12 Ni4 O76 -","4","1","","Wen Luo; Wen-Qin Mu; Xu Zhang; Xiang Zhang; Ya-Yang Pu; Qin-Yu Zhu; Jie Dai","3-D Germanate Constructed with Ge7 Cluster Layers and Nickel-Ethanolamine Linkage","Inorganic Chemistry","2012","51","","1489","1494","10.1021/ic201754z","","","0.71075","MoKα","","0.0518","0.0483","","","0.1132","0.1158","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328149","9.3943","0.0002","11.7585","0.0006","11.7303","0.0006","77.79","0.001","82.7795","0.0009","66.296","0.004","1158.41","0.09","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","[Mn2O2(BuOtpy)2(H2O)2](NO3)3-4(H2O)","","","- C38 H50 Mn2 N9 O19 -","- C38 H50 Mn2 N9 O19 -","- C38 H50 Mn2 N9 O19 -","1","0.5","","Hirosato Yamazaki; Satoshi Igarashi; Toshi Nagata; Masayuki Yagi","Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of MnIII(μ-O)2MnIV Dimers with 2,2':6',2""-Terpyridine Derivative Ligands for Water Oxidation","Inorganic Chemistry","2012","51","","1530","1539","10.1021/ic201797h","","","0.7107","MoKα","","","0.0666","","","","0.221","","","","","","1.272","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328150","11.6339","0.0001","13.5458","0.0001","15.7383","0.0003","102.065","0.001","98.554","0.001","110.912","0.0009","2196.89","0.05","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","[Mn2O2(PrOtpy)2(H2O)2](NO3)3- 3.5(H2O)","","","- C36 H45 Mn2 N9 O18.5 -","- C36 H44 Mn2 N9 O18.5 -","- C72 H88 Mn4 N18 O37 -","2","1","","Hirosato Yamazaki; Satoshi Igarashi; Toshi Nagata; Masayuki Yagi","Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of MnIII(μ-O)2MnIV Dimers with 2,2':6',2""-Terpyridine Derivative Ligands for Water Oxidation","Inorganic Chemistry","2012","51","","1530","1539","10.1021/ic201797h","","","0.7107","MoKα","","","0.0645","","","","0.1739","","","","","","1.284","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328151","7.803","0.0002","14.1073","0.0004","18.584","0.0006","84.391","0.002","83.461","0.003","84.56","0.002","2015.42","0.1","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","[Mn2O2(Metpy)2(H2O)2][Mn(Metpy)(NO3)(H2O)2]2(NO3)5 - 6(H2O)","","","- C64 H76 Mn4 N19 O35 -","- C64 H72 Mn4 N19 O34.96 -","- C64 H72 Mn4 N19 O34.96 -","1","0.5","","Hirosato Yamazaki; Satoshi Igarashi; Toshi Nagata; Masayuki Yagi","Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of MnIII(μ-O)2MnIV Dimers with 2,2':6',2""-Terpyridine Derivative Ligands for Water Oxidation","Inorganic Chemistry","2012","51","","1530","1539","10.1021/ic201797h","","","0.7107","MoKα","","","0.0661","","","","0.1939","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328152","9.9219","0.0008","10.668","0.001","11.1863","0.0008","64.322","0.005","83.79","0.006","80.843","0.002","1052.48","0.16","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","[Mn2O2(MeStpy)2(H2O)2](NO3) - 6(H2O)","","","- C32 H42 Mn2 N9 O19 S2 -","- C32 H34 Mn2 N9 O19 S2 -","- C32 H34 Mn2 N9 O19 S2 -","1","0.5","","Hirosato Yamazaki; Satoshi Igarashi; Toshi Nagata; Masayuki Yagi","Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of MnIII(μ-O)2MnIV Dimers with 2,2':6',2""-Terpyridine Derivative Ligands for Water Oxidation","Inorganic Chemistry","2012","51","","1530","1539","10.1021/ic201797h","","","0.7107","MoKα","","","0.0552","","","","0.1448","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328153","10.587","0.001","16.337","0.002","22.822","0.003","90","","98.267","0.002","90","","3906.3","0.8","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn2O2(MeOtpy)2(H2O)2](NO3)3.3(H2O)","","","- C32 H36 Mn2 N9 O18 -","- C32 H30 Mn2 N9 O18 -","- C128 H120 Mn8 N36 O72 -","4","1","","Hirosato Yamazaki; Satoshi Igarashi; Toshi Nagata; Masayuki Yagi","Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of MnIII(μ-O)2MnIV Dimers with 2,2':6',2""-Terpyridine Derivative Ligands for Water Oxidation","Inorganic Chemistry","2012","51","","1530","1539","10.1021/ic201797h","","","0.7107","MoKα","","","0.0795","","","","0.1919","","","","","","1.444","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328154","9.0452","0.0008","11.2717","0.0003","11.6197","0.0002","71.876","0.004","66.648","0.009","78.008","0.007","1028.82","0.12","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","[Mn2O2(EtOtpy)2(H2O)2](NO3)3 . 2.5(H2O)","","","- C34 H39 Mn2 N9 O17.5 -","- C34 H38 Mn2 N9 O17.5 -","- C34 H38 Mn2 N9 O17.5 -","1","0.5","","Hirosato Yamazaki; Satoshi Igarashi; Toshi Nagata; Masayuki Yagi","Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of MnIII(μ-O)2MnIV Dimers with 2,2':6',2""-Terpyridine Derivative Ligands for Water Oxidation","Inorganic Chemistry","2012","51","","1530","1539","10.1021/ic201797h","","","0.7107","MoKα","","","0.0601","","","","0.1523","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328155","16.3973","0.0009","23.1772","0.0016","19.0475","0.001","90","","92.372","0.0014","90","","7232.7","0.7","93.1","","93.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.5 H60.5 Cl1.5 F12 N4 O10 Zn2 -","- C80.5 H60 Cl1.5 F12 N4 O10.02 Zn2 -","- C322 H240 Cl6 F48 N16 O40.08 Zn8 -","4","0.5","","Masumi Kuritani; Shohei Tashiro; Mitsuhiko Shionoya","Heterodinuclear Metal Arrangement in a Flat Macrocycle with Two Chemically- Equivalent Metal Chelating Sites","Inorganic Chemistry","2012","51","","1508","1515","10.1021/ic201803c","","","0.71075","MoKα","","","0.0566","","","","0.1691","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328156","10.885","0.006","11.928","0.007","11.946","0.007","89.581","0.012","78.682","0.01","80.795","0.014","1500.8","1.5","93.1","","93.1","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H74 N6 O4 -","- C78 H74 N6 O4 -","- C78 H74 N6 O4 -","1","0.5","","Masumi Kuritani; Shohei Tashiro; Mitsuhiko Shionoya","Heterodinuclear Metal Arrangement in a Flat Macrocycle with Two Chemically- Equivalent Metal Chelating Sites","Inorganic Chemistry","2012","51","","1508","1515","10.1021/ic201803c","","","0.71075","MoKα","","","0.1169","","","","0.3901","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328157","13.1504","0.0005","16.3912","0.0003","15.2918","0.0006","90","","107.328","0.001","90","","3146.57","0.18","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Ge N2 O -","- C32 H48 Ge N2 O -","- C128 H192 Ge4 N8 O4 -","4","1","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; J. Robin Fulton","Reactivity of Divalent Germanium Alkoxide Complexes Is in Sharp Contrast to the Heavier Tin and Lead Analogues","Inorganic Chemistry","2012","51","","1544","1551","10.1021/ic201841m","","x-ray","0.71073","MoKα","","0.0691","0.0475","","","0.1002","0.1108","","","","","","1.022","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328158","8.592","0.0001","11.7494","0.0003","16.6858","0.0004","102.907","0.001","102.097","0.002","95.886","0.001","1585.59","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C33 H50 Ge N2 O -","- C33 H50 Ge N2 O -","- C66 H100 Ge2 N4 O2 -","2","1","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; J. Robin Fulton","Reactivity of Divalent Germanium Alkoxide Complexes Is in Sharp Contrast to the Heavier Tin and Lead Analogues","Inorganic Chemistry","2012","51","","1544","1551","10.1021/ic201841m","","x-ray","0.7107","MoKα","","0.0402","0.0324","","","0.0763","0.0799","","","","","","1.023","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328159","13.3507","0.0003","16.6088","0.0003","16.9602","0.0003","90","","121.696","0.001","90","","3199.82","0.11","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 Ge N2 O -","- C33 H50 Ge N2 O -","- C132 H200 Ge4 N8 O4 -","4","1","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; J. Robin Fulton","Reactivity of Divalent Germanium Alkoxide Complexes Is in Sharp Contrast to the Heavier Tin and Lead Analogues","Inorganic Chemistry","2012","51","","1544","1551","10.1021/ic201841m","","x-ray","0.71073","MoKα","","0.0397","0.0298","","","0.0689","0.0736","","","","","","1.017","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328160","21.206","0.0004","18.5239","0.0007","8.9409","0.0003","90","","90","","90","","3512.14","0.19","173","2","173","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C34 H53 Ge I N2 O -","- C34 H53 Ge I N2 O -","- C136 H212 Ge4 I4 N8 O4 -","4","0.5","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; J. Robin Fulton","Reactivity of Divalent Germanium Alkoxide Complexes Is in Sharp Contrast to the Heavier Tin and Lead Analogues","Inorganic Chemistry","2012","51","","1544","1551","10.1021/ic201841m","","x-ray","0.7107","MoKα","","0.0572","0.0394","","","0.0857","0.0947","","","","","","1.016","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328161","12.7878","0.0004","13.069","0.0003","13.406","0.0005","86.982","0.002","83.786","0.002","83.477","0.002","2211.03","0.12","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C82 H130 F6 Ge2 N4 O11 S2 -","- C82 H130 F6 Ge2 N4 O11 S2 -","- C82 H130 F6 Ge2 N4 O11 S2 -","1","0.5","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; J. Robin Fulton","Reactivity of Divalent Germanium Alkoxide Complexes Is in Sharp Contrast to the Heavier Tin and Lead Analogues","Inorganic Chemistry","2012","51","","1544","1551","10.1021/ic201841m","","x-ray","0.71073","MoKα","","0.0547","0.0431","","","0.1091","0.1167","","","","","","1.041","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328162","15.7342","0.0005","16.4339","0.0007","16.7541","0.0007","90","","102.306","0.002","90","","4232.6","0.3","173","2","173","2","","","","","","","synthesis as described","7","C 1 2/m 1","-C 2y","12","","","","- C87 H124 Cu2 Ge2 I2 N4 O2 -","- C87 H124 Cu2 Ge2 I2 N4 O2 -","- C174 H248 Cu4 Ge4 I4 N8 O4 -","2","0.25","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; J. Robin Fulton","Reactivity of Divalent Germanium Alkoxide Complexes Is in Sharp Contrast to the Heavier Tin and Lead Analogues","Inorganic Chemistry","2012","51","","1544","1551","10.1021/ic201841m","","x-ray","0.71073","MoKα","","0.0945","0.0521","","","0.0908","0.1031","","","","","","1.002","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328163","10.3997","0.0009","19.858","0.002","20.508","0.002","90","","90","","90","","4235.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 Al F9 Fe3 O6 -","- C42 H30 Al F9 Fe3 O6 -","- C168 H120 Al4 F36 Fe12 O24 -","4","1","","Henno J. Gericke; Alfred J. Muller; Jannie C. Swarts","Electrochemical Illumination of Intramolecular Communication in Ferrocene-Containing tris-β-Diketonato Aluminum(III) Complexes; Cytotoxicity of Al(FcCOCHCOCF3)3","Inorganic Chemistry","2012","51","","1552","1561","10.1021/ic201849u","","","0.71073","MoKα","","","0.0587","","","","0.1501","","","","","","0.983","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328164","27.2955","0.0007","27.2955","0.0007","31.6049","0.0013","90","","90","","120","","20392.3","1.1","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H114 Bi10 I24 O28 -","- C60 H114 Bi10 I24 O28 -","- C360 H684 Bi60 I144 O168 -","6","0.166667","","Kirill Yu. Monakhov; Christophe Gourlaouen; Roberto Pattacini; Pierre Braunstein","Heptabismuthate [Bi7I24]3-: A Main Group Element Anderson-Type Structure and Its Relationships with the Polyoxometalates","Inorganic Chemistry","2012","51","","1562","1568","10.1021/ic201859c","","x-ray","0.71073","MoKα","","0.1136","0.0615","","","0.1954","0.2155","","","","","","1.12","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328165","15.041","0.001","18.556","0.001","20.663","0.001","66.485","0.006","68.511","0.006","72.333","0.007","4836.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H57 Cl2 Cu2 N5 O13 -","- C41 H57 Cl2 Cu2 N5 O13 -","- C164 H228 Cl8 Cu8 N20 O52 -","4","2","","Renata E. H. M. B. Osório; Rosely A. Peralta; Adailton J. Bortoluzzi; Vicente R. de Almeida; Bruno Szpoganicz; Franciele L. Fischer; Hernán Terenzi; Antonio S. Mangrich; Karen Mary Mantovani; Dalva E. C. Ferreira; Willian R. Rocha; Wolfgang Haase; Zbigniew Tomkowicz; Ademir dos Anjos; Ademir Neves","Synthesis, Magnetostructural Correlation, and Catalytic Promiscuity of Unsymmetric Dinuclear Copper(II) Complexes: Models for Catechol Oxidases and Hydrolases","Inorganic Chemistry","2012","51","","1569","1589","10.1021/ic201876k","","","0.71069","MoKα","","0.2336","0.0733","","","0.1913","0.2451","","","","","","1.022","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328166","11.287","0.001","12.001","0.001","18.518","0.005","95.935","0.005","99.886","0.005","110.484","0.007","2278.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H59 Cl Cu2 N4 O11 -","- C42 H58 Cl Cu2 N4 O11 -","- C84 H116 Cl2 Cu4 N8 O22 -","2","1","","Renata E. H. M. B. Osório; Rosely A. Peralta; Adailton J. Bortoluzzi; Vicente R. de Almeida; Bruno Szpoganicz; Franciele L. Fischer; Hernán Terenzi; Antonio S. Mangrich; Karen Mary Mantovani; Dalva E. C. Ferreira; Willian R. Rocha; Wolfgang Haase; Zbigniew Tomkowicz; Ademir dos Anjos; Ademir Neves","Synthesis, Magnetostructural Correlation, and Catalytic Promiscuity of Unsymmetric Dinuclear Copper(II) Complexes: Models for Catechol Oxidases and Hydrolases","Inorganic Chemistry","2012","51","","1569","1589","10.1021/ic201876k","","","0.71069","MoKα","","0.0854","0.0404","","","0.0999","0.1134","","","","","","1.05","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328167","10.5831","0.0014","7.3689","0.0011","10.2011","0.0013","90","","120.796","0.006","90","","683.37","0.17","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca H13 N3 -","- B2 Ca H13 N3 -","- B8 Ca4 H52 N12 -","4","1","","Yong Shen Chua; Hui Wu; Wei Zhou; Terrence J. Udovic; Guotao Wu; Zhitao Xiong; Ming Wah Wong; Ping Chen","Monoammoniate of Calcium Amidoborane: Synthesis, Structure, and Hydrogen-Storage Properties","Inorganic Chemistry","2012","51","","1599","1603","10.1021/ic201898v","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.06782","","1.37","","","","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328168","13.927","0.001","9.67","0.001","33.253","0.003","90","","90","","90","","4478.3","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Au(AZPTSC)(CN)]","Cyanato(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''- hexamethylenecarbothioamide)benzamidineto)gold(III)","","- C20 H27 Au N6 S2 -","- C20 H27 Au N6 S2 -","- C160 H216 Au8 N48 S16 -","8","1","","Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram","Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands","Inorganic Chemistry","2012","51","","1604","1613","10.1021/ic201905t","","","0.71073","MoKα","","0.0875","0.0631","","","0.1628","0.197","","","","","","1.027","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328169","8.0871","0.0007","23.774","0.001","11.614","0.001","90","","106.44","0.01","90","","2141.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Au(I)Cl(DPTT)]","Chloro[N-{2N-(5-diethylamino-3-phenyl-1-thiocarbamoyl-1,2,4-triazole)}{N'- (hexaamethylene)}thiourea]gold(I) gold(III) Chloride","","- C19 H27 Au Cl N5 S -","- C19 H27 Au Cl N5 S -","- C76 H108 Au4 Cl4 N20 S4 -","4","1","","Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram","Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands","Inorganic Chemistry","2012","51","","1604","1613","10.1021/ic201905t","","","0.71073","MoKα","","0.0497","0.0345","","","0.0776","0.0946","","","","","","1.089","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328170","13.7878","0.0006","9.7254","0.0005","33.28","0.001","90","","90","","90","","4462.6","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[AuCl(AZPTSC)]","Chloro(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-hexamethylene carbothioamide)benzamidinato)gold(III)","","- C19 H27 Au Cl N5 S2 -","- C19 H27 Au Cl N5 S2 -","- C152 H216 Au8 Cl8 N40 S16 -","8","1","","Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram","Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands","Inorganic Chemistry","2012","51","","1604","1613","10.1021/ic201905t","","","0.71073","MoKα","","0.0842","0.05","","","0.1199","0.1351","","","","","","0.883","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328171","10.8864","0.0007","8.0631","0.0006","22.032","0.001","90","","99.56","0.01","90","","1907.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[AuCl(DMTSC)]","Chloro(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''- dimethylcarbothioamide)benzamidineto)gold(III)","","- C15 H21 Au Cl N5 S2 -","- C15 H21 Au Cl N5 S2 -","- C60 H84 Au4 Cl4 N20 S8 -","4","1","","Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram","Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands","Inorganic Chemistry","2012","51","","1604","1613","10.1021/ic201905t","","","0.71073","MoKα","","0.0734","0.0465","","","0.1046","0.1247","","","","","","1.002","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328172","11.833","0.001","8.2302","0.0006","22.484","0.002","90","","95.41","0.01","90","","2179.9","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Au(MORTSC)(SCN)]","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-morpholinecarbothioamide) benzamidineto)(thiocyanato)gold(III)","","- C18 H23 Au N6 O S3 -","- C18 H23 Au N6 O S3 -","- C72 H92 Au4 N24 O4 S12 -","4","1","","Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram","Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands","Inorganic Chemistry","2012","51","","1604","1613","10.1021/ic201905t","","","0.71073","MoKα","","0.0887","0.0559","","","0.1336","0.1669","","","","","","0.984","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328173","11.883","0.001","14.571","0.001","13.368","0.001","90","","114.85","0.01","90","","2100.3","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Au(MORTSC(CN)]","Cyanato(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''- morpholinecarbothioamide)benzamidineto)gold(III)","","- C18 H23 Au N6 O S2 -","- C18 H23 Au N6 O S2 -","- C72 H92 Au4 N24 O4 S8 -","4","1","","Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram","Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands","Inorganic Chemistry","2012","51","","1604","1613","10.1021/ic201905t","","","0.71073","MoKα","","0.0799","0.0394","","","0.0813","0.1026","","","","","","0.868","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328174","11.1262","0.0014","12.6553","0.0016","15.996","0.002","100.964","0.001","101.365","0.001","104.782","0.001","2065.2","0.5","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H27 Cl6 F6 N6 P Ru S -","- C35 H27 Cl6 F6 N6 P Ru S -","- C70 H54 Cl12 F12 N12 P2 Ru2 S2 -","2","1","","Guocan Li; Lipika Ray; Elliot N. Glass; Kirill Kovnir; Andrey Khoroshutin; Serge I. Gorelsky; Michael Shatruk","Synthesis of Panchromatic Ru(II) Thienyl-Dipyrrin Complexes and Evaluation of Their Light-Harvesting Capacity","Inorganic Chemistry","2012","51","","1614","1624","10.1021/ic2019204","","","0.71073","MoKα","","0.044","0.042","","","0.1077","0.1091","","","","","","1.071","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328175","12.9812","0.0008","10.7751","0.0007","21.5408","0.0014","90","","90","","90","","3013","0.3","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H26 N6 Ru S2 -","- C36 H26 N6 Ru S2 -","- C144 H104 N24 Ru4 S8 -","4","0.5","","Guocan Li; Lipika Ray; Elliot N. Glass; Kirill Kovnir; Andrey Khoroshutin; Serge I. Gorelsky; Michael Shatruk","Synthesis of Panchromatic Ru(II) Thienyl-Dipyrrin Complexes and Evaluation of Their Light-Harvesting Capacity","Inorganic Chemistry","2012","51","","1614","1624","10.1021/ic2019204","","","0.71073","MoKα","","0.0254","0.0219","","","0.0593","0.062","","","","","","1.055","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328176","12.4187","0.0003","18.1898","0.0004","14.8632","0.0004","90","","103.6","0.001","90","","3263.36","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 N3 O Si6 U -","- C18 H54 N3 O Si6 U -","- C72 H216 N12 O4 Si24 U4 -","4","1","","Skye Fortier; Jessie L. Brown; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Synthesis, Molecular and Electronic Structure of UV(O)[N(SiMe3)2]3","Inorganic Chemistry","2012","51","","1625","1633","10.1021/ic201936j","","","0.71073","MoKα","","0.0343","0.022","","","0.0433","0.0465","","","","","","1.009","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328177","30.89","0.0007","19.9441","0.0004","50.2256","0.001","90","","91.699","0.001","90","","30929","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H123 N6 O Si12 U2 -","- C51 H108 N6 O Si12 U2 -","- C816 H1728 N96 O16 Si192 U32 -","16","2","","Skye Fortier; Jessie L. Brown; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Synthesis, Molecular and Electronic Structure of UV(O)[N(SiMe3)2]3","Inorganic Chemistry","2012","51","","1625","1633","10.1021/ic201936j","","","0.71073","MoKα","","0.113","0.0614","","","0.1149","0.1343","","","","","","1.079","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328178","18.2954","0.0005","18.2954","0.0005","17.2795","0.001","90","","90","","120","","5008.9","0.3","150","2","150","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 I N3 Si6 U -","- C18 H54 I N3 Si6 U -","- C108 H324 I6 N18 Si36 U6 -","6","0.333333","","Skye Fortier; Jessie L. Brown; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Synthesis, Molecular and Electronic Structure of UV(O)[N(SiMe3)2]3","Inorganic Chemistry","2012","51","","1625","1633","10.1021/ic201936j","","","0.71073","MoKα","","0.0339","0.0281","","","0.0803","0.0839","","","","","","1.079","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328179","16.124","0.005","4.7856","0.0014","15.443","0.005","90","","117.911","0.009","90","","1053","0.6","90","","90","","","","","","","","local laboratory","6","C 1 2 1","C 2y","5","","","","- C7 H12 Ag N O3 S -","- C7 H12 Ag N O3 S -","- C28 H48 Ag4 N4 O12 S4 -","4","1","","Noriko Chikaraishi Kasuga; Rie Yoshikawa; Yoshitaka Sakai; Kenji Nomiya","Syntheses, Structures, and Antimicrobial Activities of Remarkably Light-Stable and Water-Soluble Silver Complexes with Amino Acid Derivatives, Silver(I) N-Acetylmethioninates","Inorganic Chemistry","2012","51","","1640","1647","10.1021/ic201950p","","","0.71073","MoKα","","0.0385","0.036","","","0.0991","0.1015","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328180","12.3891","0.0009","7.3815","0.0005","11.7052","0.0009","90","","97.272","0.001","90","","1061.83","0.13","90","2","90","","","","","","","","local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 Ag2 N2 O10 S2 -","- C10 H32 Ag2 N2 O10 S2 -","- C20 H64 Ag4 N4 O20 S4 -","2","0.5","","Noriko Chikaraishi Kasuga; Rie Yoshikawa; Yoshitaka Sakai; Kenji Nomiya","Syntheses, Structures, and Antimicrobial Activities of Remarkably Light-Stable and Water-Soluble Silver Complexes with Amino Acid Derivatives, Silver(I) N-Acetylmethioninates","Inorganic Chemistry","2012","51","","1640","1647","10.1021/ic201950p","","","0.71073","MoKα","","0.0184","0.0175","","","0.0456","0.0463","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328181","5.0463","0.0004","5.6304","0.0005","23.2902","0.0019","90","","90","","90","","661.74","0.1","90","","90","","","","","","","","local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Ag N O2 S -","- C4 H8 Ag N O2 S -","- C16 H32 Ag4 N4 O8 S4 -","4","1","","Noriko Chikaraishi Kasuga; Rie Yoshikawa; Yoshitaka Sakai; Kenji Nomiya","Syntheses, Structures, and Antimicrobial Activities of Remarkably Light-Stable and Water-Soluble Silver Complexes with Amino Acid Derivatives, Silver(I) N-Acetylmethioninates","Inorganic Chemistry","2012","51","","1640","1647","10.1021/ic201950p","","","0.71073","MoKα","","0.0192","0.019","","","0.0446","0.0447","","","","","","1.227","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328182","11.8384","0.0015","13.7457","0.0017","17.587","0.002","72.552","0.001","85.363","0.001","87.721","0.001","2720.9","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H92 Ag4 N8 Na9 Nd O50 S16 -","- C72 H92 Ag4 N8 Na9 Nd O50 S16 -","- C72 H92 Ag4 N8 Na9 Nd O50 S16 -","1","0.5","","Nobuhiko Iki; Shouichi Hiro-oka; Teppei Tanaka; Chizuko Kabuto; Hitoshi Hoshino","Highly Efficient Near-Infrared-Emitting Lanthanide(III) Complexes Formed by Heterogeneous Self-Assembly of AgI, LnIII, and Thiacalix[4]arene-p-tetrasulfonate in Aqueous Solution (LnIII= NdIII, YbIII)","Inorganic Chemistry","2012","51","","1648","1656","10.1021/ic2019583","","","0.71073","MoKα","","0.0249","0.024","","","0.0673","0.068","","","","","","1.089","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328183","9.144","0.0005","9.8317","0.0005","13.3061","0.0007","84.606","0.004","73.94","0.005","88.789","0.004","1144.44","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Cl F6 N4 P Ru -","- C20 H22 Cl F6 N4 P Ru -","- C40 H44 Cl2 F12 N8 P2 Ru2 -","2","1","","Amit Das; Thomas Michael Scherer; Abhishek Dutta Chowdhury; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri","Asymmetrical Diruthenium Complex Bridged by a Redox-Active Ligand","Inorganic Chemistry","2012","51","","1675","1684","10.1021/ic201975h","","","0.71073","MoKα","","0.0538","0.0401","","","0.0953","0.0987","","","","","","0.953","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328184","14.1822","0.0002","16.3106","0.0003","29.7326","0.0004","90","","90","","90","","6877.75","0.18","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Cl F6 N4 O4 P Ru2 -","- C30 H36 Cl F6 N4 O4 P Ru2 -","- C240 H288 Cl8 F48 N32 O32 P8 Ru16 -","8","1","","Amit Das; Thomas Michael Scherer; Abhishek Dutta Chowdhury; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri","Asymmetrical Diruthenium Complex Bridged by a Redox-Active Ligand","Inorganic Chemistry","2012","51","","1675","1684","10.1021/ic201975h","","","0.71073","MoKα","","0.0389","0.0257","","","0.0604","0.0625","","","","","","0.924","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328185","8.861","0.003","8.861","0.003","4.8339","0.0019","90","","90","","90","","379.5","0.2","273","2","273","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4 Ga4 K1.11 -","- Au4 Ga4 K1.104 -","- Au8 Ga8 K2.208 -","2","0.0625","","Volodymyr Smetana; John D. Corbett; Gordon J. Miller","Four Polyanionic Compounds in the K-Au-Ga System: A Case Study in Exploratory Synthesis and of the Art of Structural Analysis","Inorganic Chemistry","2012","51","","1695","1702","10.1021/ic201999u","","","0.71073","MoKα","","0.0161","0.0155","","","0.0353","0.0353","","","","","","1.074","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328186","4.407","0.0009","7.339","0.0015","8.664","0.0017","90","","90","","90","","280.22","0.1","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Au4.43 Ga7.57 K2 -","- Au4.456 Ga7.544 K2 -","- Au4.456 Ga7.544 K2 -","1","0.0625","","Volodymyr Smetana; John D. Corbett; Gordon J. Miller","Four Polyanionic Compounds in the K-Au-Ga System: A Case Study in Exploratory Synthesis and of the Art of Structural Analysis","Inorganic Chemistry","2012","51","","1695","1702","10.1021/ic201999u","","","0.71073","MoKα","","0.0309","0.0272","","","0.0596","0.0608","","","","","","1.147","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328187","11.078","0.002","8.4864","0.0017","5.5686","0.0011","90","","90","","90","","523.52","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au6.16 Ga3.84 K2 -","- Au6.164 Ga3.836 K2 -","- Au12.328 Ga7.672 K4 -","2","0.125","","Volodymyr Smetana; John D. Corbett; Gordon J. Miller","Four Polyanionic Compounds in the K-Au-Ga System: A Case Study in Exploratory Synthesis and of the Art of Structural Analysis","Inorganic Chemistry","2012","51","","1695","1702","10.1021/ic201999u","","","0.71073","MoKα","","0.0344","0.0271","","","0.0595","0.0629","","","","","","1.059","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328188","6.09","0.0009","6.09","0.0009","15.45","0.003","90","","90","","90","","573.01","0.16","293","2","293","2","","","","","","","","3","I -4 m 2","I -4 -2","119","","","","- Au0.34 Ga2.66 K -","- Au0.335333 Ga2.66467 K -","- Au2.012 Ga15.988 K6 -","6","0.375","","Volodymyr Smetana; John D. Corbett; Gordon J. Miller","Four Polyanionic Compounds in the K-Au-Ga System: A Case Study in Exploratory Synthesis and of the Art of Structural Analysis","Inorganic Chemistry","2012","51","","1695","1702","10.1021/ic201999u","","","0.71073","MoKα","","0.0295","0.0255","","","0.0479","0.05","","","","","","1.022","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328189","11.761","0.002","12.061","0.002","21.084","0.004","90","","90","","90","","2990.8","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H36 B10 Cl2 P2 Pt S -","- C17 H36 B10 Cl2 P2 Pt S -","- C68 H144 B40 Cl8 P8 Pt4 S4 -","4","1","","Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše","Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces","Inorganic Chemistry","2012","51","","1685","1694","10.1021/ic202000b","","","0.71073","MoKα","","0.0266","0.0252","","","0.0614","0.0619","","","","","","1.082","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328190","7.1271","0.0014","11.684","0.002","11.88","0.002","90","","90","","90","","989.3","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- B10 H14 S -","- B10 H14 S -","- B40 H56 S4 -","4","1","","Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše","Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces","Inorganic Chemistry","2012","51","","1685","1694","10.1021/ic202000b","","","0.71073","MoKα","","0.0298","0.0266","","","0.072","0.0757","","","","","","0.832","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328191","7.1496","0.0001","10.7261","0.0002","12.7584","0.0003","90","","90","","90","","978.41","0.03","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- B10 H14 S -","- B10 H14 S -","- B40 H56 S4 -","4","1","","Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše","Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces","Inorganic Chemistry","2012","51","","1685","1694","10.1021/ic202000b","","","0.71073","MoKα","","0.0279","0.0247","","","0.0618","0.063","","","","","","1.082","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328192","7.4989","0.0005","11.8047","0.0008","12.1474","0.0008","90","","92.084","0.004","90","","1074.6","0.12","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B10 H14 S2 -","- B10 H14 S2 -","- B40 H56 S8 -","4","1","","Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše","Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces","Inorganic Chemistry","2012","51","","1685","1694","10.1021/ic202000b","","","0.71073","MoKα","","0.0523","0.038","","","0.1055","0.1135","","","","","","1.051","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328193","10.2839","0.0011","18.928","0.002","13.9112","0.0016","90","","98.931","0.006","90","","2675","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 B10 P2 Pt S -","- C16 H34 B10 P2 Pt S -","- C64 H136 B40 P8 Pt4 S4 -","4","1","","Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše","Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces","Inorganic Chemistry","2012","51","","1685","1694","10.1021/ic202000b","","","0.71073","MoKα","","0.0709","0.0408","","","0.0842","0.0959","","","","","","1.12","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328194","6.922","0.0001","30.5039","0.0006","7.5457","0.0002","90","","90","","90","","1593.26","0.06","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H12 Eu0.14 Gd0.86 Na O12 -","- C12 H12 Eu0.14 Gd0.86 Na O12 -","- C48 H48 Eu0.56 Gd3.44 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0316","0.029","","","0.0736","0.0747","","","","","","1.05","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328195","6.9422","0.0001","30.5658","0.0005","7.5842","0.0001","90","","90","","90","","1609.32","0.04","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Na O12 Sm -","- C12 H12 Na O12 Sm -","- C48 H48 Na4 O48 Sm4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0307","0.0278","","","0.07","0.0713","","","","","","1.101","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328196","6.9094","0.0002","39.205","0.0008","7.5963","0.0002","90","","90","","90","","2057.71","0.09","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Na O12 Sm -","- C18 H16 Na O12 Sm -","- C72 H64 Na4 O48 Sm4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0196","0.0181","","","0.0412","0.0417","","","","","","1.041","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328197","6.9287","0.0003","30.46","0.002","7.5611","0.0004","90","","90","","90","","1595.76","0.15","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Eu Na O12 -","- C12 H12 Eu Na O12 -","- C48 H48 Eu4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.5418","CuKα","","0.0549","0.05","","","0.1366","0.1393","","","","","","1.131","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328198","6.8969","0.0004","39.176","0.002","7.5752","0.0004","90","","90","","90","","2046.77","0.19","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Eu Na O12 -","- C18 H16 Eu Na O12 -","- C72 H64 Eu4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0357","0.0314","","","0.0701","0.0732","","","","","","1.058","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328199","6.92","0.002","30.559","0.007","7.5478","0.0014","90","","90","","90","","1596.1","0.7","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Gd Na O12 -","- C12 H12 Gd Na O12 -","- C48 H48 Gd4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0653","0.0472","","","0.1043","0.114","","","","","","1.023","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328200","6.8912","0.0001","39.1425","0.0005","7.5597","0.0001","90","","90","","90","","2039.14","0.05","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Gd Na O12 -","- C18 H16 Gd Na O12 -","- C72 H64 Gd4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0153","0.0152","","","0.0369","0.037","","","","","","1.083","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328201","6.9031","0.0003","30.4533","0.0011","7.5215","0.0002","90","","90","","90","","1581.19","0.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Na O12 Tb -","- C12 H12 Na O12 Tb -","- C48 H48 Na4 O48 Tb4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0437","0.0409","","","0.11","0.1123","","","","","","1.101","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328202","6.8767","0.0002","39.1054","0.0014","7.5359","0.0003","90","","90","","90","","2026.52","0.12","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Na O12 Tb -","- C18 H16 Na O12 Tb -","- C72 H64 Na4 O48 Tb4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0355","0.0282","","","0.0563","0.0575","","","","","","0.934","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328203","6.896","0.0001","30.4341","0.0008","7.4984","0.0002","90","","90","","90","","1573.72","0.06","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Dy Na O12 -","- C12 H12 Dy Na O12 -","- C48 H48 Dy4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0345","0.0297","","","0.0637","0.066","","","","","","1.032","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328204","6.8673","0.0002","39.0815","0.0009","7.5196","0.0002","90","","90","","90","","2018.14","0.09","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Dy Na O12 -","- C18 H16 Dy Na O12 -","- C72 H64 Dy4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0325","0.0302","","","0.0802","0.0816","","","","","","1.085","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328205","6.886","0.0003","30.3878","0.0012","7.4722","0.0004","90","","90","","90","","1563.56","0.12","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Ho Na O12 -","- C12 H12 Ho Na O12 -","- C48 H48 Ho4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0428","0.0353","","","0.0736","0.0776","","","","","","0.985","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328206","6.8571","0.0002","39.0412","0.0013","7.4984","0.0002","90","","90","","90","","2007.39","0.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Ho Na O12 -","- C18 H16 Ho Na O12 -","- C72 H64 Ho4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0347","0.0304","","","0.0766","0.078","","","","","","1.083","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328207","6.8781","0.0007","30.389","0.003","7.4593","0.0006","90","","90","","90","","1559.1","0.3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Er Na O12 -","- C12 H12 Er Na O12 -","- C48 H48 Er4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0378","0.0297","","","0.056","0.0575","","","","","","0.987","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328208","6.8454","0.0002","39.0033","0.001","7.4816","0.0002","90","","90","","90","","1997.54","0.09","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Er Na O12 -","- C18 H16 Er Na O12 -","- C72 H64 Er4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0342","0.0299","","","0.0667","0.0688","","","","","","1.023","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328209","6.8598","0.0002","30.3257","0.0008","7.4274","0.0002","90","","90","","90","","1545.11","0.07","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Na O12 Yb -","- C12 H12 Na O12 Yb -","- C48 H48 Na4 O48 Yb4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0222","0.0204","","","0.0439","0.0446","","","","","","1.078","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328210","6.829","0.0001","38.9781","0.0006","7.4568","0.0001","90","","90","","90","","1984.86","0.05","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Na O12 Yb -","- C18 H16 Na O12 Yb -","- C72 H64 Na4 O48 Yb4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0297","0.0273","","","0.0681","0.0694","","","","","","1.061","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328211","14.337","0.002","15.2172","0.0011","18.279","0.003","103.27","0.01","92.249","0.012","100.276","0.01","3805.8","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H36 F3 N4 O5.5 Ru2 S -","- C37 H35 F3 N4 O5.5 Ru2 S -","- C148 H140 F12 N16 O22 Ru8 S4 -","4","2","","Aurélie Damas; Barbara Ventura; Jamal Moussa; Alessandra Degli Esposti; Lise-Marie Chamoreau; Andrea Barbieri; Hani Amouri","Turning on Red and Near-Infrared Phosphorescence in Octahedral Complexes with Metalated Quinones","Inorganic Chemistry","2012","51","","1739","1750","10.1021/ic202021w","","","0.71073","MoKα","","0.1541","0.075","","","0.2044","0.2501","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328212","12.5121","0.0003","14.5305","0.0004","21.4119","0.0006","90","","90","","90","","3892.83","0.18","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H39 Cl4 Ir N2 O2 Ru -","- C40 H39 Cl4 Ir N2 O2 Ru -","- C160 H156 Cl16 Ir4 N8 O8 Ru4 -","4","1","","Aurélie Damas; Barbara Ventura; Jamal Moussa; Alessandra Degli Esposti; Lise-Marie Chamoreau; Andrea Barbieri; Hani Amouri","Turning on Red and Near-Infrared Phosphorescence in Octahedral Complexes with Metalated Quinones","Inorganic Chemistry","2012","51","","1739","1750","10.1021/ic202021w","","","0.71073","MoKα","","0.0287","0.0232","","","0.0582","0.06","","","","","","1.013","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328213","12.9964","0.0017","23.346","0.003","23.532","0.005","99.441","0.01","96.782","0.013","95.373","0.01","6947","2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C155 H152 Cl6 N8 O11 Rh4 Ru4 -","- C155 H146 Cl6 N8 O11 Rh4 Ru4 -","- C310 H292 Cl12 N16 O22 Rh8 Ru8 -","2","1","","Aurélie Damas; Barbara Ventura; Jamal Moussa; Alessandra Degli Esposti; Lise-Marie Chamoreau; Andrea Barbieri; Hani Amouri","Turning on Red and Near-Infrared Phosphorescence in Octahedral Complexes with Metalated Quinones","Inorganic Chemistry","2012","51","","1739","1750","10.1021/ic202021w","","","0.71073","MoKα","","0.1581","0.0716","","","0.1713","0.2088","","","","","","1.056","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328214","13.0495","0.0004","13.4255","0.0004","19.0544","0.0009","99.512","0.002","98.195","0.002","109.665","0.001","3028.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N10 O9 -","- C27 H30 N10 O9 -","- C108 H120 N40 O36 -","4","2","","Sandeep Kumar Dey; Romen Chutia; Gopal Das","Oxyanion-Encapsulated Caged Supramolecular Frameworks of a Tris(urea) Receptor: Evidence of Hydroxide- and Fluoride-Ion-Induced Fixation of Atmospheric CO2 as a Trapped CO32- Anion","Inorganic Chemistry","2012","51","","1727","1738","10.1021/ic2020379","","","0.71073","MoKα","","0.0696","0.0461","","","0.1455","0.1691","","","","","","0.964","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328215","33.4669","0.0013","15.1439","0.0005","22.8357","0.001","90","","120.928","0.003","90","","9928","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C87 H132 N22 O21 -","- C87 H132 N22 O21 -","- C348 H528 N88 O84 -","4","0.5","","Sandeep Kumar Dey; Romen Chutia; Gopal Das","Oxyanion-Encapsulated Caged Supramolecular Frameworks of a Tris(urea) Receptor: Evidence of Hydroxide- and Fluoride-Ion-Induced Fixation of Atmospheric CO2 as a Trapped CO32- Anion","Inorganic Chemistry","2012","51","","1727","1738","10.1021/ic2020379","","","0.71073","MoKα","","0.0744","0.0496","","","0.1608","0.1831","","","","","","1.03","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328216","22.9827","0.001","13.3103","0.0006","33.5349","0.0015","90","","98.705","0.002","90","","10140.4","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H132 N22 O22 S -","- C86 H132 N22 O22 S -","- C344 H528 N88 O88 S4 -","4","0.5","","Sandeep Kumar Dey; Romen Chutia; Gopal Das","Oxyanion-Encapsulated Caged Supramolecular Frameworks of a Tris(urea) Receptor: Evidence of Hydroxide- and Fluoride-Ion-Induced Fixation of Atmospheric CO2 as a Trapped CO32- Anion","Inorganic Chemistry","2012","51","","1727","1738","10.1021/ic2020379","","","0.71073","MoKα","","0.0599","0.0486","","","0.1346","0.1467","","","","","","0.983","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328217","27.1299","0.0015","19.595","0.001","19.5946","0.001","90","","123.846","0.001","90","","8651.5","0.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H42 Cl Ir N O2.5 P2 -","- C47 H42 Cl Ir N O2.5 P2 -","- C376 H336 Cl8 Ir8 N8 O20 P16 -","8","1","","Roberto Ciganda; María A. Garralda; Lourdes Ibarlucea; Claudio Mendicute-Fierro; M. Carmen Torralba; M. Rosario Torres","Reactions of Hydridoirida-β-diketones with Amines or with 2-Aminopyridines: Formation of Hydridoirida-β-ketoimines, PCN Terdentate Ligands, and Acyl Decarbonylation","Inorganic Chemistry","2012","51","","1760","1768","10.1021/ic202065d","","","0.71073","MoKα","","0.0796","0.0379","","","0.1009","0.1291","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328218","26.411","0.003","19.349","0.002","19.978","0.002","90","","123.279","0.002","90","","8535.1","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H35 Cl Ir N O2 P2 -","- C40 H35 Cl Ir N O2 P2 -","- C320 H280 Cl8 Ir8 N8 O16 P16 -","8","1","","Roberto Ciganda; María A. Garralda; Lourdes Ibarlucea; Claudio Mendicute-Fierro; M. Carmen Torralba; M. Rosario Torres","Reactions of Hydridoirida-β-diketones with Amines or with 2-Aminopyridines: Formation of Hydridoirida-β-ketoimines, PCN Terdentate Ligands, and Acyl Decarbonylation","Inorganic Chemistry","2012","51","","1760","1768","10.1021/ic202065d","","","0.71073","MoKα","","0.0892","0.0473","","","0.1768","0.2568","","","","","","1.052","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328219","11.0825","0.0007","13.0297","0.0008","15.0971","0.001","89.345","0.001","78.796","0.001","78.253","0.001","2092.8","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 Cl Ir N2 O2 P2 -","- C48 H46 Cl Ir N2 O2 P2 -","- C96 H92 Cl2 Ir2 N4 O4 P4 -","2","1","","Roberto Ciganda; María A. Garralda; Lourdes Ibarlucea; Claudio Mendicute-Fierro; M. Carmen Torralba; M. Rosario Torres","Reactions of Hydridoirida-β-diketones with Amines or with 2-Aminopyridines: Formation of Hydridoirida-β-ketoimines, PCN Terdentate Ligands, and Acyl Decarbonylation","Inorganic Chemistry","2012","51","","1760","1768","10.1021/ic202065d","","","0.71073","MoKα","","0.0267","0.0212","","","0.0494","0.0512","","","","","","1.065","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328220","10.3548","0.0007","16.1574","0.0011","24.2413","0.0016","90","","100.505","0.001","90","","3987.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cl3 Ir N2 O P2 -","- C44 H36 Cl3 Ir N2 O P2 -","- C176 H144 Cl12 Ir4 N8 O4 P8 -","4","1","","Roberto Ciganda; María A. Garralda; Lourdes Ibarlucea; Claudio Mendicute-Fierro; M. Carmen Torralba; M. Rosario Torres","Reactions of Hydridoirida-β-diketones with Amines or with 2-Aminopyridines: Formation of Hydridoirida-β-ketoimines, PCN Terdentate Ligands, and Acyl Decarbonylation","Inorganic Chemistry","2012","51","","1760","1768","10.1021/ic202065d","","","0.71073","MoKα","","0.1148","0.0469","","","0.0859","0.1098","","","","","","0.991","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328221","12.0147","0.0007","12.0147","0.0007","19.406","0.002","90","","90","","120","","2426","0.3","173","2","173","2","","","","","","","","6","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C22 H32 Au2 F12 N8 P2 -","- C22 H32 Au2 F12 N8 P2 -","- C66 H96 Au6 F36 N24 P6 -","3","0.5","","Marco Baron; Cristina Tubaro; Andrea Biffis; Marino Basato; Claudia Graiff; Albert Poater; Luigi Cavallo; Nicola Armaroli; Gianluca Accorsi","Blue-Emitting Dinuclear N-heterocyclic Dicarbene Gold(I) Complex Featuring a Nearly Unit Quantum Yield","Inorganic Chemistry","2012","51","","1778","1784","10.1021/ic2020786","","","0.71073","MoKα","","0.0344","0.026","","","0.0542","0.0569","","","","","","1.009","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328222","14.539","0.004","10.546","0.003","23.378","0.006","90","","107.231","0.005","90","","3423.6","1.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 N0 O16 P2 Y2 -","- C43 H25 O16 P2 Y2 -","- C86 H50 O32 P4 Y4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0799","0.0566","","","0.1582","0.1749","","","","","","0.995","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328223","14.664","0.003","10.603","0.002","23.698","0.004","90","","108.058","0.01","90","","3503.1","1.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 O16 P2 Sm2 -","- C43 H25 O16 P2 Sm2 -","- C86 H50 O32 P4 Sm4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0724","0.0674","","","0.207","0.2142","","","","","","1.139","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328224","14.617","0.003","10.572","0.002","23.548","0.005","90","","107.79","0.03","90","","3464.9","1.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 Eu2 N0 O16 P2 -","- C43 H25 Eu2 O16 P2 -","- C86 H50 Eu4 O32 P4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0421","0.034","","","0.0968","0.0997","","","","","","1.018","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328225","14.528","0.003","10.497","0.002","23.674","0.008","90","","107.97","0.03","90","","3434.2","1.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 Gd2 O16 P2 -","- C43 H25 Gd2 O16 P2 -","- C86 H50 Gd4 O32 P4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0403","0.0355","","","0.0884","0.0908","","","","","","1.086","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328226","14.617","0.004","10.572","0.003","23.548","0.007","90","","107.787","0.004","90","","3465","1.7","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 O16 P2 Tb2 -","- C43 H25 O16 P2 Tb2 -","- C86 H50 O32 P4 Tb4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0451","0.0399","","","0.1115","0.1182","","","","","","1.079","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328227","14.617","0.004","10.572","0.003","23.548","0.007","90","","107.787","0.004","90","","3465","1.7","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 Dy2 O16 P2 -","- C43 H25 Dy2 O16 P2 -","- C86 H50 Dy4 O32 P4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0417","0.0378","","","0.1091","0.1119","","","","","","1.083","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328228","14.4523","0.0011","10.4767","0.0005","23.4337","0.0018","90","","107.577","0.004","90","","3382.5","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 Ho2 O16 P2 -","- C43 H25 Ho2 O16 P2 -","- C86 H50 Ho4 O32 P4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0349","0.0315","","","0.0949","0.0968","","","","","","1.084","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328229","14.4248","0.0011","10.4553","0.0005","23.4323","0.0018","90","","107.501","0.004","90","","3370.4","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 Er2 O16 P2 -","- C43 H25 Er2 O16 P2 -","- C86 H50 Er4 O32 P4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0707","0.059","","","0.185","0.1941","","","","","","1.081","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328230","14.4014","0.0011","10.4577","0.0005","23.3524","0.0018","90","","107.371","0.004","90","","3356.6","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 O16 P2 Tm2 -","- C43 H25 O16 P2 Tm2 -","- C86 H50 O32 P4 Tm4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0609","0.0509","","","0.1719","0.1788","","","","","","1.13","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328231","14.3832","0.0011","10.4548","0.0005","23.3057","0.0018","90","","107.348","0.004","90","","3345.1","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 O16 P2 Yb2 -","- C43 H25 O16 P2 Yb2 -","- C86 H50 O32 P4 Yb4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0537","0.0469","","","0.1716","0.1771","","","","","","1.118","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328232","14.4262","0.0011","10.4932","0.0005","23.2269","0.0018","90","","107.052","0.004","90","","3361.5","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H25 Lu2 O16 P2 -","- C43 H25 Lu2 O16 P2 -","- C86 H50 Lu4 O32 P4 -","2","0.5","","Zu-Jin Lin; Zhen Yang; Tian-Fu Liu; Yuan-Biao Huang; Rong Cao","Microwave-Assisted Synthesis of a Series of Lanthanide Metal-Organic Frameworks and Gas Sorption Properties","Inorganic Chemistry","2012","51","","1813","1820","10.1021/ic202082w","","","0.71073","MoKα","","0.0443","0.0384","","","0.1115","0.1153","","","","","","1.048","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328233","22.886","0.004","9.4566","0.0019","29.041","0.006","90","","100.42","0.003","90","","6182","2","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N2 O4 Ti -","- C36 H32 N2 O4 Ti -","- C288 H256 N16 O32 Ti8 -","8","2","","Avia Tzubery; Edit Y. Tshuva","Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies","Inorganic Chemistry","2012","51","","1796","1804","10.1021/ic202092u","","","0.71073","MoKα","","0.197","0.1397","","","0.2368","0.2615","","","","","","1.226","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328234","13.1517","0.0009","14.2807","0.001","16.9892","0.0011","90","","100.437","0.001","90","","3138","0.4","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 N2 O4 Ti -","- C38 H36 N2 O4 Ti -","- C152 H144 N8 O16 Ti4 -","4","1","","Avia Tzubery; Edit Y. Tshuva","Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies","Inorganic Chemistry","2012","51","","1796","1804","10.1021/ic202092u","","","0.71073","MoKα","","0.0937","0.0707","","","0.1399","0.1484","","","","","","1.15","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328235","9.101","0.004","26.33","0.01","17.051","0.007","90","","101.481","0.007","90","","4004","3","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N2 O4 Ti -","- C44 H48 N2 O4 Ti -","- C176 H192 N8 O16 Ti4 -","4","1","","Avia Tzubery; Edit Y. Tshuva","Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies","Inorganic Chemistry","2012","51","","1796","1804","10.1021/ic202092u","","","0.71073","MoKα","","0.0998","0.0837","","","0.2176","0.2284","","","","","","1.071","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328236","13.6563","0.001","18.7494","0.0014","18.5422","0.0013","90","","99.331","0.001","90","","4684.9","0.6","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H64 N2 O4 Ti -","- C52 H64 N2 O4 Ti -","- C208 H256 N8 O16 Ti4 -","4","1","","Avia Tzubery; Edit Y. Tshuva","Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies","Inorganic Chemistry","2012","51","","1796","1804","10.1021/ic202092u","","","0.71073","MoKα","","0.1351","0.1028","","","0.1846","0.197","","","","","","1.21","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328237","13.372","0.001","23.313","0.004","12.053","0.002","90","","117.448","0.003","90","","3334.4","0.8","173","2","173","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H36 N2 O6 Ti -","- C38 H36 N2 O6 Ti -","- C152 H144 N8 O24 Ti4 -","4","1","","Avia Tzubery; Edit Y. Tshuva","Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies","Inorganic Chemistry","2012","51","","1796","1804","10.1021/ic202092u","","","0.71073","MoKα","","0.0778","0.0625","","","0.1135","0.1201","","","","","","1.046","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328238","11.6729","0.0011","19.9513","0.0019","17.2929","0.0017","90","","105.846","0.002","90","","3874.3","0.6","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Br2 N2 O5 Ti -","- C44 H40 Br2 N2 O5 Ti -","- C176 H160 Br8 N8 O20 Ti4 -","4","1","","Avia Tzubery; Edit Y. Tshuva","Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies","Inorganic Chemistry","2012","51","","1796","1804","10.1021/ic202092u","","","0.71073","MoKα","","0.0573","0.0375","","","0.0845","0.0923","","","","","","1.036","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328239","8.877","0.003","9.769","0.003","16.796","0.005","93.968","0.005","104.301","0.005","109.979","0.005","1307.5","0.7","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl2 N2 O4 Ti -","- C29 H24 Cl2 N2 O4 Ti -","- C58 H48 Cl4 N4 O8 Ti2 -","2","1","","Avia Tzubery; Edit Y. Tshuva","Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies","Inorganic Chemistry","2012","51","","1796","1804","10.1021/ic202092u","","","0.71073","MoKα","","0.054","0.0483","","","0.1186","0.1222","","","","","","1.074","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328240","14.4108","0.0007","14.823","0.0007","10.9922","0.0005","90","","90","","90","","2348.06","0.19","90","2","90","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C54 H79 Co -","- C54 H79 Co -","- C108 H158 Co2 -","2","0.5","","Hao Lei; James C. Fettinger; Philip P. Power","Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond","Inorganic Chemistry","2012","51","","1821","1826","10.1021/ic202116s","","","0.71073","MoKα","","0.0535","0.0467","","","0.1155","0.1211","","","","","","1.067","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328241","14.4101","0.0004","14.8119","0.0003","10.9705","0.0002","90","","90","","90","","2341.55","0.09","90","2","90","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C54 H78 Co F -","- C54 H77.98 Co F1.02 -","- C108 H155.96 Co2 F2.04 -","2","0.5","","Hao Lei; James C. Fettinger; Philip P. Power","Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond","Inorganic Chemistry","2012","51","","1821","1826","10.1021/ic202116s","","","1.54178","CuKα","","0.0695","0.0615","","","0.1656","0.175","","","","","","1.06","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328242","16.0295","0.0009","10.4041","0.0006","30.7218","0.0018","90","","99.369","0.001","90","","5055.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 Co F6 K -","- C54 H75 Co F6 K -","- C216 H300 Co4 F24 K4 -","4","1","","Hao Lei; James C. Fettinger; Philip P. Power","Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond","Inorganic Chemistry","2012","51","","1821","1826","10.1021/ic202116s","","","0.71073","MoKα","","0.1057","0.0592","","","0.1593","0.1771","","","","","","1.07","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328243","7.454","0.004","12.28","0.005","12.905","0.005","64.89","0.04","83.52","0.04","88.19","0.04","1062.6","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 Mn N12 -","- C19 H12 Mn N12 -","- C38 H24 Mn2 N24 -","2","1","","Paramita Kar; Rituparna Biswas; Michael G. B. Drew; Antonio Frontera; Ashutosh Ghosh","Host-Guest Supramolecular Interactions in the Coordination Compounds of 4,4'-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural Analyses and Theoretical Study","Inorganic Chemistry","2012","51","","1837","1851","10.1021/ic202129a","","","0.71073","MoKα","","0.0928","0.0725","","","0.1895","0.2028","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328244","7.241","0.005","16.985","0.005","12.01","0.005","90","","94.077","0.005","90","","1473.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N10 O2 S2 -","- C24 H24 Mn N10 O2 S2 -","- C48 H48 Mn2 N20 O4 S4 -","2","0.5","","Paramita Kar; Rituparna Biswas; Michael G. B. Drew; Antonio Frontera; Ashutosh Ghosh","Host-Guest Supramolecular Interactions in the Coordination Compounds of 4,4'-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural Analyses and Theoretical Study","Inorganic Chemistry","2012","51","","1837","1851","10.1021/ic202129a","","","0.71073","MoKα","","0.0985","0.0471","","","0.1201","0.1468","","","","","","0.894","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328245","10.961","0.005","14.261","0.005","35.488","0.005","83.934","0.005","84.808","0.005","89.492","0.005","5494","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H88 F24 Mn2 N34 O10 P4 -","- C85 H88 F24 Mn2 N34 O10 P4 -","- C170 H176 F48 Mn4 N68 O20 P8 -","2","1","","Paramita Kar; Rituparna Biswas; Michael G. B. Drew; Antonio Frontera; Ashutosh Ghosh","Host-Guest Supramolecular Interactions in the Coordination Compounds of 4,4'-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural Analyses and Theoretical Study","Inorganic Chemistry","2012","51","","1837","1851","10.1021/ic202129a","","","0.71073","MoKα","","0.1407","0.096","","","0.2644","0.3025","","","","","","1.024","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328246","6.828","0.002","8.706","0.003","8.441","0.003","90","","100.615","0.003","90","","493.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 Ba2 H4 O13 -","- B6 Ba2 H4 O13 -","- B12 Ba4 H8 O26 -","2","1","","Li Wang; Shilie Pan; Lixian Chang; Jianyang Hu; Hongwei Yu","UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units","Inorganic Chemistry","2012","51","","1852","1858","10.1021/ic2021337","","","0.71073","MoKα","","0.0288","0.0287","","","0.0708","0.0709","","","","","","1.146","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328247","13.1973","0.0017","14.5862","0.0018","28.475","0.004","90","","95.635","0.002","90","","5454.9","1.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cu Mn N4 P4 -","- C60 H69 Cu Mn N4 P4 -","- C240 H276 Cu4 Mn4 N16 P16 -","4","1","","Subramaniam Kuppuswamy; Benjamin G. Cooper; Mark W. Bezpalko; Bruce M. Foxman; Tamara M. Powers; Christine M. Thomas","Synthesis and Structural Characterization of High Spin M/Cu (M = Mn, Fe) Heterobimetallic and Fe/Cu2 Trimetallic Phosphinoamides","Inorganic Chemistry","2012","51","","1866","1873","10.1021/ic202165z","","","0.71073","MoKα","","0.0551","0.0359","","0.0876","0.0799","0.0876","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328248","13.1827","0.0008","14.6077","0.0009","28.4509","0.0018","90","","95.017","0.003","90","","5457.8","0.6","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cu Fe N4 P4 -","- C60 H69 Cu Fe N4 P4 -","- C240 H276 Cu4 Fe4 N16 P16 -","4","1","","Subramaniam Kuppuswamy; Benjamin G. Cooper; Mark W. Bezpalko; Bruce M. Foxman; Tamara M. Powers; Christine M. Thomas","Synthesis and Structural Characterization of High Spin M/Cu (M = Mn, Fe) Heterobimetallic and Fe/Cu2 Trimetallic Phosphinoamides","Inorganic Chemistry","2012","51","","1866","1873","10.1021/ic202165z","","","0.71073","MoKα","","0.0378","0.0344","","0.0927","0.0808","0.0927","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328249","18.0727","0.0007","12.9863","0.0005","26.6258","0.0011","90","","101.735","0.002","90","","6118.4","0.4","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 Cu2 Fe N4 O P4 -","- C64 H78 Cu2 Fe N4 O P4 -","- C256 H312 Cu8 Fe4 N16 O4 P16 -","4","1","","Subramaniam Kuppuswamy; Benjamin G. Cooper; Mark W. Bezpalko; Bruce M. Foxman; Tamara M. Powers; Christine M. Thomas","Synthesis and Structural Characterization of High Spin M/Cu (M = Mn, Fe) Heterobimetallic and Fe/Cu2 Trimetallic Phosphinoamides","Inorganic Chemistry","2012","51","","1866","1873","10.1021/ic202165z","","","0.71073","MoKα","","0.0441","0.0277","","0.078","0.0664","0.078","","","","","","1.0207","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328250","16.687","0.002","16.687","0.002","38.706","0.006","90","","90","","120","","9334","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H132 F6 N20 Ni3 O12 -","- C114 H132 F6 N20 Ni3 O12 -","- C342 H396 F18 N60 Ni9 O36 -","3","0.166667","","Long Jiang; Xian-Rui Meng; Hua Xiang; Ping Ju; Di-Chang Zhong; Tong-Bu Lu","Variations of Structures and Gas Sorption Properties of Three Coordination Polymers Induced by Fluorine Atom Positions in Azamacrocyclic Ligands","Inorganic Chemistry","2012","51","","1874","1880","10.1021/ic202168r","","","1.54178","CuKα","","0.0924","0.068","","","0.2042","0.218","","","","","","0.934","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328251","25.2196","0.0002","25.2196","0.0002","13.2361","0.0001","90","","90","","120","","7290.66","0.1","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C132 H186 F6 N26 Ni3 O24 -","- C132 H174 F6 N26 Ni3 O24 -","- C264 H348 F12 N52 Ni6 O48 -","2","0.166667","","Long Jiang; Xian-Rui Meng; Hua Xiang; Ping Ju; Di-Chang Zhong; Tong-Bu Lu","Variations of Structures and Gas Sorption Properties of Three Coordination Polymers Induced by Fluorine Atom Positions in Azamacrocyclic Ligands","Inorganic Chemistry","2012","51","","1874","1880","10.1021/ic202168r","","","1.54178","CuKα","","0.069","0.0662","","","0.2091","0.214","","","","","","1.09","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328252","25.2592","0.0004","25.2592","0.0004","13.1462","0.0003","90","","90","","120","","7263.9","0.2","110","2","110","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C132 H186 F6 N26 Ni3 O24 -","- C132 H174 F6 N26 Ni3 O24 -","- C264 H348 F12 N52 Ni6 O48 -","2","0.166667","","Long Jiang; Xian-Rui Meng; Hua Xiang; Ping Ju; Di-Chang Zhong; Tong-Bu Lu","Variations of Structures and Gas Sorption Properties of Three Coordination Polymers Induced by Fluorine Atom Positions in Azamacrocyclic Ligands","Inorganic Chemistry","2012","51","","1874","1880","10.1021/ic202168r","","","1.54178","CuKα","","0.0548","0.0441","","","0.1466","0.1506","","","","","","1.097","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328253","33.82","0.02","14.735","0.01","12.474","0.009","90","","97.48","0.013","90","","6163","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraammineaqua(sulfur dioxide)ruthenium(II) (±)-camphorsulfonate","","- C20 H44 N4 O11 Ru S3 -","- C20 H44 N4 O11 Ru S3 -","- C160 H352 N32 O88 Ru8 S24 -","8","1","","Anthony E. Phillips; Jacqueline M. Cole; Thierry d'Almeida; Kian Sing Low","Ru-OSO Coordination Photogenerated at 100 K in Tetraammineaqua(sulfur dioxide)ruthenium(II) (\±)-Camphorsulfonate","Inorganic Chemistry","2012","51","","1204","1206","10.1021/ic2021808","","","0.71073","MoKα","","0.1346","0.1033","","","0.1833","0.2045","","","","","","1.067","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328254","33.98","0.03","14.807","0.012","12.566","0.01","90","","97.44","0.01","90","","6269","9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraammineaqua(sulfur dioxide)ruthenium(II) (±)-camphorsulfonate","","- C20 H44 N4 O11 Ru S3 -","- C20 H44 N4 O11 Ru S3 -","- C160 H352 N32 O88 Ru8 S24 -","8","1","","Anthony E. Phillips; Jacqueline M. Cole; Thierry d'Almeida; Kian Sing Low","Ru-OSO Coordination Photogenerated at 100 K in Tetraammineaqua(sulfur dioxide)ruthenium(II) (\±)-Camphorsulfonate","Inorganic Chemistry","2012","51","","1204","1206","10.1021/ic2021808","","","0.71073","MoKα","","0.1473","0.1301","","","0.2179","0.2296","","","","","","1.202","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328255","33.99","0.02","14.804","0.011","12.54","0.009","90","","97.512","0.009","90","","6256","7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraammineaqua(sulfur dioxide)ruthenium(II) (±)-camphorsulfonate","","- C20 H44 N4 O11 Ru S3 -","- C20 H44 N4 O11 Ru S3 -","- C160 H352 N32 O88 Ru8 S24 -","8","1","","Anthony E. Phillips; Jacqueline M. Cole; Thierry d'Almeida; Kian Sing Low","Ru-OSO Coordination Photogenerated at 100 K in Tetraammineaqua(sulfur dioxide)ruthenium(II) (\±)-Camphorsulfonate","Inorganic Chemistry","2012","51","","1204","1206","10.1021/ic2021808","","","0.71073","MoKα","","0.147","0.1309","","","0.2215","0.2319","","","","","","1.218","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328256","33.9","0.03","14.758","0.011","12.505","0.009","90","","97.609","0.009","90","","6201","8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraammineaqua(sulfur dioxide)ruthenium(II) (±)-camphorsulfonate","","- C20 H44 N4 O11 Ru S3 -","- C20 H44 N4 O11.002 Ru S3.001 -","- C160 H352 N32 O88.016 Ru8 S24.008 -","8","1","","Anthony E. Phillips; Jacqueline M. Cole; Thierry d'Almeida; Kian Sing Low","Ru-OSO Coordination Photogenerated at 100 K in Tetraammineaqua(sulfur dioxide)ruthenium(II) (\±)-Camphorsulfonate","Inorganic Chemistry","2012","51","","1204","1206","10.1021/ic2021808","","","0.71073","MoKα","","0.1429","0.1267","","","0.2157","0.2258","","","","","","1.199","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328257","10.4434","0.0018","10.0699","0.0018","13.658","0.002","90","","94.526","0.002","90","","1431.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cu N5 -","- C11 H22 Cu N5 -","- C44 H88 Cu4 N20 -","4","1","","Aalo K. Gupta; William B. Tolman","Cu(I)/O2 Chemistry Using a β-Diketiminate Supporting Ligand Derived from N,N-Dimethylhydrazine: A [Cu3O2]3+ Complex with Novel Reactivity","Inorganic Chemistry","2012","51","","1881","1888","10.1021/ic202214c","","","0.71073","MoKα","","0.0541","0.0386","","","0.0981","0.108","","","","","","0.985","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328258","12.7185","0.0005","11.2726","0.0005","19.1425","0.0007","90","","109.766","0.002","90","","2582.77","0.18","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","α-Au2[1,2bis(diphenylarsine)ethane]Cl2","","","- C26 H24 As2 Au2 Cl2 -","- C26 H24 As2 Au2 Cl2 -","- C104 H96 As8 Au8 Cl8 -","4","1","","Sang Ho Lim; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Polymorphs and Aurophilic Interactions in Colorless Crystals of Au2(μ-1,2 bis-(diphenylarsino)ethane)X2, (X = Cl, Br, I)","Inorganic Chemistry","2012","51","","1925","1932","10.1021/ic2022165","","","0.71073","MoKα","","0.0238","0.0174","","","0.0366","0.0386","","","","","","1.069","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328259","11.4453","0.0006","11.5553","0.0006","21.0671","0.0011","85.9628","0.0007","80.4396","0.0007","69.7158","0.0007","2576.9","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","β-Au2[1,2bis(diphenylarsine)ethane]Cl2","","","- C26 H24 As2 Au2 Cl2 -","- C26 H24 As2 Au2 Cl2 -","- C104 H96 As8 Au8 Cl8 -","4","2","","Sang Ho Lim; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Polymorphs and Aurophilic Interactions in Colorless Crystals of Au2(μ-1,2 bis-(diphenylarsino)ethane)X2, (X = Cl, Br, I)","Inorganic Chemistry","2012","51","","1925","1932","10.1021/ic2022165","","","0.71073","MoKα","","0.0376","0.0278","","","0.0605","0.0637","","","","","","1.023","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328260","12.8317","0.0007","11.4253","0.0006","19.4144","0.0009","90","","110.402","0.003","90","","2667.7","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","α-Au2[1,2bis(diphenylarsine)ethane]Br2","","","- C26 H24 As2 Au2 Br2 -","- C26 H24 As2 Au2 Br2 -","- C104 H96 As8 Au8 Br8 -","4","1","","Sang Ho Lim; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Polymorphs and Aurophilic Interactions in Colorless Crystals of Au2(μ-1,2 bis-(diphenylarsino)ethane)X2, (X = Cl, Br, I)","Inorganic Chemistry","2012","51","","1925","1932","10.1021/ic2022165","","","0.71073","MoKα","","0.0328","0.0225","","","0.0445","0.0473","","","","","","1.035","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328261","11.5476","0.0011","15.3861","0.0014","30.518","0.003","90","","100.319","0.002","90","","5334.5","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","β-Au2[1,2bis(diphenylarsine)ethane]Br2","","","- C26 H24 As2 Au2 Br2 -","- C26 H24 As2 Au2 Br2 -","- C208 H192 As16 Au16 Br16 -","8","2","","Sang Ho Lim; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Polymorphs and Aurophilic Interactions in Colorless Crystals of Au2(μ-1,2 bis-(diphenylarsino)ethane)X2, (X = Cl, Br, I)","Inorganic Chemistry","2012","51","","1925","1932","10.1021/ic2022165","","","0.71073","MoKα","","0.1005","0.0407","","","0.1022","0.1479","","","","","","0.83","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328262","13.0586","0.0004","11.7775","0.0004","19.7245","0.0005","90","","111.741","0.002","90","","2817.8","0.15","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","α-Au2[1,2bis(diphenylarsine)ethane]I2","","","- C26 H24 As2 Au2 I2 -","- C26 H24 As2 Au2 I2 -","- C104 H96 As8 Au8 I8 -","4","1","","Sang Ho Lim; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Polymorphs and Aurophilic Interactions in Colorless Crystals of Au2(μ-1,2 bis-(diphenylarsino)ethane)X2, (X = Cl, Br, I)","Inorganic Chemistry","2012","51","","1925","1932","10.1021/ic2022165","","","0.71073","MoKα","","0.0178","0.0151","","","0.0333","0.0341","","","","","","1.081","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328263","11.5408","0.0007","12.1003","0.0008","12.3726","0.0008","115.888","0.001","93.849","0.001","111.803","0.001","1387.78","0.16","90","2","90","2","","","","","","","","5","P -1","-P 1","2","β-Au2[1,2bis(diphenylarsine)ethane]I2","","","- C26 H24 As2 Au2 I2 -","- C26 H24 As2 Au2 I2 -","- C52 H48 As4 Au4 I4 -","2","1","","Sang Ho Lim; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Polymorphs and Aurophilic Interactions in Colorless Crystals of Au2(μ-1,2 bis-(diphenylarsino)ethane)X2, (X = Cl, Br, I)","Inorganic Chemistry","2012","51","","1925","1932","10.1021/ic2022165","","","0.71073","MoKα","","0.0181","0.0164","","","0.0409","0.0414","","","","","","1.196","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328264","11.722","0.002","24.811","0.005","12.343","0.003","90","","93.12","0.03","90","","3584.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H82 O4 P4 Ru Si2 -","- C82 H82 O4 P4 Ru Si2 -","- C164 H164 O8 P8 Ru2 Si4 -","2","0.5","","Evelyn Wuttke; Florian Pevny; Yves-Marie Hervault; Lucie Norel; Malte Drescher; Rainer F. Winter; Stéphane Rigaut","Fully Delocalized (Ethynyl)(vinyl)phenylene Bridged Triruthenium Complexes in up to Five Different Oxidation States","Inorganic Chemistry","2012","51","","1902","1915","10.1021/ic2022177","","","0.71073","MoKα","","0.0384","0.0283","","","0.0639","0.0666","","","","","","1.028","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328265","12.257","0.003","12.894","0.003","22.377","0.005","85.37","0.03","75.26","0.03","87.5","0.03","3408","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H132 Cl8 O8 P8 Ru2 -","- C156 H132 Cl8 O8 P8 Ru2 -","- C156 H132 Cl8 O8 P8 Ru2 -","1","0.5","","Evelyn Wuttke; Florian Pevny; Yves-Marie Hervault; Lucie Norel; Malte Drescher; Rainer F. Winter; Stéphane Rigaut","Fully Delocalized (Ethynyl)(vinyl)phenylene Bridged Triruthenium Complexes in up to Five Different Oxidation States","Inorganic Chemistry","2012","51","","1902","1915","10.1021/ic2022177","","","0.71073","MoKα","","0.1108","0.0601","","","0.1184","0.1335","","","","","","0.962","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328266","9.2229","0.0018","11.547","0.002","18.729","0.004","96.58","0.03","93.34","0.03","110.62","0.03","1844","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H100 Cl14 O4 P4 Ru2 -","- C54 H100 Cl14 O4 P4 Ru2 -","- C54 H100 Cl14 O4 P4 Ru2 -","1","0.5","","Evelyn Wuttke; Florian Pevny; Yves-Marie Hervault; Lucie Norel; Malte Drescher; Rainer F. Winter; Stéphane Rigaut","Fully Delocalized (Ethynyl)(vinyl)phenylene Bridged Triruthenium Complexes in up to Five Different Oxidation States","Inorganic Chemistry","2012","51","","1902","1915","10.1021/ic2022177","","","0.71073","MoKα","","0.0724","0.0646","","","0.1677","0.1705","","","","","","1.227","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328267","8.8205","0.0018","11.857","0.002","16.901","0.003","98.24","0.03","92.59","0.03","106.72","0.03","1668.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H100 Cl10 O2 P4 Ru2 -","- C52 H100 Cl10 O2 P4 Ru2 -","- C52 H100 Cl10 O2 P4 Ru2 -","1","0.5","","Evelyn Wuttke; Florian Pevny; Yves-Marie Hervault; Lucie Norel; Malte Drescher; Rainer F. Winter; Stéphane Rigaut","Fully Delocalized (Ethynyl)(vinyl)phenylene Bridged Triruthenium Complexes in up to Five Different Oxidation States","Inorganic Chemistry","2012","51","","1902","1915","10.1021/ic2022177","","","0.71073","MoKα","","0.0381","0.0339","","","0.0823","0.0838","","","","","","1.056","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328268","15.5976","0.0007","14.0158","0.0007","23.0456","0.0011","90","","98.178","0.002","90","","4986.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 N18 O3 Ru2 -","- C55 H42 N18 O3 Ru2 -","- C220 H168 N72 O12 Ru8 -","4","1","","Nora Planas; Gemma Christian; Stephan Roeser; Elena Mas-Marzá; Mohan-Rao Kollipara; Jordi Benet-Buchholz; Feliu Maseras; Antoni Llobet","Substitution Reactions in Dinuclear Ru-Hbpp Complexes: an Evaluation of Through-Space Interactions","Inorganic Chemistry","2012","51","","1889","1901","10.1021/ic202225g","","","0.71073","MoKα","","0.0824","0.0593","","","0.1372","0.1496","","","","","","1.128","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328269","14.5367","0.0006","15.9696","0.0006","17.9748","0.0007","92.694","0.002","110.779","0.002","113.366","0.002","3494.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H61 F18 N12 O4 P3 Ru2 -","- C61.97 H60.94 F18 N12 O3.99 P3 Ru2 -","- C123.94 H121.88 F36 N24 O7.98 P6 Ru4 -","2","1","","Nora Planas; Gemma Christian; Stephan Roeser; Elena Mas-Marzá; Mohan-Rao Kollipara; Jordi Benet-Buchholz; Feliu Maseras; Antoni Llobet","Substitution Reactions in Dinuclear Ru-Hbpp Complexes: an Evaluation of Through-Space Interactions","Inorganic Chemistry","2012","51","","1889","1901","10.1021/ic202225g","","","0.71073","MoKα","","0.1021","0.0621","","","0.1737","0.2077","","","","","","1.024","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328270","13.2188","0.0003","15.995","0.0005","16.5739","0.0005","73.258","0.001","74.33","0.001","69.045","0.001","3078.63","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Cl3 N14 O12.5 Ru2 -","- C61 H56 Cl3 N14 O12.5 Ru2 -","- C122 H112 Cl6 N28 O25 Ru4 -","2","1","","Nora Planas; Gemma Christian; Stephan Roeser; Elena Mas-Marzá; Mohan-Rao Kollipara; Jordi Benet-Buchholz; Feliu Maseras; Antoni Llobet","Substitution Reactions in Dinuclear Ru-Hbpp Complexes: an Evaluation of Through-Space Interactions","Inorganic Chemistry","2012","51","","1889","1901","10.1021/ic202225g","","","0.71073","MoKα","","0.1114","0.0566","","","0.1096","0.1324","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328271","13.2129","0.0004","19.9774","0.0005","23.3886","0.0006","90","","93.961","0.002","90","","6158.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56.7 H54.8 F18 N12 O2 P3 Ru2 -","- C56.7 H54.8 F18 N12 O2 P3 Ru2 -","- C226.8 H219.2 F72 N48 O8 P12 Ru8 -","4","1","","Nora Planas; Gemma Christian; Stephan Roeser; Elena Mas-Marzá; Mohan-Rao Kollipara; Jordi Benet-Buchholz; Feliu Maseras; Antoni Llobet","Substitution Reactions in Dinuclear Ru-Hbpp Complexes: an Evaluation of Through-Space Interactions","Inorganic Chemistry","2012","51","","1889","1901","10.1021/ic202225g","","","0.71073","MoKα","","0.1085","0.0555","","","0.1267","0.153","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328272","12.1634","0.0006","14.6606","0.0008","20.4082","0.001","98.513","0.003","105.328","0.003","101.768","0.003","3356.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H63 F18 N12 O4 P3 Ru2 -","- C61 H63 F18 N12 O4 P3 Ru2 -","- C122 H126 F36 N24 O8 P6 Ru4 -","2","1","","Nora Planas; Gemma Christian; Stephan Roeser; Elena Mas-Marzá; Mohan-Rao Kollipara; Jordi Benet-Buchholz; Feliu Maseras; Antoni Llobet","Substitution Reactions in Dinuclear Ru-Hbpp Complexes: an Evaluation of Through-Space Interactions","Inorganic Chemistry","2012","51","","1889","1901","10.1021/ic202225g","","","0.71073","MoKα","","0.1393","0.0949","","","0.2618","0.3053","","","","","","1.092","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328273","8.9364","0.0012","39.603","0.007","16.206","0.003","90","","95.571","0.006","90","","5708.3","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H41 F18 N12 O P3 Ru2 -","- C50 H41 F18 N12 O P3 Ru2 -","- C200 H164 F72 N48 O4 P12 Ru8 -","4","1","","Nora Planas; Gemma Christian; Stephan Roeser; Elena Mas-Marzá; Mohan-Rao Kollipara; Jordi Benet-Buchholz; Feliu Maseras; Antoni Llobet","Substitution Reactions in Dinuclear Ru-Hbpp Complexes: an Evaluation of Through-Space Interactions","Inorganic Chemistry","2012","51","","1889","1901","10.1021/ic202225g","","","0.71073","MoKα","","0.1444","0.0647","","","0.1639","0.204","","","","","","1.008","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328274","8.9687","0.0003","6.5305","0.0002","7.6587","0.0002","90","","113.382","0.001","90","","411.73","0.02","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- H3 K Ni2 O10 Se2 -","- H3 K Ni2 O10 Se2 -","- H6 K2 Ni4 O20 Se4 -","2","0.25","","Wassim Maalej; Serge Vilminot; Gilles André; Zakaria Elaoud; Tahar Mhiri; Mohamedally Kurmoo","Crystal and Magnetic Structures and Magnetic Properties of Selenate Containing Natrochalcite, AIMII2(H3O2)(SeO4)2 Where A = Na or K and M = Mn, Co, or Ni","Inorganic Chemistry","2012","51","","1953","1962","10.1021/ic202273e","","","0.71069","MoKα","","0.0117","0.0112","","","0.0295","0.0301","","","","","","1.009","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328275","8.8476","0.0004","6.2451","0.0003","7.4883","0.0004","90","","114.531","0.001","90","","376.41","0.03","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- H3 Na Ni2 O10 Se2 -","- H3 Na Ni2 O10 Se2 -","- H6 Na2 Ni4 O20 Se4 -","2","0.25","","Wassim Maalej; Serge Vilminot; Gilles André; Zakaria Elaoud; Tahar Mhiri; Mohamedally Kurmoo","Crystal and Magnetic Structures and Magnetic Properties of Selenate Containing Natrochalcite, AIMII2(H3O2)(SeO4)2 Where A = Na or K and M = Mn, Co, or Ni","Inorganic Chemistry","2012","51","","1953","1962","10.1021/ic202273e","","","0.71069","MoKα","","0.0145","0.0142","","","0.0403","0.0404","","","","","","1.176","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328276","8.9024","0.0007","14.2796","0.0011","15.0637","0.0011","90","","95.068","0.001","90","","1907.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Al3 Co N O16 P4 -","- C4 Al3.002 Co0.998 N O16 P4 -","- C16 Al12.008 Co3.992 N4 O64 P16 -","4","1","","Zhuo Liu; Xiaowei Song; Jiyang Li; Yi Li; Jihong Yu; Ruren Xu","|(C4NH12)4|[M4Al12P16O64] (M = Co, Zn): New Heteroatom-Containing Aluminophosphate Molecular Sieves with Two Intersecting 8-Ring Channels","Inorganic Chemistry","2012","51","","1969","1974","10.1021/ic2022903","","","0.71073","MoKα","","0.0682","0.0478","","","0.1235","0.1335","","","","","","1.107","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328277","8.885","0.007","14.231","0.011","15.049","0.011","90","","94.957","0.012","90","","1896","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Al3 N O16 P4 Zn -","- C4 Al3 N O16 P4 Zn -","- C16 Al12 N4 O64 P16 Zn4 -","4","1","","Zhuo Liu; Xiaowei Song; Jiyang Li; Yi Li; Jihong Yu; Ruren Xu","|(C4NH12)4|[M4Al12P16O64] (M = Co, Zn): New Heteroatom-Containing Aluminophosphate Molecular Sieves with Two Intersecting 8-Ring Channels","Inorganic Chemistry","2012","51","","1969","1974","10.1021/ic2022903","","","0.71073","MoKα","","0.0854","0.0562","","","0.1494","0.1642","","","","","","1.045","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328278","9.0134","0.0006","18.0329","0.0012","12.8011","0.0008","90","","107.774","0.001","90","","1981.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F3 N2 O2 S -","- C21 H19 F3 N2 O2 S -","- C84 H76 F12 N8 O8 S4 -","4","1","","Vivian C. Ezeh; Todd C. Harrop","A Sensitive and Selective Fluorescence Sensor for the Detection of Arsenic(III) in Organic Media","Inorganic Chemistry","2012","51","","1213","1215","10.1021/ic2023715","","","0.71073","MoKα","","0.099","0.0581","","","0.1464","0.1696","","","","","","1.027","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328279","15.1978","0.0019","21.57","0.002","27.257","0.003","90","","90","","90","","8935.3","1.7","223","2","223","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C84 H198 In18 Mn2 N28 O Te30 -","- C84 H136 In18 Mn2 N28 O Te30 -","- C168 H272 In36 Mn4 N56 O2 Te60 -","2","0.25","","Yu-Hong Wang; Wen Luo; Jian-Bing Jiang; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","A Wheel-Shaped Indium-Telluride Nanocluster [In18Te30(dach)6]6-: Its Formation and Structure","Inorganic Chemistry","2012","51","","1219","1221","10.1021/ic202490q","","","0.71075","MoKα","","0.098","0.0785","","","0.1495","0.1583","","","","","","1.189","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328280","14.0828","0.001","29.6541","0.0019","17.4065","0.0012","90","","105.545","0.002","90","","7003.3","0.8","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H88 In5 Mn2 N12 O2 Te10 -","- C36 H60 In5 Mn2 N12 O2 Te10 -","- C144 H240 In20 Mn8 N48 O8 Te40 -","4","1","","Yu-Hong Wang; Wen Luo; Jian-Bing Jiang; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","A Wheel-Shaped Indium-Telluride Nanocluster [In18Te30(dach)6]6-: Its Formation and Structure","Inorganic Chemistry","2012","51","","1219","1221","10.1021/ic202490q","","","0.71075","MoKα","","0.1389","0.0889","","","0.1335","0.1534","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328281","8.9439","0.0008","9.6273","0.0008","16.6354","0.0014","91.763","0.003","102.369","0.003","100.716","0.003","1371","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H41 Cl O2 Ru Sn2 -","- C23 H41 Cl O2 Ru Sn2 -","- C46 H82 Cl2 O4 Ru2 Sn4 -","2","1","","Holger Braunschweig; Rainer Dörfler; Kai Hammond; Thomas Kramer; Jan Mies; Krzysztof Radacki; Marius Schäfer","Synthesis and Structure of Distanna and Tristanna Ansa Half-Sandwich Complexes of Ruthenium and Nickel","Inorganic Chemistry","2012","51","","1225","1227","10.1021/ic202512y","","","0.71073","MoKα","","0.0173","0.0157","","","0.0381","0.0389","","","","","","1.042","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328282","17.1866","0.0014","10.9803","0.0009","28.805","0.002","90","","94.894","0.001","90","","5416.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 Cl Ni O Sn2 -","- C22 H41 Cl Ni O Sn2 -","- C176 H328 Cl8 Ni8 O8 Sn16 -","8","2","","Holger Braunschweig; Rainer Dörfler; Kai Hammond; Thomas Kramer; Jan Mies; Krzysztof Radacki; Marius Schäfer","Synthesis and Structure of Distanna and Tristanna Ansa Half-Sandwich Complexes of Ruthenium and Nickel","Inorganic Chemistry","2012","51","","1225","1227","10.1021/ic202512y","","","0.71073","MoKα","","0.0424","0.0315","","","0.0675","0.0732","","","","","","1.049","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328283","8.9773","0.0004","9.5391","0.0005","16.3991","0.0008","105.41","0.002","90.996","0.002","101.282","0.002","1324.12","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H40 O2 Ru Sn2 -","- C23 H40 O2 Ru Sn2 -","- C46 H80 O4 Ru2 Sn4 -","2","1","","Holger Braunschweig; Rainer Dörfler; Kai Hammond; Thomas Kramer; Jan Mies; Krzysztof Radacki; Marius Schäfer","Synthesis and Structure of Distanna and Tristanna Ansa Half-Sandwich Complexes of Ruthenium and Nickel","Inorganic Chemistry","2012","51","","1225","1227","10.1021/ic202512y","","","0.71073","MoKα","","0.0189","0.0167","","","0.0393","0.0403","","","","","","1.025","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328284","10.8423","0.0006","11.1459","0.0006","17.0318","0.0009","102.351","0.002","107.504","0.002","93.868","0.002","1898.22","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H58 Ni O Sn3 -","- C30 H58 Ni O Sn3 -","- C60 H116 Ni2 O2 Sn6 -","2","1","","Holger Braunschweig; Rainer Dörfler; Kai Hammond; Thomas Kramer; Jan Mies; Krzysztof Radacki; Marius Schäfer","Synthesis and Structure of Distanna and Tristanna Ansa Half-Sandwich Complexes of Ruthenium and Nickel","Inorganic Chemistry","2012","51","","1225","1227","10.1021/ic202512y","","","0.71073","MoKα","","0.021","0.0187","","","0.0581","0.0593","","","","","","1.019","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328285","12.137","0.005","12.137","0.005","13.995","0.005","90","0.005","90","0.005","120","0.005","1785.4","1.2","113","2","113","","","","","","","","","6","P -6 c 2","P -6c 2","188","","","","- C5 H2.5 Co0.5 Fe0.5 O1.5 S -","- C4.954 H2.385 Co0.477 Fe0.523 O1.569 S -","- C59.448 H28.62 Co5.724 Fe6.276 O18.828 S12 -","12","1","","Satoru Tsukada; Yusuke Shibata; Ryota Sakamoto; Tetsuya Kambe; Tomoji Ozeki; Hiroshi Nishihara","Ir3Co6 and Co3Fe3 Dithiolene Cluster Complexes: Multiple Metal-Metal Bond Formation and Correlation between Structure and Internuclear Electronic Communication","Inorganic Chemistry","2012","51","","1228","1230","10.1021/ic202548g","","","0.71069","MoKα","","","0.0824","","","","0.2547","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328286","15.602","0.005","21.259","0.006","22.675","0.007","77.216","0.009","83.601","0.008","86.193","0.009","7282","4","113","2","113","","","","","","","","","6","P -1","-P 1","2","","","","- C61.5 H57 Co6 Ir3 O15 S6 -","- C63 H60.5 Co6 Ir3 O15 S6 -","- C252 H242 Co24 Ir12 O60 S24 -","4","2","","Satoru Tsukada; Yusuke Shibata; Ryota Sakamoto; Tetsuya Kambe; Tomoji Ozeki; Hiroshi Nishihara","Ir3Co6 and Co3Fe3 Dithiolene Cluster Complexes: Multiple Metal-Metal Bond Formation and Correlation between Structure and Internuclear Electronic Communication","Inorganic Chemistry","2012","51","","1228","1230","10.1021/ic202548g","","","0.7107","MoKα","","","0.0973","","","","0.2822","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328287","12.7886","0.0007","10.9248","0.0006","23.734","0.0012","90","","104.032","0.001","90","","3217","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Dy4 N24 O18 -","- C52 H48 Dy4 N24 O18 -","- C104 H96 Dy8 N48 O36 -","2","0.5","","Peng-Hu Guo; Jun-Liang Liu; Ze-Min Zhang; Liviu Ungur; Liviu F. Chibotaru; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong","The First {Dy4} Single-Molecule Magnet with a Toroidal Magnetic Moment in the Ground State","Inorganic Chemistry","2012","51","","1233","1235","10.1021/ic202650f","","","0.71073","MoKα","","0.0491","0.0388","","","0.0835","0.0884","","","","","","1.088","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328288","15.2724","0.0019","16.107","0.002","18.664","0.003","90","","90","","90","","4591.2","1.1","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H47 Cl2 Cu F6 N3 P Sb -","- C46 H47 Cl2 Cu F6 N3 P Sb -","- C184 H188 Cl8 Cu4 F24 N12 P4 Sb4 -","4","1","","Jun Matsumoto; Yuji Kajita; Hideki Masuda","Synthesis, Characterization, and Reactivity of a Novel μ-η2:η2-Diselenidodicopper(II) Complex","Inorganic Chemistry","2012","51","","1236","1238","10.1021/ic202690e","","","0.7107","MoKα","","","0.0582","","","","0.1675","","","","","","1.015","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328289","10.7328","0.0013","12.6019","0.0016","13.1529","0.0016","98.7432","0.0018","91.8632","0.0012","97.4674","0.0017","1740.9","0.4","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H84 Cu2 F12 N8 O2 Sb2 Se2 -","- C62 H84 Cu2 F12 N8 O2 Sb2 Se2 -","- C62 H84 Cu2 F12 N8 O2 Sb2 Se2 -","1","0.5","","Jun Matsumoto; Yuji Kajita; Hideki Masuda","Synthesis, Characterization, and Reactivity of a Novel μ-η2:η2-Diselenidodicopper(II) Complex","Inorganic Chemistry","2012","51","","1236","1238","10.1021/ic202690e","","","0.7107","MoKα","","","0.0299","","","","0.0767","","","","","","1.055","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328290","21.85","0.03","21.85","0.03","11.41","0.03","90","","90","","90","","5447","18","110","2","110","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C52 H12 Au4 F32 N8 -","- C52 H12 Au4 F32 N8 -","- C208 H48 Au16 F128 N32 -","4","0.25","","Hanan E. Abdou; Ahmed A. Mohamed; José M. López-de-Luzuriaga; Miguel Monge; John P. Fackler","Fine-Tuning the Luminescence and HOMO-LUMO Energy Levels in Tetranuclear Gold(I) Fluorinated Amidinate Complexes","Inorganic Chemistry","2012","51","","2010","2015","10.1021/ic2010634","","","0.71073","MoKα","","0.0621","0.0361","","","0.0986","0.1187","","","","","","1.107","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328291","30.64","0.03","11.801","0.01","21.78","0.02","90","","133.891","0.015","90","","5675","9","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H4 Au4 F40 N8 -","- C52 H4 Au4 F40 N8 -","- C208 H16 Au16 F160 N32 -","4","0.5","","Hanan E. Abdou; Ahmed A. Mohamed; José M. López-de-Luzuriaga; Miguel Monge; John P. Fackler","Fine-Tuning the Luminescence and HOMO-LUMO Energy Levels in Tetranuclear Gold(I) Fluorinated Amidinate Complexes","Inorganic Chemistry","2012","51","","2010","2015","10.1021/ic2010634","","","0.71073","MoKα","","0.1964","0.1281","","","0.2532","0.2132","","","","","","1.115","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328292","9.565","0.002","9.6172","0.0019","16.93","0.003","85.68","0.03","74.46","0.03","78.1","0.03","1467.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 P2 S2 Se2 -","- C32 H24 P2 S2 Se2 -","- C64 H48 P4 S4 Se4 -","2","1","","Qun Zhao; Jason L. Freeman; Jianwei Wang; Yuanli Zhang; Tracy P. Hamilton; Christopher M. Lawson; Gary M. Gray","Syntheses, X-ray Crystal Structures, and Optical, Fluorescence, and Nonlinear Optical Characterizations of Diphenylphosphino-Substituted Bithiophenes","Inorganic Chemistry","2012","51","","2016","2030","10.1021/ic201309k","","","0.71073","MoKα","","0.07","0.0458","","","0.1199","0.1335","","","","","","1.06","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328293","9.4687","0.0019","9.6133","0.0019","21.395","0.004","82","0.03","80.68","0.03","78.17","0.03","1869.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 P S3 -","- C20 H15 P S3 -","- C80 H60 P4 S12 -","4","2","","Qun Zhao; Jason L. Freeman; Jianwei Wang; Yuanli Zhang; Tracy P. Hamilton; Christopher M. Lawson; Gary M. Gray","Syntheses, X-ray Crystal Structures, and Optical, Fluorescence, and Nonlinear Optical Characterizations of Diphenylphosphino-Substituted Bithiophenes","Inorganic Chemistry","2012","51","","2016","2030","10.1021/ic201309k","","","0.71073","MoKα","","0.0698","0.048","","","0.1291","0.141","","","","","","1.059","","","","has coordinates,has disorder","179385","2020-10-21","18:00:00",""
"4328294","6.2348","0.0012","8.597","0.0017","17.503","0.004","79.99","0.03","83.97","0.03","70.75","0.03","871.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 O P S2 -","- C20 H15 O P S2 -","- C40 H30 O2 P2 S4 -","2","1","","Qun Zhao; Jason L. Freeman; Jianwei Wang; Yuanli Zhang; Tracy P. Hamilton; Christopher M. Lawson; Gary M. Gray","Syntheses, X-ray Crystal Structures, and Optical, Fluorescence, and Nonlinear Optical Characterizations of Diphenylphosphino-Substituted Bithiophenes","Inorganic Chemistry","2012","51","","2016","2030","10.1021/ic201309k","","","0.71073","MoKα","","0.0658","0.0537","","","0.1578","0.169","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328295","9.4366","0.0019","11.474","0.002","17.698","0.004","90","","102.12","0.03","90","","1873.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 O2 P S2 -","- C21 H17 O2 P S2 -","- C84 H68 O8 P4 S8 -","4","1","","Qun Zhao; Jason L. Freeman; Jianwei Wang; Yuanli Zhang; Tracy P. Hamilton; Christopher M. Lawson; Gary M. Gray","Syntheses, X-ray Crystal Structures, and Optical, Fluorescence, and Nonlinear Optical Characterizations of Diphenylphosphino-Substituted Bithiophenes","Inorganic Chemistry","2012","51","","2016","2030","10.1021/ic201309k","","","0.71073","MoKα","","0.0557","0.041","","","0.1106","0.1232","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328296","6.9843","0.001","10.8837","0.0016","34.554","0.005","90","","90.068","0.002","90","","2626.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N9 O4 P -","- C24 H34 N9 O4 P -","- C96 H136 N36 O16 P4 -","4","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; Sourav Das; Marguerite Kalisz; Rodolphe Clérac","Cyclo- and Carbophosphazene-Supported Ligands for the Assembly of Heterometallic (Cu2+/Ca2+, Cu2+/Dy3+, Cu2+/Tb3+) Complexes: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","2031","2038","10.1021/ic201463g","","","0.71073","MoKα","","0.0786","0.053","","","0.1315","0.1597","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328297","12.016","0.004","16.687","0.006","17.234","0.006","111.156","0.006","105.857","0.007","97.961","0.008","2989.8","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H62 N7 O10 P3 -","- C63 H62 N7 O10 P3 -","- C126 H124 N14 O20 P6 -","2","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; Sourav Das; Marguerite Kalisz; Rodolphe Clérac","Cyclo- and Carbophosphazene-Supported Ligands for the Assembly of Heterometallic (Cu2+/Ca2+, Cu2+/Dy3+, Cu2+/Tb3+) Complexes: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","2031","2038","10.1021/ic201463g","","","0.71073","MoKα","","0.1356","0.0813","","","0.2061","0.2535","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328298","10.522","0.005","10.634","0.005","18.997","0.005","86.717","0.005","75.984","0.005","72.967","0.005","1971.6","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H33 Ca Cl3 Cu N11 O13 P -","- C25 H33 Ca Cl3 Cu N11 O13 P -","- C50 H66 Ca2 Cl6 Cu2 N22 O26 P2 -","2","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; Sourav Das; Marguerite Kalisz; Rodolphe Clérac","Cyclo- and Carbophosphazene-Supported Ligands for the Assembly of Heterometallic (Cu2+/Ca2+, Cu2+/Dy3+, Cu2+/Tb3+) Complexes: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","2031","2038","10.1021/ic201463g","","","0.71069","MoKα","","0.1277","0.095","","","0.2592","0.3258","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328299","10.13","0.005","13.63","0.005","14.017","0.005","106.471","0.005","105.804","0.005","102.044","0.005","1697.9","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H68 Ca2 Cu2 N22 O26 P2 -","- C48 H68 Ca2 Cu2 N22 O26 P2 -","- C48 H68 Ca2 Cu2 N22 O26 P2 -","1","0.5","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; Sourav Das; Marguerite Kalisz; Rodolphe Clérac","Cyclo- and Carbophosphazene-Supported Ligands for the Assembly of Heterometallic (Cu2+/Ca2+, Cu2+/Dy3+, Cu2+/Tb3+) Complexes: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","2031","2038","10.1021/ic201463g","","","0.71069","MoKα","","0.0814","0.0609","","","0.1672","0.2126","","","","","","1.079","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328300","18.242","0.005","10.576","0.005","20.575","0.005","90","0.005","102.603","0.005","90","0.005","3874","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cu Dy N13 O17 P -","- C27 H39 Cu Dy N13 O17 P -","- C108 H156 Cu4 Dy4 N52 O68 P4 -","4","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; Sourav Das; Marguerite Kalisz; Rodolphe Clérac","Cyclo- and Carbophosphazene-Supported Ligands for the Assembly of Heterometallic (Cu2+/Ca2+, Cu2+/Dy3+, Cu2+/Tb3+) Complexes: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","2031","2038","10.1021/ic201463g","","","0.71069","MoKα","","0.0799","0.0476","","","0.0964","0.1305","","","","","","1.09","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328301","22.779","0.006","11.403","0.003","20.259","0.006","90","","90.24","0.004","90","","5262","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cu Dy N12 O17 P3 -","- C46 H42 Cu Dy N12 O17 P3 -","- C184 H168 Cu4 Dy4 N48 O68 P12 -","4","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; Sourav Das; Marguerite Kalisz; Rodolphe Clérac","Cyclo- and Carbophosphazene-Supported Ligands for the Assembly of Heterometallic (Cu2+/Ca2+, Cu2+/Dy3+, Cu2+/Tb3+) Complexes: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","2031","2038","10.1021/ic201463g","","","0.71073","MoKα","","0.063","0.0462","","","0.1159","0.135","","","","","","1.047","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328302","22.76","0.006","11.351","0.003","20.303","0.006","90","","90.033","0.005","90","","5245","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cu N12 O17 P3 Tb -","- C46 H42 Cu N12 O17 P3 Tb -","- C184 H168 Cu4 N48 O68 P12 Tb4 -","4","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; Sourav Das; Marguerite Kalisz; Rodolphe Clérac","Cyclo- and Carbophosphazene-Supported Ligands for the Assembly of Heterometallic (Cu2+/Ca2+, Cu2+/Dy3+, Cu2+/Tb3+) Complexes: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","2031","2038","10.1021/ic201463g","","","0.71073","MoKα","","0.0884","0.0558","","","0.1304","0.1537","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328303","19.556","0.005","10.728","0.001","20.801","0.006","90","","116.93","0.02","90","","3890.8","1.7","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 B F4 Fe2 N5 O7 -","- C38 H39 B F4 Fe2 N5 O7 -","- C152 H156 B4 F16 Fe8 N20 O28 -","4","1","","Sarah J. Smith; Rosely A. Peralta; Rafael Jovito; Adolfo Horn; Adailton J. Bortoluzzi; Christopher J. Noble; Graeme R. Hanson; Robert Stranger; Vidura Jayaratne; Germán Cavigliasso; Lawrence R. Gahan; Gerhard Schenk; Otaciro R. Nascimento; Angélica Cavalett; Tiago Bortolotto; Guilherme Razzera; Hernán Terenzi; Ademir Neves; Mark J. Riley","Spectroscopic and Catalytic Characterization of a Functional FeIIIFeII Biomimetic for the Active Site of Uteroferrin and Protein Cleavage","Inorganic Chemistry","2012","51","","2065","2078","10.1021/ic201711p","","x-ray","0.71073","MoKα","","0.2086","0.0692","","","0.167","0.2269","","","","","","0.99","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328304","8.9421","0.0013","11.7434","0.0017","12.4578","0.0018","78.483","0.002","76.823","0.002","88.283","0.002","1247.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound 3","","","- C26 H29 I N4 Zn -","- C26 H29 I N4 Zn -","- C52 H58 I2 N8 Zn2 -","2","1","","Elodie E. Marlier; Bridget A. Ulrich; Kristopher McNeill","Synthesis and Reactivity of an Isolable Cobalt(I) Complex Containing a β-Diketiminate-Based Acyclic Tetradentate Ligand","Inorganic Chemistry","2012","51","","2079","2085","10.1021/ic201780c","","","0.71073","MoKα","","0.0404","0.0288","","","0.0629","0.0675","","","","","","1.048","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328305","17.0515","0.0007","5.556","0.0002","10.4254","0.0005","90","","115.4","0.002","90","","892.21","0.07","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Copper(II) pyrazine dioxide dibromide dihydrate","catena-((μ~2~-pyrazine N,N'dioxide)-diaqua-dichloro-copper)","","- C4 H8 Cl2 Cu N2 O4 -","- C4 H8 Cl2 Cu N2 O4 -","- C16 H32 Cl8 Cu4 N8 O16 -","4","0.5","","John A. Schlueter; Hyunsoo Park; Gregory J. Halder; William R. Armand; Cortney Dunmars; Karena W. Chapman; Jamie L. Manson; John Singleton; Ross McDonald; Alex Plonczak; Jinhee Kang; Chaghoon Lee; Myung-Hwan Whangbo; Tom Lancaster; Andrew J. Steele; Isabel Franke; Jack D. Wright; Stephen J. Blundell; Francis L. Pratt; Josepth deGeorge; Mark M. Turnbull; Christopher P. Landee","Importance of Halogen...Halogen Contacts for the Structural and Magnetic Properties of CuX2(pyrazine-N,N'-dioxide)(H2O)2 (X = Cl and Br)","Inorganic Chemistry","2012","51","","2121","2129","10.1021/ic201924q","","x-ray","0.71073","MoKα","","0.0223","0.0221","","","0.0589","0.059","","","","","","1.058","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328306","17.3457","0.0008","5.6766","0.0003","10.6979","0.0005","90","","115.593","0.002","90","","950.01","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Copper(II) pyrazine dioxide dibromide dihydrate","catena-((μ~2~-pyrazine N,N'dioxide)-diaqua-dibromo-copper)","","- C4 H8 Br2 Cu N2 O4 -","- C4 H8 Br2 Cu N2 O4 -","- C16 H32 Br8 Cu4 N8 O16 -","4","0.5","","John A. Schlueter; Hyunsoo Park; Gregory J. Halder; William R. Armand; Cortney Dunmars; Karena W. Chapman; Jamie L. Manson; John Singleton; Ross McDonald; Alex Plonczak; Jinhee Kang; Chaghoon Lee; Myung-Hwan Whangbo; Tom Lancaster; Andrew J. Steele; Isabel Franke; Jack D. Wright; Stephen J. Blundell; Francis L. Pratt; Josepth deGeorge; Mark M. Turnbull; Christopher P. Landee","Importance of Halogen...Halogen Contacts for the Structural and Magnetic Properties of CuX2(pyrazine-N,N'-dioxide)(H2O)2 (X = Cl and Br)","Inorganic Chemistry","2012","51","","2121","2129","10.1021/ic201924q","","x-ray","0.71073","MoKα","","0.0304","0.0292","","","0.0727","0.0734","","","","","","1.062","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328307","13.5536","0.0002","19.0463","0.0002","27.7435","0.0003","90","","112.388","0.001","90","","6622.05","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 N8 Ni3 O29 V6 -","- C48 H54 N8 Ni3 O29 V6 -","- C192 H216 N32 Ni12 O116 V24 -","4","1","","Roberto Fernández de Luis; José L. Mesa; M. Karmele Urtiaga; Edurne S. Larrea; Teófilo Rojo; María I. Arriortua","Flexible and Dynamic Thermal Behavior of Self-Catenated [{Ni3(H2O)3(Bpa)4}(V6O18)].8H2O Constructed from 10-c Heterometallic Inorganic-Organic Clusters","Inorganic Chemistry","2012","51","","2130","2139","10.1021/ic201951e","","","1.5418","CuKα","","0.0731","0.0558","","","0.1359","0.1446","","","","","","0.995","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328308","15.729","0.002","25.025","0.003","9.1759","0.0012","90","","90","","90","","3611.8","0.8","291","2","291","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","1","0.25","","Min-Xia Yao; Qi Zheng; Xu-Min Cai; Yi-Zhi Li; You Song; Jing-Lin Zuo","Chiral Cyanide-Bridged CrIII-MnIII Heterobimetallic Chains Based on [(Tp)Cr(CN)3]-: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","2140","2149","10.1021/ic201982d","","","0.71073","MoKα","","0.0802","0.0585","","","0.1031","0.1071","","","","","","1.07","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328309","15.708","0.003","25.004","0.005","9.1688","0.0018","90","","90","","90","","3601.2","1.2","291","2","291","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","- C130 H126 B4 Cl4 Cr4 Mn4 N44 O9 -","1","0.25","","Min-Xia Yao; Qi Zheng; Xu-Min Cai; Yi-Zhi Li; You Song; Jing-Lin Zuo","Chiral Cyanide-Bridged CrIII-MnIII Heterobimetallic Chains Based on [(Tp)Cr(CN)3]-: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","2140","2149","10.1021/ic201982d","","","0.71073","MoKα","","0.0764","0.0601","","","0.1121","0.1156","","","","","","1.073","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328310","13.3709","0.0017","14.1169","0.0017","20.935","0.003","90","","92.279","0.002","90","","3948.5","0.9","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H32 B Cr Mn N11 O2 -","- C40 H32 B Cr Mn N11 O2 -","- C160 H128 B4 Cr4 Mn4 N44 O8 -","4","2","","Min-Xia Yao; Qi Zheng; Xu-Min Cai; Yi-Zhi Li; You Song; Jing-Lin Zuo","Chiral Cyanide-Bridged CrIII-MnIII Heterobimetallic Chains Based on [(Tp)Cr(CN)3]-: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","2140","2149","10.1021/ic201982d","","","0.71073","MoKα","","0.0787","0.0558","","","0.115","0.1215","","","","","","1.063","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328311","13.3781","0.0009","14.1119","0.0009","20.8914","0.0014","90","","92.229","0.001","90","","3941.1","0.5","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H32 B Cr Mn N11 O2 -","- C40 H32 B Cr Mn N11 O2 -","- C160 H128 B4 Cr4 Mn4 N44 O8 -","4","2","","Min-Xia Yao; Qi Zheng; Xu-Min Cai; Yi-Zhi Li; You Song; Jing-Lin Zuo","Chiral Cyanide-Bridged CrIII-MnIII Heterobimetallic Chains Based on [(Tp)Cr(CN)3]-: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","2140","2149","10.1021/ic201982d","","","0.71073","MoKα","","0.0768","0.0576","","","0.123","0.1286","","","","","","1.02","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328312","12.95","0.001","13.948","0.001","14.744","0.001","102.175","0.001","108.382","0.001","112.817","0.001","2153.9","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H90 N4 O6 P4 Y2 -","- C80 H74 N4 O6 P4 Y2 -","- C80 H74 N4 O6 P4 Y2 -","1","0.5","","Thi-Phuong-Anh Cao; Antoine Buchard; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Phosphasalen Yttrium Complexes: Highly Active and Stereoselective Initiators for Lactide Polymerization","Inorganic Chemistry","2012","51","","2157","2169","10.1021/ic202015z","","","0.71069","MoKα","","0.0664","0.0539","","","0.1368","0.1462","","","","","","1.076","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328313","10.53","0.001","14.575","0.001","16.43","0.001","65.436","0.001","87.959","0.001","89.298","0.001","2291.9","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C105 H106 N4 O6 P4 Y2 -","- C98 H98 N4 O6 P4 Y2 -","- C98 H98 N4 O6 P4 Y2 -","1","0.5","","Thi-Phuong-Anh Cao; Antoine Buchard; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Phosphasalen Yttrium Complexes: Highly Active and Stereoselective Initiators for Lactide Polymerization","Inorganic Chemistry","2012","51","","2157","2169","10.1021/ic202015z","","","0.71069","MoKα","","0.0735","0.0562","","","0.1134","0.1233","","","","","","1.066","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328314","20.514","0.001","27.064","0.001","22.12","0.001","90","","117.231","0.001","90","","10919.7","0.8","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H73 N2 O3 P2 Y -","- C58 H73 N2 O3 P2 Y -","- C464 H584 N16 O24 P16 Y8 -","8","1","","Thi-Phuong-Anh Cao; Antoine Buchard; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Phosphasalen Yttrium Complexes: Highly Active and Stereoselective Initiators for Lactide Polymerization","Inorganic Chemistry","2012","51","","2157","2169","10.1021/ic202015z","","","0.71069","MoKα","","0.0702","0.0458","","","0.0813","0.0919","","","","","","1.083","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328315","9.2072","0.0012","9.32","0.0012","9.4981","0.0012","86.174","0.001","88.281","0.001","84.732","0.001","809.56","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N2 Nd O11 -","- C14 H11 N2 Nd O11 -","- C28 H22 N4 Nd2 O22 -","2","1","","Baoming Ji; Dongsheng Deng; Xiao He; Bin Liu; Shaobin Miao; Ning Ma; Weizhou Wang; Liguo Ji; Peng Liu; Xianfei Li","Syntheses, Structures, Luminescence, and Magnetic Properties of One-dimensional Lanthanide Coordination Polymers with a Rigid 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand","Inorganic Chemistry","2012","51","","2170","2177","10.1021/ic202063h","","","0.71073","MoKα","","0.0254","0.0223","","","0.0495","0.051","","","","","","1.048","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328316","9.2247","0.0011","9.2792","0.0011","9.4629","0.0011","86.168","0.001","87.761","0.001","85.217","0.001","804.92","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Eu N2 O11 -","- C14 H11 Eu N2 O11 -","- C28 H22 Eu2 N4 O22 -","2","1","","Baoming Ji; Dongsheng Deng; Xiao He; Bin Liu; Shaobin Miao; Ning Ma; Weizhou Wang; Liguo Ji; Peng Liu; Xianfei Li","Syntheses, Structures, Luminescence, and Magnetic Properties of One-dimensional Lanthanide Coordination Polymers with a Rigid 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand","Inorganic Chemistry","2012","51","","2170","2177","10.1021/ic202063h","","","0.71073","MoKα","","0.0272","0.0258","","","0.0631","0.0642","","","","","","1.054","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328317","9.2249","0.0011","9.264","0.0011","9.4434","0.0011","86.207","0.001","87.656","0.001","85.32","0.001","802.06","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Gd N2 O11 -","- C14 H11 Gd N2 O11 -","- C28 H22 Gd2 N4 O22 -","2","1","","Baoming Ji; Dongsheng Deng; Xiao He; Bin Liu; Shaobin Miao; Ning Ma; Weizhou Wang; Liguo Ji; Peng Liu; Xianfei Li","Syntheses, Structures, Luminescence, and Magnetic Properties of One-dimensional Lanthanide Coordination Polymers with a Rigid 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand","Inorganic Chemistry","2012","51","","2170","2177","10.1021/ic202063h","","","0.71073","MoKα","","0.0172","0.0166","","","0.0424","0.0427","","","","","","1.022","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328318","9.236","0.006","9.236","0.006","9.447","0.006","87.255","0.006","86.232","0.006","85.446","0.006","800.8","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N2 O11 Tb -","- C14 H11 N2 O11 Tb -","- C28 H22 N4 O22 Tb2 -","2","1","","Baoming Ji; Dongsheng Deng; Xiao He; Bin Liu; Shaobin Miao; Ning Ma; Weizhou Wang; Liguo Ji; Peng Liu; Xianfei Li","Syntheses, Structures, Luminescence, and Magnetic Properties of One-dimensional Lanthanide Coordination Polymers with a Rigid 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand","Inorganic Chemistry","2012","51","","2170","2177","10.1021/ic202063h","","","0.71073","MoKα","","0.0174","0.0167","","","0.0428","0.0433","","","","","","1.037","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328319","9.2185","0.0011","9.2289","0.0011","9.4132","0.0011","87.167","0.001","86.227","0.001","85.664","0.001","796.02","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Dy N2 O11 -","- C14 H11 Dy N2 O11 -","- C28 H22 Dy2 N4 O22 -","2","1","","Baoming Ji; Dongsheng Deng; Xiao He; Bin Liu; Shaobin Miao; Ning Ma; Weizhou Wang; Liguo Ji; Peng Liu; Xianfei Li","Syntheses, Structures, Luminescence, and Magnetic Properties of One-dimensional Lanthanide Coordination Polymers with a Rigid 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand","Inorganic Chemistry","2012","51","","2170","2177","10.1021/ic202063h","","","0.71073","MoKα","","0.023","0.0223","","","0.0528","0.0529","","","","","","1.836","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328320","9.1986","0.0011","9.2305","0.0011","9.3993","0.0012","86.997","0.001","86.233","0.001","85.74","0.001","793.24","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Ho N2 O11 -","- C14 H11 Ho N2 O11 -","- C28 H22 Ho2 N4 O22 -","2","1","","Baoming Ji; Dongsheng Deng; Xiao He; Bin Liu; Shaobin Miao; Ning Ma; Weizhou Wang; Liguo Ji; Peng Liu; Xianfei Li","Syntheses, Structures, Luminescence, and Magnetic Properties of One-dimensional Lanthanide Coordination Polymers with a Rigid 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand","Inorganic Chemistry","2012","51","","2170","2177","10.1021/ic202063h","","","0.71073","MoKα","","0.0233","0.0224","","","0.0578","0.0583","","","","","","1.121","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328321","9.1813","0.0011","9.2376","0.0011","9.3885","0.0011","86.856","0.001","86.224","0.001","85.846","0.001","791.45","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Er N2 O11 -","- C14 H11 Er N2 O11 -","- C28 H22 Er2 N4 O22 -","2","1","","Baoming Ji; Dongsheng Deng; Xiao He; Bin Liu; Shaobin Miao; Ning Ma; Weizhou Wang; Liguo Ji; Peng Liu; Xianfei Li","Syntheses, Structures, Luminescence, and Magnetic Properties of One-dimensional Lanthanide Coordination Polymers with a Rigid 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand","Inorganic Chemistry","2012","51","","2170","2177","10.1021/ic202063h","","","0.71073","MoKα","","0.0186","0.0177","","","0.0448","0.0452","","","","","","1.02","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328322","14.656","0.0004","16.6661","0.0006","17.7302","0.0006","79.293","0.003","87.162","0.002","88.395","0.002","4249.4","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H122 Cl9 Dy5 N6 O37 -","- C42 H84 Cl9 Dy5 N6 O37 -","- C84 H168 Cl18 Dy10 N12 O74 -","2","1","","Jun-Bo Peng; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Trigonal Bipyramidal Dy5 Cluster Exhibiting Slow Magnetic Relaxation","Inorganic Chemistry","2012","51","","2186","2190","10.1021/ic202147h","","","0.71073","MoKα","","0.0684","0.0381","","","0.0625","0.0651","","","","","","1.003","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328323","15.7153","0.0011","13.9863","0.0009","12.4599","0.0007","90","","97.427","0.003","90","","2715.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl2 I2 N4 O3 Rh -","- C20 H29 Cl2 I2 N4 O3 Rh -","- C80 H116 Cl8 I8 N16 O12 Rh4 -","4","1","","Alex McSkimming; Graham E. Ball; Mohan M. Bhadbhade; Stephen B. Colbran","Rhodium Complexes of a Chelating Ligand with Imidazol-2-ylidene and Pyridin-2-ylidene Donors: The Effect of C-Metalation of Nicotinamide Groups on Uptake of Hydride Ion","Inorganic Chemistry","2012","51","","2191","2203","10.1021/ic202164v","","","0.71073","MoKα","","0.0614","0.0348","","","0.095","0.1216","","","","","","0.784","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328324","15.846","0.002","27.02","0.003","14.0385","0.0018","90","","102.645","0.003","90","","5864.9","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl8 I2 N8 O6 Rh2 -","- C42 H56 Cl7.98 I2 N8 O6 Rh2 -","- C168 H224 Cl31.92 I8 N32 O24 Rh8 -","4","1","","Alex McSkimming; Graham E. Ball; Mohan M. Bhadbhade; Stephen B. Colbran","Rhodium Complexes of a Chelating Ligand with Imidazol-2-ylidene and Pyridin-2-ylidene Donors: The Effect of C-Metalation of Nicotinamide Groups on Uptake of Hydride Ion","Inorganic Chemistry","2012","51","","2191","2203","10.1021/ic202164v","","","0.71073","MoKα","","0.165","0.0663","","","0.1405","0.1928","","","","","","0.892","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328325","15.706","0.003","13.5868","0.0017","23.595","0.004","90","","91.592","0.004","90","","5033.1","1.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H54 Cl I2 N8 O7.5 Rh2 -","- C38.5 H54 Cl I2 N8 O7.5 Rh2 -","- C154 H216 Cl4 I8 N32 O30 Rh8 -","4","1","","Alex McSkimming; Graham E. Ball; Mohan M. Bhadbhade; Stephen B. Colbran","Rhodium Complexes of a Chelating Ligand with Imidazol-2-ylidene and Pyridin-2-ylidene Donors: The Effect of C-Metalation of Nicotinamide Groups on Uptake of Hydride Ion","Inorganic Chemistry","2012","51","","2191","2203","10.1021/ic202164v","","","0.71073","MoKα","","0.2338","0.0836","","","0.1772","0.2457","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328326","15.3957","0.0016","11.599","0.001","17.6253","0.0019","90","","111.906","0.003","90","","2920.2","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 F6 I2 N4 O5 P Rh -","- C17 H30 F6 I2 N4 O5 P Rh -","- C68 H120 F24 I8 N16 O20 P4 Rh4 -","4","1","","Alex McSkimming; Graham E. Ball; Mohan M. Bhadbhade; Stephen B. Colbran","Rhodium Complexes of a Chelating Ligand with Imidazol-2-ylidene and Pyridin-2-ylidene Donors: The Effect of C-Metalation of Nicotinamide Groups on Uptake of Hydride Ion","Inorganic Chemistry","2012","51","","2191","2203","10.1021/ic202164v","","","0.71073","MoKα","","0.1557","0.0529","","","0.1189","0.1789","","","","","","0.855","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328327","10.5255","0.0011","13.6554","0.0016","19.825","0.003","102.685","0.005","96.435","0.005","110.518","0.003","2547.2","0.6","184","2","184","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H56 I2 N5 O3 Rh -","- C58 H56 I2 N5 O3 Rh -","- C116 H112 I4 N10 O6 Rh2 -","2","1","","Alex McSkimming; Graham E. Ball; Mohan M. Bhadbhade; Stephen B. Colbran","Rhodium Complexes of a Chelating Ligand with Imidazol-2-ylidene and Pyridin-2-ylidene Donors: The Effect of C-Metalation of Nicotinamide Groups on Uptake of Hydride Ion","Inorganic Chemistry","2012","51","","2191","2203","10.1021/ic202164v","","","0.71073","MoKα","","0.1565","0.0528","","","0.0963","0.1312","","","","","","0.98","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328328","14.6794","0.0003","20.4959","0.0005","21.2644","0.0004","90","","100.695","0.002","90","","6286.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iPr_LAl(OH)(mu-O)Al(OAr*)2","","","- C132 H183 Al4 N4 O8 -","- C132 H183 Al4 N4 O8 -","- C264 H366 Al8 N8 O16 -","2","0.5","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.085","0.0616","","","0.1425","0.1539","","","","","","1.042","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328329","11.8038","0.0011","8.5615","0.0009","25.11","0.002","90","","90.526","0.007","90","","2537.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LAlMe(Cl)","","","- C22 H28 Al Cl N2 -","- C22 H28 Al Cl N2 -","- C88 H112 Al4 Cl4 N8 -","4","1","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.0792","0.0575","","","0.1494","0.1617","","","","","","1.07","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328330","15.6544","0.0013","9.5305","0.0008","16.1124","0.0013","90","","102.523","0.009","90","","2346.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LH.AlMe2(Cl)","","","- C23 H32 Al Cl N2 -","- C23 H32 Al Cl N2 -","- C92 H128 Al4 Cl4 N8 -","4","1","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.1059","0.0604","","","0.1164","0.137","","","","","","1.033","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328331","11.9178","0.0005","14.1396","0.0007","14.7944","0.0006","107.547","0.004","101.014","0.003","106.139","0.004","2178.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","LAlMe2","","","- C23 H31 Al N2 -","- C23 H31 Al N2 -","- C92 H124 Al4 N8 -","4","2","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.0646","0.0492","","","0.1186","0.1254","","","","","","1.077","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328332","11.1095","0.0004","25.7694","0.0009","15.0472","0.0006","90","","104.644","0.004","90","","4167.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[LAl(Me)]2(mu-O)","","","- C44 H56 Al2 N4 O -","- C44 H56 Al2 N4 O -","- C176 H224 Al8 N16 O4 -","4","1","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.1348","0.0797","","","0.1247","0.141","","","","","","1.055","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328333","10.3704","0.0005","13.0385","0.0005","17.7046","0.0007","97.079","0.003","99.295","0.004","97.42","0.004","2317.17","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[LAlMe(OH)]2","","","- C51 H58 Al2 N4 O2 -","- C51 H58 Al2 N4 O2 -","- C102 H116 Al4 N8 O4 -","2","1","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.0705","0.0555","","","0.1343","0.1414","","","","","","1.082","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328334","21.528","0.0007","7.1419","0.0002","12.7174","0.0005","90","","90","","90","","1955.31","0.11","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","LAlH2","","","- C21 H27 Al N2 -","- C21 H27 Al N2 -","- C84 H108 Al4 N8 -","4","0.5","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.0594","0.0468","","","0.1091","0.1148","","","","","","1.079","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328335","10.946","0.002","25.065","0.002","15.918","0.004","90","","113.973","0.015","90","","3990.6","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[LAl(H)]2(mu-O)","","","- C42 H52 Al2 N4 O -","- C42 H50 Al2 N4 O -","- C168 H200 Al8 N16 O4 -","4","1","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.2278","0.1081","","","0.2012","0.251","","","","","","0.994","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328336","20.3625","0.0007","8.8516","0.0003","22.2389","0.0008","90","","104.194","0.003","90","","3886","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[LAl(OH)]2(mu-O)","","","- C42 H52 Al2 N4 O3 -","- C42 H52 Al2 N4 O3 -","- C168 H208 Al8 N16 O12 -","4","0.5","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.0625","0.0489","","","0.1108","0.1167","","","","","","1.061","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328337","17.455","0.0013","15.5586","0.0009","17.6352","0.001","90","","107.907","0.007","90","","4557.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[LAl(Cl)]2(mu-O)","","","- C49 H50 Al2 Cl2 N4 O -","- C49 H50 Al2 Cl2 N4 O -","- C196 H200 Al8 Cl8 N16 O4 -","4","0.5","","Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky","Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands","Inorganic Chemistry","2012","51","","2204","2211","10.1021/ic2021879","","","0.71073","MoKα","","0.1411","0.0817","","","0.1412","0.1642","","","","","","1.073","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328338","13.7167","0.0017","14.1504","0.0018","14.4465","0.0018","106.856","0.002","110.3","0.002","104.309","0.002","2320.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","[Mo2(DAniF)3]2(SeH)2, 2CH2Cl2","","","- C92 H96 Cl4 Mo4 N12 O12 Se2 -","- C92 H96 Cl4 Mo4 N12 O12 Se2 -","- C92 H96 Cl4 Mo4 N12 O12 Se2 -","1","0.5","","Zhong Fei Tan; Chun Y. Liu; Ziyun Li; Miao Meng; Ng Seik Weng","Abnormally Long-Range Diamagnetic Anisotropy Induced by Cyclic dδ-pππ Conjugation within a Six-Membered Dimolybdenum/Chalcogen Ring","Inorganic Chemistry","2012","51","","2212","2221","10.1021/ic2021947","","","0.71073","MoKα","","0.0604","0.0468","","","0.1251","0.149","","","","","","1.068","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328339","13.271","0.0007","13.739","0.0007","25.72","0.0014","90","","92.509","0.001","90","","4685","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Mo2(DAniF)3]2(Se)2, 2CH2Cl2","","","- C92 H94 Cl4 Mo4 N12 O12 Se2 -","- C92 H94 Cl4 Mo4 N12 O12 Se2 -","- C184 H188 Cl8 Mo8 N24 O24 Se4 -","2","1","","Zhong Fei Tan; Chun Y. Liu; Ziyun Li; Miao Meng; Ng Seik Weng","Abnormally Long-Range Diamagnetic Anisotropy Induced by Cyclic dδ-pππ Conjugation within a Six-Membered Dimolybdenum/Chalcogen Ring","Inorganic Chemistry","2012","51","","2212","2221","10.1021/ic2021947","","","0.71073","MoKα","","0.0503","0.0393","","","0.0937","0.1044","","","","","","1.06","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328340","8.6038","0.0004","11.6895","0.0006","9.4407","0.0004","90","","112.894","0.002","90","","874.7","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B2 F4 Fe N6 O4 -","- C12 H18 B2 F4 Fe N6 O4 -","- C24 H36 B4 F8 Fe2 N12 O8 -","2","0.5","","Michael J. Rose; Jay R. Winkler; Harry B. Gray","Fe4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF2)2Fe(L)2] (L = MeCN,tBuiNC)","Inorganic Chemistry","2012","51","","1980","1982","10.1021/ic202253v","","","0.71073","MoKα","","0.0354","0.0264","","","0.0476","0.0481","","","","","","1.787","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4328341","35.6736","0.0007","35.6736","0.0007","32.516","0.0009","90","","90","","120","","35836.2","1.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H54 B3 F6 Fe4 N18 O12 -","- C36 H54 B3 F6 Fe4 N18 O12 -","- C648 H972 B54 F108 Fe72 N324 O216 -","18","1","","Michael J. Rose; Jay R. Winkler; Harry B. Gray","Fe4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF2)2Fe(L)2] (L = MeCN,tBuiNC)","Inorganic Chemistry","2012","51","","1980","1982","10.1021/ic202253v","","","0.71073","MoKα","","0.1438","0.0886","","","0.1183","0.1197","","","","","","3.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4328342","9.976","0.0006","11.1614","0.0007","13.0925","0.0008","70.193","0.003","71.497","0.003","68","0.003","1241.02","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H30 B2 F4 Fe N6 O4 -","- C18 H30 B2 F4 Fe N6 O4 -","- C36 H60 B4 F8 Fe2 N12 O8 -","2","1","","Michael J. Rose; Jay R. Winkler; Harry B. Gray","Fe4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF2)2Fe(L)2] (L = MeCN,tBuiNC)","Inorganic Chemistry","2012","51","","1980","1982","10.1021/ic202253v","","","0.71073","MoKα","","0.0569","0.0398","","","0.0552","0.0559","","","","","","2.078","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4328343","15.448","0.003","8.5409","0.0017","13.949","0.003","90","","90","","90","","1840.4","0.6","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C12 H20 B2 F4 Fe N6 O4 -","- C12 H20 B2 F4 Fe N6 O4 -","- C48 H80 B8 F16 Fe4 N24 O16 -","4","0.5","","Michael J. Rose; Jay R. Winkler; Harry B. Gray","Fe4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF2)2Fe(L)2] (L = MeCN,tBuiNC)","Inorganic Chemistry","2012","51","","1980","1982","10.1021/ic202253v","","","0.7749","Synchrotron","","0.04","0.0327","","","0.0735","0.0743","","","","","","2.44","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4328344","12.4485","0.0007","12.4485","0.0007","12.4485","0.0007","90","","90","","90","","1929.08","0.19","273","2","273","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","BaAu2Zn11","","","- Au2 Ba Zn11 -","- Au2.028 Ba Zn10.972 -","- Au16.224 Ba8 Zn87.776 -","8","0.0416667","","Shalabh Gupta; John D. Corbett","BaAuxZn13-x: Electron-Poor Cubic NaZn13- Type Intermetallic and Its Ordered Tetragonal Variant","Inorganic Chemistry","2012","51","","2247","2253","10.1021/ic2022787","","","0.71073","MoKα","","0.0163","0.0138","","","0.0259","0.0265","","","","","","1.245","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328345","12.641","0.002","12.641","0.002","12.641","0.002","90","","90","","90","","2020","0.6","273","2","273","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","BaAu7Zn6","","","- Au6.88 Ba Zn6.13 -","- Au6.612 Ba Zn6.312 -","- Au52.896 Ba8 Zn50.496 -","8","0.0416667","","Shalabh Gupta; John D. Corbett","BaAuxZn13-x: Electron-Poor Cubic NaZn13- Type Intermetallic and Its Ordered Tetragonal Variant","Inorganic Chemistry","2012","51","","2247","2253","10.1021/ic2022787","","","0.71073","MoKα","","0.0221","0.0189","","","0.0389","0.0395","","","","","","1.203","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328346","8.8945","0.0004","8.8945","0.0004","12.6457","0.0012","90","","90","","90","","1000.43","0.11","293","2","293","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","BaAu6Zn7","","","- Au6 Ba Zn7 -","- Au5.932 Ba Zn7.068 -","- Au23.728 Ba4 Zn28.272 -","4","0.25","","Shalabh Gupta; John D. Corbett","BaAuxZn13-x: Electron-Poor Cubic NaZn13- Type Intermetallic and Its Ordered Tetragonal Variant","Inorganic Chemistry","2012","51","","2247","2253","10.1021/ic2022787","","","0.71073","MoKα","","0.0553","0.0315","","","0.0512","0.0571","","","","","","1.109","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328347","12.184","0.002","16.143","0.002","19.756","0.003","90.603","0.009","105.358","0.012","101.288","0.011","3666.5","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H36 F5 Ir N4 O5 S -","- C35 H36 F5 Ir N4 O5 S -","- C140 H144 F20 Ir4 N16 O20 S4 -","4","2","","Nail M. Shavaleev; Filippo Monti; Rubén D. Costa; Rosario Scopelliti; Henk J. Bolink; Enrique Ortí; Gianluca Accorsi; Nicola Armaroli; Etienne Baranoff; Michael Grätzel; Mohammad K. Nazeeruddin","Bright Blue Phosphorescence from Cationic Bis-Cyclometalated Iridium(III) Isocyanide Complexes","Inorganic Chemistry","2012","51","","2263","2271","10.1021/ic202297h","","","0.71073","MoKα","","0.0706","0.0524","","","0.1196","0.1314","","","","","","1.131","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328348","16.0671","0.0016","16.3128","0.0016","20.8626","0.0019","72.919","0.002","72.729","0.002","80.883","0.002","4976","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H44 Mo12 N4 Na2 O65 P8 Rb5 -","- C20 H44 Mo12 N4 Na2 O65 P8 Rb5 -","- C40 H88 Mo24 N8 Na4 O130 P16 Rb10 -","2","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.1391","0.0635","","","0.1643","0.182","","","","","","0.67","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4328349","21.739","0.005","21.739","0.005","26.188","0.006","90","","90","","90","","12376","5","273","2","273","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C24 H52 K Mo12 N4 Na O68 P8 -","- C24 H52 K Mo12 N4 Na O68 P8 -","- C96 H208 K4 Mo48 N16 Na4 O272 P32 -","4","0.25","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.0981","0.0571","","","0.1691","0.1798","","","","","","0.941","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4328350","28.5021","0.0013","28.5021","0.0013","10.5126","0.001","90","","90","","120","","7396","0.9","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C8 H18 Cl0.33 Mo6 N2 O42 P4 -","- C8 H18 Cl0.333333 Mo6 N2 O42.0033 P4 -","- C48 H108 Cl2 Mo36 N12 O252.02 P24 -","6","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.1418","0.0733","","","0.1748","0.2059","","","","","","1.081","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4328351","18.409","0.014","16.856","0.013","36.26","0.03","90","","90","","90","","11252","15","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Mo6 N2 O47.5 P4 Rb0.75 -","- C10 H22 Mo6 N2 O47.5 P4 Rb0.75 -","- C80 H176 Mo48 N16 O380 P32 Rb6 -","8","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.1447","0.0906","","","0.2486","0.2779","","","","","","1.089","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4328352","18.8861","0.0004","17.0627","0.0004","31.6438","0.0007","90","","90","","90","","10197.1","0.4","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H53.5 Cs1.25 K Mo6 N5.75 O39.25 P4 -","- C10 H22 Cs1.25 K Mo6 N2 O43 P4 -","- C80 H176 Cs10 K8 Mo48 N16 O344 P32 -","8","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.0803","0.0668","","","0.1567","0.1655","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328353","9.6898","0.0006","18.028","0.0012","14.3741","0.001","90","","106.81","0.001","90","","2403.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 K2 Mo6 N2 O40 P4 -","- C12 H26 K2 Mo6 N2 O40 P4 -","- C24 H52 K4 Mo12 N4 O80 P8 -","2","0.5","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.0627","0.0415","","","0.1059","0.1186","","","","","","0.785","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4328354","14.969","0.002","9.0746","0.0012","19.82","0.003","90","","107.679","0.002","90","","2565.2","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H22 Mo6 N2 O48 P4 -","- C10 H22 Mo6 N2 O48 P4 -","- C20 H44 Mo12 N4 O96 P8 -","2","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.0421","0.0391","","","0.0972","0.0988","","","","","","1.011","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4328355","6.462812","0.000015","3.864979","0.000008","16.17629","0.00004","90","","90","","90","","404.062","0.0016","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F4 La Rb -","- F4 La Rb -","- F16 La4 Rb4 -","4","0.5","","Anne-Laure Rollet; Mathieu Allix; Emmanuel Veron; Michael Deschamps; Valérie Montouillout; Matthew R. Suchomel; Emmanuelle Suard; Maud Barre; Manuel Ocaña; Aymeric Sadoc; Florent Boucher; Catherine Bessada; Dominique Massiot; Franck Fayon","Synthesis and Structure Resolution of RbLaF4","Inorganic Chemistry","2012","51","","2272","2282","10.1021/ic202301e","powder diffraction","x-ray","0.41221","","","","","","","","","0.02808","","0.4","","","","","","","has coordinates,has Fobs","179386","2020-10-21","18:00:00",""
"4328356","11.854","0.008","11.449","0.007","13.803","0.009","90","","97.978","0.009","90","","1855","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H54 N12 O2 S6 Sn2 Y2 -","- C16 H54 N12 O2 S6 Sn2 Y2 -","- C32 H108 N24 O4 S12 Sn4 Y4 -","2","0.5","","Jian Zhou; Xing Liu; Litao An; Feilong Hu; Wenbin Yan; Yunyan Zhang","Solvothermal Synthesis and Characterization of a Series of Lanthanide Thiostannates(IV): The First Examples of Inorganic-Organic Hybrid Cationic Lanthanide Thiostannates(IV)","Inorganic Chemistry","2012","51","","2283","2290","10.1021/ic2023083","","","0.71073","MoKα","","0.0569","0.0441","","","0.11","0.1133","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328357","9.886","0.002","10.371","0.002","17.442","0.004","89.78","0.03","88","0.03","85.14","0.03","1780.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H110 Eu2 N24 S12 Sn4 -","- C36 H102 Eu2 N24 S12 Sn4 -","- C36 H102 Eu2 N24 S12 Sn4 -","1","0.5","","Jian Zhou; Xing Liu; Litao An; Feilong Hu; Wenbin Yan; Yunyan Zhang","Solvothermal Synthesis and Characterization of a Series of Lanthanide Thiostannates(IV): The First Examples of Inorganic-Organic Hybrid Cationic Lanthanide Thiostannates(IV)","Inorganic Chemistry","2012","51","","2283","2290","10.1021/ic2023083","","","0.71073","MoKα","","0.1144","0.0999","","","0.2806","0.2867","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328358","9.92","0.002","10.382","0.002","17.52","0.004","89.91","0.03","88.07","0.03","85.23","0.03","1797.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H110 N24 S12 Sm2 Sn4 -","- C36 H102 N24 S12 Sm2 Sn4 -","- C36 H102 N24 S12 Sm2 Sn4 -","1","0.5","","Jian Zhou; Xing Liu; Litao An; Feilong Hu; Wenbin Yan; Yunyan Zhang","Solvothermal Synthesis and Characterization of a Series of Lanthanide Thiostannates(IV): The First Examples of Inorganic-Organic Hybrid Cationic Lanthanide Thiostannates(IV)","Inorganic Chemistry","2012","51","","2283","2290","10.1021/ic2023083","","","0.71073","MoKα","","0.0316","0.029","","","0.0857","0.0878","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328359","19.803","0.004","14.998","0.003","17.8","0.004","90","","126.57","0.03","90","","4246","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H61.5 Eu2 N12.5 O3 S6 Sn2 -","- C20 H61.5 Eu2 N12.5 O3 S6 Sn2 -","- C80 H246 Eu8 N50 O12 S24 Sn8 -","4","0.5","","Jian Zhou; Xing Liu; Litao An; Feilong Hu; Wenbin Yan; Yunyan Zhang","Solvothermal Synthesis and Characterization of a Series of Lanthanide Thiostannates(IV): The First Examples of Inorganic-Organic Hybrid Cationic Lanthanide Thiostannates(IV)","Inorganic Chemistry","2012","51","","2283","2290","10.1021/ic2023083","","","0.71073","MoKα","","0.1342","0.054","","","0.1316","0.1782","","","","","","1.048","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328360","12.2996","0.0003","12.2996","0.0003","7.9073","0.0003","90","","90","","90","","1196.22","0.06","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H9 Cu N8 O1.5 -","- C6 H8 Cu N8 O1.5 -","- C24 H32 Cu4 N32 O6 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0471","0.0406","","","0.1021","0.1045","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328361","12.355","0.003","12.355","0.003","7.9025","0.0016","90","","90","","90","","1206.3","0.5","113","2","113","2","","","","","","","","5","P 43","P 4cw","78","","","","- C6 H9 Cu N8 O1.5 -","- C6 H8 Cu N8 O1.5 -","- C24 H32 Cu4 N32 O6 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0461","0.039","","","0.0995","0.1033","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328362","12.3857","0.0003","12.3857","0.0003","7.8956","0.0003","90","","90","","90","","1211.23","0.06","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0709","0.0629","","","0.1881","0.1974","","","","","","1.106","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328363","12.3919","0.0003","12.3919","0.0003","7.9043","0.0003","90","","90","","90","","1213.78","0.06","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C6 H8 Cu I N8 O -","- C6 H8 Cu I N8 O -","- C24 H32 Cu4 I4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0828","0.0775","","","0.1988","0.2035","","","","","","1.071","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328364","7.5891","0.0009","16.9978","0.0018","7.9254","0.0013","90","","109.475","0.014","90","","963.9","0.2","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cu3 N16 O2 -","- C12 H16 Cu3 N16 O2 -","- C24 H32 Cu6 N32 O4 -","2","0.25","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0421","0.0349","","","0.0865","0.0884","","","","","","1.007","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328365","12.3879","0.0003","12.3879","0.0003","7.9323","0.0003","90","","90","","90","","1217.29","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0441","0.0401","","","0.1188","0.1205","","","","","","1.124","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328366","12.3684","0.0002","12.3684","0.0002","7.9094","0.0002","90","","90","","90","","1209.96","0.04","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0419","0.0376","","","0.1342","0.1361","","","","","","1.169","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328367","12.3965","0.0003","12.3965","0.0003","7.9197","0.0003","90","","90","","90","","1217.05","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.045","0.0395","","","0.1245","0.1262","","","","","","1.12","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328368","12.3933","0.0003","12.3933","0.0003","7.9318","0.0003","90","","90","","90","","1218.28","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0599","0.0486","","","0.1414","0.1454","","","","","","1.115","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328369","12.3494","0.0016","12.3494","0.0016","7.9086","0.001","90","","90","","90","","1206.1","0.3","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0929","0.0723","","","0.1408","0.1486","","","","","","1.137","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328370","12.414","0.004","12.414","0.004","7.944","0.003","90","","90","","90","","1224.2","0.7","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.1573","0.0993","","","0.1808","0.2069","","","","","","0.981","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328371","12.3751","0.0001","12.3751","0.0001","7.9226","0.0001","90","","90","","90","","1213.29","0.02","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0355","0.0325","","","0.117","0.118","","","","","","1.152","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328372","14.3438","0.0004","16.6471","0.0006","18.9186","0.0006","87.291","0.003","83.34","0.003","78.89","0.003","4401.4","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(Co(AEPA)2)2[{Co(AEPA)2}V15Sb6O42(H2O)]*5H2O","","","- C30 H102 Co3 N18 O48 Sb6 V15 -","- C30 H90 Co3 N18 O48 Sb6 V15 -","- C60 H180 Co6 N36 O96 Sb12 V30 -","2","1","","Elena Antonova; Christian Näther; Paul Kögerler; Wolfgang Bensch","Expansion of Antimonato Polyoxovanadates with Transition Metal Complexes: (Co(N3C5H15)2)2[{Co(N3C5H15)2}V15Sb6O42(H2O)].5H2O and (Ni(N3C5H15)2)2[{Ni(N3C5H15)2}V15Sb6O42(H2O)].8H2O","Inorganic Chemistry","2012","51","","2311","2317","10.1021/ic2023117","","","0.71073","MoKα","","0.041","0.0331","","","0.0767","0.08","","","","","","1.058","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328373","14.5697","0.0013","15.8523","0.0016","20.2411","0.0018","86.702","0.011","84.957","0.011","76.941","0.011","4533","0.8","170","2","170","2","","","","","","","","7","P -1","-P 1","2","(Ni(AEPA)2)2((Ni(AEPA)2)V15Sb6O42(H2O))","","","- C30 H90 N18 Ni3 O50 Sb6 V15 -","- C30 H90 N18 Ni3 O50 Sb6 V15 -","- C60 H180 N36 Ni6 O100 Sb12 V30 -","2","1","","Elena Antonova; Christian Näther; Paul Kögerler; Wolfgang Bensch","Expansion of Antimonato Polyoxovanadates with Transition Metal Complexes: (Co(N3C5H15)2)2[{Co(N3C5H15)2}V15Sb6O42(H2O)].5H2O and (Ni(N3C5H15)2)2[{Ni(N3C5H15)2}V15Sb6O42(H2O)].8H2O","Inorganic Chemistry","2012","51","","2311","2317","10.1021/ic2023117","","","0.71073","MoKα","","0.0491","0.0351","","","0.0839","0.0883","","","","","","0.949","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328374","19.5756","0.0018","26.105","0.002","23.47","0.002","90","","106.563","0.001","90","","11496","1.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- As2 Fe5 H96 Mo21 N17 O96 -","- As2 Fe5 Mo21 N2 O111 -","- As8 Fe20 Mo84 N8 O444 -","4","1","","Xiangqian Dong; Yanping Zhang; Bin Liu; Yanzhong Zhen; Huaiming Hu; Ganglin Xue","Double Sandwich Polyoxometalate and Its Fe(III) Substituted Derivative, [As2Fe5Mo21O82]17- and [As2Fe6Mo20O80(H2O)2]16-","Inorganic Chemistry","2012","51","","2318","2324","10.1021/ic202314g","","","0.71073","MoKα","","0.1246","0.0664","","","0.1873","0.2215","","","","","","1.139","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328375","19.521","0.002","25.924","0.003","23.421","0.002","90","","106.472","0.001","90","","11366","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- As2 Fe6 H104 Mo20 N16 O100 -","- As2 Fe6 Mo20 N2 O114 -","- As8 Fe24 Mo80 N8 O456 -","4","1","","Xiangqian Dong; Yanping Zhang; Bin Liu; Yanzhong Zhen; Huaiming Hu; Ganglin Xue","Double Sandwich Polyoxometalate and Its Fe(III) Substituted Derivative, [As2Fe5Mo21O82]17- and [As2Fe6Mo20O80(H2O)2]16-","Inorganic Chemistry","2012","51","","2318","2324","10.1021/ic202314g","","","0.71073","MoKα","","0.123","0.0667","","","0.1829","0.2193","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328376","12.2271","0.0007","16.5676","0.0012","18.7326","0.0018","95.614","0.005","97.52","0.005","108.921","0.005","3518.8","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H16 F30 N8 O3 W2 -","- C74 H16 F30 N8 O3 W2 -","- C148 H32 F60 N16 O6 W4 -","2","1","","Izana Nigel-Etinger; Israel Goldberg; Zeev Gross","5d Early-Transition-Metal Corroles: a Trioxo-Bridged Binuclear Tungsten(VI) Derivative","Inorganic Chemistry","2012","51","","1983","1985","10.1021/ic202325h","","","0.71073","MoKα","","0.0932","0.06","","","0.1371","0.1488","","","","","","1.065","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328377","16.68","0.002","15.715","0.002","17.193","0.002","90","","92.84","0.002","90","","4501.2","0.9","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 B Cl4 F4 Fe Ni O3 P2 S2 -","- C34 H58 B Cl4 F4 Fe Ni O3 P2 S2 -","- C136 H232 B4 Cl16 F16 Fe4 Ni4 O12 P8 S8 -","4","1","","David Schilter; Mark J. Nilges; Mrinmoy Chakrabarti; Paul A. Lindahl; Thomas B. Rauchfuss; Matthias Stein","Mixed-Valence Nickel-Iron Dithiolate Models of the [NiFe]-Hydrogenase Active Site","Inorganic Chemistry","2012","51","","2338","2348","10.1021/ic202329y","","","0.71073","MoKα","","0.1152","0.0527","","","0.1019","0.1228","","","","","","1.008","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328378","13.4045","0.0003","14.1949","0.0004","21.2882","0.0005","78.985","0.001","75.072","0.001","64.26","0.001","3510.93","0.15","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C61 H62 B2 Cl8 F8 Fe Ni O2 P4 S2 -","- C57 H54 B2 F8 Fe Ni O2 P4 S2 -","- C114 H108 B4 F16 Fe2 Ni2 O4 P8 S4 -","2","1","","David Schilter; Mark J. Nilges; Mrinmoy Chakrabarti; Paul A. Lindahl; Thomas B. Rauchfuss; Matthias Stein","Mixed-Valence Nickel-Iron Dithiolate Models of the [NiFe]-Hydrogenase Active Site","Inorganic Chemistry","2012","51","","2338","2348","10.1021/ic202329y","","","0.71073","MoKα","","0.0697","0.0465","","","0.1053","0.1126","","","","","","1.011","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328379","13.8692","0.0001","14.5972","0.0001","18.2653","0.0001","90","","110.845","0.0004","90","","3455.81","0.04","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H24 B12 S3 -","- C5 H24 B12 S3 -","- C40 H192 B96 S24 -","8","2","","Ewan J. M. Hamilton; Hoitung T. Leung; Roman G. Kultyshev; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Unusual Cationic Tris(Dimethylsulfide)-Substitutedcloso-Boranes: Preparation and Characterization of [1,7,9-(Me2S)3-B12H9] BF4 and [1,2,10-(Me2S)3-B10H7] BF4","Inorganic Chemistry","2012","51","","2374","2380","10.1021/ic2023709","","","0.71073","MoKα","","0.0839","0.0513","","","0.1314","0.1471","","","","","","1.048","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328380","11.3549","0.0002","13.4361","0.0002","13.7877","0.0002","84.9478","0.0006","88.4436","0.0006","88.3986","0.0008","2093.89","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H27 B13 F4 S3 -","- C6 H27 B13 F4 S3 -","- C24 H108 B52 F16 S12 -","4","2","","Ewan J. M. Hamilton; Hoitung T. Leung; Roman G. Kultyshev; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Unusual Cationic Tris(Dimethylsulfide)-Substitutedcloso-Boranes: Preparation and Characterization of [1,7,9-(Me2S)3-B12H9] BF4 and [1,2,10-(Me2S)3-B10H7] BF4","Inorganic Chemistry","2012","51","","2374","2380","10.1021/ic2023709","","","0.71073","MoKα","","0.0789","0.0502","","","0.1148","0.1286","","","","","","1.02","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328381","6.8974","0.001","14.872","0.001","19.7272","0.001","90","","91.093","0.01","90","","2023.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H25 B11 F4 S3 -","- C6 H25 B11 F4 S3 -","- C24 H100 B44 F16 S12 -","4","1","","Ewan J. M. Hamilton; Hoitung T. Leung; Roman G. Kultyshev; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Unusual Cationic Tris(Dimethylsulfide)-Substitutedcloso-Boranes: Preparation and Characterization of [1,7,9-(Me2S)3-B12H9] BF4 and [1,2,10-(Me2S)3-B10H7] BF4","Inorganic Chemistry","2012","51","","2374","2380","10.1021/ic2023709","","","0.71073","MoKα","","0.0449","0.0366","","","0.0961","0.1011","","","","","","1.031","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328382","21.859","0.004","11.5288","0.0018","21.861","0.003","90","","90","","90","","5509.1","1.5","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H28 O23 Pr2 S2 -","- C12 H6 O23 Pr2 S2 -","- C96 H48 O184 Pr16 S16 -","8","0.5","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.1044","0.0551","","","0.1154","0.1389","","","","","","1.003","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328383","7.0471","0.0004","10.9758","0.0005","12.2698","0.0006","84.289","0.001","76.77","0.001","89.52","0.001","919.16","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 La O15 S2 -","- C12 H15 La O15 S2 -","- C24 H30 La2 O30 S4 -","2","1","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.02","0.0194","","","0.05","0.0503","","","","","","1.044","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328384","7.0217","0.0001","10.9089","0.0002","12.1681","0.0002","84.209","0.001","76.636","0.001","89.811","0.001","902","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Nd O15 S2 -","- C12 H15 Nd O15 S2 -","- C24 H30 Nd2 O30 S4 -","2","1","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.0272","0.0251","","","0.0573","0.0594","","","","","","1.003","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328385","7.013","0.006","10.917","0.009","12.119","0.01","95.919","0.01","103.259","0.01","90.014","0.01","898","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 O15 S2 Sm -","- C12 H15 O15 S2 Sm -","- C24 H30 O30 S4 Sm2 -","2","1","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.0636","0.0591","","","0.1649","0.1684","","","","","","1.02","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328386","7.014","0.0018","10.872","0.003","12.083","0.003","84.193","0.003","76.515","0.003","89.976","0.003","891.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Eu O15 S2 -","- C12 H15 Eu O15 S2 -","- C24 H30 Eu2 O30 S4 -","2","1","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.0287","0.0255","","","0.0582","0.06","","","","","","1.002","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328387","7.0066","0.0001","10.8551","0.0002","12.0541","0.0002","84.216","0.001","76.469","0.001","90.034","0.001","886.54","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Gd O15 S2 -","- C12 H15 Gd O15 S2 -","- C24 H30 Gd2 O30 S4 -","2","1","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.03","0.0286","","","0.0875","0.0892","","","","","","1.033","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328388","7.0009","0.0001","10.8315","0.0001","12.0155","0.0001","95.85","0.001","103.63","0.001","90.137","0.001","880.538","0.017","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Dy O15 S2 -","- C12 H15 Dy O15 S2 -","- C24 H30 Dy2 O30 S4 -","2","1","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.0284","0.0246","","","0.0609","0.0631","","","","","","1.009","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328389","10.871","0.002","6.7535","0.0012","11.859","0.002","90","","96.18","0.002","90","","865.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Er O15 S2 -","- C12 H15 Er O15 S2 -","- C24 H30 Er2 O30 S4 -","2","0.5","","Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang","Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties","Inorganic Chemistry","2012","51","","2381","2392","10.1021/ic2023727","","","0.71073","MoKα","","0.0371","0.0318","","","0.0719","0.0752","","","","","","1.009","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328390","28.2258","0.0019","11.7652","0.0008","22.4938","0.0015","90","","106.685","0.001","90","","7155.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H168 Cl6 Fe4 N24 O40 -","- C124 H168 Cl6 Fe4 N24 O40 -","- C248 H336 Cl12 Fe8 N48 O80 -","2","0.25","","Loi H. Do; Genqiang Xue; Lawrence Que; Stephen J. Lippard","Evaluating the Identity and Diiron Core Transformations of a (μ-Oxo)diiron(III) Complex Supported by Electron-Rich Tris(pyridyl-2-methyl)amine Ligands","Inorganic Chemistry","2012","51","","2393","2402","10.1021/ic202379b","","","0.71073","MoKα","","0.0722","0.0652","","","0.1759","0.1815","","","","","","1.077","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328391","13.6256","0.0009","14.0402","0.0009","20.2928","0.0013","81.232","0.001","72.86","0.001","71.091","0.001","3502.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H84 Cl3 Fe2 N11 O21 -","- C62 H84 Cl3 Fe2 N11 O21 -","- C124 H168 Cl6 Fe4 N22 O42 -","2","1","","Loi H. Do; Genqiang Xue; Lawrence Que; Stephen J. Lippard","Evaluating the Identity and Diiron Core Transformations of a (μ-Oxo)diiron(III) Complex Supported by Electron-Rich Tris(pyridyl-2-methyl)amine Ligands","Inorganic Chemistry","2012","51","","2393","2402","10.1021/ic202379b","","","0.71073","MoKα","","0.081","0.0552","","","0.1259","0.1381","","","","","","1.016","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328392","13.6723","0.0012","22.64","0.002","24.509","0.002","99.896","0.001","98.875","0.002","102.936","0.001","7135.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H165 Cl6 Fe4 N21 O43 -","- C126 H165 Cl6 Fe4 N21 O43 -","- C252 H330 Cl12 Fe8 N42 O86 -","2","1","","Loi H. Do; Genqiang Xue; Lawrence Que; Stephen J. Lippard","Evaluating the Identity and Diiron Core Transformations of a (μ-Oxo)diiron(III) Complex Supported by Electron-Rich Tris(pyridyl-2-methyl)amine Ligands","Inorganic Chemistry","2012","51","","2393","2402","10.1021/ic202379b","","","0.71073","MoKα","","0.0967","0.0673","","","0.1747","0.1937","","","","","","1.03","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328393","28.152","0.003","42.662","0.005","40.296","0.004","90","","90","","90","","48396","9","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","U50Ox20","","","- C40 K13 O368 U50 -","- C40 K13 O368 U50 -","- C160 K52 O1472 U200 -","4","0.25","","Jie Ling; Jie Qiu; Peter C. Burns","Uranyl Peroxide Oxalate Cage and Core-Shell Clusters Containing 50 and 120 Uranyl Ions","Inorganic Chemistry","2012","51","","2403","2408","10.1021/ic202380g","","","0.71073","MoKα","","0.0735","0.0555","","","0.1936","0.2081","","","","","","1.598","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328394","40.554","0.004","40.554","0.004","40.554","0.004","90","","90","","90","","66696","11","100","2","100","2","","","","","","","","4","I m -3","-I 2 2 3","204","U120Ox90","","","- C180 K128 O998 U120 -","- C180 K128 O998 U120 -","- C360 K256 O1996 U240 -","2","0.0416667","","Jie Ling; Jie Qiu; Peter C. Burns","Uranyl Peroxide Oxalate Cage and Core-Shell Clusters Containing 50 and 120 Uranyl Ions","Inorganic Chemistry","2012","51","","2403","2408","10.1021/ic202380g","","","0.71073","MoKα","","0.0912","0.0696","","","0.2384","0.2588","","","","","","2.129","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328395","10.3778","0.0008","15.2472","0.0016","22.2675","0.0018","90","","93.784","0.008","90","","3515.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","LGe-P(2-thienyl)2","","","- C37 H47 Ge N2 P S2 -","- C37 H47 Ge N2 P S2 -","- C148 H188 Ge4 N8 P4 S8 -","4","1","","Ying Yang; Na Zhao; Yile Wu; Hongping Zhu; Herbert W. Roesky","Synthesis and Characterization of β-Diketiminate Germanium(II) Compounds","Inorganic Chemistry","2012","51","","2425","2431","10.1021/ic202388d","","","0.71073","MoKα","","0.1275","0.0732","","","0.0882","0.1005","","","","","","1.027","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328396","13.341","0.003","16.611","0.003","15.085","0.003","90","","107.07","0.03","90","","3195.7","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LGeOtBu","","","- C33 H50 Ge N2 O -","- C33 H50 Ge N2 O -","- C132 H200 Ge4 N8 O4 -","4","1","","Ying Yang; Na Zhao; Yile Wu; Hongping Zhu; Herbert W. Roesky","Synthesis and Characterization of β-Diketiminate Germanium(II) Compounds","Inorganic Chemistry","2012","51","","2425","2431","10.1021/ic202388d","","","0.71073","MoKα","","0.0451","0.0319","","","0.0771","0.0823","","","","","","1.081","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328397","22.372","0.0013","9.3145","0.0007","28.869","0.003","90","","90","","90","","6015.8","0.8","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","LGe-(2-thienyl)","","","- C33 H44 Ge N2 S -","- C33 H44 Ge N2 S -","- C264 H352 Ge8 N16 S8 -","8","","","Ying Yang; Na Zhao; Yile Wu; Hongping Zhu; Herbert W. Roesky","Synthesis and Characterization of β-Diketiminate Germanium(II) Compounds","Inorganic Chemistry","2012","51","","2425","2431","10.1021/ic202388d","","","0.71073","MoKα","","0.1205","0.0895","","","0.1778","0.1924","","","","","","1.08","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328398","17.202","0.003","12.099","0.002","18.032","0.004","90","","99.31","0.03","90","","3703.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LGePPh2","","","- C41 H51 Ge N2 P -","- C41 H51 Ge N2 P -","- C164 H204 Ge4 N8 P4 -","4","1","","Ying Yang; Na Zhao; Yile Wu; Hongping Zhu; Herbert W. Roesky","Synthesis and Characterization of β-Diketiminate Germanium(II) Compounds","Inorganic Chemistry","2012","51","","2425","2431","10.1021/ic202388d","","","0.71073","MoKα","","0.0717","0.0406","","","0.087","0.1189","","","","","","1.165","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328399","8.8941","0.0018","8.5353","0.0017","11.821","0.002","90","","104.99","0.03","90","","866.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(thienyl)2P]2","","","- C16 H12 P2 S4 -","- C16 H12 P2 S4 -","- C32 H24 P4 S8 -","2","0.5","","Ying Yang; Na Zhao; Yile Wu; Hongping Zhu; Herbert W. Roesky","Synthesis and Characterization of β-Diketiminate Germanium(II) Compounds","Inorganic Chemistry","2012","51","","2425","2431","10.1021/ic202388d","","","0.71073","MoKα","","0.1151","0.0964","","","0.2997","0.3419","","","","","","1.234","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328400","19.025","0.004","7.3399","0.0012","16.552","0.003","90","","119.304","0.003","90","","2015.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H18 Cd3 O23 -","- C30 H18 Cd3 O23 -","- C60 H36 Cd6 O46 -","2","0.5","","Lina Li; Jingxin Ma; Cheng Song; Tianliang Chen; Zhihua Sun; Shuyun Wang; Junhua Luo; Maochun Hong","A 3D Polar Nanotubular Coordination Polymer with Dynamic Structural Transformation and Ferroelectric and Nonlinear-Optical Properties","Inorganic Chemistry","2012","51","","2438","2442","10.1021/ic202406f","","","0.71073","MoKα","","0.0321","0.0317","","","0.114","0.1156","","","","","","1.029","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328401","18.2309","0.0019","18.4937","0.0012","21.379","0.002","72.034","0.002","83.197","0.002","67.743","0.003","6345.7","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H108 B8 F56 N36 Pd8 -","- C180 H108 B8 F56 N36 Pd8 -","- C180 H108 B8 F56 N36 Pd8 -","1","0.5","","Lin Qin; Liao-Yuan Yao; Shu-Yan Yu","Self-Assembly of [M8L4] and [M4L2] Fluorescent Metallomacrocycles with Carbazole-Based Dipyrazole Ligands","Inorganic Chemistry","2012","51","","2443","2453","10.1021/ic202407b","","","0.71073","MoKα","","0.0794","0.0547","","","0.1142","0.1177","","","","","","1.018","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328402","21.622","0.002","30.812","0.003","22.008","0.002","90","","90","","90","","14662","2","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H74 B4 F16 N18 Pd4 -","- C94 H74 B4 F16 N18 Pd4 -","- C376 H296 B16 F64 N72 Pd16 -","4","0.5","","Lin Qin; Liao-Yuan Yao; Shu-Yan Yu","Self-Assembly of [M8L4] and [M4L2] Fluorescent Metallomacrocycles with Carbazole-Based Dipyrazole Ligands","Inorganic Chemistry","2012","51","","2443","2453","10.1021/ic202407b","","","0.71073","MoKα","","0.0756","0.0535","","","0.1268","0.1325","","","","","","1.068","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328403","8.716","0.004","18.718","0.008","5.693","0.002","90","","90","","90","","928.8","0.7","293","2","293","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Nb3.48 Sc2 Sn5 -","- Nb3.48 Sc2 Sn5 -","- Nb13.92 Sc8 Sn20 -","4","0.25","","Cheng-Yang Yue; Xiao-Wu Lei","Syntheses and Structures of Sc2Nb4-xSn5, YNb6Sn6, and ErNb6Sn5: Exploratory Studies in Ternary Rare-Earth Niobium Stannides","Inorganic Chemistry","2012","51","","2461","2471","10.1021/ic202414h","","","0.71073","MoKα","","0.0155","0.0146","","","0.032","0.0323","","","","","","1.156","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328404","8.672","0.003","18.719","0.006","5.6645","0.0016","90","","90","","90","","919.5","0.5","293","2","293","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Nb3.63 Sc2 Sn5 -","- Nb3.6358 Sc2 Sn5 -","- Nb14.5432 Sc8 Sn20 -","4","0.25","","Cheng-Yang Yue; Xiao-Wu Lei","Syntheses and Structures of Sc2Nb4-xSn5, YNb6Sn6, and ErNb6Sn5: Exploratory Studies in Ternary Rare-Earth Niobium Stannides","Inorganic Chemistry","2012","51","","2461","2471","10.1021/ic202414h","","","0.71073","MoKα","","0.0105","0.0094","","","0.018","0.0187","","","","","","1.171","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328405","5.7498","0.0006","5.7498","0.0006","9.5003","0.0015","90","","90","","120","","272","0.06","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Nb6 Sn6 Y -","- Nb6 Sn6 Y -","- Nb6 Sn6 Y -","1","0.0416667","","Cheng-Yang Yue; Xiao-Wu Lei","Syntheses and Structures of Sc2Nb4-xSn5, YNb6Sn6, and ErNb6Sn5: Exploratory Studies in Ternary Rare-Earth Niobium Stannides","Inorganic Chemistry","2012","51","","2461","2471","10.1021/ic202414h","","","0.71073","MoKα","","0.0176","0.0156","","","0.0333","0.0341","","","","","","1.013","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328406","5.773","0.0017","5.773","0.0017","51.05","0.02","90","","90","","120","","1473.4","0.8","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Er Nb6 Sn5 -","- Er Nb6 Sn5 -","- Er6 Nb36 Sn30 -","6","0.166667","","Cheng-Yang Yue; Xiao-Wu Lei","Syntheses and Structures of Sc2Nb4-xSn5, YNb6Sn6, and ErNb6Sn5: Exploratory Studies in Ternary Rare-Earth Niobium Stannides","Inorganic Chemistry","2012","51","","2461","2471","10.1021/ic202414h","","","0.71073","MoKα","","0.0249","0.0228","","","0.0527","0.0536","","","","","","1.259","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328407","7.0757","0.0004","12.3468","0.0006","4.6819","0.0002","90","","120.93","0.001","90","","350.86","0.03","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H O3 P Sn -","- H O3 P Sn -","- H4 O12 P4 Sn4 -","4","1","","Hui-Lin Huang; Yei-Chen Lai; Yun-Wei Chiang; Sue-Lein Wang","Intrinsic Optical Properties and Divergent Doping Effects of Manganese(II) on Luminescence for Tin(II) Phosphite Grown from a Deep-Eutectic Solvent","Inorganic Chemistry","2012","51","","1986","1988","10.1021/ic202419q","","","0.71073","MoKα","","0.0203","0.0202","","","0.0564","0.0565","","","","","","1.127","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328408","7.0555","0.0007","12.242","0.0011","4.6683","0.0004","90","","121.487","0.002","90","","343.85","0.06","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H Mn0.03 O3 P Sn0.97 -","- H Mn0.031 O3 P Sn0.969 -","- H4 Mn0.124 O12 P4 Sn3.876 -","4","1","","Hui-Lin Huang; Yei-Chen Lai; Yun-Wei Chiang; Sue-Lein Wang","Intrinsic Optical Properties and Divergent Doping Effects of Manganese(II) on Luminescence for Tin(II) Phosphite Grown from a Deep-Eutectic Solvent","Inorganic Chemistry","2012","51","","1986","1988","10.1021/ic202419q","","","0.71073","MoKα","","0.0102","0.0102","","","0.0264","0.0264","","","","","","1.117","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328409","16.2302","0.0011","12.2005","0.0008","21.0379","0.0015","90","","106.54","0.002","90","","3993.5","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 Al N -","- C17 H36 Al N -","- C136 H288 Al8 N8 -","8","2","","Nicholas B. Kingsley; Kristin Kirschbaum; Joseph A. Teprovich; Robert A. Flowers; Mark R. Mason","Synthesis and Calorimetric, Spectroscopic, and Structural Characterization of Isocyanide Complexes of Trialkylaluminum and Tri-tert-butylgallium","Inorganic Chemistry","2012","51","","2494","2502","10.1021/ic202427z","","","0.71073","MoKα","","0.0717","0.0404","","","0.1044","0.122","","","","","","1.028","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328410","7.374","0.0008","10.6098","0.0011","17.2788","0.0019","92.014","0.004","94.854","0.004","91.319","0.004","1345.7","0.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 Al N -","- C12 H18 Al N -","- C48 H72 Al4 N4 -","4","2","","Nicholas B. Kingsley; Kristin Kirschbaum; Joseph A. Teprovich; Robert A. Flowers; Mark R. Mason","Synthesis and Calorimetric, Spectroscopic, and Structural Characterization of Isocyanide Complexes of Trialkylaluminum and Tri-tert-butylgallium","Inorganic Chemistry","2012","51","","2494","2502","10.1021/ic202427z","","","0.71073","MoKα","","0.0556","0.0478","","","0.1133","0.1198","","","","","","1.154","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328411","8.8875","0.0002","11.8471","0.0002","11.9501","0.0002","64.069","0.001","87.109","0.001","72.33","0.001","1073.19","0.04","140","","140","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H36 Al N -","- C21 H36 Al N -","- C42 H72 Al2 N2 -","2","1","","Nicholas B. Kingsley; Kristin Kirschbaum; Joseph A. Teprovich; Robert A. Flowers; Mark R. Mason","Synthesis and Calorimetric, Spectroscopic, and Structural Characterization of Isocyanide Complexes of Trialkylaluminum and Tri-tert-butylgallium","Inorganic Chemistry","2012","51","","2494","2502","10.1021/ic202427z","","","0.71073","MoKα","","0.0649","0.0496","","","0.1116","0.1168","","","","","","1.054","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328412","16.2533","0.0004","12.232","0.0003","21.1259","0.0005","90","","106.481","0.001","90","","4027.48","0.17","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 Ga N -","- C17 H36 Ga N -","- C136 H288 Ga8 N8 -","8","2","","Nicholas B. Kingsley; Kristin Kirschbaum; Joseph A. Teprovich; Robert A. Flowers; Mark R. Mason","Synthesis and Calorimetric, Spectroscopic, and Structural Characterization of Isocyanide Complexes of Trialkylaluminum and Tri-tert-butylgallium","Inorganic Chemistry","2012","51","","2494","2502","10.1021/ic202427z","","","0.71073","MoKα","","0.0574","0.0375","","","0.0743","0.0812","","","","","","1.077","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328413","8.9135","0.0002","11.8766","0.0002","11.9732","0.0003","64.192","0.001","87.174","0.001","72.371","0.001","1082.45","0.04","140","","140","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H36 Ga N -","- C21 H36 Ga N -","- C42 H72 Ga2 N2 -","2","1","","Nicholas B. Kingsley; Kristin Kirschbaum; Joseph A. Teprovich; Robert A. Flowers; Mark R. Mason","Synthesis and Calorimetric, Spectroscopic, and Structural Characterization of Isocyanide Complexes of Trialkylaluminum and Tri-tert-butylgallium","Inorganic Chemistry","2012","51","","2494","2502","10.1021/ic202427z","","","0.71073","MoKα","","0.0245","0.0231","","","0.0595","0.0602","","","","","","1.103","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328414","18.8423","0.0019","18.8423","0.0019","21.921","0.003","90","","90","","90","","7782.7","1.5","200","2","200","2","","","","","","","","4","P 4","P 4","75","","","","- C32 H6 Cu2 O11 -","- C32 H6 Cu2 O11 -","- C128 H24 Cu8 O44 -","4","1","","David J. Mihalcik; Teng Zhang; Liqing Ma; Wenbin Lin","Highly Porous 4,8-Connected Metal-Organic Frameworks: Synthesis, Characterization, and Hydrogen Uptake","Inorganic Chemistry","2012","51","","2503","2508","10.1021/ic2024296","","","1.54178","CuKα","","0.1046","0.0635","","","0.1265","0.1402","","","","","","0.883","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328415","24.495","0.008","27.929","0.01","22.13","0.011","90","","90","","90","","15140","11","200","2","200","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C30 H6 Cu2 O11 -","- C30 H6 Cu2 O11 -","- C240 H48 Cu16 O88 -","8","1","","David J. Mihalcik; Teng Zhang; Liqing Ma; Wenbin Lin","Highly Porous 4,8-Connected Metal-Organic Frameworks: Synthesis, Characterization, and Hydrogen Uptake","Inorganic Chemistry","2012","51","","2503","2508","10.1021/ic2024296","","","1.54178","CuKα","","0.101","0.0856","","","0.1804","0.1841","","","","","","0.849","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328416","19.0289","0.0001","19.0289","0.0001","21.9107","0.0003","90","","90","","90","","7933.84","0.12","296","2","296","2","","","","","","","","4","P 4","P 4","75","","","","- C77 H12 Cu4 O22 -","- C77 H12 Cu4 O22 -","- C154 H24 Cu8 O44 -","2","0.5","","David J. Mihalcik; Teng Zhang; Liqing Ma; Wenbin Lin","Highly Porous 4,8-Connected Metal-Organic Frameworks: Synthesis, Characterization, and Hydrogen Uptake","Inorganic Chemistry","2012","51","","2503","2508","10.1021/ic2024296","","","1.54178","CuKα","","0.0688","0.0495","","","0.1026","0.1108","","","","","","0.808","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328417","9.5249","0.0003","13.4108","0.0005","20.503","0.0007","90","","96.225","0.002","90","","2603.54","0.16","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 F6 N6 O5 P Yb -","- C22 H30 F6 N6 O5 P Yb -","- C88 H120 F24 N24 O20 P4 Yb4 -","4","1","","Aurora Rodríguez-Rodríguez; David Esteban-Gómez; Andrés de Blas; Teresa Rodríguez-Blas; Marianna Fekete; Mauro Botta; Raphaël Tripier; Carlos Platas-Iglesias","Lanthanide(III) Complexes with Ligands Derived from a Cyclen Framework Containing Pyridinecarboxylate Pendants. The Effect of Steric Hindrance on the Hydration Number","Inorganic Chemistry","2012","51","","2509","2521","10.1021/ic202436j","","x-ray","0.71073","MoKα","","0.0355","0.0324","","","0.08","0.0822","","","","","","1.249","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328418","17.7791","0.0005","9.7695","0.0003","19.4755","0.0006","90","","110.341","0.002","90","","3171.81","0.17","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H37 Cl N O P Pd -","- C36 H37 Cl N O P Pd -","- C144 H148 Cl4 N4 O4 P4 Pd4 -","4","2","","Yinhua Huang; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung","Palladacycle-Catalyzed Asymmetric Hydrophosphination of Enones for Synthesis of C*- and P*-Chiral Tertiary Phosphines","Inorganic Chemistry","2012","51","","2533","2540","10.1021/ic202472f","","","0.71073","MoKα","","0.0514","0.0388","","","0.0888","0.1013","","","","","","1.058","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328419","9.9461","0.0008","40.599","0.002","12.251","0.001","90","","111.9","0.009","90","","4590","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C192 H276 N12 O24 -","12","3","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Jean Bernard Tommasino; Nans Roques; Dominique Luneau","Versatile Chemical Transformations of Benzoxazole Based Ligands on Complexation with 3d-Metal Ions","Inorganic Chemistry","2012","51","","2588","2596","10.1021/ic202493z","","","1.5418","CuKα","","0.0511","0.0468","","0.1381","0.1351","0.1381","","","","","","0.9558","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328420","10.1542","0.0006","11.812","0.008","27.947","0.002","90","","96.97","0.005","90","","3327","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Cl2 Cu N2 O4 -","- C32 H46 Cl2 Cu N2 O4 -","- C128 H184 Cl8 Cu4 N8 O16 -","4","1","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Jean Bernard Tommasino; Nans Roques; Dominique Luneau","Versatile Chemical Transformations of Benzoxazole Based Ligands on Complexation with 3d-Metal Ions","Inorganic Chemistry","2012","51","","2588","2596","10.1021/ic202493z","","","0.7107","MoKα","","0.0627","0.0517","","0.1226","0.1038","0.1226","","","","","","0.9913","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328421","13.2714","0.0009","14.8637","0.0006","17.3337","0.0009","90","","104.71","0.006","90","","3307.2","0.3","293","","293","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62 H82 N4 Ni O6 -","- C62 H82 N4 Ni O6 -","- C124 H164 N8 Ni2 O12 -","2","0.5","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Jean Bernard Tommasino; Nans Roques; Dominique Luneau","Versatile Chemical Transformations of Benzoxazole Based Ligands on Complexation with 3d-Metal Ions","Inorganic Chemistry","2012","51","","2588","2596","10.1021/ic202493z","","","0.7107","MoKα","","0.1788","0.0885","","0.1833","0.1352","0.1833","","","","","","0.9654","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328422","10.4757","0.0009","10.87","0.001","27.854","0.002","83.04","0.006","80.938","0.006","67.407","0.008","2885.4","0.5","110","","110","","","","","","","","","5","P 1","P 1","1","","","","- C62 H82 Co N4 O6 -","- C62 H82 Co N4 O6 -","- C124 H164 Co2 N8 O12 -","2","2","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Jean Bernard Tommasino; Nans Roques; Dominique Luneau","Versatile Chemical Transformations of Benzoxazole Based Ligands on Complexation with 3d-Metal Ions","Inorganic Chemistry","2012","51","","2588","2596","10.1021/ic202493z","","","0.7107","MoKα","","0.1081","0.0913","","0.2336","0.2189","0.2336","","","","","","0.9928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328423","18.756","0.002","35.459","0.004","19.164","0.002","90","","90.642","0.008","90","","12745","2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H164 Cl4 Mn4 N8 O16 -","- C124 H164 Cl4 Mn4 N8 O16 -","- C496 H656 Cl16 Mn16 N32 O64 -","4","0.5","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Jean Bernard Tommasino; Nans Roques; Dominique Luneau","Versatile Chemical Transformations of Benzoxazole Based Ligands on Complexation with 3d-Metal Ions","Inorganic Chemistry","2012","51","","2588","2596","10.1021/ic202493z","","","0.7107","MoKα","","0.1475","0.0793","","0.2509","0.1651","0.2509","","","","","","0.9021","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328424","11.7533","0.0003","14.3899","0.0004","23.785","0.0006","104.017","0.002","93.241","0.002","94.865","0.002","3876.51","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H105 Ge N6 O9 Ru3 Si8 Sn2 -","- C52 H105 Ge N6 O9 Ru3 Si8 Sn2 -","- C104 H210 Ge2 N12 O18 Ru6 Si16 Sn4 -","2","1","","Javier A. Cabeza; Pablo García-Álvarez; Diego Polo","Synthesis of Mixed Tin-Ruthenium and Tin-Germanium-Ruthenium Carbonyl Clusters from [Ru3(CO)12] and Diaminometalenes (M = Sn, Ge)","Inorganic Chemistry","2012","51","","2569","2576","10.1021/ic202532u","","","1.5418","CuKα","","0.0475","0.0397","","","0.0962","0.101","","","","","","1.005","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328425","14.924","0.0002","14.924","0.0002","20.755","0.0004","90","","90","","120","","4003.35","0.11","297","2","297","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C45 H108 N6 O9 Ru3 Si12 Sn3 -","- C45 H108 N6 O9 Ru3 Si12 Sn3 -","- C90 H216 N12 O18 Ru6 Si24 Sn6 -","2","0.166667","","Javier A. Cabeza; Pablo García-Álvarez; Diego Polo","Synthesis of Mixed Tin-Ruthenium and Tin-Germanium-Ruthenium Carbonyl Clusters from [Ru3(CO)12] and Diaminometalenes (M = Sn, Ge)","Inorganic Chemistry","2012","51","","2569","2576","10.1021/ic202532u","","","1.5418","CuKα","","0.0493","0.0458","","","0.1279","0.1319","","","","","","1.084","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328426","15.451","0.0002","22.2487","0.0002","19.937","0.0002","90","","111.842","0.001","90","","6361.64","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H80 N4 O10 Ru3 Si8 Sn2 -","- C41 H80 N4 O10 Ru3 Si8 Sn2 -","- C164 H320 N16 O40 Ru12 Si32 Sn8 -","4","1","","Javier A. Cabeza; Pablo García-Álvarez; Diego Polo","Synthesis of Mixed Tin-Ruthenium and Tin-Germanium-Ruthenium Carbonyl Clusters from [Ru3(CO)12] and Diaminometalenes (M = Sn, Ge)","Inorganic Chemistry","2012","51","","2569","2576","10.1021/ic202532u","","","1.5418","CuKα","","0.0586","0.0539","","","0.1407","0.1472","","","","","","1.043","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328427","16.4268","0.001","4.4721","0.0003","11.9613","0.0007","90","","126.205","0.001","90","","709.03","0.08","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","europium silver zinc arsenide (2/2/1/3)","europium silver zinc arsenide (2/2/1/3)","","- Ag2.03 As3.08 Eu2 Zn0.98 -","- Ag2.033 As3.083 Eu2 Zn0.98 -","- Ag8.132 As12.332 Eu8 Zn3.92 -","4","0.5","","Stanislav S. Stoyko; Mansura Khatun; Arthur Mar","Ternary Arsenides A2Zn2As3 (A = Sr, Eu) and Their Stuffed Derivatives A2Ag2ZnAs3","Inorganic Chemistry","2012","51","","2621","2628","10.1021/ic202580m","","","0.71073","MoKα","","0.0321","0.0309","","","0.0719","0.0725","","","","","","1.101","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328428","16.212","0.005","4.2754","0.0012","11.955","0.003","90","","126.271","0.003","90","","668.1","0.3","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","strontium zinc arsenide (2/2/3)","strontium zinc arsenide (2/2/3)","","- As3 Sr2 Zn2 -","- As3 Sr2 Zn2 -","- As12 Sr8 Zn8 -","4","0.5","","Stanislav S. Stoyko; Mansura Khatun; Arthur Mar","Ternary Arsenides A2Zn2As3 (A = Sr, Eu) and Their Stuffed Derivatives A2Ag2ZnAs3","Inorganic Chemistry","2012","51","","2621","2628","10.1021/ic202580m","","","0.71073","MoKα","","0.03","0.0216","","","0.0428","0.0456","","","","","","1.039","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328429","16.032","0.004","4.255","0.0012","11.871","0.003","90","","126.525","0.003","90","","650.7","0.3","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","europium zinc arsenide (2/2/3)","europium zinc arsenide (2/2/3)","","- As3 Eu2 Zn2 -","- As3 Eu2 Zn2 -","- As12 Eu8 Zn8 -","4","0.5","","Stanislav S. Stoyko; Mansura Khatun; Arthur Mar","Ternary Arsenides A2Zn2As3 (A = Sr, Eu) and Their Stuffed Derivatives A2Ag2ZnAs3","Inorganic Chemistry","2012","51","","2621","2628","10.1021/ic202580m","","","0.71073","MoKα","","0.0246","0.0191","","","0.0353","0.0369","","","","","","1.005","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328430","16.7593","0.0018","4.4689","0.0005","12.2015","0.0013","90","","127.058","0.001","90","","729.27","0.14","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","strontium silver zinc arsenide (2/2/1/3)","strontium silver zinc arsenide (2/2/1/3)","","- Ag2 As3 Sr2 Zn -","- Ag1.988 As3 Sr2 Zn1.005 -","- Ag7.952 As12 Sr8 Zn4.02 -","4","0.5","","Stanislav S. Stoyko; Mansura Khatun; Arthur Mar","Ternary Arsenides A2Zn2As3 (A = Sr, Eu) and Their Stuffed Derivatives A2Ag2ZnAs3","Inorganic Chemistry","2012","51","","2621","2628","10.1021/ic202580m","","","0.71073","MoKα","","0.0283","0.0269","","","0.0584","0.059","","","","","","1.101","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328431","7.0784","0.0007","11.7918","0.0011","24.599","0.002","90","","90","","90","","2053.2","0.3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","cesium 3,3'-commo-(10-iodo-1,2-dicarba-3-cobalta-closo-dodecaborane) -(10'-iodo-1',2'-dicarba-3'-cobalta-closo-dodecaborane)","","- C4 H20 B18 Co Cs I2 -","- C4 H20 B18 Co Cs I2 -","- C16 H80 B72 Co4 Cs4 I8 -","4","0.5","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","0.71073","MoKα","","0.0528","0.0352","","","0.0962","0.103","","","","","","1.077","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328432","11.4134","0.0009","6.9936","0.0005","13.4916","0.001","90","","109.326","0.001","90","","1016.23","0.13","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Iododecaborane","","- B10 H13 I -","- B10 H13 I -","- B40 H52 I4 -","4","1","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","0.71073","Mo-Kα","","0.0333","0.0291","","","0.0752","0.0773","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328433","13.0692","0.0003","7.0568","0.0002","22.1755","0.0006","90","","90","","90","","2045.17","0.09","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","8-iodo-ortho-carborane","","- C2 H11 B10 I -","- C2 H11 B10 I -","- C16 H88 B80 I8 -","8","2","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","1.54178","CuKα","","0.0409","0.0382","","","0.0943","0.0969","","","","","","1.031","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328434","6.5718","0.0005","10.545","0.0008","11.1081","0.0008","67.186","0.001","88.539","0.001","80.278","0.001","698.7","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-ethoxycarbonyl-8-iodo-1,2-dicarba-closo-dodecaborane(10)","","- C5 H15 B10 I O2 -","- C5 H15 B10 I O2 -","- C10 H30 B20 I2 O4 -","2","1","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","0.71073","MoKα","","0.024","0.021","","","0.0517","0.053","","","","","","1.066","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328435","11.413","0.005","11.974","0.005","16.802","0.007","90","","90","","90","","2296.1","1.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cesium 1-iodo-nido-7,8-dicarboranedecaborate","","- C2 H11 B9 Cs I -","- C2 H11 B9 Cs I -","- C16 H88 B72 Cs8 I8 -","8","1","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","0.71073","MoKα","","0.0271","0.0256","","","0.0707","0.0719","","","","","","1.137","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328436","7.528","0.0003","7.528","0.0003","21.1968","0.0015","90","","90","","90","","1201.24","0.11","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","3,10-diiodo-1,2-dicarba-closo-dodecaborane(10)","","- C2 H10 B10 I2 -","- C2 H10 B10 I2 -","- C8 H40 B40 I8 -","4","1","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","0.71073","Mo-Kα","","0.0217","0.0206","","","0.0506","0.0516","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328437","17.587","0.003","13.356","0.003","23.862","0.005","90","","103.347","0.003","90","","5453.6","1.9","173","","173","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 S2 -","- C36 H26 S2 -","- C288 H208 S16 -","8","2","","Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi","Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands","Inorganic Chemistry","2012","51","","2645","2651","10.1021/ic2025928","","","0.7107","MoKα","","","0.0626","","","","0.1702","","","","","","1.106","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328438","9.3519","0.0014","12.756","0.002","14.818","0.002","82.532","0.006","78.884","0.005","81.637","0.005","1706.6","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H92 Fe4 N4 S4 Si8 -","- C48 H92 Fe4 N4 S4 Si8 -","- C48 H92 Fe4 N4 S4 Si8 -","1","0.5","","Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi","Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands","Inorganic Chemistry","2012","51","","2645","2651","10.1021/ic2025928","","","0.7107","MoKα","","","0.0325","","","","0.0873","","","","","","1.041","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328439","14.621","0.002","15.555","0.003","23.629","0.004","82.513","0.005","87.754","0.007","77.228","0.005","5196","1.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H69 Fe3 N3 O S3 Si6 -","- C36 H69 Fe3 N3 O S3 Si6 -","- C144 H276 Fe12 N12 O4 S12 Si24 -","4","2","","Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi","Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands","Inorganic Chemistry","2012","51","","2645","2651","10.1021/ic2025928","","","0.7107","MoKα","","","0.0643","","","","0.1975","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328440","15.234","0.003","19.699","0.003","22.889","0.004","73.301","0.006","80.481","0.007","89.422","0.007","6484","2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H102 Fe3 N3 O S3 Si6 -","- C48 H48 Fe3 N3 O S3 Si6 -","- C192 H192 Fe12 N12 O4 S12 Si24 -","4","2","","Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi","Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands","Inorganic Chemistry","2012","51","","2645","2651","10.1021/ic2025928","","","0.7107","MoKα","","","0.0792","","","","0.2348","","","","","","1.044","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328441","12.6761","0.0012","13.1696","0.0008","13.2939","0.001","65.161","0.004","81.878","0.004","84.077","0.005","1991.4","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H112 Fe4 N4 O2 S2 Si8 -","- C66 H112 Fe4 N4 O2 S2 Si8 -","- C66 H112 Fe4 N4 O2 S2 Si8 -","1","0.5","","Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi","Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands","Inorganic Chemistry","2012","51","","2645","2651","10.1021/ic2025928","","","0.7107","MoKα","","","0.0289","","","","0.086","","","","","","1.058","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328442","34.823","0.008","10.771","0.002","19.696","0.005","90","","122.306","0.003","90","","6244","2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H98 Fe2 N2 O3 S2 Si4 -","- C50 H98 Fe2 N2 O3 S2 Si4 -","- C200 H392 Fe8 N8 O12 S8 Si16 -","4","0.5","","Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi","Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands","Inorganic Chemistry","2012","51","","2645","2651","10.1021/ic2025928","","","0.7107","MoKα","","","0.0626","","","","0.1868","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328443","5.3667","0.0008","17.057","0.003","15.106","0.002","90","","98.553","0.006","90","","1367.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F6 N6 O6 S2 -","- C26 H18 F6 N6 O6 S2 -","- C52 H36 F12 N12 O12 S4 -","2","0.5","","Nabanita Kundu; Sk Md Towsif Abtab; Sanchita Kundu; Akira Endo; Simon J. Teat; Muktimoy Chaudhury","Triple-Stranded Helicates of Zinc(II) and Cadmium(II) Involving a New Redox-Active Multiring Nitrogenous Heterocyclic Ligand: Synthesis, Structure, and Electrochemical and Photophysical Properties","Inorganic Chemistry","2012","51","","2652","2661","10.1021/ic202595p","","","0.71073","MoKα","","0.2158","0.0909","","","0.2087","0.2752","","","","","","1.314","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328444","23.725","0.004","13.5241","0.0019","23.99","0.004","90","","109.466","0.003","90","","7257","2","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H52.5 Cl4 N18 O18.25 Zn2 -","- C72 H52 Cl4 N18 O18.25 Zn2 -","- C288 H208 Cl16 N72 O73 Zn8 -","4","0.5","","Nabanita Kundu; Sk Md Towsif Abtab; Sanchita Kundu; Akira Endo; Simon J. Teat; Muktimoy Chaudhury","Triple-Stranded Helicates of Zinc(II) and Cadmium(II) Involving a New Redox-Active Multiring Nitrogenous Heterocyclic Ligand: Synthesis, Structure, and Electrochemical and Photophysical Properties","Inorganic Chemistry","2012","51","","2652","2661","10.1021/ic202595p","","","0.7749","synchrotron","","0.0714","0.0524","","","0.135","0.1471","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328445","10.965","0.0015","15.101","0.002","22.596","0.003","91.733","0.002","96.585","0.003","106.162","0.002","3562.3","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H51 Cd2 Cl4 N18 O17.5 -","- C72 H48 Cd2 Cl4 N18 O17.5 -","- C144 H96 Cd4 Cl8 N36 O35 -","2","1","","Nabanita Kundu; Sk Md Towsif Abtab; Sanchita Kundu; Akira Endo; Simon J. Teat; Muktimoy Chaudhury","Triple-Stranded Helicates of Zinc(II) and Cadmium(II) Involving a New Redox-Active Multiring Nitrogenous Heterocyclic Ligand: Synthesis, Structure, and Electrochemical and Photophysical Properties","Inorganic Chemistry","2012","51","","2652","2661","10.1021/ic202595p","","","0.7749","synchrotron","","0.1017","0.0729","","","0.1859","0.2011","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328446","5.0157","0.0001","8.0371","0.0002","14.1498","0.0004","90","","98.373","0.003","90","","564.32","0.02","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Ag N2 O4 -","- C12 H8 Ag N2 O4 -","- C24 H16 Ag2 N4 O8 -","2","0.5","","Jamie L. Manson; Toby J. Woods; Saul H. Lapidus; Peter W. Stephens; Heather I. Southerland; Vivien S. Zapf; John Singleton; Paul A. Goddard; Tom Lancaster; Andrew J. Steele; Stephen J. Blundell","Ag(nic)2 (nic = Nicotinate): A Spin-Canted Quasi-2D Antiferromagnet Composed of Square-Planar S=1/2 AgII Ions","Inorganic Chemistry","2012","51","","1989","1991","10.1021/ic202600n","powder diffraction","","0.699301","synchrotron","","","","","","","","","","1.962","","","","","","","has coordinates,has Fobs","179387","2020-10-21","18:00:00",""
"4328447","5.558","0.002","15.215","0.006","7.307","0.003","90","","90","","90","","617.9","0.4","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Mg O7 Te2 -","- Ba Mg O7 Te2 -","- Ba4 Mg4 O28 Te8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure-Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)","Inorganic Chemistry","2012","51","","2662","2668","10.1021/ic202602q","","","0.71073","MoKα","","0.0183","0.0183","","","0.0483","0.0483","","","","","","1.195","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328448","5.5498","0.0004","15.3161","0.0011","7.3098","0.0005","90","","90","","90","","621.34","0.08","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba O7 Te2 Zn -","- Ba O7 Te2 Zn -","- Ba4 O28 Te8 Zn4 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure-Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)","Inorganic Chemistry","2012","51","","2662","2668","10.1021/ic202602q","","","0.71073","MoKα","","0.0165","0.0163","","","0.0457","0.0459","","","","","","1.161","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328449","13.023","0.0004","13.924","0.0005","20.665","0.0006","90","","126.676","0.002","90","","3005.38","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Br Cl3 F5 P S2 -","- C30 H16 Br Cl3 F5 P S2 -","- C120 H64 Br4 Cl12 F20 P4 S8 -","4","1","","Yi Ren; Thomas Baumgartner","Structure-Property Studies Toward the Stimuli-Responsive Behavior of Benzyl-Phospholium Acenes","Inorganic Chemistry","2012","51","","2669","2678","10.1021/ic2026335","","","0.71073","MoKα","","0.1122","0.0777","","","0.182","0.2144","","","","","","1.085","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328450","10.017","0.0002","11.659","0.0003","12.735","0.0004","68.464","0.002","70.604","0.001","67.185","0.002","1243.6","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H12 Br Cl3 F5 P S2 -","- C22 H12 Br Cl3 F5 P S2 -","- C44 H24 Br2 Cl6 F10 P2 S4 -","2","1","","Yi Ren; Thomas Baumgartner","Structure-Property Studies Toward the Stimuli-Responsive Behavior of Benzyl-Phospholium Acenes","Inorganic Chemistry","2012","51","","2669","2678","10.1021/ic2026335","","","0.71073","MoKα","","0.0552","0.0416","","","0.0824","0.0949","","","","","","1.099","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328451","13.991","0.0004","14.078","0.0004","14.341","0.0004","67.896","0.001","62.236","0.001","84.393","0.001","2305.39","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Br Cl12 O3 P S2 -","- C36 H30 Br Cl12 O3 P S2 -","- C72 H60 Br2 Cl24 O6 P2 S4 -","2","1","","Yi Ren; Thomas Baumgartner","Structure-Property Studies Toward the Stimuli-Responsive Behavior of Benzyl-Phospholium Acenes","Inorganic Chemistry","2012","51","","2669","2678","10.1021/ic2026335","","","0.71073","MoKα","","0.0865","0.0619","","","0.1347","0.1573","","","","","","1.103","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328452","25.007","0.0007","9.949","0.0003","19.579","0.0006","90","","93.64","0.002","90","","4861.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Br P S2 -","- C29 H20 Br P S2 -","- C232 H160 Br8 P8 S16 -","8","1","","Yi Ren; Thomas Baumgartner","Structure-Property Studies Toward the Stimuli-Responsive Behavior of Benzyl-Phospholium Acenes","Inorganic Chemistry","2012","51","","2669","2678","10.1021/ic2026335","","","0.71073","MoKα","","0.0777","0.0546","","","0.1317","0.1459","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328453","10.718","0.0007","16.8947","0.0009","24.9893","0.0014","90","","90","","90","","4525","0.5","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B11 N -","- C14 H36 B11 N -","- C112 H288 B88 N8 -","8","1","","Alexander Himmelspach; Guido J. Reiß; Maik Finze","Microwave-Assisted Kumada-Type Cross-Coupling Reactions of Iodinated Carba-closo-dodecaborate Anions","Inorganic Chemistry","2012","51","","2679","2688","10.1021/ic202638k","","","0.71073","MoKα","","0.0754","0.0495","","","0.0874","0.0938","","","","","","1.063","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328454","10.2163","0.0003","17.0365","0.0006","26.2239","0.001","90","","90","","90","","4564.3","0.3","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B11 N -","- C15 H36 B11 N -","- C120 H288 B88 N8 -","8","1","","Alexander Himmelspach; Guido J. Reiß; Maik Finze","Microwave-Assisted Kumada-Type Cross-Coupling Reactions of Iodinated Carba-closo-dodecaborate Anions","Inorganic Chemistry","2012","51","","2679","2688","10.1021/ic202638k","","","0.71073","MoKα","","0.0835","0.0579","","","0.104","0.1104","","","","","","1.036","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328455","16.739","0.003","32.5","0.007","10.328","0.002","90","","90","","90","","5618.6","1.9","290","2","290","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C19 H44 B11 N O2 -","- C19 H44 B11 N O2 -","- C152 H352 B88 N8 O16 -","8","","","Alexander Himmelspach; Guido J. Reiß; Maik Finze","Microwave-Assisted Kumada-Type Cross-Coupling Reactions of Iodinated Carba-closo-dodecaborate Anions","Inorganic Chemistry","2012","51","","2679","2688","10.1021/ic202638k","","","0.71073","MoKα","","0.0906","0.073","","","0.1418","0.1456","","","","","","1.915","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328456","7.979","0.003","10.106","0.004","14.852","0.006","85.88","0.03","86.36","0.03","75.45","0.03","1154.9","0.8","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 B11 P -","- C19 H26 B11 P -","- C38 H52 B22 P2 -","2","1","","Alexander Himmelspach; Guido J. Reiß; Maik Finze","Microwave-Assisted Kumada-Type Cross-Coupling Reactions of Iodinated Carba-closo-dodecaborate Anions","Inorganic Chemistry","2012","51","","2679","2688","10.1021/ic202638k","","","0.71073","MoKα","","0.0615","0.0546","","","0.1229","0.1299","","","","","","1.008","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328457","21.781","0.004","6.537","0.001","12.307","0.002","90","","108.56","0.01","90","","1661.2","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(1,4,8,11-Tetrathiacyclotetradecane)trichlorogallium(III)","","- C10 H20 Cl3 Ga S4 -","- C10 H20 Cl3 Ga S4 -","- C40 H80 Cl12 Ga4 S16 -","4","0.5","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.0213","0.0193","","","0.0413","0.0424","","","","","","1.096","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328458","14.503","0.004","21.168","0.005","15.591","0.003","90","","100.711","0.01","90","","4703","1.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dichloro(1,5,9,13-tetrathiacyclohexadecane)gallium(III) tetrachlorogallate","","- C12 H24 Cl6 Ga2 S4 -","- C12 H24 Cl6 Ga2 S4 -","- C96 H192 Cl48 Ga16 S32 -","8","2","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.1895","0.098","","","0.2099","0.267","","","","","","1.112","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328459","9.9535","0.001","21.461","0.004","23.331","0.004","90","","90","","90","","4983.8","1.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichloro(1,5,9,13-tetraselenacyclohexadecane)gallium tetrachlorogallate(III)","","- C12 H24 Cl6 Ga2 Se4 -","- C12 H24 Cl6 Ga2 Se4 -","- C96 H192 Cl48 Ga16 Se32 -","8","1","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.0558","0.0371","","","0.0749","0.0851","","","","","","1.093","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328460","6.9436","0.0015","22.508","0.005","8.4877","0.0015","90","","100.735","0.01","90","","1303.3","0.5","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","dichloro(1,5,9,13-tetraselenacyclohexadecane)indium tetrachloroindate(III)","","- C12 H24 Cl6 In2 Se4 -","- C12 H24 Cl6 In2 Se4 -","- C24 H48 Cl12 In4 Se8 -","2","0.5","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.1182","0.0652","","","0.1015","0.1202","","","","","","1.159","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328461","9.0156","0.0015","14.148","0.003","10.4855","0.0015","90","","99.204","0.01","90","","1320.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-bi-1,5-diselenocan-1-ium bis(tetrachlorogallate(III))","","- C12 H24 Cl8 Ga2 Se4 -","- C12 H24 Cl8 Ga2 Se4 -","- C24 H48 Cl16 Ga4 Se8 -","2","0.5","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.0355","0.0271","","","0.0527","0.0563","","","","","","1.161","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328462","7.3566","0.001","12.521","0.002","18.67","0.003","90","","93.107","0.01","90","","1717.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-chloro-1,5-diselenocan-1-ium tetrachlorogallate(III) dichloromethane solvate","","- C7 H14 Cl7 Ga Se2 -","- C7 H14 Cl7 Ga Se2 -","- C28 H56 Cl28 Ga4 Se8 -","4","1","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.024","0.0204","","","0.0486","0.051","","","","","","1.051","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328463","9.4813","0.0015","14.009","0.003","18.403","0.003","90","","104.377","0.01","90","","2367.8","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-phenylenebis[(chloromethyl)(methyl)sulfonium] bis(tetrachlorogallate(III))","","- C10 H14 Cl10 Ga2 S2 -","- C10 H14 Cl10 Ga2 S2 -","- C40 H56 Cl40 Ga8 S8 -","4","1","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.0989","0.0734","","","0.1808","0.1987","","","","","","1.03","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328464","18.561","0.004","10.809","0.003","13.495","0.003","90","","126.201","0.005","90","","2184.8","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,2-bis[(ethylthio)methyl]benzene)bis(trichlorogallium(III))","","- C12 H18 Cl6 Ga2 S2 -","- C12 H18 Cl6 Ga2 S2 -","- C48 H72 Cl24 Ga8 S8 -","4","0.5","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.1035","0.0736","","","0.1261","0.14","","","","","","1.108","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328465","24.016","0.005","18.726","0.005","14.995","0.004","90","","114.76","0.02","90","","6124","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(1,2-bis(ethylthiomethyl)benzene)tetrakis(trichloroindium(III)) dichloromethane solvate","","- C38 H58 Cl16 In4 S6 -","- C38 H58 Cl16 In4 S6 -","- C152 H232 Cl64 In16 S24 -","4","0.5","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.1226","0.0832","","","0.1465","0.1598","","","","","","1.068","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328466","11.9887","0.0004","18.6365","0.0004","17.9807","0.0006","90","","90","","90","","4017.4","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C45 H38 N3 O9 Zn2 -","- C45 H38 N3 O9 Zn2 -","- C180 H152 N12 O36 Zn8 -","4","0.5","","Yan-Ping He; Yan-Xi Tan; Fei Wang; Jian Zhang","Microporous Zinc Tris[(4-carboxyl)phenylduryl]amine Framework with an Unusual Topological Net for Gas Storage and Separation","Inorganic Chemistry","2012","51","","1995","1997","10.1021/ic202713e","","","0.71073","MoKα","","0.0628","0.0461","","","0.143","0.1612","","","","","","1.164","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328467","26.497","0.003","24.09","0.002","29.268","0.003","90","","113.888","0.002","90","","17082","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(K-crypt)[Ge9(Si(Si(CH3)3)3]","","- C45 H117 Ge9 K N2 O6 Si12 -","- C45 H117 Ge9 K N2 O6 Si12 -","- C360 H936 Ge72 K8 N16 O48 Si96 -","8","2","","Feng Li; Slavi C. Sevov","Rational Synthesis of [Ge9{Si(SiMe3)3}3]- from Its Parent Zintl Ion Ge94-","Inorganic Chemistry","2012","51","","2706","2708","10.1021/ic202744d","","","0.71073","MoKα","","0.1023","0.0436","","","0.0812","0.101","","","","","","1.002","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328468","16.1229","0.0011","18.8559","0.0012","12.8543","0.001","90","","123.511","0.005","90","","3258.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H72 N8 O Ti -","- C64 H72 N8 O Ti -","- C128 H144 N16 O2 Ti2 -","2","0.25","","Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer","Axial Functionalization of Sterically Hindered Titanium Phthalocyanines","Inorganic Chemistry","2012","51","","2709","2717","10.1021/ic202749v","","","0.71073","MoKα","","0.154","0.0843","","","0.2101","0.2279","","","","","","0.874","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328469","28.953","0.004","28.953","0.004","28.953","0.004","90","","90","","90","","24271","6","100","2","100","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C135 H158 Cl18 N16 Ti2 -","- C135 H158 Cl18 N16 Ti2 -","- C810 H948 Cl108 N96 Ti12 -","6","0.125","","Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer","Axial Functionalization of Sterically Hindered Titanium Phthalocyanines","Inorganic Chemistry","2012","51","","2709","2717","10.1021/ic202749v","","","0.71073","MoKα","","0.1472","0.0613","","","0.1399","0.1601","","","","","","0.715","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328470","13.2868","0.0011","18.8506","0.0011","14.4279","0.0012","90","","111.031","0.006","90","","3373","0.5","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C82 H90 N8 O Ti -","- C82 H90 N8 O Ti -","- C164 H180 N16 O2 Ti2 -","2","0.25","","Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer","Axial Functionalization of Sterically Hindered Titanium Phthalocyanines","Inorganic Chemistry","2012","51","","2709","2717","10.1021/ic202749v","","","0.71073","MoKα","","0.1685","0.0628","","","0.1359","0.1689","","","","","","0.865","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328471","32.4964","0.0018","32.4964","0.0018","16.3282","0.001","90","","90","","120","","14932.7","1.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C239 H282 N24 -","- C239 H281.999 N24 -","- C716.999 H845.998 N72 -","3","0.166667","","Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer","Axial Functionalization of Sterically Hindered Titanium Phthalocyanines","Inorganic Chemistry","2012","51","","2709","2717","10.1021/ic202749v","","","0.71073","MoKα","","0.3209","0.0586","","","0.1043","0.1782","","","","","","0.791","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328472","13.5553","0.0002","13.7348","0.0002","28.9568","0.0004","99.474","0.0007","92.715","0.0007","93.147","0.0008","5300.89","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H114 Cl20 N12 Se13 Zn14 -","- C45 H114 Cl20 N12 Se13 Zn14 -","- C90 H228 Cl40 N24 Se26 Zn28 -","2","1","","Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan","Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters","Inorganic Chemistry","2012","51","","2747","2756","10.1021/ic200307g","","","0.71073","MoKα","","0.1008","0.0629","","","0.1856","0.2358","","","","","","0.849","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328473","13.5003","0.0007","13.7288","0.0007","28.6237","0.0014","99.918","0.002","93.06","0.003","93.835","0.002","5202.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H114 Cl20 Mn N12 S13 Zn13 -","- C45 H114 Cl20 Mn N12 S13 Zn13 -","- C90 H228 Cl40 Mn2 N24 S26 Zn26 -","2","1","","Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan","Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters","Inorganic Chemistry","2012","51","","2747","2756","10.1021/ic200307g","","","0.71073","MoKα","","0.105","0.052","","","0.1082","0.1245","","","","","","1.038","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328474","13.5535","0.0007","13.7519","0.0007","28.9793","0.0015","99.455","0.002","92.747","0.002","93.28","0.002","5310.2","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H110 Cl20 Mn N12 Se13 Zn13 -","- C45 H110 Cl20 Mn N12 Se13 Zn13 -","- C90 H220 Cl40 Mn2 N24 Se26 Zn26 -","2","1","","Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan","Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters","Inorganic Chemistry","2012","51","","2747","2756","10.1021/ic200307g","","","0.71073","MoKα","","0.0988","0.0583","","","0.1364","0.1538","","","","","","1.075","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328475","25.525","0.0003","25.525","0.0003","27.9532","0.0005","90","","90","","120","","15772.3","0.4","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C39.5 H103 Cl9 Mn5.6 N12 Se13 Zn8.4 -","- C39.5 H102 Cl9 Mn5.6 N12 Se13 Zn8.4 -","- C237 H612 Cl54 Mn33.6 N72 Se78 Zn50.4 -","6","1","","Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan","Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters","Inorganic Chemistry","2012","51","","2747","2756","10.1021/ic200307g","","","0.71073","MoKα","","0.1254","0.0625","","","0.1553","0.1864","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328476","13.461","0.0019","13.711","0.0019","28.542","0.004","100","0.006","93.06","0.007","93.71","0.008","5165.7","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H114 Cl20 N12 S13 Zn14 -","- C45 H114 Cl20 N12 S13 Zn14 -","- C90 H228 Cl40 N24 S26 Zn28 -","2","1","","Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan","Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters","Inorganic Chemistry","2012","51","","2747","2756","10.1021/ic200307g","","","0.71073","MoKα","","0.0641","0.0431","","","0.1051","0.1142","","","","","","1.029","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328477","13.248","0.002","13.779","0.002","14.05","0.001","108.3","0.01","103.97","0.01","110.889","0.002","2086.7","0.5","100","2","100","2","","","","","","","synthesis as described","6","P 1","P 1","1","","aa ?","","- C89 H89 N O15 P6 V3 -","- C89 H89 N O15 P6 V3 -","- C89 H89 N O15 P6 V3 -","1","1","","John S. Maass; Zhichao Chen; Matthias Zeller; Floriana Tuna; Richard E. P. Winpenny; Rudy L. Luck","Syntheses, X-ray Structural Characterizations, and Thermal Stabilities of Two Nonclassical Trinuclear Vanadium(IV) Complexes, (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(H2O) and (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(py), and Polymeric Complexes of Stoichiometry (VO(O2PR2)2)\ιnfty, R2 = Ph2 and o-(CH2)2(C6H4)","Inorganic Chemistry","2012","51","","2766","2776","10.1021/ic201259u","","x-ray","0.71069","MoKα","","0.0617","0.0475","","","0.099","0.1085","","","","","","0.998","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328478","26.63","0.01","20.903","0.008","16.779","0.007","90","","90.804","0.009","90","","9339","6","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C175 H186 Cl14 O32 P12 V6 -","- C175 H185.984 Cl14 O31.992 P12 V6 -","- C350 H371.968 Cl28 O63.984 P24 V12 -","2","0.5","","John S. Maass; Zhichao Chen; Matthias Zeller; Floriana Tuna; Richard E. P. Winpenny; Rudy L. Luck","Syntheses, X-ray Structural Characterizations, and Thermal Stabilities of Two Nonclassical Trinuclear Vanadium(IV) Complexes, (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(H2O) and (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(py), and Polymeric Complexes of Stoichiometry (VO(O2PR2)2)\ιnfty, R2 = Ph2 and o-(CH2)2(C6H4)","Inorganic Chemistry","2012","51","","2766","2776","10.1021/ic201259u","","x-ray","0.71069","MoKα","","0.1268","0.0712","","","0.1822","0.2125","","","","","","1.028","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328479","13.1842","0.0008","13.7341","0.0009","13.9398","0.0009","108.063","0.001","103.954","0.001","110.953","0.001","2057.4","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C87.91 H88.34 N0.78 O15.22 P6 V3 -","- C87.91 H88.346 N0.782 O15.218 P6 V3 -","- C87.91 H88.346 N0.782 O15.218 P6 V3 -","1","1","","John S. Maass; Zhichao Chen; Matthias Zeller; Floriana Tuna; Richard E. P. Winpenny; Rudy L. Luck","Syntheses, X-ray Structural Characterizations, and Thermal Stabilities of Two Nonclassical Trinuclear Vanadium(IV) Complexes, (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(H2O) and (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(py), and Polymeric Complexes of Stoichiometry (VO(O2PR2)2)\ιnfty, R2 = Ph2 and o-(CH2)2(C6H4)","Inorganic Chemistry","2012","51","","2766","2776","10.1021/ic201259u","","x-ray","0.71073","MoKα","","0.0773","0.0516","","","0.1112","0.1196","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328480","13.0245","0.0012","10.1167","0.001","6.558","0.0006","90","","90.243","0.001","90","","864.11","0.14","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Eu3Ga2P4","","","- Eu3 Ga2 P4 -","- Eu3 Ga2 P4 -","- Eu12 Ga8 P16 -","4","0.5","","Naohito Tsujii; Catherine A. Uvarov; Peter Klavins; Tanghong Yi; Susan M. Kauzlarich","Crystal Structure and a Giant Magnetoresistance Effect in the New Zintl Compound Eu3Ga2P4","Inorganic Chemistry","2012","51","","2860","2866","10.1021/ic202018r","","","0.71073","MoKα","","0.0245","0.0214","","","0.0531","0.0545","","","","","","1.07","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328481","15.1992","0.0014","4.912","0.0004","22.877","0.002","90","","101.504","0.01","90","","1673.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cobalt(II)-hydroxy-sebacate","","","- C15 H25 Co2 O7 -","- C15 H25 Co2 O7 -","- C60 H100 Co8 O28 -","4","1","","Romain Sibille; Thomas Mazet; Bernard Malaman; Thomas Gaudisson; Michel François","Co4(OH)2(C10H16O4)3 Metal-Organic Framework: Slow Magnetic Relaxation in the Ordered Phase of Magnetic Chains","Inorganic Chemistry","2012","51","","2885","2892","10.1021/ic2020995","","","0.71073","MoKα","","0.1063","0.0545","","","0.1095","0.1236","","","","","","0.918","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328482","27.6965","0.0008","7.4316","0.0002","26.0402","0.0009","90","","97.359","0.005","90","","5315.7","0.3","180","","180","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H2 B F18 N4 Tl -","- C26 H2 B F18 N4 Tl -","- C208 H16 B8 F144 N32 Tl8 -","8","1","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","","0.71073","MoKα","","0.0393","0.0271","","","0.0562","0.0589","","","","","","1.067","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328483","7.048","0.0005","14.081","0.0008","21.725","0.0014","90","","90","","90","","2156.1","0.2","180","2","180","2","","","","","","","synthesis as described","4","P b c 21","P 2c -2b","29","","","","- C13 H6 F4 N2 -","- C13 H6 F4 N2 -","- C104 H48 F32 N16 -","8","2","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","","0.71073","MoKα","","0.0766","0.062","","","0.1506","0.1606","","","","","","0.983","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328484","3.8186","0.0001","12.3676","0.0003","13.7752","0.0004","67.237","0.003","82.115","0.002","89.001","0.002","593.77","0.03","180","2","180","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C13 H F9 N2 -","- C13 H F9 N2 -","- C26 H2 F18 N4 -","2","1","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","x-ray","0.71073","MoKα","","0.0323","0.027","","","0.081","0.083","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328485","12.6031","0.001","7.5208","0.0006","15.6167","0.0015","90","","109.848","0.01","90","","1392.3","0.2","180","","180","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H4 F10 N2 -","- C15 H4 F10 N2 -","- C60 H16 F40 N8 -","4","1","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","","0.71073","MoKα","","0.0964","0.0694","","","0.1742","0.1881","","","","","","1.128","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328486","11.937","0.0006","11.961","0.0006","14.406","0.0007","104.02","0.004","110.394","0.004","103.113","0.004","1757.51","0.18","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C39 H16 B F12 N6 Tl -","- C39 H16 B F12 N6 Tl -","- C78 H32 B2 F24 N12 Tl2 -","2","1","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","","0.71073","MoKα","","0.0568","0.0311","","","0.068","0.0884","","","","","","1.135","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328487","11.2334","0.0008","13.225","0.0011","15.366","0.002","104.709","0.003","96.815","0.006","100.048","0.005","2142.1","0.4","180","2","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C45 H28 B F12 N6 Tl -","- C45 H28 B F12 N6 Tl -","- C90 H56 B2 F24 N12 Tl2 -","2","1","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","","0.71073","MoKα","","0.0383","0.0283","","","0.058","0.0602","","","","","","1.006","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328488","20.592","0.0004","21.808","0.0005","11.176","0.0002","90","","94.027","0.002","90","","5006.42","0.18","180","","180","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H10 B F30 N6 Tl -","- C45 H10 B F30 N6 Tl -","- C180 H40 B4 F120 N24 Tl4 -","4","1","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","","0.71073","MoKα","","0.0425","0.0299","","","0.078","0.0812","","","","","","1.064","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328489","11.8175","0.0003","13.9013","0.0003","14.9703","0.0004","110.435","0.002","99.598","0.002","104.244","0.002","2145.53","0.11","180","2","180","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41 H9 B F27 N6 O2 Tl -","- C41 H9 B F27 N6 O2 Tl -","- C82 H18 B2 F54 N12 O4 Tl2 -","2","1","","Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne","Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond","Inorganic Chemistry","2012","51","","2893","2901","10.1021/ic202125c","","","0.71073","MoKα","","0.0421","0.035","","","0.0873","0.0908","","","","","","1.034","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328490","14.5096","0.0012","16.5305","0.0014","21.2217","0.0018","77.047","0.001","88.598","0.002","82.438","0.001","4917.3","0.7","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H140 N6 Na2 O U2 -","- C100 H140 N6 Na2 O U2 -","- C200 H280 N12 Na4 O2 U4 -","2","1","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.057","0.044","","","0.0863","0.0901","","","","","","1.048","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328491","14.965","0.004","12.845","0.003","27.007","0.007","90","","96.342","0.004","90","","5160","2","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C91 H128 I K2 N6 U2 -","- C91 H128 I K2 N6 U2 -","- C182 H256 I2 K4 N12 U4 -","2","1","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.04","0.0362","","","0.0854","0.087","","","","","","1.068","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328492","17.1223","0.0009","21.3687","0.0012","26.0973","0.0014","86.999","0.001","89.463","0.001","81.841","0.001","9438.9","0.9","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H138 K N6 O2 U2 -","- C95 H138 K N6 O2 U2 -","- C380 H552 K4 N24 O8 U8 -","4","2","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.0954","0.063","","","0.159","0.1789","","","","","","1.042","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328493","14.1784","0.001","15.5376","0.001","26.3282","0.0018","96.588","0.001","98.093","0.001","114.213","0.001","5140.7","0.6","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H135 N6 Na S3 U2 -","- C102 H135 N6 Na S3 U2 -","- C204 H270 N12 Na2 S6 U4 -","2","1","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.0798","0.0428","","","0.0876","0.0945","","","","","","0.9","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328494","13.333","0.009","15.976","0.01","24.367","0.016","75.067","0.01","77.38","0.012","70.936","0.011","4688","5","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C192 H260 N16 U4 -","- C192 H260 N16 U4 -","- C192 H260 N16 U4 -","1","0.5","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.0785","0.0475","","","0.1167","0.1287","","","","","","1.004","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328495","11.2787","0.0009","14.5337","0.0012","28.312","0.002","90","","90","","90","","4640.9","0.6","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H68 N3 U -","- C50 H68 N3 U -","- C200 H272 N12 U4 -","4","1","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.0394","0.0379","","","0.0884","0.0892","","","","","","1.059","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328496","12.716","0.002","20.127","0.003","21.269","0.004","80.677","0.003","74.006","0.004","81.011","0.005","5127.8","1.5","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H130 K2 N6 U2 -","- C98 H130 K2 N6 U2 -","- C196 H260 K4 N12 U4 -","2","1","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.0696","0.0534","","","0.1462","0.1547","","","","","","1.053","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328497","12.7301","0.0012","13.8813","0.0013","21.377","0.002","100.08","0.002","99.818","0.002","107.716","0.002","3440.5","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[FeIIFeIII(N-Et-HPTB)(O2CPh)(CH3CN)2](ClO4)3","","","- C62 H72 Cl3 Fe2 N16 O15 -","- C62 H72 Cl3 Fe2 N16 O15 -","- C124 H144 Cl6 Fe4 N32 O30 -","2","1","","Feifei Li; Mrinmoy Chakrabarti; Yanhong Dong; Karl Kauffmann; Emile L. Bominaar; Eckard Münck; Lawrence Que","Structural, EPR, and Mössbauer Characterization of (μ-Alkoxo)(μ-Carboxylato)Diiron(II,III) Model Complexes for the Active Sites of Mixed-Valent Diiron Enzymes","Inorganic Chemistry","2012","51","","2917","2929","10.1021/ic2021726","","","0.71073","MoKα","","0.0557","0.0391","","","0.1045","0.1188","","","","","","1.022","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328498","12.6268","0.0012","13.5238","0.0013","22.292","0.002","107.208","0.002","90.163","0.002","105.689","0.002","3486.5","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[FeIIFeIII(N-Et-HPTB)(O2CPh)(Cl)(HOCH3)](ClO4)2","","","- C57 H69 Cl3 Fe2 N11 O13 -","- C57 H69 Cl3 Fe2 N11 O13 -","- C114 H138 Cl6 Fe4 N22 O26 -","2","1","","Feifei Li; Mrinmoy Chakrabarti; Yanhong Dong; Karl Kauffmann; Emile L. Bominaar; Eckard Münck; Lawrence Que","Structural, EPR, and Mössbauer Characterization of (μ-Alkoxo)(μ-Carboxylato)Diiron(II,III) Model Complexes for the Active Sites of Mixed-Valent Diiron Enzymes","Inorganic Chemistry","2012","51","","2917","2929","10.1021/ic2021726","","","0.71073","MoKα","","0.0757","0.0532","","","0.1531","0.165","","","","","","1.118","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328499","12.83","0.001","18.301","0.001","13.385","0.001","90","","95.182","0.006","90","","3130","0.4","100","2","100","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- C84 Cl22.33 -","- C84 Cl22.328 -","- C168 Cl44.656 -","2","0.5","","Maria A. Lanskikh; Nadezhda B. Tamm; Lev N. Sidorov; Sergey I. Troyanov","Capturing C84 Isomers as Chlorides and Pentafluoroethyl Derivatives: C84Cl22 and C84(C2F5)12","Inorganic Chemistry","2012","51","","2719","2721","10.1021/ic202210s","","","0.84344","synchrotron","","0.0642","0.0493","","","0.1276","0.1367","","","","","","1.031","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328500","13.388","0.001","23.356","0.002","13.546","0.001","90","","110.329","0.002","90","","3971.9","0.5","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C108 F60 -","- C108 F60 -","- C216 F120 -","2","1","","Maria A. Lanskikh; Nadezhda B. Tamm; Lev N. Sidorov; Sergey I. Troyanov","Capturing C84 Isomers as Chlorides and Pentafluoroethyl Derivatives: C84Cl22 and C84(C2F5)12","Inorganic Chemistry","2012","51","","2719","2721","10.1021/ic202210s","","","0.905","","","0.2202","0.1034","","","0.219","0.2521","","","","","","1.129","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328501","11.95","0.002","14.476","0.003","26.043","0.008","90","","103.39","0.03","90","","4382.7","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Br4 N6 Se2 -","- C37 H39 Br4 N6 Se2 -","- C148 H156 Br16 N24 Se8 -","4","1","","Caleb D. Martin; Paul J. Ragogna","Reactions of Diiminopyridine Ligands with Chalcogen Halides","Inorganic Chemistry","2012","51","","2947","2953","10.1021/ic202213x","","","0.71073","MoKα","","0.1097","0.0924","","","0.2599","0.2812","","","","","","1.227","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328502","11.413","0.002","14.31","0.003","26.554","0.007","90","","103","0.03","90","","4225.6","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Cl4 N6 Se2 -","- C37 H45 Cl4 N6 Se2 -","- C148 H180 Cl16 N24 Se8 -","4","1","","Caleb D. Martin; Paul J. Ragogna","Reactions of Diiminopyridine Ligands with Chalcogen Halides","Inorganic Chemistry","2012","51","","2947","2953","10.1021/ic202213x","","","0.71073","MoKα","","0.1368","0.0604","","","0.1419","0.1822","","","","","","0.965","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328503","10.592","0.002","14.103","0.003","26.737","0.007","90","","104.43","0.03","90","","3867.9","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Br3 N3 O Te -","- C37 H42 Br3 N3 O Te -","- C148 H168 Br12 N12 O4 Te4 -","4","1","","Caleb D. Martin; Paul J. Ragogna","Reactions of Diiminopyridine Ligands with Chalcogen Halides","Inorganic Chemistry","2012","51","","2947","2953","10.1021/ic202213x","","","0.71073","MoKα","","0.0581","0.0438","","","0.1166","0.1337","","","","","","1.055","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328504","12.7211","0.0012","20.3795","0.0019","17.9128","0.0017","90","","95.894","0.002","90","","4619.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H94 Cl6 N6 Se3 -","- C86 H94 Cl6 N6 Se3 -","- C172 H188 Cl12 N12 Se6 -","2","0.5","","Caleb D. Martin; Paul J. Ragogna","Reactions of Diiminopyridine Ligands with Chalcogen Halides","Inorganic Chemistry","2012","51","","2947","2953","10.1021/ic202213x","","","0.71073","MoKα","","0.1305","0.0652","","","0.1553","0.1768","","","","","","0.949","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328505","12.5843","0.0019","13.324","0.002","16.054","0.002","71.556","0.003","72.774","0.003","80.973","0.004","2433.1","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H49 Cl8 N3 S -","- C45 H49 Cl8 N3 S -","- C90 H98 Cl16 N6 S2 -","2","1","","Caleb D. Martin; Paul J. Ragogna","Reactions of Diiminopyridine Ligands with Chalcogen Halides","Inorganic Chemistry","2012","51","","2947","2953","10.1021/ic202213x","","","0.71073","MoKα","","0.1635","0.0775","","","0.1777","0.2031","","","","","","1.045","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328506","18.041","0.002","14.442","0.002","20.886","0.002","90","","90","","90","","5441.8","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","hexacarbonylbis(μ-benzenethiolato)(μ-pyridazine-κN1:κN2)dirhenium dichloromethane solvate","","- C23 H16 Cl2 N2 O6 Re2 S2 -","- C23 H16 Cl2 N2 O6 Re2 S2 -","- C184 H128 Cl16 N16 O48 Re16 S16 -","8","1","","Alessio Raimondi; Monica Panigati; Daniela Maggioni; Laura D'Alfonso; Pierluigi Mercandelli; Patrizia Mussini; Giuseppe D'Alfonso","Electrochemical, Computational, and Photophysical Characterization of New Luminescent Dirhenium-Pyridazine Complexes Containing Bridging OR or SR Anions","Inorganic Chemistry","2012","51","","2966","2975","10.1021/ic202284a","","","0.71073","MoKα","","0.0277","0.0231","","","0.053","0.0545","","","","","","1.087","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328507","19.395","0.002","25.618","0.002","10.262","0.002","90","","90","","90","","5098.8","1.2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","hexacarbonylbis(μ-pentafluorophenolato)(μ-pyridazine-κN1:κN2)dirhenium","","- C22 H4 F10 N2 O8 Re2 -","- C22 H4 F10 N2 O8 Re2 -","- C176 H32 F80 N16 O64 Re16 -","8","0.5","","Alessio Raimondi; Monica Panigati; Daniela Maggioni; Laura D'Alfonso; Pierluigi Mercandelli; Patrizia Mussini; Giuseppe D'Alfonso","Electrochemical, Computational, and Photophysical Characterization of New Luminescent Dirhenium-Pyridazine Complexes Containing Bridging OR or SR Anions","Inorganic Chemistry","2012","51","","2966","2975","10.1021/ic202284a","","","0.71073","MoKα","","0.0314","0.0243","","","0.0484","0.0507","","","","","","1.017","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328508","8.86","0.002","12.518","0.002","23.094","0.002","90","","96.1","0.02","90","","2546.8","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","hexacarbonylbis(μ-phenolato)(μ-pyridazine-κN1:κN2)dirhenium dichloromethane solvate","","- C22.5 H15 Cl N2 O8 Re2 -","- C22.5 H15 Cl N2 O8 Re2 -","- C90 H60 Cl4 N8 O32 Re8 -","4","1","","Alessio Raimondi; Monica Panigati; Daniela Maggioni; Laura D'Alfonso; Pierluigi Mercandelli; Patrizia Mussini; Giuseppe D'Alfonso","Electrochemical, Computational, and Photophysical Characterization of New Luminescent Dirhenium-Pyridazine Complexes Containing Bridging OR or SR Anions","Inorganic Chemistry","2012","51","","2966","2975","10.1021/ic202284a","","","0.71073","MoKα","","0.0518","0.0313","","","0.0581","0.0635","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328509","19.772","0.018","6.835","0.006","11.481","0.01","90","","98.18","0.03","90","","1536","2","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C13 H12 Br0.41 Cl0.59 Mn N2 O6 -","- C13 H12 Br0.406 Cl0.594 Mn N2 O6 -","- C52 H48 Br1.624 Cl2.376 Mn4 N8 O24 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0868","0.0628","","","0.1453","0.156","","","","","","0.982","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328510","9.625","0.002","11.315","0.003","18.996","0.004","80.184","0.004","86.999","0.004","82.72","0.004","2021.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H20 Cl2 Mo N2 O5 -","- C16.5 H20 Cl2 Mo N2 O5 -","- C66 H80 Cl8 Mo4 N8 O20 -","4","2","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0343","0.027","","","0.0668","0.0704","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328511","23.663","0.006","9.677","0.002","9.539","0.002","90","","96.507","0.005","90","","2170.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br Mn N3 O7 -","- C17 H19 Br Mn N3 O7 -","- C68 H76 Br4 Mn4 N12 O28 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.1135","0.0625","","","0.1407","0.1742","","","","","","1.029","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328512","24.097","0.005","9.335","0.002","9.501","0.002","90","","94.857","0.004","90","","2129.5","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl Mn N3 O7 -","- C17 H19 Cl Mn N3 O7 -","- C68 H76 Cl4 Mn4 N12 O28 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0643","0.0415","","","0.1097","0.1339","","","","","","1.119","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328513","9.562","0.002","9.795","0.003","21.767","0.006","90","","90","","90","","2038.7","0.9","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H17 Br N3 O7 Re -","- C16 H17 Br N3 O7 Re -","- C64 H68 Br4 N12 O28 Re4 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0511","0.0343","","","0.0742","0.0811","","","","","","0.981","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328514","7.695","0.002","8.3","0.002","15.804","0.004","88.835","0.006","89.667","0.005","68.99","0.005","942.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl Mo N3 O5 -","- C16 H18 Cl Mo N3 O5 -","- C32 H36 Cl2 Mo2 N6 O10 -","2","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0305","0.0265","","","0.0658","0.0679","","","","","","1.045","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328515","7.657","0.003","8.413","0.003","15.951","0.007","91.103","0.008","90.002","0.009","110.391","0.008","962.9","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Br Mo N3 O5 -","- C16 H18 Br Mo N3 O5 -","- C32 H36 Br2 Mo2 N6 O10 -","2","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0904","0.0412","","","0.0703","0.0866","","","","","","0.912","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328516","7.6722","0.0016","13.827","0.003","33.483","0.007","90","","90","","90","","3552","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Br Mo N3 O5 -","- C15 H16 Br Mo N3 O5 -","- C120 H128 Br8 Mo8 N24 O40 -","8","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.1133","0.0412","","","0.0821","0.1179","","","","","","1.072","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328517","9.561","0.004","11.781","0.005","24.017","0.009","90","","90","","90","","2705.2","1.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Cl Mo N3 O6 -","- C23 H32 Cl Mo N3 O6 -","- C92 H128 Cl4 Mo4 N12 O24 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0293","0.0242","","","0.0589","0.062","","","","","","0.923","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328518","9.609","0.006","12.09","0.007","24.349","0.015","90","","90","","90","","2829","3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Br Mo N3 O6 -","- C23 H32 Br Mo N3 O6 -","- C92 H128 Br4 Mo4 N12 O24 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0518","0.0342","","","0.0707","0.0751","","","","","","0.947","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328519","8.7","0.003","10.292","0.003","15.972","0.005","81.354","0.007","74.841","0.006","73.947","0.007","1321.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Cl Mo N4 O7 -","- C22 H29 Cl Mo N4 O7 -","- C44 H58 Cl2 Mo2 N8 O14 -","2","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0682","0.0421","","","0.0869","0.1099","","","","","","1.069","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328520","7.494","0.0013","12.165","0.002","20.577","0.004","90","","96.271","0.007","90","","1864.7","0.6","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cd N5 O7 -","- C17 H12 Cd N5 O7 -","- C68 H48 Cd4 N20 O28 -","4","1","","Ashley N. Carolan; Amy E. Mroz; Maya El Ojaimi; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock","Metal-Ion-Complexing Properties of 2-(Pyrid-2'-yl)-1,10-phenanthroline, a More Preorganized Analogue of Terpyridyl. A Crystallographic, Fluorescence, and Thermodynamic Study","Inorganic Chemistry","2012","51","","3007","3015","10.1021/ic202337v","","","0.71073","MoKα","","0.1223","0.0786","","","0.1957","0.2404","","","","","","1.032","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328521","6.14879","0.00018","6.14879","0.00018","6.14879","0.00018","90","","90","","90","","232.471","0.012","295","","295","","","","","","","","","3","P n -3 m :1","P 4n 2 3 -1n","224","","","","- C2 Mn N2 -","- C2 Mn1.001 N2 -","- C4 Mn2.002 N4 -","2","0.0416667","","Christopher M. Kareis; Saul H. Lapidus; Peter W. Stephens; Joel S. Miller","Interpenetrating Three-Dimensional Diamondoid Lattices and Antiferromagnetic Ordering (Tc= 73 K) of MnII(CN)2","Inorganic Chemistry","2012","51","","3046","3050","10.1021/ic202393d","powder diffraction","","0.700031","synchrotron","","","","","","","","","","1.23","","","","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328522","9.7486","0.0019","13.569","0.003","15.096","0.003","73.78","0.03","74.36","0.03","79.65","0.03","1834.6","0.7","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H74 Cl Cu2 I Mo6 N4 O49 Tb2 -","- C38 H64 Cl Cu2 I Mo6 N4 O49 Tb2 -","- C38 H64 Cl Cu2 I Mo6 N4 O49 Tb2 -","1","0.5","","Xiaojia Feng; Wenzhe Zhou; Yangguang Li; Hongshan Ke; Jinkui Tang; Rodolphe Clérac; Yonghui Wang; Zhongmin Su; Enbo Wang","Polyoxometalate-Supported 3d-4f Heterometallic Single-Molecule Magnets","Inorganic Chemistry","2012","51","","2722","2724","10.1021/ic202418y","","","0.71073","MoKα","","0.0956","0.0644","","","0.1571","0.1767","","","","","","1.023","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328523","13.215","0.003","13.487","0.003","15.19","0.003","100.49","0.03","99.61","0.03","108.88","0.03","2443.5","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H84 Al2 Cu2 Mo12 N4 O73 Tb2 -","- C37 H84 Al2 Cu2 Mo12 N4 O73 Tb2 -","- C37 H84 Al2 Cu2 Mo12 N4 O73 Tb2 -","1","0.5","","Xiaojia Feng; Wenzhe Zhou; Yangguang Li; Hongshan Ke; Jinkui Tang; Rodolphe Clérac; Yonghui Wang; Zhongmin Su; Enbo Wang","Polyoxometalate-Supported 3d-4f Heterometallic Single-Molecule Magnets","Inorganic Chemistry","2012","51","","2722","2724","10.1021/ic202418y","","","0.71073","MoKα","","0.1132","0.0806","","","0.1819","0.1993","","","","","","1.046","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328524","9.2881","0.0002","19.0737","0.0003","17.2241","0.0004","90","","122.042","0.002","90","","2586.54","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl3 Cu N2 O8 Tb -","- C19 H28 Cl3 Cu N2 O8 Tb -","- C76 H112 Cl12 Cu4 N8 O32 Tb4 -","4","1","","Xiaojia Feng; Wenzhe Zhou; Yangguang Li; Hongshan Ke; Jinkui Tang; Rodolphe Clérac; Yonghui Wang; Zhongmin Su; Enbo Wang","Polyoxometalate-Supported 3d-4f Heterometallic Single-Molecule Magnets","Inorganic Chemistry","2012","51","","2722","2724","10.1021/ic202418y","","","0.71073","MoKα","","0.0347","0.0275","","","0.0664","0.0708","","","","","","1.004","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328525","11.4823","0.0002","13.2959","0.0002","14.9721","0.0002","90.163","0.001","111.876","0.001","100.418","0.001","2080.01","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H46 Mo N4 P4 -","- C47 H46 Mo N4 P4 -","- C94 H92 Mo2 N8 P8 -","2","1","","Yalan Ning; Amy A. Sarjeant; Charlotte L. Stern; Thomas H. Peterson; SonBinh T. Nguyen","One-Pot Synthesis of Mo0 Dinitrogen Complexes Possessing Monodentate and Multidentate Phosphine Ligands","Inorganic Chemistry","2012","51","","3051","3058","10.1021/ic202430m","","","0.71073","MoKα","","0.089","0.0433","","","0.0644","0.0727","","","","","","0.795","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328526","9.705","0.0001","23.4962","0.0003","20.9927","0.0002","90","","92.651","0.001","90","","4781.86","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Mo O2 P4 -","- C56 H58 Mo O2 P4 -","- C224 H232 Mo4 O8 P16 -","4","1","","Yalan Ning; Amy A. Sarjeant; Charlotte L. Stern; Thomas H. Peterson; SonBinh T. Nguyen","One-Pot Synthesis of Mo0 Dinitrogen Complexes Possessing Monodentate and Multidentate Phosphine Ligands","Inorganic Chemistry","2012","51","","3051","3058","10.1021/ic202430m","","","0.71073","MoKα","","0.1002","0.046","","","0.0962","0.1187","","","","","","0.925","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328527","8.32","0.0004","12.4615","0.0009","12.9858","0.001","107.394","0.007","103.27","0.005","94.901","0.005","1233.17","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 Cl O5 Ru S3 -","- C21 H29 Cl O5 Ru S3 -","- C42 H58 Cl2 O10 Ru2 S6 -","2","1","","Ruchi Gaur; Lallan Mishra","Synthesis and Characterization of Ru(II)-DMSO-Cl-Chalcone Complexes: DNA Binding, Nuclease, and Topoisomerase II Inhibitory Activity","Inorganic Chemistry","2012","51","","3059","3070","10.1021/ic202440r","","","0.71073","MoKα","","0.079","0.0614","","","0.1762","0.1863","","","","","","1.105","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4328528","8.3503","0.0003","12.076","0.0007","13.9832","0.0006","73.436","0.004","83.884","0.003","88.764","0.004","1343.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl O5 Ru S3 -","- C25 H31 Cl O5 Ru S3 -","- C50 H62 Cl2 O10 Ru2 S6 -","2","1","","Ruchi Gaur; Lallan Mishra","Synthesis and Characterization of Ru(II)-DMSO-Cl-Chalcone Complexes: DNA Binding, Nuclease, and Topoisomerase II Inhibitory Activity","Inorganic Chemistry","2012","51","","3059","3070","10.1021/ic202440r","","","0.71073","MoKα","","0.0459","0.0298","","","0.0635","0.0661","","","","","","0.925","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328529","8.3752","0.0003","24.7738","0.0009","14.2933","0.0006","90","","95.429","0.004","90","","2952.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Cl O5 Ru S3 -","- C29 H33 Cl O5 Ru S3 -","- C116 H132 Cl4 O20 Ru4 S12 -","4","1","","Ruchi Gaur; Lallan Mishra","Synthesis and Characterization of Ru(II)-DMSO-Cl-Chalcone Complexes: DNA Binding, Nuclease, and Topoisomerase II Inhibitory Activity","Inorganic Chemistry","2012","51","","3059","3070","10.1021/ic202440r","","","0.71073","MoKα","","0.0945","0.0432","","","0.0841","0.0911","","","","","","0.809","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328530","23.2656","0.0017","11.785","0.0005","23.5597","0.0018","90","","120.357","0.01","90","","5574","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H29 Cl2 O6 Ru S4 -","- C20.5 H29 Cl2 O6 Ru S4 -","- C164 H232 Cl16 O48 Ru8 S32 -","8","1","","Ruchi Gaur; Lallan Mishra","Synthesis and Characterization of Ru(II)-DMSO-Cl-Chalcone Complexes: DNA Binding, Nuclease, and Topoisomerase II Inhibitory Activity","Inorganic Chemistry","2012","51","","3059","3070","10.1021/ic202440r","","","0.71073","MoKα","","0.1065","0.0974","","","0.2509","0.2546","","","","","","1.221","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4328531","8.2466","0.0004","12.3466","0.0007","12.9838","0.0007","106.59","0.005","101.295","0.004","95.912","0.004","1224.52","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H27 Cl O5 Ru S4 -","- C19 H27 Cl O5 Ru S4 -","- C38 H54 Cl2 O10 Ru2 S8 -","2","1","","Ruchi Gaur; Lallan Mishra","Synthesis and Characterization of Ru(II)-DMSO-Cl-Chalcone Complexes: DNA Binding, Nuclease, and Topoisomerase II Inhibitory Activity","Inorganic Chemistry","2012","51","","3059","3070","10.1021/ic202440r","","","0.71073","MoKα","","0.0476","0.0346","","","0.0939","0.1019","","","","","","0.783","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328532","9.5262","0.00018","9.5262","0.00018","4.9605","0.00011","90","","90","","90","","450.158","0.016","300","","300","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Mo14.7 Ni2.4 Re12.9 -","- Mo14.78 Ni2.38 Re12.84 -","- Mo14.78 Ni2.38 Re12.84 -","1","0.0625","","Khurram Yaqoob; Jean-Claude Crivello; Jean-Marc Joubert","Comparison of the Site Occupancies Determined by Combined Rietveld Refinement and Density Functional Theory Calculations: Example of the Ternary Mo-Ni-Re σ Phase","Inorganic Chemistry","2012","51","","3071","3078","10.1021/ic202479y","powder diffraction","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.3183","","","","","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328533","9.3393","0.0002","9.3393","0.0002","4.90719","0.00013","90","","90","","90","","428.017","0.017","300","","300","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Mo7.68 Ni5.58 Re16.74 -","- Mo7.66 Ni5.5 Re16.84 -","- Mo7.66 Ni5.5 Re16.84 -","1","0.0625","","Khurram Yaqoob; Jean-Claude Crivello; Jean-Marc Joubert","Comparison of the Site Occupancies Determined by Combined Rietveld Refinement and Density Functional Theory Calculations: Example of the Ternary Mo-Ni-Re σ Phase","Inorganic Chemistry","2012","51","","3071","3078","10.1021/ic202479y","powder diffraction","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.4121","","","","","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328534","9.4018","0.0003","9.4018","0.0003","4.91336","0.0002","90","","90","","90","","434.31","0.03","300","","300","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Mo15.6 Ni5.7 Re8.7 -","- Mo15.56 Ni5.72 Re8.72 -","- Mo15.56 Ni5.72 Re8.72 -","1","0.0625","","Khurram Yaqoob; Jean-Claude Crivello; Jean-Marc Joubert","Comparison of the Site Occupancies Determined by Combined Rietveld Refinement and Density Functional Theory Calculations: Example of the Ternary Mo-Ni-Re σ Phase","Inorganic Chemistry","2012","51","","3071","3078","10.1021/ic202479y","powder diffraction","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.7651","","","","","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328535","10.3609","0.0002","13.2089","0.0003","11.9129","0.0003","90","","90","","90","","1630.35","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Tb -","- C18 H23 Tb -","- C72 H92 Tb4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0475","0.0242","","","0.0544","0.0598","","","","","","1.011","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328536","10.3073","0.0002","13.2464","0.0003","11.8674","0.0002","90","","90","","90","","1620.31","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Dy -","- C18 H23 Dy -","- C72 H92 Dy4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0494","0.0282","","","0.0674","0.0753","","","","","","0.871","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328537","10.2842","0.0002","13.2709","0.0003","11.8482","0.0003","90","","90","","90","","1617.05","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Ho -","- C18 H23 Ho -","- C72 H92 Ho4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0696","0.0388","","","0.0755","0.0823","","","","","","1.058","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328538","10.2662","0.0008","13.3052","0.0013","11.8298","0.0011","90","","90","","90","","1615.9","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H22 Er -","- C72 H88 Er4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0874","0.0321","","","0.0523","0.0616","","","","","","0.857","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328539","10.242","0.0003","13.3152","0.0004","11.8191","0.0003","90","","90","","90","","1611.82","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Tm -","- C18 H23 Tm -","- C72 H92 Tm4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0649","0.0381","","","0.0771","0.0812","","","","","","1.294","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328540","10.2873","0.0003","13.277","0.0003","11.8969","0.0004","90","","90","","90","","1624.93","0.08","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Y -","- C18 H22 Y -","- C72 H88 Y4 -","4","0.5","","Shang-Da Jiang; Shan-Shan Liu; Li-Nan Zhou; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Series of Lanthanide Organometallic Single-Ion Magnets","Inorganic Chemistry","2012","51","","3079","3087","10.1021/ic202511n","","","0.71073","MoKα","","0.0614","0.0345","","","0.0734","0.0823","","","","","","1.015","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328541","6.8185","0.0004","7.1522","0.0005","12.6013","0.0007","94.746","0.004","99.049","0.004","101.916","0.004","589.57","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- B7 H8 O16 Sm -","- B7 H8 O16 Sm -","- B14 H16 O32 Sm2 -","2","1","","Zheng Ying Wu; Paula Brandao; Zhi Lin","Crystallization of New Samarium Polyborates","Inorganic Chemistry","2012","51","","3088","3093","10.1021/ic202516z","","","0.71073","MoKα","","0.0437","0.0342","","","0.0747","0.0782","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328542","8.7695","0.0004","27.4712","0.0009","6.8223","0.0002","90","","127.502","0.002","90","","1303.88","0.09","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- B7 H10 O17 Sm -","- B7 H7 O17 Sm -","- B28 H28 O68 Sm4 -","4","0.5","","Zheng Ying Wu; Paula Brandao; Zhi Lin","Crystallization of New Samarium Polyborates","Inorganic Chemistry","2012","51","","3088","3093","10.1021/ic202516z","","","0.71073","MoKα","","0.0237","0.02","","","0.045","0.0486","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328543","7.6863","0.0005","16.5408","0.0009","9.8434","0.0006","90","","90.073","0.003","90","","1251.46","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B9 H6 O18 Sm -","- B9 H6 O18 Sm -","- B36 H24 O72 Sm4 -","4","1","","Zheng Ying Wu; Paula Brandao; Zhi Lin","Crystallization of New Samarium Polyborates","Inorganic Chemistry","2012","51","","3088","3093","10.1021/ic202516z","","","0.71073","MoKα","","0.0206","0.0175","","","0.0375","0.0385","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328544","35.621","0.003","9.2925","0.0008","20.426","0.0017","90","","114.656","0.001","90","","6144.7","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 O27 U3 -","- C52 H40 O27 U3 -","- C208 H160 O108 U12 -","4","0.5","","Hong-Yue Wu; Run-Xue Wang; Weiting Yang; Jinlei Chen; Zhong-Ming Sun; Jun Li; Hongjie Zhang","3-Fold-Interpenetrated Uranium-Organic Frameworks: New Strategy for Rationally Constructing Three-Dimensional Uranyl Organic Materials","Inorganic Chemistry","2012","51","","3103","3107","10.1021/ic202577z","","","0.71073","MoKα","","0.0799","0.0468","","","0.1275","0.1496","","","","","","1.047","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328545","26.1023","0.0019","9.6889","0.0007","23.6885","0.0017","90","","93.117","0.001","90","","5982","0.7","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 O11 U -","- C27 H24 O11 U -","- C216 H192 O88 U8 -","8","1","","Hong-Yue Wu; Run-Xue Wang; Weiting Yang; Jinlei Chen; Zhong-Ming Sun; Jun Li; Hongjie Zhang","3-Fold-Interpenetrated Uranium-Organic Frameworks: New Strategy for Rationally Constructing Three-Dimensional Uranyl Organic Materials","Inorganic Chemistry","2012","51","","3103","3107","10.1021/ic202577z","","","0.71073","MoKα","","0.06","0.0347","","","0.0687","0.0758","","","","","","1.015","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328546","4.4724","0.0004","18.8254","0.0016","6.9424","0.0006","90","","90","","90","","584.51","0.09","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce2 Ge3 Li2 -","- Ce2 Ge3 Li2 -","- Ce8 Ge12 Li8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0171","0.0142","","","0.0333","0.0344","","","","","","1.081","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328547","4.4625","0.0005","6.8713","0.0007","14.823","0.0015","90","","90","","90","","454.52","0.08","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ce3 Ge4 Li4 -","- Ce3 Ge4 Li4 -","- Ce6 Ge8 Li8 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0138","0.0121","","","0.0294","0.0297","","","","","","1.056","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328548","4.5311","0.0019","19.001","0.008","7.008","0.003","90","","90","","90","","603.4","0.4","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge3 La2 Li2 -","- Ge3 La2 Li2 -","- Ge12 La8 Li8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0495","0.0351","","","0.0747","0.0823","","","","","","1.006","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328549","4.5122","0.0015","6.933","0.002","15","0.005","90","","90","","90","","469.2","0.3","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge4 La3 Li4 -","- Ge4 La3 Li4 -","- Ge8 La6 Li8 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0241","0.0221","","","0.0483","0.0491","","","","","","1.081","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328550","4.4222","0.0007","18.658","0.003","6.8905","0.001","90","","90","","90","","568.53","0.15","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge3 Li2 Nd2 -","- Ge3 Li2 Nd2 -","- Ge12 Li8 Nd8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0219","0.02","","","0.0472","0.0483","","","","","","1.113","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328551","4.4118","0.0016","6.8","0.002","14.649","0.005","90","","90","","90","","439.5","0.3","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge4 Li4 Nd3 -","- Ge4 Li4 Nd3 -","- Ge8 Li8 Nd6 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0242","0.0223","","","0.0526","0.0537","","","","","","1.013","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328552","4.4432","0.001","18.723","0.004","6.9113","0.0016","90","","90","","90","","575","0.2","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge3 Li2 Pr2 -","- Ge3 Li2 Pr2 -","- Ge12 Li8 Pr8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0378","0.0265","","","0.0511","0.0554","","","","","","1.057","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328553","4.442","0.003","6.844","0.004","14.737","0.007","90","","90","","90","","448","0.5","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge4 Li4 Pr3 -","- Ge4 Li4 Pr3 -","- Ge8 Li8 Pr6 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0188","0.0176","","","0.0376","0.038","","","","","","1.08","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328554","4.372","0.0005","18.494","0.002","6.8403","0.0007","90","","90","","90","","553.08","0.1","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge3 Li2 Sm2 -","- Ge3 Li2 Sm2 -","- Ge12 Li8 Sm8 -","4","0.25","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.0238","0.0191","","","0.0453","0.0484","","","","","","1.071","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328555","4.3674","0.0005","6.7721","0.0008","14.5129","0.0017","90","","90","","90","","429.24","0.09","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge4 Li4 Sm3 -","- Ge4 Li4 Sm3 -","- Ge8 Li8 Sm6 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Svilen Bobev","Closely Related Rare-Earth Metal Germanides RE2Li2Ge3andRE3Li4Ge4 (RE = La-Nd, Sm): Synthesis, Crystal Chemistry, and Magnetic Properties","Inorganic Chemistry","2012","51","","3119","3129","10.1021/ic202591j","","","0.71073","MoKα","","0.024","0.0213","","","0.0475","0.0485","","","","","","1.177","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328556","11.3999","0.0017","13.8208","0.0019","25.309","0.004","90","","99.904","0.002","90","","3928.2","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.66 H31.16 Cl0.48 F12 Mn N2 O6 -","- C36.66 H31.16 Cl0.48 F12 Mn N2 O6 -","- C146.64 H124.64 Cl1.92 F48 Mn4 N8 O24 -","4","1","","Maria G. F. Vaz; Rafael A. Allão; Handan Akpinar; John A. Schlueter; Sauli Santos; Paul M. Lahti; Miguel A. Novak","Magnetic Mn and Co Complexes with a Large Polycyclic Aromatic Substituted Nitronylnitroxide","Inorganic Chemistry","2012","51","","3138","3145","10.1021/ic202623p","","x-ray","0.41328","synchrotron","","0.127","0.1009","","","0.2339","0.2458","","","","","","1.942","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328557","24.2086","0.0005","11.2969","0.0003","22.9083","0.0005","90","","120.411","0.002","90","","5403","0.2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","MV1B","","","- C56 H44 F12 Mn N4 O8 -","- C56 H44 F12 Mn N4 O8 -","- C224 H176 F48 Mn4 N16 O32 -","4","0.5","","Maria G. F. Vaz; Rafael A. Allão; Handan Akpinar; John A. Schlueter; Sauli Santos; Paul M. Lahti; Miguel A. Novak","Magnetic Mn and Co Complexes with a Large Polycyclic Aromatic Substituted Nitronylnitroxide","Inorganic Chemistry","2012","51","","3138","3145","10.1021/ic202623p","","x-ray","0.71073","MoKα","","0.0513","0.0405","","","0.106","0.1177","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328558","24.193","0.006","11.288","0.003","22.682","0.008","90","","121.781","0.012","90","","5266","3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Co F12 N4 O8 -","- C56 H44 Co F12 N4 O8 -","- C224 H176 Co4 F48 N16 O32 -","4","0.5","","Maria G. F. Vaz; Rafael A. Allão; Handan Akpinar; John A. Schlueter; Sauli Santos; Paul M. Lahti; Miguel A. Novak","Magnetic Mn and Co Complexes with a Large Polycyclic Aromatic Substituted Nitronylnitroxide","Inorganic Chemistry","2012","51","","3138","3145","10.1021/ic202623p","","x-ray","0.71073","MoKα","","0.2579","0.1085","","","0.2603","0.3077","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328559","9.8786","0.0002","16.816","0.0003","20.8803","0.0003","98.642","0.001","102.633","0.001","105.015","0.001","3189.31","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Cd2 I6 N4 O10 -","- C54 H60 Cd2 I6 N4 O10 -","- C108 H120 Cd4 I12 N8 O20 -","2","1","","Isurika R. Fernando; Gellert Mezei","Blue-Colored, Linear Rigid-Axle [2]Pseudorotaxanes: Metal-Binding Properties, Crystal Structures, and Blue/Red Dichroism","Inorganic Chemistry","2012","51","","3156","3160","10.1021/ic2026329","","","0.71073","MoKα","","0.2182","0.073","","","0.1363","0.1776","","","","","","0.985","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328560","9.7025","0.0002","11.5838","0.0003","12.6269","0.0003","98.55","0.001","103.965","0.001","101.351","0.001","1321.26","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Cl6 Hg2 N4 O8 -","- C52 H52 Cl6 Hg2 N4 O8 -","- C52 H52 Cl6 Hg2 N4 O8 -","1","0.5","","Isurika R. Fernando; Gellert Mezei","Blue-Colored, Linear Rigid-Axle [2]Pseudorotaxanes: Metal-Binding Properties, Crystal Structures, and Blue/Red Dichroism","Inorganic Chemistry","2012","51","","3156","3160","10.1021/ic2026329","","","0.71073","MoKα","","0.0626","0.0426","","","0.0986","0.1083","","","","","","1.038","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328561","11.5238","0.0004","13.9373","0.0004","20.2886","0.0007","86.472","0.002","88.951","0.002","76.119","0.002","3157.39","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C117 H137 Cd2 Cl3 I8 N8 O24 -","- C117 H137 Cd2 Cl3 I8 N8 O24 -","- C117 H137 Cd2 Cl3 I8 N8 O24 -","1","0.5","","Isurika R. Fernando; Gellert Mezei","Blue-Colored, Linear Rigid-Axle [2]Pseudorotaxanes: Metal-Binding Properties, Crystal Structures, and Blue/Red Dichroism","Inorganic Chemistry","2012","51","","3156","3160","10.1021/ic2026329","","","0.71073","MoKα","","0.1849","0.0859","","","0.2105","0.28","","","","","","0.822","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328562","10.8869","0.0001","14.7822","0.0001","15.3243","0.0001","112.373","0.001","100.917","0.001","103.572","0.001","2107.6","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H84 Cl12 Hg4 N8 O12 -","- C78 H76 Cl12 Hg4 N8 O12 -","- C78 H76 Cl12 Hg4 N8 O12 -","1","0.5","","Isurika R. Fernando; Gellert Mezei","Blue-Colored, Linear Rigid-Axle [2]Pseudorotaxanes: Metal-Binding Properties, Crystal Structures, and Blue/Red Dichroism","Inorganic Chemistry","2012","51","","3156","3160","10.1021/ic2026329","","","0.71073","MoKα","","0.091","0.0432","","","0.0655","0.0776","","","","","","1.022","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328563","7.0844","0.0003","12.0678","0.0005","21.1691","0.0008","90","","94.982","0.004","90","","1802.98","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Au N6 P -","- C18 H20 Au N6 P -","- C72 H80 Au4 N24 P4 -","4","1","","Maria Serratrice; Maria A. Cinellu; Laura Maiore; Maria Pilo; Antonio Zucca; Chiara Gabbiani; Annalisa Guerri; Ida Landini; Stefania Nobili; Enrico Mini; Luigi Messori","Synthesis, Structural Characterization, Solution Behavior, and in Vitro Antiproliferative Properties of a Series of Gold Complexes with 2-(2'-Pyridyl)benzimidazole as Ligand: Comparisons of Gold(III) versus Gold(I) and Mononuclear versus Binuclear Derivatives","Inorganic Chemistry","2012","51","","3161","3171","10.1021/ic202639t","","","0.71069","MoKα","","0.0999","0.0616","","","0.1781","0.1858","","","","","","1.086","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328564","9.923","0.0012","17.8502","0.0018","8.5309","0.0011","90","","98.92","0.012","90","","1492.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Au2 Cl3 N3 -","- C12 H8 Au2 Cl3 N3 -","- C48 H32 Au8 Cl12 N12 -","4","1","","Maria Serratrice; Maria A. Cinellu; Laura Maiore; Maria Pilo; Antonio Zucca; Chiara Gabbiani; Annalisa Guerri; Ida Landini; Stefania Nobili; Enrico Mini; Luigi Messori","Synthesis, Structural Characterization, Solution Behavior, and in Vitro Antiproliferative Properties of a Series of Gold Complexes with 2-(2'-Pyridyl)benzimidazole as Ligand: Comparisons of Gold(III) versus Gold(I) and Mononuclear versus Binuclear Derivatives","Inorganic Chemistry","2012","51","","3161","3171","10.1021/ic202639t","","","0.71073","MoKα","","0.2453","0.1101","","","0.1974","0.2287","","","","","","0.872","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328565","12.9029","0.0004","13.2996","0.0005","17.0278","0.0004","73.756","0.003","77.057","0.002","64.136","0.003","2506.73","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Au2 F6 N3 P3 -","- C48 H38 Au2 F6 N3 P3 -","- C96 H76 Au4 F12 N6 P6 -","2","1","","Maria Serratrice; Maria A. Cinellu; Laura Maiore; Maria Pilo; Antonio Zucca; Chiara Gabbiani; Annalisa Guerri; Ida Landini; Stefania Nobili; Enrico Mini; Luigi Messori","Synthesis, Structural Characterization, Solution Behavior, and in Vitro Antiproliferative Properties of a Series of Gold Complexes with 2-(2'-Pyridyl)benzimidazole as Ligand: Comparisons of Gold(III) versus Gold(I) and Mononuclear versus Binuclear Derivatives","Inorganic Chemistry","2012","51","","3161","3171","10.1021/ic202639t","","","0.71073","MoKα","","0.089","0.0392","","","0.1072","0.1131","","","","","","0.935","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328566","12.5628","0.0003","18.4647","0.0005","12.3963","0.0003","90","","90","","90","","2875.55","0.12","120","2","120","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C32 H52 Ir4 -","- C32 H52 Ir4 -","- C128 H208 Ir16 -","4","0.5","","Kuang-Hway Yih; Isil K. Hamdemir; Joseph E. Mondloch; Ercan Bayram; Saim Özkar; Relja Vasić; Anatoly I. Frenkel; Oren P. Anderson; Richard G. Finke","Synthesis and Characterization of [Ir(1,5-Cyclooctadiene)(μ-H)]4: A Tetrametallic Ir4H4- Core, Coordinatively Unsaturated Cluster","Inorganic Chemistry","2012","51","","3186","3193","10.1021/ic2026494","","","0.71073","MoKα","","0.0183","0.0151","","","0.0312","0.0319","","","","","","1.111","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328567","10.341","0.002","11.392","0.002","14.585","0.003","70.389","0.003","81.988","0.003","80.301","0.003","1589","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H100 Cr N2 -","- C72 H100 Cr N2 -","- C72 H100 Cr N2 -","1","0.5","","Jessica N. Boynton; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power","Two-Coordinate, Quasi-Two-Coordinate, and Distorted Three Coordinate, T-Shaped Chromium(II) Amido Complexes: Unusual Effects of Coordination Geometry on the Lowering of Ground State Magnetic Moments","Inorganic Chemistry","2012","51","","3212","3219","10.1021/ic202661n","","","0.71073","MoKα","","0.0737","0.064","","","0.1829","0.1932","","","","","","1.063","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328568","10.7222","0.0003","20.3204","0.0006","11.2743","0.0004","90","","90.531","0.001","90","","2456.33","0.13","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Cr N2 -","- C60 H76 Cr N2 -","- C120 H152 Cr2 N4 -","2","0.5","","Jessica N. Boynton; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power","Two-Coordinate, Quasi-Two-Coordinate, and Distorted Three Coordinate, T-Shaped Chromium(II) Amido Complexes: Unusual Effects of Coordination Geometry on the Lowering of Ground State Magnetic Moments","Inorganic Chemistry","2012","51","","3212","3219","10.1021/ic202661n","","","0.71073","MoKα","","0.0462","0.0366","","","0.0949","0.1011","","","","","","1.028","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328569","10.5197","0.0015","16.081","0.002","25.496","0.004","90","","90.413","0.002","90","","4313","1.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Cr N2 O -","- C52 H60 Cr N2 O -","- C208 H240 Cr4 N8 O4 -","4","1","","Jessica N. Boynton; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power","Two-Coordinate, Quasi-Two-Coordinate, and Distorted Three Coordinate, T-Shaped Chromium(II) Amido Complexes: Unusual Effects of Coordination Geometry on the Lowering of Ground State Magnetic Moments","Inorganic Chemistry","2012","51","","3212","3219","10.1021/ic202661n","","","0.71073","MoKα","","0.0569","0.0448","","","0.1042","0.1091","","","","","","1.05","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328570","13.1525","0.0005","17.6782","0.0008","18.5516","0.0007","77.851","0.003","82.704","0.002","86.023","0.002","4178.7","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H118 Cr2 N4 -","- C102 H118 Cr2 N4 -","- C204 H236 Cr4 N8 -","2","1","","Jessica N. Boynton; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power","Two-Coordinate, Quasi-Two-Coordinate, and Distorted Three Coordinate, T-Shaped Chromium(II) Amido Complexes: Unusual Effects of Coordination Geometry on the Lowering of Ground State Magnetic Moments","Inorganic Chemistry","2012","51","","3212","3219","10.1021/ic202661n","","","1.54178","CuKα","","0.1039","0.0935","","","0.246","0.2557","","","","","","1.031","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328571","13.294","0.005","13.984","0.006","18.332","0.008","111.146","0.004","108.17","0.004","90.953","0.005","2988","2","293.1","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H84 N2 Ni S8 Se4 -","- C48 H84 N2 Ni S8 Se4 -","- C96 H168 N4 Ni2 S16 Se8 -","2","1","","Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi","Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands","Inorganic Chemistry","2012","51","","2731","2733","10.1021/ic2026768","","","0.7107","MoKα","","","0.0701","","","","0.0729","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328572","26.157","0.008","34.091","0.011","46.102","0.015","90","","90","","90","","41110","2","293.1","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80 H132 N3 Ni2 S16 Se8 -","- C80 H132 N3 Ni2 S16 Se8 -","- C1280 H2112 N48 Ni32 S256 Se128 -","16","2","","Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi","Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands","Inorganic Chemistry","2012","51","","2731","2733","10.1021/ic2026768","","","0.7107","MoKα","","","0.0621","","","","0.0755","","","","","","1.214","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328573","26.238","0.004","34.202","0.005","46.196","0.007","90","","90","","90","","41456","11","293.1","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80 H132 N3 Ni2 S16 Se8 -","- C80 H132 N3 Ni2 S16 Se8 -","- C1280 H2112 N48 Ni32 S256 Se128 -","16","2","","Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi","Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands","Inorganic Chemistry","2012","51","","2731","2733","10.1021/ic2026768","","","0.7107","MoKα","","","0.0829","","","","0.0705","","","","","","1.254","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328574","26.25","0.008","34.15","0.02","46.16","0.008","90","","90","","90","","41380","3","293.1","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80 H132 N3 Ni2 S16 Se8 -","- C80 H132 N3 Ni2 S16 Se8 -","- C1280 H2112 N48 Ni32 S256 Se128 -","16","2","","Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi","Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands","Inorganic Chemistry","2012","51","","2731","2733","10.1021/ic2026768","","","0.7107","MoKα","","","0.0909","","","","0.0776","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328575","8.6884","0.0003","19.6036","0.0008","26.6969","0.0011","110.559","0.002","90.664","0.003","92.651","0.003","4251.1","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 N Ni S8 Se4 -","- C32 H48 N Ni S8 Se4 -","- C128 H192 N4 Ni4 S32 Se16 -","4","2","","Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi","Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands","Inorganic Chemistry","2012","51","","2731","2733","10.1021/ic2026768","","","0.7107","MoKα","","","0.0461","","","","0.1138","","","","","","0.872","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328576","7.8061","0.0007","7.1101","0.0006","11.0967","0.0009","90","","91.159","0.001","90","","615.76","0.09","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Trisodium dioxoneptunium(V) bis(selenate) dihydrate","","","- H4 Na3 Np O12 Se2 -","- H4 Na3.01 Np O12 Se2 -","- H8 Na6.02 Np2 O24 Se4 -","2","0.5","","Geng Bang Jin; S. Skanthakumar; L. Soderholm","Three New Sodium Neptunyl(V) Selenate Hydrates: Structures, Raman Spectroscopy, and Magnetism","Inorganic Chemistry","2012","51","","3220","3230","10.1021/ic202703j","","","0.71073","MoKα","","0.0287","0.0282","","","0.0696","0.0698","","","","","","1.249","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328577","18.661","0.003","5.6987","0.0008","24.167","0.003","90","","102.999","0.002","90","","2504.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sodium dioxoneptunium(V) selenate hydrate","","","- H2 Na Np O7 Se -","- H2 Na Np O7 Se -","- H32 Na16 Np16 O112 Se16 -","16","2","","Geng Bang Jin; S. Skanthakumar; L. Soderholm","Three New Sodium Neptunyl(V) Selenate Hydrates: Structures, Raman Spectroscopy, and Magnetism","Inorganic Chemistry","2012","51","","3220","3230","10.1021/ic202703j","","","0.71073","MoKα","","0.0416","0.0304","","","0.0656","0.0695","","","","","","1.016","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328578","6.9742","0.0012","7.9833","0.0014","9.6904","0.0017","90.113","0.003","95.914","0.003","112.149","0.002","496.57","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Trisodium dioxoneptunium(V) bis(selenate) hydrate","","","- H2 Na3 Np O11 Se2 -","- H2 Na3 Np O11 Se2 -","- H4 Na6 Np2 O22 Se4 -","2","1","","Geng Bang Jin; S. Skanthakumar; L. Soderholm","Three New Sodium Neptunyl(V) Selenate Hydrates: Structures, Raman Spectroscopy, and Magnetism","Inorganic Chemistry","2012","51","","3220","3230","10.1021/ic202703j","","","0.71073","MoKα","","0.0374","0.0288","","","0.0571","0.0596","","","","","","1.025","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328579","11.1544","0.0011","16.055","0.0015","16.039","0.0014","90","","95.99","0.003","90","","2856.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 Cl2 P3 Ru -","- C26 H49 Cl2 P3 Ru -","- C104 H196 Cl8 P12 Ru4 -","4","1","","Ryan Gilbert-Wilson; Leslie D. Field; Mohan M. Bhadbhade","New Superhindered Polydentate Polyphosphine Ligands P(CH2CH2PtBu2)3, PhP(CH2CH2PtBu2)2, P(CH2CH2CH2PtBu2)3, and their Ruthenium(II) Chloride Complexes","Inorganic Chemistry","2012","51","","3239","3246","10.1021/ic2027169","","","0.71073","MoKα","","0.0753","0.0393","","","0.0577","0.0657","","","","","","1.072","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328580","12.462","0.002","14.307","0.003","21.914","0.004","90","","90","","90","","3907.1","1.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H72 Cl2 P4 Ru -","- C33 H72 Cl2 P4 Ru -","- C132 H288 Cl8 P16 Ru4 -","4","1","","Ryan Gilbert-Wilson; Leslie D. Field; Mohan M. Bhadbhade","New Superhindered Polydentate Polyphosphine Ligands P(CH2CH2PtBu2)3, PhP(CH2CH2PtBu2)2, P(CH2CH2CH2PtBu2)3, and their Ruthenium(II) Chloride Complexes","Inorganic Chemistry","2012","51","","3239","3246","10.1021/ic2027169","","","0.71073","MoKα","","0.1939","0.084","","","0.1695","0.2326","","","","","","0.908","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328581","15.855","0.003","6.835","0.001","16.605","0.004","90","","95.557","0.002","90","","1791","0.6","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-diphenyl-1,4-di(pyrrol-2-yl)-but-2-yn","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Elżbieta Nojman; Anna Berlicka; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Nickel(II) and Palladium(II) Thiaethyneporphyrins. Intramolecular Metal(II)-η2-CC Interaction inside a Porphyrinoid Frame","Inorganic Chemistry","2012","51","","3247","3260","10.1021/ic2027175","","","0.71073","MoKα","","0.0653","0.0374","","","0.0782","0.0822","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328582","13.78","0.0003","8.244","0.0002","28.063","0.0005","90","","95.155","0.002","90","","3175.13","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,18-diphenyl-8,13-ditolyl-20-thiaethyneporphyrin","","- C44 H32 N2 S -","- C44 H32 N2 S -","- C176 H128 N8 S4 -","4","1","","Elżbieta Nojman; Anna Berlicka; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Nickel(II) and Palladium(II) Thiaethyneporphyrins. Intramolecular Metal(II)-η2-CC Interaction inside a Porphyrinoid Frame","Inorganic Chemistry","2012","51","","3247","3260","10.1021/ic2027175","","","0.71073","MoKα","","0.1462","0.0642","","","0.119","0.1303","","","","","","1","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328583","16.479","0.006","8.418","0.003","27.478","0.001","90","","107.995","0.003","90","","3625.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","palladium(II) 3,18-diphenyl-8,13-di-p-tolyl-20-thiaethyneporphyrin","","- C45 H31 Cl3 N2 Pd S -","- C45 H31 Cl3 N2 Pd S -","- C180 H124 Cl12 N8 Pd4 S4 -","4","1","","Elżbieta Nojman; Anna Berlicka; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Nickel(II) and Palladium(II) Thiaethyneporphyrins. Intramolecular Metal(II)-η2-CC Interaction inside a Porphyrinoid Frame","Inorganic Chemistry","2012","51","","3247","3260","10.1021/ic2027175","","","0.71073","MoKα","","0.0584","0.0389","","","0.0892","0.0965","","","","","","1","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328584","8.47","0.002","24.6","0.005","16.7","0.003","90","","99.9","0.03","90","","3427.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","nickel(II) 3,18-diphenyl-8,13-di-p-tolyl-20-thiaethyneporphyrin","","- C45 H32 Cl2 N2 Ni S -","- C45 H32 Cl2 N2 Ni S -","- C180 H128 Cl8 N8 Ni4 S4 -","4","1","","Elżbieta Nojman; Anna Berlicka; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Nickel(II) and Palladium(II) Thiaethyneporphyrins. Intramolecular Metal(II)-η2-CC Interaction inside a Porphyrinoid Frame","Inorganic Chemistry","2012","51","","3247","3260","10.1021/ic2027175","","","0.71073","MoKα","","0.1345","0.0519","","","0.0625","0.0675","","","","","","0.89","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328585","25.4583","0.0009","20.7805","0.0007","13.841","0.0004","90","","120.02","0.002","90","","6340.1","0.4","150","0.2","150","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 Fe2 N8 Ru2 -","- C72 H74 Fe2 N8 Ru2 -","- C288 H296 Fe8 N32 Ru8 -","4","0.5","","William P. Forrest; Zhi Cao; Kerry M. Hassell; Boone M. Prentice; Phillip E. Fanwick; Tong Ren","Diruthenium(III,III) Bis(alkynyl) Compounds with Donor/Acceptor-Substituted geminal-Diethynylethene Ligands","Inorganic Chemistry","2012","51","","3261","3269","10.1021/ic202720c","","","1.54184","CU-Kα","","0.039","0.037","","","0.096","0.098","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328586","10.6263","0.0015","16.654","0.003","21.36","0.003","80.515","0.008","79.918","0.01","87.793","0.012","3670.7","1","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H106 N8 O Ru2 Si2 -","- C74 H106 N8 O Ru2 Si2 -","- C148 H212 N16 O2 Ru4 Si4 -","2","1","","William P. Forrest; Zhi Cao; Kerry M. Hassell; Boone M. Prentice; Phillip E. Fanwick; Tong Ren","Diruthenium(III,III) Bis(alkynyl) Compounds with Donor/Acceptor-Substituted geminal-Diethynylethene Ligands","Inorganic Chemistry","2012","51","","3261","3269","10.1021/ic202720c","","","1.54184","CU-Kα","","0.099","0.078","","","0.218","0.234","","","","","","1.124","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328587","23.219","0.004","8.0004","0.0012","29.702","0.004","90","","108.004","0.002","90","","5247.3","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(1)","","","- C36 H56 Cu5 N22 O16 -","- C34 H46 Cu5 N22 O14 -","- C136 H184 Cu20 N88 O56 -","4","0.5","","Santokh S. Tandon; Scott D. Bunge; Joaquin Sanchiz; Laurence K. Thompson","Structures and Magnetic Properties of an Antiferromagnetically Coupled Polymeric Copper(II) Complex and Ferromagnetically Coupled Hexanuclear Nickel(II) Clusters","Inorganic Chemistry","2012","51","","3270","3282","10.1021/ic202732k","","","0.71073","MoKα","","0.0332","0.0291","","","0.1007","0.1054","","","","","","0.875","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328588","18.6655","0.0008","13.5651","0.0005","17.0577","0.0007","90","","103.848","0.001","90","","4193.5","0.3","189","2","189","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2)","","","- C58 H104 N22 Ni6 O27 -","- C56 H98 N22 Ni6 O26 -","- C112 H196 N44 Ni12 O52 -","2","0.5","","Santokh S. Tandon; Scott D. Bunge; Joaquin Sanchiz; Laurence K. Thompson","Structures and Magnetic Properties of an Antiferromagnetically Coupled Polymeric Copper(II) Complex and Ferromagnetically Coupled Hexanuclear Nickel(II) Clusters","Inorganic Chemistry","2012","51","","3270","3282","10.1021/ic202732k","","","0.71073","MoKα","","0.0582","0.0426","","","0.1244","0.1358","","","","","","0.907","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328589","13.1039","0.0009","14.0634","0.001","21.9161","0.0015","84.998","0.001","88.477","0.001","64.333","0.001","3626.1","0.4","183","2","183","2","","","","","","","","5","P -1","-P 1","2","(3)","","","- C58 H85 N19 Ni6 O24 -","- C54 H74 N18 Ni6 O22 -","- C108 H148 N36 Ni12 O44 -","2","1","","Santokh S. Tandon; Scott D. Bunge; Joaquin Sanchiz; Laurence K. Thompson","Structures and Magnetic Properties of an Antiferromagnetically Coupled Polymeric Copper(II) Complex and Ferromagnetically Coupled Hexanuclear Nickel(II) Clusters","Inorganic Chemistry","2012","51","","3270","3282","10.1021/ic202732k","","","0.71073","MoKα","","0.0727","0.0546","","","0.1602","0.1712","","","","","","1.113","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328590","25.516","0.004","15.5261","0.0012","18.427","0.003","90","","123.834","0.006","90","","6063.9","1.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C98 H50 N4 Ni8 O23 S8 -","- C97.02 H50 N4 Ni8 O23.02 S8 -","- C194.04 H100 N8 Ni16 O46.04 S16 -","2","0.25","","Kecai Xiong; Feilong Jiang; Yanli Gai; Youfu Zhou; Daqiang Yuan; Kongzhao Su; Xinyi Wang; Maochun Hong","A Series of Octanuclear-Nickel(II) Complexes Supported by Thiacalix[4]arenes","Inorganic Chemistry","2012","51","","3283","3288","10.1021/ic202737h","","","0.71073","MoKα","","0.0694","0.0632","","","0.1803","0.1875","","","","","","1.072","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328591","12.492","0.003","15.554","0.004","17.59","0.005","77.173","0.007","80.819","0.007","66.372","0.007","3043.5","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H138 N8 Ni8 O20 S8 -","- C102 H138 Cl2 N8 Ni8 O20 S8 -","- C102 H138 Cl2 N8 Ni8 O20 S8 -","1","0.5","","Kecai Xiong; Feilong Jiang; Yanli Gai; Youfu Zhou; Daqiang Yuan; Kongzhao Su; Xinyi Wang; Maochun Hong","A Series of Octanuclear-Nickel(II) Complexes Supported by Thiacalix[4]arenes","Inorganic Chemistry","2012","51","","3283","3288","10.1021/ic202737h","","","0.71073","MoKα","","0.0641","0.054","","","0.1437","0.1547","","","","","","1.044","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328592","14.295","0.007","16.27","0.008","16.402","0.008","66.51","0.02","67.47","0.02","72.84","0.02","3186","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H103 N5 Ni8 O23 S8 -","- C117 H90 N5 Ni8 O23 S8 -","- C117 H90 N5 Ni8 O23 S8 -","1","0.5","","Kecai Xiong; Feilong Jiang; Yanli Gai; Youfu Zhou; Daqiang Yuan; Kongzhao Su; Xinyi Wang; Maochun Hong","A Series of Octanuclear-Nickel(II) Complexes Supported by Thiacalix[4]arenes","Inorganic Chemistry","2012","51","","3283","3288","10.1021/ic202737h","","","0.71073","MoKα","","0.1253","0.0956","","","0.2811","0.335","","","","","","1.062","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328593","14.219","0.009","15.205","0.009","16.206","0.011","69.11","0.03","65.77","0.03","71.51","0.03","2924","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H86 N4 Ni8 O21 S8 -","- C109 H86 N4 Ni8 O21 S8 -","- C109 H86 N4 Ni8 O21 S8 -","1","0.5","","Kecai Xiong; Feilong Jiang; Yanli Gai; Youfu Zhou; Daqiang Yuan; Kongzhao Su; Xinyi Wang; Maochun Hong","A Series of Octanuclear-Nickel(II) Complexes Supported by Thiacalix[4]arenes","Inorganic Chemistry","2012","51","","3283","3288","10.1021/ic202737h","","","0.71073","MoKα","","0.1239","0.083","","","0.2198","0.262","","","","","","1.061","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328594","10.18","0.004","14.653","0.005","16.585","0.013","72.9","0.012","83.494","0.012","87.647","0.006","2349","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Co Cr2 N6 O22 -","- C42 H36 Co Cr2 N6 O22 -","- C84 H72 Co2 Cr4 N12 O44 -","2","1","","Julia Vallejo; Isabel Castro; Mariadel Déniz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve; Rafael Ruiz-García; Joan Cano","Theoretical Insights into the Ferromagnetic Coupling in Oxalato-Bridged Chromium(III)-Cobalt(II) and Chromium(III)-Manganese(II) Dinuclear Complexes with Aromatic Diimine Ligands","Inorganic Chemistry","2012","51","","3289","3301","10.1021/ic202755z","","x-ray","0.71073","MoKα","","0.0952","0.0644","","","0.136","0.1516","","","","","","1.053","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328595","10.9438","0.0009","11.0838","0.0013","20.525","0.003","80.592","0.011","81.995","0.011","64.037","0.007","2201.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 Cr2 Mn N6 O19 -","- C44 H28 Cr2 Mn N6 O19 -","- C88 H56 Cr4 Mn2 N12 O38 -","2","1","","Julia Vallejo; Isabel Castro; Mariadel Déniz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve; Rafael Ruiz-García; Joan Cano","Theoretical Insights into the Ferromagnetic Coupling in Oxalato-Bridged Chromium(III)-Cobalt(II) and Chromium(III)-Manganese(II) Dinuclear Complexes with Aromatic Diimine Ligands","Inorganic Chemistry","2012","51","","3289","3301","10.1021/ic202755z","","x-ray","0.71073","MoKα","","0.0997","0.0641","","","0.1157","0.1317","","","","","","1.079","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328596","6.4809","0.0003","16.3551","0.0008","7.6041","0.0002","90","","98.525","0.001","90","","797.1","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Fe4 Ge H12 O22 P4 -","- Fe4 Ge H12 O22 P4 -","- Fe8 Ge2 H24 O44 P8 -","2","0.5","","Ya-Xi Huang; Xin Zhang; Xuan Huang; Walter Schnelle; Jun Lin; Jin-Xiao Mi; Mei-Bo Tang; Jing-Tai Zhao","Two Isotypic Transition Metal Germanophosphates <i>M</i>^II^~4~(H~2~O)~4~[Ge(OH)~2~(HPO~4~)~2~(PO~4~)~2~] (<i>M</i>^II^ = Fe, Co): Synthesis, Structure, Mössbauer Spectroscopy, and Magnetic Properties","Inorganic Chemistry","2012","51","","3316","3323","10.1021/ic202773p","","","0.71073","MoKα","","0.0251","0.0231","","","0.0577","0.0588","","","","","","1.051","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328597","6.4328","0.0005","16.2672","0.0015","7.5154","0.0006","90","","97.804","0.003","90","","779.16","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co4 Ge H12 O22 P4 -","- Co4 Ge H12 O22 P4 -","- Co8 Ge2 H24 O44 P8 -","2","0.5","","Ya-Xi Huang; Xin Zhang; Xuan Huang; Walter Schnelle; Jun Lin; Jin-Xiao Mi; Mei-Bo Tang; Jing-Tai Zhao","Two Isotypic Transition Metal Germanophosphates <i>M</i>^II^~4~(H~2~O)~4~[Ge(OH)~2~(HPO~4~)~2~(PO~4~)~2~] (<i>M</i>^II^ = Fe, Co): Synthesis, Structure, Mössbauer Spectroscopy, and Magnetic Properties","Inorganic Chemistry","2012","51","","3316","3323","10.1021/ic202773p","","","0.71073","MoKα","","0.036","0.0306","","","0.0726","0.0752","","","","","","1.209","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328598","3.8855","0.0011","3.8855","","6.1846","0.0018","90","","90","","120","","80.86","0.03","298","","298","","","","","","","","Syn","2","P -3 m 1","-P 3 2""","164","Thorium Nitride","Thorium Nitride","","- N3 Th2 -","- N3 Th2 -","- N3 Th2 -","1","0.0833333","","G. W. Chinthaka Silva; Charles B. Yeamans; Philppe F. Weck; John D. Hunn; Gary S. Cerefice; Alfred P. Sattelberger; Ken R. Czerwinski","Synthesis and Characterization of Th2N2(NH) Isomorphous to Th2N3","Inorganic Chemistry","2012","51","","3332","3340","10.1021/ic300025b","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.12032","","0.95","","","","","","","has coordinates,has Fobs","179388","2020-10-21","18:00:00",""
"4328599","12.948","0.003","16.65","0.003","17.224","0.003","63.96","0.03","81.05","0.03","68.75","0.03","3109.4","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H178 Cl10 Fe6 N6 O21 -","- C110 H170 Cl10 Fe6 N6 O21 -","- C110 H170 Cl10 Fe6 N6 O21 -","1","0.5","","John Fielden; Manfred Speldrich; Claire Besson; Paul Kögerler","Chiral Hexanuclear Ferric Wheels","Inorganic Chemistry","2012","51","","2734","2736","10.1021/ic300042q","","","0.71073","MoKα","","0.064","0.0537","","","0.1693","0.1775","","","","","","1.093","","","","has coordinates,has disorder","179388","2020-10-21","18:00:00",""
"4328600","12.7377","0.0011","23.275","0.002","16.5439","0.0015","90","","90","","90","","4904.8","0.7","183","2","183","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H39 Cl6 Ga2 N9 O2 -","- C50 H32 Cl6 Ga2 N9 O2 -","- C200 H128 Cl24 Ga8 N36 O8 -","4","0.5","","Wenchan Jiang; John D. Gorden; Christian R. Goldsmith","A Homogeneous Gallium(III) Compound Selectively Catalyzes the Epoxidation of Alkenes","Inorganic Chemistry","2012","51","","2725","2727","10.1021/ic300159a","","x-ray","0.71073","MoKα","","0.0657","0.0476","","","0.1124","0.121","","","","","","1.081","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328601","10.7214","0.0009","11.6119","0.0009","14.7576","0.0012","67.272","0.001","73.444","0.001","75.88","0.001","1605.6","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Co(NHArPr6)2_compound1","","","- C72 H100 Co N2 -","- C72 H100 Co N2 -","- C72 H100 Co N2 -","1","0.5","","Aimee M. Bryan; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power","Synthesis, Structural, and Magnetic Characterization of Linear and Bent Geometry Cobalt(II) and Nickel(II) Amido Complexes: Evidence of Very Large Spin-Orbit Coupling Effects in Rigorously Linear Coordinated Co2+","Inorganic Chemistry","2012","51","","3366","3373","10.1021/ic2012414","","","0.71073","MoKα","","0.0557","0.0509","","","0.1328","0.1356","","","","","","1.065","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328602","10.7334","0.0018","11.5751","0.0019","14.771","0.003","66.827","0.002","73.513","0.002","75.75","0.002","1598.8","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Ni(NHArPri6)2_compound2","","","- C72 H100 N2 Ni -","- C72 H100 N2 Ni -","- C72 H100 N2 Ni -","1","0.5","","Aimee M. Bryan; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power","Synthesis, Structural, and Magnetic Characterization of Linear and Bent Geometry Cobalt(II) and Nickel(II) Amido Complexes: Evidence of Very Large Spin-Orbit Coupling Effects in Rigorously Linear Coordinated Co2+","Inorganic Chemistry","2012","51","","3366","3373","10.1021/ic2012414","","","0.71073","MoKα","","0.0655","0.0451","","","0.1208","0.129","","","","","","1.067","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328603","9.6706","0.0013","11.7687","0.0016","18.198","0.003","107.353","0.002","100.442","0.002","95.132","0.002","1921.3","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Co{N(H)ArMe6}2_compound3","","","- C48 H52 Co N2 -","- C48 H52 Co N2 -","- C96 H104 Co2 N4 -","2","1","","Aimee M. Bryan; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power","Synthesis, Structural, and Magnetic Characterization of Linear and Bent Geometry Cobalt(II) and Nickel(II) Amido Complexes: Evidence of Very Large Spin-Orbit Coupling Effects in Rigorously Linear Coordinated Co2+","Inorganic Chemistry","2012","51","","3366","3373","10.1021/ic2012414","","","0.71073","MoKα","","0.0981","0.0632","","","0.1618","0.1802","","","","","","0.996","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328604","9.768","0.002","11.715","0.003","18.184","0.004","108.132","0.003","100.254","0.003","95.229","0.004","1921.9","0.8","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Ni{N(H)ArMe6}2_compound4","","","- C48 H52 N2 Ni -","- C48 H52 N2 Ni -","- C96 H104 N4 Ni2 -","2","1","","Aimee M. Bryan; W. Alexander Merrill; William M. Reiff; James C. Fettinger; Philip P. Power","Synthesis, Structural, and Magnetic Characterization of Linear and Bent Geometry Cobalt(II) and Nickel(II) Amido Complexes: Evidence of Very Large Spin-Orbit Coupling Effects in Rigorously Linear Coordinated Co2+","Inorganic Chemistry","2012","51","","3366","3373","10.1021/ic2012414","","","0.71073","MoKα","","0.0848","0.0614","","","0.1677","0.1807","","","","","","1.124","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328605","12.0362","0.0007","8.6708","0.0005","13.2467","0.0008","90","","116.435","0.001","90","","1237.92","0.13","153","2","153","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl5 Ga P -","- C4 H9 Cl5 Ga P -","- C16 H36 Cl20 Ga4 P4 -","4","1","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0454","0.0388","","","0.0993","0.1036","","","","","","1.039","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328606","23.2837","0.0005","13.216","0.0003","16.778","0.0003","90","","90","","90","","5162.88","0.19","153","2","153","1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H11 Cl5 Ga P5 -","- C6 H11 Cl5 Ga P5 -","- C72 H132 Cl60 Ga12 P60 -","12","1.5","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0535","0.0373","","","0.0657","0.0717","","","","","","0.995","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328607","14.3092","0.0009","21.7797","0.0013","9.5931","0.0006","90","","96.35","0.001","90","","2971.3","0.3","153","2","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 Cl5 Ga P5 -","- C3 H7 Cl5 Ga P5 -","- C24 H56 Cl40 Ga8 P40 -","8","2","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0394","0.0284","","","0.0643","0.0691","","","","","","1.017","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328608","12.6761","0.0006","8.988","0.0004","13.2882","0.0006","90","","112.951","0.001","90","","1394.11","0.11","153","2","153","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 Cl5 Ga P5 -","- C2 H5 Cl5 Ga P5 -","- C8 H20 Cl20 Ga4 P20 -","4","1","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0229","0.0196","","","0.0483","0.0496","","","","","","1.061","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328609","6.3462","0.0004","9.2206","0.0006","22.3949","0.0014","90","","90","","90","","1310.45","0.14","153","2","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C H3 Cl5 Ga P5 -","- C H3 Cl5 Ga P5 -","- C4 H12 Cl20 Ga4 P20 -","4","1","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0317","0.0265","","","0.0508","0.0529","","","","","","1.047","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328610","8.4378","0.0005","15.2665","0.0009","12.3411","0.0007","90","","92.307","0.001","90","","1588.44","0.16","153","2","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl5 Ga P5 -","- C6 H5 Cl5 Ga P5 -","- C24 H20 Cl20 Ga4 P20 -","4","1","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0237","0.0191","","","0.0408","0.0423","","","","","","1.013","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328611","6.8561","0.0008","8.8022","0.0011","14.1076","0.0017","90","","95.396","0.002","90","","847.6","0.18","153","2","153","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 Cl5 F5 Ga P5 -","- C6 Cl5 F5 Ga P5 -","- C12 Cl10 F10 Ga2 P10 -","2","1","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0271","0.0253","","","0.0611","0.0621","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328612","17.063","0.004","13.802","0.004","25.853","0.006","90","","95.167","0.014","90","","6064","3","299","","299","","","","","","","","Local laboratory","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H57 Cl4 N8 O7 Ru2 -","- C58 H57 Cl4 N8 O7 Ru2 -","- C232 H228 Cl16 N32 O28 Ru8 -","4","0.5","","Lianpeng Tong; Ying Wang; Lele Duan; Yunhua Xu; Xiao Cheng; Andreas Fischer; Mårten S. G. Ahlquist; Licheng Sun","Water Oxidation Catalysis: Influence of Anionic Ligands upon the Redox Properties and Catalytic Performance of Mononuclear Ruthenium Complexes","Inorganic Chemistry","2012","51","","3388","3398","10.1021/ic201348u","","","0.71073","MoKα","","0.082","0.049","","","0.115","0.131","","","","","","1.02","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328613","14.0076","0.0014","19.784","0.003","13.5054","0.0011","90","","101.369","0.007","90","","3669.3","0.7","173","","173","","","","","","","","Local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 F12 N6 P2 Ru -","- C33 H32 F12 N6 P2 Ru -","- C132 H128 F48 N24 P8 Ru4 -","4","1","","Lianpeng Tong; Ying Wang; Lele Duan; Yunhua Xu; Xiao Cheng; Andreas Fischer; Mårten S. G. Ahlquist; Licheng Sun","Water Oxidation Catalysis: Influence of Anionic Ligands upon the Redox Properties and Catalytic Performance of Mononuclear Ruthenium Complexes","Inorganic Chemistry","2012","51","","3388","3398","10.1021/ic201348u","","","0.71073","MoKα","","0.105","0.04","","","0.065","0.081","","","","","","1","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328614","7.5255","0.0002","10.0389","0.0003","15.2144","0.0004","74.64","0.002","78.914","0.002","88.88","0.002","1087.08","0.05","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Ag Gd N7 O7 -","- C17 H13 Ag Gd N7 O7 -","- C34 H26 Ag2 Gd2 N14 O14 -","2","1","","Rylee B. Thomas; Philip A. Smith; Ayesha Jaleel; Paul Vogel; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Synthesis, Structural, and Photoluminescence Studies of Gd(terpy)(H2O)(NO3)2M(CN)2 (M = Au, Ag) Complexes: Multiple Emissions from Intra- and Intermolecular Excimers and Exciplexes","Inorganic Chemistry","2012","51","","3399","3408","10.1021/ic2014495","","","0.71073","MoKα","","0.0182","0.0153","","","0.0364","0.0367","","","","","","1.014","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328615","7.5707","0.0003","10.0671","0.0004","15.126","0.0004","74.923","0.003","78.151","0.003","88.401","0.003","1089.03","0.07","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Au Gd N7 O7 -","- C17 H13 Au Gd N7 O7 -","- C34 H26 Au2 Gd2 N14 O14 -","2","1","","Rylee B. Thomas; Philip A. Smith; Ayesha Jaleel; Paul Vogel; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Synthesis, Structural, and Photoluminescence Studies of Gd(terpy)(H2O)(NO3)2M(CN)2 (M = Au, Ag) Complexes: Multiple Emissions from Intra- and Intermolecular Excimers and Exciplexes","Inorganic Chemistry","2012","51","","3399","3408","10.1021/ic2014495","","","0.71073","MoKα","","0.0276","0.024","","","0.0636","0.0647","","","","","","1.058","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328616","8.4587","0.0004","12.3461","0.0006","13.1831","0.0006","78.059","0.002","81.33","0.002","74.426","0.002","1290.86","0.11","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl Cu N3 O2.5 -","- C27 H30 Cl Cu N3 O2.5 -","- C54 H60 Cl2 Cu2 N6 O5 -","2","1","","Kaushik Ghosh; Pramod Kumar; Varun Mohan; Udai P. Singh; Sahba Kasiri; Subhrangsu S. Mandal","Nuclease Activity via Self-Activation and Anticancer Activity of a Mononuclear Copper(II) Complex: Novel Role of the Tertiary Butyl Group in the Ligand Frame","Inorganic Chemistry","2012","51","","3343","3345","10.1021/ic2016676","","","0.71073","MoKα","","0.055","0.0448","","","0.1363","0.1477","","","","","","0.957","","","","has coordinates,has disorder","264242","2021-04-16","08:52:18",""
"4328617","16.2447","0.0004","16.2447","0.0004","21.5187","0.0009","90","","90","","90","","5678.6","0.3","250","","250","","","","","","","","","6","P 41","P 4w","76","","","","- C80 H38 Cd I N6 S4 -","- C80 H38 Cd I N6 S4 -","- C320 H152 Cd4 I4 N24 S16 -","4","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}","Inorganic Chemistry","2012","51","","3420","3426","10.1021/ic201732t","","","0.7107","MoKα","","0.078","0.0482","","","0.1089","0.124","","","","","","1.016","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328618","16.096","0.0003","16.096","0.0003","21.3845","0.0006","90","","90","","90","","5540.3","0.2","90.3","0.3","90.3","0.3","","","","","","","","6","P 41","P 4w","76","","","","- C80 H38 Cd I N6 S4 -","- C80 H38 Cd I N6 S4 -","- C320 H152 Cd4 I4 N24 S16 -","4","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}","Inorganic Chemistry","2012","51","","3420","3426","10.1021/ic201732t","","","0.7107","MoKα","","0.0385","0.0358","","","0.0782","0.0796","","","","","","1.037","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328619","16.1224","0.0003","16.1224","0.0003","21.3629","0.0006","90","","90","","90","","5552.9","0.2","95","0.1","95","0.1","","","","","","","","6","P 41","P 4w","76","","","","- C80 H38 Cd I N6 S4 -","- C80 H38 Cd I N6 S4 -","- C320 H152 Cd4 I4 N24 S16 -","4","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}","Inorganic Chemistry","2012","51","","3420","3426","10.1021/ic201732t","","","0.7107","MoKα","","0.0339","0.0313","","","0.0731","0.0748","","","","","","1.021","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328620","15.9638","0.0007","16.1658","0.0007","21.4127","0.0007","90","","90","","90.424","0.004","5525.8","0.4","120","0.1","120","0.1","","","","","","","","6","P 1 1 21","P 2c","4","","","","- C160 H76 Cd2 I2 N12 S8 -","- C160 H76 Cd2 I2 N12 S8 -","- C320 H152 Cd4 I4 N24 S16 -","2","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}","Inorganic Chemistry","2012","51","","3420","3426","10.1021/ic201732t","","","0.7107","MoKα","","0.0877","0.0713","","","0.182","0.1939","","","","","","1.112","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328621","11.1819","0.0003","11.7099","0.0003","15.5443","0.0004","84.613","0.002","73.393","0.002","71.687","0.002","1851.65","0.09","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H30 N4 O Pt2 S4 -","- C43 H30 N4 O Pt2 S4 -","- C86 H60 N8 O2 Pt4 S8 -","2","1","","Violeta Sicilia; Juan Forniés; José M Casas; Antonio Martín; José A. López; Carmen Larraz; Pilar Borja; Carmen Ovejero; Daniel Tordera; Henk Bolink","Highly Luminescent Half-Lantern Cyclometalated Platinum(II) Complex: Synthesis, Structure, Luminescence Studies, and Reactivity.","Inorganic Chemistry","2012","51","","3427","3435","10.1021/ic201910t","","","0.71073","MoKα","","0.0277","0.0202","","","0.0413","0.0424","","","","","","1.022","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328622","13.3386","0.0002","17.2028","0.0003","19.0478","0.0003","91.242","0.001","95.097","0.001","98.189","0.001","4306.45","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H29 Cl7 N4 Pt2 S4 -","- C42.5 H29 Cl7 N4 Pt2 S4 -","- C170 H116 Cl28 N16 Pt8 S16 -","4","2","","Violeta Sicilia; Juan Forniés; José M Casas; Antonio Martín; José A. López; Carmen Larraz; Pilar Borja; Carmen Ovejero; Daniel Tordera; Henk Bolink","Highly Luminescent Half-Lantern Cyclometalated Platinum(II) Complex: Synthesis, Structure, Luminescence Studies, and Reactivity.","Inorganic Chemistry","2012","51","","3427","3435","10.1021/ic201910t","","","0.71073","MoKα","","0.0533","0.0369","","","0.0898","0.0932","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328623","17.1442","0.0003","14.5836","0.0002","20.094","0.0004","90","","112.661","0.002","90","","4636.14","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 Br2 Cl6 N4 Pt2 S4 -","- C43 H30 Br2 Cl6 N4 Pt2 S4 -","- C172 H120 Br8 Cl24 N16 Pt8 S16 -","4","1","","Violeta Sicilia; Juan Forniés; José M Casas; Antonio Martín; José A. López; Carmen Larraz; Pilar Borja; Carmen Ovejero; Daniel Tordera; Henk Bolink","Highly Luminescent Half-Lantern Cyclometalated Platinum(II) Complex: Synthesis, Structure, Luminescence Studies, and Reactivity.","Inorganic Chemistry","2012","51","","3427","3435","10.1021/ic201910t","","","0.71073","MoKα","","0.0533","0.0406","","","0.1064","0.1103","","","","","","1.076","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328624","17.3898","0.0002","14.911","0.0001","20.1614","0.0003","90","","113.379","0.002","90","","4798.63","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 Cl6 I2 N4 Pt2 S4 -","- C43 H30 Cl6 I2 N4 Pt2 S4 -","- C172 H120 Cl24 I8 N16 Pt8 S16 -","4","1","","Violeta Sicilia; Juan Forniés; José M Casas; Antonio Martín; José A. López; Carmen Larraz; Pilar Borja; Carmen Ovejero; Daniel Tordera; Henk Bolink","Highly Luminescent Half-Lantern Cyclometalated Platinum(II) Complex: Synthesis, Structure, Luminescence Studies, and Reactivity.","Inorganic Chemistry","2012","51","","3427","3435","10.1021/ic201910t","","","0.71073","MoKα","","0.0439","0.0383","","","0.0917","0.0935","","","","","","1.045","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328625","16.669","0.003","19.244","0.004","20.811","0.006","97.611","0.005","106.637","0.005","115.009","0.003","5544","2","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C96 H136 N16 O35 Zn7 -","- C91.5 H125.5 N14.5 O33.5 Zn7 -","- C183 H251 N29 O67 Zn14 -","2","1","","Peter D. Frischmann; S. Hessam M. Mehr; Brian O. Patrick; Francesco Lelj; Mark J. MacLachlan","Role of Entropy and Autosolvation in Dimerization and Complexation of C60 by Zn7 Metallocavitands","Inorganic Chemistry","2012","51","","3443","3453","10.1021/ic202049t","","","0.71073","MoKα","","0.1034","0.064","","","0.1667","0.1913","","","","","","1.133","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328626","13.5179","0.0012","7.6783","0.0007","23.536","0.002","90","","96.182","0.001","90","","2428.7","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cu2 N12 O8 -","- C44 H48 Cu2 N12 O8 -","- C88 H96 Cu4 N24 O16 -","2","0.5","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0348","0.0296","","","0.0731","0.0763","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328627","7.709","0.0008","15.0327","0.0015","12.5632","0.0013","90","","91.942","0.001","90","","1455.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 Cu N10 O8 -","- C26 H22 Cl2 Cu N10 O8 -","- C52 H44 Cl4 Cu2 N20 O16 -","2","0.5","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0336","0.0283","","","0.0734","0.0771","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328628","12.8536","0.0008","17.8381","0.0012","19.007","0.0012","90","","90.832","0.001","90","","4357.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 Cl8 Cu4 N26 O34 -","- C64 H62 Cl8 Cu4 N26 O34 -","- C128 H124 Cl16 Cu8 N52 O68 -","2","0.5","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0761","0.061","","","0.1888","0.1999","","","","","","1.458","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328629","8.359","0.0006","8.3744","0.0006","13.345","0.0013","98.447","0.001","92.964","0.001","114.866","0.001","831.64","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl2 Cu N16 O8 -","- C28 H24 Cl2 Cu N16 O8 -","- C28 H24 Cl2 Cu N16 O8 -","1","0.5","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0278","0.0268","","","0.069","0.0697","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328630","8.834","0.005","9.649","0.005","10.297","0.005","92.974","0.006","105.026","0.006","101.415","0.006","826","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 Cu N8 -","- C14 H12 Cl2 Cu N8 -","- C28 H24 Cl4 Cu2 N16 -","2","1","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0574","0.0443","","","0.1068","0.1143","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328631","8.8637","0.0005","12.7775","0.0007","21.2307","0.0012","90","","90","","90","","2404.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Cu N9 O6 -","- C23 H19 Cu N9 O6 -","- C92 H76 Cu4 N36 O24 -","4","1","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0496","0.0393","","","0.0792","0.0846","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328632","8.1689","0.001","12.2599","0.0015","13.3365","0.0017","66.806","0.001","80.069","0.001","72.029","0.001","1165.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Cl2 Cu N18 O10 -","- C42 H38 Cl2 Cu N18 O10 -","- C42 H38 Cl2 Cu N18 O10 -","1","0.5","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0464","0.0354","","","0.0768","0.082","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328633","10.2691","0.0007","12.8215","0.0009","16.9733","0.0011","69.908","0.001","81.982","0.001","83.833","0.001","2074","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H51 Cu2 N9 O19 -","- C29 H51 Cu2 N9 O19 -","- C58 H102 Cu4 N18 O38 -","2","1","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0546","0.0375","","","0.0825","0.0903","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328634","7.6242","0.0008","15.0748","0.0015","12.7208","0.0013","90","","90.676","0.002","90","","1461.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 Cu N8 O8 -","- C28 H24 Cl2 Cu N8 O8 -","- C56 H48 Cl4 Cu2 N16 O16 -","2","0.5","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0515","0.0367","","","0.0878","0.0958","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328635","17.428","0.004","20.418","0.004","18.156","0.004","90","","90","","90","","6461","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H30 Cl2 Cu2 P2 -","- C36 H30 Cl2 Cu2 P2 -","- C288 H240 Cl16 Cu16 P16 -","8","1","","Rathinasabapathi Prabhakaran; Palaniappan Kalaivani; Somanur V. Renukadevi; Rui Huang; Kittusamy Senthilkumar; Ramasamy Karvembu; Karuppannan Natarajan","Copper Ion Mediated Selective Cleavage of C-S Bond in Ferrocenylthiosemicarbazone Forming Mixed Geometrical [(PPh3)Cu(μ-S)2Cu(PPh3)2] Having Cu2S2Core: Toward a New Avenue in Copper-Sulfur Chemistry","Inorganic Chemistry","2012","51","","3525","3532","10.1021/ic2022616","","","0.71073","MoKα","","0.035","0.0237","","","0.0839","0.0959","","","","","","0.762","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328636","5.9522","0.0008","13.3808","0.0017","7.9745","0.001","90","","110.252","0.002","90","","595.87","0.13","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","aqua(N-benzyl-aspartate)cobalt(II)","","- C11 H13 Co N O5 -","- C11 H11 Co N O5 -","- C22 H22 Co2 N2 O10 -","2","1","","Junghwan Do; Yumi Lee; Jaeun Kang; Yong Sun Park; Bernd Lorenz; Allan J. Jacobson","[M(rac-N-benzyl Asp)(H2O)] (M = Co, Ni): Noncentrosymmetric Coordination Polymeric Chains with Racemic Chiral Ligands","Inorganic Chemistry","2012","51","","3533","3539","10.1021/ic202302x","","","0.71073","MoKα","","0.0361","0.0349","","","0.0925","0.0935","","","","","","1.06","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328637","5.9343","0.0004","13.2243","0.001","7.9584","0.0006","90","","110.41","0.001","90","","585.34","0.07","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","aqua(N-benzyl-aspartate)nickel(II)","","- C11 H13 N Ni O5 -","- C11 H11 N Ni O5 -","- C22 H22 N2 Ni2 O10 -","2","1","","Junghwan Do; Yumi Lee; Jaeun Kang; Yong Sun Park; Bernd Lorenz; Allan J. Jacobson","[M(rac-N-benzyl Asp)(H2O)] (M = Co, Ni): Noncentrosymmetric Coordination Polymeric Chains with Racemic Chiral Ligands","Inorganic Chemistry","2012","51","","3533","3539","10.1021/ic202302x","","","0.71073","MoKα","","0.0303","0.029","","","0.0774","0.0781","","","","","","1.107","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328638","8.238","0.002","6.0097","0.0015","30.584","0.008","90","","92.298","0.004","90","","1512.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","triaqua(N-benzyl-aspartate)nickel(II) monohydrate","","- C11 H20 N Ni O8 -","- C11 H11 N Ni O8 -","- C44 H44 N4 Ni4 O32 -","4","1","","Junghwan Do; Yumi Lee; Jaeun Kang; Yong Sun Park; Bernd Lorenz; Allan J. Jacobson","[M(rac-N-benzyl Asp)(H2O)] (M = Co, Ni): Noncentrosymmetric Coordination Polymeric Chains with Racemic Chiral Ligands","Inorganic Chemistry","2012","51","","3533","3539","10.1021/ic202302x","","","0.71073","MoKα","","0.1195","0.0489","","","0.1105","0.1339","","","","","","0.861","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328639","7.079","0.0013","10.7346","0.0019","11.415","0.002","89.405","0.004","85.886","0.003","77.797","0.003","845.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Co N10 O16 -","- C26 H36 Co N10 O16 -","- C26 H36 Co N10 O16 -","1","0.5","","Prankrishna Manna; Saikat Kumar Seth; Amrita Das; Joanna Hemming; Richard Prendergast; Madeleine Helliwell; Somnath Ray Choudhury; Antonio Frontera; Subrata Mukhopadhyay","Anion Induced Formation of Supramolecular Associations Involving Lone pair-π and Anion-π Interactions in Co(II) Malonate Complexes: Experimental Observations, Hirshfeld Surface Analyses and DFT Studies","Inorganic Chemistry","2012","51","","3557","3571","10.1021/ic202317f","","","0.71073","MoKα","","0.0354","0.0311","","","0.0765","0.0792","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328640","7.1122","0.0007","11.2696","0.001","11.7951","0.0011","86.908","0.002","84.168","0.002","72.44","0.002","896.41","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 Co N8 O18 -","- C26 H36 Cl2 Co N8 O18 -","- C26 H36 Cl2 Co N8 O18 -","1","0.5","","Prankrishna Manna; Saikat Kumar Seth; Amrita Das; Joanna Hemming; Richard Prendergast; Madeleine Helliwell; Somnath Ray Choudhury; Antonio Frontera; Subrata Mukhopadhyay","Anion Induced Formation of Supramolecular Associations Involving Lone pair-π and Anion-π Interactions in Co(II) Malonate Complexes: Experimental Observations, Hirshfeld Surface Analyses and DFT Studies","Inorganic Chemistry","2012","51","","3557","3571","10.1021/ic202317f","","","0.71073","MoKα","","0.0363","0.0309","","","0.0787","0.0808","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328641","7.1433","0.0005","11.7421","0.0009","11.8894","0.0009","84.313","0.001","84.263","0.001","72.319","0.001","942.9","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H36 Co F12 N8 O10 P2 -","- C26 H36 Co F12 N8 O10 P2 -","- C26 H36 Co F12 N8 O10 P2 -","1","0.5","","Prankrishna Manna; Saikat Kumar Seth; Amrita Das; Joanna Hemming; Richard Prendergast; Madeleine Helliwell; Somnath Ray Choudhury; Antonio Frontera; Subrata Mukhopadhyay","Anion Induced Formation of Supramolecular Associations Involving Lone pair-π and Anion-π Interactions in Co(II) Malonate Complexes: Experimental Observations, Hirshfeld Surface Analyses and DFT Studies","Inorganic Chemistry","2012","51","","3557","3571","10.1021/ic202317f","","","0.71073","MoKα","","0.0336","0.0313","","","0.0837","0.0855","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328642","15.62209","","15.62209","","15.62209","","90","","90","","90","","3812.57","","293","","293","","","","101.325","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- N2 O4 Si2 Sr3 -","- N2 O4 Si2 Sr3 -","- N48 O96 Si48 Sr72 -","24","1","","Xiao-Ming Wang; Chun-Hai Wang; Xiao-Jun Kuang; Ru-Qiang Zou; Ying-Xia Wang; Xi-Ping Jing","Promising Oxonitridosilicate Phosphor Host Sr3Si2O4N2: Synthesis, Structure, and Luminescence Properties Activated by Eu2+ and Ce3+/Li+ for pc-LEDs","Inorganic Chemistry","2012","51","","3540","3547","10.1021/ic202340q","powder diffraction","neutron","0.71073","*neutron","","0.0085","","","","","","0.0172","0.0203","1.18","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328643","17.978","0.003","4.0073","0.0006","16.997","0.003","90","","104.427","0.002","90","","1185.9","0.3","273","2","273","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Au2 Ho7 Te2 -","- Au2 Ho7 Te2 -","- Au8 Ho28 Te8 -","4","0.5","","Ping Chai; John D. Corbett","Gold Derivatives of Eight Rare-Earth-Metal-Rich Tellurides: Monoclinic R7Au2Te2 and Orthorhombic R6AuTe2 Types","Inorganic Chemistry","2012","51","","3548","3556","10.1021/ic202342v","","","0.71073","MoKα","","0.0514","0.0368","","","0.0719","0.0775","","","","","","1.027","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328644","20.11","0.002","3.8869","0.0005","10.7053","0.0013","90","","90","","90","","836.79","0.17","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au0.85 Sc6 Te2 -","- Au0.856 Sc6 Te2 -","- Au3.424 Sc24 Te8 -","4","0.5","","Ping Chai; John D. Corbett","Gold Derivatives of Eight Rare-Earth-Metal-Rich Tellurides: Monoclinic R7Au2Te2 and Orthorhombic R6AuTe2 Types R7Au2Te2and Orthorhombic R6AuTe2Types","Inorganic Chemistry","2012","51","","3548","3556","10.1021/ic202342v","","","0.71073","MoKα","","0.0427","0.0328","","","0.064","0.0681","","","","","","1.125","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328645","20.191","0.004","3.9199","0.0007","10.7452","0.0013","90","","90","","90","","850.4","0.2","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au0.89 Sc6 Te2 -","- Au0.892 Sc6 Te2 -","- Au3.568 Sc24 Te8 -","4","0.5","","Ping Chai; John D. Corbett","Gold Derivatives of Eight Rare-Earth-Metal-Rich Tellurides: Monoclinic R7Au2Te2 and Orthorhombic R6AuTe2 Types","Inorganic Chemistry","2012","51","","3548","3556","10.1021/ic202342v","","","0.71073","MoKα","","0.0505","0.0345","","","0.0649","0.0709","","","","","","1.027","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328646","8.0677","0.0004","8.0677","0.0004","5.3891","0.0003","90","","90","","90","","350.76","0.03","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ge2 Mn O7 Sr2 -","- Ge2 Mn O7 Sr2 -","- Ge4 Mn2 O14 Sr4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama","Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co)","Inorganic Chemistry","2012","51","","3572","3578","10.1021/ic202386h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328647","8.28708","","8.28708","","5.31891","","90","","90","","90","","365.28","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ge2 Mn O7 Sr2 -","- Ge2 Mn O7 Sr2 -","- Ge4 Mn2 O14 Sr4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama","Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co)","Inorganic Chemistry","2012","51","","3572","3578","10.1021/ic202386h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328648","8.16939","","8.16939","","5.32529","","90","","90","","90","","355.404","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Co Ge2 O7 Sr2 -","- Co Ge2 O7 Sr2 -","- Co2 Ge4 O14 Sr4 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama","Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co)","Inorganic Chemistry","2012","51","","3572","3578","10.1021/ic202386h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328649","8.15281","","8.15281","","5.3267","","90","","90","","90","","354.057","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ge2 O7 Sr2 Zn -","- Ge2 O7 Sr2 Zn -","- Ge4 O14 Sr4 Zn2 -","2","0.25","","Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama","Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co)","Inorganic Chemistry","2012","51","","3572","3578","10.1021/ic202386h","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328650","17.1875","0.0004","12.9255","0.0003","13.732","0.0004","90","","93.548","0.002","90","","3044.81","0.13","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl2 N4 O P Ru -","- C28 H29 Cl2 N4 O P Ru -","- C112 H116 Cl8 N16 O4 P4 Ru4 -","4","1","","Alexey A. Nazarov; Julie Risse; Wee Han Ang; Frederic Schmitt; Olivier Zava; Albert Ruggi; Michael Groessl; Rosario Scopelitti; Lucienne Juillerat-Jeanneret; Christian G. Hartinger; Paul J. Dyson","Anthracene-Tethered Ruthenium(II) Arene Complexes as Tools To Visualize the Cellular Localization of Putative Organometallic Anticancer Compounds","Inorganic Chemistry","2012","51","","3633","3639","10.1021/ic202530j","","","0.71073","MoKα","","0.0512","0.038","","","0.1062","0.1122","","","","","","1.068","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328651","8.6985","0.0005","9.8922","0.0007","13.7471","0.0009","75.538","0.006","78.294","0.005","69.645","0.006","1065.09","0.13","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H72 K2 N2 O12 P4 -","- C24 H72 K2 N2 O12 P4 -","- C24 H72 K2 N2 O12 P4 -","1","0.5","","Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand","Inorganic Chemistry","2012","51","","3640","3647","10.1021/ic202564h","","","1.5418","CuKα","","0.0552","0.0532","","","0.1393","0.1419","","","","","","1.041","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328652","13.5594","0.0005","23.8906","0.0006","21.9309","0.0006","90","","92.523","0.003","90","","7097.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H119 N4 O10 P8 Ti2 -","- C51 H119 N4 O10 P8 Ti2 -","- C204 H476 N16 O40 P32 Ti8 -","4","1","","Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand","Inorganic Chemistry","2012","51","","3640","3647","10.1021/ic202564h","","x-ray","1.5418","CuKα","","0.057","0.0452","","","0.1059","0.1087","","","","","","1.013","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328653","14.918","0.004","15.585","0.004","15.326","0.004","90","","101.077","0.003","90","","3496.9","1.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 N2 O6 P4 Ti -","- C24 H56 N2 O6 P4 Ti -","- C96 H224 N8 O24 P16 Ti4 -","4","0.5","","Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand","Inorganic Chemistry","2012","51","","3640","3647","10.1021/ic202564h","","","0.71073","MoKα","","0.0546","0.0443","","","0.1171","0.1237","","","","","","1.044","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328654","13.6095","0.0014","24.495","0.003","21.535","0.002","90","","91.149","0.002","90","","7177.6","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H117 N4 O12.5 P8 Zr2 -","- C50 H117 N4 O12.5 P8 Zr2 -","- C200 H468 N16 O50 P32 Zr8 -","4","1","","Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand","Inorganic Chemistry","2012","51","","3640","3647","10.1021/ic202564h","","","0.71073","MoKα","","0.0867","0.0498","","","0.1132","0.1243","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328655","15.197","0.008","13.107","0.007","18.862","0.01","90","","112.255","0.006","90","","3477","3","100","","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C48 H112 Ce2 N4 O12 P8 -","- C48 H112 Ce2 N4 O12 P8 -","- C96 H224 Ce4 N8 O24 P16 -","2","0.5","","Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand","Inorganic Chemistry","2012","51","","3640","3647","10.1021/ic202564h","","","0.71073","MoKα","","0.0535","0.0441","","","0.1146","0.1192","","","","","","1.034","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328656","13.02","0.0001","13.0871","0.0001","30.0224","0.0003","90","","92.661","0.001","90","","5110.12","0.08","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 Ce Cl N3 O6 P6 -","- C36 H84 Ce Cl N3 O6 P6 -","- C144 H336 Ce4 Cl4 N12 O24 P24 -","4","1","","Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand","Inorganic Chemistry","2012","51","","3640","3647","10.1021/ic202564h","","x-ray","1.5418","CuKα","","0.0428","0.038","","","0.0976","0.1011","","","","","","1.038","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328657","15.1318","0.0001","13.7829","0.0001","34.7835","0.0003","90","","96.223","0.001","90","","7211.7","0.1","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H112 Ce2 Cl2 N4 O9 P8 -","- C48 H112 Ce2 Cl2 N4 O9 P8 -","- C192 H448 Ce8 Cl8 N16 O36 P32 -","4","1","","Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand","Inorganic Chemistry","2012","51","","3640","3647","10.1021/ic202564h","","x-ray","1.54184","CuKα","","0.0364","0.033","","","0.0826","0.0836","","","","","","1.025","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328658","5.4342","0.0001","5.4342","0.0001","10.8496","0.0002","90","","90","","90","","320.394","0.01","293","","293","","","","","","","","","4","I -4","I -4","82","","","","- Cu2 S4 Sn Zn -","- Cu2 S4 Sn Zn -","- Cu4 S8 Sn2 Zn2 -","2","0.25","","L. Choubrac; A. Lafond; C. Guillot-Deudon; Y. Moëlo; S. Jobic","Structure Flexibility of the Cu2ZnSnS4 Absorber in Low-Cost Photovoltaic Cells: From the Stoichiometric to the Copper-Poor Compounds","Inorganic Chemistry","2012","51","","3346","3348","10.1021/ic202569q","","","0.71069","MoKα","","0.0342","0.0336","","","0.0807","0.0809","","","","1.54","1.54","1.53","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4328659","5.4344","0.0001","5.4344","0.0001","10.8337","0.0002","90","","90","","90","","319.948","0.01","293","","293","","","","","","","","","4","I -4","I -4","82","","","","- Cu1.885 S4 Sn Zn1.058 -","- Cu1.884 S4 Sn Zn1.058 -","- Cu3.768 S8 Sn2 Zn2.116 -","2","0.25","","L. Choubrac; A. Lafond; C. Guillot-Deudon; Y. Moëlo; S. Jobic","Structure Flexibility of the Cu2ZnSnS4 Absorber in Low-Cost Photovoltaic Cells: From the Stoichiometric to the Copper-Poor Compounds","Inorganic Chemistry","2012","51","","3346","3348","10.1021/ic202569q","","","0.71069","MoKα","","0.0312","0.0284","","","0.0734","0.0762","","","","1.14","1.14","1.16","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4328660","10.8256","0.0002","13.4721","0.0003","16.4802","0.0003","90","","90","","90","","2403.53","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 B N7 S3 -","- C21 H24 B N7 S3 -","- C84 H96 B4 N28 S12 -","4","1","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","1.54178","CuKα","","0.0448","0.0394","","","0.0968","0.1019","","","","","","1.038","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328661","16.102","0.0004","25.712","0.0007","27.9161","0.0009","90","","105.768","0.001","90","","11122.8","0.5","100","2","100","2","","","","","","","Nicola L Bell","7","I 1 2/a 1","-I 2ya","15","","","","- C56.5 H75 B2 N7 O3.5 Ru S4 -","- C47 H49 B2 N7 Ru S4 -","- C376 H392 B16 N56 Ru8 S32 -","8","1","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","0.71073","MoKα","","0.0623","0.042","","","0.0908","0.0959","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328662","16.72141","0.00012","12.89427","0.00008","20.16553","0.00014","90","","95.5773","0.0007","90","","4327.31","0.05","100","2","100","","","","","","","","Nicola Bell","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B F12 N9 P2 Ru S3 -","- C26 H38 B F12 N8 P2 Ru S3 -","- C104 H152 B4 F48 N32 P8 Ru4 S12 -","4","1","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","0.7107","MoKα","","0.0509","0.042","","","0.1056","0.1106","","","","","","1.049","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328663","17.0566","0.0003","13.0618","0.0002","19.9834","0.0003","90","","91.993","0.001","90","","4449.41","0.12","100","2","100","2","","","","","","","Nicola Bell","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H91 B2 F24 N19 P4 Ru2 S6 -","- C68 H91 B2 F24 N19 P4 Ru2 S6 -","- C136 H182 B4 F48 N38 P8 Ru4 S12 -","2","0.5","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","0.71073","MoKα","","0.0971","0.0508","","","0.1086","0.1256","","","","","","1.038","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328664","12.72","0.0002","17.0209","0.0003","18.7739","0.0003","110.562","0.002","100.114","0.001","97.616","0.001","3662.46","0.12","100","2","100","2","","","","","","","Nicola Bell","8","P -1","-P 1","2","","","","- C25 H37 B F12 N8 P2 Ru S3 -","- C25 H37 B F12 N8 P2 Ru S3 -","- C100 H148 B4 F48 N32 P8 Ru4 S12 -","4","2","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","1.5418","CuKα","","0.0461","0.0392","","","0.1043","0.108","","","","","","1.056","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328665","13.5789","0.0004","14.2055","0.0005","19.7712","0.0008","90","","90","","90","","3813.8","0.2","100","2","100","","","","","","","","Nicola Bell","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 B F12 N7 P2 Ru S3 -","- C31 H38 B F12 N7 P2 Ru S3 -","- C124 H152 B4 F48 N28 P8 Ru4 S12 -","4","1","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","1.5418","CuKα","","0.0362","0.0294","","","0.0733","0.0804","","","","","","1.052","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328666","10.0598","0.0003","16.6932","0.0004","19.9429","0.0005","76.356","0.001","85.925","0.001","75.842","0.001","3155.33","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H61 B2 F12 N15 P2 Ru2 S6 -","- C48 H61 B2 F12 N15 P2 Ru2 S6 -","- C96 H122 B4 F24 N30 P4 Ru4 S12 -","2","1","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","0.71073","MoKα","","0.0553","0.0402","","","0.094","0.1012","","","","","","1.027","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328667","9.9971","0.0001","20.1773","0.0003","14.1321","0.0002","90","0.002","103.452","0.001","90","0.002","2772.44","0.06","30","1","30","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 F3 N O3 P Rh S -","- C26 H38 F3 N O3 P Rh S -","- C104 H152 F12 N4 O12 P4 Rh4 S4 -","4","1","","El-Eulmi Bendeif; Chérif F. Matta; Mark Stradiotto; Pierre Fertey; Claude Lecomte","Can a Formally Zwitterionic Rhodium(I) Complex Emulate the Charge Density of a Cationic Rhodium(I) Complex? A Combined Synchrotron X-ray and Theoretical Charge-Density Study","Inorganic Chemistry","2012","51","","3754","3769","10.1021/ic2026347","","","0.54856","Synchrotron","","0.0299","0.0342","","","0.0317","0.0214","","","","","","1.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328668","9.641","0.0001","16.8404","0.0001","14.3917","0.0002","90","0.002","109.269","0.001","90","0.002","2205.71","0.04","30","1","30","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 N P Rh -","- C25 H37 N P Rh -","- C100 H148 N4 P4 Rh4 -","4","1","","El-Eulmi Bendeif; Chérif F. Matta; Mark Stradiotto; Pierre Fertey; Claude Lecomte","Can a Formally Zwitterionic Rhodium(I) Complex Emulate the Charge Density of a Cationic Rhodium(I) Complex? A Combined Synchrotron X-ray and Theoretical Charge-Density Study","Inorganic Chemistry","2012","51","","3754","3769","10.1021/ic2026347","","","0.54737","Synchrotron","","0.0265","0.0292","","","0.0231","0.0176","","","","","","1.733","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328669","12.9","0.02","13.111","0.018","13.46","0.02","65.98","0.04","85.61","0.05","84.51","0.05","2068","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H100 Mo8 N8 O26 -","- C72 H100 Mo8 N8 O26 -","- C72 H100 Mo8 N8 O26 -","1","0.5","","Tatiana R. Amarante; Patrícia Neves; Cátia Tomé; Marta Abrantes; Anabela A. Valente; Filipe A. Almeida Paz; Martyn Pillinger; Isabel S. Gonçalves","An Octanuclear Molybdenum(VI) Complex Containing Coordinatively Bound 4,4'-di-tert-Butyl-2,2'-Bipyridine, [Mo8O22(OH)4(di-tBu-bipy)4]: Synthesis, Structure, and Catalytic Epoxidation of Bio-Derived Olefins","Inorganic Chemistry","2012","51","","3666","3676","10.1021/ic202640a","","","0.71073","MoKα","","0.3317","0.0995","","","0.2051","0.3114","","","","","","0.914","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328670","9.129","0.003","12.182","0.004","13.14","0.004","73.219","0.02","70.579","0.017","68.152","0.016","1256.2","0.7","173.1","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H38 N4 Ni O6 S4 -","- C16 H38 N4 Ni O6 S4 -","- C32 H76 N8 Ni2 O12 S8 -","2","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Coordination of Methyl Coenzyme M and Coenzyme M at Divalent and Trivalent Nickel Cyclams: Model Studies of Methyl Coenzyme M Reductase Active Site","Inorganic Chemistry","2012","51","","3690","3697","10.1021/ic202686x","","","0.7107","MoKα","","","0.0835","","","","0.2461","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328671","8.668","0.004","8.68","0.005","8.81","0.005","119.359","0.007","96.713","0.004","90.824","0.003","571.8","0.5","173.1","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 N4 Ni O6 S4 -","- C14 H34 N4 Ni O6 S4 -","- C14 H34 N4 Ni O6 S4 -","1","0.5","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Coordination of Methyl Coenzyme M and Coenzyme M at Divalent and Trivalent Nickel Cyclams: Model Studies of Methyl Coenzyme M Reductase Active Site","Inorganic Chemistry","2012","51","","3690","3697","10.1021/ic202686x","","","0.7107","MoKα","","","0.033","","","","0.0688","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328672","17.379","0.005","14.775","0.004","27.878","0.008","90","","90","","90","","7158","3","173.1","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H28 N4 Ni O3 S2 -","- C12 H28 N4 Ni O3 S2 -","- C192 H448 N64 Ni16 O48 S32 -","16","2","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Coordination of Methyl Coenzyme M and Coenzyme M at Divalent and Trivalent Nickel Cyclams: Model Studies of Methyl Coenzyme M Reductase Active Site","Inorganic Chemistry","2012","51","","3690","3697","10.1021/ic202686x","","","0.7107","MoKα","","","0.0709","","","","0.1887","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328673","9.375","0.002","12.653","0.003","15.55","0.003","72.872","0.009","74.341","0.009","76.744","0.009","1674.7","0.6","173.1","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H33 F9 N7 Ni O9 S3 -","- C19 H33 F9 N7 Ni O9 S3 -","- C38 H66 F18 N14 Ni2 O18 S6 -","2","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Coordination of Methyl Coenzyme M and Coenzyme M at Divalent and Trivalent Nickel Cyclams: Model Studies of Methyl Coenzyme M Reductase Active Site","Inorganic Chemistry","2012","51","","3690","3697","10.1021/ic202686x","","","0.7107","MoKα","","","0.0562","","","","0.1518","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328674","13.5572","0.0015","14.2342","0.0015","18.346","0.002","71.475","0.007","72.896","0.008","68.011","0.007","3050.3","0.6","173.1","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H39.5 F3 N4.5 Ni O9 S5 -","- C18 H38 F3 N4.5 Ni O9 S5 -","- C72 H152 F12 N18 Ni4 O36 S20 -","4","2","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Coordination of Methyl Coenzyme M and Coenzyme M at Divalent and Trivalent Nickel Cyclams: Model Studies of Methyl Coenzyme M Reductase Active Site","Inorganic Chemistry","2012","51","","3690","3697","10.1021/ic202686x","","","0.7107","MoKα","","","0.0614","","","","0.1816","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328675","9.373","0.002","18.151","0.004","13.176","0.003","90","","90.765","0.003","90","","2241.4","0.9","173.1","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 N4 Ni O6 S4 -","- C14 H32 N4 Ni O6 S4 -","- C56 H128 N16 Ni4 O24 S16 -","4","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Coordination of Methyl Coenzyme M and Coenzyme M at Divalent and Trivalent Nickel Cyclams: Model Studies of Methyl Coenzyme M Reductase Active Site","Inorganic Chemistry","2012","51","","3690","3697","10.1021/ic202686x","","","0.7107","MoKα","","","0.0615","","","","0.1636","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328676","22.92","0.005","9.2546","0.0013","18.029","0.003","90","","120.645","0.006","90","","3290.1","1","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 N4 Ni O12 S8 -","- C18 H42 N4 Ni O12 S8 -","- C72 H168 N16 Ni4 O48 S32 -","4","0.5","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Coordination of Methyl Coenzyme M and Coenzyme M at Divalent and Trivalent Nickel Cyclams: Model Studies of Methyl Coenzyme M Reductase Active Site","Inorganic Chemistry","2012","51","","3690","3697","10.1021/ic202686x","","","0.7107","MoKα","","","0.0601","","","","0.1514","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328677","15.293","0.004","11.795","0.003","23.293","0.006","90","","90","","90","","4201.6","1.9","110","0.1","110","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Fe2 O4 P -","- C21 H27 Fe2 O4 P -","- C168 H216 Fe16 O32 P8 -","8","1","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz","Activation of H-H and H-O Bonds at Phosphorus with Diiron Complexes Bearing Pyramidal Phosphinidene Ligands","Inorganic Chemistry","2012","51","","3698","3706","10.1021/ic2026945","","x-ray","0.71073","MoKα","","0.073","0.0368","","","0.0761","0.0943","","","","","","1.121","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328678","12.3886","0.0014","12.3886","0.0014","48.243","0.006","90","","90","","90","","7404.2","1.5","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C34 H28 Cr F12 N8 P2 -","- C34 H28 Cr F12 N8 P2 -","- C272 H224 Cr8 F96 N64 P16 -","8","2","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0997","0.0571","","","0.0981","0.1147","","","","","","1.072","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328679","8.794","0.002","11.213","0.002","27.896","0.005","90","","94.183","0.003","90","","2743.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cr F6 N6 P -","- C30 H22 Cr F6 N6 P -","- C120 H88 Cr4 F24 N24 P4 -","4","1","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0845","0.0611","","","0.1731","0.1936","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328680","39.443","0.005","56.271","0.007","8.3473","0.0011","90","","90","","90","","18527","4","100","2","100","2","","","","","","","mesitylene","4","F d d 2","F 2 -2d","43","","","","- C30 H22 Cr N6 -","- C30 H22 Cr N6 -","- C960 H704 Cr32 N192 -","32","2","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0258","0.0243","","","0.0657","0.0666","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328681","39.484","0.006","56.962","0.008","8.3177","0.0012","90","","90","","90","","18707","5","100","2","100","2","","","","","","","Pentadecane","4","F d d 2","F 2 -2d","43","","","","- C30 H22 Mo N6 -","- C30 H22 Mo N6 -","- C960 H704 Mo32 N192 -","32","2","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0532","0.0349","","","0.0602","0.0659","","","","","","1.03","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328682","39.462","0.004","56.933","0.005","8.2746","0.0008","90","","90","","90","","18590","3","100","2","100","2","","","","","","","n-pentadecane","4","F d d 2","F 2 -2d","43","","","","- C30 H22 N6 W -","- C30 H22 N6 W -","- C960 H704 N192 W32 -","32","2","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0377","0.0271","","","0.0501","0.0525","","","","","","1.025","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328683","17.26","0.002","13.4299","0.0016","12.523","0.0014","90","","106.257","0.007","90","","2786.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LHL2284","","","- C22 H47 Cl Fe N2 O P4 -","- C22 H47 Cl Fe N2 O P4 -","- C88 H188 Cl4 Fe4 N8 O4 P16 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Side-on Bound Complexes of Phenyl- and Methyl-diazene","Inorganic Chemistry","2012","51","","3733","3742","10.1021/ic2027225","","","0.71073","MoKα","","0.1531","0.0714","","","0.11","0.1344","","","","","","1.01","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328684","39.212","0.003","9.8714","0.0007","24.3607","0.0017","90","","108.174","0.003","90","","8959.1","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","LHL2453","","","- C46 H78 B Cl N2 O P4 Ru -","- C42 H60 B Cl N2 P4 Ru -","- C336 H480 B8 Cl8 N16 P32 Ru8 -","8","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Side-on Bound Complexes of Phenyl- and Methyl-diazene","Inorganic Chemistry","2012","51","","3733","3742","10.1021/ic2027225","","","0.71073","MoKα","","0.041","0.0335","","","0.077","0.08","","","","","","1.049","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328685","10.0354","0.0013","16.15","0.002","13.1828","0.0019","90","","102.261","0.007","90","","2087.8","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","LHL26110","","","- C42 H59 B N2 P4 Ru -","- C42 H59 B N2 P4 Ru -","- C84 H118 B2 N4 P8 Ru2 -","2","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Side-on Bound Complexes of Phenyl- and Methyl-diazene","Inorganic Chemistry","2012","51","","3733","3742","10.1021/ic2027225","","","0.71073","MoKα","","0.0514","0.0444","","","0.0857","0.089","","","","","","1.052","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328686","14.5109","0.0008","8.6862","0.0004","18.9423","0.001","90","","102.279","0.002","90","","2333","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LHL25606","","","- C18 H38 N2 P4 Ru -","- C18 H38 N2 P4 Ru -","- C72 H152 N8 P16 Ru4 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Side-on Bound Complexes of Phenyl- and Methyl-diazene","Inorganic Chemistry","2012","51","","3733","3742","10.1021/ic2027225","","","0.71073","MoKα","","0.0263","0.0228","","","0.0522","0.0537","","","","","","1.019","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328687","13.5246","0.0006","13.754","0.0006","24.558","0.0011","90","","90","","90","","4568.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2536LHL","","","- C13 H38 Cl2 N2 P4 Ru -","- C13 H38 Cl2 N2 P4 Ru -","- C104 H304 Cl16 N16 P32 Ru8 -","8","2","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Side-on Bound Complexes of Phenyl- and Methyl-diazene","Inorganic Chemistry","2012","51","","3733","3742","10.1021/ic2027225","","","0.71073","MoKα","","0.0268","0.0226","","","0.0452","0.0467","","","","","","1.029","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328688","11.7394","0.0002","13.6105","0.0002","24.6266","0.0004","90","","99.341","0.001","90","","3882.64","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 Fe N5 -","- C37 H51 Fe N5 -","- C148 H204 Fe4 N20 -","4","1","","S. Chantal E. Stieber; Carsten Milsmann; Jordan M. Hoyt; Zoë R. Turner; Kenneth D. Finkelstein; Karl Wieghardt; Serena DeBeer; Paul J. Chirik","Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives.","Inorganic Chemistry","2012","51","","3770","3785","10.1021/ic202750n","","","1.54178","CuKα","","0.0757","0.061","","","0.1851","0.2018","","","","","","0.706","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328689","11.7453","0.0008","13.4821","0.0009","21.1639","0.0014","90","","105.877","0.001","90","","3223.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 Fe N5 -","- C35 H47 Fe N5 -","- C140 H188 Fe4 N20 -","4","1","","S. Chantal E. Stieber; Carsten Milsmann; Jordan M. Hoyt; Zoë R. Turner; Kenneth D. Finkelstein; Karl Wieghardt; Serena DeBeer; Paul J. Chirik","Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives.","Inorganic Chemistry","2012","51","","3770","3785","10.1021/ic202750n","","","0.71073","MoKα","","0.0501","0.0341","","","0.0742","0.0808","","","","","","1.031","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328690","8.86","0.002","12.017","0.003","14.947","0.004","85.021","0.004","89.893","0.004","75.995","0.004","1538","0.7","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H27 Cl F6 Ir N3 O -","- C33 H27 Cl F6 Ir N3 O -","- C66 H54 Cl2 F12 Ir2 N6 O2 -","2","1","","Pierpaolo Brulatti; Richard J. Gildea; Judith A. K. Howard; Valeria Fattori; Massimo Cocchi; J. A. Gareth Williams","Luminescent Iridium(III) Complexes with N^C^N-Coordinated Terdentate Ligands: Dual Tuning of the Emission Energy and Application to Organic Light-Emitting Devices","Inorganic Chemistry","2012","51","","3813","3826","10.1021/ic202756w","","","0.71073","MoKα","","0.037744","0.028222","","","","0.063785","","","","","","1.01553","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328691","9.099","0.0007","11.7466","0.0009","15.0771","0.0012","102.711","0.001","93.462","0.001","102.191","0.001","1526.9","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Cl5 F2 Ir N3 -","- C31 H25 Cl5 F2 Ir N3 -","- C62 H50 Cl10 F4 Ir2 N6 -","2","1","","Pierpaolo Brulatti; Richard J. Gildea; Judith A. K. Howard; Valeria Fattori; Massimo Cocchi; J. A. Gareth Williams","Luminescent Iridium(III) Complexes with N^C^N-Coordinated Terdentate Ligands: Dual Tuning of the Emission Energy and Application to Organic Light-Emitting Devices","Inorganic Chemistry","2012","51","","3813","3826","10.1021/ic202756w","","","0.71073","MoKα","","0.065327","0.044354","","","","0.112104","","","","","","1.02195","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328692","23.749","0.005","8.572","0.005","18.824","0.005","90","","90","","90","","3832","3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H39 Fe Mn N8 O5 -","- C40 H39 Fe Mn N8 O5 -","- C160 H156 Fe4 Mn4 N32 O20 -","4","1","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71069","MoKα","","0.0523","0.0345","","","0.0789","0.0995","","","","","","1.122","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328693","11.548","0.005","12.431","0.005","13.16","0.005","91.241","0.005","102.517","0.005","105.191","0.005","1773.6","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Fe Mn N8 O9 -","- C34 H34 Fe Mn N8 O9 -","- C68 H68 Fe2 Mn2 N16 O18 -","2","1","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71069","MoKα","","0.0573","0.0377","","","0.0924","0.101","","","","","","1.05","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328694","10.348","0.005","23.946","0.005","13.121","0.004","90","","116.64","0.03","90","","2906.1","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Fe Mn N8 O4 -","- C32 H24 Fe Mn N8 O4 -","- C128 H96 Fe4 Mn4 N32 O16 -","4","1","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71069","MoKα","","0.0675","0.0374","","","0.1302","0.2013","","","","","","0.848","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328695","10.467","0.005","12.78","0.005","24.077","0.005","90","","90","","90","","3221","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Fe Mn N8 O4 -","- C35 H30 Fe Mn N8 O4 -","- C140 H120 Fe4 Mn4 N32 O16 -","4","1","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71069","MoKα","","0.1661","0.067","","","0.145","0.2269","","","","","","1.014","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328696","10.795","0.005","13.48","0.005","29.908","0.005","90","","96.24","0.005","90","","4326","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Cl6 Fe Mn N8 O4 -","- C39 H36 Cl6 Fe Mn N8 O4 -","- C156 H144 Cl24 Fe4 Mn4 N32 O16 -","4","1","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71069","MoKα","","0.1111","0.0537","","","0.1351","0.1935","","","","","","1.014","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328697","10.7731","0.0003","13.7589","0.0004","27.5931","0.0009","90","","101.672","0.002","90","","4005.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H88 Fe2 Mn2 N16 O11.5 -","- C84 H88 Fe2 Mn2 N16 O11.5 -","- C168 H176 Fe4 Mn4 N32 O23 -","2","0.5","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71073","MoKα","","0.1378","0.0686","","","0.166","0.2231","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328698","17.205","0.003","17.308","0.004","25.966","0.005","91.54","0.03","91.5","0.03","105.14","0.03","7457","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H76 Fe2 Mn2 N16 O10 -","- C82 H76 Fe2 Mn2 N16 O10 -","- C328 H304 Fe8 Mn8 N64 O40 -","4","2","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71073","MoKα","","0.1166","0.0896","","","0.2283","0.2506","","","","","","1.268","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328699","9.1678","0.0016","10.2767","0.0018","7.713","0.0013","90","","101.622","0.007","90","","711.8","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N4 Se2 -","- C5 H3 N4 Se2 -","- C20 H12 N16 Se8 -","4","1","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.079","0.0497","","","0.1196","0.1355","","","","","","1.048","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328700","23.5273","0.0007","13.1703","0.0004","24.8471","0.0008","90","","97.903","0.002","90","","7626","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H7 F24 N4 Ni2 O8 S2 -","- C25 H7 F24 N4 Ni2 O8 S2 -","- C200 H56 F192 N32 Ni16 O64 S16 -","8","1","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.123","0.054","","","0.1258","0.1501","","","","","","0.977","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328701","10.62","0.002","14.63","0.003","14.893","0.003","67.2","0.03","70.41","0.03","85.75","0.03","2005.5","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H7 F24 N4 Ni2 O8 Se2 -","- C25 H7 F24 N4 Ni2 O8 Se2 -","- C50 H14 F48 N8 Ni4 O16 Se4 -","2","1","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.0969","0.0598","","","0.1559","0.1773","","","","","","1.034","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328702","21.358","0.002","16.112","0.002","13.0378","0.0014","90","","124.763","0.005","90","","3685.8","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H7 Co2 F24 N4 O8 S2 -","- C25 H7 Co2 F24 N4 O8 S2 -","- C100 H28 Co8 F96 N16 O32 S8 -","4","0.5","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.1064","0.0582","","","0.1448","0.1665","","","","","","1.041","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328703","8.9148","0.0014","12.209","0.002","18.562","0.003","96.563","0.01","91.913","0.01","110.86","0.009","1869.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H7 F24 Mn2 N4 O8 S2 -","- C25 H7 F24 Mn2 N4 O8 S2 -","- C50 H14 F48 Mn4 N8 O16 S4 -","2","1","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.1896","0.0584","","","0.0962","0.1232","","","","","","0.875","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328704","8.9576","0.0005","12.252","0.0007","18.6441","0.0011","96.563","0.004","91.865","0.004","110.633","0.004","1896.5","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H7 F24 Mn2 N4 O8 Se2 -","- C25 H7 F24 Mn2 N4 O8 Se2 -","- C50 H14 F48 Mn4 N8 O16 Se4 -","2","1","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.0848","0.0499","","","0.107","0.1181","","","","","","1.084","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328705","21.486","0.004","16.218","0.003","13.036","0.003","90","","124.77","0.03","90","","3731.4","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H7 F24 N4 O8 S2 Zn2 -","- C25 H7 F24 N4 O8 S2 Zn2 -","- C100 H28 F96 N16 O32 S8 Zn8 -","4","0.5","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.0984","0.0533","","","0.1169","0.1382","","","","","","1.023","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328706","19.884","0.004","8.8599","0.0018","23.216","0.005","90","","100.73","0.03","90","","4018.5","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H17 F48 N12 O16 S6 Zn4 -","- C55 H17 F48 N12 O16 S6 Zn4 -","- C110 H34 F96 N24 O32 S12 Zn8 -","2","0.5","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.0887","0.0509","","","0.1188","0.1379","","","","","","1.034","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328707","9.6479","0.0008","9.9657","0.0009","12.3761","0.0009","107.848","0.005","100.353","0.005","100.592","0.004","1077.36","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H5 F12 N4 Ni O4 S2 -","- C15 H5 F12 N4 Ni O4 S2 -","- C30 H10 F24 N8 Ni2 O8 S4 -","2","1","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.0752","0.056","","","0.1526","0.1676","","","","","","1.027","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328708","19.891","0.0005","8.8452","0.0003","23.4215","0.0005","90","","101.026","0.002","90","","4044.71","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H17 F48 Mn4 N12 O16 S6 -","- C55 H17 F48 Mn4 N12 O16 S6 -","- C110 H34 F96 Mn8 N24 O32 S12 -","2","0.5","","Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss","Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA","Inorganic Chemistry","2012","51","","3827","3839","10.1021/ic3000284","","","0.71073","MoKα","","0.0643","0.048","","","0.1147","0.1231","","","","","","1.082","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328709","10.5257","0.0008","5.7345","0.0005","16.0667","0.0013","90","","102.617","0.001","90","","946.36","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O6 U -","- C16 H22 N4 O6 U -","- C32 H44 N8 O12 U2 -","2","0.5","","Sinisa Vukovic; Lori A. Watson; Sung Ok Kang; Radu Custelcean; Benjamin P. Hay","How Amidoximate Binds the Uranyl Cation","Inorganic Chemistry","2012","51","","3855","3859","10.1021/ic300062s","","","0.71073","MoKα","","0.026","0.018","","","0.0404","0.0437","","","","","","1.018","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328710","5.8369","0.0005","8.1327","0.0006","13.7292","0.0011","90","","91.697","0.001","90","","651.44","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 N4 O6 U -","- C6 H18 N4 O6 U -","- C12 H36 N8 O12 U2 -","2","0.5","","Sinisa Vukovic; Lori A. Watson; Sung Ok Kang; Radu Custelcean; Benjamin P. Hay","How Amidoximate Binds the Uranyl Cation","Inorganic Chemistry","2012","51","","3855","3859","10.1021/ic300062s","","","0.71073","MoKα","","0.0265","0.0181","","","0.041","0.0443","","","","","","1.055","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328711","10.115","0.002","10.646","0.002","20.672","0.004","75.51","0.03","88.28","0.03","76.32","0.03","2093.1","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H44 N24 O -","- C41 H44 N24 O -","- C82 H88 N48 O2 -","2","1","","Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine","Inorganic Chemistry","2012","51","","3860","3867","10.1021/ic3000679","","","0.71073","MoKα","","0.0689","0.0646","","","0.1838","0.1885","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328712","27.535","0.006","14.067","0.003","18.359","0.004","90","","112.81","0.03","90","","6555","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H26.5 Ag1.5 F4.5 N13.5 O5.5 S1.5 -","- C24.5 H26.5 Ag1.5 F4.5 N13.5 O5.5 S1.5 -","- C196 H212 Ag12 F36 N108 O44 S12 -","8","1","","Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine","Inorganic Chemistry","2012","51","","3860","3867","10.1021/ic3000679","","","0.71073","MoKα","","0.0865","0.079","","","0.1748","0.1791","","","","","","1.163","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328713","28.615","0.006","13.315","0.003","18.187","0.004","90","","113.32","0.03","90","","6363","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Ag1.5 N13.5 O7 -","- C20 H24 Ag1.5 N13.5 O7 -","- C160 H192 Ag12 N108 O56 -","8","1","","Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine","Inorganic Chemistry","2012","51","","3860","3867","10.1021/ic3000679","","","0.71073","MoKα","","0.0843","0.0666","","","0.1542","0.1653","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328714","18.797","0.004","18.883","0.004","31.934","0.006","90","","90.69","0.03","90","","11334","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H80 Ag4 B4 F16 N48 O0.5 -","- C80 H80 Ag4 B4 F16 N48 O0.5 -","- C320 H320 Ag16 B16 F64 N192 O2 -","4","1","","Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine","Inorganic Chemistry","2012","51","","3860","3867","10.1021/ic3000679","","","0.71073","MoKα","","0.1621","0.133","","","0.3131","0.3324","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328715","15.729","0.002","15.729","0.002","12.403","0.003","90","","90","","120","","2657.4","0.8","173","2","173","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C22 H20 F6 N12 O6 S2 Zn -","- C21.996 H20 F6 N12 O6 S2 Zn -","- C65.988 H60 F18 N36 O18 S6 Zn3 -","3","0.5","","Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine","Inorganic Chemistry","2012","51","","3860","3867","10.1021/ic3000679","","","0.71073","MoKα","","0.0537","0.0528","","","0.1245","0.1251","","","","","","1.169","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328716","24.142","0.002","35.78","0.007","9.209","0.001","90","","90","","90","","7954.7","1.9","113","2","113","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C40 H40 Cu5 I5 N24 -","- C40 H40 Cu5 I5 N24 -","- C160 H160 Cu20 I20 N96 -","4","0.5","","Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine","Inorganic Chemistry","2012","51","","3860","3867","10.1021/ic3000679","","","0.71075","MoKα","","0.094","0.0729","","","0.193","0.2069","","","","","","1.04","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328717","8.766","0.003","8.766","0.003","7.353","0.003","90","","90","","90","","565","0.4","100","2","100","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Hg Rb2 Sn Te4 -","- Hg Rb2 Sn Te4 -","- Hg2 Rb4 Sn2 Te8 -","2","0.125","","Günther Thiele; Sabrina Peter; Martin Schwarzer; Eugen Ruzin; Rodolphe Clérac; Halgard Staesche; Carola Rößer; Bernhard Roling; Stefanie Dehnen","Heterobimetallic Chalcogenidometallate Strands: Synthesis, Structure, Magnetism, and Conductivity","Inorganic Chemistry","2012","51","","3349","3351","10.1021/ic300075a","","","0.71073","MoKα","","0.0717","0.068","","","0.1777","0.1838","","","","","","1.036","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328718","17.44","0.004","7.035","0.003","9.465","0.003","90","","117.9","0.03","90","","1026.3","0.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H24 Mn N2 Sn Te4 -","- C8 H24 Mn N2 Sn Te4 -","- C16 H48 Mn2 N4 Sn2 Te8 -","2","0.25","","Günther Thiele; Sabrina Peter; Martin Schwarzer; Eugen Ruzin; Rodolphe Clérac; Halgard Staesche; Carola Rößer; Bernhard Roling; Stefanie Dehnen","Heterobimetallic Chalcogenidometallate Strands: Synthesis, Structure, Magnetism, and Conductivity","Inorganic Chemistry","2012","51","","3349","3351","10.1021/ic300075a","","","0.71073","MoKα","","0.1013","0.0933","","","0.2456","0.2521","","","","","","1.016","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328719","12.5582","0.0004","12.5582","0.0004","19.787","0.0006","90","","90","","120","","2702.5","0.15","296","2","296","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Cs3 Ge7 O18 U -","- Cs3 Ge7 O18 U -","- Cs18 Ge42 O108 U6 -","6","0.5","","Quang Bac Nguyen; Chun-Liang Chen; Yun-Wei Chiang; Kwang-Hwa Lii","Cs3UGe7O18: A Pentavalent Uranium Germanate Containing Four- and Six-Coordinate Germanium","Inorganic Chemistry","2012","51","","3879","3882","10.1021/ic3000872","","","0.71073","MoKα","","0.0268","0.0204","","","0.0519","0.0544","","","","","","1.04","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328720","8.881","0.0004","30.3579","0.0011","11.5384","0.0004","90","","112.595","0.005","90","","2872.1","0.2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H44 Au Cl Ge N2 S Si4 -","- C16 H44 Au Cl Ge N2 S Si4 -","- C64 H176 Au4 Cl4 Ge4 N8 S4 Si16 -","4","1","","Javier A. Cabeza; José M. Fernández-Colinas; Pablo García-Álvarez; Diego Polo","Diaminogermylene and Diaminostannylene Derivatives of Gold(I): Novel AuM and AuM2 (M = Ge, Sn) Complexes","Inorganic Chemistry","2012","51","","3896","3903","10.1021/ic3001575","","","1.5418","CuKα","","0.0933","0.0755","","","0.1933","0.2084","","","","","","1.057","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328721","20.4748","0.0004","14.6467","0.0002","33.0448","0.0006","90","","97.558","0.002","90","","9823.7","0.3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H152 Au2 Cl2 Ge4 N8 Si16 -","- C55 H152 Au2 Cl2 Ge4 N8 Si16 -","- C220 H608 Au8 Cl8 Ge16 N32 Si64 -","4","0.5","","Javier A. Cabeza; José M. Fernández-Colinas; Pablo García-Álvarez; Diego Polo","Diaminogermylene and Diaminostannylene Derivatives of Gold(I): Novel AuM and AuM2 (M = Ge, Sn) Complexes","Inorganic Chemistry","2012","51","","3896","3903","10.1021/ic3001575","","","1.5418","CuKα","","0.0381","0.0307","","","0.0806","0.0878","","","","","","1.053","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328722","19.8189","0.0003","11.8064","0.0002","24.3764","0.0003","90","","90.667","0.001","90","","5703.44","0.15","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H88 Au Cl N4 S Si8 Sn2 -","- C35 H88 Au Cl N4 S Si8 Sn2 -","- C140 H352 Au4 Cl4 N16 S4 Si32 Sn8 -","4","1","","Javier A. Cabeza; José M. Fernández-Colinas; Pablo García-Álvarez; Diego Polo","Diaminogermylene and Diaminostannylene Derivatives of Gold(I): Novel AuM and AuM2 (M = Ge, Sn) Complexes","Inorganic Chemistry","2012","51","","3896","3903","10.1021/ic3001575","","","1.5418","CuKα","","0.0693","0.05","","","0.1265","0.1431","","","","","","1.022","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328723","11.3691","0.0002","31.7882","0.0005","15.1248","0.0002","90","","90.029","0.001","90","","5466.15","0.15","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H89 Au N4 S Si8 Sn2 -","- C32 H89 Au N4 S Si8 Sn2 -","- C128 H356 Au4 N16 S4 Si32 Sn8 -","4","1","","Javier A. Cabeza; José M. Fernández-Colinas; Pablo García-Álvarez; Diego Polo","Diaminogermylene and Diaminostannylene Derivatives of Gold(I): Novel AuM and AuM2 (M = Ge, Sn) Complexes","Inorganic Chemistry","2012","51","","3896","3903","10.1021/ic3001575","","","1.5418","CuKα","","0.0468","0.0379","","","0.1118","0.1181","","","","","","1.117","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328724","22.3141","0.0004","13.634","0.0002","22.3095","0.0004","90","","118.386","0.002","90","","5971.2","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H98 Au N5 S Si10 Sn2 -","- C34 H98 Au N5 S Si10 Sn2 -","- C136 H392 Au4 N20 S4 Si40 Sn8 -","4","1","","Javier A. Cabeza; José M. Fernández-Colinas; Pablo García-Álvarez; Diego Polo","Diaminogermylene and Diaminostannylene Derivatives of Gold(I): Novel AuM and AuM2 (M = Ge, Sn) Complexes","Inorganic Chemistry","2012","51","","3896","3903","10.1021/ic3001575","","","1.5418","CuKα","","0.0284","0.0259","","","0.0666","0.0681","","","","","","1.048","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328725","16.671","0.003","11.665","0.002","17.231","0.003","90","","108.69","0.03","90","","3174.2","1.1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 Co2 N2 P4 -","- C29 H46 Co2 N2 P4 -","- C116 H184 Co8 N8 P16 -","4","1","","Simon Dürr; Daniel Ertler; Udo Radius","Symmetrical P4 Cleavage at Cobalt: Characterization of Intermediates on the Way from P4 to Coordinated P2 Units","Inorganic Chemistry","2012","51","","3904","3909","10.1021/ic300219w","","","0.71073","MoKα","","0.0553","0.0501","","","0.1319","0.1368","","","","","","1.108","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328726","16.394","0.003","9.4038","0.0019","17.023","0.003","90","","118.37","0.03","90","","2309.2","1","203","2","203","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H31 Co N2 P4 -","- C19 H31 Co N2 P4 -","- C76 H124 Co4 N8 P16 -","4","1","","Simon Dürr; Daniel Ertler; Udo Radius","Symmetrical P4 Cleavage at Cobalt: Characterization of Intermediates on the Way from P4 to Coordinated P2 Units","Inorganic Chemistry","2012","51","","3904","3909","10.1021/ic300219w","","","0.71073","MoKα","","0.0281","0.0255","","","0.0664","0.0705","","","","","","1.08","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328727","10.507","0.007","13.924","0.009","17.651","0.012","101.841","0.008","91.66","0.007","105.228","0.007","2429","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H62 Co2 N4 P4 -","- C38 H62 Co2 N4 P4 -","- C76 H124 Co4 N8 P8 -","2","1","","Simon Dürr; Daniel Ertler; Udo Radius","Symmetrical P4 Cleavage at Cobalt: Characterization of Intermediates on the Way from P4 to Coordinated P2 Units","Inorganic Chemistry","2012","51","","3904","3909","10.1021/ic300219w","","","0.71073","MoKα","","0.0601","0.0479","","","0.1184","0.1263","","","","","","1.102","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328728","10.4813","0.0015","14.3141","0.0015","21.83","0.003","74.161","0.005","77.96","0.004","80.1","0.005","3058.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H21 Fe N7 O5 -","- C37 H21 Fe N7 O5 -","- C148 H84 Fe4 N28 O20 -","4","2","","Sara Nardis; Manuela Stefanelli; Pruthviraj Mohite; Giuseppe Pomarico; Luca Tortora; Machima Manowong; Ping Chen; Karl M. Kadish; Frank R. Fronczek; Gregory T. McCandless; Kevin M. Smith; Roberto Paolesse","β-Nitro Derivatives of Iron Corrolates","Inorganic Chemistry","2012","51","","3910","3920","10.1021/ic3002459","","","0.71073","MoKα","","0.125","0.0575","","","0.1372","0.1609","","","","","","1.033","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328729","8.82563","0.00016","18.6217","0.0004","25.0098","0.0004","90","","95.5838","0.0015","90","","4090.81","0.13","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Cl2 N6 O7 Ru -","- C37 H36 Cl2 N6 O7 Ru -","- C148 H144 Cl8 N24 O28 Ru4 -","4","1","","William B. Heuer; Hai-Long Xia; William Ward; Zhen Zhou; Wayne H. Pearson; Maxime A. Siegler; Amy A. Narducci Sarjeant; Maria Abrahamsson; Gerald J. Meyer","New Dicarboxylic Acid Bipyridine Ligand for Ruthenium Polypyridyl Sensitization of TiO2","Inorganic Chemistry","2012","51","","3981","3988","10.1021/ic201395q","","","0.71073","MoKα","","0.0462","0.0407","","","0.0983","0.1009","","","","","","1.078","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328730","11.744","0.004","30.697","0.011","12.589","0.004","90","","113.201","0.009","90","","4171","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 F12 N6 O4 P2 Ru -","- C38 H32 F12 N6 O4 P2 Ru -","- C152 H128 F48 N24 O16 P8 Ru4 -","4","1","","William B. Heuer; Hai-Long Xia; William Ward; Zhen Zhou; Wayne H. Pearson; Maxime A. Siegler; Amy A. Narducci Sarjeant; Maria Abrahamsson; Gerald J. Meyer","New Dicarboxylic Acid Bipyridine Ligand for Ruthenium Polypyridyl Sensitization of TiO2","Inorganic Chemistry","2012","51","","3981","3988","10.1021/ic201395q","","","0.71073","MoKα","","0.0683","0.0489","","","0.1185","0.1277","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328731","16.101","0.003","15.811","0.003","33.193","0.007","90","","92.69","0.03","90","","8441","3","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H116.5 Li O4 Si12 Sn8.25 -","- C43 H116.5 Li O4 Si12.735 Sn8.265 -","- C172 H466 Li4 O16 Si50.94 Sn33.06 -","4","1","","Claudio Schrenk; Marco Neumaier; Andreas Schnepf","{Sn9[Si(SiMe3)3]3}- and {Sn8Si[Si(SiMe3)3]3}-: Variations of the E9 Cage of Metalloid Group 14 Clusters","Inorganic Chemistry","2012","51","","3989","3995","10.1021/ic201730g","","","0.71073","MoKα","","0.0848","0.052","","","0.0986","0.108","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328732","16.7649","0.0016","24.203","0.003","23.937","0.002","90","","90","","90","","9712.7","1.7","200","2","200","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- C43 H113 Li O8 Si12 Sn9 -","- C43 H114 Li O8 Si12 Sn9 -","- C172 H456 Li4 O32 Si48 Sn36 -","4","0.25","","Claudio Schrenk; Marco Neumaier; Andreas Schnepf","{Sn9[Si(SiMe3)3]3}- and {Sn8Si[Si(SiMe3)3]3}-: Variations of the E9 Cage of Metalloid Group 14 Clusters","Inorganic Chemistry","2012","51","","3989","3995","10.1021/ic201730g","","","0.71073","MoKα","","0.0516","0.0469","","","0.1334","0.1436","","","","","","1.061","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328733","23.533","0.004","29.906","0.004","15.98","0.002","90","","90","","90","","11246","3","298","2","298","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C54 H44 Ag2 F12 N8 O2 P2 -","- C54 H44 Ag2 F12 N8 O2 P2 -","- C432 H352 Ag16 F96 N64 O16 P16 -","8","0.5","","Chao Fang; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Independent 1D Nanosized Metal-Organic Tube: Anion Exchange, Separation, and Anion-Responsive Luminescence","Inorganic Chemistry","2012","51","","3923","3925","10.1021/ic201765u","","","0.71073","MoKα","","0.0947","0.0644","","","0.1937","0.2316","","","","","","1.019","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328734","22.456","0.004","29.527","0.006","16.123","0.003","90","","90","","90","","10690","4","173","2","173","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C55 H48 Ag2 Cl2 N8 O9.5 -","- C55 H48 Ag2 Cl2 N8 O9.5 -","- C440 H384 Ag16 Cl16 N64 O76 -","8","0.5","","Chao Fang; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Independent 1D Nanosized Metal-Organic Tube: Anion Exchange, Separation, and Anion-Responsive Luminescence","Inorganic Chemistry","2012","51","","3923","3925","10.1021/ic201765u","","","0.71073","MoKα","","0.0959","0.0566","","","0.1257","0.1439","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328735","24.238","0.004","30.052","0.006","15.646","0.003","90","","90","","90","","11397","4","293","2","293","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C53 H50 Ag2 F12 N8 O2 Sb2 -","- C53 H50 Ag2 F12 N8 O2 Sb2 -","- C424 H400 Ag16 F96 N64 O16 Sb16 -","8","0.5","","Chao Fang; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Independent 1D Nanosized Metal-Organic Tube: Anion Exchange, Separation, and Anion-Responsive Luminescence","Inorganic Chemistry","2012","51","","3923","3925","10.1021/ic201765u","","","0.71073","MoKα","","0.1025","0.0502","","","0.1288","0.1621","","","","","","0.993","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328736","16.4619","0.001","33.693","0.002","19.8683","0.0012","90","","92.672","0.004","90","","11008","1.1","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C108 H87 D24 N3 P6 S7 Si3 Sn4 -","- C108 H87 D24 N3 P6 S7 Si3 Sn4 -","- C432 H348 D96 N12 P24 S28 Si12 Sn16 -","4","1","","Jia-Yi Guo; Hong-Wei Xi; Israel Nowik; Rolfe H. Herber; Yongxin Li; Kok Hwa Lim; Cheuk-Wai So","Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)methanediide Complex Toward Sulfur: Synthesis and 119Sn Mössbauer Spectroscopic Studies of [{(μ-S)SnC(PPh2=NSiMe3)(PPh2=S)}3Sn(μ3-S)]","Inorganic Chemistry","2012","51","","3996","4001","10.1021/ic2019633","","","0.71073","MoKα","","0.1327","0.077","","","0.1862","0.2238","","","","","","1.176","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328737","10.612","0.004","22.647","0.008","12.76","0.005","90","","109.363","0.005","90","","2893.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br3 N2 Zn -","- C11 H11 Br3 N2 Zn -","- C88 H88 Br24 N16 Zn8 -","8","2","","Xiang-Ying Lv; Ming-Sheng Wang; Chen Yang; Guan-E Wang; Shuai-Hua Wang; Rong-Guang Lin; Guo-Cong Guo","Photochromic Metal Complexes of N-Methyl-4,4'-Bipyridinium: Mechanism and Influence of Halogen Atoms","Inorganic Chemistry","2012","51","","4015","4019","10.1021/ic2020868","","","0.71073","MoKα","","0.0852","0.0641","","","0.186","0.2111","","","","","","1.079","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328738","12.6582","0.0005","18.0565","0.0007","24.8261","0.001","90","","90","","90","","5674.3","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H58 Ge Ir O2 P4 Rh -","- C64 H58 Ge Ir O2 P4 Rh -","- C256 H232 Ge4 Ir4 O8 P16 Rh4 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0211","0.02","","","0.0454","0.0456","","","","","","1.154","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328739","12.3318","0.0007","17.7653","0.001","25.2646","0.0015","90","","90","","90","","5534.9","0.6","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C57 H58 Cl2 Ge Ir O2 P4 Rh -","- C57 H58 Cl2 Ge Ir O2 P4 Rh -","- C228 H232 Cl8 Ge4 Ir4 O8 P16 Rh4 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0192","0.0188","","","0.0524","0.0526","","","","","","1.074","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328740","19.0061","0.001","15.3895","0.0008","21.6357","0.0011","90","","91.0552","0.0008","90","","6327.2","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H62 Cl2 Ge2 Ir O2 P4 Rh -","- C71 H62 Cl2 Ge2 Ir O2 P4 Rh -","- C284 H248 Cl8 Ge8 Ir4 O8 P16 Rh4 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0509","0.0318","","","0.0654","0.0724","","","","","","1.019","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328741","13.0777","0.0006","13.0777","0.0006","32.0219","0.0014","90","","90","","120","","4742.9","0.4","173","2","173","2","","","","","","","","8","P 31","P 31","144","","","","- C66 H60 Cl4 Ge Ir O2 P4 Rh -","- C64 H56 Ge Ir O2 P4 Rh -","- C192 H168 Ge3 Ir3 O6 P12 Rh3 -","3","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0525","0.052","","","0.1177","0.1179","","","","","","1.222","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328742","13.4862","0.0005","15.7589","0.0006","20.9542","0.0008","97.4832","0.0004","104.767","0.0004","113.785","0.0004","3801.4","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H73.5 F1.5 Ge2 Ir O3 P4 Rh -","- C86 H73.5 F1.5 Ge2 Ir O3 P4 Rh -","- C172 H147 F3 Ge4 Ir2 O6 P8 Rh2 -","2","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.02","0.0187","","","0.0526","0.0537","","","","","","1.035","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328743","11.4112","0.0012","18.4332","0.0019","20.728","0.002","81.9654","0.0012","89.8087","0.0012","89.6227","0.0012","4317.1","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C100 H99 B Ge Ir O5 P4 Rh -","- C100 H99 B Ge Ir O5 P4 Rh -","- C200 H198 B2 Ge2 Ir2 O10 P8 Rh2 -","2","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0535","0.0349","","","0.0802","0.0878","","","","","","1.038","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328744","14.1513","0.0004","16.7686","0.0005","20.6792","0.0006","96.1547","0.0003","108.352","0.0003","97.5944","0.0004","4558.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H109 B Ge Ir O6 P4 Rh -","- C96 H93 B Ge Ir O4 P4 Rh -","- C192 H186 B2 Ge2 Ir2 O8 P8 Rh2 -","2","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0307","0.0252","","","0.0723","0.0759","","","","","","1.07","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328745","13.0611","0.0007","22.6927","0.0012","22.6651","0.0012","90","","100.703","0.0007","90","","6600.9","0.6","173","2","173","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C66.5 H60 Cl3 F3 Ge Ir O6 P4 Rh S -","- C65 H57 F3 Ge Ir O6 P4 Rh S -","- C260 H228 F12 Ge4 Ir4 O24 P16 Rh4 S4 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0515","0.0411","","","0.0926","0.0968","","","","","","1.056","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328746","17.044","0.0009","24.152","0.0012","17.5193","0.0009","90","","98.445","0.001","90","","7133.6","0.6","173","2","173","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H67 Cl3 F3 Ge Ir O6.5 P4 Rh S -","- C69.5 H67 Cl3 F3 Ge Ir O6.5 P4 Rh S -","- C278 H268 Cl12 F12 Ge4 Ir4 O26 P16 Rh4 S4 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0509","0.0338","","","0.0883","0.0962","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328747","17.8984","0.0008","27.6222","0.0012","25.0228","0.0011","90","","92.888","0.001","90","","12355.4","0.9","191","2","191","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C89 H81 Cl4 Dy6 N19 O28 -","- C89 H66 Cl4 Dy6 N19 O28 -","- C356 H264 Cl16 Dy24 N76 O112 -","4","1","","Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang","Molecular Assembly and Magnetic Dynamics of Two Novel Dy6 and Dy8 Aggregates","Inorganic Chemistry","2012","51","","4035","4042","10.1021/ic202170z","","","0.71073","MoKα","","0.1078","0.06","","","0.174","0.2085","","","","","","0.997","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328748","31.1933","0.0013","18.4912","0.0007","29.0411","0.0011","90","","97.132","0.001","90","","16621.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C140 H152 Dy8 N36 O50 -","- C140 H88 Dy8 N36 O50 -","- C560 H352 Dy32 N144 O200 -","4","0.5","","Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang","Molecular Assembly and Magnetic Dynamics of Two Novel Dy6 and Dy8 Aggregates","Inorganic Chemistry","2012","51","","4035","4042","10.1021/ic202170z","","","0.71073","MoKα","","0.0504","0.0352","","","0.0921","0.1015","","","","","","1.048","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328749","8.794","0.002","8.958","0.002","13.342","0.003","94.55","0.02","98.59","0.02","107.66","0.02","981.6","0.4","183","2","183","2","","","","","","","","6","P -1","-P 1","2","[Tc(NOTA3H)(CO)3]Cl","","","- C15 H21 Cl N3 O9 Tc -","- C15 H21 Cl N3 O9 Tc -","- C30 H42 Cl2 N6 O18 Tc2 -","2","1","","Henrik Braband; Sebastian Imstepf; Michael Benz; Bernhard Spingler; Roger Alberto","Combining Bifunctional Chelator with (3 + 2)-Cycloaddition Approaches: Synthesis of Dual-Function Technetium Complexes","Inorganic Chemistry","2012","51","","4051","4057","10.1021/ic202212e","","","0.71073","MoKα","","0.0582","0.0369","","","0.0457","0.048","","","","","","0.847","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328750","13.1764","0.001","13.4243","0.0006","7.4419","0.0005","90","","92.167","0.009","90","","1315.41","0.15","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Tc(tacn)(CO)3]Cl","","","- C9 H15 Cl N3 O3 Tc -","- C9 H15 Cl N3 O3 Tc -","- C36 H60 Cl4 N12 O12 Tc4 -","4","1","","Henrik Braband; Sebastian Imstepf; Michael Benz; Bernhard Spingler; Roger Alberto","Combining Bifunctional Chelator with (3 + 2)-Cycloaddition Approaches: Synthesis of Dual-Function Technetium Complexes","Inorganic Chemistry","2012","51","","4051","4057","10.1021/ic202212e","","","0.71073","MoKα","","0.0759","0.0568","","","0.1361","0.1465","","","","","","0.986","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328751","10.1014","0.0012","11.475","0.0008","17.935","0.002","90","","95.344","0.014","90","","2069.9","0.4","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[TcO3(tacn-BA)]Br","","","- C15 H26 Br N4 O5 Tc -","- C15 H26 Br N4 O5 Tc -","- C60 H104 Br4 N16 O20 Tc4 -","4","1","","Henrik Braband; Sebastian Imstepf; Michael Benz; Bernhard Spingler; Roger Alberto","Combining Bifunctional Chelator with (3 + 2)-Cycloaddition Approaches: Synthesis of Dual-Function Technetium Complexes","Inorganic Chemistry","2012","51","","4051","4057","10.1021/ic202212e","","","0.71073","MoKα","","0.107","0.0482","","","0.0916","0.1047","","","","","","0.807","","","","has coordinates","189097","2020-10-21","18:00:00",""
"4328752","7.8503","0.0003","10.859","0.0003","12.3046","0.0004","106.501","0.003","93.887","0.003","96.816","0.003","992.92","0.06","183","2","183","2","","","","","","","","6","P -1","-P 1","2","[TcO3(eg)(tacn-ba)]Br","","","- C17 H28 Br N4 O4 Tc -","- C17 H28 Br N4 O4 Tc -","- C34 H56 Br2 N8 O8 Tc2 -","2","1","","Henrik Braband; Sebastian Imstepf; Michael Benz; Bernhard Spingler; Roger Alberto","Combining Bifunctional Chelator with (3 + 2)-Cycloaddition Approaches: Synthesis of Dual-Function Technetium Complexes","Inorganic Chemistry","2012","51","","4051","4057","10.1021/ic202212e","","","0.71073","MoKα","","0.0673","0.0375","","","0.0476","0.0507","","","","","","0.847","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328753","7.7667","0.0005","11.9159","0.0008","12.1265","0.0006","109.724","0.005","95.71","0.005","90.975","0.005","1049.65","0.12","183","2","183","2","","","","","","","","6","P -1","-P 1","2","Na2[Re(nota)(CO)3]","","","- C15 H23 N3 Na2 O11.5 Re -","- C15 H20 N3 Na2 O11.5 Re -","- C30 H40 N6 Na4 O23 Re2 -","2","1","","Henrik Braband; Sebastian Imstepf; Michael Benz; Bernhard Spingler; Roger Alberto","Combining Bifunctional Chelator with (3 + 2)-Cycloaddition Approaches: Synthesis of Dual-Function Technetium Complexes","Inorganic Chemistry","2012","51","","4051","4057","10.1021/ic202212e","","","0.71073","MoKα","","0.0484","0.0334","","","0.064","0.0659","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328754","6.4835","0.0002","14.2176","0.0005","14.3398","0.0005","66.044","0.004","87.183","0.003","89.303","0.003","1206.47","0.08","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H53 N6 Na3 O26 Tc2 -","- C24 H52 N6 Na3 O26 Tc2 -","- C24 H52 N6 Na3 O26 Tc2 -","1","0.5","","Henrik Braband; Sebastian Imstepf; Michael Benz; Bernhard Spingler; Roger Alberto","Combining Bifunctional Chelator with (3 + 2)-Cycloaddition Approaches: Synthesis of Dual-Function Technetium Complexes","Inorganic Chemistry","2012","51","","4051","4057","10.1021/ic202212e","","","0.71073","MoKα","","0.0796","0.045","","","0.0762","0.0814","","","","","","0.929","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4328755","14.323","0.0007","15.906","0.0009","17.8634","0.0009","90","","90.078","0.004","90","","4069.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ge18 O4 Rb10 W -","- Ge18 O4 Rb10 W -","- Ge72 O16 Rb40 W4 -","4","1","","Viktor Hlukhyy; Thomas F. Fässler; Siméon Ponou; Sven Lidin; Natalia P. Ivleva; Reinhard Niessner","Extreme Differences in Oxidation States: Synthesis and Structural Analysis of the Germanide Oxometallates A10[Ge9]2[WO4] As Well As A10+x[Ge9]2[W1-xNbxO4] with A = K and Rb Containing [Ge9]4- Polyanions","Inorganic Chemistry","2012","51","","4058","4065","10.1021/ic202234b","","","0.71073","MoKα","","0.1634","0.1177","","","0.2757","0.3015","","","","","","1.011","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328756","13.9079","0.001","15.9085","0.0012","17.3829","0.0013","90","","90.05","0.006","90","","3846","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ge18 K10.355 Nb0.355 O4 W0.645 -","- Ge18 K10.355 Nb0.355 O4 W0.645 -","- Ge72 K41.42 Nb1.42 O16 W2.58 -","4","1","","Viktor Hlukhyy; Thomas F. Fässler; Siméon Ponou; Sven Lidin; Natalia P. Ivleva; Reinhard Niessner","Extreme Differences in Oxidation States: Synthesis and Structural Analysis of the Germanide Oxometallates A10[Ge9]2[WO4] As Well As A10+x[Ge9]2[W1-xNbxO4] with A = K and Rb Containing [Ge9]4- Polyanions","Inorganic Chemistry","2012","51","","4058","4065","10.1021/ic202234b","","","0.71073","MoKα","","0.0727","0.065","","","0.1589","0.1651","","","","","","1.07","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328757","13.9079","0.001","15.9085","0.0012","17.3829","0.0013","90","","90.05","0.006","90","","3846","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ge18 K10.36 Nb0.36 O4 W0.64 -","- Ge18 K10.362 Nb0.362 O4 W0.638 -","- Ge72 K41.448 Nb1.448 O16 W2.552 -","4","1","","Viktor Hlukhyy; Thomas F. Fässler; Siméon Ponou; Sven Lidin; Natalia P. Ivleva; Reinhard Niessner","Extreme Differences in Oxidation States: Synthesis and Structural Analysis of the Germanide Oxometallates A10[Ge9]2[WO4] As Well As A10+x[Ge9]2[W1-xNbxO4] with A = K and Rb Containing [Ge9]4- Polyanions","Inorganic Chemistry","2012","51","","4058","4065","10.1021/ic202234b","","","0.71073","MoKα","","0.0828","0.0743","","","0.1819","0.1898","","","","","","1.086","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328758","14.361","0.003","16.356","0.003","17.839","0.004","90","","90.01","0.03","90","","4190.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ge18 Nb0.35 O4 Rb10.35 W0.65 -","- Ge18 Nb0.352 O4 Rb10.352 W0.648 -","- Ge72 Nb1.408 O16 Rb41.408 W2.592 -","4","1","","Viktor Hlukhyy; Thomas F. Fässler; Siméon Ponou; Sven Lidin; Natalia P. Ivleva; Reinhard Niessner","Extreme Differences in Oxidation States: Synthesis and Structural Analysis of the Germanide Oxometallates A10[Ge9]2[WO4] As Well As A10+x[Ge9]2[W1-xNbxO4] with A = K and Rb Containing [Ge9]4- Polyanions","Inorganic Chemistry","2012","51","","4058","4065","10.1021/ic202234b","","","0.71073","MoKα","","0.1392","0.1117","","","0.2672","0.2899","","","","","","1.08","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328759","14.361","0.003","16.356","0.003","17.839","0.004","90","","90.01","0.03","90","","4190.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ge18 Nb0.34 O4 Rb10.34 W0.66 -","- Ge18 Nb0.343 O4 Rb10.343 W0.657 -","- Ge72 Nb1.372 O16 Rb41.372 W2.628 -","4","1","","Viktor Hlukhyy; Thomas F. Fässler; Siméon Ponou; Sven Lidin; Natalia P. Ivleva; Reinhard Niessner","Extreme Differences in Oxidation States: Synthesis and Structural Analysis of the Germanide Oxometallates A10[Ge9]2[WO4] As Well As A10+x[Ge9]2[W1-xNbxO4] with A = K and Rb Containing [Ge9]4- Polyanions","Inorganic Chemistry","2012","51","","4058","4065","10.1021/ic202234b","","","0.71073","MoKα","","0.1495","0.1212","","","0.2937","0.3191","","","","","","1.056","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328760","13.8979","0.0002","15.539","0.0003","17.4007","0.0003","90","","90.188","0.001","90","","3757.83","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ge18 K10 O4 W -","- Ge18 K10 O4 W -","- Ge72 K40 O16 W4 -","4","1","","Viktor Hlukhyy; Thomas F. Fässler; Siméon Ponou; Sven Lidin; Natalia P. Ivleva; Reinhard Niessner","Extreme Differences in Oxidation States: Synthesis and Structural Analysis of the Germanide Oxometallates A10[Ge9]2[WO4] As Well As A10+x[Ge9]2[W1-xNbxO4] with A = K and Rb Containing [Ge9]4- Polyanions","Inorganic Chemistry","2012","51","","4058","4065","10.1021/ic202234b","","","0.71073","MoKα","","0.0885","0.0832","","","0.2149","0.2188","","","","","","1.04","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328761","11.17374","0.00016","41.2997","0.0005","12.37007","0.00019","90","","106.557","0.0015","90","","5471.76","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H48 N12 Ni2 S29 Sb18 -","- C72 H48 N12 Ni2 S29 Sb18 -","- C144 H96 N24 Ni4 S58 Sb36 -","2","1","","Ke-Zhao Du; Mei-Ling Feng; Long-Hua Li; Bing Hu; Zu-Ju Ma; Peng Wang; Jian-Rong Li; Yu-Long Wang; Guo-Dong Zou; Xiao-Ying Huang","[Ni(phen)~3~]~2~Sb~18~S~29~: A Novel Three-Dimensional Framework Thioantimonate(III) Templated by [Ni(phen)~3~] Complexes","Inorganic Chemistry","2012","51","","3926","3928","10.1021/ic202246q","","","0.71073","MoKα","","0.0326","0.0304","","","0.0716","0.0729","","","","","","1.024","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328762","6.6275","0.0013","6.6706","0.0013","11.393","0.002","91.06","0.03","94.5","0.03","93.12","0.03","501.25","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- B6 H2 O13 Sr3 -","- B6 H2 O13 Sr3 -","- B12 H4 O26 Sr6 -","2","1","","Carla Heyward; Colin McMillen; Joseph Kolis","Hydrothermal Synthesis and Crystal Structure of Two New Hydrated Alkaline Earth Metal Borates Sr3B6O11(OH)2 and Ba3B6O11(OH)2","Inorganic Chemistry","2012","51","","3956","3962","10.1021/ic202316t","","","0.71073","MoKα","","0.0316","0.0273","","","0.0612","0.0631","","","","","","1.11","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328763","6.958","0.0014","7.024","0.0014","11.346","0.002","90","","90.1","0.03","90","","554.51","0.18","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- B6 Ba3 H2 O13 -","- B6 Ba3 H2 O13 -","- B12 Ba6 H4 O26 -","2","1","","Carla Heyward; Colin McMillen; Joseph Kolis","Hydrothermal Synthesis and Crystal Structure of Two New Hydrated Alkaline Earth Metal Borates Sr3B6O11(OH)2 and Ba3B6O11(OH)2","Inorganic Chemistry","2012","51","","3956","3962","10.1021/ic202316t","","","0.71073","MoKα","","0.0243","0.0237","","","0.0563","0.0565","","","","","","1.117","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328764","6.4093","0.0013","8.2898","0.0017","9.3656","0.0019","90","","101.51","0.03","90","","487.6","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 F2 O11 Sr3 -","- B6 F2 O11 Sr3 -","- B12 F4 O22 Sr6 -","2","1","","Colin D. McMillen; Jared T. Stritzinger; Joseph W. Kolis","Two Novel Acentric Borate Fluorides: M3B6O11F2 (M = Sr, Ba)","Inorganic Chemistry","2012","51","","3953","3955","10.1021/ic202318b","","","0.71073","MoKα","","0.0251","0.023","","","0.0482","0.0492","","","","","","0.972","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328765","6.5572","0.0013","8.5107","0.0017","9.6726","0.0019","90","","101.21","0.03","90","","529.49","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 Ba3 F2 O11 -","- B6 Ba3 F2 O11 -","- B12 Ba6 F4 O22 -","2","1","","Colin D. McMillen; Jared T. Stritzinger; Joseph W. Kolis","Two Novel Acentric Borate Fluorides: M3B6O11F2 (M = Sr, Ba)","Inorganic Chemistry","2012","51","","3953","3955","10.1021/ic202318b","","","0.71073","MoKα","","0.0402","0.0397","","","0.0946","0.0954","","","","","","1.069","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328766","12.1919","0.0017","15.644","0.002","16.615","0.002","112.696","0.001","108.561","0.002","98.826","0.002","2629.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Thorium 1,2-Phenyldiphosphonate cluster","","","- C36 H24 N9 O90 P12 Th6 Tl3 -","- C36 H24 N9 O90 P12 Th6 Tl3 -","- C36 H24 N9 O90 P12 Th6 Tl3 -","1","0.5","","Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt","Periodic Trends in Hexanuclear Actinide Clusters","Inorganic Chemistry","2012","51","","4088","4093","10.1021/ic2023242","","","0.71073","MoKα","","0.0554","0.0385","","","0.0742","0.0788","","","","","","0.825","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328767","17.1998","0.0007","17.1998","0.0007","17.1998","0.0007","97.14","","97.14","","97.14","","4958.9","0.3","100","2","100","2","","","","","","","","7","R -3 :R","-P 3*","148","neptunium 1,2-Phenyldiphosphonate cluster","","","- C72 H30 N32.11 Np12 O159 P24 Rb3.89 -","- C72 H48 N32.1 Np12 O159 P24 Rb3.9 -","- C72 H48 N32.1 Np12 O159 P24 Rb3.9 -","1","0.166667","","Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt","Periodic Trends in Hexanuclear Actinide Clusters","Inorganic Chemistry","2012","51","","4088","4093","10.1021/ic2023242","","","0.71073","MoKα","","0.0499","0.0368","","","0.1022","0.1106","","","","","","1.018","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328768","17.253","0.003","17.253","0.003","17.253","0.003","97.55","","97.55","","97.55","","4988.9","1.5","100","2","100","2","","","","","","","","7","R -3 :R","-P 3*","148","uranium 1,2-Phenyldiphosphonate cluster","","","- C36 H24 Cs4 N16 O79 P12 U6 -","- C36 H24 Cs4 N14.2 O80.8 P12 U6 -","- C72 H48 Cs8 N28.4 O161.6 P24 U12 -","2","0.333333","","Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt","Periodic Trends in Hexanuclear Actinide Clusters","Inorganic Chemistry","2012","51","","4088","4093","10.1021/ic2023242","","","0.71073","MoKα","","0.0627","0.0469","","","0.1249","0.1345","","","","","","1.02","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328769","17.059","0.013","17.109","0.013","18.689","0.012","96.468","0.014","100.378","0.018","103.749","0.01","5142","6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","uranium 1,2-Phenyldiphosphonate cluster","","","- C72 H48 Cs2 N22 O174 P24 U12 -","- C72 H48 Cs2 N22 O138 P24 U12 -","- C72 H48 Cs2 N22 O138 P24 U12 -","1","0.5","","Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt","Periodic Trends in Hexanuclear Actinide Clusters","Inorganic Chemistry","2012","51","","4088","4093","10.1021/ic2023242","","","0.71073","MoKα","","0.0943","0.0536","","","0.1217","0.1335","","","","","","0.994","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328770","11.2244","0.0003","12.2378","0.0003","27.7006","0.0007","90","","93.708","0.001","90","","3797.04","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Fe N4 O3 P2 -","- C44 H38 Fe N4 O3 P2 -","- C176 H152 Fe4 N16 O12 P8 -","4","1","","Shih-Wey Yeh; Chih-Wei Lin; Ya-Wen Li; I-Jui Hsu; Chien-Hong Chen; Ling-Yun Jang; Jyh-Fu Lee; Wen-Feng Liaw","Insight into the Dinuclear {Fe(NO)2}10{Fe(NO)2}10 and Mononuclear {Fe(NO)2}10 Dinitrosyliron Complexes","Inorganic Chemistry","2012","51","","4076","4087","10.1021/ic202332d","","","0.71073","MoKα","","0.0371","0.0304","","","0.0791","0.0847","","","","","","1.046","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328771","20.7472","0.0004","14.1277","0.0003","28.1653","0.0005","90","","97.098","0.001","90","","8192.3","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C82 H83 Fe2 N6 O4.5 P4 S2 -","- C82 H83 Fe2 N6 O4.5 P4 S2 -","- C328 H332 Fe8 N24 O18 P16 S8 -","4","1","","Shih-Wey Yeh; Chih-Wei Lin; Ya-Wen Li; I-Jui Hsu; Chien-Hong Chen; Ling-Yun Jang; Jyh-Fu Lee; Wen-Feng Liaw","Insight into the Dinuclear {Fe(NO)2}10{Fe(NO)2}10 and Mononuclear {Fe(NO)2}10 Dinitrosyliron Complexes","Inorganic Chemistry","2012","51","","4076","4087","10.1021/ic202332d","","","0.71073","MoKα","","0.0744","0.055","","","0.1651","0.1773","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328772","21.638","0.003","10.736","0.0017","20.609","0.003","90","","104.132","0.003","90","","4642.7","1.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 Fe K2 N2 O14 S2 -","- C28 H58 Fe K2 N2 O14 S2 -","- C112 H232 Fe4 K8 N8 O56 S8 -","4","1","","Shih-Wey Yeh; Chih-Wei Lin; Ya-Wen Li; I-Jui Hsu; Chien-Hong Chen; Ling-Yun Jang; Jyh-Fu Lee; Wen-Feng Liaw","Insight into the Dinuclear {Fe(NO)2}10{Fe(NO)2}10 and Mononuclear {Fe(NO)2}10 Dinitrosyliron Complexes","Inorganic Chemistry","2012","51","","4076","4087","10.1021/ic202332d","","","0.71073","MoKα","","0.1401","0.0557","","","0.1","0.1195","","","","","","0.809","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328773","45.214","0.005","45.214","0.005","45.214","0.005","90","","90","","90","","92431","18","173","2","173","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C120 H258 Cl12 N48 Ni6 O125 P8 -","- C120 H120 Cl12 N48 Ni6 O129.39 P8 -","- C1920 H1920 Cl192 N768 Ni96 O2070.24 P128 -","16","0.333333","","Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong","Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand","Inorganic Chemistry","2012","51","","4116","4122","10.1021/ic202373a","","","0.7","MoKα","","0.088","0.0856","","","0.2432","0.2498","","","","","","1.028","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328774","45.317","0.005","45.317","0.005","45.317","0.005","90","","90","","90","","93064","18","173","2","173","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C120 H120 Cl12 Co6 N48 O68 P8 -","- C120 H120 Cl12 Co6 N48 O68 P8 -","- C1920 H1920 Cl192 Co96 N768 O1088 P128 -","16","0.333333","","Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong","Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand","Inorganic Chemistry","2012","51","","4116","4122","10.1021/ic202373a","","","0.71073","MoKα","","0.0974","0.0955","","","0.2964","0.3061","","","","","","1.013","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328775","45.239","0.002","45.239","0.002","45.239","0.002","90","","90","","90","","92585","7","298","2","298","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C120 H120 N48 O20 P8 Zn6 -","- C120 H120 N48 O20 P8 Zn6 -","- C1920 H1920 N768 O320 P128 Zn96 -","16","0.333333","","Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong","Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand","Inorganic Chemistry","2012","51","","4116","4122","10.1021/ic202373a","","","0.71073","MoKα","","0.1","0.093","","","0.2661","0.2756","","","","","","1.07","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328776","45.702","0.0006","45.702","0.0006","45.702","0.0006","90","","90","","90","","95457","2","298","2","298","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C120 H120 Cd6 N48 O20 P8 -","- C120 H120 Cd6 N48 O20 P8 -","- C1920 H1920 Cd96 N768 O320 P128 -","16","0.333333","","Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong","Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand","Inorganic Chemistry","2012","51","","4116","4122","10.1021/ic202373a","","","0.71073","MoKα","","0.0806","0.0734","","","0.2162","0.2258","","","","","","1.009","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328777","20.9346","0.0019","20.9346","0.0019","28.252","0.004","90","","90","","90","","12382","2","293","2","293","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C120 H48 Cl12 N48 O28 P8 Pd6 -","- C120 H48 Cl12 N48 O28 P8 Pd6 -","- C240 H96 Cl24 N96 O56 P16 Pd12 -","2","0.0625","","Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong","Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand","Inorganic Chemistry","2012","51","","4116","4122","10.1021/ic202373a","","","0.71073","MoKα","","0.0941","0.0803","","","0.2607","0.2764","","","","","","1.039","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328778","15.504","0.001","16.4391","0.0011","21.5466","0.0014","90","","109.122","0.001","90","","5188.6","0.6","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H27 F6 Ir N4 O7 S2 -","- C40 H27 F6 Ir N4 O7 S2 -","- C160 H108 F24 Ir4 N16 O28 S8 -","4","1","","Yong-Jun Yuan; Ji-Yuan Zhang; Zhen-Tao Yu; Jian-Yong Feng; Wen-Jun Luo; Jin-Hua Ye; Zhi-Gang Zou","Impact of Ligand Modification on Hydrogen Photogeneration and Light-Harvesting Applications Using Cyclometalated Iridium Complexes","Inorganic Chemistry","2012","51","","4123","4133","10.1021/ic202423y","","","0.71073","MoKα","","0.0721","0.0487","","","0.1115","0.122","","","","","","1.091","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328779","15.59","0.003","13.615","0.003","18.65","0.004","90","","96.07","0.03","90","","3936.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 Ir N4 O8 S2 -","- C40 H35 Ir N4 O8 S2 -","- C160 H140 Ir4 N16 O32 S8 -","4","1","","Yong-Jun Yuan; Ji-Yuan Zhang; Zhen-Tao Yu; Jian-Yong Feng; Wen-Jun Luo; Jin-Hua Ye; Zhi-Gang Zou","Impact of Ligand Modification on Hydrogen Photogeneration and Light-Harvesting Applications Using Cyclometalated Iridium Complexes","Inorganic Chemistry","2012","51","","4123","4133","10.1021/ic202423y","","","0.71073","MoKα","","0.1151","0.0637","","","0.1489","0.1698","","","","","","1.004","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328780","13.592","0.003","13.945","0.003","23.985","0.005","90","","90","","90","","4546.1","1.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 F6 Ir N4 O8 S2 -","- C42 H33 F6 Ir N4 O8 S2 -","- C168 H132 F24 Ir4 N16 O32 S8 -","4","1","","Yong-Jun Yuan; Ji-Yuan Zhang; Zhen-Tao Yu; Jian-Yong Feng; Wen-Jun Luo; Jin-Hua Ye; Zhi-Gang Zou","Impact of Ligand Modification on Hydrogen Photogeneration and Light-Harvesting Applications Using Cyclometalated Iridium Complexes","Inorganic Chemistry","2012","51","","4123","4133","10.1021/ic202423y","","","0.71073","MoKα","","0.1022","0.0745","","","0.1901","0.2487","","","","","","1.035","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328781","13.83","0.004","23.109","0.005","17.037","0.004","90","","107.77","0.03","90","","5185","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C82 H102 Cl2 Mn5 N9 O34 Tm5 -","- C82 H100 Cl2 Mn5 N9 O34 Tm5 -","- C164 H200 Cl4 Mn10 N18 O68 Tm10 -","2","0.5","","Kirstin Hallier; Małgorzata Hołyńska; Mathieu Rouzières; Rodolphe Clérac; Stefanie Dehnen","Structure and Properties of New Mixed-Valent [MnIII2MnIV3LnIII5O5] Complexes (LnIII= TmIII, LuIII, and YbIII)","Inorganic Chemistry","2012","51","","3929","3931","10.1021/ic202443u","","","0.71073","MoKα","","0.1544","0.0743","","","0.1503","0.2032","","","","","","1.049","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328782","13.797","0.004","22.994","0.005","16.92","0.004","90","","107.62","0.03","90","","5116","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C82 H102 Cl2 Lu5 Mn5 N9 O34 -","- C82 H99 Cl2 Lu5 Mn5 N9 O34 -","- C164 H198 Cl4 Lu10 Mn10 N18 O68 -","2","0.5","","Kirstin Hallier; Małgorzata Hołyńska; Mathieu Rouzières; Rodolphe Clérac; Stefanie Dehnen","Structure and Properties of New Mixed-Valent [MnIII2MnIV3LnIII5O5] Complexes (LnIII= TmIII, LuIII, and YbIII)","Inorganic Chemistry","2012","51","","3929","3931","10.1021/ic202443u","","","0.71073","MoKα","","0.3381","0.0842","","","0.1341","0.2275","","","","","","0.731","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328783","16.5464","0.0006","11.3534","0.0004","17.6697","0.0007","90","","115.53","0.001","90","","2995.29","0.19","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N4 O4 Pd -","- C36 H28 N4 O4 Pd -","- C144 H112 N16 O16 Pd4 -","4","1","","Hidetoshi Goto; Teppei Hayakawa; Kanako Furutachi; Hiroshi Sugimoto; Shohei Inoue","Planar-Chiral Metal Complexes Comprised of Square-Planar Metal and Achiral Tetradentate Ligands: Design, Optical Resolution, and Thermodynamics","Inorganic Chemistry","2012","51","","4134","4142","10.1021/ic2024742","","","0.71073","MoKα","","0.0353","0.0308","","","0.0783","0.0812","","","","","","0.998","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328784","17.2271","0.0008","10.1016","0.0005","17.9361","0.0009","90","","105.631","0.001","90","","3005.8","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Cl2 N4 O2 Pd -","- C35 H30 Cl2 N4 O2 Pd -","- C140 H120 Cl8 N16 O8 Pd4 -","4","1","","Hidetoshi Goto; Teppei Hayakawa; Kanako Furutachi; Hiroshi Sugimoto; Shohei Inoue","Planar-Chiral Metal Complexes Comprised of Square-Planar Metal and Achiral Tetradentate Ligands: Design, Optical Resolution, and Thermodynamics","Inorganic Chemistry","2012","51","","4134","4142","10.1021/ic2024742","","","0.71073","MoKα","","0.0349","0.0276","","","0.0766","0.0816","","","","","","0.633","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328785","10.4495","0.0001","10.4495","0.0001","10.4495","0.0001","90","","90","","90","","1141","0.019","90","","90","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al10.32 Si35.62 Sr8 -","- Al10.3258 Si35.616 Sr8 -","- Al10.3258 Si35.616 Sr8 -","1","0.0208333","","John H. Roudebush; Naohito Tsujii; Antonio Hurtando; Håkon Hope; Yuri Grin; Susan M. Kauzlarich","Phase Range of the Type-I Clathrate Sr8AlxSi46-x and Crystal Structure of Sr8Al10Si36","Inorganic Chemistry","2012","51","","4161","4169","10.1021/ic2024814","","","0.71073","MoKα","","0.046","0.0278","","","0.0483","0.0522","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328786","10.5148","0.0001","10.5148","0.0001","10.5148","0.0001","90","","90","","90","","1162.53","0.019","90","","90","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al9.98 Ba7.96 Si35.95 -","- Al9.9734 Ba7.9628 Si35.96 -","- Al9.9734 Ba7.9628 Si35.96 -","1","0.0208333","","John H. Roudebush; Naohito Tsujii; Antonio Hurtando; Håkon Hope; Yuri Grin; Susan M. Kauzlarich","Phase Range of the Type-I Clathrate Sr8AlxSi46-x and Crystal Structure of Sr8Al10Si36","Inorganic Chemistry","2012","51","","4161","4169","10.1021/ic2024814","","","0.71073","MoKα","","0.0309","0.0234","","","0.0463","0.0484","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328787","12.8509","0.0012","14.133","0.0017","16.3133","0.0019","85.84","0.009","70.978","0.006","79.046","0.008","2749.8","0.5","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H74 I2 N4 O8 Si2 Yb2 -","- C39 H74 I2 N4 O8 Si2 Yb2 -","- C78 H148 I4 N8 O16 Si4 Yb4 -","2","1","","Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen","Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions","Inorganic Chemistry","2012","51","","4151","4160","10.1021/ic202505d","","","0.7107","MoKα","","0.0953","0.0668","","","0.1347","0.149","","","","","","1.117","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328788","13.754","0.003","28.613","0.005","14.661","0.003","90","","104.944","0.003","90","","5574.6","1.9","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C84 H144 Eu2 I4 Li6 N8 O13 Si4 -","- C84 H68 Eu2 I4 Li6 N8 O13 Si4 -","- C168 H136 Eu4 I8 Li12 N16 O26 Si8 -","2","0.5","","Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen","Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions","Inorganic Chemistry","2012","51","","4151","4160","10.1021/ic202505d","","","0.71075","MoKα","","0.0875","0.0759","","","0.1773","0.1845","","","","","","1.196","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328789","21.584","0.002","10.4967","0.001","27.416","0.003","90","","90","","90","","6211.4","1.1","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H84 Eu2 N8 O2 Si4 -","- C54 H84 Eu2 N8 O2 Si4 -","- C216 H336 Eu8 N32 O8 Si16 -","4","1","","Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen","Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions","Inorganic Chemistry","2012","51","","4151","4160","10.1021/ic202505d","","","0.71075","MoKα","","0.0986","0.0729","","","0.116","0.1299","","","","","","1.111","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328790","12.2179","0.0017","17.655","0.003","19.573","0.003","100.466","0.003","96.474","0.003","101.437","0.004","4020.6","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H112 N12 Si4 Yb2 -","- C72 H112 N12 Si4 Yb2 -","- C144 H224 N24 Si8 Yb4 -","2","1","","Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen","Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions","Inorganic Chemistry","2012","51","","4151","4160","10.1021/ic202505d","","","0.71075","MoKα","","0.1608","0.1038","","","0.1295","0.1502","","","","","","1.167","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328791","11.5883","0.0003","12.6874","0.0005","19.09","0.0009","83.044","0.004","77.366","0.004","67.269","0.003","2523.95","0.18","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H70 N6 Si2 Yb -","- C49 H70 N6 Si2 Yb -","- C98 H140 N12 Si4 Yb2 -","2","1","","Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen","Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions","Inorganic Chemistry","2012","51","","4151","4160","10.1021/ic202505d","","","0.71075","MoKα","","0.0406","0.0368","","","0.0699","0.0721","","","","","","1.047","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328792","12.8252","0.0013","20.067","0.002","20.247","0.002","90","","90","","90","","5210.8","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H74 N6 Si2 Yb -","- C51 H74 N6 Si2 Yb -","- C204 H296 N24 Si8 Yb4 -","4","1","","Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen","Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions","Inorganic Chemistry","2012","51","","4151","4160","10.1021/ic202505d","","","0.71075","MoKα","","0.1104","0.0904","","","0.1435","0.1583","","","","","","1.135","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328793","18.1496","0.0011","19.5083","0.0012","19.5087","0.0013","90","","92.055","0.003","90","","6903","0.8","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 F6 N2 P4 Pd -","- C38 H32 F6 N2 P4 Pd -","- C304 H256 F48 N16 P32 Pd8 -","8","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0593","0.0409","","0.1113","0.0999","0.1113","","","","","","0.9646","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328794","14.3494","0.0009","19.5879","0.0013","16.6704","0.001","90","","90.07","0.003","90","","4685.6","0.5","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H57 F6 N2 O2 P5 Pd -","- C49 H57 F6 N2 O2 P5 Pd -","- C196 H228 F24 N8 O8 P20 Pd4 -","4","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0312","0.03","","0.0812","0.0763","0.0812","","","","","","1.0375","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328795","11.3985","0.0003","13.0341","0.0003","19.9056","0.0005","90.431","0.001","95.735","0.001","106.029","0.001","2826.25","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H27.5 F3 N O0.5 P2.5 Pt0.5 -","- C30 H27.5 F3 N O0.5 P2.5 Pt0.5 -","- C120 H110 F12 N4 O2 P10 Pt2 -","4","2","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.034","0.0269","","0.0573","0.0558","0.0573","","","","","","0.9667","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328796","14.0985","0.0007","20.2454","0.0011","15.8618","0.0008","90","","90.001","0.002","90","","4527.4","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Cl4 F6 N2 P5 Pt -","- C43 H45 Cl4 F6 N2 P5 Pt -","- C172 H180 Cl16 F24 N8 P20 Pt4 -","4","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.036","0.0287","","0.0721","0.0681","0.0721","","","","","","1.0049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328797","9.4301","0.0005","13.3402","0.0007","20.3562","0.0014","103.872","0.004","93.64","0.004","109.037","0.003","2322","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl4.5 N P1.5 Pd0.5 -","- C21 H20 Cl4.5 N P1.5 Pd0.5 -","- C84 H80 Cl18 N4 P6 Pd2 -","4","2","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0758","0.0556","","0.152","0.1443","0.152","","","","","","0.9998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328798","11.8663","0.0013","10.6254","0.0011","16.7653","0.0019","90","","104.561","0.005","90","","2045.9","0.4","120","","120","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C50 H44 Br N2 P3 Pt -","- C50 H44 Br N2 P3 Pt -","- C100 H88 Br2 N4 P6 Pt2 -","2","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0166","0.0157","","0.0396","0.0391","0.0396","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328799","18.314","0.0012","19.3791","0.0013","19.4488","0.0013","90","","91.421","0.004","90","","6900.4","0.8","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H64 F12 N4 P8 Pt2 -","- C76 H64 F12 N4 P8 Pt2 -","- C304 H256 F48 N16 P32 Pt8 -","4","0.5","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0715","0.0449","","0.1042","0.0946","0.1042","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328800","18.5346","0.001","20.0392","0.001","21.4771","0.0011","90","","94.378","0.003","90","","7953.7","0.7","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Br1.5 N2 P3 Pt1.5 -","- C38 H32 Br1.5 N2 P3 Pt1.5 -","- C304 H256 Br12 N16 P24 Pt12 -","8","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0437","0.0312","","0.0842","0.0777","0.0842","","","","","","0.9939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328801","18.6542","0.0008","19.9824","0.0008","22.1057","0.001","90","","95.387","0.002","90","","8203.6","0.6","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 I1.5 N2 P3 Pt1.5 -","- C38 H32 I1.5 N2 P3 Pt1.5 -","- C304 H256 I12 N16 P24 Pt12 -","8","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0452","0.0321","","0.0831","0.0756","0.0831","","","","","","1.0181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328802","14.3153","0.0008","14.7131","0.0007","20.2565","0.0009","90","","95.904","0.002","90","","4243.8","0.4","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H39 Cl4 I2 N2 P3 Pd -","- C41 H39 Cl4 I2 N2 P3 Pd -","- C164 H156 Cl16 I8 N8 P12 Pd4 -","4","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0292","0.0226","","0.0631","0.0588","0.0631","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328803","9.0478","0.0005","10.4295","0.0005","21.9895","0.0009","90","","97.486","0.003","90","","2057.33","0.17","120","","120","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C40 H37 Cl2 F6 I N2 P4 Pt -","- C40 H37 Cl2 F6 I N2 P4 Pt -","- C80 H74 Cl4 F12 I2 N4 P8 Pt2 -","2","1","","Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls","Inorganic Chemistry","2012","51","","4170","4179","10.1021/ic202581v","","","0.71073","MoKα","","0.0587","0.051","","0.1163","0.114","0.1163","","","","","","1.0103","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328804","11.84","0.002","12.99","0.003","26.731","0.005","89.81","0.03","84.66","0.03","67.14","0.03","3769.5","1.6","250","2","250","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H66 B2 Cl6 F4 N8 O2 Sn -","- C84 H66 B2 Cl6 F4 N8 O2 Sn -","- C168 H132 B4 Cl12 F8 N16 O4 Sn2 -","2","1","","Theodore Lazarides; Susanne Kuhri; Georgios Charalambidis; Manas K. Panda; Dirk M. Guldi; Athanassios G. Coutsolelos","Electron vs Energy Transfer in Arrays Featuring Two Bodipy Chromophores Axially Bound to a Sn(IV) Porphyrin via a Phenolate or Benzoate Bridge","Inorganic Chemistry","2012","51","","4193","4204","10.1021/ic2026472","","","0.71073","MoKα","","0.0742","0.0461","","","0.1058","0.1143","","","","","","1.03","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328805","11.081","0.002","11.231","0.002","11.729","0.002","96.28","0.03","114.24","0.03","100.89","0.03","1278.2","0.6","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H40 Cl6 N4 O2 Sn -","- C58 H40 Cl6 N4 O2 Sn -","- C58 H40 Cl6 N4 O2 Sn -","1","0.5","","Theodore Lazarides; Susanne Kuhri; Georgios Charalambidis; Manas K. Panda; Dirk M. Guldi; Athanassios G. Coutsolelos","Electron vs Energy Transfer in Arrays Featuring Two Bodipy Chromophores Axially Bound to a Sn(IV) Porphyrin via a Phenolate or Benzoate Bridge","Inorganic Chemistry","2012","51","","4193","4204","10.1021/ic2026472","","","0.71073","MoKα","","0.0772","0.0529","","","0.1123","0.1228","","","","","","0.995","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328806","9.788","0.002","25.387","0.005","16.808","0.003","90","","97.15","0.03","90","","4144.1","1.4","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H80 B2 F4 N8 O4 Sn -","- C98 H80 B2 F4 N8 O4 Sn -","- C196 H160 B4 F8 N16 O8 Sn2 -","2","0.5","","Theodore Lazarides; Susanne Kuhri; Georgios Charalambidis; Manas K. Panda; Dirk M. Guldi; Athanassios G. Coutsolelos","Electron vs Energy Transfer in Arrays Featuring Two Bodipy Chromophores Axially Bound to a Sn(IV) Porphyrin via a Phenolate or Benzoate Bridge","Inorganic Chemistry","2012","51","","4193","4204","10.1021/ic2026472","","","0.71073","MoKα","","0.1462","0.0486","","","0.0844","0.1041","","","","","","0.804","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328807","10.0904","0.0005","15.3859","0.0007","17.5882","0.0008","90","","90","","90","","2730.6","0.2","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dicaesium triplatinum(II) uranium(IV) selenide","","- Cs2 Pt3 Se6 U -","- Cs2 Pt3 Se6 U -","- Cs16 Pt24 Se48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0222","0.0198","","","0.0386","0.0391","","","","","","1.282","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328808","9.7924","0.0008","14.8937","0.0008","17.0164","0.0015","90","","90","","90","","2481.8","0.3","101","2","101","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- Cs2 Pt3 S6 U -","- Cs2 Pt3 S6 U -","- Cs16 Pt24 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0275","0.0259","","","0.0661","0.0664","","","","","","1.667","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328809","10.1034","0.0005","15.5046","0.0008","17.5503","0.0008","90","","90","","90","","2749.2","0.2","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dicaesium tripalladium(II) uranium(IV) selenide","","- Cs2 Pd3 Se6 U -","- Cs2 Pd3 Se6 U -","- Cs16 Pd24 Se48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0209","0.0194","","","0.0541","0.0545","","","","","","1.464","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328810","9.7874","0.0004","15.0077","0.0004","16.9773","0.0007","90","","90","","90","","2493.73","0.16","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dicaesium tripalladium(II) uranium(IV) sulfide","","- Cs2 Pd3 S6 U -","- Cs2 Pd3 S6 U -","- Cs16 Pd24 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0259","0.0247","","","0.0626","0.0629","","","","","","1.269","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328811","10.0467","0.0001","14.7861","0.0001","17.4663","0.0002","90","","90","","90","","2594.65","0.04","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dirubidium triplatinum(II) uranium(IV) selenide","","- Pt3 Rb2 Se6 U -","- Pt3 Rb2 Se6 U -","- Pt24 Rb16 Se48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0247","0.0194","","","0.0375","0.0386","","","","","","1.201","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328812","9.7554","0.001","14.2286","0.001","16.8974","0.0019","90","","90","","90","","2345.5","0.4","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dirubidium triplatinum(II) uranium(IV) sulfide","","- Pt3 Rb2 S6 U -","- Pt3 Rb2 S6 U -","- Pt24 Rb16 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0158","0.0155","","","0.0434","0.0434","","","","","","2.072","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328813","10.0525","0.0003","14.8432","0.0005","17.4127","0.0005","90","","90","","90","","2598.17","0.14","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dirubidium tripalladium(II) uranium(IV) selenide","","- Pd3 Rb2 Se6 U -","- Pd3 Rb2 Se6 U -","- Pd24 Rb16 Se48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0215","0.0214","","","0.0656","0.0656","","","","","","2.121","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328814","9.7462","0.0002","14.3306","0.0002","16.8572","0.0003","90","","90","","90","","2354.43","0.07","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dirubidium tripalladium(II) uranium(IV) sulfide","","- Pd3 Rb2 S6 U -","- Pd3 Rb2 S6 U -","- Pd24 Rb16 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0254","0.0236","","","0.0587","0.0591","","","","","","1.458","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328815","9.7256","0.0005","13.8721","0.0006","16.7541","0.0008","90","","90","","90","","2260.37","0.19","89","2","89","2","","","","","","","","4","F m m m","-F 2 2","69","","Dipotassium tripalladium(II) uranium(IV) sulfide","","- K2 Pd3 S6 U -","- K2 Pd3 S6 U -","- K16 Pd24 S48 U8 -","8","0.25","","George N. Oh; Eun Sang Choi; James A. Ibers","Syntheses and Characterization of Nine Quaternary Uranium Chalcogenides Among the Compounds A2M3UQ6 (A = K, Rb, Cs; M = Pd, Pt; Q = S, Se)","Inorganic Chemistry","2012","51","","4224","4230","10.1021/ic2027048","","","0.71073","MoKα","","0.0513","0.0501","","","0.1315","0.1327","","","","","","1.097","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328816","5.41509","0.00017","5.41509","","26.5844","0.0019","90","","90","","120","","675.1","0.05","300","","300","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Lanthanum Magnesium Nickel Deuteride","","- D13.09 La2 Mg Ni9 -","- D13.086 La2 Mg Ni9 -","- D39.258 La6 Mg3 Ni27 -","3","0.0833333","","Roman V. Denys; Volodymyr A. Yartys; Colin J. Webb","Hydrogen in La2MgNi9D13: The Role of Magnesium","Inorganic Chemistry","2012","51","","4231","4238","10.1021/ic202705u","powder diffraction","neutron","1.494","neutron","","","","","","","","0.01797","","3.04","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328817","18.6497","0.0015","18.6497","0.0015","12.7881","0.001","90","","90","","90","","4447.8","0.6","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- H50 O73 Se10 Th9 -","- O73 Se10 Th9 -","- O146 Se20 Th18 -","2","0.25","","Karah E. Knope; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV)-Selenate Clusters Containing an Octanuclear Th(IV) Hydroxide/Oxide Core","Inorganic Chemistry","2012","51","","4239","4249","10.1021/ic202706s","","","0.71073","MoKα","","0.0745","0.0529","","","0.1487","0.157","","","","","","1.086","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328818","9.2227","0.0006","13.1858","0.0009","25.1444","0.0017","97.32","0.001","94.989","0.001","109.788","0.001","2825.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- H52 O66.5 Se8 Th8 -","- O66.5 Se8 Th8 -","- O133 Se16 Th16 -","2","1","","Karah E. Knope; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV)-Selenate Clusters Containing an Octanuclear Th(IV) Hydroxide/Oxide Core","Inorganic Chemistry","2012","51","","4239","4249","10.1021/ic202706s","","","0.71073","MoKα","","0.0701","0.042","","","0.0778","0.0866","","","","","","0.978","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328819","12.8078","0.0012","13.1843","0.0012","25.061","0.002","83.364","0.001","89.53","0.001","71.266","0.001","3978.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- H42 O61 Se8 Th8 -","- O61 Se8 Th8 -","- O122 Se16 Th16 -","2","1","","Karah E. Knope; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV)-Selenate Clusters Containing an Octanuclear Th(IV) Hydroxide/Oxide Core","Inorganic Chemistry","2012","51","","4239","4249","10.1021/ic202706s","","","0.71073","MoKα","","0.0551","0.0372","","","0.0817","0.0866","","","","","","0.966","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328820","18.907","0.002","18.907","0.002","9.4886","0.0011","90","","90","","90","","3391.9","0.6","295","2","295","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- H50 O73 Se10 Th9 -","- O73 Se10 Th9 -","- O146 Se20 Th18 -","2","0.25","","Karah E. Knope; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV)-Selenate Clusters Containing an Octanuclear Th(IV) Hydroxide/Oxide Core","Inorganic Chemistry","2012","51","","4239","4249","10.1021/ic202706s","","","0.71073","MoKα","","0.0981","0.0636","","","0.1697","0.1884","","","","","","1.084","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328821","34.701","0.004","12.9196","0.0014","25.356","0.005","90","","131.065","0.001","90","","8571","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H39 Mn3 N2 O11 -","- C44 H39 Mn3 N2 O11 -","- C352 H312 Mn24 N16 O88 -","8","1","","Paramita Kar; Ritesh Haldar; Carlos J. Gómez-García; Ashutosh Ghosh","Antiferromagnetic Porous Metal-Organic Framework Containing Mixed-Valence [MnII4MnIII2(μ4-O)2]10+ Units with Catecholase Activity and Selective Gas Adsorption","Inorganic Chemistry","2012","51","","4265","4273","10.1021/ic2027362","","","0.71073","MoKα","","0.1116","0.0555","","","0.138","0.1705","","","","","","0.94","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328822","11.2224","0.0003","8.2587","0.0002","13.2628","0.0004","90","","99.245","0.001","90","","1213.26","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cu Mn0.5 N2 O10 S -","- C4 H14 Cu Mn0.5 N2 O10 S -","- C16 H56 Cu4 Mn2 N8 O40 S4 -","4","1","","Nadia Marino; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve","Synthesis, Structure, and Magnetic Properties of Regular Alternating μ-bpm/di-μ-X Copper(II) Chains (bpm = 2,2'-bipyrimidine; X = OH, F)","Inorganic Chemistry","2012","51","","4323","4334","10.1021/ic202740b","","","0.71073","MoKα","","0.0506","0.0347","","","0.1039","0.1149","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328823","13.3364","0.0008","8.2735","0.0008","14.9996","0.0013","90","","97.258","0.005","90","","1641.8","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Cu F3 N2 O3 Si0.5 -","- C4 H8 Cu F3 N2 O3 Si0.5 -","- C32 H64 Cu8 F24 N16 O24 Si4 -","8","1","","Nadia Marino; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve","Synthesis, Structure, and Magnetic Properties of Regular Alternating μ-bpm/di-μ-X Copper(II) Chains (bpm = 2,2'-bipyrimidine; X = OH, F)","Inorganic Chemistry","2012","51","","4323","4334","10.1021/ic202740b","","","0.71073","MoKα","","0.0257","0.023","","","0.0741","0.0784","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328824","8.0661","0.0001","7.6108","0.0002","10.0272","0.0002","90","","111.535","0.001","90","","572.59","0.02","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Cu F2 N2 O -","- C4 H5 Cu F2 N2 O -","- C16 H20 Cu4 F8 N8 O4 -","4","1","","Nadia Marino; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve","Synthesis, Structure, and Magnetic Properties of Regular Alternating μ-bpm/di-μ-X Copper(II) Chains (bpm = 2,2'-bipyrimidine; X = OH, F)","Inorganic Chemistry","2012","51","","4323","4334","10.1021/ic202740b","","","0.71073","MoKα","","0.0196","0.0183","","","0.0541","0.0547","","","","","","1.116","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328825","22.4518","0.0004","14.2483","0.0004","8.6925","0.0002","90","","106.161","0.001","90","","2670.85","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H26 Cu2 F2 N10 O13 -","- C16 H26 Cu2 F2 N10 O13 -","- C64 H104 Cu8 F8 N40 O52 -","4","1","","Nadia Marino; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve","Synthesis, Structure, and Magnetic Properties of Regular Alternating μ-bpm/di-μ-X Copper(II) Chains (bpm = 2,2'-bipyrimidine; X = OH, F)","Inorganic Chemistry","2012","51","","4323","4334","10.1021/ic202740b","","","0.71073","MoKα","","0.0283","0.0251","","","0.06","0.0612","","","","","","0.996","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328826","8.7312","0.0011","12.84","0.0017","13.682","0.0018","91.989","0.003","107.888","0.002","100.753","0.002","1427.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N10 O3 -","- C30 H30 N10 O3 -","- C60 H60 N20 O6 -","2","1","","Avijit Pramanik; Douglas R. Powell; Bryan M. Wong; Md. Alamgir Hossain","Spectroscopic, Structural, and Theoretical Studies of Halide Complexes with a Urea-Based Tripodal Receptor","Inorganic Chemistry","2012","51","","4274","4284","10.1021/ic202747q","","","0.71073","MoKα","","0.0699","0.0495","","","0.1166","0.1273","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328827","13.2509","0.0018","11.365","0.0016","19.471","0.002","90","","97.47","0.008","90","","2907.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Cl N10 O3 -","- C30 H31 Cl N10 O3 -","- C120 H124 Cl4 N40 O12 -","4","1","","Avijit Pramanik; Douglas R. Powell; Bryan M. Wong; Md. Alamgir Hossain","Spectroscopic, Structural, and Theoretical Studies of Halide Complexes with a Urea-Based Tripodal Receptor","Inorganic Chemistry","2012","51","","4274","4284","10.1021/ic202747q","","","0.71073","MoKα","","0.0827","0.0519","","","0.1083","0.1202","","","","","","1.01","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328828","13.2935","0.0019","11.3515","0.0017","19.928","0.003","90","","97.895","0.003","90","","2978.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Br N10 O3 -","- C30 H31 Br N10 O3 -","- C120 H124 Br4 N40 O12 -","4","1","","Avijit Pramanik; Douglas R. Powell; Bryan M. Wong; Md. Alamgir Hossain","Spectroscopic, Structural, and Theoretical Studies of Halide Complexes with a Urea-Based Tripodal Receptor","Inorganic Chemistry","2012","51","","4274","4284","10.1021/ic202747q","","","0.71073","MoKα","","0.0909","0.054","","","0.1037","0.115","","","","","","1.012","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328829","15.4907","0.0014","11.5343","0.0011","19.4685","0.0017","90","","96.061","0.002","90","","3459.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74.7 F6 N20 O12.35 Si -","- C60 H66 F6 N20 O12.354 Si -","- C120 H132 F12 N40 O24.708 Si2 -","2","0.5","","Avijit Pramanik; Douglas R. Powell; Bryan M. Wong; Md. Alamgir Hossain","Spectroscopic, Structural, and Theoretical Studies of Halide Complexes with a Urea-Based Tripodal Receptor","Inorganic Chemistry","2012","51","","4274","4284","10.1021/ic202747q","","","0.71073","MoKα","","0.0954","0.06","","","0.1408","0.1581","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328830","9.9985","0.0018","9.962","0.0017","6.7637","0.0012","90","","90","","90","","673.7","0.2","100","","100","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- As Eu Na S4 -","- As Eu Na S4 -","- As4 Eu4 Na4 S16 -","4","0.5","","Tarun K. Bera; Mercouri G. Kanatzidis","Na2EuAs2S5, NaEuAsS4, and Na4Eu(AsS4)2: Controlling the Valency of Arsenic in Polysulfide Fluxes","Inorganic Chemistry","2012","51","","4293","4299","10.1021/ic202781c","","","0.71073","MoKα","","0.0467","0.0376","","","0.0638","0.0661","","","","","","1.077","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328831","28.966","0.002","5.7085","0.0003","11.3641","0.0009","90","","101.27","0.006","90","","1842.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As4 Eu2 Na4 S10 -","- As4 Eu1.999 Na4 S10 -","- As16 Eu7.996 Na16 S40 -","4","1","","Tarun K. Bera; Mercouri G. Kanatzidis","Na2EuAs2S5, NaEuAsS4, and Na4Eu(AsS4)2: Controlling the Valency of Arsenic in Polysulfide Fluxes","Inorganic Chemistry","2012","51","","4293","4299","10.1021/ic202781c","","","0.71073","MoKα","","0.0648","0.0484","","","0.0805","0.0848","","","","","","1.218","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328832","17.819","0.002","9.5317","0.0011","16.9762","0.0019","90","","97.754","0.002","90","","2857","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H44 Cl2 Mo N P3 -","- C21 H44 Cl2 Mo N P3 -","- C84 H176 Cl8 Mo4 N4 P12 -","4","1","","Andrey Y. Khalimon; Oleg G. Shirobokov; Erik Peterson; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A.K. Howard; Georgii I. Nikonov","Mechanistic Aspects of Hydrosilylation Catalyzed by (ArN=)Mo(H)(Cl)(PMe3)3","Inorganic Chemistry","2012","51","","4300","4313","10.1021/ic300010c","","","0.71073","MoKα","","0.0997","0.0666","","","0.1189","0.1259","","","","","","1.169","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328833","12.6249","0.0011","19.6456","0.0017","13.7219","0.0012","90","","102.575","0.001","90","","3321.7","0.5","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H55 Cl Mo N O P3 -","- C27 H55 Cl Mo N O P3 -","- C108 H220 Cl4 Mo4 N4 O4 P12 -","4","1","","Andrey Y. Khalimon; Oleg G. Shirobokov; Erik Peterson; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A.K. Howard; Georgii I. Nikonov","Mechanistic Aspects of Hydrosilylation Catalyzed by (ArN=)Mo(H)(Cl)(PMe3)3","Inorganic Chemistry","2012","51","","4300","4313","10.1021/ic300010c","","","0.71073","MoKα","","0.0508","0.0433","","","0.1238","0.1262","","","","","","1.17","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328834","13.2443","0.0007","13.4391","0.0007","19.0726","0.0009","84.172","0.001","74.363","0.002","77.366","0.001","3186.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H64 Cu3 N21 O15.5 Re12 S17 -","- C7 H64 Cu3 N21 O15.5 Re12 S17 -","- C14 H128 Cu6 N42 O31 Re24 S34 -","2","1","","Yuri V. Mironov; Yakov M. Gayfulin; Svetlana G. Kozlova; Anton I. Smolentsev; Maria S. Tarasenko; Anton S. Nizovtsev; Vladimir E. Fedorov","Selective Two-Step Oxidation of μ2-S Ligands in Trigonal Prismatic Unit {Re3(μ6-C)(μ2-S)3Re3} of the Bioctahedral Cluster Anion [Re12CS17(CN)6]6-","Inorganic Chemistry","2012","51","","4359","4367","10.1021/ic300051w","","","0.71073","MoKα","","0.0679","0.0415","","","0.1123","0.1238","","","","","","1.133","","","","has coordinates","202193","2020-10-21","18:00:00",""
"4328835","12.1632","0.0006","12.1632","0.0006","79.544","0.004","90","","90","","120","","10191.4","0.9","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C7 H62 N24 Ni3 O10 Re12 S17 -","- C7 H61.92 N24 Ni3 O9.96 Re12 S17 -","- C42 H371.52 N144 Ni18 O59.76 Re72 S102 -","6","0.166667","","Yuri V. Mironov; Yakov M. Gayfulin; Svetlana G. Kozlova; Anton I. Smolentsev; Maria S. Tarasenko; Anton S. Nizovtsev; Vladimir E. Fedorov","Selective Two-Step Oxidation of μ2-S Ligands in Trigonal Prismatic Unit {Re3(μ6-C)(μ2-S)3Re3} of the Bioctahedral Cluster Anion [Re12CS17(CN)6]6-","Inorganic Chemistry","2012","51","","4359","4367","10.1021/ic300051w","","","0.71073","MoKα","","0.0624","0.0559","","","0.1184","0.1199","","","","","","1.389","","","","has coordinates,has disorder","202193","2020-10-21","18:00:00",""
"4328836","16.0539","0.0005","19.4392","0.0006","25.4215","0.0007","90","","126.296","0.002","90","","6394.1","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H53.8 Cu3 N20.6 O11.4 Re12 S17 -","- C7 H53.8 Cu3 N20.6 O11.4 Re12 S17 -","- C28 H215.2 Cu12 N82.4 O45.6 Re48 S68 -","4","1","","Yuri V. Mironov; Yakov M. Gayfulin; Svetlana G. Kozlova; Anton I. Smolentsev; Maria S. Tarasenko; Anton S. Nizovtsev; Vladimir E. Fedorov","Selective Two-Step Oxidation of μ2-S Ligands in Trigonal Prismatic Unit {Re3(μ6-C)(μ2-S)3Re3} of the Bioctahedral Cluster Anion [Re12CS17(CN)6]6-","Inorganic Chemistry","2012","51","","4359","4367","10.1021/ic300051w","","","0.71073","MoKα","","0.0798","0.0458","","","0.1143","0.1249","","","","","","1.09","","","","has coordinates,has disorder","202193","2020-10-21","18:00:00",""
"4328837","3.8948","0.0002","3.8948","0.0002","12.467","0.0012","90","","90","","90","","189.12","0.02","293","","293","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ce1.3 Cl Nd0.7 O3 -","- Ce1.3 Cl Nd0.7 O3 -","- Ce2.6 Cl2 Nd1.4 O6 -","2","0.125","","Jean-François Vigier; Catherine Renard; Natacha Henry; Annabelle Laplace; Francis Abraham","Molten Salt Synthesis of a Mixed-Valent Lanthanide(III/IV) Oxychloride with an Unprecedented Sillen X24 Structure: Ce1.3Nd0.7O3Cl","Inorganic Chemistry","2012","51","","4352","4358","10.1021/ic3000558","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4328838","11.772","0.0002","12.6377","0.0002","28.8396","0.0006","90","","94.632","0.002","90","","4276.48","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 N5 Zr -","- C47 H64 N5 Zr -","- C188 H256 N20 Zr4 -","4","1","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","0.71073","MoKα","","0.0538","0.0305","","","0.064","0.0664","","","","","","0.903","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328839","7.6044","0.0012","18.137","0.002","8.2034","0.0012","90","","101.782","0.008","90","","1107.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H36 O Si2 Zr -","- C20 H36 O Si2 Zr -","- C40 H72 O2 Si4 Zr2 -","2","0.5","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","1.54184","CuKα","","0.0843","0.0785","","","0.2027","0.2072","","","","","","1.08","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328840","10.2512","0.0002","20.1854","0.0002","20.1059","0.0002","90","","94.2383","0.0008","90","","4149.03","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H65 N3 Si2 Zr -","- C43 H65 N3 Si2 Zr -","- C172 H260 N12 Si8 Zr4 -","4","1","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","1.54184","CuKα","","0.0282","0.0253","","","0.0629","0.0645","","","","","","1.058","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328841","21.1024","0.0005","16.9179","0.0004","17.0954","0.0004","90","","90","","90","","6103.2","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H43 N3 Zr -","- C34 H43 N3 Zr -","- C272 H344 N24 Zr8 -","8","2","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","1.54184","CuKα","","0.0423","0.0342","","","0.0886","0.0927","","","","","","1.005","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328842","10.3414","0.0004","12.1335","0.0004","17.2704","0.0006","71.289","0.003","81.447","0.003","69.055","0.004","1915.47","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H52 N4 Zr -","- C43 H52 N4 Zr -","- C86 H104 N8 Zr2 -","2","1","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","1.54184","CuKα","","0.0289","0.028","","","0.0688","0.0693","","","","","","1.13","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328843","10.419","0.0002","20.2799","0.0002","17.5953","0.0002","90","","99.343","0.008","90","","3668.5","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H52 N4 Zr -","- C39 H52 N4 Zr -","- C156 H208 N16 Zr4 -","4","1","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","1.54184","CuKα","","0.0292","0.0272","","","0.0733","0.0744","","","","","","1.08","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328844","11.1996","0.0004","22.2814","0.0006","15.2844","0.0004","90","","99.098","0.004","90","","3766.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N4 O Zr -","- C43 H52 N4 O Zr -","- C172 H208 N16 O4 Zr4 -","4","1","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","1.54184","CuKα","","0.0377","0.0325","","","0.0827","0.0852","","","","","","1.109","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328845","17.318","0.0005","14.2982","0.0005","17.5534","0.0006","90","","107.241","0.002","90","","4151.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","La","","","- C28 H68 La N3 O14 P2 -","- C28 H68 La N3 O14 P2 -","- C112 H272 La4 N12 O56 P8 -","4","1","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0696","0.0476","","","0.1022","0.1114","","","","","","1.038","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328846","13.7793","0.0003","16.6562","0.0004","31.3629","0.0007","90","","93.25","0.001","90","","7186.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sm","","","- C50 H114 N6 O23 P4 Sm2 -","- C50 H114 N6 O23 P4 Sm2 -","- C200 H456 N24 O92 P16 Sm8 -","4","1","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0734","0.0544","","","0.1071","0.1179","","","","","","1.126","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328847","19.2591","0.0002","27.2034","0.0003","13.8018","0.0002","90","","93.805","0.001","90","","7215","0.15","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Eu","","","- C25 H57 Eu N3 O11.5 P2 -","- C25 H57 Eu N3 O11.5 P2 -","- C200 H456 Eu8 N24 O92 P16 -","8","1","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0331","0.0278","","","0.0585","0.0618","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328848","28.247","0.0003","28.247","0.0003","15.066","0.0003","90","","90","","120","","10410.5","0.3","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","Dy","","","- C24 H54 Dy N3 O11 P2 -","- C24 H54 Dy N3 O11 P2 -","- C288 H648 Dy12 N36 O132 P24 -","12","1.33333","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0589","0.0491","","","0.0944","0.1006","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328849","28.2812","0.0004","28.2812","0.0004","15.0594","0.0004","90","","90","","120","","10431.2","0.3","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","Er","","","- C32 H72 Er1.33 N4 O14.67 P2.67 -","- C32 H72 Er1.33333 N4 O14.6667 P2.66667 -","- C288 H648 Er12 N36 O132 P24 -","9","1","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0379","0.0324","","","0.0566","0.0587","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328850","28.2896","0.0004","28.2896","0.0004","15.0017","0.0003","90","","90","","120","","10397.4","0.3","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","Lu","","","- C32 H72 Lu1.33 N4 O14.67 P2.67 -","- C32 H72 Lu1.33333 N4 O14.6667 P2.66667 -","- C288 H648 Lu12 N36 O132 P24 -","9","1","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0232","0.0225","","","0.0431","0.0433","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328851","13.7432","0.0013","16.6395","0.0016","31.248","0.003","90","","92.244","0.002","90","","7140.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H55.5 N3.5 O11 P2 Tb -","- C25 H55.5 N3.5 O11 P2 Tb -","- C200 H444 N28 O88 P16 Tb8 -","8","2","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71075","MoKα","","0.0372","0.0329","","","0.0644","0.0664","","","","","","1.06","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328852","17.2988","0.0004","14.2475","0.0004","17.4277","0.0004","90","","107.271","0.001","90","","4101.64","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Nd","","","- C28 H68 N3 Nd O14 P2 -","- C28 H68 N3 Nd O14 P2 -","- C112 H272 N12 Nd4 O56 P8 -","4","1","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0412","0.0322","","","0.0656","0.0709","","","","","","1.096","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328853","27.497","0.003","27.497","0.003","21.844","0.003","90","","90","","120","","14303","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C150 H192 Cu6 Gd6 N30 O72 -","- C150 H174 Cu6 Gd6 N30 O72 -","- C450 H522 Cu18 Gd18 N90 O216 -","3","0.166667","","Alina S. Dinca; Alberto Ghirri; Augustin M. Madalan; Marco Affronte; Marius Andruh","Dodecanuclear [CuII6GdIII6] Nanoclusters as Magnetic Refrigerants","Inorganic Chemistry","2012","51","","3935","3937","10.1021/ic3001762","","","0.71073","MoKα","","0.1059","0.0654","","","0.1453","0.163","","","","","","0.963","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328854","10.4707","0.0018","11.548","0.002","11.583","0.002","90","","103.865","0.003","90","","1359.8","0.4","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br Mn N2 O4 -","- C11 H10 Br Mn N2 O4 -","- C44 H40 Br4 Mn4 N8 O16 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Jose M. Martín-Alvarez; Daniel Miguel; José A. Turiel","Macrocycle Formation by Proton-Template-Induced Dimerization of Complexes with (Alkoxoimino)pyridine","Inorganic Chemistry","2012","51","","3938","3940","10.1021/ic300196w","","","0.71073","MoKα","","0.0284","0.025","","","0.0655","0.067","","","","","","1.13","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328855","16.618","0.006","11.135","0.004","16.783","0.006","90","","93.731","0.005","90","","3099","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl3 Mn2 N4 O12 -","- C23 H21 Cl3 Mn2 N4 O12 -","- C92 H84 Cl12 Mn8 N16 O48 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Jose M. Martín-Alvarez; Daniel Miguel; José A. Turiel","Macrocycle Formation by Proton-Template-Induced Dimerization of Complexes with (Alkoxoimino)pyridine","Inorganic Chemistry","2012","51","","3938","3940","10.1021/ic300196w","","","0.71073","MoKα","","0.0976","0.0481","","","0.1129","0.1388","","","","","","0.873","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328856","18.98","0.005","10.061","0.003","30.99","0.008","90","","90","","90","","5918","3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl Mn2 N4 O12 -","- C24 H23 Cl Mn2 N4 O12 -","- C192 H184 Cl8 Mn16 N32 O96 -","8","2","","Celedonio M. Álvarez; Raúl García-Rodríguez; Jose M. Martín-Alvarez; Daniel Miguel; José A. Turiel","Macrocycle Formation by Proton-Template-Induced Dimerization of Complexes with (Alkoxoimino)pyridine","Inorganic Chemistry","2012","51","","3938","3940","10.1021/ic300196w","","","0.71073","MoKα","","0.0524","0.0411","","","0.0965","0.1033","","","","","","1.044","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328857","11.7451","0.0004","12.5229","0.0004","13.5292","0.0004","111.013","0.003","97.52","0.002","112.2","0.003","1636.17","0.12","150","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 Cl N4 O6 Ru -","- C39 H29 Cl N4 O6 Ru -","- C78 H58 Cl2 N8 O12 Ru2 -","2","1","","Amit Das; Thomas Michael Scherer; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri","9-Oxidophenalenone: A Noninnocent β-Diketonate Ligand?","Inorganic Chemistry","2012","51","","4390","4397","10.1021/ic300207d","","","0.71073","MoKα","","0.0371","0.0336","","","0.09","0.0916","","","","","","1.052","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328858","17.3674","0.0008","6.3139","0.0003","32.319","0.002","90","","97.976","0.005","90","","3509.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 Cl N2 O8 Ru -","- C43 H30 Cl N2 O8 Ru -","- C172 H120 Cl4 N8 O32 Ru4 -","4","1","","Amit Das; Thomas Michael Scherer; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri","9-Oxidophenalenone: A Noninnocent β-Diketonate Ligand?","Inorganic Chemistry","2012","51","","4390","4397","10.1021/ic300207d","","","0.71073","MoKα","","0.0617","0.0396","","","0.0906","0.0953","","","","","","0.967","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328859","9.1691","0.0009","15.8763","0.001","11.78","0.0009","90","","106.12","0.008","90","","1647.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Magnesium Neodimium Boron Silicate","","","- B8 Mg2 Nd13 O43 Si4 -","- B8 Mg2 Nd13 O43 Si4 -","- B16 Mg4 Nd26 O86 Si8 -","2","0.5","","Shijun Wu; Philip Kegler; Shuao Wang; Astrid Holzheid; Wulf Depmeier; Thomas Malcherek; Evgeny V. Alekseev; Thomas E. Albrecht-Schmitt","Rich Coordination of Nd3+ in Mg2Nd13(BO3)8(SiO4)4(OH)3, Derived from High-Pressure/High-Temperature Conditions","Inorganic Chemistry","2012","51","","3941","3943","10.1021/ic3002493","","","0.71073","MoKα","","0.029","0.0202","","","0.0392","0.0413","","","","","","1.063","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328860","14.4","0.003","14.6132","0.0019","20.424","0.003","86.927","0.012","79.811","0.016","67.788","0.017","3915.7","1.2","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H76 Co2 F12 N12 O4 P2 -","- C77 H76 Co2 F12 N12 O4 P2 -","- C154 H152 Co4 F24 N24 O8 P4 -","2","1","","Kerwyn G. Alley; Giordano Poneti; Jade B. Aitken; Rosalie K. Hocking; Boujemaa Moubaraki; Keith S. Murray; Brendan F. Abrahams; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","A Two-Step Valence Tautomeric Transition in a Dinuclear Cobalt Complex","Inorganic Chemistry","2012","51","","3944","3946","10.1021/ic3002527","","","1.54184","CuKα","","0.1534","0.0887","","","0.2296","0.2884","","","","","","1.034","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328861","20.2344","0.0008","13.0215","0.0005","27.8716","0.001","90","","92.334","0.003","90","","7337.6","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H96 Cl4 Co3 N8 O11 -","- C63 H68 Cl4 Co3 N8 O4 -","- C252 H272 Cl16 Co12 N32 O16 -","4","1","","Kerwyn G. Alley; Giordano Poneti; Jade B. Aitken; Rosalie K. Hocking; Boujemaa Moubaraki; Keith S. Murray; Brendan F. Abrahams; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","A Two-Step Valence Tautomeric Transition in a Dinuclear Cobalt Complex","Inorganic Chemistry","2012","51","","3944","3946","10.1021/ic3002527","","","1.54184","CuKα","","0.0761","0.0546","","","0.1374","0.1506","","","","","","1.052","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328862","16.5364","0.0006","17.189","0.0005","18.7018","0.0007","94.636","0.002","111.251","0.002","97.178","0.002","4869.6","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.5 H98 Cl7 Gd6 N14 O38 -","- C64.5 H93 Cl7 Gd6 N14 O38 -","- C129 H186 Cl14 Gd12 N28 O76 -","2","1","","Stuart K. Langley; Boujemaa Moubaraki; Keith S. Murray","Magnetic Properties of Hexanuclear Lanthanide(III) Clusters Incorporating a Central μ6-Carbonate Ligand Derived from Atmospheric CO2 Fixation","Inorganic Chemistry","2012","51","","3947","3949","10.1021/ic3002724","","","0.71073","MoKα","","0.0874","0.0508","","","0.106","0.1207","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328863","16.4294","0.0006","17.1637","0.0006","18.6862","0.0006","94.88","0.002","110.989","0.002","97.219","0.002","4832.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.5 H98 Cl7 N14 O38 Tb6 -","- C64.5 H93 Cl7 N14 O38 Tb6 -","- C129 H186 Cl14 N28 O76 Tb12 -","2","1","","Stuart K. Langley; Boujemaa Moubaraki; Keith S. Murray","Magnetic Properties of Hexanuclear Lanthanide(III) Clusters Incorporating a Central μ6-Carbonate Ligand Derived from Atmospheric CO2 Fixation","Inorganic Chemistry","2012","51","","3947","3949","10.1021/ic3002724","","","0.71073","MoKα","","0.0662","0.0442","","","0.0916","0.1038","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328864","16.4278","0.0008","17.1413","0.0008","18.7042","0.0008","94.87","0.002","111.093","0.002","97.137","0.002","4828","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.5 H98 Cl7 Dy6 N14 O38 -","- C64.5 H93 Cl7 Dy6 N14 O38 -","- C129 H186 Cl14 Dy12 N28 O76 -","2","1","","Stuart K. Langley; Boujemaa Moubaraki; Keith S. Murray","Magnetic Properties of Hexanuclear Lanthanide(III) Clusters Incorporating a Central μ6-Carbonate Ligand Derived from Atmospheric CO2 Fixation","Inorganic Chemistry","2012","51","","3947","3949","10.1021/ic3002724","","","0.71073","MoKα","","0.056","0.0396","","","0.0871","0.0942","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328865","9.0395","0.001","9.3091","0.001","10.5172","0.0012","80.84","0.009","76.092","0.01","61.651","0.011","754.99","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Co N14 O10 -","- C24 H32 Co N14 O10 -","- C24 H32 Co N14 O10 -","1","0.5","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas","Combination of Magnetic Susceptibility and Electron Paramagnetic Resonance to Monitor the 1D to 2D Solid State Transformation in Flexible Metal-Organic Frameworks of Co(II) and Zn(II) with 1,4-Bis(triazol-1-ylmethyl)benzene","Inorganic Chemistry","2012","51","","4403","4410","10.1021/ic300276q","","","0.71073","MoKα","","0.0935","0.0538","","","0.1122","0.1245","","","","","","0.964","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328866","9.0695","0.0007","9.3491","0.0007","10.5511","0.0008","80.933","0.006","75.831","0.007","61.733","0.008","763.08","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N14 O10 Zn -","- C24 H32 N14 O10 Zn -","- C24 H32 N14 O10 Zn -","1","0.5","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas","Combination of Magnetic Susceptibility and Electron Paramagnetic Resonance to Monitor the 1D to 2D Solid State Transformation in Flexible Metal-Organic Frameworks of Co(II) and Zn(II) with 1,4-Bis(triazol-1-ylmethyl)benzene","Inorganic Chemistry","2012","51","","4403","4410","10.1021/ic300276q","","","0.71073","MoKα","","0.0794","0.0394","","","0.0554","0.0599","","","","","","0.777","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328867","8.2019","0.0005","20.7198","0.0011","8.4751","0.0005","90","","105.604","0.006","90","","1387.19","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Co N14 O6 -","- C24 H24 Co N14 O6 -","- C48 H48 Co2 N28 O12 -","2","0.5","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas","Combination of Magnetic Susceptibility and Electron Paramagnetic Resonance to Monitor the 1D to 2D Solid State Transformation in Flexible Metal-Organic Frameworks of Co(II) and Zn(II) with 1,4-Bis(triazol-1-ylmethyl)benzene","Inorganic Chemistry","2012","51","","4403","4410","10.1021/ic300276q","","","0.71073","MoKα","","0.0802","0.0378","","","0.0584","0.0624","","","","","","0.785","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328868","8.1968","0.0003","20.721","0.0009","8.4639","0.0003","90","","105.358","0.004","90","","1386.22","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N14 O6 Zn -","- C24 H24 N14 O6 Zn -","- C48 H48 N28 O12 Zn2 -","2","0.5","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas","Combination of Magnetic Susceptibility and Electron Paramagnetic Resonance to Monitor the 1D to 2D Solid State Transformation in Flexible Metal-Organic Frameworks of Co(II) and Zn(II) with 1,4-Bis(triazol-1-ylmethyl)benzene","Inorganic Chemistry","2012","51","","4403","4410","10.1021/ic300276q","","","0.71073","MoKα","","0.0688","0.0422","","","0.0748","0.086","","","","","","1.141","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328869","29.578","0.006","16.627","0.003","12.535","0.003","90","","90","","90","","6165","2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H102 Li3.52 Mn4.49 N11.49 -","- C45 H101.83 Li3.515 Mn4.485 N11.485 -","- C180 H407.32 Li14.06 Mn17.94 N45.94 -","4","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; Michael J. Zdilla","Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters","Inorganic Chemistry","2012","51","","3950","3952","10.1021/ic300502s","","","0.71073","MoKα","","0.0785","0.0594","","","0.1459","0.1583","","","","","","1.044","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328870","29.578","0.006","16.627","0.003","12.535","0.003","90","","90","","90","","6165","2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H102 Li3.92 Mn4.08 N11.08 -","- C45 H102.1 Li3.917 Mn4.083 N11.083 -","- C180 H408.4 Li15.668 Mn16.332 N44.332 -","4","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; Michael J. Zdilla","Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters","Inorganic Chemistry","2012","51","","3950","3952","10.1021/ic300502s","","","0.71073","MoKα","","0.091","0.0639","","","0.1606","0.1784","","","","","","1.064","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328871","29.578","0.006","16.627","0.003","12.535","0.003","90","","90","","90","","6165","2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H102 Li4 Mn4 N11 -","- C45 H101.5 Li4 Mn4 N10.5 -","- C180 H406 Li16 Mn16 N42 -","4","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; Michael J. Zdilla","Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters","Inorganic Chemistry","2012","51","","3950","3952","10.1021/ic300502s","","","0.71073","MoKα","","0.063","0.0545","","","0.1316","0.1389","","","","","","1.084","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328872","15.202","0.003","19.053","0.004","20.245","0.004","90","","104.4","0.003","90","","5680","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H86 Cl2 Li6 Mn2 N8 O4 -","- C40 H86 Cl2 Li6 Mn2 N8 O4 -","- C160 H344 Cl8 Li24 Mn8 N32 O16 -","4","1","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; Michael J. Zdilla","Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters","Inorganic Chemistry","2012","51","","3950","3952","10.1021/ic300502s","","","0.71073","MoKα","","0.0754","0.052","","","0.1278","0.148","","","","","","1.068","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328873","11.418","0.004","13.342","0.004","27.759","0.009","78.328","0.006","85.817","0.006","65.893","0.006","3780","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H244 Cl2 Li22 Mn2 N24 O4 -","- C104 H244 Cl2 Li22 Mn2 N24 O4 -","- C104 H244 Cl2 Li22 Mn2 N24 O4 -","1","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; Michael J. Zdilla","Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters","Inorganic Chemistry","2012","51","","3950","3952","10.1021/ic300502s","","","0.71073","MoKα","","0.076","0.0476","","","0.1085","0.1214","","","","","","1.02","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328874","16.6718","0.0004","5.2995","0.0002","23.2735","0.0006","90","","90","","90","","2056.27","0.11","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi4 Mg O12 P2 -","- Bi4 Mg O12 P2 -","- Bi32 Mg8 O96 P16 -","8","1","","Diana Endara; Marie Colmont; Marielle Huvé; Grégory Tricot; Laurent Carpentier; Olivier Mentré","Novel Tailormade Bi4MO4(PO4)2 Structural Type (M = Mg, Zn)","Inorganic Chemistry","2012","51","","4438","4447","10.1021/ic201572y","","","0.71073","MoKα","","0.0579","0.0319","","","0.0299","0.0338","","","","1.29","1.29","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328875","33.5044","0.0003","10.8211","0.0009","27.6486","0.0002","90","","121.892","0.004","90","","8510.9","0.8","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi4 O12 P2 Zn -","- Bi4 O12 P2 Zn -","- Bi128 O384 P64 Zn32 -","32","4","","Diana Endara; Marie Colmont; Marielle Huvé; Grégory Tricot; Laurent Carpentier; Olivier Mentré","Novel Tailormade Bi4MO4(PO4)2 Structural Type (M = Mg, Zn)","Inorganic Chemistry","2012","51","","4438","4447","10.1021/ic201572y","","","0.71069","MoKα","","0.07","0.0438","","","0.0442","0.0681","","","","1.35","1.35","1.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328876","14.981","0.0008","22.1533","0.0012","13.1267","0.0007","90","","100.937","0.0013","90","","4277.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H94 Cl10 Mn7 N6 O27 -","- C70 H94 Cl10 Mn7 N6 O27 -","- C140 H188 Cl20 Mn14 N12 O54 -","2","0.5","","Siou-Yin Chen; Christopher C. Beedle; Pei-Rung Gan; Gene-Hsian Lee; Stephen Hill; En-Che Yang","Half-Integer Spin Heptanuclear Single-Molecule Magnet with an Unusual MnIII6MnII Exchange-Coupled Core","Inorganic Chemistry","2012","51","","4448","4457","10.1021/ic2019154","","","0.71073","MoKα","","0.0926","0.0648","","","0.1374","0.1499","","","","","","1.049","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328877","28.5598","0.0019","14.0774","0.0009","10.7417","0.0006","90","","91.123","0.003","90","","4317.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-Oxybisbenzoate","","","- C46 H28 Co4 N6 O15 -","- C46 H28 Co4 N6 O15 -","- C184 H112 Co16 N24 O60 -","4","1","","Debajit Sarma; Partha Mahata; Srinivasan Natarajan; Pierre Panissod; Guillaume Rogez; Marc Drillon","Synthesis, Structure, and Magnetic Properties of a New Eight-Connected Metal-Organic Framework (MOF) based on Co4 Clusters","Inorganic Chemistry","2012","51","","4495","4501","10.1021/ic2020989","","","0.71073","MoKα","","0.0873","0.0805","","","0.1743","0.1767","","","","","","1.132","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328878","12.684","0.003","12.475","0.003","20.69","0.004","90","","95.83","0.03","90","","3256.9","1.3","153.2","0.2","153.2","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 F8 Ir N5 P -","- C36 H25 F8 Ir N5 P -","- C144 H100 F32 Ir4 N20 P4 -","4","1","","Lei He; Dongxin Ma; Lian Duan; Yongge Wei; Juan Qiao; Deqiang Zhang; Guifang Dong; Liduo Wang; Yong Qiu","Control of Intramolecular π-π Stacking Interaction in Cationic Iridium Complexes via Fluorination of Pendant Phenyl Rings","Inorganic Chemistry","2012","51","","4502","4510","10.1021/ic2021325","","","0.71073","MoKα","","0.0348","0.0297","","","0.0597","0.062","","","","","","1.068","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328879","18.067","0.003","18.067","0.003","43.026","0.009","90","","90","","90","","14044","4","153.2","0.2","153.2","0.2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H22 F11 Ir N5 P -","- C36 H22 F11 Ir N5 P -","- C576 H352 F176 Ir16 N80 P16 -","16","1","","Lei He; Dongxin Ma; Lian Duan; Yongge Wei; Juan Qiao; Deqiang Zhang; Guifang Dong; Liduo Wang; Yong Qiu","Control of Intramolecular π-π Stacking Interaction in Cationic Iridium Complexes via Fluorination of Pendant Phenyl Rings","Inorganic Chemistry","2012","51","","4502","4510","10.1021/ic2021325","","","0.71073","MoKα","","0.05","0.0449","","","0.1028","0.1058","","","","","","1.13","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328880","7.3863","0.0003","13.6515","0.0006","7.9701","0.0003","90","","105.323","0.002","90","","775.09","0.06","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C36 H34 N6 O2 -","2","0.5","","Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray","Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes","Inorganic Chemistry","2012","51","","4511","4520","10.1021/ic202207e","","","1.54178","CuKα","","0.0579","0.0496","","","0.1324","0.1389","","","","","","1.051","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328881","9.4144","0.0002","13.7542","0.0004","18.1509","0.0004","90","","95.264","0.001","90","","2340.4","0.1","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag B F4 N5 O -","- C22 H23 Ag B F4 N5 O -","- C88 H92 Ag4 B4 F16 N20 O4 -","4","1","","Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray","Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes","Inorganic Chemistry","2012","51","","4511","4520","10.1021/ic202207e","","","1.54178","CuKα","","0.0322","0.0286","","","0.0735","0.0757","","","","","","1.028","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328882","13.4261","0.0006","16.2349","0.0008","27.272","0.0013","90","","100.903","0.003","90","","5837.2","0.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C108.19 H70.38 B2 Cl4.38 Cu2 F48 N8 O4 -","- C108.19 H70.38 B2 Cl4.38 Cu2 F48 N8 O4 -","- C216.38 H140.76 B4 Cl8.76 Cu4 F96 N16 O8 -","2","0.5","","Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray","Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes","Inorganic Chemistry","2012","51","","4511","4520","10.1021/ic202207e","","","0.71073","MoKα","","0.1192","0.0535","","","0.1128","0.1398","","","","","","1.001","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328883","20.0322","0.0011","28.4406","0.0014","23.7915","0.0012","90","","98.503","0.003","90","","13405.7","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H44 B Cu2 F24 N6 O2 -","- C68 H44 B Cu2 F24 N6 O2 -","- C544 H352 B8 Cu16 F192 N48 O16 -","8","2","","Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray","Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes","Inorganic Chemistry","2012","51","","4511","4520","10.1021/ic202207e","","","0.71073","MoKα","","0.1129","0.0609","","","0.1511","0.1851","","","","","","1.022","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328884","10.7273","0.0003","23.3759","0.0006","29.2642","0.0007","90","","96.399","0.001","90","","7292.6","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Ag2 N6 O3 -","- C36 H32 Ag2 N6 O2 -","- C288 H256 Ag16 N48 O16 -","8","2","","Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray","Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes","Inorganic Chemistry","2012","51","","4511","4520","10.1021/ic202207e","","","1.54178","CuKα","","0.0289","0.0257","","","0.0648","0.0662","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328885","14.1997","0.0015","15.3184","0.0016","18.656","0.0019","110.52","0.001","97.904","0.001","106.547","0.001","3513.5","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H42 B Cl4 Cu2 F24 N6 O4 -","- C66 H38 B Cu2 F24 N6 O4 -","- C132 H76 B2 Cu4 F48 N12 O8 -","2","1","","Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray","Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes","Inorganic Chemistry","2012","51","","4511","4520","10.1021/ic202207e","","","0.71073","MoKα","","0.0451","0.0368","","","0.0902","0.0937","","","","","","1.034","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328886","14.552","0.0014","15.9499","0.0015","31.34","0.003","90","","90","","90","","7274.1","1.2","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Gd[15-MC Cu(II), L-phenylglycineHA-5](terephthalate)","","- C56 H87 Cu5 Gd N10 O37 -","- C56 H50 Cu5 Gd N10 O36 -","- C224 H200 Cu20 Gd4 N40 O144 -","4","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.054","0.0435","","","0.1263","0.139","","","","","","1.123","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328887","15.5616","0.0014","30.839","0.003","30.729","0.003","90","","100.62","0.007","90","","14494","2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","La[15-MC Cu(II), L-phenylglycineHA-5](bithiophene dicarboxylate)","","- C237 H282 Cu20 La4 N50 O103.5 S12 -","- C237 H227 Cu20 La4 N45 O95.5 S12 -","- C474 H454 Cu40 La8 N90 O191 S24 -","2","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.7749","synchrotron","","0.1076","0.0558","","","0.1246","0.161","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328888","16.7609","0.0009","35.759","0.002","17.9482","0.001","90","","107.712","0.001","90","","10247.4","1","85","2","85","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Gd[15-MC Cu(II), L-homopheHA-5](btDC)","","- C154.25 H225 Cu10 Gd2 N28 O58.25 S6 -","- C154.75 H188.25 Cu10 Gd2 N28 O58.25 S6 -","- C309.5 H376.5 Cu20 Gd4 N56 O116.5 S12 -","2","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0592","0.055","","","0.154","0.158","","","","","","1.154","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328889","16.4964","0.0003","16.4964","0.0003","61.5156","0.0018","90","","90","","90","","16740.3","0.7","85","2","85","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","La[15-MC Cu(II), L-homopheHA-5](isonicotinate)","","- C63 H94.5 Cu5 La N13 O29.25 -","- C62.75 H71 Cu5 La N13 O31 -","- C502 H568 Cu40 La8 N104 O248 -","8","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.1051","0.0948","","","0.2034","0.2075","","","","","","1.244","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328890","15.082","0.005","15.242","0.005","17.234","0.008","74.492","0.004","67.296","0.007","71.961","0.005","3425","2","85","2","85","2","","","","","","","","6","P 1","P 1","1","","La[15-MC Cu(II), L-phenylalanineHA-5](isonicotinate)","","- C115 H148 Cu10 La2 N26 O49 -","- C115 H120 Cu10 La2 N26 O50 -","- C115 H120 Cu10 La2 N26 O50 -","1","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.064","0.0571","","","0.1758","0.1839","","","","","","0.738","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328891","16.966","0.003","27.984","0.004","32.407","0.005","90","","90","","90","","15386","4","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","La[15-MC Cu(II), L-phenylglycineHA-5](isonicotinate)","","- C110 H184.8 Cu10 La2 N25 O53.58 -","- C110 H100 Cu10 La2 N25 O55.49 -","- C440 H400 Cu40 La8 N100 O221.96 -","4","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0421","0.0379","","","0.111","0.1152","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328892","15.1391","0.0012","15.5615","0.0012","17.1216","0.0014","72.1","0.001","77.87","0.001","66.827","0.001","3510.3","0.5","85","2","85","2","","","","","","","","6","P 1","P 1","1","","La[15-MC Cu(II), L-phenylalanineHA-5](terephthalate)","","- C106 H149 Cu10 La2 N22 O54.5 -","- C106 H108 Cu10 La2 N22 O54.5 -","- C106 H108 Cu10 La2 N22 O54.5 -","1","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0663","0.0523","","","0.1373","0.1516","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328893","21.897","0.003","16.791","0.002","23.454","0.003","90","","98.896","0.002","90","","8519.7","1.9","85","2","85","2","","","","","","","","6","P 1 21 1","P 2yb","4","","La[15-MC Cu(II), L-homopheHA-5](terephthalate)","","- C130.5 H211.5 Cu10 La2 N20 O65.25 -","- C132.75 H172.25 Cu10 La2 N20 O60.5 -","- C265.5 H344.5 Cu20 La4 N40 O121 -","2","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0518","0.0482","","","0.1324","0.1364","","","","","","1.204","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328894","15.4739","0.0006","15.7235","0.0006","16.5063","0.0006","106.389","0.001","99.092","0.001","98.734","0.001","3721.8","0.2","85","2","85","2","","","","","","","","6","P 1","P 1","1","","Gd[15-MC Cu(II), L-homopheHA-5](terephthalate)","","- C128 H183.5 Cu10 Gd2 N20 O53.75 -","- C128 H143 Cu10 Gd2 N20 O50.75 -","- C128 H143 Cu10 Gd2 N20 O50.75 -","1","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0415","0.0364","","","0.0924","0.0967","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328895","37.0817","0.0008","37.0817","0.0008","16.1486","0.0005","90","","90","","120","","19230.2","0.8","107.5","","107.5","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C41 H44 Cl3 Lu N8 O4 -","- C36 H30 Cl3 Lu N8 O2 -","- C648 H540 Cl54 Lu18 N144 O36 -","18","1","","Christine Doffek; Nicola Alzakhem; Mariusz Molon; Michael Seitz","Rigid, Perdeuterated Lanthanoid Cryptates: Extraordinarily Bright Near-IR Luminophores.","Inorganic Chemistry","2012","51","","4539","4545","10.1021/ic202376k","","","0.71073","MoKα","","0.0755","0.0601","","","0.1798","0.19","","","","","","1.082","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328896","12.9652","0.0008","12.1867","0.0008","24.3433","0.0015","90","","102.276","0.001","90","","3758.4","0.4","173","2","173","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C30.5 H38.75 Cl F12 N4.25 O0.5 P2 Pt -","- C30.5 H38.75 Cl F12 N4.25 O0.5 P2 Pt -","- C122 H155 Cl4 F48 N17 O2 P8 Pt4 -","4","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.7749","synchrotron","","0.0401","0.0346","","","0.0926","0.0959","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328897","23.6176","0.0018","10.6519","0.0008","27.906","0.002","90","","98.797","0.002","90","","6937.8","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Cl F12 N4 P2 Pt -","- C30 H37 Cl F12 N4 P2 Pt -","- C240 H296 Cl8 F96 N32 P16 Pt8 -","8","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.7749","synchrotron","","0.0328","0.0302","","","0.0788","0.0807","","","","","","1.025","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328898","12.9207","0.0004","12.2183","0.0004","24.2249","0.0008","90","","102.173","0.002","90","","3738.4","0.2","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C31.75 H38.5 Cl0.25 F12 N5.25 O0.75 P2 Pt -","- C31.75 H38.5 Cl0.25 F12 N5.25 O0.75 P2 Pt -","- C127 H154 Cl F48 N21 O3 P8 Pt4 -","4","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","1.54178","CuKα","","0.0353","0.0343","","","0.0937","0.0946","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328899","23.921","0.0019","10.7075","0.0008","27.772","0.002","90","","98.747","0.002","90","","7030.6","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Br F12 N4 P2 Pt -","- C30 H37 Br F12 N4 P2 Pt -","- C240 H296 Br8 F96 N32 P16 Pt8 -","8","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.775","synchrotron","","0.037","0.0351","","","0.0985","0.1","","","","","","1.055","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328900","24.886","0.003","8.0909","0.001","35.751","0.005","90","","90","","90","","7198.5","1.6","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H37 F12 I N4 P2 Pt -","- C30 H37 F12 I N4 P2 Pt -","- C240 H296 F96 I8 N32 P16 Pt8 -","8","2","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.7749","synchrotron","","0.0403","0.0375","","","0.0873","0.0886","","","","","","0.982","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328901","10.5437","0.0003","14.7258","0.0004","16.3354","0.0005","63.216","0.001","71.705","0.001","69.919","0.001","2087.87","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H45 F12 N7 O P2 Pt S -","- C35 H45 F12 N7 O P2 Pt S -","- C70 H90 F24 N14 O2 P4 Pt2 S2 -","2","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","1.54178","CuKα","","0.0263","0.0248","","","0.0615","0.0625","","","","","","1.054","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328902","16.174","0.003","18.447","0.003","12.683","0.002","90","","90","","90","","3784.1","1.1","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H40 F12 N6 O2 P2 Pt -","- C32 H40 F12 N6 O2 P2 Pt -","- C128 H160 F48 N24 O8 P8 Pt4 -","4","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.7749","synchrotron","","0.0399","0.037","","","0.0905","0.0921","","","","","","1.04","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328903","9.2003","0.0006","13.1174","0.0009","16.017","0.0011","86.3","0.001","79.461","0.001","72.667","0.001","1814","0.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.25 H37 Cl F12 N5 O2.25 P2 Pt -","- C30.25 H37 Cl F12 N5 O2.25 P2 Pt -","- C60.5 H74 Cl2 F24 N10 O4.5 P4 Pt2 -","2","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.7749","synchrotron","","0.0587","0.0577","","","0.1546","0.156","","","","","","1.016","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328904","12.3801","0.0004","12.4952","0.0004","24.1575","0.0008","90","","96.102","0.001","90","","3715.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl F18 N4 P2 Pt -","- C30 H35 Cl F18 N4 P2 Pt -","- C120 H140 Cl4 F72 N16 P8 Pt4 -","4","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","1.54178","CuKα","","0.0234","0.0218","","","0.0535","0.0544","","","","","","1.038","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328905","9.3658","0.0007","26.227","0.002","11.0318","0.0009","90","","104.003","0.002","90","","2629.3","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 B Cl F4 N4 Pt -","- C26 H28 B Cl F4 N4 Pt -","- C104 H112 B4 Cl4 F16 N16 Pt4 -","4","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.775","synchrotron","","0.0303","0.0246","","","0.0621","0.0642","","","","","","1.04","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328906","15.228","0.004","13.357","0.003","18.777","0.005","90","","90","","90","","3819.2","1.7","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs Lu7 S11 -","- Cs Lu7 S11 -","- Cs8 Lu56 S88 -","8","","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0456","0.0381","","","0.0982","0.1174","","","","","","1.157","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328907","15.849","0.007","13.858","0.006","19.509","0.008","90","","90","","90","","4285","3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs Lu7 Se11 -","- Cs Lu7 Se11 -","- Cs8 Lu56 Se88 -","8","","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0557","0.0424","","","0.0876","0.0972","","","","","","1.058","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328908","17.166","0.006","19.53","0.006","13.017","0.005","90","","128.738","0.004","90","","3404","2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl Cs6 Dy21 S34 -","- Cl Cs6 Dy21 S34 -","- Cl2 Cs12 Dy42 S68 -","2","0.25","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.023","0.0196","","","0.0423","0.0431","","","","","","1.057","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328909","17.127","0.011","19.489","0.011","12.988","0.009","90","","128.662","0.008","90","","3385","4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl Cs6 Ho21 S34 -","- Cl Cs6 Ho21 S34 -","- Cl2 Cs12 Ho42 S68 -","2","0.25","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0392","0.0339","","","0.0699","0.0724","","","","","","1.054","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328910","17.787","0.007","20.29","0.007","13.484","0.006","90","","128.686","0.005","90","","3799","3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl Cs6 Dy21 Se34 -","- Cl Cs6 Dy21 Se34 -","- Cl2 Cs12 Dy42 Se68 -","2","0.25","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0439","0.0409","","","0.1024","0.1045","","","","","","1.163","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328911","17.662","0.017","20.173","0.015","13.419","0.013","90","","128.604","0.01","90","","3736","6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl Cs6 Ho21 Se34 -","- Cl Cs6 Ho21 Se34 -","- Cl2 Cs12 Ho42 Se68 -","2","0.25","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0539","0.043","","","0.0948","0.101","","","","","","1.089","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328912","18.8678","0.0019","21.577","0.0009","14.3556","0.0014","90","","128.662","0.003","90","","4563.5","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl Cs6 Dy21 Te34 -","- Cl Cs6 Dy21 Te34 -","- Cl2 Cs12 Dy42 Te68 -","2","0.25","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0287","0.0241","","","0.0395","0.0408","","","","","","1.109","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328913","18.779","0.002","21.4864","0.0015","14.2957","0.0015","90","","128.629","0.003","90","","4506.2","0.8","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl Cs6 Ho21 Te34 -","- Cl Cs6 Ho21 Te34 -","- Cl2 Cs12 Ho42 Te68 -","2","0.25","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0557","0.0498","","","0.119","0.123","","","","","","1.164","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328914","20.3753","0.0001","20.3753","0.0001","26.3587","0.0003","90","","90","","120","","9476.82","0.13","173.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C48 H156 Cl6 Cu6 N12 O72 Sb2 W18 -","- C48 Cl6 Cu6 N12 O72 Sb2 W18 -","- C144 Cl18 Cu18 N36 O216 Sb6 W54 -","3","0.166667","","Toshihiro Yamase; Hirofumi Ishikawa; Hiroko Abe; Keisuke Fukaya; Hiroyuki Nojiri; Hideo Takeuchi","Molecular Magnetism of M~6-Hexagon Ring in D~3d~-Symmetric [(MCl)~6~(XW~9~O~33~)~2~]^12-^ (M=Cu^II^ and Mn^II^, X=Sb^III^ and As^III^)","Inorganic Chemistry","2012","51","","4606","4619","10.1021/ic202513q","","","0.7107","MoKα","","","0.03","","","","0.095","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328915","20.12","0.02","20.12","0.02","27.43","0.03","90","","90","","120","","9616","17","173.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C48 H156 As2 Cl6 Mn6 N12 O72 W18 -","- C48 As2 Cl6 Mn6 N12 O72 W18 -","- C144 As6 Cl18 Mn18 N36 O216 W54 -","3","0.166667","","Toshihiro Yamase; Hirofumi Ishikawa; Hiroko Abe; Keisuke Fukaya; Hiroyuki Nojiri; Hideo Takeuchi","Molecular Magnetism of M~6-Hexagon Ring in D~3d~-Symmetric [(MCl)~6~(XW~9~O~33~)~2~]^12-^ (M=Cu^II^ and Mn^II^, X=Sb^III^ and As^III^)","Inorganic Chemistry","2012","51","","4606","4619","10.1021/ic202513q","","","0.7107","MoKα","","","0.023","","","","0.051","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328916","12.1544","0.0003","9.2458","0.0003","20.895","0.0005","90","","104.67","0.002","90","","2271.57","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mo N2 O4 -","- C24 H24 Mo N2 O4 -","- C96 H96 Mo4 N8 O16 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0365","0.0229","","","0.0463","0.0478","","","","","","0.859","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328917","8.7021","0.0005","25.3075","0.0011","12.1383","0.0008","90","","106.289","0.005","90","","2565.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H56 Mo2 N4 O8 -","- C55 H56 Mo2 N4 O8 -","- C110 H112 Mo4 N8 O16 -","2","0.5","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0858","0.0345","","","0.0612","0.07","","","","","","0.782","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328918","8.0486","0.0004","10.7159","0.0005","16.9424","0.0007","101.227","0.003","91.254","0.004","110.102","0.003","1339.7","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Mo N4 O3 -","- C27 H30 Mo N4 O3 -","- C54 H60 Mo2 N8 O6 -","2","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0563","0.0426","","","0.0994","0.1027","","","","","","0.917","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328919","8.9247","0.0009","17.3235","0.0016","18.907","0.002","90","","92.725","0.009","90","","2919.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Mo N2 O7 -","- C27 H40 Mo N2 O7 -","- C108 H160 Mo4 N8 O28 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1637","0.0716","","","0.1524","0.1782","","","","","","0.829","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328920","8.1441","0.0006","23.6151","0.0016","15.1751","0.001","90","","92.979","0.006","90","","2914.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Mo N2 O5 -","- C31 H40 Mo N2 O5 -","- C124 H160 Mo4 N8 O20 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1028","0.0564","","","0.1238","0.1438","","","","","","0.941","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328921","8.0229","0.0003","14.7128","0.0003","21.1374","0.0008","90","","91.586","0.003","90","","2494.09","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 Mo N2 O4 S -","- C25 H30 Mo N2 O4 S -","- C100 H120 Mo4 N8 O16 S4 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0579","0.035","","","0.0778","0.0815","","","","","","0.816","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328922","10.7137","0.0006","8.6261","0.0004","14.0551","0.0009","90","","97.791","0.005","90","","1286.95","0.13","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H31 Mo N3 O4 -","- C26 H31 Mo N3 O4 -","- C52 H62 Mo2 N6 O8 -","2","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0378","0.0375","","","0.0996","0.0998","","","","","","1.059","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328923","12.6114","0.0017","16.538","0.0019","14.08","0.002","90","","96.614","0.011","90","","2917.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Mo N2 O5 -","- C29 H36 Mo N2 O5 -","- C116 H144 Mo4 N8 O20 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1715","0.0647","","","0.1346","0.1683","","","","","","0.799","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328924","8.5473","0.0004","16.9278","0.0006","9.5909","0.0004","90","","95.467","0.004","90","","1381.37","0.1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H32 Mo N2 O5 -","- C27 H32 Mo N2 O5 -","- C54 H64 Mo2 N4 O10 -","2","0.5","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.028","0.0215","","","0.0497","0.0503","","","","","","0.924","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328925","8.4975","0.0006","10.0132","0.0007","16.7062","0.0012","74.611","0.006","85.013","0.006","71.811","0.005","1302.02","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Mo N2 O3 S -","- C27 H32 Mo N2 O3 S -","- C54 H64 Mo2 N4 O6 S2 -","2","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0584","0.0451","","","0.1083","0.1114","","","","","","0.921","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328926","14.8814","0.0006","14.0546","0.0006","15.0473","0.0005","90","","93.562","0.003","90","","3141.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cl4 Mo N4 O3 -","- C28 H32 Cl4 Mo N4 O3 -","- C112 H128 Cl16 Mo4 N16 O12 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1111","0.0551","","","0.1179","0.1321","","","","","","0.816","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328927","14.7026","0.0007","13.4064","0.0005","15.6346","0.0008","90","","97.696","0.004","90","","3054","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H66 Cl6 Mo2 N8 O6 -","- C57 H66 Cl6 Mo2 N8 O6 -","- C114 H132 Cl12 Mo4 N16 O12 -","2","0.5","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0619","0.0338","","","0.0755","0.0827","","","","","","0.906","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328928","37.1655","0.0018","10.0977","0.0005","14.3801","0.0009","90","","96.569","0.005","90","","5361.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 Mo N3 O3 -","- C28 H33 Mo N3 O3 -","- C224 H264 Mo8 N24 O24 -","8","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1059","0.0386","","","0.0637","0.0753","","","","","","0.752","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328929","19.2545","0.0012","8.7969","0.0004","19.7635","0.0014","90","","90.232","0.005","90","","3347.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 Mo N2 O3 P -","- C35 H51 Mo N2 O3 P -","- C140 H204 Mo4 N8 O12 P4 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0751","0.0536","","","0.1147","0.124","","","","","","0.989","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328930","16.3875","0.0011","14.982","0.0007","12.5381","0.0006","90","","90","","90","","3078.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H44 Cl Mo N3 O3 -","- C31 H44 Cl Mo N3 O3 -","- C124 H176 Cl4 Mo4 N12 O12 -","4","0.5","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1076","0.0527","","","0.1146","0.1295","","","","","","0.814","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328931","16.322","0.006","15.164","0.007","12.656","0.007","90","","90","","90","","3132","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H44 Br Mo N3 O3 -","- C31 H44 Br Mo N3 O3 -","- C124 H176 Br4 Mo4 N12 O12 -","4","0.5","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1368","0.0696","","","0.1217","0.1417","","","","","","1.027","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328932","8.0083","0.0004","13.8224","0.0008","15.4853","0.0009","90.554","0.005","92.607","0.004","104.505","0.004","1657.38","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Mo N4 O3 S -","- C32 H44 Mo N4 O3 S -","- C64 H88 Mo2 N8 O6 S2 -","2","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0658","0.0419","","","0.0939","0.0987","","","","","","0.846","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328933","18.8","0.0006","14.5851","0.0003","21.342","0.0006","90","","97.615","0.002","90","","5800.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 Cl2 Mo2 N6 O6 -","- C56 H70 Cl2 Mo2 N6 O6 -","- C224 H280 Cl8 Mo8 N24 O24 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.0655","0.0373","","","0.0792","0.0836","","","","","","0.803","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328934","15.1281","0.0008","29.3076","0.0014","15.1729","0.0013","90","","118.88","0.005","90","","5890.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H73 Cl2 Mo2 N5 O8 -","- C57 H73 Cl2 Mo2 N5 O8 -","- C228 H292 Cl8 Mo8 N20 O32 -","4","1","","Benjamin Oelkers; Alexander Venker; Jörg Sundermeyer","Molybdenum 1,4-Diazabuta-1,3-diene Tricarbonyl Solvento Complexes Revisited: From Solvatochromism to Attractive Ligand-Ligand Interaction","Inorganic Chemistry","2012","51","","4636","4643","10.1021/ic202517w","","","0.71073","MoKα","","0.1629","0.0473","","","0.0595","0.0762","","","","","","0.651","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328935","7.316","0.0005","26.4953","0.0019","24.2927","0.0017","90","","90","","90","","4708.9","0.6","200","2","200","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Compound1","","","- C20 H24 Cd O12 -","- C20 H16 Cd O12 -","- C160 H128 Cd8 O96 -","8","1","","Biplab Joarder; Abhijeet K. Chaudhari; Sujit K. Ghosh","A Homochiral Luminescent 2D Porous Coordination Polymer with Collagen-Type Triple Helices Showing Selective Guest Inclusion","Inorganic Chemistry","2012","51","","4644","4649","10.1021/ic2025389","","","0.71073","MoKα","","0.0693","0.0659","","","0.1695","0.1715","","","","","","1.125","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328936","10.9899","0.0005","11.3709","0.0006","12.9317","0.0006","115.158","0.003","92.861","0.003","91.203","0.003","1459.3","0.13","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H44 Cl2 Ga2 N2 -","- C25 H44 Cl2 Ga2 N2 -","- C50 H88 Cl4 Ga4 N4 -","2","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0336","0.0253","","","0.0642","0.0681","","","","","","1.036","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328937","12.29","0.0003","21.4033","0.0006","10.5018","0.0003","90","","90","","90","","2762.46","0.13","172","2","172","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H39 Al Cl2 N2 -","- C27 H39 Al Cl2 N2 -","- C108 H156 Al4 Cl8 N8 -","4","0.5","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0574","0.0416","","","0.1071","0.1176","","","","","","1.029","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328938","12.4112","0.0004","21.4045","0.0007","10.5492","0.0004","90","","90","","90","","2802.45","0.17","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H42 Al Cl N2 -","- C28 H42 Al Cl N2 -","- C112 H168 Al4 Cl4 N8 -","4","0.5","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0621","0.0506","","","0.1243","0.1295","","","","","","1.195","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328939","8.2488","0.0003","10.9973","0.0004","13.3696","0.0004","95.589","0.002","101.687","0.002","107.113","0.002","1119.01","0.07","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H30 Al Cl N2 -","- C22 H30 Al Cl N2 -","- C44 H60 Al2 Cl2 N4 -","2","2","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0778","0.0623","","","0.1698","0.1845","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328940","8.3271","0.0005","10.061","0.0006","13.492","0.0008","77.792","0.003","78.412","0.004","66.799","0.004","1006.71","0.11","223","2","223","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H26 Al Cl N2 -","- C20 H26 Al Cl N2 -","- C40 H52 Al2 Cl2 N4 -","2","2","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0688","0.0569","","","0.1503","0.1626","","","","","","1.044","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4328941","8.4376","0.0002","9.7487","0.0003","19.3503","0.0006","82.012","0.002","80.823","0.002","69.652","0.002","1467.24","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H49 Al N2 -","- C31 H49 Al N2 -","- C62 H98 Al2 N4 -","2","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.05","0.0433","","","0.1223","0.1301","","","","","","1.029","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328942","25.344","0.007","12.688","0.003","19.173","0.015","90","","109","0.03","90","","5829","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl3 Ga N2 -","- C26 H36 Cl3 Ga N2 -","- C208 H288 Cl24 Ga8 N16 -","8","2","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.1225","0.0514","","","0.1064","0.1316","","","","","","1.021","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328943","10.6473","0.0004","29.222","0.0011","12.8369","0.0005","90","","114.604","0.003","90","","3631.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl6 Ga2 N2 -","- C26 H36 Cl6 Ga2 N2 -","- C104 H144 Cl24 Ga8 N8 -","4","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0671","0.0517","","","0.1319","0.1375","","","","","","1.201","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328944","12.7846","0.0005","12.8871","0.0006","19.0497","0.0008","90","","108.701","0.002","90","","2972.9","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl2 Ga N2 -","- C27 H39 Cl2 Ga N2 -","- C108 H156 Cl8 Ga4 N8 -","4","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.08","0.0498","","","0.1239","0.1441","","","","","","1.009","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328945","16.517","0.0014","16.6341","0.0013","24.592","0.002","90","","90","","90","","6756.5","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H39 Cl5 Ga2 N2 -","- C27 H39 Cl5 Ga2 N2 -","- C216 H312 Cl40 Ga16 N16 -","8","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0833","0.0427","","","0.1047","0.1261","","","","","","1.031","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4328946","8.5502","0.0012","10.4355","0.0013","12.9041","0.0019","103.143","0.006","90.911","0.007","97.951","0.006","1109.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cl Ga N2 -","- C22 H30 Cl Ga N2 -","- C44 H60 Cl2 Ga2 N4 -","2","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0565","0.0528","","","0.158","0.1629","","","","","","1.057","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328947","12.4887","0.0003","21.4298","0.0005","10.5557","0.0003","90","","90","","90","","2825.03","0.12","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H45 Ga N2 -","- C28.9996 H44.9996 Ga N2 -","- C115.998 H179.998 Ga4 N8 -","4","0.5","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0562","0.0359","","","0.0854","0.093","","","","","","1.045","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328948","18.6849","0.0012","10.17","0.0007","16.8763","0.0011","90","","111.818","0.003","90","","2977.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Ga N2 -","- C31 H49 Ga N2 -","- C124 H196 Ga4 N8 -","4","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0621","0.0566","","","0.1606","0.1637","","","","","","1.142","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328949","9.8179","0.0004","10.6882","0.0005","12.0478","0.0006","65.44","0.003","74.386","0.003","69.424","0.002","1065.21","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 Cl2 Ga2 N2 -","- C14 H32 Cl2 Ga2 N2 -","- C28 H64 Cl4 Ga4 N4 -","2","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0701","0.0528","","","0.1526","0.1642","","","","","","1.09","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328950","8.1901","0.0003","20.1869","0.0007","8.9629","0.0003","90","","90.8456","0.0016","90","","1481.7","0.09","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 Fe N24 O10 -","- C12 H16 Cl2 Fe N24 O10 -","- C24 H32 Cl4 Fe2 N48 O20 -","2","0.5","","Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang","New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect","Inorganic Chemistry","2012","51","","4663","4671","10.1021/ic202626c","","","0.71073","MoKα","","0.1145","0.0843","","","0.2613","0.2798","","","","","","1.197","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328951","8.0267","0.0004","19.4307","0.0009","8.9609","0.0004","90","","93.286","0.004","90","","1395.28","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 Fe N24 O10 -","- C12 H16 Cl2 Fe N24 O10 -","- C24 H32 Cl4 Fe2 N48 O20 -","2","0.5","","Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang","New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect","Inorganic Chemistry","2012","51","","4663","4671","10.1021/ic202626c","","","0.71073","MoKα","","0.104","0.0611","","","0.1531","0.1793","","","","","","1.042","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328952","8.1446","0.0004","20.2603","0.0008","8.8515","0.0004","90","","90.061","0.003","90","","1460.6","0.11","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 B2 F8 Fe N24 -","- C12 H12 B2 F8 Fe N24 -","- C24 H24 B4 F16 Fe2 N48 -","2","0.5","","Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang","New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect","Inorganic Chemistry","2012","51","","4663","4671","10.1021/ic202626c","","","0.71073","MoKα","","0.1368","0.0527","","","0.1208","0.154","","","","","","0.988","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328953","8.0112","0.0002","19.4392","0.0008","8.9648","0.0003","90","","93.382","0.002","90","","1393.67","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 B2 F8 Fe N24 O2 -","- C12 H16 B2 F8 Fe N24 O2 -","- C24 H32 B4 F16 Fe2 N48 O4 -","2","0.5","","Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang","New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect","Inorganic Chemistry","2012","51","","4663","4671","10.1021/ic202626c","","","0.71073","MoKα","","0.0813","0.0409","","","0.0968","0.114","","","","","","1.022","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328954","13.2751","0.0013","7.194","0.0007","12.0161","0.0012","90","","118.667","0.003","90","","1006.89","0.17","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H16 Fe N12 O4 S2 -","- C10 H16 Fe N12 O4 S2 -","- C20 H32 Fe2 N24 O8 S4 -","2","0.25","","Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang","New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect","Inorganic Chemistry","2012","51","","4663","4671","10.1021/ic202626c","","","0.71073","MoKα","","0.0423","0.0394","","","0.1071","0.1092","","","","","","1.068","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328955","20.4148","0.0007","6.7777","0.0003","13.2311","0.0005","90","","95.562","0.002","90","","1822.11","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Fe N12 O4 S2 -","- C10 H16 Fe N12 O4 S2 -","- C40 H64 Fe4 N48 O16 S8 -","4","0.5","","Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang","New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect","Inorganic Chemistry","2012","51","","4663","4671","10.1021/ic202626c","","","0.71073","MoKα","","0.0805","0.0526","","","0.1483","0.1657","","","","","","1.097","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328956","8.0306","0.0003","19.408","0.0004","8.8862","0.0004","90","","92.816","0.006","90","","1383.31","0.09","264","2","264","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 Fe N24 O10 -","- C12 H16 Cl2 Fe N24 O10 -","- C24 H32 Cl4 Fe2 N48 O20 -","2","0.5","","Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang","New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect","Inorganic Chemistry","2012","51","","4663","4671","10.1021/ic202626c","","","0.71073","MoKα","","0.2012","0.0639","","","0.1028","0.1319","","","","","","1.02","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328957","12.6181","0.0004","7.17262","0.00017","12.0508","0.0004","90","","116.396","0.0026","90","","976.95","0.06","423","","423","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H8 Fe N12 S2 -","- C10 H8 Fe N12 S2 -","- C20 H16 Fe2 N24 S4 -","2","0.25","","Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang","New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect","Inorganic Chemistry","2012","51","","4663","4671","10.1021/ic202626c","powder diffraction","x-ray","1","synchrotron","","","","","","","","0.10456","","2.39","","","","","","","has coordinates,has Fobs","179392","2020-10-21","18:00:00",""
"4328958","30.032","0.016","5.718","0.003","9.294","0.005","90","","103.177","0.008","90","","1554","1.4","173.1","","173.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C64 H56 Cu4 O24 -","4","1","","Makoto Moriya; Shingo Tominaga; Takayoshi Hashimoto; Kazuki Tanifuji; Tsuyoshi Matsumoto; Yasuhiro Ohki; Kazuyuki Tatsumi; Junichi Kaneshiro; Yoshiaki Uesu; Wataru Sakamoto; Toshinobu Yogo","Non-Centrosymmetric Coordination Polymer with a Highly Hindered Octahedral Copper Center Bridged by Mandelate","Inorganic Chemistry","2012","51","","4689","4693","10.1021/ic202669r","","","0.7107","MoKα","","","0.0523","","","","0.1245","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328959","13.6554","0.0008","17.3383","0.001","17.5183","0.0011","75.178","0.003","67.214","0.003","82.18","0.003","3693.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H83 B F15 P3 Pt -","- C84 H83 B F15 P3 Pt -","- C168 H166 B2 F30 P6 Pt2 -","2","1","","Stephanie L. Granville; Gregory C. Welch; Douglas W. Stephan","Ni, Pd, Pt, and Ru Complexes of Phosphine-Borate Ligands","Inorganic Chemistry","2012","51","","4711","4721","10.1021/ic2026895","","","0.71073","MoKα","","0.0379","0.0282","","","0.0652","0.0697","","","","","","1.028","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328960","11.6221","0.0006","13.0066","0.0007","16.1921","0.0009","89.881","0.002","81.754","0.002","66.233","0.002","2212.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H100 B2 Cl2 F30 Ni P4 -","- C84 H100 B2 Cl2 F30 Ni P4 -","- C84 H100 B2 Cl2 F30 Ni P4 -","1","0.5","","Stephanie L. Granville; Gregory C. Welch; Douglas W. Stephan","Ni, Pd, Pt, and Ru Complexes of Phosphine-Borate Ligands","Inorganic Chemistry","2012","51","","4711","4721","10.1021/ic2026895","","","0.71073","MoKα","","0.0965","0.052","","","0.1121","0.1308","","","","","","1.007","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328961","13.5325","0.0014","12.9076","0.0013","23.869","0.003","90","","99.999","0.001","90","","4105.9","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 B F15 N2 P -","- C40 H37 B F15 N2 P -","- C160 H148 B4 F60 N8 P4 -","4","1","","Stephanie L. Granville; Gregory C. Welch; Douglas W. Stephan","Ni, Pd, Pt, and Ru Complexes of Phosphine-Borate Ligands","Inorganic Chemistry","2012","51","","4711","4721","10.1021/ic2026895","","","0.71073","MoKα","","0.0788","0.0548","","","0.1422","0.1663","","","","","","1.045","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328962","9.031","0.005","19.62","0.011","23.802","0.013","90","","95.685","0.009","90","","4197","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 B F14 P Pt -","- C46 H40 B F14 P Pt -","- C184 H160 B4 F56 P4 Pt4 -","4","1","","Stephanie L. Granville; Gregory C. Welch; Douglas W. Stephan","Ni, Pd, Pt, and Ru Complexes of Phosphine-Borate Ligands","Inorganic Chemistry","2012","51","","4711","4721","10.1021/ic2026895","","","0.71073","MoKα","","0.15","0.0855","","","0.2001","0.2591","","","","","","1.076","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328963","14.3247","0.0011","14.9512","0.0012","16.0283","0.0013","86.229","0.004","64.236","0.004","87.839","0.004","3084.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H57 B F15 O P3 Pt -","- C66 H57 B F15 O P3 Pt -","- C132 H114 B2 F30 O2 P6 Pt2 -","2","1","","Stephanie L. Granville; Gregory C. Welch; Douglas W. Stephan","Ni, Pd, Pt, and Ru Complexes of Phosphine-Borate Ligands","Inorganic Chemistry","2012","51","","4711","4721","10.1021/ic2026895","","","0.71073","MoKα","","0.052","0.0379","","","0.0883","0.0948","","","","","","1.022","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328964","11.7251","0.0009","12.7188","0.001","20.8837","0.0016","106.73","0.004","102.73","0.004","90.302","0.004","2901.4","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H63 B Cl2 F15 N2 P Ru -","- C61 H63 B Cl2 F15 N2 P Ru -","- C122 H126 B2 Cl4 F30 N4 P2 Ru2 -","2","1","","Stephanie L. Granville; Gregory C. Welch; Douglas W. Stephan","Ni, Pd, Pt, and Ru Complexes of Phosphine-Borate Ligands","Inorganic Chemistry","2012","51","","4711","4721","10.1021/ic2026895","","","0.71073","MoKα","","0.0946","0.0495","","","0.1058","0.1225","","","","","","1.008","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328965","12.6243","0.0005","15.6195","0.0007","17.6369","0.0007","90","","101.127","0.001","90","","3412.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","gallium(III) protoporphyrin-IX pyridine dimer","","","- C83 H77 Ga2 N11 O8 -","- C84 H78 Ga2 N10 O8 -","- C168 H156 Ga4 N20 O16 -","2","0.5","","D. Scott Bohle; Erin L. Dodd","[Gallium(III) protoporphyrin IX]2: A Soluble Diamagnetic Model for Malaria Pigment","Inorganic Chemistry","2012","51","","4411","4413","10.1021/ic2027303","","","1.54178","CuKα","","0.0682","0.0535","","","0.149","0.1618","","","","","","1.058","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328966","7.3743","0.0005","10.452","0.0008","13.7521","0.0011","109.415","0.003","105.264","0.003","93.746","0.003","950.71","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl5 Hg7 In S6 -","- Cl5 Hg7 In S6 -","- Cl10 Hg14 In2 S12 -","2","1","","Yi Liu; Fengxia Wei; Sing Ning Yeo; Fu Min Lee; Christian Kloc; Qingyu Yan; Huey Hoon Hng; Jan Ma; Qichun Zhang","Synthesis, Crystal Structure, and Optical Properties of a Three-Dimensional Quaternary Hg-In-S-Cl Chalcohalide: Hg7InS6Cl5","Inorganic Chemistry","2012","51","","4414","4416","10.1021/ic202746y","","","0.71073","MoKα","","0.0268","0.0236","","","0.0507","0.0554","","","","","","1.12","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328967","10.2906","0.0001","10.2906","0.0001","10.2906","0.0001","90","","90","","90","","1089.74","0.018","295","2","295","2","","","","","","","Prepared by annealing at 1000 # degree C","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ni3.7 Si41.4 -","- Ba8 Ni3.702 Si41.41 -","- Ba8 Ni3.702 Si41.41 -","1","0.0208333","","U. Aydemir; C. Candolfi; A. Ormeci; H. Borrmann; U. Burkhardt; Y. Oztan; N. Oeschler; M. Baitinger; F. Steglich; Yu. Grin","Synthesis, Crystal Structure, and Physical Properties of the Type-I Clathrate Ba8-δNix( )ySi46-x-y","Inorganic Chemistry","2012","51","","4730","4741","10.1021/ic2027626","","x-ray","0.56087","AgKα","","0.0289","0.0214","","0.0589","","0.0353","","","","","","1.45","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328968","10.2922","0.0001","10.2922","0.0001","10.2922","0.0001","90","","90","","90","","1090.25","0.018","295","2","295","2","","","","","","","Prepared by annealing at 1000 # degree C","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ni3.2 Si42.4 -","- Ba8 Ni3.1998 Si42.448 -","- Ba8 Ni3.1998 Si42.448 -","1","0.0208333","","U. Aydemir; C. Candolfi; A. Ormeci; H. Borrmann; U. Burkhardt; Y. Oztan; N. Oeschler; M. Baitinger; F. Steglich; Yu. Grin","Synthesis, Crystal Structure, and Physical Properties of the Type-I Clathrate Ba8-δNix( )ySi46-x-y","Inorganic Chemistry","2012","51","","4730","4741","10.1021/ic2027626","","x-ray","0.56087","AgKα","","0.0451","0.0233","","0.1081","","0.0387","","","","","","1.7","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328969","10.2982","0.0001","10.2982","0.0001","10.2982","0.0001","90","","90","","90","","1092.15","0.018","295","2","295","2","","","","","","","Prepared by annealing at 1000 # degree C","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ni2.6 Si43.3 -","- Ba8 Ni2.598 Si43.3 -","- Ba8 Ni2.598 Si43.3 -","1","0.0208333","","U. Aydemir; C. Candolfi; A. Ormeci; H. Borrmann; U. Burkhardt; Y. Oztan; N. Oeschler; M. Baitinger; F. Steglich; Yu. Grin","Synthesis, Crystal Structure, and Physical Properties of the Type-I Clathrate Ba8-δNix( )ySi46-x-y","Inorganic Chemistry","2012","51","","4730","4741","10.1021/ic2027626","","x-ray","0.56087","AgKα","","0.0546","0.0304","","0.1268","","0.0517","","","","","","1.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328970","14.452","0.004","27.712","0.007","11.427","0.003","90","","125.899","0.004","90","","3707.2","1.7","113","2","113","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H63 Cu11 N22 O4 -","- C44 H63 Cu11 N22 O4 -","- C88 H126 Cu22 N44 O8 -","2","0.25","","Yu Wang; Chun-Ting He; Yi-Jiang Liu; Tian-Qi Zhao; Xiao-Min Lu; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Copper(I) and Silver(I) 2-Methylimidazolates: Extended Isomerism, Isomerization, and Host-Guest Properties","Inorganic Chemistry","2012","51","","4772","4778","10.1021/ic300083k","","","0.71073","MoKα","","0.188","0.0776","","","0.17","0.2192","","","","","","1.09","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328971","21.852","0.003","12.1005","0.0016","20.907","0.003","90","","90.875","0.002","90","","5527.6","1.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H51 Ag8 N16 O2.5 -","- C36.5 H51 Ag8 N16 O2.5 -","- C146 H204 Ag32 N64 O10 -","4","0.5","","Yu Wang; Chun-Ting He; Yi-Jiang Liu; Tian-Qi Zhao; Xiao-Min Lu; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Copper(I) and Silver(I) 2-Methylimidazolates: Extended Isomerism, Isomerization, and Host-Guest Properties","Inorganic Chemistry","2012","51","","4772","4778","10.1021/ic300083k","","","0.71073","MoKα","","0.0946","0.0614","","","0.1508","0.1712","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328972","5.8243","0.0012","11.735","0.002","14.72","0.003","90","","90","","90","","1006.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 N Ni O7 S -","- C5 H11 N Ni O7 S -","- C20 H44 N4 Ni4 O28 S4 -","4","1","","Yan-Yan Yin; Jian-Gong Ma; Zheng Niu; Xiao-Chang Cao; Wei Shi; Peng Cheng","Chiral Ni(II) Coordination Polymers: Structure-Driven Effects of Temperature and Polyvinylpyrrolidone","Inorganic Chemistry","2012","51","","4784","4790","10.1021/ic300106k","","","0.71073","MoKα","","0.0383","0.0333","","","0.0617","0.0637","","","","","","1.064","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328973","12.2986","0.0017","12.2986","0.0017","5.2444","0.001","90","","90","","90","","793.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C5 H8 N Ni O5.5 S -","- C5 H7 N Ni O5.5 S -","- C20 H28 N4 Ni4 O22 S4 -","4","1","","Yan-Yan Yin; Jian-Gong Ma; Zheng Niu; Xiao-Chang Cao; Wei Shi; Peng Cheng","Chiral Ni(II) Coordination Polymers: Structure-Driven Effects of Temperature and Polyvinylpyrrolidone","Inorganic Chemistry","2012","51","","4784","4790","10.1021/ic300106k","","","0.71073","MoKα","","0.0271","0.0247","","","0.0551","0.0559","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328974","5.319","0.0011","9.5535","0.0019","9.7302","0.0019","90","","101.23","0.03","90","","484.97","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H11 N Ni O7 S -","- C5 H11 N Ni O7 S -","- C10 H22 N2 Ni2 O14 S2 -","2","1","","Yan-Yan Yin; Jian-Gong Ma; Zheng Niu; Xiao-Chang Cao; Wei Shi; Peng Cheng","Chiral Ni(II) Coordination Polymers: Structure-Driven Effects of Temperature and Polyvinylpyrrolidone","Inorganic Chemistry","2012","51","","4784","4790","10.1021/ic300106k","","","0.71073","MoKα","","0.0328","0.0295","","","0.0583","0.0602","","","","","","1.013","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328975","10.219","0.001","10.518","0.001","20.162","0.002","90","","99.416","0.001","90","","2137.9","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl8 O3 P Ru -","- C12 H15 Cl8 O3 P Ru -","- C48 H60 Cl32 O12 P4 Ru4 -","4","1","","Evan E. Joslin; Claire L. McMullin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; William H. Myers","Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes","Inorganic Chemistry","2012","51","","4791","4801","10.1021/ic300109b","","","0.71074","MoKα","","0.068","0.0492","","","0.1298","0.1459","","","","","","1.056","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328976","10.7611","0.0003","10.4473","0.0003","22.4999","0.0006","90","","99.312","0.001","90","","2496.2","0.12","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Cl6 O3 P Ru -","- C18 H29 Cl6 O3 P Ru -","- C72 H116 Cl24 O12 P4 Ru4 -","4","1","","Evan E. Joslin; Claire L. McMullin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; William H. Myers","Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes","Inorganic Chemistry","2012","51","","4791","4801","10.1021/ic300109b","","","0.71073","MoKα","","0.0279","0.0253","","","0.0965","0.1008","","","","","","0.863","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328977","14.5126","0.0003","13.5883","0.0003","17.839","0.0004","90","","93.643","0.001","90","","3510.77","0.13","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 B Cl3 N6 O3 P2 Ru -","- C32 H34 B Cl3 N6 O3 P2 Ru -","- C128 H136 B4 Cl12 N24 O12 P8 Ru4 -","4","1","","Evan E. Joslin; Claire L. McMullin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; William H. Myers","Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes","Inorganic Chemistry","2012","51","","4791","4801","10.1021/ic300109b","","","0.71073","MoKα","","0.052","0.0346","","","0.0994","0.1149","","","","","","0.833","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328978","10.8098","0.0003","13.4616","0.0004","14.4935","0.0006","71.4074","0.0014","67.7622","0.0014","89.1939","0.001","1836.59","0.11","296.1","","296.1","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H96 As4 I2 O18 Pt -","- C58 H96 As4 I2 O18 Pt -","- C58 H96 As4 I2 O18 Pt -","1","0.5","","Kensuke Naka; Takuji Kato; Seiji Watase; Kimihiro Matsukawa","Organic Vapor Triggered Repeatable On-Off Crystalline-State Luminescence Switching","Inorganic Chemistry","2012","51","","4420","4422","10.1021/ic300173t","","","0.71075","MoKα","","","0.0391","","","","0.0923","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328979","10.6133","0.0004","13.4145","0.0006","14.3814","0.0005","69.0746","0.0012","68.95","0.0011","88.8248","0.0013","1771.15","0.12","296.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H88 As4 Cl4 I2 O16 Pt -","- C54 H88 As4 Cl4 I2 O16 Pt -","- C54 H88 As4 Cl4 I2 O16 Pt -","1","0.5","","Kensuke Naka; Takuji Kato; Seiji Watase; Kimihiro Matsukawa","Organic Vapor Triggered Repeatable On-Off Crystalline-State Luminescence Switching","Inorganic Chemistry","2012","51","","4420","4422","10.1021/ic300173t","","","0.71075","MoKα","","","0.0421","","","","0.0966","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328980","5.0486","0.0011","5.0486","0.0011","10.095","0.002","90","","90","","120","","222.83","0.08","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","disodium magnesium stannide","","- Mg Na2 Sn -","- Mg Na2 Sn -","- Mg2 Na4 Sn2 -","2","0.0833333","","Takahiro Yamada; Volker L. Deringer; Richard Dronskowski; Hisanori Yamane","Synthesis, Crystal Structure, Chemical Bonding, and Physical Properties of the Ternary Na/Mg Stannide Na2MgSn","Inorganic Chemistry","2012","51","","4810","4816","10.1021/ic300184d","","","0.71075","MoKα","","0.031","0.0296","","","0.0645","0.0655","","","","","","1.161","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328981","17.205","0.006","5.746","0.002","20.409","0.007","90","","104.374","0.008","90","","1954.5","1.2","293","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 N3 -","- C26 H15 N3 -","- C104 H60 N12 -","4","1","","Sankarasekaran Shanmugaraju; Vaishali Vajpayee; Sunmi Lee; Ki-Whan Chi; Peter J. Stang; Partha Sarathi Mukherjee","Coordination-Driven Self-Assembly of 2D-Metallamacrocycles Using a New Carbazole-Based Dipyridyl Donor: Synthesis, Characterization, and C60 Binding Study","Inorganic Chemistry","2012","51","","4817","4823","10.1021/ic300199j","","","0.71073","MoKα","","0.271","0.1354","","","0.2116","0.2679","","","","","","1.14","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328982","16.949","0.003","17.562","0.004","24.895","0.005","86.38","0.03","85.86","0.03","68.5","0.03","6871","3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C127 H99 F6 Fe2 N7 O9 P4 Pd2 S2 -","- C127 H99 F6 Fe2 N7 O9 P4 Pd2 S2 -","- C254 H198 F12 Fe4 N14 O18 P8 Pd4 S4 -","2","1","","Sankarasekaran Shanmugaraju; Vaishali Vajpayee; Sunmi Lee; Ki-Whan Chi; Peter J. Stang; Partha Sarathi Mukherjee","Coordination-Driven Self-Assembly of 2D-Metallamacrocycles Using a New Carbazole-Based Dipyridyl Donor: Synthesis, Characterization, and C60 Binding Study","Inorganic Chemistry","2012","51","","4817","4823","10.1021/ic300199j","","","0.9","synchrotron","","0.092","0.0774","","","0.2297","0.2431","","","","","","1.062","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328983","11.221","0.0013","17.4027","0.0017","21.967","0.003","90","","97.609","0.003","90","","4251.9","0.9","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 Mn2 N4 O52 S W12 -","- C56 H76 Mn2 N4 O52 S W12 -","- C112 H152 Mn4 N8 O104 S2 W24 -","2","0.5","","Yuki Sawada; Wataru Kosaka; Yoshihito Hayashi; Hitoshi Miyasaka","Coulombic Aggregations of MnIIIsalen-Type Complexes and Keggin-Type Polyoxometalates: Isolation of Mn2 Single-Molecule Magnets","Inorganic Chemistry","2012","51","","4824","4832","10.1021/ic300215q","","","0.7107","MoKα","","","0.0338","","","","0.0727","","","","","","1.055","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328984","13.11","0.0011","15.9661","0.0012","16.1721","0.001","73.882","0.004","81.157","0.006","89.561","0.006","3211.2","0.4","123","","123","","","","","","","","","7","P 1","P 1","1","","","","- C64 H64 Mn4 N8 O52 Si W12 -","- C64 H56 Mn4 N8 O52 Si W12 -","- C64 H56 Mn4 N8 O52 Si W12 -","1","1","","Yuki Sawada; Wataru Kosaka; Yoshihito Hayashi; Hitoshi Miyasaka","Coulombic Aggregations of MnIIIsalen-Type Complexes and Keggin-Type Polyoxometalates: Isolation of Mn2 Single-Molecule Magnets","Inorganic Chemistry","2012","51","","4824","4832","10.1021/ic300215q","","","0.7107","MoKα","","","0.0487","","","","0.1092","","","","","","0.987","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328985","13.782","0.004","15.611","0.005","17.204","0.005","77.258","0.013","71.271","0.012","70.782","0.012","3282.7","1.7","123","","123","","","","","","","","","8","P 1","P 1","1","","","","- C93 H80 Br8 Mn4 N9 O59 Si W12 -","- C93 H80 Br8 Mn4 N9 O59 Si W12 -","- C93 H80 Br8 Mn4 N9 O59 Si W12 -","1","1","","Yuki Sawada; Wataru Kosaka; Yoshihito Hayashi; Hitoshi Miyasaka","Coulombic Aggregations of MnIIIsalen-Type Complexes and Keggin-Type Polyoxometalates: Isolation of Mn2 Single-Molecule Magnets","Inorganic Chemistry","2012","51","","4824","4832","10.1021/ic300215q","","","0.7107","MoKα","","","0.0706","","","","0.1836","","","","","","1.078","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328986","28.368","0.003","28.368","0.003","33.958","0.004","90","","90","","90","","27327","5","100","2","100","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C45 H25 N15 O12 Zn5 -","- C45 H25 N15 O12 Zn5 -","- C360 H200 N120 O96 Zn40 -","8","0.5","","Wen-Yang Gao; Wuming Yan; Rong Cai; Le Meng; Andrea Salas; Xi-Sen Wang; Lukasz Wojtas; Xiaodong Shi; Shengqian Ma","Porous Double-Walled Metal Triazolate Framework Based upon a Bifunctional Ligand and a Pentanuclear Zinc Cluster Exhibiting Selective CO2 Uptake","Inorganic Chemistry","2012","51","","4423","4425","10.1021/ic3002256","","","0.41328","synchrotron","","0.0708","0.0534","","","0.1422","0.1502","","","","","","1.059","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328987","9.4804","0.0006","10.2714","0.0006","19.8587","0.0012","104.08","0.002","92.14","0.002","112.731","0.002","1711.25","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H92 B2 N6 O8 S2 -","- C76 H92 B2 N6 O8 S2 -","- C76 H92 B2 N6 O8 S2 -","1","0.5","","Md. Alamgir Hossain; Sung Ok Kang; Jerry Alan Kut; Victor W. Day; Kristin Bowman-James","Influence of Charge on Anion Receptivity in Amide-Based Macrocycles","Inorganic Chemistry","2012","51","","4833","4840","10.1021/ic300260g","","","0.71073","MoKα","","0.0447","0.0398","","","0.1048","0.1089","","","","","","1.02","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328988","7.6011","0.0006","11.3704","0.0009","17.5993","0.0014","90","","95.26","0.002","90","","1514.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45.33 Cl2 N6 O6.66 -","- C28 H45.312 Cl2 N6 O6.656 -","- C56 H90.624 Cl4 N12 O13.312 -","2","0.5","","Md. Alamgir Hossain; Sung Ok Kang; Jerry Alan Kut; Victor W. Day; Kristin Bowman-James","Influence of Charge on Anion Receptivity in Amide-Based Macrocycles","Inorganic Chemistry","2012","51","","4833","4840","10.1021/ic300260g","","","0.71073","MoKα","","0.0592","0.0455","","","0.1145","0.1227","","","","","","1.043","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328989","7.2836","0.0002","16.2898","0.0004","35.9526","0.0009","90","","91.434","0.002","90","","4264.38","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 N6 O19 S3 -","- C28 H46 N6 O19 S3 -","- C112 H184 N24 O76 S12 -","4","1","","Md. Alamgir Hossain; Sung Ok Kang; Jerry Alan Kut; Victor W. Day; Kristin Bowman-James","Influence of Charge on Anion Receptivity in Amide-Based Macrocycles","Inorganic Chemistry","2012","51","","4833","4840","10.1021/ic300260g","","","0.71073","MoKα","","0.097","0.0764","","","0.1986","0.2103","","","","","","1.064","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328990","7.1904","0.0004","11.4396","0.0006","20.2455","0.001","90","","90.681","0.002","90","","1665.18","0.15","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H42 I2 N8 O6 -","- C26 H42 I2 N8 O6 -","- C52 H84 I4 N16 O12 -","2","0.5","","Md. Alamgir Hossain; Sung Ok Kang; Jerry Alan Kut; Victor W. Day; Kristin Bowman-James","Influence of Charge on Anion Receptivity in Amide-Based Macrocycles","Inorganic Chemistry","2012","51","","4833","4840","10.1021/ic300260g","","","0.71073","MoKα","","0.03","0.0281","","","0.0726","0.0738","","","","","","0.973","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328991","20.74","0.03","17.03","0.03","25.84","0.04","90","","90","","90","","9127","3","123","","123","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H72 B2 Co F8 N12 O4 P4 -","- C24 H72 B2 Co F8 N12 O4 P4 -","- C192 H576 B16 Co8 F64 N96 O32 P32 -","8","1","","Koichiro Takao; Yurina Tone; Christoph Hennig; Shohei Inoue; Taro Tsubomura","Simplest Homoleptic Metal-Centered Tetrahedrons, [M(OH2)4]2+, in 1-Ethyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid (M = Co, Ni, Cu)","Inorganic Chemistry","2012","51","","4850","4854","10.1021/ic3003433","","","0.7107","MoKα","","","0.1325","","","","0.2939","","","","","","1.32","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328992","22.3558","0.0015","16.8627","0.0011","16.408","0.0011","90","","92.8","0.001","90","","6178.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetra-(4-ethoxycarbonyl benzoate)- dirhodium (II,II),chloroform solvate","","- C42 H38 Cl6 O16 Rh2 -","- C42 H38 Cl6 O16 Rh2 -","- C168 H152 Cl24 O64 Rh8 -","4","0.5","","D. Krishna Kumar; Alexander S. Filatov; Margaret Napier; Jinyu Sun; Evgeny V. Dikarev; Marina A. Petrukhina","Dirhodium Paddlewheel with Functionalized Carboxylate Bridges: New Building Block for Self-Assembly and Immobilization on Solid Support","Inorganic Chemistry","2012","51","","4855","4861","10.1021/ic300382j","","","0.71073","MoKα","","0.0414","0.0341","","","0.0978","0.1005","","","","","","1.195","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4328993","9.8635","0.0013","13.1392","0.0017","20.333","0.003","90","","94.94","0.002","90","","2625.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetra-(4-ethoxycarbonyl benzoate)- bis-acetone- dirhodium (II,II),hexane solvate","","- C52 H62 O18 Rh2 -","- C52 H62 O18 Rh2 -","- C104 H124 O36 Rh4 -","2","0.5","","D. Krishna Kumar; Alexander S. Filatov; Margaret Napier; Jinyu Sun; Evgeny V. Dikarev; Marina A. Petrukhina","Dirhodium Paddlewheel with Functionalized Carboxylate Bridges: New Building Block for Self-Assembly and Immobilization on Solid Support","Inorganic Chemistry","2012","51","","4855","4861","10.1021/ic300382j","","","0.71073","MoKα","","0.0307","0.0279","","","0.0731","0.0754","","","","","","1.069","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328994","12.646","0.001","16.2693","0.0012","25.792","0.002","90","","103.891","0.001","90","","5151.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetra-(4-ethoxycarbonyl benzoate)- dirhodium (II,II),chlorobenzne solvate","","- C52 H46 Cl2 O16 Rh2 -","- C52 H46 Cl2 O16 Rh2 -","- C208 H184 Cl8 O64 Rh8 -","4","1","","D. Krishna Kumar; Alexander S. Filatov; Margaret Napier; Jinyu Sun; Evgeny V. Dikarev; Marina A. Petrukhina","Dirhodium Paddlewheel with Functionalized Carboxylate Bridges: New Building Block for Self-Assembly and Immobilization on Solid Support","Inorganic Chemistry","2012","51","","4855","4861","10.1021/ic300382j","","","0.71073","Mo-Kα","","0.1211","0.06","","","0.1109","0.1332","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328995","25.903","0.005","17.021","0.003","16.723","0.003","90","","103.415","0.002","90","","7172","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mixed-valent (IV, VI) uranium methylenediphosphonate","","","- C3 H6 O34 P6 U4 -","- C3 H6 O34 P6 U4 -","- C24 H48 O272 P48 U32 -","8","1","","Juan Diwu; Thomas E. Albrecht-Schmitt","Mixed-Valent Uranium(IV,VI) Diphosphonate: Synthesis, Structure, and Spectroscopy","Inorganic Chemistry","2012","51","","4432","4434","10.1021/ic300391p","","","0.71073","MoKα","","0.0627","0.0429","","","0.0963","0.1036","","","","","","1.056","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328996","9.7393","0.0014","9.7393","0.0014","8.4141","0.0017","90","","90","","90","","798.1","0.2","153","2","153","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C4 H12 Cl2 Co N20 -","- C4 H12 Cl2 Co N20 -","- C8 H24 Cl4 Co2 N40 -","2","0.25","","Fang-Hua Zhao; Yun-Xia Che; Ji-Min Zheng; Fernande Grandjean; Gary J. Long","Two Acentric Mononuclear Molecular Complexes with Unusual Magnetic and Ferroelectric Properties","Inorganic Chemistry","2012","51","","4862","4868","10.1021/ic300394c","","","0.71073","MoKα","","0.0218","0.0204","","","0.0588","0.0597","","","","","","1.002","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328997","9.5134","0.001","9.5134","0.001","8.8507","0.0019","90","","90","","90","","801","0.2","294","2","294","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C4 H12 Cl2 Cu N20 -","- C4 H12 Cl2 Cu N20 -","- C8 H24 Cl4 Cu2 N40 -","2","0.25","","Fang-Hua Zhao; Yun-Xia Che; Ji-Min Zheng; Fernande Grandjean; Gary J. Long","Two Acentric Mononuclear Molecular Complexes with Unusual Magnetic and Ferroelectric Properties","Inorganic Chemistry","2012","51","","4862","4868","10.1021/ic300394c","","","0.71073","MoKα","","0.0248","0.0213","","","0.0533","0.0545","","","","","","1","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328998","8.3229","0.0006","18.0208","0.0011","10.6066","0.0008","90","","100.902","0.008","90","","1562.12","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N5 O9 U -","- C8 H13 N5 O9 U -","- C32 H52 N20 O36 U4 -","4","1","","Debasish Das; Shanmugaperumal Kannan; Dilip K. Maity; Michael G. B. Drew","Steric Effects on Uranyl Complexation: Synthetic, Structural, and Theoretical Studies of Carbamoyl Pyrazole Compounds of the Uranyl(VI) Ion","Inorganic Chemistry","2012","51","","4869","4876","10.1021/ic300398a","","","0.71073","MoKα","","0.1015","0.0755","","","0.1855","0.1958","","","","","","1.038","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328999","10.207","0.002","8.5355","0.0017","18.095","0.004","90","","95.74","0.02","90","","1568.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 N8 O12 U -","- C20 H38 N8 O12 U -","- C40 H76 N16 O24 U2 -","2","0.5","","Debasish Das; Shanmugaperumal Kannan; Dilip K. Maity; Michael G. B. Drew","Steric Effects on Uranyl Complexation: Synthetic, Structural, and Theoretical Studies of Carbamoyl Pyrazole Compounds of the Uranyl(VI) Ion","Inorganic Chemistry","2012","51","","4869","4876","10.1021/ic300398a","","","0.71073","MoKα","","0.1103","0.0658","","","0.1496","0.1729","","","","","","1.01","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4329000","10.275","0.0005","21.6295","0.001","15.8792","0.0007","90","","100.913","0.004","90","","3465.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 N3 O7 U -","- C38 H35 N3 O7 U -","- C152 H140 N12 O28 U4 -","4","1","","Debasish Das; Shanmugaperumal Kannan; Dilip K. Maity; Michael G. B. Drew","Steric Effects on Uranyl Complexation: Synthetic, Structural, and Theoretical Studies of Carbamoyl Pyrazole Compounds of the Uranyl(VI) Ion","Inorganic Chemistry","2012","51","","4869","4876","10.1021/ic300398a","","","0.71073","MoKα","","0.0962","0.0639","","","0.1133","0.1245","","","","","","1.073","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329001","18.866","0.0016","12.857","0.0011","18.6284","0.0015","90","","90","","90","","4518.5","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Mn Na6 O39 Pd12 Se8 -","- Mn Na6 O39 Pd12 Se8 -","- Mn4 Na24 O156 Pd48 Se32 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0357","0.0278","","","0.0734","0.0778","","","","","","1.07","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329002","18.784","0.0007","19.797","0.0008","36.8698","0.0014","90","","99.272","0.001","90","","13531.5","0.9","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Na11 O118 Pd30 Se20 -","- Na11 O118 Pd30 Se20 -","- Na44 O472 Pd120 Se80 -","4","1","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0698","0.0504","","","0.114","0.124","","","","","","1.049","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329003","34.428","0.002","24.9433","0.0017","23.3876","0.0016","90","","90","","90","","20084","2","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- K5 O61 Pd15 Se10 -","- K5 O61 Pd15 Se10 -","- K60 O732 Pd180 Se120 -","12","0.75","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.1086","0.0653","","","0.1922","0.2319","","","","","","1.064","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4329004","18.8869","0.0009","12.9571","0.0006","18.9155","0.0009","90","","90","","90","","4629","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co Na6 O40 Pd12 Se8 -","- Co Na6 O40 Pd12 Se8 -","- Co4 Na24 O160 Pd48 Se32 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0654","0.0618","","","0.1397","0.1413","","","","","","1.215","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329005","18.662","0.005","12.713","0.004","18.492","0.005","90","","90","","90","","4387","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Na6 O39 Pd12 Se8 Zn -","- Na6 O39 Pd12 Se8 Zn -","- Na24 O156 Pd48 Se32 Zn4 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.1012","0.0782","","","0.1703","0.1777","","","","","","1.123","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329006","18.913","0.005","12.975","0.003","18.852","0.005","90","","90","","90","","4626","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Na6 Ni O41 Pd12 Se8 -","- Na6 Ni O41 Pd12 Se8 -","- Na24 Ni4 O164 Pd48 Se32 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0527","0.042","","","0.1045","0.1097","","","","","","1.223","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329007","18.9367","0.0005","12.992","0.0003","18.8033","0.0005","90","","90","","90","","4626.1","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu Na6 O41 Pd12 Se8 -","- Cu Na6 O41 Pd12 Se8 -","- Cu4 Na24 O164 Pd48 Se32 -","4","0.5","","Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu","Cation-Induced Synthesis of New Polyoxopalladates","Inorganic Chemistry","2012","51","","4435","4437","10.1021/ic300428g","","","0.71073","MoKα","","0.0411","0.0316","","","0.0719","0.0776","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329008","13.7053","0.0007","13.7236","0.0007","6.1051","0.0003","90","","90","","90","","1148.28","0.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","EuGeO-JU-87","","","- Eu0.5 Ge1.5 H K1.5 O5 -","- Eu0.5 Ge1.5 H K1.5 O5 -","- Eu4 Ge12 H8 K12 O40 -","8","1","","Xi Wang; Yu Wang; Qiong Liu; Yi Li; Jihong Yu; Ruren Xu","K3[TbxEu1-xGe3O8(OH)2] (x= 1, 0.88, 0.67, 0): 2D-Layered Lanthanide Germanates with Tunable Photoluminescent Properties","Inorganic Chemistry","2012","51","","4779","4783","10.1021/ic3005129","","","0.71073","MoKα","","0.0325","0.025","","","0.0551","0.0583","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329009","5.4708","0.0008","5.4708","0.0008","10.64","0.002","90","","90","","120","","275.79","0.08","153.15","","153.15","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C0.1 B0.9 Ba2 Cl1.1 O3 -","- C0.097 B0.903 Ba2 Cl1.097 O3 -","- C0.194 B1.806 Ba4 Cl2.194 O6 -","2","0.166667","","Jing Zhao; R. K. Li","Ba2(BO3)1-x(CO3)xCl1+x: A Mixed Borate and Carbonate Chloride Crystallized from High-Temperature Solution","Inorganic Chemistry","2012","51","","4568","4571","10.1021/ic3005135","","","0.71073","MoKα","","0.0224","0.021","","","0.0397","0.0401","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329010","19.204","0.008","40.15","0.02","9.9","0.004","90","","90","","90","","7633","6","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H54 Li2 N16 Si2 -","- C26 H54 Li2 N16 Si2 -","- C208 H432 Li16 N128 Si16 -","8","0.5","","Meisu Zhou; Xiaoli Qiao; Hongbo Tong; Tao Gong; Mei Fan; Qiaokun Yang; Qingchen Dong; Jianbin Chao; Zhiqiang Guo; Diansheng Liu","From Lithium Bis(trimethylsilyl)amide with Cyanoamine into Triazine Compounds: Synthesis and Structures of Lithium 6-((Trimethylsilyl)amido)-2,4-bis(dimethylamino)[1,3,5]triazines and Their Manganese and Cobalt Complexes","Inorganic Chemistry","2012","51","","4925","4930","10.1021/ic201629a","","","0.71073","MoKα","","0.065","0.0499","","","0.1153","0.1201","","","","","","0.955","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329011","10.603","0.003","12.021","0.004","14.728","0.004","80.444","0.004","80.618","0.003","72.426","0.003","1752","0.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H51 Mn N11 Si3 -","- C22 H51 Mn N11 Si3 -","- C44 H102 Mn2 N22 Si6 -","2","1","","Meisu Zhou; Xiaoli Qiao; Hongbo Tong; Tao Gong; Mei Fan; Qiaokun Yang; Qingchen Dong; Jianbin Chao; Zhiqiang Guo; Diansheng Liu","From Lithium Bis(trimethylsilyl)amide with Cyanoamine into Triazine Compounds: Synthesis and Structures of Lithium 6-((Trimethylsilyl)amido)-2,4-bis(dimethylamino)[1,3,5]triazines and Their Manganese and Cobalt Complexes","Inorganic Chemistry","2012","51","","4925","4930","10.1021/ic201629a","","","0.71073","MoKα","","0.1125","0.0834","","","0.2256","0.2783","","","","","","1.137","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329012","10.603","0.003","12.021","0.004","14.728","0.004","80.444","0.004","80.618","0.003","72.426","0.003","1752","0.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H51 Co N11 Si3 -","- C22 H51 Co N11 Si3 -","- C44 H102 Co2 N22 Si6 -","2","1","","Meisu Zhou; Xiaoli Qiao; Hongbo Tong; Tao Gong; Mei Fan; Qiaokun Yang; Qingchen Dong; Jianbin Chao; Zhiqiang Guo; Diansheng Liu","From Lithium Bis(trimethylsilyl)amide with Cyanoamine into Triazine Compounds: Synthesis and Structures of Lithium 6-((Trimethylsilyl)amido)-2,4-bis(dimethylamino)[1,3,5]triazines and Their Manganese and Cobalt Complexes","Inorganic Chemistry","2012","51","","4925","4930","10.1021/ic201629a","","","0.71073","MoKα","","0.0756","0.0556","","","0.1473","0.199","","","","","","1.151","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329013","3.09884","0.00016","3.09884","0.00016","12.566","0.002","90","","90","","120","","104.502","0.018","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","Potassium Lithiostannate","Potassium Lithiostannate","","- K0.72 Li0.24 O2 Sn0.76 -","- K1.5924 Li0.4 O4 Sn1.52 -","- K1.5924 Li0.4 O4 Sn1.52 -","1","0.0416667","","Igor L. Shukaev; Vera V. Butova","New P2 Compound with Brucite-Like Layers: Potassium Lithiostannate","Inorganic Chemistry","2012","51","","4931","4937","10.1021/ic201952x","powder diffraction","","1.5406","X-ray","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4329014","22.564","0.004","20.405","0.004","14.919","0.003","90","","129.76","0.03","90","","5280","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cu N4 O10 Zn2 -","- C44 H32 Cu N4 O10 Zn2 -","- C176 H128 Cu4 N16 O40 Zn8 -","4","0.5","","Zhangjing Zhang; Shengchang Xiang; Kunlun Hong; Madhab, C. Das; Hadi D. Arman; Maya Garcia; Jalal U. Mondal; K. Mark Thomas; Banglin Chen","Triple Framework Interpenetration and Immobilization of Open Metal Sites within a Microporous Mixed Metal-Organic Framework for Highly Selective Gas Adsorption","Inorganic Chemistry","2012","51","","4947","4953","10.1021/ic2021275","","","0.71073","MoKα","","0.0966","0.0829","","","0.2185","0.2447","","","","","","1.017","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329015","7.9847","0.0004","7.823","0.0004","16.5567","0.0007","90","","90.829","0.003","90","","1034.09","0.09","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","choline copper trichloride","choline copper trichloride","","- C5 H14 Cl3 Cu N O -","- C5 H14 Cl3 Cu N O -","- C20 H56 Cl12 Cu4 N4 O4 -","4","2","","Peter De Vreese; Neil R. Brooks; Kristof Van Hecke; Luc Van Meervelt; Edward Matthijs; Koen Binnemans; Rik Van Deun","Speciation of Copper(II) Complexes in an Ionic Liquid Based on Choline Chloride and in Choline Chloride/Water Mixtures","Inorganic Chemistry","2012","51","","4972","4981","10.1021/ic202341m","","","1.54178","CuKα","","0.0376","0.0357","","","0.0741","0.0749","","","","","","1.049","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329016","11.5544","0.0008","18.0697","0.0008","12.2968","0.0006","90","","90","","90","","2567.4","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","tris(choline) copper tetracholride chloride","tris(choline) copper tetracholride chloride","","- C15 H42 Cl5 Cu N3 O3 -","- C10 H28 Cl5 Cu N2 O2 -","- C40 H112 Cl20 Cu4 N8 O8 -","4","0.5","","Peter De Vreese; Neil R. Brooks; Kristof Van Hecke; Luc Van Meervelt; Edward Matthijs; Koen Binnemans; Rik Van Deun","Speciation of Copper(II) Complexes in an Ionic Liquid Based on Choline Chloride and in Choline Chloride/Water Mixtures","Inorganic Chemistry","2012","51","","4972","4981","10.1021/ic202341m","","","1.54178","CuKα","","0.0634","0.0569","","","0.1315","0.1351","","","","","","1.094","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329017","22.4693","0.0012","10.2874","0.0006","18.5663","0.0011","90","","113.551","0.003","90","","3934.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetrakis(choline) (mu4-oxo)-hexakis(mu2-chloro)-tetrakis(chloro-copper(ii))","tetrakis(choline) (mu4-oxo)-hexakis(mu2-chloro)-tetrakis(chloro-copper(ii))","","- C20 H56 Cl10 Cu4 N4 O5 -","- C20 H54 Cl10 Cu4 N4 O5 -","- C80 H216 Cl40 Cu16 N16 O20 -","4","0.5","","Peter De Vreese; Neil R. Brooks; Kristof Van Hecke; Luc Van Meervelt; Edward Matthijs; Koen Binnemans; Rik Van Deun","Speciation of Copper(II) Complexes in an Ionic Liquid Based on Choline Chloride and in Choline Chloride/Water Mixtures","Inorganic Chemistry","2012","51","","4972","4981","10.1021/ic202341m","","","1.54178","CuKα","","0.0805","0.0658","","","0.1716","0.1821","","","","","","1.042","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329018","9.539","0.005","18.791","0.01","18.602","0.01","90","","104.519","0.007","90","","3228","3","90.1","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Co F12 N5 O3 -","- C32 H20 Co F12 N5 O3 -","- C128 H80 Co4 F48 N20 O12 -","4","1","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71069","MoKα","","","0.0607","","","","0.1754","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329019","9.616","0.004","12.934","0.006","13.637","0.006","91.961","0.006","95.844","0.006","105.413","0.006","1623.3","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 Co F14 N5 O3 -","- C32 H18 Co F14 N5 O3 -","- C64 H36 Co2 F28 N10 O6 -","2","1","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71073","MoKα","","0.1334","0.0895","","","0.2447","0.2778","","","","","","1.04","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329020","19.0791","0.0012","9.6024","0.0006","18.6","0.0011","90","","103.239","0.001","90","","3317.1","0.4","90.1","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H14 Co F18 N5 O3 -","- C32 H14 Co F18 N5 O3 -","- C128 H56 Co4 F72 N20 O12 -","4","0.5","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71069","MoKα","","","0.0264","","","","0.0707","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329021","9.9481","0.0004","16.9809","0.0005","22.1984","0.0008","90","","111.5","0.002","90","","3489","0.2","146","","145.9","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H10 Co F22 N5 O3 -","- C32 H10 Co F22 N5 O3 -","- C128 H40 Co4 F88 N20 O12 -","4","0.5","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71075","MoKα","","","0.0484","","","","0.1445","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329022","15.294","0.008","13.85","0.007","18.514","0.009","90","","110.744","0.007","90","","3667","3","90.1","","90.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H18.5 Cl3.5 Co F12 N5 O3 -","- C32.5 H18 Cl3.5 Co F12 N5 O3 -","- C130 H72 Cl14 Co4 F48 N20 O12 -","4","1","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71069","MoKα","","","0.067","","","","0.1612","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329023","12.124","0.012","16.469","0.015","20.811","0.02","90","","94.21","0.012","90","","4144","7","90.1","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H17 Cl6 Co F12 N6 O3 -","- C34 H14 Cl6 Co F12 N6 O3 -","- C136 H56 Cl24 Co4 F48 N24 O12 -","4","1","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71069","MoKα","","","0.0687","","","","0.196","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329024","15.582","0.006","13.914","0.005","18.507","0.007","90","","110.901","0.004","90","","3748","2","90.1","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H24 Br2 Co F12 N5 O4 -","- C35 H24 Br2 Co F12 N5 O4 -","- C140 H96 Br8 Co4 F48 N20 O16 -","4","1","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71069","MoKα","","","0.0516","","","","0.1462","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329025","16.338","0.005","14.02","0.004","18.562","0.005","90","","110.931","0.003","90","","3971","2","90.1","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 Cl3 Co F12 I2 N5 O3 -","- C33 H19 Cl3 Co F12 I2 N5 O3 -","- C132 H76 Cl12 Co4 F48 I8 N20 O12 -","4","1","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71069","MoKα","","","0.051","","","","0.1566","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329026","7.9199","0.0009","10.5011","0.0011","10.6624","0.0011","90","","90","","90","","886.77","0.16","146.1","","146.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N3 O -","- C10 H8 N3 O -","- C40 H32 N12 O4 -","4","1","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71075","MoKα","","","0.0715","","","","0.1463","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329027","11.0065","0.0003","16.4816","0.0007","24.5981","0.001","106.453","0.004","90.525","0.003","93.464","0.003","4270.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H96 N10 O9 Zn -","- C88 H96 N10 O9 Zn -","- C176 H192 N20 O18 Zn2 -","2","1","","Rakesh Kumar Pathak; Vijaya Kumar Hinge; Ankit Rai; Dulal Panda; Chebrolu Pulla Rao","Imino-Phenolic-Pyridyl Conjugates of Calix[4]arene (L1 and L2) as Primary Fluorescence Switch-on Sensors for Zn2+ in Solution and in HeLa Cells and the Recognition of Pyrophosphate and ATP by [ZnL2]","Inorganic Chemistry","2012","51","","4994","5005","10.1021/ic202426v","","","0.71073","MoKα","","0.1523","0.0873","","","0.2147","0.2449","","","","","","1.005","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329028","16.4722","0.0006","14.1244","0.0005","13.3541","0.0005","90","","100.968","0.003","90","","3050.21","0.19","193","2","193","2","","","","","","","chemical synthesis","7","P 1 21/c 1","-P 2ybc","14","WH60","Bis(Acetonitrile)(2,7,12-trimethyl-3,7,11,17-tetraaza- bicyclo[11.3.1]heptadeca-1(17),13,15-triene)iron(II) Triflate","","- C22 H34 F6 Fe N6 O6 S2 -","- C22 H34 F6 Fe N6 O6 S2 -","- C88 H136 F24 Fe4 N24 O24 S8 -","4","1","","Wanhua Ye; Douglas M. Ho; Simone Friedle; Taryn D. Palluccio; Elena V. Rybak-Akimova","Role of Fe(IV)-Oxo Intermediates in Stoichiometric and Catalytic Oxidations Mediated by Iron Pyridine-Azamacrocycles","Inorganic Chemistry","2012","51","","5006","5021","10.1021/ic202435r","","","0.71073","MoKα","","0.1188","0.0619","","","0.1317","0.1569","","","","","","1.02","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329029","8.6611","0.0001","10.2788","0.0002","12.5195","0.0002","90","","98.308","0.001","90","","1102.86","0.03","193","2","193","2","","","","","","","chemical synthesis","6","P 1 21/m 1","-P 2yb","11","Nickel macrocycle complex","N,N,N,N-{2,7,12-Trimethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca- 1(16),13(17),14-triene}nickel(II) Perchlorate","","- C16 H28 Cl2 N4 Ni O8 -","- C16 H28 Cl2 N4 Ni O8 -","- C32 H56 Cl4 N8 Ni2 O16 -","2","0.5","","Wanhua Ye; Douglas M. Ho; Simone Friedle; Taryn D. Palluccio; Elena V. Rybak-Akimova","Role of Fe(IV)-Oxo Intermediates in Stoichiometric and Catalytic Oxidations Mediated by Iron Pyridine-Azamacrocycles","Inorganic Chemistry","2012","51","","5006","5021","10.1021/ic202435r","","","0.71073","MoKα","","0.0505","0.0407","","","0.1144","0.1252","","","","","","1.076","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329030","11.9157","0.0002","12.0728","0.0002","14.8775","0.0002","79.1084","0.0011","85.5256","0.0011","70.3669","0.0012","1979.24","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H55 Au N P Pt S2 -","- C43 H55 Au N P Pt S2 -","- C86 H110 Au2 N2 P2 Pt2 S4 -","2","1","","Fabio Juliá; Peter G. Jones; Pablo González-Herrero","Synthesis and Photophysical Properties of Cyclometalated Platinum(II) 1,2-Benzenedithiolate Complexes and Heterometallic Derivatives Obtained from the Addition of [Au(PCy3)]+ Units","Inorganic Chemistry","2012","51","","5037","5049","10.1021/ic202465k","","","0.71073","MoKα","","0.0279","0.0231","","","0.0503","0.0521","","","","","","1.332","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329031","24.0411","0.0004","11.0278","0.0002","24.6578","0.0004","90","","90.042","0.003","90","","6537.29","0.19","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 Au2 Cl3 N O4 P2 Pt S2 -","- C62 H90 Au2 Cl3 N O4 P2 Pt S2 -","- C248 H360 Au8 Cl12 N4 O16 P8 Pt4 S8 -","4","1","","Fabio Juliá; Peter G. Jones; Pablo González-Herrero","Synthesis and Photophysical Properties of Cyclometalated Platinum(II) 1,2-Benzenedithiolate Complexes and Heterometallic Derivatives Obtained from the Addition of [Au(PCy3)]+ Units","Inorganic Chemistry","2012","51","","5037","5049","10.1021/ic202465k","","","0.71073","MoKα","","0.0345","0.0236","","","0.0403","0.0434","","","","","","1.1","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329032","24.112","0.005","15.07","0.003","18.375","0.004","90","","92.9","0.03","90","","6668","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H22 Eu F9 O8 -","- C33 H22 Eu F9 O8 -","- C264 H176 Eu8 F72 O64 -","8","1","","Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li","Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes","Inorganic Chemistry","2012","51","","5050","5057","10.1021/ic202473b","","","0.71073","MoKα","","0.0704","0.0476","","","0.1127","0.1238","","","","","","1.066","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329033","11.034","0.002","9.1616","0.0018","19.84","0.004","90","","95.6","0.03","90","","1996","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H26 Eu F9 N2 O6 -","- C43 H26 Eu F9 N2 O6 -","- C86 H52 Eu2 F18 N4 O12 -","2","1","","Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li","Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes","Inorganic Chemistry","2012","51","","5050","5057","10.1021/ic202473b","","","0.71073","MoKα","","0.0381","0.0339","","","0.0819","0.0855","","","","","","1.081","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329034","10.061","0.002","14.69","0.003","16.362","0.003","100.68","0.03","93.26","0.03","106.81","0.03","2259.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H24 Cl3 Eu F9 N2 O6 -","- C46 H24 Cl3 Eu F9 N2 O6 -","- C92 H48 Cl6 Eu2 F18 N4 O12 -","2","1","","Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li","Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes","Inorganic Chemistry","2012","51","","5050","5057","10.1021/ic202473b","","","0.71073","MoKα","","0.0925","0.0543","","","0.1261","0.1892","","","","","","1.157","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329035","23.943","0.005","15.055","0.003","18.355","0.004","90","","92.98","0.03","90","","6607","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H22 F9 O8 Sm -","- C33 H22 F9 O8 Sm -","- C264 H176 F72 O64 Sm8 -","8","1","","Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li","Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes","Inorganic Chemistry","2012","51","","5050","5057","10.1021/ic202473b","","","0.71073","MoKα","","0.0454","0.0333","","","0.0844","0.0891","","","","","","1.076","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329036","11.018","0.002","9.1465","0.0018","19.8","0.004","90","","95.8","0.03","90","","1985.2","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H26 F9 N2 O6 Sm -","- C43 H26 F9 N2 O6 Sm -","- C86 H52 F18 N4 O12 Sm2 -","2","1","","Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li","Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes","Inorganic Chemistry","2012","51","","5050","5057","10.1021/ic202473b","","","0.71073","MoKα","","0.0552","0.0448","","","0.1015","0.1063","","","","","","1.087","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329037","10.063","0.002","14.692","0.003","16.379","0.003","100.54","0.03","93.4","0.03","106.75","0.03","2263.5","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H27 Cl3 F9 N2 O6 Sm -","- C46 H27 Cl3 F9 N2 O6 Sm -","- C92 H54 Cl6 F18 N4 O12 Sm2 -","2","1","","Jingya Li; Hongfeng Li; Pengfei Yan; Peng Chen; Guangfeng Hou; Guangming Li","Synthesis, Crystal Structure, and Luminescent Properties of 2-(2,2,2-Trifluoroethyl)-1-indone Lanthanide Complexes","Inorganic Chemistry","2012","51","","5050","5057","10.1021/ic202473b","","","0.71073","MoKα","","0.0545","0.0446","","","0.112","0.1181","","","","","","1.034","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329038","15.7208","0.0017","14.6064","0.0013","22.919","0.002","90","0","95.295","0.004","90","0","5240.3","0.9","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H105 Ag4 B4 F16 N35 O14 -","- C87 H105 Ag4 B4 F16 N35 O14 -","- C174 H210 Ag8 B8 F32 N70 O28 -","2","0.5","","Daniel J. Hutchinson; Scott A. Cameron; Lyall R. Hanton; Stephen C. Moratti","Sensitivity of Silver(I) Complexes of a Pyrimidine-Hydrazone Ligand to Solvent, Counteranion, and Metal-to-Ligand Ratio Changes","Inorganic Chemistry","2012","51","","5070","5081","10.1021/ic2025582","","","0.71069","MoKα","","0.0624","0.0479","","","0.1215","0.131","","","","","","1.045","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329039","8.834","0.005","12.8072","0.001","15.3793","0.0012","97.165","0.004","92.266","0.004","95.012","0.004","1717.6","1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60 Ag4 F12 N20 O16 S4 -","- C54 H60 Ag4 F12 N20 O16 S4 -","- C54 H60 Ag4 F12 N20 O16 S4 -","1","0.5","","Daniel J. Hutchinson; Scott A. Cameron; Lyall R. Hanton; Stephen C. Moratti","Sensitivity of Silver(I) Complexes of a Pyrimidine-Hydrazone Ligand to Solvent, Counteranion, and Metal-to-Ligand Ratio Changes","Inorganic Chemistry","2012","51","","5070","5081","10.1021/ic2025582","","","0.71069","MoKα","","0.0283","0.0261","","","0.0648","0.0663","","","","","","1.082","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329040","21.065","0.004","27.459","0.005","15.881","0.003","90","","127.895","0.006","90","","7249","2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 Ag4 F12 N20 O17 S4 -","- C54 H60 Ag4 F12 N20 O17 S4 -","- C216 H240 Ag16 F48 N80 O68 S16 -","4","0.5","","Daniel J. Hutchinson; Scott A. Cameron; Lyall R. Hanton; Stephen C. Moratti","Sensitivity of Silver(I) Complexes of a Pyrimidine-Hydrazone Ligand to Solvent, Counteranion, and Metal-to-Ligand Ratio Changes","Inorganic Chemistry","2012","51","","5070","5081","10.1021/ic2025582","","","0.71069","MoKα","","0.0842","0.0782","","","0.2057","0.2127","","","","","","1.056","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329041","14.5504","0.0005","29.2736","0.0009","25.1803","0.0007","90","","90","","90","","10725.4","0.6","90","2","90","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H57 Ag2 F3 N19 O13 S -","- C46 H57 Ag2 F3 N19 O13 S -","- C368 H456 Ag16 F24 N152 O104 S8 -","8","1","","Daniel J. Hutchinson; Scott A. Cameron; Lyall R. Hanton; Stephen C. Moratti","Sensitivity of Silver(I) Complexes of a Pyrimidine-Hydrazone Ligand to Solvent, Counteranion, and Metal-to-Ligand Ratio Changes","Inorganic Chemistry","2012","51","","5070","5081","10.1021/ic2025582","","","0.71073","MoKα","","0.0615","0.0552","","","0.1201","0.124","","","","","","1.083","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329042","7.9175","0.0015","8.3277","0.0018","12.571","0.003","80.108","0.007","77.305","0.007","77.748","0.007","783.3","0.3","89","2","89","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H30 Ag2 B2 F8 N10 O2 -","- C25 H30 Ag2 B2 F8 N10 O2 -","- C25 H30 Ag2 B2 F8 N10 O2 -","1","1","","Daniel J. Hutchinson; Scott A. Cameron; Lyall R. Hanton; Stephen C. Moratti","Sensitivity of Silver(I) Complexes of a Pyrimidine-Hydrazone Ligand to Solvent, Counteranion, and Metal-to-Ligand Ratio Changes","Inorganic Chemistry","2012","51","","5070","5081","10.1021/ic2025582","","","0.71073","MoKα","","0.0499","0.0481","","","0.1254","0.1268","","","","","","1.142","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329043","12.4658","0.0013","13.2527","0.0014","17.6175","0.0018","85.927","0.002","72.613","0.002","87.304","0.002","2769.5","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Au N3 O3 P -","- C33 H25 Au N3 O3 P -","- C132 H100 Au4 N12 O12 P4 -","4","2","","Zhou, Yu-Peng; Zhang, Mei; Li, Yu-Hao; Guan, Qi-Rui; Wang, Fang; Lin, Zhuo-Jia; Lam, Chi-Keung; Feng, Xiao-Long; Chao, Hsiu-Yi","Mononuclear Gold(I) Acetylide Complexes with Urea Group: Synthesis, Characterization, Photophysics, and Anion Sensing Properties","Inorganic Chemistry","2012","51","9","5099","5109","10.1021/ic202608r","","","0.71073","MoKα","","0.0471","0.0264","","","0.0804","0.0937","","","","","","1.114","","","","has coordinates","210343","2020-10-21","18:00:00",""
"4329044","11.878","0.002","15.349","0.003","20.733","0.004","101.74","0.03","97.22","0.03","90.81","0.03","3668.5","1.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H64 Au2 N4 O8 P2 -","- C72 H64 Au2 N4 O8 P2 -","- C144 H128 Au4 N8 O16 P4 -","2","1","","Zhou, Yu-Peng; Zhang, Mei; Li, Yu-Hao; Guan, Qi-Rui; Wang, Fang; Lin, Zhuo-Jia; Lam, Chi-Keung; Feng, Xiao-Long; Chao, Hsiu-Yi","Mononuclear Gold(I) Acetylide Complexes with Urea Group: Synthesis, Characterization, Photophysics, and Anion Sensing Properties","Inorganic Chemistry","2012","51","9","5099","5109","10.1021/ic202608r","","","0.71073","MoKα","","0.084","0.0592","","","0.1596","0.1757","","","","","","1.05","","","","has coordinates,has disorder","210343","2020-10-21","18:00:00",""
"4329045","17.8948","0.0013","23.8818","0.0017","25.2878","0.0018","90","","90.634","0.001","90","","10806.3","1.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H160 Fe4 Mn2 N12 O26 -","- C92 H160 Fe4.02 Mn1.98 N12 O26 -","- C368 H640 Fe16.08 Mn7.92 N48 O104 -","4","1","","Galina M. Dulcevscaia; Irina G. Filippova; Manfred Speldrich; Jan van Leusen; Victor Ch. Kravtsov; Svetlana G. Baca; Paul Kögerler; Shi-Xia Liu; Silvio Decurtins","Cluster-Based Networks: 1D and 2D Coordination Polymers Based on {MnFe~2~(μ~3~-O)}-Type Clusters","Inorganic Chemistry","2012","51","","5110","5117","10.1021/ic202644t","","","0.71073","MoKα","","0.0731","0.0491","","","0.1289","0.1366","","","","","","0.961","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329046","14.8402","0.0008","14.8402","0.0008","18.0477","0.0018","90","","90","","120","","3442.2","0.4","130","2","130","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C51 H98 Mn3 N12 O14 -","- C52.02 H98.16 Mn3 N12 O14.02 -","- C104.04 H196.32 Mn6 N24 O28.04 -","2","0.166667","","Galina M. Dulcevscaia; Irina G. Filippova; Manfred Speldrich; Jan van Leusen; Victor Ch. Kravtsov; Svetlana G. Baca; Paul Kögerler; Shi-Xia Liu; Silvio Decurtins","Cluster-Based Networks: 1D and 2D Coordination Polymers Based on {MnFe~2~(μ~3~-O)}-Type Clusters","Inorganic Chemistry","2012","51","","5110","5117","10.1021/ic202644t","","","0.71073","MoKα","","0.0702","0.0577","","","0.1674","0.1783","","","","","","1.007","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329047","12.3263","0.0009","20.8656","0.0015","24.9857","0.0017","90","","94.876","0.001","90","","6403","0.8","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H98 Mn3 N12 O13 -","- C55 H98 Mn3 N12 O13 -","- C220 H392 Mn12 N48 O52 -","4","1","","Galina M. Dulcevscaia; Irina G. Filippova; Manfred Speldrich; Jan van Leusen; Victor Ch. Kravtsov; Svetlana G. Baca; Paul Kögerler; Shi-Xia Liu; Silvio Decurtins","Cluster-Based Networks: 1D and 2D Coordination Polymers Based on {MnFe~2~(μ~3~-O)}-Type Clusters","Inorganic Chemistry","2012","51","","5110","5117","10.1021/ic202644t","","","0.71073","MoKα","","0.0482","0.0375","","","0.0962","0.0997","","","","","","1.007","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329048","23.127","0.005","24.574","0.005","19.6","0.005","90","","90","","90","","11139","4","153","2","153","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C43 H79.5 Fe2 Mn N8.5 O13 -","- C43 H79.5 Fe2.01 Mn0.99 N8.5 O13 -","- C344 H636 Fe16.08 Mn7.92 N68 O104 -","8","","","Galina M. Dulcevscaia; Irina G. Filippova; Manfred Speldrich; Jan van Leusen; Victor Ch. Kravtsov; Svetlana G. Baca; Paul Kögerler; Shi-Xia Liu; Silvio Decurtins","Cluster-Based Networks: 1D and 2D Coordination Polymers Based on {MnFe~2~(μ~3~-O)}-Type Clusters","Inorganic Chemistry","2012","51","","5110","5117","10.1021/ic202644t","","","0.71073","MoKα","","0.0867","0.062","","","0.1386","0.1516","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329049","51.2141","0.0012","12.2883","0.0003","19.6383","0.0004","90","","90","","90","","12359.1","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H95 Fe2 Mn N8 O15 -","- C50 H95 Fe2.01 Mn0.99 N8 O15 -","- C400 H760 Fe16.08 Mn7.92 N64 O120 -","8","1","","Galina M. Dulcevscaia; Irina G. Filippova; Manfred Speldrich; Jan van Leusen; Victor Ch. Kravtsov; Svetlana G. Baca; Paul Kögerler; Shi-Xia Liu; Silvio Decurtins","Cluster-Based Networks: 1D and 2D Coordination Polymers Based on {MnFe~2~(μ~3~-O)}-Type Clusters","Inorganic Chemistry","2012","51","","5110","5117","10.1021/ic202644t","","","0.71073","MoKα","","0.1273","0.077","","","0.1902","0.2047","","","","","","0.998","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329050","18.85","0.013","20.116","0.014","20.773","0.014","65.069","0.008","65.798","0.007","64.594","0.008","6195","7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 H128 Cl3 Eu4 N24 O160 P3 W36 -","- C120 H96 Cl3 Eu4 N24 O160 P3 W36 -","- C120 H96 Cl3 Eu4 N24 O160 P3 W36 -","1","0.5","","Qiuxia Han; Lejie Zhang; Cheng He; Jiangyang Niu; Chunying Duan","Metal-Organic Frameworks with Phosphotungstate Incorporated for Hydrolytic Cleavage of a DNA-Model Phosphodiester","Inorganic Chemistry","2012","51","","5118","5127","10.1021/ic202685e","","","0.71073","MoKα","","0.15","0.0697","","","0.1307","0.1531","","","","","","1.015","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329051","11.9039","0.0007","12.0321","0.0007","13.2106","0.0008","91.959","0.003","96.98","0.003","95.566","0.002","1867.24","0.19","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H48 N8 Na2 O56 P W12 Zn -","- C40 H32 N8 Na2 O56 P W12 Zn -","- C40 H32 N8 Na2 O56 P W12 Zn -","1","0.5","","Qiuxia Han; Lejie Zhang; Cheng He; Jiangyang Niu; Chunying Duan","Metal-Organic Frameworks with Phosphotungstate Incorporated for Hydrolytic Cleavage of a DNA-Model Phosphodiester","Inorganic Chemistry","2012","51","","5118","5127","10.1021/ic202685e","","","0.71073","MoKα","","0.1069","0.0957","","","0.2599","0.265","","","","","","1.011","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329052","12.5305","0.0004","16.1251","0.0005","16.4694","0.0005","97.541","0.002","91.323","0.002","97.644","0.002","3266.85","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H56 N14 O97 P2 W24 Zn3 -","- C70 H56 N14 O97 P2 W24 Zn3 -","- C70 H56 N14 O97 P2 W24 Zn3 -","1","0.5","","Qiuxia Han; Lejie Zhang; Cheng He; Jiangyang Niu; Chunying Duan","Metal-Organic Frameworks with Phosphotungstate Incorporated for Hydrolytic Cleavage of a DNA-Model Phosphodiester","Inorganic Chemistry","2012","51","","5118","5127","10.1021/ic202685e","","","0.71073","MoKα","","0.0851","0.0824","","","0.2087","0.2102","","","","","","1.08","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329053","19.319","0.006","17.529","0.005","11.725","0.004","90","","105.998","0.004","90","","3817","2","273","2","273","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C40 H46 Ho2 N8 O55 P W12 -","- C40 H32 Ho2 N8 O55 P W12 -","- C80 H64 Ho4 N16 O110 P2 W24 -","2","0.25","","Qiuxia Han; Lejie Zhang; Cheng He; Jiangyang Niu; Chunying Duan","Metal-Organic Frameworks with Phosphotungstate Incorporated for Hydrolytic Cleavage of a DNA-Model Phosphodiester","Inorganic Chemistry","2012","51","","5118","5127","10.1021/ic202685e","","","0.71073","MoKα","","0.1201","0.109","","","0.3407","0.3474","","","","","","1.007","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329054","19.232","0.006","17.416","0.005","11.738","0.003","90","","105.99","0.004","90","","3779.5","1.9","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C40 H32 N8 O56 P W12 Yb2 -","- C40 H32 N8 O56 P W12 Yb2 -","- C80 H64 N16 O112 P2 W24 Yb4 -","2","0.25","","Qiuxia Han; Lejie Zhang; Cheng He; Jiangyang Niu; Chunying Duan","Metal-Organic Frameworks with Phosphotungstate Incorporated for Hydrolytic Cleavage of a DNA-Model Phosphodiester","Inorganic Chemistry","2012","51","","5118","5127","10.1021/ic202685e","","","0.71073","MoKα","","0.1094","0.1037","","","0.2796","0.2822","","","","","","1.048","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329055","16.3908","0.0007","11.9907","0.0004","20.1174","0.0008","90","","91.946","0.002","90","","3951.5","0.3","150","1","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N4 O4 S2 Ti -","- C40 H50 N4 O4 S2 Ti -","- C160 H200 N16 O16 S8 Ti4 -","4","1","","Alberto Donzelli; Imir Metushi; Pierre G. Potvin","Titanium(IV) Complexes of Disulfide-Linked Schiff Bases","Inorganic Chemistry","2012","51","","5138","5145","10.1021/ic202709x","","","0.71073","MoKα","","0.1207","0.0635","","","0.1547","0.1896","","","","","","1.023","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329056","21.2378","0.0003","21.2378","0.0003","31.7593","0.0007","90","","90","","120","","12405.7","0.4","150","1","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H66 N6 O15 S6 Ti3 -","- C84 H66 N6 O15 S6 Ti3 -","- C504 H396 N36 O90 S36 Ti18 -","6","0.333333","","Alberto Donzelli; Imir Metushi; Pierre G. Potvin","Titanium(IV) Complexes of Disulfide-Linked Schiff Bases","Inorganic Chemistry","2012","51","","5138","5145","10.1021/ic202709x","","","0.71073","MoKα","","0.079","0.0543","","","0.1541","0.1676","","","","","","1.059","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329057","23.695","0.004","10.2775","0.0018","9.9729","0.0018","90","","90","","90","","2428.7","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H22 Co2 N3 O11 -","- C21 H22 Co2 N3 O11 -","- C84 H88 Co8 N12 O44 -","4","0.5","","Chengli Jiao; Jian Zhang; Shuang Wang; Xiaoliang Si; Wansheng You; Zhangpeng Li; Zhonggang Wang; Hao Yu; Zelimir Gabelica; Huai-Ying Zhou; Lixian Sun; Fen Xu","Polarized Micropores in a Novel 3D Metal-Organic Framework for Selective Adsorption Properties","Inorganic Chemistry","2012","51","","5022","5025","10.1021/ic202769e","","","0.71073","MoKα","","0.0627","0.047","","","0.1439","0.1563","","","","","","1.098","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329058","18.965","0.003","10.4119","0.0014","25.015","0.003","90","","103.077","0.004","90","","4811.4","1.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","cis PtRh(tfepma)2(tBuNC)Cl5","","","- C23 H31 Cl5 F24 N3 O8 P4 Pt Rh -","- C23 H31 Cl5 F24 N3 O8 P4 Pt Rh -","- C92 H124 Cl20 F96 N12 O32 P16 Pt4 Rh4 -","4","1","","Timothy R. Cook; Brian D. McCarthy; Daniel A. Lutterman; Daniel G. Nocera","Halogen Oxidation and Halogen Photoelimination Chemistry of a Platinum-Rhodium Heterobimetallic Core","Inorganic Chemistry","2012","51","","5152","5163","10.1021/ic300004x","","","0.71073","MoKα","","0.067","0.0385","","","0.0707","0.0808","","","","","","1.016","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329059","10.799","0.003","11.796","0.003","19.958","0.005","83.723","0.004","83.818","0.004","73.733","0.004","2418","1.1","100","2","100","2","","","","","","","","10","P -1","-P 1","2","PtRh(tfepma)2(CNBut)Br3","","","- C23.5 H32 Br3 Cl F24 N3 O8 P4 Pt Rh -","- C23.5 H32 Br3 Cl F24 N3 O8 P4 Pt Rh -","- C47 H64 Br6 Cl2 F48 N6 O16 P8 Pt2 Rh2 -","2","1","","Timothy R. Cook; Brian D. McCarthy; Daniel A. Lutterman; Daniel G. Nocera","Halogen Oxidation and Halogen Photoelimination Chemistry of a Platinum-Rhodium Heterobimetallic Core","Inorganic Chemistry","2012","51","","5152","5163","10.1021/ic300004x","","","0.71073","MoKα","","0.0615","0.0462","","","0.1187","0.1285","","","","","","1.036","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329060","18.5258","0.0015","11.3342","0.0009","24.5896","0.0019","90","","108.065","0.001","90","","4908.7","0.7","100","2","100","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","trans PtRh(tfepma)2(tBuNC)Cl5","","","- C23.5 H31 Cl6 F24 N3 O8 P4 Pt Rh -","- C23.5 H31 Cl6 F24 N3 O8 P4 Pt Rh -","- C94 H124 Cl24 F96 N12 O32 P16 Pt4 Rh4 -","4","1","","Timothy R. Cook; Brian D. McCarthy; Daniel A. Lutterman; Daniel G. Nocera","Halogen Oxidation and Halogen Photoelimination Chemistry of a Platinum-Rhodium Heterobimetallic Core","Inorganic Chemistry","2012","51","","5152","5163","10.1021/ic300004x","","","0.71073","MoKα","","0.0378","0.03","","","0.0683","0.0726","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329061","11.614","0.003","19.203","0.006","24.826","0.006","109.141","0.004","90.643","0.004","98.998","0.004","5155","2","100","2","100","2","","","","","","","","10","P -1","-P 1","2","PtRh(tfepma)(tBuNC)Br5","","","- C23.75 H31.5 Br5 Cl1.5 F24 N3 O8 P4 Pt Rh -","- C23.75 H31.5 Br5 Cl1.5 F24 N3 O8 P4 Pt Rh -","- C95 H126 Br20 Cl6 F96 N12 O32 P16 Pt4 Rh4 -","4","2","","Timothy R. Cook; Brian D. McCarthy; Daniel A. Lutterman; Daniel G. Nocera","Halogen Oxidation and Halogen Photoelimination Chemistry of a Platinum-Rhodium Heterobimetallic Core","Inorganic Chemistry","2012","51","","5152","5163","10.1021/ic300004x","","","0.71073","MoKα","","0.0921","0.0654","","","0.1539","0.1667","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329062","13.3954","0.001","19.3358","0.0015","17.9128","0.0014","90","","95.503","0.001","90","","4618.2","0.6","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","PtRh(tfepma)2(CNBut)Cl3","","","- C23 H31 Cl3 F24 N3 O8 P4 Pt Rh -","- C23 H31 Cl3 F24 N3 O8 P4 Pt Rh -","- C92 H124 Cl12 F96 N12 O32 P16 Pt4 Rh4 -","4","1","","Timothy R. Cook; Brian D. McCarthy; Daniel A. Lutterman; Daniel G. Nocera","Halogen Oxidation and Halogen Photoelimination Chemistry of a Platinum-Rhodium Heterobimetallic Core","Inorganic Chemistry","2012","51","","5152","5163","10.1021/ic300004x","","","0.71073","MoKα","","0.0429","0.0327","","","0.0727","0.078","","","","","","1.028","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329063","29.54","0.009","9.348","0.003","20.501","0.006","90","","110.247","0.004","90","","5311","3","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H40 F3 N4 Ni O3 S3 -","- C19 F3 N4 Ni O3 S3 -","- C152 F24 N32 Ni8 O24 S24 -","8","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0899","","","","0.3137","","","","","","1.184","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329064","9.501","0.004","11.257","0.005","22.727","0.01","90","","94.519","0.01","90","","2423.2","1.8","173.1","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Cl2 N4 Ni S2 -","- C18 H40 Cl2 N4 Ni S2 -","- C72 H160 Cl8 N16 Ni4 S8 -","4","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0585","","","","0.1545","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329065","12.9215","0.0013","12.9799","0.0013","19.3935","0.0019","99.7353","0.0008","100.068","0.0014","100.669","0.0018","3078.3","0.5","123.1","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H62 B F24 N4 Ni O S2 -","- C54 H62 B F24 N4 Ni O S2 -","- C108 H124 B2 F48 N8 Ni2 O2 S4 -","2","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0735","","","","0.2116","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329066","9.7762","0.0014","16.381","0.002","18.872","0.003","90","","90.572","0.002","90","","3022.1","0.7","173.1","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 F6 N4 Ni O6 S4 -","- C20 H40 F6 N4 Ni O6 S4 -","- C80 H160 F24 N16 Ni4 O24 S16 -","4","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0445","","","","0.1085","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329067","12.315","0.003","13.054","0.004","18.427","0.005","89.158","0.009","87.784","0.008","86.825","0.009","2955.3","1.4","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H56 B F24 N4 Ni O S2 -","- C52 H41 B F24 N4 Ni O S2 -","- C104 H82 B2 F48 N8 Ni2 O2 S4 -","2","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.1006","","","","0.2711","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329068","10.024","0.002","13.095","0.003","11.323","0.003","90","","94.634","0.003","90","","1481.4","0.6","173.1","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 F6 N4 Ni O6 S4 -","- C20 H40 F6 N4 Ni O6 S4 -","- C40 H80 F12 N8 Ni2 O12 S8 -","2","0.5","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0638","","","","0.157","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329069","13.181","0.005","13.247","0.005","20.337","0.007","97.06","0.003","107.688","0.005","103.838","0.004","3211","2","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H66 B F24 N4 Ni O2 S2 -","- C56 H66 B F24 N4 Ni O2 S2 -","- C112 H132 B2 F48 N8 Ni2 O4 S4 -","2","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0759","","","","0.2386","","","","","","1.033","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329070","8.4501","0.0011","9.3231","0.0012","16.278","0.002","76.105","0.004","78.074","0.004","83.894","0.005","1215.8","0.3","173.1","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H39 Cl2 N5 Ni S2 -","- C18 H39 Cl2 N5 Ni S2 -","- C36 H78 Cl4 N10 Ni2 S4 -","2","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0317","","","","0.0775","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329071","9.907","0.002","13.538","0.003","18.939","0.005","90","","99.5","0.003","90","","2505.3","1","173.1","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H37 F3 N4 Ni O3 S3 -","- C18 H37 F3 N4 Ni O3 S3 -","- C72 H148 F12 N16 Ni4 O12 S12 -","4","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.066","","","","0.1814","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329072","7.509","0.0018","8.642","0.002","9.741","0.002","99.04","0.0015","97.791","0.004","109.709","0.003","575.5","0.2","123.1","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H40 Cl2 N4 Ni O2 S2 -","- C16 H36 Cl2 N4 Ni O2 S2 -","- C16 H36 Cl2 N4 Ni O2 S2 -","1","0.5","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0525","","","","0.1632","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329073","10.048","0.002","11.535","0.002","11.579","0.002","75.968","0.005","88.639","0.005","83.67","0.005","1294.1","0.4","173.1","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H35.5 F3.5 N4 Ni O3 S3 -","- C19 H35 F3.5 N4 Ni O3 S3 -","- C38 H70 F7 N8 Ni2 O6 S6 -","2","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0376","","","","0.096","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329074","12.662","0.003","16.384","0.003","13.884","0.003","90","","91.787","0.002","90","","2878.9","1.1","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 F6 N4 Ni O6 S4 -","- C18 H36 F6 N4 Ni O6 S4 -","- C72 H144 F24 N16 Ni4 O24 S16 -","4","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0712","","","","0.2013","","","","","","1.08","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329075","8.6154","0.0014","12.5521","0.0015","14.1876","0.0017","113.522","0.007","101.034","0.008","98.78","0.01","1335.3","0.3","173.1","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H37.5 F3.5 N4 Ni O3 S3 -","- C20 H37 F3.5 N4 Ni O3 S3 -","- C40 H74 F7 N8 Ni2 O6 S6 -","2","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0332","","","","0.0806","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329076","9.066","0.002","9.318","0.003","9.914","0.003","72.573","0.015","70.02","0.015","63.973","0.013","696.1","0.4","173.1","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H36 F6 N4 Ni O6 S4 -","- C18 H36 F6 N4 Ni O6 S4 -","- C18 H36 F6 N4 Ni O6 S4 -","1","0.5","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0422","","","","0.1068","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329077","18.709","0.003","11.982","0.002","9.4404","0.0017","90","","90","","90","","2116.3","0.6","173.1","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H32 F3 N4 Ni O3 S -","- C15 H32 F3 N4 Ni O3 S -","- C60 H128 F12 N16 Ni4 O12 S4 -","4","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0269","","","","0.0741","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329078","12.3465","0.0015","13.325","0.0015","17.4185","0.0018","71.676","0.005","70.96","0.004","86.426","0.006","2568.9","0.5","123.1","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C96 H92 B2 F48 N4 Ni O4 S2 -","- C96 H92 B2 F48 N4 Ni O4 S2 -","- C96 H92 B2 F48 N4 Ni O4 S2 -","1","0.5","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0807","","","","0.2392","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329079","39.672","0.018","8.106","0.003","36.949","0.018","90","","140.303","0.007","90","","7589","6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 B2 F8 Fe N10 -","- C38 H30 B2 F8 Fe N10 -","- C304 H240 B16 F64 Fe8 N80 -","8","1","","Kazuhiro Takahashi; Yuta Hasegawa; Ryota Sakamoto; Michihiro Nishikawa; Shoko Kume; Eiji Nishibori; Hiroshi Nishihara","Solid-State Ligand-Driven Light-Induced Spin Change at Ambient Temperatures in Bis(dipyrazolylstyrylpyridine)iron(II) Complexes","Inorganic Chemistry","2012","51","","5188","5198","10.1021/ic300030b","","","0.71073","","","","0.0927","","","","0.2656","","","","","","1.098","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329080","14.439","0.003","8.2491","0.0017","32.94","0.007","90","","99.954","0.003","90","","3864.4","1.4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 B F4 Fe0.5 N6 -","- C20 H14 B F4 Fe0.5 N6 -","- C160 H112 B8 F32 Fe4 N48 -","8","1","","Kazuhiro Takahashi; Yuta Hasegawa; Ryota Sakamoto; Michihiro Nishikawa; Shoko Kume; Eiji Nishibori; Hiroshi Nishihara","Solid-State Ligand-Driven Light-Induced Spin Change at Ambient Temperatures in Bis(dipyrazolylstyrylpyridine)iron(II) Complexes","Inorganic Chemistry","2012","51","","5188","5198","10.1021/ic300030b","","","0.71073","","","","0.0596","","","","0.1383","","","","","","1.164","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329081","7.9954","0.0013","36.339","0.006","15.344","0.003","90","","98.374","0.002","90","","4410.6","1.3","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 B2 F8 Fe N12 O5 -","- C41 H34 B2 F8 Fe N12 O5 -","- C164 H136 B8 F32 Fe4 N48 O20 -","4","1","","Kazuhiro Takahashi; Yuta Hasegawa; Ryota Sakamoto; Michihiro Nishikawa; Shoko Kume; Eiji Nishibori; Hiroshi Nishihara","Solid-State Ligand-Driven Light-Induced Spin Change at Ambient Temperatures in Bis(dipyrazolylstyrylpyridine)iron(II) Complexes","Inorganic Chemistry","2012","51","","5188","5198","10.1021/ic300030b","","","0.71073","","","","0.0815","","","","0.2158","","","","","","1.096","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329082","11.922","0.0017","12.889","0.0019","14.539","0.002","87.253","0.006","80.397","0.005","70.184","0.004","2072.3","0.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H31 B2 F8 Fe N13 O2 -","- C41 H31 B2 F8 Fe N13 O2 -","- C82 H62 B4 F16 Fe2 N26 O4 -","2","1","","Kazuhiro Takahashi; Yuta Hasegawa; Ryota Sakamoto; Michihiro Nishikawa; Shoko Kume; Eiji Nishibori; Hiroshi Nishihara","Solid-State Ligand-Driven Light-Induced Spin Change at Ambient Temperatures in Bis(dipyrazolylstyrylpyridine)iron(II) Complexes","Inorganic Chemistry","2012","51","","5188","5198","10.1021/ic300030b","","","0.71073","","","","0.0654","","","","0.1839","","","","","","1.048","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329083","10.832","0.006","13.326","0.007","16.01","0.009","107.925","0.006","101.946","0.005","104.959","0.006","2018.5","1.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 B2 F8 Fe N12 O5 -","- C38 H28 B2 F8 Fe N12 O5 -","- C76 H56 B4 F16 Fe2 N24 O10 -","2","1","","Kazuhiro Takahashi; Yuta Hasegawa; Ryota Sakamoto; Michihiro Nishikawa; Shoko Kume; Eiji Nishibori; Hiroshi Nishihara","Solid-State Ligand-Driven Light-Induced Spin Change at Ambient Temperatures in Bis(dipyrazolylstyrylpyridine)iron(II) Complexes","Inorganic Chemistry","2012","51","","5188","5198","10.1021/ic300030b","","","0.71073","","","","0.0608","","","","0.1646","","","","","","1.094","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329084","36.38","0.003","36.38","0.003","36.38","0.003","90","","90","","90","","48149","7","100","2","100","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C84 H48 Ni8 O118.72 P16 U12 -","- C84 H48 Ni8 O118.72 P16 U12 -","- C672 H384 Ni64 O949.76 P128 U96 -","8","0.0833333","","Pius O. Adelani; Allen G. Oliver; Thomas E. Albrecht-Schmitt","Uranyl Heteropolyoxometalate: Synthesis, Structure, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","4885","4887","10.1021/ic300035n","","","0.71073","MoKα","","0.0519","0.0344","","","0.0903","0.0969","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329085","9.987","0.0006","16.228","0.001","16.264","0.0011","115.42","0.005","100.09","0.005","98.44","0.005","2269.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Sm(C5-BPP)(NO3)3(DMF)]","","","- C33 H57 N12 O13 Sm -","- C33 H57 N12 O13 Sm -","- C66 H114 N24 O26 Sm2 -","2","1","","Antje Bremer; Christian M. Ruff; Denise Girnt; Udo Müllich; Jörg Rothe; Peter W. Roesky; Petra J. Panak; Alexei Karpov; Thomas J. J. Müller; Melissa A. Denecke; Andreas Geist","2,6-Bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine as a Ligand for Efficient Actinide(III)/Lanthanide(III) Separation","Inorganic Chemistry","2012","51","","5199","5207","10.1021/ic3000526","","","0.71073","MoKα","","0.0642","0.0476","","","0.1129","0.1194","","","","","","0.968","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329086","10.074","0.002","15.93","0.003","16.52","0.003","112.71","0.03","101.94","0.03","98.08","0.03","2320.2","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","[Eu(C5-BPP)(NO3)3(DMF)]","","","- C33 H57 Eu N12 O13 -","- C33 H57 Eu N12 O13 -","- C66 H114 Eu2 N24 O26 -","2","1","","Antje Bremer; Christian M. Ruff; Denise Girnt; Udo Müllich; Jörg Rothe; Peter W. Roesky; Petra J. Panak; Alexei Karpov; Thomas J. J. Müller; Melissa A. Denecke; Andreas Geist","2,6-Bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine as a Ligand for Efficient Actinide(III)/Lanthanide(III) Separation","Inorganic Chemistry","2012","51","","5199","5207","10.1021/ic3000526","","","0.71073","MoKα","","0.0951","0.0492","","","0.0878","0.0977","","","","","","0.808","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329087","16.108","0.003","28.455","0.006","16.291","0.003","90","","113.27","0.03","90","","6860","3","213","2","213","2","","","","","","","Crystals were grown by recystallization from acetonitrile","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 B N6 Ni2 O4 S2 V -","- C64 H90 B N6 Ni2 O4 S2 V -","- C256 H360 B4 N24 Ni8 O16 S8 V4 -","4","1","","Vasile Lozan; Jochen Lach; Berthold Kersting","Synthesis, Structure, and Reactivity of Dinuclear Nickel Amino-Thiophenolate Complexes Bearing Bridging VO2(OH)2- and VO2(OR)2- Coligands","Inorganic Chemistry","2012","51","","5213","5223","10.1021/ic300085f","","","0.71073","MoKα","","0.2498","0.0759","","","0.1659","0.1959","","","","","","0.639","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329088","16.184","0.003","16.065","0.003","16.414","0.003","72.01","0.03","64.2","0.03","66.63","0.03","3478.7","1.5","213","2","213","2","","","","","","","Crystals were grown by recystallization from acetonitrile","8","P -1","-P 1","2","","","","- C66 H94 B N6 Ni2 O4 S2 V -","- C66 H94 B N6 Ni2 O4 S2 V -","- C132 H188 B2 N12 Ni4 O8 S4 V2 -","2","1","","Vasile Lozan; Jochen Lach; Berthold Kersting","Synthesis, Structure, and Reactivity of Dinuclear Nickel Amino-Thiophenolate Complexes Bearing Bridging VO2(OH)2- and VO2(OR)2- Coligands","Inorganic Chemistry","2012","51","","5213","5223","10.1021/ic300085f","","","0.71073","MoKα","","0.0784","0.0593","","","0.1714","0.1795","","","","","","0.944","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329089","15.862","0.004","16.098","0.004","16.444","0.004","64.32","0.004","72.381","0.004","66.616","0.005","3429.7","1.5","213","2","213","2","","","","","","","Crystals were grown by recystallization from acetonitrile","8","P -1","-P 1","2","","","","- C64 H90 B N6 Ni2 O5 S2 V -","- C64 H90 B N6 Ni2 O5 S2 V -","- C128 H180 B2 N12 Ni4 O10 S4 V2 -","2","1","","Vasile Lozan; Jochen Lach; Berthold Kersting","Synthesis, Structure, and Reactivity of Dinuclear Nickel Amino-Thiophenolate Complexes Bearing Bridging VO2(OH)2- and VO2(OR)2- Coligands","Inorganic Chemistry","2012","51","","5213","5223","10.1021/ic300085f","","","0.71073","MoKα","","0.2125","0.0824","","","0.2116","0.2618","","","","","","0.635","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329090","15.915","0.003","16.087","0.003","16.577","0.003","64.64","0.03","72.34","0.03","66.26","0.03","3466.3","1.5","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H90 B N6 Ni2 O4 S2 V -","- C65.002 H90 B N6 Ni2 O4 S2 V -","- C130.004 H180 B2 N12 Ni4 O8 S4 V2 -","2","1","","Vasile Lozan; Jochen Lach; Berthold Kersting","Synthesis, Structure, and Reactivity of Dinuclear Nickel Amino-Thiophenolate Complexes Bearing Bridging VO2(OH)2- and VO2(OR)2- Coligands","Inorganic Chemistry","2012","51","","5213","5223","10.1021/ic300085f","","","0.71073","MoKα","","0.1202","0.0551","","","0.1216","0.1408","","","","","","0.835","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329091","16.016","0.002","16.114","0.002","16.455","0.002","64.01","0.03","72.2","0.03","66.46","0.03","3455.3","1.3","213","2","213","2","","","","","","","Crystals were grown by recystallization from acetonitrile","8","P -1","-P 1","2","","","","- C66 H92 B N6 Ni2 O5 S2 V -","- C66 H92 B N6 Ni2 O5 S2 V -","- C132 H184 B2 N12 Ni4 O10 S4 V2 -","2","1","","Vasile Lozan; Jochen Lach; Berthold Kersting","Synthesis, Structure, and Reactivity of Dinuclear Nickel Amino-Thiophenolate Complexes Bearing Bridging VO2(OH)2- and VO2(OR)2- Coligands","Inorganic Chemistry","2012","51","","5213","5223","10.1021/ic300085f","","","0.71073","MoKα","","0.1956","0.0888","","","0.2271","0.2678","","","","","","0.8","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329092","18.165","0.003","20.857","0.004","14.123","0.003","90","0.002","113.741","0.002","90","0.002","4897.9","1.6","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H67 Cu4 Li N4 O27 S4 -","- C31 H65 Cu4 Li N4 O27 S4 -","- C124 H260 Cu16 Li4 N16 O108 S16 -","4","0.5","","Marina V. Kirillova; Alexander M. Kirillov; André N. C. Martins; Claudia Graiff; Antonio Tiripicchio; Armando J. L. Pombeiro","Topologically Unique Heterometallic CuII/Li Coordination Polymers Self-Assembled from N,N-bis(2-Hydroxyethyl)-2-aminoethanesulfonic Acid Biobuffer: Versatile Catalyst Precursors for Mild Hydrocarboxylation of Alkanes to Carboxylic Acids","Inorganic Chemistry","2012","51","","5224","5234","10.1021/ic300123d","","","0.71073","MoKα","","0.1135","0.0569","","","0.0977","0.1137","","","","","","1.112","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329093","19.137","0.005","20.483","0.005","14.562","0.003","90","","117.006","0.004","90","","5086","2","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H67 Cu4 Li N4 O29 S4 -","- C31 H57 Cu4 Li N4 O29 S4 -","- C124 H228 Cu16 Li4 N16 O116 S16 -","4","0.5","","Marina V. Kirillova; Alexander M. Kirillov; André N. C. Martins; Claudia Graiff; Antonio Tiripicchio; Armando J. L. Pombeiro","Topologically Unique Heterometallic CuII/Li Coordination Polymers Self-Assembled from N,N-bis(2-Hydroxyethyl)-2-aminoethanesulfonic Acid Biobuffer: Versatile Catalyst Precursors for Mild Hydrocarboxylation of Alkanes to Carboxylic Acids","Inorganic Chemistry","2012","51","","5224","5234","10.1021/ic300123d","","","0.71073","MoKα","","0.0733","0.0382","","","0.0814","0.0908","","","","","","0.826","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329094","19.013","0.01","20.508","0.009","14.336","0.006","90","","116.428","0.008","90","","5006","4","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H67 Cu4 Li N4 O28 S4 -","- C31 H56 Cu4 Li N4 O28 S4 -","- C124 H224 Cu16 Li4 N16 O112 S16 -","4","0.5","","Marina V. Kirillova; Alexander M. Kirillov; André N. C. Martins; Claudia Graiff; Antonio Tiripicchio; Armando J. L. Pombeiro","Topologically Unique Heterometallic CuII/Li Coordination Polymers Self-Assembled from N,N-bis(2-Hydroxyethyl)-2-aminoethanesulfonic Acid Biobuffer: Versatile Catalyst Precursors for Mild Hydrocarboxylation of Alkanes to Carboxylic Acids","Inorganic Chemistry","2012","51","","5224","5234","10.1021/ic300123d","","","0.71073","MoKα","","0.0681","0.0402","","","0.1057","0.1176","","","","","","0.883","","","","has coordinates,has disorder","179393","2020-10-21","18:00:00",""
"4329095","8.8312","0.0019","8.8312","0.0019","7.3007","0.0023","90","","90","","90","","569.4","0.2","298","","298","","","","","","","","","4","P 42/m m c","-P 4c 2","131","","catena-4,4'-bipyrazolato-cd(ii) dimethylformamide solvate","","- C6 H4 N4 Zn -","- C6 H4 N4 Zn -","- C12 H8 N8 Zn2 -","2","0.125","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329096","10.09032","0.00012","10.09032","0.00012","21.25676","0.00038","90","","90","","120","","1874.29","0.05","298","","298","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","catena-4,4'-bipyrazolato-cd(ii) dimethylformamide solvate","","- C9 H11 Cd N5 O -","- C9 H11 Cd N5 O -","- C54 H66 Cd6 N30 O6 -","6","0.5","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329097","15.7895","0.0013","7.13275","0.00055","8.72068","0.0006","90","","90","","90","","982.15","0.13","298","","298","","","","","","","","","4","I m m a","-I 2b 2","74","","catena-4,4'-bipyrazolato-cu(ii) acetonitrile solvate","","- C8 H7 Cu N5 -","- C8 H7 Cu N5 -","- C32 H28 Cu4 N20 -","4","0.25","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329098","14.6599","0.0017","6.94944","0.0007","10.0239","0.0011","90","","90","","90","","1021.22","0.19","298","","298","","","","","","","","","4","I m m a","-I 2b 2","74","","catena-4,4'-bipyrazolato-ni(ii) acetonitrile solvate","","- C8 H7 N5 Ni -","- C8 H7 N5 Ni -","- C32 H28 N20 Ni4 -","4","0.25","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329099","8.23847","0.00036","13.31208","0.00065","8.05241","0.00051","90","","112.333","0.0026","90","","816.88","0.08","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-bis(4,4'-bipyrazole)-cu(ii) bis-nitrate","","- C12 H12 Cu N10 O6 -","- C12 H12 Cu N10 O6 -","- C24 H24 Cu2 N20 O12 -","2","0.5","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329100","4.997105","0.000018","7.22401","0.00027","10.79028","0.00057","112.954","0.00243","97.9","0.00314","70.1374","0.00303","337.34","0.02","298","","298","","","","","","","","","5","P -1","-P 1","2","","catena-4,4'-bipyrazole-cd(ii) bis-acetate","","- C10 H12 Cd N4 O4 -","- C10 H12 Cd N4 O4 -","- C10 H12 Cd N4 O4 -","1","0.5","","Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi","Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand","Inorganic Chemistry","2012","51","","5235","5245","10.1021/ic3001416","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329101","16.853","0.009","24.998","0.013","9.728","0.005","90","","90","","90","","4098","4","213","2","213","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H40 Cl6 F6 N12 P Re2 -","- C26 H40 Cl6 F6 N12 P Re2 -","- C104 H160 Cl24 F24 N48 P4 Re8 -","4","0.5","","Gina M. Chiarella; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Zhenxing Wang; Mark D. Young","Direct Evidence from Electron Paramagnetic Resonance for Additional Configurations in Uncommon Paddlewheel Re27+ Units Surrounded by an Unsymmetrical Bicyclic Guanidinate","Inorganic Chemistry","2012","51","","5257","5263","10.1021/ic300169f","","","0.71073","MoKα","","0.0732","0.0505","","","0.1258","0.1378","","","","","","1.15","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329102","10.046","0.008","10.935","0.008","13.492","0.01","85.469","0.012","79.659","0.012","79.016","0.012","1429.8","1.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Cl21 N12 Re2 -","- C30 H46 Cl21 N12 Re2 -","- C30 H46 Cl21 N12 Re2 -","1","0.5","","Gina M. Chiarella; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Zhenxing Wang; Mark D. Young","Direct Evidence from Electron Paramagnetic Resonance for Additional Configurations in Uncommon Paddlewheel Re27+ Units Surrounded by an Unsymmetrical Bicyclic Guanidinate","Inorganic Chemistry","2012","51","","5257","5263","10.1021/ic300169f","","","0.71073","MoKα","","0.0691","0.0501","","","0.1193","0.1316","","","","","","1.078","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329103","16.5175","0.0013","17.4347","0.0014","17.5012","0.0014","90","","90","","90","","5040","0.7","110","2","110","2","","","","","","","","7","C m m a","-C 2a 2","67","","","","- C38.75 H46 F8.5 N12 O9.5 Re2 S3.25 -","- C38.792 H46 F8.376 N12 O9.624 Re2 S3.208 -","- C155.168 H184 F33.504 N48 O38.496 Re8 S12.832 -","4","0.25","","Gina M. Chiarella; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Zhenxing Wang; Mark D. Young","Direct Evidence from Electron Paramagnetic Resonance for Additional Configurations in Uncommon Paddlewheel Re27+ Units Surrounded by an Unsymmetrical Bicyclic Guanidinate","Inorganic Chemistry","2012","51","","5257","5263","10.1021/ic300169f","","","0.71073","MoKα","","0.0553","0.0481","","","0.1238","0.1275","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329104","25.3645","0.0009","15.182","0.0006","19.7167","0.0007","90","","94.998","0.002","90","","7563.7","0.5","90","","90","","","","","","","","","6","C 1 2/m 1","-C 2y","12","Gd@C82/NiOEP/1.4benzene/0.6chloroform","","","- C127 H53 Cl1.8 Gd N4 Ni -","- C124.72 H50.72 Cl1.8 Gd N4 Ni -","- C498.88 H202.88 Cl7.2 Gd4 N16 Ni4 -","4","0.5","","Mitsuaki Suzuki; Xing Lu; Satoru Sato; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Where Does the Metal Cation Stay in Gd@C2v(9)-C82? A Single-Crystal X-ray Diffraction Study","Inorganic Chemistry","2012","51","","5270","5273","10.1021/ic300186y","","","0.71073","MoKα","","0.0778","0.0654","","","0.1745","0.1858","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329105","12.856","0.002","22.321","0.004","10.5277","0.0014","90","","120.98","0.004","90","","2590.1","0.7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C40 H47 Cl2 Mn3 N4 Na O24 -","- C40 H47 Cl2 Mn3 N4 Na O24 -","- C80 H94 Cl4 Mn6 N8 Na2 O48 -","2","0.5","","Sandip Mukherjee; Yogesh P. Patil; Partha Sarathi Mukherjee","Two Novel Heterometallic Chains Featuring MnII and NaI Ions in Trigonal-Prismatic Geometries Alternately Linked to Octahedral MnIV Ions: Synthesis, Structures, and Magnetic Behavior","Inorganic Chemistry","2012","51","","4888","4890","10.1021/ic300209y","","","0.71073","MoKα","","0.1689","0.0752","","","0.1814","0.2334","","","","","","0.974","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329106","12.847","0.003","22.558","0.005","10.458","0.002","90","","120.78","0.03","90","","2603.8","1.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H50 Cl2 Mn3 N4 Na O24 -","- C44 H50 Cl2 Mn3 N4 Na O24 -","- C88 H100 Cl4 Mn6 N8 Na2 O48 -","2","0.5","","Sandip Mukherjee; Yogesh P. Patil; Partha Sarathi Mukherjee","Two Novel Heterometallic Chains Featuring MnII and NaI Ions in Trigonal-Prismatic Geometries Alternately Linked to Octahedral MnIV Ions: Synthesis, Structures, and Magnetic Behavior","Inorganic Chemistry","2012","51","","4888","4890","10.1021/ic300209y","","","0.71073","MoKα","","0.0651","0.0606","","","0.1623","0.1665","","","","","","1.059","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329107","4.1266","0.0002","6.6989","0.0004","7.8383","0.0004","90","","99.672","0.003","90","","213.6","0.02","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Silver sulfide","","","- Ag2 S -","- Ag2 S -","- Ag8 S4 -","4","1","","David Santamaría-Pérez; Miriam Marqués; Raquel Chuliá-Jordán; José Manuel Menendez; Oscar Gomis; Javier Ruiz-Fuertes; Juan Antonio Sans; Daniel Errandonea; José Manuel Recio","Compression of Silver Sulfide: X-ray Diffraction Measurements and Total-Energy Calculations","Inorganic Chemistry","2012","51","","5289","5298","10.1021/ic300236p","powder diffraction","","0.4246","SynchrotronX-rayradiation","","","","","","","","","0.024809","","","","","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329108","6.725","0.0012","4.1479","0.0012","7.2945","0.0011","90","","90","","90","","203.48","0.08","293","","293","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","Silver sulfide","","","- Ag2 S -","- Ag2 S -","- Ag8 S4 -","4","1","","David Santamaría-Pérez; Miriam Marqués; Raquel Chuliá-Jordán; José Manuel Menendez; Oscar Gomis; Javier Ruiz-Fuertes; Juan Antonio Sans; Daniel Errandonea; José Manuel Recio","Compression of Silver Sulfide: X-ray Diffraction Measurements and Total-Energy Calculations","Inorganic Chemistry","2012","51","","5289","5298","10.1021/ic300236p","powder diffraction","","0.7107","MoKα","","","","","","","","","0.025906","","","","","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329109","4.092","0.0008","5.7519","0.0013","7.9702","0.0017","90","","93.819","0.015","90","","187.18","0.07","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Silver sulfide","","","- Ag2 S -","- Ag2 S -","- Ag8 S4 -","4","1","","David Santamaría-Pérez; Miriam Marqués; Raquel Chuliá-Jordán; José Manuel Menendez; Oscar Gomis; Javier Ruiz-Fuertes; Juan Antonio Sans; Daniel Errandonea; José Manuel Recio","Compression of Silver Sulfide: X-ray Diffraction Measurements and Total-Energy Calculations","Inorganic Chemistry","2012","51","","5289","5298","10.1021/ic300236p","powder diffraction","","0.4246","SynchrotronX-rayradiation","","","","","","","","","0.037249","","","","","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329110","6.0783","0.0002","8.6457","0.0002","16.1954","0.0005","77.801","0.002","88.351","0.002","83.637","0.001","826.73","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 O30 Tb2 -","- C18 H16 O33 Tb2 -","- C18 H16 O33 Tb2 -","1","0.5","","Sudip Mohapatra; Sangita Adhikari; Hiranya Riju; Tapas Kumar Maji","Terbium(III), Europium(III), and Mixed Terbium(III)-Europium(III) Mucicate Frameworks: Hydrophilicity and Stoichiometry-Dependent Color Tunability","Inorganic Chemistry","2012","51","","4891","4893","10.1021/ic300237e","","","0.71073","MoKα","","0.0401","0.0343","","","0.081","0.0919","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329111","8.5574","0.0008","8.8061","0.0008","9.8454","0.0009","98.523","0.004","112.604","0.004","108.548","0.004","617.57","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 O12 Tb -","- C7 H4 O12 Tb -","- C14 H8 O24 Tb2 -","2","1","","Sudip Mohapatra; Sangita Adhikari; Hiranya Riju; Tapas Kumar Maji","Terbium(III), Europium(III), and Mixed Terbium(III)-Europium(III) Mucicate Frameworks: Hydrophilicity and Stoichiometry-Dependent Color Tunability","Inorganic Chemistry","2012","51","","4891","4893","10.1021/ic300237e","","","0.71073","MoKα","","0.053","0.0439","","","0.1127","0.1173","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329112","6.8591","0.0007","12.1439","0.0012","9.0198","0.0009","90","","110.751","0.0014","90","","702.58","0.12","298","2","298","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba2 Cu6.64 Te6 -","- Ba2 Cu6.639 Te6 -","- Ba4 Cu13.278 Te12 -","2","0.5","","Bryan A. Kuropatwa; Abdeljalil Assoud; Holger Kleinke","Crystal Structure and Physical Properties of the New One-Dimensional Metal Ba2Cu7-xTe6","Inorganic Chemistry","2012","51","","5299","5304","10.1021/ic300239c","","","0.71073","MoKα","","0.0507","0.0473","","","0.122","0.1231","","","","","","1.571","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329113","6.1635","0.0006","15.8852","0.0015","6.78","0.0007","90","","104.003","0.004","90","","644.09","0.11","296","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Silver(I) 5-(1-methylhydrazinyl)tetrazol-1-ide hydrate","","- C2 H7 Ag N6 O -","- C2 H7 Ag N6 O -","- C8 H28 Ag4 N24 O4 -","4","1","","Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve","Nitrogen-Rich 5-(1-Methylhydrazinyl)tetrazole and its Copper and Silver Complexes","Inorganic Chemistry","2012","51","","5305","5312","10.1021/ic300242e","","","1.54178","CuKα","","0.0383","0.0382","","","0.1057","0.1058","","","","","","1.094","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329114","3.8713","0.0018","12.77","0.006","9.974","0.005","90","","93.397","0.006","90","","492.2","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(1-methylhydrazinyl)-1H-tetrazole","","- C2 H6 N6 -","- C2 H6 N6 -","- C8 H24 N24 -","4","1","","Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve","Nitrogen-Rich 5-(1-Methylhydrazinyl)tetrazole and its Copper and Silver Complexes","Inorganic Chemistry","2012","51","","5305","5312","10.1021/ic300242e","","","0.71073","MoKα","","0.0444","0.0399","","","0.1027","0.1059","","","","","","1.089","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329115","6.2643","0.0002","9.6889","0.0003","7.8137","0.0003","90","","92.633","0.001","90","","473.75","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cu N12 -","- C4 H10 Cu N12 -","- C8 H20 Cu2 N24 -","2","0.5","","Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve","Nitrogen-Rich 5-(1-Methylhydrazinyl)tetrazole and its Copper and Silver Complexes","Inorganic Chemistry","2012","51","","5305","5312","10.1021/ic300242e","","","0.71073","MoKα","","0.0207","0.0204","","","0.0611","0.0613","","","","","","1.136","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4329116","15.485","0.003","17.491","0.004","12.434","0.003","90","","90","","90","","3367.7","1.3","90","2","90","2","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C6 H0 Fe La4 Mo12 N6 O72 P -","- C6 Fe La4 Mo12 N6 O72 P -","- C12 Fe2 La8 Mo24 N12 O144 P2 -","2","0.25","","Jean-Daniel Compain; Koji Nakabayashi; Shin-ichi Ohkoshi","A Polyoxometalate-Cyanometalate Multilayered Coordination Network","Inorganic Chemistry","2012","51","","4897","4899","10.1021/ic300263f","","","0.6889","synchrotron","","0.1027","0.0549","","","0.1191","0.1318","","","","","","0.895","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329117","9.036","0.005","11.59","0.014","13.339","0.015","90","0.13","96.52","0.1","90","0.08","1388","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Mn2 N10 O4 -","- C22 H32 Mn2 N10 O4 -","- C44 H64 Mn4 N20 O8 -","2","0.5","","Subrata Naiya; Saptarshi Biswas; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh","A Ferromagnetic Methoxido-Bridged Mn(III) Dimer and a Spin-Canted Metamagnetic μ1,3-Azido-Bridged Chain","Inorganic Chemistry","2012","51","","5332","5341","10.1021/ic300274n","","","0.71073","MoKα","","0.1338","0.0474","","","0.0835","0.0983","","","","","","0.749","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329118","6.7361","0.0003","19.6039","0.0014","21.5481","0.0017","90","","95.929","0.005","90","","2830.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Mn2 N16 O2 -","- C22 H30 Mn2 N16 O2 -","- C88 H120 Mn8 N64 O8 -","4","1","","Subrata Naiya; Saptarshi Biswas; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh","A Ferromagnetic Methoxido-Bridged Mn(III) Dimer and a Spin-Canted Metamagnetic μ1,3-Azido-Bridged Chain","Inorganic Chemistry","2012","51","","5332","5341","10.1021/ic300274n","","","0.71073","MoKα","","0.1525","0.0536","","","0.0939","0.1068","","","","","","0.74","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329119","10.0726","0.00015","14.8747","0.0002","10.1921","0.0002","90","","107.673","0.0006","90","","1454.98","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Fe K4 O26 -","- C20 H14 Fe K4 O26 -","- C40 H28 Fe2 K8 O52 -","2","0.5","","Matteo Atzori; Elisa Sessini; Flavia Artizzu; Luca Pilia; Angela Serpe; Carlos J. Gómez-García; Carlos Giménez-Saiz; Paola Deplano; Maria Laura Mercuri","Synthesis and Physical Properties of K4[Fe(C5O5)2(H2O)2](HC5O5)2.4H2O (C5O52-= Croconate): A Rare Example of Ferromagnetic Coupling via H-bonds","Inorganic Chemistry","2012","51","","5360","5367","10.1021/ic300331e","","","0.71073","MoKα","","0.0907","0.0426","","","0.0904","0.1075","","","","","","1.017","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329120","21.5181","0.0016","20.5686","0.0014","33.051","0.002","90","","90","","90","","14628.3","1.7","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H80 N2 O2 Pt -","- C72 H80 N2 O2 Pt -","- C576 H640 N16 O16 Pt8 -","8","1","","Tracy L. Lohr; Warren E. Piers; Masood Parvez","Monomeric Platinum(II) Hydroxides Supported by Sterically Dominant α-Diimine Ligands","Inorganic Chemistry","2012","51","","4900","4902","10.1021/ic300337a","","","0.71073","MoKα","","0.1578","0.1159","","","0.2331","0.2514","","","","","","1.117","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329121","18.762","0.002","22.787","0.002","33.498","0.003","90","","90","","90","","14321","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H96 Cl2 N2 O4 Pt -","- C72 H96 Cl2 N2 O4 Pt -","- C576 H768 Cl16 N16 O32 Pt8 -","8","1","","Tracy L. Lohr; Warren E. Piers; Masood Parvez","Monomeric Platinum(II) Hydroxides Supported by Sterically Dominant α-Diimine Ligands","Inorganic Chemistry","2012","51","","4900","4902","10.1021/ic300337a","","","0.71073","MoKα","","0.0735","0.0482","","","0.0828","0.0934","","","","","","1.098","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329122","21.362","0.0005","10.8747","0.0002","32.7921","0.0007","90","","116.201","0.0013","90","","6835.1","0.3","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C79 H88 Cl2 N2 Pt -","- C79 H88 Cl2 N2 Pt -","- C316 H352 Cl8 N8 Pt4 -","4","1","","Tracy L. Lohr; Warren E. Piers; Masood Parvez","Monomeric Platinum(II) Hydroxides Supported by Sterically Dominant α-Diimine Ligands","Inorganic Chemistry","2012","51","","4900","4902","10.1021/ic300337a","","","0.71073","MoKα","","0.1204","0.088","","","0.1584","0.1755","","","","","","1.251","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329123","10.829","0.0001","19.6712","0.0004","20.7832","0.0004","63.472","0.0008","77.1088","0.001","74.1902","0.001","3784.73","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H101 Cl N2 O4 Pt -","- C85 H101 Cl N2 O4 Pt -","- C170 H202 Cl2 N4 O8 Pt2 -","2","1","","Tracy L. Lohr; Warren E. Piers; Masood Parvez","Monomeric Platinum(II) Hydroxides Supported by Sterically Dominant α-Diimine Ligands","Inorganic Chemistry","2012","51","","4900","4902","10.1021/ic300337a","","","0.71073","MoKα","","0.0451","0.0382","","","0.0857","0.0901","","","","","","1.232","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329124","7.8759","0.0006","8.1509","0.0005","8.8076","0.0006","82.943","0.005","65.326","0.005","66.918","0.005","472.09","0.06","200","0.2","200","0.2","","","","","","","","4","P -1","-P 1","2","","","","- Mo2 O11 Se2 Sr -","- Mo2 O11 Se2 Sr -","- Mo4 O22 Se4 Sr2 -","2","1","","Seung-Jin Oh; Dong Woo Lee; Kang Min Ok","Influence of the Cation Size on the Framework Structures and Space Group Centricities in AMo2O5(SeO3)2 (A = Sr, Pb, and Ba)","Inorganic Chemistry","2012","51","","5393","5399","10.1021/ic3003564","","","0.71073","MoKα","","0.08","0.0522","","","0.1155","0.1262","","","","","","1.005","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329125","7.856","0.0006","8.2307","0.0006","8.8381","0.0006","82.881","0.004","64.843","0.004","66.419","0.004","473.34","0.06","200","0.2","200","0.2","","","","","","","","4","P -1","-P 1","2","","","","- Mo2 O11 Pb Se2 -","- Mo2 O11 Pb Se2 -","- Mo4 O22 Pb2 Se4 -","2","1","","Seung-Jin Oh; Dong Woo Lee; Kang Min Ok","Influence of the Cation Size on the Framework Structures and Space Group Centricities in AMo2O5(SeO3)2 (A = Sr, Pb, and Ba)","Inorganic Chemistry","2012","51","","5393","5399","10.1021/ic3003564","","","0.71073","MoKα","","0.0709","0.0566","","","0.1452","0.1585","","","","","","1.054","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329126","13.2257","0.0003","12.6283","0.0003","8.78833","0.00018","90","","90","","90","","1467.81","0.06","298.3","","298.3","","","","","","","","","3","P n m a","-P 2ac 2n","62","p-LH2","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","0.5","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao","Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5409","5416","10.1021/ic3003806","","","1.5418","CuKα","","0.0517","0.0459","","","0.1332","0.1406","","","","","","1.067","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329127","17.7839","0.0013","8.5189","0.0003","11.8682","0.0008","90","","124.449","0.01","90","","1482.7","0.2","298.3","","298.3","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","o-LH2","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","0.5","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao","Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5409","5416","10.1021/ic3003806","","","1.5418","CuKα","","0.0582","0.055","","","0.1716","0.1775","","","","","","1.098","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329128","11.0255","0.0003","11.1307","0.0003","12.0879","0.0003","104.425","0.002","103.075","0.002","108.667","0.002","1283.2","0.07","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","compound 1","","","- C40 H44 Cl2 Cu2 N4 O14 S2 -","- C40 H44 Cl2 Cu2 N4 O14 S2 -","- C40 H44 Cl2 Cu2 N4 O14 S2 -","1","0.5","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao","Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5409","5416","10.1021/ic3003806","","","0.7107","MoKα","","0.048","0.0353","","","0.1023","0.1057","","","","","","0.987","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329129","12.334","0.0006","13.2732","0.0005","18.3581","0.001","78.327","0.004","81.739","0.004","64.461","0.004","2650.3","0.2","140","","140","","","","","","","","","7","P -1","-P 1","2","compound 2","","","- C44 H56 Cl2 Cu2 N4 O16 S4 -","- C44 H56 Cl2 Cu2 N4 O16 S4 -","- C88 H112 Cl4 Cu4 N8 O32 S8 -","2","1","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao","Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5409","5416","10.1021/ic3003806","","","1.5418","CuKα","","0.0829","0.0718","","","0.2164","0.224","","","","","","1.04","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329130","20.1413","0.0002","17.7925","0.0002","28.3123","0.0003","90","","90","","90","","10146.1","0.19","150.15","","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3","","","- C45 H54 Cl2 Cu2 N4 O17 -","- C45 H54 Cl2 Cu2 N4 O17 -","- C360 H432 Cl16 Cu16 N32 O136 -","8","1","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao","Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5409","5416","10.1021/ic3003806","","","1.5418","CuKα","","0.0673","0.0595","","","0.1598","0.1664","","","","","","1.047","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329131","14.2074","0.0012","16.275","0.002","16.712","0.003","90","","92.667","0.001","90","","3860.1","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 Cl2 N O P2 Ru S -","- C42 H45 Cl2 N O P2 Ru S -","- C168 H180 Cl8 N4 O4 P8 Ru4 S4 -","4","1","","Erin S. F. Ma; Steven J. Rettig; Brian O. Patrick; Brian R. James","Ruthenium(II) Thiol and H2S Complexes: Synthesis, Characterization, and Thermodynamic Properties","Inorganic Chemistry","2012","51","","5427","5434","10.1021/ic3004118","","","0.7107","MoKα","","0.078","0.0548","","","0.117","0.1256","","","","","","1.181","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329132","16.6933","0.0008","12.4262","0.0012","21.8288","0.0006","90","","106.331","0.001","90","","4345.3","0.5","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H50 Cl2 N P2 Ru S -","- C48.862 H49.862 Cl2 N P2 Ru S -","- C195.448 H199.448 Cl8 N4 P8 Ru4 S4 -","4","1","","Erin S. F. Ma; Steven J. Rettig; Brian O. Patrick; Brian R. James","Ruthenium(II) Thiol and H2S Complexes: Synthesis, Characterization, and Thermodynamic Properties","Inorganic Chemistry","2012","51","","5427","5434","10.1021/ic3004118","","","0.7107","MoKα","","0.0535","0.0331","","","0.081","0.089","","","","","","1.059","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329133","12.2727","0.0008","15.3327","0.0008","15.7225","0.0006","90","","90","","90","","2958.6","0.3","122","1","122","2","","","","","","","","7","I 2 2 2","I 2 2","23","Cr-F-Nd Bipy square","","","- C40 H32 Cr2 F4 N16 Nd2 O24 -","- C40 H32 Cr2 F4 N16 Nd2 O24 -","- C80 H64 Cr4 F8 N32 Nd4 O48 -","2","0.25","","Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix","Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry","Inorganic Chemistry","2012","51","","5435","5443","10.1021/ic300421x","","","0.71073","MoKα","","0.088","0.0827","","","0.2217","0.2269","","","","","","1.102","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329134","17.5173","0.0015","17.5173","0.0014","20.896","0.003","90","","90","","90","","6412.1","1.2","122","1","122","1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","Cr-F-Gd square","","","- C52 H48 Cr2 F4 Gd2 N16 O29 -","- C52 H48 Cr2 F4 Gd2 N16 O29 -","- C208 H192 Cr8 F16 Gd8 N64 O116 -","4","0.25","","Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix","Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry","Inorganic Chemistry","2012","51","","5435","5443","10.1021/ic300421x","","","0.71073","MoKα","","0.0702","0.0378","","","0.07","0.0949","","","","","","1.382","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329135","24.242","0.002","15.402","0.002","24.956","0.004","90","","92.042","0.01","90","","9312","2","122","1","122","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cr2 F45 Ho3 N13 O12 -","- C60 H69 Cr2 F45 Ho3 N13 O12 -","- C240 H276 Cr8 F180 Ho12 N52 O48 -","4","1","","Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix","Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry","Inorganic Chemistry","2012","51","","5435","5443","10.1021/ic300421x","","","0.71073","MoKα","","0.072","0.0496","","","0.108","0.1218","","","","","","1.146","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329136","24.409","0.004","15.508","0.007","24.971","0.005","90","","92.2","0.02","90","","9445","5","122","1","122","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cr2 F45 Gd3 N13 O12 -","- C60 H69 Cr2 F45 Gd3 N13 O12 -","- C240 H276 Cr8 F180 Gd12 N52 O48 -","4","1","","Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix","Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry","Inorganic Chemistry","2012","51","","5435","5443","10.1021/ic300421x","","","0.71073","MoKα","","0.1195","0.0767","","","0.1772","0.2202","","","","","","1.175","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329137","13.888","0.002","11.5583","0.0017","40.336","0.006","90","","99.062","0.002","90","","6394","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 Cr2 F7 N20 Nd3 O25 -","- C30 H62 Cr2 F7 N20 Nd3 O25 -","- C120 H248 Cr8 F28 N80 Nd12 O100 -","4","1","","Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix","Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry","Inorganic Chemistry","2012","51","","5435","5443","10.1021/ic300421x","","","0.71073","MoKα","","0.1212","0.0939","","","0.2297","0.2443","","","","","","1.188","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329138","14.958","0.002","20.615","0.003","20.993","0.003","90","","102.314","0.006","90","","6324.5","1.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","3","","- C54.5 H54.47 Cl7 Co2 N3 O9 P3 -","- C54.498 H54.47 Cl6.99 Co2 N3 O9 P3 -","- C217.992 H217.88 Cl27.96 Co8 N12 O36 P12 -","4","1","","John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck","Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L""], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]","Inorganic Chemistry","2012","51","","4903","4905","10.1021/ic3004799","","x-ray","0.71073","MoKα","","0.0797","0.0555","","","0.153","0.1748","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329139","13.785","0.003","13.785","0.003","57.28","0.02","90","","90","","120","","9426","4","291","2","291","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","","1 at 291","","- C62 H62 Cl Co2 N4 O10 P3 -","- C61.95 H61.95 Cl Co2 N3.99 O10 P3 -","- C371.7 H371.7 Cl6 Co12 N23.94 O60 P18 -","6","0.333333","","John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck","Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L""], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]","Inorganic Chemistry","2012","51","","4903","4905","10.1021/ic3004799","","x-ray","0.71073","MoKα","","0.1469","0.049","","","0.1025","0.1292","","","","","","0.974","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329140","13.526","0.001","13.526","0.001","57.341","0.004","90","","90","","120","","9085.2","1.1","100","2","100","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","","1 at 100","","- C62 H62 Cl Co2 N4 O10 P3 -","- C61.95 H61.95 Cl Co1.99 N3.99 O10 P3 -","- C371.7 H371.7 Cl6 Co11.94 N23.94 O60 P18 -","6","0.333333","","John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck","Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L""], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]","Inorganic Chemistry","2012","51","","4903","4905","10.1021/ic3004799","","x-ray","0.71069","MoKα","","0.0849","0.0518","","","0.1126","0.1328","","","","","","1.018","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329141","22.76","0.002","22.76","0.002","22.76","0.002","90","","90","","90","","11790.1","1.8","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","2","","- C57 H57 Cl Co2 N3 O6 P3 -","- C57 H57 Cl Co2 N3 O6 P3 -","- C456 H456 Cl8 Co16 N24 O48 P24 -","8","0.333333","","John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck","Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L""], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]","Inorganic Chemistry","2012","51","","4903","4905","10.1021/ic3004799","","x-ray","0.71069","MoKα","","0.1372","0.0804","","","0.211","0.2441","","","","","","1.115","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329142","13.5706","0.0004","15.5783","0.0005","14.5196","0.0004","90","","97.2967","0.0003","90","","3044.69","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2","","","- C28 H46 Ge N2 Si2 -","- C28 H46 Ge N2 Si2 -","- C112 H184 Ge4 N8 Si8 -","4","1","","Sean K. Liew; S. M. Ibrahim Al-Rafia; James T. Goettel; Paul A. Lummis; Sean M. McDonald; Leah J. Miedema; Michael J. Ferguson; Robert McDonald; Eric Rivard","Expanding the Steric Coverage Offered by Bis(amidosilyl) Chelates: Isolation of Low-Coordinate N-Heterocyclic Germylene Complexes","Inorganic Chemistry","2012","51","","5471","5480","10.1021/ic300495k","","","0.71073","MoKα","","0.0299","0.025","","","0.0731","0.0763","","","","","","1.039","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329143","9.1347","0.0005","10.0168","0.0005","19.1344","0.001","76.6557","0.0005","86.6259","0.0005","66.6516","0.0005","1562.99","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","3","","","- C28 H46 N2 Si2 Sn -","- C28 H46 N2 Si2 Sn -","- C56 H92 N4 Si4 Sn2 -","2","1","","Sean K. Liew; S. M. Ibrahim Al-Rafia; James T. Goettel; Paul A. Lummis; Sean M. McDonald; Leah J. Miedema; Michael J. Ferguson; Robert McDonald; Eric Rivard","Expanding the Steric Coverage Offered by Bis(amidosilyl) Chelates: Isolation of Low-Coordinate N-Heterocyclic Germylene Complexes","Inorganic Chemistry","2012","51","","5471","5480","10.1021/ic300495k","","","0.71073","MoKα","","0.0199","0.0186","","","0.0527","0.0586","","","","","","1.129","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329144","9.96","0.002","14.101","0.003","15.228","0.003","102.871","0.003","93.857","0.003","107.097","0.002","1972.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","4","","","- C67 H108 Ge2 N4 O S2 Si4 -","- C67 H108 Ge2 N4 O S2 Si4 -","- C67 H108 Ge2 N4 O S2 Si4 -","1","0.5","","Sean K. Liew; S. M. Ibrahim Al-Rafia; James T. Goettel; Paul A. Lummis; Sean M. McDonald; Leah J. Miedema; Michael J. Ferguson; Robert McDonald; Eric Rivard","Expanding the Steric Coverage Offered by Bis(amidosilyl) Chelates: Isolation of Low-Coordinate N-Heterocyclic Germylene Complexes","Inorganic Chemistry","2012","51","","5471","5480","10.1021/ic300495k","","","0.71073","MoKα","","0.1149","0.087","","","0.2477","0.2703","","","","","","1.084","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329145","10.1381","0.0003","11.5933","0.0004","11.6907","0.0004","83.9233","0.0003","65.1785","0.0003","89.4459","0.0003","1239.19","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","5","","","- C27 H33 Cl Si -","- C27 H33 Cl Si -","- C54 H66 Cl2 Si2 -","2","1","","Sean K. Liew; S. M. Ibrahim Al-Rafia; James T. Goettel; Paul A. Lummis; Sean M. McDonald; Leah J. Miedema; Michael J. Ferguson; Robert McDonald; Eric Rivard","Expanding the Steric Coverage Offered by Bis(amidosilyl) Chelates: Isolation of Low-Coordinate N-Heterocyclic Germylene Complexes","Inorganic Chemistry","2012","51","","5471","5480","10.1021/ic300495k","","","0.71073","MoKα","","0.054","0.0497","","","0.1387","0.1428","","","","","","1.058","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329146","15.0786","0.0016","6.8829","0.0007","23.297","0.003","90","","93.6135","0.0014","90","","2413.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7","","","- C27 H35 N Si -","- C27 H35 N Si -","- C108 H140 N4 Si4 -","4","1","","Sean K. Liew; S. M. Ibrahim Al-Rafia; James T. Goettel; Paul A. Lummis; Sean M. McDonald; Leah J. Miedema; Michael J. Ferguson; Robert McDonald; Eric Rivard","Expanding the Steric Coverage Offered by Bis(amidosilyl) Chelates: Isolation of Low-Coordinate N-Heterocyclic Germylene Complexes","Inorganic Chemistry","2012","51","","5471","5480","10.1021/ic300495k","","","0.71073","MoKα","","0.0559","0.0371","","","0.0915","0.1018","","","","","","1.016","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329147","18.6549","0.0005","16.2623","0.0004","21.0055","0.0005","90","","116.425","0.001","90","","5706.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","12","","","- C58 H78 Ge N2 Si4 -","- C58 H78 Ge N2 Si4 -","- C232 H312 Ge4 N8 Si16 -","4","1","","Sean K. Liew; S. M. Ibrahim Al-Rafia; James T. Goettel; Paul A. Lummis; Sean M. McDonald; Leah J. Miedema; Michael J. Ferguson; Robert McDonald; Eric Rivard","Expanding the Steric Coverage Offered by Bis(amidosilyl) Chelates: Isolation of Low-Coordinate N-Heterocyclic Germylene Complexes","Inorganic Chemistry","2012","51","","5471","5480","10.1021/ic300495k","","","1.54178","CuKα","","0.0811","0.0675","","","0.1791","0.1928","","","","","","1.053","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329148","15.3279","0.0011","16.5942","0.0012","16.8715","0.0013","62.851","0.003","66.564","0.004","83.17","0.004","3493.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H188 Ge2 N4 S2 Si6 -","- C136 H160 Ge2 N4 S2 Si6 -","- C136 H160 Ge2 N4 S2 Si6 -","1","0.5","","Sean K. Liew; S. M. Ibrahim Al-Rafia; James T. Goettel; Paul A. Lummis; Sean M. McDonald; Leah J. Miedema; Michael J. Ferguson; Robert McDonald; Eric Rivard","Expanding the Steric Coverage Offered by Bis(amidosilyl) Chelates: Isolation of Low-Coordinate N-Heterocyclic Germylene Complexes","Inorganic Chemistry","2012","51","","5471","5480","10.1021/ic300495k","","","1.54178","CuKα","","0.0956","0.0722","","","0.2076","0.2328","","","","","","1.102","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329149","11.8987","0.0007","14.0586","0.0008","14.8624","0.001","79.128","0.005","82.015","0.005","85.498","0.005","2414.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 Cu Gd N15 O11 W -","- C41 H37 Cu Gd N15 O11 W -","- C82 H74 Cu2 Gd2 N30 O22 W2 -","2","1","","Maria-Gabriela Alexandru; Diana Visinescu; Augustin M. Madalan; Francesc Lloret; Miguel Julve; Marius Andruh","[W(bipy)(CN)6]-: A Suitable Metalloligand in the Design of Heterotrimetallic Complexes. The First CuIILnIIIWV Trinuclear Complexes","Inorganic Chemistry","2012","51","","4906","4908","10.1021/ic300544m","","","0.71073","MoKα","","0.0936","0.0616","","","0.1252","0.1372","","","","","","1.082","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329150","11.884","0.002","14.068","0.003","14.851","0.003","79.119","0.016","82.145","0.016","85.588","0.015","2412","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 Cu N15 O11 Tb W -","- C41 H37 Cu N15 O11 Tb W -","- C82 H74 Cu2 N30 O22 Tb2 W2 -","2","1","","Maria-Gabriela Alexandru; Diana Visinescu; Augustin M. Madalan; Francesc Lloret; Miguel Julve; Marius Andruh","[W(bipy)(CN)6]-: A Suitable Metalloligand in the Design of Heterotrimetallic Complexes. The First CuIILnIIIWV Trinuclear Complexes","Inorganic Chemistry","2012","51","","4906","4908","10.1021/ic300544m","","","0.71073","MoKα","","0.1462","0.1129","","","0.2421","0.259","","","","","","1.184","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329151","11.8603","0.0009","14.0131","0.001","14.868","0.0014","79.165","0.007","82.352","0.007","85.57","0.006","2401.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 Cu Ho N15 O11 W -","- C41 H37 Cu Ho N15 O11 W -","- C82 H74 Cu2 Ho2 N30 O22 W2 -","2","1","","Maria-Gabriela Alexandru; Diana Visinescu; Augustin M. Madalan; Francesc Lloret; Miguel Julve; Marius Andruh","[W(bipy)(CN)6]-: A Suitable Metalloligand in the Design of Heterotrimetallic Complexes. The First CuIILnIIIWV Trinuclear Complexes","Inorganic Chemistry","2012","51","","4906","4908","10.1021/ic300544m","","","0.71073","MoKα","","0.0874","0.0576","","","0.1263","0.1387","","","","","","1.02","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329152","24.5603","0.0005","26.6097","0.0006","32.2446","0.0007","90","","93.409","0.001","90","","21035.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C246 H264 Ni32 O54 S24 -","- C246 H120 Ni32 O53.98 S24 -","- C492 H240 Ni64 O107.96 S48 -","2","0.5","","Alexandre Gehin; Sylvie Ferlay; Jack M. Harrowfield; D. Fenske; Nathalie Kyritsakas; Mir Wais Hosseini","Giant Core-Shell Nanospherical Clusters Composed of 32 Co or 32 Ni Atoms Held by 6p-tert-Butylthiacalix[4]arene Units","Inorganic Chemistry","2012","51","","5481","5486","10.1021/ic300550v","","","0.71073","MoKα","","0.2169","0.1074","","","0.2613","0.2949","","","","","","1.366","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329153","24.739","0.0007","26.8037","0.0007","32.631","0.0009","90","","94.237","0.001","90","","21578.4","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C261 H335 Co32 N3 O60 S27 -","- C261 H303 Co32 N3 O59.96 S27 -","- C522 H606 Co64 N6 O119.92 S54 -","2","0.5","","Alexandre Gehin; Sylvie Ferlay; Jack M. Harrowfield; D. Fenske; Nathalie Kyritsakas; Mir Wais Hosseini","Giant Core-Shell Nanospherical Clusters Composed of 32 Co or 32 Ni Atoms Held by 6p-tert-Butylthiacalix[4]arene Units","Inorganic Chemistry","2012","51","","5481","5486","10.1021/ic300550v","","","0.71073","MoKα","","0.1398","0.0909","","","0.2687","0.3016","","","","","","1.052","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329154","15.7063","0.0008","19.1343","0.0008","20.4113","0.0008","66.06","0.003","79.413","0.004","87.507","0.004","5507.7","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H78 Ag4 B6 F24 Fe2 N30 O12 -","- C98 H78 Ag4 B6 F24 Fe2 N30 O12 -","- C196 H156 Ag8 B12 F48 Fe4 N60 O24 -","2","1","","Benjamin Schneider; Serhiy Demeshko; Sebastian Dechert; Franc Meyer","Grid Expansion: a Rhombiclike [L4Fe2(Ag2)2] Complex Containing Ag2 Dumbbells at Two Vertices","Inorganic Chemistry","2012","51","","4912","4914","10.1021/ic300563s","","","0.71073","MoKα","","0.0956","0.074","","","0.1941","0.2064","","","","","","1.035","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329155","23.3815","0.0004","15.3567","0.0004","27.0343","0.0004","90","","110.783","0.001","90","","9075.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H70 B4 F16 Fe2 N26 -","- C96 H70 B4 F16 Fe2 N26 -","- C384 H280 B16 F64 Fe8 N104 -","4","1","","Benjamin Schneider; Serhiy Demeshko; Sebastian Dechert; Franc Meyer","Grid Expansion: a Rhombiclike [L4Fe2(Ag2)2] Complex Containing Ag2 Dumbbells at Two Vertices","Inorganic Chemistry","2012","51","","4912","4914","10.1021/ic300563s","","","0.71073","MoKα","","0.0698","0.0577","","","0.1433","0.1501","","","","","","1.03","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329156","5.986","0.003","9.725","0.005","6.194","0.003","90","","108.687","0.006","90","","341.6","0.3","100","2","100","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Cl3 Tc -","- Cl3 Tc -","- Cl12 Tc4 -","4","0.5","","Frederic Poineau; Erik V. Johnstone; Philippe F. Weck; Paul M. Forster; Eunja Kim; Kenneth R. Czerwinski; Alfred P. Sattelberger","β-Technetium Trichloride: Formation, Structure, and First-Principles Calculations","Inorganic Chemistry","2012","51","","4915","4917","10.1021/ic300612k","","","0.71073","MoKα","","0.0714","0.0703","","","0.1765","0.1774","","","","","","1.181","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329157","11.247","0.0003","5.9034","0.0002","12.0886","0.0003","90","","115.143","0.001","90","","726.58","0.04","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[{phen(NH2)2}2NiCl2]","","","- C12 H16 Cl2 N4 Ni -","- C12 H16 Cl2 N4 Ni -","- C24 H32 Cl4 N8 Ni2 -","2","0.5","","Roger D. Willett; Carlos J. Gómez-García; Brendan Twamley; Silvia Gómez-Coca; Eliseo Ruiz","Exchange Coupling Mediated by N-H...Cl Hydrogen Bonds: Experimental and Theoretical Study of the Frustrated Magnetic System in Bis(o-phenylenediamine)nickel(II) Chloride","Inorganic Chemistry","2012","51","","5487","5493","10.1021/ic3007124","","","0.71073","MoKα","","0.0204","0.0198","","","0.0513","0.0518","","","","","","1.07","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329158","18.5438","0.0017","9.5229","0.0009","19.5434","0.0017","90","","117.341","0.001","90","","3065.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl2 Cu N7 O9 -","- C29 H27 Cl2 Cu N7 O9 -","- C116 H108 Cl8 Cu4 N28 O36 -","4","1","","Rangasamy Loganathan; Sethu Ramakrishnan; Eringathodi Suresh; Anvarbatcha Riyasdeen; Mohamad Abdulkadhar Akbarsha; Mallayan Palaniandavar","Mixed Ligand Copper(II) Complexes of N,N-Bis(benzimidazol-2-ylmethyl)amine (BBA) with Diimine Co-Ligands: Efficient Chemical Nuclease and Protease Activities and Cytotoxicity","Inorganic Chemistry","2012","51","","5512","5532","10.1021/ic2017177","","","0.71073","MoKα","","0.1238","0.1037","","","0.1982","0.2076","","","","","","1.262","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329159","13.3357","0.0004","17.1139","0.0005","17.4396","0.0005","90","","107.518","0.001","90","","3795.58","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 Cl2 Cu N7 O10 -","- C34 H39 Cl2 Cu N7 O10 -","- C136 H156 Cl8 Cu4 N28 O40 -","4","1","","Rangasamy Loganathan; Sethu Ramakrishnan; Eringathodi Suresh; Anvarbatcha Riyasdeen; Mohamad Abdulkadhar Akbarsha; Mallayan Palaniandavar","Mixed Ligand Copper(II) Complexes of N,N-Bis(benzimidazol-2-ylmethyl)amine (BBA) with Diimine Co-Ligands: Efficient Chemical Nuclease and Protease Activities and Cytotoxicity","Inorganic Chemistry","2012","51","","5512","5532","10.1021/ic2017177","","","0.71073","MoKα","","0.0863","0.0556","","","0.1499","0.1723","","","","","","1.028","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329160","7.084","0.003","37.329","0.017","15.811","0.007","90","","94.648","0.007","90","","4167","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Cl F6 N2 O0 Pt Si2 -","- C39 H34 Cl F6 N2 Pt Si2 -","- C156 H136 Cl4 F24 N8 Pt4 Si8 -","4","1","","Xu Zhang; Jin-Yun Wang; Jun Ni; Li-Yi Zhang; Zhong-Ning Chen","Vapochromic and Mechanochromic Phosphorescence Materials Based on a Platinum(II) Complex with 4-Trifluoromethylphenylacetylide","Inorganic Chemistry","2012","51","","5569","5579","10.1021/ic202421d","","","0.71073","MoKα","","0.0856","0.0691","","","0.1927","0.2116","","","","","","1.07","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329161","7.1353","0.0007","38.393","0.003","15.2803","0.0017","90","","96.035","0.007","90","","4162.8","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Cl2 F6 N2 O0 Pt Si2 -","- C39 H34 Cl2 F6 N2 Pt Si2 -","- C156 H136 Cl8 F24 N8 Pt4 Si8 -","4","1","","Xu Zhang; Jin-Yun Wang; Jun Ni; Li-Yi Zhang; Zhong-Ning Chen","Vapochromic and Mechanochromic Phosphorescence Materials Based on a Platinum(II) Complex with 4-Trifluoromethylphenylacetylide","Inorganic Chemistry","2012","51","","5569","5579","10.1021/ic202421d","","","0.71073","MoKα","","0.0804","0.0474","","","0.1167","0.1701","","","","","","1.02","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329162","17.388","0.007","39.549","0.015","13.504","0.006","90","","105.179","0.008","90","","8962","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 F6 N2 O Pt Si2 -","- C42 H40 F6 N2 O Pt Si2 -","- C336 H320 F48 N16 O8 Pt8 Si16 -","8","1","","Xu Zhang; Jin-Yun Wang; Jun Ni; Li-Yi Zhang; Zhong-Ning Chen","Vapochromic and Mechanochromic Phosphorescence Materials Based on a Platinum(II) Complex with 4-Trifluoromethylphenylacetylide","Inorganic Chemistry","2012","51","","5569","5579","10.1021/ic202421d","","","0.71073","MoKα","","0.0927","0.0733","","","0.19","0.2118","","","","","","1.035","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329163","8.0437","0.0004","11.2976","0.0005","12.0851","0.0005","99.996","0.001","94.296","0.001","101.084","0.001","1054.7","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O6 -","- C22 H24 N4 O6 -","- C44 H48 N8 O12 -","2","1","","Sellamuthu Anbu; Subban Kamalraj; Babu Varghese; Johnpaul Muthumary; Muthusamy Kandaswamy","A Series of Oxyimine-Based Macrocyclic Dinuclear Zinc(II) Complexes Enhances Phosphate Ester Hydrolysis, DNA Binding, DNA Hydrolysis, and Lactate Dehydrogenase Inhibition and Induces Apoptosis","Inorganic Chemistry","2012","51","","5580","5592","10.1021/ic202451e","","","0.71073","MoKα","","0.056","0.0412","","","0.1219","0.1391","","","","","","0.99","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4329164","18.6996","0.0007","24.5936","0.0009","16.0255","0.0009","90","","123.87","0.002","90","","6119.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 Cl2 N8 O22 Zn4 -","- C44 H44 Cl2 N8 O22 Zn4 -","- C176 H176 Cl8 N32 O88 Zn16 -","4","0.5","","Sellamuthu Anbu; Subban Kamalraj; Babu Varghese; Johnpaul Muthumary; Muthusamy Kandaswamy","A Series of Oxyimine-Based Macrocyclic Dinuclear Zinc(II) Complexes Enhances Phosphate Ester Hydrolysis, DNA Binding, DNA Hydrolysis, and Lactate Dehydrogenase Inhibition and Induces Apoptosis","Inorganic Chemistry","2012","51","","5580","5592","10.1021/ic202451e","","","0.71073","MoKα","","0.098","0.0608","","","0.1735","0.2081","","","","","","1.116","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329165","26.1009","0.0014","8.0055","0.0004","16.6468","0.0008","90","","90","","90","","3478.4","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H24 Cl2 N4 O17 Zn2 -","- C23 H24 Cl2 N4 O17 Zn2 -","- C92 H96 Cl8 N16 O68 Zn8 -","4","1","","Sellamuthu Anbu; Subban Kamalraj; Babu Varghese; Johnpaul Muthumary; Muthusamy Kandaswamy","A Series of Oxyimine-Based Macrocyclic Dinuclear Zinc(II) Complexes Enhances Phosphate Ester Hydrolysis, DNA Binding, DNA Hydrolysis, and Lactate Dehydrogenase Inhibition and Induces Apoptosis","Inorganic Chemistry","2012","51","","5580","5592","10.1021/ic202451e","","","0.71073","MoKα","","0.1139","0.0739","","","0.1909","0.2143","","","","","","1.076","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329166","13.044","0.003","16.077","0.004","26.441","0.007","80.781","0.005","77.499","0.005","67.09","0.004","4969","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H99 Cu10 N8 O29 P6 -","- C67 H99 Cu10 N8 O29 P6 -","- C134 H198 Cu20 N16 O58 P12 -","2","1","","Vadapalli Chandrasekhar; Loganathan Nagarajan; Sakiat Hossain; Kandasamy Gopal; Surajit Ghosh; Sandeep Verma","Multicomponent Assembly of Anionic and Neutral Decanuclear Copper(II) Phosphonate Cages","Inorganic Chemistry","2012","51","","5605","5616","10.1021/ic202510d","","","0.71073","MoKα","","0.119","0.0713","","","0.1573","0.1786","","","","","","0.941","","","","has coordinates","276385","2022-06-29","09:07:01",""
"4329167","14.4554","0.0016","15.6368","0.0017","16.3618","0.0019","98.349","0.002","113.954","0.002","97.686","0.002","3267.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H172 Cu10 N12 O34 P10 -","- C76 H172 Cu10 N12 O34 P10 -","- C76 H172 Cu10 N12 O34 P10 -","1","0.5","","Vadapalli Chandrasekhar; Loganathan Nagarajan; Sakiat Hossain; Kandasamy Gopal; Surajit Ghosh; Sandeep Verma","Multicomponent Assembly of Anionic and Neutral Decanuclear Copper(II) Phosphonate Cages","Inorganic Chemistry","2012","51","","5605","5616","10.1021/ic202510d","","","0.71073","MoKα","","0.1308","0.0692","","","0.1525","0.1777","","","","","","0.911","","","","has coordinates","276385","2022-06-29","09:07:02",""
"4329168","11.4076","0.001","16.2503","0.0014","16.3249","0.0011","116.225","0.003","104.829","0.003","99.54","0.002","2485","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H98 Cu10 N16 O22 P6 -","- C56 H98 Cu10 N16 O22 P6 -","- C56 H98 Cu10 N16 O22 P6 -","1","0.5","","Vadapalli Chandrasekhar; Loganathan Nagarajan; Sakiat Hossain; Kandasamy Gopal; Surajit Ghosh; Sandeep Verma","Multicomponent Assembly of Anionic and Neutral Decanuclear Copper(II) Phosphonate Cages","Inorganic Chemistry","2012","51","","5605","5616","10.1021/ic202510d","","","0.71073","MoKα","","0.0799","0.0626","","","0.1358","0.1451","","","","","","1.049","","","","has coordinates","276385","2022-06-29","09:07:02",""
"4329169","15.331","0.004","15.885","0.005","18.275","0.005","65.916","0.005","69.997","0.005","67.706","0.005","3665.9","1.8","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H110 Cu10 N8 O34 P10 -","- C56 H110 Cu10 N8 O34 P10 -","- C56 H110 Cu10 N8 O34 P10 -","1","0.5","","Vadapalli Chandrasekhar; Loganathan Nagarajan; Sakiat Hossain; Kandasamy Gopal; Surajit Ghosh; Sandeep Verma","Multicomponent Assembly of Anionic and Neutral Decanuclear Copper(II) Phosphonate Cages","Inorganic Chemistry","2012","51","","5605","5616","10.1021/ic202510d","","","0.71073","MoKα","","0.132","0.0678","","","0.1857","0.2088","","","","","","0.824","","","","has coordinates,has disorder","276385","2022-06-29","09:07:02",""
"4329170","12.0048","0.0018","25.105","0.004","15.954","0.002","90","","106.272","0.002","90","","4615.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H86 Cl4 Cu10 N12 O22 P6 -","- C58 H86 Cl4 Cu10 N12 O22 P6 -","- C116 H172 Cl8 Cu20 N24 O44 P12 -","2","0.5","","Vadapalli Chandrasekhar; Loganathan Nagarajan; Sakiat Hossain; Kandasamy Gopal; Surajit Ghosh; Sandeep Verma","Multicomponent Assembly of Anionic and Neutral Decanuclear Copper(II) Phosphonate Cages","Inorganic Chemistry","2012","51","","5605","5616","10.1021/ic202510d","","","0.71073","MoKα","","0.0946","0.0612","","","0.1486","0.1615","","","","","","1.023","","","","has coordinates","276385","2022-06-29","09:07:02",""
"4329171","21.5813","0.0018","24.4312","0.0018","10.8552","0.0009","90","","115.62","0.002","90","","5160.8","0.7","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H88 Cu10 F7.97 N12 O26 P8 -","- C56 H88 Cu10 F7.96 N12 O26 P8 -","- C112 H176 Cu20 F15.92 N24 O52 P16 -","2","0.25","","Vadapalli Chandrasekhar; Loganathan Nagarajan; Sakiat Hossain; Kandasamy Gopal; Surajit Ghosh; Sandeep Verma","Multicomponent Assembly of Anionic and Neutral Decanuclear Copper(II) Phosphonate Cages","Inorganic Chemistry","2012","51","","5605","5616","10.1021/ic202510d","","","0.71073","MoKα","","0.0915","0.0632","","","0.1662","0.2106","","","","","","1.185","","","","has coordinates,has disorder","276385","2022-06-29","09:07:02",""
"4329172","19.018","0.005","29.527","0.005","23.963","0.005","90","0.005","90","0.005","90","0.005","13456","5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C84 H44 Cd4 Co2 N12 O65 -","- C84 H44 Cd4 Co2 N12 O65 -","- C336 H176 Cd16 Co8 N48 O260 -","4","0.5","","Girijesh Kumar; Rajeev Gupta","Cobalt Complexes Appended withp- andm-Carboxylates: Two Unique {Co3±Cd2+} Networks and Their Regioselective and Size-Selective Heterogeneous Catalysis","Inorganic Chemistry","2012","51","","5497","5499","10.1021/ic202594s","","","0.71073","MoKα","","0.0918","0.0791","","","0.2109","0.227","","","","","","1.064","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329173","13.154","0.005","39.417","0.005","19.29","0.005","90","0.005","91.837","0.005","90","0.005","9997","5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H76 Cd5 Co2 N12 O49 -","- C84 H76 Cd5 Co2 N12 O49 -","- C336 H304 Cd20 Co8 N48 O196 -","4","1","","Girijesh Kumar; Rajeev Gupta","Cobalt Complexes Appended withp- andm-Carboxylates: Two Unique {Co3±Cd2+} Networks and Their Regioselective and Size-Selective Heterogeneous Catalysis","Inorganic Chemistry","2012","51","","5497","5499","10.1021/ic202594s","","","0.71073","MoKα","","0.0875","0.0659","","","0.1481","0.1621","","","","","","1.063","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329174","19.4185","0.0003","18.8442","0.0003","17.3971","0.0002","90","","101.445","0.001","90","","6239.47","0.16","120","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C75 H51 Cl3 Fe2 Lu N12 O -","- C75 H45 Cl3 Fe2 Lu N12 O -","- C300 H180 Cl12 Fe8 Lu4 N48 O4 -","4","1","","Peihua Zhu; Xiuwen Zhang; Hailong Wang; Yuexing Zhang; Yongzhong Bian; Jianzhuang Jiang","Ferrocene-Decorated (Phthalocyaninato)(Porphyrinato) Double- and Triple-Decker Rare Earth Complexes: Synthesis, Structure, and Electrochemical Properties","Inorganic Chemistry","2012","51","","5651","5659","10.1021/ic202613r","","","1.54184","CuKα","","0.0711","0.0585","","","0.1664","0.1781","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329175","14.0455","0.0009","14.6373","0.0008","16.2622","0.0009","104.895","0.005","93.267","0.005","116.198","0.006","2842.5","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H45 Cl3 Eu Fe2 N12 O0 -","- C73 H45 Cl3 Eu Fe2 N12 -","- C146 H90 Cl6 Eu2 Fe4 N24 -","2","1","","Peihua Zhu; Xiuwen Zhang; Hailong Wang; Yuexing Zhang; Yongzhong Bian; Jianzhuang Jiang","Ferrocene-Decorated (Phthalocyaninato)(Porphyrinato) Double- and Triple-Decker Rare Earth Complexes: Synthesis, Structure, and Electrochemical Properties","Inorganic Chemistry","2012","51","","5651","5659","10.1021/ic202613r","","","1.54184","CuKα","","0.0643","0.0514","","","0.1241","0.134","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329176","11.195","0.003","12.247","0.003","22.433","0.006","102.834","0.005","90.439","0.005","97.102","0.005","2973.9","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","W(CPh)(dppe)2Cl+","","","- C61 H54.5 Cl2.5 F3 O3 P4 S W -","- C60.77 H54.54 Cl2.54 F3 O3 P4 S W -","- C121.54 H109.08 Cl5.08 F6 O6 P8 S2 W2 -","2","1","","Benjamin M. Lovaasen; Jenny V. Lockard; Brian W. Cohen; Shujiang Yang; Xiaoyi Zhang; Cheslan K. Simpson; Lin X. Chen; Michael D. Hopkins","Ground-State and Excited-State Structures of Tungsten-Benzylidyne Complexes","Inorganic Chemistry","2012","51","","5660","5670","10.1021/ic202622s","","","0.71073","MoKα","","0.0657","0.052","","","0.0927","0.0971","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329177","13.266","0.003","16.373","0.003","18.47","0.004","97.281","0.003","108.399","0.003","96.291","0.003","3728","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","W(CPh)(dppe)2(NCMe)+","","","- C91 H89 B N2 O P4 W -","- C91 H89 B N2 O P4 W -","- C182 H178 B2 N4 O2 P8 W2 -","2","1","","Benjamin M. Lovaasen; Jenny V. Lockard; Brian W. Cohen; Shujiang Yang; Xiaoyi Zhang; Cheslan K. Simpson; Lin X. Chen; Michael D. Hopkins","Ground-State and Excited-State Structures of Tungsten-Benzylidyne Complexes","Inorganic Chemistry","2012","51","","5660","5670","10.1021/ic202622s","","","0.71073","MoKα","","0.0271","0.0256","","","0.0628","0.0635","","","","","","1.049","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329178","11.1414","0.0019","26.8","0.005","19.12","0.003","90","","117.687","0.008","90","","5055.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","W(CPh)(dppe)2Cl","","","- C60 H55 Cl3 P4 W -","- C60 H55 Cl3 P4 W -","- C240 H220 Cl12 P16 W4 -","4","1","","Benjamin M. Lovaasen; Jenny V. Lockard; Brian W. Cohen; Shujiang Yang; Xiaoyi Zhang; Cheslan K. Simpson; Lin X. Chen; Michael D. Hopkins","Ground-State and Excited-State Structures of Tungsten-Benzylidyne Complexes","Inorganic Chemistry","2012","51","","5660","5670","10.1021/ic202622s","","","0.71073","MoKα","","0.0434","0.0408","","","0.1074","0.109","","","","","","1.089","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329179","14.071","0.005","15.265","0.005","15.351","0.006","88.337","0.013","85.779","0.014","85.205","0.011","3276","2","260","2","260","2","","","","","","","","5","P -1","-P 1","2","BMOF-1-bpdc-12.6EtOAc","","","- C38 H24 N2 O8 Zn2 -","- C38 H24 N2 O8 Zn2 -","- C76 H48 N4 O16 Zn4 -","2","1","","Phuong V. Dau; Min Kim; Sergio J. Garibay; Frédéric H. L. Münch; Curtis E. Moore; Seth M. Cohen","Single-Atom Ligand Changes Affect Breathing in an Extended Metal-Organic Framework","Inorganic Chemistry","2012","51","","5671","5676","10.1021/ic202683s","","","0.71073","MoKα","","0.0997","0.0565","","","0.161","0.1801","","","","","","1.118","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329180","14.02","0.002","15.082","0.002","15.121","0.002","76.892","0.002","86.55","0.002","83.446","0.002","3091.7","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","BMOF-1-dcppy-10.2EtOAc","","","- C34 H20 N6 O8 Zn2 -","- C33.91 H20 N4 O8 Zn2 -","- C67.82 H40 N8 O16 Zn4 -","2","1","","Phuong V. Dau; Min Kim; Sergio J. Garibay; Frédéric H. L. Münch; Curtis E. Moore; Seth M. Cohen","Single-Atom Ligand Changes Affect Breathing in an Extended Metal-Organic Framework","Inorganic Chemistry","2012","51","","5671","5676","10.1021/ic202683s","","","0.71073","MoKα","","0.122","0.1007","","","0.2654","0.2853","","","","","","1.012","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329181","15.21","0.003","15.21","0.003","9.6282","0.0019","90","","90","","90","","2227.4","0.8","200","2","200","2","","","","","","","","5","P 4/m m m","-P 4 2","123","DMOF-1-bpdc-6EtOAc","","","- C36 H16 N2 O8 Zn2 -","- C35.92 H16 N2 O8 Zn2 -","- C35.92 H16 N2 O8 Zn2 -","1","0.0625","","Phuong V. Dau; Min Kim; Sergio J. Garibay; Frédéric H. L. Münch; Curtis E. Moore; Seth M. Cohen","Single-Atom Ligand Changes Affect Breathing in an Extended Metal-Organic Framework","Inorganic Chemistry","2012","51","","5671","5676","10.1021/ic202683s","","","0.71073","MoKα","","0.0698","0.0655","","","0.193","0.1989","","","","","","0.912","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329182","15.137","0.0018","15.137","0.0018","9.6187","0.0012","90","","90","","90","","2203.9","0.5","200","2","200","2","","","","","","","","5","P 4/m m m","-P 4 2","123","DMOF-1-dcppy-6EtOAc","","","- C28 H8 N6 O8 Zn2 -","- C28 H8 N6 O8 Zn2 -","- C28 H8 N6 O8 Zn2 -","1","0.0625","","Phuong V. Dau; Min Kim; Sergio J. Garibay; Frédéric H. L. Münch; Curtis E. Moore; Seth M. Cohen","Single-Atom Ligand Changes Affect Breathing in an Extended Metal-Organic Framework","Inorganic Chemistry","2012","51","","5671","5676","10.1021/ic202683s","","","0.71073","MoKα","","0.2279","0.2131","","","0.5297","0.575","","","","","","2.919","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329183","10.9425","0.0013","21.354","0.002","18.84","0.002","90","","105.218","0.002","90","","4247.9","0.8","93","2","93","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C54 H42 N12 O12 Zn3 -","- C54 H42 N12 O12 Zn3 -","- C108 H84 N24 O24 Zn6 -","2","0.5","","Xiao-Min Liu; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Low-Dimensional Porous Coordination Polymers Based on 1,2-Bis(4-pyridyl)hydrazine: From Structure Diversity to Ultrahigh CO2/CH4 Selectivity","Inorganic Chemistry","2012","51","","5686","5692","10.1021/ic300097y","","","0.71073","MoKα","","0.0779","0.048","","","0.1212","0.1387","","","","","","1.003","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329184","10.0803","0.0011","15.819","0.0018","16.3208","0.0018","90","","101.034","0.003","90","","2554.4","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 Ni O4 -","- C18 H14 N4 Ni O4 -","- C72 H56 N16 Ni4 O16 -","4","1","","Xiao-Min Liu; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Low-Dimensional Porous Coordination Polymers Based on 1,2-Bis(4-pyridyl)hydrazine: From Structure Diversity to Ultrahigh CO2/CH4 Selectivity","Inorganic Chemistry","2012","51","","5686","5692","10.1021/ic300097y","","","0.71073","MoKα","","0.0982","0.0593","","","0.1007","0.109","","","","","","1.002","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329185","10.1848","0.001","11.1036","0.0011","19.182","0.0018","90","","94.397","0.002","90","","2162.9","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N5 O6 Zn -","- C18 H13 N5 O6 Zn -","- C72 H52 N20 O24 Zn4 -","4","1","","Xiao-Min Liu; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Low-Dimensional Porous Coordination Polymers Based on 1,2-Bis(4-pyridyl)hydrazine: From Structure Diversity to Ultrahigh CO2/CH4 Selectivity","Inorganic Chemistry","2012","51","","5686","5692","10.1021/ic300097y","","","0.71073","MoKα","","0.0559","0.0405","","","0.1013","0.1077","","","","","","1.006","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329186","14.1464","0.0016","10.7476","0.0012","18.141","0.002","90","","97.938","0.002","90","","2731.7","0.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br Co N4 O2 -","- C14 H12 Br Co N4 O2 -","- C56 H48 Br4 Co4 N16 O8 -","4","1","","Xiao-Min Liu; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Low-Dimensional Porous Coordination Polymers Based on 1,2-Bis(4-pyridyl)hydrazine: From Structure Diversity to Ultrahigh CO2/CH4 Selectivity","Inorganic Chemistry","2012","51","","5686","5692","10.1021/ic300097y","","","0.71073","MoKα","","0.0664","0.0532","","","0.152","0.1601","","","","","","1.002","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329187","28.255","0.005","24.796","0.005","18.738","0.005","90","0.005","131.05","0.005","90","0.005","9900","4","153","2","153","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 B6 Cl4 Dy3 Fe N40 O6 S6 -","- C70 H60 B6 Cl4 Dy3 Fe N40 O6 S6 -","- C280 H240 B24 Cl16 Dy12 Fe4 N160 O24 S24 -","4","0.5","","Gong-Feng Xu; Patrick Gamez; Jinkui Tang; Rodolphe Clérac; Yun-Nan Guo; Yang Guo","MIIIDyIII3 (M = FeIII, CoIII) Complexes: Three-Blade Propellers Exhibiting Slow Relaxation of Magnetization","Inorganic Chemistry","2012","51","","5693","5698","10.1021/ic300126q","","","0.71069","MoKα","","0.0487","0.0398","","","0.1073","0.1119","","","","","","1.094","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329188","28.322","0.0013","24.7043","0.0012","18.6907","0.0009","90","","131.131","0.001","90","","9850","0.8","166","2","166","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 B6 Cl4 Co Dy3 N40 O6 S6 -","- C70 H60 B6 Cl4 Co Dy3 N40 O6 S6 -","- C280 H240 B24 Cl16 Co4 Dy12 N160 O24 S24 -","4","0.5","","Gong-Feng Xu; Patrick Gamez; Jinkui Tang; Rodolphe Clérac; Yun-Nan Guo; Yang Guo","MIIIDyIII3 (M = FeIII, CoIII) Complexes: Three-Blade Propellers Exhibiting Slow Relaxation of Magnetization","Inorganic Chemistry","2012","51","","5693","5698","10.1021/ic300126q","","","0.71073","MoKα","","0.0641","0.0434","","","0.1102","0.1195","","","","","","1.029","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329189","17.962","0.005","5.784","0.005","9.076","0.005","90","0.005","97.512","0.005","90","0.005","934.8","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 S -","- C12 H11 S -","- C48 H44 S4 -","4","1","","Arnab Banerjee; Animesh Sahana; Subarna Guha; Sisir Lohar; Ipsit Hauli; Subhra Kanti Mukhopadhyay; Jesús Sanmartín Matalobos; Debasis Das","Nickel(II)-Induced Excimer Formation of a Naphthalene-Based Fluorescent Probe for Living Cell Imaging","Inorganic Chemistry","2012","51","","5699","5704","10.1021/ic300130y","","","0.71069","MoKα","","0.0698","0.0492","","","0.1089","0.1144","","","","","","1.22","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329190","9.6574","0.0005","19.7997","0.001","15.2266","0.0008","90","","98.854","0.001","90","","2876.8","0.3","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl6 N4 P2 Pu -","- C56 H52 Cl6 N4 P2 Pu -","- C112 H104 Cl12 N8 P4 Pu2 -","2","0.5","","Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh","Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)","Inorganic Chemistry","2012","51","","5728","5736","10.1021/ic300179d","","","0.71073","MoKα","","0.0475","0.0263","","","0.0542","0.0614","","","","","","0.974","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329191","9.9307","0.0016","10.5367","0.0013","11.0318","0.0016","74.432","0.006","72.692","0.001","79.405","0.003","1054.8","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H43 F6 N P2 Ti -","- C50 H43 F6 N P2 Ti -","- C50 H43 F6 N P2 Ti -","1","0.5","","Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh","Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)","Inorganic Chemistry","2012","51","","5728","5736","10.1021/ic300179d","","","0.71073","MoKα","","0.0514","0.0412","","","0.0991","0.1058","","","","","","1.038","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329192","9.4866","0.0016","19.326","0.003","14.839","0.003","90","","98.234","0.002","90","","2692.5","0.8","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl6 N4 P2 Ti -","- C56 H52 Cl6 N4 P2 Ti -","- C112 H104 Cl12 N8 P4 Ti2 -","2","0.5","","Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh","Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)","Inorganic Chemistry","2012","51","","5728","5736","10.1021/ic300179d","","","0.71073","MoKα","","0.0549","0.036","","","0.0744","0.0823","","","","","","1.036","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329193","9.5282","0.0012","19.366","0.002","14.9522","0.0018","90","","98.159","0.002","90","","2731.1","0.6","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl6 N4 P2 Zr -","- C56 H52 Cl6 N4 P2 Zr -","- C112 H104 Cl12 N8 P4 Zr2 -","2","0.5","","Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh","Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)","Inorganic Chemistry","2012","51","","5728","5736","10.1021/ic300179d","","","0.71073","MoKα","","0.0919","0.0479","","","0.0931","0.1085","","","","","","1.002","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329194","9.5378","0.0013","19.356","0.003","14.942","0.002","90","","98.112","0.002","90","","2730.9","0.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl6 Hf N4 P2 -","- C56 H52 Cl6 Hf N4 P2 -","- C112 H104 Cl12 Hf2 N8 P4 -","2","0.5","","Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh","Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)","Inorganic Chemistry","2012","51","","5728","5736","10.1021/ic300179d","","","0.71073","MoKα","","0.0509","0.0332","","","0.0735","0.0804","","","","","","1.003","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329195","9.6163","0.0008","19.4637","0.0016","15.1524","0.0012","90","","98.087","0.001","90","","2807.9","0.4","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl6 N4 P2 Th -","- C56 H52 Cl6 N4 P2 Th -","- C112 H104 Cl12 N8 P4 Th2 -","2","0.5","","Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh","Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)","Inorganic Chemistry","2012","51","","5728","5736","10.1021/ic300179d","","","0.71073","MoKα","","0.0466","0.0287","","","0.0417","0.0443","","","","","","1.24","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329196","9.5987","0.0011","19.413","0.002","15.0841","0.0017","90","","98.085","0.001","90","","2782.8","0.5","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl6 N4 P2 U -","- C56 H52 Cl6 N4 P2 U -","- C112 H104 Cl12 N8 P4 U2 -","2","0.5","","Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh","Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)","Inorganic Chemistry","2012","51","","5728","5736","10.1021/ic300179d","","","0.71073","MoKα","","0.0275","0.0202","","","0.0526","0.0564","","","","","","0.933","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329197","10.178","0.006","10.316","0.006","12.108","0.007","93.067","0.007","99.243","0.007","116.144","0.006","1115.3","1.1","141","2","141","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Cl6 Np P -","- C48 H40 Cl6 Np P2 -","- C48 H40 Cl6 Np P2 -","1","0.5","","Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh","Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)","Inorganic Chemistry","2012","51","","5728","5736","10.1021/ic300179d","","","0.71073","MoKα","","0.0299","0.0288","","","0.0911","0.092","","","","","","1.096","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329198","23.261","0.005","12.169","0.002","31.791","0.006","90","","107.36","0.03","90","","8589","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 N11 Ni Re S6 -","- C36 H24 N11 Ni Re S6 -","- C288 H192 N88 Ni8 Re8 S48 -","8","1","","Ricardo González; Alvaro Acosta; Raúl Chiozzone; Carlos Kremer; Donatella Armentano; Giovanni De Munno; Miguel Julve; Francesc Lloret; Juan Faus","New Family of Thiocyanate-Bridged Re(IV)-SCN-M(II) (M = Ni, Co, Fe, and Mn) Heterobimetallic Compounds: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5737","5747","10.1021/ic300200k","","","0.71073","","","0.0895","0.0531","","","0.1213","0.134","","","","","","0.942","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329199","23.105","0.005","12.151","0.002","32.372","0.007","90","","106.21","0.03","90","","8727","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Co N11 Re S6 -","- C36 H25 Co N11 Re S6 -","- C288 H200 Co8 N88 Re8 S48 -","8","1","","Ricardo González; Alvaro Acosta; Raúl Chiozzone; Carlos Kremer; Donatella Armentano; Giovanni De Munno; Miguel Julve; Francesc Lloret; Juan Faus","New Family of Thiocyanate-Bridged Re(IV)-SCN-M(II) (M = Ni, Co, Fe, and Mn) Heterobimetallic Compounds: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5737","5747","10.1021/ic300200k","","","0.71073","","","0.1785","0.1136","","","0.2558","0.2871","","","","","","1.397","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329200","23.28","0.003","12.0913","0.0014","32.407","0.003","90","","105.829","0.006","90","","8776.2","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Fe N11 Re S6 -","- C34 H24 Fe N10 Re S6 -","- C272 H192 Fe8 N80 Re8 S48 -","8","1","","Ricardo González; Alvaro Acosta; Raúl Chiozzone; Carlos Kremer; Donatella Armentano; Giovanni De Munno; Miguel Julve; Francesc Lloret; Juan Faus","New Family of Thiocyanate-Bridged Re(IV)-SCN-M(II) (M = Ni, Co, Fe, and Mn) Heterobimetallic Compounds: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5737","5747","10.1021/ic300200k","","","0.71073","MoKα","","0.0952","0.0771","","","0.2116","0.238","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329201","23.14","0.004","12.069","0.003","32.482","0.007","90","","106.206","0.015","90","","8711","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Mn N11 Re S6 -","- C36 H24 Mn N11 Re S6 -","- C288 H192 Mn8 N88 Re8 S48 -","8","1","","Ricardo González; Alvaro Acosta; Raúl Chiozzone; Carlos Kremer; Donatella Armentano; Giovanni De Munno; Miguel Julve; Francesc Lloret; Juan Faus","New Family of Thiocyanate-Bridged Re(IV)-SCN-M(II) (M = Ni, Co, Fe, and Mn) Heterobimetallic Compounds: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5737","5747","10.1021/ic300200k","","","0.71073","","","0.172","0.0611","","","0.1199","0.156","","","","","","0.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329202","17.7598","0.001","13.1884","0.0007","14.8484","0.0008","90","","90","","90","","3477.8","0.3","130","2","130","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C74 H104 Hf O4 S4 -","- C74 H104 Hf O4 S4 -","- C148 H208 Hf2 O8 S8 -","2","0.25","","Andreas Sauer; Jean-Charles Buffet; Thomas P. Spaniol; Haruki Nagae; Kazushi Mashima; Jun Okuda","Synthesis, Characterization, and Lactide Polymerization Activity of Group 4 Metal Complexes Containing Two Bis(phenolate) Ligands","Inorganic Chemistry","2012","51","","5764","5770","10.1021/ic300271h","","","0.71073","MoKα","","0.0519","0.0464","","","0.112","0.114","","","","","","1.242","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329203","13.253","0.003","17.565","0.003","29.055","0.006","90","","90","","90","","6764","2","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H100 O4 S4 Zr -","- C72 H100 O4 S4 Zr -","- C288 H400 O16 S16 Zr4 -","4","0.5","","Andreas Sauer; Jean-Charles Buffet; Thomas P. Spaniol; Haruki Nagae; Kazushi Mashima; Jun Okuda","Synthesis, Characterization, and Lactide Polymerization Activity of Group 4 Metal Complexes Containing Two Bis(phenolate) Ligands","Inorganic Chemistry","2012","51","","5764","5770","10.1021/ic300271h","","","0.71073","MoKα","","0.0882","0.0624","","","0.1694","0.1771","","","","","","1.038","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329204","15.295","0.002","12.3927","0.0019","17.217","0.003","90","","99.171","0.004","90","","3221.7","0.9","130","2","130","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H76 O4 S4 Zr -","- C56 H76 O4 S4 Zr -","- C112 H152 O8 S8 Zr2 -","2","0.5","","Andreas Sauer; Jean-Charles Buffet; Thomas P. Spaniol; Haruki Nagae; Kazushi Mashima; Jun Okuda","Synthesis, Characterization, and Lactide Polymerization Activity of Group 4 Metal Complexes Containing Two Bis(phenolate) Ligands","Inorganic Chemistry","2012","51","","5764","5770","10.1021/ic300271h","","","0.71073","MoKα","","0.086","0.0664","","","0.1464","0.1553","","","","","","1.09","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329205","20.7803","0.001","14.9322","0.0007","27.1671","0.0013","90","","106.463","0.001","90","","8084.2","0.7","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H118 O4 S4 Zr -","- C86 H118 O4 S4 Zr -","- C344 H472 O16 S16 Zr4 -","4","1","","Andreas Sauer; Jean-Charles Buffet; Thomas P. Spaniol; Haruki Nagae; Kazushi Mashima; Jun Okuda","Synthesis, Characterization, and Lactide Polymerization Activity of Group 4 Metal Complexes Containing Two Bis(phenolate) Ligands","Inorganic Chemistry","2012","51","","5764","5770","10.1021/ic300271h","","","0.71073","MoKα","","0.0618","0.0431","","","0.0942","0.1048","","","","","","1.062","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329206","58.41","0.005","12.5706","0.001","28.737","0.002","90","","119.135","0.0011","90","","18430","3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C223 H240 O8 S8 Zr2 -","- C223 H240 O8 S8 Zr2 -","- C892 H960 O32 S32 Zr8 -","4","0.5","","Andreas Sauer; Jean-Charles Buffet; Thomas P. Spaniol; Haruki Nagae; Kazushi Mashima; Jun Okuda","Synthesis, Characterization, and Lactide Polymerization Activity of Group 4 Metal Complexes Containing Two Bis(phenolate) Ligands","Inorganic Chemistry","2012","51","","5764","5770","10.1021/ic300271h","","","0.71073","MoKα","","0.0732","0.0533","","","0.1376","0.1534","","","","","","0.994","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329207","8.379","0.005","20.82","0.013","6.436","0.004","90","","114.962","0.006","90","","1017.9","1.1","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 Au Cl3 N2 -","- C7 H6 Au Cl3 N2 -","- C28 H24 Au4 Cl12 N8 -","4","1","","Atiya T. Overton; Ahmed A. Mohamed","Gold(III) Diazonium Complexes for Electrochemical Reductive Grafting","Inorganic Chemistry","2012","51","","5500","5502","10.1021/ic300307z","","","0.71073","MoKα","","0.0242","0.0213","","","0.0489","0.081","","","","","","1.091","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329208","11.856","0.003","7.784","0.002","13.171","0.004","90","","112.033","0.003","90","","1126.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Au Cl4 N2 -","- C7 H7 Au Cl4 N2 -","- C28 H28 Au4 Cl16 N8 -","4","1","","Atiya T. Overton; Ahmed A. Mohamed","Gold(III) Diazonium Complexes for Electrochemical Reductive Grafting","Inorganic Chemistry","2012","51","","5500","5502","10.1021/ic300307z","","","0.71073","MoKα","","0.0253","0.0194","","","0.042","0.07","","","","","","1.31","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329209","13.551","0.005","11.393","0.004","15.612","0.006","90","","99.681","0.004","90","","2376","1.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Au Cl4 N3 -","- C7 H4 Au Cl4 N3 -","- C56 H32 Au8 Cl32 N24 -","8","2","","Atiya T. Overton; Ahmed A. Mohamed","Gold(III) Diazonium Complexes for Electrochemical Reductive Grafting","Inorganic Chemistry","2012","51","","5500","5502","10.1021/ic300307z","","","0.71073","MoKα","","0.0329","0.024","","","0.0494","0.0537","","","","","","1.061","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329210","12.482","0.003","14.137","0.003","4.244","0.001","90","","90","","90","","748.9","0.3","150","2","150","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- As6 Sn2 Sr5 -","- As6 Sn2 Sr5 -","- As12 Sn4 Sr10 -","2","0.25","","Jian Wang; Sheng-Qing Xia; Xu-Tang Tao","A5Sn2As6 (A = Sr, Eu). Synthesis, Crystal and Electronic Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","5771","5778","10.1021/ic300308w","","","0.71073","MoKα","","0.0598","0.0341","","","0.0628","0.071","","","","","","1.035","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329211","12.281","0.005","13.941","0.005","4.2029","0.0016","90","","90","","90","","719.6","0.5","150","2","150","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- As6 Eu5 Sn2 -","- As6 Eu5 Sn2 -","- As12 Eu10 Sn4 -","2","0.25","","Jian Wang; Sheng-Qing Xia; Xu-Tang Tao","A5Sn2As6 (A = Sr, Eu). Synthesis, Crystal and Electronic Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","5771","5778","10.1021/ic300308w","","","0.71073","MoKα","","0.0432","0.0324","","","0.0766","0.0818","","","","","","1.021","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329212","9.6494","0.0003","10.6456","0.0003","19.0757","0.0005","84.389","0.002","85.663","0.002","71.484","0.002","1847.12","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 N2 P2 Si2 Sn -","- C32 H58 N2 P2 Si2 Sn -","- C64 H116 N4 P4 Si4 Sn2 -","2","1","","Jens Henning; Hartmut Schubert; Klaus Eichele; Florian Winter; Rainer Pöttgen; Hermann August Mayer; Lars Wesemann","Synthesis and Characterization of N-[2-P(i-Pr)2-4-methylphenyl]2- (PNP) Pincer Tin(IV) and Tin(II) Complexes","Inorganic Chemistry","2012","51","","5787","5794","10.1021/ic300324s","","","0.71073","mokα","","0.045","0.0361","","","0.0779","0.0811","","","","","","1.03","","","","has coordinates,has disorder","134499","2020-10-21","18:00:00",""
"4329213","11.4463","0.0003","9.6919","0.0002","15.9712","0.0005","90","","125.864","0.002","90","","1435.87","0.08","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H40 Cl3 N P2 Sn -","- C26 H40 Cl3 N P2 Sn -","- C52 H80 Cl6 N2 P4 Sn2 -","2","0.5","","Jens Henning; Hartmut Schubert; Klaus Eichele; Florian Winter; Rainer Pöttgen; Hermann August Mayer; Lars Wesemann","Synthesis and Characterization of N-[2-P(i-Pr)2-4-methylphenyl]2- (PNP) Pincer Tin(IV) and Tin(II) Complexes","Inorganic Chemistry","2012","51","","5787","5794","10.1021/ic300324s","","","0.71073","MoKα","","0.0321","0.0309","","","0.0633","0.0638","","","","","","1.224","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329214","12.089","0.002","28.812","0.006","14.424","0.004","90","","97.526","0.019","90","","4980.7","1.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 N2 O8 Ru2 -","- C48 H58 N2 O8 Ru2 -","- C192 H232 N8 O32 Ru8 -","4","0.5","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.0778","0.0588","","","0.1185","0.1257","","","","","","1.104","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329215","24.8929","0.001","27.2133","0.0008","28.4169","0.0012","90","","90","","90","","19250.1","1.3","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C127.5 H139.5 Cl46.5 N4 O16 Ru4 -","- C127.5 H139.5 Cl46.5 N4 O16 Ru4 -","- C510 H558 Cl186 N16 O64 Ru16 -","4","0.5","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.2194","0.0877","","","0.2097","0.2447","","","","","","0.802","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329216","15.589","0.003","17.849","0.004","41.003","0.008","88.71","0.03","89.42","0.03","88.87","0.03","11403","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H152 Cl24 N12 O42 Ru6 -","- C148 H148 Cl12 N12 O42 Ru6 -","- C296 H296 Cl24 N24 O84 Ru12 -","2","1","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.1588","0.1186","","","0.3136","0.3437","","","","","","1.073","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329217","31.172","0.006","41.914","0.008","35.082","0.007","90","","90.59","0.03","90","","45834","15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C181 H169 Cl39 N12 O42 Ru6 -","- C177 H165 Cl27 N12 O42 Ru6 -","- C1416 H1320 Cl216 N96 O336 Ru48 -","8","2","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.2154","0.1156","","","0.301","0.3544","","","","","","0.934","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329218","26.992","0.008","21.207","0.005","22.203","0.006","90","","90","","90","","12709","6","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C168 H180 N12 O24 Ru6 -","- C168 H180 N12 O24 Ru6 -","- C336 H360 N24 O48 Ru12 -","2","0.5","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.0977","0.0678","","","0.1765","0.1975","","","","","","1.074","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329219","19.045","0.003","19.277","0.003","29.182","0.005","72.488","0.012","80.26","0.014","60.829","0.01","8918","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C155 H162 Cl16 N14 O42 Ru6 -","- C154.5 H161.5 Cl14.5 N14 O42 Ru6 -","- C309 H323 Cl29 N28 O84 Ru12 -","2","1","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.1313","0.0833","","","0.1845","0.2088","","","","","","1.053","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329220","21.122","0.002","21.122","0.002","24.4","0.006","90","","90","","120","","9427","3","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C169 H181 Cl3 N12 O24 Ru6 -","- C169 H181 Cl3 N12 O24 Ru6 -","- C338 H362 Cl6 N24 O48 Ru12 -","2","0.333333","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.0646","0.0497","","","0.1199","0.1291","","","","","","1.026","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329221","11.69","0.002","14.252","0.002","19.351","0.003","90","","107.082","0.002","90","","3081.8","0.8","90","","90","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H72 Ag B F4 O2 P4 -","- C72 H72 Ag B F4 O2 P4 -","- C144 H144 Ag2 B2 F8 O4 P8 -","2","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Photoluminescence Properties, Molecular Structures, and Theoretical Study of Heteroleptic Silver(I) Complexes Containing Diphosphine Ligands","Inorganic Chemistry","2012","51","","5805","5813","10.1021/ic300333c","","","0.71073","MoKα","","0.1004","0.0914","","","0.2357","0.242","","","","","","1.095","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329222","12.1201","0.0019","15.932","0.002","16.068","0.002","90","","103.161","0.002","90","","3021.2","0.7","90","","90","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C71 H70 Ag B F4 O P4 -","- C71 H70 Ag B F4 O P4 -","- C142 H140 Ag2 B2 F8 O2 P8 -","2","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Photoluminescence Properties, Molecular Structures, and Theoretical Study of Heteroleptic Silver(I) Complexes Containing Diphosphine Ligands","Inorganic Chemistry","2012","51","","5805","5813","10.1021/ic300333c","","","0.71073","MoKα","","0.0622","0.0579","","","0.1115","0.1147","","","","","","1.117","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329223","12.0741","0.0011","7.0221","0.0005","12.0802","0.0009","90","","110.06","0.005","90","","962.09","0.14","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- In2 Li2 S6 Si -","- In2 Li2 S6 Si -","- In8 Li8 S24 Si4 -","4","1","","Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu","Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials","Inorganic Chemistry","2012","51","","5839","5843","10.1021/ic300373z","","","0.71073","MoKα","","0.01","0.0098","","","0.023","0.0231","","","","","","0.99","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329224","12.165","0.002","7.084","0.0014","12.131","0.002","90","","110.26","0.03","90","","980.7","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge In2 Li2 S6 -","- Ge In2 Li2 S6 -","- Ge4 In8 Li8 S24 -","4","1","","Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu","Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials","Inorganic Chemistry","2012","51","","5839","5843","10.1021/ic300373z","","","0.71073","MoKα","","0.0239","0.0215","","","0.0489","0.0501","","","","","","0.597","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329225","12.621","0.0004","7.3788","0.0003","12.58","0.0004","90","","109.704","0.002","90","","1102.95","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- In2 Li2 Se6 Si -","- In2 Li2 Se6 Si -","- In8 Li8 Se24 Si4 -","4","1","","Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu","Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials","Inorganic Chemistry","2012","51","","5839","5843","10.1021/ic300373z","","","0.71073","MoKα","","0.0226","0.0221","","","0.0531","0.0534","","","","","","0.787","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329226","12.7226","0.0004","7.4527","0.0004","12.6698","0.0005","90","","109.826","0.004","90","","1130.12","0.09","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ge In2 Li2 Se6 -","- Ge In2 Li2 Se6 -","- Ge4 In8 Li8 Se24 -","4","1","","Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu","Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials","Inorganic Chemistry","2012","51","","5839","5843","10.1021/ic300373z","","","0.71073","MoKα","","0.0375","0.0338","","","0.0773","0.0791","","","","","","1.094","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329227","24.582","0.013","22.488","0.008","27.802","0.01","90","","91.96","0.02","90","","15360","11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C101 H152 N52 Ni13 O31 -","- C101 H116 N52 Ni13 O31 -","- C404 H464 N208 Ni52 O124 -","4","0.5","","Jordi Esteban; Laura Alcázar; Maria Torres-Molina; Montserrat Monfort; Mercè Font-Bardia; Albert Escuer","High Nuclearity in Azido/Oximate Chemistry: Ni14 and Ni13 Clusters with S = 6 and 9 Ground States","Inorganic Chemistry","2012","51","","5503","5505","10.1021/ic3004036","","","0.71073","MoKα","","0.1587","0.0611","","","0.1596","0.2161","","","","","","0.994","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329228","16.2274","0.0014","16.7091","0.0016","19.2008","0.0018","108.409","0.005","92.219","0.005","115.014","0.004","4385.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H135 Cl4 N48 Ni14 O36.5 -","- C95 H96 Cl4 N48 Ni14 O36.54 -","- C95 H96 Cl4 N48 Ni14 O36.54 -","1","0.5","","Jordi Esteban; Laura Alcázar; Maria Torres-Molina; Montserrat Monfort; Mercè Font-Bardia; Albert Escuer","High Nuclearity in Azido/Oximate Chemistry: Ni14 and Ni13 Clusters with S = 6 and 9 Ground States","Inorganic Chemistry","2012","51","","5503","5505","10.1021/ic3004036","","","0.71073","MoKα","","0.0703","0.0424","","","0.138","0.1601","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329229","18.3246","0.0006","32.1089","0.001","39.6037","0.0012","90","","94.488","0.001","90","","23230.7","1.3","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","[LPd2]_19/7(Me2NCHO)_1/7(Et2O)_16/7(H2O)","","","- C70.71 H71 N6.71 O11.14 Pd2 -","- C70.7143 H71 N6.71429 O11.1429 Pd2 -","- C990 H994 N94 O156 Pd28 -","14","7","","Shigehisa Akine; Hiroki Nagumo; Tatsuya Nabeshima","Hierarchical Helix of Helix in the Crystal: Formation of Variable-Pitch Helical π-Stacked Array of Single-Helical Dinuclear Metal Complexes","Inorganic Chemistry","2012","51","","5506","5508","10.1021/ic3004273","","","0.71073","MoKα","","0.0907","0.0726","","","0.1749","0.1867","","","","","","1.091","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329230","22.1467","0.0006","27.5484","0.0008","31.0547","0.0008","90","","90.589","0.001","90","","18945.7","0.9","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","[LNi2]_3.2DMF_0.15iPr2O","","","- C72.5 H70.5 N7.2 Ni2 O9.35 -","- C72.5 H70.5 N7.33333 Ni2 O9.35 -","- C870 H846 N88 Ni24 O112.2 -","12","3","","Shigehisa Akine; Hiroki Nagumo; Tatsuya Nabeshima","Hierarchical Helix of Helix in the Crystal: Formation of Variable-Pitch Helical π-Stacked Array of Single-Helical Dinuclear Metal Complexes","Inorganic Chemistry","2012","51","","5506","5508","10.1021/ic3004273","","","0.71073","MoKα","","0.0574","0.0489","","","0.1312","0.1377","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329231","15.3959","0.0016","17.2098","0.0019","15.233","0.0016","90","","94.186","0.002","90","","4025.4","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O10 Rh2 -","- C12 H20 O10 Rh2 -","- C96 H160 O80 Rh16 -","8","2","","Pilar Amo-Ochoa; Salomé Delgado; Almudena Gallego; Carlos J. Gómez-García; Reyes Jiménez-Aparicio; Gonzalo Martínez; Josefina Perles; M. Rosario Torres","Structure and Properties of One-Dimensional Heterobimetallic Polymers Containing Dicyanoaurate and Dirhodium(II) Fragments","Inorganic Chemistry","2012","51","","5844","5849","10.1021/ic3004307","","","0.71073","MoKα","","0.1848","0.0748","","","0.1824","0.2903","","","","","","1.078","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329232","15.3121","0.0008","14.7414","0.0008","18.8009","0.001","90","","90","","90","","4243.8","0.4","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C14 H20 Au K N2 O8 Rh2 -","- C14 H20 Au K N2 O8 Rh2 -","- C112 H160 Au8 K8 N16 O64 Rh16 -","8","1","","Pilar Amo-Ochoa; Salomé Delgado; Almudena Gallego; Carlos J. Gómez-García; Reyes Jiménez-Aparicio; Gonzalo Martínez; Josefina Perles; M. Rosario Torres","Structure and Properties of One-Dimensional Heterobimetallic Polymers Containing Dicyanoaurate and Dirhodium(II) Fragments","Inorganic Chemistry","2012","51","","5844","5849","10.1021/ic3004307","","","0.71073","MoKα","","0.0574","0.0292","","","0.0637","0.0845","","","","","","1.029","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4329233","8.3645","0.0009","9.0108","0.0009","14.5408","0.0015","93.831","0.002","94.604","0.002","93.759","0.002","1087.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H12 Au K N2 O12 Rh2 -","- C10 H12 Au K N2 O12 Rh2 -","- C20 H24 Au2 K2 N4 O24 Rh4 -","2","1","","Pilar Amo-Ochoa; Salomé Delgado; Almudena Gallego; Carlos J. Gómez-García; Reyes Jiménez-Aparicio; Gonzalo Martínez; Josefina Perles; M. Rosario Torres","Structure and Properties of One-Dimensional Heterobimetallic Polymers Containing Dicyanoaurate and Dirhodium(II) Fragments","Inorganic Chemistry","2012","51","","5844","5849","10.1021/ic3004307","","","0.71073","MoKα","","0.0497","0.0335","","","0.081","0.09","","","","","","0.999","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329234","11.42261","0.00015","14.71446","0.00019","19.402","0.0003","92.4072","0.0012","98.2605","0.0012","91.0646","0.0011","3223.36","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 Gd N5 Ni O12 -","- C27 H40 Gd N5 Ni O12 -","- C108 H160 Gd4 N20 Ni4 O48 -","4","2","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71073","MoKα","","0.0378","0.0288","","","0.0704","0.0718","","","","","","1.136","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329235","11.118","0.005","35.748","0.005","16.381","0.005","90","0.005","90","0.005","90","0.005","6511","4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H40 N5 Ni O12 Y -","- C27 H40 N5 Ni O12 Y -","- C216 H320 N40 Ni8 O96 Y8 -","8","2","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71069","MoKα","","0.0407","0.0328","","","0.0775","0.0798","","","","","","1.017","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329236","11.4079","0.0013","14.7065","0.0017","19.389","0.002","92.451","0.006","98.325","0.006","91.234","0.006","3214.4","0.6","100","2","100","2","","","","","","","Enrique Colacio","6","P -1","-P 1","2","","","","- C27 H40 N5 Ni O12 Tb -","- C27 H40 N5 Ni O12 Tb -","- C108 H160 N20 Ni4 O48 Tb4 -","4","2","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71073","MoKα","","0.0451","0.0338","","","0.0709","0.0769","","","","","","1.061","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329237","11.402","0.005","14.698","0.005","19.384","0.005","92.355","0.005","98.3","0.005","91.063","0.005","3211","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 Ho N5 Ni O12 -","- C27 H40 Ho N5 Ni O12 -","- C108 H160 Ho4 N20 Ni4 O48 -","4","2","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71069","MoKα","","0.0306","0.0273","","","0.063","0.0645","","","","","","1.062","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329238","11.399","0.005","14.685","0.005","19.374","0.005","92.327","0.005","98.281","0.005","91.074","0.005","3206","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 Er N5 Ni O12 -","- C27 H40 Er N5 Ni O12 -","- C108 H160 Er4 N20 Ni4 O48 -","4","2","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71069","MoKα","","0.0274","0.0252","","","0.0591","0.06","","","","","","1.092","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329239","11.365","0.005","14.544","0.005","20.046","0.005","90","0.005","101.374","0.005","90","0.005","3248","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Ho N5 O12 Zn -","- C27 H40 Ho N5 O12 Zn -","- C108 H160 Ho4 N20 O48 Zn4 -","4","1","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71069","MoKα","","0.0325","0.0291","","","0.0763","0.0778","","","","","","1.094","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329240","10.58073","0.00016","21.0969","0.0003","16.4567","0.0002","90","","105.427","0.0015","90","","3541.11","0.09","100","2","100","2","","","","","","","Enrique Colacio","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 N6 Ni O15 Tb -","- C27 H45 N6 Ni O15 Tb -","- C108 H180 N24 Ni4 O60 Tb4 -","4","1","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.7107","MoKα","","0.0279","0.0232","","","0.0555","0.0569","","","","","","1.054","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329241","10.55","0.005","17.526","0.005","20.027","0.005","90","0.005","102.079","0.005","90","0.005","3621","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Gd N6 Ni O16 -","- C27 H43 Gd N6 Ni O16 -","- C108 H172 Gd4 N24 Ni4 O64 -","4","1","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71069","MoKα","","0.0693","0.0494","","","0.1163","0.1274","","","","","","1.025","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329242","10.6262","0.0005","17.6724","0.0009","20.0285","0.001","90","","102.548","0.001","90","","3671.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H47 Eu N6 Ni O16 -","- C27 H47 Eu N6 Ni O16 -","- C108 H188 Eu4 N24 Ni4 O64 -","4","1","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71073","MoKα","","0.0468","0.0391","","","0.094","0.0986","","","","","","1.068","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329243","12.1285","0.0003","22.2252","0.0006","14.8845","0.0004","90","","108.876","0.003","90","","3796.47","0.19","100","2","100","2","","","","","","","Enrique Colacio","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 Dy N5 Ni O13 -","- C33 H46 Dy N5 Ni O13 -","- C132 H184 Dy4 N20 Ni4 O52 -","4","1","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.7107","MoKα","","0.0524","0.0312","","","0.0533","0.0557","","","","","","0.899","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329244","22.497","0.005","12.769","0.005","19.788","0.005","90","0.005","90","0.005","90","0.005","5684","3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H64 Dy N7 Ni O11 -","- C61 H64 Dy N7 Ni O11 -","- C244 H256 Dy4 N28 Ni4 O44 -","4","1","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71073","MoKα","","0.0481","0.0365","","","0.0701","0.0731","","","","","","0.933","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329245","10.462","0.004","10.776","0.004","12.431","0.005","111.109","0.004","99.229","0.004","94.722","0.004","1275.5","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H72 N4 -","- C54 H72 N4 -","- C54 H72 N4 -","1","0.5","","Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang","Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand","Inorganic Chemistry","2012","51","","5889","5896","10.1021/ic3004867","","","0.71073","MoKα","","0.0995","0.079","","","0.1819","0.1944","","","","","","1.062","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329246","23.025","0.004","15.09","0.002","15.758","0.002","90","","93.277","0.002","90","","5466.1","1.4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 N4 -","- C60 H80 N4 -","- C240 H320 N16 -","4","0.5","","Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang","Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand","Inorganic Chemistry","2012","51","","5889","5896","10.1021/ic3004867","","","0.71073","MoKα","","0.1007","0.0664","","","0.1366","0.1517","","","","","","1.015","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329247","13.7979","0.0019","15.384","0.002","15.322","0.002","90","","98.319","0.002","90","","3218.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H102 Li2 N4 O4 -","- C70 H102 Li2 N4 O4 -","- C140 H204 Li4 N8 O8 -","2","0.5","","Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang","Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand","Inorganic Chemistry","2012","51","","5889","5896","10.1021/ic3004867","","","0.71073","MoKα","","0.0665","0.0439","","","0.1043","0.1199","","","","","","1.001","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329248","13.108","0.004","13.284","0.004","13.322","0.007","110.428","0.006","108.699","0.005","105.389","0.004","1863.9","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H100 N4 Na2 O6 -","- C66 H100 N4 Na2 O6 -","- C66 H100 N4 Na2 O6 -","1","0.5","","Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang","Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand","Inorganic Chemistry","2012","51","","5889","5896","10.1021/ic3004867","","","0.71073","MoKα","","0.1194","0.0709","","","0.144","0.1587","","","","","","1.018","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4329249","23.76","0.016","14.801","0.01","23.697","0.016","90","","118.156","0.008","90","","7347","9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H112 K2 N4 O8 -","- C70 H112 K2 N4 O8 -","- C280 H448 K8 N16 O32 -","4","0.5","","Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang","Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand","Inorganic Chemistry","2012","51","","5889","5896","10.1021/ic3004867","","","0.71073","MoKα","","0.114","0.0741","","","0.1516","0.172","","","","","","1.087","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329250","13.5095","0.0015","10.6328","0.0012","32.878","0.003","90","","113.048","0.003","90","","4345.7","0.8","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C84 H132 Cl4 Li2 N4 O6 Zn2 -","- C84 H132 Cl4 Li2 N4 O6 Zn2 -","- C168 H264 Cl8 Li4 N8 O12 Zn4 -","2","0.5","","Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang","Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand","Inorganic Chemistry","2012","51","","5889","5896","10.1021/ic3004867","","","0.71073","MoKα","","0.0973","0.0694","","","0.1559","0.1692","","","","","","1.06","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329251","13.497","0.0013","13.5791","0.0013","23.455","0.002","88.161","0.001","81.326","0.001","79.554","0.001","4179.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H117 Cl4 N4 Na2 O8 Zn2 -","- C73 H115 Cl4 N4 Na2 O8 Zn2 -","- C146 H230 Cl8 N8 Na4 O16 Zn4 -","2","1","","Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang","Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand","Inorganic Chemistry","2012","51","","5889","5896","10.1021/ic3004867","","","0.71073","MoKα","","0.0742","0.0463","","","0.1361","0.1684","","","","","","1.015","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329252","13.105","0.002","18.571","0.003","17.111","0.003","90","","94.964","0.002","90","","4148.7","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H110 Cl4 Li2 N4 O8 Zn2 -","- C70 H110 Cl4 Li2 N4 O8 Zn2 -","- C140 H220 Cl8 Li4 N8 O16 Zn4 -","2","0.5","","Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang","Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand","Inorganic Chemistry","2012","51","","5889","5896","10.1021/ic3004867","","","0.71073","MoKα","","0.1268","0.1043","","","0.3056","0.3243","","","","","","1.05","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329253","17.9789","0.0005","7.8016","0.0002","22.2904","0.0006","90","","90","","90","","3126.54","0.15","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 As N17 -","- C7 H10 As N17 -","- C56 H80 As8 N136 -","8","1","","Benjamin Lyhs; Dieter Bläser; Christoph Wölper; Stephan Schulz; Georg Jansen","First Structural Characterization of Neutral, Base-Stabilized Group 15-Pentaazides: Single Crystal X-ray Structures of dmap-As(N3)5 and dmap-Sb(N3)5","Inorganic Chemistry","2012","51","","5897","5902","10.1021/ic300523k","","","0.71073","MoKα","","0.0392","0.0273","","","0.0537","0.0583","","","","","","1.092","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329254","19.455","0.0005","14.0283","0.0003","11.8465","0.0003","90","","90.021","0.001","90","","3233.15","0.14","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N17 Sb -","- C7 H10 N17 Sb -","- C56 H80 N136 Sb8 -","8","2","","Benjamin Lyhs; Dieter Bläser; Christoph Wölper; Stephan Schulz; Georg Jansen","First Structural Characterization of Neutral, Base-Stabilized Group 15-Pentaazides: Single Crystal X-ray Structures of dmap-As(N3)5 and dmap-Sb(N3)5","Inorganic Chemistry","2012","51","","5897","5902","10.1021/ic300523k","","","0.71073","MoKα","","0.0155","0.0141","","","0.0354","0.0362","","","","","","1.066","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329255","9.7924","0.0005","16.1517","0.0008","21.1854","0.001","90","","90","","90","","3350.8","0.3","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B7 Br Ru -","- C14 H18 B7 Br Ru -","- C112 H144 B56 Br8 Ru8 -","8","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.043","0.0303","","","0.0584","0.0635","","","","","","1.09","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329256","9.7663","0.0001","16.2442","0.0002","20.5721","0.0003","90","","90","","90","","3263.68","0.07","153","1","153","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B7 Cl Ru -","- C14 H18 B7 Cl Ru -","- C112 H144 B56 Cl8 Ru8 -","8","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0218","0.0172","","","0.0423","0.0445","","","","","","1.031","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329257","13.4895","0.0004","18.6032","0.0005","8.4772","0.0002","90","","102.267","0.001","90","","2078.76","0.1","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B7 Fe -","- C22 H23 B7 Fe -","- C88 H92 B28 Fe4 -","4","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0617","0.0574","","","0.1291","0.1305","","","","","","1.292","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329258","9.8425","0.0004","15.6909","0.0006","20.9816","0.0008","90","","90","","90","","3240.3","0.2","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B7 Br Fe -","- C14 H18 B7 Br Fe -","- C112 H144 B56 Br8 Fe8 -","8","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0237","0.0201","","","0.0499","0.0516","","","","","","1.068","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329259","16.8824","0.0007","16.2754","0.0006","12.3339","0.0005","90","","93.617","0.002","90","","3382.2","0.2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B7 Fe I -","- C14 H18 B7 Fe I -","- C112 H144 B56 Fe8 I8 -","8","2","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0428","0.0381","","","0.0981","0.1021","","","","","","1.094","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329260","13.2603","0.0005","8.8602","0.0003","14.9011","0.0005","90","","98.125","0.001","90","","1733.14","0.11","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B7 I Ru -","- C14 H18 B7 I Ru -","- C56 H72 B28 I4 Ru4 -","4","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0286","0.0264","","","0.0713","0.0743","","","","","","1.072","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329261","10.8282","0.0008","10.2318","0.0008","22.0683","0.0018","90","","93.233","0.004","90","","2441.1","0.3","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 B7 Fe2 -","- C26 H27 B7 Fe2 -","- C104 H108 B28 Fe8 -","4","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0545","0.052","","","0.1397","0.1415","","","","","","1.183","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329262","13.9279","0.0007","10.2317","0.0005","14.2707","0.0007","90","","108.243","0.002","90","","1931.44","0.17","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B7 Fe -","- C20 H23 B7 Fe -","- C80 H92 B28 Fe4 -","4","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0256","0.0229","","","0.0599","0.0621","","","","","","0.977","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329263","21.938","0.0009","7.001","0.0003","21.9473","0.001","90","","96.456","0.002","90","","3349.5","0.3","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 B7 Fe -","- C16 H21 B7 Fe -","- C128 H168 B56 Fe8 -","8","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0272","0.0243","","","0.0613","0.0642","","","","","","1.007","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329264","10.3236","0.0018","10.8091","0.0018","15.026","0.003","78.494","0.004","77.506","0.004","66.744","0.003","1491.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 N2 P Pt -","- C30 H45 N2 P Pt -","- C60 H90 N4 P2 Pt2 -","2","1","","Jürgen Bauer; Rüdiger Bertermann; Holger Braunschweig; Katrin Gruss; Florian Hupp; Thomas Kramer","New Metal-Only Lewis Pairs: Elucidating the Electronic Influence of N-Heterocyclic Carbenes and Phosphines on the Dative Pt-Al Bond","Inorganic Chemistry","2012","51","","5617","5626","10.1021/ic300531b","","","0.71073","MoKα","","0.0203","0.019","","","0.0487","0.0492","","","","","","1.066","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329265","10.7618","0.0003","16.4437","0.0004","22.3018","0.0005","90","","100.437","0.001","90","","3881.31","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H50 Al Cl3 N2 P Pt -","- C37 H50 Al Cl3 N2 P Pt -","- C148 H200 Al4 Cl12 N8 P4 Pt4 -","4","1","","Jürgen Bauer; Rüdiger Bertermann; Holger Braunschweig; Katrin Gruss; Florian Hupp; Thomas Kramer","New Metal-Only Lewis Pairs: Elucidating the Electronic Influence of N-Heterocyclic Carbenes and Phosphines on the Dative Pt-Al Bond","Inorganic Chemistry","2012","51","","5617","5626","10.1021/ic300531b","","","0.71073","MoKα","","0.0443","0.0288","","","0.0604","0.0664","","","","","","0.884","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329266","31.069","0.008","10.862","0.003","17.407","0.005","90","","118.672","0.003","90","","5154","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Al Cl3 P2 Pt -","- C18 H42 Al Cl3 P2 Pt -","- C144 H336 Al8 Cl24 P16 Pt8 -","8","1","","Jürgen Bauer; Rüdiger Bertermann; Holger Braunschweig; Katrin Gruss; Florian Hupp; Thomas Kramer","New Metal-Only Lewis Pairs: Elucidating the Electronic Influence of N-Heterocyclic Carbenes and Phosphines on the Dative Pt-Al Bond","Inorganic Chemistry","2012","51","","5617","5626","10.1021/ic300531b","","","0.71073","MoKα","","0.0172","0.0148","","","0.0366","0.0375","","","","","","1.131","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329267","9.8756","0.0011","11.214","0.0012","22.45","0.002","96.912","0.002","93.273","0.002","94.38","0.002","2455.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H156 Al2 Br6 P4 Pt2 -","- C93 H156 Al2 Br6 P4 Pt2 -","- C93 H156 Al2 Br6 P4 Pt2 -","1","0.5","","Jürgen Bauer; Rüdiger Bertermann; Holger Braunschweig; Katrin Gruss; Florian Hupp; Thomas Kramer","New Metal-Only Lewis Pairs: Elucidating the Electronic Influence of N-Heterocyclic Carbenes and Phosphines on the Dative Pt-Al Bond","Inorganic Chemistry","2012","51","","5617","5626","10.1021/ic300531b","","","0.71073","MoKα","","0.032","0.0281","","","0.0659","0.0674","","","","","","1.037","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329268","31.4522","0.0017","10.9575","0.0005","17.4716","0.0009","90","","118.731","0.003","90","","5280.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Al Br3 P2 Pt -","- C18 H42 Al Br3 P2 Pt -","- C144 H336 Al8 Br24 P16 Pt8 -","8","1","","Jürgen Bauer; Rüdiger Bertermann; Holger Braunschweig; Katrin Gruss; Florian Hupp; Thomas Kramer","New Metal-Only Lewis Pairs: Elucidating the Electronic Influence of N-Heterocyclic Carbenes and Phosphines on the Dative Pt-Al Bond","Inorganic Chemistry","2012","51","","5617","5626","10.1021/ic300531b","","","0.71073","MoKα","","0.0525","0.0424","","","0.1087","0.1121","","","","","","1.086","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329269","20.13","0.005","20.13","0.005","13.367","0.004","90","","90","","120","","4691","2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C39 H87.6 Ce Cu6 N9 O34.8 -","- C39 H87 Ce Cu6 N9 O34.8 -","- C78 H174 Ce2 Cu12 N18 O69.6 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0703","0.0504","","","0.1529","0.1636","","","","","","1.113","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329270","19.892","0.007","19.892","0.007","13.304","0.005","90","","90","","120","","4559","3","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C41.25 H96.2 Cu6 N9 O36.85 Pr -","- C41.25 H96 Cu6 N9 O36.85 Pr -","- C82.5 H192 Cu12 N18 O73.7 Pr2 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0801","0.0478","","","0.1232","0.1341","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329271","19.88","0.008","19.88","0.008","13.243","0.005","90","","90","","120","","4533","3","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C42.75 H102.2 Cu6 N9 Nd O38.35 -","- C42.75 H102 Cu6 N9 Nd O38.35 -","- C85.5 H204 Cu12 N18 Nd2 O76.7 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.1052","0.0721","","","0.165","0.1791","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329272","19.858","0.006","19.858","0.006","13.23","0.004","90","","90","","120","","4518","2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C42.75 H102.2 Cu6 N9 O38.35 Sm -","- C42.75 H102 Cu6 N9 O38.35 Sm -","- C85.5 H204 Cu12 N18 O76.7 Sm2 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.1008","0.0645","","","0.134","0.1478","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329273","19.827","0.004","19.827","0.004","13.258","0.003","90","","90","","120","","4513.6","1.6","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C42.75 H102 Cu6 Eu N9 O38.25 -","- C42.75 H102 Cu6 Eu N9 O38.25 -","- C85.5 H204 Cu12 Eu2 N18 O76.5 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0819","0.054","","","0.1289","0.1408","","","","","","1.1","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329274","19.929","0.006","19.929","0.006","13.308","0.004","90","","90","","120","","4577","2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C40.5 H95.25 Cu6 Gd N9 O37.125 -","- C40.5 H93 Cu6 Gd N9 O37.125 -","- C81 H186 Cu12 Gd2 N18 O74.25 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0504","0.0332","","","0.1031","0.1085","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329275","20.013","0.009","20.013","0.009","13.26","0.003","90","","90","","120","","4599","3","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.5 H69 Cu6 N9 O33 Tb -","- C31.5 H66 Cu6 N9 O33 Tb -","- C63 H132 Cu12 N18 O66 Tb2 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.1913","0.098","","","0.2132","0.2454","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329276","20.116","0.005","20.116","0.005","13.338","0.005","90","","90","","120","","4674","2","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C39 H87 Cu6 Dy N9 O34.5 -","- C39 H87 Cu6 Dy N9 O34.5 -","- C78 H174 Cu12 Dy2 N18 O69 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0689","0.0474","","","0.136","0.1442","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329277","19.802","0.006","19.802","0.006","13.224","0.004","90","","90","","120","","4491","2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C42.75 H102 Cu6 Ho N9 O38.25 -","- C42.75 H102 Cu6 Ho N9 O38.25 -","- C85.5 H204 Cu12 Ho2 N18 O76.5 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0571","0.045","","","0.1076","0.1125","","","","","","1.123","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329278","19.955","0.004","19.955","0.004","13.273","0.003","90","","90","","120","","4577.2","1.7","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C42.75 H102.2 Cu6 Er N9 O38.35 -","- C42.75 H102 Cu6 Er N9 O38.35 -","- C85.5 H204 Cu12 Er2 N18 O76.7 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0945","0.0598","","","0.1369","0.1479","","","","","","1.114","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329279","19.852","0.007","19.852","0.007","13.239","0.004","90","","90","","120","","4519","3","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C42.75 H102 Cu6 N9 O38.25 Tm -","- C42.75 H102 Cu6 N9 O38.25 Tm -","- C85.5 H204 Cu12 N18 O76.5 Tm2 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.083","0.0549","","","0.123","0.1328","","","","","","1.14","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329280","19.965","0.005","19.965","0.005","13.193","0.004","90","","90","","120","","4554","2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C39 H87.2 Cu6 N9 O34.6 Yb -","- C39 H87 Cu6 N9 O34.6 Yb -","- C78 H174 Cu12 N18 O69.2 Yb2 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0894","0.0636","","","0.1548","0.1644","","","","","","1.235","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329281","20.282","0.006","20.282","0.006","13.339","0.004","90","","90","","120","","4752","2","100","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C36 H84.24 Dy N9 O36.12 Zn6 -","- C36 H84 Dy N9 O36.12 Zn6 -","- C72 H168 Dy2 N18 O72.24 Zn12 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0563","0.0449","","","0.1177","0.1224","","","","","","1.099","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329282","26.304","0.009","9.647","0.003","15.03","0.005","90","","98.622","0.005","90","","3771","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 N6 O2 P4 -","- C30 H60 N6 O2 P4 -","- C120 H240 N24 O8 P16 -","4","0.5","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.049","0.0376","","","0.0926","0.0994","","","","","","1.039","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329283","14.0072","0.0015","9.5032","0.001","25.39","0.003","90","","97.656","0.002","90","","3349.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 N8 O8 P8 -","- C56 H88 N8 O8 P8 -","- C112 H176 N16 O16 P16 -","2","0.5","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.0529","0.038","","","0.09","0.0982","","","","","","1.027","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329284","19.993","0.004","18.277","0.004","22.778","0.004","90","","90","","90","","8323","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H60 Cu I N6 O2 P4 -","- C30 H60 Cu I N6 O2 P4 -","- C240 H480 Cu8 I8 N48 O16 P32 -","8","1","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.1007","0.059","","","0.1432","0.1742","","","","","","1.024","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329285","19.742","0.002","13.3563","0.0016","33.573","0.004","90","","90","","90","","8852.5","1.7","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C250 H496 Cl12 Cu8 N52 O16 P32 -","- C250 H496 Cl12 Cu8 N52 O16 P32 -","- C250 H496 Cl12 Cu8 N52 O16 P32 -","1","0.25","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.0886","0.0569","","","0.1173","0.1289","","","","","","0.947","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329286","38.942","0.005","11.0604","0.0013","32.778","0.004","90","","119.582","0.001","90","","12278","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38.25 H72.5 Cl0.5 Cu4 I4 N10 O2 P4 -","- C38.25 H72.5 Cl0.5 Cu4 I4 N10 O2 P4 -","- C306 H580 Cl4 Cu32 I32 N80 O16 P32 -","8","1","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.0358","0.0277","","","0.0613","0.0652","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329287","10.8133","0.001","26.476","0.002","16.7607","0.0015","90","","90.645","0.001","90","","4798.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 Br Cu N6 O2 P4 -","- C30 H60 Br Cu N6 O2 P4 -","- C120 H240 Br4 Cu4 N24 O8 P16 -","4","1","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.0633","0.0434","","","0.1091","0.1153","","","","","","1.031","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329288","18.0803","0.0018","10.1715","0.001","18.0946","0.0018","90","","103.199","0.001","90","","3239.8","0.6","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N4 O4 P4 -","- C28 H44 N4 O4 P4 -","- C112 H176 N16 O16 P16 -","4","1","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.0782","0.0668","","","0.193","0.2083","","","","","","1.055","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329289","12.0127","0.0006","13.9234","0.0007","11.9517","0.0006","90","","110.451","0.001","90","","1873.02","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N4 O4 P4 Se4 -","- C28 H44 N4 O4 P4 Se4 -","- C56 H88 N8 O8 P8 Se8 -","2","0.5","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.0241","0.0217","","","0.0549","0.056","","","","","","1.061","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329290","14.9089","0.0005","13.8674","0.0005","21.3702","0.0008","90","","90","","90","","4418.2","0.3","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C37 H41 Mo5 O19 P W -","- C37 H41 Mo5 O19 P W -","- C148 H164 Mo20 O76 P4 W4 -","4","0.5","","Gülnur Taban-Çalişkan; Daniel Mesquita Fernandes; Jean-Claude Daran; Dominique Agustin; Funda Demirhan; Rinaldo Poli","Rational Synthesis and Characterization of the Mixed-Metal Organometallic Polyoxometalates [Cp*Mo~x~W~6-x~O~18~]^-^ (x = 0, 1, 5, 6)","Inorganic Chemistry","2012","51","","5931","5940","10.1021/ic300578g","","","0.71073","MoKα","","0.0543","0.0332","","","0.0733","0.0809","","","","","","0.976","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329291","11.8997","0.0005","25.9172","0.0013","12.716","0.0006","90","","90.405","0.005","90","","3921.6","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H51 Mo5 N O18 W -","- C26 H51 Mo5 N O18 W -","- C104 H204 Mo20 N4 O72 W4 -","4","1","","Gülnur Taban-Çalişkan; Daniel Mesquita Fernandes; Jean-Claude Daran; Dominique Agustin; Funda Demirhan; Rinaldo Poli","Rational Synthesis and Characterization of the Mixed-Metal Organometallic Polyoxometalates [Cp*Mo~x~W~6-x~O~18~]^-^ (x = 0, 1, 5, 6)","Inorganic Chemistry","2012","51","","5931","5940","10.1021/ic300578g","","","0.71073","MoKα","","0.0935","0.0572","","","0.1261","0.1368","","","","","","1.066","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329292","14.8994","0.0007","13.8507","0.0007","21.2967","0.0008","90","","90","","90","","4394.9","0.3","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H41 Mo6 O19 P -","- C37 H41 Mo6 O19 P -","- C148 H164 Mo24 O76 P4 -","4","0.5","","Gülnur Taban-Çalişkan; Daniel Mesquita Fernandes; Jean-Claude Daran; Dominique Agustin; Funda Demirhan; Rinaldo Poli","Rational Synthesis and Characterization of the Mixed-Metal Organometallic Polyoxometalates [Cp*Mo~x~W~6-x~O~18~]^-^ (x = 0, 1, 5, 6)","Inorganic Chemistry","2012","51","","5931","5940","10.1021/ic300578g","","","0.71073","MoKα","","0.0355","0.0271","","","0.0621","0.0674","","","","","","1.138","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329293","7.9386","0.0002","7.9386","0.0002","5.2641","0.0003","90","","90","","90","","331.75","0.02","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca1.033 Ga3 La0.967 O7 -","- Ca1.032 Ga3 La0.968 O7 -","- Ca2.064 Ga6 La1.936 O14 -","2","0.25","","Fengxia Wei; Tom Baikie; Tao An; Christian Kloc; Jun Wei; Tim J. White","Crystal Chemistry of Melilite [CaLa]2[Ga]2[Ga2O7]2: a Five Dimensional Solid Electrolyte","Inorganic Chemistry","2012","51","","5941","5949","10.1021/ic300585t","","x-ray","0.71073","MoKα","","0.0238","0.0235","","","0.0608","0.0609","","","","1.69","1.69","1.68","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329294","16.9298","0.0005","16.9298","0.0005","8.2882","0.0003","90","","90","","90","","2375.55","0.13","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C21 H51 Cl8 N17 O6 Pt4 -","- C21 H51 Cl8 N17 O6 Pt4 -","- C42 H102 Cl16 N34 O12 Pt8 -","2","0.25","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.027","0.0231","","","0.0591","0.0607","","","","","","1.1","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329295","9.3173","0.0005","15.4481","0.0008","9.581","0.0005","90","","104.144","0.003","90","","1337.23","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl2 N4 O Pt -","- C10 H14 Cl2 N4 O Pt -","- C40 H56 Cl8 N16 O4 Pt4 -","4","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.0253","0.0198","","","0.0373","0.0385","","","","","","1.036","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329296","10.9178","0.0004","15.4044","0.0006","10.2575","0.0004","90","","106.805","0.002","90","","1651.46","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N4 O Pt -","- C13 H18 Cl2 N4 O Pt -","- C52 H72 Cl8 N16 O4 Pt4 -","4","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.0592","0.0356","","","0.0633","0.0714","","","","","","0.985","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329297","18.2754","0.0009","21.5067","0.001","11.2998","0.0006","90","","90","","90","","4441.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42.5 H37.5 Cl4 N8.5 O3 Pt2 -","- C42.5 H37.5 Cl4 N8.5 O3 Pt2 -","- C170 H150 Cl16 N34 O12 Pt8 -","4","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.0291","0.0243","","","0.0502","0.052","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329298","7.812","0.0001","10.5141","0.0002","15.9756","0.0003","85.43","0.001","77.612","0.001","89.473","0.001","1277.51","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Cl2 N8 O3 Pt -","- C20 H30 Cl2 N8 O3 Pt -","- C40 H60 Cl4 N16 O6 Pt2 -","2","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.041","0.0235","","","0.0545","0.06","","","","","","1.004","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329299","7.8022","0.0002","9.7314","0.0002","10.2465","0.0002","97.93","0.001","103.765","0.001","97.701","0.001","737.07","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 F6 N6 O8 Pt S2 -","- C22 H26 F6 N6 O8 Pt S2 -","- C22 H26 F6 N6 O8 Pt S2 -","1","0.5","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.0142","0.0142","","","0.0361","0.0361","","","","","","1.038","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329300","14.0868","0.0008","29.1131","0.0017","17.3762","0.001","90","","100.91","0.003","90","","6997.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H79 Cl4 N23 O19 Pt2 -","- C45 H73 Cl4 N21 O15 Pt2 -","- C180 H292 Cl16 N84 O60 Pt8 -","4","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.1016","0.0588","","","0.131","0.1445","","","","","","0.99","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329301","8.4236","0.0001","13.5228","0.0002","14.1163","0.0002","95.381","0.001","102.22","0.001","91.11","0.001","1563.37","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N9 O10 Pt -","- C29 H29 N9 O10 Pt -","- C58 H58 N18 O20 Pt2 -","2","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.0398","0.0303","","","0.0631","0.0662","","","","","","1.028","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329302","18.5387","0.0009","7.7353","0.0003","20.1238","0.0008","90","","108.033","0.003","90","","2744","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Cl2 N6 O4 Pt -","- C22 H34 Cl2 N6 O4 Pt -","- C88 H136 Cl8 N24 O16 Pt4 -","4","0.5","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.0268","0.0189","","","0.038","0.0418","","","","","","1.058","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329303","8.6047","0.0013","10.7924","0.0014","14.473","0.002","91.102","0.006","92.266","0.006","100.388","0.006","1320.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl2 N6 O2 Pt -","- C28 H26 Cl2 N6 O2 Pt -","- C56 H52 Cl4 N12 O4 Pt2 -","2","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.062","0.0475","","","0.0995","0.1038","","","","","","1.242","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329304","9.6553","0.0006","11.4717","0.0003","12.23","0.0004","116.327","0.001","97.233","0.002","94.013","0.002","1192.34","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl2 N6 O2 Pt -","- C20 H26 Cl2 N6 O2 Pt -","- C40 H52 Cl4 N12 O4 Pt2 -","2","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.0332","0.0257","","","0.0538","0.056","","","","","","1.09","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329305","11.0603","0.0015","16.493","0.002","17.632","0.002","90","","90","","90","","3216.4","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H56 N2 O5 Os P2 -","- C27 H56 N2 O5 Os P2 -","- C108 H224 N8 O20 Os4 P8 -","4","1","","Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván; Enrique Oñate","N-H and N-C Bond Activation of Pyrimidinic Nucleobases and Nucleosides Promoted by an Osmium Polyhydride","Inorganic Chemistry","2012","51","","5975","5984","10.1021/ic300639j","","","0.71073","MoKα","","0.0218","0.02","","","0.0441","0.0447","","","","","","1.009","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329306","14.6768","0.0007","16.0063","0.0007","21.5187","0.001","90","","99.218","0.001","90","","4989.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H94 N2 O2 Os2 P4 -","- C41 H94 N2 O2 Os2 P4 -","- C164 H376 N8 O8 Os8 P16 -","4","1","","Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván; Enrique Oñate","N-H and N-C Bond Activation of Pyrimidinic Nucleobases and Nucleosides Promoted by an Osmium Polyhydride","Inorganic Chemistry","2012","51","","5975","5984","10.1021/ic300639j","","","0.71073","MoKα","","0.038","0.0266","","","0.0546","0.0566","","","","","","0.984","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329307","17.7824","0.0017","20.108","0.002","30.682","0.003","90","","96.974","0.001","90","","10889.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 N2 O2 Os P2 -","- C22 H48 N2 O2 Os P2 -","- C352 H768 N32 O32 Os16 P32 -","16","4","","Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván; Enrique Oñate","N-H and N-C Bond Activation of Pyrimidinic Nucleobases and Nucleosides Promoted by an Osmium Polyhydride","Inorganic Chemistry","2012","51","","5975","5984","10.1021/ic300639j","","","0.71073","MoKα","","0.116","0.042","","","0.0649","0.0737","","","","","","0.766","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329308","14.5812","0.0008","15.3195","0.0009","21.85","0.001","94.468","0.004","96.225","0.001","116.418","0.006","4301.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Cl12 Co2 O15 -","- C20 H38 Cl12 Co2 O15 -","- C80 H152 Cl48 Co8 O60 -","4","2","","Z. Tomkowicz; S. Ostrovsky; S. Foro; V. Calvo-Perez; W. Haase","Magnetooptical and Structural Investigations of Five Dimeric Cobalt(II) Complexes Mimicking Metalloenzyme Active Sites","Inorganic Chemistry","2012","51","","6046","6055","10.1021/ic202529p","","","0.71073","MoKα","","0.0617","0.0362","","","0.0784","0.0986","","","","","","1.127","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329309","11.657","0.001","32.949","0.003","11.928","0.001","90","","110.174","0.008","90","","4300.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 Cl24 Co4 O36 -","- C44 H68 Cl24 Co4 O36 -","- C88 H136 Cl48 Co8 O72 -","2","0.5","","Z. Tomkowicz; S. Ostrovsky; S. Foro; V. Calvo-Perez; W. Haase","Magnetooptical and Structural Investigations of Five Dimeric Cobalt(II) Complexes Mimicking Metalloenzyme Active Sites","Inorganic Chemistry","2012","51","","6046","6055","10.1021/ic202529p","","","0.71073","MoKα","","0.1056","0.0871","","","0.179","0.1853","","","","","","1.337","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329310","13.8631","0.0007","14.3824","0.0007","23.227","0.001","80.651","0.004","77","0.004","62.335","0.005","3987.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 Cl15 Co2 O15 -","- C18 H23 Cl15 Co2 O15 -","- C72 H92 Cl60 Co8 O60 -","4","2","","Z. Tomkowicz; S. Ostrovsky; S. Foro; V. Calvo-Perez; W. Haase","Magnetooptical and Structural Investigations of Five Dimeric Cobalt(II) Complexes Mimicking Metalloenzyme Active Sites","Inorganic Chemistry","2012","51","","6046","6055","10.1021/ic202529p","","","0.71073","MoKα","","0.0801","0.0602","","","0.1531","0.1647","","","","","","1.018","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329311","22.5438","0.0006","13.4588","0.0005","11.6256","0.0005","90","","90","","90","","3527.4","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H22 Cl12 Co2 O13 -","- C16 H22 Cl12 Co2 O13 -","- C64 H88 Cl48 Co8 O52 -","4","0.5","","Z. Tomkowicz; S. Ostrovsky; S. Foro; V. Calvo-Perez; W. Haase","Magnetooptical and Structural Investigations of Five Dimeric Cobalt(II) Complexes Mimicking Metalloenzyme Active Sites","Inorganic Chemistry","2012","51","","6046","6055","10.1021/ic202529p","","","0.71073","MoKα","","0.0456","0.0337","","","0.0503","0.0601","","","","","","1.248","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329312","11.97","0.001","19.793","0.002","22.769","0.002","90","","103.791","0.007","90","","5239","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 Co2 O17 -","- C40 H78 Co2 O17 -","- C160 H312 Co8 O68 -","4","1","","Z. Tomkowicz; S. Ostrovsky; S. Foro; V. Calvo-Perez; W. Haase","Magnetooptical and Structural Investigations of Five Dimeric Cobalt(II) Complexes Mimicking Metalloenzyme Active Sites","Inorganic Chemistry","2012","51","","6046","6055","10.1021/ic202529p","","","0.71073","MoKα","","0.1618","0.0661","","","0.0884","0.11","","","","","","1.008","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329313","12.0809","0.0002","14.8646","0.0002","17.5309","0.0002","90","","94.908","0.001","90","","3136.62","0.08","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H20.5 N3 O12.75 V2 -","- C5 H19.5 N3 O12.75 V2 -","- C40 H156 N24 O102 V16 -","8","2","","C. Gabriel; E. Kioseoglou; J. Venetis; V. Psycharis; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Bertmer; C. Mateescu; A. Salifoglou","pH-Specific Structural Speciation of the Ternary V(V)-Peroxido-Betaine System: A Chemical Reactivity-Structure Correlation","Inorganic Chemistry","2012","51","","6056","6069","10.1021/ic2025878","","","1.54178","CuKα","","0.0609","0.0487","","","0.1217","0.1324","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329314","12.211","0.005","11.481","0.004","22.266","0.009","90","","90","0.009","90","","3122","2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C5 H13 K2 N O13 V2 -","- C5 H13 K2 N O13 V2 -","- C40 H104 K16 N8 O104 V16 -","8","1","","C. Gabriel; E. Kioseoglou; J. Venetis; V. Psycharis; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Bertmer; C. Mateescu; A. Salifoglou","pH-Specific Structural Speciation of the Ternary V(V)-Peroxido-Betaine System: A Chemical Reactivity-Structure Correlation","Inorganic Chemistry","2012","51","","6056","6069","10.1021/ic2025878","","","0.71073","MoKα","","0.0507","0.0395","","","0.1013","0.1086","","","","","","1.061","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329315","10.8295","0.0002","10.8893","0.0002","11.5148","0.0002","111.912","0.001","108.499","0.001","94.355","0.001","1165.19","0.04","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H30 N2 Na2 O18 V2 -","- C10 H30 N2 Na2 O18 V2 -","- C20 H60 N4 Na4 O36 V4 -","2","1","","C. Gabriel; E. Kioseoglou; J. Venetis; V. Psycharis; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Bertmer; C. Mateescu; A. Salifoglou","pH-Specific Structural Speciation of the Ternary V(V)-Peroxido-Betaine System: A Chemical Reactivity-Structure Correlation","Inorganic Chemistry","2012","51","","6056","6069","10.1021/ic2025878","","","1.54178","CuKα","","0.0307","0.0296","","","0.0785","0.0791","","","","","","1.024","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329316","11.897","0.004","14.105","0.005","14.454","0.005","67.379","0.005","85.495","0.007","69.564","0.007","2093.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Mo2 N10 O6 -","- C34 H46 Mo2 N10 O6 -","- C68 H92 Mo4 N20 O12 -","2","1","","Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe","Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes","Inorganic Chemistry","2012","51","","6070","6080","10.1021/ic202631c","","","0.71073","MoKα","","0.2536","0.082","","","0.1676","0.2188","","","","","","0.84","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329317","7.7764","0.0018","13.535","0.003","13.609","0.003","90","","102.601","0.005","90","","1397.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Mn N7 O3 -","- C11 H8 Mn N7 O3 -","- C44 H32 Mn4 N28 O12 -","4","1","","Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe","Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes","Inorganic Chemistry","2012","51","","6070","6080","10.1021/ic202631c","","","0.71073","MoKα","","0.0456","0.0338","","","0.0837","0.0878","","","","","","1","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329318","8.733","0.007","10.655","0.008","13.642","0.011","98.909","0.013","96.89","0.013","107.068","0.013","1180.3","1.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Mn N7 O4 -","- C19 H24 Mn N7 O4 -","- C38 H48 Mn2 N14 O8 -","2","1","","Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe","Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes","Inorganic Chemistry","2012","51","","6070","6080","10.1021/ic202631c","","","0.71073","MoKα","","0.09","0.0608","","","0.1506","0.1609","","","","","","1.161","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329319","16.232","0.007","9.622","0.004","27.2","0.009","90","","97.354","0.007","90","","4213","3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 Br Mn2 N11 O6 -","- C20 H16 Br Mn2 N11 O6 -","- C120 H96 Br6 Mn12 N66 O36 -","6","1.5","","Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe","Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes","Inorganic Chemistry","2012","51","","6070","6080","10.1021/ic202631c","","","0.71073","MoKα","","0.1024","0.076","","","0.1656","0.1763","","","","","","1.113","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329320","16.046","0.011","8.88","0.006","23.199","0.016","90","","90","","90","","3306","4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H24 Cl Mn2 N11 O11 -","- C24 H24 Cl Mn2 N11 O11 -","- C96 H96 Cl4 Mn8 N44 O44 -","4","1","","Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe","Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes","Inorganic Chemistry","2012","51","","6070","6080","10.1021/ic202631c","","","0.71073","MoKα","","0.183","0.1054","","","0.1751","0.206","","","","","","1.192","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329321","4.830251","0.000016","5.775132","0.000017","5.15715","0.000014","90","","91.4251","0.0003","90","","143.816","0.0007","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- In O4 Ta -","- In O4 Ta -","- In2 O8 Ta2 -","2","0.5","","Andrew C. Malingowski; Peter W. Stephens; Ashfia Huq; Qingzhen Huang; Syed Khalid; Peter G. Khalifah","Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4 and Its Implications for Water Splitting Activity in the Wolframite Structure Type","Inorganic Chemistry","2012","51","","6096","6103","10.1021/ic202715c","powder diffraction","x-ray","0.697255","","","","","","","","","0.01898","","0.96","","","","","","","has coordinates,has Fobs","179396","2020-10-21","18:00:00",""
"4329322","4.824528","0.000027","5.773787","0.00003","5.155303","0.000025","90","","91.3764","0.0003","90","","143.564","0.0013","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- In0.94 Ni0.04 O4 Ta1.02 -","- In0.94451 Ni0.03699 O4 Ta1.01849 -","- In1.88902 Ni0.07398 O8 Ta2.03698 -","2","0.5","","Andrew C. Malingowski; Peter W. Stephens; Ashfia Huq; Qingzhen Huang; Syed Khalid; Peter G. Khalifah","Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4 and Its Implications for Water Splitting Activity in the Wolframite Structure Type","Inorganic Chemistry","2012","51","","6096","6103","10.1021/ic202715c","powder diffraction","x-ray","0.697255","","","","","","","","","0.03132","","0.91","","","","","","","has coordinates,has Fobs","179396","2020-10-21","18:00:00",""
"4329323","4.17861","0.00022","4.17861","","4.17861","","90","","90","","90","","72.962","0.004","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andrew C. Malingowski; Peter W. Stephens; Ashfia Huq; Qingzhen Huang; Syed Khalid; Peter G. Khalifah","Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4 and Its Implications for Water Splitting Activity in the Wolframite Structure Type","Inorganic Chemistry","2012","51","","6096","6103","10.1021/ic202715c","powder diffraction","","","","","","","","","","","","","0.91","","","","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329324","4.81863","0.000023","5.77023","0.000026","5.152369","0.000023","90","","91.3467","0.0004","90","","143.22","0.0011","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- In0.91 Ni0.06 O4 Ta1.03 -","- In0.9146 Ni0.05693 O4 Ta1.02847 -","- In1.8292 Ni0.11386 O8 Ta2.05694 -","2","0.5","","Andrew C. Malingowski; Peter W. Stephens; Ashfia Huq; Qingzhen Huang; Syed Khalid; Peter G. Khalifah","Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4 and Its Implications for Water Splitting Activity in the Wolframite Structure Type","Inorganic Chemistry","2012","51","","6096","6103","10.1021/ic202715c","powder diffraction","neutron","","","","","","","","","","0.08053","","0.99","","","","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329325","4.1771","0.00008","4.1771","","4.1771","","90","","90","","90","","72.8827","0.0014","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andrew C. Malingowski; Peter W. Stephens; Ashfia Huq; Qingzhen Huang; Syed Khalid; Peter G. Khalifah","Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4 and Its Implications for Water Splitting Activity in the Wolframite Structure Type","Inorganic Chemistry","2012","51","","6096","6103","10.1021/ic202715c","powder diffraction","neutron","","","","","","","","","","0.08053","","0.99","","","","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329326","11.655","0.002","11.655","0.002","4.0668","0.0008","90","","90","","90","","552.43","0.17","296","2","296","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Al12 Dy5 Fe4 Mg5 Si6 -","- Al12 Dy5 Fe4 Mg5 Si6 -","- Al12 Dy5 Fe4 Mg5 Si6 -","1","0.0625","","Xiaowei Ma; Banghao Chen; Susan E. Latturner","Synthesis and Properties of New Multinary Silicides R5Mg5Fe4AlxSi18-x (R = Gd, Dy, Y, x~ 12) Grown in Mg/Al Flux","Inorganic Chemistry","2012","51","","6089","6095","10.1021/ic202735b","","","0.71073","MoKα","","0.0158","0.0155","","","0.0385","0.0386","","","","","","1.3","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329327","11.707","0.004","11.707","0.004","4.0871","0.0015","90","","90","","90","","560.2","0.3","296","2","296","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Al12 Fe4 Gd5 Mg5 Si6 -","- Al12 Fe4 Gd5 Mg5 Si6 -","- Al12 Fe4 Gd5 Mg5 Si6 -","1","0.0625","","Xiaowei Ma; Banghao Chen; Susan E. Latturner","Synthesis and Properties of New Multinary Silicides R5Mg5Fe4AlxSi18-x (R = Gd, Dy, Y, x~ 12) Grown in Mg/Al Flux","Inorganic Chemistry","2012","51","","6089","6095","10.1021/ic202735b","","","0.71073","MoKα","","0.0148","0.0138","","","0.0333","0.0335","","","","","","1.208","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329328","11.703","0.011","11.703","0.011","4.074","0.004","90","","90","","90","","558","0.9","296","2","296","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Al12 Fe4 Mg5 Si6 Y5 -","- Al12 Fe4 Mg5 Si6 Y5 -","- Al12 Fe4 Mg5 Si6 Y5 -","1","0.0625","","Xiaowei Ma; Banghao Chen; Susan E. Latturner","Synthesis and Properties of New Multinary Silicides R5Mg5Fe4AlxSi18-x (R = Gd, Dy, Y, x~ 12) Grown in Mg/Al Flux","Inorganic Chemistry","2012","51","","6089","6095","10.1021/ic202735b","","","0.71073","MoKα","","0.0244","0.0229","","","0.0563","0.0567","","","","","","1.346","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329329","14.783","0.0003","18.479","0.0006","22.901","0.0008","90","","97.235","0.002","90","","6206.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H70 Cl N5 Ni2 O15.5 -","- C59 H64 Cl N5 Ni2 O15.5 -","- C236 H256 Cl4 N20 Ni8 O62 -","4","1","","Clovis Piovezan; Jaqueline M. R. Silva; Ademir Neves; Adailton J. Bortoluzzi; Wolfgang Haase; Zbigniew Tomkowicz; Eduardo E. Castellano; Tessa C. S. Hough; Liane M. Rossi","Design of a Dinuclear Nickel(II) Bioinspired Hydrolase to Bind Covalently to Silica Surfaces: Synthesis, Magnetism, and Reactivity Studies","Inorganic Chemistry","2012","51","","6104","6115","10.1021/ic300018t","","","0.71073","MoKα","","0.115","0.0915","","","0.2436","0.2653","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329330","8.7438","0.0001","4.85855","0.00007","10.8602","0.0002","90","","90.1276","0.0009","90","","461.364","0.012","300","","300","","","","","","","","synthetic","3","P 1 2/a 1","-P 2ya","13","AlPO4 moganite","AlPO4 moganite structure (high pressure phase)","","- Al3 O12 P3 -","- Al3 O12 P3 -","- Al6 O24 P6 -","2","0.5","","Masami Kanzaki; Xianyu Xue","Structural Characterization of Moganite-Type AlPO4 by NMR and Powder X-ray Diffraction","Inorganic Chemistry","2012","51","","6164","6172","10.1021/ic300167k","powder diffraction","","0.50029","synchrotron","","0.02574","","","","","","0.02575","0.02959","1.8839","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329331","19.0217","0.0006","19.0217","0.0006","19.0217","0.0006","90","","90","","90","","6882.5","0.4","100","0.3","100","0.3","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Cs6 Cu12 S15 U2 -","- Cs6 Cu12 S15 U2 -","- Cs48 Cu96 S120 U16 -","8","0.0833333","","Christos D. Malliakas; Jiyong Yao; Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Eun Sang Choi; Mahalingam Balasubramanian; L. Soderholm; Donald E. Ellis; Mercouri G. Kanatzidis; James A. Ibers","Oxidation State of Uranium in A6Cu12U2S15 (A = K, Rb, Cs) Compounds","Inorganic Chemistry","2012","51","","6153","6163","10.1021/ic300172k","","","0.71073","MoKα","","0.0364","0.0362","","","0.065","0.0651","","","","","","1.66","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329332","18.552","0.0003","18.552","0.0003","18.552","0.0003","90","","90","","90","","6385.17","0.18","100","0.3","100","0.3","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cu12 K6 S15 U2 -","- Cu12 K6 S15 U2 -","- Cu96 K48 S120 U16 -","8","0.333333","","Christos D. Malliakas; Jiyong Yao; Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Eun Sang Choi; Mahalingam Balasubramanian; L. Soderholm; Donald E. Ellis; Mercouri G. Kanatzidis; James A. Ibers","Oxidation State of Uranium in A6Cu12U2S15 (A = K, Rb, Cs) Compounds","Inorganic Chemistry","2012","51","","6153","6163","10.1021/ic300172k","","","0.71073","MoKα","","0.0478","0.0457","","","0.1157","0.1185","","","","","","1.19","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329333","18.6208","0.0007","18.6208","0.0007","18.6208","0.0007","90","","90","","90","","6456.5","0.4","300","0.3","300","0.3","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Cu12 K6 S15 U2 -","- Cu12 K6 S15 U2 -","- Cu96 K48 S120 U16 -","8","0.0833333","","Christos D. Malliakas; Jiyong Yao; Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Eun Sang Choi; Mahalingam Balasubramanian; L. Soderholm; Donald E. Ellis; Mercouri G. Kanatzidis; James A. Ibers","Oxidation State of Uranium in A6Cu12U2S15 (A = K, Rb, Cs) Compounds","Inorganic Chemistry","2012","51","","6153","6163","10.1021/ic300172k","","","0.71073","MoKα","","0.0481","0.0481","","","0.1362","0.1363","","","","","","1.248","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329334","18.8064","0.0005","18.8064","0.0005","18.8064","0.0005","90","","90","","90","","6651.5","0.3","153","2","153","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Cu12 Rb6 S15 U2 -","- Cu12 Rb6 S15 U2 -","- Cu96 Rb48 S120 U16 -","8","0.0833333","","Christos D. Malliakas; Jiyong Yao; Daniel M. Wells; Geng Bang Jin; S. Skanthakumar; Eun Sang Choi; Mahalingam Balasubramanian; L. Soderholm; Donald E. Ellis; Mercouri G. Kanatzidis; James A. Ibers","Oxidation State of Uranium in A6Cu12U2S15 (A = K, Rb, Cs) Compounds","Inorganic Chemistry","2012","51","","6153","6163","10.1021/ic300172k","","","0.71073","MoKα","","0.0393","0.0258","","","0.0567","0.0645","","","","","","1.276","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329335","9.182","0.003","9.182","0.003","7.035","0.002","90","","90","","90","","593.1","0.3","150","2","150","2","","","","","","","","3","I -4","I -4","82","Tetrakis(chlorosilyl)silane","","","- Cl4 H8 Si5 -","- Cl4 H8 Si5 -","- Cl8 H16 Si10 -","2","0.25","","Harald Stueger; Thomas Mitterfellner; Roland Fischer; Christoph Walkner; Matthias Patz; Stephan Wieber","Partial Halogenation of Cyclic and Branched Perhydropentasilanes","Inorganic Chemistry","2012","51","","6173","6179","10.1021/ic300214y","","","0.71073","MoKα","","0.0192","0.0182","","","0.0407","0.0411","","","","","","1.112","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329336","11.8326","0.0008","22.1445","0.0015","8.6689","0.0006","90","","92.067","0.002","90","","2270","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nonachloromesitylcyclopentasilane?","","","- C9 H11 Cl9 Si5 -","- C9 H11 Cl9 Si5 -","- C36 H44 Cl36 Si20 -","4","1","","Harald Stueger; Thomas Mitterfellner; Roland Fischer; Christoph Walkner; Matthias Patz; Stephan Wieber","Partial Halogenation of Cyclic and Branched Perhydropentasilanes","Inorganic Chemistry","2012","51","","6173","6179","10.1021/ic300214y","","","0.71073","MoKα","","0.0319","0.0282","","","0.0799","0.0815","","","","","","1.051","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329337","9.2711","0.0003","11.4701","0.0004","13.3919","0.0005","66.415","0.001","84.353","0.001","84.666","0.001","1296.56","0.08","102","2","102","2","","","","","","","","4","P -1","-P 1","2","(4-t-Butyl-2,6-dimethylphenyl)nonachloro-cyclopentasilane","","","- C12 H17 Cl9 Si5 -","- C12 H17 Cl9 Si5 -","- C24 H34 Cl18 Si10 -","2","1","","Harald Stueger; Thomas Mitterfellner; Roland Fischer; Christoph Walkner; Matthias Patz; Stephan Wieber","Partial Halogenation of Cyclic and Branched Perhydropentasilanes","Inorganic Chemistry","2012","51","","6173","6179","10.1021/ic300214y","","","0.71073","MoKα","","0.0249","0.0224","","","0.0568","0.0584","","","","","","1.124","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329338","8.2524","0.0012","20.189","0.002","11.2555","0.0017","90","","90","","90","","1875.3","0.4","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3-methyl-4H-1,2,4-triazol-4-yl)benzoic acid","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C80 H72 N24 O16 -","8","1","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0427","0.0341","","","0.0889","0.0914","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329339","10.6417","0.0008","21.0934","0.0019","17.095","0.002","90","","90","","90","","3837.3","0.6","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3-methyl-4H-1,2,4-triazol-4-yl)benzoic acid","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C160 H144 N48 O32 -","16","2","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0576","0.0377","","","0.0889","0.0937","","","","","","0.887","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329340","11.0109","0.0012","15.999","0.002","15.6693","0.0018","90","","90","","90","","2760.4","0.6","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3-Methyl-5-(pyridin-3-yl)-1,2,4-triazol-4-yl)benzoic acid","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C120 H96 N32 O16 -","8","1","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0498","0.0391","","","0.103","0.1085","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329341","18.969","0.002","7.1796","0.0005","15.9877","0.0017","90","","93.636","0.009","90","","2173","0.4","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H24 Cd N6 O8 -","- C20 H24 Cd N6 O8 -","- C80 H96 Cd4 N24 O32 -","4","0.5","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0444","0.0432","","","0.1167","0.1178","","","","","","1.075","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329342","18.995","0.002","30.063","0.003","7.0904","0.0006","90","","90","","90","","4048.9","0.7","180","2","180","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H16 Cd N6 O4 -","- C20 H16 Cd N6 O4 -","- C160 H128 Cd8 N48 O32 -","8","0.5","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0494","0.0478","","","0.128","0.1289","","","","","","1.093","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329343","7.7924","0.0013","9.3571","0.0017","11.695","0.002","77.412","0.014","71.001","0.013","73.416","0.013","765.4","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cd N8 O7 -","- C30 H26 Cd N8 O7 -","- C30 H26 Cd N8 O7 -","1","0.5","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0352","0.0309","","","0.0788","0.0818","","","","","","1.066","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329344","7.4","0.0012","14.615","0.003","14.175","0.003","90","","99.541","0.014","90","","1511.8","0.5","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H22 Cd N8 O4 -","- C30 H22 Cd N8 O4 -","- C60 H44 Cd2 N16 O8 -","2","1","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0753","0.0467","","","0.1098","0.1349","","","","","","0.896","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329345","14.5956","0.0016","14.5956","0.0016","12.8842","0.0014","90","","90","","90","","2744.7","0.5","213","2","213","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C20 H20.25 N6 O6.125 Zn -","- C20 H16 N6 O6.125 Zn -","- C80 H64 N24 O24.5 Zn4 -","4","0.5","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0782","0.0541","","","0.1426","0.1582","","","","","","0.901","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329346","6.6474","0.0009","19.167","0.002","15.366","0.003","90","","98.544","0.012","90","","1936.1","0.5","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 N6 O4 Zn -","- C20 H16 N6 O4 Zn -","- C80 H64 N24 O16 Zn4 -","4","1","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0293","0.028","","","0.071","0.0718","","","","","","1.07","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329347","8.7692","0.0004","12.2019","0.0008","12.5343","0.0009","70.921","0.003","70.309","0.003","74.557","0.003","1174.87","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 O6 Ru -","- C24 H27 N2 O6 Ru -","- C48 H54 N4 O12 Ru2 -","2","1","","Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim","Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S","Inorganic Chemistry","2012","51","","6237","6244","10.1021/ic300439h","","","0.71073","MoKα","","0.1247","0.071","","","0.1165","0.1356","","","","","","1.096","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329348","12.957","0.0006","16.4648","0.0007","16.8146","0.0007","90","","101.689","0.002","90","","3512.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 F6 N6 O P Ru -","- C33 H26 F6 N6 O P Ru -","- C132 H104 F24 N24 O4 P4 Ru4 -","4","1","","Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim","Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S","Inorganic Chemistry","2012","51","","6237","6244","10.1021/ic300439h","","","0.71073","MoKα","","0.04","0.0301","","","0.076","0.0797","","","","","","1.056","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329349","16.4704","0.0005","14.3426","0.0005","9.4783","0.0003","90","","97.306","0.001","90","","2220.86","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O4 Ru S -","- C23 H24 N2 O4 Ru S -","- C92 H96 N8 O16 Ru4 S4 -","4","1","","Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim","Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S","Inorganic Chemistry","2012","51","","6237","6244","10.1021/ic300439h","","","0.71073","MoKα","","0.0262","0.023","","","0.0586","0.0602","","","","","","1.045","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329350","10.5702","0.0019","8.8205","0.0015","33.47","0.006","90","","98.853","0.004","90","","3083.4","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 F6 N6 P Ru S -","- C33 H26 F6 N6 P Ru S -","- C132 H104 F24 N24 P4 Ru4 S4 -","4","1","","Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim","Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S","Inorganic Chemistry","2012","51","","6237","6244","10.1021/ic300439h","","","0.71073","MoKα","","0.116","0.0626","","","0.1106","0.1378","","","","","","1.134","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329351","17.5049","0.0007","7.9089","0.0003","17.6023","0.0007","90","","106.705","0.002","90","","2334.1","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 S2 -","- C26 H22 N4 S2 -","- C104 H88 N16 S8 -","4","1","","Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim","Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S","Inorganic Chemistry","2012","51","","6237","6244","10.1021/ic300439h","","","0.71073","MoKα","","0.0691","0.051","","","0.1416","0.1488","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329352","7.9703","0.0004","7.9703","0.0004","12.077","0.001","90","","90","","90","","767.2","0.08","","","25","","","","","","","","","4","P -4 2 m","P -4 2","111","","","sitinakite","- Nb2.4 O32.524 Si4 Ti5.6 -","- Nb0.6 O8.131 Si Sr0.0308 Ti1.4 -","- Nb2.4 O32.524 Si4 Sr0.1232 Ti5.6 -","4","0.5","","Samantha Kramer; Aaron J. Celestian","Effects of Hydration during Strontium Exchange into Nanoporous Hydrogen Niobium Titanium Silicate","Inorganic Chemistry","2012","51","","6251","6258","10.1021/ic300463w","powder diffraction","x-ray","0.3184","Monochromatic","","","","","","","","","","1.76","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329353","7.9712","0.0004","7.9712","0.0004","12.063","0.001","90","","90","","90","","766.48","0.08","","","25","","","","","","","","","5","P -4 2 m","P -4 2","111","","","sitinakite-Sr","- Nb2.4 O33.098 Si4 Sr0.717 Ti5.6 -","- Nb0.6 O8.2744 Si Sr0.1793 Ti1.4 -","- Nb2.4 O33.0976 Si4 Sr0.7172 Ti5.6 -","4","0.5","","Samantha Kramer; Aaron J. Celestian","Effects of Hydration during Strontium Exchange into Nanoporous Hydrogen Niobium Titanium Silicate","Inorganic Chemistry","2012","51","","6251","6258","10.1021/ic300463w","powder diffraction","x-ray","0.3184","Monochromatic","","","","","","","","","","1.23","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329354","31.981","0.002","24.792","0.002","18.52","0.0017","90","","90.575","0.007","90","","14683","2","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(N-hexylaminocarbonylmethoxy) calix[4]arene","","- C76 H116 N4 O8 -","- C76 H116 N4 O8 -","- C608 H928 N32 O64 -","8","1","","Gordan Horvat; Vladimir Stilinović; Tomica Hrenar; Branko Kaitner; Leo Frkanec; Vladislav Tomišić","An Integrated Approach (Thermodynamic, Structural, and Computational) to the Study of Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative in Acetonitrile","Inorganic Chemistry","2012","51","","6264","6278","10.1021/ic300474s","","","0.71073","MoKα","","0.2762","0.1292","","","0.3294","0.367","","","","","","0.98","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329355","14.9313","0.0006","16.3464","0.0008","18.3108","0.0009","108.31","0.004","104.079","0.005","106.294","0.004","3793.6","0.4","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(N-hexylaminocarbonylmethoxy) calix[4]arene methanol solvate","","- C78 H124 N4 O10 -","- C78 H124 N4 O10 -","- C156 H248 N8 O20 -","2","1","","Gordan Horvat; Vladimir Stilinović; Tomica Hrenar; Branko Kaitner; Leo Frkanec; Vladislav Tomišić","An Integrated Approach (Thermodynamic, Structural, and Computational) to the Study of Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative in Acetonitrile","Inorganic Chemistry","2012","51","","6264","6278","10.1021/ic300474s","","","0.71073","MoKα","","0.1163","0.0511","","","0.1209","0.1304","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329356","11.675","0.0016","18.183","0.003","20.382","0.003","65.402","0.016","74.233","0.013","79.578","0.013","3774.8","1.1","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(N-hexylaminocarbonylmethoxy) calix[4]arene acetonitrile solvate monohydrate","","- C78 H121 N5 O9 -","- C78 H121 N5 O9 -","- C156 H242 N10 O18 -","2","1","","Gordan Horvat; Vladimir Stilinović; Tomica Hrenar; Branko Kaitner; Leo Frkanec; Vladislav Tomišić","An Integrated Approach (Thermodynamic, Structural, and Computational) to the Study of Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative in Acetonitrile","Inorganic Chemistry","2012","51","","6264","6278","10.1021/ic300474s","","","0.71073","MoKα","","0.2523","0.061","","","0.1051","0.1411","","","","","","0.623","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329357","15.141","0.0019","15.141","0.0019","17.627","0.003","90","","90","","90","","4041","1","100","1","100","1","","","","","","","","6","P 4/n :2","-P 4a","85","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(N-hexylaminocarbonylmethoxy) calix[4]arene-sodium perchlorate","","- C76 H116 Cl N4 Na O12 -","- C76 H116 Cl N4 Na O12 -","- C152 H232 Cl2 N8 Na2 O24 -","2","0.25","","Gordan Horvat; Vladimir Stilinović; Tomica Hrenar; Branko Kaitner; Leo Frkanec; Vladislav Tomišić","An Integrated Approach (Thermodynamic, Structural, and Computational) to the Study of Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative in Acetonitrile","Inorganic Chemistry","2012","51","","6264","6278","10.1021/ic300474s","","","0.71073","MoKα","","0.2964","0.1551","","","0.3989","0.4346","","","","","","1.125","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329358","13.1464","0.0004","16.8767","0.0006","22.1602","0.0008","98.404","0.003","90.787","0.003","106.426","0.003","4657.5","0.3","120","2","120","1","","","","","","","","5","P -1","-P 1","2","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(N-hexylaminocarbonylmethoxy) calix[4]arene-sodium 5,5-diethylbarbiturate acetonitrile, ethanol solvate trihydrete","","- C88 H142 N7 Na O15 -","- C88 H136 N7 Na O15 -","- C176 H272 N14 Na2 O30 -","2","1","","Gordan Horvat; Vladimir Stilinović; Tomica Hrenar; Branko Kaitner; Leo Frkanec; Vladislav Tomišić","An Integrated Approach (Thermodynamic, Structural, and Computational) to the Study of Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative in Acetonitrile","Inorganic Chemistry","2012","51","","6264","6278","10.1021/ic300474s","","","0.71073","MoKα","","0.1534","0.1054","","","0.302","0.3246","","","","","","1.094","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329359","11.352","0.002","15.584","0.003","10.6461","0.0019","90","","90","","90","","1883.4","0.6","90","0.1","90","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C16 H22 Cu N4 O7 -","- C16 H22.02 Cu N4 O7 -","- C64 H88.08 Cu4 N16 O28 -","4","1","","Eszter Boros; Jacqueline F. Cawthray; Cara L. Ferreira; Brian O. Patrick; Michael J. Adam; Chris Orvig","Evaluation of the H2dedpa Scaffold and its cRGDyK Conjugates for Labeling with 64Cu","Inorganic Chemistry","2012","51","","6279","6284","10.1021/ic300482x","","","0.71073","MoKα","","0.023","0.0215","","","0.052","0.0526","","","","","","1.068","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329360","26.907","0.002","26.907","0.002","28.712","0.004","90","","90","","120","","18002","3","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H81.3 Ni4 O23.3 S5 -","- C12 H18 Ni4 O18 S4 -","- C216 H324 Ni72 O324 S72 -","18","1","","Jia Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Magnetic Nanosized {MII24}-Wheel-Based (M = Co, Ni) Coordination Polymers","Inorganic Chemistry","2012","51","","5988","5990","10.1021/ic300487a","","","1.54178","CuKα","","0.1445","0.09","","","0.2218","0.29","","","","","","0.982","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329361","27.402","0.004","27.402","0.004","28.865","0.006","90","","90","","120","","18770","5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H50 Co4 O26 S6 -","- C14 H24 Co4 O18 S5 -","- C252 H432 Co72 O324 S90 -","18","1","","Jia Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Magnetic Nanosized {MII24}-Wheel-Based (M = Co, Ni) Coordination Polymers","Inorganic Chemistry","2012","51","","5988","5990","10.1021/ic300487a","","","0.71073","MoKα","","0.1602","0.0866","","","0.2072","0.2356","","","","","","1.013","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329362","20.6354","0.0005","25.5951","0.0007","37.2058","0.0008","77.092","0.001","86.177","0.001","88.683","0.001","19110.9","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H315 N7 O53 Ta12 -","- C120 H268 N7 O40.5 Ta12 -","- C480 H1072 N28 O162 Ta48 -","4","2","","Miki Matsumoto; Yoshiki Ozawa; Atsushi Yagasaki","Long Hydrogen-Bonded Rod of Molecular Oxide: A Hexatantalate Tetramer","Inorganic Chemistry","2012","51","","5991","5993","10.1021/ic3004883","","","0.71073","MoKα","","0.2019","0.0917","","","0.2244","0.2794","","","","","","1.024","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4329363","3.8349","0.0004","16.5754","0.0014","30.154","0.002","91.716","0.006","93.4","0.007","94.285","0.008","1906.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","2","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","1.54184","CuKα","","0.1126","0.0887","","","0.2468","0.2568","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329364","28.894","0.002","14.2731","0.0014","13.645","0.002","90","","100.055","0.01","90","","5540.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.2 H16.4 N2.4 Nd O8 -","- C20.2 H16.4 N2.4 Nd O8 -","- C161.6 H131.2 N19.2 Nd8 O64 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0771","0.0594","","","0.164","0.1768","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329365","28.2238","0.0008","15.1581","0.0005","13.5868","0.0005","90","","100.014","0.003","90","","5724.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 Nd O9 -","- C26 H22 N2 Nd O9 -","- C208 H176 N16 Nd8 O72 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0523","0.0406","","","0.1128","0.118","","","","","","1.088","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329366","28.6181","0.0018","14.4649","0.001","12.8273","0.001","90","","103.661","0.007","90","","5159.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N Nd O8 -","- C22 H20 N Nd O8 -","- C176 H160 N8 Nd8 O64 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0633","0.0484","","","0.1403","0.1495","","","","","","1.08","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329367","28.9274","0.0017","13.8282","0.0007","13.1654","0.0011","90","","102.34","0.007","90","","5144.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 N5 Nd O7 -","- C18 H10 N5 Nd O7 -","- C144 H80 N40 Nd8 O56 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","1.5418","CuKα","","0.0513","0.0404","","","0.1067","0.1123","","","","","","1.119","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329368","28.5413","0.0007","14.9992","0.0004","13.2796","0.0005","90","","100.32","0.003","90","","5593","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17.3 H10.6 N Nd O8 S0.65 -","- C17.3 H10.6 N Nd O8 S0.65 -","- C138.4 H84.8 N8 Nd8 O64 S5.2 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0573","0.044","","","0.1378","0.1477","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329369","28.5336","0.0016","14.7711","0.0008","13.6945","0.0009","90","","98.997","0.007","90","","5700.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 Cl N4 Nd2 O15 -","- C35 H19 Cl N4 Nd2 O15 -","- C140 H76 Cl4 N16 Nd8 O60 -","4","0.5","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0752","0.0576","","","0.1634","0.1736","","","","","","1.087","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329370","28.6605","0.0011","14.8265","0.0009","12.6284","0.0009","90","","103.357","0.005","90","","5221.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N Nd O8 -","- C20 H18 N Nd O8 -","- C160 H144 N8 Nd8 O64 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.062","0.0475","","","0.135","0.1435","","","","","","1.018","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329371","28.618","0.0012","14.0687","0.0006","13.2796","0.0007","90","","102.717","0.005","90","","5215.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 N5 Nd O6 -","- C22 H14 N5 Nd O6 -","- C176 H112 N40 Nd8 O48 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0611","0.0476","","","0.1285","0.1358","","","","","","1.102","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329372","29.8458","0.001","12.5843","0.0005","14.118","0.0005","90","","95.627","0.003","90","","5277","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N7 Nd O8 -","- C21 H12 N7 Nd O8 -","- C168 H96 N56 Nd8 O64 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0551","0.0454","","","0.1292","0.1365","","","","","","1.084","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329373","28.483","0.003","14.5232","0.0012","12.3002","0.0015","90","","106.765","0.011","90","","4871.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N Nd O9 -","- C17 H11 N Nd O9 -","- C136 H88 N8 Nd8 O72 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","1.5418","CuKα","","0.0749","0.0578","","","0.1548","0.1664","","","","","","1.058","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329374","29.1676","0.00011","14.4488","0.0006","13.0926","0.0005","90","","98.748","0.004","90","","5453.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N Nd O10 S2 -","- C22 H20 N Nd O10 S2 -","- C176 H160 N8 Nd8 O80 S16 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0698","0.0531","","","0.1423","0.1531","","","","","","1.023","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329375","29.0425","0.001","13.7951","0.0006","13.0814","0.0006","90","","100.785","0.004","90","","5148.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N3 Nd O7 -","- C21 H14 N3 Nd O7 -","- C168 H112 N24 Nd8 O56 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0688","0.0531","","","0.1472","0.1539","","","","","","1.065","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329376","13.6824","0.0013","15.0012","0.0018","15.649","0.0014","95.751","0.009","113.163","0.009","90.493","0.009","2934.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H41 N7 Nd2 O14 -","- C57 H41 N7 Nd2 O14 -","- C114 H82 N14 Nd4 O28 -","2","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0743","0.05","","","0.1175","0.1276","","","","","","0.998","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329377","28.832","0.0018","14.3769","0.001","13.2474","0.001","90","","100.622","0.007","90","","5397.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N Nd O9 -","- C24 H24 N Nd O9 -","- C192 H192 N8 Nd8 O72 -","8","1","","Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos","Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange","Inorganic Chemistry","2012","51","","6308","6314","10.1021/ic3005085","","","0.71073","MoKα","","0.0608","0.0448","","","0.118","0.1255","","","","","","1.096","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329378","12.8193","0.001","6.9031","0.0005","9.5759","0.0007","90","","105.982","0.003","90","","814.65","0.11","93","2","93","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-2,3-dimethylpyrazinodichlorocoppyer(II)","","- C6 H8 Cl2 Cu N2 -","- C6 H8 Cl2 Cu N2 -","- C24 H32 Cl8 Cu4 N8 -","4","0.5","","Joaquim Jornet-Somoza; Núria Codina-Castillo; Mercè Deumal; Fernando Mota; Juan J. Novoa; Robert T. Butcher; Mark M. Turnbull; Brian Keith; Christopher P. Landee; Jan L. Wikaira","Synthesis, Structure, Magnetic Behavior, and Theoretical Analysis of Diazine-Bridged Magnetic Ladders: Cu(quinoxoline)X2 and Cu(2,3-dimethylpyrazine)X2 (X = Cl, Br)","Inorganic Chemistry","2012","51","","6315","6325","10.1021/ic3005147","","","0.71073","MoKα","","0.026","0.0259","","","0.0709","0.0709","","","","","","1.214","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329379","13.1229","0.0004","6.9476","0.0002","9.7058","0.0003","90","","107.467","0.002","90","","844.1","0.04","113","2","113","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-quinoxalinodichlorocopper(II)","","- C8 H6 Cl2 Cu N2 -","- C8 H6 Cl2 Cu N2 -","- C32 H24 Cl8 Cu4 N8 -","4","0.5","","Joaquim Jornet-Somoza; Núria Codina-Castillo; Mercè Deumal; Fernando Mota; Juan J. Novoa; Robert T. Butcher; Mark M. Turnbull; Brian Keith; Christopher P. Landee; Jan L. Wikaira","Synthesis, Structure, Magnetic Behavior, and Theoretical Analysis of Diazine-Bridged Magnetic Ladders: Cu(quinoxoline)X2 and Cu(2,3-dimethylpyrazine)X2 (X = Cl, Br)","Inorganic Chemistry","2012","51","","6315","6325","10.1021/ic3005147","","","0.71073","MoKα","","0.0195","0.0187","","","0.0531","0.0537","","","","","","1.11","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329380","13.1018","0.0003","6.9535","0.0001","10.324","0.0007","90","","107.547","0.008","90","","896.79","0.08","138","2","138","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-quinoxalinodibromocopper(II)","","- C8 H6 Br2 Cu N2 -","- C8 H6 Br2 Cu N2 -","- C32 H24 Br8 Cu4 N8 -","4","0.5","","Joaquim Jornet-Somoza; Núria Codina-Castillo; Mercè Deumal; Fernando Mota; Juan J. Novoa; Robert T. Butcher; Mark M. Turnbull; Brian Keith; Christopher P. Landee; Jan L. Wikaira","Synthesis, Structure, Magnetic Behavior, and Theoretical Analysis of Diazine-Bridged Magnetic Ladders: Cu(quinoxoline)X2 and Cu(2,3-dimethylpyrazine)X2 (X = Cl, Br)","Inorganic Chemistry","2012","51","","6315","6325","10.1021/ic3005147","","","1.54178","CuKα","","0.0685","0.0613","","","0.1592","0.2062","","","","","","1.132","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329381","9.22","0.0002","9.22","0.0002","5.3976","0.0002","90","","90","","90","","458.84","0.02","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Cu6.07 In5.93 Yb -","- Cu6.08 In5.92 Yb -","- Cu12.16 In11.84 Yb2 -","2","0.0625","","Udumula Subbarao; Sebastian C. Peter","Crystal Structure of YbCu6In6 and Mixed Valence Behavior of Yb in YbCu6-xIn6+x (x= 0, 1, and 2) Solid Solution","Inorganic Chemistry","2012","51","","6326","6332","10.1021/ic300552w","","","0.71073","MoKα","","0.0415","0.0415","","","0.0998","0.0998","","","","","","1.114","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329382","31.6887","0.0018","22.8539","0.0018","25.144","0.0017","90","","104.709","0.002","90","","17613","2","185","2","185","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C252 H292 Cl4 Dy24 N36 O124 -","- C252 H264 Cl4 Dy24.04 N36 O124 -","- C504 H528 Cl8 Dy48.08 N72 O248 -","2","0.25","","Lang Zhao; Shufang Xue; Jinkui Tang","A Dodecanuclear Dysprosium Wheel Assembled by Six Vertex-Sharing Dy3 Triangles Exhibiting Slow Magnetic Relaxation","Inorganic Chemistry","2012","51","","5994","5996","10.1021/ic3005807","","","0.71073","MoKα","","0.0997","0.0744","","","0.217","0.2351","","","","","","1.119","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4329383","31.392","0.003","22.734","0.002","25.482","0.002","90","","105.326","0.002","90","","17539","3","191","2","191","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C252 H292 Cl4 Ho24 N36 O124 -","- C252 H272 Cl4 Ho24 N36 O124 -","- C504 H544 Cl8 Ho48 N72 O248 -","2","0.25","","Lang Zhao; Shufang Xue; Jinkui Tang","A Dodecanuclear Dysprosium Wheel Assembled by Six Vertex-Sharing Dy3 Triangles Exhibiting Slow Magnetic Relaxation","Inorganic Chemistry","2012","51","","5994","5996","10.1021/ic3005807","","","0.71073","MoKα","","0.155","0.0815","","","0.2348","0.3017","","","","","","1.02","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329384","5.445","0.0001","11.4384","0.0003","10.0709","0.0003","90","","104.629","0.002","90","","606.9","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H21 Cl N2 O -","- C10 H21 Cl N2 O -","- C20 H42 Cl2 N4 O2 -","2","1","","David Pugh; Peter Marchand; Ivan P. Parkin; Claire J. Carmalt","Group 13 β-Ketoiminate Compounds: Gallium Hydride Derivatives As Molecular Precursors to Thin Films of Ga2O3","Inorganic Chemistry","2012","51","","6385","6395","10.1021/ic3006794","","","0.71073","MoKα","","0.0888","0.0874","","","0.2442","0.2449","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329385","8.2191","0.0001","9.4727","0.0002","14.0874","0.0002","73.982","0.001","75.889","0.001","86.436","0.001","1022.39","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cl2 In2 N6 O6 -","- C36 H56 Cl2 In2 N6 O6 -","- C36 H56 Cl2 In2 N6 O6 -","1","0.5","","David Pugh; Peter Marchand; Ivan P. Parkin; Claire J. Carmalt","Group 13 β-Ketoiminate Compounds: Gallium Hydride Derivatives As Molecular Precursors to Thin Films of Ga2O3","Inorganic Chemistry","2012","51","","6385","6395","10.1021/ic3006794","","","0.71073","MoKα","","0.0254","0.0225","","","0.0517","0.0531","","","","","","1.054","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329386","8.0171","0.0003","14.7596","0.0005","17.1126","0.0005","90","","114.806","0.002","90","","1838.09","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl In N2 O3 -","- C16 H26 Cl In N2 O3 -","- C64 H104 Cl4 In4 N8 O12 -","4","1","","David Pugh; Peter Marchand; Ivan P. Parkin; Claire J. Carmalt","Group 13 β-Ketoiminate Compounds: Gallium Hydride Derivatives As Molecular Precursors to Thin Films of Ga2O3","Inorganic Chemistry","2012","51","","6385","6395","10.1021/ic3006794","","","0.71073","MoKα","","0.0421","0.032","","","0.0601","0.0651","","","","","","1.124","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329387","7.4177","0.0009","8.6862","0.0011","12.4715","0.0015","72.534","0.002","75.996","0.002","77.103","0.002","733.82","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 Cl Ga N2 O2 -","- C13 H20 Cl Ga N2 O2 -","- C26 H40 Cl2 Ga2 N4 O4 -","2","1","","David Pugh; Peter Marchand; Ivan P. Parkin; Claire J. Carmalt","Group 13 β-Ketoiminate Compounds: Gallium Hydride Derivatives As Molecular Precursors to Thin Films of Ga2O3","Inorganic Chemistry","2012","51","","6385","6395","10.1021/ic3006794","","","0.71073","MoKα","","0.0235","0.0219","","","0.0566","0.0576","","","","","","1.082","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329388","8.8098","0.0008","12.6328","0.0011","14.7568","0.0013","94.327","0.001","95.448","0.001","110.058","0.001","1525.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 Cl In N2 O2 -","- C13 H20 Cl In N2 O2 -","- C52 H80 Cl4 In4 N8 O8 -","4","2","","David Pugh; Peter Marchand; Ivan P. Parkin; Claire J. Carmalt","Group 13 β-Ketoiminate Compounds: Gallium Hydride Derivatives As Molecular Precursors to Thin Films of Ga2O3","Inorganic Chemistry","2012","51","","6385","6395","10.1021/ic3006794","","","0.71073","MoKα","","0.0275","0.0235","","","0.0624","0.0644","","","","","","1.054","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329389","10.4005","0.001","9.209","0.0007","23.2616","0.0018","90","","100.273","0.008","90","","2192.2","0.3","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Co N3 O4 -","- C24 H31 Co N3 O4 -","- C96 H124 Co4 N12 O16 -","4","1","","Verónica Gómez; Laure Vendier; Montserrat Corbella; Jean- Pierre Costes","Tetranuclear [Co-Gd]2 Complexes: Aiming at a Better Understanding of the 3d-Gd Magnetic Interaction","Inorganic Chemistry","2012","51","","6396","6404","10.1021/ic300711h","","x-ray","0.71073","MoKα","","0.2185","0.1857","","","0.4127","0.4285","","","","","","1.224","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329390","12.7513","0.0002","15.7355","0.0002","17.8631","0.0003","90","","104.231","0.002","90","","3474.21","0.1","180","2","180","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Co2 F12 Gd2 N6 O16 -","- C62 H68 Co2 F12 Gd2 N6 O16 -","- C124 H136 Co4 F24 Gd4 N12 O32 -","2","0.5","","Verónica Gómez; Laure Vendier; Montserrat Corbella; Jean- Pierre Costes","Tetranuclear [Co-Gd]2 Complexes: Aiming at a Better Understanding of the 3d-Gd Magnetic Interaction","Inorganic Chemistry","2012","51","","6396","6404","10.1021/ic300711h","","x-ray","0.71073","MoKα","","0.0432","0.0278","","","0.0619","0.0644","","","","","","0.941","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329391","14.8669","0.0002","13.8521","0.0002","18.595","0.003","90","","104.405","0.002","90","","3709","0.6","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 Co2 Gd2 N4 O20 -","- C68 H96 Co2 Gd2 N4 O20 -","- C136 H192 Co4 Gd4 N8 O40 -","2","0.5","","Verónica Gómez; Laure Vendier; Montserrat Corbella; Jean- Pierre Costes","Tetranuclear [Co-Gd]2 Complexes: Aiming at a Better Understanding of the 3d-Gd Magnetic Interaction","Inorganic Chemistry","2012","51","","6396","6404","10.1021/ic300711h","","x-ray","0.71073","MoKα","","0.0297","0.0204","","","0.0469","0.048","","","","","","0.928","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329392","11.1324","0.0002","18.2639","0.0003","25.9839","0.0004","90","","100.01","0.0006","90","","5202.65","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H15 Fe2 O5 P S4 -","- C84 H15 Fe2 O5 P S4 -","- C336 H60 Fe8 O20 P4 S16 -","4","1","","Yu-Chiao Liu; Tao-Hung Yen; Yu-Jan Tseng; Ching-Han Hu; Gene-Hsiang Lee; Ming-Hsi Chiang","Electron Delocalization from the Fullerene Attachment to the Diiron Core within the Active-Site Mimics of [FeFe]Hydrogenase","Inorganic Chemistry","2012","51","","5997","5999","10.1021/ic3007298","","","0.71073","MoKα","","0.0735","0.0468","","","0.1291","0.1407","","","","","","1.055","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329393","10.6019","0.0006","12.1058","0.0007","13.0037","0.0007","64.5114","0.001","66.7002","0.0011","68.1529","0.0011","1341.99","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H19 Fe2 O5 P S2 -","- C29 H19 Fe2 O5 P S2 -","- C58 H38 Fe4 O10 P2 S4 -","2","1","","Yu-Chiao Liu; Tao-Hung Yen; Yu-Jan Tseng; Ching-Han Hu; Gene-Hsiang Lee; Ming-Hsi Chiang","Electron Delocalization from the Fullerene Attachment to the Diiron Core within the Active-Site Mimics of [FeFe]Hydrogenase","Inorganic Chemistry","2012","51","","5997","5999","10.1021/ic3007298","","","0.71073","MoKα","","0.0338","0.0296","","","0.0695","0.0718","","","","","","1.028","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329394","10.3","0.005","11.185","0.005","17.38","0.005","87.88","0.005","79.55","0.005","77.144","0.005","1919.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H33 Mo N4 O3 -","- C51 H33 Mo N4 O3 -","- C102 H66 Mo2 N8 O6 -","2","1","","Goutam Nandi; Sabyasachi Sarkar","Solid-State Synthesis of Molybdenum and Tungsten Porphyrins and Aerial Oxidation of Coordinated Benzenethiolate to Benzenesulfonate","Inorganic Chemistry","2012","51","","6412","6420","10.1021/ic3008377","","","0.71069","MoKα","","0.1186","0.0805","","","0.1901","0.249","","","","","","1.114","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329395","10.341","0.005","11.124","0.005","17.438","0.005","87.777","0.005","79.837","0.005","77.322","0.005","1926.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H33 N4 O3 W -","- C51 H33 N4 O3 W -","- C102 H66 N8 O6 W2 -","2","1","","Goutam Nandi; Sabyasachi Sarkar","Solid-State Synthesis of Molybdenum and Tungsten Porphyrins and Aerial Oxidation of Coordinated Benzenethiolate to Benzenesulfonate","Inorganic Chemistry","2012","51","","6412","6420","10.1021/ic3008377","","","0.71069","MoKα","","0.0712","0.0588","","","0.1545","0.1805","","","","","","1.163","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329396","13.328","0.005","13.328","0.005","9.624","0.005","90","0.005","90","0.005","90","0.005","1709.6","1.3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H28 Mo N4 O -","- C44 H28 Mo N4 O -","- C88 H56 Mo2 N8 O2 -","2","0.125","","Goutam Nandi; Sabyasachi Sarkar","Solid-State Synthesis of Molybdenum and Tungsten Porphyrins and Aerial Oxidation of Coordinated Benzenethiolate to Benzenesulfonate","Inorganic Chemistry","2012","51","","6412","6420","10.1021/ic3008377","","","0.71073","MoKα","","0.0613","0.06","","","0.1421","0.1428","","","","","","1.424","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329397","13.516","0.005","12.576","0.005","23.98","0.005","90","0.005","103.875","0.005","90","0.005","3957","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H33 Mo N4 O4 S -","- C50 H33 Mo N4 O4 S -","- C200 H132 Mo4 N16 O16 S4 -","4","1","","Goutam Nandi; Sabyasachi Sarkar","Solid-State Synthesis of Molybdenum and Tungsten Porphyrins and Aerial Oxidation of Coordinated Benzenethiolate to Benzenesulfonate","Inorganic Chemistry","2012","51","","6412","6420","10.1021/ic3008377","","","0.71069","MoKα","","0.1137","0.0702","","","0.1674","0.2158","","","","","","1.031","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329398","21.8381","0.0012","11.042","0.0006","10.771","0.0006","90","","117.704","0.003","90","","2299.5","0.2","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H44 B4 Ba N2 O2 -","- C12 H44 B4 Ba N2 O2 -","- C48 H176 B16 Ba4 N8 O8 -","4","0.5","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0462","0.0325","","","0.0741","0.0792","","","","","","1.031","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329399","10.384","0.003","17.411","0.005","10.679","0.003","90","","104.108","0.004","90","","1872.5","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H34 B4 Ba N2 O2 -","- C8 H34 B4 Ba N2 O2 -","- C32 H136 B16 Ba4 N8 O8 -","4","1","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0231","0.0155","","","0.03","0.0304","","","","","","0.891","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329400","21.1428","0.0005","10.3259","0.0002","10.6711","0.0002","90","","116.4","0.001","90","","2086.74","0.08","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H40 B4 Ba N4 -","- C10 H40 B4 Ba N4 -","- C40 H160 B16 Ba4 N16 -","4","0.5","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0276","0.0206","","","0.0298","0.0307","","","","","","0.88","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329401","11.8304","0.0004","16.8151","0.0006","16.8646","0.0006","71.134","0.002","83.495","0.002","87.735","0.002","3154.2","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H52 B4 Ba N2 O6 -","- C20 H56 B4 Ba N2 O6 -","- C80 H224 B16 Ba4 N8 O24 -","4","2","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.1103","0.0433","","","0.0633","0.0751","","","","","","0.789","","","","has coordinates,has disorder","189193","2020-10-21","18:00:00",""
"4329402","10.1886","0.0008","24.5226","0.0017","14.6894","0.001","90","","90","","90","","3670.2","0.5","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H64 B4 Ba N2 O8 -","- C24 H64 B4 Ba N2 O8 -","- C96 H256 B16 Ba4 N8 O32 -","4","0.5","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0945","0.0455","","","0.1225","0.1448","","","","","","1.047","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329403","9.555","0.003","12.341","0.004","12.448","0.004","64.618","0.004","81.444","0.005","71.243","0.005","1255.6","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H96 B8 Ba2 N8 -","- C28 H96 B8 Ba2 N8 -","- C28 H96 B8 Ba2 N8 -","1","0.5","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0471","0.0375","","","0.0859","0.0889","","","","","","0.997","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329404","9.544","0.003","18.799","0.006","14.61","0.005","90","","95.937","0.006","90","","2607.2","1.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H47 B4 Ba N5 -","- C13 H47 B4 Ba N5 -","- C52 H188 B16 Ba4 N20 -","4","1","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0808","0.0369","","","0.0741","0.0782","","","","","","0.751","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329405","9.147","0.003","17.141","0.005","18.377","0.005","90","","90.453","0.004","90","","2881.2","1.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 B4 Ba N2 O6 -","- C16 H52 B4 Ba N2 O6 -","- C64 H208 B16 Ba4 N8 O24 -","4","1","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.041","0.0228","","","0.0428","0.0442","","","","","","0.847","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329406","9.6288","0.0006","10.7092","0.0007","17.7185","0.0013","90","","92.031","0.003","90","","1825.9","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H64 B4 Ba N2 O10 -","- C24 H64 B4 Ba N2 O10 -","- C48 H128 B8 Ba2 N4 O20 -","2","0.5","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0594","0.0458","","","0.1232","0.1344","","","","","","1.023","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329407","12.7","0.0007","21.3688","0.0011","21.5299","0.0011","60.409","0.002","89.888","0.003","72.825","0.003","4780.9","0.5","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H84 B6 Ba N3 Na O10 -","- C30 H84 B6 Ba N3 Na O10 -","- C120 H336 B24 Ba4 N12 Na4 O40 -","4","2","","Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami","Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates","Inorganic Chemistry","2012","51","","6449","6459","10.1021/ic2016879","","","0.71073","MoKα","","0.0866","0.0468","","","0.1017","0.1123","","","","","","0.901","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329408","10.3506","0.0004","22.6651","0.0009","10.7047","0.0003","90","","102.582","0.002","90","","2450.99","0.15","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Methylthiophenoxy-boronsubphthalocyanine","","","- C31 H19 B N6 S -","- C31 H19 B N6 S -","- C124 H76 B4 N24 S4 -","4","1","","Graham E. Morse; Timothy P. Bender","Aluminum Chloride Activation of Chloro-Boronsubphthalocyanine: a Rapid and Flexible Method for Axial Functionalization with an Expanded Set of Nucleophiles","Inorganic Chemistry","2012","51","","6460","6467","10.1021/ic2016935","","","0.71073","MoKα","","0.1004","0.0548","","","0.1312","0.1583","","","","","","1.019","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329409","11.512","0.0003","11.7673","0.0003","19.3022","0.0005","72.903","0.0014","81.881","0.0012","75.851","0.0013","2416.61","0.11","150","1","150","1","","","","","","","","5","P -1","-P 1","2","N-Phenyl-N-methyl-amino-boronsubphthalocyanine","","","- C31 H20.1 B N7 O0.05 -","- C31 H20.1 B N7 O0.05 -","- C124 H80.4 B4 N28 O0.2 -","4","2","","Graham E. Morse; Timothy P. Bender","Aluminum Chloride Activation of Chloro-Boronsubphthalocyanine: a Rapid and Flexible Method for Axial Functionalization with an Expanded Set of Nucleophiles","Inorganic Chemistry","2012","51","","6460","6467","10.1021/ic2016935","","","0.71073","MoKα","","0.1131","0.0578","","","0.1392","0.1638","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329410","8.8351","0.001","13.8215","0.0017","15.3083","0.0018","78.695","0.003","81.211","0.002","72.176","0.002","1736.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30.5 Cl2 N7.5 O4 Ru -","- C33 H30.5 Cl2 N7.5 O4 Ru -","- C66 H61 Cl4 N15 O8 Ru2 -","2","1","","Kwong-Chak Cheung; Peng Guo; Ming-Him So; Zhong-Yuan Zhou; Lawrence Yoon Suk Lee; Kwok-Yin Wong","Ruthenium Terpyridine Complexes Containing a Pyrrole-Tagged 2,2'-Dipyridylamine Ligand-Synthesis, Crystal Structure, and Electrochemistry","Inorganic Chemistry","2012","51","","6468","6475","10.1021/ic202459g","","","0.71073","MoKα","","0.0692","0.0501","","","0.1273","0.138","","","","","","0.999","","","","has coordinates","276347","2022-06-28","16:27:49",""
"4329411","9.7179","0.0006","15.944","0.0011","25.4223","0.0014","90","","95.029","0.002","90","","3923.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 F6 N7 O9 Ru S2 -","- C34 H35 F6 N7 O9 Ru S2 -","- C136 H140 F24 N28 O36 Ru4 S8 -","4","1","","Kwong-Chak Cheung; Peng Guo; Ming-Him So; Zhong-Yuan Zhou; Lawrence Yoon Suk Lee; Kwok-Yin Wong","Ruthenium Terpyridine Complexes Containing a Pyrrole-Tagged 2,2'-Dipyridylamine Ligand-Synthesis, Crystal Structure, and Electrochemistry","Inorganic Chemistry","2012","51","","6468","6475","10.1021/ic202459g","","","0.71073","MoKα","","0.1986","0.0798","","","0.1786","0.2276","","","","","","0.999","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329412","10.0931","0.0003","13.4287","0.0003","22.2764","0.0005","90","","95.8361","0.0007","90","","3003.63","0.13","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H65 Eu F9 N3 O8 -","- C61 H65 Eu F9 N3 O8 -","- C122 H130 Eu2 F18 N6 O16 -","2","1","","Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai","Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence","Inorganic Chemistry","2012","51","","6476","6485","10.1021/ic202467f","","","0.71075","MoKα","","","0.0313","","","","0.0746","","","","","","1.175","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329413","16.3485","0.0003","12.6514","0.0002","22.9499","0.0004","90","","99.71","0.0007","90","","4678.76","0.14","103.1","","103.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H50 Eu F9 N2 O6 -","- C48 H50 Eu F9 N2 O6 -","- C192 H200 Eu4 F36 N8 O24 -","4","2","","Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai","Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence","Inorganic Chemistry","2012","51","","6476","6485","10.1021/ic202467f","","","0.71075","MoKα","","","0.023","","","","0.0556","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329414","21.3203","0.0004","23.1025","0.0004","22.3797","0.0004","90","","90.2315","0.0007","90","","11023.1","0.3","103.1","","103.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H65 Eu F9 N3 O8 -","- C53 H65 Eu F9 N3 O8 -","- C424 H520 Eu8 F72 N24 O64 -","8","4","","Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai","Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence","Inorganic Chemistry","2012","51","","6476","6485","10.1021/ic202467f","","","0.71075","MoKα","","","0.0229","","","","0.057","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329415","20.0635","0.0004","23.0466","0.0004","36.3584","0.0007","90","","90","","90","","16812","0.5","103.1","","103.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H65 Eu F9 N3 O8 -","- C53 H65 Eu F9 N3 O8 -","- C636 H780 Eu12 F108 N36 O96 -","12","3","","Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai","Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence","Inorganic Chemistry","2012","51","","6476","6485","10.1021/ic202467f","","","0.71075","MoKα","","","0.0255","","","","0.0632","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329416","10.4595","0.0001","10.4595","0.0001","7.7769","0.0001","90","","90","","90","","850.802","0.016","173","2","173","","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H8 Er N8 O4 W -","- C8 H8 Er N8 O4 W -","- C16 H16 Er2 N16 O8 W2 -","2","0.125","","Marine Perrier; Jêrôme Long; Filipe A. Almeida Paz; Yannick Guari; Joulia Larionova","Peculiar Field-Dependent Magnetic Behavior of Cyano-Bridged Coordination Polymer Er(H2O)4[W(CN)8]","Inorganic Chemistry","2012","51","","6425","6427","10.1021/ic2024988","","","0.7107","MoKα","","0.0209","0.0202","","","0.053","0.0533","","","","","","1.145","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329417","10.4655","0.0001","10.4655","0.0001","7.7599","0.0001","90","","90","","90","","849.916","0.016","173","2","173","","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H8 Er Mo N8 O4 -","- C8 H8 Er Mo N8 O4 -","- C16 H16 Er2 Mo2 N16 O8 -","2","0.125","","Marine Perrier; Jêrôme Long; Filipe A. Almeida Paz; Yannick Guari; Joulia Larionova","Peculiar Field-Dependent Magnetic Behavior of Cyano-Bridged Coordination Polymer Er(H2O)4[W(CN)8]","Inorganic Chemistry","2012","51","","6425","6427","10.1021/ic2024988","","","0.7107","MoKα","","0.0174","0.0168","","","0.042","0.0423","","","","","","1.183","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329418","18.023","0.004","18.952","0.004","12.389","0.003","90","","90.84","0.03","90","","4231.3","1.7","293","2","566","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 Cu N3 O8 -","- C47 H43 Cu N3 O8 -","- C188 H172 Cu4 N12 O32 -","4","1","","Dabin Shi; Yanwei Ren; Huanfeng Jiang; Bowei Cai; Jiaxian Lu","Synthesis, Structures, and Properties of Two Three-Dimensional Metal-Organic Frameworks, Based on Concurrent Ligand Extension","Inorganic Chemistry","2012","51","","6498","6506","10.1021/ic202624e","","","0.71073","MoKα","","0.1467","0.0868","","","0.2317","0.2755","","","","","","0.998","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329419","11.98","0.002","18.625","0.004","17.982","0.004","90","","90","","90","","4012.3","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C45 H39 N3 O9 Zn2 -","- C45 H39 N3 O9 Zn2 -","- C180 H156 N12 O36 Zn8 -","4","0.5","","Dabin Shi; Yanwei Ren; Huanfeng Jiang; Bowei Cai; Jiaxian Lu","Synthesis, Structures, and Properties of Two Three-Dimensional Metal-Organic Frameworks, Based on Concurrent Ligand Extension","Inorganic Chemistry","2012","51","","6498","6506","10.1021/ic202624e","","","0.71073","MoKα","","0.0567","0.0449","","","0.1325","0.1401","","","","","","1.091","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329420","12.6979","0.0007","17.3289","0.0011","21.788","0.0011","101.311","0.004","101.01","0.004","109.716","0.003","4250.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H72 N20 O10 S2 Zn4 -","- C94 H72 N20 O10 S2 Zn4 -","- C188 H144 N40 O20 S4 Zn8 -","2","1","","Lijuan Wan; Caishun Zhang; Yongheng Xing; Zhen Li; Na Xing; Liying Wan; Hui Shan","Neutral Mononuclear, Dinuclear, Tetranuclear d7/d10 Metal Complexes Containing bis-Pyrazole/Pyridine Ligands Supported by 2,6-bis(3-Pyrazolyl)Pyridine: Synthesis, Structure, Spectra, and Catalytic Activity","Inorganic Chemistry","2012","51","","6517","6528","10.1021/ic202678s","","","0.71073","MoKα","","0.1655","0.0594","","","0.1264","0.1497","","","","","","0.776","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329421","16.6277","0.0011","17.5615","0.0012","20.0031","0.0013","74.794","0.001","66.376","0.001","67.958","0.001","4917.1","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H90 Co4 N22 O16 S2 -","- C95 H81 Co4 N21 O14 S2 -","- C190 H162 Co8 N42 O28 S4 -","2","1","","Lijuan Wan; Caishun Zhang; Yongheng Xing; Zhen Li; Na Xing; Liying Wan; Hui Shan","Neutral Mononuclear, Dinuclear, Tetranuclear d7/d10 Metal Complexes Containing bis-Pyrazole/Pyridine Ligands Supported by 2,6-bis(3-Pyrazolyl)Pyridine: Synthesis, Structure, Spectra, and Catalytic Activity","Inorganic Chemistry","2012","51","","6517","6528","10.1021/ic202678s","","","0.71073","MoKα","","0.1874","0.0861","","","0.2431","0.2893","","","","","","0.967","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329422","14.802","0.003","15.162","0.003","18.087","0.004","85.68","0.03","85.54","0.03","83.82","0.03","4014.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H66 N20 O6 S Zn4 -","- C92 H66 N20 O6 S Zn4 -","- C184 H132 N40 O12 S2 Zn8 -","2","1","","Lijuan Wan; Caishun Zhang; Yongheng Xing; Zhen Li; Na Xing; Liying Wan; Hui Shan","Neutral Mononuclear, Dinuclear, Tetranuclear d7/d10 Metal Complexes Containing bis-Pyrazole/Pyridine Ligands Supported by 2,6-bis(3-Pyrazolyl)Pyridine: Synthesis, Structure, Spectra, and Catalytic Activity","Inorganic Chemistry","2012","51","","6517","6528","10.1021/ic202678s","","","0.71073","MoKα","","0.2164","0.095","","","0.1923","0.2369","","","","","","0.972","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329423","18.43","0.002","14.554","0.002","11.29","0.0017","90","","103.489","0.003","90","","2944.8","0.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N10 O6 S Zn2 -","- C26 H28 N10 O6 S Zn2 -","- C104 H112 N40 O24 S4 Zn8 -","4","0.5","","Lijuan Wan; Caishun Zhang; Yongheng Xing; Zhen Li; Na Xing; Liying Wan; Hui Shan","Neutral Mononuclear, Dinuclear, Tetranuclear d7/d10 Metal Complexes Containing bis-Pyrazole/Pyridine Ligands Supported by 2,6-bis(3-Pyrazolyl)Pyridine: Synthesis, Structure, Spectra, and Catalytic Activity","Inorganic Chemistry","2012","51","","6517","6528","10.1021/ic202678s","","","0.71073","MoKα","","0.044","0.0353","","","0.0938","0.0979","","","","","","1.105","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329424","13.18","0.003","6.9337","0.0014","19.744","0.004","90","","93.74","0.03","90","","1800.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18.74 N5 O6.87 S Zn -","- C13 H17 N5 O6.869 S Zn -","- C52 H68 N20 O27.476 S4 Zn4 -","4","1","","Lijuan Wan; Caishun Zhang; Yongheng Xing; Zhen Li; Na Xing; Liying Wan; Hui Shan","Neutral Mononuclear, Dinuclear, Tetranuclear d7/d10 Metal Complexes Containing bis-Pyrazole/Pyridine Ligands Supported by 2,6-bis(3-Pyrazolyl)Pyridine: Synthesis, Structure, Spectra, and Catalytic Activity","Inorganic Chemistry","2012","51","","6517","6528","10.1021/ic202678s","","","0.71073","MoKα","","0.0984","0.068","","","0.1806","0.2046","","","","","","1.07","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329425","17.2645","0.0008","7.7863","0.0002","20.6276","0.0014","90","","95.019","0.007","90","","2762.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 B Fe N6 O2 -","- C35 H21 B Fe N6 O2 -","- C140 H84 B4 Fe4 N24 O8 -","4","1","","Pavlo V. Solntsev; Katelynn L. Spurgin; Jared R. Sabin; Ahmed A. Heikal; Victor N. Nemykin","Photoinduced Charge Transfer in Short-Distance Ferrocenylsubphthalocyanine Dyads","Inorganic Chemistry","2012","51","","6537","6547","10.1021/ic3000608","","","1.54187","CuKα","","0.0811","0.0653","","","0.1808","0.2053","","","","","","1.088","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329426","12.1224","0.0002","14.8449","0.001","10.3283","0.0001","90","","90","","90","","1858.64","0.13","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","","Pavlo V. Solntsev; Katelynn L. Spurgin; Jared R. Sabin; Ahmed A. Heikal; Victor N. Nemykin","Photoinduced Charge Transfer in Short-Distance Ferrocenylsubphthalocyanine Dyads","Inorganic Chemistry","2012","51","","6537","6547","10.1021/ic3000608","","","1.54187","CuKα","","0.0852","0.0668","","","0.1872","0.2127","","","","","","1.156","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329427","28.61","0.005","11.197","0.005","18.146","0.005","90","","114.658","0.005","90","","5283","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H23 B Fe N6 O -","- C35 H23 B Fe N6 O -","- C280 H184 B8 Fe8 N48 O8 -","8","1","","Pavlo V. Solntsev; Katelynn L. Spurgin; Jared R. Sabin; Ahmed A. Heikal; Victor N. Nemykin","Photoinduced Charge Transfer in Short-Distance Ferrocenylsubphthalocyanine Dyads","Inorganic Chemistry","2012","51","","6537","6547","10.1021/ic3000608","","","0.71073","MoKα","","0.0704","0.0612","","","0.1553","0.1625","","","","","","1.047","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329428","10.7049","0.0002","11.8511","0.0002","12.6431","0.0002","90","","101.585","0.001","90","","1571.29","0.05","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cesium Uranium(VI) Phosphite","","","- Cs2 H3 O14 P3 U2 -","- Cs2 H3 O14 P3 U2 -","- Cs8 H12 O56 P12 U8 -","4","1","","Eric M. Villa; Connor J. Marr; Laurent J. Jouffret; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates","Inorganic Chemistry","2012","51","","6548","6558","10.1021/ic3000735","","","0.71073","MoKα","","0.0299","0.0236","","","0.05","0.0523","","","","","","1.087","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329429","11.1654","0.0002","11.3309","0.0002","12.1573","0.0002","90","","109.376","0.001","90","","1450.96","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rubidium Uranium(VI) Phosphite","","","- H3 O13 P3 Rb2 U2 -","- H3 O13 P3 Rb2 U2 -","- H12 O52 P12 Rb8 U8 -","4","1","","Eric M. Villa; Connor J. Marr; Laurent J. Jouffret; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates","Inorganic Chemistry","2012","51","","6548","6558","10.1021/ic3000735","","","0.71073","MoKα","","0.0535","0.0451","","","0.0961","0.0995","","","","","","1.135","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329430","7.9754","0.0011","10.5635","0.0015","10.6772","0.0015","94.147","0.003","95.88","0.003","90.411","0.004","892.4","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","Room Temp - Cesium Uranium(VI) Phosphite","","","- Cs2 H4 O16 P4 U2 -","- Cs2 H4 O16 P4 U2 -","- Cs4 H8 O32 P8 U4 -","2","1","","Eric M. Villa; Connor J. Marr; Laurent J. Jouffret; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates","Inorganic Chemistry","2012","51","","6548","6558","10.1021/ic3000735","","","0.71073","MoKα","","0.0395","0.0312","","","0.0669","0.0696","","","","","","1.038","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329431","6.8571","0.0003","11.119","0.0005","12.0391","0.0005","63.861","0.003","77.481","0.003","79.331","0.003","800.22","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Cesium Uranium(VI/IV) Phosphate-Phosphite","","","- Cs2 H2 O16 P4 U2 -","- Cs2 H2 O16 P4 U2 -","- Cs4 H4 O32 P8 U4 -","2","1","","Eric M. Villa; Connor J. Marr; Laurent J. Jouffret; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates","Inorganic Chemistry","2012","51","","6548","6558","10.1021/ic3000735","","","0.71073","MoKα","","0.059","0.0418","","","0.0899","0.0971","","","","","","1.067","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329432","25.7396","0.0008","5.5906","0.0002","7.6334","0.0002","90","","98.964","0.002","90","","1085.03","0.06","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Cesium Uranium(IV) Phosphate-Phosphite","","","- Cs2 H4 O20 P6 U3 -","- Cs2 H4 O20 P6 U3 -","- Cs4 H8 O40 P12 U6 -","2","0.25","","Eric M. Villa; Connor J. Marr; Laurent J. Jouffret; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates","Inorganic Chemistry","2012","51","","6548","6558","10.1021/ic3000735","","","0.71073","MoKα","","0.0271","0.0228","","","0.0501","0.0519","","","","","","1.062","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329433","16.2421","0.0005","10.5049","0.0003","11.0936","0.0004","90","","98.745","0.001","90","","1870.8","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rubidium Uranium(VI/IV) Phosphate-Phosphite","","","- H4 O19 P4 Rb2 U3 -","- H4 O19 P4 Rb2 U3 -","- H16 O76 P16 Rb8 U12 -","4","0.5","","Eric M. Villa; Connor J. Marr; Laurent J. Jouffret; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates","Inorganic Chemistry","2012","51","","6548","6558","10.1021/ic3000735","","","0.71073","MoKα","","0.032","0.0271","","","0.0669","0.0688","","","","","","1.058","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329434","7.7425","0.0007","5.6681","0.0005","9.1291","0.0007","90","","113.944","0.005","90","","366.16","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cesium Uranium(IV) Phosphate(Phosphite)","","","- Cs H0 O8 P2 U -","- Cs O8 P2 U -","- Cs2 O16 P4 U2 -","2","0.5","","Eric M. Villa; Connor J. Marr; Laurent J. Jouffret; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates","Inorganic Chemistry","2012","51","","6548","6558","10.1021/ic3000735","","","0.71073","MoKα","","0.02","0.0188","","","0.0446","0.045","","","","","","1.093","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329435","10.555","0.002","14.071","0.003","16.444","0.003","90","","90","","90","","2442.3","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Thioacetic acid S-anthracen-9-yl ester","","- C16 H12 O S -","- C16 H12 O S -","- C128 H96 O8 S8 -","8","1","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0625","0.0577","","","0.1374","0.1422","","","","","","1.149","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329436","8.28","0.0006","9.304","0.0007","16.8717","0.0013","103.204","0.001","96.846","0.001","102.158","0.001","1217.74","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Thioacetic acid S-anthracen-9-yl ester","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","2","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.04","0.0351","","","0.0903","0.0948","","","","","","1.04","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329437","25.5463","0.0012","6.9794","0.0003","17.7731","0.0008","90","","116.824","0.001","90","","2827.9","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9-(tert-butylthio)anthracene","","- C18 H18 S -","- C18 H18 S -","- C144 H144 S8 -","8","1","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0418","0.0362","","","0.0947","0.0999","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329438","20.481","0.003","5.0204","0.0008","19.693","0.003","90","","114.562","0.002","90","","1841.7","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(9-anthryl)sulfide","","- C28 H18 S -","- C28 H18 S -","- C112 H72 S4 -","4","0.5","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0504","0.0384","","","0.0887","0.0961","","","","","","1.061","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329439","27.442","0.009","13.748","0.004","8.789","0.003","90","","96.499","0.005","90","","3294.5","1.8","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O S -","- C22 H16 O S -","- C176 H128 O8 S8 -","8","2","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.048","0.0412","","","0.1047","0.1092","","","","","","1.031","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329440","13.8394","0.0007","15.6605","0.0008","16.5178","0.0009","90","","90","","90","","3579.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Triptycyl(t-butyl)sulfide","","- C24 H22 S -","- C24 H22 S -","- C192 H176 S8 -","8","2","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0443","0.0374","","","0.0893","0.0943","","","","","","1.027","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329441","12.116","0.006","16.18","0.008","16.321","0.008","90","","97.575","0.006","90","","3172","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Tetra-n-butylammonium][9-triptylcylthiolate]","","- C36 H49 N S -","- C36 H49 N S -","- C144 H196 N4 S4 -","4","1","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0505","0.0402","","","0.103","0.1105","","","","","","1.028","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329442","11.511","0.0007","16.0819","0.001","16.7584","0.0011","100.892","0.001","105.633","0.001","108.445","0.001","2703.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetra(n-butyl)ammonium bis(tryptcylthiolato)cuprate(I) diethyl ether solvate","","- C60 H72 Cu N O S2 -","- C60 H72 Cu N O S2 -","- C120 H144 Cu2 N2 O2 S4 -","2","1","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0832","0.0614","","","0.1828","0.1968","","","","","","1.074","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329443","12.8412","0.001","20.2258","0.0016","18.3842","0.0014","90","","93.668","0.001","90","","4765","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra(n-butyl)ammonium bis(tryptcylthiolato)cuprate(I) benzene solvate","","- C59 H65 Cu N S2 -","- C59 H65 Cu N S2 -","- C236 H260 Cu4 N4 S8 -","4","1","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0914","0.0606","","","0.1521","0.176","","","","","","1.004","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329444","8.3547","0.0015","9.899","0.0017","20.568","0.004","78.984","0.002","80.382","0.002","80.95","0.002","1632.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-({pentacyclo[6.6.6.0^2,7^.0^9,14^.0^15,20^]icosa-2,4,6,9,11, 13,15(20),16,18-nonaen1-ylsulfanyl}copperylidene)-1,3-bis(2,4,6- trimethylphenyl))-2,3-dihydro-1H-imidazole","","- C41 H37 Cu N2 S -","- C41 H37 Cu N2 S -","- C82 H74 Cu2 N4 S2 -","2","1","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0618","0.0461","","","0.1072","0.116","","","","","","1.023","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329445","38.957","0.007","28.74","0.005","11.982","0.002","90","","91.71","0.002","90","","13409","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C152 H150 Br Cu6 F6 N2 P S6 -","- C152 H150 Br Cu6 F6 N2 P S6 -","- C608 H600 Br4 Cu24 F24 N8 P4 S24 -","4","0.5","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.1552","0.081","","","0.2026","0.2416","","","","","","1.039","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329446","15.2054","0.0004","15.2054","0.0004","37.4914","0.0009","90","","90","","120","","7506.9","0.3","223","2","223","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C43 H86 Cl3 Cu8 F6 N6 P S12 -","- C43 H86 Cl3 Cu8 F6 N6 P S12 -","- C172 H344 Cl12 Cu32 F24 N24 P4 S48 -","4","0.333333","","Ping-Kuei Liao; Ching-Shiang Fang; Alison J. Edwards; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6]","Inorganic Chemistry","2012","51","","6577","6591","10.1021/ic300135w","","","0.71073","MoKα","","0.055","0.0467","","","0.1586","0.1664","","","","","","1.14","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329447","22.788","0.004","22.788","0.004","22.788","0.004","90","","90","","90","","11834","4","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C30 H61 Cu8 F6 N6 P S12 -","- C30 H61 Cu8 F6 N6 P1.01 S12 -","- C240 H488 Cu64 F48 N48 P8.08 S96 -","8","0.166667","","Ping-Kuei Liao; Ching-Shiang Fang; Alison J. Edwards; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6]","Inorganic Chemistry","2012","51","","6577","6591","10.1021/ic300135w","","","0.71073","MoKα","","0.0662","0.0512","","","0.1592","0.1746","","","","","","1.117","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329448","13.9406","0.0013","15.6924","0.0011","22.404","0.002","92.371","0.002","102.639","0.002","97.176","0.002","4732.9","0.7","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H127 Cu7 N6 O25 S12 -","- C69 H127 Cu7 N6 O25 S12 -","- C138 H254 Cu14 N12 O50 S24 -","2","1","","Ping-Kuei Liao; Ching-Shiang Fang; Alison J. Edwards; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6]","Inorganic Chemistry","2012","51","","6577","6591","10.1021/ic300135w","","","0.71073","MoKα","","0.0586","0.0485","","","0.1364","0.1531","","","","","","1.1","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329449","13.8261","0.0011","15.6281","0.0013","22.2911","0.0018","92.501","0.005","102.428","0.004","97.251","0.004","4653.6","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H127 Cu7 N6 O25 S12 -","- C69 H122.5 Cu7 N6 O25 S12 -","- C138 H245 Cu14 N12 O50 S24 -","2","1","","Ping-Kuei Liao; Ching-Shiang Fang; Alison J. Edwards; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6]","Inorganic Chemistry","2012","51","","6577","6591","10.1021/ic300135w","","neutron","1","polychromaticneutronbeam-reactorsource","","0.152","0.152","","0.1369","0.1369","0.127","","","","","","1","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329450","14.863","0.004","8.267","0.002","24.074","0.006","90","","95.108","0.007","90","","2946.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Cu N2 O8 S4 -","- C22 H40 Cu N2 O8 S4 -","- C88 H160 Cu4 N8 O32 S16 -","4","1","","Ping-Kuei Liao; Ching-Shiang Fang; Alison J. Edwards; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6]","Inorganic Chemistry","2012","51","","6577","6591","10.1021/ic300135w","","","0.71073","MoKα","","0.1165","0.0587","","","0.1471","0.1785","","","","","","1.038","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329451","35.49","0.03","12.995","0.004","23.98","0.01","90","","121.66","0.03","90","","9414","10","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 F24 Ni4 O16 -","- C28 H32 F24 Ni4 O16 -","- C224 H256 F192 Ni32 O128 -","8","1","","Sarah Petit; Petr Neugebauer; Guillaume Pilet; Guillaume Chastanet; Anne-Laure Barra; Arlei B. Antunes; Wolfgang Wernsdorfer; Dominique Luneau","Condensation of a Nickel Tetranuclear Cubane into a Heptanuclear Single-Molecule Magnet","Inorganic Chemistry","2012","51","","6645","6654","10.1021/ic3001637","","","0.71073","MoKα","","0.0979","0.0515","","0.1002","0.061","0.061","","","","","","1.0834","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329452","12.705","0.003","18.746","0.016","21.701","0.007","90","","91.703","0.013","90","","5166","5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H54 F36 N8 Ni7 O20 -","- C70 H54 F36 N8 Ni7 O20 -","- C140 H108 F72 N16 Ni14 O40 -","2","0.5","","Sarah Petit; Petr Neugebauer; Guillaume Pilet; Guillaume Chastanet; Anne-Laure Barra; Arlei B. Antunes; Wolfgang Wernsdorfer; Dominique Luneau","Condensation of a Nickel Tetranuclear Cubane into a Heptanuclear Single-Molecule Magnet","Inorganic Chemistry","2012","51","","6645","6654","10.1021/ic3001637","","","0.71073","MoKα","","0.1593","0.0801","","0.1441","0.0884","0.0884","","","","","","1.1488","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329453","13.8378","0.0007","18.6786","0.0008","14.198","0.0007","90","","90.624","0.004","90","","3669.5","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylphosphine)-copper bis(Phenylsulfido)-dimethyl-gallium","","- C26 H52 Cu Ga P4 S2 -","- C26 H52 Cu Ga P4 S2 -","- C104 H208 Cu4 Ga4 P16 S8 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0333","0.0239","","","0.0525","0.0546","","","","","","0.962","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329454","13.8338","0.0009","18.736","0.0011","14.429","0.0008","90","","90.094","0.005","90","","3739.8","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylphosphine)-copper bis(Phenylselenido)-dimethyl-gallium","","- C26 H52 Cu Ga P4 Se2 -","- C26 H52 Cu Ga P4 Se2 -","- C104 H208 Cu4 Ga4 P16 Se8 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0628","0.0408","","","0.0903","0.0966","","","","","","0.981","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329455","13.1432","0.0009","13.1432","0.0009","15.5515","0.0013","90","","90","","120","","2326.5","0.3","213","2","213","2","","","","","","","","7","P -3","-P 3","147","","tetrakis(trimethylphosphine)-copper tris(Phenylsulfido)-methyl-gallium methanol solvate","","- C34 H66 Cu Ga O3 P4 S3 -","- C34 H65.97 Cu Ga O3 P4 S3 -","- C68 H131.94 Cu2 Ga2 O6 P8 S6 -","2","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0413","0.0287","","","0.0611","0.0634","","","","","","0.927","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329456","13.317","0.0012","13.317","0.0012","15.8022","0.0015","90","","90","","120","","2427","0.4","180","2","180","2","","","","","","","","7","P -3","-P 3","147","","tetrakis(trimethylphosphine)-copper tris(Phenylselenido)-methyl-gallium methanol solvate","","- C34 H66 Cu Ga O3 P4 Se3 -","- C34 H65.97 Cu Ga O3 P4 Se3 -","- C68 H131.94 Cu2 Ga2 O6 P8 Se6 -","2","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0448","0.0257","","","0.0442","0.0468","","","","","","0.872","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329457","12.2974","0.0009","14.9911","0.0006","23.7975","0.0015","90","","91.811","0.005","90","","4384.9","0.5","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis(trimethylphosphine)-copper tris(phenyltellurido)-methyl-gallium","","- C31 H54 Cu Ga P4 Te3 -","- C31 H54 Cu Ga P4 Te3 -","- C124 H216 Cu4 Ga4 P16 Te12 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0393","0.0222","","","0.0356","0.0377","","","","","","0.881","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329458","12.0245","0.0006","16.8548","0.0006","22.4194","0.001","90","","103.327","0.004","90","","4421.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(μ~2~-phenylsulfido)-bis(triisopropylphosphine)-dimethyl-di-copper-gallium","","- C38 H63 Cu2 Ga P2 S3 -","- C38 H63 Cu2 Ga P2 S3 -","- C152 H252 Cu8 Ga4 P8 S12 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0503","0.0388","","","0.0989","0.1057","","","","","","1.014","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329459","18.7165","0.0009","11.7912","0.0007","23.0106","0.0011","90","","109.828","0.004","90","","4777.1","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(μ~2~-phenylsulfido)-bis(tritertbutylphosphine)-dimethyl-di-copper-gallium","","- C44 H75 Cu2 Ga P2 S3 -","- C44 H75 Cu2 Ga P2 S3 -","- C176 H300 Cu8 Ga4 P8 S12 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0702","0.0372","","","0.0586","0.0646","","","","","","0.904","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329460","13.6272","0.0007","13.0077","0.0005","28.082","0.0014","90","","97.114","0.004","90","","4939.5","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(μ~2~-phenylsulfido)-bis(tritertbutylphosphine)-dimethyl-di-copper-gallium","","- C44 H75 Cu2 Ga P2 Se3 -","- C44 H75 Cu2 Ga P2 Se3 -","- C176 H300 Cu8 Ga4 P8 Se12 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0369","0.0269","","","0.0587","0.0613","","","","","","1.017","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329461","17.0527","0.0009","12.607","0.0004","20.2383","0.001","90","","103.841","0.004","90","","4224.6","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(μ~2~-phenylsulfido)-bis(triethylphosphine)-methyl-di-copper-gallium","","- C37 H53 Cu2 Ga P2 S4 -","- C37 H53 Cu2 Ga P2 S4 -","- C148 H212 Cu8 Ga4 P8 S16 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0561","0.0416","","","0.1105","0.1161","","","","","","1.054","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329462","11.6285","0.0006","39.204","0.002","10.2233","0.0005","90","","109.528","0.004","90","","4392.5","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis(μ~2~-phenylsulfido)-bis(diethylisopropylphosphine)-methyl -di-copper-gallium","","- C39 H57 Cu2 Ga P2 S4 -","- C39 H57 Cu2 Ga P2 S4 -","- C156 H228 Cu8 Ga4 P8 S16 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0738","0.0543","","","0.1412","0.1518","","","","","","0.996","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329463","12.2982","0.0005","39.4307","0.0011","10.6803","0.0004","90","","113.751","0.003","90","","4740.5","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis(μ~2~-phenylsulfido)-bis(triisopropylphosphine)-methyl -di-copper-gallium","","- C43 H65 Cu2 Ga P2 S4 -","- C43 H65 Cu2 Ga P2 S4 -","- C172 H260 Cu8 Ga4 P8 S16 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0488","0.0367","","","0.1028","0.1072","","","","","","1.042","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329464","12.3284","0.0004","40.095","0.002","10.8926","0.0004","90","","113.723","0.003","90","","4929.3","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis(μ~2~-phenylselenido)-bis(triisopropylphosphine)-methyl -di-copper-gallium","","- C43 H65 Cu2 Ga P2 Se4 -","- C43 H65 Cu2 Ga P2 Se4 -","- C172 H260 Cu8 Ga4 P8 Se16 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0534","0.0323","","","0.07","0.0742","","","","","","0.921","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329465","12.1909","0.0005","39.5081","0.0012","10.7364","0.0004","90","","113.241","0.003","90","","4751.5","0.3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ~2~-phenylselenido)-tris(μ~2~-phenylsulfido)-bis(triisopropylphosphine) -methyl-di-copper-gallium","","- C43 H65 Cu2 Ga P2 S3 Se -","- C43 H65 Cu2 Ga P2 S2.995 Se1.005 -","- C172 H260 Cu8 Ga4 P8 S11.98 Se4.02 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0605","0.0519","","","0.1345","0.1398","","","","","","1.037","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329466","12.4658","0.0004","25.0048","0.0009","23.5111","0.0007","90","","95.505","0.002","90","","7294.7","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ~4~-phenylsulfido)-bis(μ~3~-phenylsulfido)-pentakis(μ~2~-phenylsulfido) -tetrakis(trimethylphosphine)-methyl-hexa-copper-gallium pentane solvate","","- C62.88 H79 Cu6 Ga P4 S8 -","- C62.88 H79 Cu6 Ga P4 S8 -","- C251.52 H316 Cu24 Ga4 P16 S32 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.04","0.0309","","","0.0768","0.08","","","","","","1.05","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329467","16.3325","0.0007","16.3325","0.0007","27.1616","0.0015","90","","90","","120","","6274.7","0.5","180","2","180","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido)-tris(trimethylphosphine) -methyl-tetra-copper-gallium pentane solvate tetrahydrofuran solvate","","- C54.5 H60 Cu4 Ga O1.5 P3 Se6 -","- C54.49 H59.97 Cu4 Ga O1.5 P3 Se6 -","- C217.96 H239.88 Cu16 Ga4 O6 P12 Se24 -","4","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0429","0.0345","","","0.072","0.0744","","","","","","0.97","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329468","18.5472","0.0004","18.5472","0.0004","18.5472","0.0004","90","","90","","90","","6380.2","0.2","180","2","180","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido)-tris(triethylphosphine) -methyl-tetra-copper-gallium","","- C55 H78 Cu4 Ga P3 Se6 -","- C55 H77.97 Cu4 Ga P3 Se6 -","- C220 H311.88 Cu16 Ga4 P12 Se24 -","4","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0257","0.024","","","0.0542","0.0548","","","","","","1.069","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329469","13.9261","0.0006","13.9261","0.0006","29.5186","0.0016","90","","90","","120","","4957.8","0.4","180","2","180","2","","","","","","","","6","R 3 :H","R 3","146","","tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido) -tris(diethylisopropylphosphine)-methyl-tetra-copper-gallium","","- C58 H84 Cu4 Ga P3 Se6 -","- C58 H83.97 Cu4 Ga P3 Se6 -","- C174 H251.91 Cu12 Ga3 P9 Se18 -","3","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0401","0.039","","","0.106","0.1069","","","","","","1.063","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329470","23.2628","0.0008","13.1277","0.0005","23.5164","0.0009","90","","111.598","0.003","90","","6677.4","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(μ~3~-phenyltellurido)-tris(μ~2~-phenyltellurido) -tris(triethylphosphine)-methyl-tetra-copper-gallium","","- C55 H78 Cu4 Ga P3 Te6 -","- C55 H78 Cu4 Ga P3 Te6 -","- C220 H312 Cu16 Ga4 P12 Te24 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0389","0.0224","","","0.0375","0.0395","","","","","","0.844","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329471","11.5239","0.0005","25.1374","0.0013","12.052","0.0005","90","","113.356","0.003","90","","3205.2","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tritertbutylphosphonium tris(phenylsulfido)-methyl-gallium","","- C31 H46 Ga P S3 -","- C31 H46 Ga P S3 -","- C124 H184 Ga4 P4 S12 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0417","0.0348","","","0.0807","0.084","","","","","","1.121","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329472","12.1775","0.0005","23.2239","0.0012","26.157","0.001","90","","103.179","0.003","90","","7202.6","0.6","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tritertbutylphosphonium hexakis(phenyltellurido)-copper tetrahydrofuran solvate","","- C64 H94 Cu4 O P2 Te6 -","- C64 H94 Cu4 O P2 Te6 -","- C256 H376 Cu16 O4 P8 Te24 -","4","1","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0592","0.0386","","","0.1059","0.1241","","","","","","0.976","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329473","11.1295","0.0003","12.1172","0.0003","13.6427","0.0003","88.335","0.001","69.154","0.001","76.794","0.001","1671.17","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4,6-bis(diphenylphosphinoylmethyl)-dibenzofuran","","","- C39 H34 O4 P2 -","- C39 H34 O4 P2 -","- C78 H68 O8 P4 -","2","1","","Daniel Rosario-Amorin; Eileen N. Duesler; Robert T. Paine; Benjamin P. Hay; Laetitia H. Delmau; Sean D. Reilly; Andrew J. Gaunt; Brian L. Scott","Synthesis and Coordination Chemistry of Phosphine Oxide Decorated Dibenzofuran Platforms","Inorganic Chemistry","2012","51","","6667","6681","10.1021/ic300301d","","","0.71073","MoKα","","0.0489","0.0393","","","0.1058","0.1145","","","","","","1.022","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329474","36.938","0.002","12.9389","0.0008","32.894","0.002","90","","99.185","0.003","90","","15519.7","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C156 H138 N6 Nd2 O35 P8 -","- C156 H138 N6 Nd2 O35 P8 -","- C624 H552 N24 Nd8 O140 P32 -","4","1","","Daniel Rosario-Amorin; Eileen N. Duesler; Robert T. Paine; Benjamin P. Hay; Laetitia H. Delmau; Sean D. Reilly; Andrew J. Gaunt; Brian L. Scott","Synthesis and Coordination Chemistry of Phosphine Oxide Decorated Dibenzofuran Platforms","Inorganic Chemistry","2012","51","","6667","6681","10.1021/ic300301d","","","0.71073","MoKα","","0.1461","0.1396","","","0.2928","0.2954","","","","","","1.26","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329475","18.986","0.0006","14.2293","0.0004","26.9259","0.0008","90","","92.894","0.001","90","","7265","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Er0.5 N1.5 O9.5 P2 -","- C38 H34 Er0.5 N1.5 O9.5 P2 -","- C304 H272 Er4 N12 O76 P16 -","8","1","","Daniel Rosario-Amorin; Eileen N. Duesler; Robert T. Paine; Benjamin P. Hay; Laetitia H. Delmau; Sean D. Reilly; Andrew J. Gaunt; Brian L. Scott","Synthesis and Coordination Chemistry of Phosphine Oxide Decorated Dibenzofuran Platforms","Inorganic Chemistry","2012","51","","6667","6681","10.1021/ic300301d","","","0.71073","MoKα","","0.0565","0.0455","","","0.1137","0.1193","","","","","","1.215","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329476","20.108","0.005","11.7","0.003","35.766","0.009","90","","92.087","0.003","90","","8409","4","120","1","120","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 Cl4 O4 P2 Pu -","- C42 H34 Cl4 O4 P2 Pu -","- C336 H272 Cl32 O32 P16 Pu8 -","8","1","","Daniel Rosario-Amorin; Eileen N. Duesler; Robert T. Paine; Benjamin P. Hay; Laetitia H. Delmau; Sean D. Reilly; Andrew J. Gaunt; Brian L. Scott","Synthesis and Coordination Chemistry of Phosphine Oxide Decorated Dibenzofuran Platforms","Inorganic Chemistry","2012","51","","6667","6681","10.1021/ic300301d","","","0.71073","MoKα","","0.1739","0.0846","","","0.2063","0.242","","","","","","1.03","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329477","12.048","0.0016","12.048","0.002","6.8165","0.0011","90","","90","","90","","989.4","0.3","293","2","293","2","","","","","","","","6","P 42 n m","P 4n -2n","102","","","","- Al2 B8 Ba4 Cl3 Na O18 -","- Al2 B8 Ba4 Cl3 Na O18 -","- Al4 B16 Ba8 Cl6 Na2 O36 -","2","0.25","","Jianxiu Zhang; Shufeng Zhang; Yicheng Wu; Jiyang Wang","New Nonlinear Optical Crystal: NaBa4Al2B8O18Cl3","Inorganic Chemistry","2012","51","","6682","6686","10.1021/ic300306v","","","0.71073","MoKα","","0.0603","0.0589","","","0.1568","0.1588","","","","","","1.057","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329478","20.4786","0.0019","11.5413","0.0011","17.5033","0.0015","90","","90","","90","","4136.9","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C51 H38 Cl O3 P2 Ru -","- C51 H38 Cl O3 P2 Ru -","- C204 H152 Cl4 O12 P8 Ru4 -","4","0.5","","Manas Kumar Biswas; Sarat Chandra Patra; Amarendra Nath Maity; Shyue-Chu Ke; Nirmal Das Adhikary; Prasanta Ghosh","Electronic Structures of Ruthenium and Osmium Complexes of 9,10-Phenanthrenequinone","Inorganic Chemistry","2012","51","","6687","6699","10.1021/ic300327x","","","0.71073","MoKα","","0.0327","0.0293","","","0.0757","0.08","","","","","","0.926","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329479","10.4539","0.0003","29.3592","0.0008","15.55","0.0004","90","","90.107","0.002","90","","4772.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 Cl O3 P2 Ru -","- C58 H38 Cl O3 P2 Ru -","- C232 H152 Cl4 O12 P8 Ru4 -","4","1","","Manas Kumar Biswas; Sarat Chandra Patra; Amarendra Nath Maity; Shyue-Chu Ke; Nirmal Das Adhikary; Prasanta Ghosh","Electronic Structures of Ruthenium and Osmium Complexes of 9,10-Phenanthrenequinone","Inorganic Chemistry","2012","51","","6687","6699","10.1021/ic300327x","","","0.71073","MoKα","","0.0703","0.0528","","","0.1133","0.1253","","","","","","1.22","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329480","10.305","0.002","28.966","0.006","15.146","0.003","90","","90.189","0.003","90","","4521","1.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Br Cl2 O3 Os P2 -","- C52 H40 Br Cl2 O3 Os P2 -","- C208 H160 Br4 Cl8 O12 Os4 P8 -","4","1","","Manas Kumar Biswas; Sarat Chandra Patra; Amarendra Nath Maity; Shyue-Chu Ke; Nirmal Das Adhikary; Prasanta Ghosh","Electronic Structures of Ruthenium and Osmium Complexes of 9,10-Phenanthrenequinone","Inorganic Chemistry","2012","51","","6687","6699","10.1021/ic300327x","","","0.71073","MoKα","","0.057","0.0469","","","0.1157","0.1427","","","","","","1.153","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329481","13.2074","0.0003","14.1428","0.0003","25.2055","0.0005","90","","90.265","0.001","90","","4708.08","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 Cl I3 O3 P2 Ru -","- C51 H38 Cl I3 O3 P2 Ru -","- C204 H152 Cl4 I12 O12 P8 Ru4 -","4","1","","Manas Kumar Biswas; Sarat Chandra Patra; Amarendra Nath Maity; Shyue-Chu Ke; Nirmal Das Adhikary; Prasanta Ghosh","Electronic Structures of Ruthenium and Osmium Complexes of 9,10-Phenanthrenequinone","Inorganic Chemistry","2012","51","","6687","6699","10.1021/ic300327x","","","0.71073","MoKα","","0.0267","0.0237","","","0.0532","0.0545","","","","","","1.064","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329482","10.7305","0.0003","11.5248","0.0004","14.9008","0.0004","91.772","0.002","90.039","0.002","94.915","0.003","1835.07","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H28 N3 O3 Re S -","- C47 H28 N3 O3 Re S -","- C94 H56 N6 O6 Re2 S2 -","2","1","","Avijit Ghosh; Mangalampalli Ravikanth","Rhenium(I) Tricarbonyl Complexes of 5,10,15,20-Tetraphenyl-21-thia and 21-Oxaporphyrins","Inorganic Chemistry","2012","51","","6700","6709","10.1021/ic300344g","","","0.71073","MoKα","","0.0518","0.0411","","","0.0813","0.0839","","","","","","1.026","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329483","10.7182","0.0008","11.3376","0.0009","14.8474","0.001","88.948","0.006","88.412","0.006","84.456","0.007","1794.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H28 N3 O4 Re -","- C47 H28 N3 O4 Re -","- C94 H56 N6 O8 Re2 -","2","1","","Avijit Ghosh; Mangalampalli Ravikanth","Rhenium(I) Tricarbonyl Complexes of 5,10,15,20-Tetraphenyl-21-thia and 21-Oxaporphyrins","Inorganic Chemistry","2012","51","","6700","6709","10.1021/ic300344g","","","0.71073","MoKα","","0.1214","0.0966","","","0.2398","0.252","","","","","","1.011","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329484","19.6401","0.0014","17.6383","0.0012","22.048","0.0016","90","","116.414","0.001","90","","6840.5","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H49 Fe K O6 -","- C36.004 H49 Fe K O6 -","- C288.032 H392 Fe8 K8 O48 -","8","2","","Eva-Maria Schnöckelborg; Marat M. Khusniyarov; Bas de Bruin; František Hartl; Thorsten Langer; Matthias Eul; Stephen Schulz; Rainer Pöttgen; Robert Wolf","Unraveling the Electronic Structures of Low-Valent Naphthalene and Anthracene Iron Complexes: X-ray, Spectroscopic, and Density Functional Theory Studies","Inorganic Chemistry","2012","51","","6719","6730","10.1021/ic300366m","","","0.71073","MoKα","","0.0461","0.0315","","","0.0792","0.0882","","","","","","1.033","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329485","15.5887","0.001","7.9705","0.0005","15.1076","0.0009","90","","90","","90","","1877.1","0.2","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H25 Fe -","- C24 H25 Fe -","- C96 H100 Fe4 -","4","1","","Eva-Maria Schnöckelborg; Marat M. Khusniyarov; Bas de Bruin; František Hartl; Thorsten Langer; Matthias Eul; Stephen Schulz; Rainer Pöttgen; Robert Wolf","Unraveling the Electronic Structures of Low-Valent Naphthalene and Anthracene Iron Complexes: X-ray, Spectroscopic, and Density Functional Theory Studies","Inorganic Chemistry","2012","51","","6719","6730","10.1021/ic300366m","","","0.71073","MoKα","","0.0383","0.0305","","","0.0727","0.0771","","","","","","1.03","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329486","8.977","0.001","6.942","0.0005","20.74","0.002","90","","96.665","0.005","90","","1283.7","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 N10 O7 U -","- C2 H10 N10 O7 U -","- C8 H40 N40 O28 U4 -","4","1","","Georg Steinhauser; Gerald Giester; Christoph Wagner; Peter Weinberger; Bernhard Zachhuber; Georg Ramer; Mario Villa; Bernhard Lendl","Nitrogen-rich Compounds of the Actinoids: Dioxouranium(VI) 5,5'-Azobis[tetrazolide] Pentahydrate and Its Unusually Small Uranyl Angle","Inorganic Chemistry","2012","51","","6739","6745","10.1021/ic300377j","","","0.71073","MoKα","","0.0404","0.024","","","0.0419","0.0453","","","","","","1.047","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329487","14.1874","0.0004","14.8204","0.0004","17.3985","0.0006","84.29","0.002","79.636","0.002","74.497","0.002","3462.54","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H111 Lu N6 O2 Si -","- C71 H111 Lu N6 O2 Si -","- C142 H222 Lu2 N12 O4 Si2 -","2","1","","Alexandra G. Trambitas; Daniel Melcher; Larissa Hartenstein; Peter W. Roesky; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Bis(imidazolin-2-iminato) Rare Earth Metal Complexes: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2012","51","","6753","6761","10.1021/ic300407u","","","1.54184","CuKα","","0.0318","0.0311","","","0.0821","0.0826","","","","","","1.082","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329488","39.1283","0.0018","12.5508","0.0003","27.2569","0.0011","90","","99.461","0.004","90","","13203.6","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 Cl N6 O4 Sc -","- C70 H104 Cl N6 O4 Sc -","- C560 H832 Cl8 N48 O32 Sc8 -","8","1","","Alexandra G. Trambitas; Daniel Melcher; Larissa Hartenstein; Peter W. Roesky; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Bis(imidazolin-2-iminato) Rare Earth Metal Complexes: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2012","51","","6753","6761","10.1021/ic300407u","","","1.54184","CuKα","","0.1175","0.0537","","","0.1105","0.1294","","","","","","0.876","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329489","12.5879","0.0006","13.6024","0.0008","19.3331","0.0009","77.231","0.004","86.272","0.004","82.362","0.004","3197.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H100 Cl N6 O2 Y -","- C62 H88 Cl N6 O2 Y -","- C124 H176 Cl2 N12 O4 Y2 -","2","1","","Alexandra G. Trambitas; Daniel Melcher; Larissa Hartenstein; Peter W. Roesky; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Bis(imidazolin-2-iminato) Rare Earth Metal Complexes: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2012","51","","6753","6761","10.1021/ic300407u","","","1.54184","CuKα","","0.0672","0.0617","","","0.1692","0.1738","","","","","","1.049","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329490","39.0752","0.0014","12.5876","0.0002","27.473","0.0008","90","","99.398","0.004","90","","13331.6","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 Cl Lu N6 O4 -","- C70 H104 Cl Lu N6 O4 -","- C560 H832 Cl8 Lu8 N48 O32 -","8","1","","Alexandra G. Trambitas; Daniel Melcher; Larissa Hartenstein; Peter W. Roesky; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Bis(imidazolin-2-iminato) Rare Earth Metal Complexes: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2012","51","","6753","6761","10.1021/ic300407u","","","1.54184","CuKα","","0.0996","0.0476","","","0.1054","0.1201","","","","","","0.874","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329491","12.6034","0.0004","14.0206","0.0004","19.4205","0.0006","74.501","0.002","78.931","0.002","83.188","0.002","3237.2","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H96 I N6 O2 Yb -","- C69 H96 I N6 O2 Yb -","- C138 H192 I2 N12 O4 Yb2 -","2","1","","Alexandra G. Trambitas; Daniel Melcher; Larissa Hartenstein; Peter W. Roesky; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Bis(imidazolin-2-iminato) Rare Earth Metal Complexes: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2012","51","","6753","6761","10.1021/ic300407u","","","0.71073","MoKα","","0.0527","0.0313","","","0.0585","0.0605","","","","","","0.858","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329492","14.2317","0.0004","14.8154","0.0006","17.439","0.0006","83.903","0.004","79.481","0.004","74.332","0.004","3474.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H111 N6 O2 Si Y -","- C71 H111 N6 O2 Si Y -","- C142 H222 N12 O4 Si2 Y2 -","2","1","","Alexandra G. Trambitas; Daniel Melcher; Larissa Hartenstein; Peter W. Roesky; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Bis(imidazolin-2-iminato) Rare Earth Metal Complexes: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2012","51","","6753","6761","10.1021/ic300407u","","","1.54184","CuKα","","0.043","0.0377","","","0.0993","0.1019","","","","","","1.09","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329493","15.3298","0.0003","15.3298","0.0003","18.3932","0.0004","90","","90","","120","","3743.35","0.13","170","","170","","","","","","","","","7","P -3","-P 3","147","","","","- C84 H198 Cl20 Mo12 O27 P12 S8 -","- C84 H132 Cl20 Mo12 O27.006 P12 S8 -","- C84 H132 Cl20 Mo12 O27.006 P12 S8 -","1","0.166667","","Manuel G. Basallote; M. Jesús Fernández-Trujillo; Jose Ángel Pino-Chamorro; Tomás F. Beltrán; Carolina Corao; Rosa Llusar; Maxim Sokolov; Cristian Vicent","Water-Soluble Mo3S4 Clusters Bearing Hydroxypropyl Diphosphine Ligands: Synthesis, Crystal Structure, Aqueous Speciation, and Kinetics of Substitution Reactions","Inorganic Chemistry","2012","51","","6794","6802","10.1021/ic300517g","","","0.7107","MoKα","","0.0863","0.0518","","","0.1295","0.1497","","","","","","1.067","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329494","26.4129","0.001","15.305","0.0005","18.5707","0.0007","90","","108.184","0.004","90","","7132.3","0.5","167.7","","167.7","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C42 H133 F6 Mo3 O17 P7 S4 -","- C42 H79 F6 Mo3 O17 P7 S4 -","- C168 H316 F24 Mo12 O68 P28 S16 -","4","1","","Manuel G. Basallote; M. Jesús Fernández-Trujillo; Jose Ángel Pino-Chamorro; Tomás F. Beltrán; Carolina Corao; Rosa Llusar; Maxim Sokolov; Cristian Vicent","Water-Soluble Mo3S4 Clusters Bearing Hydroxypropyl Diphosphine Ligands: Synthesis, Crystal Structure, Aqueous Speciation, and Kinetics of Substitution Reactions","Inorganic Chemistry","2012","51","","6794","6802","10.1021/ic300517g","","","0.7107","MoKα","","0.0625","0.0508","","","0.1388","0.1491","","","","","","1.076","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4329495","15.23","0.003","16.405","0.003","13.939","0.003","90","","90","","90","","3482.6","1.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H22 Co2 N18 -","- C25 H22 Co2 N18 -","- C100 H88 Co8 N72 -","4","0.5","","Fen Yang; Baiyan Li; Wei Xu; Guanghua Li; Qi Zhou; Jia Hua; Zhan Shi; Shouhua Feng","Two Metal-Organic Frameworks Constructed from One-Dimensional Cobalt(II) Ferrimagnetic Chains with Alternating Antiferromagnetic/Ferromagnetic and AF/AF/FM Interaction: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","6813","6820","10.1021/ic300546z","","","0.71073","MoKα","","0.0489","0.0351","","","0.082","0.0881","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329496","15.884","0.003","22.496","0.005","13.204","0.003","90","","92.11","0.03","90","","4714.9","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Co3 N20 O4 -","- C42 H42 Co3 N20 O4 -","- C168 H168 Co12 N80 O16 -","4","0.5","","Fen Yang; Baiyan Li; Wei Xu; Guanghua Li; Qi Zhou; Jia Hua; Zhan Shi; Shouhua Feng","Two Metal-Organic Frameworks Constructed from One-Dimensional Cobalt(II) Ferrimagnetic Chains with Alternating Antiferromagnetic/Ferromagnetic and AF/AF/FM Interaction: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","6813","6820","10.1021/ic300546z","","","0.71073","MoKα","","0.1098","0.0789","","","0.1968","0.2173","","","","","","1.042","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329497","6.9752","0.0019","34.029","0.009","4.5172","0.0012","90","","90","","90","","1072.2","0.5","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ge10 La7 Li8 -","- Ge10 La7 Li8 -","- Ge20 La14 Li16 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0385","0.024","","","0.0452","0.05","","","","","","0.981","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329498","6.9158","0.0011","33.667","0.005","4.4639","0.0007","90","","90","","90","","1039.3","0.3","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ce7 Ge10 Li8 -","- Ce7 Ge10 Li8 -","- Ce14 Ge20 Li16 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0456","0.031","","","0.0706","0.0786","","","","","","1.029","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329499","6.8879","0.0018","33.486","0.009","4.4376","0.0012","90","","90","","90","","1023.5","0.5","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ge10 Li8 Pr7 -","- Ge10 Li8 Pr7 -","- Ge20 Li16 Pr14 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0295","0.0233","","","0.0494","0.0516","","","","","","1.045","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329500","6.8859","0.0014","33.45","0.007","4.4289","0.0009","90","","90","","90","","1020.1","0.4","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ge10 Li8 Nd7 -","- Ge10 Li8 Nd7 -","- Ge20 Li16 Nd14 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0301","0.0206","","","0.0412","0.0437","","","","","","1.05","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329501","6.8148","0.0006","33.041","0.003","4.3693","0.0004","90","","90","","90","","983.83","0.15","200","2","200","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ge10 Li8 Sm7 -","- Ge10 Li8 Sm7 -","- Ge20 Li16 Sm14 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0221","0.0161","","","0.0355","0.0365","","","","","","0.966","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329502","4.4681","0.0004","6.9249","0.0006","52.492","0.005","90","","90","","90","","1624.2","0.3","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ce11 Ge16 Li12 -","- Ce11 Ge16.192 Li11.808 -","- Ce22 Ge32.384 Li23.616 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0361","0.0245","","","0.0548","0.075","","","","","","1.13","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329503","4.4389","0.0017","6.899","0.003","52.23","0.02","90","","90","","90","","1599.5","1.1","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge16 Li12 Pr11 -","- Ge16.18 Li11.82 Pr11 -","- Ge32.36 Li23.64 Pr22 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.0376","0.0245","","","0.0477","0.0598","","","","","","1.1","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329504","4.4139","0.0008","6.8688","0.0013","51.973","0.01","90","","90","","90","","1575.7","0.5","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge16 Li12 Nd11 -","- Ge16.18 Li11.82 Nd11 -","- Ge32.36 Li23.64 Nd22 -","2","0.125","","Sheng-Ping Guo; Tae-Soo You; Ya-Ho Jung; Svilen Bobev","Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m Homologous Series","Inorganic Chemistry","2012","51","","6821","6829","10.1021/ic300566x","","","0.71073","MoKα","","0.051","0.0285","","","0.0542","0.0669","","","","","","1.067","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329505","15.422","0.003","20.25","0.004","35.116","0.007","90","","90","","90","","10967","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C66 H144 Cl4 Cu12 N12 O50 P4 -","- C66 H122 Cl4 Cu12 N12 O50 P4 -","- C264 H488 Cl16 Cu48 N48 O200 P16 -","4","0.5","","Saskia Speed; Ramon Vicente; Daniel Aravena; Eliseo Ruiz; Olivier Roubeau; Simon J. Teat; M. Salah El Fallah","Hexanuclear Copper(II) Cages Built on a Central {μ3-O...H...μ3-O} Moiety, 1,3-Bis(dimethylamino)-2-propanolato and Capping R-phosphonates: Crystal Structures, Magnetic Behavior, and DFT Studies","Inorganic Chemistry","2012","51","","6842","6850","10.1021/ic300589h","","","0.7514","synchrotron","","0.0629","0.0597","","","0.1606","0.1633","","","","","","1.048","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329506","15.422","0.003","20.25","0.004","35.116","0.007","90","","90","","90","","10967","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H72 Cl2 Cu6 N6 O25 P2 -","- C33 H61 Cl2 Cu6 N6 O25 P2 -","- C264 H488 Cl16 Cu48 N48 O200 P16 -","8","1","","Saskia Speed; Ramon Vicente; Daniel Aravena; Eliseo Ruiz; Olivier Roubeau; Simon J. Teat; M. Salah El Fallah","Hexanuclear Copper(II) Cages Built on a Central {μ3-O...H...μ3-O} Moiety, 1,3-Bis(dimethylamino)-2-propanolato and Capping R-phosphonates: Crystal Structures, Magnetic Behavior, and DFT Studies","Inorganic Chemistry","2012","51","","6842","6850","10.1021/ic300589h","","","0.7514","synchrotron","","0.0821","0.0803","","","0.199","0.2004","","","","","","1.035","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329507","33.4404","0.0014","33.4404","0.0014","22.3622","0.0009","90","","90","","90","","25006.8","1.8","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C33 H81 Cu6 N12 O18 P2 -","- C33 H69 Cu6 N12 O18 P2 -","- C528 H1104 Cu96 N192 O288 P32 -","16","1","","Saskia Speed; Ramon Vicente; Daniel Aravena; Eliseo Ruiz; Olivier Roubeau; Simon J. Teat; M. Salah El Fallah","Hexanuclear Copper(II) Cages Built on a Central {μ3-O...H...μ3-O} Moiety, 1,3-Bis(dimethylamino)-2-propanolato and Capping R-phosphonates: Crystal Structures, Magnetic Behavior, and DFT Studies","Inorganic Chemistry","2012","51","","6842","6850","10.1021/ic300589h","","","0.7749","synchrotron","","0.0774","0.0692","","","0.1958","0.2075","","","","","","1.039","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329508","10.1722","0.0009","16.9303","0.0012","18.0365","0.0013","90","","90","","90","","3106.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin acetate","","- C24 H42 O8 P2 Sn -","- C24 H42 O8 P2 Sn -","- C96 H168 O32 P8 Sn4 -","4","1","","Michael Wagner; Christina Dietz; Stefan Krabbe; Stephan G. Koller; Carsten Strohmann; Klaus Jurkschat","{4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)2","Inorganic Chemistry","2012","51","","6851","6859","10.1021/ic3005954","","","0.71073","MoKα","","0.0854","0.037","","","0.0454","0.0495","","","","","","0.687","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329509","12.4462","0.0004","12.6211","0.0003","18.0942","0.0005","82.249","0.002","76.873","0.002","86.797","0.002","2741.82","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin(I)","","- C44 H78 O12 P4 Sn2 -","- C44 H78 O12 P4 Sn2 -","- C88 H156 O24 P8 Sn4 -","2","1","","Michael Wagner; Christina Dietz; Stefan Krabbe; Stephan G. Koller; Carsten Strohmann; Klaus Jurkschat","{4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)2","Inorganic Chemistry","2012","51","","6851","6859","10.1021/ic3005954","","","0.71073","MoKα","","0.0873","0.057","","","0.1572","0.1662","","","","","","1.1","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329510","26.493","0.002","13.9899","0.0004","24.0375","0.001","90","","117.133","0.005","90","","7928.7","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin(I)","","- C51 H86 O12 P4 Sn2 -","- C44 H78 O12 P4 Sn2 -","- C176 H312 O48 P16 Sn8 -","4","0.5","","Michael Wagner; Christina Dietz; Stefan Krabbe; Stephan G. Koller; Carsten Strohmann; Klaus Jurkschat","{4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)2","Inorganic Chemistry","2012","51","","6851","6859","10.1021/ic3005954","","","0.71073","MoKα","","0.0619","0.046","","","0.128","0.1348","","","","","","1.417","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329511","18.049","0.0006","24.1798","0.0008","13.5944","0.0005","90","","103.039","0.003","90","","5779.9","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis-{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl}tin(II)","","- C51 H86 O12 P4 Sn -","- C44 H78 O12 P4 Sn -","- C176 H312 O48 P16 Sn4 -","4","0.5","","Michael Wagner; Christina Dietz; Stefan Krabbe; Stephan G. Koller; Carsten Strohmann; Klaus Jurkschat","{4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)2","Inorganic Chemistry","2012","51","","6851","6859","10.1021/ic3005954","","","0.71073","MoKα","","0.0352","0.0238","","","0.0645","0.066","","","","","","0.824","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329512","7.2876","0.0015","8.6597","0.0017","9.3876","0.0019","103.51","0.03","103.04","0.03","107.43","0.03","520.9","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Ga Se5 Y -","- Ba2 Ga Se5 Y -","- Ba4 Ga2 Se10 Y2 -","2","1","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0608","0.0382","","","0.07","0.0768","","","","","","0.976","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329513","7.29","0.0015","8.7914","0.0018","9.47","0.0019","103.77","0.03","102.91","0.03","107.72","0.03","532","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Ga Nd Se5 -","- Ba2 Ga Nd Se5 -","- Ba4 Ga2 Nd2 Se10 -","2","1","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0468","0.0318","","","0.0627","0.067","","","","","","0.863","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329514","7.3017","0.0002","8.7635","0.0003","9.4554","0.0003","103.672","0.001","102.963","0.002","107.637","0.001","530.88","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Ga Se5 Sm -","- Ba2 Ga Se5 Sm -","- Ba4 Ga2 Se10 Sm2 -","2","1","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0264","0.0237","","","0.0618","0.0627","","","","","","1.365","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329515","7.2834","0.0015","8.7062","0.0017","9.4079","0.0019","103.65","0.03","103.02","0.03","107.52","0.03","523.8","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Ga Gd Se5 -","- Ba2 Ga Gd Se5 -","- Ba4 Ga2 Gd2 Se10 -","2","1","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0473","0.035","","","0.0713","0.0777","","","","","","0.995","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329516","7.2772","0.0015","8.6543","0.0017","9.3792","0.0019","103.53","0.03","103.07","0.03","107.43","0.03","519.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Dy Ga Se5 -","- Ba2 Dy Ga Se5 -","- Ba4 Dy2 Ga2 Se10 -","2","1","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0562","0.0418","","","0.0935","0.0999","","","","","","0.87","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329517","7.2721","0.0015","8.6258","0.0017","9.3621","0.0019","103.41","0.03","103.13","0.03","107.39","0.03","516.6","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Er Ga Se5 -","- Ba2 Er Ga Se5 -","- Ba4 Er2 Ga2 Se10 -","2","1","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.053","0.0387","","","0.0797","0.0847","","","","","","0.983","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329518","4.2519","0.0009","18.74","0.004","13.271","0.003","90","","90","","90","","1057.4","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Se5 Y -","- Ba2 In Se5 Y -","- Ba8 In4 Se20 Y4 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0226","0.0211","","","0.0413","0.0417","","","","","","0.88","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329519","4.298","0.0009","18.807","0.004","13.227","0.003","90","","90","","90","","1069.2","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Nd Se5 -","- Ba2 In Nd Se5 -","- Ba8 In4 Nd4 Se20 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0387","0.0324","","","0.0666","0.0699","","","","","","0.824","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329520","4.2868","0.0009","18.805","0.004","13.25","0.003","90","","90","","90","","1068.1","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Se5 Sm -","- Ba2 In Se5 Sm -","- Ba8 In4 Se20 Sm4 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0287","0.0264","","","0.0622","0.0628","","","","","","1.095","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329521","4.2695","0.0009","18.79","0.004","13.269","0.003","90","","90","","90","","1064.5","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Gd In Se5 -","- Ba2 Gd In Se5 -","- Ba8 Gd4 In4 Se20 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0326","0.0309","","","0.0651","0.0655","","","","","","0.97","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329522","4.2529","0.0009","18.726","0.004","13.258","0.003","90","","90","","90","","1055.9","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Dy In Se5 -","- Ba2 Dy In Se5 -","- Ba8 Dy4 In4 Se20 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.028","0.0251","","","0.0576","0.0586","","","","","","0.906","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329523","4.2345","0.0008","18.723","0.004","13.255","0.003","90","","90","","90","","1050.9","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Er In Se5 -","- Ba2 Er In Se5 -","- Ba8 Er4 In4 Se20 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0417","0.0375","","","0.0805","0.0824","","","","","","0.758","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329524","9.12016","0.00008","3.05648","0.00003","10.785","0.0001","90","","90","","90","","300.638","0.005","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cd O3.9433 Rh2 -","- Cd O3.9431 Rh2 -","- Cd4 O15.7724 Rh8 -","4","0.5","","Xia Wang; Yanfeng Guo; Youguo Shi; Alexei A. Belik; Yoshihiro Tsujimoto; Wei Yi; Ying Sun; Yuichi Shirako; Masao Arai; Masaki Akaogi; Yoshitaka Matsushita; Kazunari Yamaura","High-Pressure Synthesis, Crystal Structure, and Electromagnetic Properties of CdRh2O4: an Analogous Oxide of the Postspinel Mineral MgAl2O4","Inorganic Chemistry","2012","51","","6868","6875","10.1021/ic300628m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.21","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329525","8.72168","0.00244","8.72168","0.00244","8.72168","0.00244","90","","90","","90","","663.4","0.3","295","","295","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd O4 Rh2 -","- Cd O4 Rh2 -","- Cd8 O32 Rh16 -","8","0.0416667","","Xia Wang; Yanfeng Guo; Youguo Shi; Alexei A. Belik; Yoshihiro Tsujimoto; Wei Yi; Ying Sun; Yuichi Shirako; Masao Arai; Masaki Akaogi; Yoshitaka Matsushita; Kazunari Yamaura","High-Pressure Synthesis, Crystal Structure, and Electromagnetic Properties of CdRh2O4: an Analogous Oxide of the Postspinel Mineral MgAl2O4","Inorganic Chemistry","2012","51","","6868","6875","10.1021/ic300628m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.73","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329526","7.85371","0.00007","23.5462","0.00014","7.85676","0.00007","90","","90","","90","","1452.91","0.02","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na Nb O3 -","- Na Nb O3 -","- Na24 Nb24 O72 -","24","3","","Martin D. Peel; Stephen P. Thompson; Aziz Daoud-Aladine; Sharon E. Ashbrook; Philip Lightfoot","New Twists on the Perovskite Theme: Crystal Structures of the Elusive Phases R and S of NaNbO3","Inorganic Chemistry","2012","51","","6876","6889","10.1021/ic3006585","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329527","7.85774","0.00009","7.85579","0.00009","23.55044","0.00014","90","","90","","90","","1453.74","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Na Nb O3 -","- Na Nb O3 -","- Na24 Nb24 O72 -","24","3","","Martin D. Peel; Stephen P. Thompson; Aziz Daoud-Aladine; Sharon E. Ashbrook; Philip Lightfoot","New Twists on the Perovskite Theme: Crystal Structures of the Elusive Phases R and S of NaNbO3","Inorganic Chemistry","2012","51","","6876","6889","10.1021/ic3006585","powder diffraction","","","","","","","","","","","","","1.41","","","","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329528","7.85684","0.00004","7.86748","0.00007","15.72795","0.00013","90","","90","","90","","972.2","0.013","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na Nb O3 -","- Na Nb O3 -","- Na16 Nb16 O48 -","16","2","","Martin D. Peel; Stephen P. Thompson; Aziz Daoud-Aladine; Sharon E. Ashbrook; Philip Lightfoot","New Twists on the Perovskite Theme: Crystal Structures of the Elusive Phases R and S of NaNbO3","Inorganic Chemistry","2012","51","","6876","6889","10.1021/ic3006585","powder diffraction","","","","","","","","","","","","","1.34","","","","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329529","8.4055","0.0015","14.145","0.003","5.3953","0.001","90","","111.162","0.002","90","","598.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","lathanium methylenediphosphonate","","","- C H2 La O6 P2 -","- C H2 La O6 P2 -","- C4 H8 La4 O24 P8 -","4","0.5","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0276","0.0226","","","0.0533","0.0558","","","","","","0.947","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329530","8.3514","0.0015","14.097","0.003","5.3568","0.001","90","","111.342","0.002","90","","587.4","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","cerium methylenediphosphonate","","","- C H2 Ce O6 P2 -","- C H2 Ce O6 P2 -","- C4 H8 Ce4 O24 P8 -","4","0.5","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0142","0.0142","","","0.0423","0.0423","","","","","","1.066","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329531","8.328","0.005","14.08","0.009","5.353","0.003","90","","111.469","0.008","90","","584.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Praseodymium methylenediphosphonate","","","- C H2 O6 P2 Pr -","- C H2 O6 P2 Pr -","- C4 H8 O24 P8 Pr4 -","4","0.5","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0584","0.04","","","0.0742","0.0806","","","","","","1.023","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329532","8.264","0.0013","14.008","0.002","5.3404","0.0008","90","","111.557","0.002","90","","574.97","0.15","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","neodium methylenediphosphonate","","","- C H2 Nd O6 P2 -","- C H2 Nd O6 P2 -","- C4 H8 Nd4 O24 P8 -","4","0.5","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0228","0.0192","","","0.0479","0.0498","","","","","","1.064","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329533","8.207","0.002","13.938","0.004","5.303","0.003","90","","111.725","0.002","90","","563.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","smarium methylenediphosphonate","","","- C H2 O6 P2 Sm -","- C H2 O6 P2 Sm -","- C4 H8 O24 P8 Sm4 -","4","0.5","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0249","0.0215","","","0.0471","0.0484","","","","","","1.043","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329534","8.297","0.013","14.04","0.02","5.335","0.009","90","","111.498","0.017","90","","578.2","1.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","plutonium methylenediphosphonate","","","- C H2 O6 P2 Pu -","- C H2 O6 P2 Pu -","- C4 H8 O24 P8 Pu4 -","4","0.5","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0309","0.0266","","","0.0586","0.06","","","","","","1.038","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329535","6.81","0.003","15.159","0.007","6.811","0.003","90","","90.914","0.006","90","","703","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium lanthanum methylenediphosphonate","","","- C H4 La Na O7 P2 -","- C H4 La Na O7 P2 -","- C4 H16 La4 Na4 O28 P8 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0613","0.0349","","","0.0634","0.0713","","","","","","0.969","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329536","6.7566","0.0013","15.145","0.003","6.7636","0.0013","90","","90.703","0.002","90","","692.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium cerium methylenediphosphonate","","","- C H2 Ce Na O7 P2 -","- C H2 Ce Na O7 P2 -","- C4 H8 Ce4 Na4 O28 P8 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.035","0.0263","","","0.0671","0.0709","","","","","","1.072","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329537","6.76","0.008","15.134","0.018","6.748","0.008","90","","90.703","0.012","90","","690.3","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium praseodymium methylenediphosphonate","","","- C H4 Na O7 P2 Pr -","- C H4 Na O7 P2 Pr -","- C4 H16 Na4 O28 P8 Pr4 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.1424","0.0644","","","0.125","0.1528","","","","","","0.996","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329538","6.718","0.003","15.056","0.006","6.711","0.003","90","","90.65","0.004","90","","678.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium neodymium methylenediphosphonate","","","- C H2 Na Nd O7 P2 -","- C H2 Na Nd O7 P2 -","- C4 H8 Na4 Nd4 O28 P8 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0359","0.0286","","","0.0702","0.0731","","","","","","1.086","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329539","6.7011","0.0019","15.048","0.004","6.6862","0.0019","90","","90.591","0.006","90","","674.2","0.3","100","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium smarium methylenediphosphonate","","","- C H4 Na O7 P2 Sm -","- C H4 Na O7 P2 Sm -","- C4 H16 Na4 O28 P8 Sm4 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0261","0.0222","","","0.057","0.0587","","","","","","1.015","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329540","6.6851","0.0015","14.998","0.003","6.6653","0.0015","90","","90.522","0.003","90","","668.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium europium methylenediphosphonate","","","- C H4 Eu Na O7 P2 -","- C H4 Eu Na O7 P2 -","- C4 H16 Eu4 Na4 O28 P8 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0333","0.0234","","","0.0521","0.0567","","","","","","0.976","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329541","6.661","0.002","14.987","0.004","6.655","0.002","90","","90.414","0.005","90","","664.3","0.3","100","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium Gadolinium methylenediphosphonate","","","- C H2 Gd Na O7 P2 -","- C H2 Gd Na O7 P2 -","- C4 H8 Gd4 Na4 O28 P8 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0709","0.0415","","","0.076","0.0847","","","","","","0.981","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329542","6.6773","0.0012","15.035","0.003","6.6572","0.0012","90","","90.435","0.002","90","","668.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium terbium methylenediphosphonate","","","- C H2 Na O7 P2 Tb -","- C H2 Na O7 P2 Tb -","- C4 H8 Na4 O28 P8 Tb4 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0357","0.0279","","","0.0704","0.0737","","","","","","1.016","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329543","6.663","0.0011","14.989","0.003","6.6336","0.0011","90","","90.495","0.003","90","","662.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium dysprosium methylenediphosphonate","","","- C H2 Dy Na O7 P2 -","- C H2 Dy Na O7 P2 -","- C4 H8 Dy4 Na4 O28 P8 -","4","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.025","0.0212","","","0.0504","0.052","","","","","","1.021","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329544","6.7104","0.0017","6.7767","0.0017","8.631","0.002","102.521","0.003","98.375","0.003","105.423","0.003","360.63","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","sodium lutetium methylenediphosphonate","","","- C H2 Lu Na O7 P2 -","- C H2 Lu Na O7 P2 -","- C2 H4 Lu2 Na2 O14 P4 -","2","1","","Juan Diwu; Daniel J. Grant; Shuao Wang; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium","Inorganic Chemistry","2012","51","","6906","6915","10.1021/ic300742p","","","0.71073","MoKα","","0.0331","0.0273","","","0.0563","0.0581","","","","","","1.035","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329545","11.8151","0.0006","23.7558","0.0016","22.532","0.0014","90","","98.698","0.004","90","","6251.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H130 Cu6 N16 Ni4 O49 -","- C98 H76 Cu6 N16 Ni4 O49 -","- C196 H152 Cu12 N32 Ni8 O98 -","2","0.5","","Anindita Chakraborty; Barindra Kumar Ghosh; Jordi Ribas-Arino; Joan Ribas; Tapas Kumar Maji","A Heterometallic (NiII-CuII) Decanuclear Cluster Containing Two Distorted Cubane-like Pentanuclear Cores: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","6440","6442","10.1021/ic300756g","","","0.71073","MoKα","","0.2115","0.0767","","","0.1751","0.2471","","","","","","0.966","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329546","9.3035","0.0002","23.031","0.0004","10.0613","0.0002","90","","93.173","0.002","90","","2152.52","0.07","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 I N5 O4 -","- C18 H30 I N5 O4 -","- C72 H120 I4 N20 O16 -","4","1","","Luís M. P. Lima; David Esteban-Gómez; Rita Delgado; Carlos Platas-Iglesias; Raphaël Tripier","Monopicolinate Cyclen and Cyclam Derivatives for Stable Copper(II) Complexation","Inorganic Chemistry","2012","51","","6916","6927","10.1021/ic300784v","","x-ray","0.71073","MoKα","","0.0393","0.027","","","0.0625","0.0653","","","","","","1.049","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4329547","15.5459","0.0003","14.764","0.0003","21.8188","0.0004","90","","90","","90","","5007.84","0.17","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H31 Cl2 Cu N5 O11 -","- C17 H31 Cl2 Cu N5 O11 -","- C136 H248 Cl16 Cu8 N40 O88 -","8","1","","Luís M. P. Lima; David Esteban-Gómez; Rita Delgado; Carlos Platas-Iglesias; Raphaël Tripier","Monopicolinate Cyclen and Cyclam Derivatives for Stable Copper(II) Complexation","Inorganic Chemistry","2012","51","","6916","6927","10.1021/ic300784v","","x-ray","0.71073","MoKα","","0.0707","0.0477","","","0.1297","0.1375","","","","","","1.065","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329548","8.0688","0.0002","9.5667","0.0002","12.2122","0.0003","96.883","0.002","96.8","0.002","98.919","0.002","915.51","0.04","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Cl Cu N5 O6 -","- C15 H24 Cl Cu N5 O6 -","- C30 H48 Cl2 Cu2 N10 O12 -","2","1","","Luís M. P. Lima; David Esteban-Gómez; Rita Delgado; Carlos Platas-Iglesias; Raphaël Tripier","Monopicolinate Cyclen and Cyclam Derivatives for Stable Copper(II) Complexation","Inorganic Chemistry","2012","51","","6916","6927","10.1021/ic300784v","","x-ray","0.71073","MoKα","","0.0294","0.0262","","","0.0734","0.0745","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329549","11.8699","0.0005","11.6792","0.0005","16.8272","0.0007","90","","90.399","0.004","90","","2332.71","0.17","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Cl2 Cu N5 O11 -","- C15 H27 Cl2 Cu N5 O11 -","- C60 H108 Cl8 Cu4 N20 O44 -","4","1","","Luís M. P. Lima; David Esteban-Gómez; Rita Delgado; Carlos Platas-Iglesias; Raphaël Tripier","Monopicolinate Cyclen and Cyclam Derivatives for Stable Copper(II) Complexation","Inorganic Chemistry","2012","51","","6916","6927","10.1021/ic300784v","","x-ray","0.71073","MoKα","","0.1142","0.0667","","","0.1718","0.1874","","","","","","0.967","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329550","32.746","0.003","8.0014","0.0004","17.6495","0.0014","90","","120.138","0.011","90","","3999.3","0.7","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 Cl2 Cu2 N10 O7 -","- C34 H62 Cl2 Cu2 N10 O7 -","- C136 H248 Cl8 Cu8 N40 O28 -","4","0.5","","Luís M. P. Lima; David Esteban-Gómez; Rita Delgado; Carlos Platas-Iglesias; Raphaël Tripier","Monopicolinate Cyclen and Cyclam Derivatives for Stable Copper(II) Complexation","Inorganic Chemistry","2012","51","","6916","6927","10.1021/ic300784v","","x-ray","0.71073","MoKα","","0.0716","0.0448","","","0.1116","0.1199","","","","","","0.975","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4329551","9.6282","0.001","14.5927","0.0014","15.2094","0.0015","64.348","0.005","83.229","0.005","87.496","0.005","1912.8","0.3","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C41.47 H32.47 Cl4.4 N5 O2 -","- C41.468 H32.468 Cl4.404 N5 O2 -","- C82.936 H64.936 Cl8.808 N10 O4 -","2","1","","Manuela Stefanelli; Giuseppe Pomarico; Luca Tortora; Sara Nardis; Frank R. Fronczek; Gregory T. McCandless; Kevin M. Smith; Machima Manowong; Yuanyuan Fang; Ping Chen; Karl M. Kadish; Angela Rosa; Giampaolo Ricciardi; Roberto Paolesse","β-Nitro-5,10,15-tritolylcorroles","Inorganic Chemistry","2012","51","","6928","6942","10.1021/ic3007926","","","1.54178","CuKα","","0.061","0.059","","","0.154","0.155","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329552","37.19","0.003","37.996","0.006","13.8041","0.001","90","","90","","90","","19506","4","90","0.5","90","0.5","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C58.81 H42.81 Cl2.44 Co N6 O4 P -","- C58 H42 Co N6 O4 P -","- C928 H672 Co16 N96 O64 P16 -","16","1","","Manuela Stefanelli; Giuseppe Pomarico; Luca Tortora; Sara Nardis; Frank R. Fronczek; Gregory T. McCandless; Kevin M. Smith; Machima Manowong; Yuanyuan Fang; Ping Chen; Karl M. Kadish; Angela Rosa; Giampaolo Ricciardi; Roberto Paolesse","β-Nitro-5,10,15-tritolylcorroles","Inorganic Chemistry","2012","51","","6928","6942","10.1021/ic3007926","","","0.71073","MoKα","","0.0651","0.0594","","","0.1558","0.1608","","","","","","1.043","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329553","18.225","0.003","9.2487","0.0014","29.294","0.004","90","","105.212","0.01","90","","4764.7","1.3","120","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","3,12-(NO2)2TTCorrCoPPh3","","","- C117 H86 Cl2 Co2 N12 O8 P2 -","- C117 H86 Cl2 Co2 N12 O8 P2 -","- C234 H172 Cl4 Co4 N24 O16 P4 -","2","0.5","","Manuela Stefanelli; Giuseppe Pomarico; Luca Tortora; Sara Nardis; Frank R. Fronczek; Gregory T. McCandless; Kevin M. Smith; Machima Manowong; Yuanyuan Fang; Ping Chen; Karl M. Kadish; Angela Rosa; Giampaolo Ricciardi; Roberto Paolesse","β-Nitro-5,10,15-tritolylcorroles","Inorganic Chemistry","2012","51","","6928","6942","10.1021/ic3007926","","","1.54184","CuKα","","0.0754","0.0587","","","0.1562","0.1687","","","","","","1.025","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329554","19.41","0.002","19.41","0.002","19.41","0.002","90","","90","","90","","7312.7","1.3","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C136 O32 Zr6 -","- C135.84 O32 Zr6 -","- C135.84 O32 Zr6 -","1","0.0208333","","William Morris; Boris Volosskiy; Selcuk Demir; Felipe Gándara; Psaras L. McGrier; Hiroyasu Furukawa; Duilio Cascio; J. Fraser Stoddart; Omar M. Yaghi","Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","6443","6445","10.1021/ic300825s","","","0.91033","Synchrotron","","0.1865","0.186","","","0.627","0.6287","","","","","","3.851","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329555","42.68","0.006","42.68","0.006","16.66","0.003","90","","90","","120","","26282","7","293","2","100","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C288 H168 Cl6 Fe6 N24 O150 Zr18 -","- C288 H168 Cl6 Fe6 N24 O150 Zr18 -","- C288 H168 Cl6 Fe6 N24 O150 Zr18 -","1","0.0416667","","William Morris; Boris Volosskiy; Selcuk Demir; Felipe Gándara; Psaras L. McGrier; Hiroyasu Furukawa; Duilio Cascio; J. Fraser Stoddart; Omar M. Yaghi","Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","6443","6445","10.1021/ic300825s","","","0.9201","Synchrotron","","0.091","0.0758","","","0.2096","0.2208","","","","","","1.067","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329556","25.706","0.0002","24.5296","0.0002","28.4474","0.0002","90","","90","","90","","17937.7","0.2","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 N8 Nd2 O80 Si2 W20 -","- C112 N8 Nd2 O80 Si2 W20 -","- C448 N32 Nd8 O320 Si8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0797","0.0486","","","0.0943","0.1087","","","","","","1.019","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329557","25.6905","0.0001","24.4161","0.0001","28.619","0.0002","90","","90","","90","","17951.6","0.16","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 Eu2 N8 O80 Si2 W20 -","- C112 Eu2 N8 O80 Si2 W20 -","- C448 Eu8 N32 O320 Si8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0483","0.0339","","","0.0882","0.1042","","","","","","1.002","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329558","25.6711","0.0002","24.3722","0.0002","28.6457","0.0002","90","","90","","90","","17922.5","0.2","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 Gd2 N8 O80 Si2 W20 -","- C112 Gd2 N8 O80 Si2 W20 -","- C448 Gd8 N32 O320 Si8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0594","0.0451","","","0.1134","0.1286","","","","","","1.075","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329559","25.6672","0.0001","24.3218","0.0001","28.7271","0.0002","90","","90","","90","","17933.5","0.16","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 N8 O80 Si2 Tb2 W20 -","- C112 N8 O80 Si2 Tb2 W20 -","- C448 N32 O320 Si8 Tb8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0587","0.0408","","","0.0931","0.1081","","","","","","1.018","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329560","25.65119","0.0001","24.259","0.0001","28.8018","0.0001","90","","90","","90","","17922.6","0.12","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 Dy2 N8 O80 Si2 W20 -","- C112 Dy2 N8 O80 Si2 W20 -","- C448 Dy8 N32 O320 Si8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0445","0.0343","","","0.0928","0.1083","","","","","","1.056","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329561","24.2234","0.0001","28.7953","0.0001","25.6468","0.0001","90","","90","","90","","17889.2","0.12","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C112 N8 O80 Si2 W20 Y2 -","- C112 N8 O80 Si2 W20 Y2 -","- C448 N32 O320 Si8 W80 Y8 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","x-ray","0.71069","MoKα","","","0.0402","","","","0.1393","","","","","","1.099","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329562","14.9676","0.0011","14.9676","0.0011","63.056","0.004","90","","90","","120","","12233.8","1.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C41 H31.5 Cr F12 N8.5 P2 -","- C41 H29.985 Cr F12 N8.5 P2 -","- C492 H359.82 Cr12 F144 N102 P24 -","12","0.666667","","Christopher C. Scarborough; Stephen Sproules; Christian J. Doonan; Karl S. Hagen; Thomas Weyhermüller; Karl Wieghardt","Scrutinizing Low-Spin Cr(II) Complexes","Inorganic Chemistry","2012","51","","6969","6982","10.1021/ic300882r","","","0.71073","MoKα","","0.128","0.1069","","","0.2315","0.2415","","","","","","1.133","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329563","9.4602","0.0008","13.5845","0.0011","14.9225","0.0013","96.019","0.002","103.23","0.002","102.314","0.002","1799.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cr(phen)3](OTf)2","tris-(Phenanthroline)-chromium(ii) ditriflate","","- C38 H24 Cr F6 N6 O6 S2 -","- C38 H24 Cr F6 N6 O6 S2 -","- C76 H48 Cr2 F12 N12 O12 S4 -","2","1","","Christopher C. Scarborough; Stephen Sproules; Christian J. Doonan; Karl S. Hagen; Thomas Weyhermüller; Karl Wieghardt","Scrutinizing Low-Spin Cr(II) Complexes","Inorganic Chemistry","2012","51","","6969","6982","10.1021/ic300882r","","x-ray","0.71073","MoKα","","0.0666","0.0539","","","0.1371","0.144","","","","","","1.045","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329564","25.027","0.005","11.599","0.002","53.487","0.009","90","","90.375","0.003","90","","15526","5","100","2","100","2","","","","","","","tetrahydrofurane, pentane","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl2 Cr N4 -","- C36 H48 Cl2 Cr N4 -","- C576 H768 Cl32 Cr16 N64 -","16","4","","Christopher C. Scarborough; Stephen Sproules; Christian J. Doonan; Karl S. Hagen; Thomas Weyhermüller; Karl Wieghardt","Scrutinizing Low-Spin Cr(II) Complexes","Inorganic Chemistry","2012","51","","6969","6982","10.1021/ic300882r","","","0.71073","MoKα","","0.0913","0.0648","","","0.1284","0.1382","","","","","","1.105","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329565","23.038","0.001","13.1094","0.0007","7.6853","0.0004","90","","98.349","0.003","90","","2296.5","0.2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 N2 O16.5 P4 Zr -","- C10 N2 O16.5 P4 Zr -","- C40 N8 O66 P16 Zr4 -","4","0.5","","Ferdinando Costantino; Anna Donnadio; Mario Casciola","Survey on the Phase Transitions and Their Effect on the Ion-Exchange and on the Proton-Conduction Properties of a Flexible and Robust Zr Phosphonate Coordination Polymer","Inorganic Chemistry","2012","51","","6992","7000","10.1021/ic3009656","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.17745","","3.33","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329566","11.8783","0.0012","13.9884","0.0017","17.268","0.0015","73.317","0.007","88.34","0.007","76.867","0.005","2674.5","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H37 F12 Mo P2 S6 -","- C53 H37 F12 Mo P2 S6 -","- C106 H74 F24 Mo2 P4 S12 -","2","1","","Neilson Nguyen; Alan J. Lough; Ulrich Fekl","Rapid, Covalent Addition of Phosphine to Dithiolene in a Molybdenum Tris(dithiolene). A New Structural Model for Dimethyl Sulfoxide Reductase","Inorganic Chemistry","2012","51","","6446","6448","10.1021/ic301031b","","","0.71073","MoKα","","0.1848","0.0795","","","0.1518","0.1949","","","","","","1.009","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329567","10.4327","0.0003","24.0859","0.0013","21.8431","0.0012","90","","90.154","0.003","90","","5488.7","0.5","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H35 Cl3 F12 Mo P2 S6 -","- C51 H35 Cl3 F12 Mo P2 S6 -","- C204 H140 Cl12 F48 Mo4 P8 S24 -","4","1","","Neilson Nguyen; Alan J. Lough; Ulrich Fekl","Rapid, Covalent Addition of Phosphine to Dithiolene in a Molybdenum Tris(dithiolene). A New Structural Model for Dimethyl Sulfoxide Reductase","Inorganic Chemistry","2012","51","","6446","6448","10.1021/ic301031b","","","0.71073","MoKα","","0.2064","0.0784","","","0.184","0.2759","","","","","","0.982","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329568","28.645","0.009","31.827","0.011","38.707","0.013","90","","90","","90","","35289","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- H30 K14 O84 P2 W19 -","- K10 O84 P2 W19 -","- K160 O1344 P32 W304 -","16","0.5","","Kevin P. O'Halloran; Chongchao Zhao; Nicole S. Ando; Arthur J. Schultz; Thomas F. Koetzle; Paula M. B. Piccoli; Britt Hedman; Keith O. Hodgson; Elena Bobyr; Martin L. Kirk; Sushilla Knottenbelt; Ezra C. Depperman; Benjamin Stein; Travis M. Anderson; Rui Cao; Yurii V. Geletii; Kenneth I. Hardcastle; Djamaladdin G. Musaev; Wade A. Neiwert; Xikui Fang; Keiji Morokuma; Shaoxiong Wu; Paul Kögerler; Craig L. Hill","Revisiting the Polyoxometalate-Based Late-Transition-Metal-Oxo Complexes: The ""Oxo Wall"" Stands","Inorganic Chemistry","2012","51","","7025","7031","10.1021/ic2008914","","","0.71073","MoKα","","0.0675","0.0497","","","0.1844","0.2129","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329569","11.984","0.002","17.335","0.004","23.029","0.005","90.382","0.003","103.293","0.003","108.724","0.003","4392.7","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- H35 K12 O86.5 P2 Pd W19 -","- K12 O86.5 P2 Pd W19 -","- K24 O173 P4 Pd2 W38 -","2","1","","Kevin P. O'Halloran; Chongchao Zhao; Nicole S. Ando; Arthur J. Schultz; Thomas F. Koetzle; Paula M. B. Piccoli; Britt Hedman; Keith O. Hodgson; Elena Bobyr; Martin L. Kirk; Sushilla Knottenbelt; Ezra C. Depperman; Benjamin Stein; Travis M. Anderson; Rui Cao; Yurii V. Geletii; Kenneth I. Hardcastle; Djamaladdin G. Musaev; Wade A. Neiwert; Xikui Fang; Keiji Morokuma; Shaoxiong Wu; Paul Kögerler; Craig L. Hill","Revisiting the Polyoxometalate-Based Late-Transition-Metal-Oxo Complexes: The ""Oxo Wall"" Stands","Inorganic Chemistry","2012","51","","7025","7031","10.1021/ic2008914","","","0.71073","MoKα","","0.0759","0.0547","","","0.1595","0.1754","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329570","14.169","0.0004","4.99877","0.00012","15.0572","0.0004","90","","113.547","0.003","90","","977.66","0.05","160","1","160","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N8 -","- C26 H16 N8 -","- C52 H32 N16 -","2","0.5","","Sabrina M. Huber; Martin S. Seyfried; Anthony Linden; Nathan W. Luedtke","Excitonic Luminescence of Hemiporphyrazines","Inorganic Chemistry","2012","51","","7032","7038","10.1021/ic2017566","","","1.54178","CuKα","","0.0596","0.0495","","","0.1286","0.1452","","","","","","1.036","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4329571","8.252","0.0002","10.8769","0.0004","11.4996","0.0005","117.121","0.003","95.376","0.002","106.102","0.005","852.89","0.07","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 F6 N8 O8 S2 Zn -","- C30 H24 F6 N8 O8 S2 Zn -","- C30 H24 F6 N8 O8 S2 Zn -","1","0.5","","Sabrina M. Huber; Martin S. Seyfried; Anthony Linden; Nathan W. Luedtke","Excitonic Luminescence of Hemiporphyrazines","Inorganic Chemistry","2012","51","","7032","7038","10.1021/ic2017566","","","0.71073","MoKα","","0.0294","0.0267","","","0.0688","0.0703","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4329572","20.3101","0.0009","9.0336","0.0003","20.0894","0.0009","90","","99.057","0.002","90","","3639.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N6 -","- C50 H32 N6 -","- C200 H128 N24 -","4","1","","Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song","Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes","Inorganic Chemistry","2012","51","","7039","7049","10.1021/ic201757r","","","0.71073","MoKα","","0.1592","0.0593","","","0.1087","0.1389","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329573","10.3248","0.0005","18.3669","0.0009","19.8936","0.0011","109.469","0.002","100.819","0.002","102.057","0.002","3340.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H58 B2 Cl2 F8 N6 Rh2 -","- C67 H58 B2 Cl2 F8 N6 Rh2 -","- C134 H116 B4 Cl4 F16 N12 Rh4 -","2","1","","Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song","Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes","Inorganic Chemistry","2012","51","","7039","7049","10.1021/ic201757r","","","0.71073","MoKα","","0.0848","0.0504","","","0.1147","0.1246","","","","","","1.028","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329574","18.463","0.001","9.142","0.0005","35.166","0.002","90","","90","","90","","5935.6","0.6","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C50.5 H33 Cl5 N6 Zn2 -","- C50.5 H33 Cl5 N6 Zn2 -","- C202 H132 Cl20 N24 Zn8 -","4","0.5","","Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song","Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes","Inorganic Chemistry","2012","51","","7039","7049","10.1021/ic201757r","","","0.71073","MoKα","","0.1431","0.0673","","","0.1528","0.1767","","","","","","0.947","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329575","18.5166","0.0005","9.1434","0.0002","35.0635","0.001","90","","90","","90","","5936.4","0.3","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C50 H32 Cl4 N6 Zn2 -","- C50 H32 Cl4 N6 Zn2 -","- C200 H128 Cl16 N24 Zn8 -","4","0.5","","Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song","Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes","Inorganic Chemistry","2012","51","","7039","7049","10.1021/ic201757r","","","0.71073","MoKα","","0.1012","0.0496","","","0.1149","0.1302","","","","","","0.941","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329576","14.6487","0.0004","19.4576","0.0006","16.5977","0.0006","90","","108.582","0.001","90","","4484.2","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 F6 N6 O6 S2 Zn -","- C52 H32 F6 N6 O6 S2 Zn -","- C208 H128 F24 N24 O24 S8 Zn4 -","4","0.5","","Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song","Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes","Inorganic Chemistry","2012","51","","7039","7049","10.1021/ic201757r","","","0.71073","MoKα","","0.0751","0.0512","","","0.1336","0.1472","","","","","","1.052","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329577","21.8439","0.0011","10.4025","0.0005","20.645","0.0011","90","","90","","90","","4691.2","0.4","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 Dy N3 O -","- C10 H44 B6 Dy N3 O -","- C80 H352 B48 Dy8 N24 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0496","0.0364","","","0.0691","0.0724","","","","","","0.941","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329578","21.858","0.005","10.378","0.003","20.625","0.005","90","","90","","90","","4679","2","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Er(H3BNMe2BH3)3(thf)","Tris(N,N-dimethyaminodiboranato)(tetrahydrofuran)erbium(III)","","- C10 H44 B6 Er N3 O -","- C10 H44 B6 Er N3 O -","- C80 H352 B48 Er8 N24 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0299","0.0228","","","0.0473","0.0483","","","","","","0.954","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329579","22.0316","0.0007","10.4494","0.0003","20.6503","0.0006","90","","90","","90","","4754.1","0.2","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 N3 Nd O -","- C10 H44 B6 N3 Nd O -","- C80 H352 B48 N24 Nd8 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0446","0.0272","","","0.0495","0.0525","","","","","","0.92","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329580","12.3657","0.0005","10.8176","0.0005","14.6115","0.0006","90","","96.022","0.002","90","","1943.75","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H36 B6 N3 Pr -","- C6 H36 B6 N3 Pr -","- C24 H144 B24 N12 Pr4 -","4","1","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0206","0.017","","","0.0401","0.0421","","","","","","1.049","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329581","28.464","0.003","14.0417","0.0014","9.3917","0.0009","90","","90","","90","","3753.7","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris(N,N-dimethylaminodiboranato)erbium(III)","","- C12 H72 B12 Er2 N6 -","- C12 H72 B12 Er2 N6 -","- C48 H288 B48 Er8 N24 -","4","1","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.1403","0.0476","","","0.0612","0.0762","","","","","","0.712","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329582","21.936","0.003","10.3975","0.0015","20.59","0.003","90","","90","","90","","4696.2","1.2","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 N3 O Sm -","- C10 H44 B6 N3 O Sm -","- C80 H352 B48 N24 O8 Sm8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0438","0.0285","","","0.0502","0.0529","","","","","","0.9","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329583","21.989","0.005","10.426","0.003","20.651","0.005","90","","90","","90","","4734","2","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 Eu N3 O -","- C10 H44 B6 Eu N3 O -","- C80 H352 B48 Eu8 N24 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0473","0.0258","","","0.043","0.0443","","","","","","0.743","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329584","15.8615","0.0006","10.1549","0.0004","11.3788","0.0004","90","","96.744","0.001","90","","1820.12","0.12","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H36 B6 N3 Sm -","- C6 H36 B6 N3 Sm -","- C24 H144 B24 N12 Sm4 -","4","1","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0321","0.0314","","","0.0843","0.0849","","","","","","1.15","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329585","21.946","0.005","10.398","0.002","20.609","0.004","90","","90","","90","","4702.9","1.7","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 Gd N3 O -","- C10 H44 B6 Gd N3 O -","- C80 H352 B48 Gd8 N24 O8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0487","0.028","","","0.0539","0.0555","","","","","","0.777","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329586","15.213","0.002","15.213","0.002","14.092","0.003","90","","90","","90","","3261.4","0.9","193","2","193","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C26 H100 B16 La4 N8 O4 -","- C26 H100 B16 La4 N8 O4 -","- C52 H200 B32 La8 N16 O8 -","2","0.25","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0401","0.0234","","","0.0382","0.0391","","","","","","0.742","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329587","10.5926","0.0005","10.8626","0.0005","19.383","0.0009","90","","95.399","0.002","90","","2220.38","0.18","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H44 B6 N3 O Tm -","- C10 H44 B6 N3 O Tm -","- C40 H176 B24 N12 O4 Tm4 -","4","1","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0263","0.0221","","","0.0572","0.0583","","","","","","1.067","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329588","16.772","","16.772","0.005","16.772","","90","","90","","90","","4718","1.4","193","2","193","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C10 H44 B6 La N3 O -","- C9.96 H43.92 B6 La N3 O -","- C79.68 H351.36 B48 La8 N24 O8 -","8","0.333333","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0765","0.0522","","","0.1014","0.1053","","","","","","0.856","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329589","21.868","0.007","10.395","0.004","20.63","0.007","90","","90","","90","","4690","3","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H44 B6 N3 O Y -","- C10 H44 B6 N3 O Y -","- C80 H352 B48 N24 O8 Y8 -","8","2","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.1126","0.0539","","","0.0744","0.0877","","","","","","1.003","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329590","10.5517","0.0004","10.8434","0.0004","19.4142","0.0007","90","","95.423","0.002","90","","2211.36","0.14","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H44 B6 Lu N3 O -","- C10 H44 B6 Lu N3 O -","- C40 H176 B24 Lu4 N12 O4 -","4","1","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0362","0.0229","","","0.0494","0.0542","","","","","","1.03","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329591","28.546","0.003","14.0655","0.0014","9.4086","0.0007","90","","90","","90","","3777.7","0.6","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H72 B12 N6 Y2 -","- C12 H72 B12 N6 Y2 -","- C48 H288 B48 N24 Y8 -","4","1","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.1342","0.0462","","","0.0725","0.0851","","","","","","0.729","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329592","19.0504","0.0008","19.0504","0.0008","32.392","0.003","90","","90","","120","","10180.7","1.1","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","Zn2(C18H6O8)(H2O)2","","","- C18 H10 O10 Zn2 -","- C18 H6 O10 Zn2 -","- C162 H54 O90 Zn18 -","9","0.25","","Yun-Xia Hu; Hai-Bo Ma; Bo Zheng; Wen-Wei Zhang; Shengchang Xiang; Lu Zhai; Li-Feng Wang; Banglin Chen; Xiao-Ming Ren; Junfeng Bai","Three Novel Isomeric Zinc Metal-Organic Frameworks from a Tetracarboxylate Linker","Inorganic Chemistry","2012","51","","7066","7074","10.1021/ic202085j","","","0.71073","MoKα","","0.075","0.0595","","","0.1823","0.2013","","","","","","1.096","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329593","23.8339","0.0009","23.8339","0.0009","20.272","0.0017","90","","90","","120","","9972.8","1","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C18 H10 O10 Zn2 -","- C18 H6 O10 Zn2 -","- C162 H54 O90 Zn18 -","9","0.25","","Yun-Xia Hu; Hai-Bo Ma; Bo Zheng; Wen-Wei Zhang; Shengchang Xiang; Lu Zhai; Li-Feng Wang; Banglin Chen; Xiao-Ming Ren; Junfeng Bai","Three Novel Isomeric Zinc Metal-Organic Frameworks from a Tetracarboxylate Linker","Inorganic Chemistry","2012","51","","7066","7074","10.1021/ic202085j","","","0.71073","MoKα","","0.1193","0.0966","","","0.267","0.2827","","","","","","1.016","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329594","17.2089","0.0012","17.2089","0.0012","28.523","0.004","90","","90","","90","","8447","1.4","291","2","293","2","","","","","","","","4","P 42/n n m :2","-P 4ac 2bc","134","","","","- C18 H10 O10 Zn2 -","- C18 H6 O10 Zn2 -","- C144 H48 O80 Zn16 -","8","0.5","","Yun-Xia Hu; Hai-Bo Ma; Bo Zheng; Wen-Wei Zhang; Shengchang Xiang; Lu Zhai; Li-Feng Wang; Banglin Chen; Xiao-Ming Ren; Junfeng Bai","Three Novel Isomeric Zinc Metal-Organic Frameworks from a Tetracarboxylate Linker","Inorganic Chemistry","2012","51","","7066","7074","10.1021/ic202085j","","","0.71073","MoKα","","0.0653","0.0492","","","0.1292","0.134","","","","","","0.982","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329595","22.382","0.003","10.7731","0.0015","13.5326","0.0018","90","","100.108","0.006","90","","3212.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H5 Cd N4 O5 -","- C13 H5 Cd N4 O5 -","- C104 H40 Cd8 N32 O40 -","8","1","","Kolleboyina Jayaramulu; Sandeep Kumar Reddy; Arpan Hazra; Sundaram Balasubramanian; Tapas Kumar Maji","Three-Dimensional Metal-Organic Framework with Highly Polar Pore Surface: H2 and CO2 Storage Characteristics","Inorganic Chemistry","2012","51","","7103","7111","10.1021/ic202601y","","","0.71073","MoKα","","0.0533","0.0444","","","0.1281","0.1345","","","","","","1.137","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329596","23.988","0.0018","11.4987","0.0009","24.0999","0.0019","90","","112.635","0.001","90","","6135.5","0.8","210","2","210","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 As3 Cl4 I3 Pt3 S3 -","- C56 H46 As3 Cl4 I3 Pt3 S3 -","- C224 H184 As12 Cl16 I12 Pt12 S12 -","4","1","","Alexandra Hildebrand; Imola Sárosi; Peter Lönnecke; Luminiţa Silaghi-Dumitrescu; Menyhárt B. Sárosi; Ioan Silaghi-Dumitrescu; Evamarie Hey-Hawkins","Heteropolytopic Arsanylarylthiolato Ligands: Cis-Trans Isomerism of Nickel(II), Palladium(II), and Platinum(II) Complexes of 1-AsPh2-2-SHC6H4","Inorganic Chemistry","2012","51","","7125","7133","10.1021/ic300002p","","","0.71073","MoKα","","0.0835","0.0574","","","0.102","0.1092","","","","","","1.151","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329597","11.181","0.0007","11.2057","0.0008","41.036","0.002","90","","90","","90","","5141.4","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[(R)-Ph(Me)HCNMe3][Ni(dmit)2]3","","","- C29 H18 N Ni3 S30 -","- C29 H18 N Ni3 S30 -","- C116 H72 N4 Ni12 S120 -","4","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","","0.71073","MoKα","","0.0671","0.0384","","","0.0907","0.1239","","","","","","1.027","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329598","11.2264","0.0009","11.5591","0.0009","43.063","0.003","90","","90","","90","","5588.2","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[(S)-tBu(Me)HCNMe3][Ni(dmit)2]3,(CH3CN)2","","","- C31 H28 N3 Ni3 S30 -","- C31 H28 N3 Ni3 S30 -","- C124 H112 N12 Ni12 S120 -","4","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","","0.71073","MoKα","","0.0408","0.0293","","","0.0738","0.0927","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329599","8.8577","0.0008","12.8475","0.0012","23.445","0.002","81.282","0.004","82.505","0.004","78.952","0.004","2574.1","0.4","150","2","150","2","","","","","","","","5","P 1","P 1","1","[(S)-Napht(Me)HCNMe3]2[Ni(dmit)2]5,(CH3CN)4","","","- C68 H52 N6 Ni5 S50 -","- C68 H52 N6 Ni5 S50 -","- C68 H52 N6 Ni5 S50 -","1","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","","0.71073","MoKα","","0.0527","0.0318","","","0.0845","0.1184","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329600","7.3392","0.0012","8.8475","0.0013","43.122","0.007","92.729","0.004","91.442","0.005","90.047","0.004","2796","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[(rac)-2][Ni(dmit)2]3","","","- C27 H22 N Ni3 S30 -","- C27 H22 N Ni3 S30 -","- C54 H44 N2 Ni6 S60 -","2","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","x-ray","0.71073","MoKα","","0.0578","0.0495","","","0.1413","0.1459","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329601","7.3491","0.0006","8.8399","0.0007","43.054","0.003","90","","91.682","0.002","90","","2795.8","0.4","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","[(rac)-2][Ni(dmit)2]3, (CH3CN)","","","- C29 H25 N2 Ni3 S30 -","- C29 H25 N2 Ni3 S30 -","- C58 H50 N4 Ni6 S60 -","2","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","x-ray","0.71073","MoKα","","0.0598","0.0524","","","0.1582","0.1638","","","","","","1.088","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329602","4.3305","0.0003","10.0784","0.0006","13.16","0.0007","90","","98.44","0.004","90","","568.14","0.06","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(SP-4-1)-Dichlorido((1E)-N-hydroxypropane-1-imine-kappaN)(1Z)-N- hydroxypropane-1-imine-kappaN)platinum(II)","","- C6 H14 Cl2 N2 O2 Pt -","- C6 H14 Cl2 N2 O2 Pt -","- C12 H28 Cl4 N4 O4 Pt2 -","2","1","","Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Alexander Roller; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Novel Oximato-Bridged Platinum(II) Di- and Trimer(s): Synthetic, Structural, and in Vitro Anticancer Activity Studies","Inorganic Chemistry","2012","51","","7153","7163","10.1021/ic300148e","","","0.71073","MoKα","","0.0427","0.0336","","","0.0631","0.0659","","","","","","1.024","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329603","11.1533","0.0006","10.7869","0.0006","13.1609","0.0007","90","","95.596","0.003","90","","1575.84","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(SP-4-2)-Di-miu-((1Z)-N-oxyethanimine-kappaN, kappaO)bis[chlorido((1E)-N-hydroxyethanimine- kappaN)platinum(II)]","","- C8 H18 Cl2 N4 O4 Pt2 -","- C8 H18 Cl2 N4 O4 Pt2 -","- C32 H72 Cl8 N16 O16 Pt8 -","4","1","","Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Alexander Roller; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Novel Oximato-Bridged Platinum(II) Di- and Trimer(s): Synthetic, Structural, and in Vitro Anticancer Activity Studies","Inorganic Chemistry","2012","51","","7153","7163","10.1021/ic300148e","","","0.71073","MoKα","","0.0409","0.0369","","","0.0921","0.0951","","","","","","1.005","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329604","4.2101","0.0003","6.5803","0.0006","8.7596","0.0007","75.388","0.004","82.707","0.005","78.825","0.004","229.59","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(SP-4-1)-Dichloridobis((1Z)-N-hydroxyethanimine-kappaN)platinum(II)","","- C4 H10 Cl2 N2 O2 Pt -","- C4 H10 Cl2 N2 O2 Pt -","- C4 H10 Cl2 N2 O2 Pt -","1","0.5","","Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Alexander Roller; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Novel Oximato-Bridged Platinum(II) Di- and Trimer(s): Synthetic, Structural, and in Vitro Anticancer Activity Studies","Inorganic Chemistry","2012","51","","7153","7163","10.1021/ic300148e","","","0.71073","MoKα","","0.0185","0.0185","","","0.0407","0.0407","","","","","","1.033","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329605","8.4994","0.0008","9.7473","0.001","13.5101","0.0015","79.033","0.003","79.998","0.003","67.676","0.002","1010.11","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(SP-4-2)-Di-miu-(N-oxypropane-2-imine-kappaN,kappaO) bis[chlorido(N-hydroxypropane-2-imine-kappaN))platinum(II)]","","- C12 H26 Cl2 N4 O4 Pt2 -","- C12 H26 Cl2 N4 O4 Pt2 -","- C24 H52 Cl4 N8 O8 Pt4 -","2","1","","Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Alexander Roller; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Novel Oximato-Bridged Platinum(II) Di- and Trimer(s): Synthetic, Structural, and in Vitro Anticancer Activity Studies","Inorganic Chemistry","2012","51","","7153","7163","10.1021/ic300148e","","","0.71073","MoKα","","0.0345","0.0287","","","0.0704","0.0719","","","","","","1.081","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329606","9.233","0.0003","9.549","0.0003","11.2825","0.0004","85.637","0.003","82.02","0.002","80.387","0.002","969.84","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-Pentanone oximato-bridged platinum(II) trimer","","- C30 H62 Cl2 N6 O6 Pt3 -","- C30 H62 Cl2 N6 O6 Pt3 -","- C30 H62 Cl2 N6 O6 Pt3 -","1","0.5","","Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Alexander Roller; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Novel Oximato-Bridged Platinum(II) Di- and Trimer(s): Synthetic, Structural, and in Vitro Anticancer Activity Studies","Inorganic Chemistry","2012","51","","7153","7163","10.1021/ic300148e","","","0.71073","MoKα","","0.0442","0.0302","","","0.0683","0.0736","","","","","","1.031","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329607","21.592","0.002","11.7139","0.0011","22.171","0.002","90","","94.533","0.002","90","","5590.1","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H37 B Cu N10 O3 -","- C21 H37 B Cu N10 O3 -","- C168 H296 B8 Cu8 N80 O24 -","8","1","","Mukesh Kumar; Natalie A. Dixon; Anna C. Merkle; Matthias Zeller; Nicolai Lehnert; Elizabeth T. Papish","Hydrotris(triazolyl)borate Complexes as Functional Models for Cu Nitrite Reductase: The Electronic Influence of Distal Nitrogens","Inorganic Chemistry","2012","51","","7004","7006","10.1021/ic300160c","","","0.71073","MoKα","","0.0437","0.033","","","0.0853","0.0909","","","","","","1.036","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329608","21.567","0.004","11.712","0.002","22.135","0.004","90","","94.455","0.002","90","","5574.2","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H37 B Cu N10 O3 -","- C21 H37 B Cu N10 O3 -","- C168 H296 B8 Cu8 N80 O24 -","8","1","","Mukesh Kumar; Natalie A. Dixon; Anna C. Merkle; Matthias Zeller; Nicolai Lehnert; Elizabeth T. Papish","Hydrotris(triazolyl)borate Complexes as Functional Models for Cu Nitrite Reductase: The Electronic Influence of Distal Nitrogens","Inorganic Chemistry","2012","51","","7004","7006","10.1021/ic300160c","","","0.71073","MoKα","","0.0463","0.0341","","","0.0861","0.0932","","","","","","1.034","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329609","9.6746","0.0015","17.068","0.003","17.034","0.003","90","","99.57","0.003","90","","2773.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H40 B Cu N7 O2 -","- C24 H40.5 B Cu N7 O2 -","- C96 H162 B4 Cu4 N28 O8 -","4","1","","Mukesh Kumar; Natalie A. Dixon; Anna C. Merkle; Matthias Zeller; Nicolai Lehnert; Elizabeth T. Papish","Hydrotris(triazolyl)borate Complexes as Functional Models for Cu Nitrite Reductase: The Electronic Influence of Distal Nitrogens","Inorganic Chemistry","2012","51","","7004","7006","10.1021/ic300160c","","","0.71073","MoKα","","0.0918","0.0482","","","0.103","0.1202","","","","","","1.011","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329610","18.831","0.003","9.2993","0.0013","18.569","0.003","90","","90","","90","","3251.7","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H45 B Cu N10 O2 -","- C28 H45 B Cu N10 O2 -","- C112 H180 B4 Cu4 N40 O8 -","4","1","","Mukesh Kumar; Natalie A. Dixon; Anna C. Merkle; Matthias Zeller; Nicolai Lehnert; Elizabeth T. Papish","Hydrotris(triazolyl)borate Complexes as Functional Models for Cu Nitrite Reductase: The Electronic Influence of Distal Nitrogens","Inorganic Chemistry","2012","51","","7004","7006","10.1021/ic300160c","","","0.71073","MoKα","","0.0505","0.0434","","","0.1093","0.114","","","","","","1.059","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329611","13.872","0.003","13.658","0.003","7.5695","0.0015","90","","90","","90","","1434.1","0.5","298","2","298","2","","","","","","","","4","C m c a","-C 2ac 2","64","C4 N6 O10 U3 H4","","","- C4 N6 O10 U3 -","- C4 N6 O10 U3 -","- C16 N24 O40 U12 -","4","","","Zhehui Weng; Shuao Wang; Jie Ling; Jessica M. Morrison; Peter C. Burns","(UO2)2[UO4(trz)2](OH)2: A U(VI) Coordination Intermediate between a Tetraoxido Core and a Uranyl Ion with Cation-Cation Interactions","Inorganic Chemistry","2012","51","","7185","7191","10.1021/ic300240s","","","0.71073","MoKα","","0.0273","0.0178","","","0.0422","0.0453","","","","","","1.052","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329612","11.4479","0.0012","14.6692","0.0015","15.4302","0.0015","90","","93.787","0.002","90","","2585.6","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H40 Cl2 N P2 Rh -","- C21 H40 Cl2 N P2 Rh -","- C84 H160 Cl8 N4 P8 Rh4 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Oxygen Reduction Reactions of Monometallic Rhodium Hydride Complexes","Inorganic Chemistry","2012","51","","7192","7201","10.1021/ic300279z","","","0.71073","MoKα","","0.0229","0.0205","","","0.0452","0.0465","","","","","","1.042","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329613","20.1861","0.0008","10.3567","0.0004","12.9174","0.0005","90","","90","","90","","2700.53","0.18","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H39 Cl3 N P2 Rh -","- C21 H39 Cl3 N P2 Rh -","- C84 H156 Cl12 N4 P8 Rh4 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Oxygen Reduction Reactions of Monometallic Rhodium Hydride Complexes","Inorganic Chemistry","2012","51","","7192","7201","10.1021/ic300279z","","","0.71073","MoKα","","0.0203","0.0183","","","0.0442","0.0457","","","","","","1.075","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329614","15.214","0.002","11.4156","0.0018","15.778","0.003","90","","113.796","0.002","90","","2507.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl N O2 P2 Rh -","- C21 H39 Cl N O2 P2 Rh -","- C84 H156 Cl4 N4 O8 P8 Rh4 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Oxygen Reduction Reactions of Monometallic Rhodium Hydride Complexes","Inorganic Chemistry","2012","51","","7192","7201","10.1021/ic300279z","","","0.71073","MoKα","","0.0246","0.0195","","","0.0472","0.0508","","","","","","1.042","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329615","14.7676","0.0019","11.044","0.0014","19.617","0.002","90","","90.952","0.002","90","","3199","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H47 Cl5 N O P2 Rh -","- C24 H47 Cl5 N O P2 Rh -","- C96 H188 Cl20 N4 O4 P8 Rh4 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Oxygen Reduction Reactions of Monometallic Rhodium Hydride Complexes","Inorganic Chemistry","2012","51","","7192","7201","10.1021/ic300279z","","","0.71073","MoKα","","0.0736","0.0609","","","0.1564","0.1624","","","","","","1.22","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329616","13.7934","0.0002","9.4958","0.0001","20.75","0.0003","90","","105.425","0.001","90","","2619.92","0.06","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N0.5 Ni0.25 O P S0.5 -","- C14 H14 N0.5 Ni0.25 O P S0.5 -","- C112 H112 N4 Ni2 O8 P8 S4 -","8","2","","Dimitrios Maganas; J. Krzystek; Eleftherios Ferentinos; Alexander M. Whyte; Neil Robertson; Vassilis Psycharis; Aris Terzis; Frank Neese; Panayotis Kyritsis","Investigating Magnetostructural Correlations in the Pseudooctahedral trans-[NiII{(OPPh2)(EPPh2)N}2(sol)2] Complexes (E = S, Se; sol = DMF, THF) by Magnetometry, HFEPR, and ab Initio Quantum Chemistry","Inorganic Chemistry","2012","51","","7218","7231","10.1021/ic300453y","","","1.54178","CuKα","","0.0529","0.0479","","","0.1315","0.1367","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329617","13.6763","0.0002","9.4076","0.0001","20.7526","0.0003","90","","105.336","0.001","90","","2574.98","0.06","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N0.5 Ni0.25 O P Se0.5 -","- C14 H14 N0.5 Ni0.25 O P Se0.5 -","- C112 H112 N4 Ni2 O8 P8 Se4 -","8","2","","Dimitrios Maganas; J. Krzystek; Eleftherios Ferentinos; Alexander M. Whyte; Neil Robertson; Vassilis Psycharis; Aris Terzis; Frank Neese; Panayotis Kyritsis","Investigating Magnetostructural Correlations in the Pseudooctahedral trans-[NiII{(OPPh2)(EPPh2)N}2(sol)2] Complexes (E = S, Se; sol = DMF, THF) by Magnetometry, HFEPR, and ab Initio Quantum Chemistry","Inorganic Chemistry","2012","51","","7218","7231","10.1021/ic300453y","","","1.54178","CuKα","","0.042","0.0401","","","0.1002","0.1021","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329618","10.7698","0.0009","11.1111","0.001","17.2505","0.0015","84.405","0.001","78.857","0.001","65.717","0.001","1845.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","11104a","","","- C42 H45 B N6 Ni O -","- C42 H45 B N6 Ni O -","- C84 H90 B2 N12 Ni2 O2 -","2","1","","Tapash Deb; Gregory T. Rohde; Victor G. Young; Michael P. Jensen","Aerobic and Hydrolytic Decomposition of Pseudotetrahedral Nickel Phenolate Complexes","Inorganic Chemistry","2012","51","","7257","7270","10.1021/ic300551z","","","0.71073","MoKα","","0.0471","0.0364","","","0.0806","0.0859","","","","","","1.047","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329619","8.803","0.001","29.373","0.003","10.6299","0.0012","90","","91.832","0.001","90","","2747.2","0.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11100","","","- C27 H39 B N6 Ni O -","- C27 H39 B N6 Ni O -","- C108 H156 B4 N24 Ni4 O4 -","4","1","","Tapash Deb; Gregory T. Rohde; Victor G. Young; Michael P. Jensen","Aerobic and Hydrolytic Decomposition of Pseudotetrahedral Nickel Phenolate Complexes","Inorganic Chemistry","2012","51","","7257","7270","10.1021/ic300551z","","","0.71073","MoKα","","0.0803","0.0476","","","0.1056","0.119","","","","","","1.037","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329620","19.6818","0.0018","19.6818","0.0018","13.5412","0.0012","90","","90","","90","","5245.5","0.8","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","11088a","","","- C60 H54 B2 N12 Ni2 O2 -","- C60 H54 B2 N12 Ni2 O2 -","- C240 H216 B8 N48 Ni8 O8 -","4","0.5","","Tapash Deb; Gregory T. Rohde; Victor G. Young; Michael P. Jensen","Aerobic and Hydrolytic Decomposition of Pseudotetrahedral Nickel Phenolate Complexes","Inorganic Chemistry","2012","51","","7257","7270","10.1021/ic300551z","","","0.71073","MoKα","","0.0559","0.0389","","","0.0983","0.1088","","","","","","1.02","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329621","8.053","0.005","30.944","0.019","8.073","0.005","90","","113.82","0.006","90","","1840","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","11087a","","","- C31 H44 B2 N12 Ni2 O3 -","- C31 H44 B2 N12 Ni2 O3 -","- C62 H88 B4 N24 Ni4 O6 -","2","1","","Tapash Deb; Gregory T. Rohde; Victor G. Young; Michael P. Jensen","Aerobic and Hydrolytic Decomposition of Pseudotetrahedral Nickel Phenolate Complexes","Inorganic Chemistry","2012","51","","7257","7270","10.1021/ic300551z","","","0.71073","MoKα","","0.0718","0.0525","","","0.1114","0.1194","","","","","","1.061","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329622","18.05","0.0009","13.7439","0.0007","21.9848","0.0015","90","","111.505","0.001","90","","5074.3","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H56 B2 N12 Ni -","- C60 H56 B2 N12 Ni -","- C240 H224 B8 N48 Ni4 -","4","0.5","","Tapash Deb; Gregory T. Rohde; Victor G. Young; Michael P. Jensen","Aerobic and Hydrolytic Decomposition of Pseudotetrahedral Nickel Phenolate Complexes","Inorganic Chemistry","2012","51","","7257","7270","10.1021/ic300551z","","","0.71073","MoKα","","0.0356","0.0308","","","0.0776","0.0805","","","","","","1.032","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329623","8.2475","0.0002","8.2475","0.0002","14.2734","0.0008","90","","90","","120","","840.82","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs2 Ga6 Ge3 Te14 -","- Cs2 Ga6 Ge3 Te14 -","- Cs2 Ga6 Ge3 Te14 -","1","0.0833333","","Cheng-Yi Zhang; Liu-Jiang Zhou; Ling Chen","Quaternary Tellurides with Different Valent Ge Centers: Cs2Ge3M6Te14 (M = Ga, In)","Inorganic Chemistry","2012","51","","7007","7009","10.1021/ic300599q","","","0.71073","MoKα","","0.0218","0.0212","","","0.0472","0.0475","","","","","","1.067","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329624","8.5404","0.0002","8.5404","0.0002","14.6766","0.0008","90","","90","","120","","927.07","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs2 Ge3 In6 Te14 -","- Cs2 Ge3 In6 Te14 -","- Cs2 Ge3 In6 Te14 -","1","0.0833333","","Cheng-Yi Zhang; Liu-Jiang Zhou; Ling Chen","Quaternary Tellurides with Different Valent Ge Centers: Cs2Ge3M6Te14 (M = Ga, In)","Inorganic Chemistry","2012","51","","7007","7009","10.1021/ic300599q","","","0.71073","MoKα","","0.0245","0.0234","","","0.05","0.0507","","","","","","1.069","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329625","11.4576","0.001","13.4757","0.0015","15.9875","0.0015","90","","97.502","0.005","90","","2447.3","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 B F4 N4 O3 Re -","- C22 H26 B F4 N4 O3 Re -","- C88 H104 B4 F16 N16 O12 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.0535","0.0322","","","0.0653","0.0726","","","","","","1.033","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329626","13.355","0.0015","13.2081","0.0014","14.7562","0.0018","90","","105.347","0.006","90","","2510.1","0.5","150","0.5","150","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 B0.95 Br0.05 F3.8 N4 O3 Re -","- C23 H28 B0.95 Br0.05 F3.8 N4 O3 Re -","- C92 H112 B3.8 Br0.2 F15.2 N16 O12 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.0465","0.032","","","0.0697","0.0748","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329627","13.7247","0.0014","11.1284","0.001","18.141","0.002","90","","109.392","0.003","90","","2613.6","0.5","95","0.5","95","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 B0.96 Br0.04 F3.84 N4 O3 Re -","- C24 H30 B0.9592 Br0.044 F3.8368 N4 O3 Re -","- C96 H120 B3.8368 Br0.176 F15.3472 N16 O12 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.0451","0.0285","","","0.0564","0.0602","","","","","","1.048","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329628","11.6155","0.001","12.964","0.0014","15.8176","0.0011","90","","97.341","0.006","90","","2362.3","0.4","95","0.5","95","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 B F4 N5 O3 Re -","- C21 H25 B F4 N5 O3 Re -","- C84 H100 B4 F16 N20 O12 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.064","0.032","","","0.06","0.067","","","","","","1.055","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329629","11.3847","0.0009","13.3112","0.001","15.7988","0.0015","90","","97.843","0.006","90","","2371.8","0.3","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B F4 N4 O4 Re -","- C21 H24 B F4 N4 O4 Re -","- C84 H96 B4 F16 N16 O16 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.053","0.033","","","0.069","0.075","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329630","8.9242","0.0005","21.862","0.002","12.3282","0.001","90","","95.358","0.004","90","","2394.7","0.3","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 B F4 N4 O3 Re -","- C22 H26 B F4 N4 O3 Re -","- C88 H104 B4 F16 N16 O12 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.05","0.031","","","0.068","0.074","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329631","11.404","0.001","17.724","0.002","12.3056","0.0011","90","","98.914","0.005","90","","2457.2","0.4","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 B0.97 Br0.03 F3.89 N4 O3 Re -","- C23 H28 B0.9727 Br0.0273 F3.8908 N4 O3 Re -","- C92 H112 B3.8908 Br0.1092 F15.5632 N16 O12 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.0473","0.0309","","","0.0634","0.0683","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329632","12.5348","0.001","10.8431","0.0009","19.692","0.002","90","","105.942","0.004","90","","2573.5","0.4","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B F4 N4 O3 Re -","- C24 H30 B F4 N4 O3 Re -","- C96 H120 B4 F16 N16 O12 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.0437","0.0301","","","0.0652","0.0695","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329633","12.401","0.002","14.221","0.003","13.63","0.002","90","","100.75","0.009","90","","2361.5","0.7","95","0.5","95","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 B F4 N5 O3 Re -","- C21 H25 B F4 N5 O3 Re -","- C84 H100 B4 F16 N20 O12 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.0497","0.0372","","","0.0913","0.0968","","","","","","1.049","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329634","15.6441","0.0015","9.3838","0.001","16.1555","0.0012","90","","91.294","0.004","90","","2371","0.4","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B F4 N4 O4 Re -","- C21 H24 B F4 N4 O4 Re -","- C84 H96 B4 F16 N16 O16 Re4 -","4","1","","Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli","New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes","Inorganic Chemistry","2012","51","","7271","7283","10.1021/ic300625n","","","0.71073","MoKα","","0.04","0.029","","","0.065","0.069","","","","","","1.032","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329635","9.2349","0.0006","16.7867","0.0011","26.6004","0.0017","90","","94.078","0.001","90","","4113.2","0.5","293","2","293","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B Cl2 F4 Mo2 N O P2 S -","- C41 H36 B Cl2 F4 Mo2 N O P2 S -","- C164 H144 B4 Cl8 F16 Mo8 N4 O4 P8 S4 -","4","1","","Fernanda Cimadevilla; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio","Reactions of the Tetrafluoroborate Complex [Mo2Cp2(κ2-F2BF2)(μ-PPh2)2(CO)]BF4 with Mono- and Bidentate Ligands Having E-H bonds (E = O, S, Se, N, P)","Inorganic Chemistry","2012","51","","7284","7295","10.1021/ic300626y","","","0.71073","MoKα","","0.1306","0.0567","","","0.1315","0.166","","","","","","0.942","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329636","8.4411","0.0011","11.2137","0.0015","14.493","0.002","90","","91.529","0.009","90","","1371.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H36 Cl4 N2 O6 Sn2 -","- C18 H36 Cl4 N2 O6 Sn2 -","- C36 H72 Cl8 N4 O12 Sn4 -","2","1","","Jessica C. Avery; Margaret A. Hanson; Rolfe H. Herber; Kamila J. Bladek; Paul A. Rupar; Israel Nowik; Yining Huang; Kim M. Baines","Cationic Cryptand Complexes of Tin(II)","Inorganic Chemistry","2012","51","","7306","7316","10.1021/ic3006713","","","0.71073","MoKα","","0.1004","0.055","","","0.1115","0.1318","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329637","8.4816","0.0017","11.541","0.002","14.656","0.003","90","","90.21","0.03","90","","1434.6","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H36 Br4 N2 O6 Sn2 -","- C18 H36 Br4 N2 O6 Sn2 -","- C36 H72 Br8 N4 O12 Sn4 -","2","1","","Jessica C. Avery; Margaret A. Hanson; Rolfe H. Herber; Kamila J. Bladek; Paul A. Rupar; Israel Nowik; Yining Huang; Kim M. Baines","Cationic Cryptand Complexes of Tin(II)","Inorganic Chemistry","2012","51","","7306","7316","10.1021/ic3006713","","","0.71073","MoKα","","0.0416","0.0373","","","0.0953","0.1129","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329638","12.7912","0.0012","30.622","0.003","18.8561","0.0014","90","","125.4","0.005","90","","6020.4","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71 F12 N4 O24 S4 Sn2 -","- C40 H71 F12 N4 O24 S4 Sn2 -","- C160 H284 F48 N16 O96 S16 Sn8 -","4","1","","Jessica C. Avery; Margaret A. Hanson; Rolfe H. Herber; Kamila J. Bladek; Paul A. Rupar; Israel Nowik; Yining Huang; Kim M. Baines","Cationic Cryptand Complexes of Tin(II)","Inorganic Chemistry","2012","51","","7306","7316","10.1021/ic3006713","","","0.71073","MoKα","","0.1004","0.0447","","","0.0747","0.094","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329639","18.394","0.005","11.734","0.003","21.344","0.006","90","","94.664","0.003","90","","4592","2","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N O4 V -","- C24 H30 N O4 V -","- C192 H240 N8 O32 V8 -","8","2","","Guoqi Zhang; Brian L. Scott; Ruilian Wu; L. A. Pete Silks; Susan K. Hanson","Aerobic Oxidation Reactions Catalyzed by Vanadium Complexes of Bis(Phenolate) Ligands","Inorganic Chemistry","2012","51","","7354","7361","10.1021/ic3007525","","","0.71073","MoKα","","0.1654","0.0666","","","0.1517","0.1978","","","","","","1.005","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329640","10.437","0.002","10.557","0.002","12.651","0.003","98.926","0.003","110.301","0.002","96.924","0.003","1268.4","0.5","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N4 O8 V2 -","- C52 H76 N4 O8 V2 -","- C52 H76 N4 O8 V2 -","1","0.5","","Guoqi Zhang; Brian L. Scott; Ruilian Wu; L. A. Pete Silks; Susan K. Hanson","Aerobic Oxidation Reactions Catalyzed by Vanadium Complexes of Bis(Phenolate) Ligands","Inorganic Chemistry","2012","51","","7354","7361","10.1021/ic3007525","","","0.71073","MoKα","","0.0771","0.0503","","","0.121","0.1352","","","","","","1.102","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329641","20.6971","0.0018","9.9614","0.0009","32.738","0.003","90","","90","","90","","6749.7","1","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H50 N O4 V -","- C36 H50 N O4 V -","- C288 H400 N8 O32 V8 -","8","1","","Guoqi Zhang; Brian L. Scott; Ruilian Wu; L. A. Pete Silks; Susan K. Hanson","Aerobic Oxidation Reactions Catalyzed by Vanadium Complexes of Bis(Phenolate) Ligands","Inorganic Chemistry","2012","51","","7354","7361","10.1021/ic3007525","","","0.71073","MoKα","","0.1025","0.059","","","0.1436","0.16","","","","","","1.384","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329642","13.606","0.002","19.171","0.003","14.294","0.002","90","","95.287","0.002","90","","3712.6","1","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 N O5 V -","- C41 H52 N O5 V -","- C164 H208 N4 O20 V4 -","4","1","","Guoqi Zhang; Brian L. Scott; Ruilian Wu; L. A. Pete Silks; Susan K. Hanson","Aerobic Oxidation Reactions Catalyzed by Vanadium Complexes of Bis(Phenolate) Ligands","Inorganic Chemistry","2012","51","","7354","7361","10.1021/ic3007525","","","0.71073","MoKα","","0.1042","0.0484","","","0.0922","0.1099","","","","","","1.049","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329643","8.9023","0.0006","14.634","0.001","31.131","0.002","90","","90.479","0.001","90","","4055.5","0.5","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 N2 O5 V -","- C39 H59 N2 O4 V -","- C156 H236 N8 O16 V4 -","4","1","","Guoqi Zhang; Brian L. Scott; Ruilian Wu; L. A. Pete Silks; Susan K. Hanson","Aerobic Oxidation Reactions Catalyzed by Vanadium Complexes of Bis(Phenolate) Ligands","Inorganic Chemistry","2012","51","","7354","7361","10.1021/ic3007525","","","0.71073","MoKα","","0.0804","0.0671","","","0.1799","0.1831","","","","","","1.922","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329644","17.1191","0.0008","10.9338","0.0005","19.5126","0.0009","90","","112.142","0.001","90","","3383","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H49.16 N O4 V -","- C36 H49.16 N O4 V -","- C144 H196.64 N4 O16 V4 -","4","1","","Guoqi Zhang; Brian L. Scott; Ruilian Wu; L. A. Pete Silks; Susan K. Hanson","Aerobic Oxidation Reactions Catalyzed by Vanadium Complexes of Bis(Phenolate) Ligands","Inorganic Chemistry","2012","51","","7354","7361","10.1021/ic3007525","","","1.54178","CuKα","","0.0395","0.0391","","","0.1009","0.1012","","","","","","1.063","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329645","3.779","0.0001","3.779","0.0001","5.5111","0.0003","90","","90","","90","","78.703","0.005","293","2","293","2","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","iron selenide","","- Fe Se -","- Fe Se -","- Fe2 Se2 -","2","0.125","","Fabian Nitsche; Til Goltz; Hans-Henning Klauss; Anna Isaeva; Ulrike Müller; Walter Schnelle; Paul Simon; Thomas Doert; Michael Ruck","Room-Temperature Synthesis, Hydrothermal Recrystallization, and Properties of Metastable Stoichiometric FeSe","Inorganic Chemistry","2012","51","","7370","7376","10.1021/ic300798p","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329646","13.3028","0.0003","14.1505","0.0004","14.5614","0.0005","67.05","0.001","89.343","0.002","80.572","0.002","2485.85","0.13","123","2","123","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C80 H126 Gd2 N14 Ni2 O34 Ru2 -","- C80 H126 Gd2 N14 Ni2 O34 Ru2 -","- C80 H126 Gd2 N14 Ni2 O34 Ru2 -","1","0.5","","María A. Palacios; Antonio J. Mota; José Ruiz; Mikko M. Hänninen; Reijo Sillanpää; Enrique Colacio","Diphenoxo-Bridged NiIILnIII Dinuclear Complexes as Platforms for Heterotrimetallic (LnIIINiII)2RuIII Systems with a High-Magnetic-Moment Ground State: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","7010","7012","10.1021/ic3008443","","x-ray","0.71073","MoKα","","0.0466","0.0385","","","0.0964","0.1015","","","","","","1.029","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329647","13.3028","0.0003","14.1505","0.0004","14.5614","0.0005","67.05","0.001","89.343","0.002","80.572","0.002","2485.85","0.13","123","2","123","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C80 H126 Dy2 N14 Ni2 O34 Ru2 -","- C80 H126 Dy2 N14 Ni2 O34 Ru2 -","- C80 H126 Dy2 N14 Ni2 O34 Ru2 -","1","0.5","","María A. Palacios; Antonio J. Mota; José Ruiz; Mikko M. Hänninen; Reijo Sillanpää; Enrique Colacio","Diphenoxo-Bridged NiIILnIII Dinuclear Complexes as Platforms for Heterotrimetallic (LnIIINiII)2RuIII Systems with a High-Magnetic-Moment Ground State: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","7010","7012","10.1021/ic3008443","","x-ray","0.71073","MoKα","","0.0799","0.0636","","","0.1623","0.1735","","","","","","1.042","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329648","19.1899","0.0016","20.1832","0.0017","23.542","0.002","86.118","0.002","74.065","0.002","67.788","0.002","8110.4","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H108 Au10 O13 -","- C156 H108 Au10 O13 -","- C312 H216 Au20 O26 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Stanislav I. Selivanov; Janne Jänis; Matti Haukka; Tapani Pakkanen; Sergey P. Tunik; Pi-Tai Chou","Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives","Inorganic Chemistry","2012","51","","7392","7403","10.1021/ic300856h","","","0.71073","MoKα","","0.0577","0.0423","","","0.1181","0.1265","","","","","","1.129","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329649","13.8514","0.0005","16.7051","0.0006","29.317","0.0011","90","","90","","90","","6783.6","0.4","100","2","100","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C111 H120 Au8 F18 O7 P7 -","- C111 H120 Au8 F18 O7 P7 -","- C222 H240 Au16 F36 O14 P14 -","2","0.5","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Stanislav I. Selivanov; Janne Jänis; Matti Haukka; Tapani Pakkanen; Sergey P. Tunik; Pi-Tai Chou","Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives","Inorganic Chemistry","2012","51","","7392","7403","10.1021/ic300856h","","","0.71073","MoKα","","0.0646","0.0603","","","0.1406","0.1422","","","","","","1.113","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329650","14.9501","0.0007","28.1633","0.0012","18.2359","0.0008","90","","110.183","0.002","90","","7206.6","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C145.5 H177 Au8 F12 O10.5 P6 -","- C145.5 H177 Au8 F12 O10.5 P6 -","- C291 H354 Au16 F24 O21 P12 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Stanislav I. Selivanov; Janne Jänis; Matti Haukka; Tapani Pakkanen; Sergey P. Tunik; Pi-Tai Chou","Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives","Inorganic Chemistry","2012","51","","7392","7403","10.1021/ic300856h","","","0.71073","MoKα","","0.0404","0.03","","","0.0549","0.0572","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329651","4.0034","0.0004","16.9343","0.0014","23.2483","0.0019","90","","90","","90","","1576.1","0.2","293","","293","","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C7 H10 In3 N Se5 -","- C7 H10 In3 N Se5 -","- C28 H40 In12 N4 Se20 -","4","1","","Sarah J. Ewing; Anthony V. Powell; Paz Vaqueiro","[C7H10N][In3Se5]: A Layered Selenide with Two Indium Coordination Environments","Inorganic Chemistry","2012","51","","7404","7409","10.1021/ic300861h","","","0.71073","MoKα","","0.0851","0.0723","","0.0819","0.0753","0.0735","","","","","","1.1139","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329652","3.999","0.0004","16.7858","0.0015","23.93","0.002","90","","94.728","0.004","90","","1600.9","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 In3 N Se5 -","- C7 H10 In3 N Se5 -","- C28 H40 In12 N4 Se20 -","4","1","","Sarah J. Ewing; Anthony V. Powell; Paz Vaqueiro","[C7H10N][In3Se5]: A Layered Selenide with Two Indium Coordination Environments","Inorganic Chemistry","2012","51","","7404","7409","10.1021/ic300861h","","","0.71073","MoKα","","0.1031","0.0655","","0.0545","0.0482","0.0465","","","","","","1.0579","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329653","9.9271","0.0005","10.8259","0.0004","12.4851","0.0007","97.652","0.003","101.911","0.002","95.374","0.003","1291","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 O7 Zn2 -","- C27 H28 O7 Zn2 -","- C54 H56 O14 Zn4 -","2","1","","Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Anna Rola-Noworyta; Janusz Lewiński","Oxozinc Carboxylate Complexes: A New Synthetic Approach and the Carboxylate Ligand Effect on the Noncovalent-Interactions-Driven Self-Assembly","Inorganic Chemistry","2012","51","","7410","7414","10.1021/ic300864n","","","0.71073","MoKα","","0.0397","0.0332","","","0.0673","0.0698","","","","","","1.082","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329654","20.7641","0.0008","14.8559","0.0004","25.5201","0.0009","90","","102.051","0.001","90","","7698.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Cl4 O13 Zn4 -","- C80 H58 Cl4 O13 Zn4 -","- C320 H232 Cl16 O52 Zn16 -","4","1","","Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Anna Rola-Noworyta; Janusz Lewiński","Oxozinc Carboxylate Complexes: A New Synthetic Approach and the Carboxylate Ligand Effect on the Noncovalent-Interactions-Driven Self-Assembly","Inorganic Chemistry","2012","51","","7410","7414","10.1021/ic300864n","","","0.71073","MoKα","","0.094","0.0552","","","0.131","0.1644","","","","","","1.061","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329655","23.034","0.005","23.034","0.005","23.034","0.005","90","","90","","90","","12221","5","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C48 H42 O13 Zn4 -","- C48 H42 O13 Zn4 -","- C384 H336 O104 Zn32 -","8","0.333333","","Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Anna Rola-Noworyta; Janusz Lewiński","Oxozinc Carboxylate Complexes: A New Synthetic Approach and the Carboxylate Ligand Effect on the Noncovalent-Interactions-Driven Self-Assembly","Inorganic Chemistry","2012","51","","7410","7414","10.1021/ic300864n","","","0.71073","MoKα","","0.0677","0.0474","","","0.1116","0.1189","","","","","","1.102","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329656","14.1301","0.0008","16.5959","0.0005","30.8969","0.0016","90","","101.998","0.002","90","","7087.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 O13 S6 Zn4 -","- C48 H42 O13 S6 Zn4 -","- C192 H168 O52 S24 Zn16 -","4","1","","Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Anna Rola-Noworyta; Janusz Lewiński","Oxozinc Carboxylate Complexes: A New Synthetic Approach and the Carboxylate Ligand Effect on the Noncovalent-Interactions-Driven Self-Assembly","Inorganic Chemistry","2012","51","","7410","7414","10.1021/ic300864n","","","0.71073","MoKα","","0.0952","0.0577","","","0.1298","0.1409","","","","","","0.931","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329657","6.466","0.004","15.816","0.009","16.644","0.01","84.229","0.012","78.955","0.008","86.853","0.009","1661","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sodium neptunyl(V/VI) borate perchlorate hydrate","","","- B15 Cl Na Np4 O42.75 -","- B15 Cl Na Np4 O42.75 -","- B30 Cl2 Na2 Np8 O85.5 -","2","1","","Shuao Wang; Juan Diwu; Evgeny V. Alekseev; Laurent J. Jouffret; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Cation-Cation Interactions between Neptunyl(VI) Units","Inorganic Chemistry","2012","51","","7016","7018","10.1021/ic3009305","","","0.71073","MoKα","","0.1222","0.0579","","","0.1025","0.1222","","","","","","0.959","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329658","14.47","0.003","18.537","0.004","37.982","0.008","90","","90","","90","","10188","4","293","2","100","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C120 H188.5 Cu8 Mn12 N24 O137.5 -","- C120 H56 Cu8 Mn12 N24 O137.652 -","- C240 H112 Cu16 Mn24 N48 O275.304 -","2","0.5","","Jesús Ferrando-Soria; Thais Grancha; Jorge Pasán; Catalina Ruiz-Pérez; Laura Cañadillas-Delgado; Yves Journaux; Miguel Julve; Joan Cano; Francesc Lloret; Emilio Pardo","Solid-State Aggregation of Metallacyclophane-Based MnIICuII One-Dimensional Ladders","Inorganic Chemistry","2012","51","","7019","7021","10.1021/ic300953n","","x-ray","0.738","synchrotron","","0.1094","0.1083","","","0.3493","0.3521","","","","","","1.725","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329659","10.546","0.002","37.161","0.007","19.459","0.003","90","","122.469","0.009","90","","6434","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cu4 Mn4 N8 O47 -","- C40 H16 Cu4 Mn4 N8 O47 -","- C160 H64 Cu16 Mn16 N32 O188 -","4","1","","Jesús Ferrando-Soria; Thais Grancha; Jorge Pasán; Catalina Ruiz-Pérez; Laura Cañadillas-Delgado; Yves Journaux; Miguel Julve; Joan Cano; Francesc Lloret; Emilio Pardo","Solid-State Aggregation of Metallacyclophane-Based MnIICuII One-Dimensional Ladders","Inorganic Chemistry","2012","51","","7019","7021","10.1021/ic300953n","","x-ray","0.738","synchrotron","","0.0616","0.0577","","","0.1393","0.1431","","","","","","1.076","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329660","7.9496","0.0012","5.0328","0.0008","9.3591","0.0015","90","","110.797","0.003","90","","350.05","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","sodium guanidinate","","- C H4 N3 Na -","- C H4 N3 Na -","- C4 H16 N12 Na4 -","4","1","","Peter Klaus Sawinski; Richard Dronskowski","Solvothermal Synthesis, Crystal Growth, and Structure Determination of Sodium and Potassium Guanidinate","Inorganic Chemistry","2012","51","","7425","7430","10.1021/ic301005x","","","0.71073","MoKα","","0.0404","0.0329","","","0.0737","0.0781","","","","","","1.117","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329661","7.12","0.0009","6.9385","0.0009","30.404","0.004","90","","94.626","0.002","90","","1497.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","potassium guanidinate","","- C H4 K N3 -","- C H4 K N3 -","- C16 H64 K16 N48 -","16","4","","Peter Klaus Sawinski; Richard Dronskowski","Solvothermal Synthesis, Crystal Growth, and Structure Determination of Sodium and Potassium Guanidinate","Inorganic Chemistry","2012","51","","7425","7430","10.1021/ic301005x","","","0.71073","MoKα","","0.0499","0.0399","","","0.0919","0.0967","","","","","","0.974","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329662","10.4012","0.0004","17.5199","0.0007","26.3854","0.001","90","","90","","90","","4808.2","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H46 Cl6 Hg3 N6 -","- C48 H46 Cl6 Hg3 N6 -","- C192 H184 Cl24 Hg12 N24 -","4","1","","Mari Ikeda; Shunsuke Kuwahara; Shim Sung Lee; Yoichi Habata","Anion-Controlled Circular Dichroism Spectral Changes in Hg2+ Complexes with a Chiral Bidentate Ligand","Inorganic Chemistry","2012","51","","7022","7024","10.1021/ic301140z","","","0.71073","MoKα","","0.0661","0.0475","","","0.0858","0.0905","","","","","","1.202","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329663","12.16","0.0011","26.468","0.003","26.331","0.002","90","","90","","90","","8474.7","1.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C41 H36 O24 S2 Zn4 -","- C41 H20 O24 S2 Zn4 -","- C164 H80 O96 S8 Zn16 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0682","0.048","","","0.1228","0.1278","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329664","12.383","0.0011","26.271","0.002","26.278","0.002","90","","90","","90","","8548.6","1.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C43 H38 N2 O24 Zn4 -","- C43 H34 N2 O24 Zn4 -","- C172 H136 N8 O96 Zn16 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0767","0.0484","","","0.1226","0.1288","","","","","","0.994","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329665","12.31","0.0007","26.25","0.0014","26.341","0.0014","90","","90","","90","","8511.8","0.8","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C45 H42 N2 O24 Zn4 -","- C45 H38 N2 O24 Zn4 -","- C180 H152 N8 O96 Zn16 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0605","0.0377","","","0.0863","0.0892","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329666","12.5059","0.0003","26.1708","0.0006","26.2509","0.0005","90","","90","","90","","8591.6","0.3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C41 H36 O24 Zn4 -","- C41 H30 O24 Zn4 -","- C164 H120 O96 Zn16 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0869","0.0633","","","0.1977","0.216","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329667","19.0396","0.0017","19.0396","0.0017","23.563","0.002","90","","90","","90","","8541.7","1.3","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H28 O24 Zn4 -","- C37 H20 O24 Zn4 -","- C148 H80 O96 Zn16 -","4","0.25","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.1016","0.0707","","","0.2075","0.2251","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329668","21.553","0.002","21.553","0.002","40.781","0.005","90","","90","","90","","18944","3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C41 H35 N O24 Zn4 -","- C41 H20 N O24 Zn4 -","- C328 H160 N8 O192 Zn32 -","8","1","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.1458","0.0521","","","0.0678","0.0731","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329669","30.464","0.0013","31.004","0.0013","18.902","0.0008","90","","90","","90","","17853","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C98 H102 N4 O50 Zn9 -","- C98 H79 N4 O50 Zn9 -","- C392 H316 N16 O200 Zn36 -","4","1","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.108","0.0645","","","0.1402","0.1528","","","","","","0.943","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329670","21.883","0.002","21.883","0.002","40.184","0.0017","90","","90","","90","","19243","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 N2 O53 Zn10 -","- C84 H40 N2 O53 Zn10 -","- C336 H160 N8 O212 Zn40 -","4","1","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0812","0.0487","","","0.0896","0.0949","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329671","27.033","0.004","27.033","","44.096","0.006","90","","90","","90","","32225","6","293","2","293","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C111 H92 N8 O100 Zn16 -","- C111 H60 O76 Zn16 -","- C444 H240 O304 Zn64 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.1042","0.0571","","","0.1143","0.1236","","","","","","0.972","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329672","13.7292","0.0003","13.3179","0.0002","18.8043","0.0003","90","","126.324","0.001","90","","2770.13","0.09","180","2","180","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B2 Cl F8 N5 O1.5 Ru -","- C20 H20 B2 Cl F8 N5 O1.5 Ru -","- C80 H80 B8 Cl4 F32 N20 O6 Ru4 -","4","1","","Benoit Cormary; Sonia Ladeira; Kane Jacob; Pascal G. Lacroix; Theo Woike; Dominik Schaniel; Isabelle Malfant","Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes","Inorganic Chemistry","2012","51","","7492","7501","10.1021/ic202702r","","x-ray","0.71073","MoKα","","0.1018","0.0645","","","0.2009","0.2427","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329673","13.8031","0.0003","12.653","0.0003","18.2544","0.0003","90","","126.832","0.001","90","","2551.78","0.1","180","2","180","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Br2 Cl N5 O2.5 Ru -","- C20 H22 Br2 Cl N5 O2.5 Ru -","- C80 H88 Br8 Cl4 N20 O10 Ru4 -","4","1","","Benoit Cormary; Sonia Ladeira; Kane Jacob; Pascal G. Lacroix; Theo Woike; Dominik Schaniel; Isabelle Malfant","Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes","Inorganic Chemistry","2012","51","","7492","7501","10.1021/ic202702r","","x-ray","0.71073","MoKα","","0.0523","0.0447","","","0.1236","0.1312","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329674","20.924","0.005","12.799","0.006","20.172","0.007","90","","150.243","0.009","90","","2681.2","1.8","180","2","180","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cl3 N5 O5 Ru -","- C20 H28 Cl3 N5 O5 Ru -","- C80 H112 Cl12 N20 O20 Ru4 -","4","0.5","","Benoit Cormary; Sonia Ladeira; Kane Jacob; Pascal G. Lacroix; Theo Woike; Dominik Schaniel; Isabelle Malfant","Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes","Inorganic Chemistry","2012","51","","7492","7501","10.1021/ic202702r","","x-ray","0.71073","MoKα","","0.0278","0.0251","","","0.0622","0.0641","","","","","","1.059","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329675","16.814","0.005","12.842","0.005","26.396","0.005","90","0.005","90","0.005","90","0.005","5700","3","180","2","180","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br F12 N5 O P2 Ru -","- C20 H20 Br F12 N5 O P2 Ru -","- C160 H160 Br8 F96 N40 O8 P16 Ru8 -","8","1","","Benoit Cormary; Sonia Ladeira; Kane Jacob; Pascal G. Lacroix; Theo Woike; Dominik Schaniel; Isabelle Malfant","Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes","Inorganic Chemistry","2012","51","","7492","7501","10.1021/ic202702r","","x-ray","0.71073","MoKα","","0.0468","0.0288","","","0.0612","0.0676","","","","","","1.006","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329676","8.9771","0.0005","16.2944","0.0008","12.6972","0.0007","90","","95.956","0.004","90","","1847.28","0.17","180","2","180","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl2 F6 N4 O P Ru -","- C15 H11 Cl2 F6 N4 O P Ru -","- C60 H44 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Benoit Cormary; Sonia Ladeira; Kane Jacob; Pascal G. Lacroix; Theo Woike; Dominik Schaniel; Isabelle Malfant","Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes","Inorganic Chemistry","2012","51","","7492","7501","10.1021/ic202702r","","x-ray","0.71073","MoKα","","0.0453","0.0253","","","0.0547","0.0589","","","","","","0.95","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329677","12.7814","0.0006","12.7814","0.0006","13.5912","0.0012","90","","90","","120","","1922.8","0.2","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H34 Cu3 N6 O11 -","- C18 H32 Cu3 N6 O11 -","- C54 H96 Cu9 N18 O33 -","3","1","","Chihiro Kachi-Terajima; Megumi Ishii; Toshiaki Saito; Chikahide Kanadani; Takunori Harada; Reiko Kuroda","Homochiral 1D Helical Chain Based on an Achiral Cu(II) Complex","Inorganic Chemistry","2012","51","","7502","7507","10.1021/ic202708e","","","0.71073","MoKα","","0.0252","0.0241","","","0.064","0.0643","","","","","","1.061","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329678","7.541","0.002","9.18","0.003","22.269","0.007","90","","98.7993","0.0013","90","","1523.5","0.8","153.1","","153.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N4 O4 Pt S2 -","- C14 H8 N4 O4 Pt S2 -","- C56 H32 N16 O16 Pt4 S8 -","4","1","","Atsushi Kobayashi; Yuki Fukuzawa; Ho-Chol Chang; Masako Kato","Vapor-Controlled Linkage Isomerization of a Vapochromic Bis(thiocyanato)platinum(II) Complex: New External Stimuli To Control Isomerization Behavior","Inorganic Chemistry","2012","51","","7508","7519","10.1021/ic202734f","","","0.7107","MoKα","","","0.0439","","","","0.0882","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329679","6.893","0.003","14.818","0.007","16.875","0.009","96.599","0.008","101.44","0.008","94.349","0.008","1669.6","1.4","150.1","","150.1","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N8 O8 Pt S2 -","- C26 H36 N8 O8 Pt S2 -","- C52 H72 N16 O16 Pt2 S4 -","2","1","","Atsushi Kobayashi; Yuki Fukuzawa; Ho-Chol Chang; Masako Kato","Vapor-Controlled Linkage Isomerization of a Vapochromic Bis(thiocyanato)platinum(II) Complex: New External Stimuli To Control Isomerization Behavior","Inorganic Chemistry","2012","51","","7508","7519","10.1021/ic202734f","","","0.7107","MoKα","","","0.067","","","","0.181","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329680","16.411","0.006","12.449","0.005","12.291","0.005","90","","100.003","0.004","90","","2472.9","1.7","140","1","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B Cl4 F6 N4 Ni -","- C20 H17 B Cl4 F6 N4 Ni -","- C80 H68 B4 Cl16 F24 N16 Ni4 -","4","1","","Jamie L. Manson; Adora G. Baldwin; Brian L. Scott; Jesper Bendix; Rico E. Del Sesto; Paul A. Goddard; Yoshimitsu Kohama; Hope E. Tran; Saman Ghannadzadeh; John Singleton; Tom Lancaster; Johannes S. Möller; Stephen J. Blundell; Francis L. Pratt; Vivien S. Zapf; Jinhee Kang; Changhoon Lee; Myung-Hwan Whangbo; Christopher Baines","[Ni(HF2)(3-Clpy)4]BF4 (py = pyridine): Evidence for Spin Exchange Along Strongly Distorted F...H...F-Bridges in a One-Dimensional Polymeric Chain","Inorganic Chemistry","2012","51","","7520","7528","10.1021/ic300111k","","","0.71073","MoKα","","0.0553","0.0393","","","0.0957","0.1011","","","","","","1.322","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329681","7.2828","0.0003","7.0847","0.0002","17.8107","0.0007","90","","100.459","0.002","90","","903.7","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Dy F O8 -","- C4 H10 Dy F O8 -","- C16 H40 Dy4 F4 O32 -","4","1","","Qi Zhou; Fen Yang; Dan Liu; Yu Peng; Guanghua Li; Zhan Shi; Shouhua Feng","Synthesis, Structures, and Magnetic Properties of Three Fluoride-Bridged Lanthanide Compounds: Effect of Bridging Fluoride Ions on Magnetic Behaviors","Inorganic Chemistry","2012","51","","7529","7536","10.1021/ic300125y","","","0.71073","MoKα","","0.0474","0.0369","","","0.0896","0.0943","","","","","","1.017","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329682","9.2816","0.0005","9.6712","0.0005","9.0321","0.0005","90","","117.285","0.003","90","","720.55","0.07","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H12 F2 O12 Tb2 -","- C8 H12 F2 O12 Tb2 -","- C16 H24 F4 O24 Tb4 -","2","0.25","","Qi Zhou; Fen Yang; Dan Liu; Yu Peng; Guanghua Li; Zhan Shi; Shouhua Feng","Synthesis, Structures, and Magnetic Properties of Three Fluoride-Bridged Lanthanide Compounds: Effect of Bridging Fluoride Ions on Magnetic Behaviors","Inorganic Chemistry","2012","51","","7529","7536","10.1021/ic300125y","","","0.71073","MoKα","","0.0296","0.0286","","","0.0781","0.0784","","","","","","1.272","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329683","9.2555","0.0004","9.6731","0.0004","9.019","0.0003","90","","117.144","0.002","90","","718.53","0.05","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H12 Dy2 F2 O12 -","- C8 H12 Dy2 F2 O12 -","- C16 H24 Dy4 F4 O24 -","2","0.25","","Qi Zhou; Fen Yang; Dan Liu; Yu Peng; Guanghua Li; Zhan Shi; Shouhua Feng","Synthesis, Structures, and Magnetic Properties of Three Fluoride-Bridged Lanthanide Compounds: Effect of Bridging Fluoride Ions on Magnetic Behaviors","Inorganic Chemistry","2012","51","","7529","7536","10.1021/ic300125y","","","0.71073","MoKα","","0.0211","0.0195","","","0.0436","0.0441","","","","","","1.151","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329684","10.8654","0.0002","6.7577","0.0002","11.3143","0.0003","90","","95.764","0.002","90","","826.55","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 O16 Tb2 -","- C8 H18 O16 Tb2 -","- C16 H36 O32 Tb4 -","2","0.5","","Qi Zhou; Fen Yang; Dan Liu; Yu Peng; Guanghua Li; Zhan Shi; Shouhua Feng","Synthesis, Structures, and Magnetic Properties of Three Fluoride-Bridged Lanthanide Compounds: Effect of Bridging Fluoride Ions on Magnetic Behaviors","Inorganic Chemistry","2012","51","","7529","7536","10.1021/ic300125y","","","0.71073","MoKα","","0.0241","0.0234","","","0.0654","0.0658","","","","","","1.185","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329685","6.7159","0.0013","10.713","0.002","11.275","0.002","84.2","0.03","88.72","0.03","89.9","0.03","806.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H18 Dy2 O16 -","- C8 H18 Dy2 O16 -","- C16 H36 Dy4 O32 -","2","1","","Qi Zhou; Fen Yang; Dan Liu; Yu Peng; Guanghua Li; Zhan Shi; Shouhua Feng","Synthesis, Structures, and Magnetic Properties of Three Fluoride-Bridged Lanthanide Compounds: Effect of Bridging Fluoride Ions on Magnetic Behaviors","Inorganic Chemistry","2012","51","","7529","7536","10.1021/ic300125y","","","0.71073","MoKα","","0.0256","0.0238","","","0.0629","0.0664","","","","","","1.175","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329686","7.8064","0.0011","14.564","0.002","22.853","0.003","90","","99.29","0.002","90","","2564.1","0.6","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Au F6 N2 P -","- C27 H22 Au F6 N2 P -","- C108 H88 Au4 F24 N8 P4 -","4","1","","Vonika Ka-Man Au; Wai Han Lam; Wing-Tak Wong; Vivian Wing-Wah Yam","Luminescent Cyclometalated Alkynylgold(III) Complexes with 6-Phenyl-2,2'-Bipyridine Derivatives: Synthesis, Characterization, Electrochemistry, Photophysics, and Computational Studies","Inorganic Chemistry","2012","51","","7537","7545","10.1021/ic300140w","","","0.71073","MoKα","","0.0544","0.0367","","","0.0908","0.099","","","","","","1.014","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329687","9.179","0.003","7.876","0.003","20.948","0.007","90","","95.952","0.004","90","","1506.2","0.9","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F12 Ni P2 S4 -","- C28 H16 F12 Ni P2 S4 -","- C56 H32 F24 Ni2 P4 S8 -","2","0.5","","Scott R. Daly; Jason M. Keith; Enrique R. Batista; Kevin S. Boland; Stosh A. Kozimor; Richard L. Martin; Brian L. Scott","Probing Ni[S2PR2]2 Electronic Structure to Generate Insight Relevant to Minor Actinide Extraction Chemistry","Inorganic Chemistry","2012","51","","7551","7560","10.1021/ic3001587","","","0.71073","MoKα","","0.061","0.0515","","","0.154","0.1718","","","","","","1.138","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329688","10.803","0.006","11.195","0.006","13.291","0.007","90","","92.802","0.006","90","","1605.5","1.5","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F12 Ni P2 S4 -","- C28 H16 F12 Ni P2 S4 -","- C56 H32 F24 Ni2 P4 S8 -","2","0.5","","Scott R. Daly; Jason M. Keith; Enrique R. Batista; Kevin S. Boland; Stosh A. Kozimor; Richard L. Martin; Brian L. Scott","Probing Ni[S2PR2]2 Electronic Structure to Generate Insight Relevant to Minor Actinide Extraction Chemistry","Inorganic Chemistry","2012","51","","7551","7560","10.1021/ic3001587","","","0.71073","MoKα","","0.0534","0.0416","","","0.0951","0.1005","","","","","","1.141","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329689","13.0328","0.0016","11.4418","0.0014","16.641","0.002","90","","103.362","0.001","90","","2414.3","0.5","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Ni P2 S4 -","- C24 H20 Ni P2 S4 -","- C96 H80 Ni4 P8 S16 -","4","1","","Scott R. Daly; Jason M. Keith; Enrique R. Batista; Kevin S. Boland; Stosh A. Kozimor; Richard L. Martin; Brian L. Scott","Probing Ni[S2PR2]2 Electronic Structure to Generate Insight Relevant to Minor Actinide Extraction Chemistry","Inorganic Chemistry","2012","51","","7551","7560","10.1021/ic3001587","","","0.71073","MoKα","","0.0662","0.0397","","","0.1229","0.146","","","","","","1.135","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329690","12.032","0.002","9.9777","0.0018","12.864","0.002","90","","92.663","0.002","90","","1542.7","0.4","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F12 Ni P2 S4 -","- C28 H16 F12 Ni P2 S4 -","- C56 H32 F24 Ni2 P4 S8 -","2","0.5","","Scott R. Daly; Jason M. Keith; Enrique R. Batista; Kevin S. Boland; Stosh A. Kozimor; Richard L. Martin; Brian L. Scott","Probing Ni[S2PR2]2 Electronic Structure to Generate Insight Relevant to Minor Actinide Extraction Chemistry","Inorganic Chemistry","2012","51","","7551","7560","10.1021/ic3001587","","","0.71073","MoKα","","0.0598","0.0423","","","0.095","0.1042","","","","","","1.059","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329691","18.5186","0.0008","11.3288","0.0004","29.7899","0.0009","90","","104.3","0.003","90","","6056.1","0.4","200","0.2","200","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H64 N10 Ru2 -","- C66 H64 N10 Ru2 -","- C264 H256 N40 Ru8 -","4","0.5","","Steven P. Cummings; Zhi Cao; Phillip E. Fanwick; Anastasia Kharlamova; Tong Ren","Diruthenium(III,III) Ethynyl-phenyleneimine Molecular Wires: Preparation via On-Complex Schiff Base Condensation","Inorganic Chemistry","2012","51","","7561","7568","10.1021/ic300182h","","","1.54184","CU-Kα","","0.036","0.034","","","0.083","0.085","","","","","","1.036","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4329692","21.1419","0.0014","17.9006","0.0011","16.4044","0.0007","90","","115.188","0.004","90","","5618","0.6","150","0.2","150","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H65 N8 O4 Ru2 -","- C62 H65 N8 O4 Ru2 -","- C248 H260 N32 O16 Ru8 -","4","0.5","","Steven P. Cummings; Zhi Cao; Phillip E. Fanwick; Anastasia Kharlamova; Tong Ren","Diruthenium(III,III) Ethynyl-phenyleneimine Molecular Wires: Preparation via On-Complex Schiff Base Condensation","Inorganic Chemistry","2012","51","","7561","7568","10.1021/ic300182h","","","1.54184","CU-Kα","","0.074","0.059","","","0.163","0.175","","","","","","1.063","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4329693","15.325","0.006","16.472","0.006","17.072","0.006","70.144","0.007","64.567","0.007","67.516","0.007","3516","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H76 Cu13 Mo24 N48 O104 P2 -","- C32 H36 Cu13 Mo24 N48 O104 P2 -","- C32 H36 Cu13 Mo24 N48 O104 P2 -","1","0.5","","Chan-Zi Ruan; Ru Wen; Min-Xia Liang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Two Triazole-Based Metal-Organic Frameworks Constructed from Nanosized Cu20 and Cu30 Wheels","Inorganic Chemistry","2012","51","","7587","7591","10.1021/ic3003299","","","0.71073","MoKα","","0.1091","0.078","","","0.1659","0.1833","","","","","","1.025","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329694","20.758","0.012","20.758","0.012","158.36","0.13","90","","90","","120","","59095","7","273","2","273","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H103 Cu12 Mo36 N36 O149 P3 -","- C72 Cu12 Mo37.5 N36 O151.51 P3.5 -","- C864 Cu144 Mo450 N432 O1818.12 P42 -","12","0.333333","","Chan-Zi Ruan; Ru Wen; Min-Xia Liang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Two Triazole-Based Metal-Organic Frameworks Constructed from Nanosized Cu20 and Cu30 Wheels","Inorganic Chemistry","2012","51","","7587","7591","10.1021/ic3003299","","","0.71073","MoKα","","0.1718","0.1423","","","0.2777","0.2938","","","","","","1.261","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329695","13.2767","0.0006","25.7524","0.0007","14.8178","0.0006","90","","115.522","0.005","90","","4571.9","0.4","394","2","394","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H86 Co4 Dy2 N14 O33 -","- C100 H80 Co4 Dy2 N14 O33 -","- C200 H160 Co8 Dy4 N28 O66 -","2","0.5","","Yue Liu; Zhi Chen; Jia Ren; Xiao-Qing Zhao; Peng Cheng; Bin Zhao","Two-Dimensional 3d-4f Networks Containing Planar Co4Ln2 Clusters with Single-Molecule-Magnet Behaviors","Inorganic Chemistry","2012","51","","7433","7435","10.1021/ic300372v","","","0.71073","MoKα","","0.0922","0.0876","","","0.2254","0.2283","","","","","","1.082","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329696","13.2479","0.0007","25.7382","0.0015","14.8186","0.0009","90","","115.296","0.006","90","","4568.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H80 Co4 Ho2 N14 O30 -","- C100 H80 Co4 Ho2 N14 O30 -","- C200 H160 Co8 Ho4 N28 O60 -","2","0.5","","Yue Liu; Zhi Chen; Jia Ren; Xiao-Qing Zhao; Peng Cheng; Bin Zhao","Two-Dimensional 3d-4f Networks Containing Planar Co4Ln2 Clusters with Single-Molecule-Magnet Behaviors","Inorganic Chemistry","2012","51","","7433","7435","10.1021/ic300372v","","","0.71073","MoKα","","0.0797","0.0534","","","0.1109","0.1269","","","","","","1.034","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329697","12.4903","0.0002","24.7645","0.0005","12.1277","0.0002","90","","90","","90","","3751.29","0.11","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C60 H60 B2 Cl2 Co2 F8 N20 -","- C60 H60 B2 Cl2 Co2 F8 N20 -","- C120 H120 B4 Cl4 Co4 F16 N40 -","2","0.5","","David Schweinfurth; Serhiy Demeshko; Marat M. Khusniyarov; Sebastian Dechert; Venkatanarayana Gurram; Michael R. Buchmeiser; Franc Meyer; Biprajit Sarkar","Capped-Tetrahedrally Coordinated Fe(II) and Co(II) Complexes Using a ""Click""-Derived Tripodal Ligand: Geometric and Electronic Structures","Inorganic Chemistry","2012","51","","7592","7597","10.1021/ic300392e","","","0.71073","MoKα","","0.0751","0.052","","","0.1182","0.1262","","","","","","0.935","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329698","5.5898","0.0002","21.7165","0.0006","22.0753","0.0009","90","","93.467","0.003","90","","2674.84","0.16","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N10 -","- C30 H30 N10 -","- C120 H120 N40 -","4","1","","David Schweinfurth; Serhiy Demeshko; Marat M. Khusniyarov; Sebastian Dechert; Venkatanarayana Gurram; Michael R. Buchmeiser; Franc Meyer; Biprajit Sarkar","Capped-Tetrahedrally Coordinated Fe(II) and Co(II) Complexes Using a ""Click""-Derived Tripodal Ligand: Geometric and Electronic Structures","Inorganic Chemistry","2012","51","","7592","7597","10.1021/ic300392e","","","0.71073","MoKα","","0.0817","0.0546","","","0.1051","0.1129","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329699","16.5885","0.0013","16.5885","0.0013","21.976","0.0017","90","","90","","90","","6047.3","0.8","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca2.196 Mn Sb11 Yb11.804 -","- Ca2.196 Mn Sb11 Yb11.804 -","- Ca17.568 Mn8 Sb88 Yb94.432 -","8","0.25","","Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich","Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11","Inorganic Chemistry","2012","51","","7617","7624","10.1021/ic300567c","","","0.71073","MoKα","","0.0304","0.0242","","","0.0612","0.0635","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329700","16.5853","0.0013","16.5853","0.0013","22.0353","0.0018","90","","90","","90","","6061.3","0.8","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca4.5 Mn Sb11 Yb9.5 -","- Ca4.498 Mn Sb11 Yb9.502 -","- Ca35.984 Mn8 Sb88 Yb76.016 -","8","0.25","","Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich","Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11","Inorganic Chemistry","2012","51","","7617","7624","10.1021/ic300567c","","","0.71073","MoKα","","0.0685","0.0344","","","0.0684","0.0798","","","","","","1.187","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329701","16.5888","0.0012","16.5888","0.0012","22.0682","0.0017","90","","90","","90","","6072.9","0.8","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca5.95 Mn Sb11 Yb8.05 -","- Ca5.952 Mn Sb11 Yb8.048 -","- Ca47.616 Mn8 Sb88 Yb64.384 -","8","0.25","","Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich","Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11","Inorganic Chemistry","2012","51","","7617","7624","10.1021/ic300567c","","","0.71073","MoKα","","0.0706","0.0337","","","0.0677","0.0814","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329702","16.573","0.003","16.573","0.003","22.141","0.004","90","","90","","90","","6081.3","1.9","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca9.544 Mn Sb11 Yb4.456 -","- Ca9.544 Mn Sb11 Yb4.456 -","- Ca76.352 Mn8 Sb88 Yb35.648 -","8","0.25","","Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich","Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11","Inorganic Chemistry","2012","51","","7617","7624","10.1021/ic300567c","","","0.71073","MoKα","","0.1495","0.059","","","0.1394","0.1898","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329703","15.1906","0.001","22.9712","0.0015","10.428","0.0007","90","","91.657","0.001","90","","3637.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Au Br4 N3 P -","- C40 H29 Au Br4 N3 P -","- C160 H116 Au4 Br16 N12 P4 -","4","1","","Lei Gao; Nihal Deligonul; Thomas G. Gray","Gold(I) Complexes of Brominated Azadipyrromethene Ligands","Inorganic Chemistry","2012","51","","7682","7688","10.1021/ic300709n","","","0.71073","MoKα","","0.0544","0.0364","","","0.0841","0.0919","","","","","","1.024","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329704","12.4081","0.001","14.4032","0.0012","22.5506","0.0019","90","","102.723","0.001","90","","3931.2","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 Au Br2 N3 P -","- C40 H31 Au Br2 N3 P -","- C160 H124 Au4 Br8 N12 P4 -","4","1","","Lei Gao; Nihal Deligonul; Thomas G. Gray","Gold(I) Complexes of Brominated Azadipyrromethene Ligands","Inorganic Chemistry","2012","51","","7682","7688","10.1021/ic300709n","","","0.71073","MoKα","","0.0347","0.0263","","","0.0601","0.0617","","","","","","1.084","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329705","19.8704","0.0013","16.1637","0.0011","23.2378","0.0016","90","","97.7","0.001","90","","7396.2","0.9","170","2","170","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H35 Au Br2 N3 O2 P -","- C42 H35 Au Br2 N3 O2 P -","- C336 H280 Au8 Br16 N24 O16 P8 -","8","2","","Lei Gao; Nihal Deligonul; Thomas G. Gray","Gold(I) Complexes of Brominated Azadipyrromethene Ligands","Inorganic Chemistry","2012","51","","7682","7688","10.1021/ic300709n","","","0.71073","MoKα","","0.0411","0.0312","","","0.0553","0.0578","","","","","","0.923","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329706","10.726","0.002","16.066","0.004","21.324","0.005","90","","98.766","0.002","90","","3631.7","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Au Br2 N3 O2 P -","- C42 H35 Au Br2 N3 O2 P -","- C168 H140 Au4 Br8 N12 O8 P4 -","4","1","","Lei Gao; Nihal Deligonul; Thomas G. Gray","Gold(I) Complexes of Brominated Azadipyrromethene Ligands","Inorganic Chemistry","2012","51","","7682","7688","10.1021/ic300709n","","","0.71073","MoKα","","0.0309","0.0238","","","0.0573","0.0599","","","","","","1.031","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329707","29.5527","0.0009","8.61754","0.00017","9.70319","0.0002","90","","95.441","0.0019","90","","2459.99","0.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 Mg N2 O14 P4 -","- C12 Mg N2 O14 P4 -","- C48 Mg4 N8 O56 P16 -","4","0.5","","Rosario M. P. Colodrero; Pascual Olivera-Pastor; Enrique Ramírez-Losilla; Daniel Hernández-Alonso; Miguel A. G. Aranda; Laura Leon-Reina; Jordi Rius; Konstantinos D. Demadis; Bernard Moreau; Didier Villemin; Miguel Palomino; Fernando Rey; Aurelio Cabeza","High Proton Conductivity in a Flexible, Cross-Linked, Ultramicroporous Magnesium Tetraphosphonate Hybrid Framework","Inorganic Chemistry","2012","51","","7689","7698","10.1021/ic3007316","powder diffraction","x-ray","0.2998","synchrotron","","","","","","","","0.15044","","2.92","","","","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329708","6.8389","0.0004","13.8406","0.0007","10.9849","0.0006","90","","90","","90","","1039.77","0.1","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl N3 O2 Pd -","- C9 H10 Cl N3 O2 Pd -","- C36 H40 Cl4 N12 O8 Pd4 -","4","1","","Evangelia S. Koumousi; Marianthi Zampakou; Catherine P. Raptopoulou; Vassilis Psycharis; Christine M. Beavers; Simon J. Teat; George Psomas; Theocharis C. Stamatatos","First Palladium(II) and Platinum(II) Complexes from Employment of 2,6-Diacetylpyridine Dioxime: Synthesis, Structural and Spectroscopic Characterization, and Biological Evaluation","Inorganic Chemistry","2012","51","","7699","7710","10.1021/ic300739x","","","0.7749","synchrotron","","0.0268","0.0261","","","0.0691","0.0696","","","","","","1.055","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329709","6.9452","0.0002","10.995","0.0003","13.7541","0.0003","90","","90","","90","","1050.3","0.05","160","2","160","2","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C9 H10 Cl N3 O2 Pt -","- C9 H10 Cl N3 O2 Pt -","- C36 H40 Cl4 N12 O8 Pt4 -","4","1","","Evangelia S. Koumousi; Marianthi Zampakou; Catherine P. Raptopoulou; Vassilis Psycharis; Christine M. Beavers; Simon J. Teat; George Psomas; Theocharis C. Stamatatos","First Palladium(II) and Platinum(II) Complexes from Employment of 2,6-Diacetylpyridine Dioxime: Synthesis, Structural and Spectroscopic Characterization, and Biological Evaluation","Inorganic Chemistry","2012","51","","7699","7710","10.1021/ic300739x","","","1.54178","CuKα","","0.0389","0.0376","","","0.0856","0.0864","","","","","","1.045","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329710","8.718","0.0012","8.718","0.0012","4.857","0.001","90","","90","","90","","369.15","0.1","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4 Ga4 Na1.11 -","- Au4 Ga4 Na1.12 -","- Au8 Ga8 Na2.24 -","2","0.0625","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations","Inorganic Chemistry","2012","51","","7711","7721","10.1021/ic300740u","","","0.71073","MoKα","","0.0432","0.0376","","","0.0798","0.0829","","","","","","1.092","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329711","8.9496","0.0013","8.9496","0.0013","4.8293","0.001","90","","90","","90","","386.8","0.11","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4 Ga4 Rb1.12 -","- Au4 Ga4 Rb1.118 -","- Au8 Ga8 Rb2.236 -","2","0.0625","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations","Inorganic Chemistry","2012","51","","7711","7721","10.1021/ic300740u","","","0.71073","MoKα","","0.0237","0.0231","","","0.0509","0.0516","","","","","","1.165","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329712","9.0773","0.0013","9.0773","0.0013","4.8154","0.001","90","","90","","90","","396.78","0.12","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4 Cs1.08 Ga4 -","- Au4 Cs1.084 Ga4 -","- Au8 Cs2.168 Ga8 -","2","0.0625","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations","Inorganic Chemistry","2012","51","","7711","7721","10.1021/ic300740u","","","0.71073","MoKα","","0.0359","0.0354","","","0.0826","0.0828","","","","","","1.294","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329713","13.384","0.003","5.577","0.0011","7.017","0.0014","90","","90","","90","","523.77","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au3 Ga2 Rb -","- Au3 Ga2 Rb -","- Au12 Ga8 Rb4 -","4","0.5","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations","Inorganic Chemistry","2012","51","","7711","7721","10.1021/ic300740u","","","0.71073","MoKα","","0.0513","0.0384","","","0.0734","0.0785","","","","","","1.149","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329714","13.511","0.003","5.614","0.0011","7.146","0.0014","90","","90","","90","","542.03","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au3 Cs Ga2 -","- Au3 Cs Ga2 -","- Au12 Cs4 Ga8 -","4","0.5","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations","Inorganic Chemistry","2012","51","","7711","7721","10.1021/ic300740u","","","0.71073","MoKα","","0.0714","0.0492","","","0.0876","0.0934","","","","","","1.128","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329715","19.55","0.003","19.55","0.003","8.991","0.0018","90","","90","","120","","2976","0.9","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Au41.18 Ga30.32 Na13 -","- Au41.19 Ga30.31 Na13 -","- Au82.38 Ga60.62 Na26 -","2","0.0833333","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations","Inorganic Chemistry","2012","51","","7711","7721","10.1021/ic300740u","","","0.71073","MoKα","","0.102","0.0818","","","0.1274","0.1332","","","","","","1.365","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329716","13.2137","0.0008","20.9757","0.0011","33.2416","0.0018","90","","90","","90","","9213.5","0.9","296","2","296","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C36 H84 Ag11 F6 I4 O12 P7 S12 -","- C36 H84 Ag11 F6 I4 O12 P7 S12 -","- C144 H336 Ag44 F24 I16 O48 P28 S48 -","4","0.5","","Yi-Juan Li; Camille Latouche; Samia Kahlal; Jian-Hong Liao; Rajendra Singh Dhayal; Jean-Yves Saillard; C. W. Liu","A μ9-Iodide in a Tricapped Trigonal-Prismatic Geometry","Inorganic Chemistry","2012","51","","7439","7441","10.1021/ic3007475","","","0.71073","MoKα","","0.1026","0.0644","","","0.1945","0.2229","","","","","","1.168","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329717","13.3742","0.0017","21.242","0.003","33.657","0.006","90","","90","","90","","9562","2","296","2","296","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C37.5 H87 Ag11 F6 I4 O12.5 P7 Se12 -","- C37.5 H87 Ag11 F6 I4 O12.5 P7 Se12 -","- C150 H348 Ag44 F24 I16 O50 P28 Se48 -","4","0.5","","Yi-Juan Li; Camille Latouche; Samia Kahlal; Jian-Hong Liao; Rajendra Singh Dhayal; Jean-Yves Saillard; C. W. Liu","A μ9-Iodide in a Tricapped Trigonal-Prismatic Geometry","Inorganic Chemistry","2012","51","","7439","7441","10.1021/ic3007475","","","0.71073","MoKα","","0.1523","0.0562","","","0.1418","0.206","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329718","11.98","0.006","10.242","0.005","12.552","0.006","90","","99.646","0.008","90","","1518.3","1.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Ir O7 S3 -","- C9 H19 Ir O7 S3 -","- C36 H76 Ir4 O28 S12 -","4","1","","James D. Blakemore; Nathan D. Schley; Maxwell N. Kushner-Lenhoff; Andrew M. Winter; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Comparison of Amorphous Iridium Water-Oxidation Electrocatalysts Prepared from Soluble Precursors","Inorganic Chemistry","2012","51","","7749","7763","10.1021/ic300764f","","","0.71075","MoKα","","","0.0548","","","","0.1133","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329719","9.60384","0.00017","12.631","0.0002","15.4651","0.0011","90","","90","","90","","1876.01","0.14","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H11 Ir O7 S -","- C5 H11 Ir O7 S -","- C40 H88 Ir8 O56 S8 -","8","1","","James D. Blakemore; Nathan D. Schley; Maxwell N. Kushner-Lenhoff; Andrew M. Winter; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Comparison of Amorphous Iridium Water-Oxidation Electrocatalysts Prepared from Soluble Precursors","Inorganic Chemistry","2012","51","","7749","7763","10.1021/ic300764f","","","1.54187","CuKα","","","0.0306","","","","0.0787","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329720","12.8737","0.0002","15.0045","0.0003","16.0067","0.0003","66.491","0.001","69.492","0.001","73.13","0.001","2614.52","0.09","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H78 Cl2 N2 P2 Sn -","- C49 H78 Cl2 N2 P2 Sn -","- C98 H156 Cl4 N4 P4 Sn2 -","2","1","","Tibor-Gabor Kocsor; Dimitri Matioszek; Gabriela Nemeş; Annie Castel; Jean Escudié; Petronela M. Petrar; Nathalie Saffon; Ionel Haiduc","Chalcogeno[bis(phosphaalkenyl)] Germanium and Tin Compounds","Inorganic Chemistry","2012","51","","7782","7787","10.1021/ic300810q","","","0.71073","MoKα","","0.0534","0.036","","","0.0813","0.0899","","","","","","1.007","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329721","12.4775","0.0004","13.8395","0.0004","14.3456","0.0004","94.893","0.001","97.332","0.002","110.126","0.001","2284.64","0.12","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H124 Cl4 P4 S6 Sn2 -","- C83 H124 Cl4 P4 S6 Sn2 -","- C83 H124 Cl4 P4 S6 Sn2 -","1","0.5","","Tibor-Gabor Kocsor; Dimitri Matioszek; Gabriela Nemeş; Annie Castel; Jean Escudié; Petronela M. Petrar; Nathalie Saffon; Ionel Haiduc","Chalcogeno[bis(phosphaalkenyl)] Germanium and Tin Compounds","Inorganic Chemistry","2012","51","","7782","7787","10.1021/ic300810q","","","0.71073","MoKα","","0.0268","0.024","","","0.061","0.0636","","","","","","1.049","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329722","9.9799","0.0005","22.0637","0.0012","27.7366","0.0015","87.142","0.003","87.901","0.002","82.048","0.002","6038.4","0.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C59.5 H90 Cl2 Ge N2 P2 Se -","- C59.5 H90 Cl2 Ge N2 P2 Se -","- C238 H360 Cl8 Ge4 N8 P8 Se4 -","4","2","","Tibor-Gabor Kocsor; Dimitri Matioszek; Gabriela Nemeş; Annie Castel; Jean Escudié; Petronela M. Petrar; Nathalie Saffon; Ionel Haiduc","Chalcogeno[bis(phosphaalkenyl)] Germanium and Tin Compounds","Inorganic Chemistry","2012","51","","7782","7787","10.1021/ic300810q","","","0.71073","MoKα","","0.1285","0.0597","","","0.1084","0.1282","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329723","11.6532","0.0017","19.582","0.004","21.979","0.004","78.469","0.007","89.317","0.006","74.7","0.006","4735.6","1.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H140 Cl4 Ge2 P4 Se3 -","- C86 H140 Cl4 Ge2 P4 Se3 -","- C172 H280 Cl8 Ge4 P8 Se6 -","2","1","","Tibor-Gabor Kocsor; Dimitri Matioszek; Gabriela Nemeş; Annie Castel; Jean Escudié; Petronela M. Petrar; Nathalie Saffon; Ionel Haiduc","Chalcogeno[bis(phosphaalkenyl)] Germanium and Tin Compounds","Inorganic Chemistry","2012","51","","7782","7787","10.1021/ic300810q","","","0.71073","MoKα","","0.0738","0.0391","","","0.0825","0.0958","","","","","","1.013","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329724","15.913","","11.73087","","5.13593","","90","","107.789","","90","","912.9","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Ba6Ga21TaO40","- Ba6 Ga21 O40 Ta -","- Ba6 Ga21 O40 Ta -","- Ba6 Ga21 O40 Ta -","1","0.125","","Jiang Cao; Xiaodi Yu; Xiaojun Kuang; Qiang Su","Phase Relationships in the BaO-Ga2O3-Ta2O5 System and the Structure of Ba6Ga21TaO40","Inorganic Chemistry","2012","51","","7788","7793","10.1021/ic3008238","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329725","12.7905","0.0018","14.7398","0.0018","15.741","0.002","100.136","0.009","100.385","0.009","97.79","0.008","2830.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Fe2 H121 N O136 Ru8 Te2 W18 -","- Fe2 O131 Ru8 Te2 W18 -","- Fe2 O131 Ru8 Te2 W18 -","1","0.5","","Irina V. Kalinina; Natalya V. Izarova; Ulrich Kortz","Bis[tetraruthenium(IV)]-Containing Polyoxometalates: [{RuIV4O6(H2O)9}2Sb2W20O68(OH)2]4- and [{RuIV4O6(H2O)9}2{Fe(H2O)2}2{β-TeW9O33}2H]-","Inorganic Chemistry","2012","51","","7442","7444","10.1021/ic300849b","","","0.71073","MoKα","","0.0815","0.0495","","","0.1159","0.131","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329726","12.8277","0.0006","14.7639","0.0007","15.579","0.0007","99.82","0.003","100.265","0.003","98.563","0.003","2811.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- H138 N4 O142 Ru8 Sb2 W20 -","- O117 Ru8 Sb2 W20 -","- O117 Ru8 Sb2 W20 -","1","0.5","","Irina V. Kalinina; Natalya V. Izarova; Ulrich Kortz","Bis[tetraruthenium(IV)]-Containing Polyoxometalates: [{RuIV4O6(H2O)9}2Sb2W20O68(OH)2]4- and [{RuIV4O6(H2O)9}2{Fe(H2O)2}2{β-TeW9O33}2H]-","Inorganic Chemistry","2012","51","","7442","7444","10.1021/ic300849b","","","0.71073","MoKα","","0.0886","0.0545","","","0.1414","0.1607","","","","","","1.082","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329727","10.8617","0.0015","11.0392","0.0016","13.6334","0.0019","83.681","0.002","67.292","0.001","67.3","0.002","1389.7","0.3","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 Na4 O10 S6 U -","- C8 Na4 O10 S6 U -","- C16 Na8 O20 S12 U2 -","2","1","","Daniel J. Grant; Zhehui Weng; Laurent J. Jouffret; Peter C. Burns; Laura Gagliardi","Synthesis of a Uranyl Persulfide Complex and Quantum Chemical Studies of Formation and Topologies of Hypothetical Uranyl Persulfide Cage Clusters","Inorganic Chemistry","2012","51","","7801","7809","10.1021/ic3008574","","","0.71073","MoKα","","0.0362","0.0278","","","0.06","0.0618","","","","","","0.947","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329728","11.302","0.0001","17.7376","0.0002","29.4278","0.0003","90","","90","","90","","5899.4","0.1","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Mo2 O2 P Se -","- C30 H41 Mo2 O2 P Se -","- C240 H328 Mo16 O16 P8 Se8 -","8","2","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz","Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands","Inorganic Chemistry","2012","51","","7810","7824","10.1021/ic300869z","","x-ray","1.54184","CuKα","","0.0549","0.0378","","","0.0752","0.0823","","","","","","0.954","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329729","9.6372","0.0019","16.773","0.003","17.553","0.003","90","","93.209","0.004","90","","2832.9","0.9","100","0.1","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Mo2 O3 P -","- C30 H39 Mo2 O3 P -","- C120 H156 Mo8 O12 P4 -","4","1","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz","Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands","Inorganic Chemistry","2012","51","","7810","7824","10.1021/ic300869z","","x-ray","0.71073","MoKα","","0.0527","0.0342","","","0.0659","0.0695","","","","","","1.081","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329730","10.678","0.003","11.279","0.003","14.708","0.004","94.632","0.005","104.006","0.004","97.96","0.004","1690.1","0.8","100","0.1","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H46 Mo2 O3 P S -","- C34 H46 Mo2 O3 P S -","- C68 H92 Mo4 O6 P2 S2 -","2","1","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz","Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands","Inorganic Chemistry","2012","51","","7810","7824","10.1021/ic300869z","","x-ray","0.71073","MoKα","","0.0377","0.0288","","","0.0674","0.0704","","","","","","1.056","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329731","18.9423","0.0003","9.6981","0.0001","36.6486","0.0005","90","","97.371","0.001","90","","6676.87","0.16","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C131 H164 Mo8 O12 P4 S4 -","- C131 H164 Mo8 O12 P4 S4 -","- C262 H328 Mo16 O24 P8 S8 -","2","0.5","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz","Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands","Inorganic Chemistry","2012","51","","7810","7824","10.1021/ic300869z","","x-ray","0.71073","MoKα","","0.0487","0.0382","","","0.135","0.1419","","","","","","1.106","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329732","10.5406","0.0001","16.6907","0.0002","19.3623","0.0002","90","","100.242","0.004","90","","3352.13","0.07","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 Mo2 O3 P Se -","- C32 H41 Cl2 Mo2 O3 P Se -","- C128 H164 Cl8 Mo8 O12 P4 Se4 -","4","1","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz","Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands","Inorganic Chemistry","2012","51","","7810","7824","10.1021/ic300869z","","x-ray","0.71073","MoKα","","0.0397","0.0299","","","0.0807","0.1045","","","","","","1.255","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329733","17.154","0.005","11.003","0.005","18.268","0.005","90","0.005","90.066","0.005","90","0.005","3448","2","100","0.1","100","1","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Mo2 N O2 P S -","- C35 H48 Mo2 N O2 P S -","- C140 H192 Mo8 N4 O8 P4 S4 -","4","1","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz","Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands","Inorganic Chemistry","2012","51","","7810","7824","10.1021/ic300869z","","x-ray","0.71073","MoKα","","0.0472","0.0369","","","0.0819","0.0885","","","","","","1.028","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329734","9.5281","0.0006","12.5563","0.001","14.4321","0.0011","64.355","0.008","77.855","0.006","87.777","0.006","1519","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H39 Mo2 O2 P S2 -","- C30 H39 Mo2 O2 P S2 -","- C60 H78 Mo4 O4 P2 S4 -","2","1","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz","Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands","Inorganic Chemistry","2012","51","","7810","7824","10.1021/ic300869z","","x-ray","1.54184","CuKα","","0.1006","0.079","","","0.1962","0.215","","","","","","1.022","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329735","11.8298","0.0007","15.2084","0.0008","18.4824","0.001","88.1099","0.001","81.9099","0.0009","81.7606","0.001","3257.9","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H82 B Cl2 F4 N4 P5 Re6 Se8 -","- C37 H80 B F4 N4 P5 Re6 Se8 -","- C74 H160 B2 F8 N8 P10 Re12 Se16 -","2","1","","Jessica L. Durham; Joan N. Tirado; Stanley A. Knott; Meghan K. Oh; Robert McDonald; Lisa F. Szczepura","Preparation of a Family of Hexanuclear Rhenium Cluster Complexes Containing 5-(Phenyl)tetrazol-2-yl Ligands and Alkylation of 5-Substituted Tetrazolate Ligands","Inorganic Chemistry","2012","51","","7825","7836","10.1021/ic300877r","","","0.71073","MoKα","","0.0904","0.0428","","","0.1106","0.1263","","","","","","0.892","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329736","12.234","0.001","19.9378","0.0017","27.756","0.002","90","","91.6087","0.0013","90","","6767.5","0.9","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H85 B2 F8 N2 O P5 Re6 Se8 -","- C41 H85 B2 F8 N2 O P5 Re6 Se8 -","- C164 H340 B8 F32 N8 O4 P20 Re24 Se32 -","4","1","","Jessica L. Durham; Joan N. Tirado; Stanley A. Knott; Meghan K. Oh; Robert McDonald; Lisa F. Szczepura","Preparation of a Family of Hexanuclear Rhenium Cluster Complexes Containing 5-(Phenyl)tetrazol-2-yl Ligands and Alkylation of 5-Substituted Tetrazolate Ligands","Inorganic Chemistry","2012","51","","7825","7836","10.1021/ic300877r","","","0.71073","MoKα","","0.0551","0.0366","","","0.0769","0.0839","","","","","","1.091","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329737","25.2743","0.0017","19.7358","0.0014","12.2496","0.0008","90","","90","","90","","6110.2","0.7","193","2","193","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C37 H81 B F4 N5 P5 Re6 Se8 -","- C37 H81 B F4 N5 P5 Re6 Se8 -","- C148 H324 B4 F16 N20 P20 Re24 Se32 -","4","1","","Jessica L. Durham; Joan N. Tirado; Stanley A. Knott; Meghan K. Oh; Robert McDonald; Lisa F. Szczepura","Preparation of a Family of Hexanuclear Rhenium Cluster Complexes Containing 5-(Phenyl)tetrazol-2-yl Ligands and Alkylation of 5-Substituted Tetrazolate Ligands","Inorganic Chemistry","2012","51","","7825","7836","10.1021/ic300877r","","","0.71073","MoKα","","0.0345","0.0254","","","0.0492","0.0519","","","","","","0.992","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329738","8.4331","0.0007","4.7819","0.0004","14.6583","0.0013","90","","101.684","0.006","90","","578.87","0.09","200","0.2","200","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- In2 O12 Se4 Zn -","- In2 O12 Se4 Zn -","- In4 O24 Se8 Zn2 -","2","0.5","","Dong Woo Lee; Dan-bee Bak; Saet Byeol Kim; Jiwon Kim; Kang Min Ok","Effect of the Framework Flexibility on the Centricities in Centrosymmetric In2Zn(SeO3)4 and Noncentrosymmetric Ga2Zn(TeO3)4","Inorganic Chemistry","2012","51","","7844","7850","10.1021/ic300909s","","","0.71073","MoKα","","0.0547","0.0399","","","0.0996","0.1066","","","","","","1.076","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329739","10.5794","0.0008","10.5794","0.0008","10.5794","0.0008","90","","90","","90","","1184.09","0.16","200","2","200","0.2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ga2 O12 Te4 Zn -","- Ga2.01 O12 Te4 Zn0.99 -","- Ga8.04 O48 Te16 Zn3.96 -","4","0.0833333","","Dong Woo Lee; Dan-bee Bak; Saet Byeol Kim; Jiwon Kim; Kang Min Ok","Effect of the Framework Flexibility on the Centricities in Centrosymmetric In2Zn(SeO3)4 and Noncentrosymmetric Ga2Zn(TeO3)4","Inorganic Chemistry","2012","51","","7844","7850","10.1021/ic300909s","","","0.71073","MoKα","","0.0249","0.0218","","","0.0483","0.0494","","","","","","1.091","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329740","6.5287","0.001","15.494","0.002","10.7442","0.0017","90","","90.353","0.002","90","","1086.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lanthanum(III) Borate Iodide","","","- B5 I La O11 -","- B5 I La O11 -","- B20 I4 La4 O44 -","4","1","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.049","0.0316","","","0.0615","0.0672","","","","","","1.017","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329741","6.4983","0.001","15.416","0.002","10.7041","0.0016","90","","90.306","0.002","90","","1072.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cerium(III) Borate Iodide","","","- B5 Ce I O11 -","- B5 Ce I O11 -","- B20 Ce4 I4 O44 -","4","1","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.0279","0.0235","","","0.0555","0.0574","","","","","","1.111","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329742","6.4877","0.001","15.392","0.002","10.6857","0.0016","90","","90.254","0.002","90","","1067","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Praseodymium(III) Borate Iodide","","","- B5 I O11 Pr -","- B5 I O11 Pr -","- B20 I4 O44 Pr4 -","4","1","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.0317","0.0241","","","0.0571","0.0601","","","","","","1.046","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329743","6.4763","0.0005","15.3499","0.0011","10.6734","0.0008","90","","90.316","0.001","90","","1061.03","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium(III) Borate Iodide","","","- B5 I Nd O11 -","- B5 I Nd O11 -","- B20 I4 Nd4 O44 -","4","1","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.027","0.0214","","","0.0485","0.0504","","","","","","1.041","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329744","6.5197","0.0011","15.213","0.003","10.704","0.002","90","","90.017","0.002","90","","1061.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lanthanum(III) Borate Bromide","","","- B5 Br La O11 -","- B5 Br La O11 -","- B20 Br4 La4 O44 -","4","1","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.0474","0.0318","","","0.0585","0.0615","","","","","","0.944","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329745","6.4953","0.0014","15.159","0.003","10.67","0.002","90","","90.048","0.002","90","","1050.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cerium(III) Borate Bromide","","","- B5 Br Ce O11 -","- B5 Br Ce O11 -","- B20 Br4 Ce4 O44 -","4","1","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.0414","0.0297","","","0.056","0.0583","","","","","","0.953","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329746","6.491","0.0007","15.1426","0.0015","10.6639","0.0011","90","","90.044","0.001","90","","1048.16","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Praseodymium(III) Borate Bromide","","","- B5 Br O11 Pr -","- B5 Br O11 Pr -","- B20 Br4 O44 Pr4 -","4","1","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.0351","0.0291","","","0.0679","0.0704","","","","","","1.065","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329747","10.544","0.005","6.451","0.003","23.485","0.011","90","","97.754","0.005","90","","1582.8","1.3","127","2","127","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Neodymium(III) Borate Bromide","","","- B18 Br3 Nd4 O38 -","- B18 Br3 Nd4 O38 -","- B36 Br6 Nd8 O76 -","2","0.5","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.0438","0.0288","","","0.0566","0.0617","","","","","","1.042","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329748","8.1103","0.001","17.06","0.002","9.7923","0.0013","90","","90.133","0.001","90","","1354.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Plutonium(III) borate Iodide","","","- B7 I O14 Pu -","- B7 I O14 Pu -","- B28 I4 O56 Pu4 -","4","1","","Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates","Inorganic Chemistry","2012","51","","7859","7866","10.1021/ic3009317","","","0.71073","MoKα","","0.0819","0.0807","","","0.2204","0.221","","","","","","1.32","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329749","22.641","0.001","11.933","0.001","14.522","0.001","90","","91.371","0.003","90","","3922.4","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","poly-{[tris(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O')- hexaacuadisamarium(III)]undecahydrate}","","- C18 H52 N6 O29 Sm2 -","- C18 H18 N6 O29 Sm2 -","- C72 H72 N24 O116 Sm8 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","0.71073","MoKα","","0.0591","0.0543","","","0.1491","0.1521","","","","","","1.173","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329750","22.601","0.002","11.881","0.001","14.441","0.001","90","","91.293","0.006","90","","3876.7","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","poly-{[tris(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O')- hexaacuadieuropium(III)]undecahydrate}","","- C18 H52 Eu2 N6 O29 -","- C18 H18 Eu2 N6 O29 -","- C72 H72 Eu8 N24 O116 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","0.71073","MoKα","","0.065","0.0546","","","0.1403","0.1462","","","","","","1.117","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329751","22.604","0.001","11.847","0.001","14.375","0.001","90","","90.92","0.004","90","","3849","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","poly-{[tris(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O')- hexaacuaditerbium(III)]undecahydrate}","","- C18 H52 N6 O29 Tb2 -","- C18 H18 N6 O29 Tb2 -","- C72 H72 N24 O116 Tb8 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","1.5418","CuKα","","0.0978","0.0825","","","0.257","0.2711","","","","","","1.079","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329752","22.568","0.001","11.817","0.001","14.22","0.001","90","","90.446","0.007","90","","3792.2","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","poly-{[tris(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O')- hexaacuadiytterbium(III)]undecahydrate}","","- C18 H52 N6 O29 Yb2 -","- C18 H6 N6 O29 Yb2 -","- C72 H24 N24 O116 Yb8 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","0.71073","MoKα","","0.1024","0.0652","","","0.1786","0.1924","","","","","","1.082","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329753","9.3759","0.0002","10.4558","0.0002","12.5447","0.0002","90","","106.632","0.002","90","","1178.34","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 c 1","P -2yc","7","","poly-{[(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O'-bis- (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- diacuadilanthanum(III)]hydrate}","","- C18 H12 La2 N6 O15 -","- C18 H12 La2 N6 O15 -","- C36 H24 La4 N12 O30 -","2","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","0.71073","MoKα","","0.0353","0.0268","","","0.0534","0.0589","","","","","","0.97","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329754","9.3148","0.0002","10.3964","0.0002","12.4509","0.0003","90","","106.685","0.003","90","","1154.99","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 1 c 1","P -2yc","7","","poly-{[(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O'-bis- (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- diacuadicerium(III)]hydrate}","","- C18 H12 Ce2 N6 O15 -","- C18 H12 Ce2 N6 O15 -","- C36 H24 Ce4 N12 O30 -","2","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","1.5418","CuKα","","0.0232","0.022","","","0.0503","0.0512","","","","1.24","1.24","1.22","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329755","5.5","0.006","10.292","0.011","20.04","0.02","90","","91.313","0.019","90","","1134","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 Mg N O10 P2 -","- C4 H14 Mg N O10 P2 -","- C16 H56 Mg4 N4 O40 P8 -","4","1","","Konstantinos D. Demadis; Nikos Famelis; Aurelio Cabeza; Miguel A.G. Aranda; Rosario M. P. Colodrero; Antonia Infantes-Molina","2D Corrugated Magnesium Carboxyphosphonate Materials: Topotactic Transformations and Interlayer ""Decoration"" with Ammonia","Inorganic Chemistry","2012","51","","7889","7896","10.1021/ic300941t","","","0.71073","MoKα","","0.0406","0.0322","","","0.0876","0.0921","","","","","","1.075","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329756","5.6016","0.00019","10.21693","0.00028","19.8289","0.0007","90","","94.1402","0.0025","90","","1131.87","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 Mg N O9 P2 -","- C4 Mg N O9 P2 -","- C16 Mg4 N4 O36 P8 -","4","1","","Konstantinos D. Demadis; Nikos Famelis; Aurelio Cabeza; Miguel A.G. Aranda; Rosario M. P. Colodrero; Antonia Infantes-Molina","2D Corrugated Magnesium Carboxyphosphonate Materials: Topotactic Transformations and Interlayer ""Decoration"" with Ammonia","Inorganic Chemistry","2012","51","","7889","7896","10.1021/ic300941t","powder diffraction","x-ray","1.5406","","","","","","","","","0.11419","","6.47","","","","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329757","5.52949","0.00021","10.32545","0.00032","20","0.0008","90","","92.3026","0.0027","90","","1140.97","0.07","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 Mg N2 O9 P2 -","- C4 Mg N2 O9 P2 -","- C16 Mg4 N8 O36 P8 -","4","1","","Konstantinos D. Demadis; Nikos Famelis; Aurelio Cabeza; Miguel A.G. Aranda; Rosario M. P. Colodrero; Antonia Infantes-Molina","2D Corrugated Magnesium Carboxyphosphonate Materials: Topotactic Transformations and Interlayer ""Decoration"" with Ammonia","Inorganic Chemistry","2012","51","","7889","7896","10.1021/ic300941t","powder diffraction","x-ray","1.5406","","","","","","","","","0.08295","","4.66","","","","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329758","12.7135","0.0003","17.486","0.0004","19.4052","0.0005","90","","100.702","0.001","90","","4238.9","0.18","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ca O5 P2 S2 -","- C36 H44 Ca O5 P2 S2 -","- C144 H176 Ca4 O20 P8 S8 -","4","1","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.1053","0.0733","","","0.2241","0.244","","","","","","1.057","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329759","9.705","0.0002","8.5891","0.0001","23.51","0.0006","90","","92.052","0.001","90","","1958.47","0.07","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Ca O6 P2 -","- C40 H52 Ca O6 P2 -","- C80 H104 Ca2 O12 P4 -","2","0.5","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.0379","0.0329","","","0.0847","0.0883","","","","","","1.112","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329760","5.7704","0.0002","15.4651","0.0008","16.8331","0.0006","89.439","0.003","88.309","0.003","83.633","0.002","1492.23","0.11","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Ca O6 P2 S2 -","- C28 H32 Ca O6 P2 S2 -","- C56 H64 Ca2 O12 P4 S4 -","2","1","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.1071","0.0535","","","0.1137","0.1333","","","","","","0.894","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329761","20.0027","0.0006","12.9986","0.0005","15.7385","0.0005","90","","108.126","0.002","90","","3889","0.2","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Ca O3 P2 S4 -","- C36 H42 Ca O3 P2 S4 -","- C144 H168 Ca4 O12 P8 S16 -","4","1","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.0961","0.0522","","","0.1189","0.1381","","","","","","1.018","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329762","8.899","0.0018","26.29","0.005","15.472","0.003","90","","103.45","0.03","90","","3520.5","1.3","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H36 Ca O2 P2 Se4 -","- C32 H36 Ca O2 P2 Se4 -","- C128 H144 Ca4 O8 P8 Se16 -","4","2","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.0553","0.0389","","","0.077","0.0817","","","","","","1.038","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329763","15.7762","0.0004","13.1205","0.0005","20.0254","0.0006","90","","108.406","0.002","90","","3933","0.2","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 O3 P2 S4 Sr -","- C36 H44 O3 P2 S4 Sr -","- C144 H176 O12 P8 S16 Sr4 -","4","2","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.1264","0.0586","","","0.0988","0.1136","","","","","","0.948","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329764","17.2391","0.0003","32.196","0.0004","21.9626","0.0004","90","","102.443","0.001","90","","11903.6","0.3","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 O3 P2 Se4 Sr -","- C36 H44 O3 P2 Se4 Sr -","- C432 H528 O36 P24 Se48 Sr12 -","12","3","","Tareq M. A. Al-Shboul; Gritt Volland; Helmar Görls; Sven Krieck; Matthias Westerhausen","Oxidation Products of Calcium and Strontium Bis(diphenylphosphanide)","Inorganic Chemistry","2012","51","","7903","7912","10.1021/ic300975s","","","0.71073","MoKα","","0.1485","0.058","","","0.0916","0.1059","","","","","","0.924","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329765","11.2718","0.0005","12.0524","0.0003","23.6075","0.001","101.715","0.003","98.154","0.004","105.209","0.003","2965","0.2","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","bis(2-(diphenylphosphanyl)benzenethiolato) [2-(ethenylsulfanyl)phenyl] diphenylphosphine ruthenium(II)","bis(2-(diphenylphosphanyl)benzenethiolato) [2-(ethenylsulfanyl)phenyl] diphenylphosphine ruthenium(II)","","- C73.5 H61 P3 Ru S3 -","- C73.5 H61 P3 Ru S3 -","- C147 H122 P6 Ru2 S6 -","2","1","","Rajat Chauhan; Mark S. Mashuta; Craig A. Grapperhaus","Selective and Reversible Base-Induced Elimination of a Ruthenium Dithioether Yields a Vinyl Metallosulfonium Complex","Inorganic Chemistry","2012","51","","7913","7920","10.1021/ic300983x","","","0.71073","MoKα","","0.0562","0.0383","","","0.0763","0.0849","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329766","9.3739","0.0008","15.2154","0.0013","17.8484","0.0015","104.176","0.002","94.472","0.002","96.615","0.002","2436.8","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H53 Mo6 N5.25 O39 P4 Rb0.75 S2 -","- C8 H16 Mo6 O40 P4 Rb0.75 S2 -","- C16 H32 Mo12 O80 P8 Rb1.5 S4 -","2","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.0832","0.0524","","","0.1481","0.1619","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4329767","17.642","0.003","16.841","0.002","17.587","0.003","90","","108.198","0.003","90","","4963.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H54 Mo6 N10 O40 P4 -","- C10 H12 Mo6 N4 O46.5 P4 -","- C40 H48 Mo24 N16 O186 P16 -","4","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.1334","0.0659","","","0.1485","0.1704","","","","","","0.962","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4329768","17.6396","0.0013","10.3314","0.0008","17.5641","0.0014","90","","109.898","0.003","90","","3009.8","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Br Mo N7 O19 P4 -","- C8 H40 Br Mo N7 O19 P4 -","- C32 H160 Br4 Mo4 N28 O76 P16 -","4","0.5","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.0355","0.0297","","","0.0833","0.0877","","","","","","1.071","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329769","17.526","0.003","10.3824","0.0016","17.522","0.003","90","","109.726","0.006","90","","3001.2","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C8 H52 Cl Cs0.5 N6.5 O23 P4 W -","- C8 H38 Cl Cs0.5 N6.5 O18.5 P4 W -","- C32 H152 Cl4 Cs2 N26 O74 P16 W4 -","4","0.5","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.023","0.0224","","","0.0645","0.0649","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329770","15.6504","0.0007","20.8102","0.001","23.9756","0.0013","90","","90","","90","","7808.6","0.7","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C16 H80 N4 Na6 O60 P8 Rb2 V6 -","- C16 H36 N4 Na3.25 O52.25 P8 Rb2 V6 -","- C64 H144 N16 Na13 O209 P32 Rb8 V24 -","4","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.1253","0.0902","","","0.2598","0.2814","","","","","","1.071","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329771","27.4347","0.001","15.5104","0.0004","9.9631","0.0003","90","","90","","90","","4239.5","0.2","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C8 H46 N4 O34 P4 Rb2 V5 -","- C8 H18 N2 O35 P4 Rb2 V5 -","- C32 H72 N8 O140 P16 Rb8 V20 -","4","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.0568","0.0538","","","0.165","0.1665","","","","","","1.089","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4329772","14.357","0.006","30.538","0.013","9.42","0.004","90","","90","","90","","4130","3","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10 H42 K1.5 N6.5 O34 P4 V5 -","- C10 H12 K1.5 N6.5 O31 P4 V5 -","- C40 H48 K6 N26 O124 P16 V20 -","4","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.1041","0.0595","","","0.1533","0.1781","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329773","15.235","0.004","12.776","0.003","25.589","0.006","90","","104.256","0.006","90","","4827","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H47 N6 Na3 O37 P6 V3 -","- C15 H17 N6 Na1.25 O33 P6 V3 -","- C60 H68 N24 Na5 O132 P24 V12 -","4","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.1373","0.0988","","","0.2751","0.2963","","","","","","1.019","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4329774","18.5212","0.001","19.1208","0.0012","21.8744","0.0013","94.751","0.005","92.468","0.005","110.717","0.005","7199","0.8","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C143 H126 Dy7 N10 O35 -","- C143 H126 Dy7 N10 O35 -","- C286 H252 Dy14 N20 O70 -","2","1","","Angelos B. Canaj; Demetrios I. Tzimopoulos; Aggelos Philippidis; George E. Kostakis; Constantinos J. Milios","A Strongly Blue-Emitting Heptametallic [DyIII7] Centered-Octahedral Single-Molecule Magnet","Inorganic Chemistry","2012","51","","7451","7453","10.1021/ic301038q","","","0.71073","MoKα","","0.1243","0.0596","","","0.1271","0.1479","","","","","","0.986","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329775","11.3369","0.0013","12.1887","0.0014","12.9124","0.0015","70.422","0.005","83.22","0.005","85.278","0.005","1667.6","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H26 Br Fe N4 O8 S2 V -","- C31 H26 Br Fe N4 O8 S2 V -","- C62 H52 Br2 Fe2 N8 O16 S4 V2 -","2","1","","Kisholoy Bhattacharya; Manoranjan Maity; Dhrubajyoti Mondal; Akira Endo; Muktimoy Chaudhury","Targeted Synthesis of Heterobimetallic Compounds Containing a Discrete Vanadium(V)-μ-Oxygen-Iron(III) Core","Inorganic Chemistry","2012","51","","7454","7456","10.1021/ic301054r","","","0.71073","MoKα","","0.1177","0.0643","","","0.173","0.2087","","","","","","1.34","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329776","11.5312","0.0012","12.6039","0.0012","13.4278","0.0013","106.123","0.004","91.676","0.004","98.375","0.004","1849.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Fe N5 O9 S2 V -","- C34 H33 Fe N5 O9 S2 V -","- C68 H66 Fe2 N10 O18 S4 V2 -","2","1","","Kisholoy Bhattacharya; Manoranjan Maity; Dhrubajyoti Mondal; Akira Endo; Muktimoy Chaudhury","Targeted Synthesis of Heterobimetallic Compounds Containing a Discrete Vanadium(V)-μ-Oxygen-Iron(III) Core","Inorganic Chemistry","2012","51","","7454","7456","10.1021/ic301054r","","","0.71073","MoKα","","0.1158","0.0626","","","0.0877","0.0974","","","","","","1.388","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329777","13.3107","0.0007","13.3107","0.0007","69.741","0.007","90","","90","","120","","10700.9","1.3","163","2","163","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C90 H78 N6 Ti -","- C90 H78 N6 Ti -","- C540 H468 N36 Ti6 -","6","0.166667","","Kensha Marie Clark; Jesper Bendix; Alan F. Heyduk; Joseph W. Ziller","Synthesis and Characterization of a Neutral Titanium Tris(iminosemiquinone) Complex Featuring Redox-Active Ligands","Inorganic Chemistry","2012","51","","7457","7459","10.1021/ic301059p","","","0.71073","MoKα","","0.0483","0.0381","","","0.1044","0.114","","","","","","1.061","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4329778","17.6882","0.0001","31.7087","0.0002","47.8925","0.0003","90","","90","","90","","26861.5","0.3","153","2","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 N6 O36 Si W10 -","- C96 N6 O36 Si W10 -","- C768 N48 O288 Si8 W80 -","8","1","","Kosei Sugahara; Shinjiro Kuzuya; Tomohisa Hirano; Keigo Kamata; Noritaka Mizuno","Reversible Deprotonation and Protonation Behaviors of a Tetra-Protonated γ-Keggin Silicodecatungstate","Inorganic Chemistry","2012","51","","7932","7939","10.1021/ic3010773","","x-ray","0.71069","MoKα","","","0.1064","","","","0.2765","","","","","","1.196","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329779","11.7377","0.0004","7.7257","0.0003","11.9543","0.0004","90","","107.671","0.002","90","","1032.89","0.06","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cs3.18 Ge4 O17 U3 -","- Cs3.184 Ge4 O17 U3 -","- Cs6.368 Ge8 O34 U6 -","2","0.25","","Chun-Liang Chen; Quang Bac Nguyen; Chih-Shan Chen; Kwang-Hwa Lii","Mixed-Valence Uranium Germanate and Silicate: Csx(UVO)(UIV/VO)2(Ge2O7)2 (x = 3.18) and Cs4(UVO)(UIV/VO)2(Si2O7)2","Inorganic Chemistry","2012","51","","7463","7465","10.1021/ic301091f","","","0.71073","MoKα","","0.0245","0.0237","","","0.0542","0.0545","","","","","","1.166","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329780","11.594","0.002","7.5438","0.0015","11.894","0.002","90","","107.43","0.03","90","","992.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cs4 O17 Si4 U3 -","- Cs4 O17 Si4 U3 -","- Cs8 O34 Si8 U6 -","2","0.25","","Chun-Liang Chen; Quang Bac Nguyen; Chih-Shan Chen; Kwang-Hwa Lii","Mixed-Valence Uranium Germanate and Silicate: Csx(UVO)(UIV/VO)2(Ge2O7)2 (x = 3.18) and Cs4(UVO)(UIV/VO)2(Si2O7)2","Inorganic Chemistry","2012","51","","7463","7465","10.1021/ic301091f","","","0.71073","MoKα","","0.0253","0.0247","","","0.0656","0.0661","","","","","","1.133","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329781","7.375","0.003","8.286","0.003","14.702","0.007","82.85","0.02","77.77","0.02","67.41","0.02","809.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Br Fe N O5 -","- C14 H16 Br Fe N O5 -","- C28 H32 Br2 Fe2 N2 O10 -","2","1","","Li-Cheng Song; Zhao-Jun Xie; Miao-Miao Wang; Gao-Yu Zhao; Hai-Bin Song","Biomimetic Models for the Active Site of [Fe]Hydrogenase Featuring an Acylmethyl(hydroxymethyl)pyridine Ligand","Inorganic Chemistry","2012","51","","7466","7468","10.1021/ic301146u","","","0.71073","MoKα","","0.0445","0.0313","","","0.0645","0.0666","","","","","","1.046","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329782","27.1","0.03","8.697","0.008","13.528","0.014","90","","118.86","0.02","90","","2792","5","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl2 Fe2 I2 N2 O8 -","- C21 H18 Cl2 Fe2 I2 N2 O8 -","- C84 H72 Cl8 Fe8 I8 N8 O32 -","4","0.5","","Li-Cheng Song; Zhao-Jun Xie; Miao-Miao Wang; Gao-Yu Zhao; Hai-Bin Song","Biomimetic Models for the Active Site of [Fe]Hydrogenase Featuring an Acylmethyl(hydroxymethyl)pyridine Ligand","Inorganic Chemistry","2012","51","","7466","7468","10.1021/ic301146u","","","0.71073","MoKα","","0.0358","0.0281","","","0.0558","0.0575","","","","","","1.019","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329783","7.732","0.012","8.188","0.012","10.99","0.017","98.916","0.015","103.93","0.03","94.99","0.03","661.5","1.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Fe N O5 S -","- C12 H11 Fe N O5 S -","- C24 H22 Fe2 N2 O10 S2 -","2","1","","Li-Cheng Song; Zhao-Jun Xie; Miao-Miao Wang; Gao-Yu Zhao; Hai-Bin Song","Biomimetic Models for the Active Site of [Fe]Hydrogenase Featuring an Acylmethyl(hydroxymethyl)pyridine Ligand","Inorganic Chemistry","2012","51","","7466","7468","10.1021/ic301146u","","","0.71073","MoKα","","0.0369","0.0295","","","0.053","0.0539","","","","","","1.033","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329784","14.544","0.0014","14.751","0.0015","22.0631","0.0015","95.221","0.003","92.255","0.003","112.527","0.004","4339.9","0.7","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H80 Ag4 N16 Pt2 -","- C100 H80 Ag4 N16 Pt2 -","- C200 H160 Ag8 N32 Pt4 -","2","1","","Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi","Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate","Inorganic Chemistry","2012","51","","7977","7992","10.1021/ic202663q","","","0.7107","MoKα","","","0.0967","","","","0.3018","","","","","","1.083","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329785","15.8874","0.001","9.6977","0.0004","27.3674","0.0016","90","","105.624","0.0009","90","","4060.7","0.4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 Cl N6 O Pt -","- C46 H38 Cl N6 O Pt -","- C184 H152 Cl4 N24 O4 Pt4 -","4","1","","Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi","Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate","Inorganic Chemistry","2012","51","","7977","7992","10.1021/ic202663q","","","0.7107","MoKα","","","0.0722","","","","0.1153","","","","","","1.29","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329786","15.438","0.003","17.477","0.003","17.818","0.003","80.488","0.003","84.636","0.003","77.718","0.003","4624.4","1.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H72 Ag4 Cl8 N12 Pt2 -","- C93 H72 Ag4 Cl8 N12 Pt2 -","- C186 H144 Ag8 Cl16 N24 Pt4 -","2","1","","Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi","Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate","Inorganic Chemistry","2012","51","","7977","7992","10.1021/ic202663q","","","0.7107","MoKα","","","0.06","","","","0.1744","","","","","","1.095","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329787","18.183","0.0004","22.6303","0.0005","20.1687","0.0004","90","","90","","90","","8299.2","0.3","296","","296","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C94 H74 Ag2 Cl2 N14 Pt2 -","- C94 H74 Ag2 Cl2 N14 Pt2 -","- C376 H296 Ag8 Cl8 N56 Pt8 -","4","0.5","","Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi","Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate","Inorganic Chemistry","2012","51","","7977","7992","10.1021/ic202663q","","","0.7107","MoKα","","","0.0416","","","","0.086","","","","","","1.218","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329788","18.3146","0.0005","22.6251","0.0005","19.7815","0.0005","90","","90","","90","","8196.9","0.4","296","","296","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C94 H74 Cl2 Cu2 N14 Pt2 -","- C94 H74 Cl2 Cu2 N14 Pt2 -","- C376 H296 Cl8 Cu8 N56 Pt8 -","4","0.5","","Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi","Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate","Inorganic Chemistry","2012","51","","7977","7992","10.1021/ic202663q","","","0.7107","MoKα","","","0.0448","","","","0.0907","","","","","","1.214","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329789","13.8447","0.0004","15.3018","0.0005","41.1566","0.0013","94.524","0.002","92.992","0.002","90.787","0.002","8678.6","0.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C95.5 H76 Ag4 Cl N14 O Pt2 -","- C95.5 H73 Ag4 Cl N14 O Pt2 -","- C382 H292 Ag16 Cl4 N56 O4 Pt8 -","4","2","","Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi","Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate","Inorganic Chemistry","2012","51","","7977","7992","10.1021/ic202663q","","","0.7107","MoKα","","","0.071","","","","0.2115","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329790","9.2781","0.0005","12.2358","0.0015","12.7526","0.001","90","","90.697","0.007","90","","1447.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 N6 Ni2 O2 S2 -","- C26 H38 N6 Ni2 O2 S2 -","- C52 H76 N12 Ni4 O4 S4 -","2","0.5","","Apurba Biswas; Lakshmi Kanta Das; Michael G. B. Drew; Guillem Aromí; Patrick Gamez; Ashutosh Ghosh","Synthesis, Crystal Structures, Magnetic Properties and Catecholase Activity of Double Phenoxido-Bridged Penta-Coordinated Dinuclear Nickel(II) Complexes Derived from Reduced Schiff-Base Ligands: Mechanistic Inference of Catecholase Activity","Inorganic Chemistry","2012","51","","7993","8001","10.1021/ic202748m","","","0.71073","MoKα","","0.0679","0.0376","","","0.0765","0.0818","","","","","","0.882","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329791","7.4806","0.0005","12.5065","0.0007","15.5699","0.001","90","","90.052","0.006","90","","1456.66","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N6 Ni2 O2 S2 -","- C26 H38 N6 Ni2 O2 S2 -","- C52 H76 N12 Ni4 O4 S4 -","2","0.5","","Apurba Biswas; Lakshmi Kanta Das; Michael G. B. Drew; Guillem Aromí; Patrick Gamez; Ashutosh Ghosh","Synthesis, Crystal Structures, Magnetic Properties and Catecholase Activity of Double Phenoxido-Bridged Penta-Coordinated Dinuclear Nickel(II) Complexes Derived from Reduced Schiff-Base Ligands: Mechanistic Inference of Catecholase Activity","Inorganic Chemistry","2012","51","","7993","8001","10.1021/ic202748m","","","0.71073","MoKα","","0.0514","0.036","","","0.0827","0.0853","","","","","","0.929","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329792","8.947","0.005","20.602","0.012","9.435","0.005","90","","115.4","0.006","90","","1571","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N6 Ni2 O2 S2 -","- C28 H42 N6 Ni2 O2 S2 -","- C56 H84 N12 Ni4 O4 S4 -","2","0.5","","Apurba Biswas; Lakshmi Kanta Das; Michael G. B. Drew; Guillem Aromí; Patrick Gamez; Ashutosh Ghosh","Synthesis, Crystal Structures, Magnetic Properties and Catecholase Activity of Double Phenoxido-Bridged Penta-Coordinated Dinuclear Nickel(II) Complexes Derived from Reduced Schiff-Base Ligands: Mechanistic Inference of Catecholase Activity","Inorganic Chemistry","2012","51","","7993","8001","10.1021/ic202748m","","","0.71073","MoKα","","0.073","0.0483","","","0.1068","0.1185","","","","","","1.039","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329793","6.854","0.0002","15.0426","0.0005","15.7853","0.0005","90","","95.7","0.002","90","","1619.45","0.09","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Silver(I) Dioxodifluorovanadate(V) Complex with trans-1,4-bis(1,2,4-triazol-4-yl)cyclohexane, Dihydrate","","- C10 H18 Ag F2 N6 O4 V -","- C10 H18 Ag F2 N6 O4 V -","- C40 H72 Ag4 F8 N24 O16 V4 -","4","1","","Ganna A. Senchyk; Valeriy O. Bukhan'ko; Andrey B. Lysenko; Harald Krautscheid; Eduard B. Rusanov; Alexandr N. Chernega; Miroslaw Karbowiak; Konstantin V. Domasevitch","AgI/VV Heterobimetallic Frameworks Generated from Novel-Type {Ag(VO~2~F~2~)~2~(triazole)~4~} Secondary Building Blocks: A New Aspect in the Design of SVOF Hybrids","Inorganic Chemistry","2012","51","","8025","8033","10.1021/ic3000894","","","0.71073","MoKα","","0.0623","0.04","","","0.0878","0.0936","","","","","","1.022","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4329794","6.6737","0.0003","18.8769","0.0009","13.5525","0.0007","90","","95.266","0.003","90","","1700.12","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Silver(I) Perchlorate Complex with 1,3-bis(1,2,4-triazol-4-yl)adamantane","","- C14 H18 Ag Cl N6 O4 -","- C14 H18 Ag Cl N6 O4 -","- C56 H72 Ag4 Cl4 N24 O16 -","4","1","","Ganna A. Senchyk; Valeriy O. Bukhan'ko; Andrey B. Lysenko; Harald Krautscheid; Eduard B. Rusanov; Alexandr N. Chernega; Miroslaw Karbowiak; Konstantin V. Domasevitch","AgI/VV Heterobimetallic Frameworks Generated from Novel-Type {Ag(VO~2~F~2~)~2~(triazole)~4~} Secondary Building Blocks: A New Aspect in the Design of SVOF Hybrids","Inorganic Chemistry","2012","51","","8025","8033","10.1021/ic3000894","","","0.71073","MoKα","","0.1083","0.0564","","","0.0975","0.1121","","","","","","0.995","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4329795","7.1282","0.0007","10.366","0.001","12.1661","0.0012","81.209","0.011","76.684","0.011","80.201","0.011","855.96","0.15","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","Silver(I) Dioxodifluorovanadate(V) Complex with 1,3-bis(1,2,4-triazol-4-yl)adamantane, Semihydrate","","- C28 H38 Ag2 F4 N12 O5 V2 -","- C28 H36 Ag2 F4 N12 O5 V2 -","- C28 H36 Ag2 F4 N12 O5 V2 -","1","0.5","","Ganna A. Senchyk; Valeriy O. Bukhan'ko; Andrey B. Lysenko; Harald Krautscheid; Eduard B. Rusanov; Alexandr N. Chernega; Miroslaw Karbowiak; Konstantin V. Domasevitch","AgI/VV Heterobimetallic Frameworks Generated from Novel-Type {Ag(VO~2~F~2~)~2~(triazole)~4~} Secondary Building Blocks: A New Aspect in the Design of SVOF Hybrids","Inorganic Chemistry","2012","51","","8025","8033","10.1021/ic3000894","","","0.71073","MoKα","","0.0313","0.023","","","0.0505","0.0514","","","","","","0.891","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4329796","5.8099","0.0001","14.394","0.0003","13.797","0.0004","90","","92.745","0.002","90","","1152.49","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Silver(I) Dioxodifluorovanadate(V) Complex with 1,2-bis(1,2,4-triazol-4-yl)ethane, Hydrate","","- C6 H10 Ag F2 N6 O3 V -","- C6 H10 Ag F2 N6 O3 V -","- C24 H40 Ag4 F8 N24 O12 V4 -","4","1","","Ganna A. Senchyk; Valeriy O. Bukhan'ko; Andrey B. Lysenko; Harald Krautscheid; Eduard B. Rusanov; Alexandr N. Chernega; Miroslaw Karbowiak; Konstantin V. Domasevitch","AgI/VV Heterobimetallic Frameworks Generated from Novel-Type {Ag(VO~2~F~2~)~2~(triazole)~4~} Secondary Building Blocks: A New Aspect in the Design of SVOF Hybrids","Inorganic Chemistry","2012","51","","8025","8033","10.1021/ic3000894","","","0.71073","MoKα","","0.0433","0.0356","","","0.069","0.0718","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4329797","11.266","0.0002","14.069","0.0004","17.2816","0.0003","110.42","0.0019","99.5765","0.0017","101.542","0.002","2430.51","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Ce N6 O6 P3 -","- C42 H42 Ce N6 O6 P3 -","- C84 H84 Ce2 N12 O12 P6 -","2","1","","James W. Walton; Rachel Carr; Nicholas H. Evans; Alexander M. Funk; Alan M. Kenwright; David Parker; Dmitry S. Yufit; Mauro Botta; Sara De Pinto; Ka-Leung Wong","Isostructural Series of Nine-Coordinate Chiral Lanthanide Complexes Based on Triazacyclononane","Inorganic Chemistry","2012","51","","8042","8056","10.1021/ic300147p","","","0.7107","MoKα","","0.0473","0.0366","","","0.0801","0.0837","","","","","","0.981","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329798","16.3654","0.0018","15.8012","0.0015","14.3552","0.0016","90","","108.37","0.012","90","","3523","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 B2 F8 Ru -","- C38 H34 B2 F8 Ru -","- C152 H136 B8 F32 Ru4 -","4","1","","Celedonio M. Álvarez; Héctor Barbero; Luis A. García-Escudero; Jose M. Martín-Alvarez; Cristina Martínez-Pérez; Daniel Miguel","η6-Hexahelicene Complexes of Iridium and Ruthenium: Running along the Helix","Inorganic Chemistry","2012","51","","8103","8111","10.1021/ic300462z","","","0.71073","MoKα","","0.2321","0.0936","","","0.2243","0.2588","","","","","","1.01","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329799","3.958","0.0002","3.958","0.0002","6.7468","0.0003","90","","90","","90","","105.694","0.009","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","thorium oxysulfide","thorium(IV) oxide sulfide","","- O S Th -","- O S Th -","- O2 S2 Th2 -","2","0.125","","Lukasz A. Koscielski; Emilie Ringe; Richard P. Van Duyne; Donald E. Ellis; James A. Ibers","Single-Crystal Structures, Optical Absorptions, and Electronic Distributions of Thorium Oxychalcogenides ThOQ (Q = S, Se, Te)","Inorganic Chemistry","2012","51","","8112","8118","10.1021/ic300510x","","","0.71073","MoKα","","0.0134","0.0134","","","0.0298","0.0298","","","","","","1.781","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329800","4.0176","0.0004","4.0176","0.0004","7.0198","0.0006","90","","90","","90","","113.307","0.019","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","thorium oxyselenide","thorium(IV) oxide selenide","","- O Se Th -","- O Se Th -","- O2 Se2 Th2 -","2","0.125","","Lukasz A. Koscielski; Emilie Ringe; Richard P. Van Duyne; Donald E. Ellis; James A. Ibers","Single-Crystal Structures, Optical Absorptions, and Electronic Distributions of Thorium Oxychalcogenides ThOQ (Q = S, Se, Te)","Inorganic Chemistry","2012","51","","8112","8118","10.1021/ic300510x","","","0.71073","MoKα","","0.0182","0.0177","","","0.0443","0.0445","","","","","","1.419","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329801","4.1173","0.0003","4.1173","0.0003","7.5289","0.0006","90","","90","","90","","127.631","0.017","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","thorium oxytelluride","thorium(IV) oxide telluride","","- O Te Th -","- O Te Th -","- O2 Te2 Th2 -","2","0.125","","Lukasz A. Koscielski; Emilie Ringe; Richard P. Van Duyne; Donald E. Ellis; James A. Ibers","Single-Crystal Structures, Optical Absorptions, and Electronic Distributions of Thorium Oxychalcogenides ThOQ (Q = S, Se, Te)","Inorganic Chemistry","2012","51","","8112","8118","10.1021/ic300510x","","","0.71073","MoKα","","0.013","0.013","","","0.0345","0.0345","","","","","","1.724","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329802","9.8833","0.0007","7.1251","0.0003","5.0895","0.0003","90","","90","","90","","358.4","0.04","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As Cd4 Cu7 -","- As Cd4 Cu7 -","- As2 Cd8 Cu14 -","2","0.25","","Oliver Osters; Tom Nilges; Michael Schöneich; Peer Schmidt; Jan Rothballer; Florian Pielnhofer; Richard Weihrich","Cd4Cu7As, The First Representative of a Fully Ordered, Orthorhombically Distorted MgCu2 Laves Phase","Inorganic Chemistry","2012","51","","8119","8127","10.1021/ic3005213","","x-ray","0.71073","MoKα","","0.0247","0.0175","","0.041","0.0377","","","","1.29","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329803","7.0779","0.0008","7.0779","0.0008","7.0779","0.0008","90","","90","","90","","354.58","0.07","293","","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As1.12 Cd4 Cu6.88 -","- As1.12 Cd4 Cu6.88 -","- As2.24 Cd8 Cu13.76 -","2","0.0104167","","Oliver Osters; Tom Nilges; Michael Schöneich; Peer Schmidt; Jan Rothballer; Florian Pielnhofer; Richard Weihrich","Cd4Cu7As, The First Representative of a Fully Ordered, Orthorhombically Distorted MgCu2 Laves Phase","Inorganic Chemistry","2012","51","","8119","8127","10.1021/ic3005213","","x-ray","0.71073","MoKα","","0.0163","0.0163","","0.0373","0.0373","","","","3","3","3","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329804","8.5454","0.0003","11.7953","0.0005","11.8973","0.0005","78.854","0.004","74.315","0.004","81.414","0.003","1126.77","0.08","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H26 Cl2 Co N18 O12 Se6 -","- C30 H26 Cl2 Co N18 O12 Se6 -","- C30 H26 Cl2 Co N18 O12 Se6 -","1","0.5","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.1112","0.0533","","","0.1023","0.1249","","","","","","1.009","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329805","11.2836","0.0008","8.3584","0.0005","12.711","0.0008","90","","111.156","0.008","90","","1118.01","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N3 Se -","- C5 H3 N3 Se -","- C40 H24 N24 Se8 -","8","2","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.1105","0.0509","","","0.1051","0.1475","","","","","","1.131","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329806","11.823","0.003","24.824","0.006","48.413","0.011","90","","90","","90","","14209","6","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C43 H35 Cu4 F24 N25 O P4 Se7 -","- C43 H35 Cu4 F24 N25 O P4 Se7 -","- C344 H280 Cu32 F192 N200 O8 P32 Se56 -","8","1","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.1553","0.0961","","","0.2224","0.2456","","","","","","0.977","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329807","17.964","0.002","9.3797","0.0009","12.7632","0.0017","90","","112.678","0.007","90","","1984.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 Cl2 Cu2 N9 Se3 -","- C15 H9 Cl2 Cu2 N9 Se3 -","- C60 H36 Cl8 Cu8 N36 Se12 -","4","0.5","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.09","0.0614","","","0.127","0.1365","","","","","","1.139","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329808","21.297","0.004","13.268","0.003","14.07","0.003","90","","96.189","0.012","90","","3952.6","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 Cl Cu N9 O4 Se3 -","- C15 H9 Cl Cu N9 O4 Se3 -","- C120 H72 Cl8 Cu8 N72 O32 Se24 -","8","1","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.1163","0.0527","","","0.1136","0.1384","","","","","","0.979","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329809","7.0106","0.0003","11.4083","0.0003","10.353","0.0003","90","","91.257","0.003","90","","827.82","0.05","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H6 Ag2 N8 O6 Se2 -","- C10 H6 Ag2 N8 O6 Se2 -","- C20 H12 Ag4 N16 O12 Se4 -","2","0.5","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.06","0.0295","","","0.0552","0.0602","","","","","","0.896","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329810","7.87","0.004","10.539","0.005","12.227","0.006","94.575","0.016","93.754","0.018","102.847","0.016","982","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H12 Ag4 F12 N12 O8 Se4 -","- C28 H12 Ag4 F11.904 N12 O8 Se4 -","- C28 H12 Ag4 F11.904 N12 O8 Se4 -","1","0.5","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.1208","0.0433","","","0.0866","0.097","","","","","","1.073","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329811","11.2674","0.0007","11.4607","0.0008","13.3644","0.0008","100.188","0.004","96.877","0.003","106.36","0.003","1603.31","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N12 O11 Se4 -","- C20 H18 Cl2 Cu N12 O11 Se4 -","- C40 H36 Cl4 Cu2 N24 O22 Se8 -","2","1","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.0729","0.0338","","","0.0664","0.0763","","","","","","1.01","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329812","17.2767","0.0007","11.5563","0.0003","18.8398","0.0006","90","","114.083","0.004","90","","3434","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl5 Cu N12 O9 Se4 -","- C21 H15 Cl5 Cu N12 O9 Se4 -","- C84 H60 Cl20 Cu4 N48 O36 Se16 -","4","1","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.0751","0.0454","","","0.0975","0.1098","","","","","","1.078","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329813","11.4192","0.0003","14.1808","0.0005","20.665","0.0006","79.063","0.003","74.977","0.002","86.968","0.002","3173.25","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Cu2 N28 O20.01 Se8 -","- C40 H40 Cu2 N28.005 O20.013 Se8 -","- C80 H80 Cu4 N56.01 O40.026 Se16 -","2","1","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.1575","0.0742","","","0.1962","0.2686","","","","","","1.188","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329814","45.9586","0.0002","96.6583","0.0012","8.463","0.002","90","","90","","90","","37595","9","133","2","133","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45 H42 Cl2 N8 Ni4 O12 -","- C45 H42 Cl2 N8 Ni4 O12 -","- C1440 H1344 Cl64 N256 Ni128 O384 -","32","2","","Animesh Das; Felix J. Klinke; Serhiy Demeshko; Steffen Meyer; Sebastian Dechert; Franc Meyer","Reversible Solvatomagnetic Effect in Novel Tetranuclear Cubane-Type Ni4 Complexes and Magnetostructural Correlations for the [Ni4(μ3-O)4] Core","Inorganic Chemistry","2012","51","","8141","8149","10.1021/ic300535d","","","0.71073","MoKα","","0.0792","0.0509","","","0.0787","0.0842","","","","","","1.006","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329815","16.812","0.0007","16.812","0.0007","17.5449","0.0009","90","","90","","90","","4958.9","0.4","133","2","133","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H56 N8 Ni4 O13 -","- C48 H56 N8 Ni4 O13 -","- C192 H224 N32 Ni16 O52 -","4","0.25","","Animesh Das; Felix J. Klinke; Serhiy Demeshko; Steffen Meyer; Sebastian Dechert; Franc Meyer","Reversible Solvatomagnetic Effect in Novel Tetranuclear Cubane-Type Ni4 Complexes and Magnetostructural Correlations for the [Ni4(μ3-O)4] Core","Inorganic Chemistry","2012","51","","8141","8149","10.1021/ic300535d","","","0.71073","MoKα","","0.1179","0.0622","","","0.1373","0.154","","","","","","1.012","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329816","9.2598","0.0003","11.9585","0.0002","26.1511","0.0007","90","","90.022","0.002","90","","2895.8","0.13","133","2","133","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H72 N8 Ni4 O16 -","- C56 H72 N8 Ni4 O16 -","- C112 H144 N16 Ni8 O32 -","2","0.5","","Animesh Das; Felix J. Klinke; Serhiy Demeshko; Steffen Meyer; Sebastian Dechert; Franc Meyer","Reversible Solvatomagnetic Effect in Novel Tetranuclear Cubane-Type Ni4 Complexes and Magnetostructural Correlations for the [Ni4(μ3-O)4] Core","Inorganic Chemistry","2012","51","","8141","8149","10.1021/ic300535d","","","0.71073","MoKα","","0.0217","0.0212","","","0.0553","0.0555","","","","","","1.095","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329817","12.491","0.005","10.176","0.005","14.888","0.005","90","0.005","92.439","0.005","90","0.005","1890.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 N10 Ni3 O10 -","- C28 H44 N10 Ni3 O10 -","- C56 H88 N20 Ni6 O20 -","2","0.5","","Rituparna Biswas; Sandip Mukherjee; Paramita Kar; Ashutosh Ghosh","A Rare Phenoxido/Acetato/Azido Bridged Trinuclear and an Unprecedented Phenoxido/Azido Bridged One-Dimensional Polynuclear Nickel(II) Complexes: Synthesis, Crystal Structure, and Magnetic Properties with Theoretical Investigations on the Exchange Mechanism","Inorganic Chemistry","2012","51","","8150","8160","10.1021/ic300547w","","","0.71073","MoKα","","0.1001","0.0552","","","0.146","0.17","","","","","","1.062","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329818","17.8499","0.0018","13.259","0.0013","11.9339","0.0012","90","","90","","90","","2824.4","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H17 N5 Ni O -","- C12 H17 N5 Ni O -","- C96 H136 N40 Ni8 O8 -","8","1","","Rituparna Biswas; Sandip Mukherjee; Paramita Kar; Ashutosh Ghosh","A Rare Phenoxido/Acetato/Azido Bridged Trinuclear and an Unprecedented Phenoxido/Azido Bridged One-Dimensional Polynuclear Nickel(II) Complexes: Synthesis, Crystal Structure, and Magnetic Properties with Theoretical Investigations on the Exchange Mechanism","Inorganic Chemistry","2012","51","","8150","8160","10.1021/ic300547w","","","0.71073","MoKα","","0.0609","0.037","","","0.086","0.0984","","","","","","1.031","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329819","10.5641","0.0005","10.7536","0.0005","17.1299","0.0009","88.685","0.002","78.42","0.002","82.808","0.002","1891.38","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 Li N9 Ti -","- C45 H39 Li N9 Ti -","- C90 H78 Li2 N18 Ti2 -","2","1","","Brenda A. Frazier; Peter T. Wolczanski; Ivan Keresztes; Serena DeBeer; Emil B. Lobkovsky; Aaron W. Pierpont; Thomas R. Cundari","Synthetic Approaches to (smif)2Ti (smif = 1,3-di-(2-pyridyl)-2-azaallyl) Reveal Redox Non-Innocence and C-C Bond-Formation","Inorganic Chemistry","2012","51","","8177","8186","10.1021/ic300590t","","","0.71073","MoKα","","0.0625","0.0416","","","0.0987","0.1084","","","","","","1.089","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329820","10.3296","0.0005","18.426","0.0009","15.6319","0.0007","90","","98.601","0.003","90","","2941.8","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Cl Ge N3 P -","- C27 H43 Cl Ge N3 P -","- C108 H172 Cl4 Ge4 N12 P4 -","4","1","","Juan Manuel García; Edgar Ocando Mavárez; Tsuyoshi Kato; David Santiago Coll; Alexander Briceño; Nathalie Saffon-Merceron; Antoine Bacereido","Synthesis and Characterization of Rhodium Complexes with Phosphine-Stabilized Germylenes","Inorganic Chemistry","2012","51","","8187","8193","10.1021/ic300600c","","","0.71073","MoKα","","0.1839","0.0621","","","0.1392","0.1987","","","","","","0.998","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329821","18.7398","0.0003","16.2976","0.0002","10.7861","0.0002","90","","101.61","0.001","90","","3226.82","0.09","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Ge N3 P -","- C33 H48 Ge N3 P -","- C132 H192 Ge4 N12 P4 -","4","1","","Juan Manuel García; Edgar Ocando Mavárez; Tsuyoshi Kato; David Santiago Coll; Alexander Briceño; Nathalie Saffon-Merceron; Antoine Bacereido","Synthesis and Characterization of Rhodium Complexes with Phosphine-Stabilized Germylenes","Inorganic Chemistry","2012","51","","8187","8193","10.1021/ic300600c","","","0.71073","MoKα","","0.0589","0.0363","","","0.0815","0.0908","","","","","","1.021","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329822","40.324","0.01","10.852","0.002","20.025","0.005","90","","105.206","0.006","90","","8456","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H61 Cl2 Ge N3 P Rh -","- C41 H60 Cl Ge N3 P Rh -","- C328 H480 Cl8 Ge8 N24 P8 Rh8 -","8","1","","Juan Manuel García; Edgar Ocando Mavárez; Tsuyoshi Kato; David Santiago Coll; Alexander Briceño; Nathalie Saffon-Merceron; Antoine Bacereido","Synthesis and Characterization of Rhodium Complexes with Phosphine-Stabilized Germylenes","Inorganic Chemistry","2012","51","","8187","8193","10.1021/ic300600c","","","0.7107","MoKα","","0.0824","0.0595","","","0.1229","0.1353","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329823","32.83","0.008","39.87","0.007","11.24","0.003","90","","90","","90","","14712","6","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C35 H54 Cl2 Ge N3 P Rh -","- C35 H54 Cl2 Ge N3 P Rh -","- C560 H864 Cl32 Ge16 N48 P16 Rh16 -","16","1","","Juan Manuel García; Edgar Ocando Mavárez; Tsuyoshi Kato; David Santiago Coll; Alexander Briceño; Nathalie Saffon-Merceron; Antoine Bacereido","Synthesis and Characterization of Rhodium Complexes with Phosphine-Stabilized Germylenes","Inorganic Chemistry","2012","51","","8187","8193","10.1021/ic300600c","","","0.71073","MoKα","","0.043","0.0307","","","0.0692","0.08","","","","","","1.179","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329824","15.7479","0.0019","9.8664","0.0012","15.2144","0.0018","90","","95.654","0.002","90","","2352.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 Fe N6 O8 -","- C18 H26 Cl2 Fe N6 O8 -","- C72 H104 Cl8 Fe4 N24 O32 -","4","1","","Musa S. Shongwe; Usama A. Al-Zaabi; Faizah Al-Mjeni; Carla S. Eribal; Ekkehard Sinn; Imaddin A. Al-Omari; Hussein H. Hamdeh; Dariusz Matoga; Harry Adams; Michael J. Morris; Arnold L. Rheingold; Eckhard Bill; David J. Sellmyer","Accessibility and Selective Stabilization of the Principal Spin States of Iron by Pyridyl versus Phenolic Ketimines: Modulation of the 6A1\λeftarrow\ρightarrow2T2 Ground-State Transformation of the [FeN4O2]+ Chromophore","Inorganic Chemistry","2012","51","","8241","8253","10.1021/ic300732r","","","0.71073","MoKα","","0.0969","0.0553","","","0.136","0.1527","","","","","","1.02","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329825","16.3596","0.0018","10.413","0.0012","15.3533","0.0017","90","","97.84","0.001","90","","2591","0.5","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl2 Fe N6 O8 -","- C20 H30 Fe N6 -","- C80 H120 Fe4 N24 -","4","1","","Musa S. Shongwe; Usama A. Al-Zaabi; Faizah Al-Mjeni; Carla S. Eribal; Ekkehard Sinn; Imaddin A. Al-Omari; Hussein H. Hamdeh; Dariusz Matoga; Harry Adams; Michael J. Morris; Arnold L. Rheingold; Eckhard Bill; David J. Sellmyer","Accessibility and Selective Stabilization of the Principal Spin States of Iron by Pyridyl versus Phenolic Ketimines: Modulation of the 6A1\λeftarrow\ρightarrow2T2 Ground-State Transformation of the [FeN4O2]+ Chromophore","Inorganic Chemistry","2012","51","","8241","8253","10.1021/ic300732r","","","0.71073","MoKα","","0.0774","0.0555","","","0.1293","0.138","","","","","","1.073","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329826","8.0933","0.0008","8.6263","0.0008","33.904","0.003","90","","90.77","0.001","90","","2366.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl Fe N4 O6 -","- C22 H30 Cl Fe N4 O6 -","- C88 H120 Cl4 Fe4 N16 O24 -","4","1","","Musa S. Shongwe; Usama A. Al-Zaabi; Faizah Al-Mjeni; Carla S. Eribal; Ekkehard Sinn; Imaddin A. Al-Omari; Hussein H. Hamdeh; Dariusz Matoga; Harry Adams; Michael J. Morris; Arnold L. Rheingold; Eckhard Bill; David J. Sellmyer","Accessibility and Selective Stabilization of the Principal Spin States of Iron by Pyridyl versus Phenolic Ketimines: Modulation of the 6A1\λeftarrow\ρightarrow2T2 Ground-State Transformation of the [FeN4O2]+ Chromophore","Inorganic Chemistry","2012","51","","8241","8253","10.1021/ic300732r","","","0.71073","MoKα","","0.0415","0.0365","","","0.0983","0.1014","","","","","","1.008","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329827","5.6177","0.0002","20.4136","0.0008","6.7833","0.0003","90","","104.412","0.003","90","","753.41","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","","Musa S. Shongwe; Usama A. Al-Zaabi; Faizah Al-Mjeni; Carla S. Eribal; Ekkehard Sinn; Imaddin A. Al-Omari; Hussein H. Hamdeh; Dariusz Matoga; Harry Adams; Michael J. Morris; Arnold L. Rheingold; Eckhard Bill; David J. Sellmyer","Accessibility and Selective Stabilization of the Principal Spin States of Iron by Pyridyl versus Phenolic Ketimines: Modulation of the 6A1\λeftarrow\ρightarrow2T2 Ground-State Transformation of the [FeN4O2]+ Chromophore","Inorganic Chemistry","2012","51","","8241","8253","10.1021/ic300732r","","","0.71073","MoKα","","0.0677","0.0487","","","0.1331","0.1463","","","","","","0.998","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329828","11.5","0.004","11.623","0.004","14.007","0.004","81.618","0.004","73.509","0.004","61.073","0.003","1571.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Fe2 N4 O5 -","- C36 H36 Fe2 N4 O5 -","- C72 H72 Fe4 N8 O10 -","2","1","","Musa S. Shongwe; Usama A. Al-Zaabi; Faizah Al-Mjeni; Carla S. Eribal; Ekkehard Sinn; Imaddin A. Al-Omari; Hussein H. Hamdeh; Dariusz Matoga; Harry Adams; Michael J. Morris; Arnold L. Rheingold; Eckhard Bill; David J. Sellmyer","Accessibility and Selective Stabilization of the Principal Spin States of Iron by Pyridyl versus Phenolic Ketimines: Modulation of the 6A1\λeftarrow\ρightarrow2T2 Ground-State Transformation of the [FeN4O2]+ Chromophore","Inorganic Chemistry","2012","51","","8241","8253","10.1021/ic300732r","","","0.71073","MoKα","","0.1111","0.069","","","0.1696","0.1925","","","","","","1.071","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329829","6.5182","0.0003","13.0335","0.0006","10.8415","0.0005","90","","101.686","0.002","90","","901.95","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6.91 H20.74 Cl3.09 N2 Si4 -","- C6.912 H20.736 Cl3.088 N2 Si4 -","- C13.824 H41.472 Cl6.176 N4 Si8 -","2","0.5","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0545","0.0385","","","0.1072","0.1158","","","","","","1.09","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329830","23.891","0.0004","23.891","0.0004","6.5072","0.0001","90","","90","","120","","3216.57","0.09","173","2","173","2","","","","","","","","6","P 32","P 32","145","","N,N-bis(trimethylsilyl)amino(dichloro)stibane","","- C6 H18 Cl2 N Sb Si2 -","- C6 H18 Cl2 N Sb Si2 -","- C54 H162 Cl18 N9 Sb9 Si18 -","9","3","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0432","0.0301","","","0.0437","0.0463","","","","","","0.982","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329831","16.953","0.012","19.071","0.013","19.49","0.013","90.888","0.019","103.057","0.017","97.44","0.02","6080","7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 Cl2 N Sb Si -","- C30 H37 Cl2 N Sb Si -","- C240 H296 Cl16 N8 Sb8 Si8 -","8","4","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0995","0.0431","","","0.0922","0.1256","","","","","","1.108","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329832","16.8457","0.0007","19.0016","0.0006","19.5364","0.0008","90.484","0.001","103.1","0.002","97.551","0.001","6033.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H38 Cl2 N Sb Si -","- C30.4982 H37.998 Cl2 N Sb Si -","- C243.986 H303.984 Cl16 N8 Sb8 Si8 -","8","4","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.1016","0.0417","","","0.0724","0.0915","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329833","16.8761","0.0006","19.0256","0.0006","19.541","0.0006","90.728","0.002","103.704","0.002","97.391","0.002","6038.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 Cl2 N Sb Si -","- C30 H37 Cl2 N Sb Si -","- C240 H296 Cl16 N8 Sb8 Si8 -","8","4","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.1334","0.0443","","","0.0802","0.1125","","","","","","1.013","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329834","9.4575","0.0002","17.0048","0.0005","15.3164","0.0004","90","","90.393","0.001","90","","2463.17","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-chlorodimethylsilyl-N-[2,4,6-tri-tert.-butylphenyl]amino-chloro- methylstibane","","- C21 H38 Cl2 N Sb Si -","- C21 H38 Cl2 N Sb Si -","- C84 H152 Cl8 N4 Sb4 Si4 -","4","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0447","0.0281","","","0.0657","0.069","","","","","","1.002","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329835","10.7029","0.0004","15.7205","0.0006","16.4317","0.0006","90","","95.279","0.002","90","","2752.99","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-azidodimethylsilyl-N-[2,6-bis(2,4,6-trimethylphenyl)phenyl]amino-chloro- methylstibane","","- C27 H34 Cl N4 Sb Si -","- C27 H34 Cl N4 Sb Si -","- C108 H136 Cl4 N16 Sb4 Si4 -","4","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0374","0.0259","","","0.0656","0.0689","","","","","","1.046","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329836","21.987","0.009","9.225","0.004","16.128","0.008","90","","109.841","0.013","90","","3077","2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","N-(trifluoromethylsulfonyl)dimethylsilyl-N-[2,6-bis(2,4,6-trimethylphenyl) phenyl]amino-chloro-methylstibane","","- C28 H34 Cl F3 N O3 S Sb Si -","- C28 H34 Cl F3 N O3 S Sb Si -","- C112 H136 Cl4 F12 N4 O12 S4 Sb4 Si4 -","4","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0556","0.0395","","","0.0986","0.1039","","","","","","1.058","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329837","12.7326","0.0004","17.7845","0.0006","15.0869","0.0005","90","","96.109","0.002","90","","3396.92","0.19","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 F6 N O6 S2 Sb Si -","- C29 H34 F6 N O6 S2 Sb Si -","- C116 H136 F24 N4 O24 S8 Sb4 Si4 -","4","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0992","0.0496","","","0.1196","0.1308","","","","","","1.086","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329838","10.8087","0.0003","11.6186","0.0004","12.4497","0.0004","72.464","0.001","71.959","0.001","87.985","0.001","1414.59","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 Cl0.13 N6.63 Sb Si -","- C27 H34 Cl0.125 N6.625 Sb Si -","- C54 H68 Cl0.25 N13.25 Sb2 Si2 -","2","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0298","0.024","","","0.0595","0.0636","","","","","","1.054","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329839","10.7944","0.0002","11.6711","0.0002","12.4607","0.0002","72.45","0.001","71.932","0.001","87.854","0.001","1420.23","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 Cl0.07 N6.79 Sb Si -","- C27 H34 Cl0.07 N6.79 Sb Si -","- C54 H68 Cl0.14 N13.58 Sb2 Si2 -","2","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0611","0.0364","","","0.0691","0.0772","","","","","","1.029","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329840","10.7831","0.0002","11.6904","0.0002","12.4591","0.0002","72.468","0.001","71.897","0.001","87.852","0.001","1420.76","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N7 Sb Si -","- C27 H34 N7 Sb Si -","- C54 H68 N14 Sb2 Si2 -","2","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0665","0.0382","","","0.0681","0.0766","","","","","","1.025","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329841","16.967","0.0005","10.7794","0.0003","19.7346","0.0005","90","","104.749","0.002","90","","3490.42","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 N O2 Sb Si -","- C35 H52 N O2 Sb Si -","- C140 H208 N4 O8 Sb4 Si4 -","4","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0452","0.0282","","","0.0681","0.0731","","","","","","1.014","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329842","12.2178","0.0008","12.4889","0.0008","14.0336","0.0009","97.212","0.004","113.962","0.003","92.687","0.004","1930","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H40 Cl11 Ga2 N2 Sb Si4 -","- C14 H40 Cl11 Ga2 N2 Sb Si4 -","- C28 H80 Cl22 Ga4 N4 Sb2 Si8 -","2","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.1046","0.0548","","","0.1336","0.1525","","","","","","0.981","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329843","9.0611","0.0003","9.9336","0.0003","17.2811","0.0006","90","","97.164","0.002","90","","1543.32","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H15 Cl4 Ga Sb2 -","- C5 H15 Cl4 Ga Sb2 -","- C20 H60 Cl16 Ga4 Sb8 -","4","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0613","0.0322","","","0.0692","0.0756","","","","","","1","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329844","12.6565","0.0003","13.1801","0.0004","16.2711","0.0004","90","","92.582","0.002","90","","2711.49","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7.5 H22 Cl9 Ga2 Sb3 -","- C7.5 H22 Cl9 Ga2 Sb3 -","- C30 H88 Cl36 Ga8 Sb12 -","4","2","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.143","0.0612","","","0.0723","0.0858","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329845","15.2152","0.0012","10.0383","0.0008","6.4408","0.0005","90","","90","","90","","983.73","0.13","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trimethylstibane galliumtrichloride addukt","","- C3 H9 Cl3 Ga Sb -","- C3 H9 Cl3 Ga Sb -","- C12 H36 Cl12 Ga4 Sb4 -","4","0.5","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0455","0.0285","","","0.0522","0.0555","","","","","","1.032","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329846","5.7533","0.0005","6.9654","0.0006","7.9576","0.0006","100.263","0.004","107.369","0.004","100.598","0.004","289.78","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C H3 N6 Sb -","- C H3 N6 Sb -","- C2 H6 N12 Sb2 -","2","1","","Christian Hering; Mathias Lehmann; Axel Schulz; Alexander Villinger","Chlorine/Methyl Exchange Reactions in Silylated Aminostibanes: A New Route To Stibinostibonium Cations","Inorganic Chemistry","2012","51","","8212","8224","10.1021/ic300770b","","","0.71073","MoKα","","0.0346","0.0273","","","0.0507","0.0522","","","","","","1.077","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329847","12.6984","0.0005","44.44","0.0013","11.7591","0.0003","90","","116.967","0.001","90","","5914.3","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H73 Mn2 N4 O0.5 P4 -","- C62 H73 Mn2 N4 O0.5 P4 -","- C248 H292 Mn8 N16 O2 P16 -","4","1","","Subramaniam Kuppuswamy; Mark W. Bezpalko; Tamara M. Powers; Mark M. Turnbull; Bruce M. Foxman; Christine M. Thomas","Utilization of Phosphinoamide Ligands in Homobimetallic Fe and Mn Complexes: The Effect of Disparate Coordination Environments on Metal-Metal Interactions and Magnetic and Redox Properties","Inorganic Chemistry","2012","51","","8225","8240","10.1021/ic300776y","","","0.71073","MoKα","","0.0444","0.0349","","0.0829","0.0778","0.0829","","","","","","1.0214","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329848","12.6193","0.0009","44.242","0.003","11.7062","0.0007","90","","117.149","0.003","90","","5815.5","0.7","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 Fe2 N4 P4 -","- C60 H68 Fe2 N4 P4 -","- C240 H272 Fe8 N16 P16 -","4","1","","Subramaniam Kuppuswamy; Mark W. Bezpalko; Tamara M. Powers; Mark M. Turnbull; Bruce M. Foxman; Christine M. Thomas","Utilization of Phosphinoamide Ligands in Homobimetallic Fe and Mn Complexes: The Effect of Disparate Coordination Environments on Metal-Metal Interactions and Magnetic and Redox Properties","Inorganic Chemistry","2012","51","","8225","8240","10.1021/ic300776y","","","0.71073","MoKα","","0.0894","0.0476","","0.0959","0.0874","0.0959","","","","","","0.9993","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329849","8.6509","0.0004","26.914","0.0011","21.7536","0.0009","90","","91.192","0.002","90","","5063.8","0.4","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H83 Cl Mn2 N3 O P3 -","- C49 H83 Cl Mn2 N3 O P3 -","- C196 H332 Cl4 Mn8 N12 O4 P12 -","4","1","","Subramaniam Kuppuswamy; Mark W. Bezpalko; Tamara M. Powers; Mark M. Turnbull; Bruce M. Foxman; Christine M. Thomas","Utilization of Phosphinoamide Ligands in Homobimetallic Fe and Mn Complexes: The Effect of Disparate Coordination Environments on Metal-Metal Interactions and Magnetic and Redox Properties","Inorganic Chemistry","2012","51","","8225","8240","10.1021/ic300776y","","","0.71073","MoKα","","0.0541","0.0336","","0.0836","0.0753","0.0836","","","","","","0.9731","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329850","12.3024","0.0004","14.458","0.0004","16.5435","0.0005","101.105","0.002","91.933","0.002","112.297","0.001","2653.02","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H87 Cl Fe2 N3 P3 -","- C50 H87 Cl Fe2 N3 P3 -","- C100 H174 Cl2 Fe4 N6 P6 -","2","1","","Subramaniam Kuppuswamy; Mark W. Bezpalko; Tamara M. Powers; Mark M. Turnbull; Bruce M. Foxman; Christine M. Thomas","Utilization of Phosphinoamide Ligands in Homobimetallic Fe and Mn Complexes: The Effect of Disparate Coordination Environments on Metal-Metal Interactions and Magnetic and Redox Properties","Inorganic Chemistry","2012","51","","8225","8240","10.1021/ic300776y","","","0.71073","MoKα","","0.0576","0.041","","0.1198","0.1069","0.1198","","","","","","0.9737","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329851","9.3067","0.0006","10.8588","0.0008","21.188","0.0015","104.534","0.003","93.88","0.003","106.983","0.003","1959.2","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H58 Fe2 I2 N2 O P2 -","- C34 H58 Fe2 I2 N2 O P2 -","- C68 H116 Fe4 I4 N4 O2 P4 -","2","1","","Subramaniam Kuppuswamy; Mark W. Bezpalko; Tamara M. Powers; Mark M. Turnbull; Bruce M. Foxman; Christine M. Thomas","Utilization of Phosphinoamide Ligands in Homobimetallic Fe and Mn Complexes: The Effect of Disparate Coordination Environments on Metal-Metal Interactions and Magnetic and Redox Properties","Inorganic Chemistry","2012","51","","8225","8240","10.1021/ic300776y","","","0.71073","MoKα","","0.0238","0.0195","","0.0465","0.0435","0.0465","","","","","","1.0083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329852","11.866","0.002","12.897","0.003","17.631","0.004","90.101","0.01","93.261","0.011","107.517","0.01","2568.4","1","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C19.5 H44.29 Cl Li0.5 Mn N1.5 O1.5 P1.5 -","- C19.5003 H44.293 Cl Li0.5 Mn N1.5 O1.5 P1.5 -","- C78.001 H177.172 Cl4 Li2 Mn4 N6 O6 P6 -","4","2","","Subramaniam Kuppuswamy; Mark W. Bezpalko; Tamara M. Powers; Mark M. Turnbull; Bruce M. Foxman; Christine M. Thomas","Utilization of Phosphinoamide Ligands in Homobimetallic Fe and Mn Complexes: The Effect of Disparate Coordination Environments on Metal-Metal Interactions and Magnetic and Redox Properties","Inorganic Chemistry","2012","51","","8225","8240","10.1021/ic300776y","","","0.71073","MoKα","","0.0822","0.055","","0.1444","0.1339","0.1444","","","","","","1.0053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329853","11.3057","0.0004","17.9804","0.0007","18.6204","0.0007","101.656","0.002","91.054","0.002","107.739","0.002","3517.9","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H63 Cl Fe2 N3 P3 -","- C27 H63 Cl Fe2 N3 P3 -","- C108 H252 Cl4 Fe8 N12 P12 -","4","2","","Subramaniam Kuppuswamy; Mark W. Bezpalko; Tamara M. Powers; Mark M. Turnbull; Bruce M. Foxman; Christine M. Thomas","Utilization of Phosphinoamide Ligands in Homobimetallic Fe and Mn Complexes: The Effect of Disparate Coordination Environments on Metal-Metal Interactions and Magnetic and Redox Properties","Inorganic Chemistry","2012","51","","8225","8240","10.1021/ic300776y","","","0.71073","MoKα","","0.0821","0.0472","","0.1191","0.1067","0.1191","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329854","11.0955","0.0005","11.4459","0.0005","18.8973","0.0007","85.891","0.003","88.333","0.003","75.225","0.004","2314.45","0.17","117","","117","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl2 Cu N8 O12 -","- C44 H52 Cl2 Cu N8 O12 -","- C88 H104 Cl4 Cu2 N16 O24 -","2","1","","Evgeny Kataev; René Arnold; Tobias Rüffer; Heinrich Lang","Fluorescence Detection of Adenosine Triphosphate in an Aqueous Solution Using a Combination of Copper(II) Complexes","Inorganic Chemistry","2012","51","","7948","7950","10.1021/ic300805q","","","1.54184","CuKα","","0.0694","0.0632","","","0.2115","0.2148","","","","","","1.083","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329855","11.371","0.0006","7.3867","0.0003","43.146","0.002","90","","90","","90","","3624","0.3","117","","117","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 Cl2 Cu N2 -","- C21 H18 Cl2 Cu N2 -","- C168 H144 Cl16 Cu8 N16 -","8","1","","Evgeny Kataev; René Arnold; Tobias Rüffer; Heinrich Lang","Fluorescence Detection of Adenosine Triphosphate in an Aqueous Solution Using a Combination of Copper(II) Complexes","Inorganic Chemistry","2012","51","","7948","7950","10.1021/ic300805q","","","1.54184","CuKα","","0.0676","0.0559","","","0.1486","0.1522","","","","","","1.111","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329856","9.1131","0.0004","11.1886","0.0005","21.1525","0.0011","90","","90","","90","","2156.77","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H20 B N S -","- C7 H20 B N S -","- C56 H160 B8 N8 S8 -","8","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0413","0.0323","","","0.0832","0.0892","","","","","","1.046","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329857","5.9669","0.0007","26.571","0.004","7.2019","0.0009","90","","112.471","0.007","90","","1055.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H16 B N S -","- C9 H16 B N S -","- C36 H64 B4 N4 S4 -","4","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0272","0.0263","","","0.0698","0.0706","","","","","","1.054","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329858","10.6164","0.0002","11.1326","0.0002","10.9813","0.0003","90","","116.679","0.001","90","","1159.68","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B F5 N S -","- C9 H11 B F5 N S -","- C36 H44 B4 F20 N4 S4 -","4","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0285","0.0256","","","0.0665","0.0686","","","","","","1.047","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329859","15.432","0.0005","18.0547","0.0006","27.4253","0.0008","90","","90","","90","","7641.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H33 B3 Cl0 S3 -","- C12 H33 B3 S3 -","- C192 H528 B48 S48 -","16","2","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0478","0.0313","","","0.0919","0.1255","","","","","","1.135","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329860","11.918","0.0005","14.0156","0.0006","11.966","0.0005","90","","103.443","0.002","90","","1944.01","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 B O S -","- C23 H25 B O S -","- C92 H100 B4 O4 S4 -","4","2","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0249","0.0241","","","0.0611","0.0616","","","","","","1.02","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329861","18.7448","0.0008","21.5298","0.001","9.3518","0.0004","90","","90","","90","","3774.1","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H14 B N S -","- C8 H14 B N S -","- C128 H224 B16 N16 S16 -","16","4","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0476","0.0375","","","0.0879","0.093","","","","","","1.037","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329862","5.4531","0.0012","10.225","0.002","10.23","0.002","108.206","0.006","98.613","0.007","96.804","0.007","527.38","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H9 B F5 N S -","- C8 H9 B F5 N S -","- C16 H18 B2 F10 N2 S2 -","2","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","1.54178","CuKα","","0.0495","0.0492","","","0.1261","0.1265","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329863","8.5529","0.0003","11.7358","0.0004","13.604","0.0004","90","","98.082","0.002","90","","1351.94","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 B N S -","- C12 H22 B N S -","- C48 H88 B4 N4 S4 -","4","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0361","0.0314","","","0.0818","0.085","","","","","","1.052","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329864","21.0652","0.0003","10.3137","0.0001","14.2949","0.0002","90","","109.397","0.001","90","","2929.43","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 B F5 N S -","- C12 H17 B F5 N S -","- C96 H136 B8 F40 N8 S8 -","8","2","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0604","0.0351","","","0.0716","0.0805","","","","","","1.015","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329865","11.3856","0.0003","8.6335","0.0002","14.3344","0.0004","90","","111.126","0.001","90","","1314.34","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B N S -","- C12 H20 B N S -","- C48 H80 B4 N4 S4 -","4","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.038","0.0309","","","0.0748","0.0791","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329866","8.8514","0.0002","9.8373","0.0002","19.8811","0.0005","90","","90","","90","","1731.12","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 B N S -","- C7 H12 B N S -","- C56 H96 B8 N8 S8 -","8","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0383","0.0349","","","0.0901","0.0925","","","","","","1.087","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329867","10.932","0.003","9.0064","0.0019","24.933","0.005","90","","90","","90","","2454.9","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 B2 F10 N4 S2 -","- C16 H24 B2 F10 N4 S2 -","- C64 H96 B8 F40 N16 S8 -","4","0.5","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0969","0.0721","","","0.1781","0.1906","","","","","","1.139","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329868","23.463","0.004","9.4086","0.0016","21.361","0.003","90","","109.374","0.008","90","","4448.5","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 F12 N8 O8 P2 Re2 -","- C37 H24 F12 N8 O8 P2 Re2 -","- C148 H96 F48 N32 O32 P8 Re8 -","4","0.5","","Catherine Bronner; Oliver S. Wenger","Proton-Coupled Electron Transfer between 4-Cyanophenol and Photoexcited Rhenium(I) Complexes with Different Protonatable Sites","Inorganic Chemistry","2012","51","","8275","8283","10.1021/ic300834c","","","0.71073","MoKα","","0.0266","0.0174","","","0.0356","0.0402","","","","","","1.109","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329869","43.064","0.0013","9.73","0.0003","20.615","0.0006","90","","114.571","0.002","90","","7855.8","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 F6 N5 O3 P Re -","- C16 H11 F6 N5 O3 P Re -","- C256 H176 F96 N80 O48 P16 Re16 -","16","2","","Catherine Bronner; Oliver S. Wenger","Proton-Coupled Electron Transfer between 4-Cyanophenol and Photoexcited Rhenium(I) Complexes with Different Protonatable Sites","Inorganic Chemistry","2012","51","","8275","8283","10.1021/ic300834c","","","0.71073","MoKα","","0.0559","0.0351","","","0.0737","0.0897","","","","","","1.052","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329870","9.814","0.003","9.298","0.003","17.857","0.004","90","","98.5","0.03","90","","1611.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Cl4 Ni6 -","- C33 H34 Cl4 Ni6 -","- C66 H68 Cl8 Ni12 -","2","0.5","","Włodzimierz Buchowicz; Beata Herbaczyńska; Lucjan B. Jerzykiewicz; Tadeusz Lis; Stanisław Pasynkiewicz; Antoni Pietrzykowski","Triple C-H Bond Activation of a Nickel-Bound Methyl Group: Synthesis and X-Ray Structure of a Carbide Cluster (NiCp)6(μ6-C)","Inorganic Chemistry","2012","51","","8292","8297","10.1021/ic3008409","","","0.71073","MoKα","","0.0787","0.0497","","","0.1379","0.1513","","","","","","1.09","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329871","15.637","0.004","15.637","0.004","9.351","0.003","90","","90","","120","","1980.1","1","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C43 H54 Ni6 O3 -","- C43 H54 Ni6 O3 -","- C86 H108 Ni12 O6 -","2","0.166667","","Włodzimierz Buchowicz; Beata Herbaczyńska; Lucjan B. Jerzykiewicz; Tadeusz Lis; Stanisław Pasynkiewicz; Antoni Pietrzykowski","Triple C-H Bond Activation of a Nickel-Bound Methyl Group: Synthesis and X-Ray Structure of a Carbide Cluster (NiCp)6(μ6-C)","Inorganic Chemistry","2012","51","","8292","8297","10.1021/ic3008409","","","0.71073","MoKα","","0.1273","0.0682","","","0.1558","0.1804","","","","","","1.03","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329872","9.364","0.003","9.364","0.003","15.312","0.006","90","","90","","90","","1342.6","0.8","180","2","180","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- C31 H30 Ni6 -","- C31 H30 Ni6 -","- C62 H60 Ni12 -","2","0.125","","Włodzimierz Buchowicz; Beata Herbaczyńska; Lucjan B. Jerzykiewicz; Tadeusz Lis; Stanisław Pasynkiewicz; Antoni Pietrzykowski","Triple C-H Bond Activation of a Nickel-Bound Methyl Group: Synthesis and X-Ray Structure of a Carbide Cluster (NiCp)6(μ6-C)","Inorganic Chemistry","2012","51","","8292","8297","10.1021/ic3008409","","","0.71073","MoKα","","0.0946","0.0388","","","0.0899","0.1005","","","","","","1.013","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329873","11.9747","0.0005","14.0027","0.0006","15.1715","0.0006","67.677","0.001","71.074","0.001","89.795","0.001","2205.16","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H95 Cu4 I4 N17 -","- C84 H95 Cu4 I4 N17 -","- C84 H95 Cu4 I4 N17 -","1","0.5","","Estela Haldón; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Copper(I) Complexes with Trispyrazolylmethane Ligands: Synthesis, Characterization, and Catalytic Activity in Cross-Coupling Reactions","Inorganic Chemistry","2012","51","","8298","8306","10.1021/ic300843a","","","0.71073","MoKα","","0.0474","0.0344","","","0.0834","0.0911","","","","","","1.025","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329874","9.8669","0.0007","15.0543","0.001","12.0982","0.0009","90","","97.698","0.003","90","","1780.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cu4 I4 N14 -","- C24 H26 Cu4 I4 N14 -","- C48 H52 Cu8 I8 N28 -","2","0.5","","Estela Haldón; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Copper(I) Complexes with Trispyrazolylmethane Ligands: Synthesis, Characterization, and Catalytic Activity in Cross-Coupling Reactions","Inorganic Chemistry","2012","51","","8298","8306","10.1021/ic300843a","","","0.71073","MoKα","","0.082","0.0373","","","0.0599","0.0701","","","","","","0.996","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329875","13.2452","0.0006","8.157","0.0004","20.5917","0.0009","90","","103.999","0.001","90","","2158.67","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cu I N7 -","- C18 H25 Cu I N7 -","- C72 H100 Cu4 I4 N28 -","4","1","","Estela Haldón; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Copper(I) Complexes with Trispyrazolylmethane Ligands: Synthesis, Characterization, and Catalytic Activity in Cross-Coupling Reactions","Inorganic Chemistry","2012","51","","8298","8306","10.1021/ic300843a","","","0.71073","MoKα","","0.0288","0.0229","","","0.0551","0.0578","","","","","","1.031","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329876","9.823","0.003","20.681","0.009","24.932","0.01","86.15","0.03","84.188","0.014","87.457","0.013","5024","3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[Fe(L2)2](PF6)2","","","- C102 H78 F12 Fe N12 O12 P8 -","- C102 H78 F12 Fe N12 O12 P8 -","- C204 H156 F24 Fe2 N24 O24 P16 -","2","1","","Ross J. Davidson; Eric W. Ainscough; Andrew M. Brodie; Geoffrey B. Jameson; Mark R. Waterland; Harry R. Allcock; Mark D. Hindenlang; Boujemaa Moubaraki; Keith S. Murray; Keith C. Gordon; Raphael Horvath; Guy N. L. Jameson","Toward an Iron(II) Spin-Crossover Grafted Phosphazene Polymer","Inorganic Chemistry","2012","51","","8307","8316","10.1021/ic300853f","","","0.71073","MoKα","","0.112","0.071","","","0.1843","0.2069","","","","","","0.926","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329877","14.767","0.003","16.334","0.003","21.024","0.004","104.25","0.03","100.82","0.03","91.04","0.03","4816.6","1.8","123","2","123","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H73 Cl2 Fe N13 O20 P6 -","- C92 H73 Cl2 Fe N13 O20 P6 -","- C184 H146 Cl4 Fe2 N26 O40 P12 -","2","1","","Ross J. Davidson; Eric W. Ainscough; Andrew M. Brodie; Geoffrey B. Jameson; Mark R. Waterland; Harry R. Allcock; Mark D. Hindenlang; Boujemaa Moubaraki; Keith S. Murray; Keith C. Gordon; Raphael Horvath; Guy N. L. Jameson","Toward an Iron(II) Spin-Crossover Grafted Phosphazene Polymer","Inorganic Chemistry","2012","51","","8307","8316","10.1021/ic300853f","","","1.54187","CuKα","","0.0955","0.0727","","","0.1879","0.2111","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329878","15.042","0.008","16.34","0.01","20.999","0.013","102.77","0.04","100.59","0.05","91.53","0.03","4936","5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[Fe(L1)2](PF6)2","","","- C92 H73 F12 Fe N13 O12 P8 -","- C92 H73 F12 Fe N13 O12 P8 -","- C184 H146 F24 Fe2 N26 O24 P16 -","2","1","","Ross J. Davidson; Eric W. Ainscough; Andrew M. Brodie; Geoffrey B. Jameson; Mark R. Waterland; Harry R. Allcock; Mark D. Hindenlang; Boujemaa Moubaraki; Keith S. Murray; Keith C. Gordon; Raphael Horvath; Guy N. L. Jameson","Toward an Iron(II) Spin-Crossover Grafted Phosphazene Polymer","Inorganic Chemistry","2012","51","","8307","8316","10.1021/ic300853f","","","0.71073","MoKα","","0.0748","0.0585","","","0.132","0.1385","","","","","","1.084","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329879","14.9","0.003","21.774","0.004","16.047","0.003","90","","90","","90","","5206.2","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80 H132 B15 Cl3 Mo13 -","- C80 H132 B15 Cl3 Mo13 -","- C160 H264 B30 Cl6 Mo26 -","2","0.25","","Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh","Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements","Inorganic Chemistry","2012","51","","8322","8330","10.1021/ic3008602","","","0.71073","MoKα","","0.0583","0.0448","","","0.1054","0.11","","","","","","1.189","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329880","15.2196","0.0004","16.0129","0.0003","22.6286","0.0005","90","","90","","90","","5514.8","0.2","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H38 B4 Cl Mo2 O Te -","- C22 H38 B4 Cl Mo2 O Te -","- C176 H304 B32 Cl8 Mo16 O8 Te8 -","8","1","","Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh","Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements","Inorganic Chemistry","2012","51","","8322","8330","10.1021/ic3008602","","","0.71073","MoKα","","0.0636","0.0405","","","0.0983","0.1162","","","","","","1.119","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329881","11.249","0.0007","11.9772","0.0008","18.7277","0.0012","77.172","0.003","86.647","0.003","87.738","0.003","2455.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H67 B7 Mo4 -","- C40 H67 B7 Mo4 -","- C80 H134 B14 Mo8 -","2","1","","Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh","Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements","Inorganic Chemistry","2012","51","","8322","8330","10.1021/ic3008602","","","0.71073","MoKα","","0.0859","0.0624","","","0.1791","0.2077","","","","","","1.111","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329882","8.5599","0.0005","15.6973","0.001","20.8469","0.0011","90","","90.292","0.002","90","","2801.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 B4 Fe Mo2 O3 Te -","- C23 H30 B4 Fe Mo2 O3 Te -","- C92 H120 B16 Fe4 Mo8 O12 Te4 -","4","1","","Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh","Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements","Inorganic Chemistry","2012","51","","8322","8330","10.1021/ic3008602","","","0.71073","MoKα","","0.0837","0.0688","","","0.2021","0.211","","","","","","1.108","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329883","10.3465","0.0007","11.6799","0.0007","16.5804","0.001","74.313","0.003","76.11","0.003","63.926","0.003","1715.61","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 B3 Co3 Mo2 O9 Te -","- C29 H30 B3 Co3 Mo2 O9 Te -","- C58 H60 B6 Co6 Mo4 O18 Te2 -","2","1","","Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh","Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements","Inorganic Chemistry","2012","51","","8322","8330","10.1021/ic3008602","","","0.71073","MoKα","","0.0729","0.0456","","","0.1047","0.1179","","","","","","0.977","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329884","11.0344","0.0004","17.3088","0.0007","23.3171","0.0009","90","","91.414","0.002","90","","4452","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B3 Cl2 Co6 Mo2 O14 Te -","- C35 H32 B3 Cl2 Co6 Mo2 O14 Te -","- C140 H128 B12 Cl8 Co24 Mo8 O56 Te4 -","4","1","","Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh","Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements","Inorganic Chemistry","2012","51","","8322","8330","10.1021/ic3008602","","","0.71073","MoKα","","0.0453","0.0366","","","0.1295","0.139","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329885","10.6313","0.0011","19.8","0.002","19.415","0.002","90","","104.846","0.002","90","","3950.4","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1","","","- C53 H42 N2 -","- C53 H42 N2 -","- C212 H168 N8 -","4","1","","Ryan E. Cowley; Patrick L. Holland","Ligand Effects on Hydrogen Atom Transfer from Hydrocarbons to Three-Coordinate Iron Imides","Inorganic Chemistry","2012","51","","8352","8361","10.1021/ic300870y","","","0.71073","MoKα","","0.0986","0.0604","","","0.1529","0.1787","","","","","","1.02","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329886","13.4047","0.0019","15.512","0.002","23.28","0.003","94.763","0.003","98.136","0.003","110.55","0.002","4440.8","1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","3","","","- C118 H94 Br2 Fe2 N4 -","- C118 H94 Br2 Fe2 N4 -","- C236 H188 Br4 Fe4 N8 -","2","1","","Ryan E. Cowley; Patrick L. Holland","Ligand Effects on Hydrogen Atom Transfer from Hydrocarbons to Three-Coordinate Iron Imides","Inorganic Chemistry","2012","51","","8352","8361","10.1021/ic300870y","","","0.71073","MoKα","","0.1193","0.0541","","","0.1038","0.1276","","","","","","0.979","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329887","11.933","0.004","10.413","0.003","39.821","0.012","90","","92.013","0.005","90","","4945","3","103","1","103","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4","","","- C67 H57 Fe N2 -","- C67 H57 Fe N2 -","- C268 H228 Fe4 N8 -","4","1","","Ryan E. Cowley; Patrick L. Holland","Ligand Effects on Hydrogen Atom Transfer from Hydrocarbons to Three-Coordinate Iron Imides","Inorganic Chemistry","2012","51","","8352","8361","10.1021/ic300870y","","","0.71073","MoKα","","0.192","0.0773","","","0.1381","0.1827","","","","","","0.97","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329888","12.881","0.006","13.253","0.006","16.475","0.007","103.331","0.006","94.905","0.007","101.883","0.007","2652","2","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","5","","","- C63 H56 Fe N3 -","- C63 H56 Fe N3 -","- C126 H112 Fe2 N6 -","2","1","","Ryan E. Cowley; Patrick L. Holland","Ligand Effects on Hydrogen Atom Transfer from Hydrocarbons to Three-Coordinate Iron Imides","Inorganic Chemistry","2012","51","","8352","8361","10.1021/ic300870y","","","0.71073","MoKα","","0.1744","0.0763","","","0.1607","0.1933","","","","","","0.847","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329889","17.0483","0.0017","13.7677","0.0014","21.744","0.002","90","","90.2","0.002","90","","5103.6","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6H","","","- C67 H65 Fe N3 -","- C67 H65 Fe N3 -","- C268 H260 Fe4 N12 -","4","1","","Ryan E. Cowley; Patrick L. Holland","Ligand Effects on Hydrogen Atom Transfer from Hydrocarbons to Three-Coordinate Iron Imides","Inorganic Chemistry","2012","51","","8352","8361","10.1021/ic300870y","","","0.71073","MoKα","","0.0852","0.0488","","","0.1207","0.1404","","","","","","1.018","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329890","20.57","0.003","12.2475","0.0019","26.966","0.003","90","","107.766","0.004","90","","6469.6","1.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H67 B Fe N14 O6 Zr -","- C72 H67 B Fe N14 O6 Zr -","- C288 H268 B4 Fe4 N56 O24 Zr4 -","4","1","","Jared R. Sabin; Oleg A. Varzatskii; Yan Z. Voloshin; Zoya A. Starikova; Valentin V. Novikov; Victor N. Nemykin","Insight into the Electronic Structure, Optical Properties, And Redox Behavior of the Hybrid Phthalocyaninoclathrochelates from Experimental and Density Functional Theory Approaches","Inorganic Chemistry","2012","51","","8362","8372","10.1021/ic3008798","","","0.71073","MoKα","","0.0936","0.0675","","","0.1392","0.1518","","","","","","1.011","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329891","13.3788","0.0003","19.9463","0.0004","21.3461","0.0005","71.069","0.001","89.505","0.001","78.256","0.001","5265.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H133 Co2 Fe4 N7 O28 -","- C84 H133 Co2 Fe4 N7 O28 -","- C168 H266 Co4 Fe8 N14 O56 -","2","1","","Pablo Alborés; Christian Plenk; Eva Rentschler","Tailoring the Exchange Interaction in Covalently Linked Basic Carboxylate Clusters through Bridging Ligand Selection","Inorganic Chemistry","2012","51","","8373","8384","10.1021/ic300911j","","","0.71073","MoKα","","0.0549","0.0343","","","0.0773","0.0883","","","","","","1.018","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329892","24.7285","0.0007","13.9639","0.0004","29.0758","0.0008","90","","106.011","0.0016","90","","9650.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H126 Fe4 N6 Ni2 O28 -","- C74 H126 Fe4 N6 Ni2 O28 -","- C296 H504 Fe16 N24 Ni8 O112 -","4","0.5","","Pablo Alborés; Christian Plenk; Eva Rentschler","Tailoring the Exchange Interaction in Covalently Linked Basic Carboxylate Clusters through Bridging Ligand Selection","Inorganic Chemistry","2012","51","","8373","8384","10.1021/ic300911j","","","0.71069","MoKα","","0.086","0.0432","","","0.0923","0.1105","","","","","","1.054","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329893","24.7319","0.0018","13.9415","0.001","29.238","0.002","90","","106.037","0.002","90","","9688.9","1.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H126 Co2 Fe4 N6 O28 -","- C74 H126 Co2 Fe4 N6 O28 -","- C296 H504 Co8 Fe16 N24 O112 -","4","0.5","","Pablo Alborés; Christian Plenk; Eva Rentschler","Tailoring the Exchange Interaction in Covalently Linked Basic Carboxylate Clusters through Bridging Ligand Selection","Inorganic Chemistry","2012","51","","8373","8384","10.1021/ic300911j","","","0.71069","MoKα","","0.0928","0.0441","","","0.0964","0.12","","","","","","1.024","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329894","13.3486","0.0004","19.8359","0.0006","21.3114","0.0006","70.986","0.0009","89.701","0.001","78.058","0.001","5207.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H133 Fe4 N7 Ni2 O28 -","- C84 H133 Fe4 N7 Ni2 O28 -","- C168 H266 Fe8 N14 Ni4 O56 -","2","1","","Pablo Alborés; Christian Plenk; Eva Rentschler","Tailoring the Exchange Interaction in Covalently Linked Basic Carboxylate Clusters through Bridging Ligand Selection","Inorganic Chemistry","2012","51","","8373","8384","10.1021/ic300911j","","","0.71073","MoKα","","0.0747","0.0436","","","0.0936","0.1062","","","","","","1.013","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329895","9.17","0.002","10.837","0.003","12.505","0.003","80.933","0.004","71.423","0.004","82.979","0.004","1159.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H40 Au P -","- C25 H40 Au P -","- C50 H80 Au2 P2 -","2","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.0173","0.0169","","","0.0418","0.042","","","","","","1.058","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329896","8.9329","0.0005","10.5661","0.0006","12.5173","0.0007","96.753","0.001","101.367","0.001","92.489","0.001","1147.55","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H40 Au P -","- C25 H40 Au P -","- C50 H80 Au2 P2 -","2","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.0222","0.0215","","","0.0534","0.0537","","","","","","1.056","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329897","11.3384","0.0008","16.1535","0.0011","13.7362","0.001","90","","104.374","0.001","90","","2437.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Au O P -","- C26 H40 Au O P -","- C104 H160 Au4 O4 P4 -","4","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.0315","0.0297","","","0.0797","0.0809","","","","","","1.052","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329898","9.4903","0.0007","11.324","0.0009","11.6943","0.0009","76.596","0.001","67.719","0.001","81.084","0.001","1128.1","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 Au N P -","- C23 H37 Au N P -","- C46 H74 Au2 N2 P2 -","2","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.0211","0.0205","","","0.0532","0.0535","","","","","","1.087","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329899","17.478","0.003","7.5496","0.0014","17.326","0.003","90","","118.546","0.002","90","","2008.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 Au P -","- C21 H36 Au P -","- C84 H144 Au4 P4 -","4","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.0435","0.0402","","","0.1342","0.1388","","","","","","1.191","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329900","9.074","0.002","10.612","0.002","12.973","0.003","107.093","0.004","100.704","0.004","96.207","0.004","1155.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 Au O2 P -","- C23 H39 Au O2 P -","- C46 H78 Au2 O4 P2 -","2","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.0463","0.0424","","","0.1179","0.1202","","","","","","1.128","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329901","8.2372","0.0007","17.1313","0.0015","17.2431","0.0015","90","","90","","90","","2433.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 Au N P -","- C26 H39 Au N P -","- C104 H156 Au4 N4 P4 -","4","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.022","0.02","","","0.0426","0.0436","","","","","","1.02","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329902","20.22","0.002","16.0965","0.0018","23.18","0.004","90","","114.506","0.002","90","","6864.8","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Au N2 -","- C36 H47 Au N2 -","- C288 H376 Au8 N16 -","8","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.0338","0.0241","","","0.0491","0.0527","","","","","","1.006","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329903","19.156","0.005","19.156","0.005","61.292","0.005","90","0.005","90","0.005","90","0.005","22491","9","173","2","173","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C75 H129 Cu3 N11 O37 -","- C48 H32 Cu3 N2 O13 -","- C384 H256 Cu24 N16 O104 -","8","0.25","","Chao Hou; Qing Liu; Jian Fan; Yue Zhao; Peng Wang; Wei-Yin Sun","Novel (3,4,6)-Connected Metal-Organic Framework with High Stability and Gas-Uptake Capability","Inorganic Chemistry","2012","51","","8402","8408","10.1021/ic300950h","","","0.71073","MoKα","","0.0424","0.0381","","","0.1165","0.1204","","","","","","1.113","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329904","20.726","0.0003","6.6709","0.0001","14.0222","0.0002","90","","101.248","0.001","90","","1901.49","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cerium phosphite","","","- Ce2 H3 O10 P3 -","- Ce2 H4 O10 P3 -","- Ce16 H32 O80 P24 -","8","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0253","0.0242","","","0.0635","0.0639","","","","","","1.342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329905","20.6579","0.0003","6.6379","0.0001","13.9532","0.0002","90","","101.353","0.001","90","","1875.9","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Praseodymium phosphite","","","- H3 O10 P3 Pr2 -","- H4 O10 P3 Pr2 -","- H32 O80 P24 Pr16 -","8","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0944","0.0655","","","0.1351","0.1458","","","","","","1.087","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329906","20.5551","0.0003","6.6084","0.0001","13.8781","0.0002","90","","101.468","0.001","90","","1847.51","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Neodymium phosphite","","","- H3 Nd2 O10 P3 -","- H3 Nd2 O10 P3 -","- H24 Nd16 O80 P24 -","8","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0588","0.0406","","","0.0684","0.0736","","","","","","1.102","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329907","6.6369","0.0002","6.9771","0.0002","16.3921","0.0004","90","","90","","90","","759.06","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Samarium phosphite","","","- H4 O8 P2 Sm -","- H6 O8 P2 Sm -","- H24 O32 P8 Sm4 -","4","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0218","0.0194","","","0.0379","0.0386","","","","","","1.034","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329908","6.6138","0.0002","6.962","0.0002","16.4075","0.0004","90","","90","","90","","755.49","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Europium phosphite","","","- Eu H4 O8 P2 -","- Eu H6 O8 P2 -","- Eu4 H24 O32 P8 -","4","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0409","0.0333","","","0.064","0.0669","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329909","20.6339","0.0003","6.5947","0.0001","13.8805","0.0002","90","","101.298","0.001","90","","1852.18","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Plutonium(III)phosphite","","","- H3 O10 P3 Pu2 -","- H5 O10 P3 Pu2 -","- H40 O80 P24 Pu16 -","8","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0421","0.0298","","","0.0612","0.0658","","","","","","1.002","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329910","8.651","0.002","8.997","0.002","18.227","0.005","90","","90","","90","","1418.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pu(IV) phosphite","","","- H6 O8 P2 Pu -","- H6 O8 P2 Pu -","- H48 O64 P16 Pu8 -","8","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0262","0.0176","","","0.0341","0.0376","","","","","","1.033","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329911","20.545","0.007","6.608","0.002","13.87","0.005","90","","101.425","0.008","90","","1845.7","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Americium(III) phosphite","","","- Am2 O10 P3 -","- Am2 O10 P3 -","- Am16 O80 P24 -","8","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0827","0.0431","","","0.0751","0.0869","","","","","","0.991","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329912","11.2926","0.0016","11.6402","0.0017","12.1762","0.0017","68.139","0.003","72.717","0.003","61.101","0.003","1286.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Fe2 N3 O -","- C31 H31 Fe2 N3 O -","- C62 H62 Fe4 N6 O2 -","2","1","","Eleanor Magdzinski; Pierangelo Gobbo; Caleb D. Martin; Mark S. Workentin; Paul J. Ragogna","The Syntheses and Electrochemical Studies of a Ferrocene Substituted Diiminopyridine Ligand and Its P, S, Se, and Te Complexes","Inorganic Chemistry","2012","51","","8425","8432","10.1021/ic300974u","","","0.71073","MoKα","","0.1281","0.0604","","","0.14","0.1695","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329913","12.97","0.002","18.528","0.003","13.477","0.002","90","","109.608","0.004","90","","3050.8","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 F6 Fe2 N3 O6 S3 -","- C29 H23 F6 Fe2 N3 O6 S3 -","- C116 H92 F24 Fe8 N12 O24 S12 -","4","0.5","","Eleanor Magdzinski; Pierangelo Gobbo; Caleb D. Martin; Mark S. Workentin; Paul J. Ragogna","The Syntheses and Electrochemical Studies of a Ferrocene Substituted Diiminopyridine Ligand and Its P, S, Se, and Te Complexes","Inorganic Chemistry","2012","51","","8425","8432","10.1021/ic300974u","","","0.71073","MoKα","","0.1239","0.0706","","","0.1406","0.1586","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329914","10.7138","0.0009","11.5291","0.0009","13.616","0.0011","104.007","0.002","94.864","0.003","107.862","0.002","1530","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H23 F6 Fe2 N3 O6 S2 Se -","- C29 H23 F6 Fe2 N3 O6 S2 Se -","- C58 H46 F12 Fe4 N6 O12 S4 Se2 -","2","1","","Eleanor Magdzinski; Pierangelo Gobbo; Caleb D. Martin; Mark S. Workentin; Paul J. Ragogna","The Syntheses and Electrochemical Studies of a Ferrocene Substituted Diiminopyridine Ligand and Its P, S, Se, and Te Complexes","Inorganic Chemistry","2012","51","","8425","8432","10.1021/ic300974u","","","0.71073","MoKα","","0.0453","0.0325","","","0.0739","0.0792","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329915","10.732","0.003","11.537","0.003","13.662","0.004","103.487","0.006","94.198","0.007","106.741","0.006","1557.2","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H23 F6 Fe2 N3 O6 S2 Te -","- C29 H23 F6 Fe2 N3 O6 S2 Te -","- C58 H46 F12 Fe4 N6 O12 S4 Te2 -","2","1","","Eleanor Magdzinski; Pierangelo Gobbo; Caleb D. Martin; Mark S. Workentin; Paul J. Ragogna","The Syntheses and Electrochemical Studies of a Ferrocene Substituted Diiminopyridine Ligand and Its P, S, Se, and Te Complexes","Inorganic Chemistry","2012","51","","8425","8432","10.1021/ic300974u","","","0.71073","MoKα","","0.0592","0.0407","","","0.0807","0.0882","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329916","12.0077","0.001","17.2096","0.0014","13.8818","0.0011","90","","99.153","0.002","90","","2832.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Fe2 I3 N3 P -","- C27 H23 Fe2 I3 N3 P0.978 -","- C108 H92 Fe8 I12 N12 P3.912 -","4","0.5","","Eleanor Magdzinski; Pierangelo Gobbo; Caleb D. Martin; Mark S. Workentin; Paul J. Ragogna","The Syntheses and Electrochemical Studies of a Ferrocene Substituted Diiminopyridine Ligand and Its P, S, Se, and Te Complexes","Inorganic Chemistry","2012","51","","8425","8432","10.1021/ic300974u","","","0.71073","MoKα","","0.055","0.0343","","","0.0637","0.074","","","","","","1.085","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329917","18.941","0.004","11.936","0.003","27.249","0.006","90","","103.558","0.002","90","","5989","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C120 H98 Fe6 O42 -","- C120 H98 Fe6 O42 -","- C240 H196 Fe12 O84 -","2","0.5","","E. Carolina Sañudo; Jorge Salinas Uber; Alba Pons Balagué; Olivier Roubeau; Guillem Aromí","Molecular [(Fe3)-(Fe3)] and [(Fe4)-(Fe4)] Coordination Cluster Pairs as Single or Composite Arrays","Inorganic Chemistry","2012","51","","8441","8446","10.1021/ic300995g","","","0.6911","synchrotron","","0.0959","0.0576","","","0.1304","0.1454","","","","","","0.961","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329918","15.3941","0.0006","27.2076","0.001","19.6672","0.0006","90","","109.284","0.002","90","","7775.2","0.5","100","0.1","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C158 H132 Cl12 Fe8 N4 O42 -","- C158 H127.2 Cl12 Fe8 N4 O42 -","- C316 H254.4 Cl24 Fe16 N8 O84 -","2","0.5","","E. Carolina Sañudo; Jorge Salinas Uber; Alba Pons Balagué; Olivier Roubeau; Guillem Aromí","Molecular [(Fe3)-(Fe3)] and [(Fe4)-(Fe4)] Coordination Cluster Pairs as Single or Composite Arrays","Inorganic Chemistry","2012","51","","8441","8446","10.1021/ic300995g","","","0.71073","MoKα","","0.134","0.0646","","","0.145","0.1863","","","","","","1.013","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329919","16.209","0.002","21.766","0.002","22.642","0.002","109.537","0.004","102.182","0.004","100.76","0.004","7066","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C143 H119 Cl9 Fe6 N2 O36 -","- C142.45 H118.45 Cl7.35 Fe6 N2 O36 -","- C284.9 H236.9 Cl14.7 Fe12 N4 O72 -","2","1","","E. Carolina Sañudo; Jorge Salinas Uber; Alba Pons Balagué; Olivier Roubeau; Guillem Aromí","Molecular [(Fe3)-(Fe3)] and [(Fe4)-(Fe4)] Coordination Cluster Pairs as Single or Composite Arrays","Inorganic Chemistry","2012","51","","8441","8446","10.1021/ic300995g","","","0.71073","MoKα","","0.1865","0.1333","","","0.3416","0.3747","","","","","","1.046","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329920","20.151","0.002","20.915","0.002","22.034","0.003","117.522","0.001","93.717","0.002","91.867","0.002","8197.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C280 H216 Cl24 Fe14 N6 O82 -","- C280 H208 Cl24 Fe14 N6 O82 -","- C280 H208 Cl24 Fe14 N6 O82 -","1","0.5","","E. Carolina Sañudo; Jorge Salinas Uber; Alba Pons Balagué; Olivier Roubeau; Guillem Aromí","Molecular [(Fe3)-(Fe3)] and [(Fe4)-(Fe4)] Coordination Cluster Pairs as Single or Composite Arrays","Inorganic Chemistry","2012","51","","8441","8446","10.1021/ic300995g","","x-ray","0.7848","synchrotron","","0.1194","0.0815","","","0.2221","0.2591","","","","","","1.014","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329921","6.0111","0.0004","11.5308","0.0009","13.9334","0.001","90","","90","","90","","965.76","0.12","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Cl4 Tc -","- Cl4 Tc -","- Cl32 Tc8 -","8","1","","Erik V. Johnstone; Frederic Poineau; Paul M. Forster; Longzou Ma; Thomas Hartmann; Andrew Cornelius; Daniel Antonio; Alfred P. Sattelberger; Kenneth R. Czerwinski","Technetium Tetrachloride Revisited: A Precursor to Lower-Valent Binary Technetium Chlorides","Inorganic Chemistry","2012","51","","8462","8467","10.1021/ic301011c","","","0.71073","MoKα","","0.0249","0.0224","","","0.0586","0.0595","","","","","","1.208","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329922","11.71","0.003","12.262","0.004","12.39","0.004","119.457","0.004","99.91","0.005","105.641","0.005","1389.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H70 Mn2 N6 O14 P4 -","- C46 H70 Mn2 N6 O14 P4 -","- C46 H70 Mn2 N6 O14 P4 -","1","0.5","","Vadapalli Chandrasekhar; Joydeb Goura; E. Carolina Sañudo","Carboxylate-Free Manganese(II) Phosphonate Assemblies: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","8479","8487","10.1021/ic301060j","","","0.71073","MoKα","","0.0603","0.0496","","","0.1341","0.1682","","","","","","1.122","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329923","10.688","0.002","15.235","0.003","27.509","0.005","95.281","0.004","97.824","0.004","94.734","0.004","4398.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H93 Cl2 Mn3 N12 O21 P2 -","- C90 H93 Cl2 Mn3 N12 O21 P2 -","- C180 H186 Cl4 Mn6 N24 O42 P4 -","2","1","","Vadapalli Chandrasekhar; Joydeb Goura; E. Carolina Sañudo","Carboxylate-Free Manganese(II) Phosphonate Assemblies: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","8479","8487","10.1021/ic301060j","","","0.71073","MoKα","","0.157","0.0871","","","0.2023","0.2554","","","","","","0.982","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329924","14.04","0.005","14.656","0.005","14.828","0.005","96.125","0.005","91.886","0.005","116.226","0.005","2710.5","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H47 Cl2 Mn3 N15 O15 P2 -","- C41 H47 Cl2 Mn3 N15 O15 P2 -","- C82 H94 Cl4 Mn6 N30 O30 P4 -","2","1","","Vadapalli Chandrasekhar; Joydeb Goura; E. Carolina Sañudo","Carboxylate-Free Manganese(II) Phosphonate Assemblies: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","8479","8487","10.1021/ic301060j","","","0.71069","MoKα","","0.0823","0.0615","","","0.1555","0.1772","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329925","13.022","0.003","13.089","0.003","14.816","0.003","81.374","0.004","85.103","0.004","65.466","0.003","2270.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H90 Cl2 Mn4 N12 O22 P4 -","- C88 H90 Cl2 Mn4 N12 O22 P4 -","- C88 H90 Cl2 Mn4 N12 O22 P4 -","1","0.5","","Vadapalli Chandrasekhar; Joydeb Goura; E. Carolina Sañudo","Carboxylate-Free Manganese(II) Phosphonate Assemblies: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","8479","8487","10.1021/ic301060j","","","0.71073","MoKα","","0.0963","0.0625","","","0.154","0.2053","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329926","14.392","0.003","14.431","0.003","14.844","0.003","67.009","0.003","62.565","0.003","88.285","0.003","2476.1","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H86 Cl4 Mn4 N16 O24 P2 -","- C106 H86 Cl4 Mn4 N16 O24 P2 -","- C106 H86 Cl4 Mn4 N16 O24 P2 -","1","0.5","","Vadapalli Chandrasekhar; Joydeb Goura; E. Carolina Sañudo","Carboxylate-Free Manganese(II) Phosphonate Assemblies: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2012","51","","8479","8487","10.1021/ic301060j","","","0.71073","MoKα","","0.0996","0.062","","","0.1313","0.1546","","","","","","1.015","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329927","12.5872","0.0008","13.7283","0.0009","17.4659","0.0008","87.316","0.004","88.101","0.004","66.921","0.002","2773.2","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H29 Cu F18 N2 O8 S6 Yb -","- C45 H29 Cu F18 N2 O8 S6 Yb -","- C90 H58 Cu2 F36 N4 O16 S12 Yb2 -","2","1","","Goulven Cosquer; Fabrice Pointillart; Boris Le Guennic; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","3d4f Heterobimetallic Dinuclear and Tetranuclear Complexes Involving Tetrathiafulvalene as Ligands: X-ray Structures and Magnetic and Photophysical Investigations","Inorganic Chemistry","2012","51","","8488","8501","10.1021/ic3010689","","","0.71073","MoKα","","0.075","0.0456","","","0.1065","0.1246","","","","","","1.02","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329928","13.2766","0.0006","13.3127","0.001","16.5097","0.0013","85.513","0.003","77.716","0.004","84.331","0.004","2832.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H29 F18 N2 Ni O8 S6 Y -","- C45 H29 F18 N2 Ni O8 S6 Y -","- C90 H58 F36 N4 Ni2 O16 S12 Y2 -","2","1","","Goulven Cosquer; Fabrice Pointillart; Boris Le Guennic; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","3d4f Heterobimetallic Dinuclear and Tetranuclear Complexes Involving Tetrathiafulvalene as Ligands: X-ray Structures and Magnetic and Photophysical Investigations","Inorganic Chemistry","2012","51","","8488","8501","10.1021/ic3010689","","","0.71073","MoKα","","0.1119","0.0517","","","0.1149","0.1443","","","","","","0.998","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329929","12.8981","0.0013","13.7598","0.0016","18.736","0.002","93.903","0.004","95.854","0.005","111.867","0.005","3049.5","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H52 Cu2 Er2 F36 N4 O16 S12 -","- C76 H52 Cu2 Er2 F36 N4 O16 S12 -","- C76 H52 Cu2 Er2 F36 N4 O16 S12 -","1","0.5","","Goulven Cosquer; Fabrice Pointillart; Boris Le Guennic; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","3d4f Heterobimetallic Dinuclear and Tetranuclear Complexes Involving Tetrathiafulvalene as Ligands: X-ray Structures and Magnetic and Photophysical Investigations","Inorganic Chemistry","2012","51","","8488","8501","10.1021/ic3010689","","","0.71073","MoKα","","0.1213","0.0598","","","0.1318","0.1536","","","","","","0.928","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329930","4.0254","0.00009","4.0254","0.00009","8.07102","0.00019","90","","90","","90","","130.782","0.005","295","","295","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","Terbium Ruthenium Arsenide Oxide","","","- As O Ru Tb -","- As O Ru Tb -","- As2 O2 Ru2 Tb2 -","2","0.125","","Michael A. McGuire; Andrew F. May; Brian C. Sales","Crystallographic and Magnetic Phase Transitions in the Layered Ruthenium Oxyarsenides TbRuAsO and DyRuAsO","Inorganic Chemistry","2012","51","","8502","8508","10.1021/ic3010695","powder diffraction","","1.5406","CuKα1","","","","","","","","","3.7859","","","","","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329931","4.01728","0.00003","4.01728","0.00003","8.03272","0.00007","90","","90","","90","","129.636","0.0018","295","","295","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","Dysprosium Ruthenium Arsenide Oxide","","","- As Dy O Ru -","- As Dy O Ru -","- As2 Dy2 O2 Ru2 -","2","0.125","","Michael A. McGuire; Andrew F. May; Brian C. Sales","Crystallographic and Magnetic Phase Transitions in the Layered Ruthenium Oxyarsenides TbRuAsO and DyRuAsO","Inorganic Chemistry","2012","51","","8502","8508","10.1021/ic3010695","powder diffraction","","1.5406","CuKα1","","","","","","","","","3.2734","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329932","4.02033","0.00007","4.00791","0.00007","8.00483","0.00015","90","","90","","90","","128.983","0.004","12","","12","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Dysprosium Ruthenium Arsenide Oxide","","","- As Dy O Ru -","- As Dy O Ru -","- As2 Dy2 O2 Ru2 -","2","0.25","","Michael A. McGuire; Andrew F. May; Brian C. Sales","Crystallographic and Magnetic Phase Transitions in the Layered Ruthenium Oxyarsenides TbRuAsO and DyRuAsO","Inorganic Chemistry","2012","51","","8502","8508","10.1021/ic3010695","powder diffraction","","1.5406","CuKα1","","","","","","","","","3.8437","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329933","8.2007","0.0009","13.2412","0.0014","14.1628","0.0015","90","","90","","90","","1537.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Br2 N2 Zn -","- C11 H24 Br2 N2 Zn -","- C44 H96 Br8 N8 Zn4 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.025","0.0229","","","0.0557","0.0568","","","","","","1.067","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329934","7.8253","0.0004","12.4256","0.0006","16.7554","0.0008","90","","90","","90","","1629.2","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Br2 N2 Zn -","- C12 H26 Br2 N2 Zn -","- C48 H104 Br8 N8 Zn4 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0356","0.026","","","0.0329","0.0335","","","","","","0.961","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329935","12.3903","0.0018","12.8524","0.0019","12.6936","0.0019","90","","116.785","0.002","90","","1804.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H30 Cl2 N2 Zn -","- C14 H30 Cl2 N2 Zn -","- C56 H120 Cl8 N8 Zn4 -","4","2","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0275","0.0251","","","0.0629","0.0642","","","","","","1.026","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329936","9.9604","0.0015","12.2299","0.0018","13.61","0.002","90","","90","","90","","1657.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Br2 N2 Zn -","- C12 H26 Br2 N2 Zn -","- C48 H104 Br8 N8 Zn4 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0595","0.0482","","","0.0898","0.0925","","","","","","1.019","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329937","10.2752","0.0011","14.4299","0.0016","21.668","0.003","90","","90","","90","","3212.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Cl2 N2 Zn -","- C12 H26 Cl2 N2 Zn -","- C96 H208 Cl16 N16 Zn8 -","8","2","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.031","0.0272","","","0.0504","0.0513","","","","","","1.041","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329938","9.9374","0.0006","11.5949","0.0006","12.8313","0.0006","90","","90","","90","","1478.46","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 Br2 Hg N2 -","- C10 H22 Br2 Hg N2 -","- C40 H88 Br8 Hg4 N8 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0706","0.0644","","","0.1522","0.154","","","","","","1.027","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329939","8.6139","0.0004","13.1839","0.0007","14.3439","0.0008","90","","90","","90","","1628.96","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Br2 Hg N2 -","- C12 H26 Br2 Hg N2 -","- C48 H104 Br8 Hg4 N8 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0779","0.0676","","","0.1551","0.1576","","","","","","1.057","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329940","12.0059","0.0011","8.2368","0.0005","19.3045","0.001","90","","99.499","0.007","90","","1882.9","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H29 Br2 Hg N2 -","- C14 H29 Br2 Hg N2 -","- C56 H116 Br8 Hg4 N8 -","4","2","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0377","0.027","","","0.0384","0.0392","","","","","","1.002","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329941","8.7499","0.0006","15.8447","0.0009","13.4635","0.0011","90","","92.018","0.008","90","","1865.4","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H30 Br2 Hg N2 -","- C14 H30 Br2 Hg N2 -","- C56 H120 Br8 Hg4 N8 -","4","2","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0909","0.0564","","","0.1062","0.1107","","","","","","1.032","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329942","16.12","0.005","32.281","0.01","23.977","0.008","90","","105.143","0.004","90","","12044","7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H180 N4 O5 Th -","- C120 H138 N4 O5 Th -","- C480 H552 N16 O20 Th4 -","4","0.5","","David D. Schnaars; Andrew J. Gaunt; Trevor W. Hayton; Matthew B. Jones; Ian Kirker; Nikolas Kaltsoyannis; Iain May; Sean D. Reilly; Brian L. Scott; Guang Wu","Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of AnIV(Aracnac)4 Complexes (An = Th, U, Np, Pu; Aracnac = ArNC(Ph)CHC(Ph)O; Ar = 3,5-tBu2C6H3)","Inorganic Chemistry","2012","51","","8557","8566","10.1021/ic301109f","","","0.71073","MoKα","","0.0683","0.0541","","","0.145","0.1547","","","","","","1.023","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329943","16.04","0.004","32.091","0.009","24.33","0.007","90","","105.271","0.004","90","","12081","6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H180 N4 O5 U -","- C116 H128 N4 O4 U -","- C464 H512 N16 O16 U4 -","4","0.5","","David D. Schnaars; Andrew J. Gaunt; Trevor W. Hayton; Matthew B. Jones; Ian Kirker; Nikolas Kaltsoyannis; Iain May; Sean D. Reilly; Brian L. Scott; Guang Wu","Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of AnIV(Aracnac)4 Complexes (An = Th, U, Np, Pu; Aracnac = ArNC(Ph)CHC(Ph)O; Ar = 3,5-tBu2C6H3)","Inorganic Chemistry","2012","51","","8557","8566","10.1021/ic301109f","","","0.71073","MoKα","","0.0541","0.0448","","","0.1296","0.1359","","","","","","0.98","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329944","15.581","0.003","31.216","0.007","23.872","0.005","90","","104.845","0.002","90","","11223","4","141","2","141","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H160 N4 O8 Pu -","- C116 H128 N4 O4 Pu -","- C464 H512 N16 O16 Pu4 -","4","0.5","","David D. Schnaars; Andrew J. Gaunt; Trevor W. Hayton; Matthew B. Jones; Ian Kirker; Nikolas Kaltsoyannis; Iain May; Sean D. Reilly; Brian L. Scott; Guang Wu","Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of AnIV(Aracnac)4 Complexes (An = Th, U, Np, Pu; Aracnac = ArNC(Ph)CHC(Ph)O; Ar = 3,5-tBu2C6H3)","Inorganic Chemistry","2012","51","","8557","8566","10.1021/ic301109f","","","0.71073","MoKα","","0.1496","0.1195","","","0.2613","0.2737","","","","","","1.569","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329945","25.76","0.005","15.08","0.005","21.271","0.002","90","","114.844","0.01","90","","7498","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H108 Cl3 N8 O19 Yb -","- C60 H84 Cl3 N8 O12 Yb -","- C240 H336 Cl12 N32 O48 Yb4 -","4","0.5","","Jun-Liang Liu; Kang Yuan; Ji-Dong Leng; Liviu Ungur; Wolfgang Wernsdorfer; Fu-Sheng Guo; Liviu F. Chibotaru; Ming-Liang Tong","A Six-Coordinate Ytterbium Complex Exhibiting Easy-Plane Anisotropy and Field-Induced Single-Ion Magnet Behavior","Inorganic Chemistry","2012","51","","8538","8544","10.1021/ic301115b","","","0.71073","MoKα","","0.1295","0.0795","","","0.159","0.1798","","","","","","1.051","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329946","8.711","0.001","29.08","0.005","10.925","0.002","90","0.013","96.941","0.011","90","0.015","2747.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H14 N6 S8 -","- C25 H14 N6 S8 -","- C100 H56 N24 S32 -","4","1","","Diana G. Branzea; Arnaud Fihey; Thomas Cauchy; Abdelkrim El-Ghayoury; Narcis Avarvari","Tetrathiafulvalene-Triazine-Dipyridylamines as Multifunctional Ligands for Electroactive Complexes: Synthesis, Structures, and Theoretical Study","Inorganic Chemistry","2012","51","","8545","8556","10.1021/ic301117h","","","0.71073","MoKα","","0.1656","0.0676","","","0.0858","0.1087","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329947","8.9316","0.0006","13.2988","0.0012","13.6163","0.0011","83.468","0.006","82.751","0.006","85.655","0.007","1590.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H14 Cl2 N6 S8 Zn -","- C25 H14 Cl2 N6 S8 Zn -","- C50 H28 Cl4 N12 S16 Zn2 -","2","1","","Diana G. Branzea; Arnaud Fihey; Thomas Cauchy; Abdelkrim El-Ghayoury; Narcis Avarvari","Tetrathiafulvalene-Triazine-Dipyridylamines as Multifunctional Ligands for Electroactive Complexes: Synthesis, Structures, and Theoretical Study","Inorganic Chemistry","2012","51","","8545","8556","10.1021/ic301117h","","","0.71073","MoKα","","0.0995","0.0501","","","0.1066","0.1262","","","","","","1.035","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329948","11.349","0.004","16.196","0.0016","21.525","0.004","90","0.012","91.132","0.018","90","0.017","3955.7","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H38 Cl4 N18 O24 S8 Zn2 -","- C58 H38 Cl4 N18 O24 S8 Zn2 -","- C116 H76 Cl8 N36 O48 S16 Zn4 -","2","0.5","","Diana G. Branzea; Arnaud Fihey; Thomas Cauchy; Abdelkrim El-Ghayoury; Narcis Avarvari","Tetrathiafulvalene-Triazine-Dipyridylamines as Multifunctional Ligands for Electroactive Complexes: Synthesis, Structures, and Theoretical Study","Inorganic Chemistry","2012","51","","8545","8556","10.1021/ic301117h","","","0.71073","MoKα","","0.138","0.0677","","","0.168","0.2258","","","","","","1.033","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329949","11.4652","0.0015","13.1499","0.0019","13.393","0.0016","66.093","0.009","81.184","0.01","76.518","0.01","1791.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H19 Cl4 N9 O S4 Zn2 -","- C29 H19 Cl4 N9 O S4 Zn2 -","- C58 H38 Cl8 N18 O2 S8 Zn4 -","2","1","","Diana G. Branzea; Arnaud Fihey; Thomas Cauchy; Abdelkrim El-Ghayoury; Narcis Avarvari","Tetrathiafulvalene-Triazine-Dipyridylamines as Multifunctional Ligands for Electroactive Complexes: Synthesis, Structures, and Theoretical Study","Inorganic Chemistry","2012","51","","8545","8556","10.1021/ic301117h","","","0.71073","MoKα","","0.0954","0.0544","","","0.1297","0.1563","","","","","","1.042","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329950","24.5529","0.0005","6.63776","0.00011","24.3027","0.0005","90","","106.189","0.002","90","","3803.71","0.13","180","","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 F3 N5 O3 S -","- C20 H14 F3 N5 O3 S -","- C160 H112 F24 N40 O24 S8 -","8","1","","Thi Nhu Y Hoang; Timothée Lathion; Laure Guénée; Emmanuel Terazzi; Claude Piguet","Protonation and Complexation Properties of Polyaromatic Terdentate Six-Membered Chelate Ligands","Inorganic Chemistry","2012","51","","8567","8575","10.1021/ic301126y","","","1.5418","CuKα","","0.055","0.0448","","","0.1208","0.1319","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329951","9.0329","0.0009","11.1765","0.001","13.5512","0.0012","113.068","0.009","99.997","0.008","101.089","0.008","1187.3","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 F6 N5 O6 S2 -","- C21 H15 F6 N5 O6 S2 -","- C42 H30 F12 N10 O12 S4 -","2","1","","Thi Nhu Y Hoang; Timothée Lathion; Laure Guénée; Emmanuel Terazzi; Claude Piguet","Protonation and Complexation Properties of Polyaromatic Terdentate Six-Membered Chelate Ligands","Inorganic Chemistry","2012","51","","8567","8575","10.1021/ic301126y","","","1.54184","CuKα","","0.0888","0.0726","","","0.2005","0.2213","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329952","7.3518","0.0003","10.5566","0.0004","14.0959","0.0006","100.942","0.003","100.918","0.003","94.309","0.003","1047.63","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 F3 N3 O3 S -","- C24 H16 F3 N3 O3 S -","- C48 H32 F6 N6 O6 S2 -","2","1","","Thi Nhu Y Hoang; Timothée Lathion; Laure Guénée; Emmanuel Terazzi; Claude Piguet","Protonation and Complexation Properties of Polyaromatic Terdentate Six-Membered Chelate Ligands","Inorganic Chemistry","2012","51","","8567","8575","10.1021/ic301126y","","","1.54184","CuKα","","0.0511","0.0479","","","0.1399","0.1437","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329953","9.52829","0.00013","9.93085","0.00013","27.929","0.0004","90","","102.934","0.0014","90","","2575.71","0.06","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 F6 N3 O6 S2 -","- C25 H17 F6 N3 O6 S2 -","- C100 H68 F24 N12 O24 S8 -","4","1","","Thi Nhu Y Hoang; Timothée Lathion; Laure Guénée; Emmanuel Terazzi; Claude Piguet","Protonation and Complexation Properties of Polyaromatic Terdentate Six-Membered Chelate Ligands","Inorganic Chemistry","2012","51","","8567","8575","10.1021/ic301126y","","","1.54184","CuKα","","0.0519","0.0484","","","0.1379","0.1426","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329954","14.4182","0.0002","10.50522","0.00013","13.885","0.0003","90","","111.17","0.002","90","","1961.18","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 I2 N5 -","- C19 H15 I2 N5 -","- C76 H60 I8 N20 -","4","0.5","","Thi Nhu Y Hoang; Timothée Lathion; Laure Guénée; Emmanuel Terazzi; Claude Piguet","Protonation and Complexation Properties of Polyaromatic Terdentate Six-Membered Chelate Ligands","Inorganic Chemistry","2012","51","","8567","8575","10.1021/ic301126y","","","1.54184","CuKα","","0.0342","0.033","","","0.0916","0.0933","","","","","","1.055","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329955","10.7189","0.0004","14.6809","0.0005","16.4269","0.0005","88.059","0.003","74.043","0.003","89.386","0.003","2483.96","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H13 F6 N5 O6 S2 Zn -","- C21 H13 F6 N5 O6 S2 Zn -","- C84 H52 F24 N20 O24 S8 Zn4 -","4","2","","Thi Nhu Y Hoang; Timothée Lathion; Laure Guénée; Emmanuel Terazzi; Claude Piguet","Protonation and Complexation Properties of Polyaromatic Terdentate Six-Membered Chelate Ligands","Inorganic Chemistry","2012","51","","8567","8575","10.1021/ic301126y","","","1.54184","CuKα","","0.1017","0.0839","","","0.2518","0.2784","","","","","","1.373","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329956","17.5087","0.0011","17.5087","0.0011","15.1964","0.0012","90","","90","","90","","4658.5","0.6","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H26 Cu2 N4 O7 -","- C22 H24 Cu2 N4 O7 -","- C176 H192 Cu16 N32 O56 -","8","0.5","","Elena Ilyes; Mihaela Florea; Augustin M. Madalan; Ionel Haiduc; Vasile I. Parvulescu; Marius Andruh","A Robust Metal-Organic Framework Constructed from Alkoxo-Bridged Binuclear Nodes and Hexamethylenetetramine Spacers: Crystal Structure and Sorption Studies","Inorganic Chemistry","2012","51","","7954","7956","10.1021/ic301139j","","","0.71073","MoKα","","0.0633","0.0428","","","0.0759","0.081","","","","","","1.098","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329957","25.6917","0.0012","13.3508","0.0006","24.2803","0.0011","90","","90","","90","","8328.3","0.7","101","2","101","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H118 Li2 N8 O0 Si8 Sn9 -","- C42 H118 Li2 N8 Si8 Sn9 -","- C168 H472 Li8 N32 Si32 Sn36 -","4","0.5","","Claudio Schrenk; Florian Winter; Rainer Pöttgen; Andreas Schnepf","{Sn9[Si(SiMe3)3]2}2-: A Metalloid Tin Cluster Compound With a Sn9 Core of Oxidation State Zero","Inorganic Chemistry","2012","51","","8583","8588","10.1021/ic3011647","","","0.71073","MoKα","","0.1094","0.0587","","","0.1083","0.1307","","","","","","1.188","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329958","14.949","0.003","15.745","0.003","21.602","0.004","90","","104.93","0.03","90","","4912.9","1.8","149","2","149","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H142 Li2 N0 O11 Si8 Sn9 -","- C62 H142 Li2 O11 Si8 Sn9 -","- C124 H284 Li4 O22 Si16 Sn18 -","2","1","","Claudio Schrenk; Florian Winter; Rainer Pöttgen; Andreas Schnepf","{Sn9[Si(SiMe3)3]2}2-: A Metalloid Tin Cluster Compound With a Sn9 Core of Oxidation State Zero","Inorganic Chemistry","2012","51","","8583","8588","10.1021/ic3011647","","","0.71073","MoKα","","0.0425","0.0394","","","0.0999","0.1023","","","","","","1.078","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329959","7.3656","0.0015","7.9996","0.0016","15.319","0.003","95.04","0.03","91.64","0.03","115.76","0.03","807.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- K2 S8 Sn3 Zn -","- K2 S8 Sn3 Zn -","- K4 S16 Sn6 Zn2 -","2","1","","Zohreh Hassanzadeh Fard; Mercouri G. Kanatzidis","Phase-Change Materials Exhibiting Tristability: Interconverting Forms of Crystalline α-, β-, and Glassy K2ZnSn3S8","Inorganic Chemistry","2012","51","","7963","7965","10.1021/ic301276y","","","0.71073","MoKα","","0.1023","0.0732","","","0.1669","0.1824","","","","","","1.05","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329960","13.126","0.002","13.126","0.002","13.126","0.002","90","","90","","90","","2261.5","0.6","100","2","100","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- K0.5 S2 Sn0.75 Zn0.25 -","- K0.5 S2 Sn0.75 Zn0.25 -","- K12 S48 Sn18 Zn6 -","24","1","","Zohreh Hassanzadeh Fard; Mercouri G. Kanatzidis","Phase-Change Materials Exhibiting Tristability: Interconverting Forms of Crystalline α-, β-, and Glassy K2ZnSn3S8","Inorganic Chemistry","2012","51","","7963","7965","10.1021/ic301276y","","","0.71073","MoKα","","0.0552","0.0481","","","0.1347","0.139","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329961","12.382","0.002","18.15","0.002","20.566","0.003","90","","91.806","0.014","90","","4619.6","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H38 Cl18 N4 Si8 -","- C14 H38 Cl18 N4 Si8 -","- C56 H152 Cl72 N16 Si32 -","4","1","","Jan Tillmann; Frank Meyer-Wegner; Andor Nadj; Johanna Becker-Baldus; Tanja Sinke; Michael Bolte; Max C. Holthausen; Matthias Wagner; Hans-Wolfram Lerner","Unexpected Disproportionation of Tetramethylethylenediamine-Supported Perchlorodisilane Cl3SiSiCl3","Inorganic Chemistry","2012","51","","8599","8606","10.1021/ic301283m","","","0.71073","MoKα","","0.2174","0.1128","","","0.1906","0.2277","","","","","","1.027","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329962","8.5178","0.0009","16.642","0.002","10.5528","0.0011","90","","90.255","0.008","90","","1495.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cl6 N2 Si2 -","- C6 H16 Cl6 N2 Si2 -","- C24 H64 Cl24 N8 Si8 -","4","1","","Jan Tillmann; Frank Meyer-Wegner; Andor Nadj; Johanna Becker-Baldus; Tanja Sinke; Michael Bolte; Max C. Holthausen; Matthias Wagner; Hans-Wolfram Lerner","Unexpected Disproportionation of Tetramethylethylenediamine-Supported Perchlorodisilane Cl3SiSiCl3","Inorganic Chemistry","2012","51","","8599","8606","10.1021/ic301283m","","","0.71073","MoKα","","0.1144","0.0692","","","0.1149","0.1292","","","","","","0.999","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329963","10.163","0.0008","10.4876","0.001","18.4868","0.0016","90","","98.913","0.007","90","","1946.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H38 Cl14 N4 Si6 -","- C14 H38 Cl14 N4 Si6 -","- C28 H76 Cl28 N8 Si12 -","2","0.5","","Jan Tillmann; Frank Meyer-Wegner; Andor Nadj; Johanna Becker-Baldus; Tanja Sinke; Michael Bolte; Max C. Holthausen; Matthias Wagner; Hans-Wolfram Lerner","Unexpected Disproportionation of Tetramethylethylenediamine-Supported Perchlorodisilane Cl3SiSiCl3","Inorganic Chemistry","2012","51","","8599","8606","10.1021/ic301283m","","","0.71073","MoKα","","0.0991","0.0729","","","0.1158","0.1235","","","","","","1.148","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329964","23.2626","0.0013","14.4338","0.0007","14.3613","0.0008","90","","92.825","0.005","90","","4816.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H16 Cl4 N2 Si -","- C6 H16 Cl4 N2 Si -","- C96 H256 Cl64 N32 Si16 -","16","4","","Jan Tillmann; Frank Meyer-Wegner; Andor Nadj; Johanna Becker-Baldus; Tanja Sinke; Michael Bolte; Max C. Holthausen; Matthias Wagner; Hans-Wolfram Lerner","Unexpected Disproportionation of Tetramethylethylenediamine-Supported Perchlorodisilane Cl3SiSiCl3","Inorganic Chemistry","2012","51","","8599","8606","10.1021/ic301283m","","","0.71073","MoKα","","0.0964","0.0918","","","0.2194","0.221","","","","","","1.988","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329965","12.8301","0.0012","5.4382","0.0005","8.1707","0.0009","90","","90","","90","","570.09","0.1","200","0.2","200","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- In Na O6 Se2 -","- In Na O6 Se2 -","- In4 Na4 O24 Se8 -","4","0.5","","Dong Woo Lee; Saet Byeol Kim; Kang Min Ok","Cation Size Effect on the Framework Structures in a Series of New Alkali-Metal Indium Selenites, AIn(SeO3)2 (A = Na, K, Rb, and Cs)","Inorganic Chemistry","2012","51","","8530","8537","10.1021/ic301316r","","","0.71073","MoKα","","0.0476","0.0432","","","0.1218","0.1239","","","","","","1.19","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329966","13.1567","0.0004","5.5511","0.0002","8.3381","0.0003","90","","90","","90","","608.97","0.04","200","0.2","200","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- In K O6 Se2 -","- In K O6 Se2 -","- In4 K4 O24 Se8 -","4","0.5","","Dong Woo Lee; Saet Byeol Kim; Kang Min Ok","Cation Size Effect on the Framework Structures in a Series of New Alkali-Metal Indium Selenites, AIn(SeO3)2 (A = Na, K, Rb, and Cs)","Inorganic Chemistry","2012","51","","8530","8537","10.1021/ic301316r","","","0.71073","MoKα","","0.0509","0.0318","","","0.057","0.0615","","","","","","0.975","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329967","15.842","0.0011","5.5594","0.0004","7.6158","0.0005","90","","90","","90","","670.74","0.08","200","0.2","200","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- In O6 Rb Se2 -","- In O6 Rb Se2 -","- In4 O24 Rb4 Se8 -","4","0.5","","Dong Woo Lee; Saet Byeol Kim; Kang Min Ok","Cation Size Effect on the Framework Structures in a Series of New Alkali-Metal Indium Selenites, AIn(SeO3)2 (A = Na, K, Rb, and Cs)","Inorganic Chemistry","2012","51","","8530","8537","10.1021/ic301316r","","","0.71073","MoKα","","0.0226","0.0191","","","0.0442","0.0454","","","","","","1.026","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329968","5.6256","0.0001","5.6256","0.0001","19.3357","0.0005","90","","90","","120","","529.942","0.019","200","0.2","200","0.2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cs In O6 Se2 -","- Cs In O6 Se2.012 -","- Cs3 In3 O18 Se6.036 -","3","0.0833333","","Dong Woo Lee; Saet Byeol Kim; Kang Min Ok","Cation Size Effect on the Framework Structures in a Series of New Alkali-Metal Indium Selenites, AIn(SeO3)2 (A = Na, K, Rb, and Cs)","Inorganic Chemistry","2012","51","","8530","8537","10.1021/ic301316r","","","0.71073","MoKα","","0.0347","0.0347","","","0.095","0.095","","","","","","1.162","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329969","14.7236","0.0007","13.66","0.0007","15.8038","0.0008","90","","95.017","0.001","90","","3166.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H73 Cl3 Cu2 N16 O15 -","- C56 H69 Cl3 Cu2 N16 O15 -","- C112 H138 Cl6 Cu4 N32 O30 -","2","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Halide and Hydroxide Linearly Bridged Bimetallic Copper(II) Complexes: Trends in Strong Antiferromagnetic Superexchange Interactions","Inorganic Chemistry","2012","51","","7966","7968","10.1021/ic301321r","","","0.71073","MoKα","","0.0444","0.0385","","","0.101","0.1057","","","","","","1.03","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329970","14.6292","0.0007","13.6388","0.0007","15.7461","0.0008","90","","94.847","0.001","90","","3130.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Cl3 Cu2 F N16 O14 -","- C56 H72 Cl3 Cu2 F N16 O14 -","- C112 H144 Cl6 Cu4 F2 N32 O28 -","2","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Halide and Hydroxide Linearly Bridged Bimetallic Copper(II) Complexes: Trends in Strong Antiferromagnetic Superexchange Interactions","Inorganic Chemistry","2012","51","","7966","7968","10.1021/ic301321r","","","0.71073","MoKα","","0.0379","0.0327","","","0.0869","0.0909","","","","","","1.049","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329971","11.5965","0.0005","12.6931","0.0005","13.4508","0.0005","116.296","0.001","101.606","0.001","105.039","0.001","1595.86","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Cl4 Cu2 N16 O12 -","- C56 H68 Cl4 Cu2 N16 O12 -","- C56 H68 Cl4 Cu2 N16 O12 -","1","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Halide and Hydroxide Linearly Bridged Bimetallic Copper(II) Complexes: Trends in Strong Antiferromagnetic Superexchange Interactions","Inorganic Chemistry","2012","51","","7966","7968","10.1021/ic301321r","","","0.71073","MoKα","","0.066","0.0551","","","0.1528","0.1635","","","","","","1.05","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329972","23.9421","0.0017","12.3031","0.0009","23.6249","0.0017","90","","103.64","0.002","90","","6762.7","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Br Cl3 Cu2 N18 O12 -","- C60 H74 Br Cl3 Cu2 N18 O12 -","- C240 H296 Br4 Cl12 Cu8 N72 O48 -","4","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Halide and Hydroxide Linearly Bridged Bimetallic Copper(II) Complexes: Trends in Strong Antiferromagnetic Superexchange Interactions","Inorganic Chemistry","2012","51","","7966","7968","10.1021/ic301321r","","","0.71073","MoKα","","0.0436","0.035","","","0.0861","0.0913","","","","","","1.027","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329973","7.4022","0.0003","8.5156","0.0004","11.2499","0.0005","99.0733","0.0015","93.715","0.004","97.954","0.003","690.79","0.05","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Mo2 N3 O8 -","- C10 H9 Mo2 N3 O8 -","- C20 H18 Mo4 N6 O16 -","2","1","","Sónia Figueiredo; Ana C. Gomes; Patrícia Neves; Tatiana R. Amarante; Filipe A. Almeida Paz; Rosário Soares; André D. Lopes; Anabela A. Valente; Martyn Pillinger; Isabel S. Gonçalves","Synthesis, Structural Elucidation, and Application of a Pyrazolylpyridine-Molybdenum Oxide Composite as a Heterogeneous Catalyst for Olefin Epoxidation","Inorganic Chemistry","2012","51","","8629","8635","10.1021/ic301405r","powder diffraction","","","CuKα","","","","","","","","","7.9299","","","","","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329974","11.7933","0.0008","10.9709","0.0007","15.6524","0.0009","90","","90","","90","","2025.2","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N2 Ni O6 -","- C9 H9 N2 Ni O6 -","- C72 H72 N16 Ni8 O48 -","8","1","","Sanjog S. Nagarkar; Raja Das; Pankaj Poddar; Sujit K. Ghosh","Bistable Dynamic Coordination Polymer Showing Reversible Structural and Functional Transformations","Inorganic Chemistry","2012","51","","8317","8321","10.1021/ic301481p","","","0.71073","MoKα","","0.0243","0.0213","","","0.0558","0.057","","","","","","1.058","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329975","7.2049","0.0003","7.4749","0.0003","10.7705","0.0004","79.193","0.003","76.434","0.003","61.2","0.004","492.23","0.04","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C6 H11 Cl N O2 Rh -","- C6 H11 Cl N O2 Rh -","- C12 H22 Cl2 N2 O4 Rh2 -","2","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0173","0.0158","","","0.0372","0.0377","","","","","","1.163","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329976","16.4534","0.0005","6.4536","0.0002","17.325","0.0005","90","","90","","90","","1839.63","0.1","180","2","180","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cl N2 O2 Rh -","- C6 H6 Cl N2 O2 Rh -","- C48 H48 Cl8 N16 O16 Rh8 -","8","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.034","0.0232","","","0.0454","0.0487","","","","","","1.06","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329977","10.4119","0.0011","6.7619","0.0007","13.9762","0.0011","90","","125.835","0.005","90","","797.72","0.14","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl N2 O2 Rh -","- C5 H4 Cl N2 O2 Rh -","- C20 H16 Cl4 N8 O8 Rh4 -","4","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0149","0.0134","","","0.0353","0.0363","","","","","","1.074","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329978","9.3891","0.001","13.0923","0.0016","14.9814","0.0018","90","","95.963","0.006","90","","1831.6","0.4","180","2","180","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl N2 O2 Rh -","- C6 H6 Cl N2 O2 Rh -","- C48 H48 Cl8 N16 O16 Rh8 -","8","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0301","0.0209","","","0.0435","0.0461","","","","","","1.017","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329979","7.928","0.005","12.626","0.005","12.203","0.005","90","","117.84","0.03","90","","1080.1","1","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 I N O2 Rh -","- C6 H11 I N O2 Rh -","- C24 H44 I4 N4 O8 Rh4 -","4","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0341","0.0268","","","0.0626","0.068","","","","","","1.052","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329980","11.2116","0.001","7.5428","0.0006","14.173","0.0011","90","","126.628","0.005","90","","961.88","0.15","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 I N2 O2 Rh -","- C6 H6 I N2 O2 Rh -","- C24 H24 I4 N8 O8 Rh4 -","4","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0407","0.0211","","","0.0374","0.0423","","","","","","0.985","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329981","10.3601","0.0003","7.0604","0.0002","14.5503","0.0004","90","","121.741","0.002","90","","905.12","0.05","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 I N2 O2 Rh -","- C5 H4 I N2 O2 Rh -","- C20 H16 I4 N8 O8 Rh4 -","4","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0371","0.021","","","0.0441","0.0498","","","","","","1.008","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329982","8.1648","0.0004","9.3741","0.0004","14.6087","0.0007","86.941","0.004","85.4","0.004","64.642","0.005","1006.91","0.09","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C6 H6 I N2 O2 Rh -","- C6 H6 I N2 O2 Rh -","- C24 H24 I4 N8 O8 Rh4 -","4","2","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0321","0.0238","","","0.049","0.0521","","","","","","1.034","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329983","15.9689","0.0002","20.4498","0.0003","7.5262","0.0001","90","","90","","90","","2457.76","0.06","180","2","180","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C14 H18 I4 N4 O4 Rh2 -","- C14 H18 I4 N4 O4 Rh2 -","- C56 H72 I16 N16 O16 Rh8 -","4","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0221","0.0219","","","0.055","0.0551","","","","","","1.048","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329984","10.1933","0.0015","11.5069","0.0017","12.3739","0.0018","105.633","0.006","93.54","0.007","112.887","0.005","1264.8","0.3","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C14 H18 I4 N4 O4 Rh2 -","- C14 H18 I4 N4 O4 Rh2 -","- C28 H36 I8 N8 O8 Rh4 -","2","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0338","0.0287","","","0.0739","0.0772","","","","","","1.041","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329985","7.1957","0.0001","21.595","0.0005","15.138","0.0003","90","","106.148","0.001","90","","2259.5","0.08","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 I4 N4 O4 Rh2 -","- C12 H14 I4 N4 O4 Rh2 -","- C48 H56 I16 N16 O16 Rh8 -","4","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0311","0.0214","","","0.0415","0.044","","","","","","1.061","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329986","7.4412","0.0003","12.9941","0.0006","16.3518","0.0008","90","","107.686","0.004","90","","1506.35","0.12","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 I2 N4 O2 Rh -","- C9 H11 I2 N4 O2 Rh -","- C36 H44 I8 N16 O8 Rh4 -","4","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0281","0.0213","","","0.0452","0.0478","","","","","","1.05","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329987","14.6522","0.0017","14.6522","0.0017","14.6522","0.0017","90","","90","","90","","3145.6","0.6","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Sodium Silicide","","","- Na2.9 Si136 -","- Na2.928 Si136 -","- Na2.928 Si136 -","1","0.00520833","","Stevce Stefanoski; Christos D. Malliakas; Mercouri G. Kanatzidis; George S. Nolas","Synthesis and Structural Characterization of NaxSi136 (0 < x <= 24) Single Crystals and Low-Temperature Transport of Polycrystalline Specimens","Inorganic Chemistry","2012","51","","8686","8692","10.1021/ic202199t","","","0.71073","MoKα","","0.0393","0.037","","","0.0564","0.0574","","","","","","1.513","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329988","14.6437","0.0007","14.6437","0.0007","14.6437","0.0007","90","","90","","90","","3140.2","0.3","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Sodium Silicide","","","- Na5.1 Si136 -","- Na5.088 Si136 -","- Na5.088 Si136 -","1","0.00520833","","Stevce Stefanoski; Christos D. Malliakas; Mercouri G. Kanatzidis; George S. Nolas","Synthesis and Structural Characterization of NaxSi136 (0 < x <= 24) Single Crystals and Low-Temperature Transport of Polycrystalline Specimens","Inorganic Chemistry","2012","51","","8686","8692","10.1021/ic202199t","","","0.71073","MoKα","","0.0288","0.0283","","","0.0528","0.0529","","","","","","1.496","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329989","14.6423","0.0007","14.6423","0.0007","14.6423","0.0007","90","","90","","90","","3139.3","0.3","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Sodium Sillicide","","","- Na8.2 Si136 -","- Na8.272 Si136 -","- Na8.272 Si136 -","1","0.00520833","","Stevce Stefanoski; Christos D. Malliakas; Mercouri G. Kanatzidis; George S. Nolas","Synthesis and Structural Characterization of NaxSi136 (0 < x <= 24) Single Crystals and Low-Temperature Transport of Polycrystalline Specimens","Inorganic Chemistry","2012","51","","8686","8692","10.1021/ic202199t","","","0.71073","MoKα","","0.0283","0.0279","","","0.0583","0.0584","","","","","","1.442","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329990","14.65","0.0007","14.65","0.0007","14.65","0.0007","90","","90","","90","","3144.2","0.3","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Sodium Sillicide","","","- Na14.7 Si136 -","- Na14.864 Si136 -","- Na14.864 Si136 -","1","0.00520833","","Stevce Stefanoski; Christos D. Malliakas; Mercouri G. Kanatzidis; George S. Nolas","Synthesis and Structural Characterization of NaxSi136 (0 < x <= 24) Single Crystals and Low-Temperature Transport of Polycrystalline Specimens","Inorganic Chemistry","2012","51","","8686","8692","10.1021/ic202199t","","","0.71073","MoKα","","0.0312","0.0285","","","0.0567","0.0628","","","","","","1.399","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329991","27.2252","0.0005","11.592","0.0002","8.1745","0.0002","90","","90","","90","","2579.83","0.09","133","2","133","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H21 F6 N6 O Os P -","- C25 H21 F6 N6 O Os P -","- C100 H84 F24 N24 O4 Os4 P4 -","4","1","","Lai-Hon Chung; Siu-Chung Chan; Wing-Chun Lee; Chun-Yuen Wong","Emissive Osmium(II) Complexes Supported by N-Heterocyclic Carbene-based C^C^C-Pincer Ligands and Aromatic Diimines","Inorganic Chemistry","2012","51","","8693","8703","10.1021/ic202726g","","","1.54178","CuKα","","0.0302","0.0297","","","0.0773","0.0776","","","","","","1.108","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329992","11.6127","0.0004","14.5454","0.0006","17.8962","0.0009","90","","90","","90","","3022.9","0.2","133","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl2 F6 N6 O Os P -","- C28 H23 Cl2 F6 N6 O Os P -","- C112 H92 Cl8 F24 N24 O4 Os4 P4 -","4","1","","Lai-Hon Chung; Siu-Chung Chan; Wing-Chun Lee; Chun-Yuen Wong","Emissive Osmium(II) Complexes Supported by N-Heterocyclic Carbene-based C^C^C-Pincer Ligands and Aromatic Diimines","Inorganic Chemistry","2012","51","","8693","8703","10.1021/ic202726g","","","1.54178","CuKα","","0.0349","0.033","","","0.0989","0.1127","","","","","","1.098","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329993","10.2492","0.0002","28.2768","0.0005","14.0485","0.0003","90","","109.754","0.002","90","","3831.86","0.14","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 Cl2 F6 N6 O2 Os P -","- C38 H27 Cl2 F6 N6 O2 Os P -","- C152 H108 Cl8 F24 N24 O8 Os4 P4 -","4","1","","Lai-Hon Chung; Siu-Chung Chan; Wing-Chun Lee; Chun-Yuen Wong","Emissive Osmium(II) Complexes Supported by N-Heterocyclic Carbene-based C^C^C-Pincer Ligands and Aromatic Diimines","Inorganic Chemistry","2012","51","","8693","8703","10.1021/ic202726g","","","1.54178","CuKα","","0.0522","0.0509","","","0.1433","0.1448","","","","","","1.021","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329994","10.4927","0.0018","15.606","0.003","10.6505","0.0018","90","","111.242","0.004","90","","1625.5","0.5","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H49 B F4 N2 Ni P2 -","- C28 H49 B F4 N2 Ni P2 -","- C56 H98 B2 F8 N4 Ni2 P4 -","2","1","","Oana R. Luca; James D. Blakemore; Steven J. Konezny; Jeremy M. Praetorius; Timothy J. Schmeier; Glendon B. Hunsinger; Victor S. Batista; Gary W. Brudvig; Nilay Hazari; Robert H. Crabtree","Organometallic Ni Pincer Complexes for the Electrocatalytic Production of Hydrogen","Inorganic Chemistry","2012","51","","8704","8709","10.1021/ic300009a","","","0.71075","MoKα","","","0.0581","","","","0.1264","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329995","21.0177","0.0008","16.8869","0.0007","22.5197","0.0009","90","","92.657","0.003","90","","7984.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H104 Cu2 F10 Ge2 N4 -","- C86 H104 Cu2 F10 Ge2 N4 -","- C344 H416 Cu8 F40 Ge8 N16 -","4","0.5","","Na Zhao; Jinyuan Zhang; Ying Yang; Hongping Zhu; Yan Li; Gang Fu","β-Diketiminate Germylene-Supported Pentafluorophenylcopper(I) and -silver(I) Complexes [LGe(Me)(CuC6F5)n]2 (n = 1, 2), LGe[C(SiMe3)N2]AgC6F5, and {LGe[C(SiMe3)N2](AgC6F5)2}2 (L = HC[C(Me)N-2,6-iPr2C6H3]2): Synthesis and Structural Characterization","Inorganic Chemistry","2012","51","","8710","8718","10.1021/ic300216m","","","0.71073","MoKα","","0.0743","0.0584","","","0.149","0.1531","","","","","","1.118","","","","has coordinates,has disorder","179402","2020-10-21","18:00:00",""
"4329996","13.638","0.003","21.394","0.004","16.103","0.003","90","","105.49","0.03","90","","4527.7","1.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87.5 H92 Cu4 F20 Ge2 N4 -","- C87.5 H88 Cu4 F20 Ge2 N4 -","- C175 H176 Cu8 F40 Ge4 N8 -","2","0.5","","Na Zhao; Jinyuan Zhang; Ying Yang; Hongping Zhu; Yan Li; Gang Fu","β-Diketiminate Germylene-Supported Pentafluorophenylcopper(I) and -silver(I) Complexes [LGe(Me)(CuC6F5)n]2 (n = 1, 2), LGe[C(SiMe3)N2]AgC6F5, and {LGe[C(SiMe3)N2](AgC6F5)2}2 (L = HC[C(Me)N-2,6-iPr2C6H3]2): Synthesis and Structural Characterization","Inorganic Chemistry","2012","51","","8710","8718","10.1021/ic300216m","","","0.71073","MoKα","","0.0548","0.041","","","0.1266","0.135","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329997","11.3442","0.0003","17.0271","0.0005","21.549","0.0005","90","","102.671","0.002","90","","4061.01","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 Ag F5 Ge N4 Si -","- C39 H50 Ag F5 Ge N4 Si -","- C156 H200 Ag4 F20 Ge4 N16 Si4 -","4","1","","Na Zhao; Jinyuan Zhang; Ying Yang; Hongping Zhu; Yan Li; Gang Fu","β-Diketiminate Germylene-Supported Pentafluorophenylcopper(I) and -silver(I) Complexes [LGe(Me)(CuC6F5)n]2 (n = 1, 2), LGe[C(SiMe3)N2]AgC6F5, and {LGe[C(SiMe3)N2](AgC6F5)2}2 (L = HC[C(Me)N-2,6-iPr2C6H3]2): Synthesis and Structural Characterization","Inorganic Chemistry","2012","51","","8710","8718","10.1021/ic300216m","","","0.71073","MoKα","","0.0626","0.0316","","","0.0519","0.0552","","","","","","0.795","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329998","13.8783","0.0006","21.7083","0.0007","16.1356","0.0008","90","","102.47","0.004","90","","4746.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H100 Ag4 F20 Ge2 N8 Si2 -","- C90 H100 Ag4 F20 Ge2 N8 Si2 -","- C180 H200 Ag8 F40 Ge4 N16 Si4 -","2","0.5","","Na Zhao; Jinyuan Zhang; Ying Yang; Hongping Zhu; Yan Li; Gang Fu","β-Diketiminate Germylene-Supported Pentafluorophenylcopper(I) and -silver(I) Complexes [LGe(Me)(CuC6F5)n]2 (n = 1, 2), LGe[C(SiMe3)N2]AgC6F5, and {LGe[C(SiMe3)N2](AgC6F5)2}2 (L = HC[C(Me)N-2,6-iPr2C6H3]2): Synthesis and Structural Characterization","Inorganic Chemistry","2012","51","","8710","8718","10.1021/ic300216m","","","0.71073","MoKα","","0.1102","0.0415","","","0.0399","0.0465","","","","","","0.636","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329999","11.7238","0.0007","11.8877","0.0007","15.238","0.0013","96.224","0.001","103.748","0.001","113.888","0.001","1835.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H94 Co2 O26 P8 V2 -","- C58 H94 Co2 O26 P8 V2 -","- C58 H94 Co2 O26 P8 V2 -","1","0.5","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.0395","0.0313","","","0.0796","0.0858","","","","","","1.034","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4330000","13.1414","0.0006","15.3604","0.0007","32.0801","0.0014","90","","90","","90","","6475.6","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H86 Co2 O26 P8 V2 -","- C46 H86 Co2 O26 P8 V2 -","- C184 H344 Co8 O104 P32 V8 -","4","0.5","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.0673","0.0566","","","0.1419","0.1489","","","","","","1.091","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330001","12.2986","0.0012","25.4641","0.0024","20.5721","0.002","90","","95.684","0.015","90","","6410.9","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H82 Co2 O26 P8 V2 -","- C46 H81.5 Co2 O26 P8 V2 -","- C184 H326 Co8 O104 P32 V8 -","4","2","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.0777","0.0582","","","0.1345","0.1498","","","","","","1.024","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330002","13.904","0.002","16.653","0.003","15.653","0.003","90","","111.036","0.002","90","","3382.8","1","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H80 Co2 N2 O32 P8 V2 -","- C46 H80 Co2 N2 O32 P8 V2 -","- C92 H160 Co4 N4 O64 P16 V4 -","2","0.5","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.0573","0.041","","","0.1025","0.117","","","","","","1.078","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330003","27.677","0.004","19.465","0.003","26.336","0.004","90","","97.814","0.003","90","","14056","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H162 Co4 K4 O66 P18 V8 -","- C74 H162 Co4 K4 O66 P18 V8 -","- C296 H648 Co16 K16 O264 P72 V32 -","4","0.5","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.1058","0.0663","","","0.156","0.1738","","","","","","1.014","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330004","17.116","0.002","17.308","0.002","23.67","0.003","109.582","0.002","90.397","0.002","118.739","0.002","5671.6","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H219 Co6 K6 O104 P27 V12 -","- C111 H203 Co6 K6 O104.94 P27 V12 -","- C111 H203 Co6 K6 O104.94 P27 V12 -","1","0.5","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.2996","0.1338","","","0.3621","0.4558","","","","","","1.015","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330005","11.9251","0.0008","15.7419","0.001","18.0135","0.0012","90","","109.224","0.001","90","","3193","0.4","173","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H90 Co2 O26 P8 V2 -","- C42 H90 Co2 O26 P8 V2 -","- C84 H180 Co4 O52 P16 V4 -","2","0.5","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.0771","0.0616","","","0.1291","0.1349","","","","","","1.207","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330006","11.8684","0.0017","16.456","0.002","17.146","0.003","116.304","0.003","98.167","0.004","90.754","0.004","2960.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H42 Cl Co O13.5 P3 V -","- C17 H42 Cl Co O13.5 P3 V -","- C68 H168 Cl4 Co4 O54 P12 V4 -","4","2","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.0467","0.0349","","","0.0916","0.1015","","","","","","1.021","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330007","8.752","0.002","40.166","0.009","9.726","0.002","90","","90","","90","","3419","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H42 N10 O17 Zn2 -","- C21 H40 N10 O17 Zn2 -","- C84 H160 N40 O68 Zn8 -","4","1","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.0721","0.0424","","","0.0931","0.1033","","","","","","0.917","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330008","25.599","","11.871","","16.507","","90","","90","","90","","5016.24","","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H23 Cl3 N4 O Zn2 -","- C23 H23 Cl3 N4 O Zn2 -","- C184 H184 Cl24 N32 O8 Zn16 -","8","1","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.1136","0.0427","","","0.096","0.1165","","","","","","0.847","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330009","10.977","0.003","18.852","0.005","24.156","0.005","90","","90","","90","","4999","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 Cl3 N4 O Zn2 -","- C21 H31 Cl3 N4 O Zn2 -","- C168 H248 Cl24 N32 O8 Zn16 -","8","2","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.1074","0.0479","","","0.1094","0.1268","","","","","","0.844","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330010","15.7855","0.0018","29.275","0.003","8.7622","0.001","90","","90","","90","","4049.2","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H36 N2 O9 Zn2 -","- C36 H34 N2 O9 Zn2 -","- C144 H136 N8 O36 Zn8 -","4","0.5","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.1046","0.0665","","","0.2071","0.2258","","","","","","1.043","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330011","9.3187","0.0018","11.67","0.002","20.982","0.004","90","","100.744","0.003","90","","2241.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl2 N2 O Zn -","- C23 H22 Cl2 N2 O Zn -","- C92 H88 Cl8 N8 O4 Zn4 -","4","1","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.1255","0.0938","","","0.2522","0.309","","","","","","1.153","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330012","9.2613","0.0017","11.147","0.002","20.698","0.004","90","","100.568","0.002","90","","2100.5","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N2 O S2 Zn -","- C19 H18 Cl2 N2 O S2 Zn -","- C76 H72 Cl8 N8 O4 S8 Zn4 -","4","1","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.0706","0.0574","","","0.1734","0.1849","","","","","","1.064","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330013","8.3611","0.0009","24.085","0.003","11.75","0.0013","90","","106.405","0.001","90","","2269.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl2 N2 O S2 Zn -","- C21 H22 Cl2 N2 O S2 Zn -","- C84 H88 Cl8 N8 O4 S8 Zn4 -","4","1","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.0477","0.0374","","","0.1062","0.1131","","","","","","1.044","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330014","12.2766","0.0015","19.514","0.003","18.05","0.002","90","","90","","90","","4324.2","1","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl2 N6 O12 Zn2 -","- C34 H44 Cl2 N6 O12 Zn2 -","- C136 H176 Cl8 N24 O48 Zn8 -","4","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0589","0.0419","","","0.1349","0.1512","","","","","","1.12","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330015","12.4183","0.0016","19.863","0.003","18.096","0.002","90","","90","","90","","4463.6","1","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H50 Cl2 N6 O14 Zn2 -","- C36 H50 Cl2 N6 O14 Zn2 -","- C144 H200 Cl8 N24 O56 Zn8 -","4","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0998","0.0652","","","0.1749","0.1967","","","","","","1.179","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330016","12.2586","0.001","19.7101","0.0016","17.9933","0.0014","90","","90","","90","","4347.5","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H52 N8 O12 Zn2 -","- C36 H52 N8 O12 Zn2 -","- C144 H208 N32 O48 Zn8 -","4","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0789","0.0529","","","0.1582","0.1844","","","","","","1.199","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330017","10.0033","0.0007","12.2384","0.0008","13.003","0.0009","90","","107.016","0.003","90","","1522.2","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Cl2 N4 O2 Zn2 -","- C30 H38 Cl2 N4 O2 Zn2 -","- C60 H76 Cl4 N8 O4 Zn4 -","2","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0406","0.0326","","","0.0732","0.077","","","","","","1.009","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330018","9.323","0.003","9.027","0.003","19.506","0.007","90","","91.625","0.004","90","","1640.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N10 O2 Zn2 -","- C30 H38 N10 O2 Zn2 -","- C60 H76 N20 O4 Zn4 -","2","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0485","0.0387","","","0.1303","0.1397","","","","","","1.078","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330019","18.486","0.002","11.5384","0.0013","18.538","0.002","90","","117.638","0.001","90","","3503","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N6 O2 S2 Zn2 -","- C32 H38 N6 O2 S2 Zn2 -","- C128 H152 N24 O8 S8 Zn8 -","4","1","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.1551","0.0504","","","0.0653","0.0868","","","","","","0.998","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330020","12.711","0.004","16.421","0.005","19.282","0.005","90","","128.227","0.014","90","","3161.6","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N6 O4 Zn2 -","- C32 H38 N6 O4 Zn2 -","- C128 H152 N24 O16 Zn8 -","4","1","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.048","0.0321","","","0.0821","0.0912","","","","","","1.036","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330021","9.7122","0.0014","12.8555","0.0018","16.278","0.002","83.847","0.004","77.848","0.005","84.073","0.004","1968.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H45 N7 O3 Se2 Zn2 -","- C35 H45 N7 O3 Se2 Zn2 -","- C70 H90 N14 O6 Se4 Zn4 -","2","1","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0625","0.0419","","","0.1325","0.1485","","","","","","1.03","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330022","8.9664","0.0004","9.0191","0.0004","12.6124","0.0005","70.242","0.002","86.565","0.002","66.566","0.002","877.44","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Cd2 N4 O6 -","- C34 H44 Cd2 N4 O6 -","- C34 H44 Cd2 N4 O6 -","1","0.5","","Samit Majumder; Leena Mandal; Sasankasekhar Mohanta","Syntheses, Structures, and Steady State and Time Resolved Photophysical Properties of a Tetraiminodiphenol Macrocyclic Ligand and Its Dinuclear Zinc(II)/Cadmium(II) Complexes with Coordinating and Noncoordinating Anions","Inorganic Chemistry","2012","51","","8739","8749","10.1021/ic300412u","","","0.71073","MoKα","","0.0387","0.0307","","","0.0817","0.1072","","","","","","1.101","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330023","10.9325","0.0002","16.496","0.0003","18.1446","0.0003","90","","107.277","0.001","90","","3124.6","0.1","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl2 N5 O10 Zn -","- C32 H27 Cl2 N5 O10 Zn -","- C128 H108 Cl8 N20 O40 Zn4 -","4","1","","Ji Eon Kwon; Sumin Lee; Youngmin You; Kyung-Hwa Baek; Kei Ohkubo; Jaeheung Cho; Shunichi Fukuzumi; Injae Shin; Soo Young Park; Wonwoo Nam","Fluorescent Zinc Sensor with Minimized Proton-Induced Interferences: Photophysical Mechanism for Fluorescence Turn-On Response and Detection of Endogenous Free Zinc Ions","Inorganic Chemistry","2012","51","","8760","8774","10.1021/ic300476e","","","0.71073","MoKα","","0.0365","0.0296","","","0.1069","0.115","","","","","","0.951","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330024","18.675","0.003","25.903","0.005","29.294","0.005","65.962","0.002","87.062","0.002","85.706","0.002","12902","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","U6w15","","","- Na O119 U6 W15 -","- Na O119 U6 W15 -","- Na4 O476 U24 W60 -","4","2","","Pere Miró; Jie Ling; Jie Qiu; Peter C. Burns; Laura Gagliardi; Christopher J. Cramer","Experimental and Computational Study of a New Wheel-Shaped {[W5O21]3[(UVIO2)2(μ-O2)]3}30- Polyoxometalate","Inorganic Chemistry","2012","51","","8784","8790","10.1021/ic3005536","","","0.71073","MoKα","","0.3056","0.1385","","","0.2985","0.3576","","","","","","1.046","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330025","10.50502","","10.50502","","6.38831","","90","","90","","120","","610.535","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B5 Ca3 Ce1.5 La1.5 O15 -","- B2.5 Ca1.4937 Ce0.7551 La0.75555 O7.5 -","- B10 Ca5.9748 Ce3.0204 La3.0222 O30 -","4","0.333333","","Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao","Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation","Inorganic Chemistry","2012","51","","8802","8809","10.1021/ic3006053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330026","10.5065","","10.5065","","6.40123","","90","","90","","120","","611.942","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B5 Ca3 Ce0.9 La2.1 O15 -","- B2.5 Ca1.50045 Ce0.4533 La1.0536 O7.5 -","- B10 Ca6.0018 Ce1.8132 La4.2144 O30 -","4","0.333333","","Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao","Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation","Inorganic Chemistry","2012","51","","8802","8809","10.1021/ic3006053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330027","10.50803","","10.50803","","6.41329","","90","","90","","120","","613.273","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B5 Ca3 Ce0.3 La2.7 O15 -","- B2.5 Ca1.5018 Ce0.1518 La1.35345 O7.5 -","- B10 Ca6.0072 Ce0.6072 La5.4138 O30 -","4","0.333333","","Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao","Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation","Inorganic Chemistry","2012","51","","8802","8809","10.1021/ic3006053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330028","10.51116","","10.51116","","6.41455","","90","","90","","120","","613.759","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B5 Ca3 Ce0.2 La2.8 O15 -","- B2.5 Ca1.50465 Ce0.06165 La1.4382 O7.5 -","- B10 Ca6.0186 Ce0.2466 La5.7528 O30 -","4","0.333333","","Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao","Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation","Inorganic Chemistry","2012","51","","8802","8809","10.1021/ic3006053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330029","10.509484","0.000063","10.509484","0.000063","6.418076","0.000072","90","","90","","120","","613.901","0.009","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B5 Ca3 Ce0.1 La2.9 O15 -","- B2.5 Ca1.50195 Ce0.0147 La1.48845 O7.5 -","- B10 Ca6.0078 Ce0.0588 La5.9538 O30 -","4","0.333333","","Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao","Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation","Inorganic Chemistry","2012","51","","8802","8809","10.1021/ic3006053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330030","10.50975","","10.50975","","6.41935","","90","","90","","120","","614.054","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- B5 Ca3 La3 O15 -","- B2.5 Ca1.5 La1.5 O7.5 -","- B10 Ca6 La6 O30 -","4","0.333333","","Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao","Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation","Inorganic Chemistry","2012","51","","8802","8809","10.1021/ic3006053","","","","","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4330031","30.2598","0.0009","14.9444","0.0004","10.2439","0.0003","90","","102.862","0.001","90","","4516.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H40 Eu N9 O8 -","- C51 H40 Eu N9 O8 -","- C204 H160 Eu4 N36 O32 -","4","0.5","","A. R. Ramya; Debajit Sharma; Srinivasan Natarajan; M. L. P. Reddy","Highly Luminescent and Thermally Stable Lanthanide Coordination Polymers Designed from 4-(Dipyridin-2-yl)aminobenzoate: Efficient Energy Transfer from Tb3+ to Eu3+ in a Mixed Lanthanide Coordination Compound","Inorganic Chemistry","2012","51","","8818","8826","10.1021/ic300654e","","","0.71073","MoKα","","0.0226","0.0178","","","0.0448","0.0475","","","","","","1.039","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4330032","29.502","0.003","15.9006","0.001","10.0813","0.0008","90","","102.716","0.009","90","","4613.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tb - carboxylate","","","- C51 H36 N9 O9 Tb -","- C51 H36 N9 O9 Tb -","- C204 H144 N36 O36 Tb4 -","4","0.5","","A. R. Ramya; Debajit Sharma; Srinivasan Natarajan; M. L. P. Reddy","Highly Luminescent and Thermally Stable Lanthanide Coordination Polymers Designed from 4-(Dipyridin-2-yl)aminobenzoate: Efficient Energy Transfer from Tb3+ to Eu3+ in a Mixed Lanthanide Coordination Compound","Inorganic Chemistry","2012","51","","8818","8826","10.1021/ic300654e","","","0.71073","MoKα","","0.107","0.077","","","0.1507","0.1691","","","","","","0.974","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330033","5.0782","0.0009","11.2889","0.001","6.402","0.0011","90","","107.827","0.009","90","","349.39","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B Bi Co2 O10 P2 -","- B Bi Co2 O10 P2 -","- B2 Bi2 Co4 O20 P4 -","2","0.5","","Wei-Long Zhang; Zhang-Zhen He; Tian-Long Xia; Zhong-Zhen Luo; Hao Zhang; Chen-Sheng Lin; Wen-Dan Cheng","Syntheses and Magnetic Properties Study of Isostructural BiM2BP2O10 (M = Co, Ni) Containing a Quasi-1D Linear Chain Structure","Inorganic Chemistry","2012","51","","8842","8847","10.1021/ic300758t","","","0.71073","MoKα","","0.0206","0.0195","","","0.047","0.0473","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330034","5.0682","0.0013","11.282","0.003","6.322","0.002","90","","106.948","0.016","90","","345.79","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B Bi Ni2 O10 P2 -","- B Bi Ni2 O10 P2 -","- B2 Bi2 Ni4 O20 P4 -","2","0.5","","Wei-Long Zhang; Zhang-Zhen He; Tian-Long Xia; Zhong-Zhen Luo; Hao Zhang; Chen-Sheng Lin; Wen-Dan Cheng","Syntheses and Magnetic Properties Study of Isostructural BiM2BP2O10 (M = Co, Ni) Containing a Quasi-1D Linear Chain Structure","Inorganic Chemistry","2012","51","","8842","8847","10.1021/ic300758t","","","0.71073","MoKα","","0.0272","0.0258","","","0.0611","0.062","","","","","","1.052","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330035","14.512","0.0017","14.512","0.0017","14.512","0.0017","90","","90","","90","","3056.2","0.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au18.1 Ga35.9 Na26 -","- Au18.096 Ga35.904 Na26 -","- Au36.192 Ga71.808 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0555","0.0369","","","0.0578","0.0622","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330036","14.597","0.0017","14.597","0.0017","14.597","0.0017","90","","90","","90","","3110.2","0.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au35.97 Ga19.03 Na26 -","- Au35.982 Ga19.018 Na26 -","- Au71.964 Ga38.036 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0381","0.0289","","","0.0589","0.0626","","","","","","1.068","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330037","14.581","0.002","14.581","0.002","14.581","0.002","90","","90","","90","","3100","0.7","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au40.93 Ge14.07 Na26 -","- Au40.93 Ge14.07 Na26 -","- Au81.86 Ge28.14 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0504","0.0329","","","0.0585","0.0619","","","","","","1.11","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330038","15.009","0.007","15.009","0.007","15.009","0.007","90","","90","","90","","3381","3","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au39.83 Na26 Sn15.17 -","- Au39.832 Na26 Sn15.168 -","- Au79.664 Na52 Sn30.336 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0382","0.0324","","","0.065","0.0673","","","","","","1.084","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330039","14.492","0.0017","14.492","0.0017","14.492","0.0017","90","","90","","90","","3043.6","0.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au19.53 Ga34.47 Na26 -","- Au19.536 Ga34.464 Na26 -","- Au39.072 Ga68.928 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0634","0.039","","","0.0698","0.0774","","","","","","1.022","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330040","14.5925","0.0018","14.5925","0.0018","14.5925","0.0018","90","","90","","90","","3107.3","0.7","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au35.17 Ga19.83 Na26 -","- Au35.166 Ga19.834 Na26 -","- Au70.332 Ga39.668 Na52 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.058","0.0335","","","0.0704","0.0782","","","","","","1.016","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330041","15.0194","0.001","15.0194","0.001","15.0194","0.001","90","","90","","90","","3388.1","0.4","273","2","273","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Au38.54 Na26 Sn13.45 -","- Au38.548 Na26 Sn13.452 -","- Au77.096 Na52 Sn26.904 -","2","0.0416667","","Qisheng Lin; Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Conventional and Stuffed Bergman-Type Phases in the Na-Au-T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere-Brillouin Zone Interactions","Inorganic Chemistry","2012","51","","8882","8889","10.1021/ic300866q","","","0.71073","MoKα","","0.0314","0.023","","","0.0445","0.0468","","","","","","1.055","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330042","15.014","0.003","9.896","0.002","21.02","0.004","90","","99.97","0.03","90","","3076","1.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F6 O6 P2 S2 Se -","- C28 H24 F6 O6 P2 S2 Se -","- C112 H96 F24 O24 P8 S8 Se4 -","4","0.5","","Jonathan W. Dube; Mikko M. Hänninen; Jason L. Dutton; Heikki M. Tuononen; Paul J. Ragogna","Homoleptic Pnictogen-Chalcogen Coordination Complexes","Inorganic Chemistry","2012","51","","8897","8903","10.1021/ic300892p","","","0.71073","MoKα","","0.0643","0.0416","","","0.1079","0.137","","","","","","1.121","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330043","24.418","0.004","24.418","0.004","13.727","0.003","90","","90","","120","","7088","2","150","2","150","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C28.66 H24 F6 N0.33 O6 P2 S2 Te -","- C28.6667 H24 F6 N0.333333 O6 P2 S2 Te -","- C258 H216 F54 N3 O54 P18 S18 Te9 -","9","1","","Jonathan W. Dube; Mikko M. Hänninen; Jason L. Dutton; Heikki M. Tuononen; Paul J. Ragogna","Homoleptic Pnictogen-Chalcogen Coordination Complexes","Inorganic Chemistry","2012","51","","8897","8903","10.1021/ic300892p","","","0.71073","MoKα","","0.0958","0.0722","","","0.1716","0.1897","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330044","24.606","0.002","24.606","0.002","13.9212","0.0012","90","","90","","120","","7299.4","1","150","2","150","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C28.66 H24 As2 F6 N0.33 O6 S2 Te -","- C28.6627 H24 As2 F6.003 N0.333333 O6 S2 Te -","- C257.964 H216 As18 F54.027 N3 O54 S18 Te9 -","9","1","","Jonathan W. Dube; Mikko M. Hänninen; Jason L. Dutton; Heikki M. Tuononen; Paul J. Ragogna","Homoleptic Pnictogen-Chalcogen Coordination Complexes","Inorganic Chemistry","2012","51","","8897","8903","10.1021/ic300892p","","","0.71073","MoKα","","0.0726","0.0543","","","0.1007","0.1074","","","","","","1.028","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330045","14.722","0.003","13.733","0.003","25.207","0.005","90","","90","","90","","5096.3","1.8","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Fe N3 Ni S2 -","- C24 H25 Fe N3 Ni S2 -","- C192 H200 Fe8 N24 Ni8 S16 -","8","1","","Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey","Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes","Inorganic Chemistry","2012","51","","8916","8930","10.1021/ic300900m","","","0.71073","MoKα","","0.0793","0.0541","","","0.1391","0.1564","","","","","","1.069","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330046","15.394","0.002","15.394","0.002","12.146","0.002","90","","90","","90","","2878.3","0.7","153","2","153","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H29 Fe N3 Ni S2 -","- C26 H29 Fe N3 Ni S2 -","- C104 H116 Fe4 N12 Ni4 S8 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey","Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes","Inorganic Chemistry","2012","51","","8916","8930","10.1021/ic300900m","","","0.71073","MoKα","","0.0554","0.0399","","","0.0985","0.1072","","","","","","1.076","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330047","13.696","0.003","14.344","0.003","13.845","0.003","90","","95.75","0.03","90","","2706.2","1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Fe N3 Pd S2 -","- C24 H25 Fe N3 Pd S2 -","- C96 H100 Fe4 N12 Pd4 S8 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey","Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes","Inorganic Chemistry","2012","51","","8916","8930","10.1021/ic300900m","","","0.71073","MoKα","","0.1093","0.0615","","","0.1503","0.1743","","","","","","1.028","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330048","15.4391","0.0001","15.4391","0.0001","12.1843","0.0002","90","","90","","90","","2904.32","0.05","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H29 Fe N3 Pd S2 -","- C26 H29 Fe N3 Pd S2 -","- C104 H116 Fe4 N12 Pd4 S8 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey","Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes","Inorganic Chemistry","2012","51","","8916","8930","10.1021/ic300900m","","","0.71073","MoKα","","0.0334","0.0287","","","0.0811","0.0844","","","","","","1.158","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330049","20.7681","0.0008","20.7681","0.0008","27.296","0.002","90","","90","","120","","10195.8","0.9","173","2","173","2","","","","","","","","10","P -3","-P 3","147","","","","- C51 H67 B Cl4 F4 Fe Ni O2 P3 S2 -","- C49 H63 B1.01 F4.04 Fe Ni O2 P3 S2 -","- C294 H378 B6.06 F24.24 Fe6 Ni6 O12 P18 S12 -","6","1","","David Schilter; Thomas B. Rauchfuss; Matthias Stein","Connecting [NiFe]- and [FeFe]-Hydrogenases: Mixed-Valence Nickel-Iron Dithiolates with Rotated Structures","Inorganic Chemistry","2012","51","","8931","8941","10.1021/ic300910r","","","0.71073","MoKα","","0.124","0.0631","","","0.1515","0.1684","","","","","","0.95","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330050","21.8734","0.0013","10.7843","0.0007","26.3625","0.0014","90","","107.627","0.004","90","","5926.7","0.6","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H95 B Cl2 F4 Fe Ni O2 P3 S2 -","- C50 H89 B Cl2 F4 Fe Ni O2 P3 S2 -","- C200 H356 B4 Cl8 F16 Fe4 Ni4 O8 P12 S8 -","4","1","","David Schilter; Thomas B. Rauchfuss; Matthias Stein","Connecting [NiFe]- and [FeFe]-Hydrogenases: Mixed-Valence Nickel-Iron Dithiolates with Rotated Structures","Inorganic Chemistry","2012","51","","8931","8941","10.1021/ic300910r","","","1.54178","CuKα","","0.0948","0.0592","","","0.1324","0.1473","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330051","9.826","0.005","14.274","0.005","15.065","0.005","102.102","0.005","94.45","0.005","99.862","0.005","2021.3","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 Ag8 Ga0 N2 O12 P2 -","- C32 H33 Ag8 N2 O12 P2 -","- C64 H66 Ag16 N4 O24 P4 -","2","1","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I) Ethynide Coordination Networks and Clusters Assembled with tert-Butylphosphonic Acid","Inorganic Chemistry","2012","51","","8640","8642","10.1021/ic300913u","","","0.71069","MoKα","","0.1618","0.0633","","","0.1339","0.1781","","","","","","0.946","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330052","9.4371","0.0009","9.4971","0.001","16.5075","0.0017","89.007","0.002","87.254","0.002","78.696","0.002","1449.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Ag6 N2 O11 P -","- C22 H23 Ag6 N2 O11 P -","- C44 H46 Ag12 N4 O22 P2 -","2","1","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I) Ethynide Coordination Networks and Clusters Assembled with tert-Butylphosphonic Acid","Inorganic Chemistry","2012","51","","8640","8642","10.1021/ic300913u","","","0.71073","MoKα","","0.0806","0.0428","","","0.0849","0.0983","","","","","","1.004","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330053","19.3197","0.0013","28.57","0.002","34.149","0.002","110.635","0.001","96.484","0.002","91.275","0.001","17488","2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C227.5 H397 Ag56 F18 N2 O45 P8 S0 Si3 -","- C227.5 H360 Ag56 F18 N2 O45 P8 Si3 -","- C455 H720 Ag112 F36 N4 O90 P16 Si6 -","2","1","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I) Ethynide Coordination Networks and Clusters Assembled with tert-Butylphosphonic Acid","Inorganic Chemistry","2012","51","","8640","8642","10.1021/ic300913u","","","0.71073","MoKα","","0.2279","0.1045","","","0.2698","0.3462","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330054","19.966","0.005","35.145","0.011","18.637","0.004","90","","90.059","0.006","90","","13078","6","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C92 H155 Ag22 B Cl F6 N0 O11.5 P2 -","- C92 H126 Ag22 B Cl F6 O11.5 P2 -","- C368 H504 Ag88 B4 Cl4 F24 O46 P8 -","4","0.5","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I) Ethynide Coordination Networks and Clusters Assembled with tert-Butylphosphonic Acid","Inorganic Chemistry","2012","51","","8640","8642","10.1021/ic300913u","","","0.71073","MoKα","","0.2326","0.1299","","","0.2715","0.3241","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330055","13.3467","0.0005","29.9015","0.0011","14.6339","0.0006","90","","90","","90","","5840.2","0.4","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28.5 H39 Cl N2 O6 Zn -","- C28.5 H39 Cl N2 O6 Zn -","- C228 H312 Cl8 N16 O48 Zn8 -","8","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.0685","0.0433","","","0.0933","0.1031","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330056","13.2743","0.0007","29.7684","0.0014","14.6565","0.0007","90","","90","","90","","5791.6","0.5","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28.5 H39 Cl N2 O6 Zn -","- C28.5 H39 Cl N2 O6 Zn -","- C228 H312 Cl8 N16 O48 Zn8 -","8","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.0519","0.0389","","","0.0942","0.1013","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330057","16.1449","0.0013","24.1265","0.0018","30.798","0.002","90","","90","","90","","11996.4","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 N2 O6.67 Zn -","- C36 H56 N2 O6.66667 Zn -","- C432 H672 N24 O80 Zn12 -","12","3","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.1668","0.0782","","","0.1715","0.2106","","","","","","1.03","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330058","8.3882","0.0011","11.5834","0.0012","15.6238","0.0017","104.822","0.007","95.921","0.007","93.118","0.008","1454.6","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H72 Cl4 N4 O12 Zn2 -","- C54 H72 Cl4 N4 O12 Zn2 -","- C54 H72 Cl4 N4 O12 Zn2 -","1","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.1238","0.0896","","","0.235","0.2631","","","","","","1.049","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330059","11.8749","0.0004","12.7931","0.0005","14.4674","0.0006","106.696","0.002","97.038","0.002","100.631","0.002","2032.77","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C92 H116 N4 O14 Zn2 -","- C92 H116 N4 O14 Zn2 -","- C92 H116 N4 O14 Zn2 -","1","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.0686","0.0461","","","0.1011","0.1111","","","","","","0.986","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330060","11.8706","0.0007","12.7734","0.0009","14.4742","0.001","106.635","0.002","97.083","0.002","100.62","0.001","2030.4","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C92 H116 N4 O14 Zn2 -","- C92 H116 N4 O14 Zn2 -","- C92 H116 N4 O14 Zn2 -","1","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.0616","0.0481","","","0.1274","0.1577","","","","","","1.037","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330061","4.0579","","4.0579","","7.4396","","90","","90","","90","","122.505","","","","293","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Cu4 Eu P3 -","- Cu4 Eu P3 -","- Cu4 Eu P3 -","1","0.0625","","Dmitri O. Charkin; Arthur V. Urmanov; Sergey M. Kazakov; Dmitri Batuk; Artem M. Abakumov; Stephan Knöner; Elena Gati; Bernd Wolf; Michael Lang; Andrey V. Shevelkov; Gustaaf Van Tendeloo; Evgeni V. Antipov","Synthesis, Crystal Structure, Transport, and Magnetic Properties of Novel Ternary Copper Phosphides, A2Cu6P5 (A = Sr, Eu) and EuCu4P3","Inorganic Chemistry","2012","51","","8948","8955","10.1021/ic301033h","powder diffraction","","1.5406","x-ray","","0.0346","0.0286","","","0.0227","0.0229","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330062","4.116","","4.116","","24.6486","0.0003","90","","90","","90","","417.583","0.005","","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Cu6 P5 Sr2 -","- Cu6 P5 Sr2 -","- Cu12 P10 Sr4 -","2","0.0625","","Dmitri O. Charkin; Arthur V. Urmanov; Sergey M. Kazakov; Dmitri Batuk; Artem M. Abakumov; Stephan Knöner; Elena Gati; Bernd Wolf; Michael Lang; Andrey V. Shevelkov; Gustaaf Van Tendeloo; Evgeni V. Antipov","Synthesis, Crystal Structure, Transport, and Magnetic Properties of Novel Ternary Copper Phosphides, A2Cu6P5 (A = Sr, Eu) and EuCu4P3","Inorganic Chemistry","2012","51","","8948","8955","10.1021/ic301033h","powder diffraction","","1.5406","x-ray","","0.0391","0.0387","","","0.0339","0.0339","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330063","4.0745","","4.0745","","24.6132","0.0003","90","","90","","90","","408.617","0.005","","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Cu6 Eu2 P5 -","- Cu6 Eu2 P5 -","- Cu12 Eu4 P10 -","2","0.0625","","Dmitri O. Charkin; Arthur V. Urmanov; Sergey M. Kazakov; Dmitri Batuk; Artem M. Abakumov; Stephan Knöner; Elena Gati; Bernd Wolf; Michael Lang; Andrey V. Shevelkov; Gustaaf Van Tendeloo; Evgeni V. Antipov","Synthesis, Crystal Structure, Transport, and Magnetic Properties of Novel Ternary Copper Phosphides, A2Cu6P5 (A = Sr, Eu) and EuCu4P3","Inorganic Chemistry","2012","51","","8948","8955","10.1021/ic301033h","powder diffraction","","1.5406","x-ray","","0.0369","0.0303","","","0.0229","0.0232","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330064","11.75","0.002","19.208","0.003","13.722","0.004","90","","90","","90","","3097","1.2","200","2","200","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C31 H46 O3 Ti3 -","- C31 H46 O3 Ti3 -","- C124 H184 O12 Ti12 -","4","0.5","","María Gómez-Pantoja; Pilar Gómez-Sal; Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría","Co-complexation of Lithium Gallates on the Titanium Molecular Oxide {[Ti(η5-C5Me5)(μ-O)}3(μ3-CH)]","Inorganic Chemistry","2012","51","","8964","8972","10.1021/ic301057u","","x-ray","0.71073","MoKα","","0.0956","0.049","","","0.1217","0.1393","","","","","","0.993","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330065","11.129","0.001","20.839","0.005","22","0.006","90","","99.34","0.014","90","","5034.5","1.9","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H67 Ga O3 Ti3 -","- C55 H67 Ga O3 Ti3 -","- C220 H268 Ga4 O12 Ti12 -","4","1","","María Gómez-Pantoja; Pilar Gómez-Sal; Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría","Co-complexation of Lithium Gallates on the Titanium Molecular Oxide {[Ti(η5-C5Me5)(μ-O)}3(μ3-CH)]","Inorganic Chemistry","2012","51","","8964","8972","10.1021/ic301057u","","x-ray","0.71073","MoKα","","0.1192","0.0715","","","0.166","0.2109","","","","","","1.04","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330066","13.1511","0.0014","13.6372","0.0016","17.017","0.001","87.179","0.006","81.662","0.007","73.237","0.01","2891.2","0.5","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C63 H76 Ga Li O4 Ti3 -","- C63 H76 Ga Li O4 Ti3 -","- C126 H152 Ga2 Li2 O8 Ti6 -","2","1","","María Gómez-Pantoja; Pilar Gómez-Sal; Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría","Co-complexation of Lithium Gallates on the Titanium Molecular Oxide {[Ti(η5-C5Me5)(μ-O)}3(μ3-CH)]","Inorganic Chemistry","2012","51","","8964","8972","10.1021/ic301057u","","x-ray","0.71073","MoKα","","0.1026","0.0496","","","0.1015","0.1174","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330067","26.272","0.003","14.045","0.0013","28.726","0.006","90","","94.04","0.04","90","","10573","3","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C112 H140 Ga2 Li N O6 Ti6 -","- C112 H140 Ga2 Li N O6 Ti6 -","- C448 H560 Ga8 Li4 N4 O24 Ti24 -","4","1","","María Gómez-Pantoja; Pilar Gómez-Sal; Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría","Co-complexation of Lithium Gallates on the Titanium Molecular Oxide {[Ti(η5-C5Me5)(μ-O)}3(μ3-CH)]","Inorganic Chemistry","2012","51","","8964","8972","10.1021/ic301057u","","x-ray","0.71073","MoKα","","0.1621","0.0643","","","0.1294","0.1527","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330068","15.353","0.004","17.205","0.007","18.504","0.007","89.49","0.03","85.67","0.02","83.94","0.02","4847","3","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C105 H131 Ga Li2 O6 Ti6 -","- C105 H131 Ga Li2 O6 Ti6 -","- C210 H262 Ga2 Li4 O12 Ti12 -","2","1","","María Gómez-Pantoja; Pilar Gómez-Sal; Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría","Co-complexation of Lithium Gallates on the Titanium Molecular Oxide {[Ti(η5-C5Me5)(μ-O)}3(μ3-CH)]","Inorganic Chemistry","2012","51","","8964","8972","10.1021/ic301057u","","x-ray","0.71073","MoKα","","0.1418","0.0611","","","0.148","0.1993","","","","","","1.036","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330069","10.9658","0.0012","13.3174","0.0014","15.1216","0.0015","95.939","0.002","102.39","0.002","107.205","0.002","2027.1","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H100 O30 Ti6 -","- C68 H100 O30 Ti6 -","- C68 H100 O30 Ti6 -","1","0.5","","Yin-Yin Wu; Wen Luo; Yu-Hong Wang; Ya-Yang Pu; Xiang Zhang; Li-Sheng You; Qin-Yu Zhu; Jie Dai","Titanium-oxo-Clusters with Dicarboxylates: Single-Crystal Structure and Photochromic Effect","Inorganic Chemistry","2012","51","","8982","8988","10.1021/ic301092b","","","0.71075","MoKα","","0.0792","0.0603","","","0.1581","0.1743","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330070","17.1044","0.001","39.111","0.002","34.202","0.002","90","","90.244","0.002","90","","22880","2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C174 H318 O75 Ti18 -","- C174 H311 O75 Ti18 -","- C696 H1244 O300 Ti72 -","4","1","","Yin-Yin Wu; Wen Luo; Yu-Hong Wang; Ya-Yang Pu; Xiang Zhang; Li-Sheng You; Qin-Yu Zhu; Jie Dai","Titanium-oxo-Clusters with Dicarboxylates: Single-Crystal Structure and Photochromic Effect","Inorganic Chemistry","2012","51","","8982","8988","10.1021/ic301092b","","","0.71075","MoKα","","0.1272","0.0892","","","0.1329","0.1503","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330071","17.7939","0.0008","15.6454","0.0007","22.9473","0.0011","90","","102.616","0.001","90","","6234.1","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H99.2 Al N4 Na O7 -","- C64 H99.294 Al N4 Na O7 -","- C256 H397.176 Al4 N16 Na4 O28 -","4","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","0.71073","MoKα","","0.0717","0.0492","","","0.1239","0.1388","","","","","","0.981","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330072","16.78","0.004","16.551","0.004","22.569","0.004","90","","126.148","0.011","90","","5061","2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 Al N4 Na O6 -","- C50 H78 Al N4 Na O6 -","- C200 H312 Al4 N16 Na4 O24 -","4","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","0.71073","MoKα","","0.209","0.1204","","","0.3042","0.3598","","","","","","1.022","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330073","11.6055","0.0011","18.6657","0.0013","18.7325","0.0015","90","","113.026","0.006","90","","3734.6","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Al N4 O -","- C41 H55 Al N4 O -","- C164 H220 Al4 N16 O4 -","4","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","1.54178","CuKα","","0.0924","0.0542","","","0.138","0.159","","","","","","0.978","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330074","9.4624","0.0002","18.9099","0.0005","27.3736","0.0007","90","","98.673","0.001","90","","4842","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H74 Al N5 O3 S2 -","- C51 H74 Al N5 O3 S2 -","- C204 H296 Al4 N20 O12 S8 -","4","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","1.54178","CuKα","","0.056","0.0481","","","0.1285","0.1353","","","","","","1.02","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330075","17.854","0.013","10.108","0.004","21.223","0.01","90","","115.93","0.04","90","","3444","3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Al N4 S -","- C37 H47 Al N4 S -","- C148 H188 Al4 N16 S4 -","4","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","1.54178","CuKα","","0.0603","0.0453","","","0.1176","0.1264","","","","","","1.028","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330076","11.2952","0.0009","12.7277","0.0009","16.6494","0.0012","86.288","0.004","87.063","0.004","70.001","0.004","2243.4","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H51 Al N4 -","- C52 H51 Al N4 -","- C104 H102 Al2 N8 -","2","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","1.54178","CuKα","","0.0732","0.0586","","","0.1796","0.2098","","","","","","0.946","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330077","17.534","0.008","10.048","0.005","21.297","0.009","90","","114.82","0.03","90","","3406","3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Al N7 -","- C36 H44 Al N7 -","- C144 H176 Al4 N28 -","4","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","0.71073","MoKα","","0.1353","0.0545","","","0.11","0.1342","","","","","","1.01","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330078","12.4915","0.0004","24.3838","0.001","13.6959","0.0005","90","","98.91","0.003","90","","4121.3","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H56 Al N4 S -","- C45 H56 Al N4 S -","- C180 H224 Al4 N16 S4 -","4","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","1.54178","CuKα","","0.2148","0.1263","","","0.311","0.3924","","","","","","1.237","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330079","11.312","0.003","17.236","0.004","22.352","0.006","71.04","0.009","77.992","0.012","85.318","0.012","4031","1.8","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H115 Al2 N10 -","- C91 H114 Al2 N10 -","- C182 H228 Al4 N20 -","2","1","","Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben","Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)","Inorganic Chemistry","2012","51","","8997","9004","10.1021/ic301128m","","","1.54178","CuKα","","0.0951","0.0713","","","0.1846","0.2037","","","","","","1.027","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330080","10.9508","0.0001","10.9508","0.0001","7.1197","0.0001","90","","90","","90","","853.795","0.016","150","2","150","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- C16 H20 Eu N16 O10 Tb W2 -","- C16 Eu N16 O10 Tb W2 -","- C16 Eu N16 O10 Tb W2 -","1","0.0625","","Elena Chelebaeva; Jérôme Long; Joulia Larionova; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; José B. R. Gomes; Alexander Trifonov; Christian Guérin; Yannick Guari","Bifunctional Mixed-Lanthanide Cyano-Bridged Coordination Polymers Ln0.5Ln'0.5(H2O)5[W(CN)8] (Ln/Ln' = Eu3+/Tb3+, Eu3+/Gd3+, Tb3+/Sm3+)","Inorganic Chemistry","2012","51","","9005","9016","10.1021/ic301144j","","","0.71073","MoKα","","0.0139","0.0138","","","0.0326","0.0326","","","","","","1.255","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330081","10.9522","0.0001","10.9522","0.0001","7.1363","0.0001","90","","90","","90","","856.004","0.016","173","2","173","","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- C16 H20 Eu Gd N16 O10 W2 -","- C16 Eu Gd N16 O10 W2 -","- C16 Eu Gd N16 O10 W2 -","1","0.0625","","Elena Chelebaeva; Jérôme Long; Joulia Larionova; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; José B. R. Gomes; Alexander Trifonov; Christian Guérin; Yannick Guari","Bifunctional Mixed-Lanthanide Cyano-Bridged Coordination Polymers Ln0.5Ln'0.5(H2O)5[W(CN)8] (Ln/Ln' = Eu3+/Tb3+, Eu3+/Gd3+, Tb3+/Sm3+)","Inorganic Chemistry","2012","51","","9005","9016","10.1021/ic301144j","","","0.7107","MoKα","","0.0169","0.0144","","","0.033","0.0333","","","","","","1.199","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330082","10.9202","0.0001","10.9202","0.0001","7.1697","0.0001","90","","90","","90","","854.992","0.016","173","2","173","","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- C16 H20 N16 O10 Sm Tb W2 -","- C16 N16 O10 Sm Tb W2 -","- C16 N16 O10 Sm Tb W2 -","1","0.0625","","Elena Chelebaeva; Jérôme Long; Joulia Larionova; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; José B. R. Gomes; Alexander Trifonov; Christian Guérin; Yannick Guari","Bifunctional Mixed-Lanthanide Cyano-Bridged Coordination Polymers Ln0.5Ln'0.5(H2O)5[W(CN)8] (Ln/Ln' = Eu3+/Tb3+, Eu3+/Gd3+, Tb3+/Sm3+)","Inorganic Chemistry","2012","51","","9005","9016","10.1021/ic301144j","","","0.7107","MoKα","","0.0155","0.0129","","","0.0292","0.0295","","","","","","1.145","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330083","5.198","0.003","7.395","0.004","16.884","0.009","79.465","0.015","88.331","0.016","78.326","0.015","624.8","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C26 H30 N6 O4 -","2","1","","Rajnish Kumar; Tapas Guchhait; Ganesan Mani","Synthesis and X-ray Structures of Novel Macrocycles and Macrobicycles Containing N,N-Di(pyrrolylmethyl)-N-methylamine Moiety: Preliminary Anion Binding Study","Inorganic Chemistry","2012","51","","9029","9038","10.1021/ic3011822","","","0.71073","MoKα","","0.0878","0.0457","","","0.0948","0.1213","","","","","","1.075","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330084","17.504","0.002","7.8687","0.001","25.007","0.003","90","","90","","90","","3444.3","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H54 N10 O2 -","- C32 H54 N10 O2 -","- C128 H216 N40 O8 -","4","0.5","","Rajnish Kumar; Tapas Guchhait; Ganesan Mani","Synthesis and X-ray Structures of Novel Macrocycles and Macrobicycles Containing N,N-Di(pyrrolylmethyl)-N-methylamine Moiety: Preliminary Anion Binding Study","Inorganic Chemistry","2012","51","","9029","9038","10.1021/ic3011822","","","0.71073","MoKα","","0.176","0.0782","","","0.1943","0.2726","","","","","","1.073","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330085","5.2425","0.0012","11.614","0.003","15.391","0.004","105.366","0.008","97.274","0.008","101.051","0.008","871.1","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N10 O2 -","- C38 H42 N10 O2 -","- C38 H42 N10 O2 -","1","0.5","","Rajnish Kumar; Tapas Guchhait; Ganesan Mani","Synthesis and X-ray Structures of Novel Macrocycles and Macrobicycles Containing N,N-Di(pyrrolylmethyl)-N-methylamine Moiety: Preliminary Anion Binding Study","Inorganic Chemistry","2012","51","","9029","9038","10.1021/ic3011822","","","0.71073","MoKα","","0.1336","0.0562","","","0.1098","0.1397","","","","","","0.975","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330086","9.482","0.006","10.882","0.007","11.463","0.007","90.55","0.02","92.84","0.02","113.245","0.019","1084.9","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 N10 O4 -","- C44 H58 N10 O4 -","- C44 H58 N10 O4 -","1","0.5","","Rajnish Kumar; Tapas Guchhait; Ganesan Mani","Synthesis and X-ray Structures of Novel Macrocycles and Macrobicycles Containing N,N-Di(pyrrolylmethyl)-N-methylamine Moiety: Preliminary Anion Binding Study","Inorganic Chemistry","2012","51","","9029","9038","10.1021/ic3011822","","","0.71073","MoKα","","0.1575","0.0685","","","0.1371","0.1776","","","","","","1.015","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330087","34.044","0.003","11.7179","0.0012","34.807","0.005","90","","117.956","0.003","90","","12265","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H80.32 N17 O5.16 -","- C51 H75 N17 O3 -","- C408 H600 N136 O24 -","8","1","","Rajnish Kumar; Tapas Guchhait; Ganesan Mani","Synthesis and X-ray Structures of Novel Macrocycles and Macrobicycles Containing N,N-Di(pyrrolylmethyl)-N-methylamine Moiety: Preliminary Anion Binding Study","Inorganic Chemistry","2012","51","","9029","9038","10.1021/ic3011822","","","0.71073","MoKα","","0.1068","0.0769","","","0.2508","0.2746","","","","","","1.082","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330088","7.914","0.002","13.354","0.003","11.792","0.003","90","","103.46","0.03","90","","1212","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 O14 S2 U2 -","- C12 H24 O14 S2 U2 -","- C24 H48 O28 S4 U4 -","2","0.5","","Plinio Di Bernardo; Pier Luigi Zanonato; Franco Benetollo; Andrea Melchior; Marilena Tolazzi; Linfeng Rao","Energetics and Structure of Uranium(VI)-Acetate Complexes in Dimethyl Sulfoxide","Inorganic Chemistry","2012","51","","9045","9055","10.1021/ic301190d","","","0.71073","MoKα","","0.0478","0.0413","","","0.1035","0.1081","","","","","","1.328","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330089","24.399","0.0017","22.2855","0.0013","11.2692","0.0009","90","","90","","90","","6127.6","0.7","92","2","92","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51.4 H70 B4 Fe2 N14 O1.6 -","- C51.4 H70 B4 Fe2 N14 O1.6 -","- C205.6 H280 B16 Fe8 N56 O6.4 -","4","0.5","","Worku A. Gobeze; Victoria A. Milway; Juan Olguín; Guy N. L. Jameson; Sally Brooker","Nine Diiron(II) Complexes of Three Bis-tetradentate Pyrimidine Based Ligands with NCE (E = S, Se, BH3) Coligands","Inorganic Chemistry","2012","51","","9056","9065","10.1021/ic3012052","","","0.71073","MoKα","","0.1061","0.0765","","","0.2107","0.2288","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330090","11.154","0.004","19.963","0.005","18.506","0.004","90","","99.121","0.013","90","","4069","2","92","2","92","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe2 N12 S4 -","- C40 H34 Fe2 N12 S4 -","- C160 H136 Fe8 N48 S16 -","4","1","","Worku A. Gobeze; Victoria A. Milway; Juan Olguín; Guy N. L. Jameson; Sally Brooker","Nine Diiron(II) Complexes of Three Bis-tetradentate Pyrimidine Based Ligands with NCE (E = S, Se, BH3) Coligands","Inorganic Chemistry","2012","51","","9056","9065","10.1021/ic3012052","","","0.71073","MoKα","","0.1424","0.0988","","","0.1824","0.1988","","","","","","1.132","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330091","11.238","0.0006","20.3994","0.0009","18.6755","0.001","90","","100.177","0.003","90","","4214","0.4","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe2 N12 Se4 -","- C40 H34 Fe2 N12 Se4 -","- C160 H136 Fe8 N48 Se16 -","4","1","","Worku A. Gobeze; Victoria A. Milway; Juan Olguín; Guy N. L. Jameson; Sally Brooker","Nine Diiron(II) Complexes of Three Bis-tetradentate Pyrimidine Based Ligands with NCE (E = S, Se, BH3) Coligands","Inorganic Chemistry","2012","51","","9056","9065","10.1021/ic3012052","","","0.71073","MoKα","","0.105","0.0535","","","0.1162","0.1362","","","","","","1.02","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330092","11.188","0.0012","20.594","0.003","18.683","0.002","90","","99.41","0.007","90","","4246.7","0.9","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 B4 Fe2 N12 -","- C40 H46 B4 Fe2 N12 -","- C160 H184 B16 Fe8 N48 -","4","1","","Worku A. Gobeze; Victoria A. Milway; Juan Olguín; Guy N. L. Jameson; Sally Brooker","Nine Diiron(II) Complexes of Three Bis-tetradentate Pyrimidine Based Ligands with NCE (E = S, Se, BH3) Coligands","Inorganic Chemistry","2012","51","","9056","9065","10.1021/ic3012052","","","0.71073","MoKα","","0.1612","0.0718","","","0.1633","0.2022","","","","","","1.018","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330093","9.3377","0.0005","24.7012","0.0013","19.934","0.001","90","","97.353","0.003","90","","4560","0.4","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.7 H40.8 Fe2 N12 O0.7 Se4 -","- C42.7 H40.8 Fe2 N12 O0.7 Se4 -","- C170.8 H163.2 Fe8 N48 O2.8 Se16 -","4","1","","Worku A. Gobeze; Victoria A. Milway; Juan Olguín; Guy N. L. Jameson; Sally Brooker","Nine Diiron(II) Complexes of Three Bis-tetradentate Pyrimidine Based Ligands with NCE (E = S, Se, BH3) Coligands","Inorganic Chemistry","2012","51","","9056","9065","10.1021/ic3012052","","","0.71073","MoKα","","0.1405","0.061","","","0.1401","0.1746","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330094","15.884","0.002","22.297","0.003","9.8714","0.0013","90","","90","","90","","3496.1","0.8","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","04349","","","- C28 H58 Co K O6.5 P2 -","- C28 H58 Co K O6.5 P2 -","- C112 H232 Co4 K4 O26 P8 -","4","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0657","0.0429","","","0.0926","0.1037","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330095","12.5111","0.0012","28.183","0.003","14.0234","0.0013","90","","105.816","0.002","90","","4757.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","01168","","","- C51 H61 Co K O8 -","- C51 H61 Co K O8 -","- C204 H244 Co4 K4 O32 -","4","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0531","0.032","","","0.0725","0.078","","","","","","1.014","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330096","20.17","0.002","16.421","0.002","13.2241","0.0015","90","","120.527","0.002","90","","3772.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","99325","","","- C44 H52 Co K O4 -","- C44 H52 Co K O4 -","- C176 H208 Co4 K4 O16 -","4","0.5","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0561","0.0476","","","0.1343","0.141","","","","","","1.038","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330097","11.1122","0.0009","13.544","0.0011","15.2768","0.0013","90","","94.778","0.002","90","","2291.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","05319","","","- C20 H36 Co K O6 -","- C20 H36 Co K O6 -","- C80 H144 Co4 K4 O24 -","4","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0581","0.0357","","","0.0732","0.0816","","","","","","1.049","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330098","12.6253","0.001","8.507","0.0007","10.849","0.0009","90","","90","","90","","1165.22","0.16","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","05247","","","- Co F12 K P4 -","- Co F12 K P4 -","- Co4 F48 K4 P16 -","4","0.5","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0268","0.0242","","","0.0543","0.0555","","","","","","1.088","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330099","10.6444","0.0009","20.543","0.002","21.227","0.002","90","","98.218","0.002","90","","4594","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","01152","","","- C30 H72 Co K N2 O18 P4 -","- C30 H72 Co K N2 O18 P4 -","- C120 H288 Co4 K4 N8 O72 P16 -","4","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0497","0.0368","","","0.0939","0.0991","","","","","","0.978","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330100","24.272","0.0017","17.8466","0.0012","17.2666","0.0012","90","","90.545","0.001","90","","7479.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","04253","","","- C56 H124 Co K O20 P4 -","- C55.996 H123.992 Co K O19.999 P4 -","- C223.984 H495.968 Co4 K4 O79.996 P16 -","4","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.092","0.0493","","","0.1133","0.1375","","","","","","1.023","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330101","12.1042","0.001","13.158","0.0011","14.4109","0.0013","108.664","0.002","107.142","0.002","106.915","0.002","1880.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","04060","","","- C40 H58 Co K N2 O6 -","- C40 H58 Co K N2 O6 -","- C80 H116 Co2 K2 N4 O12 -","2","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0514","0.0355","","","0.0857","0.0955","","","","","","1.022","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330102","17.889","0.002","11.8653","0.0013","16.562","0.002","90","","90","","90","","3515.4","0.7","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","04051","","","- C34 H60 Co K N2 O6 -","- C34 H60 Co K N2 O6 -","- C136 H240 Co4 K4 N8 O24 -","4","0.5","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0635","0.0424","","","0.0752","0.0815","","","","","","1.024","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330103","10.04","0.002","10.195","0.002","30.618","0.005","82.405","0.003","88.299","0.003","68.125","0.003","2882.2","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","04347","","","- C30 H44 Co K O6 -","- C30 H44 Co K O6 -","- C120 H176 Co4 K4 O24 -","4","2","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0709","0.0491","","","0.1201","0.1301","","","","","","1.033","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330104","9.7377","0.0008","10.0468","0.0008","22.625","0.002","85.758","0.001","79.304","0.001","87.193","0.001","2167.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","05155","","","- C42.5 H66.5 Co K1.5 O10 -","- C42.5 H66.5 Co K1.5 O10 -","- C85 H133 Co2 K3 O20 -","2","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0557","0.0369","","","0.0815","0.0887","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330105","8.6632","0.0007","10.9612","0.0009","14.9236","0.0012","90.952","0.001","93.574","0.001","112.826","0.001","1302.33","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","05320","","","- C24 H42 Co K O6 -","- C24 H42 Co K O6 -","- C48 H84 Co2 K2 O12 -","2","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0537","0.0401","","","0.0932","0.1016","","","","","","1.052","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330106","8.764","0.001","11.2048","0.0013","15.863","0.002","81.571","0.002","79.646","0.002","67.214","0.002","1407.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","04313","","","- C26 H46 Co K O6 -","- C26 H46 Co K O6 -","- C52 H92 Co2 K2 O12 -","2","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.062","0.0398","","","0.0936","0.1024","","","","","","1.028","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330107","9.776","0.001","19.69","0.002","16.0969","0.0016","90","","99.094","0.002","90","","3059.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","05346","","","- C30 H44 Co K N2 O6 -","- C30 H44 Co K N2 O6 -","- C120 H176 Co4 K4 N8 O24 -","4","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0734","0.0473","","","0.0805","0.0873","","","","","","1.034","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330108","18.5263","0.0014","25.4164","0.0019","11.4747","0.0008","90","","90","","90","","5403.1","0.7","223","2","223","2","","","","","","","","6","P n n m","-P 2 2n","58","05150","","","- C44 H84 Co K N4 O9 -","- C40 H76 Co K N4 O8 -","- C160 H304 Co4 K4 N16 O32 -","4","0.5","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0637","0.0542","","","0.146","0.1523","","","","","","1.07","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330109","27.534","0.003","9.7976","0.0009","49.465","0.005","90","","96.106","0.002","90","","13268","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","04172","","","- C67 H93 Co K2 O14.5 -","- C67 H93 Co K2 O14.5 -","- C536 H744 Co8 K16 O116 -","8","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.1284","0.0635","","","0.1532","0.1814","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330110","12.4181","0.0009","12.55","0.001","14.42","0.001","66.162","0.001","77.387","0.001","61.227","0.001","1801","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","05267","","","- C36 H54 Co K N2 O6 -","- C36 H54 Co K N2 O6 -","- C72 H108 Co2 K2 N4 O12 -","2","1","","William W. Brennessel; John E. Ellis","Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion","Inorganic Chemistry","2012","51","","9076","9094","10.1021/ic301240u","","","0.71073","MoKα","","0.0623","0.0403","","","0.1025","0.1154","","","","","","1.039","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330111","10.532","0.0012","22.212","0.003","12.7322","0.0014","90","","94.212","0.002","90","","2970.5","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H76 Dy N5 O9 -","- C59 H76 Dy N5 O9 -","- C118 H152 Dy2 N10 O18 -","2","1","","Jian Liu; Xiao-Peng Zhang; Tao Wu; Bin-Bin Ma; Tian-Wei Wang; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Solvent-Induced Single-Crystal-to-Single-Crystal Transformation in Multifunctional Chiral Dysprosium(III) Compounds","Inorganic Chemistry","2012","51","","8649","8651","10.1021/ic3012475","","","0.71073","MoKα","","0.0677","0.0582","","","0.1242","0.1271","","","","","","1.076","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330112","10.7","0.002","25.095","0.007","21.565","0.005","90","","90","","90","","5791","2","373","2","373","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C116 H142 Dy2 N10 O15 -","- C116 H142 Dy2 N10 O15 -","- C232 H284 Dy4 N20 O30 -","2","0.25","","Jian Liu; Xiao-Peng Zhang; Tao Wu; Bin-Bin Ma; Tian-Wei Wang; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Solvent-Induced Single-Crystal-to-Single-Crystal Transformation in Multifunctional Chiral Dysprosium(III) Compounds","Inorganic Chemistry","2012","51","","8649","8651","10.1021/ic3012475","","","0.71073","MoKα","","0.0778","0.0643","","","0.147","0.1502","","","","","","1.078","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330113","10.644","0.005","24.485","0.011","21.436","0.009","90","","90","","90","","5587","4","291","2","291","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C116 H136 Dy2 N10 O15 -","- C116 H136 Dy2 N10 O15 -","- C232 H272 Dy4 N20 O30 -","2","0.25","","Jian Liu; Xiao-Peng Zhang; Tao Wu; Bin-Bin Ma; Tian-Wei Wang; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Solvent-Induced Single-Crystal-to-Single-Crystal Transformation in Multifunctional Chiral Dysprosium(III) Compounds","Inorganic Chemistry","2012","51","","8649","8651","10.1021/ic3012475","","","0.71073","MoKα","","0.0565","0.0476","","","0.1209","0.1269","","","","","","1.033","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330114","10.5293","0.0013","22.104","0.003","12.761","0.0016","90","","94.213","0.002","90","","2962","0.7","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H76 Dy N5 O9 -","- C59 H76 Dy N5 O9 -","- C118 H152 Dy2 N10 O18 -","2","1","","Jian Liu; Xiao-Peng Zhang; Tao Wu; Bin-Bin Ma; Tian-Wei Wang; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Solvent-Induced Single-Crystal-to-Single-Crystal Transformation in Multifunctional Chiral Dysprosium(III) Compounds","Inorganic Chemistry","2012","51","","8649","8651","10.1021/ic3012475","","","0.71073","MoKα","","0.0635","0.0549","","","0.1072","0.1088","","","","","","1.091","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330115","24.936","0.004","24.936","0.004","40.088","0.008","90","","90","","120","","21587","7","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C84 H120 Cl6 Cu3 N12 O3 S3 -","- C69 H96 Cu3 N6 O3 S3 -","- C552 H768 Cu24 N48 O24 S24 -","8","1.33333","","Bastian Feldscher; Hubert Theil; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Bioinspired Enhancement of Superexchange: From 1,3,5-Trihydroxybenzene-Bridged to 1,3,5-Trimercaptobenzene-Bridged Trinuclear Copper(II) Complexes","Inorganic Chemistry","2012","51","","8652","8654","10.1021/ic301312v","","","1.54178","CuKα","","0.0377","0.036","","","0.0942","0.0951","","","","","","1.034","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330116","12.0329","0.0006","18.9371","0.001","5.8595","0.0003","90","","90","","90","","1335.19","0.12","296","2","296","2","","","","","","","","3","C c c 2","C 2 -2c","37","","","","- O7.5 S Sb3 -","- O7.5 S Sb3 -","- O60 S8 Sb24 -","8","1","","Honghan Fei; Cari S. Han; Scott R. J. Oliver","A Cationic Antimonite Chain Templated by Sulfate: [Sb6O74+][(SO42-)2]","Inorganic Chemistry","2012","51","","8655","8657","10.1021/ic3013409","","","0.71073","MoKα","","0.0116","0.0115","","","0.0278","0.0278","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330117","8.4626","0.001","19.083","0.002","10.7638","0.0013","90","","107.14","0.001","90","","1661.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Me2NN]CuSCPh3","","","- C40 H40 Cu N2 S -","- C40 H40 Cu N2 S -","- C80 H80 Cu2 N4 S2 -","2","1","","Marie M. Melzer; Susanne Mossin; Allan Jay P. Cardenas; Kamille D. Williams; Shiyu Zhang; Karsten Meyer; Timothy H. Warren","A Copper(II) Thiolate from Reductive Cleavage of an S-Nitrosothiol","Inorganic Chemistry","2012","51","","8658","8660","10.1021/ic301356h","","","0.71073","MoKα","","0.0329","0.0296","","","0.0647","0.0659","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330118","14.826","0.002","16.682","0.003","15.328","0.002","90","","99.564","0.002","90","","3738.3","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Me2NN]Cu(NOMe2NN)","","","- C42 H49 Cu N5 O -","- C42 H49 Cu N5 O -","- C168 H196 Cu4 N20 O4 -","4","1","","Marie M. Melzer; Susanne Mossin; Allan Jay P. Cardenas; Kamille D. Williams; Shiyu Zhang; Karsten Meyer; Timothy H. Warren","A Copper(II) Thiolate from Reductive Cleavage of an S-Nitrosothiol","Inorganic Chemistry","2012","51","","8658","8660","10.1021/ic301356h","","","0.71073","MoKα","","0.1128","0.0557","","","0.1142","0.1361","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330119","8.284","0.0012","15.01","0.002","19.406","0.003","90","","90","","90","","2413","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Me2NN]CuOtBu","","","- C25 H34 Cu N2 O -","- C25 H34 Cu N2 O -","- C100 H136 Cu4 N8 O4 -","4","1","","Marie M. Melzer; Susanne Mossin; Allan Jay P. Cardenas; Kamille D. Williams; Shiyu Zhang; Karsten Meyer; Timothy H. Warren","A Copper(II) Thiolate from Reductive Cleavage of an S-Nitrosothiol","Inorganic Chemistry","2012","51","","8658","8660","10.1021/ic301356h","","","0.71073","MoKα","","0.0413","0.0319","","","0.0719","0.0751","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330120","13.4283","0.001","8.6253","0.0007","25.8383","0.0019","90","","93.598","0.001","90","","2986.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CuSCPh3]4","","","- C76 H60 Cu4 S4 -","- C76 H60 Cu4 S4 -","- C152 H120 Cu8 S8 -","2","0.5","","Marie M. Melzer; Susanne Mossin; Allan Jay P. Cardenas; Kamille D. Williams; Shiyu Zhang; Karsten Meyer; Timothy H. Warren","A Copper(II) Thiolate from Reductive Cleavage of an S-Nitrosothiol","Inorganic Chemistry","2012","51","","8658","8660","10.1021/ic301356h","","","0.71073","MoKα","","0.0551","0.037","","","0.0976","0.104","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330121","20.8027","0.0008","20.8027","0.0008","58.306","0.004","90","","90","","120","","21851.6","1.9","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C60 H68 N9 Na3 O31 Tb3 -","- C60 H59.001 N9 Na3 O31 Tb3 -","- C720 H708.012 N108 Na36 O372 Tb36 -","12","0.333333","","William J. Gee; Jonathan G. MacLellan; Craig M. Forsyth; Boujemaa Moubaraki; Keith S. Murray; Philip C. Andrews; Peter C. Junk","Caging Peroxide: Anion-Templated Synthesis and Characterization of a Rare-Earth Cluster","Inorganic Chemistry","2012","51","","8661","8663","10.1021/ic301382r","","","0.71073","MoKα","","0.0713","0.0564","","","0.1104","0.1167","","","","","","1.152","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330122","16.342","0.003","14.011","0.003","26.379","0.005","90","","90","","90","","6040","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H42 N2 O15 Zn2 -","- C25 H42 N2 O15 Zn2 -","- C200 H336 N16 O120 Zn16 -","8","1","","Vadapalli Chandrasekhar; Sourav Das; Rajeev Yadav; Sakiat Hossain; Rashmi Parihar; Ganesh Subramaniam; Pratik Sen","Novel Chemosensor for the Visual Detection of Copper(II) in Aqueous Solution at the ppm Level","Inorganic Chemistry","2012","51","","8664","8666","10.1021/ic301399a","","","0.71073","MoKα","","0.0689","0.0523","","","0.1305","0.1446","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330123","15.3979","0.0012","13.4522","0.001","21.3183","0.0017","90","","109.02","0.002","90","","4174.7","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H115 Cl2 Cr2 N4 O4 -","- C84 H112 Cl2 Cr2 N4 O4 -","- C168 H224 Cl4 Cr4 N8 O8 -","2","0.5","","Rebecca K. Dean; Louise N. Dawe; Christopher M. Kozak","Copolymerization of Cyclohexene Oxide and CO2 with a Chromium Diamine-bis(phenolate) Catalyst","Inorganic Chemistry","2012","51","","9095","9103","10.1021/ic301402z","","","0.71075","MoKα","","0.0847","0.064","","","0.1548","0.1668","","","","","","1.077","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330124","24.6619","0.0011","10.9942","0.0004","21.8157","0.0009","90","","90.494","0.004","90","","5914.8","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C200 H352 Mn4 N32 O8 P8 Si8 -","- C200 H352 Mn4 N32 O8 P8 Si8 -","- C200 H352 Mn4 N32 O8 P8 Si8 -","1","0.125","","Daniel N. Woodruff; Eric J. L. McInnes; Daniel O. Sells; Richard E. P. Winpenny; Richard A. Layfield","Synthesis, Structure, and Paramagnetism of Manganese(II) Iminophosphate Complexes","Inorganic Chemistry","2012","51","","9104","9109","10.1021/ic3014046","","","0.71073","MoKα","","0.0904","0.0669","","","0.1679","0.1747","","","","","","1.033","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330125","10.4186","0.0012","10.8372","0.0012","10.9199","0.0012","91.861","0.009","98.026","0.009","115.271","0.011","1098.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H35 Mn N4 P Si -","- C17 H37 Mn N4 P Si -","- C34 H74 Mn2 N8 P2 Si2 -","2","1","","Daniel N. Woodruff; Eric J. L. McInnes; Daniel O. Sells; Richard E. P. Winpenny; Richard A. Layfield","Synthesis, Structure, and Paramagnetism of Manganese(II) Iminophosphate Complexes","Inorganic Chemistry","2012","51","","9104","9109","10.1021/ic3014046","","","0.71073","MoKα","","0.1343","0.0548","","","0.1099","0.1365","","","","","","0.777","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330126","11.366","0.002","11.833","0.003","9.4828","0.0013","90","","90","","90","","1275.4","0.4","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C20 H43 Mn N4 P Si -","- C20 H43 Mn N4 P Si -","- C40 H86 Mn2 N8 P2 Si2 -","2","0.25","","Daniel N. Woodruff; Eric J. L. McInnes; Daniel O. Sells; Richard E. P. Winpenny; Richard A. Layfield","Synthesis, Structure, and Paramagnetism of Manganese(II) Iminophosphate Complexes","Inorganic Chemistry","2012","51","","9104","9109","10.1021/ic3014046","","","0.71073","MoKα","","0.0928","0.064","","","0.1561","0.1776","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330127","13.4167","0.0003","15.539","0.0003","52.5389","0.0012","90","","90","","90","","10953.4","0.4","180.1","","180.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C105.45 H103.8 Cl Co4 N16 O21.77 P3 -","- C105.45 H103.8 Cl Co4 N16 O21.77 P3 -","- C421.8 H415.2 Cl4 Co16 N64 O87.08 P12 -","4","1","","Claire Deville; Alexandra Spyratou; Paulina Aguirre-Etcheverry; Céline Besnard; Alan F. Williams","Enantioselective Synthesis of Tetranuclear Quadruple Helicates","Inorganic Chemistry","2012","51","","8667","8669","10.1021/ic3014943","","","1.5418","CuKα","","0.056","0.0499","","","0.1317","0.1354","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330128","13.4175","0.0003","15.4982","0.0006","52.7507","0.0017","90","","90","","90","","10969.4","0.6","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C105 H102 Cl Co4 N16 O22.72 P3 -","- C105 H102 Cl Co4 N16 O22.715 P3 -","- C420 H408 Cl4 Co16 N64 O90.86 P12 -","4","1","","Claire Deville; Alexandra Spyratou; Paulina Aguirre-Etcheverry; Céline Besnard; Alan F. Williams","Enantioselective Synthesis of Tetranuclear Quadruple Helicates","Inorganic Chemistry","2012","51","","8667","8669","10.1021/ic3014943","","","1.5418","CuKα","","0.0804","0.0634","","","0.1628","0.1749","","","","","","1.071","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330129","16.5412","0.0005","19.2351","0.0005","19.8514","0.0005","97.666","0.002","91.277","0.002","108.58","0.003","5919.3","0.3","159.6","","159.6","","","","","","","","","6","P -1","-P 1","2","","","","- C119.35 H121.4 Co4 N16 O19.85 P4 -","- C119.347 H121.388 Co4 N16 O19.847 P4 -","- C238.694 H242.776 Co8 N32 O39.694 P8 -","2","1","","Claire Deville; Alexandra Spyratou; Paulina Aguirre-Etcheverry; Céline Besnard; Alan F. Williams","Enantioselective Synthesis of Tetranuclear Quadruple Helicates","Inorganic Chemistry","2012","51","","8667","8669","10.1021/ic3014943","","","1.5418","CuKα","","0.0731","0.0667","","","0.1931","0.202","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330130","10.72917","0.00011","25.2968","0.0003","17.3108","0.0002","90","","94.5232","0.001","90","","4683.75","0.09","179.9","","179.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C83.68 H96.93 Co4 N16 O17.29 -","- C83.672 H96.902 Co4 N16 O17.514 -","- C167.344 H193.804 Co8 N32 O35.028 -","2","1","","Claire Deville; Alexandra Spyratou; Paulina Aguirre-Etcheverry; Céline Besnard; Alan F. Williams","Enantioselective Synthesis of Tetranuclear Quadruple Helicates","Inorganic Chemistry","2012","51","","8667","8669","10.1021/ic3014943","","","1.5418","CuKα","","0.0569","0.0544","","","0.1442","0.147","","","","","","1.028","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330131","17.014","0.002","22.785","0.003","20.89","0.003","90","","101.305","0.0018","90","","7941.2","1.8","103.1","","103.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C98 H60 Cl8 Mn N8 -","- C98 H60 Cl8 Mn N8 -","- C392 H240 Cl32 Mn4 N32 -","4","1","","Ryuta Ishikawa; Keiichi Katoh; Brian K. Breedlove; Masahiro Yamashita","MnIII(tetra-biphenyl-porphyrin)-TCNE Single-Chain Magnet via Suppression of the Interchain Interactions","Inorganic Chemistry","2012","51","","9123","9131","10.1021/ic3015223","","","0.71075","MoKα","","","0.0669","","","","0.187","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330132","17.059","0.006","18.361","0.006","17.555","0.006","90","","92.198","0.004","90","","5495","3","93","1","93","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H46.5 Cl4 Mn N4 O0.75 -","- C69 H44 Cl4 Mn N4 O0.75 -","- C276 H176 Cl16 Mn4 N16 O3 -","4","1","","Ryuta Ishikawa; Keiichi Katoh; Brian K. Breedlove; Masahiro Yamashita","MnIII(tetra-biphenyl-porphyrin)-TCNE Single-Chain Magnet via Suppression of the Interchain Interactions","Inorganic Chemistry","2012","51","","9123","9131","10.1021/ic3015223","","","0.7107","MoKα","","","0.0885","","","","0.2711","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330133","14.703","0.0018","15.064","0.0019","15.283","0.0019","90.924","0.0018","97.955","0.0018","100.375","0.0018","3294.7","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H108 Au6 N2 O20 P6 Rh10 -","- C138 H108 Au6 N2 O20 P6 Rh10 -","- C138 H108 Au6 N2 O20 P6 Rh10 -","1","0.5","","Laura Cherchi; Alessandro Fumagalli; Serena Fedi; Piero Zanello; Fabrizia Fabrizi De Biani; Franco Laschi; Luigi Garlaschelli; Piero Macchi; Angelo Sironi","Synthesis, Reactivity, Electrochemical Behavior, and Crystal Structure of a Family of Multivalent Metal Carbido-Carbonyl Clusters Based on the Rh10(C)2Au4-6Framework","Inorganic Chemistry","2012","51","","9171","9180","10.1021/ic201613j","","","0.71073","MoKα","","0.0346","0.0253","","","0.0721","0.0818","","","","","","1.05","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330134","15.675","0.003","27.297","0.005","17.166","0.003","90","","113.049","0.002","90","","6759","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C132 H148 Au4 N2 O20 P4 Rh10 -","- C132 H148 Au4 N2 O20 P4 Rh10 -","- C264 H296 Au8 N4 O40 P8 Rh20 -","2","0.5","","Laura Cherchi; Alessandro Fumagalli; Serena Fedi; Piero Zanello; Fabrizia Fabrizi De Biani; Franco Laschi; Luigi Garlaschelli; Piero Macchi; Angelo Sironi","Synthesis, Reactivity, Electrochemical Behavior, and Crystal Structure of a Family of Multivalent Metal Carbido-Carbonyl Clusters Based on the Rh10(C)2Au4-6Framework","Inorganic Chemistry","2012","51","","9171","9180","10.1021/ic201613j","","","0.71069","MoKα","","0.0679","0.036","","","0.0588","0.0674","","","","","","1.012","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330135","14.862","0.007","17.39","0.009","24.298","0.012","88.542","0.008","87.651","0.008","84.051","0.008","6239","5","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C117 H95 Au5 N O19 P5 Rh10 -","- C114 H87 Au5 N O18 P5 Rh10 -","- C228 H174 Au10 N2 O36 P10 Rh20 -","2","1","","Laura Cherchi; Alessandro Fumagalli; Serena Fedi; Piero Zanello; Fabrizia Fabrizi De Biani; Franco Laschi; Luigi Garlaschelli; Piero Macchi; Angelo Sironi","Synthesis, Reactivity, Electrochemical Behavior, and Crystal Structure of a Family of Multivalent Metal Carbido-Carbonyl Clusters Based on the Rh10(C)2Au4-6Framework","Inorganic Chemistry","2012","51","","9171","9180","10.1021/ic201613j","","x-ray","0.71073","MoKα","","0.16","0.1034","","","0.2444","0.2678","","","","","","1.104","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330136","3.8442","0.0003","3.8492","0.0003","35.811","0.003","90","","88.809","0.006","90","","529.78","0.07","25","","","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","PrSr3Co1.5Fe1.5O8(OH)2.2H2O","","- Co3 Fe3 H12 O24 Pr2 Sr6 -","- Co3 Fe3 O24 Pr2 Sr6 -","- Co3 Fe3 O24 Pr2 Sr6 -","1","0.125","","Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg","Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem","Inorganic Chemistry","2012","51","","9181","9191","10.1021/ic300001s","powder diffraction","","0.70417","synchrotron","","","","","","","","","13.8003","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330137","3.8832","0.0005","3.8832","0.0005","3.8832","0.0005","90","","90","","90","","58.556","0.013","343.15","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Pr0.25Sr0.75Co0.5Fe0.5O3-d","","- Co0.5 Fe0.5 O3 Pr0.25 Sr0.75 -","- Co0.49968 Fe0.50016 O3 Pr0.25008 Sr0.75024 -","- Co0.49968 Fe0.50016 O3 Pr0.25008 Sr0.75024 -","1","0.0208333","","Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg","Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem","Inorganic Chemistry","2012","51","","9181","9191","10.1021/ic300001s","powder diffraction","","0.70417","synchrotron","","","","","","","","","5.8711","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330138","3.874","0.005","3.875","0.005","16.1953","0.0015","90","","90","","90","","243.1","0.4","343.15","","","","","","","","","","","6","P m m m","-P 2 2","47","","PrSr3Co1.5Fe1.5O8(OH)2","","- Co1.5 Fe1.5 H2 O10 Pr Sr3 -","- Co1.5 Fe1.5 O10 Pr Sr3 -","- Co1.5 Fe1.5 O10 Pr Sr3 -","1","0.125","","Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg","Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem","Inorganic Chemistry","2012","51","","9181","9191","10.1021/ic300001s","powder diffraction","","0.70417","synchrotron","","","","","","","","","9.1181","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330139","3.8809","0.0005","3.8809","0.0005","3.8809","0.0005","90","","90","","90","","58.452","0.013","673.15","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Pr0.25Sr0.75Co0.5Fe0.5O3-d","","- Co0.5 Fe0.5 O3 Pr0.25 Sr0.75 -","- Co0.57159 Fe0.57104 O3 Pr0.28579 Sr0.85738 -","- Co0.57159 Fe0.57104 O3 Pr0.28579 Sr0.85738 -","1","0.0208333","","Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg","Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem","Inorganic Chemistry","2012","51","","9181","9191","10.1021/ic300001s","powder diffraction","","0.70417","synchrotron","","","","","","","","","6.0934","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330140","3.86137","0.0002","3.86137","0.0002","28.262","0.002","90","","90","","90","","421.39","0.04","673.15","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","PrSr3Co1.5Fe1.5O9-x(OH)x","","- Co3 Fe3 O18 Pr2 Sr6 -","- Co3 Fe3 O15.44 Pr2 Sr6 -","- Co3 Fe3 O15.44 Pr2 Sr6 -","1","0.03125","","Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg","Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem","Inorganic Chemistry","2012","51","","9181","9191","10.1021/ic300001s","powder diffraction","","0.70417","synchrotron","","","","","","","","","8.2895","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330141","3.86","0.004","3.867","0.004","15.85","","90","","90","","90","","236.6","0.3","673.15","","","","","","","","","","","6","P m m m","-P 2 2","47","","PrSr3Co1.5Fe1.5O8(OH)2","","- Co1.5 Fe1.5 H2 O10 Pr Sr3 -","- Co1.5 Fe1.5 O8.4068 Pr Sr3 -","- Co1.5 Fe1.5 O8.4068 Pr Sr3 -","1","0.125","","Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg","Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem","Inorganic Chemistry","2012","51","","9181","9191","10.1021/ic300001s","powder diffraction","","0.70417","synchrotron","","","","","","","","","27.8692","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330142","11.3351","0.0009","20.1302","0.0016","22.513","0.0016","90","","94.978","0.002","90","","5117.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","K9[V16O38(CN)].13(H2O)","K9[V16O38(CN)].13(H2O)","","- C K9 N O51 V16 -","- C K9 N O51 V16 -","- C4 K36 N4 O204 V64 -","4","1","","Tony D. Keene; Deanna M. D'Alessandro; Karl W. Krämer; Jason R. Price; David J. Price; Silvio Decurtins; Cameron J. Kepert","[V16O38(CN)]9-: A Soluble Mixed-Valence Redox-Active Building Block with Strong Antiferromagnetic Coupling","Inorganic Chemistry","2012","51","","9192","9199","10.1021/ic3001834","","","0.71073","MoKα","","0.0537","0.0459","","","0.1237","0.1329","","","","","","1.043","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330143","11.795","0.002","13.266","0.003","14.913","0.003","90","","96.768","0.002","90","","2317.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cd N5 O9 -","- C21 H19 Cd N5 O9 -","- C84 H76 Cd4 N20 O36 -","4","1","","Xiaoyan Zhou; Pengxuan Li; Zhaohua Shi; Xiaoliang Tang; Chunyang Chen; Weisheng Liu","A Highly Selective Fluorescent Sensor for Distinguishing Cadmium from Zinc Ions Based on a Quinoline Platform","Inorganic Chemistry","2012","51","","9226","9231","10.1021/ic300661c","","","0.71073","MoKα","","0.0397","0.0247","","","0.0542","0.0659","","","","","","1.06","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330144","8.902","0.008","14.05","0.013","15.132","0.014","90","","98.827","0.009","90","","1870","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 O5 Zn -","- C20 H14 N4 O5 Zn -","- C80 H56 N16 O20 Zn4 -","4","1","","Xiaoyan Zhou; Pengxuan Li; Zhaohua Shi; Xiaoliang Tang; Chunyang Chen; Weisheng Liu","A Highly Selective Fluorescent Sensor for Distinguishing Cadmium from Zinc Ions Based on a Quinoline Platform","Inorganic Chemistry","2012","51","","9226","9231","10.1021/ic300661c","","","0.71073","MoKα","","0.0724","0.0397","","","0.0639","0.0714","","","","","","0.999","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330145","9.57","0.02","13.72","0.02","11.03","0.02","90","","110.28","0.08","90","","1358","4","223","","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H7 Cu N2 O7 -","- C12 H7 Cu N2 O7 -","- C48 H28 Cu4 N8 O28 -","4","1","","Prakash Kanoo; Ryotaro Matsuda; Ryo Kitaura; Susumu Kitagawa; Tapas Kumar Maji","Topological Difference in 2D Layers Steers the Formation of Rigid and Flexible 3D Supramolecular Isomers: Impact on the Adsorption Properties","Inorganic Chemistry","2012","51","","9141","9143","10.1021/ic300695v","","","0.7107","MoKα","","","0.046","","","","0.064","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330146","28.923","0.005","13.373","0.005","9.993","0.005","90","","90","","90","","3865","3","243","2","243","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H17 Cu N3 O7 -","- C17 H17 Cu N3 O7 -","- C136 H136 Cu8 N24 O56 -","8","1","","Prakash Kanoo; Ryotaro Matsuda; Ryo Kitaura; Susumu Kitagawa; Tapas Kumar Maji","Topological Difference in 2D Layers Steers the Formation of Rigid and Flexible 3D Supramolecular Isomers: Impact on the Adsorption Properties","Inorganic Chemistry","2012","51","","9141","9143","10.1021/ic300695v","","","0.71069","MoKα","","0.1209","0.0818","","","0.1859","0.2168","","","","","","1.126","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330147","20.1747","0.0007","22.4687","0.0008","30.2707","0.0011","90","","96.4467","0.0005","90","","13634.9","0.8","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H73 Ge Ir O2 P4 Rh Si -","- C80 H73 Ge Ir O2 P4 Rh Si -","- C640 H584 Ge8 Ir8 O16 P32 Rh8 Si8 -","8","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Mixed Bis(μ-silylene) and (μ-Silylene)/(μ-Germylene) Complexes Involving the Rh/Ir Metal Combination: Nature of the Si...Si Interactions in the Bis(μ-silylene) Species","Inorganic Chemistry","2012","51","","9249","9258","10.1021/ic300720y","","","0.71073","MoKα","","0.034","0.0247","","","0.06","0.0677","","","","","","1.088","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330148","19.0881","0.0004","15.3613","0.0003","21.5716","0.0004","90","","90.644","0.0003","90","","6324.8","0.2","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C71 H62 Cl2 Ge Ir O2 P4 Rh Si -","- C71 H62 Cl2 Ge Ir O2 P4 Rh Si -","- C284 H248 Cl8 Ge4 Ir4 O8 P16 Rh4 Si4 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Mixed Bis(μ-silylene) and (μ-Silylene)/(μ-Germylene) Complexes Involving the Rh/Ir Metal Combination: Nature of the Si...Si Interactions in the Bis(μ-silylene) Species","Inorganic Chemistry","2012","51","","9249","9258","10.1021/ic300720y","","","0.71073","MoKα","","0.0265","0.0205","","","0.0448","0.0471","","","","","","1.026","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330149","20.197","0.0008","23.1105","0.001","29.393","0.0012","90","","96.3869","0.0005","90","","13634.4","1","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H71 Cl Ir O2 P4 Rh Si2 -","- C78 H71 Cl Ir O2 P4 Rh Si2 -","- C624 H568 Cl8 Ir8 O16 P32 Rh8 Si16 -","8","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Mixed Bis(μ-silylene) and (μ-Silylene)/(μ-Germylene) Complexes Involving the Rh/Ir Metal Combination: Nature of the Si...Si Interactions in the Bis(μ-silylene) Species","Inorganic Chemistry","2012","51","","9249","9258","10.1021/ic300720y","","","0.71073","MoKα","","0.0391","0.0299","","","0.0712","0.0763","","","","","","1.041","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330150","19.0572","0.0008","15.3723","0.0006","21.6764","0.0009","90","","91.0874","0.0004","90","","6349","0.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C71 H62 Cl2 Ge1.25 Ir O2 P4 Rh Si0.75 -","- C71 H62 Cl2 Ge1.25 Ir O2 P4 Rh Si0.75 -","- C284 H248 Cl8 Ge5 Ir4 O8 P16 Rh4 Si3 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Mixed Bis(μ-silylene) and (μ-Silylene)/(μ-Germylene) Complexes Involving the Rh/Ir Metal Combination: Nature of the Si...Si Interactions in the Bis(μ-silylene) Species","Inorganic Chemistry","2012","51","","9249","9258","10.1021/ic300720y","","","0.71073","MoKα","","0.0251","0.0222","","","0.0562","0.0574","","","","","","1.049","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330151","20.1338","0.0008","22.468","0.0009","30.3133","0.0012","90","","96.4988","0.0004","90","","13624.6","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H73 Ir O2 P4 Rh Si2 -","- C80 H73 Ir O2 P4 Rh Si2 -","- C640 H584 Ir8 O16 P32 Rh8 Si16 -","8","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Mixed Bis(μ-silylene) and (μ-Silylene)/(μ-Germylene) Complexes Involving the Rh/Ir Metal Combination: Nature of the Si...Si Interactions in the Bis(μ-silylene) Species","Inorganic Chemistry","2012","51","","9249","9258","10.1021/ic300720y","","","0.71073","MoKα","","0.0264","0.0216","","","0.0512","0.053","","","","","","1.039","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330152","19.1085","0.0009","15.2861","0.0007","21.5289","0.001","90","","90.6052","0.0007","90","","6288.1","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H62 Cl2 Ir O2 P4 Rh Si2 -","- C71 H62 Cl2 Ir O2 P4 Rh Si2 -","- C284 H248 Cl8 Ir4 O8 P16 Rh4 Si8 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Mixed Bis(μ-silylene) and (μ-Silylene)/(μ-Germylene) Complexes Involving the Rh/Ir Metal Combination: Nature of the Si...Si Interactions in the Bis(μ-silylene) Species","Inorganic Chemistry","2012","51","","9249","9258","10.1021/ic300720y","","","0.71073","MoKα","","0.0479","0.0312","","","0.0652","0.072","","","","","","1.02","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330153","12.5539","0.001","22.3572","0.0018","22.6809","0.0018","90","","96.464","0.001","90","","6325.4","0.9","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C67 H60 Cl4 F2 Ir O2 P4 Rh Si2 -","- C67 H60 Cl4 F2 Ir O2 P4 Rh Si2 -","- C268 H240 Cl16 F8 Ir4 O8 P16 Rh4 Si8 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Mixed Bis(μ-silylene) and (μ-Silylene)/(μ-Germylene) Complexes Involving the Rh/Ir Metal Combination: Nature of the Si...Si Interactions in the Bis(μ-silylene) Species","Inorganic Chemistry","2012","51","","9249","9258","10.1021/ic300720y","","","0.71073","MoKα","","0.0415","0.0336","","","0.0843","0.0896","","","","","","1.018","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330154","28.0176","0.0007","17.3764","0.0005","36.393","0.0008","90","","99.164","0.002","90","","17491.6","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H82 Cl9 N12 Y -","- C96 H82 Cl9 N12 Y -","- C768 H656 Cl72 N96 Y8 -","8","2","","Wei Cao; Hailong Wang; Xin Wang; Hung Kay Lee; Dennis K. P. Ng; Jianzhuang Jiang","Constructing Sandwich-Type Rare Earth Double-Decker Complexes with N-Confused Porphyrinato and Phthalocyaninato Ligands","Inorganic Chemistry","2012","51","","9265","9272","10.1021/ic300789j","","","1.5418","CuKα","","0.1315","0.0957","","","0.2652","0.2988","","","","","","1.071","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330155","16.4069","0.0002","14.3697","0.0002","33.1063","0.0005","90","","92.776","0.001","90","","7796.06","0.19","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H82 Cl3 Eu N12 O -","- C94 H82 Cl3 Eu N12 O -","- C376 H328 Cl12 Eu4 N48 O4 -","4","1","","Wei Cao; Hailong Wang; Xin Wang; Hung Kay Lee; Dennis K. P. Ng; Jianzhuang Jiang","Constructing Sandwich-Type Rare Earth Double-Decker Complexes with N-Confused Porphyrinato and Phthalocyaninato Ligands","Inorganic Chemistry","2012","51","","9265","9272","10.1021/ic300789j","","","1.54184","CuKα","","0.0971","0.0717","","","0.1835","0.2026","","","","","","1.019","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330156","31.4213","0.0004","17.3207","0.0002","31.5585","0.0004","90","","101.928","0.001","90","","16804.5","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94.5 H79.5 Cl7.5 N12 Y -","- C94.5 H79.5 Cl7.5 N12 Y -","- C756 H636 Cl60 N96 Y8 -","8","1","","Wei Cao; Hailong Wang; Xin Wang; Hung Kay Lee; Dennis K. P. Ng; Jianzhuang Jiang","Constructing Sandwich-Type Rare Earth Double-Decker Complexes with N-Confused Porphyrinato and Phthalocyaninato Ligands","Inorganic Chemistry","2012","51","","9265","9272","10.1021/ic300789j","","","1.54184","CuKα","","0.0742","0.0666","","","0.1782","0.1836","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330157","31.3137","0.0006","17.2088","0.0003","31.6031","0.0007","90","","101.807","0.002","90","","16669.7","0.6","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94.5 H79.5 Cl7.5 Lu N12 -","- C94.5 H79.5 Cl7.5 Lu N12 -","- C756 H636 Cl60 Lu8 N96 -","8","1","","Wei Cao; Hailong Wang; Xin Wang; Hung Kay Lee; Dennis K. P. Ng; Jianzhuang Jiang","Constructing Sandwich-Type Rare Earth Double-Decker Complexes with N-Confused Porphyrinato and Phthalocyaninato Ligands","Inorganic Chemistry","2012","51","","9265","9272","10.1021/ic300789j","","","1.54178","CuKα","","0.0961","0.0627","","","0.1491","0.1634","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330158","8.3121","0.0004","10.9994","0.0006","11.3339","0.0005","118.523","0.003","106.467","0.003","94.777","0.003","843.21","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N2 O13 Ru2 -","- C28 H42 N2 O13 Ru2 -","- C28 H42 N2 O13 Ru2 -","1","0.5","","Sayak Roy; Biprajit Sarkar; Hans-Georg Imrich; Jan Fiedler; Stanislav Záliš; Reyes Jimenez-Aparicio; Francisco A. Urbanos; Shaikh M. Mobin; Goutam Kumar Lahiri; Wolfgang Kaim","Charged, but Found ""Not Guilty"": Innocence of the Suspect Bridging Ligands [RO(O)CNNC(O)OR]2-= L2-in [(acac)2Ru(μ-L)Ru(acac)2]n,n= +,0,-,2-","Inorganic Chemistry","2012","51","","9273","9281","10.1021/ic300809w","","","0.71073","MoKα","","0.0467","0.0374","","","0.0932","0.0999","","","","","","1.093","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330159","9.0129","0.0003","10.0591","0.0004","10.1818","0.0004","85.371","0.001","81.985","0.001","77.67","0.001","891.76","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N3 O12 Pb3 -","- C11 H13 N3 O12 Pb3 -","- C22 H26 N6 O24 Pb6 -","2","1","","C. Gabriel; M. Perikli; C. P. Raptopoulou; A. Terzis; V. Psycharis; C. Mateescu; T. Jakusch; T. Kiss; M. Bertmer; A. Salifoglou","pH-Specific Hydrothermal Assembly of Binary and Ternary Pb(II)-(O,N-Carboxylic Acid) Metal Organic Framework Compounds: Correlation of Aqueous Solution Speciation with Variable Dimensionality Solid-State Lattice Architecture and Spectroscopic Signatures","Inorganic Chemistry","2012","51","","9282","9296","10.1021/ic300850g","","","0.71073","MoKα","","0.0316","0.0303","","","0.0744","0.0752","","","","","","1.128","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330160","7.108","0.006","9.965","0.007","15.57","0.01","98.16","0.03","94.54","0.03","95","0.03","1082.8","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N3 O9 Pb -","- C18 H17 N3 O9 Pb -","- C36 H34 N6 O18 Pb2 -","2","1","","C. Gabriel; M. Perikli; C. P. Raptopoulou; A. Terzis; V. Psycharis; C. Mateescu; T. Jakusch; T. Kiss; M. Bertmer; A. Salifoglou","pH-Specific Hydrothermal Assembly of Binary and Ternary Pb(II)-(O,N-Carboxylic Acid) Metal Organic Framework Compounds: Correlation of Aqueous Solution Speciation with Variable Dimensionality Solid-State Lattice Architecture and Spectroscopic Signatures","Inorganic Chemistry","2012","51","","9282","9296","10.1021/ic300850g","","","0.71073","MoKα","","0.0546","0.0519","","","0.1361","0.1398","","","","","","1.037","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330161","13.586","0.003","14.662","0.003","17.811","0.003","92.113","0.013","105.038","0.012","115.331","0.011","3052.2","1.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H52 B Cu N8 O2 P2 -","- C51 H52 B Cu N8 O2 P2 -","- C102 H104 B2 Cu2 N16 O4 P4 -","2","1","","Sodio C. N. Hsu; Yu-Lun Chang; Wan-Jung Chuang; Hsing-Yin Chen; I-Jung Lin; Michael Y. Chiang; Chai-Lin Kao; Hsuan-Ying Chen","Copper(I) Nitro Complex with an Anionic [HB(3,5-Me2Pz)3]-Ligand: A Synthetic Model for the Copper Nitrite Reductase Active Site","Inorganic Chemistry","2012","51","","9297","9308","10.1021/ic300932a","","","0.71073","MoKα","","0.1535","0.064","","","0.1445","0.1659","","","","","","0.829","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330162","9.7899","0.0001","13.9485","0.0002","25.4657","0.0003","95.154","0.001","93.366","0.001","106.046","0.001","3315.76","0.07","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H85 B Cu N8 O7 P2 -","- C67 H85 B Cu N8 O7 P2 -","- C134 H170 B2 Cu2 N16 O14 P4 -","2","1","","Sodio C. N. Hsu; Yu-Lun Chang; Wan-Jung Chuang; Hsing-Yin Chen; I-Jung Lin; Michael Y. Chiang; Chai-Lin Kao; Hsuan-Ying Chen","Copper(I) Nitro Complex with an Anionic [HB(3,5-Me2Pz)3]-Ligand: A Synthetic Model for the Copper Nitrite Reductase Active Site","Inorganic Chemistry","2012","51","","9297","9308","10.1021/ic300932a","","","0.71073","MoKα","","0.0886","0.0622","","","0.1806","0.2008","","","","","","1.004","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330163","13.7806","0.0003","8.2508","0.0002","24.347","0.0006","90","","91.632","0.001","90","","2767.15","0.11","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl2 Cu F6 N6 O4 -","- C21 H24 Cl2 Cu F6 N6 O4 -","- C84 H96 Cl8 Cu4 F24 N24 O16 -","4","1","","Sodio C. N. Hsu; Yu-Lun Chang; Wan-Jung Chuang; Hsing-Yin Chen; I-Jung Lin; Michael Y. Chiang; Chai-Lin Kao; Hsuan-Ying Chen","Copper(I) Nitro Complex with an Anionic [HB(3,5-Me2Pz)3]-Ligand: A Synthetic Model for the Copper Nitrite Reductase Active Site","Inorganic Chemistry","2012","51","","9297","9308","10.1021/ic300932a","","","0.71073","MoKα","","0.1064","0.0744","","","0.1917","0.2309","","","","","","1.089","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330164","7.313","0.0003","21.8734","0.0008","11.7535","0.0005","90","","99.423","0.002","90","","1854.72","0.13","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Chlorido-(3-methyl-D-prolinium-5-methyl-2-oxido-benzaldehyde- thiosemicarbazone)copper(II)]chloride","","- C15 H20 Cl2 Cu N4 O3 S -","- C15 H20 Cl2 Cu N4 O3 S -","- C60 H80 Cl8 Cu4 N16 O12 S4 -","4","2","","Miljan N. M. Milunovic; Éva A. Enyedy; Nóra V. Nagy; Tamás Kiss; Robert Trondl; Michael A. Jakupec; Bernhard K. Keppler; Regina Krachler; Ghenadie Novitchi; Vladimir B. Arion","l- andd-Proline Thiosemicarbazone Conjugates: Coordination Behavior in Solution and the Effect of Copper(II) Coordination on Their Antiproliferative Activity","Inorganic Chemistry","2012","51","","9309","9321","10.1021/ic300967j","","","0.71073","MoKα","","0.0533","0.0356","","","0.0728","0.0795","","","","","","1.014","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330165","11.6893","0.0004","12.4944","0.0005","12.8275","0.0006","89.049","0.0018","76.563","0.002","62.984","0.002","1614.77","0.12","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H33 O3 P3 -","- C38 H33 O3 P3 -","- C76 H66 O6 P6 -","2","1","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.1014","0.0549","","","0.1216","0.1494","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330166","12.006","0.0003","12.5412","0.0004","15.9837","0.0005","102.022","0.0012","107.514","0.0014","106.946","0.0015","2076.65","0.11","150","2","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C47.5 H52 O4 P3 -","- C47.5 H52 O4 P3 -","- C95 H104 O8 P6 -","2","1","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.0767","0.061","","","0.1597","0.1721","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330167","17.0615","0.0005","19.2094","0.0004","26.4506","0.0008","90","","107.69","0.0011","90","","8259","0.4","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H50 O3.5 P3 -","- C46 H50 O3.5 P3 -","- C368 H400 O28 P24 -","8","2","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.0922","0.0634","","","0.1514","0.1747","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330168","8.5322","0.0008","14.5956","0.0013","19.4546","0.0017","82.379","0.005","79.06","0.005","75.52","0.004","2293.9","0.4","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H61 O5 P3 -","- C50 H61 O5 P3 -","- C100 H122 O10 P6 -","2","1","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.1394","0.0688","","","0.1517","0.1879","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330169","13.9962","0.0005","20.5926","0.0008","15.5985","0.0006","90","","100.825","0.002","90","","4415.8","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N4 O12 P3 Y -","- C40 H36 N4 O12 P3 Y -","- C160 H144 N16 O48 P12 Y4 -","4","1","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.1324","0.0581","","","0.1074","0.1254","","","","","","0.966","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330170","23.5739","0.0011","10.0316","0.0003","24.8254","0.0012","90","","113.798","0.0014","90","","5371.6","0.4","150","1","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 N3 O13 P3 Y -","- C48 H55 N3 O13 P3 Y -","- C192 H220 N12 O52 P12 Y4 -","4","1","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.1548","0.0723","","","0.1621","0.1853","","","","","","1.005","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330171","12.9013","0.0003","18.2387","0.0005","22.5329","0.0006","71.612","0.0013","78.218","0.0016","78.324","0.0015","4870.7","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H49 N3.5 O12.25 P3 Y -","- C46 H49 N3.5 O12.25 P3 Y -","- C184 H196 N14 O49 P12 Y4 -","4","2","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.15","0.0761","","","0.1693","0.2021","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330172","43.136","0.008","13.667","0.003","19.289","0.003","90","","102.986","0.003","90","","11081","4","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 N4 O12 P3 Y -","- C52 H60 N4 O12 P3 Y -","- C416 H480 N32 O96 P24 Y8 -","8","1","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.1085","0.0515","","","0.113","0.1326","","","","","","1","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330173","10.811","0.002","11.725","0.002","22.274","0.004","103.628","0.004","99.626","0.004","92.093","0.005","2696.8","0.8","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 N3 O12 P4 Y -","- C56 H48 N3 O12 P4 Y -","- C112 H96 N6 O24 P8 Y2 -","2","1","","Peter E. Sues; Alan J. Lough; Robert H. Morris","Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands","Inorganic Chemistry","2012","51","","9322","9332","10.1021/ic3010147","","","0.71073","MoKα","","0.0731","0.0434","","","0.0865","0.0958","","","","","","1.028","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330174","12.9856","0.0012","8.5662","0.0008","16.0313","0.0015","90","","111.912","0.004","90","","1654.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N3 O3 S2 V -","- C17 H11 N3 O3 S2 V -","- C68 H44 N12 O12 S8 V4 -","4","1","","Pabitra B. Chatterjee; Debbie C. Crans","Solid-to-Solid Oxidation of a Vanadium(IV) to a Vanadium(V) Compound: Chemisty of a Sulfur-Containing Siderophore","Inorganic Chemistry","2012","51","","9144","9146","10.1021/ic301026b","","","0.71073","MoKα","","0.1005","0.0503","","","0.1085","0.1318","","","","","","1.017","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330175","12.046","0.005","15.136","0.006","17.045","0.007","113.26","0.008","96.789","0.009","102.264","0.009","2718.4","1.9","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Br N4 Na O6 -","- C24 H34 Br N4 Na O6 -","- C96 H136 Br4 N16 Na4 O24 -","4","2","","Nicola Alzakhem; Caroline Bischof; Michael Seitz","Dependence of the Photophysical Properties on the Number of 2,2'-Bipyridine Units in a Series of Luminescent Europium and Terbium Cryptates","Inorganic Chemistry","2012","51","","9343","9349","10.1021/ic3010568","","","0.71073","MoKα","","0.1569","0.116","","","0.274","0.3073","","","","","","0.964","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330176","12.616","0.005","13.952","0.005","14.786","0.005","68.721","0.007","73.362","0.007","69.89","0.008","2238.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H50 B Co N6 O3 -","- C49 H50 B Co N6 O3 -","- C98 H100 B2 Co2 N12 O6 -","2","1","","Mickael Alimi; Anas Allam; Mohamed Selkti; Alain Tomas; Pascal Roussel; Erwan Galardon; Isabelle Artaud","Characterization of Cobalt(III) Hydroxamic Acid Complexes Based on a Tris(2-pyridylmethyl)amine Scaffold: Reactivity toward Cysteine Methyl Ester","Inorganic Chemistry","2012","51","","9350","9356","10.1021/ic301090t","","","0.71073","MoKα","","0.126","0.0588","","","0.1252","0.1454","","","","","","0.891","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330177","14.547","0.003","8.7751","0.0018","36.276","0.007","90","","98.29","0.03","90","","4582.3","1.6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 B Cu F4 Fe N10 O11 -","- C41 H48 B Cu F4 Fe N10 O11 -","- C164 H192 B4 Cu4 F16 Fe4 N40 O44 -","4","1","","Mihail Atanasov; Peter Comba; Stefan Helmle","Cyanide-Bridged FeIII-CuIIComplexes: Jahn-Teller Isomerism and Its Influence on the Magnetic Properties","Inorganic Chemistry","2012","51","","9357","9368","10.1021/ic301122h","","x-ray","0.71073","MoKα","","0.1319","0.0496","","","0.0961","0.1116","","","","","","0.701","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330178","11.9937","0.0019","15.051","0.002","15.248","0.002","88.676","0.017","85.715","0.018","80.332","0.018","2705.7","0.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H46 Cu F6 Fe N14 O7 P -","- C49 H46 Cu F6 Fe N14 O7 P -","- C98 H92 Cu2 F12 Fe2 N28 O14 P2 -","2","1","","Mihail Atanasov; Peter Comba; Stefan Helmle","Cyanide-Bridged FeIII-CuIIComplexes: Jahn-Teller Isomerism and Its Influence on the Magnetic Properties","Inorganic Chemistry","2012","51","","9357","9368","10.1021/ic301122h","","x-ray","0.71073","MoKα","","0.1981","0.0808","","","0.1688","0.2057","","","","","","0.834","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330179","14.0723","0.0017","15.553","0.002","16.878","0.002","110.874","0.016","100.658","0.015","99.645","0.016","3280.6","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H51 Cu Fe2 N19 O10 -","- C62 H51 Cu Fe2 N19 O10 -","- C124 H102 Cu2 Fe4 N38 O20 -","2","1","","Mihail Atanasov; Peter Comba; Stefan Helmle","Cyanide-Bridged FeIII-CuIIComplexes: Jahn-Teller Isomerism and Its Influence on the Magnetic Properties","Inorganic Chemistry","2012","51","","9357","9368","10.1021/ic301122h","","x-ray","0.71073","MoKα","","0.1468","0.0556","","","0.1208","0.1437","","","","","","0.772","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330180","13.178","0.0015","14.2581","0.0018","14.809","0.002","70.362","0.015","75.446","0.014","73.149","0.014","2471.3","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H49 Cu F6 Fe N11 O10 P -","- C46 H49 Cu F6 Fe N11 O10 P -","- C92 H98 Cu2 F12 Fe2 N22 O20 P2 -","2","1","","Mihail Atanasov; Peter Comba; Stefan Helmle","Cyanide-Bridged FeIII-CuIIComplexes: Jahn-Teller Isomerism and Its Influence on the Magnetic Properties","Inorganic Chemistry","2012","51","","9357","9368","10.1021/ic301122h","","x-ray","0.71073","MoKα","","0.1133","0.053","","","0.1135","0.1326","","","","","","0.805","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330181","9.2516","0.0006","13.4298","0.0009","17.8471","0.0014","90","","94.531","0.006","90","","2210.5","0.3","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Bi6 H0 N6 O27 -","- Bi6 N6 O27 -","- Bi24 N24 O108 -","4","1","","L. Miersch; T. Rüffer; M. Schlesinger; H. Lang; M. Mehring","Hydrolysis Studies on Bismuth Nitrate: Synthesis and Crystallization of Four Novel Polynuclear Basic Bismuth Nitrates","Inorganic Chemistry","2012","51","","9376","9384","10.1021/ic301148p","","","0.71073","MoKα","","0.0468","0.0365","","","0.088","0.0899","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330182","9.0149","0.0003","16.9298","0.0004","15.6864","0.0004","90","","90.129","0.003","90","","2394.06","0.12","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Bi6 H4 N6 O29 -","- Bi6 H4 N6 O29 -","- Bi24 H16 N24 O116 -","4","1","","L. Miersch; T. Rüffer; M. Schlesinger; H. Lang; M. Mehring","Hydrolysis Studies on Bismuth Nitrate: Synthesis and Crystallization of Four Novel Polynuclear Basic Bismuth Nitrates","Inorganic Chemistry","2012","51","","9376","9384","10.1021/ic301148p","","","0.71073","MoKα","","0.0425","0.0379","","","0.0952","0.0968","","","","","","1.042","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330183","20.3804","0.001","20.3871","0.0009","34.9715","0.0015","76.657","0.004","73.479","0.004","60.228","0.005","12021.7","1.1","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C53.5 H160.5 Bi38 N24 O144 S27 -","- C53.5 H160.5 Bi38 N24 O143.75 S26.75 -","- C107 H321 Bi76 N48 O287.5 S53.5 -","2","1","","L. Miersch; T. Rüffer; M. Schlesinger; H. Lang; M. Mehring","Hydrolysis Studies on Bismuth Nitrate: Synthesis and Crystallization of Four Novel Polynuclear Basic Bismuth Nitrates","Inorganic Chemistry","2012","51","","9376","9384","10.1021/ic301148p","","","0.71073","MoKα","","0.1047","0.069","","","0.1786","0.1883","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330184","20.0329","0.0004","20.0601","0.0004","34.3532","0.0006","90.196","0.001","91.344","0.002","119.37","0.002","12025.8","0.5","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H321 Bi76 N48 O287 S53 -","- C106 H321 Bi76 N48 O287 S53 -","- C106 H321 Bi76 N48 O287 S53 -","1","0.5","","L. Miersch; T. Rüffer; M. Schlesinger; H. Lang; M. Mehring","Hydrolysis Studies on Bismuth Nitrate: Synthesis and Crystallization of Four Novel Polynuclear Basic Bismuth Nitrates","Inorganic Chemistry","2012","51","","9376","9384","10.1021/ic301148p","","","0.71073","MoKα","","0.0922","0.0631","","","0.1548","0.161","","","","","","0.99","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330185","6.7677","0.0006","12.4619","0.001","11.9232","0.0011","90","","99.277","0.006","90","","992.43","0.15","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 N3 O -","- C8 H15 N3 O -","- C32 H60 N12 O4 -","4","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1141","0.0426","","","0.0885","0.1043","","","","","","0.82","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330186","9.7548","0.0019","10.167","0.002","11.363","0.002","90","","104.598","0.009","90","","1090.6","0.4","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N3 O -","- C9 H17 N3 O -","- C36 H68 N12 O4 -","4","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.0697","0.0396","","","0.1083","0.1184","","","","","","0.94","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330187","9.6557","0.0007","10.1503","0.0008","12.5074","0.0009","90","","108.767","0.004","90","","1160.66","0.15","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 N3 O -","- C10 H19 N3 O -","- C40 H76 N12 O4 -","4","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.0805","0.0489","","","0.119","0.1332","","","","","","0.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330188","9.8331","0.0011","11.3638","0.0013","11.807","0.0012","90","","93.112","0.008","90","","1317.4","0.2","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N3 O -","- C11 H21 N3 O -","- C44 H84 N12 O4 -","4","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.169","0.0556","","","0.1593","0.2043","","","","","","0.785","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330189","9.0311","0.0005","11.7481","0.0006","14.935","0.0008","73.635","0.004","73.419","0.004","69.843","0.004","1395.73","0.14","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H24 Cu F12 N3 O5 -","- C21.5 H24 Cu F12 N3 O5 -","- C43 H48 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1252","0.0607","","","0.1455","0.1687","","","","","","0.945","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330190","9.347","0.003","11.733","0.003","14.864","0.005","72.526","0.019","72.01","0.02","69.161","0.018","1415.4","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H24 Cu F12 N3 O5 -","- C21.5 H24 Cu F12 N3 O5 -","- C43 H48 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.2169","0.0941","","","0.2292","0.2724","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330191","9.3473","0.0008","11.7949","0.001","14.9015","0.0012","72.771","0.006","72.577","0.006","69.135","0.005","1431.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H24 Cu F12 N3 O5 -","- C21.5 H24 Cu F12 N3 O5 -","- C43 H48 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1091","0.042","","","0.0917","0.1103","","","","","","0.819","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330192","9.3952","0.0008","12.01","0.001","15.0234","0.0013","72.469","0.006","73.076","0.006","68.225","0.006","1470","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H24 Cu F12 N3 O5 -","- C21.5 H24 Cu F12 N3 O5 -","- C43 H48 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1356","0.0364","","","0.0729","0.0941","","","","","","0.683","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330193","9.1095","0.0003","11.7474","0.0003","14.8246","0.0004","96.583","0.002","107.523","0.002","110.262","0.002","1376.05","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cu F12 N3 O5 -","- C21 H23 Cu F12 N3 O5 -","- C42 H46 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.0841","0.0465","","","0.1094","0.1255","","","","","","0.969","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330194","9.1468","0.0004","11.8388","0.0005","14.9385","0.0006","71.851","0.003","72.449","0.003","69.622","0.003","1406.71","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Cu F12 N3 O5 -","- C21 H23 Cu F12 N3 O5 -","- C42 H46 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1147","0.0446","","","0.0892","0.1031","","","","","","0.815","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330195","9.2436","0.0004","12.0658","0.0005","15.0035","0.0007","71.823","0.002","73.077","0.002","68.48","0.002","1449.19","0.11","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cu F12 N3 O5 -","- C21 H23 Cu F12 N3 O5 -","- C42 H46 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.107","0.0444","","","0.1014","0.1154","","","","","","0.846","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330196","11.3234","0.0004","11.7798","0.0004","12.3533","0.0004","65.137","0.002","76.297","0.002","89.251","0.002","1445.48","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H26 Cu F12 N3 O5 -","- C22.5 H26 Cu F12 N3 O5 -","- C45 H52 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.088","0.0473","","","0.1313","0.1646","","","","","","0.634","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330197","11.3175","0.0016","11.7776","0.0018","12.4384","0.0018","64.913","0.01","76.248","0.01","89.115","0.01","1451.6","0.4","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H26 Cu F12 N3 O5 -","- C22.5 H26 Cu F12 N3 O5 -","- C45 H52 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1737","0.0583","","","0.1282","0.1605","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330198","11.3739","0.0008","11.7901","0.0008","12.5095","0.0009","65.211","0.004","76.198","0.004","89.196","0.005","1471.92","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H26 Cu F12 N3 O5 -","- C22.5 H26 Cu F12 N3 O5 -","- C45 H52 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.132","0.0635","","","0.1762","0.2113","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330199","11.3796","0.001","11.8394","0.0011","12.5033","0.0012","66.95","0.006","76.356","0.007","89.821","0.007","1498.8","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H26 Cu F12 N3 O5 -","- C22.5 H26 Cu F12 N3 O5 -","- C45 H52 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1482","0.0645","","","0.1753","0.2115","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330200","11.364","0.0007","11.952","0.0007","12.5958","0.0008","112.66","0.004","103.562","0.004","90.021","0.004","1526.85","0.17","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H26 Cu F12 N3 O5 -","- C22.5 H26 Cu F12 N3 O5 -","- C45 H52 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.2198","0.0505","","","0.0962","0.1243","","","","","","0.739","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330201","11.281","0.006","11.739","0.006","12.205","0.006","65.443","0.01","76.776","0.013","88.258","0.011","1427.3","1.3","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cu F12 N3 O5 -","- C22 H25 Cu F12 N3 O5 -","- C44 H50 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1875","0.0792","","","0.1921","0.2278","","","","","","0.93","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330202","11.341","0.004","11.784","0.004","12.285","0.004","65.358","0.006","76.763","0.006","88.232","0.006","1448.8","0.9","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cu F12 N3 O5 -","- C22 H25 Cu F12 N3 O5 -","- C44 H50 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1268","0.0668","","","0.1741","0.1973","","","","","","0.967","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330203","11.393","0.005","11.85","0.005","12.397","0.006","65.184","0.008","76.552","0.009","88.442","0.008","1472.8","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cu F12 N3 O5 -","- C22 H25 Cu F12 N3 O5 -","- C44 H50 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.2079","0.0717","","","0.1735","0.2129","","","","","","0.899","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330204","11.384","0.006","11.914","0.006","12.423","0.006","65.878","0.009","76.26","0.009","89.058","0.009","1487.6","1.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cu F12 N3 O5 -","- C22 H25 Cu F12 N3 O5 -","- C44 H50 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.2245","0.0747","","","0.1828","0.2262","","","","","","0.874","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330205","11.377","0.005","12.012","0.005","12.477","0.005","67.543","0.007","76.307","0.007","89.829","0.007","1523.7","1.1","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cu F12 N3 O5 -","- C22 H25 Cu F12 N3 O5 -","- C44 H50 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.2036","0.0642","","","0.1527","0.1906","","","","","","0.787","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330206","11.299","0.002","11.819","0.002","12.644","0.002","64.93","0.003","76.394","0.003","88.277","0.003","1481.9","0.4","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cu F12 N3 O5 -","- C23 H27 Cu F12 N3 O5 -","- C46 H54 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1118","0.0557","","","0.1294","0.1515","","","","","","0.923","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330207","11.405","0.003","11.874","0.003","12.692","0.003","64.779","0.004","76.161","0.004","88.893","0.004","1503.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cu F12 N3 O5 -","- C23 H27 Cu F12 N3 O5 -","- C46 H54 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1394","0.0532","","","0.1154","0.1428","","","","","","0.873","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330208","11.6569","0.001","11.9934","0.0011","12.5946","0.0011","112.906","0.006","104.046","0.006","90.239","0.007","1563.8","0.3","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cu F12 N3 O5 -","- C23 H27 Cu F12 N3 O5 -","- C46 H54 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.2475","0.0452","","","0.0781","0.1055","","","","","","0.672","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330209","11.5387","0.0012","11.8611","0.0011","12.8","0.0012","113.947","0.005","103.947","0.006","90.251","0.005","1543.5","0.3","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cu F12 N3 O5 -","- C24 H29 Cu F12 N3 O5 -","- C48 H58 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.0861","0.0427","","","0.0977","0.11","","","","","","0.882","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330210","11.636","0.002","11.967","0.002","12.853","0.002","113.944","0.009","103.806","0.009","90.161","0.012","1578.4","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cu F12 N3 O5 -","- C24 H28 Cu F12 N3 O5 -","- C48 H56 Cu2 F24 N6 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1086","0.046","","","0.0829","0.1047","","","","","","0.995","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330211","12.0645","0.0018","12.7319","0.0017","13.74","0.003","95.768","0.012","107.811","0.013","114.523","0.009","1764","0.6","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 Cu3 F36 N6 O14 -","- C50 H42 Cu3 F36 N6 O14 -","- C50 H42 Cu3 F36 N6 O14 -","1","0.5","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.2197","0.0708","","","0.167","0.2391","","","","","","0.959","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330212","10.3629","0.0016","12.8444","0.0018","15.466","0.002","100.034","0.01","109.376","0.01","108.129","0.01","1755","0.5","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 Cu3 F36 N6 O14 -","- C50 H42 Cu3 F36 N6 O14 -","- C50 H42 Cu3 F36 N6 O14 -","1","0.5","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.3351","0.0461","","","0.0565","0.1001","","","","","","0.601","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330213","10.3959","0.0006","13.2986","0.0008","15.4302","0.0009","100.681","0.004","108.58","0.004","108.631","0.004","1815.5","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cu1.5 F18 N3 O7 -","- C26 H23 Cu1.5 F18 N3 O7 -","- C52 H46 Cu3 F36 N6 O14 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1344","0.0338","","","0.0514","0.0643","","","","","","0.671","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330214","8.918","0.0005","11.9412","0.0007","14.8834","0.0009","73.404","0.004","74.656","0.003","68.615","0.004","1391.3","0.15","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H24 Cu F12 N2 O5 -","- C22.5 H24 Cu F12 N2 O5 -","- C45 H48 Cu2 F24 N4 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1765","0.0568","","","0.1164","0.1504","","","","","","0.826","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330215","9.2979","0.0004","11.9963","0.0004","15.0186","0.0006","73.559","0.002","74.362","0.002","68.639","0.001","1470.1","0.1","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H24 Cu F12 N2 O5 -","- C22.5 H24 Cu F12 N2 O5 -","- C45 H48 Cu2 F24 N4 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.0767","0.053","","","0.16","0.1738","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330216","8.5632","0.0004","11.4748","0.0005","14.0474","0.0006","77.861","0.001","82.743","0.001","72.327","0.001","1282.86","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cu F12 N2 O5 -","- C20 H18 Cu F12 N2 O5 -","- C40 H36 Cu2 F24 N4 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.0383","0.0295","","","0.0816","0.0844","","","","","","1.392","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330217","8.5952","0.0003","11.5147","0.0003","14.1296","0.0004","77.793","0.002","82.808","0.002","72.233","0.002","1298.85","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cu F12 N2 O5 -","- C20 H18 Cu F12 N2 O5 -","- C40 H36 Cu2 F24 N4 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.0513","0.0316","","","0.0738","0.0786","","","","","","0.976","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330218","8.7041","0.0003","11.6233","0.0004","14.2736","0.0005","77.542","0.002","82.682","0.002","71.711","0.002","1336.06","0.08","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cu F12 N2 O5 -","- C20 H18 Cu F12 N2 O5 -","- C40 H36 Cu2 F24 N4 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.0873","0.0366","","","0.0699","0.0807","","","","","","0.809","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330219","8.8757","0.0005","15.288","0.0007","21.2854","0.001","90","","90","","90","","2888.3","0.2","240","2","240","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cu F12 N2 O5 -","- C21 H20 Cu F12 N2 O5 -","- C84 H80 Cu4 F48 N8 O20 -","4","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.092","0.0354","","","0.0727","0.0851","","","","","","0.81","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330220","11.4546","0.0004","11.8703","0.0004","12.0854","0.0004","110.324","0.002","103.386","0.002","90.176","0.002","1492.79","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H28 Cu F12 N2 O5 -","- C24.5 H28 Cu F12 N2 O5 -","- C49 H56 Cu2 F24 N4 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.045","0.033","","","0.0898","0.095","","","","","","0.913","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330221","11.6655","0.0008","11.8896","0.0009","12.763","0.0009","69.536","0.005","75.708","0.004","89.735","0.005","1600.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H28 Cu F12 N2 O5 -","- C24.5 H28 Cu F12 N2 O5 -","- C49 H56 Cu2 F24 N4 O10 -","2","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1454","0.0404","","","0.0775","0.0989","","","","","","0.702","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330222","6.662","0.003","12.043","0.004","13.37","0.005","90","","94.4","0.007","90","","1069.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O2 -","- C9 H15 N3 O2 -","- C36 H60 N12 O8 -","4","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.1735","0.073","","","0.1561","0.1901","","","","","","0.842","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330223","10.0941","0.0002","23.5171","0.0005","17.2689","0.0003","90","","110.6","0.001","90","","3837.24","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 Ge N2 P -","- C41 H63 Ge N2 P -","- C164 H252 Ge4 N8 P4 -","4","1","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.71073","MoKα","","0.0702","0.0462","","","0.1082","0.1191","","","","","","0.99","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330224","12.6382","0.0003","17.6553","0.0004","19.5975","0.0004","69.422","0.001","84.81","0.001","74.862","0.001","3951.74","0.16","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C89 H110 N4 P2 Sn2 -","- C89 H110 N4 P2 Sn2 -","- C178 H220 N8 P4 Sn4 -","2","1","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.7107","MoKα","","0.0994","0.0553","","","0.1229","0.1391","","","","","","1.03","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330225","9.9722","0.0001","23.7044","0.0004","17.4243","0.0003","90","","109.003","0.001","90","","3894.37","0.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 N2 P Sn -","- C41 H63 N2 P Sn -","- C164 H252 N8 P4 Sn4 -","4","1","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.71073","MoKα","","0.0577","0.0368","","","0.0724","0.079","","","","","","1.023","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330226","12.1569","0.0002","15.7065","0.0002","23.405","0.0004","90","","119.547","0.001","90","","3887.82","0.11","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 N2 P Si2 Sn -","- C35 H59 N2 P Si2 Sn -","- C140 H236 N8 P4 Si8 Sn4 -","4","1","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.71073","MoKα","","0.0561","0.0343","","","0.0704","0.078","","","","","","0.991","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330227","15.9697","0.0005","18.3168","0.0006","25.8355","0.0006","90","","90","","90","","7557.2","0.4","173","2","173","2","","","","","","","synthesis as described","5","I 2 c b","I -2a 2","45","","","","- C41 H51 N2 P Pb -","- C41 H51 N2 P Pb -","- C328 H408 N16 P8 Pb8 -","8","1","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.7107","MoKα","","0.0863","0.0468","","","0.0847","0.0958","","","","","","0.986","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330228","9.9586","0.0002","23.7678","0.0004","17.4757","0.0002","90","","108.531","0.001","90","","3921.93","0.11","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 N2 P Pb -","- C41 H63 N2 P Pb -","- C164 H252 N8 P4 Pb4 -","4","1","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.71073","MoKα","","0.0468","0.0293","","","0.054","0.0584","","","","","","1.032","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330229","23.9643","0.0002","27.8303","0.0003","10.2198","0.0001","90","","90","","90","","6815.93","0.11","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C36 H49 Cl N2 Sn -","- C36 H49 Cl N2 Sn -","- C288 H392 Cl8 N16 Sn8 -","8","1","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.71073","MoKα","","0.0437","0.031","","","0.0612","0.0649","","","","","","1.063","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330230","6.1617","0.0003","7.3499","0.0004","21.8665","0.0008","90","","105.948","0.003","90","","952.17","0.08","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 P2 -","- C24 H20 P2 -","- C48 H40 P4 -","2","0.5","","Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton","Group 14 Metal Terminal Phosphides: Correlating Structure with |JMP|","Inorganic Chemistry","2012","51","","9403","9415","10.1021/ic301208d","","x-ray","0.71073","MoKα","","0.0524","0.0378","","","0.0836","0.0894","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330231","46.5858","0.0013","46.5858","0.0013","8.8708","0.0003","90","","90","","120","","16672.5","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16 H45 F3 Ge7 N8 O15 Zn2 -","- C16 H45 F3 Ge7 N8 O15 Zn2 -","- C288 H810 F54 Ge126 N144 O270 Zn36 -","18","1","","Quang Bac Nguyen; Kwang-Hwa Lii","(C8H22N4Zn)2Ge7O14(OH)F3: A One-Dimensional Zinc Germanate Containing Hollow Columns with an 18-Membered Window","Inorganic Chemistry","2012","51","","9150","9152","10.1021/ic301216q","","","0.71073","MoKα","","0.0762","0.0396","","","0.0923","0.1047","","","","","","1.016","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330232","13.186","0.006","15.794","0.007","9.718","0.004","90","","102.575","0.007","90","","1975.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Co N5 O2 -","- C22 H26 Co N5 O2 -","- C88 H104 Co4 N20 O8 -","4","0.5","","Julia Kozhukh; Stephen J. Lippard","Variable Nitric Oxide Reactivity of Tropocoronand Cobalt(III) Nitrite Complexes as a Function of the Polymethylene Linker Chain Length","Inorganic Chemistry","2012","51","","9416","9422","10.1021/ic3012266","","","0.71073","MoKα","","0.0782","0.0503","","","0.0946","0.1061","","","","","","1.086","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330233","15.9717","0.0017","13.0636","0.0014","10.3826","0.0011","90","","90.91","0.002","90","","2166","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Co N5 O2 -","- C24 H30 Co N5 O2 -","- C96 H120 Co4 N20 O8 -","4","0.5","","Julia Kozhukh; Stephen J. Lippard","Variable Nitric Oxide Reactivity of Tropocoronand Cobalt(III) Nitrite Complexes as a Function of the Polymethylene Linker Chain Length","Inorganic Chemistry","2012","51","","9416","9422","10.1021/ic3012266","","","0.71073","MoKα","","0.0571","0.0385","","","0.0738","0.0805","","","","","","1.053","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330234","14.5809","0.0014","12.7705","0.0012","28.256","0.003","90","","93.057","0.002","90","","5253.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 Co2 N10 O5 -","- C56 H76 Co2 N10 O5 -","- C224 H304 Co8 N40 O20 -","4","1","","Julia Kozhukh; Stephen J. Lippard","Variable Nitric Oxide Reactivity of Tropocoronand Cobalt(III) Nitrite Complexes as a Function of the Polymethylene Linker Chain Length","Inorganic Chemistry","2012","51","","9416","9422","10.1021/ic3012266","","","0.71073","MoKα","","0.1272","0.0588","","","0.1167","0.1496","","","","","","1.026","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330235","8.819","0.003","14.702","0.005","10.458","0.003","90","","103.894","0.006","90","","1316.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 Fe N10 O -","- C26 H20 Br2 Fe N10 O -","- C52 H40 Br4 Fe2 N20 O2 -","2","0.5","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","0.71073","MoKα","","0.105","0.0537","","","0.1179","0.1447","","","","","","1.003","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330236","8.6854","0.0009","14.4819","0.0014","10.4064","0.001","89.184","0.008","103.298","0.008","89.357","0.008","1273.6","0.2","136","2","136","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br2 Fe N10 O -","- C26 H20 Br2 Fe N10 O -","- C52 H40 Br4 Fe2 N20 O2 -","2","1","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","1.54178","CuKα","","0.1041","0.0842","","","0.233","0.2422","","","","","","1.009","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330237","8.5888","0.0016","14.149","0.003","10.554","0.002","90","","102.868","0.003","90","","1250.3","0.4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 Fe N10 O -","- C26 H20 Br2 Fe N10 O -","- C52 H40 Br4 Fe2 N20 O2 -","2","0.5","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","0.71073","MoKα","","0.0612","0.0425","","","0.1074","0.1194","","","","","","1.002","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330238","8.6888","0.001","14.9313","0.0018","10.1493","0.0012","90","","104.513","0.002","90","","1274.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Br2 Fe N10 O -","- C25 H18 Br2 Fe N10 O -","- C50 H36 Br4 Fe2 N20 O2 -","2","0.5","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","0.71073","MoKα","","0.0672","0.047","","","0.1188","0.1337","","","","","","1.005","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330239","8.553","0.0004","14.6729","0.001","10.1236","0.0008","89.052","0.006","104.019","0.006","89.622","0.005","1232.4","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 Br2 Fe N10 O -","- C25 H18 Br2 Fe N10 O -","- C50 H36 Br4 Fe2 N20 O2 -","2","1","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","1.54178","CuKα","","0.0716","0.0608","","","0.1552","0.1619","","","","","","1.006","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330240","8.466","0.0012","14.437","0.002","10.1757","0.0014","90","","103.465","0.002","90","","1209.5","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Br2 Fe N10 O -","- C25 H18 Br2 Fe N10 O -","- C50 H36 Br4 Fe2 N20 O2 -","2","0.5","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","0.71073","MoKα","","0.0625","0.0454","","","0.1142","0.1262","","","","","","1.007","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330241","8.5942","0.0008","14.9817","0.0014","10.1941","0.001","90","","103.976","0.002","90","","1273.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br2 Fe N10 -","- C24 H14 Br2 Fe N10 -","- C48 H28 Br4 Fe2 N20 -","2","0.5","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","0.71073","MoKα","","0.0955","0.0544","","","0.1203","0.1455","","","","","","1.002","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330242","8.5092","0.0005","14.6903","0.001","10.2033","0.0006","88.809","0.005","103.415","0.005","89.486","0.005","1240.25","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Br2 Fe N10 -","- C24 H14 Br2 Fe N10 -","- C48 H28 Br4 Fe2 N20 -","2","1","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","1.54178","CuKα","","0.1012","0.0636","","","0.1575","0.1679","","","","","","1.002","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330243","8.4361","0.0011","14.4264","0.0018","10.2503","0.0013","90","","102.885","0.003","90","","1216.1","0.3","97","2","97","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br2 Fe N10 -","- C24 H14 Br2 Fe N10 -","- C48 H28 Br4 Fe2 N20 -","2","0.5","","Jian-Bin Lin; Wei Xue; Bao-Ying Wang; Jun Tao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework","Inorganic Chemistry","2012","51","","9423","9430","10.1021/ic301237p","","","0.71073","MoKα","","0.0747","0.0516","","","0.1242","0.1419","","","","","","1.002","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330244","20.0641","0.0008","20.0641","0.0008","8.8106","0.0007","90","","90","","90","","3546.9","0.3","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C38 H38 Mn2 N4 O8 -","- C38 H38 Mn2 N4 O8 -","- C152 H152 Mn8 N16 O32 -","4","0.5","","Lu-Fang Ma; Min-Le Han; Jian-Hua Qin; Li-Ya Wang; Miao Du","MnIICoordination Polymers Based on Bi-, Tri-, and Tetranuclear and Polymeric Chain Building Units: Crystal Structures and Magnetic Properties","Inorganic Chemistry","2012","51","","9431","9442","10.1021/ic3012537","","","0.71073","MoKα","","0.0395","0.0299","","","0.0749","0.0811","","","","","","1.017","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330245","33.611","0.003","13.8679","0.0014","13.7856","0.0014","90","","90","","90","","6425.7","1.1","296","2","296","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C64 H64 Mn3 N8 O12 -","- C64 H64 Mn3 N8 O12 -","- C256 H256 Mn12 N32 O48 -","4","0.5","","Lu-Fang Ma; Min-Le Han; Jian-Hua Qin; Li-Ya Wang; Miao Du","MnIICoordination Polymers Based on Bi-, Tri-, and Tetranuclear and Polymeric Chain Building Units: Crystal Structures and Magnetic Properties","Inorganic Chemistry","2012","51","","9431","9442","10.1021/ic3012537","","","0.71073","MoKα","","0.0534","0.0395","","","0.0868","0.0938","","","","","","1.011","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330246","9.6461","0.0014","14.257","0.002","14.544","0.002","109.208","0.002","105.505","0.002","92.453","0.002","1801.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H43 Mn1.5 N4 O10 -","- C34 H43 Mn1.5 N4 O10 -","- C68 H86 Mn3 N8 O20 -","2","1","","Lu-Fang Ma; Min-Le Han; Jian-Hua Qin; Li-Ya Wang; Miao Du","MnIICoordination Polymers Based on Bi-, Tri-, and Tetranuclear and Polymeric Chain Building Units: Crystal Structures and Magnetic Properties","Inorganic Chemistry","2012","51","","9431","9442","10.1021/ic3012537","","","0.71073","MoKα","","0.0708","0.0504","","","0.1317","0.1458","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330247","19.493","0.006","29.829","0.009","16.34","0.005","90","","125.281","0.003","90","","7756","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H41 Mn2 N4 O8.5 -","- C41 H41 Mn2 N4 O8.5 -","- C328 H328 Mn16 N32 O68 -","8","1","","Lu-Fang Ma; Min-Le Han; Jian-Hua Qin; Li-Ya Wang; Miao Du","MnIICoordination Polymers Based on Bi-, Tri-, and Tetranuclear and Polymeric Chain Building Units: Crystal Structures and Magnetic Properties","Inorganic Chemistry","2012","51","","9431","9442","10.1021/ic3012537","","","0.71073","MoKα","","0.099","0.0753","","","0.2101","0.2293","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330248","11.6083","0.0008","40.268","0.003","48.394","0.003","90","","90","","90","","22621","3","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C57 H64 Mn4 N4 O18 -","- C57 H64 Mn4 N4 O18 -","- C912 H1024 Mn64 N64 O288 -","16","0.5","","Lu-Fang Ma; Min-Le Han; Jian-Hua Qin; Li-Ya Wang; Miao Du","MnIICoordination Polymers Based on Bi-, Tri-, and Tetranuclear and Polymeric Chain Building Units: Crystal Structures and Magnetic Properties","Inorganic Chemistry","2012","51","","9431","9442","10.1021/ic3012537","","","0.71073","MoKα","","0.0512","0.0435","","","0.1584","0.1745","","","","","","1.028","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330249","12.8799","0.0016","19.833","0.003","15.6275","0.0019","90","","94.077","0.003","90","","3981.9","0.9","183","2","183","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Cl2 Mn N8 O10.15 -","- C34 H42 Cl2 Mn N8 O10.153 -","- C136 H168 Cl8 Mn4 N32 O40.612 -","4","1","","Meng Yu; Ronald J. Beyers; John D. Gorden; Justin N. Cross; Christian R. Goldsmith","A Magnetic Resonance Imaging Contrast Agent Capable of Detecting Hydrogen Peroxide","Inorganic Chemistry","2012","51","","9153","9155","10.1021/ic3012603","","x-ray","0.71073","MoKα","","0.0678","0.0537","","","0.1252","0.1328","","","","","","1.044","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330250","11.5037","0.0005","14.5093","0.0006","22.4086","0.001","104.436","0.003","95.795","0.003","108.249","0.003","3374.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 Cl3 Mn2 N13 O14 -","- C62 H68 Cl3 Mn2 N13 O14 -","- C124 H136 Cl6 Mn4 N26 O28 -","2","1","","Meng Yu; Ronald J. Beyers; John D. Gorden; Justin N. Cross; Christian R. Goldsmith","A Magnetic Resonance Imaging Contrast Agent Capable of Detecting Hydrogen Peroxide","Inorganic Chemistry","2012","51","","9153","9155","10.1021/ic3012603","","","0.71073","MoKα","","0.1346","0.0864","","","0.2211","0.2434","","","","","","1.033","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330251","15.442","0.007","21.234","0.01","14.601","0.007","90","","99.637","0.007","90","","4720","4","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 B Cu F4 N4 O4 -","- C21 H28 B Cu F4 N5 O4 -","- C168 H224 B8 Cu8 F32 N40 O32 -","8","2","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0796","","","","0.1918","","","","","","1.206","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330252","7.805","0.009","19.739","0.017","15.504","0.017","90","","94.66","0.05","90","","2381","4","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cu F6 N3 P -","- C22 H31 Cu F6 N3 P -","- C88 H124 Cu4 F24 N12 P4 -","4","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0487","","","","0.0761","","","","","","1.003","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330253","10.6388","0.0004","13.7319","0.0005","26.1001","0.001","90","","90","","90","","3813","0.2","103","","103","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H27 Cu F6 N3 P -","- C16 H27 Cu F6 N3 P -","- C128 H216 Cu8 F48 N24 P8 -","8","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0261","","","","0.0588","","","","","","1.008","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330254","11.1894","0.0005","11.3597","0.0006","14.2362","0.0008","103.344","0.0014","90.2499","0.0014","102.542","0.0013","1715.84","0.15","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 B Cl Cu N3 -","- C40 H45 B Cl Cu N3 -","- C80 H90 B2 Cl2 Cu2 N6 -","2","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0504","","","","0.1239","","","","","","0.997","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330255","11.9825","0.0005","12.697","0.0005","14.8164","0.0006","90","","109.849","0.0014","90","","2120.27","0.15","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 B Cu F4 N3 O2 -","- C18 H30 B Cu F4 N3 O2 -","- C72 H120 B4 Cu4 F16 N12 O8 -","4","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0566","","","","0.1871","","","","","","0.978","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330256","9.7137","0.0006","26.8338","0.0019","7.4613","0.0005","90","","90","","90","","1944.8","0.2","103","","103","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C16 H27 B Cu F4 N4 O2 -","- C16 H27 B Cu F4 N4 O2 -","- C64 H108 B4 Cu4 F16 N16 O8 -","4","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0538","","","","0.133","","","","","","1.163","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330257","7.4111","0.0005","14.7331","0.001","9.2356","0.0006","90","","98.9413","0.0018","90","","996.17","0.12","113","","113","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H27 B Cu F4 N6 -","- C16 H27 B Cu F4 N6 -","- C32 H54 B2 Cu2 F8 N12 -","2","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0454","","","","0.0732","","","","","","1.047","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330258","7.776","0.01","19.53","0.02","15.634","0.019","90","","95.13","0.05","90","","2365","5","153.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl Cu F6 N3 P -","- C21 H28 Cl Cu F6 N3 P -","- C84 H112 Cl4 Cu4 F24 N12 P4 -","4","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0345","","","","0.0566","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330259","27.03","0.005","17.193","0.005","17.594","0.005","90","0.005","99.054","0.005","90","0.005","8075","4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 Cu4 Dy2 N11 O45 -","- C60 H80 Cu4 Dy2 N11 O45 -","- C240 H320 Cu16 Dy8 N44 O180 -","4","0.5","","Abhijeet K. Chaudhari; Biplab Joarder; Eric Rivière; Guillaume Rogez; Sujit K. Ghosh","Nitrate-Bridged ""Pseudo-Double-Propeller""-Type Lanthanide(III)-Copper(II) Heterometallic Clusters: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","9159","9161","10.1021/ic3012876","","","0.71069","MoKα","","0.096","0.0627","","","0.1687","0.1939","","","","","","1.046","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330260","26.748","0.003","17.26","0.002","17.711","0.002","90","","99.168","0.003","90","","8072.2","1.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 Cu4 Gd2 N10 O44 -","- C60 H68 Cu4 Gd2 N11 O45 -","- C240 H272 Cu16 Gd8 N44 O180 -","4","0.5","","Abhijeet K. Chaudhari; Biplab Joarder; Eric Rivière; Guillaume Rogez; Sujit K. Ghosh","Nitrate-Bridged ""Pseudo-Double-Propeller""-Type Lanthanide(III)-Copper(II) Heterometallic Clusters: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","9159","9161","10.1021/ic3012876","","","0.71073","MoKα","","0.0701","0.0489","","","0.125","0.1396","","","","","","1.061","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330261","25.65","0.03","26.98","0.03","10.28","0.012","90","","90","","90","","7114","14","100","","100","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C1.15 Cr0.69 N0.38 O4 U0.5 -","- C1.15385 Cr0.692308 N0.384615 O4 U0.5 -","- C60 Cr36 N20 O208 U26 -","52","6.5","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anatoly A. Petrunin; Roman A. Kayukov; Sergey V. Krivovichev","Nanoscale Hemispheres in Novel Mixed-Valent Uranyl Chromate(V,VI), (C3NH10)10[(UO2)13(Cr125+O42)(Cr6+O4)6(H2O)6](H2O)6","Inorganic Chemistry","2012","51","","9162","9164","10.1021/ic301288r","","","0.71073","MoKα","","0.1494","0.0815","","","0.2198","0.2555","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330262","7.1755","0.001","12.0865","0.0016","7.9343","0.0011","90","","97.853","0.002","90","","681.66","0.16","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H18 O17 S2 U -","- O17 S2 U -","- O34 S4 U2 -","2","0.5","","David D. Schnaars; Richard E. Wilson","Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides","Inorganic Chemistry","2012","51","","9481","9490","10.1021/ic301291w","","","0.71073","MoKα","","0.0297","0.0273","","","0.0726","0.0738","","","","","","1.067","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330263","14.624","0.003","11.093","0.002","5.6416","0.0011","90","","90","","90","","915.2","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H10 O13 S2 U -","- O13 S2 U -","- O52 S8 U4 -","4","0.5","","David D. Schnaars; Richard E. Wilson","Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides","Inorganic Chemistry","2012","51","","9481","9490","10.1021/ic301291w","","","0.71073","MoKα","","0.0485","0.0324","","","0.0876","0.0949","","","","","","1.108","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330264","12.4184","0.0019","11.1585","0.0017","13.512","0.002","90","","111.721","0.002","90","","1739.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H6 K4 O19 S4 U -","- K4 O19 S4 U -","- K16 O76 S16 U4 -","4","1","","David D. Schnaars; Richard E. Wilson","Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides","Inorganic Chemistry","2012","51","","9481","9490","10.1021/ic301291w","","","0.71073","MoKα","","0.0428","0.033","","","0.0809","0.0858","","","","","","1.05","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330265","12.478","0.0016","11.3264","0.0015","13.4294","0.0018","90","","109.705","0.002","90","","1786.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H2.5 O17.25 Rb4 S4 U -","- O17.25 Rb4 S4 U -","- O69 Rb16 S16 U4 -","4","1","","David D. Schnaars; Richard E. Wilson","Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides","Inorganic Chemistry","2012","51","","9481","9490","10.1021/ic301291w","","","0.71073","MoKα","","0.0656","0.038","","","0.0736","0.0827","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330266","6.4674","0.0011","12.782","0.002","16.366","0.003","90","","102.182","0.006","90","","1322.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 H4 O14 S3 U -","- Cs2 O14 S3 U -","- Cs8 O56 S12 U4 -","4","1","","David D. Schnaars; Richard E. Wilson","Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides","Inorganic Chemistry","2012","51","","9481","9490","10.1021/ic301291w","","","0.71073","MoKα","","0.0565","0.037","","","0.0754","0.084","","","","","","1.006","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330267","11.1979","0.0012","14.2103","0.0016","23.115","0.003","90","","96.375","0.002","90","","3655.4","0.7","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Al6 N10 O70 Th2 -","- C20 H44 Al6 N10 O70 Th2 -","- C40 H88 Al12 N20 O140 Th4 -","2","0.5","","Melissa Fairley; Daniel K. Unruh; Samangi Abeysinghe; Tori Z. Forbes","Synthesis and Structural Characterization of Heterometallic Thorium Aluminum Polynuclear Molecular Clusters","Inorganic Chemistry","2012","51","","9491","9498","10.1021/ic3013014","","","0.71073","MoKα","","0.0406","0.0311","","","0.0796","0.0838","","","","","","1.103","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330268","13.136","0.004","14.481","0.004","15.819","0.004","78.48","0.009","65.666","0.008","78.272","0.008","2661.8","1.3","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Al8 N8 O83 Th2 -","- C44 H56 Al8 N8 O83 Th2 -","- C44 H56 Al8 N8 O83 Th2 -","1","0.5","","Melissa Fairley; Daniel K. Unruh; Samangi Abeysinghe; Tori Z. Forbes","Synthesis and Structural Characterization of Heterometallic Thorium Aluminum Polynuclear Molecular Clusters","Inorganic Chemistry","2012","51","","9491","9498","10.1021/ic3013014","","","0.71073","MoKα","","0.04","0.0371","","","0.1083","0.1106","","","","","","1.053","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330269","11.156","0","12.1794","0.0001","17.0359","0.0001","70.941","0.006","76.769","0.006","64.777","0.005","1968.31","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H50 Gd N7 O17 S Zn -","- C31 H34 Gd N7 O17 S Zn -","- C62 H68 Gd2 N14 O34 S2 Zn2 -","2","1","","Jian Luo; Wei-Sheng Li; Peng Xu; Li-Yi Zhang; Zhong-Ning Chen","Zn2+Responsive Bimodal Magnetic Resonance Imaging and Fluorescent Imaging Probe Based on a Gadolinium(III) Complex","Inorganic Chemistry","2012","51","","9508","9516","10.1021/ic301308z","","","0.71073","MoKα","","0.0382","0.0336","","","0.0827","0.0855","","","","","","1.066","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330270","11.6649","0.0005","7.0953","0.0003","11.7585","0.0005","90","","90","","90","","973.2","0.07","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","rubidium zinc arsenide (2/5/4)","rubidium zinc arsenide (2/5/4)","","- As4 Rb2 Zn5 -","- As4 Rb2 Zn5 -","- As16 Rb8 Zn20 -","4","0.25","","Stanislav S. Stoyko; Mansura Khatun; Arthur Mar","Ternary Arsenides A2Zn5As4(A = K, Rb): Zintl Phases Built fromStellae Quadrangulae","Inorganic Chemistry","2012","51","","9517","9521","10.1021/ic301311m","","","0.71073","MoKα","","0.02","0.0161","","","0.0325","0.0336","","","","","","1.077","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330271","11.5758","0.0005","7.0476","0.0003","11.6352","0.0005","90","","90","","90","","949.22","0.07","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","potassium zinc arsenide (2/5/4)","potassium zinc arsenide (2/5/4)","","- As4 K2 Zn5 -","- As4 K2 Zn5 -","- As16 K8 Zn20 -","4","0.25","","Stanislav S. Stoyko; Mansura Khatun; Arthur Mar","Ternary Arsenides A2Zn5As4(A = K, Rb): Zintl Phases Built fromStellae Quadrangulae","Inorganic Chemistry","2012","51","","9517","9521","10.1021/ic301311m","","","0.71073","MoKα","","0.0146","0.0138","","","0.0314","0.0317","","","","","","1.28","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330272","11.98","0.0011","16.536","0.0015","16.9391","0.0016","93.022","0.001","98.477","0.001","111.088","0.001","3076.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H104 N6 O2 Os2 P4 -","- C46.5 H104 N6 O2 Os2 P4 -","- C93 H208 N12 O4 Os4 P8 -","2","1","","Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván","Reactions of an Osmium-Hexahydride Complex with Cytosine, Deoxycytidine, and Cytidine: The Importance of the Minor Tautomers","Inorganic Chemistry","2012","51","","9522","9528","10.1021/ic3013238","","","0.71073","MoKα","","0.1241","0.0499","","","0.0869","0.1025","","","","","","0.825","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330273","14.1939","0.0009","15.7893","0.0011","21.4859","0.0013","90","","96.021","0.006","90","","4788.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H93 N3 O Os2 P4 -","- C40 H93 N3 O Os2 P4 -","- C160 H372 N12 O4 Os8 P16 -","4","1","","Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván","Reactions of an Osmium-Hexahydride Complex with Cytosine, Deoxycytidine, and Cytidine: The Importance of the Minor Tautomers","Inorganic Chemistry","2012","51","","9522","9528","10.1021/ic3013238","","","0.7107","MoKα","","0.1429","0.0715","","","0.0812","0.1051","","","","","","0.984","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330274","8.2687","0.0004","16.6546","0.0007","19.2321","0.0008","90","","90","","90","","2648.5","0.2","298","0.2","298","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Li6 Mo6 O33 Se6 -","- Li6 Mo6 O33 Se6 -","- Li24 Mo24 O132 Se24 -","4","1","","Sau Doan Nguyen; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of New Li± d0-Lone-Pair - Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+or W6+)","Inorganic Chemistry","2012","51","","9529","9538","10.1021/ic301334c","","","0.71073","MoKα","","0.0322","0.0282","","","0.0632","0.0641","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330275","5.383","0.0005","13.0027","0.0011","6.9814","0.0006","90","","94.762","0.001","90","","486.97","0.07","293","0.2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Li2 Mo O6 Te -","- Li2 Mo O6 Te -","- Li8 Mo4 O24 Te4 -","4","1","","Sau Doan Nguyen; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of New Li± d0-Lone-Pair - Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+or W6+)","Inorganic Chemistry","2012","51","","9529","9538","10.1021/ic301334c","","","0.71073","MoKα","","0.0282","0.0274","","","0.0702","0.0709","","","","","","1.168","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330276","5.395","0.0005","12.944","0.0012","7.0149","0.0007","90","","94.251","0.001","90","","488.52","0.08","293","0.2","293","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Li2 O6 Te W -","- Li2 O6 Te W -","- Li8 O24 Te4 W4 -","4","1","","Sau Doan Nguyen; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of New Li± d0-Lone-Pair - Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+or W6+)","Inorganic Chemistry","2012","51","","9529","9538","10.1021/ic301334c","","","0.71073","MoKα","","0.0213","0.0209","","","0.0527","0.0529","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330277","11.4096","0.0004","5.4333","0.0002","25.1315","0.0009","90","","90","","90","","1557.95","0.1","296","2","296","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","","","- Bi23.346 Cu4.654 Li4 O72 P12 -","- Bi23.346 Cu4.654 Li4 O72 P12 -","- Bi23.346 Cu4.654 Li4 O72 P12 -","1","0.25","","Diana Endara; Marie Colmont; Marielle Huvé; Frederic Capet; Julien Lejay; P. Aschehoug; Olivier Mentre","Inorganic Polar Blocks into Controlled Acentric Assemblies","Inorganic Chemistry","2012","51","","9557","9562","10.1021/ic3014305","","","0.71069","MoKα","","0.0784","0.0459","","","0.0488","0.0813","","","","1.86","1.86","2.56","","","","has coordinates,has Fobs","179405","2020-10-21","18:00:00",""
"4330278","11.5048","0.001","5.4565","0.0006","41.656","0.003","90","","90","","90","","2615","0.4","296","2","296","2","","","","","","","","5","B b m 2","B 2 -2b","40","","","","- Bi39.615 Cu5.671 Li6.72 O120 P20 -","- Bi39.616 Cu5.664 Li6.72 O120 P20 -","- Bi39.616 Cu5.664 Li6.72 O120 P20 -","1","0.125","","Diana Endara; Marie Colmont; Marielle Huvé; Frederic Capet; Julien Lejay; P. Aschehoug; Olivier Mentre","Inorganic Polar Blocks into Controlled Acentric Assemblies","Inorganic Chemistry","2012","51","","9557","9562","10.1021/ic3014305","","x-ray","0.71069","","","0.0877","0.0487","","","0.0604","0.0697","","","","1.54","1.54","1.41","","","","has coordinates,has Fobs","179405","2020-10-21","18:00:00",""
"4330279","10.1856","0.001","14.8529","0.0015","17.2877","0.0018","90","","91.214","0.002","90","","2614.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H42 Cl3.91 N O Tc0.95 -","- C19 H42 Cl3.9069 N O Tc0.95345 -","- C76 H168 Cl15.6276 N4 O4 Tc3.8138 -","4","1","","Frederic Poineau; Erik V. Johnstone; Paul M. Forster; Longzou Ma; Alfred P. Sattelberger; Kenneth R. Czerwinski","Probing the Presence of Multiple Metal-Metal Bonds in Technetium Chlorides by X-ray Absorption Spectroscopy: Implications for Synthetic Chemistry","Inorganic Chemistry","2012","51","","9563","9570","10.1021/ic3014859","","","0.71073","MoKα","","0.0356","0.0296","","","0.0684","0.0711","","","","","","1.12","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330280","21.815","0.003","14.7166","0.0019","16.908","0.002","90","","92.09","0.002","90","","5424.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H78 Cl14 N2 O0 Tc2 -","- C35 H78 Cl14 N2 Tc2 -","- C140 H312 Cl56 N8 Tc8 -","4","1","","Frederic Poineau; Erik V. Johnstone; Paul M. Forster; Longzou Ma; Alfred P. Sattelberger; Kenneth R. Czerwinski","Probing the Presence of Multiple Metal-Metal Bonds in Technetium Chlorides by X-ray Absorption Spectroscopy: Implications for Synthetic Chemistry","Inorganic Chemistry","2012","51","","9563","9570","10.1021/ic3014859","","","0.71073","MoKα","","0.0957","0.0742","","","0.1913","0.1998","","","","","","1.082","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330281","10.453","0.001","19.0104","0.0019","11.7359","0.0012","90","","94.083","0.001","90","","2326.2","0.4","141","2","141","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 N8 O18 Pu -","- C32 H72 N8 O18 Pu -","- C64 H144 N16 O36 Pu2 -","2","0.5","","Sean D. Reilly; Brian L. Scott; Andrew J. Gaunt","[N(n-Bu)4]2[Pu(NO3)6] and [N(n-Bu)4]2[PuCl6]: Starting Materials To Facilitate Nonaqueous Plutonium(IV) Chemistry","Inorganic Chemistry","2012","51","","9165","9167","10.1021/ic301518g","","","0.71073","MoKα","","0.0389","0.0214","","","0.0449","0.0474","","","","","","1.362","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330282","16.29","0.003","15.74","0.003","17.984","0.003","90","","112.77","0.002","90","","4251.8","1.3","141","2","141","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Cl6 N2 Pu -","- C32 H72 Cl6 N2 Pu -","- C128 H288 Cl24 N8 Pu4 -","4","1","","Sean D. Reilly; Brian L. Scott; Andrew J. Gaunt","[N(n-Bu)4]2[Pu(NO3)6] and [N(n-Bu)4]2[PuCl6]: Starting Materials To Facilitate Nonaqueous Plutonium(IV) Chemistry","Inorganic Chemistry","2012","51","","9165","9167","10.1021/ic301518g","","","0.71073","MoKα","","0.043","0.0352","","","0.0883","0.0902","","","","","","1.889","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330283","59.446","0.004","8.5306","0.0006","26.227","0.002","90","","102.078","0.004","90","","13005.6","1.6","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","jg01c","jg01c","","- C123.61 H159.83 Br8 Fe4 N12 O5.31 -","- C123.616 H159.848 Br8 Fe4 N12 O5.308 -","- C494.464 H639.392 Br32 Fe16 N48 O21.232 -","4","0.5","","Zachary Thammavongsy; Takele Seda; Lev N. Zakharov; Werner Kaminsky; John D. Gilbertson","Ligand-Based Reduction of CO2and Release of CO on Iron(II)","Inorganic Chemistry","2012","51","","9168","9170","10.1021/ic3015404","","","0.71073","MoKα","","0.132","0.0871","","","0.1899","0.215","","","","","","1.118","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330284","12.3781","0.0013","16.5543","0.0017","14.2318","0.0015","90","","92.064","0.002","90","","2914.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Fe N3 O3 -","- C31 H35 Fe N3 O3 -","- C124 H140 Fe4 N12 O12 -","4","1","","Zachary Thammavongsy; Takele Seda; Lev N. Zakharov; Werner Kaminsky; John D. Gilbertson","Ligand-Based Reduction of CO2and Release of CO on Iron(II)","Inorganic Chemistry","2012","51","","9168","9170","10.1021/ic3015404","","","0.71073","MoKα","","0.0531","0.0418","","","0.1103","0.121","","","","","","1.084","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330285","10.1179","0.0006","16.2161","0.0009","18.3258","0.001","90","","93.863","0.001","90","","2999.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Cl2 Fe N3 O2 -","- C29 H35 Cl2 Fe N3 O -","- C116 H140 Cl8 Fe4 N12 O4 -","4","1","","Zachary Thammavongsy; Takele Seda; Lev N. Zakharov; Werner Kaminsky; John D. Gilbertson","Ligand-Based Reduction of CO2and Release of CO on Iron(II)","Inorganic Chemistry","2012","51","","9168","9170","10.1021/ic3015404","","","0.71073","MoKα","","0.0546","0.0486","","","0.1165","0.1197","","","","","","1.066","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330286","12.958","0.0003","15.2","0.0004","16.468","0.0004","74.85","0.002","66.944","0.002","71.621","0.002","2796.72","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H72 Dy N9 O24 -","- C46 H51 Dy N9 O24 -","- C92 H102 Dy2 N18 O48 -","2","1","","Asamanjoy Bhunia; Michael T. Gamer; Liviu Ungur; Liviu F. Chibotaru; Annie K. Powell; Yanhua Lan; Peter W. Roesky; Fabian Menges; Christoph Riehn; Gereon Niedner-Schatteburg","From a Dy(III) Single Molecule Magnet (SMM) to a Ferromagnetic [Mn(II)Dy(III)Mn(II)] Trinuclear Complex","Inorganic Chemistry","2012","51","","9589","9597","10.1021/ic300065x","","","0.71073","MoKα","","0.0449","0.0429","","","0.1185","0.1199","","","","","","1.063","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330287","10.8248","0.0003","15.9097","0.0005","19.8563","0.0006","77.331","0.003","85.548","0.003","73.002","0.002","3190.3","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H80 Cl Dy Mn2 N10 O18 -","- C56 H76 Cl Dy Mn2 N10 O18 -","- C112 H152 Cl2 Dy2 Mn4 N20 O36 -","2","1","","Asamanjoy Bhunia; Michael T. Gamer; Liviu Ungur; Liviu F. Chibotaru; Annie K. Powell; Yanhua Lan; Peter W. Roesky; Fabian Menges; Christoph Riehn; Gereon Niedner-Schatteburg","From a Dy(III) Single Molecule Magnet (SMM) to a Ferromagnetic [Mn(II)Dy(III)Mn(II)] Trinuclear Complex","Inorganic Chemistry","2012","51","","9589","9597","10.1021/ic300065x","","","0.71073","MoKα","","0.0518","0.0384","","","0.0937","0.1013","","","","","","1.058","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330288","16.59","0.004","27.137","0.006","18.215","0.004","90","","98.667","0.005","90","","8107","3","295","2","295","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","tetrakis(dmpu)oxovanadium(IV) triflate","tetrakis(N,N-dimethylpropyleneurea)oxovanadium(IV) trifluoromethanesulfonate","","- C26 H48 F6 N8 O11 S2 V -","- C26 H48 F6 N8 O11 S2 V -","- C208 H384 F48 N64 O88 S16 V8 -","8","2","","Joanna Krakowiak; Daniel Lundberg; Ingmar Persson","A Coordination Chemistry Study of Hydrated and Solvated Cationic Vanadium Ions in Oxidation States +III, +IV, and +V in Solution and Solid State","Inorganic Chemistry","2012","51","","9598","9609","10.1021/ic300202f","","x-ray","0.71073","MoKα","","0.2013","0.0904","","","0.2299","0.2948","","","","","","0.931","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330289","9.7598","0.0011","7.865","0.0009","10.2154","0.0011","90","","102.555","0.002","90","","765.39","0.15","295","2","295","2","","","","","","","synthesized","6","P 1 21/m 1","-P 2yb","11","pentaaquaoxovanadium(IV) triflate","pentaaquaoxovanadium(IV) trifluoromethanesulfonate","","- C2 H10 F6 O12 S2 V -","- C2 H10 F6 O12 S2 V -","- C4 H20 F12 O24 S4 V2 -","2","0.5","","Joanna Krakowiak; Daniel Lundberg; Ingmar Persson","A Coordination Chemistry Study of Hydrated and Solvated Cationic Vanadium Ions in Oxidation States +III, +IV, and +V in Solution and Solid State","Inorganic Chemistry","2012","51","","9598","9609","10.1021/ic300202f","","x-ray","0.71073","MoKα","","0.0454","0.0392","","","0.1035","0.1062","","","","","","0.992","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330290","11.0482","0.0015","10.8796","0.0015","24.928","0.003","90","","109.297","0.005","90","","2828","0.7","295","2","295","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","pentakis(dmso)oxovanadium(IV) perchlorate","pentakis(dimethylsulfoxide)oxovanadium(IV) perchlorate","","- C10 H30 Cl2 O14 S5 V -","- C10 H30 Cl2 O14 S5 V -","- C40 H120 Cl8 O56 S20 V4 -","4","1","","Joanna Krakowiak; Daniel Lundberg; Ingmar Persson","A Coordination Chemistry Study of Hydrated and Solvated Cationic Vanadium Ions in Oxidation States +III, +IV, and +V in Solution and Solid State","Inorganic Chemistry","2012","51","","9598","9609","10.1021/ic300202f","","x-ray","0.71073","MoKα","","0.1324","0.0735","","","0.1948","0.2255","","","","","","0.928","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330291","13.756","0.003","6.436","0.0012","24.66","0.004","90","","92.291","0.004","90","","2181.5","0.7","295","2","295","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","tetrakis(dmso)dioxovanadium triflate","tetrakis(dimethylsulfoxide)dioxovanadium(V) triflate","","- C9 H24 F3 O9 S5 V -","- C9 H24 F3 O9 S5 V -","- C36 H96 F12 O36 S20 V4 -","4","1","","Joanna Krakowiak; Daniel Lundberg; Ingmar Persson","A Coordination Chemistry Study of Hydrated and Solvated Cationic Vanadium Ions in Oxidation States +III, +IV, and +V in Solution and Solid State","Inorganic Chemistry","2012","51","","9598","9609","10.1021/ic300202f","","x-ray","0.71073","MoKα","","0.2107","0.0793","","","0.1114","0.1466","","","","","","0.974","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330292","15.9635","0.0002","19.9741","0.0003","7.2126","0.0001","90","","95.3854","0.0007","90","","2289.63","0.05","293","","293","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H16 Ce N O34 U4 -","- C32 H16 Ce N O34 U4 -","- C64 H32 Ce2 N2 O68 U8 -","2","0.5","","Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau","Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers","Inorganic Chemistry","2012","51","","9610","9618","10.1021/ic3005757","","","0.71069","MoKα","","0.0694","0.0594","","","0.0793","0.0799","","","","4.15","4.15","3.8","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4330293","15.9634","0.0006","19.9848","0.0008","7.1993","0.0003","90","","95.4302","0.0019","90","","2286.45","0.16","293","","293","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H16 N Nd O33 U4 -","- C32 H16 N Nd O33 U4 -","- C64 H32 N2 Nd2 O66 U8 -","2","0.5","","Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau","Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers","Inorganic Chemistry","2012","51","","9610","9618","10.1021/ic3005757","","","0.71069","MoKα","","0.1507","0.0561","","","0.0562","0.0789","","","","1.43","1.43","1.35","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4330294","10.9229","0.0002","11.5371","0.0003","13.4516","0.0003","69.502","0.0005","80.049","0.0006","62.253","0.0005","1405.14","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H6 Ce2 O47 U3 -","- C30 H6 Ce2 O47 U3 -","- C30 H6 Ce2 O47 U3 -","1","0.5","","Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau","Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers","Inorganic Chemistry","2012","51","","9610","9618","10.1021/ic3005757","","","0.71069","MoKα","","0.038","0.0332","","","0.05","0.0505","","","","2.51","2.51","2.38","","","","has coordinates,has Fobs","179405","2020-10-21","18:00:00",""
"4330295","10.8981","0.0013","11.5452","0.0014","13.4086","0.0016","69.399","0.003","79.959","0.003","62.242","0.002","1397.4","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H6 Nd2 O47 U3 -","- C30 H6 Nd2 O47 U3 -","- C30 H6 Nd2 O47 U3 -","1","0.5","","Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau","Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers","Inorganic Chemistry","2012","51","","9610","9618","10.1021/ic3005757","","","0.71073","MoKα","","0.0456","0.0304","","","0.0418","0.043","","","","1.8","1.8","1.62","","","","has coordinates,has Fobs","179405","2020-10-21","18:00:00",""
"4330296","15.8523","0.0008","8.3188","0.0005","21.5884","0.0012","90","","90","","90","","2846.9","0.3","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H0 Ce O29 U2 -","- C12 Ce O29 U2 -","- C48 Ce4 O116 U8 -","4","1","","Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau","Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers","Inorganic Chemistry","2012","51","","9610","9618","10.1021/ic3005757","","","0.71073","MoKα","","0.0612","0.0365","","","0.0375","0.04","","","","1.39","1.39","1.25","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4330297","15.8367","0.0008","8.3203","0.0006","21.5047","0.0003","90","","90","","90","","2833.6","0.3","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H0 Nd O29 U2 -","- C12 Nd O29 U2 -","- C48 Nd4 O116 U8 -","4","1","","Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau","Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers","Inorganic Chemistry","2012","51","","9610","9618","10.1021/ic3005757","","","0.71073","MoKα","","0.0443","0.0313","","","0.0351","0.0375","","","","1.05","1.05","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4330298","22.5663","0.0014","22.5663","0.0014","13.8877","0.0018","90","","90","","90","","7072.1","1.1","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C62 H74 Cd2 N6 O25 -","- C62 H74 Cd2 N6 O25 -","- C248 H296 Cd8 N24 O100 -","4","0.5","","Yan-An Li; Shu-Kui Ren; Qi-Kui Liu; Jian-Ping Ma; Xueyuan Chen; Haomiao Zhu; Yu-Bin Dong","Encapsulation and Sensitization of UV-vis and Near Infrared Lanthanide Hydrate Emitters for Dual- and Bimodal-Emissions in Both Air and Aqueous Media Based on a Porous Heteroatom-Rich Cd(II)-Framework","Inorganic Chemistry","2012","51","","9629","9635","10.1021/ic300665a","","","0.71073","MoKα","","0.0399","0.0378","","","0.0933","0.0945","","","","","","1.106","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330299","10.491","0.002","14.109","0.003","12.903","0.003","90","","101.82","0.03","90","","1869.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N8 O6 -","- C44 H36 N8 O6 -","- C88 H72 N16 O12 -","2","0.5","","Ya-Ping Li; Hua-Rong Yang; Qiang Zhao; Wei-Chao Song; Jie Han; Xian-He Bu","Ratiometric and Selective Fluorescent Sensor for Zn2+ as an ""Off-On-Off"" Switch and Logic Gate","Inorganic Chemistry","2012","51","","9642","9648","10.1021/ic300738e","","","0.71073","MoKα","","0.2011","0.0932","","","0.1474","0.1836","","","","","","1.053","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330300","11.916","0.006","12.247","0.007","22.673","0.011","97.909","0.004","91.418","0.008","112.819","0.009","3010","3","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Cl8 N10 O8 Zn2 -","- C50 H46 Cl8 N10 O8 Zn2 -","- C100 H92 Cl16 N20 O16 Zn4 -","2","1","","Ya-Ping Li; Hua-Rong Yang; Qiang Zhao; Wei-Chao Song; Jie Han; Xian-He Bu","Ratiometric and Selective Fluorescent Sensor for Zn2+ as an ""Off-On-Off"" Switch and Logic Gate","Inorganic Chemistry","2012","51","","9642","9648","10.1021/ic300738e","","","0.71073","MoKα","","0.0724","0.0645","","","0.1756","0.1821","","","","","","1.047","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330301","27.302","0.0013","15.9448","0.0006","21.0207","0.0012","90","","95.461","0.004","90","","9109.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 N2 O12 Zn2 -","- C34 H29 N2 O12 Zn2 -","- C272 H232 N16 O96 Zn16 -","8","1","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Tuning MOF Stability and Porosity via Adding Rigid Pillars","Inorganic Chemistry","2012","51","","9649","9654","10.1021/ic300778m","","","0.71073","MoKα","","0.1337","0.1281","","","0.3489","0.3523","","","","","","1.058","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330302","16.7758","0.0006","11.0644","0.0003","22.4317","0.0008","90","","90","","90","","4163.6","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C41 H24 N3 O11 Zn2 -","- C41 H24 N3 O11 Zn2 -","- C164 H96 N12 O44 Zn8 -","4","0.5","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Tuning MOF Stability and Porosity via Adding Rigid Pillars","Inorganic Chemistry","2012","51","","9649","9654","10.1021/ic300778m","","","0.71073","MoKα","","0.0714","0.0558","","","0.1597","0.178","","","","","","1.088","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330303","33.025","0.007","15.919","0.003","20.831","0.005","90","","122.187","0.007","90","","9268","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Cu2 N2 O11 -","- C36 H27 Cu2 N2 O11 -","- C288 H216 Cu16 N16 O88 -","8","1","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Tuning MOF Stability and Porosity via Adding Rigid Pillars","Inorganic Chemistry","2012","51","","9649","9654","10.1021/ic300778m","","","0.71073","MoKα","","0.1336","0.1162","","","0.3225","0.337","","","","","","1.109","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330304","10.5959","0.0003","3.72504","0.00011","6.16597","0.00019","90","","105.862","0.003","90","","234.105","0.012","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C2 Co N2 S2 -","- C2 Co N2 S2 -","- C4 Co2 N4 S4 -","2","0.25","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","powder diffraction","","0.699944","synchrotron","","","","","","","","","","1.304","","","","","","","has coordinates,has Fobs","179406","2020-10-21","18:00:00",""
"4330305","14.2343","0.0005","17.2526","0.001","7.2908","0.0003","90","","90","","90","","1790.47","0.14","295","","300","","","","","","","","","3","C m m m","-C 2 2","65","","","","- C12 Co N8 -","- C17.848 Cl1.28 Co N8 -","- C35.696 Cl2.56 Co2 N16 -","2","0.125","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","powder diffraction","","0.7","synchrotron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","179406","2020-10-21","18:00:00",""
"4330306","7.8809","0.0003","11.4483","0.0005","11.5662","0.0004","90","","100.146","0.004","90","","1027.22","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Fe N8 O2 -","- C18 H12 Fe N8 O2 -","- C36 H24 Fe2 N16 O4 -","2","0.5","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","powder diffraction","","0.69938","synchrotron","","","","","","","","","","2.058","","","","","","","has coordinates,has Fobs","179406","2020-10-21","18:00:00",""
"4330307","7.8212","0.0002","11.6487","0.0003","11.6871","0.0003","90","","99.055","0.003","90","","1051.5","0.05","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Mn N8 O2 -","- C18 H12 Mn N8 O2 -","- C36 H24 Mn2 N16 O4 -","2","0.5","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","powder diffraction","","0.69938","synchrotron","","","","","","","","","","1.649","","","","","","","has coordinates,has Fobs","179406","2020-10-21","18:00:00",""
"4330308","7.9191","0.0002","11.3882","0.0003","11.4825","0.0003","90","","100.558","0.003","90","","1018.01","0.05","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N8 O2 -","- C18 H12 Co N8 O2 -","- C36 H24 Co2 N16 O4 -","2","0.5","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","powder diffraction","","0.7","synchrotron","","","","","","","","","","1.6","","","","","","","has coordinates,has Fobs","179406","2020-10-21","18:00:00",""
"4330309","5.734","0.004","7.769","0.005","7.82","0.005","107.905","0.009","99.027","0.009","98.315","0.009","320.4","0.4","121","2","121","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cr N2 O2 S2 -","- C8 H12 Cr N2 O2 S2 -","- C8 H12 Cr N2 O2 S2 -","1","0.5","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","","","0.71073","MoKα","","0.0306","0.0295","","","0.0765","0.0773","","","","","","1.041","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330310","5.7215","0.0008","7.6941","0.0011","7.8456","0.0012","109.864","0.002","99.983","0.002","97.286","0.002","313.41","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Fe N2 O2 S2 -","- C8 H12 Fe N2 O2 S2 -","- C8 H12 Fe N2 O2 S2 -","1","0.5","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","","","0.71073","MoKα","","0.0285","0.0278","","","0.0719","0.0722","","","","","","0.997","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330311","5.801","0.008","7.874","0.01","8.036","0.012","110.69","0.03","99.104","0.016","97.89","0.03","331.6","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Mn N2 O2 S2 -","- C8 H12 Mn N2 O2 S2 -","- C8 H12 Mn N2 O2 S2 -","1","0.5","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","","","0.71073","MoKα","","0.0666","0.0635","","","0.1736","0.1774","","","","","","1.019","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330312","25.448","0.004","13.497","0.002","14.724","0.002","90","","90","","90","","5057.3","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","1.L1","","","- C48 H52 Mg N14 O8 -","- C48 H52 Mg N14 O8 -","- C192 H208 Mg4 N56 O32 -","4","0.5","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands","Inorganic Chemistry","2012","51","","9666","9676","10.1021/ic300826p","","","0.71073","MoKα","","0.1119","0.0751","","","0.1836","0.2102","","","","","","1.036","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330313","18.091","0.002","18.431","0.002","30.877","0.004","90","","90","","90","","10295","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1.L4","","","- C101 H104 Cl2 Mg2 N26 O16 -","- C101 H104 Cl2 Mg2 N26 O16 -","- C404 H416 Cl8 Mg8 N104 O64 -","4","0.5","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands","Inorganic Chemistry","2012","51","","9666","9676","10.1021/ic300826p","","","0.71073","MoKα","","0.1078","0.0735","","","0.181","0.2113","","","","","","1.029","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330314","19.449","0.005","19.449","0.005","23.283","0.005","90","0.005","90","0.005","90","0.005","8807","4","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","1.L3","","","- C46 H48 Mg N10 O8 -","- C46 H48 Mg N10 O8 -","- C368 H384 Mg8 N80 O64 -","8","0.5","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands","Inorganic Chemistry","2012","51","","9666","9676","10.1021/ic300826p","","","0.71069","MoKα","","0.0837","0.0513","","","0.1185","0.139","","","","","","1.03","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330315","16.9582","0.0012","16.9582","0.0012","19.6","0.003","90","","90","","90","","5636.6","1","100","2","100","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","1.L2","","","- C58 H56 Mg N12 O8 -","- C58 H56 Mg N12 O8 -","- C232 H224 Mg4 N48 O32 -","4","0.125","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands","Inorganic Chemistry","2012","51","","9666","9676","10.1021/ic300826p","","","0.71073","MoKα","","0.0724","0.0637","","","0.1585","0.1659","","","","","","1.124","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330316","27.248","0.004","15.771","0.002","23.201","0.005","90","","115.757","0.011","90","","8980","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1.L5","","","- C90 H94 Mg2 N22 O16 -","- C90 H94 Mg2 N22 O16 -","- C360 H376 Mg8 N88 O64 -","4","0.5","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands","Inorganic Chemistry","2012","51","","9666","9676","10.1021/ic300826p","","","0.71073","MoKα","","0.1352","0.075","","","0.1425","0.1677","","","","","","1.028","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330317","9.1762","0.0005","10.88","0.0006","18.2612","0.001","90","","91.957","0.001","90","","1822.08","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cd N2 O4 -","- C20 H17 Cd N2 O4 -","- C80 H68 Cd4 N8 O16 -","4","1","","Feng Guo; Fei Wang; Hui Yang; Xiuling Zhang; Jian Zhang","Tuning Structural Topologies of Three Photoluminescent Metal-Organic Frameworks via Isomeric Biphenyldicarboxylates","Inorganic Chemistry","2012","51","","9677","9682","10.1021/ic3008969","","","0.71073","MoKα","","0.0216","0.0194","","","0.049","0.0504","","","","","","1.03","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330318","8.604","0.0011","15.769","0.0012","17.344","0.0012","87.03","0.0008","83.939","0.0011","80.751","0.0012","2308.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 Cd2 N6 O10 -","- C46 H45 Cd2 N6 O10 -","- C92 H90 Cd4 N12 O20 -","2","1","","Feng Guo; Fei Wang; Hui Yang; Xiuling Zhang; Jian Zhang","Tuning Structural Topologies of Three Photoluminescent Metal-Organic Frameworks via Isomeric Biphenyldicarboxylates","Inorganic Chemistry","2012","51","","9677","9682","10.1021/ic3008969","","","0.71069","MoKα","","0.0588","0.0466","","","0.1248","0.1328","","","","","","1.057","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330319","19.344","0.005","16.594","0.005","15.392","0.004","90","","94.319","0.004","90","","4927","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Cd2 N8 O8 -","- C52 H52 Cd2 N8 O8 -","- C208 H208 Cd8 N32 O32 -","4","1","","Feng Guo; Fei Wang; Hui Yang; Xiuling Zhang; Jian Zhang","Tuning Structural Topologies of Three Photoluminescent Metal-Organic Frameworks via Isomeric Biphenyldicarboxylates","Inorganic Chemistry","2012","51","","9677","9682","10.1021/ic3008969","","","0.71073","MoKα","","0.1128","0.0504","","","0.0891","0.105","","","","","","1.078","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330320","10.9796","0.0007","12.2163","0.0007","18.3145","0.0013","96.882","0.007","105.104","0.007","102.724","0.007","2272.1","0.3","223","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H75 Cl2 Ir N2 O2 P2 -","- C43 H75 Cl2 Ir N2 O2 P2 -","- C86 H150 Cl4 Ir2 N4 O4 P4 -","2","1","","Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova","Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide","Inorganic Chemistry","2012","51","","9683","9693","10.1021/ic300923c","","","0.71075","MoKα","","","0.0541","","","","0.0922","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330321","11.5834","0.0016","12.2221","0.0016","13.2838","0.0018","90.472","0.006","106.509","0.007","102.999","0.007","1751.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 Ir N2 P2 -","- C41 H39 Ir N2 P2 -","- C82 H78 Ir2 N4 P4 -","2","1","","Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova","Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide","Inorganic Chemistry","2012","51","","9683","9693","10.1021/ic300923c","","","0.71075","MoKα","","0.0601","0.0415","","","0.0586","0.0624","","","","","","1.092","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330322","10.76","0.007","12.16","0.007","13.764","0.009","101.791","0.011","94.401","0.01","111.133","0.01","1621.9","1.8","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H37 Ir N2 P2 -","- C41 H37 Ir N2 P2 -","- C82 H74 Ir2 N4 P4 -","2","1","","Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova","Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide","Inorganic Chemistry","2012","51","","9683","9693","10.1021/ic300923c","","","0.71075","MoKα","","","0.0411","","","","0.0657","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330323","9.111","0.004","11.977","0.006","16.669","0.007","70.48","0.011","81.58","0.01","73.712","0.013","1642.8","1.3","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 Ir N O P2 -","- C41 H36 Ir N O P2 -","- C82 H72 Ir2 N2 O2 P4 -","2","1","","Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova","Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide","Inorganic Chemistry","2012","51","","9683","9693","10.1021/ic300923c","","","0.71075","MoKα","","","0.0477","","","","0.0759","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330324","19.2265","0.0014","15.8767","0.0012","15.0485","0.0011","90","","90","","90","","4593.6","0.6","223","","223","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C42.21 H40.42 B Cl2.42 F4 Ir N2 P2 -","- C42.21 H40.42 B Cl2.42 F4 Ir N2 P2 -","- C168.84 H161.68 B4 Cl9.68 F16 Ir4 N8 P8 -","4","0.5","","Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova","Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide","Inorganic Chemistry","2012","51","","9683","9693","10.1021/ic300923c","","","0.71075","MoKα","","","0.0589","","","","0.1174","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330325","11.729","0.004","12.9","0.005","15.653","0.006","96.745","0.009","101.43","0.008","109.434","0.008","2145.6","1.4","223","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H41 Cl4 Ir N2 O2 P2 -","- C44 H41 Cl4 Ir N2 O2 P2 -","- C88 H82 Cl8 Ir2 N4 O4 P4 -","2","1","","Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova","Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide","Inorganic Chemistry","2012","51","","9683","9693","10.1021/ic300923c","","","0.71075","MoKα","","","0.0552","","","","0.0812","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330326","13.269","0.009","13.481","0.008","14.591","0.011","66.345","0.02","71.92","0.02","78.945","0.019","2266","3","223","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H44 Cl5 Ir N2 O2 P2 -","- C45.5 H44 Cl5 Ir N2 O2 P2 -","- C91 H88 Cl10 Ir2 N4 O4 P4 -","2","1","","Graham E. Dobereiner; Jianguo Wu; Michael G. Manas; Nathan D. Schley; Michael K. Takase; Robert H. Crabtree; Nilay Hazari; Feliu Maseras; Ainara Nova","Mild, Reversible Reaction of Iridium(III) Amido Complexes with Carbon Dioxide","Inorganic Chemistry","2012","51","","9683","9693","10.1021/ic300923c","","","0.71075","MoKα","","","0.0559","","","","0.115","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330327","7.1185","0.0003","11.4181","0.0004","11.6674","0.0004","94.823","0.003","106.643","0.002","100.403","0.003","884.33","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N4 O3 -","- C20 H16 N4 O3 -","- C40 H32 N8 O6 -","2","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1026","0.0599","","","0.1771","0.2059","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330328","16.499","0.003","14.1","0.003","16.128","0.003","90","","100.5","0.03","90","","3689.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cl4 Co2 N8 O3 -","- C38 H30 Cl4 Co2 N8 O3 -","- C152 H120 Cl16 Co8 N32 O12 -","4","0.5","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1172","0.0992","","","0.2685","0.2854","","","","","","1.021","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330329","16.6042","0.0005","14.1842","0.0004","16.1787","0.0005","90","","100.774","0.002","90","","3743.2","0.19","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cl2 Fe N4 O -","- C18 H12 Cl2 Fe N4 O -","- C144 H96 Cl16 Fe8 N32 O8 -","8","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.041","0.032","","","0.0879","0.092","","","","","","1.073","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330330","8.6909","0.0003","13.0082","0.0004","15.5753","0.0006","90","","97.062","0.003","90","","1747.48","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl4 Co2 N8 -","- C36 H26 Cl4 Co2 N8 -","- C72 H52 Cl8 Co4 N16 -","2","0.5","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.084","0.0437","","","0.1023","0.1185","","","","","","1.002","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330331","11.6913","0.0012","14.5413","0.0013","19.066","0.002","90","","100.655","0.009","90","","3185.5","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H26 Cl2 Cu2 N8 -","- C36 H26 Cl2 Cu2 N8 -","- C144 H104 Cl8 Cu8 N32 -","4","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1473","0.0901","","","0.2341","0.2682","","","","","","1.062","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330332","9.2174","0.0004","9.4861","0.0004","9.9179","0.0004","89.205","0.002","84.97","0.002","82.38","0.002","856.22","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Cl4 Fe2 N8 -","- C36 H26 Cl4 Fe2 N8 -","- C36 H26 Cl4 Fe2 N8 -","1","0.5","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.0484","0.0327","","","0.0805","0.0885","","","","","","1.019","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330333","11.3315","0.0015","11.8754","0.0016","16.688","0.002","97.703","0.002","99.974","0.002","99.862","0.002","2147.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Cl3 Cu2 N10 O2 -","- C46 H40 Cl3 Cu2 N10 O2 -","- C92 H80 Cl6 Cu4 N20 O4 -","2","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1883","0.1352","","","0.3846","0.412","","","","","","1.471","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330334","14.9373","0.0017","16.3418","0.0018","34.928","0.004","90","","90","","90","","8526","1.7","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C84 H56 Cl12 Cu8 N20 -","- C84 H56 Cl12 Cu8 N20 -","- C336 H224 Cl48 Cu32 N80 -","4","0.5","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1189","0.0884","","","0.23","0.249","","","","","","1.074","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330335","17.551","0.005","14.52","0.004","18.101","0.005","90","","90","","90","","4613","2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H34 Cl4 Fe2 N10 O -","- C44 H34 Cl4 Fe2 N10 O -","- C176 H136 Cl16 Fe8 N40 O4 -","4","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.0978","0.0724","","","0.1879","0.2143","","","","","","1.096","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330336","8.2498","0.0008","11.6208","0.0011","39.24","0.004","90","","94.568","0.007","90","","3750","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N10 O -","- C44 H32 N10 O -","- C176 H128 N40 O4 -","4","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.2086","0.0917","","","0.2421","0.3173","","","","","","1.032","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330337","17.4656","0.0019","14.5552","0.0016","18.158","0.002","90","","90","","90","","4616","0.9","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H34 Cl4 Co2 N10 O -","- C44 H34 Cl4 Co2 N10 O -","- C176 H136 Cl16 Co8 N40 O4 -","4","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1866","0.0833","","","0.1926","0.247","","","","","","0.997","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330338","16.6209","0.0006","16.2951","0.0006","10.3931","0.0004","90","","90","","90","","2814.86","0.18","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H27 Cl Cu N7 O -","- C32 H27 Cl Cu N7 O -","- C128 H108 Cl4 Cu4 N28 O4 -","4","0.5","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.0648","0.0441","","","0.1229","0.1364","","","","","","1.062","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330339","10.722","0.002","11.3079","0.0012","12.7308","0.0013","113.741","0.006","108.325","0.009","93.214","0.009","1311.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 Cl2 Fe N7 -","- C30 H21 Cl2 Fe N7 -","- C60 H42 Cl4 Fe2 N14 -","2","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1628","0.1196","","","0.3368","0.3546","","","","","","1.221","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330340","8.1394","0.0013","12.304","0.0019","17.638","0.003","91.17","0.01","102.963","0.01","93.848","0.01","1716.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 Co N4 -","- C18 H14 Cl2 Co N4 -","- C72 H56 Cl8 Co4 N16 -","4","2","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.2124","0.0853","","","0.187","0.236","","","","","","0.972","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330341","17.812","0.005","31.648","0.008","20.691","0.006","90","","107.847","0.004","90","","11103","5","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C190 H302 Fe20 N8 O76 -","- C190 H266 Fe20 N6 O76 -","- C380 H532 Fe40 N12 O152 -","2","0.5","","Yong-Fei Zeng; Xin Hu; Li Xue; Sui-Jun Liu; Tong-Liang Hu; Xian-He Bu","Fe20 Cluster Units Based Coordination Polymer from in Situ Ligand Conversion and Trapping of an Intermediate","Inorganic Chemistry","2012","51","","9571","9573","10.1021/ic300963z","","","0.71073","MoKα","","0.1783","0.1319","","","0.3227","0.3575","","","","","","1.133","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330342","17.812","0.005","31.648","0.008","20.691","0.006","90","","107.847","0.004","90","","11103","5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C190 H302 Fe20 N6 O76 -","- C186 H288 Fe20 N4 O76 -","- C372 H576 Fe40 N8 O152 -","2","0.5","","Yong-Fei Zeng; Xin Hu; Li Xue; Sui-Jun Liu; Tong-Liang Hu; Xian-He Bu","Fe20 Cluster Units Based Coordination Polymer from in Situ Ligand Conversion and Trapping of an Intermediate","Inorganic Chemistry","2012","51","","9571","9573","10.1021/ic300963z","","","0.71073","MoKα","","0.1695","0.1215","","","0.3041","0.3437","","","","","","1.147","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330343","17.362","0.004","17.138","0.003","9.993","0.002","90","","116.91","0.03","90","","2651.5","1.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- Bi2 Cl Cs3 K Mn4 O24 P6 -","- Bi2 Cl Cs3 K Mn4 O24 P6 -","- Bi8 Cl4 Cs12 K4 Mn16 O96 P24 -","4","1","","J. Palmer West; Dino Sulejmanovic; Shiou-Jyh Hwu; Jian He; Don VanDerveer; B. Keith Johnson","Synthesis and Structure of Bismuth(III)-Containing Noncentrosymmetric Phosphates, Cs3KBi2M4(PO4)6Cl (M = Mn, Fe). Monoclinic (Cc) and Tetragonal (P43) Polymorphs Templated by Chlorine-Centered Cl(Bi2Cs) Acentric Units","Inorganic Chemistry","2012","51","","9723","9729","10.1021/ic3010129","","","0.71073","MoKα","","0.0585","0.0511","","","0.124","0.1313","","","","","","1.063","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330344","12.2098","0.0017","12.2098","0.0017","17.848","0.004","90","","90","","90","","2660.8","0.8","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- Bi2 Cl Cs3 K Mn4 O24 P6 -","- Bi2 Cl Cs3 K Mn4 O24 P6 -","- Bi8 Cl4 Cs12 K4 Mn16 O96 P24 -","4","1","","J. Palmer West; Dino Sulejmanovic; Shiou-Jyh Hwu; Jian He; Don VanDerveer; B. Keith Johnson","Synthesis and Structure of Bismuth(III)-Containing Noncentrosymmetric Phosphates, Cs3KBi2M4(PO4)6Cl (M = Mn, Fe). Monoclinic (Cc) and Tetragonal (P43) Polymorphs Templated by Chlorine-Centered Cl(Bi2Cs) Acentric Units","Inorganic Chemistry","2012","51","","9723","9729","10.1021/ic3010129","","","0.71073","MoKα","","0.0573","0.0528","","","0.1335","0.138","","","","","","1.119","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330345","17.167","0.003","17.089","0.003","9.928","0.002","90","","116.66","0.03","90","","2602.9","1.1","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- Bi2 Cl Cs3 Fe4 K O24 P6 -","- Bi2 Cl Cs3 Fe4 K O24 P6 -","- Bi8 Cl4 Cs12 Fe16 K4 O96 P24 -","4","1","","J. Palmer West; Dino Sulejmanovic; Shiou-Jyh Hwu; Jian He; Don VanDerveer; B. Keith Johnson","Synthesis and Structure of Bismuth(III)-Containing Noncentrosymmetric Phosphates, Cs3KBi2M4(PO4)6Cl (M = Mn, Fe). Monoclinic (Cc) and Tetragonal (P43) Polymorphs Templated by Chlorine-Centered Cl(Bi2Cs) Acentric Units","Inorganic Chemistry","2012","51","","9723","9729","10.1021/ic3010129","","","0.71073","MoKα","","0.0501","0.0482","","","0.1171","0.1192","","","","","","1.099","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330346","15.7122","0.0005","14.9191","0.0005","22.5318","0.0008","90","","104.322","0.001","90","","5117.6","0.3","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[HPNPRu(N2)Cl]2(BF4)2 (2)","","","- C33 H76 B2 Cl4 F8 N6 P4 Ru2 -","- C33 H76 B2 Cl4 F8 N6 P4 Ru2 -","- C132 H304 B8 Cl16 F32 N24 P16 Ru8 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.0347","0.0267","","","0.0707","0.0853","","","","","","1.131","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330347","11.8002","0.0004","13.218","0.0004","22.3853","0.0007","83.049","0.002","80.921","0.002","67.533","0.002","3179.05","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(HPNPRuCl)2(H2NNH2)](BF4)2 (3a)","","","- C36 H82 B2 Cl14 F8 N4 P4 Ru2 -","- C36 H82 B2 Cl14 F8 N4 P4 Ru2 -","- C72 H164 B4 Cl28 F16 N8 P8 Ru4 -","2","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.1079","0.0625","","","0.147","0.1725","","","","","","1.061","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330348","13.171","0.005","18.485","0.005","40.465","0.005","90","","90","","90","","9852","5","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[(HPNPRuCl)2(H2NNH2)](BF4)2 (3b)","","","- C32 H78 B2 Cl2 F8 N4 P4 Ru2 -","- C32 H78 B2 Cl2 F8 N4 P4 Ru2 -","- C256 H624 B16 Cl16 F64 N32 P32 Ru16 -","8","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71069","MoKα","","0.098","0.076","","","0.1617","0.1703","","","","","","1.192","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330349","10.1804","0.0006","27.0385","0.0018","18.0234","0.0011","90","","93.132","0.003","90","","4953.8","0.5","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","[(HPNPRuCl)2(PhNNH)](BF4)2 (4)","","","- C38 H80 B2 Cl2 F8 N4 P4 Ru2 -","- C38 H80 B2 Cl2 F8 N4 P4 Ru2 -","- C152 H320 B8 Cl8 F32 N16 P16 Ru8 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.031","0.0285","","","0.0691","0.0706","","","","","","1.054","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330350","9.2003","0.0002","15.0373","0.0004","20.8396","0.0005","90","","90","","90","","2883.11","0.12","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[(HPNPRu(NH3)(H2NNH2)]Cl(BF4) (5)","","","- C17 H46 B Cl3 F4 N4 P2 Ru -","- C17 H46 B Cl3 F4 N4 P2 Ru -","- C68 H184 B4 Cl12 F16 N16 P8 Ru4 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.02","0.0199","","","0.0466","0.0466","","","","","","1.204","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330351","25.3447","0.0009","25.3447","0.0009","14.4707","0.0006","90","","90","","90","","9295.3","0.6","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","[(HPNPRu)2(Cl)3](BF4) (6)","","","- C32 H74 B Cl3 F4 N2 P4 Ru2 -","- C32 H74 B Cl3 F4 N2 P4 Ru2 -","- C256 H592 B8 Cl24 F32 N16 P32 Ru16 -","8","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.0425","0.0336","","","0.1011","0.1069","","","","","","1.235","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330352","16.2143","0.0006","16.7728","0.0007","18.0133","0.0007","90","","90","","90","","4898.9","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[(HPNP)Ru(H2)]2(BF4)2 (7)","","","- C33 H80 B2 Cl4 F8 N2 P4 Ru2 -","- C33 H80 B2 Cl4 F8 N2 P4 Ru2 -","- C132 H320 B8 Cl16 F32 N8 P16 Ru8 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.0437","0.0405","","","0.1058","0.1085","","","","","","1.103","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330353","11.7009","0.0005","12.2407","0.0005","17.5457","0.0007","90","","90","","90","","2513.02","0.18","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","[HPNPRuCl(CO)2](BF4) (8)","","","- C18 H37 B Cl F4 N O2 P2 Ru -","- C18 H37 B Cl F4 N O2 P2 Ru -","- C72 H148 B4 Cl4 F16 N4 O8 P8 Ru4 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.0175","0.0164","","","0.037","0.0377","","","","","","1.08","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330354","10.242","0.002","34.018","0.008","14.882","0.003","90","","103.049","0.004","90","","5051.2","1.9","144","2","144","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[(HPNPRu)2(Cl)2(SO3CF3)]SO3CF3 (9)","","","- C34 H74 Cl2 F6 N2 O6 P4 Ru2 S2 -","- C34 H74 Cl2 F6 N2 O6 P4 Ru2 S2 -","- C136 H296 Cl8 F24 N8 O24 P16 Ru8 S8 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.041","0.0318","","","0.0737","0.0795","","","","","","1.037","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330355","15.8722","0.0014","19.221","0.0017","19.4031","0.0017","90","","95.747","0.001","90","","5889.7","0.9","109","2","109","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(HPNPRu)2(Cl)3]BPh4 (10)","","","- C56 H94 B Cl3 N2 P4 Ru2 -","- C56 H94 B Cl3 N2 P4 Ru2 -","- C224 H376 B4 Cl12 N8 P16 Ru8 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.0962","0.0816","","","0.1803","0.1852","","","","","","1.376","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330356","9.864","0.001","12.33","0.0013","16.8483","0.0016","95.819","0.008","96.008","0.008","110.731","0.008","1884.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H58 N4 Ni -","- C41 H58 N4 Ni -","- C82 H116 N8 Ni2 -","2","1","","Claudia Köthe; Ramona Metzinger; Christian Herwig; Christian Limberg","Reductive Deprotonation and Dehydrogenation of Phenylhydrazine at a Nickel Center To Give a Nickel Diazenido Complex","Inorganic Chemistry","2012","51","","9740","9747","10.1021/ic301066x","","","0.71073","MoKα","","0.1107","0.0899","","","0.2214","0.238","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330357","18.6151","0.0006","12.2221","0.0003","19.5038","0.0007","90","","113.932","0.002","90","","4055.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H60 N4 Ni -","- C41 H60 N4 Ni -","- C164 H240 N16 Ni4 -","4","1","","Claudia Köthe; Ramona Metzinger; Christian Herwig; Christian Limberg","Reductive Deprotonation and Dehydrogenation of Phenylhydrazine at a Nickel Center To Give a Nickel Diazenido Complex","Inorganic Chemistry","2012","51","","9740","9747","10.1021/ic301066x","","","0.71073","MoKα","","0.0593","0.037","","","0.0818","0.0855","","","","","","0.839","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330358","9.12096","0.00066","6.14552","0.00054","6.62943","0.00052","90","","95.2296","0.0091","90","","370.05","0.05","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-(4,4'bipyrazolato)-bis-ag(i)","","- C6 H4 Ag2 N4 -","- C6 H4 Ag2 N4 -","- C12 H8 Ag4 N8 -","2","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330359","5.54196","0.0002","8.40976","0.00028","11.3237","0.00039","74.0854","0.0022","83.0807","0.0027","85.3833","0.0028","503.21","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","","catena-(4,4'-bipyrazolyl)-ag(i) nitrate aquo","","- C6 H8 Ag N5 O4 -","- C6 H6 Ag N5 O4 -","- C12 H12 Ag2 N10 O8 -","2","1","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330360","5.27077","0.0003","6.76852","0.00036","7.21407","0.00029","94.8177","0.0061","82.4034","0.0051","111.993","0.0027","236.37","0.02","473","","298","","","","","","","","","5","P -1","-P 1","2","","catena-(4,4'-bipyrazolyl)-ag(i) nitrate","","- C6 H6 Ag N5 O3 -","- C6 H6 Ag N5 O3 -","- C6 H6 Ag N5 O3 -","1","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330361","6.81989","0.00014","7.79667","0.00017","10.01358","0.00021","97.1234","0.002","104.341","0.0016","80.5017","0.0017","506.854","0.019","298","","298","","","","","","","","","6","P -1","-P 1","2","","catena-(4,4'-bipyrazolyl)-ag(i) perchlorate","","- C6 H6 Ag Cl N4 O4 -","- C6 H6 Ag Cl N4 O4 -","- C12 H12 Ag2 Cl2 N8 O8 -","2","1","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330362","5.27982","0.00014","7.80594","0.00021","13.16341","0.00042","90","","112.865","0.0016","90","","499.89","0.03","298","","298","","","","","","","","","6","P 1 c 1","P -2yc","7","","catena-(4,4'-bipyrazolyl)-ag(i) tetrafluoborate","","- C6 H6 Ag B F4 N4 -","- C6 H6 Ag B F4 N4 -","- C12 H12 Ag2 B2 F8 N8 -","2","1","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330363","5.28837","0.00021","9.70268","0.00039","11.65566","0.00046","101.794","0.0019","102.02","0.0031","105.059","0.0024","543.3","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","catena-(4,4'-bipyrazolyl)-ag(i) hexafluorophosphate","","- C6 H6 Ag F6 N4 P -","- C6 H6 Ag F6 N4 P -","- C12 H12 Ag2 F12 N8 P2 -","2","1","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330364","6.78052","0.00022","15.64636","0.00046","10.03918","0.00031","90","","90","","90","","1065.06","0.06","298","","298","","","","","","","","","6","P n n a","-P 2a 2bc","52","","catena-(4,4'-bipyrazolyl)-ag(i) methanesulfonate","","- C7 H9 Ag N4 O3 S -","- C7 H9 Ag N4 O3 S -","- C28 H36 Ag4 N16 O12 S4 -","4","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330365","9.99632","0.00027","6.79999","0.00022","8.63549","0.00024","90","","92.0371","0.0026","90","","586.63","0.03","298","","298","","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-(4,4'-bipyrazolyl)-ag(i) trifluoromethanesulfonate","","- C7 H6 Ag F3 N4 O3 S -","- C7 H6 Ag F3 N4 O3 S -","- C14 H12 Ag2 F6 N8 O6 S2 -","2","1","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330366","24.1332","0.0006","8.4915","0.0002","14.2128","0.0003","90","","121.954","0.001","90","","2471.25","0.1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H60 Cl4 Cu4 N20 O22 -","- C22 H60 Cl4 Cu4 N20 O22 -","- C44 H120 Cl8 Cu8 N40 O44 -","2","0.25","","Javier Hernández-Gil; Sacramento Ferrer; Alfonso Castiñeiras; Francesc Lloret","A Unique Discrete Tetranuclear Cu'-Cu(N-N)2Cu-Cu' Copper(II) Complex, Built from a μ3-1,2,4-Triazolato-μ-carboxylato Ligand, as an Effective DNA Cleavage Agent","Inorganic Chemistry","2012","51","","9809","9819","10.1021/ic301168k","","","0.71073","MoKα","","0.0481","0.04","","","0.094","0.098","","","","","","1.088","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330367","40.809","0.008","12.708","0.004","42.708","0.009","90","","91.08","0.04","90","","22144","9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Ba In2 O8 -","- C44 H56 Ba In2 O8 -","- C880 H1120 Ba20 In40 O160 -","20","2.5","","Łukasz John; Magdalena Kosińska-Klähn; Lucjan B. Jerzykiewicz; Leszek Kępiński; Piotr Sobota","Synthesis of Functionalized Materials Using Aryloxo-Organometallic Compounds toward Spinel-like MM'2O4 (M = Ba2+, Sr2+; M' = In3+, Al3+) Double Oxides","Inorganic Chemistry","2012","51","","9820","9832","10.1021/ic301218v","","","1.54178","CuKα","","0.0773","0.0424","","","0.1079","0.1173","","","","","","0.781","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4330368","17.075","0.004","9.496","0.003","17.503","0.004","90","","117.41","0.04","90","","2519.4","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 In2 O4 -","- C24 H34 In2 O4 -","- C96 H136 In8 O16 -","4","0.5","","Łukasz John; Magdalena Kosińska-Klähn; Lucjan B. Jerzykiewicz; Leszek Kępiński; Piotr Sobota","Synthesis of Functionalized Materials Using Aryloxo-Organometallic Compounds toward Spinel-like MM'2O4 (M = Ba2+, Sr2+; M' = In3+, Al3+) Double Oxides","Inorganic Chemistry","2012","51","","9820","9832","10.1021/ic301218v","","","0.71073","MoKα","","0.0241","0.0191","","","0.0412","0.0427","","","","","","1.007","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330369","20.157","0.005","14.714","0.004","21.812","0.005","90","","98.99","0.03","90","","6390","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H82 O14 Sr -","- C70 H82 O14 Sr -","- C280 H328 O56 Sr4 -","4","1","","Łukasz John; Magdalena Kosińska-Klähn; Lucjan B. Jerzykiewicz; Leszek Kępiński; Piotr Sobota","Synthesis of Functionalized Materials Using Aryloxo-Organometallic Compounds toward Spinel-like MM'2O4 (M = Ba2+, Sr2+; M' = In3+, Al3+) Double Oxides","Inorganic Chemistry","2012","51","","9820","9832","10.1021/ic301218v","","","0.71073","MoKα","","0.0962","0.0391","","","0.0585","0.0656","","","","","","0.8","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330370","35.401","0.004","13.8473","0.0014","12.8506","0.0013","90","","107.367","0.002","90","","6012.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H62 F6 N16 O28 Pt4 -","- C24 H62 F6 N16 O28 Pt4 -","- C96 H248 F24 N64 O112 Pt16 -","4","0.5","","Justin J. Wilson; Stephen J. Lippard","Acetate-Bridged Platinum(III) Complexes Derived from Cisplatin","Inorganic Chemistry","2012","51","","9852","9864","10.1021/ic301289j","","","0.71073","MoKα","","0.0778","0.0536","","","0.1361","0.1486","","","","","","1.071","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330371","19.1794","0.0009","15.7804","0.0007","10.8811","0.0005","90","","100.452","0.001","90","","3238.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H18 N6 O10.5 Pt2 -","- C4 H18 N6 O10.5 Pt2 -","- C32 H144 N48 O84 Pt16 -","8","1","","Justin J. Wilson; Stephen J. Lippard","Acetate-Bridged Platinum(III) Complexes Derived from Cisplatin","Inorganic Chemistry","2012","51","","9852","9864","10.1021/ic301289j","","","0.71073","MoKα","","0.0227","0.0182","","","0.037","0.0383","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330372","13.3959","0.0005","10.3272","0.0004","25.3699","0.001","90","","121.712","0.001","90","","2985.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H39 Cl2 N9 O13 Pt2 -","- C13 H39 Cl2 N9 O13 Pt2 -","- C52 H156 Cl8 N36 O52 Pt8 -","4","1","","Justin J. Wilson; Stephen J. Lippard","Acetate-Bridged Platinum(III) Complexes Derived from Cisplatin","Inorganic Chemistry","2012","51","","9852","9864","10.1021/ic301289j","","","0.71073","MoKα","","0.0372","0.0286","","","0.0622","0.0659","","","","","","1.119","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330373","24.2462","0.0012","10.5186","0.0005","26.2471","0.0013","90","","113.623","0.001","90","","6133","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H39 Br2 N9 O13 Pt2 -","- C13 H39 Br2 N9 O13 Pt2 -","- C104 H312 Br16 N72 O104 Pt16 -","8","2","","Justin J. Wilson; Stephen J. Lippard","Acetate-Bridged Platinum(III) Complexes Derived from Cisplatin","Inorganic Chemistry","2012","51","","9852","9864","10.1021/ic301289j","","","0.71073","MoKα","","0.0555","0.0374","","","0.0666","0.0721","","","","","","1.105","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330374","9.0117","0.0008","10.8276","0.0009","12.1185","0.001","82.451","0.001","74.441","0.001","67.948","0.001","1055.17","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H29 Au Cl N5 O2 -","- C17 H29 Au Cl N5 O2 -","- C34 H58 Au2 Cl2 N10 O4 -","2","1","","Maura Pellei; Valentina Gandin; Marika Marinelli; Cristina Marzano; Muhammed Yousufuddin; H. V. Rasika Dias; Carlo Santini","Synthesis and Biological Activity of Ester- and Amide-Functionalized Imidazolium Salts and Related Water-Soluble Coinage Metal N-Heterocyclic Carbene Complexes","Inorganic Chemistry","2012","51","","9873","9882","10.1021/ic3013188","","","0.71073","MoKα","","0.0377","0.033","","","0.0782","0.0803","","","","","","1.054","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330375","9.0596","0.0016","13.386","0.002","16.786","0.003","101.061","0.002","104.324","0.002","103.491","0.002","1849.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H29 Cl N4 O3 -","- C15 H29 Cl N4 O3 -","- C60 H116 Cl4 N16 O12 -","4","2","","Maura Pellei; Valentina Gandin; Marika Marinelli; Cristina Marzano; Muhammed Yousufuddin; H. V. Rasika Dias; Carlo Santini","Synthesis and Biological Activity of Ester- and Amide-Functionalized Imidazolium Salts and Related Water-Soluble Coinage Metal N-Heterocyclic Carbene Complexes","Inorganic Chemistry","2012","51","","9873","9882","10.1021/ic3013188","","","0.71073","MoKα","","0.1075","0.0773","","","0.1883","0.2112","","","","","","1.065","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330376","19.339","0.0019","9.6895","0.001","7.4978","0.0008","90","","90","","90","","1405","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H16 Au Cl N2 O4 -","- C11 H16 Au Cl N2 O4 -","- C44 H64 Au4 Cl4 N8 O16 -","4","0.5","","Maura Pellei; Valentina Gandin; Marika Marinelli; Cristina Marzano; Muhammed Yousufuddin; H. V. Rasika Dias; Carlo Santini","Synthesis and Biological Activity of Ester- and Amide-Functionalized Imidazolium Salts and Related Water-Soluble Coinage Metal N-Heterocyclic Carbene Complexes","Inorganic Chemistry","2012","51","","9873","9882","10.1021/ic3013188","","","0.71073","MoKα","","0.0232","0.0188","","","0.05","0.0534","","","","","","1.072","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330377","14.986","0.004","23.994","0.008","24.61","0.009","62.61","0.02","82.9","0.02","73.8","0.02","7545","5","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C138.7 H102.05 F18 Mo6 N21.35 O34 -","- C138.7 H102.05 F18 Mo6 N21.35 O34 -","- C277.4 H204.1 F36 Mo12 N42.7 O68 -","2","1","","Muxin Han; Jakob Hey; Wataru Kawamura; Dietmar Stalke; Mitsuhiko Shionoya; Guido H. Clever","An Inclusion Complex of Hexamolybdate inside a Supramolecular Cage and Its Structural Conversion","Inorganic Chemistry","2012","51","","9574","9576","10.1021/ic301359n","","","0.71073","MoKα","","0.0975","0.0575","","","0.133","0.1499","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330378","9.467","0.001","9.609","0.001","12.326","0.002","76.22","0.02","67.9","0.02","85.26","0.02","1009","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Br Cu S2 -","- C19 H24 Br Cu S2 -","- C38 H48 Br2 Cu2 S4 -","2","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","x-ray","0.71073","MoKα","","","0.0307","","","","0.0658","","","","","","0.85","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330379","13.261","0.003","14.189","0.003","17.697","0.004","90","","90","","90","","3329.9","1.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cu I S2 -","- C15 H16 Cu I S2 -","- C120 H128 Cu8 I8 S16 -","8","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","","0.71073","MoKα","","0.0924","0.0596","","","0.1317","0.1409","","","","","","1.056","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330380","12.595","0.002","13.694","0.005","22.386","0.004","90","","94.63","0.02","90","","3848.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cu4 I4 S4 -","- C30 H32 Cu4 I4 S4 -","- C120 H128 Cu16 I16 S16 -","4","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","x-ray","0.71073","MoKα","","","0.0423","","","","0.1016","","","","","","1.148","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330381","13.278","0.003","21.664","0.002","14.129","0.003","90","","107.72","0.01","90","","3871.4","1.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C75 H80 Br4 Cu4 S10 -","- C75 H80 Br4 Cu4 S10 -","- C150 H160 Br8 Cu8 S20 -","2","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","x-ray","0.71073","MoKα","","","0.054","","","","0.1242","","","","","","1.059","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330382","29.557","0.006","11.658","0.002","19.257","0.004","90","","119.67","0.03","90","","5766","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H30 Cu2 I2 S3 -","- C25.5 H30 Cu2 I2 S3 -","- C204 H240 Cu16 I16 S24 -","8","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","","0.71073","MoKα","","0.1024","0.0742","","","0.1985","0.2187","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330383","17.755","0.007","13.95","0.006","15.212","0.007","90","","109.898","0.01","90","","3543","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cu I S2 -","- C17 H20 Cu I S2 -","- C136 H160 Cu8 I8 S16 -","8","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","","0.71073","MoKα","","0.0361","0.0271","","","0.0667","0.07","","","","","","1.039","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330384","17.5702","0.0013","13.6802","0.001","14.8649","0.0011","90","","108.909","0.002","90","","3380.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Br Cu S2 -","- C17 H20 Br Cu S2 -","- C136 H160 Br8 Cu8 S16 -","8","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","","0.71073","MoKα","","0.0218","0.0184","","","0.0514","0.0523","","","","","","1.033","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330385","10.8493","0.0009","9.2519","0.0007","20.288","0.002","90","","97.23","0.01","90","","2020.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cu I S2 -","- C19 H24 Cu I S2 -","- C76 H96 Cu4 I4 S8 -","4","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","x-ray","0.71073","MoKα","","","0.0415","","","","0.1138","","","","","","1.045","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330386","25.462","0.0013","25.8918","0.0012","16.2468","0.0009","90","","128.316","0.003","90","","8403.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H75 Cu F24 N4 -","- C105 H75 Cu F24 N4 -","- C420 H300 Cu4 F96 N16 -","4","0.5","","Steffen Berg; Kolle E. Thomas; Christine M. Beavers; Abhik Ghosh","Undecaphenylcorroles","Inorganic Chemistry","2012","51","","9911","9916","10.1021/ic301388e","","","0.8856","synchrotron","","0.096","0.055","","","0.1417","0.1592","","","","","","1.039","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330387","11.249","0.0003","12.0008","0.0003","13.2015","0.0004","90","","113.557","0.001","90","","1633.64","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetoxymethyl-7-phenyl-1,2-dicarba-closo-dodecaborane(10)","","- C11 H20 B10 O2 -","- C11 H20 B10 O2 -","- C44 H80 B40 O8 -","4","1","","Oleg Bondarev; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne","Acid-Induced Opening of [closo-B10H10]2- as a New Route to 6-Substituted nido-B10H13 Decaboranes and Related Carboranes","Inorganic Chemistry","2012","51","","9935","9942","10.1021/ic3014267","","","1.54178","Cu-Kα","","0.0557","0.049","","","0.1308","0.137","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330388","9.1729","0.0003","14.8504","0.0004","20.0887","0.0006","90","","90","","90","","2736.51","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","nido-6-tolyldecaborane(13)","","- C7 H20 B10 -","- C7 H20 B10 -","- C56 H160 B80 -","8","1","","Oleg Bondarev; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne","Acid-Induced Opening of [closo-B10H10]2- as a New Route to 6-Substituted nido-B10H13 Decaboranes and Related Carboranes","Inorganic Chemistry","2012","51","","9935","9942","10.1021/ic3014267","","","1.54178","Cu-Kα","","0.0797","0.0515","","","0.1244","0.1422","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330389","6.7776","0.0003","19.9757","0.0007","10.18","0.0004","90","","100.259","0.002","90","","1356.21","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","nido-6-cyclohexyldecaborane(13)","","- C6 H24 B10 -","- C6 H24 B10 -","- C24 H96 B40 -","4","1","","Oleg Bondarev; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne","Acid-Induced Opening of [closo-B10H10]2- as a New Route to 6-Substituted nido-B10H13 Decaboranes and Related Carboranes","Inorganic Chemistry","2012","51","","9935","9942","10.1021/ic3014267","","","1.54178","Cu-Kα","","0.0431","0.0395","","","0.1062","0.1099","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330390","8.7657","0.0002","16.2504","0.0004","14.3061","0.0003","90","","105.262","0.001","90","","1965.98","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-(2',4',6'-trimethylbenzyl)-1,2-dicarba-closo- dodecaborane(10)","","- C17 H26 B10 -","- C17 H26 B10 -","- C68 H104 B40 -","4","1","","Oleg Bondarev; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne","Acid-Induced Opening of [closo-B10H10]2- as a New Route to 6-Substituted nido-B10H13 Decaboranes and Related Carboranes","Inorganic Chemistry","2012","51","","9935","9942","10.1021/ic3014267","","","1.54178","Cu-Kα","","0.0487","0.0431","","","0.114","0.1188","","","","","","1.044","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330391","6.9101","0.0003","8.7737","0.0003","9.5432","0.0004","72.226","0.001","87.036","0.001","67.136","0.001","506.19","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H9 Cd1.5 Cl3 O4 P -","- C3 H6 Cd1.5 Cl3 O4 P -","- C6 H12 Cd3 Cl6 O8 P2 -","2","1","","Alexander V. Anyushin; Dmitry A. Mainichev; Nikolay K. Moroz; Pavel A. Abramov; Dmitry Yu. Naumov; Maxim N. Sokolov; Vladimir P. Fedin","Cd2+ Complexation with P(CH2OH)3, OP(CH2OH)3, and (HOCH2)2PO2-: Coordination in Solution and Coordination Polymers","Inorganic Chemistry","2012","51","","9995","10003","10.1021/ic3014283","","x-ray","0.71073","MoKα","","0.0193","0.0161","","","0.0401","0.0414","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330392","6.957","0.0002","7.3639","0.0002","8.8093","0.0003","90","","105.518","0.001","90","","434.85","0.02","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 Cd Cl2 O4 P -","- C3 H7 Cd Cl2 O4 P -","- C6 H14 Cd2 Cl4 O8 P2 -","2","0.5","","Alexander V. Anyushin; Dmitry A. Mainichev; Nikolay K. Moroz; Pavel A. Abramov; Dmitry Yu. Naumov; Maxim N. Sokolov; Vladimir P. Fedin","Cd2+ Complexation with P(CH2OH)3, OP(CH2OH)3, and (HOCH2)2PO2-: Coordination in Solution and Coordination Polymers","Inorganic Chemistry","2012","51","","9995","10003","10.1021/ic3014283","","x-ray","0.71073","MoKα","","0.0267","0.0241","","","0.0582","0.0592","","","","","","1.1","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330393","18.5304","0.0005","8.8733","0.0003","10.0502","0.0003","90","","90","","90","","1652.51","0.09","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C4 H18 Cd Cl2 Na2 O11 P2 -","- C4 H18 Cd Cl2 Na2 O11 P2 -","- C16 H72 Cd4 Cl8 Na8 O44 P8 -","4","0.5","","Alexander V. Anyushin; Dmitry A. Mainichev; Nikolay K. Moroz; Pavel A. Abramov; Dmitry Yu. Naumov; Maxim N. Sokolov; Vladimir P. Fedin","Cd2+ Complexation with P(CH2OH)3, OP(CH2OH)3, and (HOCH2)2PO2-: Coordination in Solution and Coordination Polymers","Inorganic Chemistry","2012","51","","9995","10003","10.1021/ic3014283","","x-ray","0.71073","MoKα","","0.0226","0.0193","","","0.0509","0.0522","","","","","","1.041","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330394","13.5824","0.0014","13.5779","0.0014","40.186","0.004","90","","98.797","0.007","90","","7323.9","1.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 Cl2 F51 N2 P Ru -","- C58 H44 Cl2 F51 N2 P Ru -","- C232 H176 Cl8 F204 N8 P4 Ru4 -","4","1","","Robert Tuba; Edward N. Brothers; Joseph H. Reibenspies; Hassan S. Bazzi; John A. Gladysz","Crystal Structure and Computational Investigation of an Analogue of Grubbs' Second Generation Catalyst with a Fluorous Phosphine","Inorganic Chemistry","2012","51","","9943","9949","10.1021/ic301434g","","","1.54178","CuKα","","0.0819","0.0563","","","0.1384","0.146","","","","","","1.005","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330395","13.9429","0.0016","13.9429","0.0016","13.9429","0.0016","90","","90","","90","","2710.6","0.5","123","2","123","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C4 H6 N8 O Zn -","- C4.08 H6.06 N8.16 O Zn -","- C32.64 H48.48 N65.28 O8 Zn8 -","8","0.0416667","","Rui-Biao Lin; Da Chen; Yan-Yong Lin; Jie-Peng Zhang; Xiao-Ming Chen","A Zeolite-Like Zinc Triazolate Framework with High Gas Adsorption and Separation Performance","Inorganic Chemistry","2012","51","","9950","9955","10.1021/ic301463z","","","0.71073","MoKα","","0.0882","0.0758","","","0.1593","0.1777","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330396","10.204","0.0015","10.204","0.0015","13.0998","0.0018","90","","90","","90","","1364","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H12 N8 O Zn -","- C6 H12 N8 O Zn -","- C24 H48 N32 O4 Zn4 -","4","0.5","","Rui-Biao Lin; Da Chen; Yan-Yong Lin; Jie-Peng Zhang; Xiao-Ming Chen","A Zeolite-Like Zinc Triazolate Framework with High Gas Adsorption and Separation Performance","Inorganic Chemistry","2012","51","","9950","9955","10.1021/ic301463z","","","0.71073","MoKα","","0.1369","0.1359","","","0.3243","0.3248","","","","","","1.074","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330397","31.098","0.003","10.1937","0.0008","11.9756","0.0009","90","","107.044","0.002","90","","3629.6","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H56 Mo N2 O6 -","- C36 H56 Mo N2 O6 -","- C144 H224 Mo4 N8 O24 -","4","1","","Martina E. Judmaier; Christof Holzer; Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo Complexes Employing Schiff Base Ligands with an Intramolecular Donor for Highly Selective Olefin Epoxidation","Inorganic Chemistry","2012","51","","9956","9966","10.1021/ic301464w","","","0.71073","MoKα","","0.0225","0.0221","","","0.0576","0.0579","","","","","","1.034","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330398","19.606","0.002","6.8112","0.0007","15.1333","0.0016","90","","98.025","0.004","90","","2001.1","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H62 Mo N4 O4 -","- C38 H62 Mo N4 O4 -","- C76 H124 Mo2 N8 O8 -","2","0.5","","Martina E. Judmaier; Christof Holzer; Manuel Volpe; Nadia C. Mösch-Zanetti","Molybdenum(VI) Dioxo Complexes Employing Schiff Base Ligands with an Intramolecular Donor for Highly Selective Olefin Epoxidation","Inorganic Chemistry","2012","51","","9956","9966","10.1021/ic301464w","","","0.71073","MoKα","","0.0496","0.0478","","","0.1288","0.1305","","","","","","1.085","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330399","12.326","0.004","14.753","0.004","8.585","0.003","90","","90","","90","","1561.1","0.9","100","2","100","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H28 I K2 N2 O24 P8 Pt2 -","- C4 H12 I K2 N2 O24 P8 Pt2 -","- C8 H24 I2 K4 N4 O48 P16 Pt4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0172","0.017","","","0.0499","0.0499","","","","","","1.161","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330400","12.164","0.002","15.175","0.003","8.6247","0.0015","90","","90","","90","","1592","0.5","293","2","293","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H28 I K2 N2 O24 P8 Pt2 -","- C4 H8 I K2 N2 O24 P8 Pt2 -","- C8 H16 I2 K4 N4 O48 P16 Pt4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0158","0.0152","","","0.0384","0.0385","","","","","","0.952","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330401","12.5503","0.0013","14.9494","0.0016","8.5403","0.0009","90","","90","","90","","1602.3","0.3","100","2","100","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C5 H32 I K2 N2 O24 P8 Pt2 -","- C5 H14 I K2 N2 O24 P8 Pt2 -","- C10 H28 I2 K4 N4 O48 P16 Pt4 -","2","0.25","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0262","0.0198","","","0.0524","0.0537","","","","","","0.958","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330402","12.237","0.002","15.432","0.003","8.5382","0.0015","90","","90","","90","","1612.4","0.5","100","2","100","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C4 H30 I K2 N2 O25 P8 Pt2 -","- C4 H8 I K2 N2 O25 P8 Pt2 -","- C8 H16 I2 K4 N4 O50 P16 Pt4 -","2","0.25","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0402","0.0308","","","0.0654","0.068","","","","","","1.136","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330403","12.7396","0.0011","14.0609","0.0013","17.5723","0.0015","90","","90","","90","","3147.7","0.5","100","2","100","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C3 H28 I N2 O24 P8 Pt2 Rb2 -","- C3 H12 I N2 O24 P8 Pt2 Rb2 -","- C12 H48 I4 N8 O96 P32 Pt8 Rb8 -","4","1","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.054","0.0316","","","0.0536","0.057","","","","","","0.836","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330404","13.5079","0.0011","13.5079","0.0011","17.531","0.002","90","","90","","90","","3198.8","0.5","100","2","100","2","","","","","","","","8","P 4 n c","P 4 -2n","104","","","","- C4 H30 I N2 O24 P8 Pt2 Rb2 -","- C4 H10 I N2 O24 P8 Pt2 Rb2 -","- C16 H40 I4 N8 O96 P32 Pt8 Rb8 -","4","0.5","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0536","0.026","","","0.0423","0.0455","","","","","","0.715","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330405","13.5401","0.0016","13.5401","0.0016","17.555","0.003","90","","90","","90","","3218.4","0.8","250","2","250","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C3 H27 Cl I N2 O24 P8 Pt2 Rb2 -","- C3 Cl I N2 O24 P8 Pt2 Rb2 -","- C12 Cl4 I4 N8 O96 P32 Pt8 Rb8 -","4","0.5","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0588","0.0309","","","0.0534","0.0588","","","","","","0.831","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330406","12.36","0.002","14.891","0.003","8.6936","0.0015","90","","90","","90","","1600.1","0.5","100","2","100","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H28 I N2 O24 P8 Pt2 Rb2 -","- C4 I N2 O24 P8 Pt2 Rb2 -","- C8 I2 N4 O48 P16 Pt4 Rb4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0629","0.0538","","","0.1195","0.1234","","","","","","1.141","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330407","11.9661","0.0013","15.1128","0.0017","8.6299","0.001","90","","90","","90","","1560.6","0.3","293","2","293","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H24 I N2 O22 P8 Pt2 Rb2 -","- C4 I N2 O21.88 P8 Pt2 Rb2 -","- C8 I2 N4 O43.76 P16 Pt4 Rb4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0325","0.0307","","","0.0728","0.0735","","","","","","1.118","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330408","12.63","0.003","15.101","0.004","8.655","0.002","90","","90","","90","","1650.7","0.7","100","2","100","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C5 H32 I N2 O24 P8 Pt2 Rb2 -","- C5 H8 I N2 O24 P8 Pt2 Rb2 -","- C10 H16 I2 N4 O48 P16 Pt4 Rb4 -","2","0.25","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0478","0.0252","","","0.0495","0.0524","","","","","","0.808","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330409","12.272","0.004","15.533","0.005","8.65","0.003","90","","90","","90","","1648.9","0.9","100","2","100","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C4 H30 I N2 O25 P8 Pt2 Rb2 -","- C4 I N2 O25 P8 Pt2 Rb2 -","- C8 I2 N4 O50 P16 Pt4 Rb4 -","2","0.125","","Hiroaki Iguchi; Shinya Takaishi; Brian K. Breedlove; Masahiro Yamashita; Hiroyuki Matsuzaki; Hiroshi Okamoto","Controlling the Electronic States and Physical Properties of MMX-Type Diplatinum-Iodide Chain Complexes via Binary Countercations","Inorganic Chemistry","2012","51","","9967","9977","10.1021/ic301469u","","","0.71073","MoKα","","0.0348","0.031","","","0.0761","0.0772","","","","","","1.005","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330410","11.3331","0.0007","17.4406","0.0009","25.179","0.001","90","","102.71","0.004","90","","4854.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","meta-F","","","- C60 H24 F4 Mn N8 -","- C60 H24 F4 Mn N8 -","- C240 H96 F16 Mn4 N32 -","4","0.5","","Z. Tomkowicz; M. Rams; M. Bałanda; S. Foro; H. Nojiri; Y. Krupskaya; V. Kataev; B. Büchner; S. K. Nayak; J. V. Yakhmi; W. Haase","Slow Magnetic Relaxations in Manganese(III) Tetra(meta-fluorophenyl)porphyrin-tetracyanoethenide. Comparison with the Relative Single Chain MagnetorthoCompound","Inorganic Chemistry","2012","51","","9983","9994","10.1021/ic3014927","","","0.71073","MoKα","","0.1211","0.1","","","0.2849","0.3042","","","","","","1.149","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330411","13.8864","0.0007","18.823","0.0009","23.693","0.0016","90","","90","","90","","6193","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N6 O11.5 Ru -","- C25 H37 N6 O11.5 Ru -","- C200 H296 N48 O92 Ru8 -","8","2","","Chen Fu; Marianne Wenzel; Elisabeth Treutlein; Klaus Harms; Eric Meggers","Proline as Chiral Auxiliary for the Economical Asymmetric Synthesis of Ruthenium(II) Polypyridyl Complexes","Inorganic Chemistry","2012","51","","10004","10011","10.1021/ic3015157","","","0.71073","MoKα","","0.1396","0.0555","","","0.0972","0.1173","","","","","","0.78","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330412","14.0011","0.0005","18.2927","0.0006","14.4932","0.0005","90","","106.071","0.003","90","","3566.9","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H32 F6 N5 O2 P Ru -","- C41 H32 F6 N5 O2 P Ru -","- C164 H128 F24 N20 O8 P4 Ru4 -","4","2","","Chen Fu; Marianne Wenzel; Elisabeth Treutlein; Klaus Harms; Eric Meggers","Proline as Chiral Auxiliary for the Economical Asymmetric Synthesis of Ruthenium(II) Polypyridyl Complexes","Inorganic Chemistry","2012","51","","10004","10011","10.1021/ic3015157","","","0.71073","MoKα","","0.0488","0.0304","","","0.0485","0.0506","","","","","","0.688","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330413","12.0936","0.0012","22.276","0.002","23.385","0.002","90","","90","","90","","6299.8","1","110","2","110","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C28 H22 N4 Ni O6 S -","- C28 H22 N4 Ni O6 S -","- C224 H176 N32 Ni8 O48 S8 -","8","0.5","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors","Inorganic Chemistry","2012","51","","9577","9579","10.1021/ic301636z","","","0.71073","MoKα","","0.0398","0.038","","","0.1027","0.1035","","","","","","1.132","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330414","12.252","0.004","22.16","0.009","23.571","0.009","90","","90","","90","","6400","4","110","2","110","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C28 H22 N4 Ni O6 S -","- C28 H22 N4 Ni O6 S -","- C224 H176 N32 Ni8 O48 S8 -","8","0.5","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors","Inorganic Chemistry","2012","51","","9577","9579","10.1021/ic301636z","","","0.71073","MoKα","","0.0375","0.0346","","","0.084","0.085","","","","","","1.008","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330415","7.097","0.002","12.877","0.005","13.116","0.005","109.74","0.006","102.105","0.006","92.279","0.006","1095.1","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Co N2 O6 S -","- C21 H15 Co N2 O6 S -","- C42 H30 Co2 N4 O12 S2 -","2","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors","Inorganic Chemistry","2012","51","","9577","9579","10.1021/ic301636z","","","0.71073","MoKα","","0.0846","0.0726","","","0.1545","0.1594","","","","","","1.14","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330416","7.22","0.007","12.829","0.012","13.163","0.013","110.01","0.02","101.593","0.019","92.468","0.019","1113.9","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 N2 O6 S Zn -","- C21 H15 N2 O6 S Zn -","- C42 H30 N4 O12 S2 Zn2 -","2","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors","Inorganic Chemistry","2012","51","","9577","9579","10.1021/ic301636z","","","0.71073","MoKα","","0.0907","0.0731","","","0.1698","0.179","","","","","","1.047","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330417","6.9316","0.0016","13.157","0.003","13.476","0.003","110.34","0.003","99.638","0.004","93.412","0.004","1126.9","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cd N2 O6 S -","- C21 H15 Cd N2 O6 S -","- C42 H30 Cd2 N4 O12 S2 -","2","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors","Inorganic Chemistry","2012","51","","9577","9579","10.1021/ic301636z","","","0.71073","MoKα","","0.0423","0.0403","","","0.1132","0.1146","","","","","","1.068","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330418","12.894","0.003","19.227","0.005","19.88","0.005","98.938","0.004","99.085","0.004","109.141","0.004","4482.8","1.9","105","2","105","2","","","","","","","","5","P -1","-P 1","2","tpaMesV(N3Ar)","","","- C52.5 H56 N7 O V -","- C52.5 H56 N7 O V -","- C210 H224 N28 O4 V4 -","4","2","","W. Hill Harman; Michael F. Lichterman; Nicholas A. Piro; Christopher J. Chang","Well-Defined Vanadium Organoazide Complexes and Their Conversion to Terminal Vanadium Imides: Structural Snapshots and Evidence for a Nitrene Capture Mechanism","Inorganic Chemistry","2012","51","","10037","10042","10.1021/ic301673g","","","0.71073","MoKα","","0.1758","0.0754","","","0.1653","0.2133","","","","","","0.974","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330419","12.9102","0.0006","19.1239","0.001","19.6489","0.001","98.969","0.004","98.736","0.003","108.891","0.003","4426.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(tpaMes)V(N3pTol)","(tpaMes)V(N3pTol)","","- C52.5 H56 N7 V -","- C52.5 H56 N7 V -","- C210 H224 N28 V4 -","4","2","","W. Hill Harman; Michael F. Lichterman; Nicholas A. Piro; Christopher J. Chang","Well-Defined Vanadium Organoazide Complexes and Their Conversion to Terminal Vanadium Imides: Structural Snapshots and Evidence for a Nitrene Capture Mechanism","Inorganic Chemistry","2012","51","","10037","10042","10.1021/ic301673g","","x-ray","1.54178","CuKα","","0.1211","0.0677","","","0.1291","0.1568","","","","","","1.014","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330420","17.745","0.0017","10.807","0.001","21.763","0.002","90","","96.601","0.001","90","","4145.8","0.7","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tpaMesV(NAr)","","","- C49 H52 N5 O V -","- C49 H52 N5 O V -","- C196 H208 N20 O4 V4 -","4","1","","W. Hill Harman; Michael F. Lichterman; Nicholas A. Piro; Christopher J. Chang","Well-Defined Vanadium Organoazide Complexes and Their Conversion to Terminal Vanadium Imides: Structural Snapshots and Evidence for a Nitrene Capture Mechanism","Inorganic Chemistry","2012","51","","10037","10042","10.1021/ic301673g","","","0.71073","MoKα","","0.0707","0.0425","","","0.0931","0.1066","","","","","","1.024","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330421","17.1269","0.0004","10.7324","0.0003","21.7556","0.0005","90","","93.621","0.002","90","","3990.97","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(tpaMes)V(NpTol)","(tpaMes)V(NpTol)","","- C49 H52 N5 V -","- C49 H52 N5 V -","- C196 H208 N20 V4 -","4","1","","W. Hill Harman; Michael F. Lichterman; Nicholas A. Piro; Christopher J. Chang","Well-Defined Vanadium Organoazide Complexes and Their Conversion to Terminal Vanadium Imides: Structural Snapshots and Evidence for a Nitrene Capture Mechanism","Inorganic Chemistry","2012","51","","10037","10042","10.1021/ic301673g","","","1.54178","CuKα","","0.0899","0.0497","","","0.0974","0.1113","","","","","","1.037","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330422","18.013","0.004","10.773","0.003","22.019","0.005","90","","96.264","0.004","90","","4247.4","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(tpaMes)V(N3(p-C6H4NMe2))","(tpaMes)V(N3(p-C6H4NMe2))","","- C50 H55 N6 V -","- C50 H55 N6 V -","- C200 H220 N24 V4 -","4","1","","W. Hill Harman; Michael F. Lichterman; Nicholas A. Piro; Christopher J. Chang","Well-Defined Vanadium Organoazide Complexes and Their Conversion to Terminal Vanadium Imides: Structural Snapshots and Evidence for a Nitrene Capture Mechanism","Inorganic Chemistry","2012","51","","10037","10042","10.1021/ic301673g","","x-ray","0.71073","MoKα","","0.0598","0.0438","","","0.11","0.1231","","","","","","1.047","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330423","13.5781","0.001","15.8816","0.0011","22.2863","0.0016","75.466","0.002","80.341","0.002","77.215","0.002","4504.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C234 H178 B2 Cl1.94 Fe1.94 P6 Tl0.06 -","- C234 H178 B2 Cl1.944 Fe1.944 P6 Tl0.056 -","- C234 H178 B2 Cl1.944 Fe1.944 P6 Tl0.056 -","1","0.5","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","0.71073","MoKα","","0.1538","0.0914","","","0.2151","0.246","","","","","","1.087","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330424","13.294","0.003","22.458","0.005","13.418","0.003","90","","94.24","0.03","90","","3995.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 B Fe N2 P3 -","- C47 H48 B Fe N2 P3 -","- C188 H192 B4 Fe4 N8 P12 -","4","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","0.71073","MoKα","","0.0509","0.0395","","","0.0998","0.1086","","","","","","1.05","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330425","19.5253","0.0004","21.1191","0.0003","30.1301","0.0006","90","","104.095","0.001","90","","12050.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96.67 H100.67 B0.67 Fe0.67 N2 O4.67 P2 -","- C96.6693 H100.672 B0.666667 Fe0.666667 N2 O4.66733 P2 -","- C580.016 H604.032 B4 Fe4 N12 O28.004 P12 -","6","1.5","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","1.54178","CuKα","","0.0631","0.0523","","","0.1397","0.1489","","","","","","1.038","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330426","11.7898","0.0009","12.1629","0.001","18.527","0.0015","73.97","0.002","79.367","0.001","74.241","0.001","2440.2","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C49.98 H54.85 B Cl0.25 F4.53 Fe N1.94 O1.25 P3.76 -","- C49.9728 H54.8296 B Cl0.2432 F4.5408 Fe N1.942 O1.2432 P3.7568 -","- C99.9456 H109.659 B2 Cl0.4864 F9.0816 Fe2 N3.884 O2.4864 P7.5136 -","2","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","0.71073","MoKα","","0.0928","0.0611","","","0.1754","0.2001","","","","","","1.029","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330427","12.7493","0.0001","13.262","0.0001","17.4092","0.0002","68.453","0.001","69.945","0.001","64.307","0.001","2407.19","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H60 B Fe N2 O2 P3 -","- C55.5 H60 B Fe N2 O2 P3 -","- C111 H120 B2 Fe2 N4 O4 P6 -","2","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","1.54178","CuKα","","0.0505","0.0389","","","0.0908","0.0972","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330428","12.7623","0.0003","13.1453","0.0003","17.3467","0.0004","68.954","0.002","69.714","0.001","64.154","0.001","2380.88","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H59 B Fe N O2 P3 -","- C55.5 H59 B Fe N O2 P3 -","- C111 H118 B2 Fe2 N2 O4 P6 -","2","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","1.54178","CuKα","","0.0326","0.0305","","","0.0774","0.0787","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330429","11.7861","0.0009","12.1742","0.0009","18.5366","0.0014","74.054","0.001","79.463","0.001","74.345","0.001","2445.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H56 B F6 Fe N3 O P4 -","- C49.004 H56.008 B F6 Fe N3 O1.001 P4 -","- C98.008 H112.016 B2 F12 Fe2 N6 O2.002 P8 -","2","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","0.71073","MoKα","","0.0506","0.0415","","","0.1082","0.1169","","","","","","1.044","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330430","14.2347","0.0004","14.869","0.0004","49.9305","0.0015","90","","90","","90","","10568.1","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C127 H115 B Fe N O6 P3 -","- C127.004 H115.01 B Fe N O6.002 P3 -","- C508.016 H460.04 B4 Fe4 N4 O24.008 P12 -","4","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","1.54178","CuKα","","0.0612","0.0542","","","0.139","0.143","","","","","","1.147","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330431","11.7629","0.0016","14.444","0.002","15.194","0.002","85.96","0.002","77.814","0.002","72.853","0.002","2411.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H53 B F6 Fe N2 O2 P4 -","- C50 H53 B F6 Fe N2 O2 P4 -","- C100 H106 B2 F12 Fe2 N4 O4 P8 -","2","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","0.71073","MoKα","","0.0993","0.0641","","","0.1321","0.1461","","","","","","1.086","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330432","10.387","0.0001","11.7309","0.0001","20.3455","0.0002","98.058","0.001","98.668","0.001","113.744","0.001","2187.35","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H50 B Fe N0 O2 P3 -","- C53 H50 B Fe O2 P3 -","- C106 H100 B2 Fe2 O4 P6 -","2","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","1.54178","CuKα","","0.0324","0.0313","","","0.0792","0.08","","","","","","1.032","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330433","21.819","0.0013","14.0368","0.0009","31.96","0.002","90","","99.213","0.001","90","","9662.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 B Fe O5 P3 -","- C56 H60 B Fe O5 P3 -","- C448 H480 B8 Fe8 O40 P24 -","8","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","0.71073","MoKα","","0.08","0.051","","","0.1099","0.1246","","","","","","1.026","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330434","10.4739","0.0009","48.182","0.004","11.3434","0.0009","90","","109.844","0.001","90","","5384.6","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63.16 H69.63 B Fe N0 O2.84 P3 -","- C63.153 H69.62 B Fe O2.842 P3 -","- C252.612 H278.48 B4 Fe4 O11.368 P12 -","4","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","0.71073","MoKα","","0.0654","0.055","","","0.119","0.1239","","","","","","1.173","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330435","10.1285","0.0001","39.172","0.0005","11.7611","0.0001","90","","111.196","0.001","90","","4350.58","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 B Fe O2 P3 -","- C52 H51 B Fe O2 P3 -","- C208 H204 B4 Fe4 O8 P12 -","4","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","1.54178","CuKα","","0.0425","0.0378","","","0.093","0.0955","","","","","","1.048","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330436","14.9321","0.0003","16.502","0.0004","21.5928","0.0006","83.028","0.002","81.361","0.001","67.694","0.001","4854.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C127 H104 B Fe N0 O4 P3 -","- C127 H104 B Fe O4 P3 -","- C254 H208 B2 Fe2 O8 P6 -","2","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","1.54178","CuKα","","0.045","0.0411","","","0.1079","0.111","","","","","","1.028","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330437","7.5754","0.0002","11.4839","0.0003","11.1083","0.0003","90","","107.101","0.003","90","","923.64","0.04","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 Co N10 -","- C16 H6 Co N10 -","- C32 H12 Co2 N20 -","2","0.5","","Endrit Shurdha; Saul H. Lapidus; Peter W. Stephens; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Extended Network Thiocyanate- and Tetracyanoethanide-Based First-Row Transition Metal Complexes","Inorganic Chemistry","2012","51","","9655","9665","10.1021/ic300804y","powder diffraction","","0.699193","synchrotron","","","","","","","","","","1.668","","","","","","","has coordinates,has Fobs","179407","2020-10-21","18:00:00",""
"4330438","8.8769","0.0007","10.9042","0.0008","12.3175","0.0009","97.53","0.002","106.043","0.001","107.005","0.002","1066.23","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H62 Mn2 N2 O4 Si4 -","- C32 H62 Mn2 N2 O4 Si4 -","- C32 H62 Mn2 N2 O4 Si4 -","1","0.5","","Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla","Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands","Inorganic Chemistry","2012","51","","10095","10104","10.1021/ic202448c","","","0.71073","MoKα","","0.0548","0.0408","","","0.0958","0.1089","","","","","","1.154","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330439","19.7255","0.0014","12.6112","0.0009","20.9188","0.0015","90","","92.681","0.001","90","","5198.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H64 Cl2 Mn2 N2 O2 Si4 -","- C49 H64 Cl2 Mn2 N2 O2 Si4 -","- C196 H256 Cl8 Mn8 N8 O8 Si16 -","4","1","","Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla","Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands","Inorganic Chemistry","2012","51","","10095","10104","10.1021/ic202448c","","","0.71073","MoKα","","0.0368","0.0294","","","0.0711","0.0767","","","","","","1.049","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330440","9.419","0.004","12.287","0.006","16.22","0.007","97.956","0.008","91.959","0.009","111.792","0.009","1718.7","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 Mn O4 -","- C44 H42 Mn O4 -","- C88 H84 Mn2 O8 -","2","1","","Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla","Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands","Inorganic Chemistry","2012","51","","10095","10104","10.1021/ic202448c","","","0.71073","MoKα","","0.0946","0.0554","","","0.1266","0.1445","","","","","","0.979","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330441","10.8698","0.0005","11.5942","0.0006","16.1014","0.0008","75.896","0.001","83.306","0.001","70.117","0.001","1849.46","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H48 Mn O4 -","- C44 H46 Mn O4 -","- C88 H92 Mn2 O8 -","2","1","","Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla","Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands","Inorganic Chemistry","2012","51","","10095","10104","10.1021/ic202448c","","","0.71073","MoKα","","0.0856","0.0482","","","0.1128","0.1294","","","","","","1.017","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330442","10.1362","0.0017","32.734","0.006","19.57","0.003","90","","95.529","0.003","90","","6463.1","1.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H96 Mn3 N2 O6 Si4 -","- C56 H96 Mn3 N2 O6 Si4 -","- C224 H384 Mn12 N8 O24 Si16 -","4","0.5","","Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla","Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands","Inorganic Chemistry","2012","51","","10095","10104","10.1021/ic202448c","","","0.71073","MoKα","","0.139","0.0565","","","0.1128","0.1402","","","","","","0.95","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330443","26.479","0.003","45.599","0.006","20.072","0.003","90","","129.425","0.002","90","","18721","4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C96 H108 Mn8 O20 -","- C96 H108 Mn8 O20 -","- C768 H864 Mn64 O160 -","8","2","","Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla","Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands","Inorganic Chemistry","2012","51","","10095","10104","10.1021/ic202448c","","","0.71073","MoKα","","0.0914","0.0529","","","0.117","0.1373","","","","","","1.018","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330444","39.388","0.002","8.701","0.0005","18.2535","0.0008","90","","90","","90","","6255.7","0.6","150","2","150","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C26 H42 Cl2 Cu2 N4 O10 -","- C26 H42 Cl2 Cu2 N4 O10 -","- C208 H336 Cl16 Cu16 N32 O80 -","8","2","","Apurba Biswas; Lakshmi Kanta Das; Michael G. B. Drew; Carmen Diaz; Ashutosh Ghosh","Insertion of a Hydroxido Bridge into a Diphenoxido Dinuclear Copper(II) Complex: Drastic Change of the Magnetic Property from Strong Antiferromagnetic to Ferromagnetic and Enhancement in the Catecholase Activity","Inorganic Chemistry","2012","51","","10111","10121","10.1021/ic300319s","","","0.71073","MoKα","","0.1274","0.0683","","","0.0911","0.112","","","","","","0.867","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330445","12.912","0.004","13.044","0.004","19.528","0.006","81.778","0.004","84.012","0.004","89.282","0.004","3237.4","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Cl Cu2 N4 O7 -","- C26 H43 Cl Cu2 N4 O7 -","- C104 H172 Cl4 Cu8 N16 O28 -","4","2","","Apurba Biswas; Lakshmi Kanta Das; Michael G. B. Drew; Carmen Diaz; Ashutosh Ghosh","Insertion of a Hydroxido Bridge into a Diphenoxido Dinuclear Copper(II) Complex: Drastic Change of the Magnetic Property from Strong Antiferromagnetic to Ferromagnetic and Enhancement in the Catecholase Activity","Inorganic Chemistry","2012","51","","10111","10121","10.1021/ic300319s","","","0.71073","MoKα","","0.109","0.0682","","","0.1997","0.2228","","","","","","1.062","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330446","10.6112","0.0009","13.4902","0.0015","8.8782","0.0009","90","","99.556","0.006","90","","1253.3","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl N3 Pd -","- C14 H10 Cl N3 Pd -","- C56 H40 Cl4 N12 Pd4 -","4","0.5","","Gregory H. Imler; Zhi Lu; Kurt A. Kistler; Patrick J. Carroll; Bradford B. Wayland; Michael J. Zdilla","Complexes of 2,5-Bis(α-pyridyl)pyrrolate with Pd(II) and Pt(II): A Monoanionic Iso-π-Electron Ligand Analog of Terpyridine","Inorganic Chemistry","2012","51","","10122","10128","10.1021/ic300435t","","","0.71069","MoKα","","0.049","0.0459","","0.106","0.1036","","","","1.106","1.108","1.108","","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330447","11.8162","0.0005","12.8499","0.0007","6.9992","0.0004","94.825","0.001","106.811","0.004","110.907","0.003","929.26","0.09","295","1","295","1","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 F3 N3 O5 Pd S -","- C15 H14 F3 N3 O5 Pd S -","- C30 H28 F6 N6 O10 Pd2 S2 -","2","1","","Gregory H. Imler; Zhi Lu; Kurt A. Kistler; Patrick J. Carroll; Bradford B. Wayland; Michael J. Zdilla","Complexes of 2,5-Bis(α-pyridyl)pyrrolate with Pd(II) and Pt(II): A Monoanionic Iso-π-Electron Ligand Analog of Terpyridine","Inorganic Chemistry","2012","51","","10122","10128","10.1021/ic300435t","","","0.71069","MoKα","","0.056","0.0496","","","0.1175","0.1221","","","","","","1.111","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330448","10.769","0.003","13.456","0.004","8.751","0.002","90","","98.944","0.006","90","","1252.7","0.6","143","1","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl N3 Pt -","- C14 H10 Cl N3 Pt -","- C56 H40 Cl4 N12 Pt4 -","4","0.5","","Gregory H. Imler; Zhi Lu; Kurt A. Kistler; Patrick J. Carroll; Bradford B. Wayland; Michael J. Zdilla","Complexes of 2,5-Bis(α-pyridyl)pyrrolate with Pd(II) and Pt(II): A Monoanionic Iso-π-Electron Ligand Analog of Terpyridine","Inorganic Chemistry","2012","51","","10122","10128","10.1021/ic300435t","","","0.71069","MoKα","","0.0224","0.0209","","0.05","0.0497","","","","1.144","1.154","1.154","","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330449","5.9045","0.0007","12.7669","0.0016","15.3114","0.0018","90","","90","","90","","1154.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,5-dipyridylpyrrole","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Gregory H. Imler; Zhi Lu; Kurt A. Kistler; Patrick J. Carroll; Bradford B. Wayland; Michael J. Zdilla","Complexes of 2,5-Bis(α-pyridyl)pyrrolate with Pd(II) and Pt(II): A Monoanionic Iso-π-Electron Ligand Analog of Terpyridine","Inorganic Chemistry","2012","51","","10122","10128","10.1021/ic300435t","","","0.71073","MoKα","","0.0405","0.0344","","","0.0775","0.0807","","","","","","1.027","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330450","8.0765","0.0003","15.3522","0.0005","21.2837","0.0007","90","","97.937","0.002","90","","2613.73","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 B5 Br2 Ta2 -","- C20 H39 B5 Br2 Ta2 -","- C80 H156 B20 Br8 Ta8 -","4","1","","K. Geetharani; Bellie Sundaram Krishnamoorthy; Samia Kahlal; Shaikh M. Mobin; Jean-François Halet; Sundargopal Ghosh","Synthesis and Characterization of Hypoelectronic Tantalaboranes: Comparison of the Geometric and Electronic Structures of [(Cp*TaX)2B5H11] (X = Cl, Br, and I)","Inorganic Chemistry","2012","51","","10176","10184","10.1021/ic300848f","","","0.71073","MoKα","","0.0649","0.0405","","","0.0717","0.0793","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330451","16.0832","0.0002","15.5579","0.0002","22.0241","0.0003","90","","103.405","0.001","90","","5360.75","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B5 I2 Ta2 -","- C20 H32 B5 I2 Ta2 -","- C160 H256 B40 I16 Ta16 -","8","2","","K. Geetharani; Bellie Sundaram Krishnamoorthy; Samia Kahlal; Shaikh M. Mobin; Jean-François Halet; Sundargopal Ghosh","Synthesis and Characterization of Hypoelectronic Tantalaboranes: Comparison of the Geometric and Electronic Structures of [(Cp*TaX)2B5H11] (X = Cl, Br, and I)","Inorganic Chemistry","2012","51","","10176","10184","10.1021/ic300848f","","","0.71073","MoKα","","0.0418","0.0259","","","0.0531","0.0555","","","","","","0.941","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330452","18.456","0.003","13.8228","0.0019","10.2642","0.0014","90","","92.579","0.007","90","","2615.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 B5 I Ta2 -","- C20 H34 B5 I Ta2 -","- C80 H136 B20 I4 Ta8 -","4","1","","K. Geetharani; Bellie Sundaram Krishnamoorthy; Samia Kahlal; Shaikh M. Mobin; Jean-François Halet; Sundargopal Ghosh","Synthesis and Characterization of Hypoelectronic Tantalaboranes: Comparison of the Geometric and Electronic Structures of [(Cp*TaX)2B5H11] (X = Cl, Br, and I)","Inorganic Chemistry","2012","51","","10176","10184","10.1021/ic300848f","","","0.71073","MoKα","","0.0996","0.0723","","","0.1862","0.2167","","","","","","1.058","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330453","11.567","0.0003","13.1673","0.0003","17.9318","0.0004","91.589","0.001","104.031","0.001","109.794","0.001","2474.98","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C55.5 H57 B Cl2 Fe N6 O S -","- C55.5 H57 B Cl2 Fe N6 O S -","- C111 H114 B2 Cl4 Fe2 N12 O2 S2 -","2","1","","Erwan Galardon; Thomas Roger; Patrick Deschamps; Pascal Roussel; Alain Tomas; Isabelle Artaud","Synthesis of a FeIISH Complex Stabilized by an Intramolecular N-H...S Hydrogen Bond, Which Acts as a H2S Donor","Inorganic Chemistry","2012","51","","10068","10070","10.1021/ic300952d","","","0.71073","MoKα","","0.0624","0.0504","","","0.1272","0.136","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330454","4.08821","0.00003","4.08821","0.00003","19.1179","0.0002","90","","90","","90","","319.526","0.005","298","2","298","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ag2.88 Mn2 O4 Se4 Sr4 -","- Ag2.88 Mn2 O4 Se4 Sr4 -","- Ag2.88 Mn2 O4 Se4 Sr4 -","1","0.03125","","Shifeng Jin; Xiaolong Chen; Jiangang Guo; Ming Lei; Jingjing Lin; Jianguo Xi; Wenjun Wang; Wanyan Wang","Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)","Inorganic Chemistry","2012","51","","10185","10192","10.1021/ic301022g","powder diffraction","","1.5418","CuKα","","","","","","","","","8.3885","","","","","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330455","4.048762","0.000019","4.048762","0.000019","18.3571","0.0002","90","","90","","90","","300.918","0.004","298","2","298","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co Cu2 O2 Se2 Sr2 -","- Co Cu1.99 O2 Se2 Sr2 -","- Co2 Cu3.98 O4 Se4 Sr4 -","2","0.0625","","Shifeng Jin; Xiaolong Chen; Jiangang Guo; Ming Lei; Jingjing Lin; Jianguo Xi; Wenjun Wang; Wanyan Wang","Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)","Inorganic Chemistry","2012","51","","10185","10192","10.1021/ic301022g","powder diffraction","","1.5418","CuKα","","","","","","","","","12.8827","","","","","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330456","4.098","0.00003","4.098","0.00003","19.4316","0.0002","90","","90","","90","","326.327","0.005","298","2","298","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ag3.93 Co2 O4 Se4 Sr4 -","- Ag3.928 Co2 O4 Se4 Sr4 -","- Ag3.928 Co2 O4 Se4 Sr4 -","1","0.03125","","Shifeng Jin; Xiaolong Chen; Jiangang Guo; Ming Lei; Jingjing Lin; Jianguo Xi; Wenjun Wang; Wanyan Wang","Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)","Inorganic Chemistry","2012","51","","10185","10192","10.1021/ic301022g","powder diffraction","","1.5418","CuKα","","","","","","","","","13.6031","","","","","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330457","4.06894","0.00005","4.06894","0.00005","17.876","0.0002","90","","90","","90","","295.96","0.006","298","2","298","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Cu3.03 Mn2 O4 Se4 Sr4 -","- Cu3.032 Mn2 O4 Se4 Sr4 -","- Cu3.032 Mn2 O4 Se4 Sr4 -","1","0.03125","","Shifeng Jin; Xiaolong Chen; Jiangang Guo; Ming Lei; Jingjing Lin; Jianguo Xi; Wenjun Wang; Wanyan Wang","Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)","Inorganic Chemistry","2012","51","","10185","10192","10.1021/ic301022g","powder diffraction","","1.5418","CuKα","","","","","","","","","16.5326","","","","","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330458","11.9","0.06","11.9","0.06","11.9","0.06","90","","90","","90","","1685","15","298","2","298","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Al4.45 Cu8.56 La -","- Al4.446 Cu8.554 La -","- Al35.568 Cu68.432 La8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0206","0.0183","","","0.0348","0.0355","","","","","","1.135","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330459","11.87","0.02","11.87","0.02","11.87","0.02","90","","90","","90","","1672","5","298","2","298","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Al4.64 Ce Cu8.36 -","- Al4.646 Ce Cu8.354 -","- Al37.168 Ce8 Cu66.832 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0218","0.0198","","","0.0406","0.0415","","","","","","1.173","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330460","11.852","0.005","11.852","0.005","11.852","0.005","90","","90","","90","","1664.8","1.2","298","2","298","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Al4.15 Cu8.85 Pr -","- Al4.154 Cu8.846 Pr -","- Al33.232 Cu70.768 Pr8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0222","0.0196","","","0.0359","0.0364","","","","","","1.076","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330461","11.932","0.005","11.932","0.005","11.932","0.005","90","","90","","90","","1698.8","1.2","298","2","298","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Al4.61 Cu8.39 Eu -","- Al4.603 Cu8.397 Eu -","- Al36.824 Cu67.176 Eu8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0297","0.0235","","","0.0419","0.0431","","","","","","1.008","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330462","11.9","0.06","11.9","0.06","11.9","0.06","90","","90","","90","","1685","15","298","1","298","1","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.53 Cu6.33 Ga1.97 La -","- Al4.5312 Cu6.3299 Ga1.9668 La -","- Al36.2496 Cu50.6392 Ga15.7344 La8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0206","0.0184","","","0.0396","0.0402","","","","","","1.181","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330463","11.87","0.02","11.87","0.02","11.87","0.02","90","","90","","90","","1672","5","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al3.95 Ce Cu6.62 Ga2.28 -","- Al3.9552 Ce Cu6.6203 Ga2.2752 -","- Al31.6416 Ce8 Cu52.9624 Ga18.2016 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0241","0.0225","","","0.0596","0.0602","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330464","11.852","0.005","11.852","0.005","11.852","0.005","90","","90","","90","","1664.8","1.2","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.15 Cu6.04 Ga2.66 Pr -","- Al4.152 Cu6.0402 Ga2.664 Pr -","- Al33.216 Cu48.3216 Ga21.312 Pr8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0217","0.0193","","","0.0348","0.0353","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330465","11.932","0.005","11.932","0.005","11.932","0.005","90","","90","","90","","1698.8","1.2","298","2","298","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.42 Cu5.87 Eu Ga2.48 -","- Al4.4172 Cu5.8699 Eu Ga2.4804 -","- Al35.3376 Cu46.9592 Eu8 Ga19.8432 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","","0.71073","MoKα","","0.0314","0.0253","","","0.047","0.0481","","","","","","1.125","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330466","11.863","0.003","11.863","0.003","11.863","0.003","90","","90","","90","","1669.5","0.7","296","2","296","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al3.95 Ce Cu6.62 Ga2.28 -","- Al3.96 Ce Cu6.6206 Ga2.28 -","- Al31.68 Ce8 Cu52.9648 Ga18.24 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","neutron","","neutron","","0.0502","0.0501","","","0.1424","0.1425","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330467","11.858","0.004","11.858","0.004","11.858","0.004","90","","90","","90","","1667.4","1","296","2","296","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al3.02 Cu6.04 Ga3.84 Pr -","- Al3.024 Cu6.0398 Ga3.84 Pr -","- Al24.192 Cu48.3184 Ga30.72 Pr8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","neutron","","neutron","","0.051","0.051","","","0.1398","0.1399","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330468","11.921","0.003","11.921","0.003","11.921","0.003","90","","90","","90","","1694.1","0.7","296","2","296","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.42 Cu5.87 Eu Ga2.48 -","- Al4.44 Cu5.8694 Eu Ga2.52 -","- Al35.52 Cu46.9552 Eu8 Ga20.16 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","neutron","","neutron","","0.0767","0.0767","","","0.1935","0.1935","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330469","11.897","0.004","11.897","0.004","11.897","0.004","90","","90","","90","","1683.9","1","296","2","296","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Al4.53 Cu6.33 Ga1.97 La -","- Al4.56 Cu6.33 Ga1.968 La -","- Al36.48 Cu50.64 Ga15.744 La8 -","8","0.0416667","","W. Adam Phelan; Michael J. Kangas; Gregory T. McCandless; Brenton L. Drake; Neel Haldolaarachchige; Liang L. Zhao; Jiakui K. Wang; Xiaoping P. Wang; David P. Young; Emilia Morosan; Christina Hoffmann; Julia Y. Chan","Synthesis, Structure, and Physical Properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x","Inorganic Chemistry","2012","51","","10193","10202","10.1021/ic301024t","","neutron","","neutron","","0.0571","0.0571","","","0.1553","0.1555","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330470","12.8187","0.0013","23.343","0.002","27.448","0.003","90","","93.054","0.005","90","","8201.5","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H101 Dy2 N5 O19 Zn2 -","- C77 H92 Dy2 N5 O19 Zn2 -","- C308 H368 Dy8 N20 O76 Zn8 -","4","1","","Sk Md Towsif Abtab; Manoranjan Maity; Kisholoy Bhattacharya; E. Carolina Sañudo; Muktimoy Chaudhury","Syntheses, Structures, and Magnetic Properties of a Family of Tetranuclear Hydroxido-Bridged NiII2LnIII2 (Ln = La, Gd, Tb, and Dy) Complexes: Display of Slow Magnetic Relaxation by the Zinc(II)-Dysprosium(III) Analogue","Inorganic Chemistry","2012","51","","10211","10221","10.1021/ic301138r","","","0.71073","MoKα","","0.0818","0.0624","","","0.1921","0.202","","","","","","1.361","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330471","12.6254","0.0007","23.2459","0.0013","27.3308","0.0016","90","","92.947","0.002","90","","8010.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H97 Dy2 N5 Ni2 O17 -","- C77 H91 Dy2 N5 Ni2 O17 -","- C308 H364 Dy8 N20 Ni8 O68 -","4","1","","Sk Md Towsif Abtab; Manoranjan Maity; Kisholoy Bhattacharya; E. Carolina Sañudo; Muktimoy Chaudhury","Syntheses, Structures, and Magnetic Properties of a Family of Tetranuclear Hydroxido-Bridged NiII2LnIII2 (Ln = La, Gd, Tb, and Dy) Complexes: Display of Slow Magnetic Relaxation by the Zinc(II)-Dysprosium(III) Analogue","Inorganic Chemistry","2012","51","","10211","10221","10.1021/ic301138r","","","0.71073","MoKα","","0.0985","0.069","","","0.2031","0.2211","","","","","","1.404","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330472","12.5011","0.0005","23.4242","0.001","28.2129","0.0012","90","","92.853","0.002","90","","8251.3","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H103 Cl La2 N4 Ni2 O20 -","- C78 H95 Cl La2 N4 Ni2 O20 -","- C312 H380 Cl4 La8 N16 Ni8 O80 -","4","1","","Sk Md Towsif Abtab; Manoranjan Maity; Kisholoy Bhattacharya; E. Carolina Sañudo; Muktimoy Chaudhury","Syntheses, Structures, and Magnetic Properties of a Family of Tetranuclear Hydroxido-Bridged NiII2LnIII2 (Ln = La, Gd, Tb, and Dy) Complexes: Display of Slow Magnetic Relaxation by the Zinc(II)-Dysprosium(III) Analogue","Inorganic Chemistry","2012","51","","10211","10221","10.1021/ic301138r","","","0.71073","MoKα","","0.0861","0.0627","","","0.1835","0.197","","","","","","1.322","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330473","12.6371","0.0005","23.2036","0.001","27.4871","0.0011","90","","93.003","0.002","90","","8048.9","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H97 N5 Ni2 O17 Tb2 -","- C77 H87 N5 Ni2 O17 Tb2 -","- C308 H348 N20 Ni8 O68 Tb8 -","4","1","","Sk Md Towsif Abtab; Manoranjan Maity; Kisholoy Bhattacharya; E. Carolina Sañudo; Muktimoy Chaudhury","Syntheses, Structures, and Magnetic Properties of a Family of Tetranuclear Hydroxido-Bridged NiII2LnIII2 (Ln = La, Gd, Tb, and Dy) Complexes: Display of Slow Magnetic Relaxation by the Zinc(II)-Dysprosium(III) Analogue","Inorganic Chemistry","2012","51","","10211","10221","10.1021/ic301138r","","","0.71073","MoKα","","0.0901","0.0684","","","0.2154","0.2276","","","","","","1.547","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330474","7.5359","0.0003","7.5524","0.0003","18.305","0.0009","90","","90","","90","","1041.81","0.08","293","","293","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C4 H6 Mn2 O8 P2 S -","- C4 H6 Mn2 O8 P2 S -","- C16 H24 Mn8 O32 P8 S4 -","4","0.5","","Jean-Michel Rueff; Olivier Perez; Alain Pautrat; Nicolas Barrier; Gary B. Hix; Sylvie Hernot; Hélène Couthon-Gourvès; Paul-Alain Jaffrès","Structural Study of Hydrated/Dehydrated Manganese Thiophene-2,5-diphosphonate Metal Organic Frameworks, Mn2(O3P-C4H2S-PO3).2H2O","Inorganic Chemistry","2012","51","","10251","10261","10.1021/ic301187y","","","0.71069","MoKα","","0.0743","0.0443","","","0.0738","0.0824","","","","1.48","1.48","1.37","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4330475","11.621","0.01","4.968","0.005","19.669","0.013","90","","107.16","0.06","90","","1085","1.6","293","","293","","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C4 H6 Mn2 O8 P2 S -","- C4 H6 Mn2 O8 P2 S -","- C16 H24 Mn8 O32 P8 S4 -","4","2","","Jean-Michel Rueff; Olivier Perez; Alain Pautrat; Nicolas Barrier; Gary B. Hix; Sylvie Hernot; Hélène Couthon-Gourvès; Paul-Alain Jaffrès","Structural Study of Hydrated/Dehydrated Manganese Thiophene-2,5-diphosphonate Metal Organic Frameworks, Mn2(O3P-C4H2S-PO3).2H2O","Inorganic Chemistry","2012","51","","10251","10261","10.1021/ic301187y","","","0.71069","MoKα","","0.2076","0.039","","","0.0389","0.0612","","","","1.59","1.59","1.55","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4330476","6.2715","0.0013","15.055","0.003","19.748","0.004","96.31","0.03","95.38","0.03","92.78","0.03","1841.8","0.7","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H38 F12 N4 O P2 S2 Zn -","- C29 H34 F12 N4 O P2 S2 Zn -","- C58 H68 F24 N8 O2 P4 S4 Zn2 -","2","1","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.0847","0.0597","","","0.1501","0.1651","","","","","","1.06","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330477","6.2296","0.0012","15.48","0.003","20.076","0.004","80.93","0.03","82.28","0.03","88.58","0.03","1894.5","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H37 F12 N5 P2 S2 Zn -","- C32 H37 F12 N5 P2 S2 Zn -","- C64 H74 F24 N10 P4 S4 Zn2 -","2","1","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.0918","0.0612","","","0.123","0.1378","","","","","","1.082","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330478","14.977","0.003","10.515","0.002","27.182","0.005","90","","103.19","0.03","90","","4167.8","1.5","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C66 H79 F24 N9 P4 S4 Zn2 -","- C66 H76 F24 N9 P4 S4 Zn2 -","- C132 H152 F48 N18 P8 S8 Zn4 -","2","0.5","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.1368","0.0995","","","0.2183","0.2415","","","","","","1.166","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330479","23.134","0.005","12.825","0.003","16.59","0.003","90","","133","0.03","90","","3600","2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 F12 N6 P2 S2 Zn -","- C26 H38 F12 N6 P2 S2 Zn -","- C104 H152 F48 N24 P8 S8 Zn4 -","4","0.5","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.053","0.0395","","","0.0995","0.1062","","","","","","1.036","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330480","35.349","0.007","10.044","0.002","10.502","0.002","90","","106.03","0.03","90","","3583.7","1.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 F12 N7 P2 S2 Zn -","- C29 H35 F12 N7 P2 S2 Zn -","- C116 H140 F48 N28 P8 S8 Zn4 -","4","0.5","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.1369","0.0818","","","0.2016","0.2325","","","","","","0.868","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330481","27.304","0.006","10.628","0.002","34.147","0.007","90","","110.69","0.03","90","","9270","4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Co F18 N6 P3 S2 -","- C38 H42 Co F18 N6 P3 S2 -","- C304 H336 Co8 F144 N48 P24 S16 -","8","1","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.096","0.0803","","","0.1698","0.1781","","","","","","1.195","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330482","10.432","0.002","15.746","0.003","31.076","0.006","90","","90","","90","","5104.6","1.7","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 Co F18 N7 P3 S2 -","- C44 H45 Co F18 N7 P3 S2 -","- C176 H180 Co4 F72 N28 P12 S8 -","4","1","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.091","0.0671","","","0.1313","0.1459","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330483","10.841","0.002","15.231","0.003","18.674","0.004","111.61","0.03","100.66","0.03","94.32","0.03","2782.3","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H108 Co2 F36 N14 O P6 S4 -","- C88 H106 Co2 F36 N14 O P6 S4 -","- C88 H106 Co2 F36 N14 O P6 S4 -","1","0.5","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.1098","0.0806","","","0.2257","0.2525","","","","","","1","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330484","8.7041","0.0017","11.955","0.002","15.116","0.003","70.07","0.03","74.73","0.03","84.35","0.03","1426.5","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H30 Cl Co F6 N6 P S -","- C24 H30 Cl Co F6 N6 P S -","- C48 H60 Cl2 Co2 F12 N12 P2 S2 -","2","1","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.055","0.0398","","","0.0976","0.1049","","","","","","1.018","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330485","8.705","0.0005","6.6081","0.0004","11.1731","0.0007","90","","99.1048","0.001","90","","634.62","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 K N O5 -","- C15 H10 K N O5 -","- C30 H20 K2 N2 O10 -","2","1","","Daniel L. Reger; Andrew P. Leitner; Mark D. Smith","Homochiral Helical Metal-Organic Frameworks of Potassium","Inorganic Chemistry","2012","51","","10071","10073","10.1021/ic301228j","","","0.71073","MoKα","","0.0318","0.0311","","","0.0819","0.0824","","","","","","1.102","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330486","6.8979","0.0005","14.3515","0.001","14.5164","0.001","90","","90","","90","","1437.05","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 K N O5 -","- C16 H14 K N O5 -","- C64 H56 K4 N4 O20 -","4","1","","Daniel L. Reger; Andrew P. Leitner; Mark D. Smith","Homochiral Helical Metal-Organic Frameworks of Potassium","Inorganic Chemistry","2012","51","","10071","10073","10.1021/ic301228j","","","0.71073","MoKα","","0.029","0.0277","","","0.0721","0.0727","","","","","","1.07","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330487","10.64","0.0014","13.8195","0.0018","17.468","0.002","99.426","0.002","103.926","0.002","111.921","0.002","2219.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H47 Cl Fe3 N7 -","- C52 H47 Cl Fe3 N7 -","- C104 H94 Cl2 Fe6 N14 -","2","1","","Emily V. Eames; Theodore A. Betley","Site-Isolated Redox Reactivity in a Trinuclear Iron Complex","Inorganic Chemistry","2012","51","","10274","10278","10.1021/ic301241s","","","0.71073","MoKα","","0.0833","0.0538","","","0.1304","0.1419","","","","","","1.042","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330488","20.5157","0.0019","16.5388","0.0015","26.062","0.002","90","","99.657","0.002","90","","8717.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C103 H93 Cl2 Fe6 N12 -","- C103 H93 Cl2 Fe6 N12 -","- C412 H372 Cl8 Fe24 N48 -","4","0.5","","Emily V. Eames; Theodore A. Betley","Site-Isolated Redox Reactivity in a Trinuclear Iron Complex","Inorganic Chemistry","2012","51","","10274","10278","10.1021/ic301241s","","","0.71073","MoKα","","0.0541","0.0367","","","0.1162","0.1327","","","","","","0.944","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330489","11.6808","0.0008","35.637","0.002","12.7385","0.0009","90","","103.826","0.001","90","","5149","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H68 Br Fe3 N6 O4 -","- C57 H68 Br Fe3 N6 O4 -","- C228 H272 Br4 Fe12 N24 O16 -","4","1","","Emily V. Eames; Theodore A. Betley","Site-Isolated Redox Reactivity in a Trinuclear Iron Complex","Inorganic Chemistry","2012","51","","10274","10278","10.1021/ic301241s","","","0.71073","MoKα","","0.12","0.0553","","","0.1076","0.1271","","","","","","1.017","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330490","20.5157","0.0019","16.5388","0.0015","26.062","0.002","90","","99.657","0.002","90","","8717.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C103 H93 Br2 Fe6 N12 -","- C103 H93 Br2 Fe6 N12 -","- C412 H372 Br8 Fe24 N48 -","4","0.5","","Emily V. Eames; Theodore A. Betley","Site-Isolated Redox Reactivity in a Trinuclear Iron Complex","Inorganic Chemistry","2012","51","","10274","10278","10.1021/ic301241s","","","0.71073","MoKα","","0.0641","0.041","","","0.0834","0.0919","","","","","","1.049","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330491","12.984","0.003","13.21","0.003","14.734","0.003","86.701","0.003","80.278","0.003","77.288","0.003","2429.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H53 Fe3 I N6 O -","- C54 H53 Fe3 I N6 O -","- C108 H106 Fe6 I2 N12 O2 -","2","1","","Emily V. Eames; Theodore A. Betley","Site-Isolated Redox Reactivity in a Trinuclear Iron Complex","Inorganic Chemistry","2012","51","","10274","10278","10.1021/ic301241s","","","0.71073","MoKα","","0.0683","0.0479","","","0.1318","0.1453","","","","","","1.046","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330492","12.62432","0.00013","16.70885","0.00018","13.70225","0.00015","90","","90","","90","","2890.32","0.05","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 B Fe N8 O4 -","- C24 H35 B Fe N8 O4 -","- C96 H140 B4 Fe4 N32 O16 -","4","1","","Heaweon Park; Michael M. Bittner; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity","Inorganic Chemistry","2012","51","","10279","10289","10.1021/ic3012712","","","0.7107","MoKα","","0.0251","0.0226","","","0.0608","0.0615","","","","","","1.057","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330493","12.209","0.0003","13.0283","0.0004","17.0877","0.0005","95.921","0.003","103.201","0.003","117.095","0.003","2287.49","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H44 B Cl3 Fe N6 O4 -","- C51.5 H44 B Cl3 Fe N6 O4 -","- C103 H88 B2 Cl6 Fe2 N12 O8 -","2","1","","Heaweon Park; Michael M. Bittner; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity","Inorganic Chemistry","2012","51","","10279","10289","10.1021/ic3012712","","","0.7107","MoKα","","0.0463","0.0364","","","0.0861","0.0925","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330494","38.1369","0.0008","13.5597","0.0003","20.5303","0.0004","90","","104.121","0.002","90","","10295.9","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 B Fe N7 O4 -","- C60 H52 B Fe N7 O4 -","- C480 H416 B8 Fe8 N56 O32 -","8","2","","Heaweon Park; Michael M. Bittner; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity","Inorganic Chemistry","2012","51","","10279","10289","10.1021/ic3012712","","","1.5418","CuKα","","0.057","0.0525","","","0.1393","0.143","","","","","","1.04","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330495","7.93066","0.00019","19.6395","0.0003","20.7317","0.0005","90","","91.126","0.002","90","","3228.43","0.12","100","1","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 B Cl0.69 F3 Fe N8 O3 -","- C27 H31 B Cl0.692 F3 Fe N8 O3 -","- C108 H124 B4 Cl2.768 F12 Fe4 N32 O12 -","4","1","","Heaweon Park; Michael M. Bittner; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity","Inorganic Chemistry","2012","51","","10279","10289","10.1021/ic3012712","","","1.5418","CuKα","","0.0546","0.0478","","","0.1268","0.1303","","","","","","1.122","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330496","15.8198","0.001","22.6357","0.0016","19.161","0.001","90","","90","","90","","6861.4","0.7","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C63.96 H72.94 B2 Fe3 N14.98 O10 -","- C63.964 H70.946 B2 Fe3 N14.982 O10 -","- C255.856 H283.784 B8 Fe12 N59.928 O40 -","4","0.5","","Heaweon Park; Michael M. Bittner; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity","Inorganic Chemistry","2012","51","","10279","10289","10.1021/ic3012712","","","1.5418","CuKα","","0.1035","0.0781","","","0.2048","0.2255","","","","","","1.041","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330497","10.887","0.0003","12.6456","0.0003","14.2454","0.0003","70.424","0.001","71.397","0.001","74.655","0.001","1723.75","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H68 B2 Fe N12 -","- C90 H68 B2 Fe N12 -","- C90 H68 B2 Fe N12 -","1","0.5","","Heaweon Park; Michael M. Bittner; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity","Inorganic Chemistry","2012","51","","10279","10289","10.1021/ic3012712","","","1.54178","CuKα","","0.0354","0.0326","","","0.0823","0.084","","","","","","1.025","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330498","19.113","0.0011","19.1558","0.0011","39.478","0.002","90","","90","","90","","14453.9","1.4","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H39 Mn3 N9 -","- C38 H39 Mn3 N9 -","- C608 H624 Mn48 N144 -","16","2","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0477","0.0362","","","0.0925","0.1021","","","","","","1.034","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330499","12.7326","0.0015","13.2825","0.0018","17.604","0.002","85.291","0.004","79.491","0.003","73.582","0.005","2806.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H67 Mn3 N9 O2 -","- C64 H67 Mn3 N9 O2 -","- C128 H134 Mn6 N18 O4 -","2","1","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.042","0.0334","","","0.0829","0.0885","","","","","","1.036","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330500","20.601","0.006","11.979","0.004","27.764","0.008","90","","99.332","0.006","90","","6761","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 Mn3 N9 -","- C65 H69 Mn3 N9 -","- C260 H276 Mn12 N36 -","4","1","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0919","0.0507","","","0.1057","0.1141","","","","","","1.074","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330501","12.5258","0.0014","12.5284","0.0014","18.163","0.002","70.206","0.002","86.518","0.002","61.611","0.001","2342","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H60 Co3 N6 P3 -","- C50 H60 Co3 N6 P3 -","- C100 H120 Co6 N12 P6 -","2","1","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0416","0.0298","","","0.065","0.0703","","","","","","1.023","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330502","19.9023","0.0013","19.9023","0.0013","19.6805","0.0014","90","","90","","90","","7795.5","0.9","100","2","100","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C33 H50 Co3 N6 P3 -","- C33 H50 Co3 N6 P3 -","- C264 H400 Co24 N48 P24 -","8","0.5","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0575","0.0485","","","0.1235","0.1295","","","","","","1.002","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330503","11.0206","0.0008","36.583","0.003","12.9112","0.0009","90","","102.393","0.001","90","","5084.1","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H135 Co6 N12 P6 -","- C105 H135 Co6 N12 P6 -","- C210 H270 Co12 N24 P12 -","2","1","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.034","0.0312","","","0.0886","0.0899","","","","","","1.087","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330504","28.5159","0.0017","28.5159","0.0017","28.5159","0.0017","90","","90","","90","","23188","2","100","2","100","2","","","","","","","","6","R 3 :R","P 3*","146","","","","- C1076 H1176 Co48 N96 O9 P48 -","- C1074.66 H1175.88 Co48 N96 O9 P48 -","- C1074.66 H1175.88 Co48 N96 O9 P48 -","1","0.333333","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.1384","0.0704","","","0.1422","0.169","","","","","","1.025","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330505","18.2484","0.0017","12.8958","0.0012","41.2","0.004","90","","90","","90","","9695.5","1.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C57 H58 Co3 N6 P2 -","- C57 H58 Co3 N6 P2 -","- C456 H464 Co24 N48 P16 -","8","2","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0472","0.032","","","0.0623","0.067","","","","","","1.013","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330506","10.877","0.004","17.822","0.007","25.844","0.01","90","","93.949","0.008","90","","4998","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H75 Co3 F6 N6 O3 P4 -","- C44 H75 Co3 F6 N6 O3 P4 -","- C176 H300 Co12 F24 N24 O12 P16 -","4","1","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.2229","0.0985","","","0.203","0.2573","","","","","","1.027","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330507","10.877","0.008","12.52","0.009","20.852","0.015","77.709","0.012","77.151","0.013","81.925","0.012","2692","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H138 Co6 F12 N12 O3 P8 -","- C106 H138 Co6 F12 N12 O3 P8 -","- C106 H138 Co6 F12 N12 O3 P8 -","1","0.5","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0875","0.0517","","","0.1232","0.1433","","","","","","0.975","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330508","20.251","0.002","20.251","0.002","25.625","0.003","90","","90","","120","","9101","1.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H75 Co3 F6 N6 P4 -","- C66 H75 Co3 F6 N6 P4 -","- C396 H450 Co18 F36 N36 P24 -","6","0.333333","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0519","0.0354","","","0.0808","0.0879","","","","","","1.026","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330509","12.6987","0.0014","12.6987","0.0014","11.4114","0.0013","90","","90","","120","","1593.6","0.3","100","2","100","2","","","","","","","","7","P 3","P 3","143","","","","- C67 H73 Co3 F6 N6 O0.5 P4 -","- C67.04 H73.05 Co3 F5.94 N6 O0.51 P3.99 -","- C67.04 H73.05 Co3 F5.94 N6 O0.51 P3.99 -","1","0.333333","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0277","0.0265","","","0.0718","0.0725","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330510","6.9242","0.0002","4.138","0.0001","7.9618","0.0002","90","","90","","90","","228.124","0.01","293","","293","","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","","","- Al0.45 Mg1.55 Si -","- Al0.45 Mg1.55 Si -","- Al1.8 Mg6.2 Si4 -","4","0.5","","Shidong Ji; Masashi Tanaka; Shuai Zhang; Shoji Yamanaka","High Pressure Synthesis and Superconductivity of the Ternary Compounds Mg(Mg1-xAlx)Si with the Anticotunnite Structure","Inorganic Chemistry","2012","51","","10300","10305","10.1021/ic301296u","","x-ray","0.71069","MoKα","","0.0214","0.0162","","","0.0297","0.0329","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330511","8.5743","0.0002","15.2402","0.0003","14.1749","0.0003","90","","94.841","0.002","90","","1845.68","0.07","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Al17.397 Fe8 Si7.603 -","- Al17.3968 Fe8 Si7.6032 -","- Al69.5872 Fe32 Si30.4128 -","4","1","","Rie T. Fredrickson; Daniel C. Fredrickson","Fragmentation of the Fluorite Type in Fe8Al17.4Si7.6: Structural Complexity in Intermetallics Dictated by the 18 Electron Rule","Inorganic Chemistry","2012","51","","10341","10349","10.1021/ic3015089","","","0.71069","MoKα","","0.0487","0.0212","","","0.0405","0.0421","","","","1.67","1.67","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330512","43.5971","0.0009","43.5971","0.0009","43.5971","0.0009","90","","90","","90","","82865","3","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C78 H83 Cu3 N3 O21 Si -","- C42 H22.02 Cu3 O16 Si -","- C1344 H704.64 Cu96 O512 Si32 -","32","0.166667","","XiaoLiang Zhao; Di Sun; Shuai Yuan; Shengyu Feng; Rong Cao; Daqiang Yuan; Suna Wang; Jianmin Dou; Daofeng Sun","Comparison of the Effect of Functional Groups on Gas-Uptake Capacities by Fixing the Volumes of Cages A and B and Modifying the Inner Wall of Cage C in rht-Type MOFs","Inorganic Chemistry","2012","51","","10350","10355","10.1021/ic3015207","","","0.71073","MoKα","","0.056","0.0532","","","0.1512","0.1541","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330513","43.6931","0.0001","43.6931","0.0001","43.6931","0.0001","90","","90","","90","","83413.9","0.3","173","2","173","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C43 H30 Cu3 O15 Si -","- C43 H24.06 Cu3 O15 Si -","- C1376 H769.92 Cu96 O480 Si32 -","32","0.166667","","XiaoLiang Zhao; Di Sun; Shuai Yuan; Shengyu Feng; Rong Cao; Daqiang Yuan; Suna Wang; Jianmin Dou; Daofeng Sun","Comparison of the Effect of Functional Groups on Gas-Uptake Capacities by Fixing the Volumes of Cages A and B and Modifying the Inner Wall of Cage C in rht-Type MOFs","Inorganic Chemistry","2012","51","","10350","10355","10.1021/ic3015207","","","0.71073","MoKα","","0.0897","0.084","","","0.245","0.2527","","","","","","1.071","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330514","43.5592","0.0007","43.5592","0.0007","43.5592","0.0007","90","","90","","90","","82649","2","140","2","140","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C46 H21 Cu3 O15 Si -","- C46.03 H21 Cu3 O15 Si -","- C1472.96 H672 Cu96 O480 Si32 -","32","0.166667","","XiaoLiang Zhao; Di Sun; Shuai Yuan; Shengyu Feng; Rong Cao; Daqiang Yuan; Suna Wang; Jianmin Dou; Daofeng Sun","Comparison of the Effect of Functional Groups on Gas-Uptake Capacities by Fixing the Volumes of Cages A and B and Modifying the Inner Wall of Cage C in rht-Type MOFs","Inorganic Chemistry","2012","51","","10350","10355","10.1021/ic3015207","","","1.54178","CuKα","","0.112","0.1041","","","0.3684","0.3786","","","","","","1.584","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330515","14.9","0.003","21.774","0.004","16.047","0.003","90","","90","","90","","5206.2","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80 H132 B15 Cl3 Mo13 -","- C80 H132 B15 Cl3 Mo13 -","- C160 H264 B30 Cl6 Mo26 -","2","0.25","","Bellie Sundaram Krishnamoorthy; Arunabha Thakur; Kiran Kumar Varma Chakrahari; Shubhankar Kumar Bose; Paul Hamon; Thierry Roisnel; Samia Kahlal; Sundargopal Ghosh; Jean-François Halet","Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals","Inorganic Chemistry","2012","51","","10375","10383","10.1021/ic301571e","","","0.71073","MoKα","","0.0583","0.0448","","","0.1054","0.11","","","","","","1.189","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330516","15.1781","0.0003","32.341","0.0007","16.5167","0.0003","90","","114.685","0.001","90","","7366.7","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B4 Mo2 S2 -","- C20 H34 B4 Mo2 S2 -","- C240 H408 B48 Mo24 S24 -","12","3","","Bellie Sundaram Krishnamoorthy; Arunabha Thakur; Kiran Kumar Varma Chakrahari; Shubhankar Kumar Bose; Paul Hamon; Thierry Roisnel; Samia Kahlal; Sundargopal Ghosh; Jean-François Halet","Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals","Inorganic Chemistry","2012","51","","10375","10383","10.1021/ic301571e","","x-ray","0.71073","MoKα","","0.0997","0.0721","","","0.1841","0.2071","","","","","","1.022","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330517","11.0648","0.0006","12.3888","0.0007","20.0121","0.0011","90","","102.586","0.003","90","","2677.3","0.3","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N4 O14 P2 V2 -","- C20 H26 N4 O14 P2 V2 -","- C80 H104 N16 O56 P8 V8 -","4","0.5","","Nadia Marino; Susan K. Hanson; Peter Müller; Robert P. Doyle","Pyro without Fire: Synthesis, Structure, and Reactivity of a Dimeric Vanadyl Pyrophosphate Coordination Complex","Inorganic Chemistry","2012","51","","10077","10079","10.1021/ic3015767","","","1.54178","CuKα","","0.0329","0.031","","","0.0858","0.0871","","","","","","1.032","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330518","25.521","0.0018","14.1139","0.001","17.2119","0.0012","90","","126.084","0.001","90","","5010.3","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N6 O11 P2 V2 -","- C44 H38 N6 O11 P2 V2 -","- C176 H152 N24 O44 P8 V8 -","4","0.5","","Nadia Marino; Susan K. Hanson; Peter Müller; Robert P. Doyle","Pyro without Fire: Synthesis, Structure, and Reactivity of a Dimeric Vanadyl Pyrophosphate Coordination Complex","Inorganic Chemistry","2012","51","","10077","10079","10.1021/ic3015767","","","0.71073","MoKα","","0.0465","0.0397","","","0.1123","0.1165","","","","","","1.027","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330519","9.6373","0.0005","5.3278","0.0003","18.8468","0.001","90","","96.074","0.001","90","","962.27","0.09","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","cerium tellurite chloirde","","","- Ce2 Cl2 O17 Te7 -","- Ce2 Cl2 O17 Te7 -","- Ce4 Cl4 O34 Te14 -","2","0.5","","Jian Lin; Juan Diwu; Justin N. Cross; Eric M. Villa; Thomas E. Albrecht-Schmitt","Cerium(IV) Tellurite Halides [Ce2Te7O17]X2 (X = Cl- or Br-): The First Cerium-Containing Cationic Frameworks","Inorganic Chemistry","2012","51","","10083","10085","10.1021/ic301628q","","","0.71073","MoKα","","0.013","0.0121","","","0.0265","0.0267","","","","","","1.116","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330520","9.718","0.003","5.3929","0.0018","19.025","0.006","90","","97.067","0.003","90","","989.5","0.5","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","cerium tellurite bromide","","","- Br2 Ce2 O17 Te7 -","- Br2 Ce2 O17 Te7 -","- Br4 Ce4 O34 Te14 -","2","0.5","","Jian Lin; Juan Diwu; Justin N. Cross; Eric M. Villa; Thomas E. Albrecht-Schmitt","Cerium(IV) Tellurite Halides [Ce2Te7O17]X2 (X = Cl- or Br-): The First Cerium-Containing Cationic Frameworks","Inorganic Chemistry","2012","51","","10083","10085","10.1021/ic301628q","","","0.71073","MoKα","","0.0137","0.013","","","0.0298","0.0301","","","","","","1.094","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330521","11.2946","0.0007","26.3024","0.0012","22.2793","0.0009","90","","97.591","0.003","90","","6560.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N2 O7 P2 W -","- C34 H26 N2 O7 P2 W -","- C272 H208 N16 O56 P16 W8 -","8","2","","Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel","Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids","Inorganic Chemistry","2012","51","","10408","10416","10.1021/ic301641z","","","0.71073","MoKα","","0.0548","0.0449","","","0.1291","0.1357","","","","","","1.129","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330522","10.918","0.0004","9.9022","0.0006","18.843","0.0009","90","","98.05","0.003","90","","2017.08","0.17","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N2 O5 P S -","- C19 H23 N2 O5 P S -","- C76 H92 N8 O20 P4 S4 -","4","1","","Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel","Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids","Inorganic Chemistry","2012","51","","10408","10416","10.1021/ic301641z","","","0.71073","MoKα","","0.0835","0.0572","","","0.1561","0.1701","","","","","","1.061","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330523","6.2891","0.0002","15.0951","0.0005","23.4063","0.0005","90","","90","","90","","2222.07","0.11","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Mo N2 O6 P -","- C22 H17 Mo N2 O6 P -","- C88 H68 Mo4 N8 O24 P4 -","4","1","","Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel","Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids","Inorganic Chemistry","2012","51","","10408","10416","10.1021/ic301641z","","","0.71073","MoKα","","0.065","0.0367","","","0.0651","0.0726","","","","","","0.953","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330524","11.3096","0.0003","12.1053","0.0004","16.3865","0.0007","68.904","0.002","74.595","0.002","75.539","0.002","1988.02","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H42 N2 O8 P2 W -","- C41 H42 N2 O8 P2 W -","- C82 H84 N4 O16 P4 W2 -","2","1","","Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel","Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids","Inorganic Chemistry","2012","51","","10408","10416","10.1021/ic301641z","","","0.71073","MoKα","","0.0416","0.032","","","0.0654","0.068","","","","","","0.993","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330525","12.674","0.004","13.068","0.005","13.067","0.005","90","","102.7","0.05","90","","2111.3","1.4","298","2","298","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C42 H37 B Cl2 F4 O P2 S W2 -","- C42 H35 B Cl2 F4 O P2 S W2 -","- C84 H70 B2 Cl4 F8 O2 P4 S2 W4 -","2","1","","Fernanda Cimadevilla; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio","Reactions of the Unsaturated Hydroxo Complex [W2Cp2(OH)(μ-PPh2)2(CO)]BF4 with Mono- and Bidentate Ligands Having E-H bonds (E = O, S, N)","Inorganic Chemistry","2012","51","","10427","10436","10.1021/ic301674k","","","0.71073","MoKα","","0.0525","0.0355","","","0.0804","0.0858","","","","","","0.928","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330526","10.553","0.005","18.183","0.004","19.853","0.005","90","","98.31","0.03","90","","3769","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C83 H70 Cl2 O6 P4 W4 -","- C83 H68 Cl2 O6 P4 W4 -","- C166 H136 Cl4 O12 P8 W8 -","2","1","","Fernanda Cimadevilla; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio","Reactions of the Unsaturated Hydroxo Complex [W2Cp2(OH)(μ-PPh2)2(CO)]BF4 with Mono- and Bidentate Ligands Having E-H bonds (E = O, S, N)","Inorganic Chemistry","2012","51","","10427","10436","10.1021/ic301674k","","","0.71073","MoKα","","0.0765","0.0415","","","0.1022","0.1088","","","","","","0.929","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330527","21.2114","0.001","10.9132","0.0011","20.5111","0.001","90","","116.631","0.006","90","","4244.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl2 Fe Mn N5 O15 -","- C38 H44 Cl2 Fe Mn N5 O15 -","- C152 H176 Cl8 Fe4 Mn4 N20 O60 -","4","1","","Michaël Carboni; Martin Clémancey; Florian Molton; Jacques Pécaut; Colette Lebrun; Lionel Dubois; Geneviève Blondin; J.-M. Latour","Biologically Relevant Heterodinuclear Iron-Manganese Complexes","Inorganic Chemistry","2012","51","","10447","10460","10.1021/ic301725z","","","0.71073","MoKα","","0.0692","0.0396","","","0.0787","0.084","","","","","","0.889","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330528","16.093","0.002","18.429","0.0014","29.824","0.004","90","","91.442","0.011","90","","8842.3","1.8","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H102 Co5 N4 O24.5 -","- C81.5 H102 Co5 N4 O24.5 -","- C326 H408 Co20 N16 O98 -","4","1","","Angelos B. Canaj; Demetrios I. Tzimopoulos; Aggelos Philippidis; George E. Kostakis; Constantinos J. Milios","Employment of a New Tripodal Ligand for the Synthesis of Cobalt(II/III), Nickel(II), and Copper(II) Clusters: Magnetic, Optical, and Thermal Properties","Inorganic Chemistry","2012","51","","10461","10470","10.1021/ic301744e","","","0.71073","MoKα","","0.2023","0.085","","","0.1528","0.1884","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330529","8.7371","0.0017","13.993","0.002","15.172","0.003","110.521","0.013","103.869","0.015","103.934","0.014","1575.2","0.6","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N4 Ni O6 -","- C34 H38 N4 Ni O6 -","- C68 H76 N8 Ni2 O12 -","2","1","","Angelos B. Canaj; Demetrios I. Tzimopoulos; Aggelos Philippidis; George E. Kostakis; Constantinos J. Milios","Employment of a New Tripodal Ligand for the Synthesis of Cobalt(II/III), Nickel(II), and Copper(II) Clusters: Magnetic, Optical, and Thermal Properties","Inorganic Chemistry","2012","51","","10461","10470","10.1021/ic301744e","","","0.71073","MoKα","","0.0845","0.0444","","","0.0759","0.0813","","","","","","0.953","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330530","19.5108","0.0011","24.3167","0.0012","23.3917","0.0011","90","","104.115","0.004","90","","10762.9","1","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H136 N6 Ni8 O34 S -","- C102 H136 N6 Ni8 O34 S -","- C408 H544 N24 Ni32 O136 S4 -","4","0.5","","Angelos B. Canaj; Demetrios I. Tzimopoulos; Aggelos Philippidis; George E. Kostakis; Constantinos J. Milios","Employment of a New Tripodal Ligand for the Synthesis of Cobalt(II/III), Nickel(II), and Copper(II) Clusters: Magnetic, Optical, and Thermal Properties","Inorganic Chemistry","2012","51","","10461","10470","10.1021/ic301744e","","","0.71073","MoKα","","0.0536","0.0309","","","0.0625","0.0669","","","","","","1.046","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330531","19.72","0.002","14.6735","0.0017","18.5807","0.0017","90","","93.943","0.008","90","","5363.8","1","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cu4 N4 O12 -","- C60 H60 Cu4 N4 O12 -","- C240 H240 Cu16 N16 O48 -","4","0.5","","Angelos B. Canaj; Demetrios I. Tzimopoulos; Aggelos Philippidis; George E. Kostakis; Constantinos J. Milios","Employment of a New Tripodal Ligand for the Synthesis of Cobalt(II/III), Nickel(II), and Copper(II) Clusters: Magnetic, Optical, and Thermal Properties","Inorganic Chemistry","2012","51","","10461","10470","10.1021/ic301744e","","","0.71073","MoKα","","0.1368","0.0685","","","0.1362","0.1572","","","","","","0.949","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330532","19.808","0.009","26.728","0.009","13.601","0.007","90","","93.89","0.04","90","","7184","6","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H78.5 Cu4 N4 O17.75 -","- C63.499 H73.997 Cu4 N4 O17.749 -","- C253.996 H295.988 Cu16 N16 O70.996 -","4","1","","Angelos B. Canaj; Demetrios I. Tzimopoulos; Aggelos Philippidis; George E. Kostakis; Constantinos J. Milios","Employment of a New Tripodal Ligand for the Synthesis of Cobalt(II/III), Nickel(II), and Copper(II) Clusters: Magnetic, Optical, and Thermal Properties","Inorganic Chemistry","2012","51","","10461","10470","10.1021/ic301744e","","","0.71073","MoKα","","0.1968","0.0809","","","0.182","0.2188","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330533","9.8887","0.0004","11.7543","0.0005","16.49","0.0006","72.133","0.002","80.266","0.002","87.33","0.002","1797.98","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Fe N5 O4 P2 -","- C36 H30 Fe N5 O4 P2 -","- C72 H60 Fe2 N10 O8 P4 -","2","1","","Zong-Sian Lin; Tzung-Wen Chiou; Kuan-Yu Liu; Chang-Chih Hsieh; Jen-Shiang K. Yu; Wen-Feng Liaw","A Dinitrosyliron Complex within the Homoleptic Fe(NO)4 Anion: NO as Nitroxyl and Nitrosyl Ligands within a Single Structure","Inorganic Chemistry","2012","51","","10092","10094","10.1021/ic3018437","","","0.71073","MoKα","","0.0997","0.0771","","","0.2299","0.2569","","","","","","1.066","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330535","9.2289","0.0001","11.243","0.0001","12.3239","0.0001","78.69","0.001","70.363","0.001","67.037","0.001","1105.81","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl4 O3 Ru S4 -","- C16 H22 Cl4 O3 Ru S4 -","- C32 H44 Cl8 O6 Ru2 S8 -","2","1","","James D. Ingram; Paulo J. Costa; Harry Adams; Michael D. Ward; Vítor Félix; Jim A. Thomas","Ruthenium(II) Thiacrown Complexes Incorporating Noninnocent Redox Active Ligands: Synthesis, Electrochemical Properties, and Theoretical Studies","Inorganic Chemistry","2012","51","","10483","10494","10.1021/ic200814k","","","0.71073","MoKα","","0.023","0.02","","","0.0439","0.0451","","","","","","1.096","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330536","14.2678","0.0009","21.1043","0.0013","22.7005","0.0014","68.336","0.001","81.291","0.001","89.673","0.001","6269.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[Ce7Cl12(nBuOH)16](nBuOH)2(H2O)2","","","- C72 Ce7 Cl21 O20 -","- C72 Ce7 Cl21 O20 -","- C144 Ce14 Cl42 O40 -","2","1","","Shae Anne Vaughn; Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Mark D. Smith; Lynn A. Boatner; Hans-Conrad zur Loye","New Family of Cerium Halide Based Materials: CeX3.ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings","Inorganic Chemistry","2012","51","","10503","10511","10.1021/ic3003349","","","0.71073","MoKα","","0.0889","0.0543","","","0.1343","0.156","","","","","","1.035","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330537","22.2101","0.0019","23.76","0.002","26.488","0.002","81.209","0.002","89.414","0.002","67.982","0.002","12789.4","1.8","173","","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C144 Br42 Ce14 O36 -","- C144 Br42 Ce14 O36 -","- C288 Br84 Ce28 O72 -","2","1","","Shae Anne Vaughn; Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Mark D. Smith; Lynn A. Boatner; Hans-Conrad zur Loye","New Family of Cerium Halide Based Materials: CeX3.ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings","Inorganic Chemistry","2012","51","","10503","10511","10.1021/ic3003349","","","0.71073","MoKα","","0.2166","0.0839","","","0.1644","0.2178","","","","","","0.931","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330538","13.6787","0.0015","20.156","0.002","21.192","0.002","104.428","0.002","104.554","0.002","97.692","0.002","5355.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(CeCl3)7(PrOH)18(H2O)2","","","- C54 H126 Ce7 Cl21 O20 -","- C54 H126 Ce7 Cl21 O20 -","- C108 H252 Ce14 Cl42 O40 -","2","1","","Shae Anne Vaughn; Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Mark D. Smith; Lynn A. Boatner; Hans-Conrad zur Loye","New Family of Cerium Halide Based Materials: CeX3.ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings","Inorganic Chemistry","2012","51","","10503","10511","10.1021/ic3003349","","","0.71073","MoKα","","0.0922","0.06","","","0.151","0.1754","","","","","","1.052","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330539","13.5954","0.001","20.791","0.0015","22.1835","0.0015","104.962","0.001","105.19","0.001","95.261","0.001","5760.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C116.57 H310.86 Br42 Ce14 O38.86 -","- C116.568 H267.064 Br42 Ce14 O38.856 -","- C116.568 H267.064 Br42 Ce14 O38.856 -","1","0.5","","Shae Anne Vaughn; Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Mark D. Smith; Lynn A. Boatner; Hans-Conrad zur Loye","New Family of Cerium Halide Based Materials: CeX3.ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings","Inorganic Chemistry","2012","51","","10503","10511","10.1021/ic3003349","","","0.71073","MoKα","","0.0906","0.0479","","","0.1077","0.1244","","","","","","1.02","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330540","18.0529","0.0018","26.421","0.003","28.507","0.003","90","","104.334","0.002","90","","13174","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(CeCl3)6(iBuOH)15](iBuOH)2","","","- C72 Ce6 Cl18 O17 -","- C74 Ce6 Cl18 O17 -","- C296 Ce24 Cl72 O68 -","4","1","","Shae Anne Vaughn; Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Mark D. Smith; Lynn A. Boatner; Hans-Conrad zur Loye","New Family of Cerium Halide Based Materials: CeX3.ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings","Inorganic Chemistry","2012","51","","10503","10511","10.1021/ic3003349","","","0.71073","MoKα","","0.1267","0.0776","","","0.2016","0.2411","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330541","5.7157","0.0005","11.3696","0.0009","13.314","0.0011","70.626","0.001","78.74","0.001","77.595","0.001","789.91","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","CeCl3(secBuOH)2(H2O)","","","- C8 H22 Ce Cl3 O3 -","- C8 H22 Ce Cl3 O3 -","- C16 H44 Ce2 Cl6 O6 -","2","1","","Shae Anne Vaughn; Bryan C. Chakoumakos; Radu Custelcean; Joanne O. Ramey; Mark D. Smith; Lynn A. Boatner; Hans-Conrad zur Loye","New Family of Cerium Halide Based Materials: CeX3.ROH Compounds Containing Planes, Chains, and Tetradecanuclear Rings","Inorganic Chemistry","2012","51","","10503","10511","10.1021/ic3003349","","","0.71073","MoKα","","0.024","0.0228","","","0.0588","0.0595","","","","","","1.048","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330542","10.3949","0.0008","10.6252","0.0006","15.4506","0.001","109.191","0.006","101.791","0.006","94.294","0.006","1558.9","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H83 Cl4 Co2 N O24 P6 Ru2 -","- C34 H83 Cl4 Co2 N O24 P6 Ru2 -","- C34 H83 Cl4 Co2 N O24 P6 Ru2 -","1","0.5","","Xiao-Yi Yi; Ho-Yuen Ng; Wai-Man Cheung; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Dinuclear Ruthenium Nitrido Complexes Supported by an Oxygen Tripodal Ligand","Inorganic Chemistry","2012","51","","10529","10535","10.1021/ic300638r","","","1.54178","CuKα","","0.0612","0.0384","","","0.0715","0.0753","","","","","","1.025","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330543","42.3383","0.0012","13.6577","0.0003","28.3023","0.0006","90","","112.41","0.003","90","","15129.7","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H110 Cl4 Co2 N2 O19.25 P6 Ru2 -","- C51 H110 Cl4 Co2 N2 O19.25 P6 Ru2 -","- C408 H880 Cl32 Co16 N16 O154 P48 Ru16 -","8","1","","Xiao-Yi Yi; Ho-Yuen Ng; Wai-Man Cheung; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Dinuclear Ruthenium Nitrido Complexes Supported by an Oxygen Tripodal Ligand","Inorganic Chemistry","2012","51","","10529","10535","10.1021/ic300638r","","","1.54178","CuKα","","0.0756","0.0486","","","0.1044","0.1099","","","","","","1.012","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330544","12.9953","0.0015","16.18","0.002","21.548","0.003","81.223","0.002","81.015","0.002","73.09","0.002","4254.1","0.9","203","2","203","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H100 Cl8 Co2 N2 O21 P6 Ru4 -","- C58 H75 Cl8 Co2 N2 O21 P6 Ru4 -","- C116 H150 Cl16 Co4 N4 O42 P12 Ru8 -","2","1","","Xiao-Yi Yi; Ho-Yuen Ng; Wai-Man Cheung; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Dinuclear Ruthenium Nitrido Complexes Supported by an Oxygen Tripodal Ligand","Inorganic Chemistry","2012","51","","10529","10535","10.1021/ic300638r","","","0.71073","MoKα","","0.1575","0.0618","","","0.0789","0.0955","","","","","","1.016","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330545","26.5336","0.0002","12.508","0.0001","44.8977","0.0003","90","","90","","90","","14900.8","0.19","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C59.5 H117 Cl3 Co N O11 P5 Ru2 -","- C59.5 H110 Cl3 Co N O11 P5 Ru2 -","- C476 H880 Cl24 Co8 N8 O88 P40 Ru16 -","8","2","","Xiao-Yi Yi; Ho-Yuen Ng; Wai-Man Cheung; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Dinuclear Ruthenium Nitrido Complexes Supported by an Oxygen Tripodal Ligand","Inorganic Chemistry","2012","51","","10529","10535","10.1021/ic300638r","","","1.54178","CuKα","","0.05","0.0327","","","0.0603","0.0644","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330546","18.2538","0.0018","25.024","0.002","24.809","0.002","90","","90","","90","","11332.3","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H48 Cl6 Ir2 N6 O2 -","- C62 H48 Cl6 Ir2 N6 O2 -","- C496 H384 Cl48 Ir16 N48 O16 -","8","1","","Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash","Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands","Inorganic Chemistry","2012","51","","10536","10547","10.1021/ic300694m","","","0.71073","MoKα","","0.0692","0.0473","","","0.1098","0.1275","","","","","","1.091","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330547","25.744","0.005","11.615","0.002","20.613","0.004","90","","90.561","0.003","90","","6163","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 Cl2 Ir2 N6 O -","- C64 H54 Cl2 Ir2 N6 O -","- C256 H216 Cl8 Ir8 N24 O4 -","4","1","","Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash","Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands","Inorganic Chemistry","2012","51","","10536","10547","10.1021/ic300694m","","","0.71073","MoKα","","0.0608","0.0506","","","0.147","0.1563","","","","","","1.051","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330548","18.312","0.003","23.253","0.004","25.195","0.004","90","","90","","90","","10728","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H52 Cl2 Ir2 N6 O3 -","- C56.62 H48 Cl2 Ir2 N6 O2.95 -","- C452.96 H384 Cl16 Ir16 N48 O23.6 -","8","1","","Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash","Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands","Inorganic Chemistry","2012","51","","10536","10547","10.1021/ic300694m","","","0.71073","MoKα","","0.1215","0.0675","","","0.1549","0.1854","","","","","","1.015","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330549","8.2","","12.309","","13.904","","90.63","","93.86","","109.13","","1322.06","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cl Ir N4 -","- C32 H26 Cl Ir N4 -","- C64 H52 Cl2 Ir2 N8 -","2","1","","Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash","Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands","Inorganic Chemistry","2012","51","","10536","10547","10.1021/ic300694m","","","0.71073","MoKα","","0.041","0.0347","","","0.0776","0.0814","","","","","","1.027","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330550","9.571","0.005","10.49","0.005","27.375","0.005","90","0.005","90","0.005","90","0.005","2748","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Ir N4 O -","- C32 H27 Ir N4 O -","- C128 H108 Ir4 N16 O4 -","4","1","","Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash","Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands","Inorganic Chemistry","2012","51","","10536","10547","10.1021/ic300694m","","","0.71069","MoKα","","0.0488","0.0471","","","0.1156","0.1168","","","","","","1.088","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330551","9.6179","0.0019","12.349","0.003","13.12","0.003","85.76","0.03","73.31","0.03","77.03","0.03","1454.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5,15bis(N-phenylamino)Zn porphyrin","","","- C64 H66 N6 O8 Zn -","- C64 H66 N6 O8 Zn -","- C64 H66 N6 O8 Zn -","1","0.5","","Kalliopi Ladomenou; Theodore Lazarides; Manas K. Panda; Georgios Charalambidis; Dimitra Daphnomili; Athanassios G. Coutsolelos","Meso-substituted Porphyrin Derivatives via Palladium-Catalyzed Amination Showing Wide Range Visible Absorption: Synthesis and Photophysical Studies","Inorganic Chemistry","2012","51","","10548","10556","10.1021/ic300714n","","","0.71073","MoKα","","0.138","0.068","","","0.1161","0.137","","","","","","0.975","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330552","8.949","0.001","11.835","0.002","13.649","0.002","77.16","0.01","72.86","0.01","85.7","0.02","1346.8","0.3","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C30 H40 Co N2 O4 -","- C30 H40 Co N2 O4 -","- C60 H80 Co2 N4 O8 -","2","2","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.0705","0.0462","","","0.1011","0.1154","","","","","","1.1","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330553","10.338","0.001","14.007","0.002","13.438","0.002","90","","104.88","0.01","90","","1880.6","0.4","200","","200","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30.46 H44.82 Cl1.64 Co F6 N2 O5.68 Sb -","- C30.46 H44.82 Cl1.64 Co F6 N2 O5.68 Sb -","- C60.92 H89.64 Cl3.28 Co2 F12 N4 O11.36 Sb2 -","2","1","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.0708","0.047","","","0.1092","0.1272","","","","","","1.212","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330554","38.964","0.008","9.797","0.002","22.985","0.005","90","","102.02","0.03","90","","8582","3","150","","150","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C36.85 H56.3 Cl1.7 Co F6 N2 O3.3 Sb -","- C36.848 H56.304 Cl1.696 Co F6 N2 O3.304 Sb -","- C294.784 H450.432 Cl13.568 Co8 F48 N16 O26.432 Sb8 -","8","2","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.192","0.1081","","","0.2456","0.2946","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330555","9.2065","0.0018","19.005","0.005","22.744","0.007","90","","90","","90","","3979.5","1.8","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Cl Co N6 O8 -","- C38 H52 Cl Co N6 O8 -","- C152 H208 Cl4 Co4 N24 O32 -","4","1","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.0602","0.0438","","","0.1018","0.1081","","","","","","1.087","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330556","11.658","0.002","9.7453","0.0019","18.061","0.004","90","","96.74","0.03","90","","2037.7","0.7","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H60 Cl Co N6 O8 -","- C38 H60 Cl Co N6 O8 -","- C76 H120 Cl2 Co2 N12 O16 -","2","1","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.1222","0.0815","","","0.2045","0.2219","","","","","","1.062","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330557","11.669","0.002","14.268","0.003","16.805","0.003","71.73","0.03","69.68","0.03","66.9","0.03","2361.9","1","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C42.5 H58.75 Co F6 N8.25 O4 Sb -","- C42.5 H58.75 Co F6 N8.25 O4 Sb -","- C85 H117.5 Co2 F12 N16.5 O8 Sb2 -","2","2","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.0837","0.0465","","","0.112","0.1322","","","","","","1.112","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330558","9.5009","0.0006","20.9592","0.0014","14.886","0.0009","90","","94.628","0.003","90","","2954.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Cl3 N7 Rh -","- C30 H29 Cl3 N7 Rh -","- C120 H116 Cl12 N28 Rh4 -","4","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.54178","CuKα","","0.0294","0.0289","","","0.0777","0.0781","","","","","","0.984","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330559","20.0852","0.0002","20.0852","0.0002","14.8181","0.0002","90","","90","","90","","5977.85","0.12","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H38 Cl3 N6 Rh -","- C28 H38 Cl3 N6 Rh -","- C224 H304 Cl24 N48 Rh8 -","8","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.54178","CuKα","","0.0146","0.0146","","","0.038","0.038","","","","","","1.087","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330560","10.507","0.0002","7.9998","0.0001","32.3766","0.0005","90","","91.316","0.001","90","","2720.66","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl4 N6 Rh -","- C26 H25 Cl4 N6 Rh -","- C104 H100 Cl16 N24 Rh4 -","4","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.54178","CuKα","","0.0272","0.0266","","","0.0702","0.0706","","","","","","1.007","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330561","10.8699","0.0004","12.7774","0.0004","13.9834","0.0004","76.73","0.003","72.153","0.003","82.555","0.003","1795.64","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl10 N6 Rh Sb -","- C26 H25 Cl10 N6 Rh Sb -","- C52 H50 Cl20 N12 Rh2 Sb2 -","2","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","0.7107","MoKα","","0.0484","0.0347","","","0.0694","0.077","","","","","","1.049","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330562","9.0391","0.0002","16.3205","0.0003","16.2321","0.0003","90","","104.998","0.001","90","","2313.03","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Cl2 N6 Rh -","- C25 H23 Cl2 N6 Rh -","- C100 H92 Cl8 N24 Rh4 -","4","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.54178","CuKα","","0.0362","0.0285","","","0.0696","0.0726","","","","","","1.008","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330563","16.2675","0.0004","15.4317","0.0003","15.276","0.0004","90","","105.369","0.003","90","","3697.68","0.16","100.2","0.2","100.2","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl10 N6 Rh Sb -","- C27 H27 Cl10 N6 Rh Sb -","- C108 H108 Cl40 N24 Rh4 Sb4 -","4","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.5418","CuKα","","0.0452","0.0379","","","0.0935","0.0985","","","","","","1.036","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330564","31.8629","0.0006","31.8629","0.0006","10.9579","0.0003","90","","90","","90","","11124.9","0.4","102.1","","102.1","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C26.18 H33.35 Cl2.35 N5 P Rh -","- C26.176 H33.352 Cl2.352 N5 P Rh -","- C418.816 H533.632 Cl37.632 N80 P16 Rh16 -","16","","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","0.7107","MoKα","","0.0566","0.034","","","0.0612","0.0716","","","","","","1.042","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330565","36.8996","0.0006","10.0698","0.0002","25.2397","0.0005","90","","111.295","0.001","90","","8738","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Cl3 F6 N6 P2 Rh -","- C44 H40 Cl3 F6 N6 P2 Rh -","- C352 H320 Cl24 F48 N48 P16 Rh8 -","8","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.54178","CuKα","","0.0417","0.0382","","","0.0965","0.0986","","","","","","1.019","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330566","21.7617","0.0006","67.332","0.0019","10.8818","0.0003","90","","91.578","0.001","90","","15938.6","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 Cl3 F6 N5 P3 Rh -","- C33 H50 Cl3 F6 N5 P3 Rh -","- C528 H800 Cl48 F96 N80 P48 Rh16 -","16","2","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.54178","CuKα","","0.0714","0.0522","","","0.1445","0.1695","","","","","","1.068","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330567","13.2609","0.0003","20.1369","0.0004","20.3237","0.0004","90","","107.415","0.001","90","","5178.34","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl13 N5 P2 Rh Sb2 -","- C32 H48 Cl13 N5 P2 Rh Sb2 -","- C128 H192 Cl52 N20 P8 Rh4 Sb8 -","4","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.54178","CuKα","","0.058","0.0397","","","0.0903","0.0967","","","","","","1.02","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330568","14.9796","0.0004","32.8756","0.0007","9.1507","0.0003","90","","105.548","0.003","90","","4341.5","0.2","99.9","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38.3 H42.37 Cl5 F3 N7 O3 Rh S -","- C38.28 H42.32 Cl5 F3 N7 O3 Rh S -","- C153.12 H169.28 Cl20 F12 N28 O12 Rh4 S4 -","4","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.5418","CuKα","","0.1414","0.1329","","","0.299","0.3025","","","","","","1.236","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330569","9.1543","0.0003","11.7994","0.0005","22.4495","0.0009","101.271","0.003","94.018","0.003","94.028","0.003","2363.53","0.16","101.7","","101.7","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 F6 N8 O7.37 Rh S2 -","- C48 H44 F6 N8 O7.373 Rh S2 -","- C96 H88 F12 N16 O14.746 Rh2 S4 -","2","1","","Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier","Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand","Inorganic Chemistry","2012","51","","10572","10580","10.1021/ic300772h","","","1.5418","CuKα","","0.0574","0.044","","","0.1052","0.1143","","","","","","1.017","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330570","15.1048","0.0003","24.1782","0.0005","7.1984","0.0001","90","","90","","90","","2628.91","0.08","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H8 N3 Pd Tl -","- C15 H8 N3 Pd Tl -","- C120 H64 N24 Pd8 Tl8 -","8","1","","Violeta Sicilia; Juan Forniés; Sara Fuertes; Antonio Martín","New Dicyano Cyclometalated Compounds Containing Pd(II)-Tl(I) Bonds as Building Blocks in 2D Extended Structures: Synthesis, Structure, and Luminescence Studies","Inorganic Chemistry","2012","51","","10581","10589","10.1021/ic300808z","","","0.71073","MoKα","","0.0246","0.0199","","","0.0491","0.0504","","","","","","1.059","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330571","5.9007","0.0003","9.062","0.0003","23.458","0.0008","90","","90","","90","","1254.35","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N3 Pd Tl -","- C13 H8 N3 Pd Tl -","- C52 H32 N12 Pd4 Tl4 -","4","1","","Violeta Sicilia; Juan Forniés; Sara Fuertes; Antonio Martín","New Dicyano Cyclometalated Compounds Containing Pd(II)-Tl(I) Bonds as Building Blocks in 2D Extended Structures: Synthesis, Structure, and Luminescence Studies","Inorganic Chemistry","2012","51","","10581","10589","10.1021/ic300808z","","","0.71073","MoKα","","0.0343","0.034","","","0.086","0.0863","","","","","","1.013","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330572","8.1027","0.0005","9.7053","0.0006","9.4485","0.0006","90","","90.608","0.001","90","","742.98","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cu F14 N4 -","- C10 H4 Cu F14 N4 -","- C20 H8 Cu2 F28 N8 -","2","0.5","","Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin","Highly Flexible Molecule ""Chameleon"": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2","Inorganic Chemistry","2012","51","","10590","10602","10.1021/ic300814w","","","0.71073","MoKα","","0.0225","0.0208","","","0.0533","0.0541","","","","","","1","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330573","12.4673","0.0019","10.1898","0.0015","13.1267","0.0019","90","","95.272","0.003","90","","1660.6","0.4","363","2","363","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Cu F14 N4 -","- C10 H4 Cu F14 N4 -","- C40 H16 Cu4 F56 N16 -","4","1","","Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin","Highly Flexible Molecule ""Chameleon"": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2","Inorganic Chemistry","2012","51","","10590","10602","10.1021/ic300814w","","","0.71073","MoKα","","0.1068","0.0445","","","0.1059","0.1256","","","","","","1.003","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330574","10.6799","0.0015","12.1418","0.0016","12.9618","0.0019","86.992","0.003","89.995","0.003","67.385","0.002","1549.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H4 Cu F14 N4 -","- C10 H4 Cu F14 N4 -","- C40 H16 Cu4 F56 N16 -","4","2","","Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin","Highly Flexible Molecule ""Chameleon"": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2","Inorganic Chemistry","2012","51","","10590","10602","10.1021/ic300814w","","","0.71073","MoKα","","0.0927","0.0508","","","0.1182","0.1432","","","","","","1.003","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330575","11.3475","0.0012","12.8619","0.0014","12.4521","0.0013","90","","115.552","0.002","90","","1639.6","0.3","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cu F14 N4 -","- C10 H4 Cu F14 N4 -","- C40 H16 Cu4 F56 N16 -","4","1","","Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin","Highly Flexible Molecule ""Chameleon"": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2","Inorganic Chemistry","2012","51","","10590","10602","10.1021/ic300814w","","","0.71073","MoKα","","0.068","0.0389","","","0.103","0.1204","","","","","","1.002","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330576","16.9722","0.0007","16.9722","0.0007","5.6208","0.0005","90","","90","","90","","1619.1","0.17","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C10 H4 Cu F14 N4 -","- C10 H4 Cu F14 N4 -","- C40 H16 Cu4 F56 N16 -","4","0.5","","Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin","Highly Flexible Molecule ""Chameleon"": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2","Inorganic Chemistry","2012","51","","10590","10602","10.1021/ic300814w","","","0.71073","MoKα","","0.0688","0.0388","","","0.1051","0.1333","","","","","","1.001","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330577","16.7731","0.0003","16.7731","0.0003","5.5775","0.0002","90","","90","","90","","1569.16","0.07","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C10 H4 Cu F14 N4 -","- C10 H4 Cu F14 N4 -","- C40 H16 Cu4 F56 N16 -","4","0.5","","Victor N. Khrustalev; Svetlana O. Kostenko; Mikhail I. Buzin; Alexander A. Korlyukov; Yan V. Zubavichus; Michael A. Kurykin; Mikhail Yu. Antipin","Highly Flexible Molecule ""Chameleon"": Reversible Thermochromism and Phase Transitions in Solid Copper(II) Diiminate Cu[CF3-C(NH)-CF=C(NH)-CF3]2","Inorganic Chemistry","2012","51","","10590","10602","10.1021/ic300814w","","","0.71073","MoKα","","0.0446","0.0303","","","0.07","0.084","","","","","","1.002","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330578","10.581","0.003","13.203","0.003","15.696","0.003","80.395","0.007","78.989","0.007","76.952","0.008","2079.2","0.9","92","2","92","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Ce Cu3 N9 O18 -","- C36 H42 Ce Cu3 N9 O18 -","- C72 H84 Ce2 Cu6 N18 O36 -","2","1","","Humphrey L. C. Feltham; Rodolphe Clérac; Liviu Ungur; Veacheslav Vieru; Liviu F. Chibotaru; Annie K. Powell; Sally Brooker","Synthesis and Magnetic Properties of a New Family of Macrocyclic MII3LnIII Complexes: Insights into the Effect of Subtle Chemical Modification on Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","10603","10612","10.1021/ic300819u","","","0.71073","MoKα","","0.0547","0.0427","","","0.1063","0.1181","","","","","","1.048","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330579","12.1722","0.0014","13.4004","0.0014","14.7438","0.0014","109.487","0.005","95.676","0.005","110.021","0.005","2067.6","0.4","92","2","92","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cu3 Dy N9 O18 -","- C36 H42 Cu3 Dy N9 O18 -","- C72 H84 Cu6 Dy2 N18 O36 -","2","1","","Humphrey L. C. Feltham; Rodolphe Clérac; Liviu Ungur; Veacheslav Vieru; Liviu F. Chibotaru; Annie K. Powell; Sally Brooker","Synthesis and Magnetic Properties of a New Family of Macrocyclic MII3LnIII Complexes: Insights into the Effect of Subtle Chemical Modification on Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","10603","10612","10.1021/ic300819u","","","0.71073","MoKα","","0.0561","0.0464","","","0.1117","0.1199","","","","","","1.057","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330580","23.3152","0.0008","14.8849","0.0005","19.543","0.0007","90","","102.973","0.0014","90","","6609.2","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 F4 Mo N6 Ni O7 -","- C30 H24 F4.02 Mo N6 Ni O6.98 -","- C240 H192 F32.16 Mo8 N48 Ni8 O55.84 -","8","1","","Romain Gautier; Kenneth R. Poeppelmeier","Preservation of Chirality and Polarity between Chiral and Polar Building Units in the Solid State","Inorganic Chemistry","2012","51","","10613","10618","10.1021/ic300847t","","","0.71069","MoKα","","0.0518","0.0368","","","","0.1075","","","","","","1.046","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330581","14.87","0.0005","13.7295","0.0005","13.1071","0.0005","90","","105.561","0.002","90","","2577.83","0.16","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F6 N4 O5 Zn Zr -","- C20 H22 F6 N4 O5 Zn Zr -","- C80 H88 F24 N16 O20 Zn4 Zr4 -","4","1","","Romain Gautier; Kenneth R. Poeppelmeier","Preservation of Chirality and Polarity between Chiral and Polar Building Units in the Solid State","Inorganic Chemistry","2012","51","","10613","10618","10.1021/ic300847t","","x-ray","0.71069","MoKα","","0.1053","0.0496","","","0.0908","0.1069","","","","","","1.008","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330582","11.7039","0.0012","14.0727","0.0014","12.2051","0.0012","90","","110.84","0.001","90","","1878.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H57 B Er N9 Si2 -","- C29 H57 B Er N9 Si2 -","- C58 H114 B2 Er2 N18 Si4 -","2","0.5","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.0388","0.0374","","","0.0991","0.0998","","","","","","1.075","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330583","11.715","0.008","14.056","0.009","12.208","0.008","90","","110.937","0.008","90","","1878","2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H57 B N9 Si2 Y -","- C29 H57 B N9 Si2 Y -","- C58 H114 B2 N18 Si4 Y2 -","2","0.5","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.0817","0.0726","","","0.1677","0.172","","","","","","1.006","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330584","20.188","0.007","12.681","0.004","16.605","0.006","90","","90","","90","","4251","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H65 B N9 Si2 Y -","- C35 H65 B N9 Si2 Y -","- C140 H260 B4 N36 Si8 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.0786","0.0559","","","0.1269","0.1336","","","","","","0.919","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330585","9.478","0.007","12.994","0.01","15.894","0.012","99.137","0.011","102.285","0.01","93.141","0.011","1880","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H48 B Cl N7 O Si2 Y -","- C25 H48 B Cl N7 O Si2 Y -","- C50 H96 B2 Cl2 N14 O2 Si4 Y2 -","2","1","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.172","0.1045","","","0.2552","0.2825","","","","","","0.893","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330586","13.271","","14.409","","19.625","","90","","90","","90","","3752.73","","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H53 B N9 Si2 Y -","- C28 H53 B N9 Si2 Y -","- C112 H212 B4 N36 Si8 Y4 -","4","0.5","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.1654","0.068","","","0.1762","0.2135","","","","","","0.892","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330587","16.77","0.009","13.305","0.008","38.14","0.02","90","","101.077","0.008","90","","8351","8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H126 B2 Er2 N18 Si4 -","- C69 H126 B2 Er2 N18 Si4 -","- C276 H504 B8 Er8 N72 Si16 -","4","1","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.1657","0.1238","","","0.3038","0.3207","","","","","","1.119","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330588","16.768","0.005","13.323","0.004","38.183","0.011","90","","101.087","0.004","90","","8371","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H126 B2 N18 Si4 Y2 -","- C69 H126 B2 N18 Si4 Y2 -","- C276 H504 B8 N72 Si16 Y8 -","4","1","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.1661","0.0614","","","0.1306","0.1659","","","","","","0.869","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330589","16.0348","0.0019","16.1658","0.0018","13.0742","0.0014","90","","92.126","0.004","90","","3386.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Fe N O4 -","- C43 H34 Fe N O4 -","- C172 H136 Fe4 N4 O16 -","4","1","","Christopher J. Whiteoak; Blerina Gjoka; Eddy Martin; Marta Martínez Belmonte; Eduardo C. Escudero-Adán; Cristiano Zonta; Giulia Licini; Arjan W. Kleij","Reactivity Control in Iron(III) Amino Triphenolate Complexes: Comparison of Monomeric and Dimeric Complexes","Inorganic Chemistry","2012","51","","10639","10649","10.1021/ic3008624","","","0.71073","MoKα","","0.1453","0.0979","","","0.2416","0.2524","","","","","","1.066","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330590","13.524","0.0013","17.1679","0.0017","19.236","0.002","77.392","0.003","79.29","0.003","78.116","0.004","4218.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H96 Fe4 N4 O12 -","- C105 H96 Fe4 N4 O12 -","- C210 H192 Fe8 N8 O24 -","2","1","","Christopher J. Whiteoak; Blerina Gjoka; Eddy Martin; Marta Martínez Belmonte; Eduardo C. Escudero-Adán; Cristiano Zonta; Giulia Licini; Arjan W. Kleij","Reactivity Control in Iron(III) Amino Triphenolate Complexes: Comparison of Monomeric and Dimeric Complexes","Inorganic Chemistry","2012","51","","10639","10649","10.1021/ic3008624","","","0.71073","MoKα","","0.1003","0.0546","","","0.1238","0.1438","","","","","","1.043","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330591","10.4445","0.0006","10.9051","0.0006","11.2722","0.0006","73.886","0.002","75.873","0.002","79.199","0.002","1186.23","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Fe N O4 -","- C28 H32 Fe N O4 -","- C56 H64 Fe2 N2 O8 -","2","1","","Christopher J. Whiteoak; Blerina Gjoka; Eddy Martin; Marta Martínez Belmonte; Eduardo C. Escudero-Adán; Cristiano Zonta; Giulia Licini; Arjan W. Kleij","Reactivity Control in Iron(III) Amino Triphenolate Complexes: Comparison of Monomeric and Dimeric Complexes","Inorganic Chemistry","2012","51","","10639","10649","10.1021/ic3008624","","","0.71073","MoKα","","0.0402","0.0359","","","0.0944","0.097","","","","","","1.041","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330592","25.102","0.002","10.9015","0.0011","25.252","0.003","90","","112.938","0.003","90","","6363.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H46 Fe N O5 -","- C33 H46 Fe N O5 -","- C264 H368 Fe8 N8 O40 -","8","1","","Christopher J. Whiteoak; Blerina Gjoka; Eddy Martin; Marta Martínez Belmonte; Eduardo C. Escudero-Adán; Cristiano Zonta; Giulia Licini; Arjan W. Kleij","Reactivity Control in Iron(III) Amino Triphenolate Complexes: Comparison of Monomeric and Dimeric Complexes","Inorganic Chemistry","2012","51","","10639","10649","10.1021/ic3008624","","","0.71073","MoKα","","0.1002","0.0833","","","0.2054","0.2144","","","","","","1.161","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330593","16.0716","0.0016","16.2018","0.0017","13.2037","0.0012","90","","94.218","0.003","90","","3428.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Fe N O4 -","- C43 H38 Fe N O4 -","- C172 H152 Fe4 N4 O16 -","4","1","","Christopher J. Whiteoak; Blerina Gjoka; Eddy Martin; Marta Martínez Belmonte; Eduardo C. Escudero-Adán; Cristiano Zonta; Giulia Licini; Arjan W. Kleij","Reactivity Control in Iron(III) Amino Triphenolate Complexes: Comparison of Monomeric and Dimeric Complexes","Inorganic Chemistry","2012","51","","10639","10649","10.1021/ic3008624","","","0.71073","MoKα","","0.0944","0.0678","","","0.1624","0.1769","","","","","","1.056","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330594","16.14","0.002","16.58","0.002","12.8255","0.0016","90","","91.774","0.004","90","","3430.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Fe N2 O3 -","- C44 H35 Fe N2 O3 -","- C176 H140 Fe4 N8 O12 -","4","1","","Christopher J. Whiteoak; Blerina Gjoka; Eddy Martin; Marta Martínez Belmonte; Eduardo C. Escudero-Adán; Cristiano Zonta; Giulia Licini; Arjan W. Kleij","Reactivity Control in Iron(III) Amino Triphenolate Complexes: Comparison of Monomeric and Dimeric Complexes","Inorganic Chemistry","2012","51","","10639","10649","10.1021/ic3008624","","","0.71073","MoKα","","0.1346","0.077","","","0.164","0.1824","","","","","","1.05","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330595","4.6996","0.0016","21.173","0.007","39.052","0.014","90","","91.286","0.004","90","","3885","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(\±)-2,7,12-trimethoxy-3,8,13-tris(4-N-oxide-pyridyloxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene dimethylformamide clathrate","","- C45 H40 N4 O13 -","- C45 H40 N4 O13 -","- C180 H160 N16 O52 -","4","1","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.6889","synchrotron","","0.1096","0.0652","","","0.1384","0.1653","","","","","","1.083","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330596","13.1282","0.0013","14.059","0.0015","15.006","0.0013","116.818","0.006","92.776","0.006","95.507","0.007","2447.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(\±)-2,7,12-trimethoxy-3,8,13-tris(3-N-oxide-pyridyloxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene N-methylpyrrolidone clathrate","","- C52 H51 N5 O14 -","- C52 H51 N5 O14 -","- C104 H102 N10 O28 -","2","1","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1866","0.1075","","","0.309","0.3754","","","","","","1.192","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330597","9.2161","0.0005","11.1018","0.0007","22.88","0.0015","85.589","0.004","81.494","0.003","75.676","0.003","2241.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(\±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)- 10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene dimethylformamide clathrate","","- C48 H53 N5 O11 -","- C48 H53 N5 O11 -","- C96 H106 N10 O22 -","2","1","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1312","0.0554","","","0.1015","0.1244","","","","","","0.995","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330598","4.5584","0.0006","16.3294","0.0018","24.986","0.003","99.66","0.004","92.27","0.004","92.77","0.004","1829.2","0.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","(\±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)- 10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene hydrate","","- C42 H43 N3 O11 -","- C42 H39 N3 O11 -","- C84 H78 N6 O22 -","2","2","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1368","0.0876","","","0.2175","0.244","","","","","","0.988","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330599","25.9744","0.0008","25.9744","0.0008","25.9744","0.0008","90","","90","","90","","17524.1","0.9","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","hexa(N-methylpyrrolidone)bis{2,7,12-trimethoxy-3,8,13-tris (4-N-oxide-pyridyloxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene} disilver(I) perchlorate N-methylpyrrolidone clathrate","","- C114 H120 Ag3 Cl3 N12 O42 -","- C114 H120 Ag3 Cl3 N12 O42 -","- C456 H480 Ag12 Cl12 N48 O168 -","4","0.166667","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1489","0.0958","","","0.272","0.2982","","","","","","1.074","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330600","17.44","0.03","17.54","0.04","18.13","0.03","100.28","0.08","101.91","0.06","118.8","0.06","4499","16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","bis{2,7,12-trimethoxy-3,8,13-tris(4-N-oxide-pyridyloxy) -10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene} zinc(II) tetrafluoroborate N-methylpyrrolidone clathrate","","- C84 H66 B F4 N6 O24 Zn -","- C84 H66 N6 O24 Zn -","- C84 H66 N6 O24 Zn -","1","0.5","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.6889","synchrotron","","0.126","0.0729","","","0.1747","0.1992","","","","","","0.805","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330601","17.5839","0.0018","29.7518","0.0018","34.404","0.003","90","","99.609","0.003","90","","17746","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis{2,7,12-trimethoxy-3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro -5H-tribenzo[a,d,g]cyclononatriene}cobalt(II) tetrafluoroborate dimethylformamide clathrate","","- C84 H66 B Co F4 N6 O24 -","- C84 H66 Co N6 O24 -","- C336 H264 Co4 N24 O96 -","4","0.5","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1569","0.0909","","","0.2356","0.2605","","","","","","0.881","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330602","18.1713","0.0019","21.487","0.002","24.177","0.002","84.788","0.004","80.734","0.004","80.361","0.004","9165.3","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","bis{2,7,12-trimethoxy-3,8,13-tris(4-N-oxide -pyridyloxy)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononatriene}copper(II) monoaquotetra(N-methylpyrrolidone)copper(II) tetrafluoroborate N-methylpyrrolidone clathrate hydrate","","- C144 H180 B4 Cu2 F16 N18 O39 -","- C144 H174 B3 Cu2 F12 N18 O39 -","- C288 H348 B6 Cu4 F24 N36 O78 -","2","1","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.2263","0.1643","","","0.4513","0.4894","","","","","","1.749","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330603","8.0052","0.0007","24.325","0.002","14.2675","0.0012","90","","100.117","0.003","90","","2735.1","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","dinitro{2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene}cadmium(II) dimtheylformamide clathrate","","- C48 H53 Cd N7 O17 -","- C48 H53 Cd N7 O17 -","- C96 H106 Cd2 N14 O34 -","2","1","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.0729","0.0583","","","0.1602","0.1705","","","","","","1.036","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330604","11.7843","0.0008","18.9058","0.0012","24.2187","0.0016","100.396","0.003","101.476","0.003","97.089","0.003","5129.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","decachlorobis{2,7,12-trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy) -10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene}pentacopper(II) dimethylformamide clathrate","","- C124 H150 Cl10 Cu5 N14 O26 -","- C124 H150 Cl10 Cu5 N14 O26 -","- C124 H150 Cl10 Cu5 N14 O26 -","1","0.5","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.093","0.0614","","","0.1839","0.1991","","","","","","1.032","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330605","12.5748","0.0018","14.424","0.002","18.045","0.003","72.077","0.007","71.966","0.006","88.086","0.007","2954.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","dichlorobis(dimethylformamide)bis{2,7,12-trimethoxy -3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro -5H-tribenzo[a,d,g]cyclononatriene}copper(II) hydrate","","- C48 H51 Cl2 Cu N5 O16 -","- C48 H47 Cl2 Cu N5 O16 -","- C96 H94 Cl4 Cu2 N10 O32 -","2","1","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1713","0.1202","","","0.3405","0.381","","","","","","1.445","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330606","22.0843","0.0011","12.7697","0.0007","21.5212","0.0011","90","","111.184","0.002","90","","5659.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetra(N-methylpyrrolidone)bis{2,7,12-trimethoxy-3,8,13 -tris(2-N-oxide-pyridylmethoxy)-10,15-dihydro -5H-tribenzo[a,d,g]cyclononatriene}disilver(I) tetrafluoroborate N-methylpyrrolidone clathrate","","- C114 H132 Ag2 B2 F8 N12 O24 -","- C114 H132 Ag2 B2 F8 N12 O24 -","- C228 H264 Ag4 B4 F16 N24 O48 -","2","0.5","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.1264","0.0941","","","0.2703","0.3055","","","","","","1.043","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330607","16.2283","0.0013","19.5779","0.0017","20.2184","0.0015","90","","99.773","0.004","90","","6330.5","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(dimethylformamide)bis{2,7,12-trimethoxy-3,8,13 -tris(3-N-oxide-pyridyloxy)-10,15-dihydro -5H-tribenzo[a,d,g]cyclononatriene}cadmium(II) perchlorate dimethylformamide clathrate","","- C114 H136 Cd Cl2 N16 O42 -","- C114 H136 Cd Cl2 N16 O42 -","- C228 H272 Cd2 Cl4 N32 O84 -","2","0.5","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.0658","0.0425","","","0.11","0.1227","","","","","","1.02","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330608","16.2126","0.0014","19.3231","0.0017","19.824","0.0017","90","","100.091","0.002","90","","6114.3","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(dimethylformamide)bis{2,7,12-trimethoxy -3,8,13-tris(3-N-oxide-pyridyloxy)-10,15-dihydro -5H-tribenzo[a,d,g]cyclononatriene}copper(II) perchlorate dimethylformamide clathrate","","- C114 H136 Cl2 Cu N16 O42 -","- C114 H136 Cl2 Cu N16 O42 -","- C228 H272 Cl4 Cu2 N32 O84 -","2","0.5","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.71073","MoKα","","0.0807","0.047","","","0.1098","0.1258","","","","","","1.017","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330609","12.047","0.005","14.724","0.006","18.024","0.007","97.079","0.001","107.478","0.005","102.281","0.007","2919","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis(dimethylformamide)bis{2,7,12-trimethoxy-3,8,13-tris(3-N-oxide-pyridyloxy) -10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene}cobalt(II) nitrate dimethylformamide clathrate hydrate","","- C102 H110 Co N14 O36 -","- C102 H108 Co N14 O37 -","- C102 H108 Co N14 O37 -","1","0.5","","James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie","Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands","Inorganic Chemistry","2012","51","","10657","10674","10.1021/ic300940k","","","0.6889","synchrotron","","0.1242","0.1207","","","0.4018","0.4064","","","","","","1.995","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330610","8.005","0.002","12.947","0.003","13.814","0.004","73.162","0.011","75.546","0.011","73.341","0.011","1291","0.6","298.1","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Co I S2 -","- C12 H10 Co I S2 -","- C48 H40 Co4 I4 S8 -","4","2","","Mitsushiro Nomura; Fumiaki Imamura; Nguyen Ba Tuyet Nga; Chikako Fujita-Takayama; Toru Sugiyama; Masatsugu Kajitani","Synthesis and Electrochemistry of Organometallic Cobaltadithiaazulenes","Inorganic Chemistry","2012","51","","10695","10703","10.1021/ic300993a","","","0.7107","MoKα","","","0.0349","","","","0.0928","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330611","14.294","0.0009","17.9417","0.0011","14.7","0.0009","90","","93.597","0.004","90","","3762.5","0.4","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(p-trifluoromethylphenylisocyanide) platinum dichloride","cis-Dichlorobis(4-trifluoromethylphenylisocyanide)platinum(II)","","- C16 H8 Cl2 F6 N2 Pt -","- C16 H8 Cl2 F6 N2 Pt -","- C128 H64 Cl16 F48 N16 Pt8 -","8","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0288","0.0218","","","0.0496","0.0527","","","","","","1.029","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330612","14.7788","0.001","17.928","0.0011","14.0492","0.001","90","","91.74","0.004","90","","3720.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(p-trifluoromethylphenylisocyanide) palladium dichloride","cis-Dichlorobis(4-trifluoromethylphenylisocyanide)palladium(II)","","- C16 H8 Cl2 F6 N2 Pd -","- C16 H8 Cl2 F6 N2 Pd -","- C128 H64 Cl16 F48 N16 Pd8 -","8","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.043","0.0301","","","0.0629","0.0679","","","","","","1.031","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330613","6.7933","0.0002","18.2047","0.0005","24.2898","0.0006","90","","90.084","0.002","90","","3003.92","0.14","115","2","115","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(p-fluorophenylisocyanide)platinum dichloride","cis-Dichlorobis(4-fluorophenylisocyanide)platinum(II)","","- C14 H8 Cl2 F2 N2 Pt -","- C14 H8 Cl2 F2 N2 Pt -","- C112 H64 Cl16 F16 N16 Pt8 -","8","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0291","0.0278","","","0.0722","0.0727","","","","","","1.091","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330614","6.945","0.0002","18.2518","0.0007","24.5576","0.0009","90","","90.897","0.002","90","","3112.51","0.19","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(p-fluorophenylisocyanide)platinum dichloride","cis-Dichlorobis(p-fluorophenylisocyanide)platinum(II)","","- C14 H8 Cl2 F2 N2 Pt -","- C14 H8 Cl2 F2 N2 Pt -","- C112 H64 Cl16 F16 N16 Pt8 -","8","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0505","0.0296","","","0.0527","0.0585","","","","","","1.035","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330615","9.5569","0.0004","13.2609","0.0005","24.5769","0.0011","97.089","0.003","94.043","0.002","104.483","0.002","2976","0.2","115","2","115","2","","","","","","","","6","P -1","-P 1","2","Bis(p-fluorophenylisocyanide)palladium dichloride","cis-Dichlorobis(4-fluorophenylisocyanide)palladium(II)","","- C14 H8 Cl2 F2 N2 Pd -","- C14 H8 Cl2 F2 N2 Pd -","- C112 H64 Cl16 F16 N16 Pd8 -","8","4","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0566","0.0484","","","0.1261","0.1298","","","","","","1.287","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330616","15.9578","0.0006","15.3189","0.0005","6.552","0.0003","90","","92.184","0.002","90","","1600.51","0.11","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(phenylisocyanide) platinum dichloride","cis-Dichlorobis(phenylisocyanide)platinum(II)","","- C14 H10 Cl2 N2 Pt -","- C14 H10 Cl2 N2 Pt -","- C56 H40 Cl8 N8 Pt4 -","4","1","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0482","0.0391","","","0.1138","0.1189","","","","","","1.179","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330617","15.932","0.0003","15.3613","0.0004","6.5166","0.0001","90","","92.144","0.001","90","","1593.73","0.06","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(phenylisocyanide) palladium dichloride","cis-Dichlorobis(phenylisocyanide)palladium(II)","","- C14 H10 Cl2 N2 Pd -","- C14 H10 Cl2 N2 Pd -","- C56 H40 Cl8 N8 Pd4 -","4","1","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0415","0.0262","","","0.0589","0.0637","","","","","","1.017","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330618","24.5366","0.0001","24.5366","0.0001","6.5728","0.0001","90","","90","","90","","3957.12","0.06","298","2","298","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","Bis(p-tolylisocyanide) platinum dichloride","cis-Dichlorobis(4-methylphenylisocyanide)platinum(II)","","- C16 H14 Cl2 N2 Pt -","- C16 H14 Cl2 N2 Pt -","- C128 H112 Cl16 N16 Pt8 -","8","0.5","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.026","0.0188","","","0.0453","0.047","","","","","","1.051","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330619","24.5268","0.0002","24.5268","0.0002","6.5445","0.0001","90","","90","","90","","3936.94","0.08","298","2","298","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","Bis(p-tolylisocyanide) palladium dichloride","cis-Dichlorobis(4-methylphenylisocyanide)palladium(II)","","- C16 H14 Cl2 N2 Pd -","- C16 H14 Cl2 N2 Pd -","- C128 H112 Cl16 N16 Pd8 -","8","0.5","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0515","0.0397","","","0.0979","0.1024","","","","","","1.081","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330620","8.9518","0.0001","15.3609","0.0002","15.4429","0.0003","113.331","0.001","97.016","0.001","100.525","0.001","1872.06","0.05","115","2","115","2","","","","","","","","6","P -1","-P 1","2","Bis(p-methoxyphenylisocyanide) platinum dichloride CH2Cl2 hemisolvate","cis-Dichlorobis(4-methoxyphenylisocyanide)platinum(II) dichloromethane hemisolvate","","- C16.5 H15 Cl3 N2 O2 Pt -","- C16.5 H15 Cl3 N2 O2 Pt -","- C66 H60 Cl12 N8 O8 Pt4 -","4","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0271","0.0186","","","0.0374","0.0398","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330621","8.9948","0.0001","15.255","0.0002","15.3945","0.0002","112.743","0.001","97.176","0.001","100.283","0.001","1872.55","0.04","115","2","115","2","","","","","","","","6","P -1","-P 1","2","Platinum bis(p-methoxyphenylisocyanide) dichloride chlorobenzene solvate","cis-Dichlorobis(4-methoxyphenylisocyanide)platinum(II) chlorobenzene one-quarter solvate","","- C17.5 H15.25 Cl2.25 N2 O2 Pt -","- C17.5 H15.25 Cl2.25 N2 O2 Pt -","- C70 H61 Cl9 N8 O8 Pt4 -","4","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0279","0.0202","","","0.041","0.0433","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330622","13.2283","0.0002","13.9112","0.0002","14.4607","0.0002","107.146","0.001","101.539","0.001","118.042","0.001","2055.44","0.07","115","2","115","2","","","","","","","","6","P -1","-P 1","2","Platinum bis(p-methoxyphenylisocyanide) dichloride o-dichlorobenzene solvate","cis-Dichlorobis(4-methoxyphenylisocyanide)platinum(II) 1,2-dichlorobenzene hemisolvate","","- C19 H16 Cl3 N2 O2 Pt -","- C19 H16 Cl3 N2 O2 Pt -","- C76 H64 Cl12 N8 O8 Pt4 -","4","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0183","0.0159","","","0.0354","0.0361","","","","","","1.04","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330623","12.2899","0.0003","12.355","0.0003","14.1451","0.0003","96.317","0.001","104.314","0.001","118.329","0.001","1765.61","0.08","115","2","115","2","","","","","","","","6","P -1","-P 1","2","Bis(p-methoxyphenylisocyanide) palladium dichloride","cis-Dichlorobis(4-methoxyphenylisocyanide)palladium(II)","","- C16 H14 Cl2 N2 O2 Pd -","- C16 H14 Cl2 N2 O2 Pd -","- C64 H56 Cl8 N8 O8 Pd4 -","4","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0301","0.0225","","","0.0503","0.0534","","","","","","1.022","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330624","13.576","0.002","13.705","0.002","14.78","0.002","76.369","0.009","64.259","0.008","71.257","0.009","2330.8","0.6","115","2","115","2","","","","","","","","6","P -1","-P 1","2","Bis(p-methoxyphenylisocyanide) palladium dichloride o-dichlorobenzene solvate","cis-Dichlorobis(4-methoxyphenylisocyanide)palladium(II) 1,2-dichlorobenzene solvate","","- C22 H18 Cl4 N2 O2 Pd -","- C22 H18 Cl4 N2 O2 Pd -","- C88 H72 Cl16 N8 O8 Pd4 -","4","2","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0331","0.0279","","","0.0708","0.0738","","","","","","1.044","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330625","8.0404","0.0002","10.4016","0.0003","10.8137","0.0003","85.111","0.001","80.174","0.001","87.225","0.001","887.34","0.04","115","2","115","2","","","","","","","","5","P -1","-P 1","2","Bis(2,6-dimethylphenylisocyanide) platinum dichloride","cis-Dichlorobis(2,6-dimethylphenylisocyanide)platinum(II)","","- C18 H18 Cl2 N2 Pt -","- C18 H18 Cl2 N2 Pt -","- C36 H36 Cl4 N4 Pt2 -","2","1","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0147","0.0139","","","0.0336","0.0339","","","","","","1.04","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330626","8.0383","0.0001","10.4097","0.0001","10.7831","0.0001","85.4011","0.0004","80.3707","0.0005","87.624","0.0005","886.352","0.016","115","2","115","2","","","","","","","","5","P -1","-P 1","2","Bis(2,6-dimethylphenylisocyanide) palladium dichloride","cis-Dichlorobis(2,6-dimethylphenylisocyanide)palladium(II)","","- C18 H18 Cl2 N2 Pd -","- C18 H18 Cl2 N2 Pd -","- C36 H36 Cl4 N4 Pd2 -","2","1","","Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter","Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes","Inorganic Chemistry","2012","51","","10728","10746","10.1021/ic301104a","","x-ray","0.71073","MoKα","","0.0166","0.0158","","","0.0399","0.0404","","","","","","1.054","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330627","5.2697","0.0002","8.7858","0.0002","5.2352","0.0002","90","","113.142","0.004","90","","222.878","0.015","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu2 Li8 O12 Te2 -","- Cu1.96 Li8.04 O12 Te2 -","- Cu1.96 Li8.04 O12 Te2 -","1","0.125","","Vinod Kumar; Neha Bhardwaj; Nobel Tomar; Vaishali Thakral; S. Uma","Novel Lithium-Containing Honeycomb Structures","Inorganic Chemistry","2012","51","","10471","10473","10.1021/ic301125n","","","0.71073","MoKα","","0.0093","0.0093","","","","0.0246","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330628","5.4477","0.001","8.6822","0.0012","5.3247","0.001","90","","115.19","0.02","90","","227.9","0.08","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu2.72 Li7.4 O12 Te1.88 -","- Cu2.72 Li7.4 O12 Te1.88 -","- Cu2.72 Li7.4 O12 Te1.88 -","1","0.125","","Vinod Kumar; Neha Bhardwaj; Nobel Tomar; Vaishali Thakral; S. Uma","Novel Lithium-Containing Honeycomb Structures","Inorganic Chemistry","2012","51","","10471","10473","10.1021/ic301125n","","","0.71073","MoKα","","0.013","0.013","","","","0.0311","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330629","5.2262","0.0013","8.892","0.002","5.1601","0.0012","90","","110.93","0.03","90","","223.97","0.1","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Co2 Li8 O12 Te2 -","- Co2 Li8 O12 Te2 -","- Co2 Li8 O12 Te2 -","1","0.125","","Vinod Kumar; Neha Bhardwaj; Nobel Tomar; Vaishali Thakral; S. Uma","Novel Lithium-Containing Honeycomb Structures","Inorganic Chemistry","2012","51","","10471","10473","10.1021/ic301125n","","","0.71073","MoKα","","0.0201","0.0201","","","","0.0413","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330630","19.1999","0.001","10.8924","0.0006","14.141","0.0008","90","","126.285","0.002","90","","2383.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Br2 Cu2 N6 -","- C20 H30 Br2 Cu2 N6 -","- C80 H120 Br8 Cu8 N24 -","4","0.5","","Sara A. Turner; Zachary D. Remillard; Desire T. Gijima; Emily Gao; Robert D. Pike; Christopher Goh","Syntheses and Structures of Closely Related Copper(I) Complexes of Tridentate (2-Pyridylmethyl)imine and (2-Pyridylmethyl)amine Ligands and Their Use in Mediating Atom Transfer Radical Polymerizations","Inorganic Chemistry","2012","51","","10762","10773","10.1021/ic3011585","","","1.54178","CuKα","","0.0202","0.0188","","","0.0502","0.051","","","","","","1.014","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330631","9.5478","0.0002","10.7726","0.0002","11.8274","0.0002","89.655","0.002","72.465","0.002","84.594","0.002","1154.5","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H51 Br4 Cu4 N9 O4 -","- C38 H51 Br4 Cu4 N9 O4 -","- C38 H51 Br4 Cu4 N9 O4 -","1","0.5","","Sara A. Turner; Zachary D. Remillard; Desire T. Gijima; Emily Gao; Robert D. Pike; Christopher Goh","Syntheses and Structures of Closely Related Copper(I) Complexes of Tridentate (2-Pyridylmethyl)imine and (2-Pyridylmethyl)amine Ligands and Their Use in Mediating Atom Transfer Radical Polymerizations","Inorganic Chemistry","2012","51","","10762","10773","10.1021/ic3011585","","","1.54178","CuKα","","0.047","0.0368","","","0.0916","0.0984","","","","","","1.029","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330632","7.2009","0.0001","18.5294","0.0003","9.6101","0.0001","90","","110.527","0.001","90","","1200.85","0.03","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Br Cu N2 S -","- C9 H12 Br Cu N2 S -","- C36 H48 Br4 Cu4 N8 S4 -","4","1","","Sara A. Turner; Zachary D. Remillard; Desire T. Gijima; Emily Gao; Robert D. Pike; Christopher Goh","Syntheses and Structures of Closely Related Copper(I) Complexes of Tridentate (2-Pyridylmethyl)imine and (2-Pyridylmethyl)amine Ligands and Their Use in Mediating Atom Transfer Radical Polymerizations","Inorganic Chemistry","2012","51","","10762","10773","10.1021/ic3011585","","","1.54178","CuKα","","0.029","0.0272","","","0.068","0.0692","","","","","","1.084","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330633","7.3744","0.0001","13.4167","0.0002","13.9213","0.0002","90","","90","","90","","1377.37","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Br Cu N3 -","- C11 H17 Br Cu N3 -","- C44 H68 Br4 Cu4 N12 -","4","1","","Sara A. Turner; Zachary D. Remillard; Desire T. Gijima; Emily Gao; Robert D. Pike; Christopher Goh","Syntheses and Structures of Closely Related Copper(I) Complexes of Tridentate (2-Pyridylmethyl)imine and (2-Pyridylmethyl)amine Ligands and Their Use in Mediating Atom Transfer Radical Polymerizations","Inorganic Chemistry","2012","51","","10762","10773","10.1021/ic3011585","","","1.54178","CuKα","","0.0175","0.0173","","","0.0441","0.0442","","","","","","1.089","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330634","12.0347","0.0002","8.3651","0.0001","15.2742","0.0002","90","","98.112","0.001","90","","1522.29","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Br Cu N3 -","- C13 H23 Br Cu N3 -","- C52 H92 Br4 Cu4 N12 -","4","1","","Sara A. Turner; Zachary D. Remillard; Desire T. Gijima; Emily Gao; Robert D. Pike; Christopher Goh","Syntheses and Structures of Closely Related Copper(I) Complexes of Tridentate (2-Pyridylmethyl)imine and (2-Pyridylmethyl)amine Ligands and Their Use in Mediating Atom Transfer Radical Polymerizations","Inorganic Chemistry","2012","51","","10762","10773","10.1021/ic3011585","","","1.54178","CuKα","","0.0194","0.0191","","","0.0524","0.0527","","","","","","1.001","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330635","55.4","0.002","12.4426","0.0005","25.4089","0.0011","90","","115.282","0.001","90","","15837.2","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H84 Cl5 N25 O2 Pt5 -","- C70 H84 Cl5 N25 O2 Pt5 -","- C560 H672 Cl40 N200 O16 Pt40 -","8","1","","Jamal Lasri; Maxim L. Kuznetsov; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro","PtII-Mediated Imine-Nitrile Coupling Leading to Symmetrical (1,3,5,7,9-Pentaazanona-1,3,6,8-tetraenato)Pt(II) Complexes Containing the Incorporated 1,3-Diiminoisoindoline Moiety","Inorganic Chemistry","2012","51","","10774","10786","10.1021/ic301176b","","","0.71069","MoKα","","0.0605","0.0351","","","0.0652","0.0704","","","","","","1.006","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330636","13.3847","0.0006","23.6077","0.001","6.9904","0.0003","90","","120.469","0.002","90","","1903.81","0.15","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H14 Cl N5 Pt -","- C22 H14 Cl N5 Pt -","- C88 H56 Cl4 N20 Pt4 -","4","1","","Jamal Lasri; Maxim L. Kuznetsov; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro","PtII-Mediated Imine-Nitrile Coupling Leading to Symmetrical (1,3,5,7,9-Pentaazanona-1,3,6,8-tetraenato)Pt(II) Complexes Containing the Incorporated 1,3-Diiminoisoindoline Moiety","Inorganic Chemistry","2012","51","","10774","10786","10.1021/ic301176b","","","0.71073","MoKα","","0.04","0.0305","","","0.0548","0.0581","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330637","10.196","0.004","8.487","0.006","7.388","0.002","90","","90","","90","","639.3","0.5","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Cu5.143 In2 Sb2 -","- Cu5.143 In2 Sb2 -","- Cu20.572 In8 Sb8 -","4","0.5","","Carola J. Müller; Sven Lidin; Susana Ramos de Debiaggi; Crispulo E. Deluque Toro; Armando Fernández Guillermet","Synthesis, Structural Characterization, and Ab Initio Study of Cu5+δIn2+xSb2-x: A New B8-Related Structure Type","Inorganic Chemistry","2012","51","","10787","10792","10.1021/ic3011794","","x-ray","0.7107","MoKα","","0.0901","0.0602","","","0.0581","0.063","","","","1.77","1.77","1.59","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4330638","8.5124","0.0017","14.73","0.003","8.4995","0.0017","90","","90","","90","","1065.7","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Au1.03 Ge2.97 Yb2 -","- Au1.028 Ge2.972 Yb2 -","- Au8.224 Ge23.776 Yb16 -","8","0.25","","Sebastian C. Peter; Sumanta Sarkar; Mercouri G. Kanatzidis","Metallic Yb2AuGe3: An Ordered Superstructure in the AlB2-Type Family with Mixed-Valent Yb and a High-Temperature Phase Transition","Inorganic Chemistry","2012","51","","10793","10799","10.1021/ic301197w","","","0.71073","MoKα","","0.0567","0.0544","","","0.1201","0.1212","","","","","","1.188","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330639","10.8608","0.001","12.3281","0.0012","14.6567","0.0015","91.223","0.004","103.273","0.003","95.777","0.003","1898.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H72 Cl4 Cu2 F12 N6 P2 -","- C84 H72 Cl4 Cu2 F12 N6 P2 -","- C84 H72 Cl4 Cu2 F12 N6 P2 -","1","0.5","","Subhadip Neogi; Gregor Schnakenburg; Yvonne Lorenz; Marianne Engeser; Michael Schmittel","Implications of Stoichiometry-Controlled Structural Changeover Between Heteroleptic Trigonal [Cu(phenAr2)(py)]+ and Tetragonal [Cu(phenAr2)(py)2]+ Motifs for Solution and Solid-State Supramolecular Self-Assembly","Inorganic Chemistry","2012","51","","10832","10841","10.1021/ic301286w","","","0.71073","MoKα","","0.0379","0.0322","","","0.0834","0.0865","","","","","","1.045","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330640","11.2036","0.0015","12.4267","0.0016","13.7106","0.0016","94.47","0.004","102.371","0.004","101.737","0.004","1810.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H68 Cl4 Cu2 F6 N6 O6 S2 -","- C76 H68 Cl4 Cu2 F6 N6 O6 S2 -","- C76 H68 Cl4 Cu2 F6 N6 O6 S2 -","1","0.5","","Subhadip Neogi; Gregor Schnakenburg; Yvonne Lorenz; Marianne Engeser; Michael Schmittel","Implications of Stoichiometry-Controlled Structural Changeover Between Heteroleptic Trigonal [Cu(phenAr2)(py)]+ and Tetragonal [Cu(phenAr2)(py)2]+ Motifs for Solution and Solid-State Supramolecular Self-Assembly","Inorganic Chemistry","2012","51","","10832","10841","10.1021/ic301286w","","","0.71073","MoKα","","0.1165","0.0748","","","0.1719","0.1924","","","","","","1.026","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330641","41.081","0.003","23.644","0.0016","27.5317","0.0018","90","","117.061","0.003","90","","23814","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C122 H111 Cl2 Cu3 F18 N9 O P3 -","- C122 H111 Cl2 Cu3 F18 N9 O P3 -","- C976 H888 Cl16 Cu24 F144 N72 O8 P24 -","8","1","","Subhadip Neogi; Gregor Schnakenburg; Yvonne Lorenz; Marianne Engeser; Michael Schmittel","Implications of Stoichiometry-Controlled Structural Changeover Between Heteroleptic Trigonal [Cu(phenAr2)(py)]+ and Tetragonal [Cu(phenAr2)(py)2]+ Motifs for Solution and Solid-State Supramolecular Self-Assembly","Inorganic Chemistry","2012","51","","10832","10841","10.1021/ic301286w","","","0.71073","MoKα","","0.1456","0.1091","","","0.3108","0.336","","","","","","1.221","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330642","18.9238","0.0004","10.6747","0.0003","18.5213","0.0005","90","","90","","90","","3741.41","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H36 Cu F6 N4 P -","- C42 H36 Cu F6 N4 P -","- C168 H144 Cu4 F24 N16 P4 -","4","1","","Subhadip Neogi; Gregor Schnakenburg; Yvonne Lorenz; Marianne Engeser; Michael Schmittel","Implications of Stoichiometry-Controlled Structural Changeover Between Heteroleptic Trigonal [Cu(phenAr2)(py)]+ and Tetragonal [Cu(phenAr2)(py)2]+ Motifs for Solution and Solid-State Supramolecular Self-Assembly","Inorganic Chemistry","2012","51","","10832","10841","10.1021/ic301286w","","","0.71073","MoKα","","0.0501","0.0458","","","0.1211","0.1249","","","","","","1.045","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330643","14.5479","0.0007","36.7355","0.0017","16.9674","0.0008","90","","95.547","0.001","90","","9025.3","0.7","172","2","172","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cu F6 N4 P -","- C40 H36 Cu F3 N4 P0.5 -","- C320 H288 Cu8 F24 N32 P4 -","8","2","","Subhadip Neogi; Gregor Schnakenburg; Yvonne Lorenz; Marianne Engeser; Michael Schmittel","Implications of Stoichiometry-Controlled Structural Changeover Between Heteroleptic Trigonal [Cu(phenAr2)(py)]+ and Tetragonal [Cu(phenAr2)(py)2]+ Motifs for Solution and Solid-State Supramolecular Self-Assembly","Inorganic Chemistry","2012","51","","10832","10841","10.1021/ic301286w","","","0.71073","MoKα","","0.2568","0.1281","","","0.2833","0.3082","","","","","","1.093","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330644","13.685","0.003","5.3346","0.0011","18.217","0.004","90","","90","","90","","1329.9","0.5","296","2","296","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- B Cd3 Na3 O16 P4 -","- B Cd3 Na3 O16 P4 -","- B4 Cd12 Na12 O64 P16 -","4","1","","Yunjing Shi; Shilie Pan; Xiaoyu Dong; Ying Wang; Min Zhang; Fangfang Zhang; Zhongxiang Zhou","Na3Cd3B(PO4)4: A New Noncentrosymmetric Borophosphate with Zero-Dimensional Anion Units","Inorganic Chemistry","2012","51","","10870","10875","10.1021/ic301351k","","","0.71073","MoKα","","0.0423","0.0389","","","0.1018","0.1049","","","","","","1.108","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330645","14.394","0.005","24.05","0.007","20.545","0.005","90","","116.03","0.017","90","","6391","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 O7 Zr -","- C76 H64 O7 Zr -","- C304 H256 O28 Zr4 -","4","1","","Laurine Azor; Corinne Bailly; Lydia Brelot; Marc Henry; Pierre Mobian; Samuel Dagorne","Stereoselective Synthesis of Biphenolate/Binaphtolate Titanate and Zirconate Alkoxide Species: Structural Characterization and Use in the Controlled ROP of Lactide","Inorganic Chemistry","2012","51","","10876","10883","10.1021/ic301352t","","","0.71073","MoKα","","0.157","0.0877","","","0.1972","0.221","","","","","","1.049","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330646","11.092","0.0002","21.118","0.0006","20.417","0.0005","90","","92.43","0.0012","90","","4778.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Cl2 Li O6 Ti -","- C56 H48 Cl2 Li O6 Ti -","- C224 H192 Cl8 Li4 O24 Ti4 -","4","1","","Laurine Azor; Corinne Bailly; Lydia Brelot; Marc Henry; Pierre Mobian; Samuel Dagorne","Stereoselective Synthesis of Biphenolate/Binaphtolate Titanate and Zirconate Alkoxide Species: Structural Characterization and Use in the Controlled ROP of Lactide","Inorganic Chemistry","2012","51","","10876","10883","10.1021/ic301352t","","","0.7107","MoKα","","0.0917","0.0551","","","0.1486","0.1791","","","","","","1.037","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330647","12.9378","0.0004","21.2271","0.0007","23.9465","0.0006","90","","106.882","0.002","90","","6293.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H57 Cl2 Li O6 Ti -","- C72 H57 Cl2 Li O6 Ti -","- C288 H228 Cl8 Li4 O24 Ti4 -","4","1","","Laurine Azor; Corinne Bailly; Lydia Brelot; Marc Henry; Pierre Mobian; Samuel Dagorne","Stereoselective Synthesis of Biphenolate/Binaphtolate Titanate and Zirconate Alkoxide Species: Structural Characterization and Use in the Controlled ROP of Lactide","Inorganic Chemistry","2012","51","","10876","10883","10.1021/ic301352t","","","0.71073","MoKα","","0.1084","0.0649","","","0.1681","0.186","","","","","","1.05","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330648","9.785","0.003","13.75","0.003","17.194","0.005","89.13","0.02","85.11","0.02","73.82","","2213.5","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H48 O6 Zr -","- C56 H48 O6 Zr -","- C112 H96 O12 Zr2 -","2","1","","Laurine Azor; Corinne Bailly; Lydia Brelot; Marc Henry; Pierre Mobian; Samuel Dagorne","Stereoselective Synthesis of Biphenolate/Binaphtolate Titanate and Zirconate Alkoxide Species: Structural Characterization and Use in the Controlled ROP of Lactide","Inorganic Chemistry","2012","51","","10876","10883","10.1021/ic301352t","","","0.71073","MoKα","","0.087","0.0568","","","0.1507","0.1741","","","","","","1.061","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330649","14.6984","0.001","16.7607","0.0011","21.9219","0.0015","97.417","0.004","104.21","0.004","111.41","0.004","4728.8","0.6","97","2","97","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H37 Cl7 N7 O6 P3 Zn -","- C38.5 H37 Cl7 N7 O6 P3 Zn -","- C154 H148 Cl28 N28 O24 P12 Zn4 -","4","2","","Eric W. Ainscough; Andrew M. Brodie; Patrick J. B. Edwards; Geoffrey B. Jameson; Carl A. Otter; Stephen Kirk","Zinc, Cadmium, and Mercury Complexes of a Pyridyloxy-Substituted Cyclotriphosphazene: Syntheses, Structures, and Fluxional Behavior","Inorganic Chemistry","2012","51","","10884","10892","10.1021/ic3013574","","","0.71073","MoKα","","0.1366","0.068","","","0.1716","0.2243","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330650","17.512","0.004","15.99","0.003","14.686","0.003","90","","92.93","0.03","90","","4107","1.5","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 Cl4 N7 O6 P3 Zn -","- C37 H34 Cl4 N7 O6 P3 Zn -","- C148 H136 Cl16 N28 O24 P12 Zn4 -","4","1","","Eric W. Ainscough; Andrew M. Brodie; Patrick J. B. Edwards; Geoffrey B. Jameson; Carl A. Otter; Stephen Kirk","Zinc, Cadmium, and Mercury Complexes of a Pyridyloxy-Substituted Cyclotriphosphazene: Syntheses, Structures, and Fluxional Behavior","Inorganic Chemistry","2012","51","","10884","10892","10.1021/ic3013574","","","0.71073","MoKα","","0.0724","0.0572","","","0.1506","0.1642","","","","","","1.017","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330651","13.8423","0.0005","17.6519","0.0007","27.6057","0.0011","90.811","0.002","94.71","0.002","101.398","0.002","6586.7","0.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H107.25 Cd3 Cl11.5 N21 O18.25 P9 -","- C113 H106.75 Cd3 Cl11.5 N21 O18.25 P9 -","- C226 H213.5 Cd6 Cl23 N42 O36.5 P18 -","2","1","","Eric W. Ainscough; Andrew M. Brodie; Patrick J. B. Edwards; Geoffrey B. Jameson; Carl A. Otter; Stephen Kirk","Zinc, Cadmium, and Mercury Complexes of a Pyridyloxy-Substituted Cyclotriphosphazene: Syntheses, Structures, and Fluxional Behavior","Inorganic Chemistry","2012","51","","10884","10892","10.1021/ic3013574","","","0.71073","MoKα","","0.0914","0.0594","","","0.1025","0.1128","","","","","","1.068","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330652","15.0443","0.0009","20.1203","0.0012","18.3601","0.0011","90","","94.96","0.003","90","","5536.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tt3229","tt3229","","- C61 H77 B N2 O3 P2 Ru -","- C61 H77 B N2 O3 P2 Ru -","- C244 H308 B4 N8 O12 P8 Ru4 -","4","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0388","0.027","","","0.0641","0.0717","","","","","","1.051","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330653","10.2885","0.0002","18.762","0.0005","20.8913","0.0005","90","","90","","90","","4032.71","0.16","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","tt3299","tt3299","","- C37 H58 F6 N3 O P3 Ru -","- C37 H58 F6 N3 O P3 Ru -","- C148 H232 F24 N12 O4 P12 Ru4 -","4","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.021","0.0188","","","0.0466","0.0476","","","","","","1.067","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330654","10.969","0.0008","17.125","0.0013","11.841","0.0008","90","","105.713","0.004","90","","2141.1","0.3","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","tt4_77","tt4_77","","- C34 H51 Cl4 F3 N2 O6 P2 Ru S -","- C34 H51 Cl4 F3 N2 O6 P2 Ru S -","- C68 H102 Cl8 F6 N4 O12 P4 Ru2 S2 -","2","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.052","0.039","","","0.0827","0.0885","","","","","","1.023","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330655","33.862","0.0014","8.3781","0.0003","19.8445","0.0008","90","","110.85","0.004","90","","5261.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tt3274","tt3274","","- C25 H49 Cl P2 Ru -","- C25 H49 Cl P2 Ru -","- C200 H392 Cl8 P16 Ru8 -","8","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0277","0.0213","","","0.047","0.0498","","","","","","1.048","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330656","9.9055","0.0006","19.7003","0.0012","15.1944","0.001","90","","92.242","0.003","90","","2962.8","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","tt_4_13","tt_4_13","","- C25 H49 F6 O2 P3 Ru -","- C25 H49 F6 O2 P3 Ru -","- C100 H196 F24 O8 P12 Ru4 -","4","2","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0181","0.0167","","","0.0387","0.0393","","","","","","1.017","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330657","21.5703","0.0007","21.5703","0.0007","15.586","0.0008","90","","90","","90","","7251.8","0.5","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","tt4_94","tt4_94","","- C40 H47 Cl N2 P2 Ru -","- C40 H47 Cl N2 P2 Ru -","- C320 H376 Cl8 N16 P16 Ru8 -","8","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0285","0.0213","","","0.0511","0.056","","","","","","1.061","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330658","25.413","0.003","13.9781","0.001","25.488","0.002","90","","96.688","0.008","90","","8992.4","1.4","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","tt4115","tt4115","","- C43.65 H52.96 Cl1.34 F3 N2 O5 P2 Ru S -","- C43.65 H52.96 Cl1.34 F3 N2 O5 P2 Ru S -","- C349.2 H423.68 Cl10.72 F24 N16 O40 P16 Ru8 S8 -","8","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0725","0.0423","","","0.0903","0.1041","","","","","","1.029","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330659","14.704","0.001","19.254","0.0014","16.909","0.0012","90","","99.2","0.003","90","","4725.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","tt4167","tt4167","","- C45 H54 F6 N2 O9 P2 Ru S2 -","- C45 H54 F6 N2 O9 P2 Ru S2 -","- C180 H216 F24 N8 O36 P8 Ru4 S8 -","4","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0884","0.0636","","","0.1225","0.1394","","","","","","1.138","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330660","12.796","0.0012","17.3536","0.0017","19.7893","0.0017","78.4","0.004","78.472","0.004","72.842","0.005","4066.4","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","tt4171","tt4171","","- C75 H116 Cl2 F12 N4 O P6 Ru2 -","- C75 H116 Cl2 F12 N4 O P6 Ru2 -","- C150 H232 Cl4 F24 N8 O2 P12 Ru4 -","2","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0434","0.0304","","","0.0685","0.0757","","","","","","1.028","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330661","11.832","0.0005","17.2336","0.0006","20.2054","0.0008","93.416","0.002","102.043","0.002","106.753","0.002","3826.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","tt_3_219","tt_3_219","","- C41 H59 Cl N2 P2 Ru -","- C41 H59 Cl N2 P2 Ru -","- C164 H236 Cl4 N8 P8 Ru4 -","4","2","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0429","0.0312","","","0.0667","0.0724","","","","","","1.053","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330662","19.9685","0.0013","20.4991","0.0013","34.441","0.002","74.747","0.001","84.898","0.001","67.497","0.001","12564.6","1.4","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C247.5 H317.36 B3 Cr Mn6 N18 O23.68 -","- C247.5 H313.115 B3 Cr Mn6 N18 O23.677 -","- C495 H626.23 B6 Cr2 Mn12 N36 O47.354 -","2","1","","Veronika Hoeke; Maik Heidemeier; Erich Krickemeyer; Anja Stammler; Hartmut Bögge; Jürgen Schnack; Andrei Postnikov; Thorsten Glaser","Environmental Influence on the Single-Molecule Magnet Behavior of [MnIII6CrIII]3+: Molecular Symmetry versus Solid-State Effects","Inorganic Chemistry","2012","51","","10929","10954","10.1021/ic301406j","","","0.71073","MoKα","","0.1058","0.0634","","","0.1724","0.2086","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330663","30.2564","0.0013","19.1091","0.0008","31.0489","0.0013","90","","95.56","0.001","90","","17867.2","1.3","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C161 H244 Cr2 Mn6 N24 O27 -","- C161 H198 Cr2 Mn6 N24 O27 -","- C644 H792 Cr8 Mn24 N96 O108 -","4","0.5","","Veronika Hoeke; Maik Heidemeier; Erich Krickemeyer; Anja Stammler; Hartmut Bögge; Jürgen Schnack; Andrei Postnikov; Thorsten Glaser","Environmental Influence on the Single-Molecule Magnet Behavior of [MnIII6CrIII]3+: Molecular Symmetry versus Solid-State Effects","Inorganic Chemistry","2012","51","","10929","10954","10.1021/ic301406j","","","0.71073","MoKα","","0.0833","0.0602","","","0.1582","0.1757","","","","","","1.048","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330664","41.0106","0.0018","18.7837","0.0008","32.3889","0.0014","90","","121.672","0.001","90","","21234.3","1.6","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C170 H282 Cr2 Mn6 N24 O37 -","- C170 H210 Cr2 Mn6 N24 O37 -","- C680 H840 Cr8 Mn24 N96 O148 -","4","0.5","","Veronika Hoeke; Maik Heidemeier; Erich Krickemeyer; Anja Stammler; Hartmut Bögge; Jürgen Schnack; Andrei Postnikov; Thorsten Glaser","Environmental Influence on the Single-Molecule Magnet Behavior of [MnIII6CrIII]3+: Molecular Symmetry versus Solid-State Effects","Inorganic Chemistry","2012","51","","10929","10954","10.1021/ic301406j","","","0.71073","MoKα","","0.0839","0.0676","","","0.2008","0.2279","","","","","","1.107","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330665","20.3291","0.0011","20.5878","0.0011","34.7747","0.0019","103.352","0.001","93.155","0.001","112.921","0.001","12871","1.2","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C254 H311 B3 Cr Mn6 N37 O13 -","- C254 H309 B3 Cr Mn6 N37 O13 -","- C508 H618 B6 Cr2 Mn12 N74 O26 -","2","1","","Veronika Hoeke; Maik Heidemeier; Erich Krickemeyer; Anja Stammler; Hartmut Bögge; Jürgen Schnack; Andrei Postnikov; Thorsten Glaser","Environmental Influence on the Single-Molecule Magnet Behavior of [MnIII6CrIII]3+: Molecular Symmetry versus Solid-State Effects","Inorganic Chemistry","2012","51","","10929","10954","10.1021/ic301406j","","","0.71073","MoKα","","0.1186","0.074","","","0.1834","0.2137","","","","","","1.037","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330666","32.206","0.0003","32.206","0.0003","31.789","0.0003","90","","90","","120","","28554.9","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C168 H267 Cr Mn6 N18 O36 -","- C168 H258 Cr Mn6 N18 O36 -","- C1008 H1548 Cr6 Mn36 N108 O216 -","6","0.333333","","Veronika Hoeke; Maik Heidemeier; Erich Krickemeyer; Anja Stammler; Hartmut Bögge; Jürgen Schnack; Andrei Postnikov; Thorsten Glaser","Environmental Influence on the Single-Molecule Magnet Behavior of [MnIII6CrIII]3+: Molecular Symmetry versus Solid-State Effects","Inorganic Chemistry","2012","51","","10929","10954","10.1021/ic301406j","","","0.71073","MoKα","","0.0722","0.0575","","","0.1515","0.1608","","","","","","1.098","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330667","22.3537","0.0012","15.7364","0.001","14.7465","0.001","90","","114.048","0.003","90","","4737.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cu I N4 O2 S -","- C22 H26 Cu I N4 O2 S -","- C176 H208 Cu8 I8 N32 O16 S8 -","8","1","","Santosh K. Sahoo; Nilufa Khatun; Himanshu Sekhar Jena; Bhisma K. Patel","Stable Cu(I) Complexes with Thioamidoguanidine Possessing Halide-Bridge Structure","Inorganic Chemistry","2012","51","","10800","10807","10.1021/ic301429g","","","0.71073","MoKα","","0.1177","0.0799","","","0.2332","0.2485","","","","","","1.095","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330668","15.471","0.0008","20.2116","0.001","14.673","0.0008","90","","90","","90","","4588.2","0.4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Br Cu N4 O2 S -","- C22 H26 Br Cu N4 O2 S -","- C176 H208 Br8 Cu8 N32 O16 S8 -","8","1","","Santosh K. Sahoo; Nilufa Khatun; Himanshu Sekhar Jena; Bhisma K. Patel","Stable Cu(I) Complexes with Thioamidoguanidine Possessing Halide-Bridge Structure","Inorganic Chemistry","2012","51","","10800","10807","10.1021/ic301429g","","","0.71073","MoKα","","0.0557","0.0453","","","0.1315","0.1354","","","","","","1.071","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330669","12.8009","0.0005","14.6565","0.0006","14.8317","0.0006","81.033","0.002","75.174","0.002","77.727","0.002","2613.34","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H56 Br3 Cu3 N8 O4 S4 -","- C44 H56 Br3 Cu3 N8 O4 S4 -","- C88 H112 Br6 Cu6 N16 O8 S8 -","2","1","","Santosh K. Sahoo; Nilufa Khatun; Himanshu Sekhar Jena; Bhisma K. Patel","Stable Cu(I) Complexes with Thioamidoguanidine Possessing Halide-Bridge Structure","Inorganic Chemistry","2012","51","","10800","10807","10.1021/ic301429g","","","0.71073","MoKα","","0.0896","0.0366","","","0.0756","0.0898","","","","","","1.02","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330670","13.105","0.0003","10.514","0.0002","18.753","0.0005","90","","103.183","0.001","90","","2515.81","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H60 Cu6 N8 O30 S6 -","- C20 H60 Cu6 N8 O30 S6 -","- C40 H120 Cu12 N16 O60 S12 -","2","0.5","","Andrew D. Burrows; Mary F. Mahon; Viorica M. Sebestyen; Yanhua Lan; Annie K. Powell","Synthesis, Structures, And Magnetic Behavior of New Anionic Copper(II) Sulfate Aggregates and Chains","Inorganic Chemistry","2012","51","","10983","10989","10.1021/ic301478x","","","0.71073","MoKα","","0.089","0.0582","","","0.123","0.1379","","","","","","1.077","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330671","8.588","0.0002","10.684","0.0003","12.817","0.0003","106.496","0.001","104.593","0.001","105.935","0.002","1012.49","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H46 Cu6 N6 O28 S6 -","- C14 H46 Cu6 N6 O28 S6 -","- C14 H46 Cu6 N6 O28 S6 -","1","0.5","","Andrew D. Burrows; Mary F. Mahon; Viorica M. Sebestyen; Yanhua Lan; Annie K. Powell","Synthesis, Structures, And Magnetic Behavior of New Anionic Copper(II) Sulfate Aggregates and Chains","Inorganic Chemistry","2012","51","","10983","10989","10.1021/ic301478x","","","0.71073","MoKα","","0.045","0.0326","","","0.076","0.0813","","","","","","1.068","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330672","6.899","0.0001","17.078","0.0004","10.386","0.0003","90","","90.779","0.001","90","","1223.58","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H13 Cu2 N O11 S2 -","- C2 H13 Cu2 N O11 S2 -","- C8 H52 Cu8 N4 O44 S8 -","4","1","","Andrew D. Burrows; Mary F. Mahon; Viorica M. Sebestyen; Yanhua Lan; Annie K. Powell","Synthesis, Structures, And Magnetic Behavior of New Anionic Copper(II) Sulfate Aggregates and Chains","Inorganic Chemistry","2012","51","","10983","10989","10.1021/ic301478x","","","0.71073","MoKα","","0.0636","0.0389","","","0.0811","0.091","","","","","","1.069","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330673","8.708","0.0008","10.958","0.001","13.765","0.0017","75.472","0.003","76.821","0.004","73.579","0.01","1202","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 As F12 O3 -","- C22 H17 As F12 O3 -","- C44 H34 As2 F24 O6 -","2","1","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.2339","0.1832","","","0.4496","0.4798","","","","","","1.093","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330674","11.534","0.0002","12.658","0.0002","15.005","0.0002","67.291","0.001","87.699","0.001","88.652","0.001","2019.16","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 As F12 O3 -","- C18 H9 As F12 O3 -","- C72 H36 As4 F48 O12 -","4","2","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.0532","0.0455","","","0.1176","0.1309","","","","","","1.086","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330675","13.494","0.0004","8.262","0.0002","23.495","0.0007","90","","97.291","0.0001","90","","2598.22","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H9 As F20 O3 -","- C22 H9 As F20 O3 -","- C88 H36 As4 F80 O12 -","4","1","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.0556","0.0471","","","0.122","0.1394","","","","","","1.143","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330676","9.834","0.0002","12.664","0.0003","13.986","0.0002","75.133","0.002","69.443","0.001","77.572","0.001","1561.14","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H9 As F28 O3 -","- C26 H9 As F28 O3 -","- C52 H18 As2 F56 O6 -","2","1","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.056","0.0521","","","0.1414","0.1519","","","","","","1.069","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330677","10.586","0.0002","27.301","0.0006","11.163","0.0003","90","","109.392","0.001","90","","3043.18","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 As F20 Na O6 -","- C23 H12 As F20 Na O6 -","- C92 H48 As4 F80 Na4 O24 -","4","1","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.0543","0.0467","","","0.1327","0.1517","","","","","","1.12","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330678","9.441","0.0002","10.73","0.0003","18.282","0.0006","105.053","0.001","100.989","0.001","94.448","0.001","1739.82","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 As F28 O2 -","- C30 H17 As F28 O2 -","- C60 H34 As2 F56 O4 -","2","1","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.1239","0.1154","","","0.3442","0.3577","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330679","18.553","0.0004","8.847","0.0002","16.874","0.0002","90","","90","","90","","2769.67","0.09","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H8 As F20 I O2 -","- C22 H8 As F20 I O2 -","- C88 H32 As4 F80 I4 O8 -","4","0.5","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.0744","0.0559","","","0.1541","0.2138","","","","","","1.121","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330680","22.931","0.0004","15.03","0.0003","9.661","0.0003","90","","100.717","0.001","90","","3271.61","0.13","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H8 As F28 I O2 -","- C26 H8 As F28 I O2 -","- C104 H32 As4 F112 I4 O8 -","4","0.5","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.0469","0.0413","","","0.114","0.1326","","","","","","1.257","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330681","10.54","0.0001","12.104","0.0002","16.173","0.0003","81.835","0.001","72.973","0.001","66.741","0.001","1811.7","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 As F28 O2 -","- C30 H17 As F28 O2 -","- C60 H34 As2 F56 O4 -","2","1","","Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto","Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds","Inorganic Chemistry","2012","51","","10996","11006","10.1021/ic3014893","","","0.71069","MoKα","","0.0483","0.0409","","","0.1174","0.1378","","","","","","1.164","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330682","13.2991","0.0018","5.7104","0.0006","4.9713","0.0006","90","","120.824","0.009","90","","324.21","0.07","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Na0.5 O2 V -","- Na0.5 O2 V -","- Na4 O16 V8 -","8","1","","Christophe Didier; Marie Guignard; Jacques Darriet; Claude Delmas","O'3-NaxVO2 System: A Superstructure for Na1/2VO2","Inorganic Chemistry","2012","51","","11007","11016","10.1021/ic301505e","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4330683","11.0491","0.0005","11.2919","0.0005","11.6718","0.0005","65.896","0.002","70.06","0.002","76.715","0.002","1242.6","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","H2pyN2dien(Me3)","","","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","- C56 H68 N12 O4 -","2","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0442","0.0378","","","0.0954","0.1002","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330684","16.7365","0.0019","12.7588","0.0015","32.639","0.004","90","","90","","90","","6969.7","1.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","H2pyN2(SN3), HOTf, MeCN","","","- C33 H40 F3 N7 O5 S2 -","- C33 H39 F3 N7 O5 S2 -","- C264 H312 F24 N56 O40 S16 -","8","2","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.1014","0.0653","","","0.1407","0.1602","","","","","","1.033","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330685","15.9011","0.001","19.9913","0.0012","21.7382","0.0014","90","","95.531","0.001","90","","6878","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H2pyN2N4(Me)2, 0.5EtOAC, 2H2O","","","- C35 H51 N7 O5 -","- C35 H47 N7 O5 -","- C280 H376 N56 O40 -","8","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0737","0.0588","","","0.1508","0.1639","","","","","","1.037","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330686","14.6152","0.0012","14.024","0.0011","14.7774","0.0012","90","","90","","90","","3028.8","0.4","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","(Et4N)[Cu(pyN2Me2)OH]","","","- C31 H42 Cu N4 O3 -","- C31 H22 Cu N4 O3 -","- C124 H88 Cu4 N16 O12 -","4","0.5","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0419","0.0391","","","0.1057","0.1101","","","","","","1.073","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330687","11.8393","0.0015","17.34","0.002","15.206","0.002","90","","93.708","0.005","90","","3115.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et4N)[Cu(pyN2Me2)HCO3]","","","- C32 H42 Cu N4 O5 -","- C32 H42 Cu N4 O5 -","- C128 H168 Cu4 N16 O20 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0683","0.0472","","","0.1152","0.1278","","","","","","1.027","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330688","12.7121","0.0008","28.3291","0.0018","15.4425","0.0009","90","","90","","90","","5561.2","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(Et4N)2[Co(PyN2Me2)2]","","","- C62 H82 Co N8 O4 -","- C62 H62 Co N8 O4 -","- C248 H248 Co4 N32 O16 -","4","0.5","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0929","0.0624","","","0.164","0.1888","","","","","","1.02","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330689","8.727","0.003","17.896","0.006","17.134","0.005","90","","100.227","0.006","90","","2633.4","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ni(OH)MnCl(PyN2dien(Me3))]","","","- C28 H33 Cl Mn N6 Ni O3 -","- C28 H33 Cl Mn N6 Ni O3 -","- C112 H132 Cl4 Mn4 N24 Ni4 O12 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.1007","0.0514","","","0.0973","0.1174","","","","","","0.987","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330690","7.8719","0.0016","19.078","0.004","17.542","0.004","90","","95.97","0.03","90","","2620.2","1","15","2","15","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ni(OH)CuCl(PyN2dien(Me3))]","","","- C28 H33 Cl Cu N6 Ni O3 -","- C28 H33 Cl Cu N6 Ni O3 -","- C112 H132 Cl4 Cu4 N24 Ni4 O12 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.41328","Synchrotron","","0.091","0.0514","","","0.1002","0.114","","","","","","1.024","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330691","12.2953","0.001","12.6618","0.001","26.974","0.002","90","","90","","90","","4199.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Me4N)[Ni(OiBu)-OH] toluene","","","- C43 H61 N7 Ni O4 -","- C43 H61 N7 Ni O4 -","- C172 H244 N28 Ni4 O16 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0459","0.0403","","","0.1022","0.1053","","","","","","1.032","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330692","8.2255","0.0005","24.841","0.0016","18.132","0.0012","90","","102.28","0.001","90","","3620.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(OiBu)-OH-CuCl].DMF","","","- C35 H48 Cl Cu N7 Ni O5 -","- C35 H48 Cl Cu N7 Ni O5 -","- C140 H192 Cl4 Cu4 N28 Ni4 O20 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0573","0.0453","","","0.1091","0.1166","","","","","","1.046","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330693","11.2981","0.0011","15.9375","0.0016","20.206","0.002","90","","105.165","0.002","90","","3511.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ni(OiBu)-CN-Fe] 0.5Et2O","","","- C35 H45 Cl Fe N7 Ni O3.5 -","- C35 H45 Cl Fe N7 Ni O3.5 -","- C140 H180 Cl4 Fe4 N28 Ni4 O14 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0565","0.0433","","","0.1048","0.1143","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330694","12.4478","0.0019","13.12","0.002","15.302","0.002","76.443","0.002","80.907","0.002","61.41","0.002","2130.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Ni(H2pyN2dien(Me3))] (Et4N)(OTf) DMF","","","- C40 H59 F3 N8 Ni O6 S -","- C40 H59 F3 N8 Ni O6 S -","- C80 H118 F6 N16 Ni2 O12 S2 -","2","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0774","0.0646","","","0.178","0.1899","","","","","","1.042","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330695","8.9626","0.0016","8.9597","0.0016","10.89","0.002","99.41","0.003","99.424","0.003","91.889","0.003","849.5","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","(Me4N)[Ni(SN3)-OH]","","","- C34 H47 N7 Ni O3 S -","- C34 H47 N7 Ni O3 S -","- C34 H47 N7 Ni O3 S -","1","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0669","0.0581","","","0.1388","0.1454","","","","","","1.038","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330696","19.5761","0.0005","7.8176","0.0002","22.1213","0.0006","90","","108.769","0.001","90","","3205.38","0.15","95","2","95","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(SN3)-H2O]","","","- C30 H36 N6 Ni O3 S -","- C30 H36 N6 Ni O3 S -","- C120 H144 N24 Ni4 O12 S4 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.39364","Synchrotron","","0.1011","0.0678","","","0.2069","0.2483","","","","","","1.113","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330697","10.9069","0.0017","17.413","0.003","18.504","0.003","90","","103.226","0.002","90","","3421.1","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ni(SN3)-Cl...Fe-Cl]","","","- C33 H41 Cl2 Fe N7 Ni O3 S -","- C33 H34 Cl2 Fe N7 Ni O3 S -","- C132 H136 Cl8 Fe4 N28 Ni4 O12 S4 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0917","0.0573","","","0.1424","0.1651","","","","","","1.035","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330698","14.8812","0.0014","14.8236","0.0014","15.4676","0.0015","90","","93.701","0.002","90","","3404.9","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni(SN3)-CN-FeCl].DMSO","","","- C33 H40 Cl Fe N7 Ni O3 S2 -","- C33 H40 Cl Fe N7 Ni O3 S2 -","- C132 H160 Cl4 Fe4 N28 Ni4 O12 S8 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0489","0.0402","","","0.0973","0.1026","","","","","","1.015","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330699","11.1284","0.0012","19.205","0.002","15.8027","0.0016","90","","94.954","0.002","90","","3364.8","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni(SN3)-OH-Cu](ClO4)(0.5DMF)","","","- C31.5 H38.5 Cl Cu N6.5 Ni O7.5 S -","- C31.5 H38.5 Cl Cu N6.5 Ni O7.5 S -","- C126 H154 Cl4 Cu4 N26 Ni4 O30 S4 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0553","0.0502","","","0.1158","0.1183","","","","","","1.184","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330700","13.1014","0.0008","12.8847","0.0008","23.4563","0.0015","90","","94.84","0.001","90","","3945.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","{Ni[pyN2N4(Me)2](OH)}, 0.5Et2O, Me4N","","","- C39 H59 N8 Ni O3.5 -","- C39 H59 N8 Ni O3.5 -","- C156 H236 N32 Ni4 O14 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0882","0.0701","","","0.1837","0.2033","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330701","18.272","0.002","11.5911","0.0013","20.991","0.002","90","","108.935","0.002","90","","4205.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(N4)(DMF)2-OH-Cu](ClO4)","","","- C39 H56 Cl Cu N9 Ni O9 -","- C39 H56 Cl Cu N9 Ni O9 -","- C156 H224 Cl4 Cu4 N36 Ni4 O36 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.1095","0.0605","","","0.1399","0.1668","","","","","","1.012","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330702","12.586","0.004","12.796","0.005","23.054","0.007","90","","94.04","0.006","90","","3704","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ni(N4)(DMF)-OH-Cu](ClO4)","","","- C36 H49 Cl Cu N8 Ni O8 -","- C36 H49 Cl Cu N8 Ni O8 -","- C144 H196 Cl4 Cu4 N32 Ni4 O32 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0955","0.0571","","","0.1254","0.1444","","","","","","1.027","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330703","20.144","0.002","12.315","0.002","22.761","0.003","90","","93.35","0.02","90","","5636.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H89 N3 Si -","- C65 H89 N3 Si -","- C260 H356 N12 Si4 -","4","1","","Prinson P. Samuel; Ramachandran Azhakar; Rajendra S. Ghadwal; Sakya S. Sen; Herbert W. Roesky; Markus Granitzka; Julia Matussek; Regine Herbst-Irmer; Dietmar Stalke","Stable Silaimines with Three- and Four-Coordinate Silicon Atoms","Inorganic Chemistry","2012","51","","11049","11054","10.1021/ic301543y","","","0.71073","MoKα","","0.0525","0.0398","","","0.0926","0.0995","","","","","","1.015","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330704","12.102","0.002","16.373","0.002","24.055","0.003","90","","92.06","0.03","90","","4763.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H59 Cl2 N3 Si2 -","- C52 H59 Cl2 N3 Si2 -","- C208 H236 Cl8 N12 Si8 -","4","1","","Prinson P. Samuel; Ramachandran Azhakar; Rajendra S. Ghadwal; Sakya S. Sen; Herbert W. Roesky; Markus Granitzka; Julia Matussek; Regine Herbst-Irmer; Dietmar Stalke","Stable Silaimines with Three- and Four-Coordinate Silicon Atoms","Inorganic Chemistry","2012","51","","11049","11054","10.1021/ic301543y","","","0.71073","MoKα","","0.0841","0.0481","","","0.1067","0.1245","","","","","","1.012","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330705","9.875","0.002","9.906","0.002","19.285","0.002","91.21","0.02","104.27","0.02","111.65","0.02","1686.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H56 N4 Si3 -","- C31 H56 N4 Si3 -","- C62 H112 N8 Si6 -","2","1","","Prinson P. Samuel; Ramachandran Azhakar; Rajendra S. Ghadwal; Sakya S. Sen; Herbert W. Roesky; Markus Granitzka; Julia Matussek; Regine Herbst-Irmer; Dietmar Stalke","Stable Silaimines with Three- and Four-Coordinate Silicon Atoms","Inorganic Chemistry","2012","51","","11049","11054","10.1021/ic301543y","","","0.71073","MoKα","","0.0478","0.0379","","","0.0928","0.0985","","","","","","1.038","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330706","13.27","0.003","16.302","0.002","25.857","0.002","87.86","0.02","82.51","0.02","82.79","0.02","5500.8","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H58 N4 Si4 -","- C31.0003 H58.0013 N4 Si4 -","- C186.002 H348.008 N24 Si24 -","6","3","","Prinson P. Samuel; Ramachandran Azhakar; Rajendra S. Ghadwal; Sakya S. Sen; Herbert W. Roesky; Markus Granitzka; Julia Matussek; Regine Herbst-Irmer; Dietmar Stalke","Stable Silaimines with Three- and Four-Coordinate Silicon Atoms","Inorganic Chemistry","2012","51","","11049","11054","10.1021/ic301543y","","","0.71073","MoKα","","0.0489","0.0368","","","0.0944","0.0995","","","","","","1.036","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330707","14.411","0.003","12.674","0.002","10.539","0.002","90","","90","","90","","1924.9","0.6","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C5 H20 N2 O16 Se4 V2 -","- C5 H20 N2 O16 Se4 V2 -","- C20 H80 N8 O64 Se16 V8 -","4","1","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0281","0.0253","","0.0634","0.0616","0.0604","","","","","","1.0068","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330708","9.903","0.004","6.077","0.002","18.013","0.006","90","","121.916","0.005","90","","920.2","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N2 O14 Se4 V2 -","- C6 H18 N2 O14 Se4 V2 -","- C12 H36 N4 O28 Se8 V4 -","2","0.5","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0511","0.0398","","0.0955","0.0876","0.0834","","","","","","1.0231","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330709","14.5262","0.0015","10.6006","0.0011","12.716","0.0014","90","","90","","90","","1958.1","0.4","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H22 N2 O16 Se4 V2 -","- C6 H22 N2 O16 Se4 V2 -","- C24 H88 N8 O64 Se16 V8 -","4","0.5","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0176","0.0163","","0.039","0.0385","0.0381","","","","","","1.0268","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330710","10.523","0.005","14.382","0.005","12.667","0.005","90","","90","","90","","1917","1.4","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H20 N2 O16 Se4 V2 -","- C5 H20 N2 O16 Se4 V2 -","- C20 H80 N8 O64 Se16 V8 -","4","1","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0224","0.0202","","0.0467","0.0455","0.0447","","","","","","0.9769","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330711","14.419","0.002","12.682","0.002","10.5365","0.0017","90","","90","","90","","1926.7","0.5","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C5 H20 N2 O16 Se4 V2 -","- C5 H20 N2 O16 Se4 V2 -","- C20 H80 N8 O64 Se16 V8 -","4","1","","Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist","Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks","Inorganic Chemistry","2012","51","","11040","11048","10.1021/ic3015496","","","0.71073","MoKα","","0.0267","0.0246","","0.0665","0.0654","0.0642","","","","","","1.0053","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330712","16.6148","0.0007","18.0701","0.0008","23.7571","0.001","75.0031","0.0014","81.7004","0.0013","87.9886","0.0019","6817.5","0.5","150","0.02","150","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C69 H36 B F24 N3 Pt -","- C69 H36 B F24 N3 Pt -","- C276 H144 B4 F96 N12 Pt4 -","4","2","","Daniel P. Lazzaro; Phillip E. Fanwick; David R. McMillin","Arylated versus Cyclometalated Platinum(II) Polypyridines: Photoluminescence from Pt(4'-R-trpy)Ph+ Systems (R = NMe2, N-Pyrrolidinyl, or 1-Pyrenyl)","Inorganic Chemistry","2012","51","","10474","10476","10.1021/ic301593b","","","0.71073","MO-Kα","","0.114","0.069","","","0.161","0.183","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330713","10.8081","0.0017","26.549","0.004","8.7543","0.0012","90","","110.926","0.013","90","","2346.3","0.6","150","0.02","150","0.02","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 F6 N4 P Pt -","- C25 H23 F6 N4 P Pt -","- C100 H92 F24 N16 P4 Pt4 -","4","0.5","","Daniel P. Lazzaro; Phillip E. Fanwick; David R. McMillin","Arylated versus Cyclometalated Platinum(II) Polypyridines: Photoluminescence from Pt(4'-R-trpy)Ph+ Systems (R = NMe2, N-Pyrrolidinyl, or 1-Pyrenyl)","Inorganic Chemistry","2012","51","","10474","10476","10.1021/ic301593b","","","1.54184","CU-Kα","","0.087","0.078","","","0.198","0.208","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330714","8.8236","0.001","10.4423","0.0008","12.1252","0.0014","106.007","0.007","93.601","0.01","112.009","0.007","978.17","0.19","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 F6 N3 P Pt -","- C21 H16 F6 N3 P Pt -","- C42 H32 F12 N6 P2 Pt2 -","2","1","","Daniel P. Lazzaro; Phillip E. Fanwick; David R. McMillin","Arylated versus Cyclometalated Platinum(II) Polypyridines: Photoluminescence from Pt(4'-R-trpy)Ph+ Systems (R = NMe2, N-Pyrrolidinyl, or 1-Pyrenyl)","Inorganic Chemistry","2012","51","","10474","10476","10.1021/ic301593b","","","1.54184","CU-Kα","","0.044","0.043","","","0.121","0.122","","","","","","1.112","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4330715","9.5507","0.0008","10.895","0.001","12.259","0.0012","100.421","0.008","95.372","0.007","112.957","0.006","1136.1","0.2","150","0.02","150","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 F6 N4 P Pt -","- C23 H21 F6 N4 P Pt -","- C46 H42 F12 N8 P2 Pt2 -","2","1","","Daniel P. Lazzaro; Phillip E. Fanwick; David R. McMillin","Arylated versus Cyclometalated Platinum(II) Polypyridines: Photoluminescence from Pt(4'-R-trpy)Ph+ Systems (R = NMe2, N-Pyrrolidinyl, or 1-Pyrenyl)","Inorganic Chemistry","2012","51","","10474","10476","10.1021/ic301593b","","","1.54184","CU-Kα","","0.056","0.053","","","0.141","0.145","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330716","11.513","0.0001","27.9599","0.0003","16.7334","0.0002","90","","133.444","0.001","90","","3910.87","0.1","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Ge Mo2 O2 P3 -","- C42 H47 Ge Mo2 O2 P3 -","- C168 H188 Ge4 Mo8 O8 P12 -","4","1","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz","Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(CO)2(μ-κ2:κ2-P2)]- Toward ER3X Electrophiles (E = C to Pb): Insights into the Multisite Donor Ability and Dynamics of the P2 Ligand","Inorganic Chemistry","2012","51","","11061","11075","10.1021/ic301612g","","x-ray","1.54184","CuKα","","0.032","0.026","","","0.0646","0.068","","","","","","1.028","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330717","10.563","0.004","12.522","0.004","18.796","0.007","78.533","0.019","88.85","0.03","79.85","0.03","2398.1","1.5","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 F3 O3 S3 -","- C26 H21 F3 O3 S3 -","- C104 H84 F12 O12 S12 -","4","2","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.1011","","","","0.2921","","","","","","1.171","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330718","8.407","0.005","11.671","0.006","12.842","0.006","71.88","0.04","76.3","0.04","79.5","0.05","1155.4","1.1","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 F3 O3 S3 -","- C24 H19 F3 O3 S3 -","- C48 H38 F6 O6 S6 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0777","","","","0.2927","","","","","","1.181","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330719","7.899","0.006","10.835","0.008","14.431","0.011","96.835","0.012","90.179","0.005","95.629","0.015","1220.3","1.6","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F3 O3 S Se2 -","- C26 H21 F3 O3 S Se2 -","- C52 H42 F6 O6 S2 Se4 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0598","","","","0.1449","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330720","9.588","0.002","11.334","0.004","12.024","0.005","87.32","0.04","73.69","0.03","65.15","0.03","1134.1","0.8","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 F3 O3 S Se2 -","- C24 H19 F3 O3 S Se2 -","- C48 H38 F6 O6 S2 Se4 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.1408","","","","0.4266","","","","","","1.44","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330721","8.046","0.007","10.746","0.01","14.582","0.012","96.49","0.03","90.305","0.019","94.56","0.03","1248.6","1.9","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F3 O3 S Te2 -","- C26 H21 F3 O3 S Te2 -","- C52 H42 F6 O6 S2 Te4 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0688","","","","0.2491","","","","","","1.172","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330722","9.463","0.008","10.06","0.009","12.976","0.012","98.62","0.02","107.098","0.018","94.009","0.019","1158.8","1.8","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 F3 O3 S Se Te -","- C24 H19 F3 O3 S Se Te -","- C48 H38 F6 O6 S2 Se2 Te2 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0818","","","","0.2794","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330723","10.549","0.005","12.528","0.005","19.099","0.008","78.09","0.03","88.67","0.03","79.24","0.03","2426","1.9","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F3 O3 S2 Se -","- C26 H21 F3 O3 S2 Se -","- C104 H84 F12 O12 S8 Se4 -","4","2","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.1001","","","","0.3122","","","","","","1.155","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330724","12.314","0.004","12.924","0.004","14.493","0.005","101.755","0.003","98.148","0.005","114.784","0.006","1982.1","1.1","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br F3 O3 S2 -","- C20 H16 Br F3 O3 S2 -","- C80 H64 Br4 F12 O12 S8 -","4","2","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0835","","","","0.2767","","","","","","1.131","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330725","10.117","0.01","11.322","0.013","12.21","0.011","76.31","0.03","67.36","0.03","84.7","0.04","1254","2","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F3 O3 S2 Te -","- C26 H21 F3 O3 S2 Te -","- C52 H42 F6 O6 S4 Te2 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0651","","","","0.1195","","","","","","1.125","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330726","7.898","0.006","11.451","0.01","12.05","0.01","106.39","0.02","93.176","0.015","96.522","0.014","1034.4","1.5","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br F3 O3 S Se -","- C20 H16 Br F3 O3 S Se -","- C40 H32 Br2 F6 O6 S2 Se2 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0871","","","","0.2914","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330727","10.5649","0.0019","12.583","0.002","19.371","0.004","78.338","0.011","88.457","0.015","79.095","0.013","2476.3","0.8","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 F3 O3 S Se Te -","- C26 H21 F3 O3 S Se Te -","- C104 H84 F12 O12 S4 Se4 Te4 -","4","2","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0682","","","","0.2311","","","","","","1.166","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330728","8.1722","0.0017","11.151","0.003","12.11","0.003","104.772","0.011","91.412","0.007","99.524","0.011","1049.8","0.4","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br F3 O3 S Te -","- C20 H14 Br F3 O3 S Te -","- C40 H28 Br2 F6 O6 S2 Te2 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0867","","","","0.1583","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330729","11.52","0.006","12.034","0.005","12.673","0.006","94.912","0.008","107.861","0.007","104.125","0.011","1596.9","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F6 O7 S2 Te2 -","- C28 H24 F6 O7 S2 Te2 -","- C56 H48 F12 O14 S4 Te4 -","2","1","","Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study","Inorganic Chemistry","2012","51","","11087","11097","10.1021/ic301627y","","","0.71075","MoKα","","","0.0622","","","","0.1992","","","","","","1.117","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330730","15.568","0.002","15.568","0.002","24.604","0.005","90","","90","","90","","5963.1","1.6","193","2","193","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C72 H56 Ag4 Pt2 -","- C72 H56 Ag4 Pt2 -","- C288 H224 Ag16 Pt8 -","4","0.5","","Qiao-Hua Wei; Li-Jing Han; Yi Jiang; Xiao-Xia Lin; Ya-Nan Duan; Guo-Nan Chen","Electrochemiluminescence Properties of [Pt2Ag4(C\τbCC6H4R)8]n (R = CH3, n= 1; R = H, n= 1 and 2) with Amine (TPrA and DBAE) as the Coreactant and Determination of Sudan I","Inorganic Chemistry","2012","51","","11117","11125","10.1021/ic3016657","","","0.71073","synchrotron","","0.0536","0.0526","","","0.1556","0.1573","","","","","","1.045","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4330731","16.043","0.002","16.043","0.002","20.62","0.004","90","","90","","90","","5307.1","1.4","193","2","193","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C128 H0 Ag8 Pt4 -","- C128 Ag8 Pt4 -","- C256 Ag16 Pt8 -","2","0.125","","Qiao-Hua Wei; Li-Jing Han; Yi Jiang; Xiao-Xia Lin; Ya-Nan Duan; Guo-Nan Chen","Electrochemiluminescence Properties of [Pt2Ag4(C\τbCC6H4R)8]n (R = CH3, n= 1; R = H, n= 1 and 2) with Amine (TPrA and DBAE) as the Coreactant and Determination of Sudan I","Inorganic Chemistry","2012","51","","11117","11125","10.1021/ic3016657","","","0.71073","synchrotron","","0.0782","0.0659","","","0.1837","0.1968","","","","","","1.081","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330732","7.5717","0.0002","7.7015","0.001","8.5073","0.0006","86.851","0.002","87.601","0.009","69.575","0.001","464.06","0.07","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C5 H6 Fe0.5 N3 O Pd0.5 S2 -","- C5 H6 Fe0.5 N3 O Pd0.5 S2 -","- C10 H12 Fe N6 O2 Pd S4 -","2","1","","Francisco J. Muñoz-Lara; Zulema Arcís-Castillo; M. Carmen Muñoz; J. Alberto Rodríguez-Velamazán; Ana B. Gaspar; José A. Real","Heterobimetallic MOFs Containing Tetrathiocyanometallate Building Blocks: Pressure-Induced Spin Crossover in the Porous {FeII(pz)[PdII(SCN)4]} 3D Coordination Polymer","Inorganic Chemistry","2012","51","","11126","11132","10.1021/ic3016673","","","0.71073","MoKα","","0.0392","0.0284","","","0.0639","0.0664","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330733","8.673","0.0011","8.673","0.0011","7.201","0.0007","90","","90","","90","","541.67","0.11","230","1","230","1","","","","","","","","6","P 4/m","-P 4","83","","","","- C8 H4 Fe N6 Pd S4 -","- C8 Fe N6 Pd S4 -","- C8 Fe N6 Pd S4 -","1","0.125","","Francisco J. Muñoz-Lara; Zulema Arcís-Castillo; M. Carmen Muñoz; J. Alberto Rodríguez-Velamazán; Ana B. Gaspar; José A. Real","Heterobimetallic MOFs Containing Tetrathiocyanometallate Building Blocks: Pressure-Induced Spin Crossover in the Porous {FeII(pz)[PdII(SCN)4]} 3D Coordination Polymer","Inorganic Chemistry","2012","51","","11126","11132","10.1021/ic3016673","","","0.71073","MoKα","","0.0823","0.0479","","","0.1143","0.1333","","","","","","1.011","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330734","13.8169","0.0005","10.5942","0.0004","12.5144","0.0005","90","","100.845","0.002","90","","1799.13","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cesium Uranyl Hydrogenselenite Selenite","Cesium Dioxouranium(VI) Hydrogenselenate(IV) Selenate(IV)","","- Cs2 H2 O16 Se4 U2 -","- Cs H O8 Se2 U -","- Cs8 H8 O64 Se16 U8 -","8","2","","Nathan A. Meredith; Matthew J. Polinski; Jian Lin; Antonio Simonetti; Thomas E. Albrecht-Schmitt","Incorporation of Neptunium(VI) into a Uranyl Selenite","Inorganic Chemistry","2012","51","","10480","10482","10.1021/ic301682b","","","0.71073","MoKα","","0.0282","0.0255","","","0.0601","0.0616","","","","","","1.046","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330735","8.4966","0.0002","10.391","0.0003","10.2087","0.0003","90","","93.693","0.001","90","","899.44","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Neptunium(VI) Doped Cesium Uranyl Hydrogenselenite Selenite","Cesium Dioxouranium(VI) Hydrogenselenate(IV) Selenate(IV)","","- Cs H O8 Se2 U -","- Cs O8 Se2 U -","- Cs4 O32 Se8 U4 -","4","1","","Nathan A. Meredith; Matthew J. Polinski; Jian Lin; Antonio Simonetti; Thomas E. Albrecht-Schmitt","Incorporation of Neptunium(VI) into a Uranyl Selenite","Inorganic Chemistry","2012","51","","10480","10482","10.1021/ic301682b","","","0.71073","MoKα","","0.0329","0.0322","","","0.083","0.0834","","","","","","1.074","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330736","10.8358","0.0007","11.7873","0.0006","17.2975","0.0011","77.769","0.004","88.802","0.005","76.706","0.004","2100.4","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 F3 N2 O4 Y -","- C40 H64 F3 N2 O4 Y -","- C80 H128 F6 N4 O8 Y2 -","2","1","","Kun Nie; Lei Fang; Yingming Yao; Yong Zhang; Qi Shen; Yaorong Wang","Synthesis and Characterization of Amine-Bridged Bis(phenolate)lanthanide Alkoxides and Their Application in the Controlled Polymerization of rac-Lactide and rac-β-Butyrolactone","Inorganic Chemistry","2012","51","","11133","11143","10.1021/ic301746c","","","0.71075","MoKα","","0.0839","0.0709","","","0.1692","0.1784","","","","","","1.108","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330737","10.8288","0.0007","11.7776","0.0006","17.2934","0.0011","77.713","0.004","88.78","0.004","76.773","0.004","2097","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 Er F3 N2 O4 -","- C40 H64 Er F3 N2 O4 -","- C80 H128 Er2 F6 N4 O8 -","2","1","","Kun Nie; Lei Fang; Yingming Yao; Yong Zhang; Qi Shen; Yaorong Wang","Synthesis and Characterization of Amine-Bridged Bis(phenolate)lanthanide Alkoxides and Their Application in the Controlled Polymerization of rac-Lactide and rac-β-Butyrolactone","Inorganic Chemistry","2012","51","","11133","11143","10.1021/ic301746c","","","0.71075","MoKα","","0.0574","0.0484","","","0.1071","0.112","","","","","","1.093","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330738","10.891","0.003","11.8","0.003","17.306","0.005","77.981","0.015","89.348","0.018","76.359","0.014","2112.3","1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 F3 N2 O4 Sm -","- C40 H64 F3 N2 O4 Sm -","- C80 H128 F6 N4 O8 Sm2 -","2","1","","Kun Nie; Lei Fang; Yingming Yao; Yong Zhang; Qi Shen; Yaorong Wang","Synthesis and Characterization of Amine-Bridged Bis(phenolate)lanthanide Alkoxides and Their Application in the Controlled Polymerization of rac-Lactide and rac-β-Butyrolactone","Inorganic Chemistry","2012","51","","11133","11143","10.1021/ic301746c","","","0.71075","MoKα","","0.1009","0.0747","","","0.1904","0.2305","","","","","","1.074","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330739","13.0187","0.0014","17.8209","0.0018","19.477","0.002","90","","90","","90","","4518.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H69 N2 O4 Y -","- C45 H69 N2 O4 Y -","- C180 H276 N8 O16 Y4 -","4","1","","Kun Nie; Lei Fang; Yingming Yao; Yong Zhang; Qi Shen; Yaorong Wang","Synthesis and Characterization of Amine-Bridged Bis(phenolate)lanthanide Alkoxides and Their Application in the Controlled Polymerization of rac-Lactide and rac-β-Butyrolactone","Inorganic Chemistry","2012","51","","11133","11143","10.1021/ic301746c","","","0.7107","MoKα","","0.0827","0.0712","","","0.1545","0.16","","","","","","1.112","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330740","10.823","0.003","11.778","0.002","17.233","0.004","77.929","0.014","89.923","0.016","77.18","0.013","2092.3","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H69 N2 O4 Y -","- C41 H69 N2 O4 Y -","- C82 H138 N4 O8 Y2 -","2","1","","Kun Nie; Lei Fang; Yingming Yao; Yong Zhang; Qi Shen; Yaorong Wang","Synthesis and Characterization of Amine-Bridged Bis(phenolate)lanthanide Alkoxides and Their Application in the Controlled Polymerization of rac-Lactide and rac-β-Butyrolactone","Inorganic Chemistry","2012","51","","11133","11143","10.1021/ic301746c","","","0.71075","MoKα","","0.0791","0.0603","","","0.1445","0.1707","","","","","","1.091","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330741","17.9555","0.001","21.0348","0.0012","21.4682","0.0013","90","","90","","90","","8108.3","0.8","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C77 H130 N4 O6 Y2 -","- C77 H116 N4 O6 Y2 -","- C308 H464 N16 O24 Y8 -","4","1","","Kun Nie; Lei Fang; Yingming Yao; Yong Zhang; Qi Shen; Yaorong Wang","Synthesis and Characterization of Amine-Bridged Bis(phenolate)lanthanide Alkoxides and Their Application in the Controlled Polymerization of rac-Lactide and rac-β-Butyrolactone","Inorganic Chemistry","2012","51","","11133","11143","10.1021/ic301746c","","","0.71075","MoKα","","0.108","0.0833","","","0.1471","0.1588","","","","","","1.125","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330742","13.2532","0.0013","13.9779","0.0013","15.8587","0.0015","72.826","0.001","75.127","0.002","78.488","0.002","2688.3","0.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","1","","","- C48 H38 As4 N4 O17 U2 Zn2 -","- C48 H36 As4 N4 O17 U2 Zn2 -","- C96 H72 As8 N8 O34 U4 Zn4 -","2","1","","Tao Tian; Weiting Yang; Qing-Jiang Pan; Zhong-Ming Sun","The First Uranyl Arsonates Featuring Heterometallic Cation-Cation Interactions with UVI=O-ZnII Bonding","Inorganic Chemistry","2012","51","","11150","11154","10.1021/ic3017479","","","0.71073","MoKα","","0.0709","0.042","","","0.0646","0.0735","","","","","","1.004","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330743","12.9575","0.0014","13.9892","0.0015","15.8969","0.0018","68.979","0.002","75.721","0.002","73.526","0.002","2545.3","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","2","","","- C44 H38 As4 N4 O17 U2 Zn2 -","- C44 H36 As4 N4 O17 U2 Zn2 -","- C88 H72 As8 N8 O34 U4 Zn4 -","2","1","","Tao Tian; Weiting Yang; Qing-Jiang Pan; Zhong-Ming Sun","The First Uranyl Arsonates Featuring Heterometallic Cation-Cation Interactions with UVI=O-ZnII Bonding","Inorganic Chemistry","2012","51","","11150","11154","10.1021/ic3017479","","","0.71073","MoKα","","0.0759","0.0447","","","0.0787","0.0908","","","","","","1.003","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330744","12.1196","0.0002","12.1196","0.0002","13.9803","0.0005","90","","90","","120","","1778.38","0.08","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 In Pr S6 -","- Ba3 In0.981 Pr0.9858 S6 -","- Ba18 In5.886 Pr5.9148 S36 -","6","0.166667","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.0126","0.0122","","","0.0293","0.0293","","","","","","1.563","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330745","12.0631","0.0017","12.0631","0.0017","13.853","0.003","90","","90","","120","","1745.8","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 In S6 Sm -","- Ba3 In S6 Sm -","- Ba18 In6 S36 Sm6 -","6","0.166667","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.022","0.0199","","","0.0377","0.0383","","","","","","1.21","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330746","12.0718","0.0017","12.0718","0.0017","13.816","0.003","90","","90","","120","","1743.6","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Gd In S6 -","- Ba3 Gd In S6 -","- Ba18 Gd6 In6 S36 -","6","0.166667","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.0252","0.0225","","","0.0569","0.0581","","","","","","1.065","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330747","12.0565","0.0017","12.0565","0.0017","13.713","0.003","90","","90","","120","","1726.3","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 In S6 Yb -","- Ba3 In1.001 S6 Yb0.999 -","- Ba18 In6.006 S36 Yb5.994 -","6","0.166667","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.0201","0.0177","","","0.0388","0.0399","","","","","","0.922","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330748","8.1634","0.0001","8.1634","0.0001","13.6093","0.0003","90","","90","","90","","906.94","0.03","153","2","153","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba2 Ga Pr S5 -","- Ba2 Ga Pr S5 -","- Ba8 Ga4 Pr4 S20 -","4","0.125","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.0265","0.0204","","","0.0451","0.0467","","","","","","1.135","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330749","8.1061","0.0011","8.1061","0.0011","13.541","0.003","90","","90","","90","","889.8","0.3","153","2","153","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba2 Ga Nd S5 -","- Ba2 Ga Nd S5 -","- Ba8 Ga4 Nd4 S20 -","4","0.125","","Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu","Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties","Inorganic Chemistry","2012","51","","11144","11149","10.1021/ic301750x","","","0.71073","MoKα","","0.0276","0.0245","","","0.0507","0.052","","","","","","1.125","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330750","11.1015","0.0003","19.3907","0.0006","12.2577","0.0004","90","","106.554","0.001","90","","2529.3","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Fe2 Ga2 N2 O2 Si2 -","- C52 H72 Fe2 Ga2 N2 O2 Si2 -","- C104 H144 Fe4 Ga4 N4 O4 Si4 -","2","0.5","","Bidraha Bagh; Nora C. Breit; Klaus Harms; Gabriele Schatte; Ian J. Burgess; Holger Braunschweig; Jens Müller","[1.1]Ferrocenophanes and Bis(ferrocenyl) Species with Aluminum and Gallium as Bridging Elements: Synthesis, Characterization, and Electrochemical Studies","Inorganic Chemistry","2012","51","","11155","11167","10.1021/ic301777y","","","1.54184","CuKα","","0.0438","0.0418","","","0.1175","0.1197","","","","","","1.039","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330751","24.8987","0.0015","8.4418","0.0003","11.9599","0.0007","90","","104.633","0.005","90","","2432.3","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl2 Ga N Si -","- C8 H12 Cl2 Ga N Si -","- C64 H96 Cl16 Ga8 N8 Si8 -","8","1","","Bidraha Bagh; Nora C. Breit; Klaus Harms; Gabriele Schatte; Ian J. Burgess; Holger Braunschweig; Jens Müller","[1.1]Ferrocenophanes and Bis(ferrocenyl) Species with Aluminum and Gallium as Bridging Elements: Synthesis, Characterization, and Electrochemical Studies","Inorganic Chemistry","2012","51","","11155","11167","10.1021/ic301777y","","","0.71073","MoKα","","0.0335","0.0218","","","0.0483","0.0501","","","","","","0.917","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330752","10.6268","0.0009","12.8724","0.001","18.6478","0.0017","88.174","0.007","82.917","0.007","87.039","0.007","2527.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Al Fe2 N Si -","- C28 H30 Al Fe2 N Si -","- C112 H120 Al4 Fe8 N4 Si4 -","4","2","","Bidraha Bagh; Nora C. Breit; Klaus Harms; Gabriele Schatte; Ian J. Burgess; Holger Braunschweig; Jens Müller","[1.1]Ferrocenophanes and Bis(ferrocenyl) Species with Aluminum and Gallium as Bridging Elements: Synthesis, Characterization, and Electrochemical Studies","Inorganic Chemistry","2012","51","","11155","11167","10.1021/ic301777y","","","0.71073","MoKα","","0.1558","0.0421","","","0.0659","0.0886","","","","","","0.581","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330753","8.0197","0.0003","22.8843","0.0006","10.1397","0.0004","90","","90.662","0.003","90","","1860.77","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Fe2 Si -","- C22 H24 Fe2 Si -","- C88 H96 Fe8 Si4 -","4","1","","Bidraha Bagh; Nora C. Breit; Klaus Harms; Gabriele Schatte; Ian J. Burgess; Holger Braunschweig; Jens Müller","[1.1]Ferrocenophanes and Bis(ferrocenyl) Species with Aluminum and Gallium as Bridging Elements: Synthesis, Characterization, and Electrochemical Studies","Inorganic Chemistry","2012","51","","11155","11167","10.1021/ic301777y","","","0.71073","MoKα","","0.0248","0.0202","","","0.0485","0.0495","","","","","","1.036","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330754","7.4304","0.0004","10.6917","0.0005","13.0227","0.0006","80.412","0.004","81.259","0.004","86.783","0.004","1007.77","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 Fe2 Si -","- C24 H28 Fe2 Si -","- C48 H56 Fe4 Si2 -","2","1","","Bidraha Bagh; Nora C. Breit; Klaus Harms; Gabriele Schatte; Ian J. Burgess; Holger Braunschweig; Jens Müller","[1.1]Ferrocenophanes and Bis(ferrocenyl) Species with Aluminum and Gallium as Bridging Elements: Synthesis, Characterization, and Electrochemical Studies","Inorganic Chemistry","2012","51","","11155","11167","10.1021/ic301777y","","","0.71073","MoKα","","0.0349","0.0255","","","0.0563","0.0576","","","","","","0.88","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330755","11.1745","0.0003","19.2904","0.0005","12.1908","0.0004","90","","106.11","0.0017","90","","2524.66","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Al2 Fe2 N2 O2 Si2 -","- C52 H72 Al2 Fe2 N2 O2 Si2 -","- C104 H144 Al4 Fe4 N4 O4 Si4 -","2","0.5","","Bidraha Bagh; Nora C. Breit; Klaus Harms; Gabriele Schatte; Ian J. Burgess; Holger Braunschweig; Jens Müller","[1.1]Ferrocenophanes and Bis(ferrocenyl) Species with Aluminum and Gallium as Bridging Elements: Synthesis, Characterization, and Electrochemical Studies","Inorganic Chemistry","2012","51","","11155","11167","10.1021/ic301777y","","","1.54184","CuKα","","0.0529","0.041","","","0.106","0.1156","","","","","","1.015","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330756","10.6289","0.0007","7.4233","0.0005","20.4411","0.0013","90","","96.686","0.001","90","","1601.87","0.18","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N2 O8 U2 -","- C12 H11 N2 O8 U2 -","- C48 H44 N8 O32 U8 -","4","1","","Pius O. Adelani; Peter C. Burns","One-Dimensional Uranyl-2,2'-bipyridine Coordination Polymer with Cation-Cation Interactions: (UO2)2(2,2'-bpy)(CH3CO2)(O)(OH)","Inorganic Chemistry","2012","51","","11177","11183","10.1021/ic301783q","","","0.71073","MoKα","","0.0385","0.0304","","","0.0595","0.0613","","","","","","1.084","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330757","5.2043","0.0003","5.2043","0.0003","10.3942","0.0005","90","","90","","120","","243.81","0.02","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Li0.88 N3.48 Nb3 O0.52 -","- Li0.873333 N3.48 Nb3 O0.52 -","- Li2.62 N10.44 Nb9 O1.56 -","3","0.125","","Teruki Motohashi; Masahiko Ito; Yuji Masubuchi; Makoto Wakeshima; Shinichi Kikkawa","Crystal Structure and Superconducting Properties of Hexagonal Lithium-Niobium Oxynitride","Inorganic Chemistry","2012","51","","11184","11189","10.1021/ic301870n","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330758","9.0455","0.0008","11.5983","0.001","11.9082","0.001","87.059","0.001","73.004","0.001","89.521","0.001","1193.15","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(MesNacNac)2Co","","","- C26 H34 Co N4 -","- C26 H34 Co N4 -","- C52 H68 Co2 N8 -","2","1","","Michael P. Marshak; Matthew B. Chambers; Daniel G. Nocera","Cobalt in a Bis-β-diketiminate Environment","Inorganic Chemistry","2012","51","","11190","11197","10.1021/ic301970w","","","0.71073","MoKα","","0.0423","0.0335","","","0.0882","0.0939","","","","","","1.037","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330759","8.5629","0.0005","8.6093","0.0005","10.7283","0.0006","110.247","0.001","97.545","0.001","96.697","0.001","724.35","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(MesNacNac)2Co(NCCH3)2","","","- C30 H40 Co N6 -","- C30 H40 Co N6 -","- C30 H40 Co N6 -","1","0.5","","Michael P. Marshak; Matthew B. Chambers; Daniel G. Nocera","Cobalt in a Bis-β-diketiminate Environment","Inorganic Chemistry","2012","51","","11190","11197","10.1021/ic301970w","","","0.71073","MoKα","","0.0362","0.0325","","","0.0839","0.0863","","","","","","1.051","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330760","14.4724","0.0013","15.0318","0.0013","19.4774","0.0017","90","","106.142","0.002","90","","4070.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(MesNacNac)2Co PF6 3THF","","","- C38 H58 Co F6 N4 O3 P -","- C38 H58 Co F6 N4 O3 P -","- C152 H232 Co4 F24 N16 O12 P4 -","4","1","","Michael P. Marshak; Matthew B. Chambers; Daniel G. Nocera","Cobalt in a Bis-β-diketiminate Environment","Inorganic Chemistry","2012","51","","11190","11197","10.1021/ic301970w","","","0.71073","MoKα","","0.0839","0.0425","","","0.094","0.1111","","","","","","1.005","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330761","4.8404","0.0008","6.6927","0.0013","11.6506","0.0016","105.704","0.015","93.165","0.012","95.322","0.015","360.5","0.11","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C6 H8 O4 Zn -","- C6 H8 O4 Zn -","- C12 H16 O8 Zn2 -","2","1","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","1.5418","CuKα","","0.0491","0.0454","","","0.1216","0.1264","","","","","","1.056","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330762","10.0358","0.0005","22.4619","0.001","11.2067","0.0007","90","","111.178","0.006","90","","2355.6","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Mn3 O14 -","- C18 H28 Mn3 O14 -","- C72 H112 Mn12 O56 -","4","1","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","1.54178","CuKα","","0.0757","0.0624","","","0.1581","0.1717","","","","","","1.01","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330763","11.2083","0.0007","11.2083","0.0007","30.269","0.003","90","","90","","120","","3293.1","0.4","125","2","125","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C6 H8 Mn O4 -","- C6 H8 Mn O4 -","- C108 H144 Mn18 O72 -","18","1","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","0.71073","MoKα","","0.0561","0.0509","","","0.1319","0.1377","","","","","","1.037","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330764","13.4747","0.0014","11.7071","0.0013","4.8928","0.0004","90","","108.007","0.01","90","","734.03","0.13","120","2","120","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Mn O4 -","- C6 H8 Mn O4 -","- C24 H32 Mn4 O16 -","4","0.5","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","0.71073","MoKα","","0.0491","0.0396","","","0.0953","0.1031","","","","","","1.023","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330765","9.8843","0.0011","11.4178","0.0014","15.884","0.002","90","","90.785","0.01","90","","1792.5","0.4","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Mn2 O12 -","- C12 H24 Mn2 O12 -","- C48 H96 Mn8 O48 -","4","1","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","1.54184","CuKα","","0.1184","0.0945","","","0.2329","0.2514","","","","","","1.044","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330766","22.682","0.003","7.0298","0.0003","10.4274","0.0006","90","","90","","90","","1662.6","0.3","125","2","125","2","","","","","","","synthesis as described","4","C m c a","-C 2ac 2","64","","","","- C6 H10 Co O5 -","- C6 H10 Co O5 -","- C48 H80 Co8 O40 -","8","","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","0.71073","MoKα","","0.0666","0.0445","","","0.1121","0.1275","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330767","13.1799","0.0012","11.6913","0.0008","4.7525","0.0003","90","","108.393","0.009","90","","694.9","0.1","120","2","120","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Co O4 -","- C6 H8 Co O4 -","- C24 H32 Co4 O16 -","4","0.5","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","0.71073","MoKα","","0.0547","0.0468","","","0.1157","0.1227","","","","","","1.063","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330768","4.8543","0.0003","6.7522","0.0005","11.7208","0.0006","105.932","0.005","92.578","0.004","95.916","0.005","366.37","0.04","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C6 H8 O4 Zn -","- C6 H8 O4 Zn -","- C12 H16 O8 Zn2 -","2","1","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","0.71073","MoKα","","0.0261","0.0233","","","0.0562","0.0576","","","","","","1.051","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330769","9.96","0.005","10.842","0.005","12.121","0.005","77.35","0.005","84.755","0.005","84.329","0.005","1267.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Ag2 Mo4 N8 O13 -","- C15 H12 Ag2 Mo4 N8 O13 -","- C30 H24 Ag4 Mo8 N16 O26 -","2","1","","Wei-Qiu Kan; Jin Yang; Ying-Ying Liu; Jian-Fang Ma","Series of Inorganic-Organic Hybrid Materials Constructed From Octamolybdates and Metal-Organic Frameworks: Syntheses, Structures, and Physical Properties","Inorganic Chemistry","2012","51","","11266","11278","10.1021/ic300134z","","","0.71069","MoKα","","0.0372","0.0296","","","0.0649","0.0687","","","","","","1.049","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330770","11.795","0.005","13.564","0.005","16.478","0.005","68.809","0.005","70.639","0.005","84.471","0.005","2318.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 Ag4 Mo8 N32 O31 -","- C60 H48 Ag4 Mo8 N32 O31 -","- C60 H48 Ag4 Mo8 N32 O31 -","1","0.5","","Wei-Qiu Kan; Jin Yang; Ying-Ying Liu; Jian-Fang Ma","Series of Inorganic-Organic Hybrid Materials Constructed From Octamolybdates and Metal-Organic Frameworks: Syntheses, Structures, and Physical Properties","Inorganic Chemistry","2012","51","","11266","11278","10.1021/ic300134z","","","0.71069","MoKα","","0.0748","0.0462","","","0.098","0.116","","","","","","1.017","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330771","19.278","0.005","25.321","0.005","11.665","0.005","90","","104.744","0.005","90","","5507","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H32 Ag3 Mo8 N16 O29.5 -","- C30 H24 Ag3 Mo8 N16 O29.5 -","- C120 H96 Ag12 Mo32 N64 O118 -","4","0.5","","Wei-Qiu Kan; Jin Yang; Ying-Ying Liu; Jian-Fang Ma","Series of Inorganic-Organic Hybrid Materials Constructed From Octamolybdates and Metal-Organic Frameworks: Syntheses, Structures, and Physical Properties","Inorganic Chemistry","2012","51","","11266","11278","10.1021/ic300134z","","","0.71069","MoKα","","0.0386","0.0294","","","0.0606","0.0648","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330772","12.08","0.005","18.297","0.005","12.7","0.005","90","","98.77","0.005","90","","2774.2","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H13.5 Ag2 Mo4 N8 O14.75 -","- C15 H10 Ag2 Mo4 N8 O14.75 -","- C60 H40 Ag8 Mo16 N32 O59 -","4","1","","Wei-Qiu Kan; Jin Yang; Ying-Ying Liu; Jian-Fang Ma","Series of Inorganic-Organic Hybrid Materials Constructed From Octamolybdates and Metal-Organic Frameworks: Syntheses, Structures, and Physical Properties","Inorganic Chemistry","2012","51","","11266","11278","10.1021/ic300134z","","","0.71069","MoKα","","0.0442","0.0361","","","0.0812","0.0851","","","","","","1.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330773","13.029","0.005","13.059","0.005","13.811","0.005","71.638","0.005","75.025","0.005","63.005","0.005","1968.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Ag2 Mo4 N16 O13.5 -","- C30 H24 Ag2 Mo4 N16 O13.5 -","- C60 H48 Ag4 Mo8 N32 O27 -","2","1","","Wei-Qiu Kan; Jin Yang; Ying-Ying Liu; Jian-Fang Ma","Series of Inorganic-Organic Hybrid Materials Constructed From Octamolybdates and Metal-Organic Frameworks: Syntheses, Structures, and Physical Properties","Inorganic Chemistry","2012","51","","11266","11278","10.1021/ic300134z","","","0.71069","MoKα","","0.0674","0.0413","","","0.074","0.0842","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330774","10.385","0.005","10.488","0.005","12.15","0.005","98.289","0.005","94.162","0.005","107.191","0.005","1241.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Ag Mo4 N8 O13 -","- C15 H13 Ag Mo4 N8 O13 -","- C30 H26 Ag2 Mo8 N16 O26 -","2","1","","Wei-Qiu Kan; Jin Yang; Ying-Ying Liu; Jian-Fang Ma","Series of Inorganic-Organic Hybrid Materials Constructed From Octamolybdates and Metal-Organic Frameworks: Syntheses, Structures, and Physical Properties","Inorganic Chemistry","2012","51","","11266","11278","10.1021/ic300134z","","","0.71069","MoKα","","0.0386","0.0284","","","0.0579","0.0625","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330775","9.4311","0.0008","9.6841","0.001","18.3666","0.0017","78.101","0.011","89.681","0.011","75.234","0.011","1585.2","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Ho N5 O15 Zn -","- C24 H32 Ho N5 O15 Zn -","- C48 H64 Ho2 N10 O30 Zn2 -","2","1","","Fanica Cimpoesu; Françoise Dahan; Sonia Ladeira; Marilena Ferbinteanu; Jean-Pierre Costes","Chiral Crystallization of a Heterodinuclear Ni-Ln Series: Comprehensive Analysis of the Magnetic Properties.","Inorganic Chemistry","2012","51","","11279","11293","10.1021/ic3001784","","","0.71073","MoKα","","0.0354","0.031","","","0.0542","0.0557","","","","","","1.107","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330776","10.0202","0.0011","15.9443","0.0014","8.8542","0.001","90","","90.942","0.013","90","","1414.4","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H28 N5 Ni O15 Yb -","- C21 H28 N5 Ni O15 Yb -","- C42 H56 N10 Ni2 O30 Yb2 -","2","1","","Fanica Cimpoesu; Françoise Dahan; Sonia Ladeira; Marilena Ferbinteanu; Jean-Pierre Costes","Chiral Crystallization of a Heterodinuclear Ni-Ln Series: Comprehensive Analysis of the Magnetic Properties.","Inorganic Chemistry","2012","51","","11279","11293","10.1021/ic3001784","","","0.71073","MoKα","","0.0208","0.0205","","","0.0483","0.0485","","","","","","1.043","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330777","28.611","0.004","28.611","0.004","25.302","0.006","90","","90","","90","","20712","6","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","Fe(II)(TFPPCl8)(1-MeIm)2","","","- C52 H12 Cl8 F20 Fe N8 -","- C52 H12 Cl8 F20 Fe N8 -","- C832 H192 Cl128 F320 Fe16 N128 -","16","1","","Ranjan Patra; Dipankar Sahoo; Soumyajit Dey; Debangsu Sil; Sankar Prasad Rath","Switching Orientation of Two Axial Imidazole Ligands between Parallel and Perpendicular in Low-Spin Fe(III) and Fe(II) Nonplanar Porphyrinates","Inorganic Chemistry","2012","51","","11294","11305","10.1021/ic300229u","","","0.71073","MoKα","","0.167","0.0692","","","0.1386","0.1841","","","","","","1.011","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330778","6.4305","0.0005","12.6753","0.001","10.6369","0.0008","90","","90.513","0.001","90","","866.96","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium Uranyl Fluoroborate","","","- B5 F Na O11 U -","- B5 F Na O11 U -","- B20 F4 Na4 O44 U4 -","4","1","","Shuao Wang; T. Gannon Parker; Daniel J. Grant; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Elucidation of Tetraboric Acid with a New Borate Fundamental Building Block in a Chiral Uranyl Fluoroborate","Inorganic Chemistry","2012","51","","11211","11213","10.1021/ic300741s","","","0.71073","MoKα","","0.0222","0.0177","","","0.0368","0.0381","","","","","","1.068","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330779","6.448","0.004","10.392","0.006","10.397","0.006","107.456","0.005","107.898","0.006","107.865","0.006","568.1","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","Rubidium Uranyl Fluoroborate","","","- B12 F6 O23 Rb2 U2 -","- B12 F6 O23 Rb2 U2 -","- B12 F6 O23 Rb2 U2 -","1","1","","Shuao Wang; T. Gannon Parker; Daniel J. Grant; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Elucidation of Tetraboric Acid with a New Borate Fundamental Building Block in a Chiral Uranyl Fluoroborate","Inorganic Chemistry","2012","51","","11211","11213","10.1021/ic300741s","","","0.71073","MoKα","","0.0314","0.0282","","","0.0626","0.0641","","","","","","0.982","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330780","6.4327","0.0001","12.8884","0.0003","10.5986","0.0002","90","","90.461","0.001","90","","878.67","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Silver Uranyl Fluoroborate","","","- Ag B5 F O11 U -","- Ag B5 F O11 U -","- Ag4 B20 F4 O44 U4 -","4","1","","Shuao Wang; T. Gannon Parker; Daniel J. Grant; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Elucidation of Tetraboric Acid with a New Borate Fundamental Building Block in a Chiral Uranyl Fluoroborate","Inorganic Chemistry","2012","51","","11211","11213","10.1021/ic300741s","","","0.71073","MoKα","","0.0331","0.025","","","0.0476","0.0501","","","","","","1.043","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330781","6.4394","0.0009","12.9584","0.0018","10.6309","0.0015","90","","90.527","0.001","90","","887.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cesium Uranyl Fluoroborate","","","- B5 Cs F O11 U -","- B5 Cs F O11 U -","- B20 Cs4 F4 O44 U4 -","4","1","","Shuao Wang; T. Gannon Parker; Daniel J. Grant; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Elucidation of Tetraboric Acid with a New Borate Fundamental Building Block in a Chiral Uranyl Fluoroborate","Inorganic Chemistry","2012","51","","11211","11213","10.1021/ic300741s","","","0.71073","MoKα","","0.0367","0.0331","","","0.0886","0.0907","","","","","","1.066","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330782","12.1738","0.0019","12.1738","0.0019","12.1738","0.0019","90","","90","","90","","1804.2","0.5","293","2","293","2","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","IrLa3Br3","Trilanthanum Iridum Tribromide","","- Br3 Ir La3 -","- Br3 Ir La3 -","- Br24 Ir8 La24 -","8","0.166667","","Simon Steinberg; Jakoah Brgoch; Gordon J. Miller; Gerd Meyer","Identifying a Structural Preference in Reduced Rare-Earth Metal Halides by Combining Experimental and Computational Techniques","Inorganic Chemistry","2012","51","","11356","11364","10.1021/ic300838a","","","0.71073","MoKα","","0.0505","0.0292","","","0.0654","0.0711","","","","","","1.024","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330783","12.1247","0.0016","12.1247","0.0016","12.1247","0.0016","90","","90","","90","","1782.4","0.4","293","2","293","2","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","RuLa3Br3","Trilanthanum Ruthenium Tribromide","","- Br3 La3 Ru -","- Br3 La3 Ru -","- Br24 La24 Ru8 -","8","0.166667","","Simon Steinberg; Jakoah Brgoch; Gordon J. Miller; Gerd Meyer","Identifying a Structural Preference in Reduced Rare-Earth Metal Halides by Combining Experimental and Computational Techniques","Inorganic Chemistry","2012","51","","11356","11364","10.1021/ic300838a","","","0.71073","MoKα","","0.0782","0.05","","","0.119","0.1282","","","","","","1.006","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330784","4.0318","0.0001","4.0318","0.0001","4.0402","0.0003","90","","90","","90","","65.675","0.005","","","300","","","","","","","","","4","P 4 m m","P 4 -2","99","barium titanate oxyhydride","barium titanate oxyhydride","","- Ba H0.19 O2.81 Ti -","- Ba H0.1848 O2.8152 Ti -","- Ba H0.1848 O2.8152 Ti -","1","0.125","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330785","5.50506","0.00004","5.50506","","7.7972","0.0001","90","","90","","90","","236.299","0.003","","","300","","","","","","","","","5","I 4/m c m","-I 4 2c","140","strontium calcium titanium oxyhydride","strontium calcium titanium oxyhydride","","- Ca0.2 H0.2 O2.8 Sr0.8 Ti -","- Ca0.2 H0.204 O2.796 Sr0.8 Ti -","- Ca0.8 H0.816 O11.184 Sr3.2 Ti4 -","4","0.125","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330786","5.48347","0.00004","5.48347","","7.7796","0.00008","90","","90","","90","","233.92","0.003","","","300","","","","","","","","","5","I 4/m c m","-I 4 2c","140","strontium calcium titanium oxyhydride","strontium calcium titanium oxyhydride","","- Ca0.4 H0.11 O2.89 Sr0.6 Ti -","- Ca0.4 H0.108 O2.892 Sr0.6 Ti -","- Ca1.6 H0.432 O11.568 Sr2.4 Ti4 -","4","0.125","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330787","5.47021","0.00006","5.4611","0.00006","7.72283","0.00001","90","","90","","90","","230.707","0.004","","","300","","","","","","","","","5","P b n m","-P 2c 2ab","62","strontium calcium titanium oxyhydride","strontium calcium titanium oxyhydride","","- Ca0.6 H0.11 O2.89 Sr0.4 Ti -","- Ca0.6 H0.105 O2.895 Sr0.4 Ti -","- Ca2.4 H0.42 O11.58 Sr1.6 Ti4 -","4","0.5","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330788","5.42792","0.00005","5.45549","0.00005","7.69587","0.00009","90","","90","","90","","227.89","0.004","","","300","","","","","","","","","5","P b n m","-P 2c 2ab","62","calcium strontium titanium oxyhydride","calcium strontium titanium oxyhydride","","- Ca0.8 H0.22 O2.78 Sr0.2 Ti -","- Ca0.8 H0.219 O2.781 Sr0.2 Ti -","- Ca3.2 H0.876 O11.124 Sr0.8 Ti4 -","4","0.5","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330789","5.3882","0.00003","5.44716","0.00003","7.65383","0.00005","90","","90","","90","","224.643","0.002","","","300","","","","","","","","","4","P b n m","-P 2c 2ab","62","calcium titanium oxyhydride","calcium titanium oxyhydride","","- Ca H0.07 O2.93 Ti -","- Ca H0.072 O2.928 Ti -","- Ca4 H0.288 O11.712 Ti4 -","4","0.5","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330790","3.98739","0.00004","3.98739","","3.98739","","90","","90","","90","","63.3966","0.0006","","","300","","","","","","","","","5","P m -3 m","-P 4 2 3","221","strontium barium titanium oxyhydride","strontium barium titanium oxyhydride","","- Ba0.8 H0.2 O2.8 Sr0.2 Ti -","- Ba0.8 H0.195 O2.805 Sr0.2 Ti -","- Ba0.8 H0.195 O2.805 Sr0.2 Ti -","1","0.0208333","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330791","3.95164","0.00007","3.95164","","3.95164","","90","","90","","90","","61.7067","0.0011","","","300","","","","","","","","","5","P m -3 m","-P 4 2 3","221","strontium barium titanium oxyhydride","strontium barium titanium oxyhydride","","- Ba0.4 H0.29 O2.71 Sr0.6 Ti -","- Ba0.4 H0.294 O2.706 Sr0.6 Ti -","- Ba0.4 H0.294 O2.706 Sr0.6 Ti -","1","0.0208333","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330792","3.91119","0.00004","3.91119","","3.91119","","90","","90","","90","","59.8311","0.0006","","","300","","","","","","","","","4","P m -3 m","-P 4 2 3","221","strontium titanium oxyhydride","strontium titanium oxyhydride","","- H0.12 O2.88 Sr Ti -","- H0.12 O2.88 Sr Ti -","- H0.12 O2.88 Sr Ti -","1","0.0208333","","Tatsunori Sakaguchi; Yoji Kobayashi; Takeshi Yajima; Masatoshi Ohkura; Cédric Tassel; Fumitaka Takeiri; Shingo Mitsuoka; Hiroshi Ohkubo; Takafumi Yamamoto; Jung eun Kim; Naruki Tsuji; Akihiko Fujihara; Yoshitaka Matsushita; James Hester; Maxim Avdeev; Kenji Ohoyama; Hiroshi Kageyama","Oxyhydrides of (Ca,Sr,Ba)TiO3 Perovskite Solid Solutions","Inorganic Chemistry","2012","51","","11371","11376","10.1021/ic300859n","powder diffraction","neutron","1.85","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330793","18.5179","0.0014","16.197","0.0012","19.1175","0.0014","90","","95.482","0.001","90","","5707.8","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H136 Cl4 N8 Nd4 O24 -","- C100 H134 Cl4 N8 Nd4 O24 -","- C200 H268 Cl8 N16 Nd8 O48 -","2","0.5","","Weixu Feng; Yao Zhang; Zhao Zhang; Xingqiang Lü; Han Liu; Guoxiang Shi; Dan Zou; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones","Anion-Induced Self-Assembly of Luminescent and Magnetic Homoleptic Cyclic Tetranuclear Ln4(Salen)4 and Ln4(Salen)2 Complexes (Ln = Nd, Yb, Er, or Gd)","Inorganic Chemistry","2012","51","","11377","11386","10.1021/ic300918c","","","0.71073","MoKα","","0.0723","0.0518","","","0.1413","0.1634","","","","","","1.11","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330794","18.506","0.003","16.011","0.002","18.964","0.003","90","","95.885","0.002","90","","5589.4","1.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H116 Cl4 Gd4 N8 O22 -","- C92 H110 Cl4 Gd4 N8 O22 -","- C184 H220 Cl8 Gd8 N16 O44 -","2","0.5","","Weixu Feng; Yao Zhang; Zhao Zhang; Xingqiang Lü; Han Liu; Guoxiang Shi; Dan Zou; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones","Anion-Induced Self-Assembly of Luminescent and Magnetic Homoleptic Cyclic Tetranuclear Ln4(Salen)4 and Ln4(Salen)2 Complexes (Ln = Nd, Yb, Er, or Gd)","Inorganic Chemistry","2012","51","","11377","11386","10.1021/ic300918c","","","0.71073","MoKα","","0.0964","0.0675","","","0.2007","0.2292","","","","","","1.078","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330795","11.833","0.002","12.133","0.002","12.696","0.003","104.541","0.004","91.386","0.004","95.173","0.003","1755.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H68 N4 O22 Yb4 -","- C56 H64 N4 O22 Yb4 -","- C56 H64 N4 O22 Yb4 -","1","0.5","","Weixu Feng; Yao Zhang; Zhao Zhang; Xingqiang Lü; Han Liu; Guoxiang Shi; Dan Zou; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones","Anion-Induced Self-Assembly of Luminescent and Magnetic Homoleptic Cyclic Tetranuclear Ln4(Salen)4 and Ln4(Salen)2 Complexes (Ln = Nd, Yb, Er, or Gd)","Inorganic Chemistry","2012","51","","11377","11386","10.1021/ic300918c","","","0.71073","MoKα","","0.1224","0.0766","","","0.2116","0.2523","","","","","","1.031","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330796","11.824","0.003","12.126","0.003","12.717","0.003","104.693","0.005","91.462","0.005","95.205","0.005","1754.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H68 Er4 N4 O22 -","- C56 H66 Er4 N4 O22 -","- C56 H66 Er4 N4 O22 -","1","0.5","","Weixu Feng; Yao Zhang; Zhao Zhang; Xingqiang Lü; Han Liu; Guoxiang Shi; Dan Zou; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones","Anion-Induced Self-Assembly of Luminescent and Magnetic Homoleptic Cyclic Tetranuclear Ln4(Salen)4 and Ln4(Salen)2 Complexes (Ln = Nd, Yb, Er, or Gd)","Inorganic Chemistry","2012","51","","11377","11386","10.1021/ic300918c","","","0.71073","MoKα","","0.1414","0.0832","","","0.2157","0.2638","","","","","","1.023","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330797","14.385","0.003","21.304","0.004","29.448","0.006","90","","99.19","0.03","90","","8909","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H67 F12 N9 O6 P2 Ru -","- C79 H67 F12 N9 O6 P2 Ru -","- C316 H268 F48 N36 O24 P8 Ru4 -","4","1","","You-Ming Zhang; Si-Hai Wu; Chang-Jiang Yao; Hai-Jing Nie; Yu-Wu Zhong","A Bis(terpyridine)ruthenium Complex with Three Redox-Active Amine Sites: Electrochemical, Optical, and Computational Studies","Inorganic Chemistry","2012","51","","11387","11395","10.1021/ic301004e","","","0.71073","MoKα","","0.1434","0.0984","","","0.2645","0.2987","","","","","","1.026","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330798","9.929","0.001","9.929","0.001","9.929","0.001","90","","90","","90","","978.85","0.17","298","","298","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.53 Si30 Te6.47 -","- P16 Se1.532 Si30 Te6.468 -","- P16 Se1.532 Si30 Te6.468 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0412","0.0325","","","0.0696","0.0725","","","","","","1.219","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330799","9.938","0.001","9.938","0.001","9.938","0.001","90","","90","","90","","981.52","0.17","298","","298","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.26 Si30 Te6.74 -","- P22 Se1.262 Si24 Te6.738 -","- P22 Se1.262 Si24 Te6.738 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0345","0.0295","","","0.0473","0.0486","","","","","","1.105","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4330800","9.9411","0.0006","9.9411","0.0006","9.9411","0.0006","90","","90","","90","","982.43","0.1","298","","298","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.06 Si30 Te6.94 -","- P16 Se1.06 Si30 Te6.94 -","- P16 Se1.06 Si30 Te6.94 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0222","0.0214","","","0.0401","0.0403","","","","","","1.29","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330801","9.9585","0.0011","9.9585","0.0011","9.9585","0.0011","90","","90","","90","","987.6","0.19","90","","90","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.23 Si30 Te6.77 -","- P16 Se1.234 Si30 Te6.766 -","- P16 Se1.234 Si30 Te6.766 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0136","0.013","","","0.0328","0.0349","","","","","","1.282","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330802","9.9692","0.0011","9.9692","0.0011","9.9692","0.0011","90","","90","","90","","990.79","0.19","118","","118","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.23 Si30 Te6.77 -","- P16 Se1.23 Si30 Te6.77 -","- P16 Se1.23 Si30 Te6.77 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0143","0.0138","","","0.0341","0.0363","","","","","","1.301","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330803","9.9577","0.0011","9.9577","0.0011","9.9577","0.0011","90","","90","","90","","987.36","0.19","143","","143","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.25 Si30 Te6.75 -","- P16 Se1.256 Si30 Te6.746 -","- P16 Se1.256 Si30 Te6.746 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0134","0.0128","","","0.0337","0.0362","","","","","","1.335","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330804","9.9583","0.0011","9.9583","0.0011","9.9583","0.0011","90","","90","","90","","987.54","0.19","168","","168","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.25 Si30 Te6.75 -","- P16 Se1.254 Si30 Te6.746 -","- P16 Se1.254 Si30 Te6.746 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0147","0.0142","","","0.0345","0.0366","","","","","","1.32","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330805","9.9547","0.0011","9.9547","0.0011","9.9547","0.0011","90","","90","","90","","986.47","0.19","193","","193","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.27 Si30 Te6.73 -","- P16 Se1.274 Si30 Te6.726 -","- P16 Se1.274 Si30 Te6.726 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0138","0.0132","","","0.034","0.0371","","","","","","1.307","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330806","9.9603","0.0011","9.9603","0.0011","9.9603","0.0011","90","","90","","90","","988.14","0.19","218","","218","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.26 Si30 Te6.74 -","- P16 Se1.262 Si30 Te6.738 -","- P16 Se1.262 Si30 Te6.738 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0136","0.013","","","0.0345","0.038","","","","","","1.296","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330807","9.9728","0.0011","9.9728","0.0011","9.9728","0.0011","90","","90","","90","","991.86","0.19","243","","243","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.24 Si30 Te6.76 -","- P16 Se1.244 Si30 Te6.756 -","- P16 Se1.244 Si30 Te6.756 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0139","0.0134","","","0.0341","0.0368","","","","","","1.278","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330808","9.9553","0.0011","9.9553","0.0011","9.9553","0.0011","90","","90","","90","","986.65","0.19","293","2","293","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- P16 Se1.22 Si30 Te6.78 -","- P16 Se1.226 Si30 Te6.774 -","- P16 Se1.226 Si30 Te6.774 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.014","0.014","","","0.0361","0.0361","","","","","","1.304","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330809","9.9863","0.0004","9.9863","0.0004","9.9863","0.0004","90","","90","","90","","995.9","0.07","298","","298","","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Br1.52 P13.54 Si32.46 Te6.01 -","- Br1.454 P20 Si26 Te6.04 -","- Br1.454 P20 Si26 Te6.04 -","1","0.0416667","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0309","0.0306","","","0.0833","0.0834","","","","","","1.461","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330810","10.034","0.0004","10.034","0.0004","10.034","0.0004","90","","90","","90","","1010.23","0.07","298","","298","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Br5.01 P9.61 Si36.39 Te2.3 -","- Br5.02 P16 Si30 Te2.286 -","- Br5.02 P16 Si30 Te2.286 -","1","0.0208333","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0232","0.0232","","","0.0614","0.0614","","","","","","1.618","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330811","4.3522","0.0015","4.3522","0.0015","26.201","0.008","90","","90","","90","","496.3","0.3","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe4.03 La2 Sb4.94 -","- Fe4.036 La2 Sb4.94 -","- Fe8.072 La4 Sb9.88 -","2","0.0625","","W. Adam Phelan; Giang V. Nguyen; Jiakui K. Wang; Gregory T. McCandless; Emilia Morosan; John F. DiTusa; Julia Y. Chan","Discovery of Spin Glass Behavior in Ln2Fe4Sb5 (Ln = La-Nd and Sm)","Inorganic Chemistry","2012","51","","11412","11421","10.1021/ic301030f","","","0.71073","MoKα","","0.0491","0.0457","","","0.1183","0.121","","","","","","1.139","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330812","4.3237","0.0015","4.3237","0.0015","25.998","0.002","90","","90","","90","","486","0.2","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ce2 Fe3.98 Sb4.93 -","- Ce2 Fe3.976 Sb4.924 -","- Ce4 Fe7.952 Sb9.848 -","2","0.0625","","W. Adam Phelan; Giang V. Nguyen; Jiakui K. Wang; Gregory T. McCandless; Emilia Morosan; John F. DiTusa; Julia Y. Chan","Discovery of Spin Glass Behavior in Ln2Fe4Sb5 (Ln = La-Nd and Sm)","Inorganic Chemistry","2012","51","","11412","11421","10.1021/ic301030f","","","0.71073","MoKα","","0.0455","0.0376","","","0.0981","0.1037","","","","","","1.159","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330813","4.3133","0.0015","4.3133","0.0015","25.976","0.015","90","","90","","90","","483.3","0.4","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe4.02 Pr2 Sb4.93 -","- Fe4.02 Pr2 Sb4.928 -","- Fe8.04 Pr4 Sb9.856 -","2","0.0625","","W. Adam Phelan; Giang V. Nguyen; Jiakui K. Wang; Gregory T. McCandless; Emilia Morosan; John F. DiTusa; Julia Y. Chan","Discovery of Spin Glass Behavior in Ln2Fe4Sb5 (Ln = La-Nd and Sm)","Inorganic Chemistry","2012","51","","11412","11421","10.1021/ic301030f","","","0.71073","MoKα","","0.051","0.0488","","","0.1476","0.1494","","","","","","1.152","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330814","4.3051","0.0015","4.3051","0.0015","25.908","0.0015","90","","90","","90","","480.2","0.2","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe3.96 Nd2 Sb4.91 -","- Fe3.956 Nd2 Sb4.912 -","- Fe7.912 Nd4 Sb9.824 -","2","0.0625","","W. Adam Phelan; Giang V. Nguyen; Jiakui K. Wang; Gregory T. McCandless; Emilia Morosan; John F. DiTusa; Julia Y. Chan","Discovery of Spin Glass Behavior in Ln2Fe4Sb5 (Ln = La-Nd and Sm)","Inorganic Chemistry","2012","51","","11412","11421","10.1021/ic301030f","","","0.71073","MoKα","","0.045","0.0437","","","0.1167","0.1177","","","","","","1.211","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330815","4.2723","0.0015","4.2723","0.0015","25.558","0.009","90","","90","","90","","466.5","0.3","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe3.95 Sb4.93 Sm2 -","- Fe3.948 Sb4.922 Sm2 -","- Fe7.896 Sb9.844 Sm4 -","2","0.0625","","W. Adam Phelan; Giang V. Nguyen; Jiakui K. Wang; Gregory T. McCandless; Emilia Morosan; John F. DiTusa; Julia Y. Chan","Discovery of Spin Glass Behavior in Ln2Fe4Sb5 (Ln = La-Nd and Sm)","Inorganic Chemistry","2012","51","","11412","11421","10.1021/ic301030f","","","0.71073","MoKα","","0.0427","0.0399","","","0.1083","0.1108","","","","","","1.197","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330816","13.143","0.013","20.458","0.019","16.727","0.016","90","","103.039","0.012","90","","4382","7","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H39 N13 O29 Rh26 -","- C55 H39 N13 O29 Rh26 -","- C110 H78 N26 O58 Rh52 -","2","0.5","","Dmitriy S. Dolzhnikov; Maria C. Iapalucci; Giuliano Longoni; Cristina Tiozzo; Stefano Zacchini; Cristina Femoni","New High-Nuclearity Carbonyl and Carbonyl-Substituted Rhodium Clusters and Their Relationships with Polyicosahedral Carbonyl-Substituted Palladium- and Gold-Thiolates","Inorganic Chemistry","2012","51","","11214","11216","10.1021/ic3011508","","","0.71073","MoKα","","0.1593","0.1001","","","0.3053","0.3546","","","","","","1.105","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330817","15.3097","0.0016","27.097","0.003","33.126","0.003","90","","91.073","0.001","90","","13740","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H118 N5 O50 Rh33 -","- C96 H118 N5 O50 Rh33 -","- C384 H472 N20 O200 Rh132 -","4","1","","Dmitriy S. Dolzhnikov; Maria C. Iapalucci; Giuliano Longoni; Cristina Tiozzo; Stefano Zacchini; Cristina Femoni","New High-Nuclearity Carbonyl and Carbonyl-Substituted Rhodium Clusters and Their Relationships with Polyicosahedral Carbonyl-Substituted Palladium- and Gold-Thiolates","Inorganic Chemistry","2012","51","","11214","11216","10.1021/ic3011508","","","0.71073","MoKα","","0.2425","0.0823","","","0.1715","0.2574","","","","","","0.973","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330818","18.6688","0.0011","17.9109","0.001","9.4926","0.0006","90","","90","","90","","3174.1","0.3","273","2","273","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C2 H9.5 Ag0.25 O14.25 P2 U1.5 -","- C2 H4 Ag0.25 O14.25 P2 U1.5 -","- C16 H32 Ag2 O114 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0529","0.0486","","","0.1399","0.1438","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330819","7.1749","0.0004","11.4055","0.0006","27.2222","0.0015","90","","96.681","0.001","90","","2212.6","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O11 P2 U -","- C17 H18 N2 O11 P2 U -","- C68 H72 N8 O44 P8 U4 -","4","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0514","0.0401","","","0.1018","0.1157","","","","","","1.3","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330820","13.1907","0.0019","12.2801","0.0018","26.322","0.004","90","","90","","90","","4263.7","1.1","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O10 P2 U -","- C17 H18 N2 O10 P2 U -","- C136 H144 N16 O80 P16 U8 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0629","0.0378","","","0.0877","0.1096","","","","","","1.076","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330821","13.33","0.005","12.346","0.005","18.183","0.007","90","","90","","90","","2992","2","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H11 N2 O10 P2 U -","- C8 H11 N2 O10 P2 U -","- C64 H88 N16 O80 P16 U8 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0369","0.0283","","","0.0656","0.0703","","","","","","1.004","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330822","9.556","0.002","9.681","0.002","13.75","0.003","72.899","0.004","71.041","0.004","89.75","0.003","1144","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 O24 P4 U2 -","- C4 H12 O24 P4 U2 -","- C8 H24 O48 P8 U4 -","2","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0545","0.0478","","","0.1237","0.1268","","","","","","1.122","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330823","9.6164","0.001","18.5742","0.0019","18.0889","0.0019","90","","91.28","0.002","90","","3230.2","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N2 O26 P4 U3 -","- C14 H18 N2 O26 P4 U3 -","- C56 H72 N8 O104 P16 U12 -","4","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0958","0.0567","","","0.1275","0.1445","","","","","","1.046","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330824","18.5715","0.0014","17.9278","0.0013","9.5221","0.0007","90","","90","","90","","3170.3","0.4","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C2 H9 O13.5 P2 U1.5 -","- C2 H4 O13.5 P2 U1.5 -","- C16 H32 O108 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0372","0.0339","","","0.0977","0.107","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330825","18.5849","0.0015","17.9529","0.0014","9.5115","0.0007","90","","90","","90","","3173.5","0.4","273","2","273","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C2 H6 Na O12.5 P2 U1.5 -","- C2 H4 Na O12.5 P2 U1.5 -","- C16 H32 Na8 O100 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0407","0.0362","","","0.0989","0.1018","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330826","18.4365","0.0011","17.9175","0.001","9.5296","0.0006","90","","90","","90","","3148","0.3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C2 H7.66 K0.48 O13.33 P2 U1.5 -","- C2 H4 K0.48 O14.04 P2 U1.5 -","- C16 H32 K3.84 O112.32 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.039","0.0349","","","0.0937","0.0962","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330827","18.663","0.0013","17.8829","0.0012","9.533","0.0007","90","","90","","90","","3181.6","0.4","273","2","273","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C2 H7.45 Cs0.14 O13.23 P2 U1.5 -","- C2 H4 Cs0.137 O13.225 P2 U1.5 -","- C16 H32 Cs1.096 O105.8 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0442","0.039","","","0.1061","0.1167","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330828","7.6382","0.0012","8.4834","0.0013","9.1417","0.0014","101.766","0.003","95.984","0.003","107.083","0.002","545.74","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Barium (amino-tris(methylenephosphonate))","","- C3 H10 Ba N O9 P3 -","- C3 H10 Ba N O9 P3 -","- C6 H20 Ba2 N2 O18 P6 -","2","1","","Johannes Weber; Gisbert Grossmann; Konstantinos D. Demadis; Nikos Daskalakis; Erica Brendler; Martin Mangstl; Jörn Schmedt auf der Günne","Linking 31P Magnetic Shielding Tensors to Crystal Structures: Experimental and Theoretical Studies on Metal(II) Aminotris(methylenephosphonates)","Inorganic Chemistry","2012","51","","11466","11477","10.1021/ic301192y","","","0.71073","MoKα","","0.0298","0.0263","","","0.0668","0.0682","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330829","11.3382","0.0005","8.4555","0.0004","15.5254","0.0007","90","","90.655","0.001","90","","1488.33","0.12","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Calcium (amino-tris(methylenephosphonate)) hydrate(1/1/4.5)","","- C3 H19 Ca N O13.5 P3 -","- C3 H20 Ca N O14 P3 -","- C12 H80 Ca4 N4 O56 P12 -","4","1","","Johannes Weber; Gisbert Grossmann; Konstantinos D. Demadis; Nikos Daskalakis; Erica Brendler; Martin Mangstl; Jörn Schmedt auf der Günne","Linking 31P Magnetic Shielding Tensors to Crystal Structures: Experimental and Theoretical Studies on Metal(II) Aminotris(methylenephosphonates)","Inorganic Chemistry","2012","51","","11466","11477","10.1021/ic301192y","","","0.71073","MolybdenumKα","","0.036","0.035","","0.04","0.04","","","","","1.54","1.54","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330830","24.5784","0.0014","12.7449","0.0007","17.2856","0.0009","90","","117.123","0.0019","90","","4819.2","0.5","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Sr(OAc)2]_2CHCL3","","","- C40 H42 Cl6 N4 O14 Sr Zn2 -","- C40 H42 Cl6 N4 O14 Sr Zn2 -","- C160 H168 Cl24 N16 O56 Sr4 Zn8 -","4","0.5","","Shigehisa Akine; Toshio Tadokoro; Tatsuya Nabeshima","Oligometallic Template Strategy for Synthesis of a Macrocyclic Dimer-Type Octaoxime Ligand for Its Cooperative Complexation","Inorganic Chemistry","2012","51","","11478","11486","10.1021/ic3012525","","","0.71069","MoKα","","0.0464","0.0417","","","0.1165","0.1203","","","","","","1.057","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330831","13.6167","0.0008","14.4293","0.0008","14.9773","0.0008","64.5631","0.0014","68.8301","0.0016","84.4374","0.0018","2472.2","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn3(OAc)2(H2O)](CHCl3)(Et2O)","","","- C43 H53 Cl3 N4 O16 Zn3 -","- C43 H53 Cl3 N4 O16 Zn3 -","- C86 H106 Cl6 N8 O32 Zn6 -","2","1","","Shigehisa Akine; Toshio Tadokoro; Tatsuya Nabeshima","Oligometallic Template Strategy for Synthesis of a Macrocyclic Dimer-Type Octaoxime Ligand for Its Cooperative Complexation","Inorganic Chemistry","2012","51","","11478","11486","10.1021/ic3012525","","","0.71069","MoKα","","0.0863","0.0615","","","0.1462","0.169","","","","","","1.034","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330832","11.5253","0.0008","12.5958","0.0007","18.0527","0.001","98.3138","0.0015","100.962","0.0018","107.471","0.0019","2396.6","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2La(OAc)3(MeOH)]_2MeOH","","","- C43 H55 La N4 O19 Zn2 -","- C43 H55 La N4 O19 Zn2 -","- C86 H110 La2 N8 O38 Zn4 -","2","1","","Shigehisa Akine; Toshio Tadokoro; Tatsuya Nabeshima","Oligometallic Template Strategy for Synthesis of a Macrocyclic Dimer-Type Octaoxime Ligand for Its Cooperative Complexation","Inorganic Chemistry","2012","51","","11478","11486","10.1021/ic3012525","","","0.71069","MoKα","","0.0887","0.0528","","","0.106","0.1485","","","","","","1.092","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330833","12.335","0.0005","14.458","0.0005","14.8059","0.0006","61.571","0.001","64.4047","0.0014","73.0515","0.0013","2081.88","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2Ca(OAc)2](MeOH)","","","- C39 H44 Ca N4 O15 Zn2 -","- C39 H44 Ca N4 O15 Zn2 -","- C78 H88 Ca2 N8 O30 Zn4 -","2","1","","Shigehisa Akine; Toshio Tadokoro; Tatsuya Nabeshima","Oligometallic Template Strategy for Synthesis of a Macrocyclic Dimer-Type Octaoxime Ligand for Its Cooperative Complexation","Inorganic Chemistry","2012","51","","11478","11486","10.1021/ic3012525","","","0.71069","MoKα","","0.036","0.0283","","","0.0693","0.0744","","","","","","1.044","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330834","5.88982","0.00005","8.46873","0.00006","17.68254","0.00015","90","","90","","90","","881.993","0.012","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Li2.71 Mg2.29 O6 Os -","- Li2.711 Mg2.289 O6 Os -","- Li21.688 Mg18.312 O48 Os8 -","8","0.25","","Phuong-Hieu T. Nguyen; Farshid Ramezanipour; John E. Greedan; Lachlan M. D. Cranswick; Shahab Derakhshan","Synthesis, Crystal Structure, and Magnetic Properties of Li3Mg2OsO6, a Geometrically Frustrated Osmium(V) Oxide with an Ordered Rock Salt Structure: Comparison with Isostructural Li3Mg2RuO6","Inorganic Chemistry","2012","51","","11493","11499","10.1021/ic3013377","powder diffraction","x-ray","1.54059","","","","","","","","","0.04363","","1.49","","","","","","","has coordinates,has Fobs","179411","2020-10-21","18:00:00",""
"4330835","12.18","0.004","13.639","0.005","15.188","0.005","103.061","0.003","95.26","0.003","109.54","0.004","2277.5","1.4","173.1","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C114 H112 Fe2 O2 S2 -","- C114 H80 Fe2 O2 S2 -","- C114 H80 Fe2 O2 S2 -","1","0.5","","Shun Ohta; Yasuhiro Ohki; Takayoshi Hashimoto; Roger E. Cramer; Kazuyuki Tatsumi","A Nitrogenase Cluster Model [Fe8S6O] with an Oxygen Unsymmetrically Bridging Two Proto-Fe4S3 Cubes: Relevancy to the Substrate Binding Mode of the FeMo Cofactor","Inorganic Chemistry","2012","51","","11217","11219","10.1021/ic301348f","","","0.7107","MoKα","","","0.0514","","","","0.1555","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330836","24.185","0.004","24.185","0.004","21.599","0.004","90","","90","","90","","12634","4","173","","173","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C137 H141 Fe8 O2.45 S10 -","- C133.824 H100 Fe8 O2.4452 S10 -","- C535.296 H400 Fe32 O9.7808 S40 -","4","0.25","","Shun Ohta; Yasuhiro Ohki; Takayoshi Hashimoto; Roger E. Cramer; Kazuyuki Tatsumi","A Nitrogenase Cluster Model [Fe8S6O] with an Oxygen Unsymmetrically Bridging Two Proto-Fe4S3 Cubes: Relevancy to the Substrate Binding Mode of the FeMo Cofactor","Inorganic Chemistry","2012","51","","11217","11219","10.1021/ic301348f","","","0.7107","MoKα","","","0.0727","","","","0.2187","","","","","","1.093","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330837","9.858","0.008","8.243","0.006","21.418","0.016","90","","96.994","0.009","90","","1727","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lanthanum(III) Octaborate Perchlorate","","","- B8 Cl La O21.5 -","- B8 Cl La O21.5 -","- B32 Cl4 La4 O86 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0473","0.0388","","","0.0898","0.093","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330838","9.8399","0.0015","8.2154","0.0013","21.378","0.003","90","","97.024","0.002","90","","1715.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cerium(III) Octaborate Perchlorate","","","- B8 Ce Cl O21.5 -","- B8 Ce Cl O21.5 -","- B32 Ce4 Cl4 O86 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0354","0.0293","","","0.0732","0.0763","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330839","9.8135","0.0006","8.2067","0.0006","21.3178","0.0014","90","","97.102","0.005","90","","1703.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Praseodymium(III) Octaborate Perchlorate","","","- B8 Cl O21.5 Pr -","- B8 Cl O21.5 Pr -","- B32 Cl4 O86 Pr4 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0847","0.0529","","","0.1117","0.1241","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330840","9.796","0.008","8.2","0.007","21.248","0.018","90","","97.171","0.011","90","","1693","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium(III) Octaborate Perchlorate","","","- B8 Cl Nd O21.5 -","- B8 Cl Nd O21.5 -","- B32 Cl4 Nd4 O86 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0549","0.039","","","0.0886","0.0947","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330841","9.791","0.003","8.205","0.002","21.227","0.006","90","","97.216","0.003","90","","1691.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Samarium(III) Octaborate Perchlorate","","","- B8 Cl O21.5 Sm -","- B8 Cl O21.5 Sm -","- B32 Cl4 O86 Sm4 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0618","0.0444","","","0.0989","0.1052","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330842","8.212","0.007","18.937","0.015","9.848","0.008","90","","90","","90","","1531","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cerium(III) Octaborate Perchlorate","","","- B8 Ce Cl O20 -","- B8 Ce Cl O20 -","- B32 Ce4 Cl4 O80 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0977","0.0549","","","0.1109","0.1234","","","","","","0.898","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330843","9.814","0.009","8.19","0.007","19.158","0.016","90","","102.366","0.019","90","","1504","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Praseodymium(III) Octaborate Perchlorate","","","- B8 Cl O20 Pr -","- B8 Cl O20 Pr -","- B32 Cl4 O80 Pr4 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.072","0.0591","","","0.1426","0.1503","","","","","","1.043","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330844","8.1236","0.0008","17.0348","0.0017","9.7954","0.001","90","","90.496","0.001","90","","1355.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium(III) Heptaborate Perchlorate","","","- B7 Cl Nd O18 -","- B7 Cl Nd O18 -","- B28 Cl4 Nd4 O72 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0496","0.0413","","","0.0966","0.0991","","","","","","1.256","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330845","8.099","0.002","17.009","0.004","9.771","0.003","90","","90.561","0.003","90","","1345.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Samarium(III) Heptaborate Perchlorate","","","- B7 Cl O18 Sm -","- B7 Cl O18 Sm -","- B28 Cl4 O72 Sm4 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.043","0.0294","","","0.0609","0.0656","","","","","","1.032","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330846","8.075","0.007","16.941","0.015","9.744","0.009","90","","90.516","0.012","90","","1333","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Europium(III) Heptaborate Perchlorate","","","- B7 Cl Eu O18 -","- B7 Cl Eu O18 -","- B28 Cl4 Eu4 O72 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0619","0.0402","","","0.0826","0.0907","","","","","","1.032","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330847","8.1495","0.0019","17.07","0.004","9.805","0.002","90","","90.507","0.003","90","","1363.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Praseodymium(III) Heptaborate Perchlorate","","","- B7 Cl O18 Pr -","- B7 Cl O18 Pr -","- B28 Cl4 O72 Pr4 -","4","1","","Matthew J. Polinski; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Effect of pH and Reaction Time on the Structures of Early Lanthanide(III) Borate Perchlorates","Inorganic Chemistry","2012","51","","11541","11548","10.1021/ic301421e","","","0.71073","MoKα","","0.0605","0.0539","","","0.1474","0.1494","","","","","","1.293","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330848","6.6763","0.0008","11.9806","0.0011","10.997","0.0014","90","","127.347","0.008","90","","699.27","0.16","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K P S4 Sn -","- K P S4 Sn -","- K4 P4 S16 Sn4 -","4","1","","Santanu Banerjee; Christos D. Malliakas; Mercouri G. Kanatzidis","New Layered Tin(II) Thiophosphates ASnPS4 (A = K, Rb, Cs): Synthesis, Structure, Glass Formation, and the Modulated CsSnPS4","Inorganic Chemistry","2012","51","","11562","11573","10.1021/ic301456m","","","0.71073","","","0.0215","0.0199","","","0.0478","0.0482","","","","","","1.094","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330849","14.6812","0.0002","46.9386","0.0004","15.7694","0.0002","90","","102.246","0.0007","90","","10619.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C147 Cu N10 O75 Si2 W20 -","- C147 Cu N10 O75 Si2 W20 -","- C294 Cu2 N20 O150 Si4 W40 -","2","0.5","","Kosuke Suzuki; Masahiro Shinoe; Noritaka Mizuno","Synthesis and Reversible Transformation of Cun-Bridged (n= 1, 2, or 4) Silicodecatungstate Dimers","Inorganic Chemistry","2012","51","","11574","11581","10.1021/ic301488a","","","0.71069","MoKα","","0.0851","0.077","","","0.16","0.1638","","","","","","1.218","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330850","18.1007","0.0002","26.6281","0.0003","22.7005","0.0003","90","","89.971","0.001","90","","10941.4","0.2","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H0 Cu2 N6 O73 Si2 W20 -","- C96 Cu2 N6 O73 Si2 W20 -","- C192 Cu4 N12 O146 Si4 W40 -","2","1","","Kosuke Suzuki; Masahiro Shinoe; Noritaka Mizuno","Synthesis and Reversible Transformation of Cun-Bridged (n= 1, 2, or 4) Silicodecatungstate Dimers","Inorganic Chemistry","2012","51","","11574","11581","10.1021/ic301488a","","","0.71069","MoKα","","0.1012","0.0707","","","0.1822","0.2077","","","","","","1.103","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330851","18.7374","0.0002","33.6813","0.0004","19.222","0.0003","90","","109.116","0.001","90","","11462.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C144 Cu4 N14 O76 Si2 W20 -","- C144 Cu4 N14 O76 Si2 W20 -","- C288 Cu8 N28 O152 Si4 W40 -","2","0.5","","Kosuke Suzuki; Masahiro Shinoe; Noritaka Mizuno","Synthesis and Reversible Transformation of Cun-Bridged (n= 1, 2, or 4) Silicodecatungstate Dimers","Inorganic Chemistry","2012","51","","11574","11581","10.1021/ic301488a","","","0.71069","MoKα","","0.1336","0.0904","","","0.2078","0.2379","","","","","","1.124","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330852","5.0967","0.0003","19.7672","0.0011","9.0423","0.0007","90","","103.089","0.006","90","","887.32","0.1","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","trans-Difluoro-tetrakis(aqua)-aluminium bis(pyridinium) trichloride","","- C10 H20 Al Cl3 F2 N2 O4 -","- C10 H20 Al Cl3 F2 N2 O4 -","- C20 H40 Al2 Cl6 F4 N4 O8 -","2","0.5","","Anton Dimitrov; Detlef Heidemann; Khalaf I. Khallow; Erhard Kemnitz","Syntheses and Characterization of Salts with the [Al(D)4F2]+ Cation (D = Pyridine or Water)","Inorganic Chemistry","2012","51","","11612","11622","10.1021/ic301502u","","","0.71073","MoKα","","0.0507","0.0388","","","0.0774","0.081","","","","","","1.085","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330853","14.8509","0.0005","11.8375","0.0004","12.9196","0.0004","90","","118.869","0.002","90","","1988.98","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trans-Difluoro-tetrakis(pyridine)-aluminium bromide","","","- C20 H20 Al Br F2 N4 -","- C20 H20 Al Br F2 N4 -","- C80 H80 Al4 Br4 F8 N16 -","4","0.5","","Anton Dimitrov; Detlef Heidemann; Khalaf I. Khallow; Erhard Kemnitz","Syntheses and Characterization of Salts with the [Al(D)4F2]+ Cation (D = Pyridine or Water)","Inorganic Chemistry","2012","51","","11612","11622","10.1021/ic301502u","","","0.71073","MoKα","","0.0401","0.0322","","","0.064","0.066","","","","","","1.081","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330854","15.1899","0.0016","12.2837","0.0014","13.0435","0.0014","90","","119.816","0.007","90","","2111.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trans-Difluoro-tetrakis(pyridine)-aluminium iodide","","","- C20 H20 Al F2 I N4 -","- C20 H20 Al F2 I N4 -","- C80 H80 Al4 F8 I4 N16 -","4","0.5","","Anton Dimitrov; Detlef Heidemann; Khalaf I. Khallow; Erhard Kemnitz","Syntheses and Characterization of Salts with the [Al(D)4F2]+ Cation (D = Pyridine or Water)","Inorganic Chemistry","2012","51","","11612","11622","10.1021/ic301502u","","","0.71073","MoKα","","0.0646","0.0549","","","0.1096","0.1134","","","","","","1.216","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330855","9.3388","0.0002","23.5193","0.0007","13.2184","0.0003","90","","90.124","0.002","90","","2903.31","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 Al2 Br7 N11 -","- C55 H56 Al2 Br7 N11 -","- C110 H112 Al4 Br14 N22 -","2","0.5","","Anton Dimitrov; Detlef Heidemann; Khalaf I. Khallow; Erhard Kemnitz","Syntheses and Characterization of Salts with the [Al(D)4F2]+ Cation (D = Pyridine or Water)","Inorganic Chemistry","2012","51","","11612","11622","10.1021/ic301502u","","","0.71073","MoKα","","0.0829","0.0758","","","0.1813","0.1852","","","","","","1.182","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330856","8.8544","0.0004","10.7325","0.0005","14.052","0.0006","94.743","0.004","91.093","0.004","110.391","0.004","1245.76","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H70 Li4 N4 O3 P2 S6 -","- C38 H70 Li4 N4 O3 P2 S6 -","- C38 H70 Li4 N4 O3 P2 S6 -","1","0.5","","Robert P. Davies; Laura Patel; Andrew J. P. White","Preparations of Metal Trichalcogenophosphonates from Organophosphonate Esters","Inorganic Chemistry","2012","51","","11594","11601","10.1021/ic301504p","","","0.71073","MoKα","","0.0544","0.0388","","","0.1025","0.1062","","","","","","1.08","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330857","10.8127","0.0008","12.1431","0.0006","13.4353","0.0007","88.9","0.004","84.026","0.005","88.591","0.005","1753.69","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Li2 O4 P2 S4 -","- C30 H46 Li2 O4 P2 S4 -","- C60 H92 Li4 O8 P4 S8 -","2","1","","Robert P. Davies; Laura Patel; Andrew J. P. White","Preparations of Metal Trichalcogenophosphonates from Organophosphonate Esters","Inorganic Chemistry","2012","51","","11594","11601","10.1021/ic301504p","","","0.71073","MoKα","","0.1209","0.0666","","","0.1731","0.1942","","","","","","1.068","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330858","10.5462","0.0005","10.7732","0.0005","10.9125","0.0006","117.717","0.005","105.696","0.005","95.638","0.004","1019.47","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H62 Li4 N6 P2 S6 -","- C24 H62 Li4 N6 P2 S6 -","- C24 H62 Li4 N6 P2 S6 -","1","0.5","","Robert P. Davies; Laura Patel; Andrew J. P. White","Preparations of Metal Trichalcogenophosphonates from Organophosphonate Esters","Inorganic Chemistry","2012","51","","11594","11601","10.1021/ic301504p","","","0.71073","MoKα","","0.0496","0.0345","","","0.0798","0.0827","","","","","","0.98","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330859","10.0755","0.0003","18.8928","0.0004","12.4849","0.0004","90","","109.942","0.003","90","","2234.05","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 Mg2 N4 O2 P2 S6 -","- C34 H62 Mg2 N4 O2 P2 S6 -","- C68 H124 Mg4 N8 O4 P4 S12 -","2","0.5","","Robert P. Davies; Laura Patel; Andrew J. P. White","Preparations of Metal Trichalcogenophosphonates from Organophosphonate Esters","Inorganic Chemistry","2012","51","","11594","11601","10.1021/ic301504p","","","1.54184","CuKα","","0.0459","0.0383","","","0.1011","0.1056","","","","","","1.053","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330860","10.1998","0.0003","10.281","0.0004","10.4612","0.0004","68.813","0.004","76.831","0.003","86.348","0.003","995.74","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H50 Cl4 Mg2 N4 P2 Se6 -","- C20 H50 Cl4 Mg2 N4 P2 Se6 -","- C20 H50 Cl4 Mg2 N4 P2 Se6 -","1","0.5","","Robert P. Davies; Laura Patel; Andrew J. P. White","Preparations of Metal Trichalcogenophosphonates from Organophosphonate Esters","Inorganic Chemistry","2012","51","","11594","11601","10.1021/ic301504p","","","0.71073","MoKα","","0.0425","0.025","","","0.0477","0.0488","","","","","","0.879","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330861","6.3425","0.0002","15.9402","0.0005","9.1176","0.0003","90","","103.213","0.003","90","","897.39","0.05","123","1","123","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Cl3 Ga N -","- C5 H5 Cl3 Ga N -","- C20 H20 Cl12 Ga4 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","1.54186","CuKα","","0.0299","0.027","","","0.0702","0.0725","","","","","","1.051","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330862","6.6618","0.0002","16.1465","0.0004","9.4029","0.0003","90","","102.686","0.003","90","","986.73","0.05","123","1","123","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Br3 Ga N -","- C5 H5 Br3 Ga N -","- C20 H20 Br12 Ga4 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","1.54178","CuKα","","0.0247","0.0227","","","0.0596","0.0607","","","","","","1.09","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330863","7.1845","0.0003","8.8973","0.0007","9.8475","0.0005","75.395","0.006","79.454","0.004","68.405","0.006","563.53","0.06","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C5 H5 Ga I3 N -","- C5 H5 Ga I3 N -","- C10 H10 Ga2 I6 N2 -","2","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0406","0.0316","","","0.0658","0.0714","","","","","","1.043","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330864","23.8452","0.0006","8.5232","0.0002","22.3451","0.0005","90","","90.067","0.002","90","","4541.36","0.19","123","1","123","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ga4 I12 N4 -","- C20 H20 Ga4 I12 N4 -","- C80 H80 Ga16 I48 N16 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0829","0.068","","","0.166","0.1761","","","","","","1.035","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330865","6.6198","0.0003","8.4213","0.0004","9.3591","0.0004","85.322","0.004","81.826","0.004","79.284","0.004","506.62","0.04","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C5 H11 Cl3 Ga N -","- C5 H11 Cl3 Ga N -","- C10 H22 Cl6 Ga2 N2 -","2","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.029","0.0243","","","0.0592","0.0602","","","","","","1.018","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330866","13.4888","0.0002","7.3348","0.0001","12.1051","0.0002","90","","90","","90","","1197.65","0.03","123","1","123","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Cl3 N -","- C6 H15 Al Cl3 N -","- C24 H60 Al4 Cl12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","1.54178","CuKα","","0.0222","0.0221","","","0.058","0.0583","","","","","","1.08","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330867","13.4888","0.0002","7.3348","0.0001","12.1051","0.0002","90","","90","","90","","1197.65","0.03","123","1","123","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","1.54178","CuKα","","0.0276","0.0272","","","0.0635","0.0637","","","","","","1.119","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330868","9.448","0.005","10.079","0.005","10.315","0.005","105.49","0.005","92.127","0.005","95.719","0.005","939.8","0.8","123","1","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C18 H15 Al Cl3 P -","- C18 H15 Al Cl3 P -","- C36 H30 Al2 Cl6 P2 -","2","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0338","0.0317","","","0.0839","0.0858","","","","","","1.048","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330869","6.6643","0.0001","16.1144","0.0003","9.3934","0.0002","90","","102.537","0.002","90","","984.72","0.03","123","1","123","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Al Br3 N -","- C5 H5 Al Br3 N -","- C20 H20 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","1.54178","CuKα","","0.0273","0.0233","","","0.0527","0.0549","","","","","","1.032","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330870","13.4428","0.0008","7.3325","0.0003","12.0808","0.0006","90","","90","","90","","1190.8","0.1","100","1","100","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0357","0.0314","","","0.0506","0.0572","","","","","","1.03","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330871","13.4728","0.0007","7.3315","0.0003","12.0931","0.0005","90","","90","","90","","1194.51","0.09","123","1","123","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0377","0.0328","","","0.0528","0.0565","","","","","","0.994","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330872","13.4804","0.0008","7.318","0.0003","12.0869","0.0006","90","","90","","90","","1192.37","0.1","153","1","153","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0474","0.0402","","","0.0828","0.089","","","","","","1.085","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330873","13.5724","0.0007","7.3292","0.0003","12.1407","0.0005","90","","90","","90","","1207.69","0.09","203","1","203","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0576","0.0429","","","0.0815","0.0898","","","","","","1.032","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330874","13.6452","0.0009","7.3395","0.0003","12.1837","0.0006","90","","90","","90","","1220.18","0.11","253","1","253","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0717","0.0404","","","0.0552","0.0652","","","","","","1.009","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330875","11.235","0.002","13.727","0.003","17.366","0.004","68.096","0.007","79.188","0.007","66.159","0.007","2270.7","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H54.8 N9 O4.9 -","- C37 H45 N9 O1.4 -","- C74 H90 N18 O2.8 -","2","1","","Tapas Guchhait; Ganesan Mani; Carola Schulzke; Anakuthil Anoop","A Tripyrrolylmethane-Based Macrobicyclic Triazacryptand: X-ray Structure, Size-Selective Anion Binding, and Fluoride-Ion-Mediated Proton-Deuterium Exchange Studies","Inorganic Chemistry","2012","51","","11635","11644","10.1021/ic301546v","","","0.71073","MoKα","","0.1326","0.0627","","","0.165","0.1896","","","","","","0.909","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330876","13.2318","0.0016","17.875","0.002","23.693","0.003","90","","106.13","0.004","90","","5383.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H85 F N10 O2 -","- C53 H85 F N10 O2 -","- C212 H340 F4 N40 O8 -","4","1","","Tapas Guchhait; Ganesan Mani; Carola Schulzke; Anakuthil Anoop","A Tripyrrolylmethane-Based Macrobicyclic Triazacryptand: X-ray Structure, Size-Selective Anion Binding, and Fluoride-Ion-Mediated Proton-Deuterium Exchange Studies","Inorganic Chemistry","2012","51","","11635","11644","10.1021/ic301546v","","","0.71073","MoKα","","0.2233","0.0826","","","0.1415","0.1818","","","","","","1","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330877","10.863","0.002","10.632","0.002","35.653","0.007","90","","92.039","0.006","90","","4115.2","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H53.2 Cl3 N9 O2.6 -","- C37 H48 Cl3 N9 -","- C148 H192 Cl12 N36 -","4","1","","Tapas Guchhait; Ganesan Mani; Carola Schulzke; Anakuthil Anoop","A Tripyrrolylmethane-Based Macrobicyclic Triazacryptand: X-ray Structure, Size-Selective Anion Binding, and Fluoride-Ion-Mediated Proton-Deuterium Exchange Studies","Inorganic Chemistry","2012","51","","11635","11644","10.1021/ic301546v","","","0.71073","MoKα","","0.11","0.0624","","","0.1388","0.1553","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330878","10.9136","0.0017","10.833","0.0017","35.836","0.006","90","","90.688","0.006","90","","4236.5","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 Br3 N9 O3 -","- C37 H48 Br3 N9 -","- C148 H192 Br12 N36 -","4","1","","Tapas Guchhait; Ganesan Mani; Carola Schulzke; Anakuthil Anoop","A Tripyrrolylmethane-Based Macrobicyclic Triazacryptand: X-ray Structure, Size-Selective Anion Binding, and Fluoride-Ion-Mediated Proton-Deuterium Exchange Studies","Inorganic Chemistry","2012","51","","11635","11644","10.1021/ic301546v","","","0.71073","MoKα","","0.1069","0.0504","","","0.1039","0.1198","","","","","","0.928","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330879","11.53","0.005","13.106","0.007","7.787","0.004","90.238","0.011","109.523","0.011","89.239","0.01","1109","1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Br3 N O -","- C7 H10 Br3 N O -","- C28 H40 Br12 N4 O4 -","4","2","","Tetsuro Kusamoto; Hiroshi M. Yamamoto; Naoya Tajima; Yugo Oshima; Satoshi Yamashita; Reizo Kato","Bilayer Mott System Based on Ni(dmit)2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Anion Radicals: Two Isostructural Salts Exhibit Contrasting Magnetic Behavior","Inorganic Chemistry","2012","51","","11645","11654","10.1021/ic301552z","","","0.71073","MoKα","","","0.0378","","","","0.0891","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330880","7.56","0.002","38.912","0.015","6.516","0.002","94.527","0.009","112.33","0.008","85.678","0.01","1765.4","1","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H8 Br2 N Ni2 S20 -","- C19 H8 Br2 N Ni2 S20 -","- C38 H16 Br4 N2 Ni4 S40 -","2","1","","Tetsuro Kusamoto; Hiroshi M. Yamamoto; Naoya Tajima; Yugo Oshima; Satoshi Yamashita; Reizo Kato","Bilayer Mott System Based on Ni(dmit)2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Anion Radicals: Two Isostructural Salts Exhibit Contrasting Magnetic Behavior","Inorganic Chemistry","2012","51","","11645","11654","10.1021/ic301552z","","","0.71073","MoKα","","","0.0713","","","","0.1821","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330881","7.4236","0.0004","39.197","0.002","6.4439","0.0003","94.175","0.003","112.764","0.003","85.971","0.003","1722.61","0.16","93","2","93","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H8 Br I N Ni2 S20 -","- C19 H8 Br I N Ni2 S20 -","- C38 H16 Br2 I2 N2 Ni4 S40 -","2","1","","Tetsuro Kusamoto; Hiroshi M. Yamamoto; Naoya Tajima; Yugo Oshima; Satoshi Yamashita; Reizo Kato","Bilayer Mott System Based on Ni(dmit)2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Anion Radicals: Two Isostructural Salts Exhibit Contrasting Magnetic Behavior","Inorganic Chemistry","2012","51","","11645","11654","10.1021/ic301552z","","","0.71073","MoKα","","","0.0636","","","","0.1538","","","","","","1.201","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330882","12.036","0.011","20.1","0.018","7.826","0.007","90.293","0.008","101.977","0.014","104.356","0.006","1791","3","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H8 Br I N Ni2 S20 -","- C19 H8 Br I N Ni2 S20 -","- C38 H16 Br2 I2 N2 Ni4 S40 -","2","1","","Tetsuro Kusamoto; Hiroshi M. Yamamoto; Naoya Tajima; Yugo Oshima; Satoshi Yamashita; Reizo Kato","Bilayer Mott System Based on Ni(dmit)2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Anion Radicals: Two Isostructural Salts Exhibit Contrasting Magnetic Behavior","Inorganic Chemistry","2012","51","","11645","11654","10.1021/ic301552z","","","0.71073","MoKα","","","0.0576","","","","0.1465","","","","","","0.811","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330883","8.1679","0.0007","12.3058","0.0009","14.3251","0.0007","71.521","0.004","84.253","0.005","84.989","0.003","1356.39","0.17","173","1","173","1","","","","","","","","6","P -1","-P 1","2","Compound X","","","- C32.25 H17.5 Cl0.5 F5 N2 Pt -","- C32.25 H17.5 Cl0.5 F5 N2 Pt -","- C64.5 H35 Cl F10 N4 Pt2 -","2","1","","Jesús R. Berenguer; Elena Lalinde; M. Teresa Moreno; Sergio Sánchez; Javier Torroba","Facile Metalation of Hbzq by [cis-Pt(C6F5)2(thf)2]: A Route to a Pentafluorophenyl Benzoquinolate Solvate Complex That Easily Coordinates Terminal Alkynes. Spectroscopic and Optical Properties","Inorganic Chemistry","2012","51","","11665","11679","10.1021/ic301563u","","","0.71073","MoKα","","0.0476","0.0444","","","0.1151","0.1176","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330884","13.438","0.0008","14.339","0.0009","14.463","0.0009","108.519","0.003","91.022","0.004","93.348","0.003","2636.1","0.3","123","1","123","1","","","","","","","","8","P -1","-P 1","2","Compound X","","","- C64.5 H41 Cl5 F10 Fe2 N2 O Pt2 -","- C62 H34 F10 Fe2 N2 Pt2 -","- C124 H68 F20 Fe4 N4 Pt4 -","2","1","","Jesús R. Berenguer; Elena Lalinde; M. Teresa Moreno; Sergio Sánchez; Javier Torroba","Facile Metalation of Hbzq by [cis-Pt(C6F5)2(thf)2]: A Route to a Pentafluorophenyl Benzoquinolate Solvate Complex That Easily Coordinates Terminal Alkynes. Spectroscopic and Optical Properties","Inorganic Chemistry","2012","51","","11665","11679","10.1021/ic301563u","","","0.71073","MoKα","","0.0765","0.0511","","","0.1252","0.133","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330885","8.8717","0.0017","16.213","0.004","30.046","0.005","90","","90","","90","","4321.7","1.5","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(NEt4)2[MoO(S2C6H3CONH-t-Bu)2]","","- C38 H66 Mo N4 O3 S4 -","- C38 H66 Mo N4 O3 S4 -","- C152 H264 Mo4 N16 O12 S16 -","4","1","","Taka-aki Okamura; Miki Tatsumi; Yui Omi; Hitoshi Yamamoto; Kiyotaka Onitsuka","Selective and Effective Stabilization of MoVI=O Bonds by NH...S Hydrogen Bonds via Trans Influence","Inorganic Chemistry","2012","51","","11688","11697","10.1021/ic301597d","","","0.71075","MoKα","","0.0757","0.0693","","","0.1661","0.1696","","","","","","1.1","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330886","11.384","0.018","10.493","0.015","19.37","0.02","90","","93.75","0.05","90","","2309","5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-(t-BuCOS)2-3-t-BuNHCOC6H3","","- C21 H31 N O3 S2 -","- C21 H31 N O3 S2 -","- C84 H124 N4 O12 S8 -","4","1","","Taka-aki Okamura; Miki Tatsumi; Yui Omi; Hitoshi Yamamoto; Kiyotaka Onitsuka","Selective and Effective Stabilization of MoVI=O Bonds by NH...S Hydrogen Bonds via Trans Influence","Inorganic Chemistry","2012","51","","11688","11697","10.1021/ic301597d","","","0.71075","MoKα","","0.0651","0.0425","","","0.0907","0.0944","","","","","","0.986","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330887","10.6892","0.0001","10.6892","0.0001","55.4479","0.0008","90","","90","","120","","5486.64","0.11","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","Mn(II)(pytren) Br2","","","- C26 H52 Br4 Mn2 N10 O4 -","- C26 H52 Br4 Mn2 N10 O4 -","- C156 H312 Br24 Mn12 N60 O24 -","6","0.5","","Salvador Blasco; Joan Cano; M. Paz Clares; Santiago García-Granda; Antonio Doménech; Hermas R. Jiménez; Begoña Verdejo; Francesc Lloret; Enrique García-España","A Binuclear MnIII Complex of a Scorpiand-Like Ligand Displaying a Single Unsupported MnIII-O-MnIII Bridge","Inorganic Chemistry","2012","51","","11698","11706","10.1021/ic3016063","","","0.71073","MoKα","","0.0701","0.0469","","","0.1027","0.1083","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330888","11.7561","0.0005","13.3498","0.0006","13.6919","0.0006","87.584","0.002","86.103","0.002","87.405","0.002","2140.01","0.16","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H68 Cl Ge N4 O Rh -","- C42 H68 Cl Ge N4 O Rh -","- C84 H136 Cl2 Ge2 N8 O2 Rh2 -","2","1","","Dimitri Matioszek; Nathalie Saffon; Jean-Marc Sotiropoulos; Karinne Miqueu; Annie Castel; Jean Escudié","Bis(amidinato)germylenerhodium Complexes: Synthesis, Structure, and Density Functional Theory Calculations","Inorganic Chemistry","2012","51","","11716","11721","10.1021/ic3016194","","","0.71073","MoKα","","0.0307","0.0261","","","0.068","0.0709","","","","","","1.045","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330889","10.9112","0.0004","15.7314","0.0005","15.2579","0.0006","90","","92.178","0.002","90","","2617.1","0.16","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Cl2 Ge2 N4 O Rh2 Si4 -","- C42 H70 Cl2 Ge2 N4 O Rh2 Si4 -","- C84 H140 Cl4 Ge4 N8 O2 Rh4 Si8 -","2","0.5","","Dimitri Matioszek; Nathalie Saffon; Jean-Marc Sotiropoulos; Karinne Miqueu; Annie Castel; Jean Escudié","Bis(amidinato)germylenerhodium Complexes: Synthesis, Structure, and Density Functional Theory Calculations","Inorganic Chemistry","2012","51","","11716","11721","10.1021/ic3016194","","","0.71073","MoKα","","0.0733","0.0384","","","0.0789","0.0913","","","","","","1.01","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330890","6.6791","0.0002","9.7861","0.0004","34.6517","0.0013","90","","94.379","0.002","90","","2258.3","0.14","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H35 N2 Rh Si2 -","- C21 H35 N2 Rh Si2 -","- C84 H140 N8 Rh4 Si8 -","4","2","","Dimitri Matioszek; Nathalie Saffon; Jean-Marc Sotiropoulos; Karinne Miqueu; Annie Castel; Jean Escudié","Bis(amidinato)germylenerhodium Complexes: Synthesis, Structure, and Density Functional Theory Calculations","Inorganic Chemistry","2012","51","","11716","11721","10.1021/ic3016194","","","0.71073","MoKα","","0.0491","0.0382","","","0.0681","0.0715","","","","","","1.024","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330891","6.8114","0.0006","13.768","0.0013","11.0049","0.0009","90","","92.509","0.003","90","","1031.04","0.16","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H35 N2 Rh -","- C23 H35 N2 Rh -","- C46 H70 N4 Rh2 -","2","0.5","","Dimitri Matioszek; Nathalie Saffon; Jean-Marc Sotiropoulos; Karinne Miqueu; Annie Castel; Jean Escudié","Bis(amidinato)germylenerhodium Complexes: Synthesis, Structure, and Density Functional Theory Calculations","Inorganic Chemistry","2012","51","","11716","11721","10.1021/ic3016194","","","0.71073","MoKα","","0.0319","0.0273","","","0.0679","0.0709","","","","","","1.056","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330892","16.462","0.004","4.434","0.001","8.881","0.002","90","","108.609","0.012","90","","614.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","cesium copper dysprosium telluride","","","- Cs2 Cu3 Dy Te4 -","- Cs2 Cu3 Dy Te4 -","- Cs4 Cu6 Dy2 Te8 -","2","0.25","","Jean-Marie Babo; Eun Sang Choi; Thomas E. Albrecht-Schmitt","Synthesis, Structure, Magnetism, and Optical Properties of Cs2Cu3DyTe4","Inorganic Chemistry","2012","51","","11730","11735","10.1021/ic301649p","","","0.71073","MoKα","","0.0238","0.0223","","","0.0445","0.0452","","","","","","1.156","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330893","13.403","0.001","14.005","0.001","20.016","0.001","93.24","0.01","103.04","0.01","113.74","0.01","3304.5","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C82 Cl28.56 -","- C82 Cl28.559 -","- C164 Cl57.118 -","2","1","","Ilya N. Ioffe; Olga N. Mazaleva; Lev N. Sidorov; Shangfeng Yang; Tao Wei; Erhard Kemnitz; Sergey I. Troyanov","Skeletal Transformation of Isolated Pentagon Rule (IPR) Fullerene C82 into Non-IPR C82Cl28 with Notably Low Activation Barriers","Inorganic Chemistry","2012","51","","11226","11228","10.1021/ic301650j","","","0.8856","synchrotron","","0.0617","0.0553","","","0.1361","0.1397","","","","","","1.016","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330894","4.5137","0.0009","20.087","0.004","14.093","0.003","90","","90","","90","","1277.8","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Te5 Y -","- Ba2 In Te5 Y -","- Ba8 In4 Te20 Y4 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0334","0.0311","","","0.0568","0.0581","","","","","","0.835","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330895","7.7785","0.0003","9.2641","0.0004","10.075","0.0003","103.399","0.003","102.894","0.003","107.429","0.004","639.47","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Ga Sm Te5 -","- Ba2 Ga Sm Te5 -","- Ba4 Ga2 Sm2 Te10 -","2","1","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0387","0.0352","","","0.0943","0.0966","","","","","","1.263","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330896","7.7759","0.0007","9.2361","0.0006","10.0635","0.0008","103.347","0.006","102.887","0.008","107.406","0.005","636.96","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba2 Ga Gd Te5 -","- Ba2 Ga Gd Te5 -","- Ba4 Ga2 Gd2 Te10 -","2","1","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0471","0.0379","","","0.081","0.0875","","","","","","1.003","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330897","4.4638","0.0001","20.0925","0.0005","14.0899","0.0003","90","","90","","90","","1263.71","0.05","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Dy Ga Te5 -","- Ba2 Dy Ga Te5 -","- Ba8 Dy4 Ga4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0361","0.0328","","","0.0575","0.0591","","","","","","1.03","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330898","4.4404","0.0009","20.001","0.004","14.034","0.003","90","","90","","90","","1246.4","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Er Ga Te5 -","- Ba2 Er Ga Te5 -","- Ba8 Er4 Ga4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.027","0.0266","","","0.0633","0.0635","","","","","","1.289","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330899","4.4412","0.0009","20.035","0.004","14.053","0.003","90","","90","","90","","1250.4","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Ga Te5 Y -","- Ba2 Ga Te5 Y -","- Ba8 Ga4 Te20 Y4 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0355","0.035","","","0.0888","0.089","","","","","","1.421","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330900","4.5781","0.0009","20.292","0.004","14.079","0.003","90","","90","","90","","1307.9","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Ce In Te5 -","- Ba2 Ce In Te5 -","- Ba8 Ce4 In4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0405","0.0351","","","0.0615","0.0629","","","","","","1.053","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330901","4.5579","0.0009","20.194","0.004","14.104","0.003","90","","90","","90","","1298.2","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Nd Te5 -","- Ba2 In Nd Te5 -","- Ba8 In4 Nd4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0384","0.0356","","","0.0677","0.0687","","","","","","1.005","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330902","4.5349","0.0009","20.151","0.004","14.086","0.003","90","","90","","90","","1287.2","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Sm Te5 -","- Ba2 In Sm Te5 -","- Ba8 In4 Sm4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0319","0.0302","","","0.0618","0.0624","","","","","","0.876","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330903","4.5014","0.0009","20.064","0.004","14.078","0.003","90","","90","","90","","1271.5","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Gd In Te5 -","- Ba2 Gd In Te5 -","- Ba8 Gd4 In4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0344","0.0318","","","0.0689","0.0698","","","","","","1.062","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330904","4.5198","0.0009","20.065","0.004","14.089","0.003","90","","90","","90","","1277.7","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Dy In Te5 -","- Ba2 Dy In Te5 -","- Ba8 Dy4 In4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.032","0.0298","","","0.0596","0.0601","","","","","","0.999","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330905","4.4998","0.0009","20.07","0.004","14.079","0.003","90","","90","","90","","1271.5","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Er In Te5 -","- Ba2 Er In Te5 -","- Ba8 Er4 In4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.029","0.0275","","","0.0538","0.0541","","","","","","0.943","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330906","8.1285","0.0014","10.733","0.002","16.031","0.003","94.249","0.005","100.947","0.007","104.481","0.007","1318.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 O22 V6 -","- C44 H48 N8 O22 V6 -","- C44 H48 N8 O22 V6 -","1","0.5","","Manas Sutradhar; Marina V. Kirillova; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Armando J. L. Pombeiro","A Hexanuclear Mixed-Valence Oxovanadium(IV,V) Complex as a Highly Efficient Alkane Oxidation Catalyst","Inorganic Chemistry","2012","51","","11229","11231","10.1021/ic3017062","","","0.71069","MoKα","","0.2398","0.0788","","","0.1767","0.2659","","","","","","0.948","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330907","23.322","0.003","23.322","0.003","6.8385","0.0016","90","","90","","120","","3221.2","1","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Eu Ge Na1.515 S4 -","- Eu Ge Na1.52 S4 -","- Eu18 Ge18 Na27.36 S72 -","18","1","","Amitava Choudhury; Fernande Grandjean; Gary J. Long; Peter K. Dorhout","Na1.515EuGeS4, A Three-Dimensional Crystalline Assembly of Empty Nanotubules Constructed with Europium(II/III) Mixed Valence Ions","Inorganic Chemistry","2012","51","","11779","11786","10.1021/ic301724v","","","0.71073","MoKα","","0.0737","0.0525","","","0.107","0.1127","","","","","","1.016","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330908","12.543","0.003","11.934","0.003","36.154","0.007","90","","91.89","0.003","90","","5409","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H84 N8 O2 S5 U -","- C41 H84 N8 O2 S5 U -","- C164 H336 N32 O8 S20 U4 -","4","1","","Clare E. Rowland; Mercouri G. Kanatzidis; L. Soderholm","Tetraalkylammonium Uranyl Isothiocyanates","Inorganic Chemistry","2012","51","","11798","11804","10.1021/ic301741u","","","0.71073","MoKα","","0.1224","0.0642","","","0.1337","0.1556","","","","","","1.023","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330909","16.365","0.003","9.2621","0.0016","20.346","0.003","90","","97.754","0.002","90","","3055.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 N8 O2 S5 U -","- C17 H36 N8 O2 S5 U -","- C68 H144 N32 O8 S20 U4 -","4","1","","Clare E. Rowland; Mercouri G. Kanatzidis; L. Soderholm","Tetraalkylammonium Uranyl Isothiocyanates","Inorganic Chemistry","2012","51","","11798","11804","10.1021/ic301741u","","","0.71073","MoKα","","0.0613","0.0393","","","0.0836","0.0926","","","","","","1.027","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330910","20.581","0.003","20.318","0.003","20.589","0.003","90","","101.603","0.002","90","","8434","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H60 N8 O2 S5 U -","- C29 H60 N8 O2 S5 U -","- C232 H480 N64 O16 S40 U8 -","8","2","","Clare E. Rowland; Mercouri G. Kanatzidis; L. Soderholm","Tetraalkylammonium Uranyl Isothiocyanates","Inorganic Chemistry","2012","51","","11798","11804","10.1021/ic301741u","","","0.71073","MoKα","","0.0621","0.0431","","","0.0888","0.0974","","","","","","1.03","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330911","21.253","0.002","37.539","0.003","9.3861","0.0014","90","","93.753","0.011","90","","7472.3","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 N3 O6 Zn2 -","- C42 H24 N3 O6 Zn2 -","- C168 H96 N12 O24 Zn8 -","4","0.5","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Comparative Study of Activation Methods on Tuning Gas Sorption Properties of a Metal-Organic Framework with Nanosized Ligands","Inorganic Chemistry","2012","51","","11232","11234","10.1021/ic3017529","","","0.71073","MoKα","","0.0775","0.059","","","0.1668","0.1801","","","","","","0.983","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330912","22.1885","0.0011","14.1645","0.0007","22.5076","0.0011","90","","106.512","0.001","90","","6782.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Cl3 F Mn2 N18 O12 -","- C60 H74 Cl3 F Mn2 N18 O12 -","- C240 H296 Cl12 F4 Mn8 N72 O48 -","4","1","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.05","0.0391","","","0.0989","0.1078","","","","","","1.019","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330913","11.1007","0.0004","12.7715","0.0005","13.4497","0.0005","117.203","0.001","99.415","0.001","104.248","0.001","1557.14","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 B3 F13 Fe2 N16 -","- C56 H68 B3 F13 Fe2 N16 -","- C56 H68 B3 F13 Fe2 N16 -","1","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.0637","0.0549","","","0.1497","0.158","","","","","","1.034","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330914","11.1049","0.0013","12.7328","0.0015","13.3656","0.0015","116.666","0.002","99.639","0.002","104.647","0.002","1545.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 B3 Co2 F13 N16 -","- C56 H68 B3.002 Co2 F13.008 N16 -","- C56 H68 B3.002 Co2 F13.008 N16 -","1","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.0595","0.0532","","","0.1549","0.1622","","","","","","1.058","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330915","14.5757","0.0009","13.4631","0.0008","15.9731","0.0009","90","","95.171","0.001","90","","3121.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 B3 F13 N16 Ni2 O2 -","- C56 H72 B3 F13 N16 Ni2 O2 -","- C112 H144 B6 F26 N32 Ni4 O4 -","2","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.0458","0.0364","","","0.0876","0.0935","","","","","","1.037","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330916","11.223","0.004","12.712","0.004","13.453","0.004","116.453","0.006","101.258","0.006","103.926","0.006","1563.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 B3 Cu2 F13 N16 -","- C56 H68 B3 Cu2 F13 N16 -","- C56 H68 B3 Cu2 F13 N16 -","1","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.0843","0.0627","","","0.1677","0.186","","","","","","1.027","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330917","12.5765","0.0008","13.5961","0.0009","27.8253","0.0018","82.997","0.001","88.741","0.001","71.763","0.001","4484.5","0.5","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H68 B3 Cu2 F13 N16 -","- C56 H68 B3 Cu2 F13 N16 -","- C168 H204 B9 Cu6 F39 N48 -","3","3","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.0709","0.048","","","0.1167","0.1322","","","","","","1.024","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330918","14.6112","0.0008","13.5709","0.0008","15.9646","0.0009","90","","95.154","0.001","90","","3152.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 B3 F13 N16 O2 Zn2 -","- C56 H72 B3 F13 N16 O2 Zn2 -","- C112 H144 B6 F26 N32 O4 Zn4 -","2","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.043","0.0361","","","0.0893","0.0938","","","","","","1.029","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330919","18.0575","0.0008","18.7759","0.0008","20.6046","0.0009","90","","100.845","0.001","90","","6861.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 B3 Cd2 F13 N18 -","- C60 H74 B3 Cd2 F13 N18 -","- C240 H296 B12 Cd8 F52 N72 -","4","0.5","","Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski","Dinuclear Complexes Containing Linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] Bridges: Trends in Structures, Antiferromagnetic Superexchange Interactions, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","11820","11836","10.1021/ic301757g","","","0.71073","MoKα","","0.0388","0.0349","","","0.097","0.1009","","","","","","1.079","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330920","12.3916","0.0015","17.744","0.002","24.391","0.003","90","","90","","90","","5363","1.1","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H76 N4 P2 -","- C52 H76 N4 P2 -","- C208 H304 N16 P8 -","4","0.5","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.0929","0.0517","","","0.1115","0.1231","","","","","","1.031","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330921","12.017","0.005","16.597","0.007","12.765","0.005","90","","97.632","0.005","90","","2523.4","1.8","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl N2 P -","- C26 H38 Cl N2 P -","- C104 H152 Cl4 N8 P4 -","4","1","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.0589","0.0398","","","0.0891","0.0981","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330922","16.186","0.004","17.938","0.004","17.738","0.004","90","","101.922","0.003","90","","5039","2","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 N4 O3 P2 -","- C52 H76 N4 O3 P2 -","- C208 H304 N16 O12 P8 -","4","1","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.0875","0.05","","","0.1096","0.13","","","","","","1.005","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330923","21.123","0.01","10.822","0.005","24.174","0.012","90","","113.48","0.005","90","","5068","4","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 N4 P2 S1.13 -","- C52 H76 N4 P2 S1.13 -","- C208 H304 N16 P8 S4.52 -","4","1","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.0803","0.0584","","","0.1618","0.1779","","","","","","1.078","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330924","20.648","0.005","23.568","0.006","24.274","0.006","67.16","0.003","84.262","0.003","83.823","0.003","10801","5","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N4 P2 Se -","- C52 H76 N4 P2 Se -","- C416 H608 N32 P16 Se8 -","8","4","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.1588","0.0993","","","0.2451","0.2752","","","","","","0.963","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330925","12.5119","0.0017","14.5818","0.0019","28.011","0.004","90","","92.268","0.002","90","","5106.5","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N4 P2 Se2 -","- C52 H76 N4 P2 Se2 -","- C208 H304 N16 P8 Se8 -","4","1","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.1547","0.0691","","","0.0826","0.0957","","","","","","1.196","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330926","12.5708","0.001","13.2461","0.001","20.3636","0.0016","83.037","0.001","77.079","0.001","70.358","0.001","3108.7","0.4","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C125 H176 N8 P4 Te2 -","- C125 H176 N8 P4 Te2 -","- C125 H176 N8 P4 Te2 -","1","1","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.0747","0.0507","","","0.1076","0.1205","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330927","12.954","0.003","12.954","0.003","35.031","0.012","90","","90","","90","","5878","3","130","2","130","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C52 H76 N4 P6 -","- C52 H76 N4 P6 -","- C208 H304 N16 P24 -","4","0.5","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.072","0.0631","","","0.1631","0.1689","","","","","","1.07","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330928","11.1695","0.0005","14.3936","0.0006","19.9752","0.0008","90","","93.772","0.001","90","","3204.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H100 Fe2 O2 -","- C62 H100 Fe2 O2 -","- C124 H200 Fe4 O4 -","2","0.5","","Marc D. Walter; Peter S. White","Reactivity Studies on [Cp'FeI]2: Monomeric Amido, Phenoxo, and Alkyl Complexes","Inorganic Chemistry","2012","51","","11860","11872","10.1021/ic301770f","","","0.71073","MoKα","","0.0708","0.0491","","","0.1307","0.1399","","","","","","1.052","","","","has coordinates","288643","2024-01-03","14:02:40",""
"4330929","10.9446","0.0002","38.0888","0.0007","13.1366","0.0002","90","","113.701","0.001","90","","5014.32","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H78 Fe2 N2 -","- C58 H78 Fe2 N2 -","- C232 H312 Fe8 N8 -","4","1","","Marc D. Walter; Peter S. White","Reactivity Studies on [Cp'FeI]2: Monomeric Amido, Phenoxo, and Alkyl Complexes","Inorganic Chemistry","2012","51","","11860","11872","10.1021/ic301770f","","","1.54178","CuKα","","0.0495","0.0443","","","0.1035","0.1057","","","","","","1.142","","","","has coordinates","288643","2024-01-03","14:02:40",""
"4330930","12.6864","0.0004","15.0289","0.0004","15.2002","0.0004","90","","97.573","0.002","90","","2872.83","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Fe O -","- C32 H52 Fe O -","- C128 H208 Fe4 O4 -","4","1","","Marc D. Walter; Peter S. White","Reactivity Studies on [Cp'FeI]2: Monomeric Amido, Phenoxo, and Alkyl Complexes","Inorganic Chemistry","2012","51","","11860","11872","10.1021/ic301770f","","","0.71073","MoKα","","0.0674","0.0425","","","0.0913","0.1022","","","","","","1.025","","","","has coordinates","288643","2024-01-03","14:02:40",""
"4330931","9.8466","0.001","14.7897","0.0016","18.8919","0.0019","90","","94.933","0.006","90","","2741","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Fe Si2 -","- C24 H48 Fe Si2 -","- C96 H192 Fe4 Si8 -","4","1","","Marc D. Walter; Peter S. White","Reactivity Studies on [Cp'FeI]2: Monomeric Amido, Phenoxo, and Alkyl Complexes","Inorganic Chemistry","2012","51","","11860","11872","10.1021/ic301770f","","","1.54178","CuKα","","0.0415","0.034","","","0.1048","0.1193","","","","","","1.061","","","","has coordinates","288643","2024-01-03","14:02:40",""
"4330932","21.309","0.004","16.214","0.003","9.5786","0.0016","90","","92.013","0.005","90","","3307.4","1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C35 H59 Fe O -","- C35 H59 Fe O -","- C140 H236 Fe4 O4 -","4","0.5","","Marc D. Walter; Peter S. White","Reactivity Studies on [Cp'FeI]2: Monomeric Amido, Phenoxo, and Alkyl Complexes","Inorganic Chemistry","2012","51","","11860","11872","10.1021/ic301770f","","","0.71073","MoKα","","0.0924","0.0603","","","0.1561","0.1694","","","","","","1.081","","","","has coordinates,has disorder","288643","2024-01-03","14:02:40",""
"4330933","21.42","0.003","9.7005","0.0012","16.92","0.002","90","","113.169","0.002","90","","3232.2","0.7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Ga N4 O -","- C36 H46 Ga N4 O -","- C144 H184 Ga4 N16 O4 -","4","0.5","","Chelsea D. Cates; Thomas W. Myers; Louise A. Berben","(IP)2GaIII Complexes Facilitate Net Two-Electron Redox Transformations (IP = α-Iminopyridine)","Inorganic Chemistry","2012","51","","11891","11897","10.1021/ic301792w","","","0.71073","MoKα","","0.053","0.0356","","","0.0844","0.0883","","","","","","0.958","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330934","13.5676","0.0008","17.0986","0.001","19.0882","0.0014","90","","119.289","0.005","90","","3862.1","0.5","90","2","90","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C82 H72 B F24 Ga N4 -","- C82 H72 B F24 Ga N4 -","- C164 H144 B2 F48 Ga2 N8 -","2","0.5","","Chelsea D. Cates; Thomas W. Myers; Louise A. Berben","(IP)2GaIII Complexes Facilitate Net Two-Electron Redox Transformations (IP = α-Iminopyridine)","Inorganic Chemistry","2012","51","","11891","11897","10.1021/ic301792w","","","1.54178","CuKα","","0.0862","0.0477","","","0.0925","0.1004","","","","","","1.339","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330935","10.9584","0.0003","11.2958","0.0004","17.2739","0.0006","82.043","0.001","77.459","0.002","81.12","0.001","2049.96","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 Ga N5 O -","- C45 H62 Ga N5 O -","- C90 H124 Ga2 N10 O2 -","2","1","","Chelsea D. Cates; Thomas W. Myers; Louise A. Berben","(IP)2GaIII Complexes Facilitate Net Two-Electron Redox Transformations (IP = α-Iminopyridine)","Inorganic Chemistry","2012","51","","11891","11897","10.1021/ic301792w","","","1.54178","CuKα","","0.0449","0.0431","","","0.1145","0.1162","","","","","","1.06","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330936","12.4209","0.0007","7.6174","0.0006","17.6595","0.0012","90","","99.822","0.005","90","","1646.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 F6 O6 Pd S2 -","- C8 H12 F6 O6 Pd S2 -","- C32 H48 F24 O24 Pd4 S8 -","4","1","","Tianning Diao; Paul White; Ilia Guzei; Shannon S. Stahl","Characterization of DMSO Coordination to Palladium(II) in Solution and Insights into the Aerobic Oxidation Catalyst, Pd(DMSO)2(TFA)2","Inorganic Chemistry","2012","51","","11898","11909","10.1021/ic301799p","","","1.54178","CuKα","","0.0219","0.0218","","","0.0599","0.06","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330937","8.382","0.004","7.65","0.003","24.478","0.009","90","","98.79","0.03","90","","1551.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 F6 O7 Pd S -","- C8 H12 F6 O7 Pd S -","- C32 H48 F24 O28 Pd4 S4 -","4","1","","Tianning Diao; Paul White; Ilia Guzei; Shannon S. Stahl","Characterization of DMSO Coordination to Palladium(II) in Solution and Insights into the Aerobic Oxidation Catalyst, Pd(DMSO)2(TFA)2","Inorganic Chemistry","2012","51","","11898","11909","10.1021/ic301799p","","","0.71073","MoKα","","0.0226","0.0204","","","0.0457","0.0465","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330938","14.2806","0.0003","17.6277","0.0003","23.2185","0.0004","90","","90","","90","","5844.89","0.19","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(TDAPA)CH3CN][ClO4]","","","- C26 H33 Cl Cu N5 O4 -","- C26 H33 Cl Cu N5 O4 -","- C208 H264 Cl8 Cu8 N40 O32 -","8","1","","William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer","Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2012","51","","11917","11929","10.1021/ic3018198","","","0.71073","MoKα","","0.0875","0.0695","","","0.2361","0.2596","","","","","","1.031","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330939","16.741","0.002","20.309","0.003","18.131","0.002","90","","94.903","0.002","90","","6141.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(PPh3)3][BPh4]","","","- C78 H65 B Cu P3 -","- C78 H65 B Cu P3 -","- C312 H260 B4 Cu4 P12 -","4","1","","William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer","Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2012","51","","11917","11929","10.1021/ic3018198","","","0.71073","MoKα","","0.0604","0.0386","","","0.1138","0.1337","","","","","","0.923","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330940","10.5153","0.0008","13.4234","0.001","19.3711","0.0014","102.774","0.001","104.317","0.001","95.262","0.001","2552.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Cu(PPh3)3(CH3CN)][ClO4]","","","- C59 H54 Cl Cu N O5 P3 -","- C59 H54 Cl Cu N O5 P3 -","- C118 H108 Cl2 Cu2 N2 O10 P6 -","2","1","","William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer","Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2012","51","","11917","11929","10.1021/ic3018198","","","0.71073","MoKα","","0.0463","0.0353","","","0.0965","0.1111","","","","","","1.099","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330941","14.8893","0.0006","15.7278","0.0006","16.8133","0.0006","91.395","0.002","91.568","0.003","90.929","0.002","3934.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu(PPh3)3(PPh3)][BPh4]","","","- C99 H86 B Cu O P4 -","- C99 H86 B Cu O P4 -","- C198 H172 B2 Cu2 O2 P8 -","2","1","","William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer","Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2012","51","","11917","11929","10.1021/ic3018198","","","0.71073","MoKα","","0.045","0.0352","","","0.0823","0.0879","","","","","","1.043","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330942","18.5914","0.0002","11.5624","0.0001","33.6873","0.0003","90","","92.899","0.001","90","","7232.2","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu(TPMA)NCS][BPh4]","","","- C43 H38 B Cu N5 S -","- C43 H38 B Cu N5 S -","- C344 H304 B8 Cu8 N40 S8 -","8","1","","William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer","Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2012","51","","11917","11929","10.1021/ic3018198","","","0.71073","MoKα","","0.0422","0.0338","","","0.1218","0.1308","","","","","","1.026","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330943","6.0033","0.0012","7.4485","0.0015","8.5108","0.0017","90","","96.739","0.002","90","","377.94","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","thiocyanatobenzene","","","- C8 H7 N S -","- C8 H7 N S -","- C16 H14 N2 S2 -","2","1","","William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer","Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2012","51","","11917","11929","10.1021/ic3018198","","","0.71073","MoKα","","0.0365","0.0323","","","0.0906","0.1003","","","","","","0.833","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4330944","7.7145","0.0006","8.9929","0.0006","13.6094","0.001","93.746","0.001","95.547","0.001","106.169","0.001","898.36","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 Br Mn N2 O3 S -","- C16 H12 Br Mn N2 O3 S -","- C32 H24 Br2 Mn2 N4 O6 S2 -","2","1","","Margarita A. Gonzalez; Samantha J. Carrington; Nicole L. Fry; Jose L. Martinez; Pradip K. Mascharak","Syntheses, Structures, and Properties of New Manganese Carbonyls as Photoactive CO-Releasing Molecules: Design Strategies That Lead to CO Photolability in the Visible Region","Inorganic Chemistry","2012","51","","11930","11940","10.1021/ic3018216","","","0.71073","MoKα","","0.067","0.0353","","","0.0644","0.0731","","","","","","1.018","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330945","17.3321","0.0006","22.4429","0.0008","13.2943","0.0005","90","","118.27","","90","","4554.5","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mn(pimq)(CO)3(MeCN)]ClO4","","","- C21 H15 Cl Mn N3 O7 -","- C21 H15 Cl Mn N3 O7 -","- C168 H120 Cl8 Mn8 N24 O56 -","8","1","","Margarita A. Gonzalez; Samantha J. Carrington; Nicole L. Fry; Jose L. Martinez; Pradip K. Mascharak","Syntheses, Structures, and Properties of New Manganese Carbonyls as Photoactive CO-Releasing Molecules: Design Strategies That Lead to CO Photolability in the Visible Region","Inorganic Chemistry","2012","51","","11930","11940","10.1021/ic3018216","","","0.71073","MoKα","","0.0609","0.0482","","","0.1439","0.1567","","","","","","1.052","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330946","31.8928","0.0008","14.0999","0.0004","23.2818","0.0006","90","","112.23","","90","","9691.3","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Mn(qmtpm)(CO)3(MeCN)]ClO4","","","- C22 H17 Cl Mn N3 O7 S -","- C22 H17 Cl Mn N3 O7 S -","- C352 H272 Cl16 Mn16 N48 O112 S16 -","16","2","","Margarita A. Gonzalez; Samantha J. Carrington; Nicole L. Fry; Jose L. Martinez; Pradip K. Mascharak","Syntheses, Structures, and Properties of New Manganese Carbonyls as Photoactive CO-Releasing Molecules: Design Strategies That Lead to CO Photolability in the Visible Region","Inorganic Chemistry","2012","51","","11930","11940","10.1021/ic3018216","","","0.71073","MoKα","","0.0703","0.046","","","0.1223","0.138","","","","","","1.056","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330947","10.017","0.0008","11.5945","0.001","17.2755","0.0014","90","","100.09","0.001","90","","1975.4","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Mn(qmtpm)(CO)3Br]","","","- C20 H14 Br Mn N2 O3 S -","- C20 H14 Br Mn N2 O3 S -","- C80 H56 Br4 Mn4 N8 O12 S4 -","4","1","","Margarita A. Gonzalez; Samantha J. Carrington; Nicole L. Fry; Jose L. Martinez; Pradip K. Mascharak","Syntheses, Structures, and Properties of New Manganese Carbonyls as Photoactive CO-Releasing Molecules: Design Strategies That Lead to CO Photolability in the Visible Region","Inorganic Chemistry","2012","51","","11930","11940","10.1021/ic3018216","","","0.71073","MoKα","","0.0451","0.0295","","","0.0642","0.0704","","","","","","1.026","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330948","8.8047","0.0006","11.2528","0.0008","12.1033","0.0008","70.363","0.001","77.164","0.001","88.608","0.001","1099.54","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 Cl Mn N3 O7 S -","- C18 H12 Cl Mn N3 O7 S -","- C36 H24 Cl2 Mn2 N6 O14 S2 -","2","1","","Margarita A. Gonzalez; Samantha J. Carrington; Nicole L. Fry; Jose L. Martinez; Pradip K. Mascharak","Syntheses, Structures, and Properties of New Manganese Carbonyls as Photoactive CO-Releasing Molecules: Design Strategies That Lead to CO Photolability in the Visible Region","Inorganic Chemistry","2012","51","","11930","11940","10.1021/ic3018216","","","0.71073","MoKα","","0.0545","0.043","","","0.1193","0.1288","","","","","","1.059","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330949","13.149","0.003","22.409","0.005","20.587","0.004","90","","100.99","0.03","90","","5955","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H100 Li O4 Si3 Y -","- C51 H100 Li O4 Si3 Y -","- C204 H400 Li4 O16 Si12 Y4 -","4","1","","Ling Xu; Zitao Wang; Wen-Xiong Zhang; Zhenfeng Xi","Rare-Earth Metal Tris(trimethylsilylmethyl) Anionic Complexes Bearing One 1-Phenyl-2,3,4,5-tetrapropylcyclopentadienyl Ligand: Synthesis, Structural Characterization, and Application","Inorganic Chemistry","2012","51","","11941","11948","10.1021/ic3018369","","","0.71073","MoKα","","0.1166","0.0896","","","0.1417","0.1524","","","","","","1.155","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330950","24.927","0.005","12.716","0.003","19.096","0.004","90","","90","","90","","6053","2","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H98 Ho Li O4 Si3 -","- C51 H98 Ho Li O4 Si3 -","- C204 H392 Ho4 Li4 O16 Si12 -","4","1","","Ling Xu; Zitao Wang; Wen-Xiong Zhang; Zhenfeng Xi","Rare-Earth Metal Tris(trimethylsilylmethyl) Anionic Complexes Bearing One 1-Phenyl-2,3,4,5-tetrapropylcyclopentadienyl Ligand: Synthesis, Structural Characterization, and Application","Inorganic Chemistry","2012","51","","11941","11948","10.1021/ic3018369","","","0.71073","MoKα","","0.1279","0.0691","","","0.1579","0.1782","","","","","","0.871","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330951","13.102","0.003","22.346","0.005","20.541","0.004","90","","101.08","0.03","90","","5902","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H100 Er Li O4 Si3 -","- C51 H100 Er Li O4 Si3 -","- C204 H400 Er4 Li4 O16 Si12 -","4","1","","Ling Xu; Zitao Wang; Wen-Xiong Zhang; Zhenfeng Xi","Rare-Earth Metal Tris(trimethylsilylmethyl) Anionic Complexes Bearing One 1-Phenyl-2,3,4,5-tetrapropylcyclopentadienyl Ligand: Synthesis, Structural Characterization, and Application","Inorganic Chemistry","2012","51","","11941","11948","10.1021/ic3018369","","","0.71073","MoKα","","0.0982","0.0817","","","0.1678","0.1797","","","","","","1.144","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330952","13.444","0.003","24.242","0.005","18.393","0.004","90","","100.1","0.03","90","","5902","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H100 Li O4 Si3 Tm -","- C51 H100 Li O4 Si3 Tm -","- C204 H400 Li4 O16 Si12 Tm4 -","4","1","","Ling Xu; Zitao Wang; Wen-Xiong Zhang; Zhenfeng Xi","Rare-Earth Metal Tris(trimethylsilylmethyl) Anionic Complexes Bearing One 1-Phenyl-2,3,4,5-tetrapropylcyclopentadienyl Ligand: Synthesis, Structural Characterization, and Application","Inorganic Chemistry","2012","51","","11941","11948","10.1021/ic3018369","","","0.71073","MoKα","","0.0915","0.0428","","","0.1024","0.1131","","","","","","1.004","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330953","13.362","0.003","21.979","0.005","20.52","0.005","90","","99.219","0.003","90","","5949","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H100 Li Lu O4 Si3 -","- C51 H100 Li Lu O4 Si3 -","- C204 H400 Li4 Lu4 O16 Si12 -","4","1","","Ling Xu; Zitao Wang; Wen-Xiong Zhang; Zhenfeng Xi","Rare-Earth Metal Tris(trimethylsilylmethyl) Anionic Complexes Bearing One 1-Phenyl-2,3,4,5-tetrapropylcyclopentadienyl Ligand: Synthesis, Structural Characterization, and Application","Inorganic Chemistry","2012","51","","11941","11948","10.1021/ic3018369","","","0.71073","MoKα","","0.0859","0.0778","","","0.1802","0.1859","","","","","","1.18","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330954","13.627","0.003","16.234","0.003","23.257","0.005","90","","105.18","0.03","90","","4965.4","1.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 Lu O5 -","- C57 H63 Lu O5 -","- C228 H252 Lu4 O20 -","4","1","","Ling Xu; Zitao Wang; Wen-Xiong Zhang; Zhenfeng Xi","Rare-Earth Metal Tris(trimethylsilylmethyl) Anionic Complexes Bearing One 1-Phenyl-2,3,4,5-tetrapropylcyclopentadienyl Ligand: Synthesis, Structural Characterization, and Application","Inorganic Chemistry","2012","51","","11941","11948","10.1021/ic3018369","","","0.71073","MoKα","","0.1261","0.0406","","","0.0918","0.144","","","","","","1.001","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330955","8.0505","0.0016","9.488","0.003","10.433","0.002","109.289","0.003","108.169","0.002","98.374","0.003","686.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Plutonium tellurite chloride","","","- Cl2 O11 Pu2 Te4 -","- Cl2 O11 Pu2 Te4 -","- Cl4 O22 Pu4 Te8 -","2","1","","Jian Lin; Justin N. Cross; Juan Diwu; Matthew J. Polinski; Eric M. Villa; Thomas E. Albrecht-Schmitt","Unusual Coordination for Plutonium(IV), Cerium(IV), and Zirconium(IV) in the Cationic Layered Materials [M2Te4O11]X2 (M = Pu, Ce, Zr; X = Cl, Br)","Inorganic Chemistry","2012","51","","11949","11954","10.1021/ic301846g","","","0.71073","MoKα","","0.0578","0.0504","","","0.1152","0.1181","","","","","","2.703","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330956","8.1046","0.0019","9.521","0.002","10.423","0.003","108.537","0.002","108.932","0.002","98.327","0.002","693.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cerium tellurite chloride","","","- Ce2 Cl2 O11 Te4 -","- Ce2 Cl2 O11 Te4 -","- Ce4 Cl4 O22 Te8 -","2","1","","Jian Lin; Justin N. Cross; Juan Diwu; Matthew J. Polinski; Eric M. Villa; Thomas E. Albrecht-Schmitt","Unusual Coordination for Plutonium(IV), Cerium(IV), and Zirconium(IV) in the Cationic Layered Materials [M2Te4O11]X2 (M = Pu, Ce, Zr; X = Cl, Br)","Inorganic Chemistry","2012","51","","11949","11954","10.1021/ic301846g","","","0.71073","MoKα","","0.0453","0.0436","","","0.095","0.0959","","","","","","1.269","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330957","7.7986","0.0011","9.4173","0.0013","10.3257","0.0015","111.031","0.002","107.958","0.002","98.476","0.002","644.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Zirconium tellurite chloride","","","- Cl2 O11 Te4 Zr2 -","- Cl2 O11 Te4 Zr2 -","- Cl4 O22 Te8 Zr4 -","2","1","","Jian Lin; Justin N. Cross; Juan Diwu; Matthew J. Polinski; Eric M. Villa; Thomas E. Albrecht-Schmitt","Unusual Coordination for Plutonium(IV), Cerium(IV), and Zirconium(IV) in the Cationic Layered Materials [M2Te4O11]X2 (M = Pu, Ce, Zr; X = Cl, Br)","Inorganic Chemistry","2012","51","","11949","11954","10.1021/ic301846g","","","0.71073","MoKα","","0.0589","0.0423","","","0.0936","0.1023","","","","","","1.083","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330958","7.8","0.003","9.529","0.003","10.563","0.005","112.513","0.004","106.483","0.005","99.473","0.003","661.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Zirconium tellurite bromide","","","- Br2 O11 Te4 Zr2 -","- Br2 O11 Te4 Zr2 -","- Br4 O22 Te8 Zr4 -","2","1","","Jian Lin; Justin N. Cross; Juan Diwu; Matthew J. Polinski; Eric M. Villa; Thomas E. Albrecht-Schmitt","Unusual Coordination for Plutonium(IV), Cerium(IV), and Zirconium(IV) in the Cationic Layered Materials [M2Te4O11]X2 (M = Pu, Ce, Zr; X = Cl, Br)","Inorganic Chemistry","2012","51","","11949","11954","10.1021/ic301846g","","","0.71073","MoKα","","0.0453","0.0413","","","0.094","0.0956","","","","","","1.709","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330959","15.4926","0.0016","11.5375","0.0011","11.8489","0.0012","90","","110.089","0.002","90","","1989.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N2 O Pd0.5 -","- C23 H22 Cl N2 O Pd0.5 -","- C92 H88 Cl4 N8 O4 Pd2 -","4","1","","Andreii S. Kritchenkov; Nadezhda A. Bokach; Galina L. Starova; Vadim Yu. Kukushkin","A Palladium(II) Center Activates Nitrile Ligands toward 1,3-Dipolar Cycloaddition of Nitrones Substantially More than the Corresponding Platinum(II) Center","Inorganic Chemistry","2012","51","","11971","11979","10.1021/ic301866y","","","0.71073","MoKα","","0.1115","0.0526","","","0.1119","0.1228","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330960","8.7735","0.0003","8.7735","0.0003","13.826","0.0005","90","","90","","120","","921.66","0.06","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","Calcium Platinide Silicide","decacalcium heptaplatinium trisilicide","","- Ca10 Pt7 Si3 -","- Ca10 Pt7 Si3 -","- Ca20 Pt14 Si6 -","2","0.0833333","","Isa Doverbratt; Siméon Ponou; Sven Lidin; Daniel C. Fredrickson","Ca~10~Pt~7~Tt~3~ (Tt = Si, Ge): New Platinide phases Featuring Electron-rich 4c-6e bonded [Pt~7~Si~3~]20^-^ Intermetalloid cluster","Inorganic Chemistry","2012","51","","11980","11985","10.1021/ic301867q","","","0.71073","MoKα","","0.0329","0.0235","","","0.0556","0.058","","","","","","1.034","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330961","8.8059","0.0005","8.8059","0.0005","13.8899","0.0012","90","","90","","120","","932.78","0.11","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","Calcium Platinide germanide","decacalcium heptaplatinium trigermanide","","- Ca10 Ge3 Pt7 -","- Ca10 Ge3 Pt7 -","- Ca20 Ge6 Pt14 -","2","0.0833333","","Isa Doverbratt; Siméon Ponou; Sven Lidin; Daniel C. Fredrickson","Ca~10~Pt~7~Tt~3~ (Tt = Si, Ge): New Platinide phases Featuring Electron-rich 4c-6e bonded [Pt~7~Si~3~]20^-^ Intermetalloid cluster","Inorganic Chemistry","2012","51","","11980","11985","10.1021/ic301867q","","","0.71073","MoKα","","0.0799","0.0287","","","0.0476","0.0516","","","","","","0.905","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330962","12.4536","0.0014","13.4428","0.0015","16.8723","0.0019","90","","110.061","0.002","90","","2653.2","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl P Rh S -","- C30 H33 Cl P Rh S -","- C120 H132 Cl4 P4 Rh4 S4 -","4","1","","Hyojong Yoo; Mari S. Rosen; Aaron M. Brown; Michael J. Wiester; Charlotte L. Stern; Chad A. Mirkin","Elucidating the Mechanism of the Halide-Induced Ligand Rearrangement Reaction","Inorganic Chemistry","2012","51","","11986","11995","10.1021/ic3018776","","","0.71073","MoKα","","0.0476","0.0372","","","0.0886","0.0958","","","","","","1.105","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330963","10.7909","0.0001","19.2179","0.0003","11.0684","0.0002","90","","94.039","0.001","90","","2289.65","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl O P Rh -","- C27 H27 Cl O P Rh -","- C108 H108 Cl4 O4 P4 Rh4 -","4","1","","Hyojong Yoo; Mari S. Rosen; Aaron M. Brown; Michael J. Wiester; Charlotte L. Stern; Chad A. Mirkin","Elucidating the Mechanism of the Halide-Induced Ligand Rearrangement Reaction","Inorganic Chemistry","2012","51","","11986","11995","10.1021/ic3018776","","","0.71073","MoKα","","0.0269","0.0221","","","0.0615","0.0643","","","","","","1.013","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330964","14.5451","0.0007","10.3208","0.0004","11.6201","0.0004","90","","90.372","0.004","90","","1744.34","0.12","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N2 O17 Re2 -","- C28 H34 N2 O17 Re2 -","- C56 H68 N4 O34 Re4 -","2","0.5","","Marietjie Schutte; Andreas Roodt; Hendrik G. Visser","Coordinated Aqua vs Methanol Substitution Kinetics in fac-Re(I) Tricarbonyl Tropolonato Complexes","Inorganic Chemistry","2012","51","","11996","12006","10.1021/ic301891u","","","0.71073","MoKα","","0.0866","0.0534","","","0.1001","0.1086","","","","","","1.063","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330965","16.349","0.005","6.89","0.005","14.239","0.005","90","0.005","114.39","0.005","90","0.005","1460.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N O5 Re -","- C15 H10 N O5 Re -","- C60 H40 N4 O20 Re4 -","4","1","","Marietjie Schutte; Andreas Roodt; Hendrik G. Visser","Coordinated Aqua vs Methanol Substitution Kinetics in fac-Re(I) Tricarbonyl Tropolonato Complexes","Inorganic Chemistry","2012","51","","11996","12006","10.1021/ic301891u","","","0.71073","MoKα","","0.0329","0.0225","","","0.0406","0.0438","","","","","","1.037","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330966","13.8872","0.001","17.9325","0.0014","20.7047","0.0014","74.469","0.003","77.786","0.003","88.189","0.003","4853.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H108 Ge2 N12 O88 Sb4 W18 -","- C24 H20 Ge2 O84 Sb4 W18 -","- C48 H40 Ge4 O168 Sb8 W36 -","2","1","","Maria Barsukova-Stuckart; Luis F. Piedra-Garza; Bimersha Gautam; Gabriela Alfaro-Espinoza; Natalya V. Izarova; Abhishek Banerjee; Bassem S. Bassil; Matthias S. Ullrich; Hans J. Breunig; Cristian Silvestru; Ulrich Kortz","Synthesis and Biological Activity of Organoantimony(III)-Containing Heteropolytungstates","Inorganic Chemistry","2012","51","","12015","12022","10.1021/ic301892s","","","0.71073","MoKα","","0.1116","0.0549","","","0.1284","0.1667","","","","","","1.004","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330967","12.7882","0.0016","13.9014","0.0016","16.236","0.002","73.118","0.007","77.083","0.008","65.203","0.007","2490","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H60 Na O88 P2 Rb9 Sb4 W18 -","- C24 H20 O82.5 P2 Rb9 Sb4 W18 -","- C24 H20 O82.5 P2 Rb9 Sb4 W18 -","1","0.5","","Maria Barsukova-Stuckart; Luis F. Piedra-Garza; Bimersha Gautam; Gabriela Alfaro-Espinoza; Natalya V. Izarova; Abhishek Banerjee; Bassem S. Bassil; Matthias S. Ullrich; Hans J. Breunig; Cristian Silvestru; Ulrich Kortz","Synthesis and Biological Activity of Organoantimony(III)-Containing Heteropolytungstates","Inorganic Chemistry","2012","51","","12015","12022","10.1021/ic301892s","","","0.71073","MoKα","","0.0621","0.043","","","0.1272","0.1607","","","","","","1.005","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330968","15.5607","0.0004","17.8585","0.0005","22.932","0.0007","90","","100.2","0.001","90","","6271.9","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H54 As N3 O42 Rb3 Sb3 W9 -","- C27 H36 As N3 O40 Rb3 Sb3 W9 -","- C108 H144 As4 N12 O160 Rb12 Sb12 W36 -","4","1","","Maria Barsukova-Stuckart; Luis F. Piedra-Garza; Bimersha Gautam; Gabriela Alfaro-Espinoza; Natalya V. Izarova; Abhishek Banerjee; Bassem S. Bassil; Matthias S. Ullrich; Hans J. Breunig; Cristian Silvestru; Ulrich Kortz","Synthesis and Biological Activity of Organoantimony(III)-Containing Heteropolytungstates","Inorganic Chemistry","2012","51","","12015","12022","10.1021/ic301892s","","","0.71073","MoKα","","0.062","0.045","","","0.1039","0.1117","","","","","","1.045","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330969","6.1363","0.0013","15.109","0.004","9.7475","0.0017","90","","94.37","0.015","90","","901.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H27 Cr N Na O6 -","- C15 H27 Cr N Na O6 -","- C30 H54 Cr2 N2 Na2 O12 -","2","1","","Ruben Bartholomäus; Klaus Harms; Aviva Levina; Peter A. Lay","Synthesis and Characterization of a Chromium(V) cis-1,2-Cyclohexanediolato Complex: A Model of Reactive Intermediates in Chromium-Induced Cancers","Inorganic Chemistry","2012","51","","11238","11240","10.1021/ic301900q","","","0.71073","MoKα","","0.1704","0.0632","","","0.1151","0.1494","","","","","","0.799","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330970","14.3506","0.0009","14.3701","0.0009","24.9092","0.0016","78.638","0.003","79.518","0.003","66.563","0.003","4589.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H127 N2 O10 Ti2 -","- C78 H123 N2 O10 Ti2 -","- C156 H246 N4 O20 Ti4 -","2","1","","Timothy J. Boyle; Daniel T. Yonemoto; Leigh Anna Steele; Joshua Farrell; Peter Renehan; Taylor Huhta","Coordination Chemistry of N,N,N',N'-Tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine Modified Group 4 Metal Alkoxides","Inorganic Chemistry","2012","51","","12023","12031","10.1021/ic3019327","","","0.71073","MoKα","","0.1112","0.0949","","","0.2549","0.264","","","","","","1.656","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330971","14.628","0.0007","18.2723","0.0009","19.0406","0.001","85.188","0.003","75.049","0.003","79.783","0.003","4835.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H144 N2 O10 Ti2 -","- C86 H144 N2 O10 Ti2 -","- C172 H288 N4 O20 Ti4 -","2","1","","Timothy J. Boyle; Daniel T. Yonemoto; Leigh Anna Steele; Joshua Farrell; Peter Renehan; Taylor Huhta","Coordination Chemistry of N,N,N',N'-Tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine Modified Group 4 Metal Alkoxides","Inorganic Chemistry","2012","51","","12023","12031","10.1021/ic3019327","","","0.71073","MoKα","","0.091","0.066","","","0.219","0.2446","","","","","","0.914","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330972","15.9322","0.0006","23.3733","0.0006","26.3238","0.0006","90","","101.795","0.002","90","","9595.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H136 N2 O10 Ti2 -","- C82 H136 N2 O10 Ti2 -","- C328 H544 N8 O40 Ti8 -","4","0.5","","Timothy J. Boyle; Daniel T. Yonemoto; Leigh Anna Steele; Joshua Farrell; Peter Renehan; Taylor Huhta","Coordination Chemistry of N,N,N',N'-Tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine Modified Group 4 Metal Alkoxides","Inorganic Chemistry","2012","51","","12023","12031","10.1021/ic3019327","","","0.71073","MoKα","","0.1229","0.0813","","","0.2078","0.2307","","","","","","1.318","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330973","16.0838","0.0013","23.7108","0.0013","26.2422","0.0015","90","","101.242","0.005","90","","9815.7","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H152 N2 O10 Zr2 -","- C96 H152 N2 O10 Zr2 -","- C384 H608 N8 O40 Zr8 -","4","0.5","","Timothy J. Boyle; Daniel T. Yonemoto; Leigh Anna Steele; Joshua Farrell; Peter Renehan; Taylor Huhta","Coordination Chemistry of N,N,N',N'-Tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine Modified Group 4 Metal Alkoxides","Inorganic Chemistry","2012","51","","12023","12031","10.1021/ic3019327","","","0.71073","MoKα","","0.068","0.0408","","","0.1171","0.1498","","","","","","0.981","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330974","16.0892","0.0014","23.729","0.002","26.233","0.003","90","","101.363","0.001","90","","9818.9","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H152 Hf2 N2 O10 -","- C96 H152 Hf2 N2 O10 -","- C384 H608 Hf8 N8 O40 -","4","0.5","","Timothy J. Boyle; Daniel T. Yonemoto; Leigh Anna Steele; Joshua Farrell; Peter Renehan; Taylor Huhta","Coordination Chemistry of N,N,N',N'-Tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine Modified Group 4 Metal Alkoxides","Inorganic Chemistry","2012","51","","12023","12031","10.1021/ic3019327","","","0.71073","MoKα","","0.0271","0.0225","","","0.0838","0.0947","","","","","","0.802","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330975","11.1671","0.0014","14.0685","0.0017","21.67","0.003","72.97","0.002","82.35","0.002","70.906","0.002","3073.5","0.7","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 Cl8 N2 O10 Ti2 -","- C54 Cl8 N2 O10 Ti2 -","- C108 Cl16 N4 O20 Ti4 -","2","1","","Timothy J. Boyle; Daniel T. Yonemoto; Leigh Anna Steele; Joshua Farrell; Peter Renehan; Taylor Huhta","Coordination Chemistry of N,N,N',N'-Tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine Modified Group 4 Metal Alkoxides","Inorganic Chemistry","2012","51","","12023","12031","10.1021/ic3019327","","","0.71073","MoKα","","0.1318","0.0715","","","0.1822","0.2175","","","","","","1.022","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330976","17.917","0.008","7.018","0.003","12.667","0.006","90","","103.727","0.005","90","","1547.3","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 As2 O8 U -","- C12 H12 As2 O8 U -","- C48 H48 As8 O32 U4 -","4","1","","Pius O. Adelani; Laurent J. Jouffret; Jennifer E. S. Szymanowski; Peter C. Burns","Correlations and Differences between Uranium(VI) Arsonates and Phosphonates","Inorganic Chemistry","2012","51","","12032","12040","10.1021/ic301942t","","","0.71073","MoKα","","0.0296","0.0221","","","0.0431","0.0452","","","","","","1.139","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330977","8.0383","0.0013","12.336","0.002","15.889","0.003","77.787","0.002","81.552","0.002","89.978","0.002","1522.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 As4 O20 U2 -","- C12 H8 As4 O20 U2 -","- C24 H16 As8 O40 U4 -","2","1","","Pius O. Adelani; Laurent J. Jouffret; Jennifer E. S. Szymanowski; Peter C. Burns","Correlations and Differences between Uranium(VI) Arsonates and Phosphonates","Inorganic Chemistry","2012","51","","12032","12040","10.1021/ic301942t","","","0.71073","MoKα","","0.0522","0.0408","","","0.1114","0.1175","","","","","","1.033","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330978","23.999","0.005","5.2714","0.0012","16.905","0.004","90","","129.179","0.002","90","","1657.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 As2 N2 O9 U -","- C12 H12 As2 N2 O9 U -","- C48 H48 As8 N8 O36 U4 -","4","0.5","","Pius O. Adelani; Laurent J. Jouffret; Jennifer E. S. Szymanowski; Peter C. Burns","Correlations and Differences between Uranium(VI) Arsonates and Phosphonates","Inorganic Chemistry","2012","51","","12032","12040","10.1021/ic301942t","","","0.71073","MoKα","","0.0539","0.0285","","","0.0676","0.0735","","","","","","0.968","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330979","24.2548","0.001","24.2548","0.001","21.7572","0.0014","90","","90","","90","","12799.7","1.1","173","","173","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C134.82 H150 Fe8 O2.19 S10.25 -","","","4","0.25","","Shun Ohta; Yasuhiro Ohki; Takayoshi Hashimoto; Roger E. Cramer; Kazuyuki Tatsumi","A Nitrogenase Cluster Model [Fe8S6O] with an Oxygen Unsymmetrically Bridging Two Proto-Fe4S3 Cubes: Relevancy to the Substrate Binding Mode of the FeMo Cofactor","Inorganic Chemistry","2012","51","","11217","11219","10.1021/ic301348f","","","0.71075","MoKα","","","0.0637","","","","0.1809","","","","","","1.118","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330980","13.8212","0.0006","16.4961","0.0008","13.4479","0.0006","89.701","0.001","62.242","0.0009","72.218","0.001","2549.2","0.2","170.2","","170.2","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H43 N5 O4 P2 Re -","- C56 H43 N5 O4 P2 Re -","- C112 H86 N10 O8 P4 Re2 -","2","1","","Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara","Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes","Inorganic Chemistry","2012","51","","12065","12074","10.1021/ic202243d","","","0.7107","MoKα","","","0.0589","","","","0.1417","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330981","10.7379","0.0004","11.4894","0.0003","20.7772","0.0006","79.2564","0.0009","78.353","0.001","77.2196","0.0009","2421.23","0.13","170.2","","170.2","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H47 N5 O P2 Re -","- C55 H47 N5 O P2 Re -","- C110 H94 N10 O2 P4 Re2 -","2","1","","Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara","Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes","Inorganic Chemistry","2012","51","","12065","12074","10.1021/ic202243d","","","0.7107","MoKα","","","0.0378","","","","0.1087","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330982","20.2827","0.0006","13.2697","0.0004","21.7579","0.0007","90","","115.257","0.0007","90","","5296.2","0.3","170.2","","170.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H50 N5 O3 P2 Re -","- C58 H50 N5 O3 P2 Re -","- C232 H200 N20 O12 P8 Re4 -","4","1","","Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara","Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes","Inorganic Chemistry","2012","51","","12065","12074","10.1021/ic202243d","","","0.7107","MoKα","","","0.0376","","","","0.092","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330983","9.003","0.003","11.174","0.003","13.03","0.005","64.77","0.01","81.19","0.01","80.08","0.01","1163.4","0.7","170.2","","170.2","","","","","","","","","6","P 1","P 1","1","","","","- C55 H46 N5 O P2 Re -","- C55 H46 N5 O P2 Re -","- C55 H46 N5 O P2 Re -","1","1","","Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara","Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes","Inorganic Chemistry","2012","51","","12065","12074","10.1021/ic202243d","","","0.7107","MoKα","","","0.0487","","","","0.1251","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330984","13.427","0.009","14","0.01","16.64","0.01","108.67","0.01","90.16","0.01","119.296","0.006","2536","3","170.2","","170.2","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H40 N5 O4 P2 Tc -","- C55 H40 N5 O4 P2 Tc -","- C110 H80 N10 O8 P4 Tc2 -","2","1","","Hayato Ikeda; Takashi Yoshimura; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara","Photoluminescence Switching with Changes in the Coordination Number and Coordinating Volatile Organic Compounds in Tetracyanidonitridorhenium(V) and -technetium(V) Complexes","Inorganic Chemistry","2012","51","","12065","12074","10.1021/ic202243d","","","0.7107","MoKα","","","0.0785","","","","0.2407","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330985","11.3197","0.0058","12.2959","0.0062","19.7367","0.0097","95.2515","0.0095","97.4816","0.0104","94.9376","0.0079","2699","2","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H41 Cl2 F4 Fe N6 Pt S6 -","- C48 H41 Cl2 F4 Fe N6 Pt S6 -","- C96 H82 Cl4 F8 Fe2 N12 Pt2 S12 -","2","1","","Tetsuro Kusamoto; Kenji Takada; Ryota Sakamoto; Shoko Kume; Hiroshi Nishihara","Ferrocene-Dithiolene Hybrids: Control of Strong Donor-Acceptor Electronic Communication to Reverse the Charge Transfer Direction","Inorganic Chemistry","2012","51","","12102","12113","10.1021/ic300581a","","","0.71073","MoKα","","","0.083","","","","0.2088","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330986","11.93","0.0026","15.0956","0.003","19.6212","0.0042","90","","96.8606","0.0026","90","","3508.3","1.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Fe S6 -","- C16 H14 Fe S6 -","- C128 H112 Fe8 S48 -","8","2","","Tetsuro Kusamoto; Kenji Takada; Ryota Sakamoto; Shoko Kume; Hiroshi Nishihara","Ferrocene-Dithiolene Hybrids: Control of Strong Donor-Acceptor Electronic Communication to Reverse the Charge Transfer Direction","Inorganic Chemistry","2012","51","","12102","12113","10.1021/ic300581a","","","0.71073","MoKα","","","0.0455","","","0.1074","0.1363","","","","","","1.076","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330987","14.482","0.003","11.329","0.002","20.162","0.004","90","","101.89","0.003","90","","3236.9","1.1","113","2","113","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H32 Fe N2 Pt S6 -","- C32 H32 Fe N2 Pt S6 -","- C128 H128 Fe4 N8 Pt4 S24 -","4","1","","Tetsuro Kusamoto; Kenji Takada; Ryota Sakamoto; Shoko Kume; Hiroshi Nishihara","Ferrocene-Dithiolene Hybrids: Control of Strong Donor-Acceptor Electronic Communication to Reverse the Charge Transfer Direction","Inorganic Chemistry","2012","51","","12102","12113","10.1021/ic300581a","","","0.71073","MoKα","","0.0789","0.0647","","","0.1004","0.107","","","","","","1.123","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330988","12.432","0.0002","13.543","0.0002","13.9288","0.0003","74.532","0.002","85.776","0.001","79.589","0.001","2222.19","0.07","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 Cl2 F10 Ir N6 P -","- C48 H30 Cl2 F10 Ir N6 P -","- C96 H60 Cl4 F20 Ir2 N12 P2 -","2","1","","Hsiao-Fan Chen; Wen-Yi Hung; Shou-Wei Chen; Ting-Chih Wang; Shih-Wei Lin; Shu-Hua Chou; Chih-Teng Liao; Hai-Ching Su; Hsiao-An Pan; Pi-Tai Chou; Yi-Hung Liu; Ken-Tsung Wong","Cationic Iridium Complexes with Intramolecular π-π Interaction and Enhanced Steric Hindrance for Solid-State Light-Emitting Electrochemical Cells","Inorganic Chemistry","2012","51","","12114","12121","10.1021/ic300673k","","","0.71073","MoKα","","0.0536","0.0404","","","0.1089","0.1168","","","","","","0.893","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330989","16.3211","0.0007","16.8506","0.0005","19.4315","0.001","90","","114.738","0.006","90","","4853.6","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H33 Cl F10 Ir N6 P -","- C53.5 H33 Cl F10 Ir N6 P -","- C214 H132 Cl4 F40 Ir4 N24 P4 -","4","1","","Hsiao-Fan Chen; Wen-Yi Hung; Shou-Wei Chen; Ting-Chih Wang; Shih-Wei Lin; Shu-Hua Chou; Chih-Teng Liao; Hai-Ching Su; Hsiao-An Pan; Pi-Tai Chou; Yi-Hung Liu; Ken-Tsung Wong","Cationic Iridium Complexes with Intramolecular π-π Interaction and Enhanced Steric Hindrance for Solid-State Light-Emitting Electrochemical Cells","Inorganic Chemistry","2012","51","","12114","12121","10.1021/ic300673k","","","0.71073","MoKα","","0.0626","0.035","","","0.0973","0.1077","","","","","","0.675","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330990","45.474","0.002","8.9507","0.0005","23.6102","0.0012","90","","120.745","0.0005","90","","8259.3","0.7","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H58 N5 O Rh -","- C46 H58 N5 O Rh -","- C368 H464 N40 O8 Rh8 -","8","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)","Inorganic Chemistry","2012","51","","12122","12131","10.1021/ic300733j","","","0.71073","MoKα","","0.0429","0.0297","","","0.0657","0.0709","","","","","","1.025","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330991","19.0502","0.001","19.3893","0.001","21.0914","0.0011","90","","90","","90","","7790.5","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H51 Cl2 N4 Rh -","- C43 H51 Cl2 N4 Rh -","- C344 H408 Cl16 N32 Rh8 -","8","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)","Inorganic Chemistry","2012","51","","12122","12131","10.1021/ic300733j","","","0.71073","MoKα","","0.0271","0.0244","","","0.0657","0.0681","","","","","","1.149","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330992","16.7113","0.0016","17.8371","0.0017","26.507","0.003","90","","90","","90","","7901.2","1.4","88","2","88","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H45 Cl2 F6 N4 Rh -","- C43 H45 Cl2 F6 N4 Rh -","- C344 H360 Cl16 F48 N32 Rh8 -","8","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)","Inorganic Chemistry","2012","51","","12122","12131","10.1021/ic300733j","","","0.71073","MoKα","","0.0442","0.0366","","","0.0809","0.0837","","","","","","1.098","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330993","16.4697","0.0005","13.4993","0.0004","22.0254","0.0007","90","","107.69","","90","","4665.3","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H49 Br2 Cl4 F6 N4 Rh -","- C45 H49 Br2 Cl4 F6 N4 Rh -","- C180 H196 Br8 Cl16 F24 N16 Rh4 -","4","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)","Inorganic Chemistry","2012","51","","12122","12131","10.1021/ic300733j","","","0.71073","MoKα","","0.0258","0.0223","","","0.0546","0.0559","","","","","","1.048","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330994","11.72","0.0014","20","0.002","20.356","0.002","90","","100.673","0.002","90","","4688.9","0.9","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 Cl4 I2 N4 Rh -","- C45 H55 Cl4 I2 N4 Rh -","- C180 H220 Cl16 I8 N16 Rh4 -","4","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)","Inorganic Chemistry","2012","51","","12122","12131","10.1021/ic300733j","","","0.71073","MoKα","","0.0384","0.0281","","","0.0628","0.0685","","","","","","1.06","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330995","12.2987","0.0003","14.3062","0.0003","34.1066","0.0007","90","","102.219","0.001","90","","5865","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","Bis[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl)-3,5- bis(4-methoxyphenyl)-2-ylidene)amine]Co(II)","","- C72 H60 Co N6 O8 -","- C72 H60 Co N6 O8 -","- C288 H240 Co4 N24 O32 -","4","1","","André Bessette; Janaina G. Ferreira; Martin Giguère; Francis Bélanger; Denis Désilets; Garry S. Hanan","Azadipyrromethene Dye Derivatives in Coordination Chemistry: the Structure-Property Relationship in Homoleptic Metal(II) Complexes","Inorganic Chemistry","2012","51","","12132","12141","10.1021/ic300872m","","","1.54178","CuKα","","0.0854","0.061","","","0.1563","0.1686","","","","","","1.079","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4330996","19.4979","0.0005","7.0104","0.0002","21.2448","0.0005","90","","105.288","0.0015","90","","2801.15","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","tetra-p-methoxyphenylazadipyrromethene","","- C36 H31 N3 O4 -","- C36 H31 N3 O4 -","- C144 H124 N12 O16 -","4","1","","André Bessette; Janaina G. Ferreira; Martin Giguère; Francis Bélanger; Denis Désilets; Garry S. Hanan","Azadipyrromethene Dye Derivatives in Coordination Chemistry: the Structure-Property Relationship in Homoleptic Metal(II) Complexes","Inorganic Chemistry","2012","51","","12132","12141","10.1021/ic300872m","","","1.54178","CuKα","","0.1111","0.0752","","","0.2108","0.2312","","","","","","0.974","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4330997","22.058","0.005","8.565","0.005","21.175","0.005","90","","90","","90","","4001","3","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H14 Cl2 N5 O2 Zn1.5 -","- C19 H14 Cl2 N5 O2 Zn1.5 -","- C152 H112 Cl16 N40 O16 Zn12 -","8","1","","Monami Maiti; Dipali Sadhukhan; Santarupa Thakurta; Syamantak Roy; Guillaume Pilet; Ray J. Butcher; Aline Nonat; Loïc J. Charbonnière; Samiran Mitra","Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes: Crystal Structure and Photophysical and Thermal Studies","Inorganic Chemistry","2012","51","","12176","12187","10.1021/ic3012958","","","0.71069","MoKα","","0.0543","0.0447","","0.0513","0.0486","0.0482","","","","","","1.0949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330998","8.9636","0.0007","11.805","0.0011","13.7543","0.0012","94.286","0.007","98.378","0.007","106.098","0.008","1373.2","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H26 N8 O4.5 Zn2 -","- C25.5 H26 N8 O4.5 Zn2 -","- C51 H52 N16 O9 Zn4 -","2","1","","Monami Maiti; Dipali Sadhukhan; Santarupa Thakurta; Syamantak Roy; Guillaume Pilet; Ray J. Butcher; Aline Nonat; Loïc J. Charbonnière; Samiran Mitra","Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes: Crystal Structure and Photophysical and Thermal Studies","Inorganic Chemistry","2012","51","","12176","12187","10.1021/ic3012958","","","0.71069","MoKα","","0.0835","0.0624","","0.0854","0.0695","0.0662","","","","","","1.0763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330999","17.4758","0.0013","22.17","0.002","14.051","0.0011","90","","97.66","0.008","90","","5395.3","0.8","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H36 Br4 N16 O8 Zn4 -","- C46 H36 Br4 N16 O8 Zn4 -","- C184 H144 Br16 N64 O32 Zn16 -","4","0.5","","Monami Maiti; Dipali Sadhukhan; Santarupa Thakurta; Syamantak Roy; Guillaume Pilet; Ray J. Butcher; Aline Nonat; Loïc J. Charbonnière; Samiran Mitra","Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes: Crystal Structure and Photophysical and Thermal Studies","Inorganic Chemistry","2012","51","","12176","12187","10.1021/ic3012958","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331000","32.349","0.005","27.916","0.005","18.025","0.005","90","","90","","90","","16278","6","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C152 H112 Br16 N40 O16 Zn12 -","- C152 H112 Br16 N40 O16 Zn12 -","- C608 H448 Br64 N160 O64 Zn48 -","4","0.25","","Monami Maiti; Dipali Sadhukhan; Santarupa Thakurta; Syamantak Roy; Guillaume Pilet; Ray J. Butcher; Aline Nonat; Loïc J. Charbonnière; Samiran Mitra","Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes: Crystal Structure and Photophysical and Thermal Studies","Inorganic Chemistry","2012","51","","12176","12187","10.1021/ic3012958","","","0.71069","MoKα","","0.1004","0.0567","","0.123","0.064","0.064","","","","","","1.0408","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331001","10.5022","0.0004","12.7915","0.0006","11.1556","0.0005","90","","97.851","0.003","90","","1484.58","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N4 O2 -","- C13 H21 N4 O2 -","- C52 H84 N16 O8 -","4","1","","Victor I. Ovcharenko; Sergey V. Fokin; Elvina T. Kostina; Galina V. Romanenko; Artem S. Bogomyakov; Eugene V. Tretyakov","First Example of a Reversible Single-Crystal-to-Single-Crystal Polymerization-Depolymerization Accompanied by a Magnetic Anomaly for a Transition-Metal Complex with an Organic Radical","Inorganic Chemistry","2012","51","","12188","12194","10.1021/ic301328x","","","0.71073","MoKα","","0.0879","0.0364","","","0.0855","0.0999","","","","","","0.803","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331002","11.3771","0.0017","14.03","0.003","18.121","0.003","90","","90","","90","","2892.5","0.9","240","2","240","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N4 O2 -","- C13 H21 N4 O2 -","- C104 H168 N32 O16 -","8","1","","Victor I. Ovcharenko; Sergey V. Fokin; Elvina T. Kostina; Galina V. Romanenko; Artem S. Bogomyakov; Eugene V. Tretyakov","First Example of a Reversible Single-Crystal-to-Single-Crystal Polymerization-Depolymerization Accompanied by a Magnetic Anomaly for a Transition-Metal Complex with an Organic Radical","Inorganic Chemistry","2012","51","","12188","12194","10.1021/ic301328x","","","0.71073","MoKα","","0.204","0.0478","","","0.09","0.1232","","","","","","0.749","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331003","14.3307","0.0012","15.1904","0.0012","16.3683","0.0013","89.5","0.002","77.754","0.002","63.458","0.002","3100","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C92 H92 Cu4 F48 N16 O24 -","4","2","","Victor I. Ovcharenko; Sergey V. Fokin; Elvina T. Kostina; Galina V. Romanenko; Artem S. Bogomyakov; Eugene V. Tretyakov","First Example of a Reversible Single-Crystal-to-Single-Crystal Polymerization-Depolymerization Accompanied by a Magnetic Anomaly for a Transition-Metal Complex with an Organic Radical","Inorganic Chemistry","2012","51","","12188","12194","10.1021/ic301328x","","","0.71073","MoKα","","0.1203","0.0434","","","0.1022","0.1287","","","","","","0.898","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331004","14.2286","0.0011","15.1117","0.0011","16.2854","0.0011","89.606","0.005","77.58","0.005","63.539","0.005","3045.6","0.4","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C92 H92 Cu4 F48 N16 O24 -","4","2","","Victor I. Ovcharenko; Sergey V. Fokin; Elvina T. Kostina; Galina V. Romanenko; Artem S. Bogomyakov; Eugene V. Tretyakov","First Example of a Reversible Single-Crystal-to-Single-Crystal Polymerization-Depolymerization Accompanied by a Magnetic Anomaly for a Transition-Metal Complex with an Organic Radical","Inorganic Chemistry","2012","51","","12188","12194","10.1021/ic301328x","","","0.71073","MoKα","","0.174","0.0426","","","0.084","0.1111","","","","","","0.804","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331005","9.963","0.0012","11.4996","0.0013","14.542","0.002","72.007","0.01","73.271","0.01","88.712","0.009","1513.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C46 H46 Cu2 F24 N8 O12 -","2","1","","Victor I. Ovcharenko; Sergey V. Fokin; Elvina T. Kostina; Galina V. Romanenko; Artem S. Bogomyakov; Eugene V. Tretyakov","First Example of a Reversible Single-Crystal-to-Single-Crystal Polymerization-Depolymerization Accompanied by a Magnetic Anomaly for a Transition-Metal Complex with an Organic Radical","Inorganic Chemistry","2012","51","","12188","12194","10.1021/ic301328x","","","0.71073","MoKα","","0.2505","0.0929","","","0.246","0.3478","","","","","","1.048","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331006","12.0955","0.0011","14.8823","0.0013","21.5794","0.0019","90","","94.364","0.005","90","","3873.2","0.6","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu1.5 F18 N4 O8 -","- C28 H24 Cu1.5 F18 N4 O8 -","- C112 H96 Cu6 F72 N16 O32 -","4","1","","Victor I. Ovcharenko; Sergey V. Fokin; Elvina T. Kostina; Galina V. Romanenko; Artem S. Bogomyakov; Eugene V. Tretyakov","First Example of a Reversible Single-Crystal-to-Single-Crystal Polymerization-Depolymerization Accompanied by a Magnetic Anomaly for a Transition-Metal Complex with an Organic Radical","Inorganic Chemistry","2012","51","","12188","12194","10.1021/ic301328x","","","0.71073","MoKα","","0.0727","0.0367","","","0.0817","0.0916","","","","","","0.852","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331007","10.5204","0.0006","12.7204","0.0007","13.2698","0.0009","106.207","0.005","105.279","0.005","110.881","0.004","1457.02","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H56 Cu1.35 F6 N12 O8 S2 -","- C60 H56 Cu1.351 F6 N12 O8 S2 -","- C60 H56 Cu1.351 F6 N12 O8 S2 -","1","0.5","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.1553","0.1004","","","0.2655","0.2907","","","","","","1.055","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331008","10.4711","0.0016","12.6057","0.0016","13.248","0.002","104.122","0.011","106.123","0.011","110.913","0.01","1450","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H56 Cu2 F6 N12 O8 S2 -","- C60 H56 Cu2 F6 N12 O8 S2 -","- C60 H56 Cu2 F6 N12 O8 S2 -","1","0.5","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.0677","0.0504","","","0.1226","0.1302","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331009","10.4478","0.0004","12.4479","0.0006","12.9268","0.0006","106.35","0.004","103.954","0.003","109.044","0.003","1418.41","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H56 Cu2.09 F12 N12 O2 P2 -","- C58 H56 Cu2.0001 F12 N12 O2 P2 -","- C58 H56 Cu2.0001 F12 N12 O2 P2 -","1","0.5","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.0579","0.0473","","","0.1199","0.125","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331010","10.4634","0.0009","12.8412","0.0001","12.8581","0.0001","104.139","0.0001","105.106","0.0009","110.518","0.0009","1450.54","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H56 Cu F12 N12 O2 P2 -","- C58 H56 Cu F12 N12 O2 P2 -","- C58 H56 Cu F12 N12 O2 P2 -","1","0.5","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.0698","0.0476","","","0.1089","0.1186","","","","","","0.984","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331011","10.8488","0.001","21.8798","0.0012","24.157","0.003","90","","94.864","0.008","90","","5713.5","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C58 H51 Cu F6 N11 O8 S2 -","- C58 H51 Cu F6 N11 O8 S2 -","- C232 H204 Cu4 F24 N44 O32 S8 -","4","1","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.0376","0.0349","","","0.0823","0.0834","","","","","","1.007","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331012","11.0535","0.0005","17.6171","0.0013","33.4948","0.0019","90","","91.046","0.004","90","","6521.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H63 Cu2 F6 N11 O11 S2 -","- C62 H63 Cu2 F6 N11 O11 S2 -","- C248 H252 Cu8 F24 N44 O44 S8 -","4","1","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.0762","0.059","","","0.1425","0.1508","","","","","","1.083","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331013","7.632","0.0003","13.202","0.0007","31.5","0.0013","91.018","0.004","94.906","0.003","105.248","0.004","3048.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H54 Cu2 F6 N12 O10 S2 -","- C60 H54 Cu2 F6 N12 O10 S2 -","- C120 H108 Cu4 F12 N24 O20 S4 -","2","1","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.1123","0.083","","","0.211","0.2338","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331014","27.2617","0.0017","10.6304","0.0005","19.5032","0.0009","90","","100.914","0.004","90","","5549.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C110 H103 Cu2 F24 N21 O4 P4 -","- C110 H103 Cu2 F24 N21 O4 P4 -","- C220 H206 Cu4 F48 N42 O8 P8 -","2","0.5","","Aline Arnold; Christian Limberg; Ramona Metzinger","Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity","Inorganic Chemistry","2012","51","","12210","12217","10.1021/ic301391s","","","0.71073","MoKα","","0.0606","0.0496","","","0.1253","0.1315","","","","","","1.028","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331015","12.1997","0.001","16.2486","0.0017","22.6444","0.0024","90","","99.3007","0.0051","90","","4429.7","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 F18 Gd N2 O11 P -","- C32 H29 F18 Gd N2 O11 P -","- C128 H116 F72 Gd4 N8 O44 P4 -","4","1","","Fabrice Pointillart; Kevin Bernot; Giordano Poneti; Roberta Sessoli","Crystal Packing Effects on the Magnetic Slow Relaxation of Tb(III)-Nitronyl Nitroxide Radical Cyclic Dinuclear Clusters","Inorganic Chemistry","2012","51","","12218","12229","10.1021/ic301394x","","","0.71073","MoKα","","0.1589","0.1208","","","0.2919","0.3126","","","","","","1.141","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331016","12.1688","0.0009","22.7303","0.0017","16.45","0.0012","90","","90.6503","0.0031","90","","4549.8","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl2 F18 N2 O11 P Tb -","- C33 H31 Cl2 F18 N2 O11 P Tb -","- C132 H124 Cl8 F72 N8 O44 P4 Tb4 -","4","1","","Fabrice Pointillart; Kevin Bernot; Giordano Poneti; Roberta Sessoli","Crystal Packing Effects on the Magnetic Slow Relaxation of Tb(III)-Nitronyl Nitroxide Radical Cyclic Dinuclear Clusters","Inorganic Chemistry","2012","51","","12218","12229","10.1021/ic301394x","","","0.71073","MoKα","","0.108","0.0658","","","0.177","0.2073","","","","","","1.081","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331017","12.6405","0.0008","18.8158","0.0012","20.4054","0.0013","102.951","0.0023","104.676","0.0022","105.119","0.0022","4308","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H58 F36 N4 O22 P2 Tb2 -","- C64 H57 F36 N4 O22 P2 Tb2 -","- C128 H114 F72 N8 O44 P4 Tb4 -","2","1","","Fabrice Pointillart; Kevin Bernot; Giordano Poneti; Roberta Sessoli","Crystal Packing Effects on the Magnetic Slow Relaxation of Tb(III)-Nitronyl Nitroxide Radical Cyclic Dinuclear Clusters","Inorganic Chemistry","2012","51","","12218","12229","10.1021/ic301394x","","","0.71073","MoKα","","0.0876","0.0546","","","0.1351","0.1729","","","","","","1.094","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331018","12.6338","0.0003","18.8107","0.0005","20.4124","0.0005","103","0.0012","104.478","0.0012","105.232","0.0012","4307.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H58 Dy2 F36 N4 O22 P2 -","- C64 H58 Dy2 F36 N4 O22 P2 -","- C128 H116 Dy4 F72 N8 O44 P4 -","2","1","","Fabrice Pointillart; Kevin Bernot; Giordano Poneti; Roberta Sessoli","Crystal Packing Effects on the Magnetic Slow Relaxation of Tb(III)-Nitronyl Nitroxide Radical Cyclic Dinuclear Clusters","Inorganic Chemistry","2012","51","","12218","12229","10.1021/ic301394x","","","0.71073","MoKα","","0.0644","0.0429","","","0.1141","0.1394","","","","","","1.05","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331019","12.2032","0.0002","12.6534","0.0002","18.2778","0.0003","110.107","0.002","90.759","0.001","112.695","0.001","2410.17","0.08","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H96 N16 O31 Pt Tb4 -","- C84 H96 N16 O31 Pt Tb4 -","- C84 H96 N16 O31 Pt Tb4 -","1","0.5","","Philip A. Smith; Carlos Crawford; Nuquie Beedoe; Zerihun Assefa; Richard E. Sykora","Synthesis, Crystal Structures, and Dual Donor Luminescence Sensitization in Novel Terbium Tetracyanoplatinates","Inorganic Chemistry","2012","51","","12230","12241","10.1021/ic3013975","","","0.71073","MoKα","","0.0415","0.0243","","","0.0455","0.0481","","","","","","0.93","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331020","12.866","0.0002","15.1682","0.0002","13.6899","0.0002","90","","105.55","0.002","90","","2573.85","0.07","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N9 O5 Pt Tb -","- C21 H18 N9 O5 Pt Tb -","- C84 H72 N36 O20 Pt4 Tb4 -","4","1","","Philip A. Smith; Carlos Crawford; Nuquie Beedoe; Zerihun Assefa; Richard E. Sykora","Synthesis, Crystal Structures, and Dual Donor Luminescence Sensitization in Novel Terbium Tetracyanoplatinates","Inorganic Chemistry","2012","51","","12230","12241","10.1021/ic3013975","","","0.71073","MoKα","","0.023","0.0159","","","0.0289","0.0295","","","","","","0.918","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331021","13.3306","0.0002","15.9508","0.0002","24.4272","0.0004","90","","90","","90","","5194.05","0.13","290","2","290","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H22 N8 O8.5 Pt Tb -","- C19 H15 N8 O8.5 Pt Tb -","- C152 H120 N64 O68 Pt8 Tb8 -","8","1","","Philip A. Smith; Carlos Crawford; Nuquie Beedoe; Zerihun Assefa; Richard E. Sykora","Synthesis, Crystal Structures, and Dual Donor Luminescence Sensitization in Novel Terbium Tetracyanoplatinates","Inorganic Chemistry","2012","51","","12230","12241","10.1021/ic3013975","","","0.71073","MoKα","","0.0287","0.0211","","","0.0432","0.0442","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331022","13.3631","0.0003","16.0393","0.0002","24.036","0.0005","90","","90","","90","","5151.75","0.17","290","2","290","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C19 H19 Cl N8 O7.5 Pt Tb -","- C19 H14 Cl N8 O7.5 Pt Tb -","- C152 H112 Cl8 N64 O60 Pt8 Tb8 -","8","1","","Philip A. Smith; Carlos Crawford; Nuquie Beedoe; Zerihun Assefa; Richard E. Sykora","Synthesis, Crystal Structures, and Dual Donor Luminescence Sensitization in Novel Terbium Tetracyanoplatinates","Inorganic Chemistry","2012","51","","12230","12241","10.1021/ic3013975","","","0.71073","MoKα","","0.0334","0.0229","","","0.0573","0.0591","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331023","12.0947","0.0002","12.743","0.0003","18.679","0.0003","92.848","0.002","92.169","0.002","118.076","0.002","2530.82","0.1","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 N10 O16 Pt Tb2 -","- C42 H50 N10 O16 Pt Tb2 -","- C84 H100 N20 O32 Pt2 Tb4 -","2","1","","Philip A. Smith; Carlos Crawford; Nuquie Beedoe; Zerihun Assefa; Richard E. Sykora","Synthesis, Crystal Structures, and Dual Donor Luminescence Sensitization in Novel Terbium Tetracyanoplatinates","Inorganic Chemistry","2012","51","","12230","12241","10.1021/ic3013975","","","0.71073","MoKα","","0.0218","0.0165","","","0.0381","0.0387","","","","","","0.994","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331024","14.537","0.003","10.492","0.002","23.403","0.005","90","","107.32","0.03","90","","3407.6","1.3","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21.5 H12.5 Dy O8 P -","- C21.5 H12.5 Dy O8 P -","- C86 H50 Dy4 O32 P4 -","4","1","","Ilich A. Ibarra; Ji Woong Yoon; Jong-San Chang; Su Kyoung Lee; Vincent M. Lynch; Simon M. Humphrey","Organic Vapor Sorption in a High Surface Area Dysprosium(III)-Phosphine Oxide Coordination Material","Inorganic Chemistry","2012","51","","12242","12247","10.1021/ic301415p","","","0.71073","MoKα","","0.0827","0.0569","","","0.1367","0.1462","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331025","13.1237","0.0006","22.6268","0.0008","8.3711","0.0003","90","","97.503","0.004","90","","2464.49","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cu I N4 O2 S2 -","- C21 H28 Cu I N4 O2 S2 -","- C84 H112 Cu4 I4 N16 O8 S8 -","4","1","","K. Paizanos; D. Charalampou; N. Kourkoumelis; D. Kalpogiannaki; L. Hadjiarapoglou; A. Spanopoulou; K. Lazarou; M. J. Manos; A. J. Tasiopoulos; M. Kubicki; S. K. Hadjikakou","Synthesis and Structural Characterization of New Cu(I) Complexes with the Antithyroid Drug 6-n-Propyl-thiouracil. Study of the Cu(I)-Catalyzed Intermolecular Cycloaddition of Iodonium Ylides toward Benzo[b]furans with Pharmaceutical Implementations","Inorganic Chemistry","2012","51","","12248","12259","10.1021/ic3014255","","","0.71073","MoKα","","0.11","0.0622","","","0.1367","0.1565","","","","","","0.972","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331026","10.8524","0.0004","12.7124","0.0005","15.3797","0.0005","79.442","0.003","81.971","0.003","69.267","0.004","1944.31","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H40 Cu I N2 O P2 S -","- C43 H40 Cu I N2 O P2 S -","- C86 H80 Cu2 I2 N4 O2 P4 S2 -","2","1","","K. Paizanos; D. Charalampou; N. Kourkoumelis; D. Kalpogiannaki; L. Hadjiarapoglou; A. Spanopoulou; K. Lazarou; M. J. Manos; A. J. Tasiopoulos; M. Kubicki; S. K. Hadjikakou","Synthesis and Structural Characterization of New Cu(I) Complexes with the Antithyroid Drug 6-n-Propyl-thiouracil. Study of the Cu(I)-Catalyzed Intermolecular Cycloaddition of Iodonium Ylides toward Benzo[b]furans with Pharmaceutical Implementations","Inorganic Chemistry","2012","51","","12248","12259","10.1021/ic3014255","","","0.71073","MoKα","","0.0368","0.0272","","","0.0598","0.0631","","","","","","1.041","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331027","11.5843","0.0008","14.6751","0.001","15.0047","0.0009","80.494","0.005","82.354","0.005","72.311","0.006","2387.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H52 Cu I N2 O P2 S -","- C49 H52 Cu I N2 O P2 S -","- C98 H104 Cu2 I2 N4 O2 P4 S2 -","2","1","","K. Paizanos; D. Charalampou; N. Kourkoumelis; D. Kalpogiannaki; L. Hadjiarapoglou; A. Spanopoulou; K. Lazarou; M. J. Manos; A. J. Tasiopoulos; M. Kubicki; S. K. Hadjikakou","Synthesis and Structural Characterization of New Cu(I) Complexes with the Antithyroid Drug 6-n-Propyl-thiouracil. Study of the Cu(I)-Catalyzed Intermolecular Cycloaddition of Iodonium Ylides toward Benzo[b]furans with Pharmaceutical Implementations","Inorganic Chemistry","2012","51","","12248","12259","10.1021/ic3014255","","","0.71073","MoKα","","0.1034","0.0816","","","0.2311","0.2437","","","","","","1.074","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331028","24.4463","0.0006","13.9088","0.0003","20.2168","0.0005","90","","111.241","0.003","90","","6407.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cu2 I2 Sb4 -","- C72 H60 Cu2 I2 Sb4 -","- C288 H240 Cu8 I8 Sb16 -","4","1","","K. Paizanos; D. Charalampou; N. Kourkoumelis; D. Kalpogiannaki; L. Hadjiarapoglou; A. Spanopoulou; K. Lazarou; M. J. Manos; A. J. Tasiopoulos; M. Kubicki; S. K. Hadjikakou","Synthesis and Structural Characterization of New Cu(I) Complexes with the Antithyroid Drug 6-n-Propyl-thiouracil. Study of the Cu(I)-Catalyzed Intermolecular Cycloaddition of Iodonium Ylides toward Benzo[b]furans with Pharmaceutical Implementations","Inorganic Chemistry","2012","51","","12248","12259","10.1021/ic3014255","","","0.71073","MoKα","","0.0312","0.022","","","0.0466","0.048","","","","","","1.047","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331029","10.3675","0.0004","20.5572","0.0006","11.7116","0.0004","90","","105.64","0.004","90","","2403.64","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H45 Cu2 I2 P3 -","- C54 H45 Cu2 I2 P3 -","- C108 H90 Cu4 I4 P6 -","2","1","","K. Paizanos; D. Charalampou; N. Kourkoumelis; D. Kalpogiannaki; L. Hadjiarapoglou; A. Spanopoulou; K. Lazarou; M. J. Manos; A. J. Tasiopoulos; M. Kubicki; S. K. Hadjikakou","Synthesis and Structural Characterization of New Cu(I) Complexes with the Antithyroid Drug 6-n-Propyl-thiouracil. Study of the Cu(I)-Catalyzed Intermolecular Cycloaddition of Iodonium Ylides toward Benzo[b]furans with Pharmaceutical Implementations","Inorganic Chemistry","2012","51","","12248","12259","10.1021/ic3014255","","","0.71073","MoKα","","0.0715","0.0488","","","0.0656","0.0723","","","","","","0.971","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331030","20.894","0.003","20.894","0.003","73.811","0.015","90","","90","","90","","32223","9","100","2","100","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","SU-67","","","- C20 H68 Ge25 N8 O60 -","- C16.33 H55.252 Ge25 N7.332 O60 -","- C261.28 H884.032 Ge400 N117.312 O960 -","16","0.5","","Huijuan Yue; Maxim V. Peskov; Junliang Sun; Xiaodong Zou","Complex Open-Framework Germanate Built by 8-Coordinated Ge10 Clusters","Inorganic Chemistry","2012","51","","12260","12265","10.1021/ic301449y","","","0.9077","synchrotron","","0.1502","0.0828","","","0.1458","0.1578","","","","","","1.014","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331031","9.7162","0.0011","15.21","0.002","32.723","0.005","91.598","0.005","90.01","0.006","90.025","0.005","4834","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Octakis(3-(propyl)-1,2-benzisothiazole-1,1-dioxide)octasilsesquioxane","","- C100 H76 N10 O45 S10 Si10 -","- C80 H81 N8 O36 S8 Si8 -","- C160 H162 N16 O72 S16 Si16 -","2","1","","Thapakorn Jaroentomeechai; Pa-kwan Yingsukkamol; Chuttree Phurat; Ekasith Somsook; Tanakorn Osotchan; Vuthichai Ervithayasuporn","Synthesis and Reactivity of Nitrogen Nucleophiles-Induced Cage-Rearrangement Silsesquioxanes","Inorganic Chemistry","2012","51","","12266","12272","10.1021/ic3015145","","","0.71073","MoKα","","0.3815","0.0907","","","","0.2267","","","","","","0.927","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331032","10.763","0.004","10.764","0.004","18.756","0.007","74.707","0.008","87.171","0.008","89.759","0.008","2093.4","1.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Co3 N4 O15 Yb -","- C35 H43 Cl2 Co3 N4 O15 Yb -","- C70 H86 Cl4 Co6 N8 O30 Yb2 -","2","1","","Pei Wang; Santiranjan Shannigrahi; Nikolai L. Yakovlev; T. S. Andy Hor","General One-Step Self-Assembly of Isostructural Intermetallic CoII3LnIII Cubane Aggregates","Inorganic Chemistry","2012","51","","12059","12061","10.1021/ic301527b","","","0.71073","MoKα","","0.0537","0.0485","","","0.125","0.1278","","","","","","1.138","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331033","10.8344","0.0009","10.8899","0.0009","18.9822","0.0016","75.035","0.002","87.23","0.002","88.971","0.002","2161.1","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Co3 Er N4 O15 -","- C35 H43 Cl2 Co3 Er N4 O15 -","- C70 H86 Cl4 Co6 Er2 N8 O30 -","2","1","","Pei Wang; Santiranjan Shannigrahi; Nikolai L. Yakovlev; T. S. Andy Hor","General One-Step Self-Assembly of Isostructural Intermetallic CoII3LnIII Cubane Aggregates","Inorganic Chemistry","2012","51","","12059","12061","10.1021/ic301527b","","","0.71073","MoKα","","0.1042","0.0793","","","0.175","0.1859","","","","","","1.107","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331034","10.7677","0.0012","10.78","0.0012","18.811","0.002","87.232","0.002","74.836","0.002","89.638","0.002","2105","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Co3 Ho N4 O15 -","- C35 H43 Cl2 Co3 Ho N4 O15 -","- C70 H86 Cl4 Co6 Ho2 N8 O30 -","2","1","","Pei Wang; Santiranjan Shannigrahi; Nikolai L. Yakovlev; T. S. Andy Hor","General One-Step Self-Assembly of Isostructural Intermetallic CoII3LnIII Cubane Aggregates","Inorganic Chemistry","2012","51","","12059","12061","10.1021/ic301527b","","","0.71073","MoKα","","0.0598","0.0487","","","0.1195","0.1271","","","","","","1.114","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331035","10.757","0.0015","10.7645","0.0015","18.886","0.003","74.582","0.003","87.453","0.003","88.803","0.003","2106","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Co3 Dy N4 O15 -","- C35 H43 Cl2 Co3 Dy N4 O15 -","- C70 H86 Cl4 Co6 Dy2 N8 O30 -","2","1","","Pei Wang; Santiranjan Shannigrahi; Nikolai L. Yakovlev; T. S. Andy Hor","General One-Step Self-Assembly of Isostructural Intermetallic CoII3LnIII Cubane Aggregates","Inorganic Chemistry","2012","51","","12059","12061","10.1021/ic301527b","","","0.71073","MoKα","","0.0685","0.0602","","","0.1673","0.1748","","","","","","1.079","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331036","10.737","0.003","10.845","0.003","18.781","0.005","74.795","0.005","87.304","0.005","89.588","0.005","2108","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Co3 N4 O15 Tm -","- C35 H43 Cl2 Co3 N4 O15 Tm -","- C70 H86 Cl4 Co6 N8 O30 Tm2 -","2","1","","Pei Wang; Santiranjan Shannigrahi; Nikolai L. Yakovlev; T. S. Andy Hor","General One-Step Self-Assembly of Isostructural Intermetallic CoII3LnIII Cubane Aggregates","Inorganic Chemistry","2012","51","","12059","12061","10.1021/ic301527b","","","0.71073","MoKα","","0.0692","0.0619","","","0.1703","0.1746","","","","","","1.097","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331037","10.7835","0.001","10.7971","0.001","18.7983","0.0018","105.025","0.001","92.891","0.002","90.056","0.002","2111","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Co3 N4 O15 Y -","- C35 H43 Cl2 Co3 N4 O15 Y -","- C70 H86 Cl4 Co6 N8 O30 Y2 -","2","1","","Pei Wang; Santiranjan Shannigrahi; Nikolai L. Yakovlev; T. S. Andy Hor","General One-Step Self-Assembly of Isostructural Intermetallic CoII3LnIII Cubane Aggregates","Inorganic Chemistry","2012","51","","12059","12061","10.1021/ic301527b","","","0.71073","MoKα","","0.0551","0.043","","","0.103","0.1091","","","","","","1.052","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331038","27.8996","0.0002","13.1692","0.0001","18.3471","0.0002","90","","110.83","0.001","90","","6300.41","0.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cr(2,2bipy)(mes)2*1.5C6H6","","- C37 H39 Cr N2 -","- C37 H39 Cr N2 -","- C296 H312 Cr8 N16 -","8","1","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0585","0.0468","","","0.1253","0.1346","","","","","","1.037","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331039","12.0845","0.0005","13.8358","0.0006","14.8944","0.0006","90","","102.445","0.002","90","","2431.81","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mn(2,2'-bipy)(mes)2","","- C28 H30 Mn N2 -","- C28 H30 Mn N2 -","- C112 H120 Mn4 N8 -","4","1","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.074","0.0516","","","0.132","0.1434","","","","","","1.032","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331040","10.7358","0.0001","14.5102","0.0001","17.9942","0.0001","90","","90","","90","","2803.11","0.04","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Co(2,2bipy)(mes)2*THF","","- C32 H38 Co N2 O -","- C32 H38 Co N2 O -","- C128 H152 Co4 N8 O4 -","4","0.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0504","0.0437","","","0.125","0.1316","","","","","","1.064","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331041","14.2207","0.0002","13.7416","0.0002","29.9804","0.0005","90","","107.561","0.001","90","","5585.59","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[K(dibenzo-18-crown-6)THF][Cr(2,2'-bipy)(Mes)2]*2THF","","- C60 H78 Cr K N2 O9 -","- C60 H78 Cr K N2 O9 -","- C240 H312 Cr4 K4 N8 O36 -","4","1","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0889","0.0504","","","0.1128","0.1246","","","","","","0.996","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331042","13.084","0.0002","32.191","0.0004","23.151","0.0003","90","","90","","90","","9750.9","0.2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","[K(18-crown-6)(THF)2][Mn(2,2'bipy)(C9H11)2]","","- C48 H70 K Mn N2 O8 -","- C48 H70 K Mn N2 O8 -","- C384 H560 K8 Mn8 N16 O64 -","8","0.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.6889","synchrotron","","0.0507","0.0432","","","0.1089","0.1156","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331043","13.306","0.0001","24.1421","0.0002","43.8747","0.0004","90","","94.833","0.001","90","","14044","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[K(18-crown-6)][Mn(2,2'-bipy)(mes)2]*0.67py*0.67tol","","- C48 H62.67 K Mn N2.67 O6 -","- C48 H62.6667 K Mn N2.66667 O6 -","- C576 H752 K12 Mn12 N32 O72 -","12","1.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0752","0.0444","","","0.0931","0.104","","","","","","1.017","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331044","12.8822","0.0001","12.8822","0.0001","27.3451","0.0002","90","","90","","90","","4537.95","0.06","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","[K(2,2,2-crypt)][Co(2,2'-bipy)(Mes)2]","","- C46 H66 Co K N4 O6 -","- C46 H66 Co K N4 O6 -","- C184 H264 Co4 K4 N16 O24 -","4","0.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0329","0.0281","","","0.0718","0.0738","","","","","","1.025","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331045","12.9305","0.0002","12.9305","0.0002","27.1526","0.0008","90","","90","","90","","4539.86","0.17","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","[K(2,2,2-crypt)][Ni(2,2'-bipy)(Mes)2]","","- C46 H66 K N4 Ni O6 -","- C46 H66 K N4 Ni O6 -","- C184 H264 K4 N16 Ni4 O24 -","4","0.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0423","0.0338","","","0.0798","0.0839","","","","","","1.027","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331046","8.0923","0.0011","11.357","0.0013","12.7166","0.0017","100.005","0.004","90.79","0.003","110.572","0.008","1074","0.2","223","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H25 F6 Ir N O P -","- C18 H25 F6 Ir N O P -","- C36 H50 F12 Ir2 N2 O2 P2 -","2","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","0.71075","MoKα","","","0.0432","","","","0.0659","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331047","16.3596","0.0012","15.4413","0.0003","14.6362","0.0003","90","","112.699","0.008","90","","3410.9","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H45 B Ir N O -","- C42 H45 B Ir N O -","- C168 H180 B4 Ir4 N4 O4 -","4","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","1.54187","CuKα","","","0.0356","","","","0.0889","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331048","12.6701","0.0012","12.9965","0.0012","16.9027","0.0016","90","","99.222","0.003","90","","2747.3","0.4","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 F6 Ir N O4 P -","- C21 H37 F6 Ir N O4 P -","- C84 H148 F24 Ir4 N4 O16 P4 -","4","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","0.71075","MoKα","","","0.0449","","","","0.094","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331049","8.525","0.0009","20.792","0.002","13.5964","0.0014","90","","98.695","0.003","90","","2382.3","0.4","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 F6 Ir N O3 P -","- C19 H27 F6 Ir N O3 P -","- C76 H108 F24 Ir4 N4 O12 P4 -","4","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","0.71075","MoKα","","","0.0399","","","","0.0641","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331050","10.5483","0.001","12.4161","0.0011","21.8014","0.0019","90","","91.432","0.006","90","","2854.4","0.4","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 F6 Ir N2 O2 P -","- C26 H34 F6 Ir N2 O2 P -","- C104 H136 F24 Ir4 N8 O8 P4 -","4","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","0.71075","MoKα","","","0.0489","","","","0.087","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331051","7.9352","0.0015","18.617","0.004","16.983","0.003","90","","98.978","0.004","90","","2478.2","0.8","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 F6 Ir N O3 P -","- C20 H29 F6 Ir N O3 P -","- C80 H116 F24 Ir4 N4 O12 P4 -","4","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","0.71075","MoKα","","","0.0467","","","","0.0791","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331052","18.578","0.006","20.34","0.006","24.619","0.007","90","","112.035","0.008","90","","8623","5","223","","223","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H51 Cl F12 Ir2 N2 O2 P2 -","- C36 H51 Cl F12 Ir2 N2 O2 P2 -","- C288 H408 Cl8 F96 Ir16 N16 O16 P16 -","8","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","0.71075","MoKα","","","0.0683","","","","0.103","","","","","","1.139","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331053","18.578","0.0003","13.3039","0.0002","22.7037","0.0016","90","","110.182","0.008","90","","5266.9","0.5","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H68 F12 Ir2 N2 O2 P2 -","- C50 H68 F12 Ir2 N2 O2 P2 -","- C200 H272 F48 Ir8 N8 O8 P8 -","4","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","1.54187","CuKα","","","0.0524","","","","0.132","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331054","8.14463","0.00015","10.9211","0.0002","8.7179","0.0006","90","","107.018","0.008","90","","741.49","0.06","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","","Nathan D. Schley; Stéphanie Halbert; Christophe Raynaud; Odile Eisenstein; Robert H. Crabtree","Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer","Inorganic Chemistry","2012","51","","12313","12323","10.1021/ic301601c","","","1.54187","CuKα","","","0.0314","","","","0.0799","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331055","9.2105","0.0009","13.5475","0.001","31.361","0.002","90","","90","","90","","3913.2","0.5","200","2","200","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","","","","- C32 H38 F12 N6 Ni O6 P2 -","- C32 H38 F12 N6 Ni O6 P2 -","- C128 H152 F48 N24 Ni4 O24 P8 -","4","1","","Mihail Atanasov; Peter Comba; Stefan Helmle; Dennis Müller; Frank Neese","Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII-Bispidine Complexes","Inorganic Chemistry","2012","51","","12324","12335","10.1021/ic3016047","","x-ray","0.71073","MoKα","","0.0843","0.0668","","","0.1857","0.1988","","","","","","1.001","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331056","12.1423","0.0018","18.639","0.003","19.258","0.003","109.229","0.015","95.952","0.017","99.479","0.017","4000.3","1.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 F12 N6 Ni O7.5 P2 -","- C30 H34 F12 N6 Ni O7.5 P2 -","- C120 H136 F48 N24 Ni4 O30 P8 -","4","2","","Mihail Atanasov; Peter Comba; Stefan Helmle; Dennis Müller; Frank Neese","Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII-Bispidine Complexes","Inorganic Chemistry","2012","51","","12324","12335","10.1021/ic3016047","","x-ray","0.71073","MoKα","","0.2148","0.066","","","0.1233","0.1713","","","","","","0.738","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331057","11.6877","0.0016","14.3209","0.0014","19.184","0.003","90","","104.861","0.017","90","","3103.6","0.8","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 F6 N4 Ni O9 P -","- C25 H33 F6 N4 Ni O9 P -","- C100 H132 F24 N16 Ni4 O36 P4 -","4","1","","Mihail Atanasov; Peter Comba; Stefan Helmle; Dennis Müller; Frank Neese","Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII-Bispidine Complexes","Inorganic Chemistry","2012","51","","12324","12335","10.1021/ic3016047","","x-ray","0.71073","MoKα","","0.1244","0.0457","","","0.0947","0.1177","","","","","","0.77","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331058","11.1368","0.0014","15.4443","0.0015","18.633","0.002","90","","76.4","0.014","90","","3115","0.6","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 F12 N4 Ni O8 P2 -","- C23 H32 F12 N4 Ni O8 P2 -","- C92 H128 F48 N16 Ni4 O32 P8 -","4","1","","Mihail Atanasov; Peter Comba; Stefan Helmle; Dennis Müller; Frank Neese","Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII-Bispidine Complexes","Inorganic Chemistry","2012","51","","12324","12335","10.1021/ic3016047","","x-ray","0.71073","MoKα","","0.1392","0.0514","","","0.1131","0.1298","","","","","","0.777","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331059","10.4632","0.001","30.745","0.004","11.2314","0.0012","90","","86.166","0.012","90","","3605","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 F12 N5 Ni O8 P2 -","- C28 H33 F12 N5 Ni O8 P2 -","- C112 H132 F48 N20 Ni4 O32 P8 -","4","1","","Mihail Atanasov; Peter Comba; Stefan Helmle; Dennis Müller; Frank Neese","Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII-Bispidine Complexes","Inorganic Chemistry","2012","51","","12324","12335","10.1021/ic3016047","","x-ray","0.71073","MoKα","","0.1382","0.0759","","","0.1926","0.2232","","","","","","0.862","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331060","9.0882","0.0012","12.7673","0.0019","13.0343","0.0017","74.223","0.016","87.444","0.016","84.492","0.017","1448.4","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N6 Ni O12 -","- C23 H28 N6 Ni O12 -","- C46 H56 N12 Ni2 O24 -","2","1","","Mihail Atanasov; Peter Comba; Stefan Helmle; Dennis Müller; Frank Neese","Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII-Bispidine Complexes","Inorganic Chemistry","2012","51","","12324","12335","10.1021/ic3016047","","x-ray","0.71073","MoKα","","0.097","0.062","","","0.1709","0.1868","","","","","","0.876","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331061","12.2938","0.0003","13.0681","0.0004","16.1517","0.0004","90","","95.0979","0.0017","90","","2584.61","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 O6 P W -","- C27 H23 O6 P W -","- C108 H92 O24 P4 W4 -","4","1","","Vitaly Nesterov; Gregor Schnakenburg; Arturo Espinosa; Rainer Streubel","Synthesis and Reactions of the First Room Temperature Stable Li/Cl Phosphinidenoid Complex","Inorganic Chemistry","2012","51","","12343","12349","10.1021/ic301652u","","","0.71073","MoKα","","0.0283","0.0236","","","0.0565","0.0581","","","","","","1.046","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331062","10.0399","0.0004","10.6514","0.0005","12.3702","0.0004","96.509","0.002","90.741","0.002","104.582","0.002","1270.81","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 Cl2 O6 P W -","- C25 H15 Cl2 O6 P W -","- C50 H30 Cl4 O12 P2 W2 -","2","1","","Vitaly Nesterov; Gregor Schnakenburg; Arturo Espinosa; Rainer Streubel","Synthesis and Reactions of the First Room Temperature Stable Li/Cl Phosphinidenoid Complex","Inorganic Chemistry","2012","51","","12343","12349","10.1021/ic301652u","","","0.71073","MoKα","","0.0507","0.041","","","0.0944","0.0977","","","","","","1.01","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331063","7.7071","0.0002","9.4151","0.0002","32.6342","0.0005","90","","94.84","0.02","90","","2359.6","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl2 O5 P W -","- C24 H15 Cl2 O5 P W -","- C96 H60 Cl8 O20 P4 W4 -","4","1","","Vitaly Nesterov; Gregor Schnakenburg; Arturo Espinosa; Rainer Streubel","Synthesis and Reactions of the First Room Temperature Stable Li/Cl Phosphinidenoid Complex","Inorganic Chemistry","2012","51","","12343","12349","10.1021/ic301652u","","","0.71073","MoKα","","0.022","0.0195","","","0.0419","0.0428","","","","","","1.028","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331064","18.6553","0.0006","9.4464","0.0003","16.6844","0.0005","90","","113.335","0.001","90","","2699.72","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 O6 P W -","- C31 H21 O6 P W -","- C124 H84 O24 P4 W4 -","4","1","","Vitaly Nesterov; Gregor Schnakenburg; Arturo Espinosa; Rainer Streubel","Synthesis and Reactions of the First Room Temperature Stable Li/Cl Phosphinidenoid Complex","Inorganic Chemistry","2012","51","","12343","12349","10.1021/ic301652u","","","0.71073","MoKα","","0.0242","0.0194","","","0.0434","0.0453","","","","","","1.014","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331065","21.267","0.002","11.483","0.0013","26.049","0.003","90","","111.875","0.002","90","","5903.4","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H95 Fe N10 O6 -","- C54 H83 Fe N10 O6 -","- C216 H332 Fe4 N40 O24 -","4","2","","Anangamohan Panja; Philippe Guionneau; Ie-Rang Jeon; Stephen M. Holmes; Rodolphe Clérac; Corine Mathonière","Syntheses, Structures, and Magnetic Properties of a Novel mer-[(bbp)FeIII(CN)3]2- Building Block (bbp: bis(2-benzimidazolyl)pyridine dianion) and Its Related Heterobimetallic Fe(III)-Ni(II) Complexes","Inorganic Chemistry","2012","51","","12350","12359","10.1021/ic301661x","","","0.71073","MoKα","","0.1395","0.0846","","","0.2127","0.2525","","","","","","1.028","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331066","35.3745","0.0009","10.9831","0.0003","26.0947","0.0006","90","","128.758","0.001","90","","7905.9","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H38.5 Cl Fe0.5 N11 Ni O7 -","- C38 H38.5 Cl Fe0.5 N11 Ni O7 -","- C304 H308 Cl8 Fe4 N88 Ni8 O56 -","8","1","","Anangamohan Panja; Philippe Guionneau; Ie-Rang Jeon; Stephen M. Holmes; Rodolphe Clérac; Corine Mathonière","Syntheses, Structures, and Magnetic Properties of a Novel mer-[(bbp)FeIII(CN)3]2- Building Block (bbp: bis(2-benzimidazolyl)pyridine dianion) and Its Related Heterobimetallic Fe(III)-Ni(II) Complexes","Inorganic Chemistry","2012","51","","12350","12359","10.1021/ic301661x","","","0.71073","MoKα","","0.0867","0.0555","","","0.1524","0.1777","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331067","11.5607","0.0002","23.8142","0.0006","13.4756","0.0003","90","","105.207","0.001","90","","3580.05","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H82 Fe2 N24 Ni2 O7 -","- C63 H82 Fe2 N24 Ni2 O7 -","- C126 H164 Fe4 N48 Ni4 O14 -","2","0.5","","Anangamohan Panja; Philippe Guionneau; Ie-Rang Jeon; Stephen M. Holmes; Rodolphe Clérac; Corine Mathonière","Syntheses, Structures, and Magnetic Properties of a Novel mer-[(bbp)FeIII(CN)3]2- Building Block (bbp: bis(2-benzimidazolyl)pyridine dianion) and Its Related Heterobimetallic Fe(III)-Ni(II) Complexes","Inorganic Chemistry","2012","51","","12350","12359","10.1021/ic301661x","","","0.71073","MoKα","","0.0775","0.0439","","","0.1067","0.1201","","","","","","1.036","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331068","19.1754","0.0003","19.2606","0.0004","26.2796","0.0005","90","","91.893","0.001","90","","9700.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C147 H236 Fe4 N48 Ni4 O22 -","- C147 H236 Fe4 N48 Ni4 O22 -","- C294 H472 Fe8 N96 Ni8 O44 -","2","0.5","","Anangamohan Panja; Philippe Guionneau; Ie-Rang Jeon; Stephen M. Holmes; Rodolphe Clérac; Corine Mathonière","Syntheses, Structures, and Magnetic Properties of a Novel mer-[(bbp)FeIII(CN)3]2- Building Block (bbp: bis(2-benzimidazolyl)pyridine dianion) and Its Related Heterobimetallic Fe(III)-Ni(II) Complexes","Inorganic Chemistry","2012","51","","12350","12359","10.1021/ic301661x","","","0.71073","MoKα","","0.1465","0.0735","","","0.1997","0.2361","","","","","","1.041","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331069","16.1737","0.0019","8.229","0.0009","15.1638","0.0016","90","","90","","90","","2018.2","0.4","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H21 N9 -","- C21 H21 N9 -","- C84 H84 N36 -","4","1","","Meng-Jung Tsai; Jing-Yun Wu; Ming-Hsi Chiang; Cheng-Hao Huang; Ming-Yu Kuo; Long-Li Lai","Infinite Copper(II) Coordination Architectures from a Resonative Aminotriazine-Derived Tripodal Ligand: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","12360","12371","10.1021/ic3016854","","","0.71073","MoKα","","0.042","0.0333","","","0.0705","0.0739","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331070","9.6725","0.0003","10.2291","0.0003","11.6416","0.0003","111.967","0.001","92.732","0.001","111.581","0.001","970.14","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N9 -","- C21 H21 N9 -","- C42 H42 N18 -","2","1","","Meng-Jung Tsai; Jing-Yun Wu; Ming-Hsi Chiang; Cheng-Hao Huang; Ming-Yu Kuo; Long-Li Lai","Infinite Copper(II) Coordination Architectures from a Resonative Aminotriazine-Derived Tripodal Ligand: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","12360","12371","10.1021/ic3016854","","","0.71073","MoKα","","0.0543","0.037","","","0.0919","0.1049","","","","","","0.816","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331071","7.5069","0.0004","12.5901","0.0007","16.6286","0.0009","88.738","0.003","84.968","0.004","85.381","0.003","1560.29","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl7 Cu3 N9 O2 -","- C23 H28 Cl7 Cu3 N9 O2 -","- C46 H56 Cl14 Cu6 N18 O4 -","2","1","","Meng-Jung Tsai; Jing-Yun Wu; Ming-Hsi Chiang; Cheng-Hao Huang; Ming-Yu Kuo; Long-Li Lai","Infinite Copper(II) Coordination Architectures from a Resonative Aminotriazine-Derived Tripodal Ligand: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","12360","12371","10.1021/ic3016854","","","0.71073","MoKα","","0.1215","0.062","","","0.1476","0.1862","","","","","","1.003","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331072","10.5146","0.0012","25.643","0.003","13.6739","0.0016","90","","107.448","0.007","90","","3517.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 Cu2 N12 O14 -","- C25 H38 Cu2 N12 O14 -","- C100 H152 Cu8 N48 O56 -","4","1","","Meng-Jung Tsai; Jing-Yun Wu; Ming-Hsi Chiang; Cheng-Hao Huang; Ming-Yu Kuo; Long-Li Lai","Infinite Copper(II) Coordination Architectures from a Resonative Aminotriazine-Derived Tripodal Ligand: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","12360","12371","10.1021/ic3016854","","","0.71073","MoKα","","0.098","0.0614","","","0.1645","0.192","","","","","","1.054","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331073","13.179","0.003","15.736","0.003","16.799","0.003","108.48","0.03","91.9","0.03","107.61","0.03","3117.1","1.4","213","2","210","2","","","","","","","Crystals were obtained by recrystallization from MeCN.","8","P -1","-P 1","2","","","","- C64 H89 B N7 Ni2 O2 P S2 -","- C64 H89 B N7 Ni2 O2 P S2 -","- C128 H178 B2 N14 Ni4 O4 P2 S4 -","2","1","","Jochen Lach; Alexander Jeremies; Vasile Lozan; Claudia Loose; Torsten Hahn; Jens Kortus; Berthold Kersting","Stabilization of Hypophosphite in the Binding Pocket of a Dinuclear Macrocyclic Complex: Synthesis, Structure, and Properties of [Ni2L(μ-O2PH2)]BPh4 (L = N6S2 Donor Ligand)","Inorganic Chemistry","2012","51","","12380","12388","10.1021/ic301710b","","","0.71073","MoKα","","0.0987","0.0401","","","0.0828","0.1233","","","","","","0.878","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331074","14.15","0.002","14.266","0.002","14.864","0.003","90","","114.16","0.02","90","","2737.7","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 F3 O3 P S Te -","- C28 H26 F3 O3 P S Te -","- C112 H104 F12 O12 P4 S4 Te4 -","4","1","","Jens Beckmann; Jens Bolsinger; Andrew Duthie; Pamela Finke; Enno Lork; Carsten Lüdtke; Ole Mallow; Stefan Mebs","Mesityltellurenyl Cations Stabilized by Triphenylpnictogens [MesTe(EPh3)]+ (E = P, As, Sb)","Inorganic Chemistry","2012","51","","12395","12406","10.1021/ic3017722","","","0.71073","MoKα","","0.0492","0.0388","","","0.0989","0.1049","","","","","","1.031","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331075","14.588","0.003","11.452","0.003","17.293","0.005","90","","108.07","0.02","90","","2746.5","1.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 As F3 O3 S Te -","- C28 H26 As F3 O3 S Te -","- C112 H104 As4 F12 O12 S4 Te4 -","4","1","","Jens Beckmann; Jens Bolsinger; Andrew Duthie; Pamela Finke; Enno Lork; Carsten Lüdtke; Ole Mallow; Stefan Mebs","Mesityltellurenyl Cations Stabilized by Triphenylpnictogens [MesTe(EPh3)]+ (E = P, As, Sb)","Inorganic Chemistry","2012","51","","12395","12406","10.1021/ic3017722","","","0.71073","MoKα","","0.032","0.0264","","","0.0647","0.0667","","","","","","1.095","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331076","12.492","0.003","13.078","0.003","14.33","0.006","77.8","0.03","84.5","0.03","72.85","0.02","2185.1","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H36 F6 O6 S2 Sb2 Te -","- C41 H36 F6 O6 S2 Sb2 Te -","- C82 H72 F12 O12 S4 Sb4 Te2 -","2","1","","Jens Beckmann; Jens Bolsinger; Andrew Duthie; Pamela Finke; Enno Lork; Carsten Lüdtke; Ole Mallow; Stefan Mebs","Mesityltellurenyl Cations Stabilized by Triphenylpnictogens [MesTe(EPh3)]+ (E = P, As, Sb)","Inorganic Chemistry","2012","51","","12395","12406","10.1021/ic3017722","","","0.71073","MoKα","","0.033","0.0288","","","0.0718","0.0738","","","","","","1.088","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331077","8.5228","0.0007","18.95","0.003","9.0507","0.0012","90","","90","","90","","1461.8","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H10 Bi F3 O3 S -","- C13 H10 Bi F3 O3 S -","- C52 H40 Bi4 F12 O12 S4 -","4","1","","Jens Beckmann; Jens Bolsinger; Andrew Duthie; Pamela Finke; Enno Lork; Carsten Lüdtke; Ole Mallow; Stefan Mebs","Mesityltellurenyl Cations Stabilized by Triphenylpnictogens [MesTe(EPh3)]+ (E = P, As, Sb)","Inorganic Chemistry","2012","51","","12395","12406","10.1021/ic3017722","","","0.71073","MoKα","","0.037","0.0306","","","0.0712","0.0736","","","","","","1.074","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331078","14.1481","0.0006","14.8246","0.0006","9.8662","0.0004","90","","108.243","0.001","90","","1965.33","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu Hg N8 O2 -","- C17 H16 Cu Hg N8 O2 -","- C68 H64 Cu4 Hg4 N32 O8 -","4","1","","Lakshmi Kanta Das; Ramakant M. Kadam; Antonio Bauzá; Antonio Frontera; Ashutosh Ghosh","Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a ""Metalloligand"" [CuL] (H2L =N,N'-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in Solutions, and Theoretical Calculations","Inorganic Chemistry","2012","51","","12407","12418","10.1021/ic301773h","","","0.71073","MoKα","","0.0486","0.0333","","","0.0799","0.0851","","","","","","0.994","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331079","9.488","0.005","9.937","0.005","10.299","0.005","84.893","0.005","65.495","0.005","76.198","0.005","858","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cu2 Hg N10 O4 -","- C34 H32 Cu2 Hg N10 O4 -","- C34 H32 Cu2 Hg N10 O4 -","1","0.5","","Lakshmi Kanta Das; Ramakant M. Kadam; Antonio Bauzá; Antonio Frontera; Ashutosh Ghosh","Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a ""Metalloligand"" [CuL] (H2L =N,N'-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in Solutions, and Theoretical Calculations","Inorganic Chemistry","2012","51","","12407","12418","10.1021/ic301773h","","","0.71073","MoKα","","0.0522","0.0383","","","0.1048","0.1154","","","","","","1.043","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331080","9.9049","0.0009","11.9411","0.0011","14.1966","0.0014","91.463","0.001","101.66","0.001","90.685","0.001","1643.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cd Cu2 N10 O4 -","- C34 H32 Cd Cu2 N10 O4 -","- C68 H64 Cd2 Cu4 N20 O8 -","2","1","","Lakshmi Kanta Das; Ramakant M. Kadam; Antonio Bauzá; Antonio Frontera; Ashutosh Ghosh","Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a ""Metalloligand"" [CuL] (H2L =N,N'-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in Solutions, and Theoretical Calculations","Inorganic Chemistry","2012","51","","12407","12418","10.1021/ic301773h","","","0.71073","MoKα","","0.0589","0.0384","","","0.0882","0.0977","","","","","","1.058","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331081","19.6632","0.0007","19.7358","0.0007","24.5563","0.0009","90","","90","","90","","9529.5","0.6","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(Klaui)2Yb][CoCl3.THF] + 2C6H6","","","- C98 H90 Cl3 Co3 O19 P6 Yb -","- C98 H90 Cl3 Co3 O19 P6 Yb -","- C392 H360 Cl12 Co12 O76 P24 Yb4 -","4","1","","Kevin J. H. Allen; Emma C. Nicholls-Allison; Kevin R. D. Johnson; Rajinder S. Nirwan; David J. Berg; Dennis Wester; Brendan Twamley","Lanthanide Complexes of the Kläui Metalloligand, CpCo(P=O(OR)2)3: An Examination of Ligand Exchange Kinetics between Isotopomers by Electrospray Mass Spectrometry","Inorganic Chemistry","2012","51","","12436","12443","10.1021/ic301830u","","","0.71073","MoKα","","0.0659","0.0484","","","0.1001","0.1087","","","","","","1.023","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331082","11.139","0.002","11.429","0.002","20.579","0.004","85.91","0.01","77.049","0.01","68.7","0.01","2378.7","0.8","123.2","","123.2","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H62 Cl2 Cu F6 N2 O2 Sb -","- C44 H62 Cl2 Cu F6 N2 O2 Sb -","- C88 H124 Cl4 Cu2 F12 N4 O4 Sb2 -","2","1","","Kazutaka Asami; Kazuaki Tsukidate; Satoshi Iwatsuki; Fumito Tani; Satoru Karasawa; Linus Chiang; Tim Storr; Fabrice Thomas; Yuichi Shimazaki","New Insights into the Electronic Structure and Reactivity of One-Electron Oxidized Copper(II)-(Disalicylidene)diamine Complexes","Inorganic Chemistry","2012","51","","12450","12461","10.1021/ic3018503","","","0.7107","MoKα","","","0.0622","","","","0.1602","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331083","24.6582","0.0017","18.4059","0.0013","25.2129","0.0018","90","","106.717","0.002","90","","10959.4","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H102 B2 F50 N8 Si Zr2 -","- C102 H102 B2 F50 N8 Si Zr2 -","- C408 H408 B8 F200 N32 Si4 Zr8 -","4","1","","Heiko Kulinna; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Cationic Zirconium Hydrides Supported by an NNNN-Type Macrocyclic Ligand: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2012","51","","12462","12472","10.1021/ic301880z","","","0.71073","MoKα","","0.1221","0.073","","","0.1972","0.2297","","","","","","0.995","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331084","12.167","0.0009","17.0955","0.0013","30.775","0.002","90","","91.2364","0.0011","90","","6399.7","0.8","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H58 N4 Si3 Zr -","- C23 H58 N4 Si3 Zr -","- C184 H464 N32 Si24 Zr8 -","8","1","","Heiko Kulinna; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Cationic Zirconium Hydrides Supported by an NNNN-Type Macrocyclic Ligand: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2012","51","","12462","12472","10.1021/ic301880z","","","0.71073","MoKα","","0.039","0.0333","","","0.0805","0.0869","","","","","","1.075","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331085","24.293","0.002","24.293","0.002","34.827","0.003","90","","90","","90","","20553","3","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C43 H59 B Cl8 N4 Si2 Zr -","- C43 H59 B Cl8 N4 Si2 Zr -","- C688 H944 B16 Cl128 N64 Si32 Zr16 -","16","1","","Heiko Kulinna; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Cationic Zirconium Hydrides Supported by an NNNN-Type Macrocyclic Ligand: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2012","51","","12462","12472","10.1021/ic301880z","","","0.71073","MoKα","","0.1179","0.074","","","0.167","0.1875","","","","","","0.921","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331086","13.658","0.003","17.059","0.004","20.564","0.004","94.157","0.004","90.002","0.004","95.107","0.005","4759.6","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H78 B2 F48 N8 Zr2 -","- C86 H78 B2 F48 N8 Zr2 -","- C172 H156 B4 F96 N16 Zr4 -","2","1","","Heiko Kulinna; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Cationic Zirconium Hydrides Supported by an NNNN-Type Macrocyclic Ligand: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2012","51","","12462","12472","10.1021/ic301880z","","","0.71073","MoKα","","0.1651","0.0905","","","0.2187","0.265","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331087","10.653","0.003","12.504","0.003","14.449","0.004","101.457","0.004","101.362","0.004","92.915","0.004","1841.2","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H45 Cl F2 N3 O7 P Ru -","- C34 H45 Cl F2 N3 O7 P Ru -","- C68 H90 Cl2 F4 N6 O14 P2 Ru2 -","2","1","","Jun Xiang Ong; Chun Wei Yap; Wee Han Ang","Rational Design of Selective Organoruthenium Inhibitors of Protein Tyrosine Phosphatase 1B","Inorganic Chemistry","2012","51","","12483","12492","10.1021/ic301884j","","","0.71073","MoKα","","0.086","0.0653","","","0.1432","0.1524","","","","","","1.04","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331088","9.8539","0.0004","13.3013","0.0006","18.0943","0.0008","110.42","0.001","93.668","0.001","96.132","0.001","2196.78","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H56 Cl F8 N3 O4 P2 Ru -","- C39 H56 Cl F8 N3 O4 P2 Ru -","- C78 H112 Cl2 F16 N6 O8 P4 Ru2 -","2","1","","Jun Xiang Ong; Chun Wei Yap; Wee Han Ang","Rational Design of Selective Organoruthenium Inhibitors of Protein Tyrosine Phosphatase 1B","Inorganic Chemistry","2012","51","","12483","12492","10.1021/ic301884j","","","0.71073","MoKα","","0.0524","0.0437","","","0.0989","0.103","","","","","","1.042","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331089","11.863","0.0004","12.9273","0.0005","13.1753","0.0005","81.305","0.002","71.683","0.002","71.499","0.002","1816.04","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H37 B2 Cr F8 N7 O7 -","- C31 H37 B2 Cr F8 N7 O7 -","- C62 H74 B4 Cr2 F16 N14 O14 -","2","1","","Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores","Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand","Inorganic Chemistry","2012","51","","12493","12502","10.1021/ic301909u","","","0.71073","MoKα","","0.0739","0.0505","","","0.1281","0.1416","","","","","","1.028","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331090","12.5586","0.0011","12.6047","0.0011","12.8933","0.0011","93.705","0.005","94.262","0.005","103.718","0.005","1970.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H33 F6 Mn N7 O12 S2 -","- C32 H33 F6 Mn N7 O12 S2 -","- C64 H66 F12 Mn2 N14 O24 S4 -","2","1","","Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores","Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand","Inorganic Chemistry","2012","51","","12493","12502","10.1021/ic301909u","","","0.71073","MoKα","","0.0576","0.0434","","","0.116","0.1251","","","","","","1.042","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331091","15.6283","0.0013","19.4132","0.0016","14.4401","0.0013","90","","115.895","0.004","90","","3941.2","0.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F6 Fe N7 O12 S2 -","- C32 H33 F6 Fe N7 O12 S2 -","- C128 H132 F24 Fe4 N28 O48 S8 -","4","1","","Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores","Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand","Inorganic Chemistry","2012","51","","12493","12502","10.1021/ic301909u","","","0.71073","MoKα","","0.0522","0.0404","","","0.1053","0.1109","","","","","","1.016","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331092","15.4332","0.0004","15.4332","0.0004","15.4332","0.0004","90","","90","","90","","3675.94","0.17","120","2","120","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H33 Cl4 Co2 N7 O6 -","- C30 H33 Cl4 Co2 N7 O6 -","- C120 H132 Cl16 Co8 N28 O24 -","4","0.333333","","Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores","Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand","Inorganic Chemistry","2012","51","","12493","12502","10.1021/ic301909u","","","0.71073","MoKα","","0.0276","0.0231","","","0.0556","0.0577","","","","","","1.036","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331093","12.369","0.0008","12.7685","0.0008","13.921","0.0009","73.345","0.003","86.927","0.003","73.045","0.003","2013.7","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H39 Cl2 N9 Ni O14 -","- C34 H39 Cl2 N9 Ni O14 -","- C68 H78 Cl4 N18 Ni2 O28 -","2","1","","Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores","Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand","Inorganic Chemistry","2012","51","","12493","12502","10.1021/ic301909u","","","0.71073","MoKα","","0.0491","0.037","","","0.1024","0.11","","","","","","1.034","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331094","10.042","0.002","10.042","0.002","35.268","0.009","90","","90","","120","","3080","1.2","120","2","120","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C32 H33 F6 N7 O12 S2 Zn -","- C31.99 H33 F6 N7 O12 S1.99 Zn -","- C95.97 H99 F18 N21 O36 S5.97 Zn3 -","3","0.333333","","Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores","Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand","Inorganic Chemistry","2012","51","","12493","12502","10.1021/ic301909u","","","0.71073","MoKα","","0.0461","0.0423","","","0.1247","0.128","","","","","","1.068","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331095","39.35","0.008","39.35","0.008","16.83","0.004","90","","90","","90","","26060","10","153","","153","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C164 H288 Cu8 N8 Ni12 O76 -","- C164 H208 Cu8 N8 Ni12 O76 -","- C656 H832 Cu32 N32 Ni48 O304 -","4","0.25","","Takayuki Nakajima; Keiko Seto; Fumihiro Horikawa; Isao Shimizu; Andreas Scheurer; Bunsho Kure; Takashi Kajiwara; Tomoaki Tanase; Masahiro Mikuriya","Wheel-Shaped Icosanuclear Homo- and Heterometallic Complexes of NiII, CoII, and CuII Ions Supported by Unsymmetrical Aminoalcohol Ligands","Inorganic Chemistry","2012","51","","12503","12510","10.1021/ic3019106","","","0.71075","MoKα","","","0.0635","","","","0.1952","","","","","","1.094","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331096","22.6978","0.0006","22.6978","0.0006","22.9284","0.0008","90","","90","","90","","11812.5","0.6","163","","163","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C180 H282 N14 Ni20 O76 -","- C180 H268 N14 Ni20 O76 -","- C360 H536 N28 Ni40 O152 -","2","0.25","","Takayuki Nakajima; Keiko Seto; Fumihiro Horikawa; Isao Shimizu; Andreas Scheurer; Bunsho Kure; Takashi Kajiwara; Tomoaki Tanase; Masahiro Mikuriya","Wheel-Shaped Icosanuclear Homo- and Heterometallic Complexes of NiII, CoII, and CuII Ions Supported by Unsymmetrical Aminoalcohol Ligands","Inorganic Chemistry","2012","51","","12503","12510","10.1021/ic3019106","","","0.7107","MoKα","","","0.0516","","","","0.1456","","","","","","1.138","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331097","22.826","0.007","22.826","0.007","23.129","0.007","90","","90","","90","","12051","6","153","","153","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C188 H302 Co20 N14 O78 -","- C188 H224 Co20 N14 O78 -","- C376 H448 Co40 N28 O156 -","2","0.25","","Takayuki Nakajima; Keiko Seto; Fumihiro Horikawa; Isao Shimizu; Andreas Scheurer; Bunsho Kure; Takashi Kajiwara; Tomoaki Tanase; Masahiro Mikuriya","Wheel-Shaped Icosanuclear Homo- and Heterometallic Complexes of NiII, CoII, and CuII Ions Supported by Unsymmetrical Aminoalcohol Ligands","Inorganic Chemistry","2012","51","","12503","12510","10.1021/ic3019106","","","0.7107","MoKα","","","0.0483","","","","0.1397","","","","","","1.092","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331098","22.724","0.011","22.724","0.011","22.778","0.012","90","","90","","90","","11762","10","153","","153","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C184 H292 Co10.52 N14 Ni9.48 O77 -","- C184 H220 Co10.52 N14 Ni9.48 O77 -","- C368 H440 Co21.04 N28 Ni18.96 O154 -","2","0.25","","Takayuki Nakajima; Keiko Seto; Fumihiro Horikawa; Isao Shimizu; Andreas Scheurer; Bunsho Kure; Takashi Kajiwara; Tomoaki Tanase; Masahiro Mikuriya","Wheel-Shaped Icosanuclear Homo- and Heterometallic Complexes of NiII, CoII, and CuII Ions Supported by Unsymmetrical Aminoalcohol Ligands","Inorganic Chemistry","2012","51","","12503","12510","10.1021/ic3019106","","","0.71075","MoKα","","","0.0664","","","","0.2065","","","","","","1.072","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331099","9.111","0.007","13.899","0.011","9.708","0.008","90","","97.904","0.014","90","","1217.7","1.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C13 H19 Bi N10 O9 S2 -","- C13 H19 Bi N10 O9 S2 -","- C26 H38 Bi2 N20 O18 S4 -","2","0.5","","Ming-Xue Li; Min Yang; Jing-Yang Niu; Li-Zhi Zhang; Song-Qiang Xie","A Nine-Coordinated Bismuth(III) Complex Derived from Pentadentate 2,6-Diacetylpyridine Bis(4N-methylthiosemicarbazone): Crystal Structure and Both in Vitro and in Vivo Biological Evaluation","Inorganic Chemistry","2012","51","","12521","12526","10.1021/ic301959z","","","0.71073","MoKα","","0.0799","0.0608","","","0.1458","0.1532","","","","","","1.118","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331100","28.352","0.003","10.4594","0.0011","26.729","0.003","90","","103.113","0.003","90","","7719.7","1.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 N2 P2 -","- C47 H40 N2 P2 -","- C376 H320 N16 P16 -","8","1","","Shanish Kumar; Ganesan Mani; Sukanta Mondal; Pratim Kumar Chattaraj","Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand","Inorganic Chemistry","2012","51","","12527","12539","10.1021/ic301967r","","","0.71073","MoKα","","0.1284","0.0632","","","0.1456","0.1809","","","","","","0.988","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331101","9.873","0.003","13.325","0.004","22.878","0.007","91.246","0.01","99.788","0.011","109.75","0.009","2781.3","1.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N O4 P2 -","- C30 H31 N O4 P2 -","- C120 H124 N4 O16 P8 -","4","2","","Shanish Kumar; Ganesan Mani; Sukanta Mondal; Pratim Kumar Chattaraj","Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand","Inorganic Chemistry","2012","51","","12527","12539","10.1021/ic301967r","","","0.71073","MoKα","","0.1528","0.0608","","","0.1408","0.1845","","","","","","1","","","","has coordinates","189095","2020-10-21","18:00:00",""
"4331102","14.438","0.003","16.355","0.003","11.664","0.002","90","","107.914","0.007","90","","2620.7","0.9","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl N P2 Pd -","- C30 H26 Cl N P2 Pd -","- C120 H104 Cl4 N4 P8 Pd4 -","4","1","","Shanish Kumar; Ganesan Mani; Sukanta Mondal; Pratim Kumar Chattaraj","Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand","Inorganic Chemistry","2012","51","","12527","12539","10.1021/ic301967r","","","0.71073","MoKα","","0.107","0.048","","","0.0847","0.1044","","","","","","1.002","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331103","13.76","0.0009","14.2819","0.0009","16.0506","0.0011","66.63","0.002","69.334","0.002","85.481","0.002","2702.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H55 N2 P4 Pd2 -","- C63 H55 N2 P4 Pd2 -","- C126 H110 N4 P8 Pd4 -","2","1","","Shanish Kumar; Ganesan Mani; Sukanta Mondal; Pratim Kumar Chattaraj","Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand","Inorganic Chemistry","2012","51","","12527","12539","10.1021/ic301967r","","","0.71073","MoKα","","0.1007","0.0474","","","0.092","0.1133","","","","","","1.023","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331104","14.423","0.003","16.338","0.003","11.552","0.002","90","","107.125","0.006","90","","2601.5","0.9","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl N Ni P2 -","- C30 H26 Cl N Ni P2 -","- C120 H104 Cl4 N4 Ni4 P8 -","4","1","","Shanish Kumar; Ganesan Mani; Sukanta Mondal; Pratim Kumar Chattaraj","Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand","Inorganic Chemistry","2012","51","","12527","12539","10.1021/ic301967r","","","0.71073","MoKα","","0.062","0.0361","","","0.0839","0.0955","","","","","","1.036","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331105","14.407","0.002","16.41","0.003","11.5576","0.0018","90","","107.282","0.005","90","","2609.1","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br N Ni P2 -","- C30 H26 Br N Ni P2 -","- C120 H104 Br4 N4 Ni4 P8 -","4","1","","Shanish Kumar; Ganesan Mani; Sukanta Mondal; Pratim Kumar Chattaraj","Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand","Inorganic Chemistry","2012","51","","12527","12539","10.1021/ic301967r","","","0.71073","MoKα","","0.0947","0.041","","","0.0721","0.0913","","","","","","1.027","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331106","14.436","0.005","16.639","0.005","11.587","0.005","90","0.005","107.151","0.005","90","0.005","2659.4","1.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 I N Ni P2 -","- C30 H26 I N Ni P2 -","- C120 H104 I4 N4 Ni4 P8 -","4","1","","Shanish Kumar; Ganesan Mani; Sukanta Mondal; Pratim Kumar Chattaraj","Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand","Inorganic Chemistry","2012","51","","12527","12539","10.1021/ic301967r","","","0.71073","MoKα","","0.0491","0.0304","","","0.0641","0.0805","","","","","","1.075","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331107","14.757","0.003","7.6906","0.0015","7.4812","0.0015","90","","92.41","0.03","90","","848.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Cu Na O8 P S -","- C2 H8 Cu Na O8 P S -","- C8 H32 Cu4 Na4 O32 P4 S4 -","4","1","","Mark Feyand; Annika Hübner; André Rothkirch; David S. Wragg; Norbert Stock","Copper Phosphonatoethanesulfonates: Temperature Dependent in Situ Energy Dispersive X-ray Diffraction Study and Influence of the pH on the Crystal Structures","Inorganic Chemistry","2012","51","","12540","12547","10.1021/ic301976s","","","0.71073","MoKα","","0.0514","0.0405","","","0.1206","0.1288","","","","","","0.891","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331108","9.2861","0.0002","11.2334","0.0003","20.2036","0.0005","97.954","0.001","95.336","0.002","102.729","0.001","2019.25","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H72 F12 Ir2 N8 O4 P2 -","- C96 H72 F12 Ir2 N8 O4 P2 -","- C96 H72 F12 Ir2 N8 O4 P2 -","1","0.5","","Kamrul Hasan; Eli Zysman-Colman","Panchromic Cationic Iridium(III) Complexes","Inorganic Chemistry","2012","51","","12560","12564","10.1021/ic301998t","","","1.54178","CuKα","","0.0268","0.0255","","","0.0607","0.0612","","","","","","1.159","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331109","26.108","0.002","15.0999","0.0013","30.643","0.003","90","","123.664","0.001","90","","10054.5","1.5","130","2","130","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 F6 Ir N8 O2 P -","- C56 H44 F6 Ir N8 O2 P -","- C448 H352 F48 Ir8 N64 O16 P8 -","8","1","","Kamrul Hasan; Eli Zysman-Colman","Panchromic Cationic Iridium(III) Complexes","Inorganic Chemistry","2012","51","","12560","12564","10.1021/ic301998t","","x-ray","0.71073","MoKα","","0.0391","0.0248","","","0.0491","0.0521","","","","","","1.02","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331110","10.8066","0.0003","10.6179","0.0003","27.9331","0.0007","90","","90","","90","","3205.14","0.15","90","0.1","90","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H34 Cu N10 O4 -","- C36 H34 Cu N10 O4 -","- C144 H136 Cu4 N40 O16 -","4","0.5","","Gwendolyn A. Bailey; Eric W. Price; Brian M. Zeglis; Cara L. Ferreira; Eszter Boros; Michael J. Lacasse; Brian O. Patrick; Jason S. Lewis; Michael J. Adam; Chris Orvig","H2azapa: a Versatile Acyclic Multifunctional Chelator for 67Ga, 64Cu, 111In, and 177Lu","Inorganic Chemistry","2012","51","","12575","12589","10.1021/ic302225z","","","0.71073","MoKα","","0.0383","0.0296","","","0.0752","0.0796","","","","","","1.036","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331111","11.5653","0.0012","12.5749","0.0013","14.7944","0.0015","95.694","0.002","107.281","0.002","102.783","0.002","1971.9","0.4","90","0.1","90","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 Cl In N10 O11.5 -","- C36 H41 Cl In N10 O11.5 -","- C72 H82 Cl2 In2 N20 O23 -","2","1","","Gwendolyn A. Bailey; Eric W. Price; Brian M. Zeglis; Cara L. Ferreira; Eszter Boros; Michael J. Lacasse; Brian O. Patrick; Jason S. Lewis; Michael J. Adam; Chris Orvig","H2azapa: a Versatile Acyclic Multifunctional Chelator for 67Ga, 64Cu, 111In, and 177Lu","Inorganic Chemistry","2012","51","","12575","12589","10.1021/ic302225z","","","0.71073","MoKα","","0.0281","0.024","","","0.0583","0.0608","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331112","8.464","0.003","14.014","0.005","24.727","0.011","90","","90.56","0.03","90","","2933","2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 F3 O3 S Te2 -","- C28 H33 F3 O3 S Te2 -","- C112 H132 F12 O12 S4 Te8 -","4","1","","Jens Beckmann; Jens Bolsinger; Andrew Duthie; Pamela Finke; Enno Lork; Carsten Lüdtke; Ole Mallow; Stefan Mebs","Mesityltellurenyl Cations Stabilized by Triphenylpnictogens [MesTe(EPh3)]+ (E = P, As, Sb)","Inorganic Chemistry","2012","51","","12395","12406","10.1021/ic3017722","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331113","22.4517","0.001","28.7074","0.0012","31.8954","0.0014","90","","90","","90","","20557.5","1.5","83","2","83","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(ONO)Rh(py)3","","","- C104.5 H148 N8 O8 Rh2 -","- C106.32 H142 N8 O8 Rh2 -","- C850.56 H1136 N64 O64 Rh16 -","8","1","","Géza Szigethy; David W. Shaffer; Alan F. Heyduk","Coordination Effects on Electron Distributions for Rhodium Complexes of the Redox-Active Bis(3,5-di-tert-butyl-2-phenolate)amide Ligand","Inorganic Chemistry","2012","51","","12606","12618","10.1021/ic2026076","","","0.71073","MoKα","","0.0789","0.0475","","","0.114","0.1322","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331114","13.8702","0.0012","23.903","0.002","13.455","0.0012","90","","118.026","0.001","90","","3937.8","0.6","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(ONOcat)Rh(PMe3)2","","","- C36.5 H64 N O2 P2 Rh -","- C37.507 H58 N O2 P2 Rh -","- C150.028 H232 N4 O8 P8 Rh4 -","4","1","","Géza Szigethy; David W. Shaffer; Alan F. Heyduk","Coordination Effects on Electron Distributions for Rhodium Complexes of the Redox-Active Bis(3,5-di-tert-butyl-2-phenolate)amide Ligand","Inorganic Chemistry","2012","51","","12606","12618","10.1021/ic2026076","","","0.71073","MoKα","","0.0873","0.045","","","0.072","0.083","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331115","8.287","0.002","15.054","0.003","11.692","0.003","90","","106.24","0.03","90","","1400.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[bis(μ~2~-1,2-di(tetrazol-2-yl)ethane)-bis(propionitrile)] -iron(II) diperchlorate","","- C14 H22 Cl2 Fe N18 O8 -","- C14 H22 Cl2 Fe N18 O8 -","- C28 H44 Cl4 Fe2 N36 O16 -","2","0.5","","Agata Białońska; Robert Bronisz","Role of Fe-N-C Geometry Flip-Flop in Bistability in Fe(tetrazol-2-yl)4(C2H5CN)2-Type Core Based Coordination Network","Inorganic Chemistry","2012","51","","12630","12637","10.1021/ic300880w","","","0.71073","MoKα","","0.0369","0.035","","","0.095","0.0963","","","","","","1.05","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331116","8.388","0.002","15.37","0.003","11.616","0.003","90","","106.75","0.03","90","","1434","0.6","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[bis(μ~2~-1,2-di(tetrazol-2-yl)ethane)-bis(propionitrile)] -iron(II) diperchlorate","","- C14 H22 Cl2 Fe N18 O8 -","- C14 H22 Cl2 Fe N18 O8 -","- C28 H44 Cl4 Fe2 N36 O16 -","2","0.5","","Agata Białońska; Robert Bronisz","Role of Fe-N-C Geometry Flip-Flop in Bistability in Fe(tetrazol-2-yl)4(C2H5CN)2-Type Core Based Coordination Network","Inorganic Chemistry","2012","51","","12630","12637","10.1021/ic300880w","","","0.71073","MoKα","","0.0714","0.0354","","","0.0752","0.084","","","","","","0.899","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331117","8.364","0.002","15.17","0.003","11.595","0.003","90","","106.62","0.03","90","","1409.7","0.6","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[bis(μ~2~-1,2-di(tetrazol-2-yl)ethane)-bis(propionitrile)] -iron(II) diperchlorate","","- C14 H22 Cl2 Fe N18 O8 -","- C14 H22 Cl2 Fe N18 O8 -","- C28 H44 Cl4 Fe2 N36 O16 -","2","0.5","","Agata Białońska; Robert Bronisz","Role of Fe-N-C Geometry Flip-Flop in Bistability in Fe(tetrazol-2-yl)4(C2H5CN)2-Type Core Based Coordination Network","Inorganic Chemistry","2012","51","","12630","12637","10.1021/ic300880w","","","0.71073","MoKα","","0.0639","0.0349","","","0.0756","0.0823","","","","","","0.926","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331118","8.354","0.002","15.051","0.003","11.587","0.003","90","","106.54","0.03","90","","1396.6","0.6","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[bis(μ~2~-1,2-di(tetrazol-2-yl)ethane)-bis(propionitrile)] -iron(II) diperchlorate","","- C14 H22 Cl2 Fe N18 O8 -","- C14 H22 Cl2 Fe N18 O8 -","- C28 H44 Cl4 Fe2 N36 O16 -","2","0.5","","Agata Białońska; Robert Bronisz","Role of Fe-N-C Geometry Flip-Flop in Bistability in Fe(tetrazol-2-yl)4(C2H5CN)2-Type Core Based Coordination Network","Inorganic Chemistry","2012","51","","12630","12637","10.1021/ic300880w","","","0.71073","MoKα","","0.0561","0.0324","","","0.0739","0.0799","","","","","","0.955","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331119","8.144","0.002","15.725","0.003","11.217","0.003","90","","107.64","0.03","90","","1369","0.6","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[bis(μ~2~-1,2-di(tetrazol-2-yl)ethane)-bis(propionitrile)] -iron(II) diperchlorate","","- C14 H22 Cl2 Fe N18 O8 -","- C14 H22 Cl2 Fe N18 O8 -","- C28 H44 Cl4 Fe2 N36 O16 -","2","0.5","","Agata Białońska; Robert Bronisz","Role of Fe-N-C Geometry Flip-Flop in Bistability in Fe(tetrazol-2-yl)4(C2H5CN)2-Type Core Based Coordination Network","Inorganic Chemistry","2012","51","","12630","12637","10.1021/ic300880w","","","0.71073","MoKα","","0.0747","0.0379","","","0.08","0.0887","","","","","","0.917","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331120","8.168","0.002","15.75","0.003","11.242","0.003","90","","107.64","0.03","90","","1378.2","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[bis(μ~2~-1,2-di(tetrazol-2-yl)ethane)-bis(propionitrile)] -iron(II) diperchlorate","","- C14 H22 Cl2 Fe N18 O8 -","- C14 H22 Cl2 Fe N18 O8 -","- C28 H44 Cl4 Fe2 N36 O16 -","2","0.5","","Agata Białońska; Robert Bronisz","Role of Fe-N-C Geometry Flip-Flop in Bistability in Fe(tetrazol-2-yl)4(C2H5CN)2-Type Core Based Coordination Network","Inorganic Chemistry","2012","51","","12630","12637","10.1021/ic300880w","","","0.71073","MoKα","","0.0773","0.0377","","","0.0754","0.0848","","","","","","0.896","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331121","31.177","0.0019","16.271","0.0009","18.0874","0.0009","90","","105.572","0.004","90","","8838.6","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 B F6 N6 O6 S2 -","- C38 H48 B F6 N6 O6 S2 -","- C304 H384 B8 F48 N48 O48 S16 -","8","1","","Salvador B. Muñoz; Wallace K. Foster; Hsiu-Jung Lin; Charles G. Margarit; Diane A. Dickie; Jeremy M. Smith","Tris(carbene)borate Ligands Featuring Imidazole-2-ylidene, Benzimidazol-2-ylidene, and 1,3,4-Triazol-2-ylidene Donors. Evaluation of Donor Properties in Four-Coordinate {NiNO}10 Complexes","Inorganic Chemistry","2012","51","","12660","12668","10.1021/ic301204b","","","0.71073","MoKα","","0.14","0.0598","","","0.1238","0.1523","","","","","","1.006","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4331122","13.9653","0.0008","17.0466","0.001","23.643","0.0013","85.049","0.003","76.475","0.003","88.96","0.003","5452","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 B N7 Ni O2 -","- C28 H30 B N7 Ni O2 -","- C224 H240 B8 N56 Ni8 O16 -","8","4","","Salvador B. Muñoz; Wallace K. Foster; Hsiu-Jung Lin; Charles G. Margarit; Diane A. Dickie; Jeremy M. Smith","Tris(carbene)borate Ligands Featuring Imidazole-2-ylidene, Benzimidazol-2-ylidene, and 1,3,4-Triazol-2-ylidene Donors. Evaluation of Donor Properties in Four-Coordinate {NiNO}10 Complexes","Inorganic Chemistry","2012","51","","12660","12668","10.1021/ic301204b","","","0.71073","MoKα","","0.0814","0.0445","","","0.0978","0.1119","","","","","","1.017","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4331123","19.241","0.004","10.847","0.003","22.885","0.005","90","","123.991","0.014","90","","3960.1","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 B N7 Ni O -","- C42 H52 B N7 Ni O -","- C168 H208 B4 N28 Ni4 O4 -","4","1","","Salvador B. Muñoz; Wallace K. Foster; Hsiu-Jung Lin; Charles G. Margarit; Diane A. Dickie; Jeremy M. Smith","Tris(carbene)borate Ligands Featuring Imidazole-2-ylidene, Benzimidazol-2-ylidene, and 1,3,4-Triazol-2-ylidene Donors. Evaluation of Donor Properties in Four-Coordinate {NiNO}10 Complexes","Inorganic Chemistry","2012","51","","12660","12668","10.1021/ic301204b","","","0.71073","MoKα","","0.2134","0.0876","","","0.1976","0.2528","","","","","","0.97","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4331124","26.345","0.006","37.425","0.007","11.4322","0.0019","90","","99.762","0.013","90","","11109","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H160 B3 N21 Ni3 O4 -","- C112 H160 B3 N21 Ni3 O4 -","- C448 H640 B12 N84 Ni12 O16 -","4","1","","Salvador B. Muñoz; Wallace K. Foster; Hsiu-Jung Lin; Charles G. Margarit; Diane A. Dickie; Jeremy M. Smith","Tris(carbene)borate Ligands Featuring Imidazole-2-ylidene, Benzimidazol-2-ylidene, and 1,3,4-Triazol-2-ylidene Donors. Evaluation of Donor Properties in Four-Coordinate {NiNO}10 Complexes","Inorganic Chemistry","2012","51","","12660","12668","10.1021/ic301204b","","","0.71073","MoKα","","0.3409","0.1126","","","0.2475","0.3866","","","","","","0.958","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4331125","13.8677","0.0004","14.0829","0.0004","14.1333","0.0004","107.976","0.002","101.76","0.002","97.862","0.002","2510.56","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H67 B N10 Ni O4 -","- C48 H67 B N10 Ni O4 -","- C96 H134 B2 N20 Ni2 O8 -","2","1","","Salvador B. Muñoz; Wallace K. Foster; Hsiu-Jung Lin; Charles G. Margarit; Diane A. Dickie; Jeremy M. Smith","Tris(carbene)borate Ligands Featuring Imidazole-2-ylidene, Benzimidazol-2-ylidene, and 1,3,4-Triazol-2-ylidene Donors. Evaluation of Donor Properties in Four-Coordinate {NiNO}10 Complexes","Inorganic Chemistry","2012","51","","12660","12668","10.1021/ic301204b","","","0.71073","MoKα","","0.0709","0.0524","","","0.128","0.1383","","","","","","1.056","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4331126","8.7177","0.0017","12.974","0.003","17.96","0.004","74.731","0.004","77.159","0.004","72.128","0.003","1842.8","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 B N10 Ni O -","- C33 H37 B N10 Ni O -","- C66 H74 B2 N20 Ni2 O2 -","2","1","","Salvador B. Muñoz; Wallace K. Foster; Hsiu-Jung Lin; Charles G. Margarit; Diane A. Dickie; Jeremy M. Smith","Tris(carbene)borate Ligands Featuring Imidazole-2-ylidene, Benzimidazol-2-ylidene, and 1,3,4-Triazol-2-ylidene Donors. Evaluation of Donor Properties in Four-Coordinate {NiNO}10 Complexes","Inorganic Chemistry","2012","51","","12660","12668","10.1021/ic301204b","","","0.71073","MoKα","","0.0545","0.0402","","","0.1013","0.1064","","","","","","1.035","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331127","12.5301","0.0009","17.2969","0.0011","21.1287","0.0014","99.01","0.003","106.559","0.002","103.733","0.002","4138.3","0.5","143","1","143","1","","","","","","","","8","P -1","-P 1","2","","","","- C73 H56 Cl3 F24 N21 O2 P4 Ru2 -","- C73 H56 Cl3 F24 N21 O2 P4 Ru2 -","- C146 H112 Cl6 F48 N42 O4 P8 Ru4 -","2","1","","Benjamin R. Williams; Shannon R. Dalton; Meredith Skiba; Sung Eun Kim; Allison Shatz; Patrick J. Carroll; Sharon J. Nieter Burgmayer","Pteridine Cleavage Facilitates DNA Photocleavage by Ru(II) Polypyridyl Compounds","Inorganic Chemistry","2012","51","","12669","12681","10.1021/ic301219z","","","0.71073","MoKα","","0.1196","0.0903","","","0.2539","0.2914","","","","","","1.068","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331128","10.3642","0.0002","19.8014","0.0004","20.388","0.0004","88.4788","0.0015","81.7974","0.0016","80.0805","0.0017","4079.42","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89.5 H67.5 F10 I2 N2 O P4 Pt2 -","- C89.5 H67.5 F10 I2 N2 O P4 Pt2 -","- C179 H135 F20 I4 N4 O2 P8 Pt4 -","2","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Antonio Martín; Mario Latronico; Piero Mastrorilli; Stefano Todisco; Vito Gallo","Formation of P-C Bond through Reductive Coupling between Bridging Phosphido and Benzoquinolinate Groups. Isolation of Complexes of the Pt(II)/Pt(IV)/Pt(II) Sequence","Inorganic Chemistry","2012","51","","12682","12696","10.1021/ic301298p","","","0.71073","MoKα","","0.062","0.0482","","","0.1254","0.1304","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331129","11.7997","0.0001","20.9853","0.0002","34.6859","0.0003","90","","90","","90","","8588.93","0.13","100","2","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H28 F10 I N P2 Pt2 -","- C49 H28 F10 I N P2 Pt2 -","- C392 H224 F80 I8 N8 P16 Pt16 -","8","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Antonio Martín; Mario Latronico; Piero Mastrorilli; Stefano Todisco; Vito Gallo","Formation of P-C Bond through Reductive Coupling between Bridging Phosphido and Benzoquinolinate Groups. Isolation of Complexes of the Pt(II)/Pt(IV)/Pt(II) Sequence","Inorganic Chemistry","2012","51","","12682","12696","10.1021/ic301298p","","","0.71073","MoKα","","0.0455","0.0387","","","0.1168","0.1211","","","","","","1.061","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331130","17.2984","0.0003","13.6095","0.0002","22.9239","0.0004","90","","96.7838","0.0014","90","","5359.02","0.15","373","2","373","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C55.75 H43.5 Cl1.5 F10 I N P2 Pd Pt -","- C55.75 H43.5 Cl1.5 F10 I N P2 Pd Pt -","- C223 H174 Cl6 F40 I4 N4 P8 Pd4 Pt4 -","4","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Antonio Martín; Mario Latronico; Piero Mastrorilli; Stefano Todisco; Vito Gallo","Formation of P-C Bond through Reductive Coupling between Bridging Phosphido and Benzoquinolinate Groups. Isolation of Complexes of the Pt(II)/Pt(IV)/Pt(II) Sequence","Inorganic Chemistry","2012","51","","12682","12696","10.1021/ic301298p","","","0.71073","MoKα","","0.0683","0.0349","","","0.059","0.0621","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331131","17.1149","0.0007","13.7727","0.0004","22.9446","0.0007","90","","97.294","0.003","90","","5364.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H38.5 F10 I N P2 Pd2 -","- C53.5 H38.5 F10 I N P2 Pd2 -","- C214 H154 F40 I4 N4 P8 Pd8 -","4","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Antonio Martín; Mario Latronico; Piero Mastrorilli; Stefano Todisco; Vito Gallo","Formation of P-C Bond through Reductive Coupling between Bridging Phosphido and Benzoquinolinate Groups. Isolation of Complexes of the Pt(II)/Pt(IV)/Pt(II) Sequence","Inorganic Chemistry","2012","51","","12682","12696","10.1021/ic301298p","","","0.71073","MoKα","","0.1095","0.0795","","","0.2136","0.2254","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331132","12.6467","0.0009","12.9873","0.0009","13.4015","0.0009","67.315","0.001","70.336","0.001","73.35","0.001","1881.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 B2 F8 Mn N9 -","- C34 H31 B2 F8 Mn N9 -","- C68 H62 B4 F16 Mn2 N18 -","2","1","","Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen","Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes","Inorganic Chemistry","2012","51","","12707","12719","10.1021/ic301409s","","","0.71073","MoKα","","0.0643","0.0546","","","0.1524","0.1642","","","","","","1.025","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331133","12.3799","0.0008","16.636","0.001","19.5125","0.0012","90","","92.677","0.001","90","","4014.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B2 F8 N10 Ni -","- C36 H34 B2 F8 N10 Ni -","- C144 H136 B8 F32 N40 Ni4 -","4","1","","Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen","Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes","Inorganic Chemistry","2012","51","","12707","12719","10.1021/ic301409s","","","0.71073","MoKα","","0.07","0.0545","","","0.1545","0.1703","","","","","","1.025","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331134","11.6034","0.0006","11.6034","0.0006","37.89","0.0026","90","","90","","120","","4418","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H32.5 B2 F4 Fe N9.5 -","- C21 H31 B2 F4 Fe N9 -","- C126 H186 B12 F24 Fe6 N54 -","6","0.333333","","Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen","Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes","Inorganic Chemistry","2012","51","","12707","12719","10.1021/ic301409s","","","0.71073","MoKα","","0.0474","0.0448","","","0.1352","0.1382","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331135","11.6161","0.0009","11.6161","0.0009","37.839","0.004","90","","90","","120","","4421.7","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H32.5 B2 Co F4 N9.5 -","- C21 H31 B2 Co F4 N9 -","- C126 H186 B12 Co6 F24 N54 -","6","0.333333","","Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen","Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes","Inorganic Chemistry","2012","51","","12707","12719","10.1021/ic301409s","","","0.71073","MoKα","","0.063","0.047","","","0.1385","0.1478","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331136","11.5754","0.0009","12.2814","0.0009","15.4083","0.0012","67.126","0.001","77.677","0.001","76.193","0.001","1942","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H38.5 B2 F4 Fe N9.5 -","- C37 H38.5 B2 F4 Fe N9.5 -","- C74 H77 B4 F8 Fe2 N19 -","2","1","","Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen","Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes","Inorganic Chemistry","2012","51","","12707","12719","10.1021/ic301409s","","","0.71073","MoKα","","0.0665","0.0496","","","0.1352","0.1484","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331137","18.41","0.002","13.8258","0.0018","22.016","0.003","90","","111.678","0.002","90","","5207.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H56 B2 Fe N12 -","- C60 H56 B2 Fe N12 -","- C240 H224 B8 Fe4 N48 -","4","0.5","","Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen","Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes","Inorganic Chemistry","2012","51","","12707","12719","10.1021/ic301409s","","","0.71073","MoKα","","0.0972","0.0466","","","0.1136","0.1351","","","","","","1.018","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331138","12.944","0.0003","17.4584","0.0004","20.9702","0.0005","73.149","0.002","85.823","0.001","79.417","0.001","4457.28","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.75 H39.5 Cl3.5 F6 Ga N10 P -","- C41.5799 H39.1598 Cl3.5 F6 Ga N10 P -","- C166.32 H156.639 Cl14 F24 Ga4 N40 P4 -","4","2","","Brendan J. Liddle; Sarath Wanniarachchi; Jeewantha S. Hewage; Sergey V. Lindeman; Brian Bennett; James R. Gardinier","Electronic Communication Across Diamagnetic Metal Bridges: A Homoleptic Gallium(III) Complex of a Redox-Active Diarylamido-Based Ligand and Its Oxidized Derivatives","Inorganic Chemistry","2012","51","","12720","12728","10.1021/ic301437f","","","1.54178","CuKα","","0.0536","0.0484","","","0.1257","0.1294","","","","","","0.982","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331139","17.6021","0.0003","24.6732","0.0003","23.2482","0.0004","90","","108.099","0.0018","90","","9597.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47.99 H45.68 Cl1.3 F9 Ga N10 O0.17 P1.5 -","- C47.9855 H45.683 Cl1.299 F9 Ga N10 O0.1715 P1.5 -","- C383.884 H365.464 Cl10.392 F72 Ga8 N80 O1.372 P12 -","8","2","","Brendan J. Liddle; Sarath Wanniarachchi; Jeewantha S. Hewage; Sergey V. Lindeman; Brian Bennett; James R. Gardinier","Electronic Communication Across Diamagnetic Metal Bridges: A Homoleptic Gallium(III) Complex of a Redox-Active Diarylamido-Based Ligand and Its Oxidized Derivatives","Inorganic Chemistry","2012","51","","12720","12728","10.1021/ic301437f","","","1.5418","CuKα","","0.0731","0.0433","","","0.1067","0.1163","","","","","","0.914","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331140","17.5543","0.0005","24.95","0.0006","29.1682","0.0008","90","","90","","90","","12775.1","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C49.33 H48.66 Cl10.66 F12 Ga N10 P2 Sb -","- C49.329 H48.658 Cl10.658 F12 Ga N10 P2 Sb -","- C394.632 H389.264 Cl85.264 F96 Ga8 N80 P16 Sb8 -","8","1","","Brendan J. Liddle; Sarath Wanniarachchi; Jeewantha S. Hewage; Sergey V. Lindeman; Brian Bennett; James R. Gardinier","Electronic Communication Across Diamagnetic Metal Bridges: A Homoleptic Gallium(III) Complex of a Redox-Active Diarylamido-Based Ligand and Its Oxidized Derivatives","Inorganic Chemistry","2012","51","","12720","12728","10.1021/ic301437f","","","1.54178","CuKα","","0.0853","0.0646","","","0.1433","0.1528","","","","","","1.062","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331141","8.1758","0.0003","14.2872","0.0005","14.8093","0.0005","90.429","0.001","90.852","0.002","102.281","0.002","1689.99","0.1","150","","150","","","","","","","","Synthesized by the authors. See text","8","P -1","-P 1","2","","4-Fluoren-9-ylidenemethyl-pyridine-2,2-bipyridinetricarbony-rhenium(I) hexafluorophosphate dichloromethane monosolvate","","- C33 H23 Cl2 F6 N3 O3 P Re -","- C33 H23 Cl2 F6 N3 O3 P Re -","- C66 H46 Cl4 F12 N6 O6 P2 Re2 -","2","1","","Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan","Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation","Inorganic Chemistry","2012","51","","12738","12747","10.1021/ic301559s","","","1.54178","CuKα","","0.0313","0.0313","","","0.0833","0.0833","","","","","","1.089","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331142","6.2909","0.0004","11.8465","0.0007","18.5314","0.0011","90.475","0.003","96.308","0.003","105.025","0.003","1324.79","0.14","200","","200","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","3-Fluoren-9-ylidenemethyl-pyridine","","- C19 H13 N -","- C19 H13 N -","- C76 H52 N4 -","4","2","","Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan","Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation","Inorganic Chemistry","2012","51","","12738","12747","10.1021/ic301559s","","","1.54178","CuKα","","0.0684","0.0472","","","0.1151","0.1227","","","","","","0.985","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331143","9.2782","0.0004","21.8542","0.0009","6.9306","0.0003","90","","104.675","0.002","90","","1359.46","0.1","200","","200","","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","","4-Fluoren-9-ylidenemethyl-pyridine","","- C19 H13 N -","- C19 H13 N -","- C76 H52 N4 -","4","1","","Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan","Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation","Inorganic Chemistry","2012","51","","12738","12747","10.1021/ic301559s","","","1.54178","CuKα","","0.0466","0.0422","","","0.1111","0.1141","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331144","29.1631","0.0005","12.2319","0.0002","18.7356","0.0004","90","","90","","90","","6683.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","7","P c a 21","P 2c -2ac","29","","3-Fluoren-9-ylidenemethyl-pyridine-2,2-bipyridinetricarbony-rhenium(I) hexafluorophosphate ethyl acetate hemisolvate","","- C68 H50 F12 N6 O8 P2 Re2 -","- C68 H50 F12 N6 O8 P2 Re2 -","- C272 H200 F48 N24 O32 P8 Re8 -","4","1","","Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan","Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation","Inorganic Chemistry","2012","51","","12738","12747","10.1021/ic301559s","","","1.54178","CuKα","","0.0269","0.0264","","","0.0733","0.0738","","","","","","1.069","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331145","7.5009","0.0002","13.0058","0.0004","28.1789","0.0009","90","","93.124","0.003","90","","2744.91","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Cl Fe N3 O5 -","- C27 H37 Cl Fe N3 O5 -","- C108 H148 Cl4 Fe4 N12 O20 -","4","1","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.0687","0.0599","","","0.1344","0.1369","","","","","","1.258","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331146","9.9099","0.0007","20.5346","0.0012","10.9418","0.0008","90","","109.064","0.008","90","","2104.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","chlorido-(N,N'-bis(2-oxy-3-methoxy-benzylidene) -1,6-diamino-4-azahexane)-iron(iii)","","- C21 H25 Cl Fe N3 O4 -","- C21 H25 Cl Fe N3 O4 -","- C84 H100 Cl4 Fe4 N12 O16 -","4","1","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.0816","0.0386","","","0.068","0.0741","","","","","","0.898","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331147","13.6178","0.0011","10.1175","0.0008","14.9168","0.0013","90","","101.184","0.008","90","","2016.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Fe N4 O3 S -","- C20 H23 Fe N4 O3 S -","- C80 H92 Fe4 N16 O12 S4 -","4","1","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.1089","0.0654","","","0.1096","0.1177","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331148","23.934","0.003","23.934","0.003","23.934","0.003","90","","90","","90","","13710","3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","'[Fe^II^{(CN)Fe^III^(saldet)}~6~]Cl~2~.H~2~O","","","- C114 H116 Cl2 Fe7 N24 O13 -","- C114 H114 Fe7 N24 O12 -","- C456 H456 Fe28 N96 O48 -","4","0.166667","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.0425","0.0325","","","0.0864","0.0891","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331149","24.1809","0.0007","24.1809","0.0007","24.1809","0.0007","90","","90","","90","","14139","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","'[Fe^II^{(CN)Fe^III^(saldet)}~6~]Cl~2~.H~2~O","","","- C114 H116 Cl2 Fe7 N24 O13 -","- C114 H114 Fe7 N24 O12 -","- C456 H456 Fe28 N96 O48 -","4","0.166667","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.0466","0.0364","","","0.1068","0.11","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331150","29.4119","0.0003","29.4119","0.0003","15.435","0.0002","90","","90","","120","","11563.3","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","[Fe^II^{(CN)Fe^III^(msalept)}~6~]Cl~2~.10H~2~O","","","- C132 H170 Cl2 Fe7 N24 O34 -","- C132 H150 Fe7 N24 O24 -","- C396 H450 Fe21 N72 O72 -","3","0.166667","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.0664","0.0426","","","0.1135","0.118","","","","","","1.047","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331151","17.533","0.004","16.893","0.003","29.972","0.006","90","0.005","102.23","0.03","90","0.005","8676","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe^II^{(CN)Fe^III^(esaldpt)}~6~]Cl~2~.20.5H~2~O","","","- C150 H229 Cl2 Fe7 N24 O44.5 -","- C150 H188 Fe7 N24 O24 -","- C300 H376 Fe14 N48 O48 -","2","0.5","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","1.54178","CuKα","","0.12","0.0737","","","0.1691","0.1806","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331152","9.3166","0.0009","23.499","0.002","15.0086","0.0013","90","","103.738","0.007","90","","3191.8","0.5","98","2","98","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32.85 H29 Cl0.15 F2.55 N2 Ni O2.55 P2 S0.85 -","- C32.85 H29 Cl0.15 F2.55 N2 Ni O2.55 P2 S0.85 -","- C131.4 H116 Cl0.6 F10.2 N8 Ni4 O10.2 P8 S3.4 -","4","1","","Gopaladasu T. Venkanna; Teresa Virginia M. Ramos; Hadi D. Arman; Zachary J. Tonzetich","Nickel(II) Complexes Containing a Pyrrole-Diphosphine Pincer Ligand","Inorganic Chemistry","2012","51","","12789","12795","10.1021/ic301633q","","","0.71073","MoKα","","0.0789","0.0613","","","0.132","0.1415","","","","","","1.036","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331153","14.391","0.006","16.192","0.006","11.431","0.005","90","","107.556","0.007","90","","2539.6","1.8","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl N Ni P2 -","- C30 H26 Cl N Ni P2 -","- C120 H104 Cl4 N4 Ni4 P8 -","4","1","","Gopaladasu T. Venkanna; Teresa Virginia M. Ramos; Hadi D. Arman; Zachary J. Tonzetich","Nickel(II) Complexes Containing a Pyrrole-Diphosphine Pincer Ligand","Inorganic Chemistry","2012","51","","12789","12795","10.1021/ic301633q","","","0.71073","MoKα","","0.0455","0.0397","","","0.0993","0.1053","","","","","","1.002","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331154","14.2607","0.0019","16.269","0.002","11.528","0.002","90","","106.917","0.008","90","","2558.8","0.7","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N Ni P2 -","- C31 H29 N Ni P2 -","- C124 H116 N4 Ni4 P8 -","4","1","","Gopaladasu T. Venkanna; Teresa Virginia M. Ramos; Hadi D. Arman; Zachary J. Tonzetich","Nickel(II) Complexes Containing a Pyrrole-Diphosphine Pincer Ligand","Inorganic Chemistry","2012","51","","12789","12795","10.1021/ic301633q","","","0.71073","MoKα","","0.0321","0.0294","","","0.0809","0.083","","","","","","1.011","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331155","15.5147","0.0003","9.0739","0.0002","32.0739","0.0006","90","","111.38","0.001","90","","4204.6","0.15","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H57 F6 N4 Ni O2 Sb -","- C40 H57 F6 N4 Ni O2 Sb -","- C160 H228 F24 N16 Ni4 O8 Sb4 -","4","1","","David de Bellefeuille; Mohammad S. Askari; Benedikt Lassalle-Kaiser; Yves Journaux; Ally Aukauloo; Maylis Orio; Fabrice Thomas; Xavier Ottenwaelder","Reversible Double Oxidation and Protonation of the Non-Innocent Bridge in a Nickel(II) Salophen Complex","Inorganic Chemistry","2012","51","","12796","12804","10.1021/ic301684h","","","1.54178","CuKα","","0.0468","0.0382","","","0.093","0.097","","","","","","1.094","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331156","23.9521","0.0007","15.1711","0.0004","10.3912","0.0003","90","","101.883","0.002","90","","3695.03","0.18","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 N4 Ni O2 -","- C40 H56 N4 Ni O2 -","- C160 H224 N16 Ni4 O8 -","4","0.5","","David de Bellefeuille; Mohammad S. Askari; Benedikt Lassalle-Kaiser; Yves Journaux; Ally Aukauloo; Maylis Orio; Fabrice Thomas; Xavier Ottenwaelder","Reversible Double Oxidation and Protonation of the Non-Innocent Bridge in a Nickel(II) Salophen Complex","Inorganic Chemistry","2012","51","","12796","12804","10.1021/ic301684h","","","1.54178","CuKα","","0.0682","0.0414","","","0.0976","0.1111","","","","","","1.048","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331157","9.4186","0.0003","12.1307","0.0004","21.1905","0.0007","90","","90","","90","","2421.1","0.14","100","2","100","2","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C17 H18 Cl4 N6 O2 P4 -","- C17 H18 Cl4 N6 O2 P4 -","- C68 H72 Cl16 N24 O8 P16 -","4","0.5","","Gamze Elmas; Aytuğ Okumuş; Zeynel Kiliç; Tuncer Hökelek; Leyla Açik; Hakan Dal; Nagehan Ramazanoğlu; L.Yasemin Koç","Phosphorus-Nitrogen Compounds. Part 24. Syntheses, Crystal Structures, Spectroscopic and Stereogenic Properties, Biological Activities, and DNA Interactions of Novel Spiro-ansa-spiro- and Ansa-spiro-ansa-cyclotetraphosphazenes","Inorganic Chemistry","2012","51","","12841","12856","10.1021/ic3017134","","","0.71073","MoKα","","0.0378","0.0277","","","0.0706","0.0736","","","","","","0.977","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331158","23.3455","0.0004","8.4787","0.0002","24.5024","0.0005","90","","106.38","0.05","90","","4653.1","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cl4 N6 O2 P4 -","- C16 H16 Cl4 N6 O2 P4 -","- C128 H128 Cl32 N48 O16 P32 -","8","1","","Gamze Elmas; Aytuğ Okumuş; Zeynel Kiliç; Tuncer Hökelek; Leyla Açik; Hakan Dal; Nagehan Ramazanoğlu; L.Yasemin Koç","Phosphorus-Nitrogen Compounds. Part 24. Syntheses, Crystal Structures, Spectroscopic and Stereogenic Properties, Biological Activities, and DNA Interactions of Novel Spiro-ansa-spiro- and Ansa-spiro-ansa-cyclotetraphosphazenes","Inorganic Chemistry","2012","51","","12841","12856","10.1021/ic3017134","","","0.71073","MoKα","","0.0287","0.0244","","","0.0684","0.0702","","","","","","1.032","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331159","9.9387","0.0003","11.7933","0.0003","20.7778","0.0006","90","","90","","90","","2435.37","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl4 N6 O2 P4 -","- C17 H18 Cl4 N6 O2 P4 -","- C68 H72 Cl16 N24 O8 P16 -","4","1","","Gamze Elmas; Aytuğ Okumuş; Zeynel Kiliç; Tuncer Hökelek; Leyla Açik; Hakan Dal; Nagehan Ramazanoğlu; L.Yasemin Koç","Phosphorus-Nitrogen Compounds. Part 24. Syntheses, Crystal Structures, Spectroscopic and Stereogenic Properties, Biological Activities, and DNA Interactions of Novel Spiro-ansa-spiro- and Ansa-spiro-ansa-cyclotetraphosphazenes","Inorganic Chemistry","2012","51","","12841","12856","10.1021/ic3017134","","","0.71073","MoKα","","0.0217","0.021","","","0.0555","0.0558","","","","","","1.087","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331160","14.6946","0.0002","8.796","0.0001","23.8967","0.0003","90","","98.723","0.001","90","","3053.01","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl2 N8 O4 P4 -","- C24 H32 Cl2 N8 O4 P4 -","- C96 H128 Cl8 N32 O16 P16 -","4","1","","Gamze Elmas; Aytuğ Okumuş; Zeynel Kiliç; Tuncer Hökelek; Leyla Açik; Hakan Dal; Nagehan Ramazanoğlu; L.Yasemin Koç","Phosphorus-Nitrogen Compounds. Part 24. Syntheses, Crystal Structures, Spectroscopic and Stereogenic Properties, Biological Activities, and DNA Interactions of Novel Spiro-ansa-spiro- and Ansa-spiro-ansa-cyclotetraphosphazenes","Inorganic Chemistry","2012","51","","12841","12856","10.1021/ic3017134","","","0.71073","MoKα","","0.0552","0.035","","","0.0805","0.086","","","","","","0.967","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331161","18.241","0.003","8.516","0.002","35.359","0.005","90","","102.9","0.02","90","","5354.1","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 Cl5 N6 O2 P4 -","- C18 H21 Cl5 N6 O2 P4 -","- C144 H168 Cl40 N48 O16 P32 -","8","1","","Gamze Elmas; Aytuğ Okumuş; Zeynel Kiliç; Tuncer Hökelek; Leyla Açik; Hakan Dal; Nagehan Ramazanoğlu; L.Yasemin Koç","Phosphorus-Nitrogen Compounds. Part 24. Syntheses, Crystal Structures, Spectroscopic and Stereogenic Properties, Biological Activities, and DNA Interactions of Novel Spiro-ansa-spiro- and Ansa-spiro-ansa-cyclotetraphosphazenes","Inorganic Chemistry","2012","51","","12841","12856","10.1021/ic3017134","","","0.71073","MoKα","","0.0673","0.0483","","","0.0914","0.0969","","","","","","1.028","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331162","11.097","0.002","11.523","0.002","11.625","0.002","103.447","0.004","93.508","0.004","113.646","0.003","1304.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H70 Al4 N8 -","- C52.1 H70 Al4 N8 -","- C52.1 H70 Al4 N8 -","1","0.5","","Ernesto Rufino-Felipe; Miguel-Ángel Muñoz-Hernández; Hugo F. Saucedo-Azpeitia; Sara A. Cortes-Llamas","Calix[4]arenes of Aluminum and Gallium with Benzimidazolyl Ligands: Steric Control of the Conformation via Substitution on the Ligand","Inorganic Chemistry","2012","51","","12834","12840","10.1021/ic301718m","","","0.71073","MoKα","","0.1032","0.0867","","","0.2452","0.2823","","","","","","1.086","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331163","26.279","0.008","15.391","0.005","19.686","0.006","90","","106.555","0.006","90","","7632","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H114.5 Al4 N8 -","- C78 H114.44 Al4 N8 -","- C312 H457.76 Al16 N32 -","4","1","","Ernesto Rufino-Felipe; Miguel-Ángel Muñoz-Hernández; Hugo F. Saucedo-Azpeitia; Sara A. Cortes-Llamas","Calix[4]arenes of Aluminum and Gallium with Benzimidazolyl Ligands: Steric Control of the Conformation via Substitution on the Ligand","Inorganic Chemistry","2012","51","","12834","12840","10.1021/ic301718m","","","0.71073","MoKα","","0.1244","0.0753","","","0.1678","0.1907","","","","","","0.916","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331164","11.2464","0.0017","14.595","0.002","19.441","0.003","76.446","0.002","85.244","0.002","70.262","0.002","2919.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H82 Al4 N7 -","- C59 H82 Al4 N7 -","- C118 H164 Al8 N14 -","2","1","","Ernesto Rufino-Felipe; Miguel-Ángel Muñoz-Hernández; Hugo F. Saucedo-Azpeitia; Sara A. Cortes-Llamas","Calix[4]arenes of Aluminum and Gallium with Benzimidazolyl Ligands: Steric Control of the Conformation via Substitution on the Ligand","Inorganic Chemistry","2012","51","","12834","12840","10.1021/ic301718m","","","0.71073","MoKα","","0.1111","0.0936","","","0.2005","0.2111","","","","","","1.19","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4331165","15.59","0.003","16.514","0.003","17.111","0.004","93.051","0.004","95.589","0.004","115.346","0.003","3940.2","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C160 H240 Al8 N16 -","- C80 H120 Al4 N8 -","- C160 H240 Al8 N16 -","2","1","","Ernesto Rufino-Felipe; Miguel-Ángel Muñoz-Hernández; Hugo F. Saucedo-Azpeitia; Sara A. Cortes-Llamas","Calix[4]arenes of Aluminum and Gallium with Benzimidazolyl Ligands: Steric Control of the Conformation via Substitution on the Ligand","Inorganic Chemistry","2012","51","","12834","12840","10.1021/ic301718m","","","0.71073","MoKα","","0.1295","0.1043","","","0.2422","0.2605","","","","","","1.084","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331166","10.475","0.002","13.238","0.003","26.098","0.005","75.504","0.004","85.532","0.004","85.889","0.003","3488","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H93 Al4 N8 -","- C65 H93 Al4 N8 -","- C130 H186 Al8 N16 -","2","1","","Ernesto Rufino-Felipe; Miguel-Ángel Muñoz-Hernández; Hugo F. Saucedo-Azpeitia; Sara A. Cortes-Llamas","Calix[4]arenes of Aluminum and Gallium with Benzimidazolyl Ligands: Steric Control of the Conformation via Substitution on the Ligand","Inorganic Chemistry","2012","51","","12834","12840","10.1021/ic301718m","","","0.71073","MoKα","","0.1425","0.0899","","","0.261","0.3079","","","","","","1.065","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331167","10.736","0.004","24.312","0.009","35.008","0.013","90","","98.163","0.006","90","","9045","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H139 Al4 N8 -","- C93 H139 Al4 N8 -","- C372 H556 Al16 N32 -","4","1","","Ernesto Rufino-Felipe; Miguel-Ángel Muñoz-Hernández; Hugo F. Saucedo-Azpeitia; Sara A. Cortes-Llamas","Calix[4]arenes of Aluminum and Gallium with Benzimidazolyl Ligands: Steric Control of the Conformation via Substitution on the Ligand","Inorganic Chemistry","2012","51","","12834","12840","10.1021/ic301718m","","","0.71073","MoKα","","0.1656","0.0871","","","0.2123","0.244","","","","","","1.086","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331168","11.116","0.005","11.382","0.005","27.793","0.013","90","","94.543","0.008","90","","3505","3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Br4 N4 Zn -","- C36 H30 Br4 N4 Zn -","- C144 H120 Br16 N16 Zn4 -","4","1","","Yoshihiro Matano; Tarou Shibano; Haruyuki Nakano; Yoshifumi Kimura; Hiroshi Imahori","Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities","Inorganic Chemistry","2012","51","","12879","12890","10.1021/ic301835c","","","0.7107","MoKα","","0.0816","0.0656","","","0.1784","0.1932","","","","","","1.1","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331169","8.412","0.004","23.757","0.01","7.831","0.004","90","","113.799","0.005","90","","1431.9","1.2","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N6 -","- C36 H32 N6 -","- C72 H64 N12 -","2","0.5","","Yoshihiro Matano; Tarou Shibano; Haruyuki Nakano; Yoshifumi Kimura; Hiroshi Imahori","Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities","Inorganic Chemistry","2012","51","","12879","12890","10.1021/ic301835c","","","0.7107","MoKα","","0.0775","0.0728","","","0.1483","0.152","","","","","","1.173","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331170","15.384","0.005","15.384","0.005","11.304","0.004","90","","90","","120","","2316.9","1.3","143","2","143","2","","","","","","","","4","P -3","-P 3","147","","","","- C36 H30 N6 Pd -","- C36 H30 N6 Pd -","- C108 H90 N18 Pd3 -","3","0.5","","Yoshihiro Matano; Tarou Shibano; Haruyuki Nakano; Yoshifumi Kimura; Hiroshi Imahori","Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities","Inorganic Chemistry","2012","51","","12879","12890","10.1021/ic301835c","","","0.7107","MoKα","","0.0673","0.0488","","","0.0876","0.0953","","","","","","1.017","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331171","15.3958","0.0018","15.3958","0.0018","11.2532","0.0013","90","","90","","120","","2310","0.5","143","2","143","2","","","","","","","","4","P -3","-P 3","147","","","","- C36 H30 N6 Pt -","- C36 H30 N6 Pt -","- C108 H90 N18 Pt3 -","3","0.5","","Yoshihiro Matano; Tarou Shibano; Haruyuki Nakano; Yoshifumi Kimura; Hiroshi Imahori","Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities","Inorganic Chemistry","2012","51","","12879","12890","10.1021/ic301835c","","","0.7107","MoKα","","0.0241","0.0235","","","0.0533","0.0557","","","","","","1.056","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331172","13.345","0.003","13.79","0.003","8.1213","0.0016","90","","101.114","0.002","90","","1466.5","0.5","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N4 Ni -","- C38 H32 N4 Ni -","- C76 H64 N8 Ni2 -","2","0.5","","Yoshihiro Matano; Tarou Shibano; Haruyuki Nakano; Yoshifumi Kimura; Hiroshi Imahori","Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities","Inorganic Chemistry","2012","51","","12879","12890","10.1021/ic301835c","","","0.7107","MoKα","","0.0494","0.039","","","0.1014","0.1079","","","","","","1.108","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331173","9.3855","0.0003","15.6669","0.0008","20.7398","0.0011","90","","95.827","0.003","90","","3033.9","0.2","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","6","P 1 21/n 1","-P 2yn","14","(NEt4)2[Fe2(mu-NtBu)(mu-S)Cl2]","","","- C20 H49 Cl4 Fe2 N3 S -","- C20 H49 Cl4 Fe2 N3 S -","- C80 H196 Cl16 Fe8 N12 S4 -","4","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.1004","0.0534","","0.1618","0.1331","","","","1.031","1.082","1.082","","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331174","11.7818","0.0007","9.5043","0.0006","15.9211","0.0008","90","","102.368","0.003","90","","1741.43","0.18","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","5","P 1 21/c 1","-P 2ybc","14","Fe2(mu-NHtBu)[N(TMS)2]2","","","- C20 H56 Fe2 N4 Si4 -","- C20 H56 Fe2 N4 Si4 -","- C40 H112 Fe4 N8 Si8 -","2","0.5","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.0753","0.0484","","0.1405","0.1238","","","","1.065","1.133","1.133","","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331175","16.4939","0.0008","9.0249","0.0005","23.5935","0.0013","90","","101.945","0.002","90","","3436","0.3","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","6","P 1 21/n 1","-P 2yn","14","Fe2(mu-NHtBu)(mu-S)[N(TMS)2]2","","","- C20 H56 Fe2 N4 S Si4 -","- C20 H56 Fe2 N4 S Si4 -","- C80 H224 Fe8 N16 S4 Si16 -","4","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.1409","0.0604","","0.1301","0.1053","","","","1.027","1.144","1.144","","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331176","16.4943","0.0006","9.0935","0.0003","23.5967","0.0008","90","","101.631","0.001","90","","3466.6","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Fe2(mu-NHtBu)(mu-Se)[N(TMS)2]2","Fe2(mu-NHtBu)(mu-Se)[N(TMS)2]2","","- C20 H56 Fe2 N4 Se Si4 -","- C20 H56 Fe2 N4 Se Si4 -","- C80 H224 Fe8 N16 Se4 Si16 -","4","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.0442","0.0311","","","0.0704","0.0765","","","","","","1.032","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331177","23.4155","0.001","20.7305","0.0009","17.8411","0.0013","90","","130.166","0.001","90","","6618","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Et4N)[Fe4(mu3-NtBu)3(mu3-S)Cl4]","(Et4N)[Fe4(mu3-NtBu)3(mu3-S)Cl4]","","- C20 H47 Cl4 Fe4 N4 S -","- C20 H47 Cl4 Fe4 N4 S -","- C160 H376 Cl32 Fe32 N32 S8 -","8","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.0488","0.033","","","0.0722","0.0804","","","","","","1.023","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331178","17.8185","0.0012","11.3121","0.0007","22.1301","0.0014","90","","108.795","0.001","90","","4222.8","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Et4N)2[Fe4(mu3-NtBu)2(mu3-S)2Cl4]","(Et4N)2[Fe4(mu3-NtBu)2(mu3-S)2Cl4]","","- C24 H58 Cl4 Fe4 N4 S2 -","- C24 H58 Cl4 Fe4 N4 S2 -","- C96 H232 Cl16 Fe16 N16 S8 -","4","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.0895","0.0498","","","0.102","0.1188","","","","","","0.978","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331179","26.4805","0.0011","10.7835","0.0004","12.7847","0.0005","90","","90","","90","","3650.7","0.2","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","(Et4N)2[Fe4(mu3-NtBu)(mu3-S)3Cl4].(CH3CN)","","- C22 H52 Cl4 Fe4 N4 S3 -","- C22 H52 Cl4 Fe4 N4 S3 -","- C88 H208 Cl16 Fe16 N16 S12 -","4","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.0469","0.0379","","","0.0805","0.0889","","","","","","1.072","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331180","11.5384","0.0012","14.1705","0.0015","21.395","0.002","90","","90","","90","","3498.2","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Et4N)2[Fe4(mu3-NtBu)(mu3-Se)3Cl4]","(Et4N)2[Fe4(mu3-NtBu)(mu3-Se)3Cl4]","","- C20 H49 Cl4 Fe4 N3 Se3 -","- C20 H49 Cl4 Fe4 N3 Se3 -","- C80 H196 Cl16 Fe16 N12 Se12 -","4","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.0462","0.0336","","","0.0686","0.0752","","","","","","0.986","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331181","10.913","0.0006","18.3557","0.001","13.6997","0.0008","90","","110.923","0.001","90","","2563.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C19.5 H42.96 B2 Cl3.04 N P -","- C18 H39.96 B2 Cl0.04 N P -","- C72 H159.84 B8 Cl0.16 N4 P4 -","4","1","","Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard","Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes","Inorganic Chemistry","2012","51","","12905","12916","10.1021/ic3018997","","","0.71073","MoKα","","0.0563","0.0422","","","0.1202","0.1252","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331182","11.2392","0.0002","7.4511","0.0001","12.1976","0.0002","90","","101.088","0.0009","90","","1002.41","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4","","","- C7 H17 B2 N3 -","- C7 H17 B2 N3 -","- C28 H68 B8 N12 -","4","1","","Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard","Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes","Inorganic Chemistry","2012","51","","12905","12916","10.1021/ic3018997","","","1.54178","CuKα","","0.0374","0.0336","","","0.0923","0.0956","","","","","","1.072","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331183","9.3058","0.0003","9.467","0.0003","20.3326","0.0007","77.838","0.0013","85.7537","0.0013","61.4232","0.0015","1536.99","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","5","","","- C28 H45 B2 Cl2 N3 -","- C28 H45 B2 Cl2 N3 -","- C56 H90 B4 Cl4 N6 -","2","1","","Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard","Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes","Inorganic Chemistry","2012","51","","12905","12916","10.1021/ic3018997","","","1.54178","CuKα","","0.0644","0.0621","","","0.1651","0.1675","","","","","","1.044","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331184","8.4065","0.0006","10.0395","0.0008","14.3963","0.0011","90","","90","","90","","1215.01","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7","","","- C9 H21 B2 N3 -","- C9 H21 B2 N3 -","- C36 H84 B8 N12 -","4","1","","Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard","Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes","Inorganic Chemistry","2012","51","","12905","12916","10.1021/ic3018997","","","0.71073","MoKα","","0.0442","0.0359","","","0.0834","0.0886","","","","","","1.057","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331185","10.2412","0.0005","12.9371","0.0007","24.8848","0.0013","90","","99.848","0.001","90","","3248.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8","","","- C31 H51 B2 Cl N3 -","- C31 H51 B2 Cl N3 -","- C124 H204 B8 Cl4 N12 -","4","1","","Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard","Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes","Inorganic Chemistry","2012","51","","12905","12916","10.1021/ic3018997","","","0.71073","MoKα","","0.0697","0.057","","","0.1598","0.1725","","","","","","1.04","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331186","12.7575","0.0002","19.0656","0.0003","13.1625","0.0002","90","","93.3871","0.0009","90","","3195.91","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9","","","- C32 H54 B2 N3 -","- C32 H54 B2 N3 -","- C128 H216 B8 N12 -","4","1","","Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard","Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes","Inorganic Chemistry","2012","51","","12905","12916","10.1021/ic3018997","","","1.54178","CuKα","","0.0594","0.0555","","","0.1578","0.1623","","","","","","1.063","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331187","8.0183","0.0002","18.0715","0.0004","9.9072","0.0002","90","","91.7241","0.0013","90","","1434.93","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","11","","","- C11 H25 B2 N3 -","- C11 H25 B2 N3 -","- C44 H100 B8 N12 -","4","1","","Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard","Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes","Inorganic Chemistry","2012","51","","12905","12916","10.1021/ic3018997","","","1.54178","CuKα","","0.068","0.0533","","","0.1451","0.1564","","","","","","1.02","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331188","8.086","0.002","8.086","0.002","6.58","0.002","90","","90","","90","","430.2","0.2","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C2 F5 La N4 Sr3 -","- C2 F5 La N4 Sr3 -","- C4 F10 La2 N8 Sr6 -","2","0.125","","Leonid Unverfehrt; Markus Ströbele; H.-Jürgen Meyer","LaSr3F5(CN2)2: A Prototype Structure for Mixed-Valent Eu4F5(CN2)2","Inorganic Chemistry","2012","51","","12925","12928","10.1021/ic302039q","","","0.71073","MoKα","","0.0203","0.0201","","","0.0557","0.0559","","","","","","1.29","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331189","21.699","0.004","13.883","0.003","23.12","0.005","90","","97.98","0.03","90","","6897","3","293","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","TTF4pom3","","","- C26 H24 Cl4 Mo11 N0 O42 S17 V -","- C26 H24 Cl4 Mo11 O42 S17 V -","- C104 H96 Cl16 Mo44 O168 S68 V4 -","4","0.5","","Qi Li; Jinzhen Lu; John F. Boas; Daouda A. K. Traore; Matthew C. J. Wilce; Fuzhi Huang; Lisandra L. Martin; Tadaharu Ueda; Alan M. Bond","Spontaneous Redox Synthesis of the Charge Transfer Material TTF4[SVMo11O40]","Inorganic Chemistry","2012","51","","12929","12937","10.1021/ic302045m","","","0.7292","Synchrotron","","0.0537","0.0534","","","0.1301","0.1302","","","","","","1.051","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331190","23.82","0.009","9.5063","0.0015","15.544","0.006","90","","123.97","0.06","90","","2919","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 B2 Cu F8 N12 -","- C24 H24 B2 Cu F8 N12 -","- C96 H96 B8 Cu4 F32 N48 -","4","0.5","","Eugenio Coronado; Mónica Giménez-Marqués; Carlos J. Gómez-García; Guillermo Mínguez Espallargas","Dynamic Magnetic Materials Based on the Cationic Coordination Polymer [Cu(btix)2]n2n+ [btix = 1,4-Bis(triazol-1-ylmethyl)benzene]: Tuning the Structural and Magnetic Properties through Anion Exchange","Inorganic Chemistry","2012","51","","12938","12947","10.1021/ic302066e","","","0.71073","MoKα","","0.1946","0.0763","","","0.113","0.151","","","","","","0.973","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331191","24.4913","0.001","4.34232","0.00012","14.20752","0.00055","90","","78.8847","0.0026","90","","1482.61","0.09","298","","298","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cu N12 -","- C12 H12 Cu N12 -","- C48 H48 Cu4 N48 -","4","0.5","","Eugenio Coronado; Mónica Giménez-Marqués; Carlos J. Gómez-García; Guillermo Mínguez Espallargas","Dynamic Magnetic Materials Based on the Cationic Coordination Polymer [Cu(btix)2]n2n+ [btix = 1,4-Bis(triazol-1-ylmethyl)benzene]: Tuning the Structural and Magnetic Properties through Anion Exchange","Inorganic Chemistry","2012","51","","12938","12947","10.1021/ic302066e","powder diffraction","x-ray","1.54177","CuKα","","","","","","","","","","1.32","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331192","37.8351","0.0006","10.91546","0.00016","30.7221","0.0005","90","","98.8288","0.0015","90","","12537.5","0.3","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 Cl2 Cu N5 O9 -","- C28 H31 Cl2 Cu N5 O9 -","- C448 H496 Cl32 Cu16 N80 O144 -","16","2","","Sunghee Kim; Claudio Saracini; Maxime A. Siegler; Natalia Drichko; Kenneth D. Karlin","Coordination Chemistry and Reactivity of a Cupric Hydroperoxide Species Featuring a Proximal H-Bonding Substituent","Inorganic Chemistry","2012","51","","12603","12605","10.1021/ic302071e","","","0.71073","MoKα","","0.0625","0.0357","","","0.083","0.0882","","","","","","0.922","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331193","6.799","0.004","8.888","0.004","15.767","0.008","90","","90","","90","","952.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","0.71073","MoKα","","0.0418","0.0384","","","0.1045","0.1072","","","","","","1.099","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331194","8.265","0.004","12.523","0.007","18.64","0.009","95.869","0.009","99.529","0.008","107.303","0.013","1792.9","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H53 N5 O2 -","- C40 H53 N5 O2 -","- C80 H106 N10 O4 -","2","2","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","0.71073","MoKα","","0.0569","0.0462","","","0.1129","0.1208","","","","","","1.027","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331195","15.171","0.007","7.052","0.003","16.168","0.007","90","","113.144","0.007","90","","1590.5","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N5 O2 -","- C40 H37 N5 O2 -","- C80 H74 N10 O4 -","2","1","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","0.71073","MoKα","","0.0453","0.0422","","","0.1091","0.1128","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331196","13.362","0.006","12.353","0.006","15.33","0.008","90","","93.21","0.012","90","","2526","2","100","2","100","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H33 N5 O2 -","- C30 H33 N5 O2 -","- C120 H132 N20 O8 -","4","1","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","0.71073","MoKα","","0.0518","0.0444","","","0.1117","0.1183","","","","","","1.033","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331197","8.04522","0.00017","13.33","0.0003","15.0284","0.0003","89.4843","0.0017","74.9208","0.0019","88.9335","0.0017","1555.91","0.06","119.9","0.3","119.9","0.3","","","","","","","","5","P 1","P 1","1","","","","- C33 H39 Cl2 N5 O2 -","- C33 H39 Cl2 N5 O2 -","- C66 H78 Cl4 N10 O4 -","2","2","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","1.5418","CuKα","","0.0476","0.0475","","","0.1198","0.1198","","","","","","1.013","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331198","21.095","0.012","12.889","0.006","19.284","0.01","90","","95.881","0.01","90","","5216","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H33 N5 O4 -","- C30 H33 N5 O4 -","- C240 H264 N40 O32 -","8","2","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","0.71073","MoKα","","0.0838","0.066","","","0.1715","0.1899","","","","","","1.026","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331199","18.41594","0.00017","14.0269","0.00011","25.7679","0.0002","90","","102.075","0.0009","90","","6509.06","0.1","119.94","0.18","119.94","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N5 O2 -","- C40 H37 N5 O2 -","- C320 H296 N40 O16 -","8","4","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","1.5418","CuKα","","0.0309","0.0304","","","0.0772","0.0778","","","","","","1.018","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331200","18.41746","0.00012","14.028","0.00009","25.77018","0.00017","90","","102.086","0.0006","90","","6510.41","0.07","119.96","0.19","119.96","0.19","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N5 O2 -","- C40 H37 N5 O2 -","- C320 H296 N40 O16 -","8","4","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","1.5418","CuKα","","0.0357","0.0346","","","0.0766","0.0778","","","","","","1.007","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331201","9.75358","0.0001","17.8086","0.0002","17.8545","0.00017","90","","90","","90","","3101.28","0.06","114.96","0.14","114.96","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 N5 O2 -","- C34 H41 N5 O2 -","- C136 H164 N20 O8 -","4","1","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","1.5418","CuKα","","0.0262","0.0253","","","0.0647","0.0652","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331202","10.5259","0.0008","11.7868","0.0017","12.0577","0.0018","87.707","0.012","68.561","0.01","76.285","0.009","1350.9","0.3","109.96","0.14","109.96","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 Co N5 Si -","- C30 H35 Co N5 Si -","- C60 H70 Co2 N10 Si2 -","2","1","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","1.5418","CuKα","","0.1126","0.0895","","","0.2138","0.2301","","","","","","1.048","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331203","11.305","0.006","12.831","0.007","24.097","0.015","79.776","0.018","83.847","0.019","64.837","0.016","3111","3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H31 F N Ni3 O6 S30 -","- C36 H31 F N Ni3 O6 S30 -","- C72 H62 F2 N2 Ni6 O12 S60 -","2","1","","Norihisa Hoshino; Yuuya Yoshii; Masaki Aonuma; Kazuya Kubo; Takayoshi Nakamura; Tomoyuki Akutagawa","Supramolecular Rotators of (Aniliniums)([18]crown-6) in Electrically Conducting [Ni(dmit)2] Crystals","Inorganic Chemistry","2012","51","","12968","12975","10.1021/ic302093b","","","0.71075","MoKα","","","0.0456","","","","0.1723","","","","","","0.919","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331204","10.0449","0.0018","12.702","0.002","24.454","0.004","100.014","0.002","95.649","0.002","95.442","0.002","3037.6","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 N Ni3 O6 S30 -","- C36 H32 N Ni3 O6 S30 -","- C72 H64 N2 Ni6 O12 S60 -","2","1","","Norihisa Hoshino; Yuuya Yoshii; Masaki Aonuma; Kazuya Kubo; Takayoshi Nakamura; Tomoyuki Akutagawa","Supramolecular Rotators of (Aniliniums)([18]crown-6) in Electrically Conducting [Ni(dmit)2] Crystals","Inorganic Chemistry","2012","51","","12968","12975","10.1021/ic302093b","","","0.71073","MoKα","","","0.0599","","","","0.1871","","","","","","1.017","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331205","10.0732","0.0014","12.713","0.002","24.452","0.004","99.369","0.005","95.61","0.004","96.405","0.006","3048.8","0.8","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H31 F N Ni3 O6 S30 -","- C36 H31 F N Ni3 O6 S30 -","- C72 H62 F2 N2 Ni6 O12 S60 -","2","1","","Norihisa Hoshino; Yuuya Yoshii; Masaki Aonuma; Kazuya Kubo; Takayoshi Nakamura; Tomoyuki Akutagawa","Supramolecular Rotators of (Aniliniums)([18]crown-6) in Electrically Conducting [Ni(dmit)2] Crystals","Inorganic Chemistry","2012","51","","12968","12975","10.1021/ic302093b","","","0.71075","MoKα","","","0.0566","","","","0.1727","","","","","","0.934","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331206","11.239","0.005","12.721","0.007","24.142","0.01","78.756","0.017","83.379","0.017","66.745","0.016","3108","3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H31 F N Ni3 O6 S30 -","- C36 H31 F N Ni3 O6 S30 -","- C72 H62 F2 N2 Ni6 O12 S60 -","2","1","","Norihisa Hoshino; Yuuya Yoshii; Masaki Aonuma; Kazuya Kubo; Takayoshi Nakamura; Tomoyuki Akutagawa","Supramolecular Rotators of (Aniliniums)([18]crown-6) in Electrically Conducting [Ni(dmit)2] Crystals","Inorganic Chemistry","2012","51","","12968","12975","10.1021/ic302093b","","","0.71075","MoKα","","","0.0638","","","","0.2238","","","","","","1.085","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331207","19.3435","0.0012","11.8867","0.0007","8.0716","0.0005","90","","90","","90","","1855.9","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H32 B11 N O -","- C10 H32 B11 N O -","- C40 H128 B44 N4 O4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.0472","0.0372","","","0.0932","0.1008","","","","","","1.046","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331208","7.6806","0.0003","11.2799","0.0005","19.8375","0.0009","90","","99.608","0.001","90","","1694.54","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H28 B11 N -","- C9 H28 B11 N -","- C36 H112 B44 N4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.093","0.0544","","","0.1425","0.1653","","","","","","1.021","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331209","12.2118","0.0012","9.7445","0.001","14.4119","0.0015","90","","93.958","0.002","90","","1710.9","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H28 B11 N -","- C9 H28 B11 N -","- C36 H112 B44 N4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.0718","0.0652","","","0.193","0.2031","","","","","","1.109","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331210","18.926","0.0009","27.3459","0.0012","18.0299","0.0008","90","","90","","90","","9331.3","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H57 B11 N2 P2 -","- C45 H33 B11 N2 P2 -","- C360 H264 B88 N16 P16 -","8","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.1098","0.0751","","","0.2064","0.2542","","","","","","1.082","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331211","8.3503","0.0007","16.1189","0.0014","13.554","0.0012","90","","91.96","0.002","90","","1823.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 B11 N -","- C9 H30 B11 N -","- C36 H120 B44 N4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.191","0.0944","","","0.2497","0.3277","","","","","","1.016","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331212","8.2436","0.0008","11.4715","0.0012","10.3203","0.001","90","","109.448","0.002","90","","920.27","0.16","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H32 B11 N -","- C11 H32 B11 N -","- C22 H64 B22 N2 -","2","0.5","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.1013","0.0811","","","0.2233","0.2482","","","","","","1.085","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331213","11.3889","0.0007","14.4573","0.0009","22.194","0.0015","90","","90","","90","","3654.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H32 B11 N -","- C11 H32 B11 N -","- C88 H256 B88 N8 -","8","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.1105","0.0639","","","0.1635","0.2055","","","","","","1.052","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331214","7.0376","0.0005","13.211","0.0007","26.0158","0.0017","90","","96.547","0.004","90","","2403","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 B11 N2 -","- C19 H35 B11 N2 -","- C76 H140 B44 N8 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","1.54178","CuKα","","0.1127","0.0863","","","0.2271","0.2517","","","","","","1.088","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331215","10.3177","0.0008","14.8096","0.0013","15.0601","0.0013","90","","90.522","0.002","90","","2301.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 B11 N2 -","- C17 H31 B11 N2 -","- C68 H124 B44 N8 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.1673","0.112","","","0.3156","0.3527","","","","","","1.062","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331216","12.5579","0.0011","15.0847","0.001","16.2226","0.001","93.524","0.007","108.248","0.002","91.081","0.002","2910.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H172 B44 N8 -","- C92 H172 B44 N8 -","- C92 H172 B44 N8 -","1","0.5","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.1421","0.0741","","","0.1889","0.2126","","","","","","1.025","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331217","12.6628","0.0009","14.1099","0.001","18.2836","0.0013","90","","90","","90","","3266.7","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H22 B11 N -","- C10 H22 B11 N -","- C80 H176 B88 N8 -","8","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.0702","0.0557","","","0.1592","0.182","","","","","","1.083","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331218","16.715","0.001","16.0143","0.0009","8.6111","0.0005","90","","115.99","0.001","90","","2071.9","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H26 B11 Cl2 N -","- C12 H26 B11 Cl2 N -","- C48 H104 B44 Cl8 N4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.0719","0.0542","","","0.1484","0.1621","","","","","","1.079","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331219","12.3118","0.0009","13.6878","0.0008","22.4436","0.0014","90.813","0.005","93.776","0.006","92.983","0.005","3768.3","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Dy2 F36 N6 O18 -","- C54 H38 Dy2 F36 N6 O18 -","- C108 H76 Dy4 F72 N12 O36 -","2","1","","Tian Han; Wei Shi; Xiao-Ping Zhang; Lei-Lei Li; Peng Cheng","A Family of Binuclear Dysprosium(III) Radical Compounds with Magnetic Relaxation in ON and OFF States","Inorganic Chemistry","2012","51","","13009","13016","10.1021/ic3021244","","","0.71073","MoKα","","0.0763","0.0531","","","0.1211","0.1377","","","","","","1.028","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4331220","12.2162","0.0006","12.7794","0.0006","25.8325","0.0011","85.867","0.004","88.922","0.004","68.762","0.004","3749.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H40 Cl2 Dy2 F36 N6 O18 -","- C55 H40 Cl2 Dy2 F36 N6 O18 -","- C110 H80 Cl4 Dy4 F72 N12 O36 -","2","1","","Tian Han; Wei Shi; Xiao-Ping Zhang; Lei-Lei Li; Peng Cheng","A Family of Binuclear Dysprosium(III) Radical Compounds with Magnetic Relaxation in ON and OFF States","Inorganic Chemistry","2012","51","","13009","13016","10.1021/ic3021244","","","0.71073","MoKα","","0.065","0.0552","","","0.1395","0.1484","","","","","","1.014","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4331221","22.6866","0.0006","13.0836","0.0004","32.5926","0.0011","90","","91.195","0.003","90","","9672.1","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H45 Dy3 F54 N6 O26 -","- C69 H45 Dy3 F54 N6 O26 -","- C276 H180 Dy12 F216 N24 O104 -","4","0.5","","Tian Han; Wei Shi; Xiao-Ping Zhang; Lei-Lei Li; Peng Cheng","A Family of Binuclear Dysprosium(III) Radical Compounds with Magnetic Relaxation in ON and OFF States","Inorganic Chemistry","2012","51","","13009","13016","10.1021/ic3021244","","","0.71073","MoKα","","0.0751","0.0509","","","0.1044","0.1151","","","","","","1.045","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331222","13.2124","0.0005","24.538","0.0008","10.9894","0.0004","90","","90.84","0.003","90","","3562.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Dy2 F36 N6 O20 -","- C54 H42 Dy2 F36 N6 O20 -","- C108 H84 Dy4 F72 N12 O40 -","2","0.5","","Tian Han; Wei Shi; Xiao-Ping Zhang; Lei-Lei Li; Peng Cheng","A Family of Binuclear Dysprosium(III) Radical Compounds with Magnetic Relaxation in ON and OFF States","Inorganic Chemistry","2012","51","","13009","13016","10.1021/ic3021244","","","0.71073","MoKα","","0.0631","0.0438","","","0.0771","0.0834","","","","","","1.066","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4331223","15.811","0.0001","26.2876","0.0002","17.9324","0.0001","90","","98.3967","0.0003","90","","7373.41","0.08","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 B F24 In N2 -","- C78 H62 B F24 In N2 -","- C312 H248 B4 F96 In4 N8 -","4","1","","Hassanatu B. Mansaray; Christina Y. Tang; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Interaction of In(I) and Tl(I) Cations with 2,6-Diaryl Pyridine Ligands: Cation Encapsulation within a Very Weakly Interacting N/Arene Host Environment","Inorganic Chemistry","2012","51","","13017","13022","10.1021/ic3021386","","","0.71073","MoKα","","0.1248","0.0996","","0.282","0.2531","0.282","","","","","","0.9605","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331224","12.8413","0.0001","13.8219","0.0001","35.7025","0.0004","90","","91.5709","0.0003","90","","6334.5","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H47 B F26 N Tl -","- C67 H47 B F26 N Tl -","- C268 H188 B4 F104 N4 Tl4 -","4","1","","Hassanatu B. Mansaray; Christina Y. Tang; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Interaction of In(I) and Tl(I) Cations with 2,6-Diaryl Pyridine Ligands: Cation Encapsulation within a Very Weakly Interacting N/Arene Host Environment","Inorganic Chemistry","2012","51","","13017","13022","10.1021/ic3021386","","","0.71073","MoKα","","0.1062","0.0753","","0.2159","0.1825","0.2159","","","","","","0.9355","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331225","12.8041","0.0001","13.8915","0.0002","35.7688","0.0004","90","","91.6851","0.0005","90","","6359.38","0.13","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H53 B F24 N Tl -","- C69 H53 B F24 N Tl -","- C276 H212 B4 F96 N4 Tl4 -","4","1","","Hassanatu B. Mansaray; Christina Y. Tang; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Interaction of In(I) and Tl(I) Cations with 2,6-Diaryl Pyridine Ligands: Cation Encapsulation within a Very Weakly Interacting N/Arene Host Environment","Inorganic Chemistry","2012","51","","13017","13022","10.1021/ic3021386","","","0.71073","MoKα","","0.1303","0.0836","","0.2429","0.1901","0.2428","","","","","","0.9592","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331226","26.1194","0.0002","12.9528","0.0001","35.1578","0.0003","90","","96.8964","0.0003","90","","11808.5","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C122 H84.24 B2 F50 In N2 Na0.76 -","- C122 H84.237 B2 F50 In N2 Na0.763 -","- C488 H336.948 B8 F200 In4 N8 Na3.052 -","4","1","","Hassanatu B. Mansaray; Christina Y. Tang; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Interaction of In(I) and Tl(I) Cations with 2,6-Diaryl Pyridine Ligands: Cation Encapsulation within a Very Weakly Interacting N/Arene Host Environment","Inorganic Chemistry","2012","51","","13017","13022","10.1021/ic3021386","","","0.71073","MoKα","","0.1653","0.1224","","0.3591","0.3095","0.3591","","","","","","0.9729","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331227","10.879","0.002","20.3","0.004","10.876","0.002","90","","90","","90","","2401.9","0.8","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H15 F6 I N2 O6 S2 -","- C18 H15 F6 I N2 O6 S2 -","- C72 H60 F24 I4 N8 O24 S8 -","4","0.5","","Thomas P. Pell; Shannon A. Couchman; Sara Ibrahim; David J. D. Wilson; Brian J. Smith; Peter J. Barnard; Jason L. Dutton","Diverse Reactions of PhI(OTf)2 with Common 2-Electron Ligands: Complex Formation, Oxidation, and Oxidative Coupling","Inorganic Chemistry","2012","51","","13034","13040","10.1021/ic302176f","","","0.71073","MoKα","","0.0338","0.03","","","0.0617","0.0633","","","","","","1.162","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331228","21.866","0.004","9.752","0.002","13.102","0.003","90","","90","","90","","2793.8","1","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H25 F6 I N4 O6 S2 -","- C22 H25 F6 I N4 O6 S2 -","- C88 H100 F24 I4 N16 O24 S8 -","4","0.5","","Thomas P. Pell; Shannon A. Couchman; Sara Ibrahim; David J. D. Wilson; Brian J. Smith; Peter J. Barnard; Jason L. Dutton","Diverse Reactions of PhI(OTf)2 with Common 2-Electron Ligands: Complex Formation, Oxidation, and Oxidative Coupling","Inorganic Chemistry","2012","51","","13034","13040","10.1021/ic302176f","","","0.71073","MoKα","","0.0681","0.0584","","","0.1345","0.1387","","","","","","1.355","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331229","7.8594","0.0016","10.785","0.002","16.731","0.003","78.47","0.03","89.5","0.03","84.91","0.03","1384","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H26 Cl2 F3 O4 P S Si -","- C23 H26 Cl2 F3 O4 P S Si -","- C46 H52 Cl4 F6 O8 P2 S2 Si2 -","2","1","","Thomas P. Pell; Shannon A. Couchman; Sara Ibrahim; David J. D. Wilson; Brian J. Smith; Peter J. Barnard; Jason L. Dutton","Diverse Reactions of PhI(OTf)2 with Common 2-Electron Ligands: Complex Formation, Oxidation, and Oxidative Coupling","Inorganic Chemistry","2012","51","","13034","13040","10.1021/ic302176f","","","0.71073","MoKα","","0.1115","0.0915","","","0.2459","0.2646","","","","","","1.038","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331230","8.371","0.005","10.521","0.006","15.495","0.009","80.378","0.006","86.014","0.006","70.116","0.006","1265.1","1.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H18 F3 N O4 P Re -","- C27 H18 F3 N O4 P Re -","- C54 H36 F6 N2 O8 P2 Re2 -","2","1","","Sohail Muhammad; Veeranna Yempally; Muhammad Anas; Salvador Moncho; Samuel J. Kyran; Edward N. Brothers; Donald J. Darensbourg; Ashfaq A. Bengali","Mechanism of CO Displacement from an Unusually Labile Rhenium Complex: An Experimental and Theoretical Investigation","Inorganic Chemistry","2012","51","","13041","13049","10.1021/ic302182b","","","0.71073","MoKα","","0.0299","0.0263","","","0.0597","0.061","","","","","","1.059","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331231","6.323","0.005","15.08","0.011","14.117","0.01","90","","95.05","0.008","90","","1340.8","1.7","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O4 Re -","- C13 H9 N2 O4 Re -","- C52 H36 N8 O16 Re4 -","4","1","","Sohail Muhammad; Veeranna Yempally; Muhammad Anas; Salvador Moncho; Samuel J. Kyran; Edward N. Brothers; Donald J. Darensbourg; Ashfaq A. Bengali","Mechanism of CO Displacement from an Unusually Labile Rhenium Complex: An Experimental and Theoretical Investigation","Inorganic Chemistry","2012","51","","13041","13049","10.1021/ic302182b","","","0.71073","MoKα","","0.045","0.0286","","","0.0576","0.063","","","","","","1.037","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331232","9.9435","0.0005","10.436","0.0004","15.0534","0.0008","90.098","0.004","107.111","0.004","92.642","0.003","1491.18","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Ga N Si -","- C36 H36 Ga N Si -","- C72 H72 Ga2 N2 Si2 -","2","1","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0566","0.0418","","","0.0984","0.1073","","","","","","1.049","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331233","10.5031","0.0004","10.7024","0.0004","19.9408","0.0008","94.447","0.003","90.037","0.003","118.298","0.004","1965.91","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 Ga N Si -","- C51 H42 Ga N Si -","- C102 H84 Ga2 N2 Si2 -","2","1","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0981","0.0857","","","0.2734","0.2837","","","","","","1.076","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331234","9.9228","0.0004","10.4818","0.0004","15.0271","0.0006","90.361","0.003","106.816","0.003","92.706","0.003","1494.12","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 In N Si -","- C36 H36 In N Si -","- C72 H72 In2 N2 Si2 -","2","1","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0474","0.0369","","","0.086","0.0906","","","","","","1.053","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331235","10.3441","0.0004","10.3596","0.0004","31.3869","0.0011","88.429","0.003","89.341","0.003","64.926","0.004","3045.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N Si Tl -","- C36 H36 N Si Tl -","- C144 H144 N4 Si4 Tl4 -","4","2","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.1311","0.1081","","","0.2362","0.2471","","","","","","1.276","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331236","12.9536","0.0003","25.9791","0.0006","13.7056","0.0004","90","","97.686","0.002","90","","4570.8","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H67 Al Li N O3 Si -","- C48 H67 Al Li N O3 Si -","- C192 H268 Al4 Li4 N4 O12 Si4 -","4","1","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0836","0.0583","","","0.1477","0.1644","","","","","","1.029","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331237","10.2955","0.0005","12.6163","0.0007","15.1988","0.0007","100.176","0.004","99.877","0.004","91.641","0.004","1910.79","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H94 Al2 K2 N2 Si2 -","- C86 H94 Al2 K2 N2 Si2 -","- C86 H94 Al2 K2 N2 Si2 -","1","0.5","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0671","0.0479","","","0.1102","0.1253","","","","","","1.033","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331238","28.906","0.002","9.7641","0.0005","23.958","0.002","90","","116.129","0.01","90","","6070.9","0.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H76 Al2 N2 Si2 -","- C72 H76 Al2 N2 Si2 -","- C288 H304 Al8 N8 Si8 -","4","0.5","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0792","0.0466","","","0.0961","0.1092","","","","","","1.029","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331239","10.8455","0.0004","11.0069","0.0005","18.8926","0.0008","82.82","0.004","73.508","0.003","76.903","0.003","2101.83","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H52 Al Br2 N O Si -","- C47 H52 Al Br2 N O Si -","- C94 H104 Al2 Br4 N2 O2 Si2 -","2","1","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0742","0.0536","","","0.1224","0.1329","","","","","","1.076","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331240","16.9915","0.0006","11.2798","0.0004","36.4772","0.0013","90","","95.084","0.004","90","","6963.7","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 K N O Si -","- C40 H46 K N O Si -","- C320 H368 K8 N8 O8 Si8 -","8","1","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0565","0.0449","","","0.1012","0.1074","","","","","","1.05","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331241","10.1389","0.0003","10.2967","0.0004","19.1038","0.0007","102.997","0.003","92.524","0.003","110.95","0.003","1797.77","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H44 K N Si -","- C43 H44 K N Si -","- C86 H88 K2 N2 Si2 -","2","1","","Deepak Dange; Jiaye Li; Christian Schenk; Hansgeorg Schnöckel; Cameron Jones","Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through Extreme Ligand Steric Bulk","Inorganic Chemistry","2012","51","","13050","13059","10.1021/ic3022613","","","0.71073","MoKα","","0.0648","0.0394","","","0.0874","0.1003","","","","","","1.01","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331242","8.149","0.002","15.727","0.003","11.222","0.003","90","","107.63","0.03","90","","1370.7","0.6","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[bis(μ~2~-1,2-di(tetrazol-2-yl)ethane)-bis(propionitrile)] -iron(II) diperchlorate","","- C14 H22 Cl2 Fe N18 O8 -","- C14 H22 Cl2 Fe N18 O8 -","- C28 H44 Cl4 Fe2 N36 O16 -","2","0.5","","Agata Białońska; Robert Bronisz","Role of Fe-N-C Geometry Flip-Flop in Bistability in Fe(tetrazol-2-yl)4(C2H5CN)2-Type Core Based Coordination Network","Inorganic Chemistry","2012","51","","12630","12637","10.1021/ic300880w","","","0.71073","MoKα","","0.0864","0.0399","","","0.0746","0.0841","","","","","","0.895","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331243","8.363","0.002","15.172","0.003","11.597","0.003","90","","106.64","0.03","90","","1409.8","0.6","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-[bis(μ~2~-1,2-di(tetrazol-2-yl)ethane)-bis(propionitrile)] -iron(II) diperchlorate","","- C14 H22 Cl2 Fe N18 O8 -","- C14 H22 Cl2 Fe N18 O8 -","- C28 H44 Cl4 Fe2 N36 O16 -","2","0.5","","Agata Białońska; Robert Bronisz","Role of Fe-N-C Geometry Flip-Flop in Bistability in Fe(tetrazol-2-yl)4(C2H5CN)2-Type Core Based Coordination Network","Inorganic Chemistry","2012","51","","12630","12637","10.1021/ic300880w","","","0.71073","MoKα","","0.0972","0.0394","","","0.0692","0.0812","","","","","","0.88","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331244","5.926","0.003","7.516","0.007","37.051","0.016","90","","90","","90","","1650.2","1.9","293","2","293","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C18 H12 I2 N2 -","- C18 H12 I2 N2 -","- C72 H48 I8 N8 -","4","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.1826","0.0834","","","0.2195","0.266","","","","","","0.979","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331245","7.174","0.002","10.884","0.007","23.91","0.008","90","","90","","90","","1866.9","1.5","293","2","293","2","","","","","","","","5","P n a b","-P 2bc 2n","60","","","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C72 H64 Br8 N8 O8 -","8","1","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.2136","0.0894","","","0.2261","0.2792","","","","","","0.852","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331246","5.887","0.002","7.94","0.002","36.911","0.011","90","","90","","90","","1725.3","0.9","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.1687","0.0549","","","0.1179","0.1492","","","","","","0.886","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331247","6.232","0.003","15.45","0.005","20.624","0.005","90","","90","","90","","1985.8","1.2","293","2","293","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","- C72 H32 Cl16 I8 N8 -","4","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.3495","0.0821","","","0.1353","0.1862","","","","","","0.768","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331248","5.84","0.003","8.328","0.008","36.821","0.014","90","","90","","90","","1791","2","293","2","293","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C18 H10 F4 I2 N2 -","- C18 H10 F4 I2 N2 -","- C72 H40 F16 I8 N8 -","4","1","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.3342","0.0811","","","0.1253","0.1712","","","","","","0.812","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331249","4.5815","0.0015","9.242","0.004","22.912","0.004","90","","95.06","0.02","90","","966.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Br2 Cl4 N2 -","- C18 H10 Br2 Cl4 N2 -","- C36 H20 Br4 Cl8 N4 -","2","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.2129","0.0675","","","0.1444","0.1798","","","","","","0.857","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331250","8.632","0.002","10.136","0.005","13.097","0.006","72.46","0.04","78.12","0.03","79.22","0.04","1059.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 I2 N2 -","- C22 H22 I2 N2 -","- C44 H44 I4 N4 -","2","1","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.1141","0.0593","","","0.1439","0.1639","","","","","","1.014","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331251","6.1972","0.0011","8.518","0.0014","13.484","0.003","103.779","0.017","100.711","0.018","94.252","0.015","674","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N2 Si2 -","- C28 H32 N2 Si2 -","- C28 H32 N2 Si2 -","1","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.1486","0.0842","","","0.2297","0.2632","","","","","","1.032","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331252","5.9752","0.0019","50.52","0.03","10.226","0.006","90","","93.96","0.03","90","","3080","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl4 N2 Si2 -","- C28 H28 Cl4 N2 Si2 -","- C112 H112 Cl16 N8 Si8 -","4","1","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.3464","0.1046","","","0.2133","0.2865","","","","","","0.85","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331253","6.091","0.005","25.289","0.013","8.863","0.007","90","","102.69","0.07","90","","1331.9","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 Si2 -","- C28 H30 N2 Si2 -","- C56 H60 N4 Si4 -","2","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.2912","0.0783","","","0.1393","0.1908","","","","","","0.8","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331254","11.181","0.006","5.613","0.003","24.414","0.014","90","","102.47","0.04","90","","1496.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H26 Cl4 N2 Si2 -","- C28 H26 Cl4 N2 Si2 -","- C56 H52 Cl8 N4 Si4 -","2","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.1265","0.0839","","","0.2248","0.2573","","","","","","0.987","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331255","7.7079","0.001","5.7966","0.0009","19.243","0.003","90","","90.594","0.012","90","","859.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 F4 N2 -","- C22 H12 F4 N2 -","- C44 H24 F8 N4 -","2","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.1488","0.074","","","0.1863","0.2182","","","","","","0.946","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331256","5.576","0.003","10.283","0.007","17.257","0.011","90","","96.69","0.05","90","","982.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Cl4 N2 -","- C22 H12 Cl4 N2 -","- C44 H24 Cl8 N4 -","2","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.1602","0.0628","","","0.1166","0.1366","","","","","","0.948","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331257","6.067","0.004","11.96","0.02","24.27","0.04","90","","90","","90","","1761","4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C22 H8 F4 N2 -","- C22 H10 F4 N2 -","- C88 H40 F16 N8 -","4","1","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.1919","0.0793","","","0.1898","0.2411","","","","","","0.873","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331258","12.307","0.004","23.926","0.004","14.694","0.005","90","","114.1","0.02","90","","3950","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H118 Cl2 F4 N2 P4 Pt2 -","- C70 H118 Cl2 F4 N2 P4 Pt2 -","- C140 H236 Cl4 F8 N4 P8 Pt4 -","2","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","1.54176","CuKα","","0.1709","0.085","","","0.211","0.2465","","","","","","0.989","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331259","14.294","0.005","12.545","0.005","23.197","0.009","90","","98.48","0.03","90","","4114","3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H118 Cl6 N2 P4 Pt2 -","- C70 H118 Cl6 N2 P4 Pt2 -","- C140 H236 Cl12 N4 P8 Pt4 -","2","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.7093","","","0.2789","0.0859","","","0.1211","0.1551","","","","","","0.83","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331260","25.3518","0.0008","14.9702","0.0008","19.6995","0.0008","90","","95.385","0.004","90","","7443.4","0.6","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","LaSc2N@Ih(7)-C80.Ni(OEP).2benzene","","","- C128 H56 La N5 Ni Sc2 -","- C128 H56 La N5 Ni Sc2 -","- C512 H224 La4 N20 Ni4 Sc8 -","4","0.5","","Steven Stevenson; Coralie B. Rose; Juliya S. Maslenikova; Jimmy R. Villarreal; Mary A. Mackey; Brandon Q. Mercado; Kelly Chen; Marilyn M. Olmstead; Alan L. Balch","Selective Synthesis, Isolation, and Crystallographic Characterization of LaSc2N@Ih-C80","Inorganic Chemistry","2012","51","","13096","13102","10.1021/ic300888e","","","0.71073","MoKα","","0.0559","0.04","","","0.099","0.1085","","","","","","1.022","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331261","25.2727","0.0015","15.027","0.002","19.664","0.002","90","","94.97","0.006","90","","7439.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","LaSc2N@Ih(7)-C80.(H2OEP).2benzene.0.06Ag","","","- C128 H56 Ag0.06 La N5 Sc2 -","- C128 H56 Ag0.0601 La N5 Sc2 -","- C512 H224 Ag0.2404 La4 N20 Sc8 -","4","0.5","","Steven Stevenson; Coralie B. Rose; Juliya S. Maslenikova; Jimmy R. Villarreal; Mary A. Mackey; Brandon Q. Mercado; Kelly Chen; Marilyn M. Olmstead; Alan L. Balch","Selective Synthesis, Isolation, and Crystallographic Characterization of LaSc2N@Ih-C80","Inorganic Chemistry","2012","51","","13096","13102","10.1021/ic300888e","","","0.7749","synchrotron","","0.0767","0.0691","","","0.211","0.2191","","","","","","1.064","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331262","13.493","0.004","13.798","0.004","13.274","0.004","90","","91.873","0.004","90","","2470","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O7 P1.5 Pb2 V0.5 -","- O7 P1.5 Pb2 V0.5 -","- O112 P24 Pb32 V8 -","16","4","","Grégory Tricot; Olivier Mentré; Sylvain Cristol; Laurent Delevoye","Fine Hierarchy of the V-O Bonds by Advanced Solid State NMR: Novel Pb4(VO2)(PO4)3 Structure as a Textbook Case","Inorganic Chemistry","2012","51","","13108","13113","10.1021/ic300966r","","","0.71073","MoKα","","0.0996","0.0631","","","0.1261","0.1362","","","","","","0.946","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331263","12.1224","0.0018","25.352","0.004","9.7713","0.0014","90","","92.862","0.003","90","","2999.2","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Eu N3 O13 -","- C30 H26 Eu N3 O13 -","- C120 H104 Eu4 N12 O52 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0235","0.0205","","","0.0486","0.0497","","","","","","1.031","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331264","12.131","0.002","25.337","0.005","9.8149","0.0018","90","","92.879","0.004","90","","3012.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N3 O13 Tb -","- C30 H22 N3 O13 Tb -","- C120 H88 N12 O52 Tb4 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0396","0.0339","","","0.0638","0.0665","","","","","","1.1","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331265","12.139","0.003","25.449","0.006","9.828","0.002","90","","92.826","0.005","90","","3032.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N3 O13 Sm -","- C30 H22 N3 O13 Sm -","- C120 H88 N12 O52 Sm4 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0289","0.0257","","","0.0581","0.0602","","","","","","1.025","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331266","12.1434","0.0018","25.812","0.007","9.94","0.003","90","","93.054","0.014","90","","3111.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N3 Nd O13 -","- C30 H22 N3 Nd O13 -","- C120 H88 N12 Nd4 O52 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.078","0.0564","","","0.1141","0.1309","","","","","","1.13","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331267","12.129","0.003","25.379","0.006","9.818","0.002","90","","92.835","0.004","90","","3018.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Gd N3 O13 -","- C30 H22 Gd N3 O13 -","- C120 H88 Gd4 N12 O52 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0256","0.0231","","","0.0591","0.0666","","","","","","1.159","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331268","7.9229","0.001","11.8032","0.0016","15.062","0.003","90","","104.899","0.008","90","","1361.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Eu N O9 -","- C12 H9 Eu N O9 -","- C48 H36 Eu4 N4 O36 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0142","0.0134","","","0.034","0.0344","","","","","","1.047","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331269","7.9196","0.0006","11.7236","0.0007","15.013","0.001","90","","105.072","0.004","90","","1345.95","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N O9 Tb -","- C12 H9 N O9 Tb -","- C48 H36 N4 O36 Tb4 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0181","0.0166","","","0.0395","0.0404","","","","","","1.038","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331270","7.9055","0.0012","11.8535","0.0017","15.099","0.003","90","","104.729","0.003","90","","1368.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N O9 Sm -","- C12 H9 N O9 Sm -","- C48 H36 N4 O36 Sm4 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0177","0.0166","","","0.041","0.0414","","","","","","1.048","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331271","7.93","0.002","11.564","0.003","14.913","0.004","90","","105.548","0.011","90","","1317.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N O9 Tm -","- C12 H9 N O9 Tm -","- C48 H36 N4 O36 Tm4 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0234","0.0202","","","0.0471","0.0486","","","","","","1.073","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331272","7.9262","0.0007","11.6805","0.0008","14.9892","0.0012","90","","105.178","0.005","90","","1339.32","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Dy N O9 -","- C12 H9 Dy N O9 -","- C48 H36 Dy4 N4 O36 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0224","0.0195","","","0.0477","0.0494","","","","","","1.076","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331273","7.9003","0.0014","11.96","0.002","15.17","0.003","90","","104.444","0.003","90","","1388.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N Nd O9 -","- C12 H9 N Nd O9 -","- C48 H36 N4 Nd4 O36 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0172","0.0163","","","0.0379","0.0383","","","","","","1.063","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331274","7.936","0.003","11.523","0.004","14.89","0.005","90","","105.696","0.017","90","","1310.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N O9 Yb -","- C12 H9 N O9 Yb -","- C48 H36 N4 O36 Yb4 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.018","0.0162","","","0.0382","0.039","","","","","","1.003","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331275","7.8436","0.0016","11.76","0.002","14.978","0.003","90","","104.322","0.005","90","","1338.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Gd N O9 -","- C12 H9 Gd N O9 -","- C48 H36 Gd4 N4 O36 -","4","1","","Yan-Li Gai; Ke-Cai Xiong; Lian Chen; Yang Bu; Xing-Jun Li; Fei-Long Jiang; Mao-Chun Hong","Visible and NIR Photoluminescence Properties of a Series of Novel Lanthanide-Organic Coordination Polymers Based on Hydroxyquinoline-Carboxylate Ligands","Inorganic Chemistry","2012","51","","13128","13137","10.1021/ic301261g","","","0.71073","MoKα","","0.0173","0.0159","","","0.0417","0.0422","","","","","","1.103","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331276","18.483","0.0008","9.9708","0.0004","14.7921","0.0007","90","","106.085","0.005","90","","2619.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 Mo N6 O5 -","- C9 H14 Mo N6 O5 -","- C72 H112 Mo8 N48 O40 -","8","1","","Marios Stylianou; Vladimiros A. Nikolakis; George I. Chilas; Tamas Jakusch; Tiverios Vaimakis; Tamas Kiss; Michael P. Sigalas; Anastasios D. Keramidas; Themistoklis A. Kabanos","Molybdenum(VI) Coordination Chemistry of the N,N-Disubstituted Bis(hydroxylamido)-1,3,5-triazine Ligand, H2bihyat. Water-Assisted Activation of the MoVI=O Bond and Reversible Dimerization of cis-[MoVIO2(bihyat)] to [MoVI2O4(bihyat)2(H2O)2]","Inorganic Chemistry","2012","51","","13138","13147","10.1021/ic301282q","","","0.71073","MoKα","","0.044","0.0317","","","0.0802","0.0851","","","","","","1.046","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331277","12.6091","0.0009","15.1813","0.0008","18.9516","0.0008","90","","90","","90","","3627.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 D20 Mo2 N12 O20 -","- C18 H28 D4 Mo2 N12 O20 -","- C72 H112 D16 Mo8 N48 O80 -","4","1","","Marios Stylianou; Vladimiros A. Nikolakis; George I. Chilas; Tamas Jakusch; Tiverios Vaimakis; Tamas Kiss; Michael P. Sigalas; Anastasios D. Keramidas; Themistoklis A. Kabanos","Molybdenum(VI) Coordination Chemistry of the N,N-Disubstituted Bis(hydroxylamido)-1,3,5-triazine Ligand, H2bihyat. Water-Assisted Activation of the MoVI=O Bond and Reversible Dimerization of cis-[MoVIO2(bihyat)] to [MoVI2O4(bihyat)2(H2O)2]","Inorganic Chemistry","2012","51","","13138","13147","10.1021/ic301282q","","","0.71073","MoKα","","0.1473","0.0759","","","0.1385","0.1679","","","","","","1.039","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331278","7.7201","0.0005","9.0995","0.0007","13.0492","0.0008","99.284","0.005","103.021","0.005","101.044","0.006","856.31","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 D7 Mo N7 O7 -","- C11 H14 D7 Mo N7 O7 -","- C22 H28 D14 Mo2 N14 O14 -","2","1","","Marios Stylianou; Vladimiros A. Nikolakis; George I. Chilas; Tamas Jakusch; Tiverios Vaimakis; Tamas Kiss; Michael P. Sigalas; Anastasios D. Keramidas; Themistoklis A. Kabanos","Molybdenum(VI) Coordination Chemistry of the N,N-Disubstituted Bis(hydroxylamido)-1,3,5-triazine Ligand, H2bihyat. Water-Assisted Activation of the MoVI=O Bond and Reversible Dimerization of cis-[MoVIO2(bihyat)] to [MoVI2O4(bihyat)2(H2O)2]","Inorganic Chemistry","2012","51","","13138","13147","10.1021/ic301282q","","","0.71073","MoKα","","0.0633","0.0555","","","0.1411","0.1502","","","","","","1.119","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331279","9.349","0.005","16.584","0.005","18.245","0.005","90","0.005","90.672","0.005","90","0.005","2828.6","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 Cl2 Cu2 N5 O10 -","- C20 H37 Cl2 Cu2 N5 O10 -","- C80 H148 Cl8 Cu8 N20 O40 -","4","1","","Sukanta Mandal; Jhumpa Mukherjee; Francesc Lloret; Rabindranath Mukherjee","Modeling Tyrosinase and Catecholase Activity Using Newm-Xylyl-Based Ligands with Bidentate Alkylamine Terminal Coordination","Inorganic Chemistry","2012","51","","13148","13161","10.1021/ic3013848","","","0.71073","MoKα","","0.0928","0.0609","","","0.1324","0.1463","","","","","","0.974","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331280","16.701","0.005","9.905","0.005","18.435","0.005","90","0.005","107.712","0.005","90","0.005","2905","1.9","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C56 H64 Cl2 Cu2 N6 O8 P2 -","- C56 H64 Cl2 Cu2 N6 O8 P2 -","- C112 H128 Cl4 Cu4 N12 O16 P4 -","2","1","","Sukanta Mandal; Jhumpa Mukherjee; Francesc Lloret; Rabindranath Mukherjee","Modeling Tyrosinase and Catecholase Activity Using Newm-Xylyl-Based Ligands with Bidentate Alkylamine Terminal Coordination","Inorganic Chemistry","2012","51","","13148","13161","10.1021/ic3013848","","","0.71073","MoKα","","0.1712","0.0834","","","0.1624","0.1979","","","","","","0.922","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331281","7.485","0.005","14.76","0.005","13.57","0.005","90","0.005","104.648","0.005","90","0.005","1450.5","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H36 Cl2 Cu2 N6 O10 -","- C20 H36 Cl2 Cu2 N6 O10 -","- C40 H72 Cl4 Cu4 N12 O20 -","2","1","","Sukanta Mandal; Jhumpa Mukherjee; Francesc Lloret; Rabindranath Mukherjee","Modeling Tyrosinase and Catecholase Activity Using Newm-Xylyl-Based Ligands with Bidentate Alkylamine Terminal Coordination","Inorganic Chemistry","2012","51","","13148","13161","10.1021/ic3013848","","","0.71073","MoKα","","0.0361","0.0335","","","0.0723","0.0734","","","","","","1.005","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331282","28.624","0.008","28.624","0.008","13.206","0.004","90","","90","","120","","9370","5","296","2","296","2","","","","","","","","4","P -3","-P 3","147","","","","- C56 H82 N4 Ni2 -","- C56 H82 N4 Ni2 -","- C336 H492 N24 Ni12 -","6","1","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.0891","0.0581","","","0.1519","0.1663","","","","","","1.048","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331283","13.267","0.005","34.656","0.013","17.117","0.007","90","","95.471","0.006","90","","7834","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H112 N4 Na Ni2 O6 -","- C68 H112 N4 Na Ni2 O6 -","- C272 H448 N16 Na4 Ni8 O24 -","4","1","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.1072","0.0668","","","0.1652","0.1827","","","","","","1.017","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331284","13.2561","0.0013","36.709","0.004","17.7651","0.0017","90","","90","","90","","8644.8","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H122 K N4 Ni2 O8 -","- C72 H122 K N4 Ni2 O8 -","- C288 H488 K4 N16 Ni8 O32 -","4","0.5","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.1167","0.0756","","","0.1973","0.2168","","","","","","1.126","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331285","12.818","0.004","13.299","0.002","13.326","0.002","118.989","0.002","106.892","0.002","100.185","0.002","1759","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H102 N4 Na2 Ni2 O4 -","- C64 H102 N4 Na2 Ni2 O4 -","- C64 H102 N4 Na2 Ni2 O4 -","1","0.5","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.0546","0.0451","","","0.1351","0.1458","","","","","","1.077","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331286","13.166","0.003","13.2295","0.0016","13.2545","0.0016","119.364","0.001","109.081","0.002","98.37","0.002","1765.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H102 K2 N4 Ni2 O4 -","- C64 H102 K2 N4 Ni2 O4 -","- C64 H102 K2 N4 Ni2 O4 -","1","0.5","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.0459","0.0379","","","0.1157","0.1316","","","","","","1.097","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331287","18.356","0.002","16.721","0.002","29.002","0.004","90","","100.578","0.002","90","","8750.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H130 K4 N4 Ni3 O8 -","- C80 H130 K4 N4 Ni3 O8 -","- C320 H520 K16 N16 Ni12 O32 -","4","0.5","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.0444","0.0367","","","0.0945","0.0995","","","","","","1.054","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331288","20.793","0.003","14.3453","0.0017","21.75","0.003","90","","116.427","0.001","90","","5809.7","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H88 N4 Ni2 -","- C63 H88 N4 Ni2 -","- C252 H352 N16 Ni8 -","4","1","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.0553","0.0417","","","0.0984","0.1076","","","","","","1.025","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331289","14.197","0.007","16.075","0.008","16.911","0.008","94.45","0.007","93.159","0.006","103.437","0.006","3732","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H108 N4 Na2 Ni2 O4 -","- C71 H108 N4 Na2 Ni2 O4 -","- C142 H216 N8 Na4 Ni4 O8 -","2","1","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.1167","0.0702","","","0.1591","0.1758","","","","","","1.085","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331290","12.2","0.02","13.38","0.02","14.15","0.03","64.03","0.02","66.94","0.02","82.51","0.02","1908","6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H102 N4 Na2 Ni2 O4 -","- C70 H102 N4 Na2 Ni2 O4 -","- C70 H102 N4 Na2 Ni2 O4 -","1","0.5","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.1995","0.1052","","","0.2033","0.2283","","","","","","1.021","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331291","24.495","0.012","10.82","0.005","23.633","0.012","90","","90.886","0.007","90","","6263","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N10 Ni2 -","- C56 H80 N10 Ni2 -","- C224 H320 N40 Ni8 -","4","0.5","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.097","0.0593","","","0.1629","0.176","","","","","","1.07","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331292","10.847","0.002","11.184","0.003","19.628","0.004","73.746","0.003","74.564","0.003","71.139","0.003","2122.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 K2 N2 O5 -","- C40 H68 K2 N2 O5 -","- C80 H136 K4 N4 O10 -","2","1","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.1328","0.0942","","","0.2444","0.2793","","","","","","1.069","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331293","27.668","0.0014","12.527","0.0006","29.3747","0.0016","90","","111.282","0.002","90","","9486.9","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H94 Mn8 N32 O21 -","- C81 H94 Mn8 N32 O21 -","- C324 H376 Mn32 N128 O84 -","4","0.5","","Hui-Lien Tsai; Chen-I Yang; Wolfgang Wernsdorfer; Siang-Hua Huang; Siang-Yu Jhan; Ming-Hsuan Liu; Gene-Hsiang Lee","Mn4 Single-Molecule-Magnet-Based Polymers of a One-Dimensional Helical Chain and a Three-Dimensional Network: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","13171","13180","10.1021/ic3014333","","","0.71073","MoKα","","0.0927","0.0557","","","0.136","0.162","","","","","","1.013","","","","has coordinates,has disorder","179415","2020-10-21","18:00:00",""
"4331294","19.3717","0.0007","19.3717","0.0007","52.616","0.002","90","","90","","120","","17099.5","1.1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H57 Mn4 N15 O8.5 -","- C49.5 H57 Mn4 N15 O8.5 -","- C594 H684 Mn48 N180 O102 -","12","0.333333","","Hui-Lien Tsai; Chen-I Yang; Wolfgang Wernsdorfer; Siang-Hua Huang; Siang-Yu Jhan; Ming-Hsuan Liu; Gene-Hsiang Lee","Mn4 Single-Molecule-Magnet-Based Polymers of a One-Dimensional Helical Chain and a Three-Dimensional Network: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","13171","13180","10.1021/ic3014333","","","0.71073","MoKα","","0.0964","0.0638","","","0.1845","0.2109","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331295","15.8178","0.0014","15.8178","0.0014","24.962","0.003","90","","90","","90","","6245.6","1.1","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H82 As8 Na5 O53 Pd12 Sc -","- C48 H40 As8 O57.8 Pd12 Sc -","- C96 H80 As16 O115.6 Pd24 Sc2 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0635","0.0467","","","0.1486","0.1594","","","","","","1.075","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331296","16.109","0.003","16.109","0.003","24.77","0.006","90","","90","","90","","6428","2","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H94 As8 Mn Na6 O59 Pd12 -","- C48 H40 As8 Mn O42 Pd12 -","- C96 H80 As16 Mn2 O84 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0989","0.0551","","","0.175","0.2015","","","","","","1.254","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331297","15.8607","0.0013","15.8607","0.0013","24.9466","0.0019","90","","90","","90","","6275.6","0.9","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H86 As8 Fe Na5 O55 Pd12 -","- C48 H40 As8 Fe O62.08 Pd12 -","- C96 H80 As16 Fe2 O124.16 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0866","0.0508","","","0.1538","0.1807","","","","","","0.991","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331298","15.9271","0.0004","15.9271","0.0004","25.1712","0.0019","90","","90","","90","","6385.2","0.5","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H92 As8 Co Na6 O58 Pd12 -","- C48 H40 As8 Co O58 Pd12 -","- C96 H80 As16 Co2 O116 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1015","0.0696","","","0.213","0.2321","","","","","","1.02","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331299","16.1657","0.0007","16.1657","0.0007","24.744","0.003","90","","90","","90","","6466.3","0.9","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H100 As8 Na6 Ni O62 Pd12 -","- C48 H40 As8 Ni O46 Pd12 -","- C96 H80 As16 Ni2 O92 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0843","0.0472","","","0.1509","0.1723","","","","","","1.023","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331300","15.8988","0.0005","15.8988","0.0005","25.1299","0.0011","90","","90","","90","","6352.1","0.4","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H78 As8 Cu Na6 O51 Pd12 -","- C48 H40 As8 Cu Na1.48 O56 Pd12 -","- C96 H80 As16 Cu2 Na2.96 O112 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0689","0.0549","","","0.1764","0.207","","","","","","1.093","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331301","15.8285","0.0011","15.8285","0.0011","25.034","0.002","90","","90","","90","","6272.1","0.8","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H114 As8 Na6 O69 Pd12 Zn -","- C48 H40 As8 Na2 O59 Pd12 Zn -","- C96 H80 As16 Na4 O118 Pd24 Zn2 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1065","0.0674","","","0.1984","0.225","","","","","","1.328","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331302","15.928","0.003","15.928","0.003","24.313","0.005","90","","90","","90","","6168","2","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H110 Cu Na6 O67 P8 Pd12 -","- C48 H40 Cu Na1.2 O45 P8 Pd12 -","- C96 H80 Cu2 Na2.4 O90 P16 Pd24 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1184","0.0774","","","0.2257","0.2624","","","","","","1.036","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331303","15.6887","0.0009","15.6887","0.0009","24.6896","0.0016","90","","90","","90","","6077","0.6","100","2","100","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C48 H112 Na6 O68 P8 Pd12 Zn -","- C48 H40 O82.04 P8 Pd12 Zn -","- C96 H80 O164.08 P16 Pd24 Zn2 -","2","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.067","0.0472","","","0.1224","0.1332","","","","","","1.066","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331304","18.826","0.003","12.951","0.002","18.86","0.003","90","","90","","90","","4598.4","1.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H22 Mn Na6 O44 Pd12 Se8 -","- Mn Na6 O43 Pd12 Se8 -","- Mn4 Na24 O172 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1007","0.0613","","","0.1278","0.1376","","","","","","1.095","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331305","19.0338","0.0009","12.9678","0.0008","18.5027","0.0008","90","","90","","90","","4567","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Fe H26 Na5 O45 Pd12 Se8 -","- Fe Na3 O36 Pd12 Se8 -","- Fe4 Na12 O144 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1063","0.0439","","","0.0923","0.1053","","","","","","0.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331306","18.866","0.006","12.886","0.004","18.703","0.007","90","","90","","90","","4547","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Co H20 Na6 O42 Pd12 Se8 -","- Co Na4.5 O41.5 Pd12 Se8 -","- Co4 Na18 O166 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0948","0.0538","","","0.1508","0.2184","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331307","18.827","","12.961","0.003","18.827","0.004","90","","90","","90","","4594.1","1.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H22 Na6 Ni O43 Pd12 Se8 -","- Na5 Ni O42 Pd12 Se8 -","- Na20 Ni4 O168 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.066","0.0533","","","0.1276","0.1332","","","","","","1.149","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331308","22.2989","0.0009","13.0548","0.0005","21.639","0.0013","90","","119.377","0.002","90","","5489.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Cu H24 Na6 O44 Pd12 Se8 -","- Cu Na3.5 O37 Pd12 Se8 -","- Cu4 Na14 O148 Pd48 Se32 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.0758","0.0498","","","0.1634","0.1749","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331309","18.9183","0.0011","12.9759","0.0007","18.9534","0.0011","90","","90","","90","","4652.7","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H26 Na6 O45 Pd12 Se8 Zn -","- Na5 O41 Pd12 Se8 Zn -","- Na20 O164 Pd48 Se32 Zn4 -","4","0.5","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.1123","0.0759","","","0.1644","0.1807","","","","","","1.188","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331310","15.0155","0.0009","15.0155","0.0009","15.0155","0.0009","90","","90","","90","","3385.5","0.4","100","2","100","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- H20 Lu Na5 O42 Pd12 Se8 -","- Lu Na2.66667 O36.88 Pd12 Se8 -","- Lu3 Na8 O110.64 Pd36 Se24 -","3","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.059","0.0502","","","0.1178","0.1217","","","","","","1.169","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331311","10.3167","0.0005","33.3727","0.0015","13.5137","0.0006","90","","95.9","0.003","90","","4628.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H136 I4 O P8 Pt4 -","- C76 H126 I4 O P8 Pt4 -","- C152 H252 I8 O2 P16 Pt8 -","2","0.5","","Sankarasekaran Shanmugaraju; Harshal Jadhav; Yogesh P. Patil; Partha Sarathi Mukherjee","Self-Assembly of an Octanuclear Platinum(II) Tetragonal Prism from a New PtII4 Organometallic Star-Shaped Acceptor and Its Nitroaromatic Sensing Study","Inorganic Chemistry","2012","51","","13072","13074","10.1021/ic301716y","","","0.71073","MoKα","","0.0662","0.0447","","","0.0696","0.0753","","","","","","1.109","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331312","6.2849","0.0004","12.5728","0.0007","21.7514","0.0013","104.398","0.001","91.604","0.001","92.385","0.001","1662.04","0.17","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 La N O12 -","- C8 H14 La N O12 -","- C32 H56 La4 N4 O48 -","4","2","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0295","0.0232","","","0.0718","0.0796","","","","","","1.556","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4331313","9.0101","0.0007","8.6571","0.0007","21.0265","0.0017","90","","93.19","0.001","90","","1637.6","0.2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Ce N O12 -","- C8 H14 Ce N O12 -","- C32 H56 Ce4 N4 O48 -","4","0.5","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0213","0.0212","","","0.0614","0.0615","","","","","","1.446","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331314","8.9898","0.0007","8.6316","0.0007","20.9864","0.0016","90","","93.11","0.001","90","","1626.1","0.2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 N O12 Pr -","- C8 H14 N O12 Pr -","- C32 H56 N4 O48 Pr4 -","4","0.5","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0202","0.0197","","","0.0567","0.0569","","","","","","1.269","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331315","8.9585","0.0011","8.6012","0.001","21.014","0.003","90","","92.9167","0.0013","90","","1617.1","0.4","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 N Nd O12 -","- C8 H14 N Nd O12 -","- C32 H56 N4 Nd4 O48 -","4","0.5","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0313","0.0304","","","0.0826","0.0831","","","","","","1.099","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331316","8.903","0.003","8.533","0.003","20.973","0.008","90","","92.771","0.004","90","","1591.4","1","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 N O12 Sm -","- C8 H14 N O12 Sm -","- C32 H56 N4 O48 Sm4 -","4","0.5","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0325","0.0322","","","0.0773","0.0774","","","","","","1.929","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331317","8.883","0.0007","8.5107","0.0007","20.929","0.0016","90","","92.596","0.001","90","","1580.6","0.2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Eu N O12 -","- C8 H14 Eu N O12 -","- C32 H56 Eu4 N4 O48 -","4","0.5","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0164","0.0158","","","0.0449","0.0456","","","","","","1.167","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331318","8.8635","0.001","8.4868","0.0009","20.917","0.002","90","","92.515","0.001","90","","1571.9","0.3","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Gd N O12 -","- C8 H14 Gd N O12 -","- C32 H56 Gd4 N4 O48 -","4","0.5","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0223","0.0201","","","0.0506","0.0513","","","","","","1.204","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331319","8.8084","0.0016","8.4031","0.0015","20.874","0.004","90","","92.136","0.002","90","","1544","0.5","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Ho N O12 -","- C8 H14 Ho N O12 -","- C32 H56 Ho4 N4 O48 -","4","0.5","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0548","0.0525","","","0.1336","0.1339","","","","","","2.566","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331320","8.3811","0.0014","8.7062","0.0014","21.369","0.004","90","","96.6087","0.0018","90","","1548.9","0.5","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Er N O12 -","- C8 H12 Er0.959 N O12 -","- C32 H48 Er3.836 N4 O48 -","4","0.5","","Xiao-Yan Chen; George S. Goff; William C. Ewing; Brian L. Scott; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with α-Hydroxyisobutyric Acid","Inorganic Chemistry","2012","51","","13254","13263","10.1021/ic301775d","","","0.71073","MoKα","","0.0424","0.0415","","","0.142","0.1426","","","","","","1.303","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4331321","44.3182","0.0015","14.3574","0.0005","22.1404","0.0008","90","","108.042","0.001","90","","13395.1","0.8","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H64 Dy3 N13 O31 -","- C47 H57 Dy3 N13 O31 -","- C376 H456 Dy24 N104 O248 -","8","1","","Shufang Xue; Xiao-Hua Chen; Lang Zhao; Yun-Nan Guo; Jinkui Tang","Two Bulky-Decorated Triangular Dysprosium Aggregates Conserving Vortex-Spin Structure","Inorganic Chemistry","2012","51","","13264","13270","10.1021/ic301785v","","","0.71073","MoKα","","0.0549","0.0387","","","0.1087","0.1209","","","","","","1.05","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331322","22.759","0.003","22.759","0.003","25.477","0.005","90","","90","","120","","11428","3","191","2","191","2","","","","","","","","6","P 65","P 65","170","","","","- C103 H140 Cl8 Dy6 N14 O51 -","- C103 H96 Cl8 Dy6 N14 O51 -","- C309 H288 Cl24 Dy18 N42 O153 -","3","0.5","","Shufang Xue; Xiao-Hua Chen; Lang Zhao; Yun-Nan Guo; Jinkui Tang","Two Bulky-Decorated Triangular Dysprosium Aggregates Conserving Vortex-Spin Structure","Inorganic Chemistry","2012","51","","13264","13270","10.1021/ic301785v","","","0.71073","MoKα","","0.0564","0.0443","","","0.1329","0.1459","","","","","","1.077","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331323","5.8889","0.0008","5.8889","0.0008","7.6295","0.0015","90","","90","","120","","229.14","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 O8 V2 Y -","- K3 O8 V2 Y -","- K3 O8 V2 Y -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","x-ray","0.71073","MoKα","","0.0381","0.0381","","","0.0942","0.0942","","","","","","1.143","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331324","5.7638","0.0008","5.7638","0.0008","7.4746","0.0015","90","","90","","120","","215.05","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 O8 Sc V2 -","- K3 O8 Sc V2 -","- K3 O8 Sc V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0296","0.0291","","","0.0739","0.0743","","","","","","1.254","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331325","5.9016","0.0008","5.9016","0.0008","7.6047","0.0015","90","","90","","120","","229.38","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Dy K3 O8 V2 -","- Dy K3 O8 V2 -","- Dy K3 O8 V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0403","0.0403","","","0.1059","0.1059","","","","","","1.189","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331326","5.8453","0.0008","5.8453","0.0008","7.5694","0.0015","90","","90","","120","","223.98","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 O8 V2 Yb -","- K3 O8 V2 Yb -","- K3 O8 V2 Yb -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0332","0.0331","","","0.0749","0.0749","","","","","","1.17","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331327","5.8798","0.0008","5.8798","0.0008","7.6035","0.0015","90","","90","","120","","227.65","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Er K3 O8 V2 -","- Er K3 O8 V2 -","- Er K3 O8 V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0228","0.0228","","","0.051","0.051","","","","","","1.156","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331328","5.8495","0.0008","5.8495","0.0008","7.5737","0.0015","90","","90","","120","","224.43","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ho K3 O8 V2 -","- Ho K3 O8 V2 -","- Ho K3 O8 V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0359","0.0308","","","0.0521","0.057","","","","","","1.19","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331329","5.855","0.002","5.855","0.002","7.578","0.003","90","","90","","120","","224.98","0.14","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 Lu O8 V2 -","- K3 Lu O8 V2 -","- K3 Lu O8 V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0234","0.0234","","","0.0587","0.0587","","","","","","1.398","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331330","5.8835","0.0008","5.8835","0.0008","7.6085","0.0015","90","","90","","120","","228.09","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K3 O8 Tm V2 -","- K3 O8 Tm V2 -","- K3 O8 Tm V2 -","1","0.0833333","","Martin M. Kimani; Lindsey Thompson; Whitney Snider; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Spectroscopic Properties of a New Glaserite Material, K3RE(VO4)2 (RE = Sc, Y, Dy, Ho, Er, Yb, Lu, or Tm) with Potential Lasing and Optical Properties","Inorganic Chemistry","2012","51","","13271","13280","10.1021/ic301922e","","","0.71073","MoKα","","0.0354","0.0345","","","0.0822","0.0831","","","","","","1.224","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331331","13.125","0.003","4.4012","0.0009","29.823","0.006","90","","90","","90","","1722.7","0.6","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba3 Sn Bi2 Se8","Ba3 Sn Bi2 Se8","","- Ba Bi Se Sn -","- Ba Bi0.711333 Se2.66667 Sn0.288667 -","- Ba12 Bi8.536 Se32 Sn3.464 -","12","1.5","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.0434","0.0379","","","0.0868","0.0903","","","","","","1.045","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331332","12.8036","0.0009","29.016","0.002","12.8192","0.0009","90","","90","","90","","4762.5","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Bi2.65 Ge0.68 Se8 Sr2.67 -","- Bi2.65767 Ge0.681 Se8 Sr2.66133 -","- Bi31.892 Ge8.172 Se96 Sr31.936 -","12","3","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.0851","0.0451","","","0.1129","0.1362","","","","","","1.007","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331333","12.8349","0.0015","29.068","0.003","12.8475","0.0015","90","","90","","90","","4793.2","0.9","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Bi7 Ge2 Se24 Sr8 Y -","- Bi7 Ge2 Se24 Sr8.1 Y0.99 -","- Bi28 Ge8 Se96 Sr32.4 Y3.96 -","4","1","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.115","0.0499","","","0.101","0.1256","","","","","","1.041","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331334","12.9745","0.0007","4.2352","0.0002","29.0919","0.0015","90","","90","","90","","1598.59","0.14","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Sr3 Sn Bi2 Se8","","","- Bi2 Se8 Sn Sr3 -","- Bi2.041 Se8 Sn0.959 Sr3 -","- Bi8.164 Se32 Sn3.836 Sr12 -","4","0.5","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.0373","0.0354","","","0.0908","0.092","","","","","","1.092","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331335","12.715","0.003","4.5509","0.0009","29.66","0.006","90","","90","","90","","1716.3","0.6","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba3 Sn Sb2 Se8","Ba3 Sn Sb2 Se8","","- Ba3 Sb2 Se8 Sn -","- Ba3 Sb2 Se8 Sn -","- Ba12 Sb8 Se32 Sn4 -","4","0.5","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.056","0.0448","","","0.1014","0.1092","","","","","","1.09","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331336","10.0395","0.0008","17.3604","0.0014","33.167","0.003","90","","91.2611","0.001","90","","5779.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[v(pme3)2(ntbu)2(2,6-xylylisocyanide)][al(pftb)]","[v(pme3)2(ntbu)2(2,6-xylylisocyanide)][al(pftb)4]","","- C39 H45 Al F36 N3 O4 P2 V -","- C39 H45 Al F36 N3 O4 P2 V -","- C156 H180 Al4 F144 N12 O16 P8 V4 -","4","1","","Henry S. La Pierre; John Arnold; Robert G. Bergman; F. Dean Toste","Carbon Monoxide, Isocyanide, and Nitrile Complexes of Cationic, d0 Vanadium Bisimides: π-Back Bonding Derived from the π Symmetry, Bonding Metal Bisimido Ligand Orbitals","Inorganic Chemistry","2012","51","","13334","13344","10.1021/ic302044q","","","0.71073","mokα","","0.0735","0.0572","","","0.12","0.1324","","","","","","1.02","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331337","9.658","0.0011","14.132","0.0016","20.637","0.002","90","","103.469","0.0019","90","","2739.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Cl N2 P2 V -","- C20 H48 Cl N2 P2 V -","- C80 H192 Cl4 N8 P8 V4 -","4","1","","Henry S. La Pierre; John Arnold; Robert G. Bergman; F. Dean Toste","Carbon Monoxide, Isocyanide, and Nitrile Complexes of Cationic, d0 Vanadium Bisimides: π-Back Bonding Derived from the π Symmetry, Bonding Metal Bisimido Ligand Orbitals","Inorganic Chemistry","2012","51","","13334","13344","10.1021/ic302044q","","","0.71073","MoKα","","0.1292","0.1002","","","0.1581","0.1654","","","","","","1.363","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331338","13.2117","0.0008","10.7029","0.0007","14.2493","0.0009","90","","105.65","0.001","90","","1940.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 Ca11 Pb3 -","- C8 Ca11 Pb3 -","- C32 Ca44 Pb12 -","4","1","","Trevor V. Blankenship; Adrian Lita; Susan E. Latturner","Ca11E3C8 (E = Sn, Pb): New Complex Carbide Zintl Phases Grown from Ca/Li Flux","Inorganic Chemistry","2012","51","","13345","13350","10.1021/ic3020833","","","0.71073","MoKα","","0.0313","0.0259","","","0.0558","0.0576","","","","","","1.084","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331339","13.1877","0.0009","10.6915","0.0007","14.2148","0.0009","90","","105.649","0.001","90","","1929.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 Ca11 Sn3 -","- C8 Ca11 Sn3 -","- C32 Ca44 Sn12 -","4","1","","Trevor V. Blankenship; Adrian Lita; Susan E. Latturner","Ca11E3C8 (E = Sn, Pb): New Complex Carbide Zintl Phases Grown from Ca/Li Flux","Inorganic Chemistry","2012","51","","13345","13350","10.1021/ic3020833","","","0.71073","MoKα","","0.0202","0.019","","","0.0425","0.0429","","","","","","1.242","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331340","22.5477","0.0009","7.2491","0.0002","24.0173","0.0009","90","","116.41","0.003","90","","3515.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N4 Ni P4 S16 -","- C12 H22 N4 Ni P4 S16 -","- C48 H88 N16 Ni4 P16 S64 -","4","1","","Jason A. Cody; Kenneth B. Finch; Gilbert J. Reynders; Grant C. B. Alexander; Hyung G. Lim; Christian Näther; Wolfgang Bensch","Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2-, [Ni(P3S9)(P2S8)]3-, [Ni(P3S9)2]4-, and [(NiP3S8)4(PS4)]7-","Inorganic Chemistry","2012","51","","13357","13362","10.1021/ic302112g","","","0.71073","MoKα","","0.0532","0.0356","","","0.0782","0.0838","","","","","","1.008","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4331341","7.2317","0.0005","17.7138","0.0009","13.4488","0.0009","90","","93.637","0.008","90","","1719.33","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H22 N4 Ni P4 S16 -","- C12 H22 N4 Ni P4 S16 -","- C24 H44 N8 Ni2 P8 S32 -","2","1","","Jason A. Cody; Kenneth B. Finch; Gilbert J. Reynders; Grant C. B. Alexander; Hyung G. Lim; Christian Näther; Wolfgang Bensch","Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2-, [Ni(P3S9)(P2S8)]3-, [Ni(P3S9)2]4-, and [(NiP3S8)4(PS4)]7-","Inorganic Chemistry","2012","51","","13357","13362","10.1021/ic302112g","","","0.71073","MoKα","","0.0625","0.0478","","","0.1122","0.1194","","","","","","0.994","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331342","11.8394","0.0002","20.0693","0.0003","56.7184","0.0013","90","","90","","90","","13476.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N6 Ni P5 S17 -","- C18 H33 N6 Ni P5 S17 -","- C216 H396 N72 Ni12 P60 S204 -","12","3","","Jason A. Cody; Kenneth B. Finch; Gilbert J. Reynders; Grant C. B. Alexander; Hyung G. Lim; Christian Näther; Wolfgang Bensch","Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2-, [Ni(P3S9)(P2S8)]3-, [Ni(P3S9)2]4-, and [(NiP3S8)4(PS4)]7-","Inorganic Chemistry","2012","51","","13357","13362","10.1021/ic302112g","","","0.71073","MoKα","","0.0487","0.0444","","","0.1196","0.1222","","","","","","1.049","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331343","22.0276","0.0014","12.2186","0.0007","22.3472","0.0012","90","","119.397","0.006","90","","5240.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 N8 Ni P6 S18 -","- C24 H44 N8 Ni P6 S18 -","- C96 H176 N32 Ni4 P24 S72 -","4","0.5","","Jason A. Cody; Kenneth B. Finch; Gilbert J. Reynders; Grant C. B. Alexander; Hyung G. Lim; Christian Näther; Wolfgang Bensch","Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2-, [Ni(P3S9)(P2S8)]3-, [Ni(P3S9)2]4-, and [(NiP3S8)4(PS4)]7-","Inorganic Chemistry","2012","51","","13357","13362","10.1021/ic302112g","","","0.71073","MoKα","","0.0543","0.038","","","0.0856","0.0916","","","","","","0.991","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4331344","10.5512","0.0007","16.0948","0.001","32.066","0.002","100.936","0.008","91.108","0.008","105.42","0.007","5140.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H77 N14 Ni4 P13 S36 -","- C42 H77 N14 Ni4 P13 S36 -","- C84 H154 N28 Ni8 P26 S72 -","2","1","","Jason A. Cody; Kenneth B. Finch; Gilbert J. Reynders; Grant C. B. Alexander; Hyung G. Lim; Christian Näther; Wolfgang Bensch","Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2-, [Ni(P3S9)(P2S8)]3-, [Ni(P3S9)2]4-, and [(NiP3S8)4(PS4)]7-","Inorganic Chemistry","2012","51","","13357","13362","10.1021/ic302112g","","","0.71073","MoKα","","0.1433","0.0554","","","0.1049","0.1309","","","","","","0.862","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4331345","7.8121","0.0002","7.9612","0.0003","13.1728","0.0007","90","","90","","90","","819.27","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 Mn N O7 -","- C3 H7 Mn N O7 -","- C12 H28 Mn4 N4 O28 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.047","0.0267","","","0.0487","0.0513","","","","","","0.919","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331346","7.6839","0.0003","7.7555","0.0003","13.0195","0.0006","90","","90","","90","","775.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 Co N O7 -","- C3 H7 Co N O7 -","- C12 H28 Co4 N4 O28 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.0561","0.0301","","","0.0543","0.058","","","","","","0.947","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331347","7.6225","0.0002","7.7814","0.0002","12.728","0.0004","90","","90","","90","","754.95","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N Ni O7 -","- C3 H7 N Ni O7 -","- C12 H28 N4 Ni4 O28 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.0435","0.0302","","","0.0597","0.0623","","","","","","0.987","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331348","7.6892","0.0002","7.7385","0.0002","13.0205","0.0004","90","","90","","90","","774.76","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O7 Zn -","- C3 H7 N O7 Zn -","- C12 H28 N4 O28 Zn4 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.0233","0.019","","","0.0445","0.0454","","","","","","0.991","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331349","7.6883","0.0002","7.7875","0.0002","12.8558","0.0004","90","","90","","90","","769.71","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 Mg N O7 -","- C3 H7 Mg N O7 -","- C12 H28 Mg4 N4 O28 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.0314","0.0263","","","0.0722","0.0741","","","","","","1.137","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331350","6.9992","0.0001","6.9992","0.0001","11.8201","0.0003","90","","90","","90","","579.053","0.019","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 La O7 S -","- C H3 La O7 S -","- C4 H12 La4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0123","0.0121","","","0.0272","0.0273","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331351","6.9967","0.0003","6.9967","0.0003","11.778","0.0011","90","","90","","90","","576.58","0.06","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 Ce O7 S -","- C H3 Ce O7 S -","- C4 H12 Ce4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0132","0.013","","","0.0317","0.0318","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331352","6.9873","0.0005","6.9873","0.0005","11.7373","0.0017","90","","90","","90","","573.04","0.1","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 O7 Pr S -","- C H3 O7 Pr S -","- C4 H12 O28 Pr4 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0174","0.0173","","","0.0404","0.0405","","","","","","1.055","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331353","6.9724","0.0004","6.9724","0.0004","11.7007","0.0016","90","","90","","90","","568.82","0.09","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 Nd O7 S -","- C H3 Nd O7 S -","- C4 H12 Nd4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0224","0.0224","","","0.0564","0.0564","","","","","","1.15","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331354","6.9111","0.0016","6.9111","0.0016","11.604","0.005","90","","90","","90","","554.2","0.3","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 Eu O7 S -","- C H3 Eu O7 S -","- C4 H12 Eu4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0194","0.0191","","","0.0448","0.045","","","","","","1.041","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331355","7.0078","0.0003","7.0078","0.0003","11.8399","0.0008","90","","90","","90","","581.45","0.05","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 La O7 S -","- C H3 La O7 S -","- C4 H12 La4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0154","0.0151","","","0.0323","0.0324","","","","","","1.066","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331356","6.9951","0.0003","6.9951","0.0003","11.7739","0.001","90","","90","","90","","576.11","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 Ce O7 S -","- C H3 Ce O7 S -","- C4 H12 Ce4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0144","0.0143","","","0.0336","0.0337","","","","","","1.044","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331357","6.9706","0.0003","6.9706","0.0003","11.6921","0.001","90","","90","","90","","568.11","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 Nd O7 S -","- C H3 Nd O7 S -","- C4 H12 Nd4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0155","0.0154","","","0.0355","0.0355","","","","","","1.13","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331358","6.913","0.0005","6.913","0.0005","11.5956","0.0018","90","","90","","90","","554.15","0.1","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 Eu O7 S -","- C H3 Eu O7 S -","- C4 H12 Eu4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0164","0.0163","","","0.0388","0.0389","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331359","12.94","0.04","14.87","0.04","17.42","0.05","100.33","0.07","107.34","0.06","109.56","0.07","2866","15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H92 Li O8 -","- C56 H92 Li O8 -","- C112 H184 Li2 O16 -","2","1","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.1376","0.0749","","","0.157","0.1802","","","","","","1.002","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331360","26.1333","0.0009","12.6759","0.0004","32.1125","0.0012","90","","102.395","0.004","90","","10389.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H156 Cl4 Na2 O12 -","- C98 H156 Cl4 Na2 O12 -","- C392 H624 Cl16 Na8 O48 -","4","0.5","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.1272","0.0793","","","0.1936","0.2231","","","","","","1.047","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331361","28.303","0.016","25.16","0.014","15.445","0.009","90","","120.72","0.006","90","","9455","9","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H136 K2 O10 -","- C88 H136 K2 O10 -","- C352 H544 K8 O40 -","4","1","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.2412","0.0786","","","0.1687","0.248","","","","","","0.965","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331362","17.39","0.005","23.311","0.007","11.32","0.003","90","","90","","90","","4589","2","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C88 H134 Li2 O10 -","- C88 H134 Li2 O10 -","- C176 H268 Li4 O20 -","2","0.5","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.1788","0.0774","","","0.1639","0.2167","","","","","","0.92","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331363","17.406","0.013","23.338","0.017","11.34","0.008","90","","90","","90","","4607","6","566","2","566","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C88 H134 Li4 O10 -","- C88 H134 Li4 O10 -","- C176 H268 Li8 O20 -","2","0.5","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.2289","0.0784","","","0.098","0.1286","","","","","","1.025","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331364","16.749","0.002","22.288","0.003","24.722","0.004","90","","98.877","0.002","90","","9118","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C91 H134 Na3 O9 -","- C91 H134 Na3 O9 -","- C364 H536 Na12 O36 -","4","1","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.1906","0.0783","","","0.1458","0.1755","","","","","","0.974","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331365","35.298","0.009","14.342","0.004","19.574","0.005","90","","106.594","0.002","90","","9497","4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H132 K3 O10 -","- C88 H132 K3 O10 -","- C352 H528 K12 O40 -","4","1","","Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu","Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2012","51","","13380","13389","10.1021/ic302193y","","","0.71073","MoKα","","0.2214","0.0826","","","0.1839","0.2548","","","","","","0.947","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331366","5.481","0.0002","5.481","0.0002","15.986","0.0006","90","","90","","90","","480.24","0.03","100","2","100","2","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","Ba2ThS6","","","- Ba2 S6 Th -","- Ba2 S6 Th -","- Ba4 S12 Th2 -","2","0.125","","Adel Mesbah; Emilie Ringe; Sébastien Lebègue; Richard P. Van Duyne; James A. Ibers","Ba2An(S2)2S2 (An = U, Th): Syntheses, Structures, Optical, and Electronic Properties","Inorganic Chemistry","2012","51","","13390","13395","10.1021/ic302223m","","","0.71073","MoKα","","0.027","0.0187","","","0.0378","0.0401","","","","","","1.16","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331367","5.4145","0.0002","5.4145","0.0002","15.7322","0.0005","90","","90","","90","","461.22","0.03","100","2","100","2","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","Ba2US6","","","- Ba2 S6 U -","- Ba2 S6 U -","- Ba4 S12 U2 -","2","0.125","","Adel Mesbah; Emilie Ringe; Sébastien Lebègue; Richard P. Van Duyne; James A. Ibers","Ba2An(S2)2S2 (An = U, Th): Syntheses, Structures, Optical, and Electronic Properties","Inorganic Chemistry","2012","51","","13390","13395","10.1021/ic302223m","","","0.71073","MoKα","","0.0183","0.0144","","","0.0339","0.0346","","","","","","1.651","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331368","31.4836","0.0004","21.5215","0.0003","14.8344","0.0002","90","","112.129","0.002","90","","9311","0.3","120","1","120","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C68 H88 Au6 Fe3 N36 O8 -","- C68 H72 Au6 Fe3 N36 O8 -","- C272 H288 Au24 Fe12 N144 O32 -","4","0.5","","Francisco J. Muñoz-Lara; Ana B. Gaspar; M. Carmen Muñoz; Andrey B. Lysenko; Konstantin V. Domasevitch; José Antonio Real","Fast Detection of Water and Organic Molecules by a Change of Color in an Iron(II) Microporous Spin-Crossover Coordination Polymer","Inorganic Chemistry","2012","51","","13078","13080","10.1021/ic302287w","","","0.71073","MoKα","","0.0473","0.0379","","","0.0939","0.101","","","","","","0.931","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331369","12.567","0.0003","16.2125","0.0003","13.8581","0.0004","90","","104.43","0.001","90","","2734.41","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Be Cl N2 -","- C29 H41 Be Cl N2 -","- C116 H164 Be4 Cl4 N8 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.0572","0.0388","","","0.0942","0.1063","","","","","","1.023","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331370","12.3882","0.0001","17.2714","0.0002","13.8765","0.0001","90","","104.228","0.001","90","","2877.96","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Be I N2 -","- C29 H41 Be I N2 -","- C116 H164 Be4 I4 N8 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.0465","0.0292","","","0.0684","0.0766","","","","","","1.04","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331371","12.529","0.0005","16.5067","0.0009","13.8582","0.0005","90","","104.395","0.003","90","","2776.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Be N2 -","- C30 H44 Be N2 -","- C120 H176 Be4 N8 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.1833","0.0605","","","0.1131","0.1537","","","","","","0.988","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331372","10.8395","0.0001","20.6665","0.0003","13.8904","0.0002","90","","93.982","0.001","90","","3104.14","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Be N2 -","- C33 H50 Be N2 -","- C132 H200 Be4 N8 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.0805","0.0619","","","0.1638","0.1798","","","","","","1.057","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331373","12.6193","0.0002","16.0927","0.0004","13.7326","0.0003","90","","104.435","0.0013","90","","2700.76","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Be N2 O -","- C29 H42 Be N2 O -","- C116 H168 Be4 N8 O4 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.0698","0.0455","","","0.1083","0.1222","","","","","","1.033","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331374","17.2222","0.0002","9.0102","0.0001","20.3315","0.0003","90","","91.8612","0.0005","90","","3153.29","0.07","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H50 Be N2 O -","- C33 H50 Be N2 O -","- C132 H200 Be4 N8 O4 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.0666","0.0487","","","0.1149","0.1259","","","","","","1.039","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331375","8.8001","0.0002","17.9041","0.0005","20.3625","0.0006","90","","90","","90","","3208.27","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 Be N2 O -","- C35 H46 Be N2 O -","- C140 H184 Be4 N8 O4 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.1058","0.0508","","","0.1024","0.1226","","","","","","1.014","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4331376","18.2273","0.0008","8.6294","0.0004","40.26","0.002","90","0.0018","99.0372","0.0014","90","","6253.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Be N3 -","- C35 H47 Be N3 -","- C280 H376 Be8 N24 -","8","2","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.0993","0.0499","","","0.1137","0.1323","","","","","","1.026","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331377","9.1722","0.0001","10.5996","0.0002","20.439","0.0004","91.472","0.001","92.382","0.001","114.454","0.001","1805.28","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H59 Be N3 Si2 -","- C35 H59 Be N3 Si2 -","- C70 H118 Be2 N6 Si4 -","2","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.0413","0.0386","","","0.1","0.1023","","","","","","1.062","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331378","18.2948","0.0002","18.8402","0.0003","25.1512","0.0004","90","","90","","90","","8669.1","0.2","150","2","150","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C82 H128.83 Be2 Cl2 K2 N4 O12 -","- C82 H128.832 Be2 Cl2 K2 N4 O12 -","- C328 H515.328 Be8 Cl8 K8 N16 O48 -","4","0.5","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.1082","0.058","","","0.1392","0.1645","","","","","","1.016","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4331379","6.1671","0.0012","10.707","0.002","7.1427","0.0014","90","","113.24","0.03","90","","433.37","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","triethylaminemonochloroborane","","","- C6 H17 B Cl N -","- C6 H17 B Cl N -","- C12 H34 B2 Cl2 N2 -","2","1","","Hima K. Lingam; Cong Wang; Judith C. Gallucci; Xuenian Chen; Sheldon G. Shore","New Syntheses and Structural Characterization of NH3BH2Cl and (BH2NH2)3 and Thermal Decomposition Behavior of NH3BH2Cl","Inorganic Chemistry","2012","51","","13430","13436","10.1021/ic302308v","","","0.71073","MoKα","","0.024","0.0222","","","0.0523","0.0532","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331380","6.7034","0.0012","5.9235","0.0013","8.292","0.0017","90","","90","","90","","329.26","0.12","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","AMMONIA MONOCHLOROBORANE","","","- B Cl H5 N -","- B Cl H5 N -","- B4 Cl4 H20 N4 -","4","0.5","","Hima K. Lingam; Cong Wang; Judith C. Gallucci; Xuenian Chen; Sheldon G. Shore","New Syntheses and Structural Characterization of NH3BH2Cl and (BH2NH2)3 and Thermal Decomposition Behavior of NH3BH2Cl","Inorganic Chemistry","2012","51","","13430","13436","10.1021/ic302308v","","","0.71073","MoKα","","0.0279","0.023","","","0.0427","0.0442","","","","","","1.095","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331381","4.383","0.002","12.193","0.002","11.18","0.002","90","","90","","90","","597.5","0.3","180","2","180","2","","","","","","","","3","P b c m","-P 2c 2b","57","cyclotriborazane","","","- B3 H12 N3 -","- B3 H12 N3 -","- B12 H48 N12 -","4","0.5","","Hima K. Lingam; Cong Wang; Judith C. Gallucci; Xuenian Chen; Sheldon G. Shore","New Syntheses and Structural Characterization of NH3BH2Cl and (BH2NH2)3 and Thermal Decomposition Behavior of NH3BH2Cl","Inorganic Chemistry","2012","51","","13430","13436","10.1021/ic302308v","","","0.71073","MoKα","","0.0939","0.0445","","","0.0963","0.1144","","","","","","1.012","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331382","13.5298","0.0005","15.8653","0.0007","13.5839","0.0005","90","","90","","90","","2915.8","0.2","100","2","100","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C24 H36 F6 Lu N6 O6 P -","- C24 H36 F6 Lu N6 O6 P -","- C96 H144 F24 Lu4 N24 O24 P4 -","4","0.5","","Aurora Rodríguez-Rodríguez; David Esteban-Gómez; Andrés de Blas; Teresa Rodríguez-Blas; Mauro Botta; Raphaël Tripier; Carlos Platas-Iglesias","Solution Structure of Ln(III) Complexes with Macrocyclic Ligands Through Theoretical Evaluation of 1H NMR Contact Shifts","Inorganic Chemistry","2012","51","","13419","13429","10.1021/ic302322r","","x-ray","0.71073","MoKα","","0.0354","0.0211","","","0.0403","0.0447","","","","","","1.033","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331383","13.5742","0.0006","15.9896","0.0008","13.6143","0.0006","90","","90","","90","","2954.9","0.2","100","2","100","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C24 H36 Eu F6 N6 O6 P -","- C24 H36 Eu F6 N6 O6 P -","- C96 H144 Eu4 F24 N24 O24 P4 -","4","0.5","","Aurora Rodríguez-Rodríguez; David Esteban-Gómez; Andrés de Blas; Teresa Rodríguez-Blas; Mauro Botta; Raphaël Tripier; Carlos Platas-Iglesias","Solution Structure of Ln(III) Complexes with Macrocyclic Ligands Through Theoretical Evaluation of 1H NMR Contact Shifts","Inorganic Chemistry","2012","51","","13419","13429","10.1021/ic302322r","","x-ray","0.71073","MoKα","","0.0372","0.0224","","","0.0438","0.0486","","","","","","1.038","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331384","6.9876","0.0004","6.9876","0.0004","11.7374","0.0015","90","","90","","90","","573.1","0.09","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 O7 Pr S -","- C H3 O7 Pr S -","- C4 H12 O28 Pr4 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.017","0.0169","","","0.0414","0.0415","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331457","5.2127","0.0002","5.2127","0.0002","11.4523","0.0011","90","","90","","90","","311.18","0.03","293","2","293","","","","","","","","","4","I -4(\a\-b0,\b\a0)00","","","Na0.286Gd0.571MoO4","sodium gadolinium molybdenum oxide","","- Gd0.571 Mo Na0.286 O4 -","- Gd0.57145 Mo Na0.2857 O4 -","- Gd2.2858 Mo4 Na1.1428 O16 -","4","","","Vladimir A. Morozov; Alla V. Arakcheeva; Boris S. Redkin; Vitaliy V. Sinitsyn; Salavat S. Khasanov; Elena V. Kudrenko; Maria V. Raskina; Oleg I. Lebedev; Gustaaf Van Tendeloo","Na2/7Gd4/7MoO4: a Modulated Scheelite-Type Structure and Conductivity Properties","Inorganic Chemistry","2012","51","","5313","5324","10.1021/ic300221m","","","0.7107","MoKα","","0.0538","0.0349","","","0.0473","0.0489","","","","2.46","2.46","2.02","","","","has coordinates","176724","2020-10-21","18:00:00",""
"4331458","7.9386","0.0002","7.9386","0.0002","5.2641","0.0003","90","","90","","90","","331.75","0.02","293","","293","","","","","","","","","4","P-42_1m(a,a,0)00s(-a,a,0)000","","","","","","- Ca1.033 Ga3 La0.967 O7 -","- Ca1.0672 Ga3 La0.9328 O7 -","- Ca2.1344 Ga6 La1.8656 O14 -","2","","","Fengxia Wei; Tom Baikie; Tao An; Christian Kloc; Jun Wei; Tim J. White","Crystal Chemistry of Melilite [CaLa]2[Ga]2[Ga2O7]2: a Five Dimensional Solid Electrolyte","Inorganic Chemistry","2012","51","","5941","5949","10.1021/ic300585t","","x-ray","0.71073","","","0.0568","0.0568","","","0.0851","0.0851","","","","3.7","3.7","3.7","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331459","22.577","0.006","11.905","0.002","14.423","0.006","90","","91.35","0.03","90","","3876","2","100","2","100","2","","","","","","","","5","P21/c(0\b0)s0","","","","poly-{[tris(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O')- hexaacuadigadolinium(III)]tridecahydrate}","","- C18 H56 Gd2 N6 O31 -","- C18 H6 Gd2 N6 O31 -","- C72 H24 Gd8 N24 O124 -","4","","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","0.71073","MoKα","","0.1504","0.0871","","","0.1091","0.1206","","","","2.73","2.73","2.13","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331460","6.2031","0.0005","6.8416","0.0005","18.0468","0.0014","90","","90","","90","","765.89","0.1","100","0.3","100","0.3","","","","","","","","4","P21/m(\a0\g)0s","","","","","","- Cs P S4 Sn -","- Cs P S4 Sn -","- Cs4 P4 S16 Sn4 -","4","","","Santanu Banerjee; Christos D. Malliakas; Mercouri G. Kanatzidis","New Layered Tin(II) Thiophosphates ASnPS4 (A = K, Rb, Cs): Synthesis, Structure, Glass Formation, and the Modulated CsSnPS4","Inorganic Chemistry","2012","51","","11562","11573","10.1021/ic301456m","","","0.71073","","","0.11","0.0618","","","0.1349","0.1491","","","","1.78","1.78","1.45","","","","has coordinates","176724","2020-10-21","18:00:00",""
"4331461","4.2881","0.0013","9.14","0.004","12.926","0.007","90","","90","","90","","506.6","0.4","293","","293","","","","","","","","","4","Fmmm(\a00)0s0","","","","","","- Ho3.736 Pd1.992 Pt2.008 Zn26.772 -","- Ho3.728 Pd1.992 Pt2.008 Zn28.272 -","- Ho3.728 Pd1.992 Pt2.008 Zn28.272 -","1","","","Partha P. Jana; Sven Lidin","Structural Impact of Platinum on the Incommensurably Modulated γ-Brass Related Composite Structure Pd15Zn54","Inorganic Chemistry","2012","51","","9893","9901","10.1021/ic301326p","","","0.71073","MoKα","","0.0513","0.044","","","0.0992","0.1011","","","","2.43","2.43","2.27","","","","has coordinates,has Fobs","179417","2020-10-21","18:00:00",""
"4331462","4.2652","0.0006","9.1319","0.0012","12.928","0.0015","90","","90","","90","","503.54","0.11","293","","293","","","","","","","","","4","Fmmm(\a00)0s0","","","","","","- Nd3.626 Pd2.861 Pt1.139 Zn26.89 -","- Nd3.632 Pd2.86 Pt1.14 Zn28.368 -","- Nd3.632 Pd2.86 Pt1.14 Zn28.368 -","1","","","Partha P. Jana; Sven Lidin","Structural Impact of Platinum on the Incommensurably Modulated γ-Brass Related Composite Structure Pd15Zn54","Inorganic Chemistry","2012","51","","9893","9901","10.1021/ic301326p","","","0.71073","MoKα","","0.0527","0.0319","","","0.0938","0.1043","","","","1.45","1.45","1.36","","","","has coordinates,has Fobs","179417","2020-10-21","18:00:00",""
"4331463","4.2837","0.0011","9.151","0.002","12.948","0.004","90","","90","","90","","507.6","0.2","293","","293","","","","","","","","","4","Fmmm(\a00)0s0","","","","","","- Pd2.496 Pm3.965 Pt1.504 Zn26.546 -","- Pd2.496 Pm3.968 Pt1.504 Zn28.032 -","- Pd2.496 Pm3.968 Pt1.504 Zn28.032 -","1","","","Partha P. Jana; Sven Lidin","Structural Impact of Platinum on the Incommensurably Modulated γ-Brass Related Composite Structure Pd15Zn54","Inorganic Chemistry","2012","51","","9893","9901","10.1021/ic301326p","","","0.7107","MoKα","","0.0391","0.0335","","","0.0878","0.09","","","","2.21","2.21","2.09","","","","has coordinates,has Fobs","179417","2020-10-21","18:00:00",""
"4345980","15.984","0.009","20.991","0.012","26.596","0.016","90","","101.21","0.02","90","","8753","9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H58.51 N6 O26 P6 S2 -","- C20 H58.512 N6 O25.994 P6 S2 -","- C160 H468.096 N48 O207.952 P48 S16 -","8","1","","Saeed, Musabbir A.; Pramanik, Avijit; Hossain, Md. Alamgir","Phosphate binding with a thiophene-based azamacrocycle in water","Inorganic Chemistry Communications","2012","21","","32","34","10.1016/j.inoche.2012.04.003","","","0.71073","MoKα","","0.1807","0.1513","","","0.3848","0.4086","","","","","","1.347","","","","has coordinates,has disorder","210524","2020-10-21","18:00:00",""
"4345983","25.3679","0.0003","13.5811","0.0002","26.1203","0.0003","90","","117.98","0.0006","90","","7947.2","0.18","243","2","243","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","[Os(bpy)2(dppcb)PtCl2](SbF6)2","","- C72 H60 Cl2 F12 N4 Os P4 Pt Sb2 -","- C72 H60 Cl2 F12 N4 Os P4 Pt Sb2 -","- C288 H240 Cl8 F48 N16 Os4 P16 Pt4 Sb8 -","4","1","","Sylvia Eller; Barbara Trettenbrein; Dennis Oberhuber; Christof Strabler; Rene Gutmann; Wytze E. van der Veer; Markus Ruetz; Holger Kopacka; Dagmar Obendorf; Peter Bruggeller","Oxidative quenching within photosensitizer-acceptor dyads based on bis(bidentate) phosphine-connected osmium(II) bipyridyl light absorbers and reactive metal sites","Inorganic Chemistry Communications","2012","23","","41","45","10.1016/j.inoche.2012.06.001","","","0.71073","MoKα","","0.0924","0.0469","","","0.116","0.1933","","","","","","1.03","","","","has coordinates","205244","2020-10-21","18:00:00",""
"4345984","14.2521","0.0002","15.3117","0.0002","20.8233","0.0003","107.914","0.0009","97.9066","0.0008","97.472","0.0009","4210.51","0.11","243","2","243","2","","","","","","","","9","P -1","-P 1","2","","[Os(bpy)2(dppcb)PdCl2](SbF6)2","","- C75.75 H64 Cl9.5 F12 N4 Os P4 Pd Sb2 -","- C75.75 H64 Cl9.5 F12 N4 Os P4 Pd Sb2 -","- C151.5 H128 Cl19 F24 N8 Os2 P8 Pd2 Sb4 -","2","1","","Sylvia Eller; Barbara Trettenbrein; Dennis Oberhuber; Christof Strabler; Rene Gutmann; Wytze E. van der Veer; Markus Ruetz; Holger Kopacka; Dagmar Obendorf; Peter Bruggeller","Oxidative quenching within photosensitizer-acceptor dyads based on bis(bidentate) phosphine-connected osmium(II) bipyridyl light absorbers and reactive metal sites","Inorganic Chemistry Communications","2012","23","","41","45","10.1016/j.inoche.2012.06.001","","","0.71073","MoKα","","0.1075","0.0728","","","0.1709","0.2489","","","","","","1.027","","","","has coordinates","205245","2020-10-21","18:00:00",""
"4345985","13.4008","0.0004","20.3568","0.0006","26.6117","0.0007","90","","97.937","0.001","90","","7190.1","0.4","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Os(bpy)2(dppcbO2)](PF6)2","","- C72 H60 F12 N4 O2 Os P6 -","- C72 H60 F12 N4 O2 Os P6 -","- C288 H240 F48 N16 O8 Os4 P24 -","4","1","","Sylvia Eller; Barbara Trettenbrein; Dennis Oberhuber; Christof Strabler; Rene Gutmann; Wytze E. van der Veer; Markus Ruetz; Holger Kopacka; Dagmar Obendorf; Peter Bruggeller","Oxidative quenching within photosensitizer-acceptor dyads based on bis(bidentate) phosphine-connected osmium(II) bipyridyl light absorbers and reactive metal sites","Inorganic Chemistry Communications","2012","23","","41","45","10.1016/j.inoche.2012.06.001","","","0.71073","MoKα","","0.048","0.042","","","0.1101","0.12","","","","","","1.048","","","","has coordinates","205246","2020-10-21","18:00:00",""
"4350787","10.0015","0.0012","32.004","0.004","26.426","0.003","90","","90","","90","","8458.6","1.8","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(2-(1-naphthyl)ethynyl)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum toluene solvate dihydrate","","- C98 H100 B3 O12 Ta3 -","- C118 H126 B3 O12 Ta3 -","- C472 H504 B12 O48 Ta12 -","4","0.5","","Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine","On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities","Inorganic Chemistry","2012","51","","10384","10393","10.1021/ic3015755","","","","","","","0.0584","","","0.0584","","","","","","","","","","","has coordinates","260383","2021-01-03","16:04:15",""
"4350788","15.1087","0.0005","15.1087","0.0005","15.1087","0.0005","94.35","","94.35","","94.35","","3417.5","0.2","","","296","","","","","","","","","5","R 3 c :R","P 3* -2n","161","","(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(benzyloxy)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum acetone solvate","","- C72 H86 B3 O14 Ta3 -","- C76 H96 B3 O14 Ta3 -","- C152 H192 B6 O28 Ta6 -","2","0.333333","","Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine","On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities","Inorganic Chemistry","2012","51","","10384","10393","10.1021/ic3015755","","","","","","","0.0265","","","0.0265","","","","","","","","","","","has coordinates","260384","2021-01-03","16:04:29",""
"4350789","12.3989","0.0012","12.527","0.0012","22.486","0.002","78.317","0.001","76.609","0.001","77.798","0.001","3277.3","0.5","","","200","","","","","","","","","5","P -1","-P 1","2","","(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(phe?xy)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum acetone solvate","","- C69 H80 B3 O14 Ta3 -","- C99 H123 B3 O15 Ta3 -","- C198 H246 B6 O30 Ta6 -","2","1","","Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine","On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities","Inorganic Chemistry","2012","51","","10384","10393","10.1021/ic3015755","","x-ray","","","","","0.0303","","","0.0303","","","","","","","","","","","has coordinates","260385","2021-01-03","16:04:45",""
"4350790","24.189","0.004","11.77","0.002","24.316","0.004","90","","101.937","0.003","90","","6773","2","","","200","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-biphenyl-4-ylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum acetone solvate","","- C70.5 H83 B3 O11.5 Ta3 -","- C74.5 H83 B3 O13 Ta3 -","- C298 H332 B12 O52 Ta12 -","4","1","","Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine","On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities","Inorganic Chemistry","2012","51","","10384","10393","10.1021/ic3015755","","","","","","","0.0514","","","0.0514","","","","","","","","","","","has coordinates","260386","2021-01-03","16:05:01",""
"4350791","12.5477","0.0004","31.1331","0.001","19.3082","0.0006","90","","91","0.002","90","","7541.6","0.4","","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(2-phenylethynyl)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum acetone toluene solvate","","- C85.5 H92 B3 O11 Ta3 -","- C107 H114 B3 O11 Ta3 -","- C428 H456 B12 O44 Ta12 -","4","1","","Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine","On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities","Inorganic Chemistry","2012","51","","10384","10393","10.1021/ic3015755","","","","","","","0.0311","","","0.0311","","","","","","","","","","","has coordinates","260387","2021-01-03","16:05:16",""
"4502733","12.918","0.003","10.348","0.002","20.404","0.004","90","","108.09","0.03","90","","2592.7","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu N2 O7 -","- C13 H12 Cu N2 O7 -","- C104 H96 Cu8 N16 O56 -","8","1","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.0624","0.0398","","","0.0792","0.0858","","","","","","1.1","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502734","7.2818","0.0004","11.8131","0.0012","17.4336","0.0013","74.138","0.008","82.298","0.006","86.668","0.006","1429.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu2 N4 O17 -","- C20 H14 Cu2 N4 O17 -","- C40 H28 Cu4 N8 O34 -","2","1","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.1052","0.0494","","","0.1212","0.142","","","","","","1.03","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502735","5.3547","0.0003","22.517","0.002","9.1684","0.0011","90","","101.346","0.007","90","","1083.85","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cu2 N2 O12 -","- C18 H14 Cu2 N2 O12 -","- C36 H28 Cu4 N4 O24 -","2","0.5","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.0788","0.0427","","","0.0933","0.1014","","","","","","0.975","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502736","7.2175","0.001","17.536","0.002","7.963","0.001","90","","96.224","0.01","90","","1001.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H29 Cu2 N3 O14 -","- C10 H17 Cu2 N3 O14 -","- C20 H34 Cu4 N6 O28 -","2","0.5","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","","0.71073","MoKα","","0.0758","0.0515","","","0.1167","0.125","","","","","","1.077","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502737","7.308","0.003","32.068","0.007","10.378","0.002","90","","93.66","0.02","90","","2427.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Co2 N2 O18 -","- C16 H12 Co2 N2 O18 -","- C64 H48 Co8 N8 O72 -","4","1","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.1934","0.0744","","","0.122","0.1506","","","","","","1.009","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502738","15.149","0.003","6.62","0.001","15.936","0.003","90","","90.62","0.03","90","","1598.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Co N2 O7 -","- C15 H16 Co N2 O7 -","- C60 H64 Co4 N8 O28 -","4","1","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.0942","0.0448","","","0.0659","0.0753","","","","","","1.015","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502739","8.473","0.006","12.542","0.007","17.476","0.009","102.09","0.04","102.7","0.05","94.86","0.08","1754.8","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-7-(methyloxy)-5-[4-(trifluoromethyl)phenyl] [1,2,4]triazolo[4,3-a]quinolin-4-amine, monohydrate","","- C19 H17 F3 N4 O2 -","- C19 H17 F3 N4 O2 -","- C76 H68 F12 N16 O8 -","4","2","","Kang, Feirong; Vogt, Frederick G.; Brum, Jeffrey; Forcino, Rachel; Copley, Royston C. B.; Williams, Glenn; Carlton, Robert","Effect of Particle Size and Morphology on the Dehydration Mechanism of a Non-Stoichiometric Hydrate","Crystal Growth & Design","2012","12","1","60","","10.1021/cg200768x","","","0.71073","MoKα","","0.1046","0.0599","","","0.1431","0.1654","","","","","","1.014","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502740","19.469","0.006","18.077","0.005","13.265","0.004","90","","131.213","0.004","90","","3512","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H37 N3 Ni O9 -","- C38 H37 N3 Ni O9 -","- C152 H148 N12 Ni4 O36 -","4","0.5","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.0815","0.0538","","","0.1343","0.1617","","","","","","1.092","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502741","13.631","0.0012","17.3491","0.0016","20.2809","0.0018","90","","119.844","0.002","90","","4160.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 N4 O9 Zn -","- C42 H44 N4 O9 Zn -","- C168 H176 N16 O36 Zn4 -","4","1","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.1418","0.0612","","","0.1567","0.2195","","","","","","1.028","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502742","20.845","0.002","13.071","0.0015","12.4964","0.0012","90","","90","","90","","3404.8","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H33 N3 O7 Zn -","- C38 H33 N3 O7 Zn -","- C152 H132 N12 O28 Zn4 -","4","1","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.0877","0.0493","","","0.0974","0.1067","","","","","","1.068","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502743","25.102","0.002","13.6985","0.0012","20.929","0.002","90","","107.745","0.002","90","","6854.2","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C140 H122 Cd4 N8 O33 -","- C140 H122 Cd4 N8 O33 -","- C280 H244 Cd8 N16 O66 -","2","0.25","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.1841","0.0911","","","0.209","0.2384","","","","","","1.058","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502744","13.983","0.0012","29.496","0.003","34.577","0.003","90","","90","","90","","14261","2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C78 H76 N6 Ni2 O17 -","- C78 H76 N6 Ni2 O17 -","- C624 H608 N48 Ni16 O136 -","8","1","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.2803","0.1815","","","0.4329","0.4953","","","","","","1.365","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502745","23.2562","0.0006","23.2562","0.0006","62.035","0.002","90","","90","","120","","29056.6","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 N24 O37 Zn6 -","- C204 H181.99 N24 O37 Zn6 -","- C1224 H1091.94 N144 O222 Zn36 -","6","0.333333","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.1818","0.0685","","","0.1739","0.2321","","","","","","0.98","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502746","20.5","0.003","8.0727","0.001","20.27","0.003","90","","90.534","0.002","90","","3354.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H66 N12 O12 Zn3 -","- C78 H66 N12 O12 Zn3 -","- C156 H132 N24 O24 Zn6 -","2","0.5","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.0605","0.0525","","","0.1342","0.149","","","","","","1.08","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502747","8.6826","0.0006","8.9946","0.0007","17.6757","0.0013","89.33","0.001","83.036","0.001","68.522","0.001","1274.28","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O6 Zn -","- C26 H26 N4 O6 Zn -","- C52 H52 N8 O12 Zn2 -","2","1","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.0371","0.0321","","","0.0815","0.0855","","","","","","1.055","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502748","13.142","0.0011","9.5179","0.0008","14.8006","0.0012","90","","107.726","0.001","90","","1763.4","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl6 N4 O4 Zn -","- C36 H28 Cl6 N4 O4 Zn -","- C72 H56 Cl12 N8 O8 Zn2 -","2","0.5","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.0468","0.0403","","","0.1107","0.1157","","","","","","1.021","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502749","7.92","0.03","10.9","0.04","14.83","0.05","71.19","0.09","87.24","0.09","74.45","0.06","1166","7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N8 O8 Zn2 -","- C52 H44 N8 O8 Zn2 -","- C52 H44 N8 O8 Zn2 -","1","0.5","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.1115","0.0663","","","0.1909","0.2818","","","","","","0.983","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502750","24.7304","0.0001","24.7304","0.0001","35.59","0.0003","90","","90","","90","","21766.6","0.2","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C55 H55 N9 O11 Zn2 -","- C55 H55 N9 O11 Zn2 -","- C880 H880 N144 O176 Zn32 -","16","1","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","1.54178","CuKα","","0.1027","0.0702","","","0.207","0.2316","","","","","","1.06","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502751","22.128","0.013","28.524","0.016","29.033","0.018","90","","90","","90","","18325","19","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 N3 O7 Y -","- C24 H12 N3 O7 Y -","- C768 H384 N96 O224 Y32 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.1045","0.087","","","0.2005","0.2113","","","","","","1.033","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502752","22.252","0.004","28.629","0.005","29.191","0.005","90","","90","","90","","18596","6","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Eu N3 O7 -","- C24 H12 Eu N3 O7 -","- C768 H384 Eu32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0415","0.0411","","","0.1242","0.1245","","","","","","1.049","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502753","22.245","0.006","28.583","0.007","29.143","0.012","90","","90","","90","","18530","10","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Gd N3 O7 -","- C24 H12 Gd N3 O7 -","- C768 H384 Gd32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0497","0.0476","","","0.1325","0.1343","","","","","","1.031","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502754","28.614","0.0012","22.2004","0.0007","29.1229","0.0014","90","","90","","90","","18500.1","1.3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 N3 O7 Tb -","- C24 H12 N3 O7 Tb -","- C768 H384 N96 O224 Tb32 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0367","0.035","","","0.1051","0.1065","","","","","","1.024","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502755","22.262","0.009","28.637","0.011","29.118","0.011","90","","90","","90","","18563","13","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Dy N3 O7 -","- C24 H12 Dy N3 O7 -","- C768 H384 Dy32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0615","0.0569","","","0.1533","0.1568","","","","","","1.158","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502756","22.154","0.009","28.577","0.011","29.053","0.012","90","","90","","90","","18393","13","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Ho N3 O7 -","- C24 H12 Ho N3 O7 -","- C768 H384 Ho32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0806","0.0703","","","0.1471","0.1524","","","","","","1.169","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502757","22.1535","0.0011","28.595","0.003","29.043","0.003","90","","90","","90","","18398","3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Er N3 O7 -","- C24 H12 Er N3 O7 -","- C768 H384 Er32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0502","0.0494","","","0.1357","0.1361","","","","","","1.362","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502758","14.0676","0.0008","15.4153","0.0009","16.5488","0.001","75.932","0.003","67.906","0.002","82.713","0.003","3223","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHNK734PIC","","","- C72 H74 N6 O12 -","- C72 H74 N6 O12 -","- C144 H148 N12 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.71073","MoKα","","0.0542","0.036","","","0.0839","0.093","","","","","","1.017","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502759","47.057","0.01","10.814","0.002","19.964","0.004","90","","96.463","0.006","90","","10095","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","SRKRK36PY","","","- C55 H55 N3 O12 -","- C55 H55 N3 O12 -","- C440 H440 N24 O96 -","8","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","synchrotron","","0.1979","0.1053","","","0.2881","0.3389","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502760","13.1917","0.0011","15.0871","0.0012","15.4152","0.0013","76.659","0.001","69.14","0.001","86.7","0.001","2788.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHRK642Pic","","","- C62 H69 N3 O12 -","- C62 H69 N3 O12 -","- C124 H138 N6 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","MoKα","","0.0988","0.062","","","0.1624","0.1804","","","","","","0.98","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502761","13.2896","0.0013","15.9321","0.0017","17.1668","0.0018","101.81","0.004","108.571","0.004","109.794","0.004","3036.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINSRKRK783PIC","","","- C68 H76 N4 O12 -","- C68 H76 N4 O12 -","- C136 H152 N8 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","synchrotron","","0.1069","0.0828","","","0.2167","0.2319","","","","","","1.07","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502762","12.0802","0.0017","15.437","0.002","21.491","0.003","81.538","0.006","89.043","0.007","80.534","0.007","3910","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINSRKRK784PIC","","","- C86 H97 N7 O12 -","- C86 H97 N7 O12 -","- C172 H194 N14 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.71073","MoKα","","0.061","0.0403","","","0.0946","0.1053","","","","","","1.032","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502763","12.9688","0.001","14.3799","0.0009","17.4055","0.001","77.53","0.003","85.616","0.003","70.008","0.003","2978.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHNK592PICBLOCK","","","- C66 H77 N3 O12 -","- C66 H77 N3 O12 -","- C132 H154 N6 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","synchrotron","","0.0729","0.0514","","","0.1319","0.1455","","","","","","1.026","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502764","13.3635","0.0009","16.9916","0.0012","17.2762","0.0012","102.818","0.004","109.97","0.003","107.634","0.004","3273.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINSRKRK153PIC","","","- C72 H84 N4 O12 -","- C72 H84 N4 O12 -","- C144 H168 N8 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","synchrotron","","0.0993","0.0745","","","0.1887","0.2076","","","","","","1.043","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502765","12.673","0.0011","12.7071","0.0012","23.05","0.002","94.607","0.005","90.904","0.005","106.987","0.004","3535.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK154PIC","","","- C78 H91 N5 O12 -","- C78 H91 N5 O12 -","- C156 H182 N10 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.71073","MoKα","","0.1553","0.1294","","","0.3534","0.3689","","","","","","1.032","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502766","13.0233","0.0012","14.8013","0.0014","18.4301","0.0018","69.357","0.002","80.651","0.002","70.56","0.002","3130.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHRK962EtPy","","","- C69 H83 N3 O12 -","- C69 H83 N3 O12 -","- C138 H166 N6 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","MoKα","","0.0849","0.0638","","","0.173","0.1912","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502767","11.1177","0.0016","22.716","0.003","24.758","0.004","86.694","0.002","86.086","0.002","81.891","0.002","6168.4","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK79Py","","","- C144 H129 N9 O30 -","- C144 H129 N9 O30 -","- C288 H258 N18 O60 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.0955","0.0577","","","0.1417","0.1657","","","","","","1.004","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502768","11.937","0.003","14.598","0.004","15.987","0.005","74.45","0.004","74.169","0.004","81.683","0.004","2574.4","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK792Pic","","","- C57 H56 N4 O10 -","- C57 H56 N4 O10 -","- C114 H112 N8 O20 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.1423","0.1019","","","0.2832","0.3194","","","","","","1.216","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502769","10.5621","0.0003","28.0473","0.0008","14.6049","0.0004","90","","93.396","0.002","90","","4318.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","FINISHSRKRK794Pic","","","- C51 H49 N3 O10 -","- C51 H49 N3 O10 -","- C204 H196 N12 O40 -","4","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.0793","0.0553","","","0.1294","0.1451","","","","","","1.004","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502770","11.2472","0.0007","29.1857","0.0017","14.4448","0.0009","90","","95.764","0.003","90","","4717.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","FINISRKRK794ETPY","","","- C54 H57 N3 O11 -","- C54 H55 N3 O10.5 -","- C216 H220 N12 O42 -","4","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.71073","MoKα","","0.1224","0.0868","","","0.2548","0.2925","","","","","","0.996","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502771","16.591","0.0017","16.9911","0.0017","20.657","0.002","87.571","0.002","69.483","0.002","65.087","0.002","4908.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK752Pic","","","- C112 H115 N7 O21 -","- C112 H113 N7 O21 -","- C224 H226 N14 O42 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.0943","0.0655","","","0.1667","0.1887","","","","","","1.045","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502772","10.0957","0.0006","22.2197","0.0013","24.6893","0.0015","79.318","0.002","83.082","0.002","78.796","0.002","5318.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK754PIC","","","- C124 H127 N9 O20 -","- C124 H127 N9 O20 -","- C248 H254 N18 O40 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.71073","MoKα","","0.0925","0.0576","","","0.1469","0.1735","","","","","","1.01","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502773","16.2735","0.0019","19.252","0.002","19.904","0.002","65.185","0.002","76.938","0.002","68.755","0.002","5255.3","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK752EtPy","","","- C119 H127 N7 O20 -","- C119 H127 N7 O20 -","- C238 H254 N14 O40 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.1332","0.0752","","","0.1921","0.2314","","","","","","1.03","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502774","12.2231","0.0014","15.3839","0.0018","16.3647","0.0019","65.841","0.002","85.056","0.002","88.842","0.002","2796.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK702Pic","","","- C63 H68 N4 O10 -","- C63 H68 N4 O10 -","- C126 H136 N8 O20 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.1145","0.0858","","","0.2314","0.2587","","","","","","1.027","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502775","6.277","0.002","17.702","0.007","20.486","0.008","90","","97.565","0.005","90","","2256.5","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O7 Zn -","- C22 H26 N2 O7 Zn -","- C88 H104 N8 O28 Zn4 -","4","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0896","0.0712","","","0.1794","0.1918","","","","","","1.095","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502776","14.2155","0.0012","11.8409","0.001","12.0213","0.001","90","","94.998","0.001","90","","2015.8","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C44 H38 N4 O9 Zn2 -","- C44 H38 N4 O9 Zn2 -","- C88 H76 N8 O18 Zn4 -","2","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0371","0.0304","","","0.075","0.0787","","","","","","1.072","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502777","8.6406","0.0007","17.6956","0.0015","13.3812","0.0011","90","","106.361","0.001","90","","1963.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Co N2 O5 -","- C22 H22 Co N2 O5 -","- C88 H88 Co4 N8 O20 -","4","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0331","0.0259","","","0.0635","0.0679","","","","","","1.036","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502778","25.142","0.011","10.672","0.005","16.359","0.007","90","","121.642","0.005","90","","3737","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Co N2 O4 -","- C22 H18 Co N2 O4 -","- C176 H144 Co8 N16 O32 -","8","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0733","0.0504","","","0.1184","0.1335","","","","","","1.053","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502779","13.3501","0.0019","18.33","0.003","8.5877","0.0012","90","","104.481","0.002","90","","2034.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Mn0.5 N O2.5 -","- C11 H11 Mn0.5 N O2.5 -","- C88 H88 Mn4 N8 O20 -","8","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0599","0.038","","","0.0777","0.0862","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502780","7.6663","0.001","8.237","0.001","13.7367","0.0017","79.712","0.001","76.309","0.001","63.431","0.001","751.14","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Mn N O5 -","- C16 H15 Mn N O5 -","- C32 H30 Mn2 N2 O10 -","2","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0249","0.0233","","","0.0634","0.0649","","","","","","1.047","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502781","9.9115","0.0009","13.3645","0.0011","24.952","0.003","90","","93.168","0.009","90","","3300.1","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1I","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C132 H132 I12 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.149","0.0446","","","0.0936","0.1122","","","","","","0.787","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502782","9.9841","0.0017","13.211","0.003","15.709","0.002","110.275","0.014","95.634","0.012","91.971","0.014","1929","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, mesitylene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, mesitylene","","- C42 H45 I3 O3 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.154","0.1022","","","0.2983","0.3465","","","","","","1.043","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502783","9.8038","0.0004","13.4613","0.0008","15.6252","0.0008","111.364","0.005","97.151","0.004","90.132","0.004","1902.92","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, p-xylene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, p-xylene","","- C41 H43 I3 O3 -","- C41 H43 I3 O3 -","- C82 H86 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.0981","0.0412","","","0.0561","0.0622","","","","","","0.784","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502784","10.0669","0.0009","13.5062","0.0013","15.7971","0.0014","67.16","0.009","83.771","0.007","89.449","0.008","1966.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, m-xylene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, m-xylene","","- C41 H43 I3 O3 -","- C41 H43 I3 O3 -","- C82 H86 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.161","0.0642","","","0.1333","0.1819","","","","","","1.006","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502785","10.0282","0.0009","13.4705","0.0014","16.0032","0.0017","67.312","0.01","83.012","0.008","88.381","0.008","1979.3","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, o-xylene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, o-xylene","","- C41 H43 I3 O3 -","- C41 H43 I3 O3 -","- C82 H86 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1004","0.0661","","","0.1816","0.2123","","","","","","1.033","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502786","10.098","0.003","13.403","0.004","15.596","0.005","67.61","0.03","83.62","0.03","89.43","0.02","1938.4","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, toluene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, toluene","","- C40 H41 I3 O3 -","- C40 H41 I3 O3 -","- C80 H82 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1343","0.0752","","","0.2027","0.2334","","","","","","0.904","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502787","9.8957","0.0007","13.5157","0.0012","14.7007","0.0012","89.969","0.007","73.364","0.007","88.729","0.006","1883.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, benzene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, benzene","","- C39 H39 I3 O3 -","- C39 H39 I3 O3 -","- C78 H78 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1319","0.0397","","","0.0835","0.0935","","","","","","0.771","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502788","13.3699","0.0007","9.8382","0.0006","28.8159","0.0018","90","","90.815","0.006","90","","3789.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1I, picoline","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, picoline","","- C39 H39 I3 O3 -","- C39 H40 I3 N O3 -","- C156 H160 I12 N4 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.0855","0.0471","","","0.0996","0.1156","","","","","","1.02","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502789","9.9646","0.0006","13.3987","0.0007","14.6107","0.0008","90.411","0.005","107.322","0.005","90.923","0.005","1861.85","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, pyridine","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, pyridine","","- C38 H38 I3 N O3 -","- C38 H38 I3 N O3 -","- C76 H76 I6 N2 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1059","0.0662","","","0.1477","0.1737","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502790","10.1786","0.0007","13.2728","0.0008","15.3343","0.001","112.047","0.006","99.559","0.006","90.891","0.005","1886.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, THF","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, tetrahydrofuran","","- C37 H41 I3 O4 -","- C37 H41 I3 O4 -","- C74 H82 I6 O8 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1085","0.0584","","","0.1655","0.1832","","","","","","1.043","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502791","10.181","0.0005","13.2626","0.0007","15.3407","0.0008","111.935","0.005","99.768","0.005","91.304","0.004","1885.17","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, chloroform","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, chloroform","","- C34 H34 Cl3 I3 O3 -","- C34 H34 Cl3 I3 O3 -","- C68 H68 Cl6 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.136","0.0588","","","0.1501","0.1728","","","","","","0.868","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502792","10.2695","0.0005","13.3775","0.0005","15.4731","0.0006","112.583","0.004","98.92","0.004","91.051","0.004","1931.89","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, TCM","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, tetrachloromethane","","- C34 H33 Cl4 I3 O3 -","- C34 H33 Cl4 I3 O3 -","- C68 H66 Cl8 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.0797","0.0427","","","0.1014","0.1095","","","","","","0.957","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502793","10.2538","0.0016","13.144","0.003","15.119","0.004","108.44","0.02","99.035","0.017","91.334","0.015","1903.3","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, DBE","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, 1,2-dibromoethane","","- C35 H37 Br2 I3 O3 -","- C35 H37 Br2 I3 O3 -","- C70 H74 Br4 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.2441","0.0817","","","0.194","0.2511","","","","","","0.828","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502794","10.2164","0.0012","13.0464","0.0013","15.0017","0.0014","108.594","0.009","99.23","0.009","91.576","0.009","1864","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, DCE","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, 1,2-dichloroethane","","- C35 H37 Cl2 I3 O3 -","- C35 H37 Cl2 I3 O3 -","- C70 H74 Cl4 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1266","0.0652","","","0.1732","0.1929","","","","","","0.969","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502795","9.9745","0.0008","13.3547","0.0008","15.7276","0.0013","113.199","0.007","97.615","0.007","90.585","0.006","1904.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, dioxane","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes","","- C37 H41 I3 O5 -","- C37 H41 I3 O5 -","- C74 H82 I6 O10 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1353","0.0725","","","0.1853","0.2311","","","","","","1.031","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502796","9.8411","0.0003","13.226","0.0005","15.5234","0.0006","111.333","0.004","94.651","0.003","91.72","0.003","1872","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, EtOAc","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, ethyl acetate","","- C37 H41 I3 O5 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1217","0.0448","","","0.0769","0.0841","","","","","","0.726","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502797","19.174","0.0006","13.3687","0.0004","25.1912","0.0009","90","","109.733","0.004","90","","6078.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1Br","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C264 H264 Br24 O24 -","8","2","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1381","0.0485","","","0.0788","0.0902","","","","","","0.823","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502798","9.801","0.003","13.233","0.005","14.875","0.005","110.46","0.03","93.13","0.03","91.25","0.03","1803.1","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, mesitylene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, mesitylene","","- C42 H45 Br3 O3 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1475","0.0817","","","0.2222","0.2463","","","","","","0.9","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502799","9.808","0.002","13.395","0.003","15.31","0.004","70.52","0.02","83.247","0.019","89.667","0.018","1881.9","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, p-xylene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, p-xylene","","- C41 H43 Br3 O3 -","- C41 H43 Br3 O3 -","- C82 H86 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1529","0.044","","","0.0839","0.0955","","","","","","0.734","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502800","9.8161","0.0012","13.3655","0.0016","15.1616","0.0014","111.925","0.01","94.508","0.009","90.031","0.01","1838.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, m-xylene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, m-xylene","","- C41 H43 Br3 O3 -","- C41 H43 Br3 O3 -","- C82 H86 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.2461","0.0874","","","0.2286","0.3215","","","","","","0.93","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502801","9.7102","0.0008","13.2482","0.0014","15.465","0.002","94.363","0.01","104.129","0.009","90.268","0.008","1923.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, o-xylene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, o-xylene","","- C41 H43 Br3 O3 -","- C41 H43 Br3 O3 -","- C82 H86 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.357","0.1058","","","0.2318","0.3506","","","","","","0.959","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502802","9.9162","0.0006","13.3896","0.0007","15.2018","0.0008","67.444","0.005","83.931","0.005","88.884","0.005","1853.07","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, toluene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, toluene","","- C40 H41 Br3 O3 -","- C40 H41 Br3 O3 -","- C80 H82 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1731","0.0553","","","0.14","0.1597","","","","","","0.82","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502803","9.5681","0.0006","13.1798","0.0007","14.513","0.0012","90.091","0.006","106.705","0.007","90.654","0.005","1752.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, benzene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, benzene","","- C39 H39 Br3 O3 -","- C39 H39 Br3 O3 -","- C78 H78 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1193","0.0442","","","0.0641","0.0716","","","","","","0.729","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502804","9.832","0.003","13.41","0.003","15.586","0.004","66.27","0.02","82.19","0.02","89.57","0.02","1861.3","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1Br, TCM","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, tetrachloromethane","","- C34 H33 Br3 Cl4 O3 -","- C34 H33 Br3 Cl4 O3 -","- C68 H66 Br6 Cl8 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1539","0.0484","","","0.1119","0.1297","","","","","","0.839","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502805","9.5604","0.0006","13.2749","0.001","15.5833","0.0016","115.387","0.009","97.629","0.007","90.249","0.005","1766.8","0.3","149.9","","149.9","","","","","","","","","4","P -1","-P 1","2","1Br, dioxane","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, dioxane","","- C37 H41 Br3 O5 -","- C37 H41 Br3 O5 -","- C74 H82 Br6 O10 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1988","0.0917","","","0.1862","0.2417","","","","","","0.98","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502806","9.834","0.002","13.26","0.003","15.464","0.004","114.36","0.02","99.248","0.019","90.523","0.018","1806.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1Br, chloroform","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, chloroform","","- C34 H34 Br3 Cl3 O3 -","- C34 H34 Br3 Cl3 O3 -","- C68 H68 Br6 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.2429","0.0638","","","0.1409","0.1651","","","","","","0.703","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502807","9.8007","0.0011","13.2597","0.0014","15.399","0.003","65.73","0.013","80.947","0.011","89.95","0.009","1797","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, THF","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, tetrahydrofuran","","- C37 H41 Br3 O4 -","- C37 H41 Br3 O4 -","- C74 H82 Br6 O8 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.214","0.0581","","","0.1324","0.1579","","","","","","0.767","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502808","9.72","0.0004","13.146","0.0005","15.3461","0.0006","115.255","0.004","100.304","0.003","91.211","0.003","1734.39","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","1Br, pyridine","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, pyridine","","- C38 H38 Br3 N O3 -","- C38 H38 Br3 N O3 -","- C76 H76 Br6 N2 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1024","0.057","","","0.1169","0.1413","","","","","","1.027","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502809","13.1646","0.0008","9.5578","0.0006","28.023","0.002","90","","91.074","0.006","90","","3525.4","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1Br, picoline","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, picoline","","- C39 H40 Br3 N O3 -","- C39 H40 Br3 N O3 -","- C156 H160 Br12 N4 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1701","0.1298","","","0.289","0.3095","","","","","","1.147","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502810","9.8164","0.0017","13.401","0.0016","14.992","0.003","110.825","0.014","92.594","0.015","90.18","0.012","1841.1","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, EtOAc","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Br3 O5 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1451","0.0539","","","0.1359","0.1439","","","","","","0.818","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502811","28.8875","0.0011","13.467","0.0004","24.9657","0.0011","90","","110.691","0.005","90","","9085.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1Cl","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C396 H396 Cl36 O36 -","12","3","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.2748","0.1226","","","0.3407","0.4118","","","","","","1.029","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502812","10.4401","0.001","15.619","0.0013","16.1505","0.0015","64.153","0.009","71.764","0.009","77.321","0.008","2240.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl. p-xylene","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, p-xylene","","- C49 H53 Cl3 O3 -","- C49 H53 Cl3 O3 -","- C98 H106 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.3468","0.0619","","","0.0825","0.1257","","","","","","0.737","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502813","10.4818","0.0003","14.9433","0.0006","28.9839","0.001","82.604","0.003","81.764","0.003","78.806","0.003","4383.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl. m-xylene","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, m-xylene","","- C49 H53 Cl3 O3 -","- C49 H53 Cl3 O3 -","- C196 H212 Cl12 O12 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.277","0.1051","","","0.2377","0.3339","","","","","","0.985","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502814","10.8048","0.0007","14.5554","0.0009","16.1308","0.0011","103.806","0.006","108.989","0.006","99.514","0.006","2246.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl.o-xylene","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, o-xylene","","- C49 H53 Cl3 O3 -","- C41 H43 Cl3 O3 -","- C82 H86 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1371","0.0896","","","0.2598","0.3008","","","","","","1.026","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502815","10.472","0.006","14.437","0.005","15.721","0.006","106.41","0.03","108.55","0.04","99.14","0.04","2079.1","1.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl, toluene","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, tolene","","- C40 H40 Cl3 O3 -","- C40 H40 Cl3 O3 -","- C80 H80 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1552","0.1037","","","0.2934","0.3471","","","","","","1.028","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502816","10.1834","0.0003","13.561","0.0004","23.4243","0.0007","90","","91.118","0.003","90","","3234.21","0.17","199.2","","199.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1Cl, dioxane","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, dioxane","","- C35 H37 Cl3 O4 -","- C35 H37 Cl3 O4 -","- C140 H148 Cl12 O16 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.0755","0.0528","","","0.1133","0.1276","","","","","","1.059","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502817","9.7072","0.0008","13.4028","0.0009","14.6608","0.0014","110.951","0.007","91.936","0.007","90.081","0.006","1780.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl, EtOAc","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Cl3 O5 -","- C33 H33 Cl3 O3 -","- C66 H66 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1116","0.0769","","","0.2389","0.2578","","","","","","1.08","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502818","10.757","0.005","18.021","0.007","14.908","0.005","90","","104.84","0.04","90","","2794","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1F","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzene","","- C33 H33 F3 O3 -","- C33 H33 F3 O3 -","- C132 H132 F12 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.4421","0.0885","","","0.0683","0.1154","","","","","","0.774","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502819","10.6112","0.0006","14.1378","0.0013","15.7189","0.0012","69.361","0.008","71.285","0.006","78.462","0.006","2080","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1F, toluene","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzenes, toluene","","- C47 H46 F3 O3 -","- C43.5 H44.5 F3 O3 -","- C87 H89 F6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1994","0.0925","","","0.2783","0.311","","","","","","0.88","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502820","10.4099","0.0004","14.6555","0.0005","16.064","0.0006","65.02","0.004","72.014","0.004","77.879","0.003","2103.92","0.15","200","2","200","2","","","","","","","","4","P -1","-P 1","2","1F, p-xylene","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzene, p-xylene","","- C49 H53 F3 O3 -","- C49 H53 F3 O3 -","- C98 H106 F6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1118","0.0457","","","0.1018","0.1155","","","","","","0.864","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502821","10.4319","0.0002","14.501","0.0004","28.879","0.0008","81.27","0.002","80.474","0.002","77.067","0.002","4169.05","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","1F, m-xylene","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzene, m-xylene","","- C49 H53 F3 O3 -","- C49 H53 F3 O3 -","- C196 H212 F12 O12 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1683","0.0946","","","0.1541","0.1849","","","","","","1.031","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502822","10.6739","0.0016","14.39","0.002","15.89","0.002","69.666","0.014","71.915","0.013","77.992","0.013","2161.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1F, p-xylene","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzene, p-xylene","","- C49 H53 F3 O3 -","- C41 H43 F3 O3 -","- C82 H86 F6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1667","0.0988","","","0.2846","0.3474","","","","","","0.992","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502823","10.3507","0.0007","19.1256","0.0012","15.2676","0.0012","90","","96.584","0.007","90","","3002.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1Me","1,3,5-triethyl-2,4,6-tris(4-methylphenoxy)methylbenzenes","","- C36 H42 O3 -","- C36 H42 O3 -","- C144 H168 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.2135","0.074","","","0.1339","0.191","","","","","","0.995","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502824","21.836","0.003","5.6444","0.0007","22.146","0.003","90","","109.339","0.002","90","","2575.5","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","2","","Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals","Crystal Growth & Design","2012","12","1","179","","10.1021/cg200920d","","","0.71073","MoKα","","0.1178","0.05","","","0.1245","0.1659","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502825","9.963","0.004","10.692","0.004","10.733","0.007","115.046","0.009","111.896","0.01","99.061","0.007","890.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Cl3 O2 -","- C18 H15 Cl3 O2 -","- C36 H30 Cl6 O4 -","2","1","","Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals","Crystal Growth & Design","2012","12","1","179","","10.1021/cg200920d","","","0.71073","MoKα","","0.0848","0.0588","","","0.1605","0.1813","","","","","","1.052","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502826","9.4765","0.0019","9.5705","0.0019","18.723","0.004","90","","102.69","0.03","90","","1656.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 O4 -","- C19 H13 F3 O4 -","- C76 H52 F12 O16 -","4","1","","Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals","Crystal Growth & Design","2012","12","1","179","","10.1021/cg200920d","","","0.71073","MoKα","","0.0786","0.0616","","","0.1946","0.2101","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502827","5.6114","0.0011","10.648","0.002","26.171","0.005","90","","90.14","0.03","90","","1563.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals","Crystal Growth & Design","2012","12","1","179","","10.1021/cg200920d","","","0.71073","MoKα","","0.1153","0.0559","","","0.1123","0.1324","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502828","13.022","0.003","19.354","0.004","7.3607","0.0015","90","","123.63","0.03","90","","1544.6","0.8","293.1","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N4 O4 Zn -","- C16 H12 N4 O4 Zn -","- C64 H48 N16 O16 Zn4 -","4","0.5","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.075","0.0524","","","0.09","0.0961","","","","","","1.091","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502829","8.1487","0.0016","14.991","0.003","11.733","0.002","90","","109.48","0.03","90","","1351.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N3 O4 Zn -","- C14 H10 N3 O4 Zn -","- C56 H40 N12 O16 Zn4 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.14","0.0819","","","0.1487","0.172","","","","","","1.108","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502830","8.0153","0.0016","8.0153","0.0016","33.532","0.007","90","","90","","90","","2154.3","0.8","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C24 H18 N4 O5 Zn -","- C24 H18 N4 O5 Zn -","- C96 H72 N16 O20 Zn4 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.1556","0.0893","","","0.1232","0.1436","","","","","","1.061","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502831","10.302","0.002","11.876","0.002","32.266","0.007","90","","90","","90","","3947.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N6 O10 Zn2 -","- C42 H36 N6 O10 Zn2 -","- C168 H144 N24 O40 Zn8 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.0312","0.0292","","","0.0668","0.068","","","","","","1.031","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502832","10.556","0.002","11.849","0.002","17.512","0.006","90","","117.96","0.02","90","","1934.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.083","0.0553","","","0.0982","0.1067","","","","","","1.152","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502833","15.109","0.003","20.8","0.004","12.03","0.002","90","","118.22","0.03","90","","3331.3","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N8 O14 Zn3 -","- C30 H24 N8 O14 Zn3 -","- C120 H96 N32 O56 Zn12 -","4","0.5","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.0713","0.0487","","","0.0878","0.0944","","","","","","1.104","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502834","19.0572","0.0004","10.2321","0.0002","15.3048","0.0003","90","","101.993","0.001","90","","2919.22","0.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Cr I3 N9 -","- C24 H21 Cr I3 N9 -","- C96 H84 Cr4 I12 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0258","0.023","","","0.0456","0.0466","","","","","","1.087","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502835","20.4121","0.0015","14.2849","0.001","12.4715","0.0009","90","","106.623","0.004","90","","3484.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Fe I3 N11 -","- C28 H27 Fe I3 N11 -","- C112 H108 Fe4 I12 N44 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0856","0.0618","","","0.1534","0.173","","","","","","1.182","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502836","18.929","0.004","10.141","0.002","15.118","0.003","90","","100.068","0.012","90","","2857.3","1","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Co I3 N9 -","- C24 H21 Co I3 N9 -","- C96 H84 Co4 I12 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0953","0.0654","","","0.1508","0.166","","","","","","1.063","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502837","20.2858","0.0009","14.2364","0.0006","12.4838","0.0005","90","","106.402","0.002","90","","3458.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Co I3 N11 -","- C28 H27 Co I3 N11 -","- C112 H108 Co4 I12 N44 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0608","0.0378","","","0.0954","0.1333","","","","","","1.127","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502838","18.886","0.0007","10.1126","0.0004","15.0093","0.0005","90","","104.032","0.002","90","","2781.04","0.18","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Cr N9 -","- C24 H21 Br3 Cr N9 -","- C96 H84 Br12 Cr4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.019","0.018","","","0.0448","0.0452","","","","","","1.048","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502839","18.7217","0.0005","9.9933","0.0003","14.8638","0.0004","90","","102.81","0.002","90","","2711.68","0.13","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Fe N9 -","- C24 H21 Br3 Fe N9 -","- C96 H84 Br12 Fe4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0425","0.0363","","","0.0818","0.0836","","","","","","1.426","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502840","18.679","0.0005","9.9819","0.0002","14.825","0.0004","90","","102.239","0.001","90","","2701.33","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Co N9 -","- C24 H21 Br3 Co N9 -","- C96 H84 Br12 Co4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0215","0.0187","","","0.0378","0.0386","","","","","","1.103","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502841","19.8999","0.0008","15.4142","0.0006","12.442","0.0004","90","","113.878","0.002","90","","3489.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cr I6 N9 -","- C24 H18 Cr I6 N9 -","- C96 H72 Cr4 I24 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0243","0.0211","","","0.0586","0.0733","","","","","","2.158","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502842","19.898","0.0006","15.4085","0.0005","12.4411","0.0003","90","","113.893","0.002","90","","3487.54","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Fe I6 N9 -","- C24 H18 Fe I6 N9 -","- C96 H72 Fe4 I24 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0708","0.0412","","","0.092","0.114","","","","","","1.31","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502843","19.8874","0.0007","15.3305","0.0006","12.2069","0.0004","90","","114.187","0.002","90","","3395","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Co I6 N9 -","- C24 H18 Co I6 N9 -","- C96 H72 Co4 I24 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0603","0.0367","","","0.0722","0.0972","","","","","","1.464","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502844","8.738","0.002","11.072","0.002","18.798","0.004","79.54","0.03","84.86","0.03","84.84","0.03","1776.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Br6 Cr N9 O4 -","- C24 H24 Br6 Cr N9 O4 -","- C48 H48 Br12 Cr2 N18 O8 -","2","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.1001","0.0585","","","0.1403","0.1577","","","","","","1.044","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502845","18.824","0.005","14.901","0.004","11.831","0.003","90","","111.52","0.003","90","","3087.2","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br6 Fe N9 -","- C24 H18 Br6 Fe N9 -","- C96 H72 Br24 Fe4 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.6998","synchrotron","","0.038","0.029","","","0.0579","0.0635","","","","","","1.183","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502846","18.901","0.004","14.878","0.003","11.767","0.002","90","","111.617","0.002","90","","3076.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br6 Co N9 -","- C24 H18 Br6 Co N9 -","- C96 H72 Br24 Co4 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.6998","synchrotron","","0.0527","0.0513","","","0.1633","0.1686","","","","","","1.508","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502847","15.0249","0.0012","6.1107","0.0005","28.663","0.002","90","","97.386","0.004","90","","2609.8","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1 Cholesterol:Propanol solvate","","","- C57 H100 O3 -","- C57 H100 O3 -","- C114 H200 O6 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0643","0.0428","","","0.0925","0.1039","","","","","","0.998","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502848","15.0634","0.0009","6.0931","0.0004","29.1765","0.0018","90","","96.583","0.003","90","","2660.2","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1 Cholesterol:Butanol solvate","","","- C58 H102 O3 -","- C58 H102 O3 -","- C116 H204 O6 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0894","0.0642","","","0.1611","0.1829","","","","","","1.044","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502849","42.9792","0.0015","10.3021","0.0004","6.2807","0.0002","90","","96.225","0.002","90","","2764.55","0.17","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","2:1 Cholesterol:pentanol","","","- C64 H104 O3 -","- C60.5 H92 O3 -","- C121 H184 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0798","0.0676","","","0.1959","0.2146","","","","","","1.061","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502850","42.982","0.002","10.3695","0.0007","6.2684","0.0004","90","","96.166","0.003","90","","2777.7","0.3","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","2:1 Cholesterol:hexanol solvate","","","- C60 H106 O3 -","- C60 H106 O3 -","- C120 H212 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0936","0.0774","","","0.2203","0.2357","","","","","","1.092","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502851","11.5935","0.0009","6.1697","0.0005","21.1002","0.0016","90","","105.446","0.004","90","","1454.8","0.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","1:1 Cholesterol:Phenol solvate","","","- C33 H52 O2 -","- C33 H52 O2 -","- C66 H104 O4 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0534","0.0466","","","0.1225","0.129","","","","","","1.027","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502852","15.699","0.002","7.5133","0.0009","23.492","0.003","90","","94.643","0.009","90","","2761.8","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1:1 Cholesterol: Benzyl alcohol hydrate","","","- C61 H102 O4 -","- C61 H102 O4 -","- C122 H204 O8 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0621","0.0391","","","0.08","0.0886","","","","","","1.016","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502853","42.676","0.004","10.2044","0.0011","6.3396","0.0006","90","","97.501","0.006","90","","2737.2","0.5","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","1:1 Cholesterol:phenylethanol solvate","","","- C62 H102 O3 -","- C62 H102 O3 -","- C124 H204 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0549","0.0475","","","0.1239","0.1335","","","","","","1.045","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502854","10.543","0.004","16.296","0.005","17.04","0.006","112.18","0.016","90.699","0.015","106.481","0.019","2576","1.6","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.88 H35.88 Br4 N0.77 O8 -","- C57.9 H35.9 Br4 N0.78 O8 -","- C115.8 H71.8 Br8 N1.56 O16 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1646","0.1273","","","0.3379","0.3668","","","","","","1.127","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502855","10.223","0.0011","16.4842","0.0017","19.0391","0.0019","65.799","0.005","85.211","0.005","73.177","0.005","2798.9","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.719 H43.011 I4 N1.573 O9.573 -","- C58.719 H43.011 I4 N1.573 O9.573 -","- C117.438 H86.022 I8 N3.146 O19.146 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.123","0.0589","","","0.1335","0.1612","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502856","10.6242","0.0012","16.3746","0.0017","16.9432","0.0018","111.993","0.005","91.015","0.005","106.38","0.005","2596.8","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.53 H36.53 I4 N0.91 O8 -","- C58.55 H36.55 I4 N0.91 O8 -","- C117.1 H73.1 I8 N1.82 O16 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.0786","0.0523","","","0.1189","0.1329","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502857","10.3097","0.0011","37.511","0.004","16.749","0.0018","90","","107.176","0.005","90","","6188.4","1.2","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68.74 H46.74 I4 N2.974 O8 -","- C68.87 H46.87 I4 N2.974 O8 -","- C275.48 H187.48 I16 N11.896 O32 -","4","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1089","0.0499","","","0.1047","0.1249","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502858","11.3913","0.0012","14.9677","0.0016","29.896","0.003","90","","93.341","0.005","90","","5088.7","0.9","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H39 Br4 N O9 -","- C57 H39 Br4 N O9 -","- C228 H156 Br16 N4 O36 -","4","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.106","0.0519","","","0.1124","0.1336","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502859","11.9174","0.0013","15.3574","0.0016","16.0001","0.0017","65.224","0.005","70.717","0.005","77.858","0.005","2500.8","0.5","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H37 Br4 N O8 -","- C59 H37 Br4 N O8 -","- C118 H74 Br8 N2 O16 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1053","0.0478","","","0.0886","0.1059","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502860","22.073","0.003","8.6817","0.001","23.886","0.003","90","","94.603","0.005","90","","4562.5","1","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 Br4 O8 -","- C54 H32 Br4 O8 -","- C216 H128 Br16 O32 -","4","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1285","0.0597","","","0.1178","0.1421","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502861","10.2588","0.0011","15.3024","0.0016","30.704","0.004","96.614","0.005","90.414","0.005","95.087","0.005","4768.4","0.9","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H32 I4 O8 -","- C54 H32 I4 O8 -","- C216 H128 I16 O32 -","4","2","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1556","0.0563","","","0.0938","0.1211","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502862","10.2173","0.0011","16.4911","0.0017","19.045","0.002","65.831","0.005","85.161","0.005","73.224","0.005","2801","0.5","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.48 H40.12 Br4 N1.16 O9.16 -","- C57.492 H40.148 Br4 N1.164 O9.164 -","- C114.984 H80.296 Br8 N2.328 O18.328 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1038","0.0748","","","0.2116","0.24","","","","","","1.066","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502863","6.6989","0.0004","27.3867","0.0019","15.2901","0.0011","90","","90.319","0.003","90","","2805.1","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fluconazole","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C104 H96 F16 N48 O8 -","8","2","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.0568","0.0346","","","0.0728","0.0822","","","","","","1.024","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502864","12.9282","0.0009","6.0241","0.0005","34.834","0.003","90","","90","","90","","2712.9","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C104 H96 F16 N48 O8 -","8","1","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.093","0.0696","","","0.1564","0.1664","","","","","","1.158","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502865","27.4726","0.0009","10.9196","0.0004","22.3424","0.0012","90","","125.337","0.002","90","","5467.7","0.4","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fluconazole","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C208 H192 F32 N96 O16 -","16","2","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.0841","0.0649","","","0.1854","0.2002","","","","","","1.065","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502866","10.9186","0.0009","22.3367","0.0018","22.3619","0.0017","90","","90","","90","","5453.7","0.8","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Fluconazole","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C208 H192 F32 N96 O16 -","16","2","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.1143","0.0861","","","0.2236","0.265","","","","","","1.066","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502867","7.5384","0.0004","12.7514","0.0006","13.4479","0.0005","92.749","0.004","104.919","0.004","102.13","0.004","1214.07","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F8 I4 N2 -","- C18 H12 F8 I4 N2 -","- C36 H24 F16 I8 N4 -","2","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0421","0.0289","","","0.0515","0.0548","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502868","15.7938","0.0005","9.6819","0.0002","18.2902","0.0005","90","","107.577","0.003","90","","2666.25","0.13","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F6 I6 N2 -","- C18 H12 F6 I6 N2 -","- C72 H48 F24 I24 N8 -","4","0.5","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0337","0.0228","","","0.0334","0.0343","","","","","","1.013","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502869","12.3666","0.0004","12.5432","0.0004","14.0845","0.0004","83.083","0.002","72.525","0.003","60.817","0.003","1818.51","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl2 F4 I2 N2 -","- C13 H14 Cl2 F4 I2 N2 -","- C52 H56 Cl8 F16 I8 N8 -","4","2","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0389","0.0249","","","0.0402","0.0415","","","","","","1.024","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502870","20.2337","0.0009","12.6399","0.0004","22.2082","0.0008","90","","110.871","0.005","90","","5307.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl9 F6 I6 N6 -","- C34 H43 Cl9 F6 I6 N6 -","- C136 H172 Cl36 F24 I24 N24 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0513","0.0343","","","0.0725","0.0753","","","","","","1.08","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502871","27.3744","0.0009","7.0166","0.0002","26.3653","0.0009","90","","93.36","0.003","90","","5055.4","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H59 Cl6 F8 I4 N3 O4 -","- C33 H59 Cl6 F8 I4 N3 O4 -","- C132 H236 Cl24 F32 I16 N12 O16 -","4","0.5","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0414","0.0293","","","0.0705","0.0726","","","","","","1.03","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502872","20.2571","0.0003","20.2571","0.0003","25.549","0.0006","90","","90","","120","","9079.4","0.3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C13 H17 Cl2 F3 I3 N -","- C13 H17 Cl2 F3 I3 N -","- C234 H306 Cl36 F54 I54 N18 -","18","0.5","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0554","0.0305","","","0.0676","0.0713","","","","","","1.054","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502873","9.4638","0.0018","13.389","0.002","13.149","0.003","90","","97.521","0.007","90","","1651.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Si2 -","- C40 H42 Si2 -","- C80 H84 Si4 -","2","0.5","","Burke, Kerry B.; Shu, Ying; Kemppinen, Peter; Singh, Birendra; Bown, Mark; Liaw, Irving I.; Williamson, Rachel M.; Thomsen, Lars; Dastoor, Paul; Belcher, Warwick; Forsyth, Craig; Winzenberg, Kevin N.; Collis, Gavin E.","Single Crystal X-ray, AFM, NEXAFS, and OFET Studies on Angular Polycyclic Aromatic Silyl-Capped 7,14-Bis(ethynyl)dibenzo[b,def]chrysenes","Crystal Growth & Design","2012","12","2","725","","10.1021/cg201020w","","","0.71073","MoKα","","0.0563","0.0417","","","0.1145","0.1241","","","","","","1.072","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502874","8.0322","0.0004","8.4306","0.0005","16.3624","0.001","88.66","0.003","81.815","0.003","61.977","0.002","966.93","0.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H54 Si2 -","- C46 H54 Si2 -","- C46 H54 Si2 -","1","0.5","","Burke, Kerry B.; Shu, Ying; Kemppinen, Peter; Singh, Birendra; Bown, Mark; Liaw, Irving I.; Williamson, Rachel M.; Thomsen, Lars; Dastoor, Paul; Belcher, Warwick; Forsyth, Craig; Winzenberg, Kevin N.; Collis, Gavin E.","Single Crystal X-ray, AFM, NEXAFS, and OFET Studies on Angular Polycyclic Aromatic Silyl-Capped 7,14-Bis(ethynyl)dibenzo[b,def]chrysenes","Crystal Growth & Design","2012","12","2","725","","10.1021/cg201020w","","","0.71073","MoKα","","0.0817","0.0749","","","0.1329","0.1355","","","","","","1.265","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502875","20.5754","0.0014","11.548","0.0008","14.0617","0.001","90","","116.53","0.001","90","","2989.3","0.4","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N6 O6 Zn -","- C28 H32 N6 O6 Zn -","- C112 H128 N24 O24 Zn4 -","4","0.5","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0548","0.0382","","","0.0782","0.0845","","","","","","1.062","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502876","20.4671","0.0011","11.4539","0.0006","14.1389","0.0008","90","","116.195","0.001","90","","2974.1","0.3","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Co N6 O6 -","- C28 H32 Co N6 O6 -","- C112 H128 Co4 N24 O24 -","4","0.5","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0491","0.0389","","","0.1062","0.1132","","","","","","1.077","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502877","17.3468","0.0008","7.2668","0.0003","24.8936","0.0009","90","","111.93","0.002","90","","2910.9","0.2","187","2","187","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H32 Cd N6 O6 -","- C28 H18 Cd N6 O6 -","- C112 H72 Cd4 N24 O24 -","4","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0525","0.0396","","","0.104","0.1121","","","","","","1.042","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502878","12.6318","0.0008","12.8249","0.0008","13.5305","0.0008","79.972","0.001","70.958","0.001","70.014","0.001","1942.4","0.2","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N7 O7 Zn -","- C37 H22 N7 O7 Zn -","- C74 H44 N14 O14 Zn2 -","2","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.1123","0.0788","","","0.2134","0.2415","","","","","","1.037","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502879","12.6183","0.0006","12.8952","0.0006","13.6128","0.0006","79.381","0.001","70.778","0.001","69.572","0.001","1953.96","0.16","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 Co N7 O7 -","- C37 H22 Co N7 O7 -","- C74 H44 Co2 N14 O14 -","2","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0987","0.0782","","","0.2197","0.2398","","","","","","1.05","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502880","10.1872","0.0005","10.5478","0.0006","14.1089","0.0009","68.113","0.001","73.021","0.001","71.965","0.001","1310.57","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cd N5 O6 -","- C22 H18 Cd N4 O5 -","- C44 H36 Cd2 N8 O10 -","2","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0509","0.0417","","","0.0957","0.0998","","","","","","1.07","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502881","18.7116","0.0009","10.8977","0.0005","14.6613","0.0007","90","","90","","90","","2989.6","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.05","0.0376","","","0.0873","0.0918","","","","","","0.977","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502882","34.7613","0.0014","13.1219","0.0005","27.2378","0.001","90","","105.815","0.001","90","","11953.8","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N8 O8 Zn2 -","- C44 H36 N8 O8 Zn2 -","- C352 H288 N64 O64 Zn16 -","8","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0716","0.0437","","","0.097","0.1049","","","","","","0.938","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502883","9.5136","0.0008","16.649","0.0014","17.566","0.0015","90","","97.206","0.002","90","","2760.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0914","0.052","","","0.1075","0.1185","","","","","","0.874","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502884","7.4114","0.0004","11.5597","0.0006","20.5406","0.0011","87.343","0.004","82.433","0.005","73.09","0.005","1668.98","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Cu2V4O16-2D","","","- C24 H18 Cu2 N4 O22 P3 V4 -","- C24 H18 Cu2 N4 O22 P3 V4 -","- C48 H36 Cu4 N8 O44 P6 V8 -","2","1","","Dey, Chandan; Das, Raja; Poddar, Pankaj; Banerjee, Rahul","Solid Phase Morphological Diversity of a Rare Vanadium Cubane (V4O16) Based Metal Organic Framework","Crystal Growth & Design","2012","12","1","12","","10.1021/cg201030u","","","0.71073","MoKα","","0.071","0.0428","","","0.0941","0.1019","","","","","","0.933","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502885","15.578","0.003","15.578","0.003","16.521","0.003","90","","90","","120","","3472.1","1.1","173","2","173","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C48 H30 O16 Zn3 -","- C48 H30 O16 Zn3 -","- C96 H60 O32 Zn6 -","2","0.166667","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.0539","0.0421","","","0.114","0.1195","","","","","","1.063","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502886","15.2766","0.0011","19.701","0.0014","15.5903","0.0011","90","","90","","90","","4692.1","0.6","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N4 O12 Zn2 -","- C48 H52 N4 O12 Zn2 -","- C192 H208 N16 O48 Zn8 -","4","1","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.1019","0.0848","","","0.2133","0.2184","","","","","","1.043","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502887","15.81","0.003","26.422","0.006","16.435","0.004","90","","90","","90","","6865","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 N5 O14 Zn3 -","- C65 H55 N5 O14 Zn3 -","- C260 H220 N20 O56 Zn12 -","4","1","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.1001","0.0635","","","0.1743","0.1883","","","","","","0.97","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502888","15.439","0.007","15.439","0.007","28.034","0.013","90","","90","","90","","6682","5","110","2","110","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C21 H12 N O5 Zn -","- C21 H12 N O5 Zn -","- C168 H96 N8 O40 Zn8 -","8","0.25","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.0771","0.0614","","","0.2297","0.2529","","","","","","1.114","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502889","6.8921","0.0006","8.5612","0.0007","18.9507","0.0016","96.295","0.001","98.064","0.001","103.275","0.001","1065.8","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C48 H44 Co2 N8 O8 -","2","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0635","0.0565","","","0.1341","0.1392","","","","","","1.132","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502890","8.655","0.004","10.949","0.006","23.799","0.012","90","","100.017","0.007","90","","2220.9","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 Ni O5 -","- C24 H24 N4 Ni O5 -","- C96 H96 N16 Ni4 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0385","0.0331","","","0.0835","0.0865","","","","","","1.069","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502891","8.37","0.004","10.357","0.005","13.037","0.006","101.575","0.006","90.785","0.006","101.798","0.007","1082","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 Cu N8 O14 -","- C38 H50 Cu N8 O14 -","- C38 H50 Cu N8 O14 -","1","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0475","0.0433","","","0.1031","0.1057","","","","","","1.083","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502892","9.0096","0.0009","20.558","0.002","9.7353","0.001","90","","100.547","0.002","90","","1772.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co2 N5 O6 -","- C16 H11 Co1.899 N5 O6 -","- C64 H44 Co7.596 N20 O24 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0781","0.0729","","","0.1893","0.1929","","","","","","1.145","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502893","27.375","0.006","7.277","0.0015","24.644","0.005","90","","106.24","0.03","90","","4713.4","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 Co F6 N2 O4 -","- C24 H15 Co F6 N2 O4 -","- C192 H120 Co8 F48 N16 O32 -","8","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0447","0.0372","","","0.0912","0.0942","","","","","","1.053","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502894","10.122","0.003","12.159","0.004","13.553","0.004","91.707","0.005","109.504","0.005","102.552","0.005","1525.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Co N7 O8 -","- C28 H28 Co N7 O8 -","- C56 H56 Co2 N14 O16 -","2","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0804","0.0651","","","0.1456","0.1543","","","","","","1.112","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502895","8.075","0.002","10.153","0.003","11.524","0.003","74.675","0.005","77.784","0.005","70.735","0.005","852.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Ag B F4 N2 O4 -","- C16 H14 Ag B F4 N2 O4 -","- C32 H28 Ag2 B2 F8 N4 O8 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0257","0.0253","","","0.0675","0.0678","","","","","","1.131","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502896","8.1979","0.0006","10.1452","0.0008","11.5751","0.0009","74.888","0.002","77.195","0.002","70.615","0.002","867.01","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Ag Cl N2 O8 -","- C16 H14 Ag Cl N2 O8 -","- C32 H28 Ag2 Cl2 N4 O16 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.028","0.0264","","","0.0657","0.0665","","","","","","1.092","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502897","16.3714","0.0018","6.4132","0.0007","18.82","0.002","90","","109.452","0.003","90","","1863.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 Ag Cl N2 O9 -","- C16 H16 Ag Cl N2 O9 -","- C64 H64 Ag4 Cl4 N8 O36 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0817","0.0654","","","0.1534","0.1629","","","","","","1.054","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502898","3.6084","0.0007","9.9374","0.0017","12.728","0.002","73.315","0.003","87.944","0.003","84.004","0.003","434.79","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Ag2 N2 O7 -","- C16 H12 Ag2 N2 O7 -","- C16 H12 Ag2 N2 O7 -","1","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0368","0.0337","","","0.0916","0.0932","","","","","","1.151","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502899","9.8546","0.0009","11.4723","0.001","6.9163","0.0006","90","","109.346","0.002","90","","737.77","0.11","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag N O2 -","- C8 H6 Ag N O2 -","- C32 H24 Ag4 N4 O8 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0502","0.0425","","","0.1027","0.1073","","","","","","1.042","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502900","9.1159","0.0008","9.6256","0.0008","12.3162","0.0011","106.127","0.002","106.549","0.002","99.865","0.002","957.65","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16.5 H18 Ag2 N2 O7.5 -","- C16.5 H18 Ag2 N2 O7.5 -","- C33 H36 Ag4 N4 O15 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0387","0.0363","","","0.0882","0.0897","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502901","16.244","0.015","16.73","0.007","8.65","0.003","90","","105.23","0.07","90","","2268","3","288","2","288","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H30 B F4 N3 -","- C22 H30 B F4 N3 -","- C88 H120 B4 F16 N12 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71073","MoKα","","0.0925","0.0924","","","0.2271","0.2272","","","","","","1.213","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502902","16.693","0.007","16.693","0.007","16.693","0.007","90","","90","","90","","4652","3","200","2","200","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C22 H33 B F4 N3 O -","- C22 H30 B F4 N3 O -","- C176 H240 B8 F32 N24 O8 -","8","0.333333","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71075","MoKα","","0.1016","0.0601","","","0.1788","0.1948","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502903","11.0984","0.0019","16.579","0.003","13.67","0.003","90","","98.731","0.009","90","","2486.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 B F4 N3 -","- C25 H36 B F4 N3 -","- C100 H144 B4 F16 N12 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.7107","MoKα","","0.1026","0.0922","","","0.1963","0.2023","","","","","","1.227","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502904","15.9946","0.0016","9.3589","0.0008","19.3134","0.0014","90","","104.949","0.002","90","","2793.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N7 -","- C34 H34 N7 -","- C136 H136 N28 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71069","MoKα","","0.1366","0.0749","","","0.1854","0.2226","","","","","","1.029","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502905","16.4664","0.0007","9.8133","0.0004","18.6732","0.0007","90","","104.736","0.001","90","","2918.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N7 -","- C34 H34 N7 -","- C136 H136 N28 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71069","MoKα","","0.0837","0.0564","","","0.1521","0.1724","","","","","","1.018","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502906","11.2462","0.0017","26.971","0.004","17.23","0.003","90","","103.151","0.002","90","","5089.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N10 O8.5 S4 -","- C15 H23 N10 O8.5 S4 -","- C120 H184 N80 O68 S32 -","8","2","","Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert","Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids","Crystal Growth & Design","2012","12","2","811","824","10.1021/cg201140g","","","0.71073","MoKα","","0.084","0.0513","","","0.1123","0.126","","","","","","1.026","","","","has coordinates","211130","2020-10-21","18:00:00",""
"4502907","8.82","0.0008","9.1977","0.0008","14.8854","0.0014","95.872","0.002","100.119","0.002","102.197","0.002","1149.68","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N9 O8 S4 -","- C15 H19 N9 O8 S4 -","- C30 H38 N18 O16 S8 -","2","1","","Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert","Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids","Crystal Growth & Design","2012","12","2","811","824","10.1021/cg201140g","","","0.71073","MoKα","","0.0753","0.0679","","","0.1386","0.142","","","","","","1.292","","","","has coordinates","211130","2020-10-21","18:00:00",""
"4502908","9.763","0.003","14.434","0.004","22.839","0.007","90","","94.942","0.006","90","","3206.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N12 O13 S6 -","- C19 H24 N12 O13 S6 -","- C76 H96 N48 O52 S24 -","4","1","","Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert","Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids","Crystal Growth & Design","2012","12","2","811","824","10.1021/cg201140g","","","0.71073","MoKα","","0.117","0.063","","","0.1134","0.1373","","","","","","1.017","","","","has coordinates","211130","2020-10-21","18:00:00",""
"4502909","8.6156","0.0012","10.4253","0.0014","11.6675","0.0016","79.91","0.002","86.334","0.002","88.606","0.002","1029.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N8 O5 S2 -","- C16 H18 N8 O5 S2 -","- C32 H36 N16 O10 S4 -","2","1","","Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert","Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids","Crystal Growth & Design","2012","12","2","811","824","10.1021/cg201140g","","","0.71073","MoKα","","0.0783","0.068","","","0.143","0.1475","","","","","","1.28","","","","has coordinates","211130","2020-10-21","18:00:00",""
"4502910","18.883","0.003","14.49","0.0008","14.237","0.004","90","","125.3","0.03","90","","3179.2","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N2 O16 Zn -","- C28 H34 N2 O16 Zn -","- C112 H136 N8 O64 Zn4 -","4","0.5","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0515","0.0393","","","0.1098","0.1143","","","","","","0.915","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502911","13.8606","0.0004","16.9142","0.0005","18.1588","0.0005","112.895","0.003","96.84","0.002","101.84","0.002","3743.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C148 H116 N14 O47 Zn8 -","- C148 H116 N14 O47 Zn8 -","- C148 H116 N14 O47 Zn8 -","1","0.5","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0815","0.0604","","","0.1857","0.196","","","","","","1.038","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502912","21.0705","0.0005","18.4633","0.0005","12.0995","0.0003","90","","103.461","0.003","90","","4577.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 N8 O27 Zn4 -","- C80 H60 N8 O27 Zn4 -","- C160 H120 N16 O54 Zn8 -","2","0.25","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0654","0.0505","","","0.1526","0.157","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502913","27.8969","0.0013","7.5757","0.0002","21.3408","0.0009","90","","118.087","0.006","90","","3979","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 N O9 Zn2 -","- C22 H12 N O9 Zn2 -","- C176 H96 N8 O72 Zn16 -","8","1","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0494","0.0338","","","0.0992","0.1037","","","","","","0.884","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502914","9.5741","0.0008","11.4403","0.0014","25.674","0.003","90","","90","","90","","2812.1","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H22 N2 O11 Zn2 -","- C28 H22 N2 O11 Zn2 -","- C112 H88 N8 O44 Zn8 -","4","0.5","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0611","0.0562","","","0.1348","0.1366","","","","","","1.192","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502915","8.251","0.002","11.315","0.002","16.222","0.004","90","","101.949","0.006","90","","1481.7","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C56 H48 Ag4 N20 O12 -","4","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0285","0.0275","","","0.0632","0.064","","","","","","1.138","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502916","11.632","0.002","7.5766","0.0015","25.228","0.005","90","","97.1","0.03","90","","2206.3","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Ag2 Cl2 N12 O8 S0 -","- C42 H36 Ag2 Cl2 N12 O8 -","- C84 H72 Ag4 Cl4 N24 O16 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0618","0.0396","","","0.0799","0.0935","","","","","","1.086","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502917","7.889","0.002","5.7444","0.0017","16.373","0.005","90","","101.986","0.006","90","","725.8","0.4","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C28 H24 Ag2 N10 O6 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0329","0.0316","","","0.0759","0.0769","","","","","","1.143","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502918","8.2396","0.0007","5.8279","0.0003","17.5896","0.001","90","","96.827","0.003","90","","838.66","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Ag N3 O2 -","- C7 H6 Ag N3 O2 -","- C28 H24 Ag4 N12 O8 -","4","1","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0962","0.0488","","","0.0965","0.1607","","","","","","1.158","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502919","9.6802","0.0019","16.899","0.003","10.494","0.002","90","","91.02","0.03","90","","1716.4","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag F6 N4 P -","- C14 H12 Ag F6 N4 P -","- C56 H48 Ag4 F24 N16 P4 -","4","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0283","0.0221","","","0.0513","0.0541","","","","","","1.092","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502920","11.2074","0.0002","15.8342","0.0004","16.8635","0.0003","90","","90.554","0.001","90","","2992.46","0.11","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 Cl I2 P2 Pd -","- C24 H43 Cl I2 P2 Pd -","- C96 H172 Cl4 I8 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","Mokα","","0.0295","0.0257","","","0.068","0.076","","","","","","1.057","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502921","15.9789","0.0004","17.4537","0.0005","12.7454","0.0003","90","","91.485","0.002","90","","3553.38","0.16","123","0.1","123","0.1","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 Cl F4 I2 P2 Pd -","- C30 H43 Cl F4 I2 P2 Pd -","- C120 H172 Cl4 F16 I8 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","Mokα","","0.0595","0.05","","","0.1202","0.1245","","","","","","1.071","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502922","11.2641","0.0003","15.8359","0.0005","17.0352","0.0005","90","","90.879","0.002","90","","3038.33","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 Br I2 P2 Pd -","- C24 H43 Br I2 P2 Pd -","- C96 H172 Br4 I8 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","MoKα","","0.076","0.0505","","","0.0942","0.1023","","","","","","1.094","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502923","17.1567","0.0006","13.1863","0.0006","15.6856","0.0007","90","","93.978","0.002","90","","3540.1","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H43 Br F4 I2 P2 Pd -","- C30 H43 Br F4 I2 P2 Pd -","- C120 H172 Br4 F16 I8 P8 Pd4 -","4","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","MoKα","","0.0348","0.0282","","","0.0622","0.0646","","","","","","1.032","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502924","15.6991","0.0005","13.8991","0.0006","17.1536","0.0007","90","","90.968","0.002","90","","3742.4","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 Br F8 I2 P2 Pd -","- C28 H43 Br F8 I2 P2 Pd -","- C112 H172 Br4 F32 I8 P8 Pd4 -","4","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","MoKα","","0.0481","0.0367","","","0.0755","0.0798","","","","","","1.073","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502925","10.3069","0.0004","26.4128","0.0009","11.3538","0.0004","90","","102.766","0.002","90","","3014.49","0.19","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 I3 P2 Pd -","- C24 H43 I3 P2 Pd -","- C96 H172 I12 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","MoKα","","0.0392","0.0316","","","0.0914","0.112","","","","","","1.052","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502926","10.9354","0.0002","5.6281","0.0001","16.6297","0.0003","90","","102.973","0.002","90","","997.36","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-bromo-2-[(aminopropyl)methyl]-phenol","","- C10 H14 Br N O -","- C10 H14 Br N O -","- C40 H56 Br4 N4 O4 -","4","1","","Kołodziejczak, Jerzy; Adamczyk-Woźniak, Agnieszka; Hachuła, Barbara; Barys, Maciej; Flakus, Henryk T.; Sporzyński, Andrzej; Koll, Aleksander","Intermolecular Interactions in the Solid State of Ionic Secondary Mannich Bases","Crystal Growth & Design","2012","12","2","589","","10.1021/cg201179x","","","0.71073","MoKα","","0.0276","0.0187","","","0.0423","0.0458","","","","","","1.036","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502927","5.391","0.0003","9.6335","0.0005","10.2582","0.0006","73.516","0.005","87.835","0.004","82.886","0.004","506.92","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-nitro-2-[(aminopropyl)methyl]-phenol","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C20 H28 N4 O6 -","2","1","","Kołodziejczak, Jerzy; Adamczyk-Woźniak, Agnieszka; Hachuła, Barbara; Barys, Maciej; Flakus, Henryk T.; Sporzyński, Andrzej; Koll, Aleksander","Intermolecular Interactions in the Solid State of Ionic Secondary Mannich Bases","Crystal Growth & Design","2012","12","2","589","","10.1021/cg201179x","","","0.71073","MoKα","","0.0405","0.0338","","","0.0905","0.0955","","","","","","1.041","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502928","10.506","0.007","11.575","0.008","12.026","0.008","82.328","0.014","77.199","0.014","83.932","0.013","1408.9","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Ag2 F6 N8 O6 S2 -","- C20 H14 Ag2 F6 N8 O6 S2 -","- C40 H28 Ag4 F12 N16 O12 S4 -","2","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.0518","0.0404","","","0.1094","0.119","","","","","","1.026","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502929","15.692","0.008","16.14","0.008","20.812","0.011","92.159","0.011","97.23","0.011","118.277","0.009","4576","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H43 Ag6 F18 N24 O21.5 S12 -","- C54 H36 Ag6 F18 N24 O21.5 S12 -","- C108 H72 Ag12 F36 N48 O43 S24 -","2","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.0865","0.0486","","","0.1215","0.151","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502930","12.429","0.005","16.447","0.007","10.574","0.005","90","","93.629","0.008","90","","2157.2","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Ag2 F10 N4 O4 S -","- C14 H6 Ag2 F10 N4 O4 S -","- C56 H24 Ag8 F40 N16 O16 S4 -","4","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.1857","0.0866","","","0.2054","0.2887","","","","","","1.084","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502931","6.4342","0.0002","7.9231","0.0003","21.6589","0.0008","90","","90","","90","","1104.14","0.07","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Ag N5 O3 S -","- C8 H6 Ag N5 O3 S -","- C32 H24 Ag4 N20 O12 S4 -","4","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.0236","0.0217","","","0.0512","0.0521","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502932","11.9403","0.0004","12.0036","0.0003","15.6419","0.0004","69.201","0.002","70.396","0.002","79.961","0.002","1970.44","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Ag3 Cl3 N12 O12 S3 -","- C24 H18 Ag3 Cl3 N12 O12 S3 -","- C48 H36 Ag6 Cl6 N24 O24 S6 -","2","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.1138","0.0882","","","0.2015","0.2137","","","","","","1.118","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502933","9.577","0.001","13.027","0.002","16.796","0.002","89.144","0.002","85.349","0.002","81.51","0.002","2065.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl2 N2 O8 Pt -","- C42 H42 Cl2 N2 O8 Pt -","- C84 H84 Cl4 N4 O16 Pt2 -","2","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0855","0.0497","","","0.1094","0.1335","","","","","","1.153","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502934","13.526","0.001","15.172","0.001","17.955","0.001","79.538","0.001","71.919","0.001","86.574","0.001","3444.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H30.5 Cl3.5 N2 O2 Pt -","- C36.5 H30.5 Cl3.5 N2 O2 Pt -","- C146 H122 Cl14 N8 O8 Pt4 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0744","0.037","","","0.0711","0.0773","","","","","","0.846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502935","13.5935","0.0019","14.7377","0.0015","17.68","0.003","90","","98.757","0.011","90","","3500.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H36 Cl2 N2 O3 Pt -","- C39 H36 Cl2 N2 O3 Pt -","- C156 H144 Cl8 N8 O12 Pt4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0864","0.0579","","","0.1355","0.1501","","","","","","1.005","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502936","13.83","0.04","14.24","0.04","17.57","0.06","81.27","0.06","80.12","0.05","89.1","0.1","3369","18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 N2 O2 Pt -","- C36 H30 Cl2 N2 O2 Pt -","- C144 H120 Cl8 N8 O8 Pt4 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.256","0.1906","","","0.4532","0.517","","","","","","2.151","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502937","9.576","0.002","13.448","0.004","17.558","0.005","96.543","0.003","80.661","0.003","78.431","0.003","2160.5","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl2 N2 O4.5 Pt -","- C46 H50 Cl2 N2 O4.5 Pt -","- C92 H100 Cl4 N4 O9 Pt2 -","2","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0932","0.0392","","","0.0719","0.0939","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502938","20.256","0.002","8.335","0.001","21.056","0.002","90","","93.515","0.002","90","","3548.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Cl2 N2 O3 Pt -","- C38 H38 Cl2 N2 O4 Pt -","- C152 H152 Cl8 N8 O16 Pt4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0397","0.0242","","","0.0427","0.0449","","","","","","0.865","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502939","13.822","0.001","14.991","0.001","17.094","0.001","78.33","0.001","71.749","0.001","85.893","0.001","3294.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 Cl2 N2 O3 Pt -","- C37 H34 Cl2 N2 O3 Pt -","- C148 H136 Cl8 N8 O12 Pt4 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0344","0.024","","","0.0537","0.056","","","","","","0.964","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502940","9.3556","0.0008","10.5786","0.0009","24.03","0.02","90","","97.3","0.001","90","","2359","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 N2 O6 Pt S4 -","- C44 H54 Cl2 N2 O6 Pt S4 -","- C88 H108 Cl4 N4 O12 Pt2 S8 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0596","0.0364","","","0.0927","0.1004","","","","","","0.967","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502941","7.672","0.002","18.482","0.004","14.479","0.003","90","","106.31","0.01","90","","1970.4","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cl2 N2 O4 Pt S2 -","- C40 H42 Cl2 N2 O4 Pt S2 -","- C80 H84 Cl4 N4 O8 Pt2 S4 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0363","0.0237","","","0.0646","0.0682","","","","","","1.004","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502942","10.718","0.001","17.391","0.002","16.807","0.002","90","","95.796","0.002","90","","3116.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O2 Pt -","- C36 H30 Cl2 N2 O2 Pt -","- C144 H120 Cl8 N8 O8 Pt4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0431","0.0312","","","0.076","0.0792","","","","","","1.006","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502943","7.288","0.001","18.572","0.003","14.618","0.002","90","","104.342","0.002","90","","1916.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl2 N2 O4 Pt -","- C42 H42 Cl2 N2 O4 Pt -","- C84 H84 Cl4 N4 O8 Pt2 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.2433","0.236","","","0.5499","0.5525","","","","","","1.32","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502944","10.26101","0.00005","11.1001","0.0005","11.4935","0.0005","90","","112.864","0.0013","90","","1206.23","0.08","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Mostovich, Evgeny A.; Borozdina, Yulia; Enkelmann, Volker; Remović-Langer, Katarina; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Planar Biphenyl-Bridged Biradicals as Building Blocks for the Design of Quantum Magnets","Crystal Growth & Design","2012","12","1","54","","10.1021/cg201224g","","","0.71073","MoKα","","0.0618","0.061","","0.0571","0.0565","0.0571","","","","","","0.8569","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502945","9.3251","0.0013","9.5489","0.0015","17.906","0.002","90","","90.793","0.01","90","","1594.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(para-aminobenzonitrile)silver(I)-nitrate","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C56 H48 Ag4 N20 O12 -","4","1","","Lamann-Glees, Alexandra; Ruschewitz, Uwe","Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile","Crystal Growth & Design","2012","12","2","854","","10.1021/cg201244y","","","0.71073","MoKα","","0.0738","0.0439","","","0.1086","0.1189","","","","","","1.089","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502946","9.575","0.0009","10.113","0.0015","18.4699","0.0015","90","","91.067","0.011","90","","1788.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(para-aminobenzonitrile)silver(I)-hexafluorophosphate","Bis(para-aminobenzonitrile)silver(I)-hexafluorophospahte","","- C14 H12 Ag F6 N4 P -","- C14 H12 Ag F6 N4 P -","- C56 H48 Ag4 F24 N16 P4 -","4","1","","Lamann-Glees, Alexandra; Ruschewitz, Uwe","Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile","Crystal Growth & Design","2012","12","2","854","","10.1021/cg201244y","","","0.71073","MoKα","","0.081","0.0453","","","0.1189","0.133","","","","","","0.968","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502947","9.3563","0.0017","9.8376","0.001","18.38","0.003","90","","91.128","0.013","90","","1691.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(para-aminobenzonitrile)silver(I)-perchlorate","Bis(para-aminobenzonitrile)silver(I)-perchlorate","","- C14 H12 Ag Cl N4 O4 -","- C14 H12 Ag Cl N4 O4 -","- C56 H48 Ag4 Cl4 N16 O16 -","4","1","","Lamann-Glees, Alexandra; Ruschewitz, Uwe","Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile","Crystal Growth & Design","2012","12","2","854","","10.1021/cg201244y","","","0.71073","MoKα","","0.1283","0.0492","","","0.115","0.1478","","","","","","0.835","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502948","9.9223","0.0017","10.079","0.0017","10.9222","0.0018","111.266","0.018","111.231","0.018","90.15","0.02","937.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Bis(para-aminobenzonitrile)silver(I)-methanesulfonate","Bis(para-aminobenzonitrile)silver(I)-methanesulfonate","","- C15 H12 Ag F3 N4 O3 S -","- C15 H12 Ag F3 N4 O3 S -","- C30 H24 Ag2 F6 N8 O6 S2 -","2","1","","Lamann-Glees, Alexandra; Ruschewitz, Uwe","Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile","Crystal Growth & Design","2012","12","2","854","","10.1021/cg201244y","","","0.71073","MoKα","","0.0619","0.0511","","","0.1549","0.1621","","","","","","1.321","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502949","11.186","0.002","11.898","0.002","16.009","0.003","90","","109.868","0.002","90","","2003.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cd N2 O4 -","- C23 H22 Cd N2 O4 -","- C92 H88 Cd4 N8 O16 -","4","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0452","0.0416","","","0.1083","0.1115","","","","","","1.076","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502950","8.9897","0.0018","12.395","0.003","12.752","0.003","100.836","0.003","95.33","0.003","111.089","0.003","1282","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cd N2 O6 -","- C26 H32 Cd N2 O6 -","- C52 H64 Cd2 N4 O12 -","2","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0838","0.054","","","0.1245","0.1659","","","","","","1.144","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502951","8.6902","0.0016","13.818","0.003","15.034","0.003","87.335","0.004","78.874","0.004","87.676","0.004","1768.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H20 Cd F6 N2 O4 -","- C33 H20 Cd F6 N2 O4 -","- C66 H40 Cd2 F12 N4 O8 -","2","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0782","0.0449","","","0.0812","0.084","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502952","15.639","0.002","27.036","0.002","16.7178","0.0018","90","","112.05","0.003","90","","6551.5","1.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H86 Co4 N8 O27 S4 -","- C120 H86 Co4 N8 O27 S4 -","- C240 H172 Co8 N16 O54 S8 -","2","0.25","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0611","0.0529","","","0.1565","0.1642","","","","","","1.014","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502953","15.51","0.002","15.517","0.002","19.962","0.003","98.381","0.003","93.697","0.003","117.22","0.002","4179.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H58 N6 Ni2 O15 S2 -","- C76 H58 N6 Ni2 O15 S2 -","- C152 H116 N12 Ni4 O30 S4 -","2","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.1244","0.0589","","","0.1435","0.1701","","","","","","1.051","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502954","11.656","0.001","15.5098","0.0014","12.8107","0.0011","90","","108.723","0.002","90","","2193.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Co N2 O7 -","- C25 H18 Co N2 O7 -","- C100 H72 Co4 N8 O28 -","4","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0582","0.0498","","","0.1224","0.129","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502955","5.5072","0.0004","17.1769","0.0012","21.103","0.0016","90","","90","","90","","1996.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.0732","0.0438","","","0.078","0.0874","","","","","","1.06","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502956","10.578","0.004","11.874","0.005","32.517","0.013","90","","94.152","0.007","90","","4074","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C168 H192 N16 O40 -","8","4","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.1725","0.088","","","0.1972","0.2402","","","","","","1.027","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502957","9.4118","0.0008","22.0408","0.0019","11.9009","0.001","90","","109.246","0.003","90","","2330.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","2","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.0888","0.0473","","","0.1194","0.1509","","","","","","0.811","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502958","13.2695","0.0005","13.0089","0.0004","14.3873","0.0006","90","","109.572","0.004","90","","2340.06","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C120 H96 N16 -","8","2","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0446","0.0359","","","0.0956","0.0983","","","","","","1.055","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502959","11.46351","0.00019","8.90996","0.00015","12.0381","0.0002","90","","93.784","0.0017","90","","1226.88","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0434","0.0363","","","0.0942","0.0968","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502960","9.7672","0.0005","14.0066","0.0007","21.7244","0.001","90","","98.867","0.004","90","","2936.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 Co N4 -","- C32 H28 Cl2 Co N4 -","- C128 H112 Cl8 Co4 N16 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0525","0.0304","","","0.0646","0.0664","","","","","","0.942","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502961","9.6396","0.0003","12.3915","0.0004","24.7653","0.0008","90","","91.696","0.003","90","","2956.9","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 Co N4 -","- C32 H28 Cl2 Co N4 -","- C128 H112 Cl8 Co4 N16 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0433","0.0281","","","0.0649","0.0661","","","","","","0.981","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502962","28.6528","0.0013","28.6528","0.0013","14.0756","0.0007","90","","90","","90","","11555.8","0.9","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 Co N4 -","- C32 H28 Br2 Co N4 -","- C512 H448 Br32 Co16 N64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.053","0.0302","","","0.0418","0.0435","","","","","","0.882","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502963","29.0776","0.0004","29.0776","0.0004","14.2124","0.0003","90","","90","","90","","12016.7","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Co I2 N4 -","- C32 H28 Co I2 N4 -","- C512 H448 Co16 I32 N64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0325","0.0297","","","0.0665","0.0686","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502964","28.4928","0.0007","28.4928","0.0007","14.1575","0.0005","90","","90","","90","","11493.6","0.6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Co N6 O4 -","- C32 H28 Co N6 O4 -","- C512 H448 Co16 N96 O64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0464","0.0332","","","0.065","0.0675","","","","","","1.018","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502965","25.1956","0.0007","17.7799","0.0005","13.5452","0.0004","90","","103.003","0.003","90","","5912.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.26 H62.52 Cl2 Co N8 O10 -","- C65.26 H62.52 Cl2 Co N8 O10 -","- C261.04 H250.08 Cl8 Co4 N32 O40 -","4","0.5","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0947","0.0474","","","0.0912","0.0974","","","","","","0.942","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502966","9.3142","0.0007","12.3652","0.0008","15.244","0.0007","83.582","0.005","88.587","0.005","82.464","0.006","1729.52","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cl6 Co N4 O -","- C32 H30 Cl6 Co N4 O -","- C64 H60 Cl12 Co2 N8 O2 -","2","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0827","0.0452","","","0.0834","0.0914","","","","","","0.943","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502967","16.3578","0.0007","9.8345","0.0004","19.5282","0.0008","90","","104.983","0.004","90","","3034.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br2 Cl2 Co N4 -","- C31 H26 Br2 Cl2 Co N4 -","- C124 H104 Br8 Cl8 Co4 N16 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0465","0.0282","","","0.048","0.0494","","","","","","0.903","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502968","23.9011","0.0008","13.6947","0.0005","28.7631","0.0012","90","","92.381","0.005","90","","9406.6","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45 H36 Co I2 N6 -","- C45 H36 Co I2 N6 -","- C360 H288 Co8 I16 N48 -","8","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0556","0.0356","","","0.087","0.0931","","","","","","0.996","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502969","12.1557","0.0004","16.6468","0.0005","13.5929","0.0004","90","","94.219","0.003","90","","2743.12","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Co N6 O6 -","- C30 H24 Co N6 O6 -","- C120 H96 Co4 N24 O24 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","1.5418","CuKα","","0.0605","0.0558","","","0.1453","0.1479","","","","","","1.065","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502970","12.0949","0.0003","24.0933","0.0005","22.5656","0.0006","90","","91.383","0.002","90","","6573.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.1 H60.2 Cl2 Co N8 O10.7 -","- C65.1 H60.2 Cl2 Co N8 O10.7 -","- C260.4 H240.8 Cl8 Co4 N32 O42.8 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0717","0.0508","","","0.146","0.1536","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502971","9.7848","0.0003","14.0339","0.0004","21.6551","0.0007","90","","98.583","0.003","90","","2940.35","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 N4 Zn -","- C32 H28 Cl2 N4 Zn -","- C128 H112 Cl8 N16 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0416","0.0282","","","0.072","0.0744","","","","","","1.054","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502972","9.6576","0.0002","12.37","0.0002","24.7293","0.0003","90","","91.985","0.002","90","","2952.5","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 N4 Zn -","- C32 H28 Cl2 N4 Zn -","- C128 H112 Cl8 N16 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0396","0.0279","","","0.0734","0.0758","","","","","","1.013","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502973","28.6569","0.0004","28.6569","0.0004","14.1002","0.0002","90","","90","","90","","11579.3","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 N4 Zn -","- C32 H28 Br2 N4 Zn -","- C512 H448 Br32 N64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0411","0.0336","","","0.0695","0.071","","","","","","0.985","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502974","29.0876","0.0003","29.0876","0.0003","14.2312","0.0003","90","","90","","90","","12040.9","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 I2 N4 Zn -","- C32 H28 I2 N4 Zn -","- C512 H448 I32 N64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0267","0.0239","","","0.0529","0.0548","","","","","","1.018","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502975","28.4382","0.0005","28.4382","0.0005","14.2749","0.0004","90","","90","","90","","11544.6","0.4","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 N6 O4 Zn -","- C32 H28 N6 O4 Zn -","- C512 H448 N96 O64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0416","0.035","","","0.0861","0.0875","","","","","","1.07","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502976","13.6132","0.0003","21.9563","0.0004","22.3675","0.0004","67.168","0.0018","89.2664","0.0015","75.9662","0.0017","5953","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H62 Cl2 N8 O9 Zn -","- C67 H62 Cl2 N8 O9 Zn -","- C268 H248 Cl8 N32 O36 Zn4 -","4","2","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.1033","0.0405","","","0.0514","0.056","","","","","","0.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502977","12.4444","0.0005","14.5245","0.0005","16.6375","0.0005","73.575","0.003","86.395","0.003","79.006","0.003","2831.42","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl2 N4 O Zn -","- C30 H26 Cl2 N4 O Zn -","- C120 H104 Cl8 N16 O4 Zn4 -","4","2","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0614","0.0386","","","0.0969","0.1016","","","","","","0.982","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502978","16.325","0.0008","9.8402","0.0006","19.4897","0.001","90","","105.113","0.005","90","","3022.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br2 Cl2 N4 Zn -","- C31 H26 Br2 Cl2 N4 Zn -","- C124 H104 Br8 Cl8 N16 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0679","0.0369","","","0.0578","0.0646","","","","","","0.902","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502979","12.1497","0.0011","16.6547","0.0017","13.6381","0.0013","90","","94.134","0.009","90","","2752.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N6 O6 Zn -","- C30 H24 N6 O6 Zn -","- C120 H96 N24 O24 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.1196","0.0772","","","0.1809","0.1928","","","","","","1.066","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502980","12.7797","0.0003","12.0442","0.0003","44.9891","0.0011","90","","91.257","0.002","90","","6923.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Cl8 N8 O11 Zn -","- C66 H64 Cl8 N8 O11 Zn -","- C264 H256 Cl32 N32 O44 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","1.54184","CuKα","","0.0784","0.0665","","","0.1632","0.1685","","","","","","1.075","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502981","25.8521","0.0015","9.7306","0.0007","13.3763","0.0007","90","","93.75","0.004","90","","3357.7","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cd2 N2 O11 -","- C14 H12 Cd2 N2 O11 -","- C112 H96 Cd16 N16 O88 -","8","1","","Kukovec, Boris-Marko; Venter, Gerhard A.; Oliver, Clive L.","Structural and DFT Studies on the Polymorphism of a Cadmium(II) Dipicolinate Coordination Polymer","Crystal Growth & Design","2012","12","1","456","","10.1021/cg201285g","","","0.71073","MoKα","","0.0516","0.0372","","","0.0888","0.0967","","","","","","1.064","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502982","13.4961","0.0015","9.383","0.001","13.5797","0.0015","90","","93.542","0.003","90","","1716.4","0.3","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H12 Cd2 N2 O11 -","- C14 H12 Cd2 N2 O11 -","- C56 H48 Cd8 N8 O44 -","4","1","","Kukovec, Boris-Marko; Venter, Gerhard A.; Oliver, Clive L.","Structural and DFT Studies on the Polymorphism of a Cadmium(II) Dipicolinate Coordination Polymer","Crystal Growth & Design","2012","12","1","456","","10.1021/cg201285g","","","0.71073","MoKα","","0.0423","0.0266","","","0.0583","0.0636","","","","","","1.015","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502983","31.6676","0.0022","9.851","0.0006","5.4829","0.0004","90","","98.776","0.005","90","","1690.4","0.2","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C72 H80 O16 -","8","2","","Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.","Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives","Crystal Growth & Design","2012","12","1","466","","10.1021/cg201290g","powder diffraction","x-ray","1.5418","","","","","","","","","0.07883","","2.07","","","","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502984","17.3804","0.0012","6.1389","0.0005","16.9998","0.0012","90","","91.0253","0.0035","90","","1813.5","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 O -","- C5 H6 O -","- C80 H96 O16 -","16","4","","Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.","Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives","Crystal Growth & Design","2012","12","1","466","","10.1021/cg201290g","powder diffraction","x-ray","1.5418","","","","","","","","","0.07285","","1.49","","","","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502985","13.8863","0.0014","10.647","0.0013","13.9018","0.0017","90","","114.787","0.0033","90","","1866","0.4","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.","Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives","Crystal Growth & Design","2012","12","1","466","","10.1021/cg201290g","powder diffraction","x-ray","1.5418","","","","","","","","","0.14346","","1.32","","","","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502986","6.6134","0.0003","13.1291","0.0007","18.8114","0.0013","90","","90","","90","","1633.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","0.71073","MoKα","","0.0368","0.033","","","0.0827","0.0864","","","","","","1.044","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502987","5.9162","0.0002","12.97","0.0006","20.0643","0.0009","90","","90","","90","","1539.6","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O8 -","- C12 H20 N2 O8 -","- C48 H80 N8 O32 -","4","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","0.71073","MoKα","","0.0387","0.0364","","","0.0956","0.0973","","","","","","1.042","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502988","11.9394","0.0011","5.6442","0.0005","13.2328","0.0012","90","","109.936","0.01","90","","838.3","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C32 H44 N4 O10 -","2","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","1.54184","CuKα","","0.049","0.0443","","","0.1209","0.1276","","","","","","1.095","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502989","4.86286","0.00013","20.7109","0.0006","19.3632","0.0005","90","","92.4168","0.0006","90","","1948.41","0.09","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide nicotinamide 1:1 cocrystal form I","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.1616","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502990","16.4686","0.0004","5.01253","0.00014","24.7963","0.0007","90","","108.84","0.0006","90","","1937.25","0.09","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide nicotinamide 1:1 cocrystal form II","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.1583","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502991","5.22828","0.00004","18.71272","0.00017","20.12138","0.00018","90","","94.8246","0.0005","90","","1961.61","0.03","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide nicotinamide 1:1 cocrystal form III","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.4711","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502992","40.6357","0.0013","5.36051","0.00015","18.3727","0.0005","90","","92.5034","0.0013","90","","3998.3","0.2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","furosemide nicotinamide 1:1 cocrystal form IV","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C144 H136 Cl8 N32 O48 S8 -","8","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.3955","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502993","46.9784","0.0016","5.098","0.00015","18.1866","0.0006","90","","92.568","0.0018","90","","4351.2","0.2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","furosemide nicotinamide 1:1 cocrystal hydrate","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H21 Cl N4 O8 S -","- C18 H14 Cl N4 O8 S -","- C144 H112 Cl8 N32 O64 S8 -","8","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","","","1.54187","CuKα","","","0.0661","","","","0.1456","","","","","","0.931","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502994","12.7255","0.0011","26.833","0.002","3.8938","0.0003","90","","90","","90","","1329.59","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.1121","0.0646","","","0.0971","0.1097","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502995","7.6425","0.0009","12.5079","0.0011","13.9147","0.0012","90","","90","","90","","1330.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.0343","0.0335","","","0.0866","0.0874","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502996","13.3537","0.0004","7.292","0.0002","15.1552","0.0005","90","","114.823","0.004","90","","1339.4","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.0449","0.0346","","","0.101","0.1043","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502997","4.9647","0.0008","18.738","0.003","15.175","0.002","90","","96.223","0.014","90","","1403.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.1775","0.0683","","","0.1238","0.1558","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502998","12.7202","0.0002","15.9032","0.0003","30.5436","0.0007","90","","93.2058","0.001","90","","6169.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl2 Mg N24 O32 -","- C36 H46 Cl2 Mg N24 O31.528 -","- C144 H184 Cl8 Mg4 N96 O126.112 -","4","1","","Danylyuk, Oksana; Fedin, Vladimir P.","Solid-State Supramolecular Assemblies of Tryptophan and Tryptamine with Cucurbit[6]Uril","Crystal Growth & Design","2012","12","2","550","","10.1021/cg2013914","","","0.71073","MoKα","","0.0872","0.0725","","","0.1826","0.1916","","","","","","0.992","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502999","31.3812","0.0003","31.3812","0.0003","14.7005","0.0001","90","","90","","90","","14476.8","0.2","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C58 H83 Cl2.5 N28 O25 -","- C58 H71 Cl2.544 N28 O25.234 -","- C464 H568 Cl20.352 N224 O201.872 -","8","1","","Danylyuk, Oksana; Fedin, Vladimir P.","Solid-State Supramolecular Assemblies of Tryptophan and Tryptamine with Cucurbit[6]Uril","Crystal Growth & Design","2012","12","2","550","","10.1021/cg2013914","","","0.71073","MoKα","","0.0676","0.0592","","","0.1446","0.1505","","","","","","1.088","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4503000","27.1196","0.0006","16.1001","0.0004","34.3202","0.0007","90","","97.7838","0.0007","90","","14847.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 Cl2 N28 O29 -","- C56 H62 Cl2 N28 O28.758 -","- C448 H496 Cl16 N224 O230.064 -","8","1","","Danylyuk, Oksana; Fedin, Vladimir P.","Solid-State Supramolecular Assemblies of Tryptophan and Tryptamine with Cucurbit[6]Uril","Crystal Growth & Design","2012","12","2","550","","10.1021/cg2013914","","","0.71073","MoKα","","0.1317","0.0964","","","0.2525","0.2867","","","","","","1.054","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503001","4.6581","0.001","15.16","0.003","14.836","0.003","90","","95.806","0.004","90","","1042.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 N2 O4 -","- C20 H26 Cl2 N2 O4 -","- C40 H52 Cl4 N4 O8 -","2","0.5","","Bisht, Kamal Kumar; Kathalikkattil, Amal Cherian; Suresh, Eringathodi","Hydrogen-Bonded One- and Two-Dimensional Hybrid Water-Chloride Motifs","Crystal Growth & Design","2012","12","2","556","","10.1021/cg2014094","","","0.71073","MoKα","","0.0928","0.0755","","","0.178","0.186","","","","","","1.176","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503002","11.0714","0.0014","15.225","0.002","13.2635","0.0017","90","","105.083","0.002","90","","2158.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl2 N2 O5 -","- C20 H28 Cl2 N2 O5 -","- C80 H112 Cl8 N8 O20 -","4","1","","Bisht, Kamal Kumar; Kathalikkattil, Amal Cherian; Suresh, Eringathodi","Hydrogen-Bonded One- and Two-Dimensional Hybrid Water-Chloride Motifs","Crystal Growth & Design","2012","12","2","556","","10.1021/cg2014094","","","0.71073","MoKα","","0.0587","0.05","","","0.1187","0.1234","","","","","","1.086","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503003","12.657","0.003","14.761","0.002","15.796","0.003","78.89","0.03","67.73","0.04","69.17","0.03","2546.8","1.2","223","1","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H112 Cl2 N8 Nd6 O32 -","- C84 H112 Cl2 N8 Nd6 O32 -","- C84 H112 Cl2 N8 Nd6 O32 -","1","0.5","","Liao, Sen; Yang, Xiaoping; Jones, Richard A.","Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes","Crystal Growth & Design","2012","12","2","970","","10.1021/cg201444p","","","0.710747","MoKα","","0.0485","0.0402","","","0.1","0.1069","","","","","","1.062","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503004","12.498","0.003","14.737","0.003","15.623","0.004","79.18","0.03","68.23","0.02","69.44","0.03","2496.6","1.2","223","1","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H112 Cl2 N8 O32 Tb6 -","- C84 H112 Cl2 N8 O32 Tb6 -","- C84 H112 Cl2 N8 O32 Tb6 -","1","0.5","","Liao, Sen; Yang, Xiaoping; Jones, Richard A.","Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes","Crystal Growth & Design","2012","12","2","970","","10.1021/cg201444p","","","0.710747","MoKα","","0.047","0.0407","","","0.0997","0.1036","","","","","","1.046","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503005","11.842","0.002","14.83","0.003","16.045","0.003","96.17","0.03","105.52","0.03","108.75","0.02","2512.5","1.1","223","2","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H102 Cl2 Eu6 N8 O26 -","- C80 H102 Cl2 Eu6 N8 O26 -","- C80 H102 Cl2 Eu6 N8 O26 -","1","0.5","","Liao, Sen; Yang, Xiaoping; Jones, Richard A.","Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes","Crystal Growth & Design","2012","12","2","970","","10.1021/cg201444p","","","0.710747","MoKα","","0.0625","0.0518","","","0.1304","0.1399","","","","","","1.036","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503006","15.375","0.003","18.622","0.004","19.228","0.004","71.69","0.03","67.98","0.02","83.86","0.03","4845","2","223","2","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C152 H180 Cl4 Er12 N16 O47 -","- C152 H180 Cl4 Er12 N16 O47 -","- C152 H180 Cl4 Er12 N16 O47 -","1","0.5","","Liao, Sen; Yang, Xiaoping; Jones, Richard A.","Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes","Crystal Growth & Design","2012","12","2","970","","10.1021/cg201444p","","","0.710747","MoKα","","0.1038","0.0626","","","0.121","0.1365","","","","","","1.023","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503007","26.282","0.005","6.62","0.005","7.667","0.005","90","0.005","90","0.005","90","0.005","1334","1.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 Co N2 O7 -","- C9 H7 Co N2 O7 -","- C36 H28 Co4 N8 O28 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0901","0.0647","","","0.1713","0.1893","","","","","","1.065","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503008","26.1792","0.0015","6.64","0.0004","7.6702","0.0005","90","","90","","90","","1333.31","0.14","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 N2 Ni O7 -","- C9 H7 N2 Ni O7 -","- C36 H28 N8 Ni4 O28 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0618","0.0458","","","0.1324","0.1406","","","","","","1.221","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503009","27.1331","0.0009","6.7002","0.0002","7.6817","0.0003","90","","90","","90","","1396.51","0.08","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H10 Co N O6 -","- C10 H8 Co N O6 -","- C40 H32 Co4 N4 O24 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.1019","0.0626","","","0.1905","0.2165","","","","","","1.121","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503010","26.9967","0.0009","6.6856","0.0002","7.6377","0.0003","90","","90","","90","","1378.52","0.08","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H10 N Ni O6 -","- C10 H8 N Ni O6 -","- C40 H32 N4 Ni4 O24 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0835","0.0807","","","0.2581","0.2599","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503011","16.4358","0.0009","8.0564","0.0004","19.5073","0.0011","90","","100.12","0.004","90","","2542.8","0.2","150","0.02","150","0.02","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C45 H82 O28 -","- C45 H82 O28 -","- C90 H164 O56 -","2","1","","Upreti, Mani; Smit, Jared P.; Hagen, Eric J.; Smolenskaya, Valeriya N.; Prakash, Indra","Single Crystal Growth and Structure Determination of the Natural “High Potency” Sweetener Rebaudioside A","Crystal Growth & Design","2012","12","2","990","","10.1021/cg201463g","","","1.54184","CU-Kα","","0.064","0.058","","","0.157","0.162","","","","","","1.067","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503012","9.2366","0.001","9.2366","0.001","63.693","0.006","90","","90","","120","","4705.9","0.8","90","0.5","90","0.5","","","","","","","","6","P 65","P 65","170","","","","- C21 H39 N4 O12 P3 S3 -","- C21 H39 N4 O12 P3 S3 -","- C126 H234 N24 O72 P18 S18 -","6","1","","Hossain, Md Alamgir; Işıklan, Muhammet; Pramanik, Avijit; Saeed, Musabbir A.; Fronczek, Frank R.","Anion Cluster: Assembly of Dihydrogen Phosphates for the Formation of a Cyclic Anion Octamer.","Crystal growth & design","2012","12","2","567","571","10.1021/cg201464k","","","1.54178","CuKα","","0.0261","0.0261","","","0.0657","0.0657","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503013","15.297","0.003","53.58","0.011","14.422","0.003","90","","90","","90","","11820","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","SU-62","","","- C16 H62 Ge20 N8 O50 -","- C16 H68 Ge20 N8 O50 -","- C128 H544 Ge160 N64 O400 -","8","0.5","","Inge, A. Ken; Peskov, Maxim V.; Sun, Junliang; Zou, Xiaodong","SU-62: Synthesis and Structure Investigation of a Germanate with a Novel Three-Dimensional Net and Interconnected 10- and 14-Ring Channels","Crystal Growth & Design","2012","12","1","369","","10.1021/cg201482n","","","0.9077","synchrotron","","0.0275","0.0267","","","0.0632","0.0634","","","","","","1.082","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503014","9.1844","0.0002","21.615","0.0005","11.5401","0.0002","90","","112.701","0.001","90","","2113.47","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7.5 N O15.75 U2 -","- C10 H2 N O15.75 U2 -","- C40 H8 N4 O63 U8 -","4","1","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0419","0.0296","","","0.0822","0.1028","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503015","13.198","0.002","14.852","0.002","23.407","0.004","90","","90","","90","","4588.2","1.2","293","","293","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C15 H3 N2 O35 U6 -","- C15 H3 N2 O35 U6 -","- C60 H12 N8 O140 U24 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71069","MoKα","","0.0634","0.0444","","","0.0733","0.0747","","","","","","2.94","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503016","55.631","0.002","7.1082","0.0003","13.1074","0.0005","90","","95.831","0.001","90","","5156.3","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H6 N6 O42 U3 -","- C30 H6 N6 O42 U3 -","- C120 H24 N24 O168 U12 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0396","0.0277","","","0.0309","0.0324","","","","","","1.31","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503017","5.5266","0.0003","7.6559","0.0003","11.3208","0.0004","100.846","0.002","100.44","0.002","96.94","0.002","456.66","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 O18 U3 -","- C10 H2 O18 U3 -","- C10 H2 O18 U3 -","1","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0238","0.0181","","","0.0366","0.0457","","","","","","1.142","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503018","12.8489","0.0002","12.7051","0.0002","9.9736","0.0001","90","","90","","90","","1628.16","0.04","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H8 O15 U2 -","- C10 H2 O15 U2 -","- C40 H8 O60 U8 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0231","0.0158","","","0.0348","0.0377","","","","","","1.087","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503019","33.291","0.007","24.518","0.005","16.748","0.004","90","","90","","90","","13670","5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C44 H30 O15 Zn4 -","- C44 H30 O15 Zn4 -","- C352 H240 O120 Zn32 -","8","1","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.1038","0.063","","","0.1632","0.1796","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503020","29.722","0.006","13.552","0.002","18.68","0.004","90","","124.54","0.006","90","","6198","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Mn3 O14 -","- C44 H30 Mn3 O14 -","- C176 H120 Mn12 O56 -","4","0.5","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.0679","0.0447","","","0.0858","0.0884","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503021","14.132","0.003","25.112","0.005","19.91","0.003","90","","121.51","0.01","90","","6024","2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H42 Cd3 N O18 -","- C47 H42 Cd3 N O18 -","- C188 H168 Cd12 N4 O72 -","4","1","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.0927","0.066","","","0.1795","0.1925","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503022","13.3185","0.0013","9.4298","0.0009","25.8321","0.0019","90","","116.342","0.004","90","","2907.4","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H52 Cd3 N4 O16 -","- C60 H52 Cd3 N4 O16 -","- C120 H104 Cd6 N8 O32 -","2","0.5","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.0506","0.0447","","","0.1174","0.1205","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503023","29.1269","0.0017","12.9184","0.0008","25.2889","0.0014","90","","103.408","0.001","90","","9256.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H76 Cd4 N8 O23 -","- C92 H76 Cd4 N8 O23 -","- C368 H304 Cd16 N32 O92 -","4","0.5","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.0784","0.0607","","","0.1715","0.1813","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503024","9.3167","0.0016","9.8122","0.0017","11.596","0.002","95.596","0.004","97.431","0.003","97.238","0.003","1035.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N O10 Zn1.5 -","- C14 H12 N O10 Zn1.5 -","- C28 H24 N2 O20 Zn3 -","2","1","","Nagarkar, Sanjog S.; Chaudhari, Abhijeet K.; Ghosh, Sujit K.","Role of Temperature on Framework Dimensionality: Supramolecular Isomers of Zn3(RCOO)8Based Metal Organic Frameworks","Crystal Growth & Design","2012","12","2","572","","10.1021/cg201630c","","","0.71073","MoKα","","0.0379","0.0347","","","0.1117","0.1171","","","","","","0.477","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503025","12.7693","0.001","12.7842","0.0009","14.7758","0.0011","85.019","0.002","65.87","0.001","89.613","0.002","2191.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O20 Zn3 -","- C28 H24 N2 O20 Zn3 -","- C56 H48 N4 O40 Zn6 -","2","1","","Nagarkar, Sanjog S.; Chaudhari, Abhijeet K.; Ghosh, Sujit K.","Role of Temperature on Framework Dimensionality: Supramolecular Isomers of Zn3(RCOO)8Based Metal Organic Frameworks","Crystal Growth & Design","2012","12","2","572","","10.1021/cg201630c","","","0.71073","MoKα","","0.0334","0.0312","","","0.094","0.0958","","","","","","1.059","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503026","9.426","0.005","15.424","0.005","17.359","0.005","90","","92.474","0.005","90","","2521.4","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O10 Zn1.5 -","- C14 H12 N O10 Zn1.5 -","- C56 H48 N4 O40 Zn6 -","4","1","","Nagarkar, Sanjog S.; Chaudhari, Abhijeet K.; Ghosh, Sujit K.","Role of Temperature on Framework Dimensionality: Supramolecular Isomers of Zn3(RCOO)8Based Metal Organic Frameworks","Crystal Growth & Design","2012","12","2","572","","10.1021/cg201630c","","","0.71069","MoKα","","0.1152","0.1038","","","0.3378","0.3523","","","","","","1.525","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503027","9.6637","0.0006","15.9623","0.0007","12.4881","0.0007","90","","114.047","0.002","90","","1759.17","0.17","110","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H23 Br N6 S3 -","- C7.794 H20.789 Br0.799 N6 S3 -","- C31.176 H83.156 Br3.196 N24 S12 -","4","1","","Palmer, Benjamin A.; Kariuki, Benson M.; Morte-Ródenas, Anabel; Harris, Kenneth D. M.","Structural Rationalization of the Phase Transition Behavior in a Solid Organic Inclusion Compound: Bromocyclohexane/Thiourea","Crystal Growth & Design","2012","12","2","577","","10.1021/cg201656y","","","0.71073","MoKα","","0.1074","0.0799","","","0.1959","0.2123","","","","","","1.121","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503028","35.547","0.007","12.551","0.003","27.19","0.005","90","","121.67","0.03","90","","10324","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H43 Cl3 F12 N4 -","- C53 H43 Cl3 F12 N4 -","- C424 H344 Cl24 F96 N32 -","8","1","","Javed, Iqbal; Zhou, Tianlei; Muhammad, Faheem; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Quinoacridine derivatives with one-dimensional aggregation-induced red emission property.","Langmuir : the ACS journal of surfaces and colloids","2012","28","2","1439","1446","10.1021/la202755z","","","0.71073","MoKα","","0.1145","0.0702","","","0.1924","0.2216","","","","","","1.036","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503029","26.401","0.002","3.9063","0.0003","21.6976","0.0015","90","","105.161","0.004","90","","2159.8","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","","Ghodbane, Abdelhamid; D'Altério, Sébastien; Saffon, Nathalie; McClenaghan, Nathan D.; Scarpantonio, Luca; Jolinat, Pascale; Fery-Forgues, Suzanne","Facile access to highly fluorescent nanofibers and microcrystals via reprecipitation of 2-phenyl-benzoxazole derivatives.","Langmuir : the ACS journal of surfaces and colloids","2012","28","1","855","863","10.1021/la2036554","","","0.71073","MoKα","","0.1427","0.0567","","","0.1058","0.1352","","","","","","0.993","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503030","17.7321","0.0019","4.9836","0.0005","12.4973","0.0013","90","","100.166","0.008","90","","1087","0.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Ghodbane, Abdelhamid; D'Altério, Sébastien; Saffon, Nathalie; McClenaghan, Nathan D.; Scarpantonio, Luca; Jolinat, Pascale; Fery-Forgues, Suzanne","Facile access to highly fluorescent nanofibers and microcrystals via reprecipitation of 2-phenyl-benzoxazole derivatives.","Langmuir : the ACS journal of surfaces and colloids","2012","28","1","855","863","10.1021/la2036554","","","0.71073","MoKα","","0.1576","0.0561","","","0.1164","0.161","","","","","","0.97","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4504476","11.5539","0.0005","7.5514","0.0003","19.2074","0.0012","90","","90","","90","","1675.81","0.14","120","2","120","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Mn O5 -","- C6 H10 Mn O5 -","- C48 H80 Mn8 O40 -","8","1","","Tan, Jin-Chong; Saines, Paul J.; Bithell, Erica G.; Cheetham, Anthony K.","Hybrid nanosheets of an inorganic-organic framework material: facile synthesis, structure, and elastic properties.","ACS nano","2012","6","1","615","621","10.1021/nn204054k","","x-ray","0.71073","MoKα","","0.0549","0.0393","","","0.13","0.1447","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505446","9.84","0.002","9.965","0.002","20.557","0.004","95.4","0.03","94.84","0.03","101.64","0.03","1954.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H23 Mn2 Mo9 Na4 O43.5 -","- Mn2 Mo9 Na4 O43.5 -","- Mn4 Mo18 Na8 O87 -","2","1","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.0563","0.046","","","0.1252","0.1311","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505447","11.17","0.002","16.386","0.003","18.95","0.004","90","","102.9","0.03","90","","3380.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H18 K Mn2 Mo9 Na3 O41 -","- K Mn2 Mo9 Na3 O41 -","- K4 Mn8 Mo36 Na12 O164 -","4","1","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.1091","0.0701","","","0.163","0.2085","","","","","","1.063","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505448","19.309","0.004","16.485","0.003","11.389","0.002","90","","105.89","0.03","90","","3486.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H24 Mn Mo9 Na2 Ni2 O44 -","- Mn Mo9 Na2 Ni2 O44 -","- Mn4 Mo36 Na8 Ni8 O176 -","4","0.5","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.1095","0.0785","","","0.1932","0.2132","","","","","","1.066","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505449","15.822","0.002","15.822","0.002","12.482","0.003","90","","90","","120","","2706.1","0.8","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- H26 Mn4 Mo9 O45 -","- Mn4 Mo9 O45 -","- Mn12 Mo27 O135 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.05","0.0489","","","0.1399","0.1409","","","","","","1.104","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505450","15.841","0.002","15.841","0.002","12.531","0.003","90","","90","","120","","2723.2","0.8","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- H26 Mn4 Mo9 O45 -","- Mn4 Mo9 O45 -","- Mn12 Mo27 O135 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.0464","0.0456","","","0.1318","0.1323","","","","","","1.141","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505451","15.706","0.002","15.706","0.002","12.462","0.003","90","","90","","120","","2662.3","0.8","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H23 Mn Mo9 Ni3 O43.5 -","- Mn Mo9 Ni3 O43.5 -","- Mn3 Mo27 Ni9 O130.5 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.1002","0.0722","","","0.1753","0.194","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505452","9.046","0.002","4.8948","0.0012","69.909","0.017","90","","90","","90","","3095.5","1.3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H59 N O3 -","- C30 H59 N O3 -","- C120 H236 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1271","0.0597","","","0.1166","0.1445","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505453","68.592","0.004","4.8795","0.0003","8.778","0.0006","90","","92.262","0.001","90","","2935.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H59 N O3 -","- C30 H59 N O3 -","- C120 H236 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.0771","0.0627","","","0.1604","0.169","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505454","9.087","0.005","4.925","0.003","74.87","0.04","90","","90","","90","","3351","3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1852","0.1085","","","0.2216","0.263","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505455","74.26","0.03","4.913","0.002","9.069","0.004","90","","92.577","0.007","90","","3305","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1829","0.1464","","","0.2789","0.2994","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505456","64.921","0.007","4.8832","0.0005","9.0299","0.0009","90","","90.679","0.002","90","","2862.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H53 N O3 -","- C27 H53 N O3 -","- C108 H212 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1689","0.0883","","","0.2465","0.3016","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505457","69.079","0.011","4.8901","0.0008","8.9962","0.0014","90","","91.818","0.003","90","","3037.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H57 N O3 -","- C29 H57 N O3 -","- C116 H228 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.2477","0.1143","","","0.275","0.3465","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505458","8.7611","0.001","4.8641","0.0005","68.422","0.007","90","","90","","90","","2915.8","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-palmitoyl, O-lauroylethanolamine at100K","","","- C30 H59 N O3 -","- C30 H59 N O3 -","- C120 H236 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.0719","0.0661","","","0.1057","0.1071","","","","","","1.718","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505459","8.8445","0.0015","4.8785","0.0008","73","0.012","90","","90","","90","","3149.8","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-palmitoyl, O-myristoylethanolamine","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.0852","0.0713","","","0.1529","0.1585","","","","","","1.427","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505460","15.991","0.01","15.206","0.01","9.272","0.006","90","","115.343","0.007","90","","2038","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu Eu N8 O8 -","- C16 H16 Cu Eu N8 O8 -","- C64 H64 Cu4 Eu4 N32 O32 -","4","0.5","","Liang, Li; Peng, Guo; Ma, Li; Sun, Lin; Deng, Hong; Li, Hong; Li, Weishan","A New Family of 3d‒4f Heterometallic Tetrazole-based Coordination Frameworks: In SituTetrazole Ligand Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1151","1158","10.1021/cg200856e","","","0.71073","MoKα","","0.0233","0.0216","","","0.0521","0.0528","","","","","","1.001","","","","has coordinates","180553","2020-10-21","18:00:00",""
"4505461","16.0425","0.0019","15.16","0.0018","9.2883","0.0011","90","","115.389","0.001","90","","2040.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu Gd N8 O8 -","- C16 H16 Cu Gd N8 O8 -","- C64 H64 Cu4 Gd4 N32 O32 -","4","0.5","","Liang, Li; Peng, Guo; Ma, Li; Sun, Lin; Deng, Hong; Li, Hong; Li, Weishan","A New Family of 3d‒4f Heterometallic Tetrazole-based Coordination Frameworks: In SituTetrazole Ligand Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1151","1158","10.1021/cg200856e","","","0.71073","MoKα","","0.0273","0.026","","","0.0685","0.0691","","","","","","1.066","","","","has coordinates","180553","2020-10-21","18:00:00",""
"4505462","16.033","0.003","15.155","0.002","9.2818","0.0015","90","","115.391","0.002","90","","2037.4","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu N8 O8 Tb -","- C16 H16 Cu N8 O8 Tb -","- C64 H64 Cu4 N32 O32 Tb4 -","4","0.5","","Liang, Li; Peng, Guo; Ma, Li; Sun, Lin; Deng, Hong; Li, Hong; Li, Weishan","A New Family of 3d‒4f Heterometallic Tetrazole-based Coordination Frameworks: In SituTetrazole Ligand Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1151","1158","10.1021/cg200856e","","","0.71073","MoKα","","0.0232","0.0218","","","0.055","0.0556","","","","","","1.023","","","","has coordinates","180553","2020-10-21","18:00:00",""
"4505463","16.0231","0.0017","15.1138","0.0016","9.2701","0.001","90","","115.484","0.001","90","","2026.5","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu Dy N8 O8 -","- C16 H16 Cu Dy N8 O8 -","- C64 H64 Cu4 Dy4 N32 O32 -","4","0.5","","Liang, Li; Peng, Guo; Ma, Li; Sun, Lin; Deng, Hong; Li, Hong; Li, Weishan","A New Family of 3d‒4f Heterometallic Tetrazole-based Coordination Frameworks: In SituTetrazole Ligand Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1151","1158","10.1021/cg200856e","","","0.71073","MoKα","","0.0249","0.0236","","","0.0616","0.0622","","","","","","1.007","","","","has coordinates","180553","2020-10-21","18:00:00",""
"4505464","8.7588","0.0007","26.607","0.002","14.4393","0.0009","90","","119.085","0.003","90","","2940.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cu2 N7 O14 -","- C23 H19 Cu2 N7 O14 -","- C92 H76 Cu8 N28 O56 -","4","1","","Yang, En-Cui; Ding, Bo; Liu, Zhong-Yi; Yang, You-Li; Zhao, Xiao-Jun","Structural Transformation from a Discrete CuII4Cluster to Two Extended CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the Spacer Functionality: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1185","","10.1021/cg2011666","","","0.71073","MoKα","","0.0433","0.0354","","","0.0889","0.0934","","","","","","1.06","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505465","8.0427","0.0005","8.9697","0.0006","10.7156","0.0007","91.271","0.001","96.337","0.001","93.699","0.001","766.37","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25.2 Cu5 N6 O20.6 -","- C22 H24 Cu5 N6 O20.6 -","- C22 H24 Cu5 N6 O20.6 -","1","0.5","","Yang, En-Cui; Ding, Bo; Liu, Zhong-Yi; Yang, You-Li; Zhao, Xiao-Jun","Structural Transformation from a Discrete CuII4Cluster to Two Extended CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the Spacer Functionality: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1185","","10.1021/cg2011666","","","0.71073","MoKα","","0.0304","0.0293","","","0.0736","0.0743","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505466","26.685","0.002","7.4317","0.0006","15.7589","0.0012","90","","108.978","0.001","90","","2955.3","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8.13 Cu2.5 N3 O10.06 -","- C12 H8 Cu2.5 N3 O10.065 -","- C96 H64 Cu20 N24 O80.52 -","8","1","","Yang, En-Cui; Ding, Bo; Liu, Zhong-Yi; Yang, You-Li; Zhao, Xiao-Jun","Structural Transformation from a Discrete CuII4Cluster to Two Extended CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the Spacer Functionality: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1185","","10.1021/cg2011666","","","0.71073","MoKα","","0.0324","0.0235","","","0.0656","0.0829","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505467","10.293","0.002","10.613","0.002","12.534","0.003","112.94","0.03","97.04","0.03","105.01","0.03","1178.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N6 O4 Zn -","- C24 H24 N6 O4 Zn -","- C48 H48 N12 O8 Zn2 -","2","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.0846","0.0744","","","0.202","0.2104","","","","","","1.123","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505468","9.2779","0.0019","12.14","0.002","13.159","0.003","104.26","0.03","110.35","0.03","107.4","0.03","1220.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N6 O6 Zn -","- C24 H28 N6 O6 Zn -","- C48 H56 N12 O12 Zn2 -","2","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.0683","0.058","","","0.1563","0.1667","","","","","","1.106","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505469","16.481","0.003","17.086","0.003","10.267","0.002","90","","90","","90","","2891.1","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C56 H74 N12 O11 Zn2 -","- C56 H74 N12 O11 Zn2 -","- C112 H148 N24 O22 Zn4 -","2","0.25","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.1061","0.0841","","","0.2007","0.2165","","","","","","1.176","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505470","9.186","0.0018","11.92","0.002","14.21","0.003","72.69","0.03","85.48","0.03","77.25","0.03","1448.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N6 O4 Zn -","- C30 H38 N6 O4 Zn -","- C60 H76 N12 O8 Zn2 -","2","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.06","0.0483","","","0.1087","0.1156","","","","","","1.102","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505471","21.598","0.004","19.922","0.004","24.788","0.005","90","","98.6","0.03","90","","10546","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 N9 O13 Zn2 -","- C52 H52 N9 O13 Zn2 -","- C416 H416 N72 O104 Zn16 -","8","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.0777","0.0685","","","0.1775","0.1834","","","","","","1.167","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505472","9.4971","0.0019","11.355","0.002","14.608","0.003","101.75","0.03","92.08","0.03","101.96","0.03","1503.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N6 O9 Zn -","- C33 H28 N6 O9 Zn -","- C66 H56 N12 O18 Zn2 -","2","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.0588","0.0517","","","0.1221","0.1271","","","","","","1.106","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505473","7.485","0.003","31.617","0.013","5.169","0.002","90","","106.19","0.02","90","","1174.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cu N O5 -","- C14 H10 Cu N O5 -","- C56 H40 Cu4 N4 O20 -","4","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0492","0.0409","","","0.0969","0.1004","","","","","","1.149","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505474","7.5343","0.0015","15.432","0.003","16.814","0.003","116.35","0.03","92.04","0.03","90.63","0.03","1749.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Cu2 N4 O12 -","- C38 H32 Cu2 N4 O12 -","- C76 H64 Cu4 N8 O24 -","2","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71073","MoKα","","0.0526","0.0362","","","0.0885","0.0956","","","","","","1.004","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505475","9.7351","0.001","23.513","0.003","6.506","0.0008","90","","107.709","0.007","90","","1418.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co2 N2 O14 -","- C28 H28 Co2 N2 O14 -","- C56 H56 Co4 N4 O28 -","2","0.5","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.069","0.0463","","","0.0866","0.0933","","","","","","1.14","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505476","29.703","0.004","5.1857","0.0007","19.504","0.003","90","","109.106","0.004","90","","2838.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Co N O7 -","- C14 H14 Co N O7 -","- C112 H112 Co8 N8 O56 -","8","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0455","0.0413","","","0.081","0.0828","","","","","","1.125","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505477","11.45","0.002","14.17","0.003","15.695","0.003","90","","110.06","0.03","90","","2392","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Co N3 O5.5 -","- C24 H19 Co N3 O5.5 -","- C96 H76 Co4 N12 O22 -","4","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71073","MoKα","","0.1078","0.0825","","","0.2092","0.229","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505478","6.587","0.0013","9.866","0.002","11.756","0.002","97.88","0.03","105.16","0.03","102.98","0.03","702.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni2 O14 -","- C28 H28 N2 Ni2 O14 -","- C28 H28 N2 Ni2 O14 -","1","0.5","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71073","MoKα","","0.0706","0.0453","","","0.0897","0.0965","","","","","","0.975","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505479","11.37","0.002","14.137","0.003","15.113","0.003","90","","107.63","0.03","90","","2315.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N3 Ni O7 -","- C24 H22 N3 Ni O7 -","- C96 H88 N12 Ni4 O28 -","4","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71073","MoKα","","0.0957","0.0718","","","0.158","0.1712","","","","","","1.046","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505480","29.479","0.003","5.1262","0.0005","19.357","0.0017","90","","109.018","0.003","90","","2765.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N O7 Zn -","- C14 H14 N O7 Zn -","- C112 H112 N8 O56 Zn8 -","8","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0411","0.0366","","","0.0893","0.0922","","","","","","1.103","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505481","5.204","0.0011","9.634","0.002","9.777","0.002","90","","91.737","0.004","90","","489.95","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 Mn O6 -","- C9 H8 Mn O6 -","- C18 H16 Mn2 O12 -","2","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0183","0.0179","","","0.0439","0.0441","","","","","","1.131","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505482","2.815","0.0003","2.815","0.0003","14.0516","0.0006","90","","90","","120","","96.43","0.015","298","2","298","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Co Li O2 -","- Co Li O2 -","- Co3 Li3 O6 -","3","0.0833333","","Lin, Qiyin; Li, Qing’an; Gray, Kenneth E.; Mitchell, John F.","Vapor Growth and Chemical Delithiation of Stoichiometric LiCoO2Crystals","Crystal Growth & Design","2012","12","3","1232","","10.1021/cg201238n","","","0.71073","MoKα","","0.019","0.019","","","0.0487","0.0487","","","","","","1.353","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505483","8.0435","0.0006","17.401","0.0018","17.9545","0.0014","90","","110.689","0.006","90","","2350.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Co I N4 O7 -","- C18 H23 Co I N4 O7 -","- C72 H92 Co4 I4 N16 O28 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","1.54178","CuKα","","0.0802","0.0604","","","0.144","0.1584","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505484","15.131","0.004","19.269","0.01","18.433","0.006","90","","108.89","0.03","90","","5085","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Co2 I2 N8 O14 -","- C42 H52 Co2 I2 N8 O14 -","- C168 H208 Co8 I8 N32 O56 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","0.71073","MoKα","","0.1015","0.0538","","","0.1082","0.126","","","","","","0.986","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505485","10.2864","0.0004","24.1852","0.0019","9.8258","0.0005","90","","99.757","0.005","90","","2409.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Co I N5 O5 -","- C21 H24 Co I N5 O5 -","- C84 H96 Co4 I4 N20 O20 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","0.71073","MoKα","","0.0803","0.0513","","","0.0983","0.109","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505486","24.7094","0.0017","19.5965","0.001","11.1511","0.0006","90","","90","","90","","5399.6","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H52 Co2 I2 N10 O10 -","- C44 H52 Co2 I2 N10 O10 -","- C176 H208 Co8 I8 N40 O40 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","0.71073","MoKα","","0.094","0.0673","","","0.1596","0.1779","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505487","17.545","0.003","24.189","0.004","24.659","0.004","90","","104.053","0.003","90","","10152","3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H161 Cu5 Gd2 K N28 O173 Si4 W44 -","- C28 H112 Cu5 Gd2 K N28 O173 Si4 W44 -","- C56 H224 Cu10 Gd4 K2 N56 O346 Si8 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.069","0.0425","","","0.0926","0.101","","","","","","0.989","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505488","17.569","0.003","24.235","0.004","24.673","0.004","90","","103.939","0.004","90","","10196","3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H161 Cu5 K N28 O173 Si4 Tb2 W44 -","- C28 H112 Cu5 K N28 O173 Si4 Tb2 W44 -","- C56 H224 Cu10 K2 N56 O346 Si8 Tb4 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0692","0.043","","","0.0973","0.1051","","","","","","1.007","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505489","17.5614","0.0014","24.208","0.002","24.557","0.002","90","","104.132","0.001","90","","10123.9","1.4","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H167 Cu5 Dy2 K N32 O168 Si4 W44 -","- C32 H128 Cu5 Dy2 K N32 O168 Si4 W44 -","- C64 H256 Cu10 Dy4 K2 N64 O336 Si8 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0871","0.0615","","","0.1467","0.1576","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505490","17.5312","0.0016","24.212","0.002","24.75","0.002","90","","103.919","0.002","90","","10197","1.5","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H161 Cu5 Er2 K N28 O173 Si4 W44 -","- C28 H112 Cu5 Er2 K N28 O173 Si4 W44 -","- C56 H224 Cu10 Er4 K2 N56 O346 Si8 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0567","0.0349","","","0.0755","0.0813","","","","","","1.016","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505491","17.51","0.003","24.175","0.004","24.658","0.004","90","","103.817","0.003","90","","10136","3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H161 Cu5 K Lu2 N28 O173 Si4 W44 -","- C28 H112 Cu5 K Lu2 N28 O173 Si4 W44 -","- C56 H224 Cu10 K2 Lu4 N56 O346 Si8 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0635","0.0413","","","0.0933","0.1008","","","","","","1.003","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505492","16.6434","0.0009","13.6944","0.0007","21.8679","0.0011","90","","107.091","0.001","90","","4764.1","0.4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C7 H36 Cu1.5 La N7 O42 Si W11 -","- C7 H28 Cu1.5 La N7 O42 Si W11 -","- C28 H112 Cu6 La4 N28 O168 Si4 W44 -","4","1","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0485","0.0351","","","0.0737","0.0776","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505493","16.6217","0.0012","13.667","0.001","21.8926","0.0015","90","","106.995","0.001","90","","4756.1","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C7 H34 Ce Cu1.5 N7 O41 Si W11 -","- C7 H28 Ce Cu1.5 N7 O41 Si W11 -","- C28 H112 Ce4 Cu6 N28 O164 Si4 W44 -","4","1","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0561","0.0372","","","0.0819","0.0871","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505494","21.816","0.012","11.667","0.007","39.2","0.02","90","","101.698","0.01","90","","9770","9","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H85 Cu3 N16 O85 Pr Si2 W22 -","- C16 H68 Cu3 N16 O85 Pr Si2 W22 -","- C64 H272 Cu12 N64 O340 Pr4 Si8 W88 -","4","1","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.068","0.0455","","","0.092","0.0992","","","","","","1.042","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505495","22.247","0.0007","11.7997","0.0004","39.9452","0.0013","90","","102.201","0.001","90","","10249.1","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H91 Cu4 N18 O85 Si2 Sm W22 -","- C18 H72 Cu4 N18 O85 Si2 Sm W22 -","- C72 H288 Cu16 N72 O340 Si8 Sm4 W88 -","4","1","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0651","0.0437","","","0.0971","0.1042","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505496","14.2938","0.0027","14.8561","0.0028","23.1087","0.0044","92.7867","0.0023","91.5679","0.0023","109.889","0.0021","4604","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H35 Cu8 N40 O41 Si W12 -","- C48 H32 Cu8 N40 O41 Si W12 -","- C96 H64 Cu16 N80 O82 Si2 W24 -","2","1","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.176","0.0843","","","0.1977","0.2395","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505497","24.001","0.0012","17.455","0.0018","11.676","0.003","90","0.0013","105.096","0.0014","90","0.0013","4722.7","1.3","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C48 H32 Cl3 Cu12 N40 O40 P W12 -","- C48 H32 Cl3 Cu12 N40 O40 P W12 -","- C96 H64 Cl6 Cu24 N80 O80 P2 W24 -","2","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.0578","0.0453","","","0.1336","0.1463","","","","","","0.992","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505498","11.385","0.0004","12.392","0.0004","15.054","0.0003","99.216","0.002","95.468","0.002","110.979","0.003","1930.45","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H33 Cu6 N30 O45 P W12 -","- C36 H24 Cu6 N30 O45 P W12 -","- C36 H24 Cu6 N30 O45 P W12 -","1","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.0467","0.0363","","","0.1087","0.1131","","","","","","0.832","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505499","11.9372","0.001","13.8906","0.0011","14.1593","0.0011","99.594","0.0011","91.408","0.001","111.358","0.0009","2146.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H38 Cu7 N30 O48 Si W12 -","- C36 H24 Cu7 N30 O48 Si W12 -","- C36 H24 Cu7 N30 O48 Si W12 -","1","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71073","MoKα","","0.0762","0.0605","","","0.1563","0.1749","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505500","11.841","0.002","13.837","0.003","14.269","0.003","99.426","0.003","91.965","0.003","110.705","0.002","2146.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 Cu7 Mo12 N30 O48 P -","- C36 H24 Cu7 Mo12 N30 O48 P -","- C36 H24 Cu7 Mo12 N30 O48 P -","1","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.0831","0.0654","","","0.1958","0.2134","","","","","","1.016","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505501","12.17","0.002","13.601","0.003","17.4","0.004","90","","90","","90","","2880.1","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Mn3 N10 O18 -","- C16 H28 Mn3 N10 O18 -","- C64 H112 Mn12 N40 O72 -","4","0.5","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.0531","0.0514","","","0.139","0.1407","","","","","","1.093","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505502","12.5879","0.0018","12.5879","0.0018","25.09","0.005","90","","90","","90","","3975.6","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C8 H12 Co1.5 N5 O8 -","- C8 H4 Co1.5 N5 O8 -","- C64 H32 Co12 N40 O64 -","8","1","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.0662","0.0658","","","0.2021","0.2025","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505503","11.271","0.002","15.663","0.003","12.609","0.003","90","","104.43","0.03","90","","2155.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu3 N10 O10 -","- C16 H8 Cu3 N10 O10 -","- C64 H32 Cu12 N40 O40 -","4","1","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.1152","0.0851","","","0.2104","0.2353","","","","","","1.053","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505504","7.9459","0.0016","10.56","0.002","11.698","0.002","90","","105.25","0.03","90","","947","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cd N5 O4 -","- C8 H5 Cd N5 O4 -","- C32 H20 Cd4 N20 O16 -","4","1","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.0253","0.0234","","","0.0604","0.0621","","","","","","1.071","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505505","13.9491","0.0007","18.6397","0.0007","16.798","0.0014","90","","101.633","0.007","90","","4277.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co N6 Na O10 -","- C44 H42 Co N6 Na O10 -","- C176 H168 Co4 N24 Na4 O40 -","4","1","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.1025","0.0681","","","0.1811","0.1976","","","","","","0.99","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505506","25.186","0.0017","25.186","0.0017","33.184","0.003","90","","90","","120","","18230","2","120","2","120","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H29 Co N6 O13 -","- C42 H29 Co N6 O13 -","- C756 H522 Co18 N108 O234 -","18","0.5","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0845","0.0806","","","0.2024","0.2052","","","","","","1.273","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505507","13.948","0.005","13.948","0.005","13.771","0.005","90","","90","","90","","2679.1","1.7","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C38 H29 Co N6 O9 -","- C38 H26 Co N6 O9 -","- C76 H52 Co2 N12 O18 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0684","0.0515","","","0.1281","0.135","","","","","","1.002","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505508","10.039","0.004","15.446","0.005","14.872","0.005","90","","90","","90","","2306.1","1.4","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C38 H29 Co N6 O9 -","- C38 H26 Co N6 O9 -","- C76 H52 Co2 N12 O18 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.1239","0.112","","","0.2871","0.3059","","","","","","1.11","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505509","10.3708","0.0003","15.3526","0.0005","15.0072","0.0006","90","","90","","90","","2389.43","0.14","150","2","150","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C38 H29 Co N6 O13 -","- C38 H26 Co N6 O13 -","- C76 H52 Co2 N12 O26 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0978","0.0783","","","0.2198","0.2277","","","","","","1.026","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505510","13.4135","0.0009","13.7731","0.0009","15.5462","0.001","66.502","0.002","68.836","0.002","71.676","0.003","2407","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.75 H59 Ag3 N6.25 O12.75 S6 -","- C36.75 H55 Ag3 N6.25 O12.75 S6 -","- C73.5 H110 Ag6 N12.5 O25.5 S12 -","2","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0363","0.0341","","","0.1122","0.1142","","","","","","1.051","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505511","16.642","0.004","17.785","0.004","32.181","0.01","96.826","0.017","95.146","0.018","108.17","0.012","8904","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H136 Ag8 Cl8 N8 O32 S16 -","- C96 H136 Ag8 Cl8 N8 O32 S16 -","- C192 H272 Ag16 Cl16 N16 O64 S32 -","2","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0816","0.063","","","0.1945","0.2048","","","","","","1.221","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505512","7.7864","0.0007","18.8075","0.0017","28.265","0.003","90","","94.465","0.004","90","","4126.6","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Ag2 Cl5 N4 O8 S4 -","- C29 H41 Ag2 Cl5 N4 O8 S4 -","- C116 H164 Ag8 Cl20 N16 O32 S16 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0531","0.0431","","","0.0961","0.1035","","","","","","1.123","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505513","30.3","0.003","7.6201","0.0007","16.7339","0.0016","90","","101.458","0.003","90","","3786.7","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 Ag Cl3 N O4 S2 -","- C13 H19 Ag Cl3 N O4 S2 -","- C104 H152 Ag8 Cl24 N8 O32 S16 -","8","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0686","0.0434","","","0.1089","0.1309","","","","","","1.058","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505514","10.3356","0.0004","14.5288","0.0006","31.326","0.0012","90","","91.665","0.001","90","","4702","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 Ag3 Cl3 N3 O12 S6 -","- C36 H51 Ag3 Cl3 N3 O12 S6 -","- C144 H204 Ag12 Cl12 N12 O48 S24 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0571","0.0375","","","0.0937","0.1076","","","","","","1.075","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505515","20.8068","0.001","18.5339","0.001","21.7427","0.0011","90","","111.607","0.003","90","","7795.5","0.7","172","2","172","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H89 Ag4 Cl4 N7 O19 S8 -","- C57 H89 Ag4 Cl4 N7 O19 S8 -","- C228 H356 Ag16 Cl16 N28 O76 S32 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0922","0.0445","","","0.0957","0.1388","","","","","","1.062","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505516","14.7445","0.0013","7.5614","0.0007","13.7777","0.0012","90","","111.807","0.002","90","","1426.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O3 S2 -","- C12 H18 N2 O3 S2 -","- C48 H72 N8 O12 S8 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0476","0.0407","","","0.1029","0.1096","","","","","","1.052","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505517","5.3199","0.0005","16.8338","0.0016","13.4036","0.0012","90","","94.041","0.002","90","","1197.36","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N S2 -","- C12 H17 N S2 -","- C48 H68 N4 S8 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0671","0.0392","","","0.0901","0.1026","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505518","8.6849","0.0006","5.6723","0.0004","12.7991","0.0009","90","","105.937","0.001","90","","606.29","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 N S2 -","- C12 H17 N S2 -","- C24 H34 N2 S4 -","2","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0422","0.0419","","","0.1109","0.1111","","","","","","1.134","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505519","19.239","0.004","16.373","0.003","9.3961","0.0019","90","","102.68","0.03","90","","2887.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Eu1","","","- C28 H23 Eu2 N O15 -","- C28 H23 Eu2 N O15 -","- C112 H92 Eu8 N4 O60 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0561","0.0436","","","0.0932","0.0968","","","","","","1.197","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505520","19.094","0.004","15.375","0.003","18.899","0.004","90","","117.1","0.03","90","","4939","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Eu2","","","- C21 H21 Eu N O9 -","- C21 H21 Eu N O9 -","- C168 H168 Eu8 N8 O72 -","8","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0475","0.0357","","","0.0943","0.1018","","","","","","1.057","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505521","19.117","0.004","15.511","0.003","18.916","0.004","90","","116.72","0.03","90","","5010","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pr3","","","- C21 H21 N O9 Pr -","- C21 H21 N O9 Pr -","- C168 H168 N8 O72 Pr8 -","8","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0323","0.0299","","","0.0942","0.0954","","","","","","1.082","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505522","19.0944","0.0008","15.4582","0.0004","18.8603","0.001","90","","116.906","0.002","90","","4964.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N Nd O9 -","- C21 H21 N Nd O9 -","- C168 H168 N8 Nd8 O72 -","8","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0631","0.0379","","","0.0994","0.1032","","","","","","0.912","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505523","11.803","0.002","12.148","0.002","16.464","0.003","90","","92.07","0.03","90","","2359.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Eu5","","","- C20 H22 Eu N3 O9 -","- C20 H22 Eu N3 O9 -","- C80 H88 Eu4 N12 O36 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0601","0.0399","","","0.0984","0.1077","","","","","","1.033","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505524","11.8455","0.0003","12.1329","0.0003","16.4482","0.0004","90","","91.892","0.002","90","","2362.65","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N3 Nd O9 -","- C20 H22 N3 Nd O9 -","- C80 H88 N12 Nd4 O36 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0712","0.0464","","","0.1336","0.1431","","","","","","0.977","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505525","11.741","0.002","12.136","0.002","16.414","0.003","90","","91.92","0.03","90","","2337.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Gd N3 O9 -","- C20 H22 Gd N3 O9 -","- C80 H88 Gd4 N12 O36 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0454","0.0359","","","0.079","0.0843","","","","","","0.873","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505526","9.2634","0.0019","9.4204","0.0019","15.549","0.003","83.92","0.03","75","0.03","74.13","0.03","1259.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 Eu O9 -","- C28 H19 Eu O9 -","- C56 H38 Eu2 O18 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0455","0.0394","","","0.101","0.1091","","","","","","1.056","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505527","14.9066","0.0005","20.4267","0.0008","21.8526","0.0009","90","","90","","90","","6654","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H104 N2 O47 -","- C46 H102 N2 O47 -","- C184 H408 N8 O188 -","4","1","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","0.7107","MoKα","","0.0601","0.0585","","","0.1428","0.1472","","","","","","1.185","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505528","12.966","0.01","19.274","0.014","28.12","0.02","90","","90","","90","","7027","9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H106 N2 O48 -","- C46 H78 N2 O48 -","- C184 H312 N8 O192 -","4","1","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","0.7107","MoKα","","0.1211","0.1062","","","0.3001","0.3203","","","","","","1.213","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505529","15.274","0.012","10.178","0.008","20.961","0.016","90","","110.251","0.007","90","","3057","4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H46 O22 -","- C23 H39 O22 -","- C92 H156 O88 -","4","2","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505530","15.309","0.003","15.799","0.003","16.424","0.003","90","","117.56","0.03","90","","3521.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H54 N8 O18 Zn5 -","- C76 H54 N8 O18 Zn5 -","- C152 H108 N16 O36 Zn10 -","2","0.5","","He, Kun-Huan; Song, Wei-Chao; Li, Yun-Wu; Chen, Yong-Qiang; Bu, Xian-He","A New 10-Connected Coordination Network with Pentanuclear Zinc Clusters as Secondary Building Units","Crystal Growth & Design","2012","12","3","1064","","10.1021/cg2014495","","","0.71073","MoKα","","0.0748","0.0494","","","0.086","0.0937","","","","","","1.077","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505531","10.472","0.0003","10.561","0.0003","11.059","0.0004","96.271","0.002","114.843","0.002","115.244","0.001","939.88","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H26 Cu Mg N O13 -","- C11 H26 Cu Mg N O13 -","- C22 H52 Cu2 Mg2 N2 O26 -","2","1","","Kirillov, Alexander M.; Karabach, Yauhen Y.; Kirillova, Marina V.; Haukka, Matti; Pombeiro, Armando J. L.","Topologically Unique 2D Heterometallic CuII/Mg Coordination Polymer: Synthesis, Structural Features, and Catalytic Use in Alkane Hydrocarboxylation","Crystal Growth & Design","2012","12","3","1069","","10.1021/cg201459k","","","0.71073","MoKα","","0.0509","0.0408","","","0.1003","0.1062","","","","","","1.022","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505532","13.087","0.002","15.579","0.003","3.8629","0.0006","90","","90","","90","","787.6","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.113","0.0786","","","0.1934","0.2118","","","","","","0.972","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505533","24.3301","0.0014","3.7707","0.0002","8.485","0.0005","90","","90","","90","","778.43","0.08","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline form II","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.0569","0.0416","","","0.0976","0.1035","","","","","","0.955","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505534","4.4605","0.0003","15.3207","0.0009","13.0529","0.0007","90","","97.511","0.002","90","","884.36","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Theophylline Monohydrate","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.0624","0.0487","","","0.1281","0.135","","","","","","1.133","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505535","4.4159","0.0003","15.1675","0.0009","12.9224","0.0007","90","","97.511","0.002","90","","858.09","0.09","20","2","20","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.1372","0.1326","","","0.3703","0.3712","","","","","","1.192","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505536","63.515","0.005","63.515","0.005","63.515","0.005","90","","90","","90","","256229","3","225","","225","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 Cu O4 -","- C24 H12 Cu O4 -","- C2304 H1152 Cu96 O384 -","96","0.5","","Eryazici, Ibrahim; Farha, Omar K.; Hauser, Brad G.; Yazaydın, A. Özgür; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T.","Two Large-Pore Metal‒Organic Frameworks Derived from a Single Polytopic Strut","Crystal Growth & Design","2012","12","3","1075","","10.1021/cg201520z","","","1.54184","CuKα","","0.1091","0.0727","","","0.1895","0.2013","","","","","","0.862","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4505537","24.527","0.001","24.527","0.001","71.355","0.004","90","","90","","120","","37174","3","225.01","","225.01","","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C144 H72 O26 Zn8 -","- C141 H69 O26 Zn8 -","- C423 H207 O78 Zn24 -","3","","","Eryazici, Ibrahim; Farha, Omar K.; Hauser, Brad G.; Yazaydın, A. Özgür; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T.","Two Large-Pore Metal‒Organic Frameworks Derived from a Single Polytopic Strut","Crystal Growth & Design","2012","12","3","1075","","10.1021/cg201520z","","","1.54184","CuKα","","0.1031","0.0695","","","0.1834","0.196","","","","","","0.841","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505538","5.9663","0.0006","25.007","0.003","18.1843","0.0015","90","","95.154","0.003","90","","2702.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 S4 -","- C31 H33 S4 -","- C124 H132 S16 -","4","1","","Leitch, Alicea A.; Mansour, Aya; Stobo, Kimberly A.; Korobkov, Ilia; Brusso, Jaclyn L.","Functionalized Tetrathienoanthracene: Enhancing π‒π Interactions Through Expansion of the π-Conjugated Framework","Crystal Growth & Design","2012","12","3","1416","","10.1021/cg201521w","","","0.71073","MoKα","","0.0807","0.0494","","","0.1217","0.1419","","","","","","1.009","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505539","13.9674","0.0006","3.9096","0.0002","19.9845","0.0009","90","","106.906","0.003","90","","1044.13","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 Br4 S4 -","- C22 H6 Br4 S4 -","- C44 H12 Br8 S8 -","2","0.5","","Leitch, Alicea A.; Mansour, Aya; Stobo, Kimberly A.; Korobkov, Ilia; Brusso, Jaclyn L.","Functionalized Tetrathienoanthracene: Enhancing π‒π Interactions Through Expansion of the π-Conjugated Framework","Crystal Growth & Design","2012","12","3","1416","","10.1021/cg201521w","","","0.71073","MoKα","","0.0587","0.0474","","","0.127","0.1325","","","","","","1.055","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505540","14.2834","0.0006","11.3575","0.0002","15.1707","0.0007","90","","99.733","0.0015","90","","2425.62","0.16","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 B F5 N6 O -","- C30 H12 B F5 N6 O -","- C120 H48 B4 F20 N24 O4 -","4","1","","Castrucci, Jeffrey S.; Helander, Michael G.; Morse, Graham E.; Lu, Zheng-Hong; Yip, Christopher M.; Bender, Timothy P.","Charge Carrier Mobility in Fluorinated Phenoxy Boron Subphthalocyanines: Role of Solid State Packing","Crystal Growth & Design","2012","12","3","1095","","10.1021/cg2015385","","","0.71073","MoKα","","0.1134","0.054","","","0.1164","0.145","","","","","","1.037","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505541","10.7704","0.001","11.746","0.001","22.3","0.002","97.571","0.001","92.149","0.001","91.563","0.001","2793.1","0.4","188","2","188","2","","","","","","","","6","P -1","-P 1","2","Barium iron(4) dioxo di-HPDTA diacetate","","","- C52 H64 Ba4 Fe8 N8 O71 -","- C52 H64 Ba4 Fe8 N8 O71.5 -","- C52 H64 Ba4 Fe8 N8 O71.5 -","1","0.5","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1314","0.0883","","","0.2546","0.29","","","","","","1.058","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505542","27.249","0.005","19.289","0.004","19.362","0.004","90","","97.799","0.004","90","","10083","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C104 H108 Eu4 Fe16 N16 O138 -","- C104 H112 Eu4 Fe16 N16 O138 -","- C208 H224 Eu8 Fe32 N32 O276 -","2","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1703","0.1029","","","0.3125","0.3533","","","","","","1.091","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505543","10.7849","0.0013","11.911","0.0014","21.4","0.003","80.007","0.001","86.927","0.001","89.284","0.001","2703.4","0.6","188","2","188","2","","","","","","","","6","P -1","-P 1","2","lithium iron(4) di-HPDTA diacetate","","","- C52 H68 Fe8 Li4 N8 O76 -","- C52 H68 Fe8 Li4 N8 O76 -","- C52 H68 Fe8 Li4 N8 O76 -","1","0.5","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1281","0.0852","","","0.2767","0.3098","","","","","","1.099","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505544","11.043","0.0009","20.5133","0.0016","11.2959","0.0009","90","","98.551","0.001","90","","2530.4","0.3","188","2","188","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","sodium magnesium iron(4) di-HPDTA diacetate","","","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.0817","0.0737","","","0.2401","0.2494","","","","","","1.054","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505545","21.074","0.003","11.1217","0.0014","21.507","0.003","90","","99.44","0.003","90","","4972.5","1.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","lanthanum iron(4) dioxo di-HPDTA diacetate","","","- C26 H33 Fe4 La N4 O36 -","- C26 H33 Fe4 La N4 O36 -","- C104 H132 Fe16 La4 N16 O144 -","4","1","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.41228","synchrotron","","0.1114","0.0821","","","0.2154","0.2343","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505546","11.0473","0.0011","20.418","0.002","11.7437","0.0012","90","","100.614","0.001","90","","2603.6","0.5","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","sodium iron(4) dioxo di-HPDTA diacetate","","","- C52 H64 Fe8 N8 Na5 O80 -","- C52 H64 Fe8 N8 Na5 O80 -","- C52 H64 Fe8 N8 Na5 O80 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1034","0.0717","","","0.1981","0.2197","","","","","","1.054","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505547","10.916","0.016","11.495","0.016","11.628","0.016","62.196","0.014","81.926","0.016","81.446","0.016","1272","3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","cesium iron(4) dioxo di-HPDTA diacetate","","","- C26 H32 Cs3 Fe4 N4 O30 -","- C26 H32 Cs3 Fe4 N4 O30 -","- C26 H32 Cs3 Fe4 N4 O30 -","1","0.5","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1105","0.097","","","0.2211","0.2274","","","","","","1.276","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505548","11.0751","0.0017","20.51","0.003","11.2452","0.0017","90","","99.297","0.002","90","","2520.8","0.7","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","zinc iron(4) di-HPDTA diacetate","","","- C52 H68 Fe8 N8 O69 Zn2 -","- C52 H68 Fe8 N8 O69 Zn2 -","- C52 H68 Fe8 N8 O69 Zn2 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1044","0.0859","","","0.2703","0.2905","","","","","","1.081","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505549","14.4608","0.0005","15.5768","0.0006","16.2543","0.0007","77.43","0.003","87.842","0.003","66.798","0.004","3279.8","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 Ag4 N8 O21 -","- C56 H64 Ag4 N8 O21 -","- C112 H128 Ag8 N16 O42 -","2","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.0752","0.0499","","","0.1348","0.1472","","","","","","1.062","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505550","14.8314","0.0011","9.7047","0.0017","22.344","0.002","90","","131.552","0.006","90","","2406.8","0.6","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H46 Ag3 N7 O14 -","- C46 H46 Ag3 N7 O14 -","- C92 H92 Ag6 N14 O28 -","2","0.5","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.087","0.0653","","","0.1332","0.1442","","","","","","1.009","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505551","13.6268","0.0013","11.3907","0.0009","22.824","0.003","90","","110.823","0.008","90","","3311.3","0.6","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 Ag2 N4 O10 -","- C36 H28 Ag2 N4 O10 -","- C144 H112 Ag8 N16 O40 -","4","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.2022","0.0821","","","0.1043","0.1311","","","","","","0.939","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505552","13.1642","0.0005","9.9022","0.0005","16.0294","0.0011","90","","124.52","0.004","90","","1721.6","0.18","296","","296","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H24 Ag2 Cl N4 O12 -","- C36 H24 Ag2 Cl N4 O12 -","- C72 H48 Ag4 Cl2 N8 O24 -","2","0.5","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.0759","0.0604","","","0.1524","0.1611","","","","","","1.042","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505553","22.927","0.005","14.592","0.003","13.588","0.003","90","","117.98","0.03","90","","4014.5","1.9","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag N2 O6 -","- C20 H18 Ag N2 O6 -","- C160 H144 Ag8 N16 O48 -","8","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.1213","0.0835","","","0.1888","0.2178","","","","","","1.094","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505554","14.3868","0.0007","9.5641","0.0004","11.3566","0.0005","90","","92.69","0.002","90","","1560.91","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O10 Zn -","- C15 H14 O10 Zn -","- C60 H56 O40 Zn4 -","4","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0359","0.034","","","0.0893","0.0909","","","","","","1.085","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505555","10.946","0.003","21.049","0.005","10.57","0.003","90","","102.395","0.004","90","","2378.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 O8 Zn -","- C27 H18 N2 O8 Zn -","- C108 H72 N8 O32 Zn4 -","4","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0721","0.0681","","","0.2023","0.2076","","","","","","0.952","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505556","7.355","0.002","12.238","0.004","16.627","0.005","91.214","0.003","101.321","0.004","101.88","0.003","1433.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N3 O10 Zn -","- C30 H26 N3 O10 Zn -","- C60 H52 N6 O20 Zn2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0544","0.0426","","","0.0915","0.0985","","","","","","1.061","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505557","11.1662","0.0014","13.8811","0.0018","13.9214","0.0015","96.82","0.05","105.96","0.03","109.44","0.03","1903","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H48 N4 O30 Zn6 -","- C80 H48 N4 O30 Zn6 -","- C80 H48 N4 O30 Zn6 -","1","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0438","0.0416","","","0.1027","0.1073","","","","","","1.024","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505558","7.545","0.004","9.685","0.005","13.943","0.006","81.678","0.014","76.877","0.012","80.706","0.01","973","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O8 Zn1.5 -","- C21 H14 N2 O8 Zn1.5 -","- C42 H28 N4 O16 Zn3 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0278","0.0259","","","0.0713","0.0729","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505559","7.6718","0.0017","13.923","0.003","19.539","0.005","109.64","0.002","90.472","0.002","105.149","0.002","1886.7","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H52 N8 O32 Zn6 -","- C80 H52 N8 O32 Zn6 -","- C80 H52 N8 O32 Zn6 -","1","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0502","0.0391","","","0.0924","0.0978","","","","","","0.967","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505560","22.505","0.003","22.505","0.003","7.3716","0.0019","90","","90","","120","","3233.3","1","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H20 Fe N12 O6.5 -","- C12 H7.02 Fe N12 O3 -","- C72 H42.12 Fe6 N72 O18 -","6","0.166667","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.0564","0.0523","","","0.1433","0.1473","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505561","22.6476","0.0011","22.6476","0.0011","7.4471","0.0005","90","","90","","120","","3308","0.3","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H20 Fe N12 O6.5 -","- C12 H7.02 Fe N12 O3 -","- C72 H42.12 Fe6 N72 O18 -","6","0.166667","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.084","0.0528","","","0.1263","0.1885","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505562","22.6497","0.0012","22.6497","0.0012","7.451","0.0006","90","","90","","120","","3310.3","0.4","200","2","200","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H20 Fe N12 O6.5 -","- C12 H7.02 Fe N12 O3 -","- C72 H42.12 Fe6 N72 O18 -","6","0.166667","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.1029","0.0686","","","0.1693","0.2414","","","","","","1.193","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505563","22.6799","0.0017","22.6799","0.0017","7.4972","0.0008","90","","90","","120","","3339.7","0.5","298","2","298","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H20 Fe N12 O6.5 -","- C12 H7.02 Fe N12 O3 -","- C72 H42.12 Fe6 N72 O18 -","6","0.166667","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.0609","0.0502","","","0.1424","0.1561","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505564","12.078","0.002","24.56","0.005","12.087","0.002","90","","110.48","0.02","90","","3358.8","1.1","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35 H74 Fe3 N24 O25 -","- C26 H18.04 Fe3 N24 O6 -","- C52 H36.08 Fe6 N48 O12 -","2","0.25","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","1.54178","CuKα","","0.0872","0.0666","","","0.14","0.1508","","","","","","0.87","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505565","12.0115","0.001","24.5797","0.0017","12.102","0.0009","90","","110.112","0.009","90","","3355.1","0.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35 H74 Fe3 N24 O25 -","- C26 H18.04 Fe3 N24 O6 -","- C52 H36.08 Fe6 N48 O12 -","2","0.25","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","1.54178","CuKα","","0.0501","0.0398","","","0.0974","0.1021","","","","","","0.917","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505566","12.106","0.002","24.627","0.003","12.118","0.002","90","","110.68","0.02","90","","3380","1","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H80 Fe3 N24 O17 -","- C26 H18.04 Fe3 N24 O6 -","- C52 H36.08 Fe6 N48 O12 -","2","0.25","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","1.54178","CuKα","","0.0946","0.0749","","","0.1774","0.1906","","","","","","0.915","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505567","12.114","0.003","24.506","0.005","11.95","0.003","90","","110.264","0.006","90","","3328","1.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H80 Fe3 N24 O17 -","- C26 H18.04 Fe3 N24 O6 -","- C52 H36.08 Fe6 N48 O12 -","2","0.25","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.1407","0.0914","","","0.2305","0.2825","","","","","","0.901","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505568","20.962","0.003","20.962","0.003","32.498","0.005","90","","90","","120","","12367","3","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","hexakis(dimethylammonium) [dodekakis(mu-pyrazine-2,5-dicarboxylato) -k2N,O:kO')hexaindate(III)]","","- C84 H72 In6 N30 O48 -","- C84 H72 In6 N30 O48 -","- C252 H216 In18 N90 O144 -","3","0.166667","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.1136","0.0547","","","0.1194","0.1278","","","","","","0.853","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505569","31.4338","0.0009","31.4338","0.0009","31.4338","0.0009","90","","90","","90","","31059.2","1.5","100","2","100","2","","","","","","","synthesis as described","5","P a -3","-P 2ac 2ab 3","205","","hexakis(diethylammonium) [dodekakis(mu-pyrazine-2,5-dicarboxylato) -k2N,O:kO')hexaindate(III)]","","- C96 H96 In6 N30 O48 -","- C96 H96 In6 N30 O48 -","- C768 H768 In48 N240 O384 -","8","0.333333","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0802","0.0598","","","0.1611","0.1695","","","","","","0.895","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505570","9.159","0.003","9.159","0.003","24.445","0.014","90","","90","","90","","2050.6","1.5","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-{[tetramethylammonium (mu-pyrazine-2,5-dicarboxylato)-k2N,O:k2N',O') indate(III)]dihydrate}","","- C16 H20 In N5 O10 -","- C16 H20 In N5 O10 -","- C64 H80 In4 N20 O40 -","4","0.25","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.048","0.0313","","","0.0698","0.0728","","","","","","0.943","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505571","10.828","0.001","17.088","0.001","11.467","0.001","90","","106.84","0.01","90","","2030.7","0.3","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","poly-{[diethylammonium (mu-pyrazine-2,5-dicarboxylato)-k2N,O:k2N',O') indate(III)]-water (1/2)}","","- C16 H4 In N5 O10 -","- C16 H4 In N5 O10 -","- C64 H16 In4 N20 O40 -","4","0.5","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0644","0.0511","","","0.1239","0.1296","","","","","","1.008","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505572","15.38","0.001","15.38","0.001","52.911","0.001","90","","90","","120","","10839","1","100","2","100","2","","","","","","","synthesis as described","5","R -3 c :H","-R 3 2""c","167","","poly-[dimethylammonium (mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') indate(III)]","","- C14 H12 In N5 O8 -","- C13.3267 H4 In N4.66 O8 -","- C239.88 H72 In18 N83.88 O144 -","18","0.5","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0496","0.0416","","","0.1296","0.1339","","","","","","1.114","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505573","12.928","0.002","10.806","0.002","12.262","0.003","90","","90","","90","","1713","0.6","100","2","100","2","","","","","","","synthesis as described","5","A b a 2","A 2 -2ab","41","","poly-[dimethylammonium (mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') indate(III)]","","- C14 H12 In N5 O8 -","- C14 H12 In N5 O8 -","- C56 H48 In4 N20 O32 -","4","","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0379","0.0306","","","0.0723","0.0739","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505574","21.2339","0.0001","28.3875","0.0001","28.7497","0.0002","90","","90","","90","","17329.7","0.16","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","tetrakis(dimethylammonium) [octaacuatetrakis(mu-pyridazine-3,6-dicarboxylato) -k2N,O:k2N',O')bis(mu-pyridazine-3,6-dicarboxylato)-k2N,O:k2O',O'') bis(mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') tetrakis(mu-pyridazine-3,6-dicarboxylato)-kO:kO')octaindate(III)octahydrate]","","- C80 H76 In8 N28 O68 -","- C80 H76 In8 N28 O68 -","- C320 H304 In32 N112 O272 -","4","0.5","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","1.5418","CuKα","","0.0347","0.0317","","","0.0873","0.0889","","","","","","1.079","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505575","13.1974","0.0003","6.9662","0.0002","26.2816","0.0008","90","","97.847","0.001","90","","2393.59","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C20 H24 N8 O8 -","- C20 H24 N8 O8 -","- C80 H96 N32 O32 -","4","2","","Leyssens, Tom; Springuel, Geraldine; Montis, Riccardo; Candoni, Nadine; Veesler, Stéphane","Importance of Solvent Selection for Stoichiometrically Diverse Cocrystal Systems: Caffeine/Maleic Acid 1:1 and 2:1 Cocrystals","Crystal Growth & Design","2012","12","3","1520","1530","10.1021/cg201581z","","x-ray","0.71073","MoKα","","0.2037","0.0973","","","0.2465","0.3191","","","","","","1.032","","","","has coordinates","211128","2020-10-21","18:00:00",""
"4505576","7.9765","0.0018","8.067","0.003","12.162","0.005","77.59","0.03","77.68","0.03","69.92","0.03","709.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N4 O6 -","- C12 H14 N4 O6 -","- C24 H28 N8 O12 -","2","1","","Leyssens, Tom; Springuel, Geraldine; Montis, Riccardo; Candoni, Nadine; Veesler, Stéphane","Importance of Solvent Selection for Stoichiometrically Diverse Cocrystal Systems: Caffeine/Maleic Acid 1:1 and 2:1 Cocrystals","Crystal Growth & Design","2012","12","3","1520","1530","10.1021/cg201581z","","","0.71073","MoKα","","0.0629","0.0591","","","0.1638","0.1688","","","","","","1.087","","","","has coordinates","211128","2020-10-21","18:00:00",""
"4505577","10.0216","0.0018","18.327","0.004","24.871","0.005","90","","90","","90","","4568","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Li4 N2 O10 S2 -","- C18 H18 Li4 N2 O10 S2 -","- C144 H144 Li32 N16 O80 S16 -","8","1","","El Osta, Racha; Frigoli, Michel; Marrot, Jérôme; Medina, Manuela E.; Walton, Richard I.; Millange, Franck","Synthesis, Structure, and Crystallization Study of a Layered Lithium Thiophene-Dicarboxylate","Crystal Growth & Design","2012","12","3","1531","","10.1021/cg201587u","","","0.71073","MoKα","","0.0559","0.0425","","","0.1193","0.1333","","","","","","1.057","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505578","13.5182","0.0016","13.5182","0.0016","54.861","0.009","90","","90","","120","","8682","2","291","2","291","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C30 H54 Cu3 N6 O33 -","- C30 H54 Cu3 N6 O33 -","- C180 H324 Cu18 N36 O198 -","6","0.166667","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.0827","0.0501","","","0.104","0.1101","","","","","","1.099","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505579","7.5477","0.0015","15.324","0.003","18.438","0.004","90","","94.279","0.004","90","","2126.6","0.8","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cu3 N6 O28 -","- C30 H44 Cu3 N6 O28 -","- C60 H88 Cu6 N12 O56 -","2","0.5","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.0723","0.0437","","","0.0853","0.0913","","","","","","1.009","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505580","22.5019","0.0012","13.5807","0.0007","21.7291","0.0012","90","","107.542","0.001","90","","6331.4","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 Cu2 N5 O12 -","- C25 H27 Cu2 N5 O12 -","- C200 H216 Cu16 N40 O96 -","8","1","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.08","0.0526","","","0.0901","0.0941","","","","","","1.002","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505581","11.575","0.002","12.634","0.003","14.335","0.002","101.369","0.001","102.935","0.003","96.457","0.002","1976","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Cu2 N5 O16 -","- C28 H39 Cu2 N5 O16 -","- C56 H78 Cu4 N10 O32 -","2","1","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.0763","0.0558","","","0.1196","0.1236","","","","","","1.087","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505582","17.3959","0.0006","18.1202","0.0005","25.2906","0.0007","72.424","0.003","70.744","0.003","63.2","0.003","6605.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H130 Gd0.33 O34.5 P4 S5 -","- C123 H101 Gd0.33 O34.49 P4 S5 -","- C246 H202 Gd0.66 O68.98 P8 S10 -","2","1","","Ling, Irene; Alias, Yatimah; Skelton, Brian W.; Raston, Colin L.","Conformationally Flexiblep-Sulfonated Calix[5]arene Binding with Large Bis-Phosphonium Cations","Crystal Growth & Design","2012","12","3","1564","","10.1021/cg201615u","","","0.71073","MoKα","","0.1715","0.1021","","","0.2962","0.3186","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505583","10.659","0.003","14.708","0.005","16.638","0.005","83.681","0.005","71.443","0.002","87.964","0.005","2457.7","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 Co4 N4 O21 -","- C48 H46 Co4 N4 O21 -","- C96 H92 Co8 N8 O42 -","2","1","","Ahmad, Musheer; Sharma, Manish K.; Das, Raja; Poddar, Pankaj; Bharadwaj, Parimal K.","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Co(II) Using Flexible and Rigid Nitrogen-Based Ditopic Ligands as Spacers","Crystal Growth & Design","2012","12","3","1571","","10.1021/cg201619x","","","0.71069","MoKα","","0.1111","0.0805","","","0.2182","0.2499","","","","","","1.037","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505584","8.005","0.002","10.744","0.005","14.402","0.005","97.64","0.003","91.05","0.005","109.285","0.002","1156.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Co2 N O11 -","- C22 H21 Co2 N O11 -","- C44 H42 Co4 N2 O22 -","2","1","","Ahmad, Musheer; Sharma, Manish K.; Das, Raja; Poddar, Pankaj; Bharadwaj, Parimal K.","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Co(II) Using Flexible and Rigid Nitrogen-Based Ditopic Ligands as Spacers","Crystal Growth & Design","2012","12","3","1571","","10.1021/cg201619x","","","0.71069","MoKα","","0.0419","0.0364","","","0.0917","0.0974","","","","","","1.06","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505585","9.6603","0.0014","10.6821","0.0015","11.9029","0.0017","90","","110.087","0.002","90","","1153.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Cl4 Hg2 S2 -","- C16 H26 Cl4 Hg2 S2 -","- C32 H52 Cl8 Hg4 S4 -","2","0.5","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0221","0.0195","","","0.041","0.0423","","","","","","1.058","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505586","12.615","0.003","13.098","0.004","12.906","0.003","90","","94.987","0.004","90","","2124.4","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Br2 Hg S2 -","- C16 H26 Br2 Hg S2 -","- C64 H104 Br8 Hg4 S8 -","4","0.5","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0276","0.0241","","","0.0553","0.0567","","","","","","1.097","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505587","18.1348","0.0019","4.6393","0.0005","18.2534","0.0019","90","","95.91","0.002","90","","1527.5","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C10 H14 Hg I2 S2 -","- C10 H14 Hg I2 S2 -","- C40 H56 Hg4 I8 S8 -","4","1","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.033","0.0293","","","0.0684","0.0701","","","","","","1.086","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505588","6.112","0.0014","11.909","0.003","12.163","0.003","76.858","0.004","80.429","0.004","77.767","0.004","836","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0876","0.0587","","","0.1175","0.13","","","","","","1.049","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505589","9.6413","0.0009","14.9426","0.0013","18.6698","0.0017","78.188","0.002","79.913","0.002","76.601","0.002","2537.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.5 H45 Br6 Cl Hg3 S4 -","- C44 H44 Br6 Hg3 S4 -","- C88 H88 Br12 Hg6 S8 -","2","1","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0372","0.0279","","","0.0701","0.0733","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505590","23.622","0.003","5.8468","0.0008","11.4433","0.0016","90","","91.535","0.002","90","","1579.9","0.4","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H38 Cl4 Hg2 O4 S2 -","- C22 Cl4 Hg2 S2 -","- C44 Cl8 Hg4 S4 -","2","0.25","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0316","0.0276","","","0.0604","0.0615","","","","","","1.078","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505591","9.3022","0.0007","11.2733","0.0008","23.9813","0.0017","100.73","0.001","93.913","0.001","91.412","0.001","2463.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H78 Ce2 O16 -","- C38 H78 Ce2 O16 -","- C76 H156 Ce4 O32 -","2","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.059","0.0529","","","0.1391","0.1425","","","","","","1.05","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505592","20.704","0.005","7.933","0.002","32.877","0.008","90","","106.526","0.003","90","","5177","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 Ce3 N3 O21 -","- C42 H63 Ce3 N3 O21 -","- C168 H252 Ce12 N12 O84 -","4","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.034","0.0258","","","0.053","0.0584","","","","","","1.067","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505593","14.6915","0.0011","18.5748","0.0014","15.3352","0.0012","90","","113.766","0.001","90","","3830","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 Ce2 O16 -","- C24 H48 Ce2 O15 -","- C96 H192 Ce8 O60 -","4","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.0688","0.0562","","","0.141","0.1499","","","","","","0.938","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505594","24.6004","0.0013","12.4601","0.0007","21.0665","0.0012","90","","90","","90","","6457.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H95 Ce3 O22 -","- C48 H95 Ce3 O22 -","- C192 H380 Ce12 O88 -","4","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.0304","0.0244","","","0.057","0.0604","","","","","","1.031","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505595","27.212","0.002","13.2769","0.0011","22.3004","0.0018","90","","120.3","0.001","90","","6956.3","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H99 Ce3 O28 -","- C52 H99 Ce3 O28 -","- C208 H396 Ce12 O112 -","4","0.5","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.0387","0.0308","","","0.0796","0.0848","","","","","","1.145","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505596","16.8","0.0014","11.522","0.003","20.36","0.002","90","","90","0.002","90","","3941.1","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C184 H8 Co8 N32 O32 -","- C184 H120 Co8 N32 O32 -","- C184 H120 Co8 N32 O32 -","1","0.125","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.1069","0.0737","","","0.1975","0.243","","","","","","0.976","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505597","8.151","0.001","9.852","0.0012","12.035","0.0015","81.615","0.002","89.711","0.002","83.209","0.002","949.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N4 Ni O5 -","- C23 H17 N4 Ni O5 -","- C46 H34 N8 Ni2 O10 -","2","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.1069","0.0783","","","0.1883","0.2062","","","","","","0.984","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505598","17.4172","0.0017","14.4595","0.0014","16.5632","0.0016","90","","99.263","0.002","90","","4116.9","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Cu N4 O4 -","- C23 H15 Cu N4 O4 -","- C184 H120 Cu8 N32 O32 -","8","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.0729","0.0506","","","0.1281","0.1425","","","","","","0.858","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505599","17.286","0.004","11.384","0.002","19.414","0.004","90","","90","","90","","3820.4","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H15 N4 O4 Zn -","- C23 H15 N4 O4 Zn -","- C184 H120 N32 O32 Zn8 -","8","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.1061","0.0914","","","0.1959","0.2159","","","","","","1.315","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505600","7.669","0.0005","9.5867","0.0006","10.3567","0.0007","89.12","0.001","69.859","0.001","67.531","0.001","654.64","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cd N2 O4 -","- C14 H8 Cd N2 O4 -","- C28 H16 Cd2 N4 O8 -","2","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.0235","0.0225","","","0.0567","0.0572","","","","","","1.051","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505601","11.3737","0.0004","17.9058","0.0008","17.6013","0.0007","90","","99.234","0.004","90","","3538.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co2 N6 O8 -","- C36 H26 Co2 N6 O8 -","- C72 H52 Co4 N12 O16 -","2","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Xue, Wei","From Nonporous to Porous Doubly-Pillared-Layer Framework: Control over Interpenetration via Shape Alteration of Layer Apertures","Crystal Growth & Design","2012","12","3","1626","","10.1021/cg201657q","","","1.54178","CuKα","","0.1527","0.1193","","","0.3174","0.3438","","","","","","1.07","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505602","15.1305","0.0005","17.3114","0.0006","15.8534","0.0005","90","","114.182","0.002","90","","3788.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 La2 N26 O43 S2 -","- C50 H60 La2 N26 O43 S2 -","- C100 H120 La4 N52 O86 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0551","0.0385","","","0.1068","0.1129","","","","","","1.04","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505603","15.1318","0.0003","17.3172","0.0006","15.8969","0.0005","90","","114.284","0.002","90","","3797","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Ce2 N26 O42 S2 -","- C50 H56 Ce2 N26 O42 S2 -","- C100 H112 Ce4 N52 O84 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0614","0.0412","","","0.1133","0.1203","","","","","","1.036","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505604","25.4539","0.0008","17.1496","0.0005","16.3153","0.0005","90","","94.102","0.002","90","","7103.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H73 N26 Nd2 O42.5 S2 -","- C50 H73 N26 Nd2 O42.5 S2 -","- C200 H292 N104 Nd8 O170 S8 -","4","1","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0478","0.0357","","","0.0926","0.0967","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505605","14.645","0.0003","17.4413","0.0006","15.4932","0.0005","90","","114.636","0.002","90","","3597.17","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Eu2 N26 O42 S2 -","- C50 H60 Eu2 N26 O42 S2 -","- C100 H120 Eu4 N52 O84 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0572","0.0365","","","0.0925","0.0985","","","","","","1.018","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505606","14.6276","0.0002","17.4349","0.0003","15.443","0.0002","90","","114.646","0.0006","90","","3579.66","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 Dy2 N26 O41 S2 -","- C50 H60 Dy2 N26 O41 S2 -","- C100 H120 Dy4 N52 O82 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0337","0.0273","","","0.0741","0.0763","","","","","","1.036","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505607","14.6535","0.0005","17.4352","0.0006","15.3977","0.0003","90","","114.691","0.002","90","","3574.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 Er2 N26 O41 S2 -","- C50 H60 Er2 N26 O41 S2 -","- C100 H120 Er4 N52 O82 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0553","0.0385","","","0.0992","0.1049","","","","","","1.037","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505608","14.6399","0.0002","17.4055","0.0002","15.4042","0.0002","90","","114.66","0.002","90","","3567.24","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 N26 O41 S2 Yb2 -","- C50 H60 N26 O41 S2 Yb2 -","- C100 H120 N52 O82 S4 Yb4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0347","0.0268","","","0.073","0.0754","","","","","","1.052","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505609","13.5294","0.0004","19.5106","0.0006","15.6824","0.0006","90","","103.46","0.002","90","","4025.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H86 Lu2 N26 O49 S2 -","- C50 H76 Lu2 N26 O49 S2 -","- C100 H152 Lu4 N52 O98 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0597","0.0472","","","0.1319","0.1384","","","","","","1.047","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505610","15.1723","0.0004","17.3255","0.0005","15.1843","0.0003","90","","112.784","0.002","90","","3680.01","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H65 Er2 F6 N24 O38.5 S4 -","- C52 H64 Er2 F6 N24 O38.5 S4 -","- C104 H128 Er4 F12 N48 O77 S8 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0502","0.0363","","","0.0928","0.0973","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505611","13.7752","0.0003","19.3137","0.0005","15.5268","0.0003","90","","104.392","0.002","90","","4001.27","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H84 Cl2 Er2 N24 O42 S2 -","- C50 H76 Cl2 Er2 N24 O42 S2 -","- C100 H152 Cl4 Er4 N48 O84 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0568","0.0424","","","0.1162","0.1219","","","","","","1.04","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505612","10.5886","0.0002","12.7178","0.0005","13.8515","0.0007","72.399","0.002","82.545","0.003","80.328","0.003","1746.5","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Ce2 N28 O42 S2 -","- C50 H62 Ce2 N28 O42 S2 -","- C50 H62 Ce2 N28 O42 S2 -","1","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0495","0.0364","","","0.0845","0.0885","","","","","","1.051","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505613","10.5336","0.0003","12.7121","0.0004","13.855","0.0005","72.483","0.002","82.584","0.002","80.408","0.002","1738.32","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 N28 Nd2 O42 S2 -","- C50 H62 N28 Nd2 O42 S2 -","- C50 H62 N28 Nd2 O42 S2 -","1","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0304","0.0263","","","0.0706","0.0719","","","","","","1.041","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505614","15.7142","0.0009","16.0724","0.0007","19.3805","0.0008","96.914","0.003","110.422","0.003","106.722","0.004","4258.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H93.5 N25 Nd1.5 O51.5 S3 -","- C57 H54.5 N25 Nd1.5 O51.5 S3 -","- C114 H109 N50 Nd3 O103 S6 -","2","1","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0885","0.0782","","","0.2217","0.229","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505615","13.7298","0.0006","9.1144","0.0004","14.9435","0.0006","90","","110.863","0.002","90","","1747.4","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0678","0.0577","","","0.1762","0.1864","","","","","","0.993","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505616","8.7555","0.0008","10.3506","0.001","11.388","0.0012","79.478","0.007","70.873","0.006","79.682","0.006","950.73","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0621","0.0518","","","0.1446","0.1568","","","","","","1.053","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505617","15.7164","0.001","9.2068","0.0005","16.0795","0.001","90","","90.744","0.004","90","","2326.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C96 H112 N8 O28 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0723","0.0505","","","0.1288","0.1441","","","","","","0.706","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505618","8.0009","0.0003","9.2227","0.0003","13.6691","0.0005","90.928","0.002","102.486","0.002","103.478","0.002","955.31","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.049","0.042","","","0.1299","0.1389","","","","","","0.926","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505619","8.0566","0.0005","33.229","0.002","9.1803","0.0007","90","","101.13","0.005","90","","2411.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 O6 -","- C26 H32 N2 O6 -","- C104 H128 N8 O24 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0885","0.0526","","","0.1375","0.1557","","","","","","0.806","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505620","15.309","0.003","8.9162","0.0019","15.951","0.004","90","","110.878","0.013","90","","2034.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N2 O6 -","- C20 H23 Cl N2 O6 -","- C80 H92 Cl4 N8 O24 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.1557","0.073","","","0.1798","0.2252","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505621","15.094","0.008","15.094","0.008","48.91","0.05","90","","90","","120","","9650","12","296","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C40 H46 N4 O8 S -","- C40 H46 N4 O8 S -","- C360 H414 N36 O72 S9 -","9","0.5","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0863","0.0741","","","0.206","0.2148","","","","","","1.055","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505622","8.0024","0.0006","10.0959","0.0008","13.638","0.001","81.435","0.004","77.635","0.004","70.938","0.004","1013.53","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O6 S -","- C20 H24 N2 O6 S -","- C40 H48 N4 O12 S2 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0457","0.0373","","","0.0983","0.1042","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505623","8.1285","0.0005","10.9801","0.0007","11.9948","0.0007","96.789","0.004","95.608","0.004","99.124","0.004","1042.17","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 B F4 N2 O3 -","- C20 H25 B F4 N2 O3 -","- C40 H50 B2 F8 N4 O6 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0895","0.0635","","","0.1667","0.1917","","","","","","0.928","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505624","8.0447","0.0012","26.422","0.005","11.2878","0.0018","90","","126.488","0.01","90","","1929","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.1774","0.1063","","","0.2231","0.2578","","","","","","1.083","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505625","24.388","0.003","24.388","0.003","14.249","0.002","90","","90","","120","","7339.5","1.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H30 Co3 N4 O16 -","- C26 H34 Co3 N4 O16 -","- C234 H306 Co27 N36 O144 -","9","0.5","","Wang, Chengjie; Wang, Tao; Zhang, Wan; Lu, Huijie; Li, Gang","Two Unprecedented Transition-Metal‒Organic Frameworks Showing One Dimensional-Hexagonal Channel Open Network and Two-Dimensional Sheet Structures","Crystal Growth & Design","2012","12","3","1091","","10.1021/cg300027h","","","0.71073","MoKα","","0.1204","0.0528","","","0.099","0.1176","","","","","","0.957","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505626","21.9033","0.0016","22.7086","0.0016","21.3286","0.0016","90","","90","","90","","10608.7","1.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C114 H90 Mn5 N18 O21 -","- C114 H90 Mn5 N18 O21 -","- C456 H360 Mn20 N72 O84 -","4","0.5","","Wang, Chengjie; Wang, Tao; Zhang, Wan; Lu, Huijie; Li, Gang","Two Unprecedented Transition-Metal‒Organic Frameworks Showing One Dimensional-Hexagonal Channel Open Network and Two-Dimensional Sheet Structures","Crystal Growth & Design","2012","12","3","1091","","10.1021/cg300027h","","","0.71073","MoKα","","0.1016","0.0542","","","0.1422","0.1718","","","","","","1.019","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505627","8.3881","0.0016","11.532","0.002","18.652","0.003","90","","97.916","0.001","90","","1787","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F N2 O5 -","- C19 H17 F N2 O5 -","- C76 H68 F4 N8 O20 -","4","1","","Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.","Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.","ACS combinatorial science","2012","14","3","218","223","10.1021/co2001873","","","1.54178","CuKα","","0.035","0.0349","","","0.0883","0.0884","","","","","","1.061","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505628","13.4864","0.0013","20.1959","0.0019","16.1652","0.0015","90","","90.179","0.002","90","","4402.9","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F N3 O5 -","- C22 H26 F N3 O5 -","- C176 H208 F8 N24 O40 -","8","2","","Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.","Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.","ACS combinatorial science","2012","14","3","218","223","10.1021/co2001873","","","0.71073","MoKα","","0.0462","0.036","","","0.0871","0.0923","","","","","","1.008","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505629","7.7789","0.0008","13.1511","0.0013","16.1282","0.0016","76.669","0.001","84.6","0.001","77.944","0.001","1568.2","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26.33 Cl3.67 N4 O9 -","- C29 H26.33 Cl3.67 N4 O9 -","- C58 H52.66 Cl7.34 N8 O18 -","2","1","","Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.","Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.","ACS combinatorial science","2012","14","3","218","223","10.1021/co2001873","","","0.71073","MoKα","","0.0424","0.0388","","","0.1094","0.1122","","","","","","1.058","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505630","8.6868","0.0003","12.061","0.0003","16.5857","0.0006","90","","90.843","0.002","90","","1737.52","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O S4 -","- C16 H12 N2 O S4 -","- C64 H48 N8 O4 S16 -","4","1","","Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Singh, Maya Shankar","4-Dimethylamino Pyridine-Promoted One-Pot Three-Component Regioselective Synthesis of Highly Functionalized 4H-Thiopyrans via Heteroannulation of β-Oxodithioesters.","ACS combinatorial science","2012","14","3","224","230","10.1021/co200203e","","","0.71073","MoKα","","0.0495","0.0374","","","0.1104","0.1216","","","","","","0.982","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505631","14.0495","0.0019","9.9391","0.0014","17.681","0.002","90","","110.777","0.002","90","","2308.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Br4 N4 Ni2 -","- C48 H56 Br4 N4 Ni2 -","- C96 H112 Br8 N8 Ni4 -","2","0.5","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.0487","0.0289","","","0.0634","0.0713","","","","","","1.056","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505632","18.146","0.003","12.048","0.002","18.386","0.003","90","","119.14","0.003","90","","3510.9","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Br2 Cl4 N2 Ni O -","- C27 H33 Br2 Cl4 N2 Ni O -","- C108 H132 Br8 Cl16 N8 Ni4 O4 -","4","1","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.111","0.0708","","","0.1924","0.2198","","","","","","1.115","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505633","11.7518","0.0017","10.9119","0.0016","18.5929","0.0019","90","","128.486","0.006","90","","1866.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Br2 N4 Ni -","- C38 H52 Br2 N4 Ni -","- C76 H104 Br4 N8 Ni2 -","2","0.5","","Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing","Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization","ACS Catalysis","2012","2","3","433","","10.1021/cs200593c","","","0.71073","MoKα","","0.0699","0.0381","","","0.0898","0.104","","","","","","1.023","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505634","9.806","0.002","12.76","0.006","15.657","0.006","90","","102.62","0.03","90","","1911.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 I N O5 S -","- C18 H20 I N O5 S -","- C72 H80 I4 N4 O20 S4 -","4","1","","Guilbault, Audrey-Anne; Legault, Claude Y.","Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist","ACS Catalysis","2012","2","2","219","","10.1021/cs200612s","","","0.71073","MoKα","","0.1051","0.0535","","","0.112","0.1251","","","","","","1.04","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505635","7.172","0.003","7.921","0.003","33.699","0.008","90","","93.67","0.03","90","","1910.5","1.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 I N O5 S -","- C19 H22 I N O5 S -","- C76 H88 I4 N4 O20 S4 -","4","1","","Guilbault, Audrey-Anne; Legault, Claude Y.","Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist","ACS Catalysis","2012","2","2","219","","10.1021/cs200612s","","","0.71073","MoKα","","0.1389","0.0689","","","0.1435","0.1635","","","","","","0.992","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505636","7.2195","0.0017","12.224","0.003","28.17","0.006","90","","90","","90","","2486","1","213","1","213","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 F3 O6 -","- C26 H29 F3 O6 -","- C104 H116 F12 O24 -","4","1","","Velvadapu, Venkata; Glassford, Ian; Lee, Miseon; Paul, Tapas; Debrosse, Charles; Klepacki, Dorota; Small, Meagan C.; Mackerell, Jr, Alexander D; Andrade, Rodrigo B.","Desmethyl Macrolides: Synthesis and Evaluation of 4,10-Didesmethyl Telithromycin.","ACS medicinal chemistry letters","2012","3","3","211","215","10.1021/ml200254h","","","0.71073","MoKα","","0.0546","0.0429","","","0.0991","0.1101","","","","","","1.086","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505637","7.3789","0.0002","12.7852","0.0003","32.0596","0.0008","90","","90","","90","","3024.53","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-O-Acetyl-4,6-benzylidene-1,5-N-(carbobenzyloxy) imino-2-tosylamino-1,2,5-trideoxy-D-glucitol","","","- C30 H32 N2 O8 S -","- C30 H32 N2 O8 S -","- C120 H128 N8 O32 S4 -","4","1","","Yamaguchi, Takao; Blázquez, Blas; Hesek, Dusan; Lee, Mijoon; Llarrull, Leticia I.; Boggess, Bill; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Inhibitors for Bacterial Cell-Wall Recycling.","ACS medicinal chemistry letters","2012","3","3","238","242","10.1021/ml2002746","","","1.54178","CuKα","","0.0953","0.0546","","","0.1353","0.1673","","","","","","1.034","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505862","24.2945","0.0012","3.8517","0.0002","25.4884","0.0015","90","","99.407","0.003","90","","2353","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H18 N4 -","- C38 H18 N4 -","- C152 H72 N16 -","4","1","","Wu, Yuechao; Yin, Zongyou; Xiao, Jinchong; Liu, Yi; Wei, Fengxia; Tan, Ke Jie; Kloc, Christian; Huang, Ling; Yan, Qingyu; Hu, Fangzhong; Zhang, Hua; Zhang, Qichun","Crystal structure and phototransistor behavior of N-substituted heptacence.","ACS applied materials & interfaces","2012","4","4","1883","1886","10.1021/am3003389","","","0.71073","MoKα","","0.1026","0.0444","","","0.0941","0.1224","","","","","","0.993","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4505863","16.255","0.001","10.255","0.001","9.281","0.001","90","","90.54","0.01","90","","1547","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.0891","0.051","","","0.1305","0.1907","","","","","","0.869","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505864","15.768","0.001","10.321","0.001","9.594","0.001","90","","90.53","0.01","90","","1561.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.0995","0.0485","","","0.1068","0.1309","","","","","","1.036","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505865","16.567","0.001","10.346","0.001","9.229","0.001","90","","90.36","0.01","90","","1581.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O4 Se -","- C16 H16 N2 O4 Se -","- C64 H64 N8 O16 Se4 -","4","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1489","0.0962","","","0.2098","0.2357","","","","","","1.167","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505866","10.679","0.001","4.524","0.001","18.025","0.002","90","","116.099","0.009","90","","782","0.2","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1043","0.0572","","","0.1537","0.1837","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505867","5.741","0.001","8.219","0.001","8.838","0.001","83.59","0.01","75.06","0.01","80.87","0.01","396.73","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","1","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1251","0.0565","","","0.1184","0.1463","","","","","","1.045","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505868","6.405","0.001","9.197","0.0001","9.482","0.0001","67.88","0.01","74.09","0.01","75.85","0.01","491.33","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","1","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.228","0.0619","","","0.0942","0.1367","","","","","","0.933","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505869","3.829","0.001","9.128","0.001","10.841","0.001","107.16","0.01","99.61","0.01","95.86","0.01","352.32","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","1","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1022","0.0549","","","0.1191","0.1412","","","","","","1.005","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505870","15.1324","0.0002","10.2258","0.0001","8.42153","0.00008","90","","89.997","0.007","90","","1303.16","0.02","297","","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Al4 H2 K5.8652 O26 Si8 -","- Al4 H2 K5.869 O26 Si8 -","- Al8 H4 K11.738 O52 Si16 -","2","1","","Takako, Nagase; Takuji, Ikeda; Chie, Abe; Yasuhisa, Hasegawa; Yoshimichi, Kiyozumi; Takaaki, Hanaoka","Solvothermal Synthesis of −LIT-type Zeolite","Crystal Growth & Design","2012","12","4","1752","","10.1021/cg201138f","powder diffraction","","1.54059","CuKα~1~","","0.01157","","","","","","0.01157","0.0177","1.2982","","","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505871","9.277","0.0006","13.6193","0.0009","14.7288","0.0011","90","","90.274","0.001","90","","1860.9","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O9 Pr -","- C19 H18 N O9 Pr -","- C76 H72 N4 O36 Pr4 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0504","0.04","","","0.0753","0.0787","","","","","","1.135","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505872","9.2307","0.0004","13.6222","0.0006","14.7072","0.0007","90","","90.271","0.001","90","","1849.3","0.14","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N Nd O9 -","- C19 H18 N Nd O9 -","- C76 H72 N4 Nd4 O36 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0404","0.0337","","","0.07","0.0727","","","","","","1.103","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505873","9.2161","0.0006","13.5618","0.0009","14.6623","0.0009","90","","90.209","0.001","90","","1832.6","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O9 Sm -","- C19 H18 N O9 Sm -","- C76 H72 N4 O36 Sm4 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0535","0.0405","","","0.078","0.0824","","","","","","1.106","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505874","9.239","0.0005","13.5278","0.0008","14.6379","0.0008","90","","90.354","0.001","90","","1829.46","0.18","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Eu N O9 -","- C19 H18 Eu N O9 -","- C76 H72 Eu4 N4 O36 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0498","0.0334","","","0.0676","0.0735","","","","","","1.026","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505875","9.2275","0.0005","13.5056","0.0008","14.6122","0.0008","90","","90.328","0.001","90","","1820.99","0.18","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Gd N O9 -","- C19 H18 Gd N O9 -","- C76 H72 Gd4 N4 O36 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0333","0.0273","","","0.0561","0.0585","","","","","","1.081","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505876","9.2141","0.0004","13.4695","0.0006","14.5918","0.0006","90","","90.356","0.001","90","","1810.94","0.14","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O9 Tb -","- C19 H18 N O9 Tb -","- C76 H72 N4 O36 Tb4 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0257","0.0218","","","0.0464","0.0481","","","","","","1.059","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505877","9.2006","0.0004","13.4378","0.0006","14.5636","0.0006","90","","90.356","0.001","90","","1800.55","0.13","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Dy N O9 -","- C19 H18 Dy N O9 -","- C76 H72 Dy4 N4 O36 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0302","0.0251","","","0.0534","0.0557","","","","","","1.02","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505878","15.734","0.0005","10.6914","0.0004","23.326","0.0008","90","","90","","90","","3923.9","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 Er2 N3 O18 -","- C40 H36 Er2 N3 O18 -","- C160 H144 Er8 N12 O72 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0304","0.0232","","","0.0554","0.0587","","","","","","1.048","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505879","15.6958","0.0005","10.6984","0.0003","23.2644","0.0007","90","","90","","90","","3906.6","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 N3 O18 Tm2 -","- C40 H36 N3 O18 Tm2 -","- C160 H144 N12 O72 Tm8 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0255","0.0207","","","0.0471","0.0491","","","","","","1.026","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505880","15.6733","0.0005","10.7028","0.0003","23.2631","0.0007","90","","90","","90","","3902.3","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 N3 O18 Yb2 -","- C40 H36 N3 O18 Yb2 -","- C160 H144 N12 O72 Yb8 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0237","0.0192","","","0.0435","0.0453","","","","","","1.032","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505881","19.967","0.003","19.967","0.003","5.4405","0.001","90","","90","","90","","2169","0.6","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Rajbongshi, Basanta Kumar; Nair, Nisanth N.; Nethaji, M.; Ramanathan, Gurunath","Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism","Crystal Growth & Design","2012","12","4","1823","","10.1021/cg201313g","","","0.71073","MoKα","","0.1238","0.065","","","0.1443","0.1903","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505882","19.9715","0.0017","19.9715","0.0017","5.4372","0.0006","90","","90","","90","","2168.7","0.4","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Rajbongshi, Basanta Kumar; Nair, Nisanth N.; Nethaji, M.; Ramanathan, Gurunath","Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism","Crystal Growth & Design","2012","12","4","1823","","10.1021/cg201313g","","","0.71073","MoKα","","0.0874","0.058","","","0.1202","0.1537","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505883","10.9338","0.001","12.3885","0.0012","9.6317","0.0009","90","","94.873","0.002","90","","1299.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 S Zn -","- C13 H9 N O5 S Zn -","- C52 H36 N4 O20 S4 Zn4 -","4","1","","Zang, Shuang-Quan; Cao, Li-Hui; Liang, Ran; Hou, Hong-Wei; Mak, Thomas C. W.","Divalent Zinc, Cobalt, and Cadmium Coordination Polymers of a New Flexible Trifunctional Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","4","1830","","10.1021/cg2013733","","","0.71073","MoKα","","0.0428","0.035","","","0.0863","0.0898","","","","","","1.035","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505884","16.5392","0.001","15.5258","0.0009","10.0965","0.0003","90","","91.596","0.004","90","","2591.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Co2 N2 O9 S2 -","- C26 H16 Co2 N2 O9 S2 -","- C104 H64 Co8 N8 O36 S8 -","4","1","","Zang, Shuang-Quan; Cao, Li-Hui; Liang, Ran; Hou, Hong-Wei; Mak, Thomas C. W.","Divalent Zinc, Cobalt, and Cadmium Coordination Polymers of a New Flexible Trifunctional Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","4","1830","","10.1021/cg2013733","","","0.71073","MoKα","","0.1102","0.0996","","","0.2833","0.2903","","","","","","1.073","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505885","19.436","0.006","14.183","0.003","10.148","0.002","90","","110.1","0.03","90","","2627","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd2 N2 O9 S2 -","- C26 H16 Cd2 N2 O9 S2 -","- C104 H64 Cd8 N8 O36 S8 -","4","0.5","","Zang, Shuang-Quan; Cao, Li-Hui; Liang, Ran; Hou, Hong-Wei; Mak, Thomas C. W.","Divalent Zinc, Cobalt, and Cadmium Coordination Polymers of a New Flexible Trifunctional Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","4","1830","","10.1021/cg2013733","","","0.71073","MoKα","","0.049","0.0425","","","0.1158","0.1218","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505886","9.8643","0.0002","9.1412","0.0002","18.1501","0.0004","90","","103.47","0.002","90","","1591.6","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.0354","0.0304","","","0.0803","0.0852","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505887","13.3924","0.0004","7.1702","0.0002","18.008","0.0005","90","","111.24","0.003","90","","1611.77","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.0508","0.0384","","","0.0974","0.1039","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505888","7.9754","0.0001","8.9243","0.0002","27.785","0.0004","90","","90","","90","","1977.59","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.056","0.045","","","0.1144","0.1427","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505889","9.4475","0.0013","11.1603","0.0017","11.2471","0.0016","94.415","0.012","103.739","0.012","109.702","0.013","1068.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C46 H50 N2 O10 -","2","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.0827","0.0584","","","0.1643","0.1882","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505890","8.723","0.002","11.689","0.002","11.205","0.002","90","","106.56","0.02","90","","1095.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N5 -","- C9 H17 N5 -","- C36 H68 N20 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.0595","0.041","","","0.093","0.1007","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505891","10.5732","0.0011","13.739","0.002","16.5878","0.0018","90","","90","","90","","2409.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N3 S -","- C10 H17 N3 S -","- C80 H136 N24 S8 -","8","2","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.1044","0.0671","","","0.1241","0.1368","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505892","7.1066","0.0015","20.285","0.003","9.274","0.002","90","","110.168","0.016","90","","1254.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.116","0.0569","","","0.1075","0.131","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505893","8.8562","0.0005","9.4412","0.0004","13.3806","0.0006","75.251","0.003","86.185","0.003","86.496","0.003","1078.4","0.09","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Cl9 N2 Ti2 -","- C9 H17 Cl9 N2 Ti2 -","- C18 H34 Cl18 N4 Ti4 -","2","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71073","MoKα","","0.037","0.0288","","","0.061","0.0651","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505894","10.071","0.005","15.568","0.005","17.737","0.005","90","","92.127","0.005","90","","2779","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Ce Cl6 N4 -","- C18 H34 Ce Cl6 N4 -","- C72 H136 Ce4 Cl24 N16 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.0839","0.056","","","0.0695","0.1419","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505895","9.1026","0.0009","13.6901","0.0017","20.269","0.002","90","","90","","90","","2525.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cl Cu N3 -","- C10 H17 Cl Cu N3 -","- C80 H136 Cl8 Cu8 N24 -","8","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.0568","0.0419","","","0.096","0.1031","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505896","28.3294","0.0003","28.3294","0.0008","7.2009","0.0005","90","","90","","120","","5004.9","0.4","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9.33 H17 Cl0.67 N2.33 -","- C9.33 H17 Cl0.67 N2.33 -","- C167.94 H306 Cl12.06 N41.94 -","18","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71073","MoKα","","0.0724","0.0564","","","0.1467","0.1597","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505897","28.247","0.001","28.247","0.002","7.301","0.002","90","","90","","120","","5045","1.4","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H17 Cl0.3 N4.1 -","- C9 H17 Cl0.3 N4.1 -","- C162 H306 Cl5.4 N73.8 -","18","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71073","MoKα","","0.085","0.0631","","","0.1567","0.174","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505898","8.5502","0.0002","20.0981","0.0004","12.8744","0.0003","90","","99.403","0.001","90","","2182.65","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 Zn -","- C24 H18 N2 O4 Zn -","- C96 H72 N8 O16 Zn4 -","4","1","","Sun, Qian; Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Kun; Gao, En-Qing","Entangled Metal‒Organic Frameworks ofm-Phenylenediacrylate Modulated by Bis(pyridyl) Ligands","Crystal Growth & Design","2012","12","5","2234","","10.1021/cg201432w","","","0.71073","MoKα","","0.0473","0.0308","","","0.0743","0.0822","","","","","","1.006","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505899","8.605","0.011","11.526","0.014","12.862","0.016","113.698","0.017","99.844","0.017","101.204","0.017","1101","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O4 Zn -","- C24 H20 N2 O4 Zn -","- C48 H40 N4 O8 Zn2 -","2","1","","Sun, Qian; Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Kun; Gao, En-Qing","Entangled Metal‒Organic Frameworks ofm-Phenylenediacrylate Modulated by Bis(pyridyl) Ligands","Crystal Growth & Design","2012","12","5","2234","","10.1021/cg201432w","","","0.71073","MoKα","","0.0717","0.0513","","","0.1354","0.1517","","","","","","0.865","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505900","18.8968","0.0007","16.8266","0.0006","16.1483","0.0006","90","","108.349","0.001","90","","4873.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N2 O6.5 Zn -","- C25 H27 N2 O6.5 Zn -","- C200 H216 N16 O52 Zn8 -","8","1","","Sun, Qian; Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Kun; Gao, En-Qing","Entangled Metal‒Organic Frameworks ofm-Phenylenediacrylate Modulated by Bis(pyridyl) Ligands","Crystal Growth & Design","2012","12","5","2234","","10.1021/cg201432w","","","0.71073","MoKα","","0.0721","0.0565","","","0.1532","0.1681","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505901","5.9953","0.0005","7.2024","0.0006","44.908","0.004","90","","90","","90","","1939.2","0.3","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Nishiguchi, Noriaki; Kinuta, Takafumi; Sato, Tomohiro; Nakano, Yoko; Harada, Takunori; Tajima, Nobuo; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Novel Means of Controlling the Solid-State Circular Dichroism Property in a Supramolecular Organic Fluorophore Comprising 4-[2-(Methylphenyl)ethynyl]benzoic Acid by Varying the Position of the Methyl Substituent","Crystal Growth & Design","2012","12","4","1859","","10.1021/cg201496j","","","0.71073","MoKα","","0.0441","0.0418","","","0.098","0.0991","","","","","","1.116","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505902","7.2507","0.0017","6.0916","0.0015","22.013","0.005","90","","92.607","0.003","90","","971.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C48 H46 N2 O4 -","2","1","","Nishiguchi, Noriaki; Kinuta, Takafumi; Sato, Tomohiro; Nakano, Yoko; Harada, Takunori; Tajima, Nobuo; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Novel Means of Controlling the Solid-State Circular Dichroism Property in a Supramolecular Organic Fluorophore Comprising 4-[2-(Methylphenyl)ethynyl]benzoic Acid by Varying the Position of the Methyl Substituent","Crystal Growth & Design","2012","12","4","1859","","10.1021/cg201496j","","","0.71075","MoKα","","0.0413","0.0391","","","0.1064","0.108","","","","","","1.103","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505903","31.7204","0.001","31.7204","0.001","13.7906","0.0006","90","","90","","90","","13875.9","0.9","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","tris(2,2'-bipyridine-4,4'-diamine)cadmium(II) chloride hydrate","","- C30 H35.5 Cd Cl2 N12 O2.75 -","- C30 H30 Cd Cl2 N12 O2.75 -","- C480 H480 Cd16 Cl32 N192 O44 -","16","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.0742","0.0524","","","0.1372","0.1546","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505904","21.842","0.002","13.315","0.0015","36.123","0.004","90","","113.986","0.007","90","","9598.3","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[tris(2,2'-bipyridine-4,4'-diamine)nickel(II)] diphenyl-4-carboxylate-4'-carboxylic acid diphenyl-4,4'-dicarboxylate","","- C51 H43 N12 Ni O6 -","- C51 H43 N12 Ni O6 -","- C204 H172 N48 Ni4 O24 -","4","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.1401","0.0865","","","0.2048","0.2258","","","","","","0.887","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505905","23.127","0.003","12.6717","0.0018","23.131","0.003","90","","105.523","0.005","90","","6531.5","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[tris(2,2'-bipyridine-4,4'-diamine)nickel(II)] diphenyl-4,4'-dicarboxylate dimethylformamide clathrate","","- C50 H52 N14 Ni O6 -","- C50 H52 N14 Ni O6 -","- C200 H208 N56 Ni4 O24 -","4","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.1515","0.0963","","","0.218","0.2369","","","","","","1.297","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505906","15.6484","0.0014","12.5861","0.001","27.588","0.002","90","","93.584","0.003","90","","5422.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[tris(2,2'-bipyridine-4,4'-diamine)nickel(II)] benzene-1,3-dicarboxylate-5-carboxylic acid dimethylformamide clathrate","","- C51 H62 N16 Ni O10 -","- C51 H62 N16 Ni O10 -","- C204 H248 N64 Ni4 O40 -","4","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.1598","0.0757","","","0.1575","0.1945","","","","","","1.01","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505907","13.494","0.0011","14.8619","0.0012","19.7828","0.0016","90","","97.864","0.004","90","","3930.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[tetra(2,2'-bipyridine-4,4'-diamine)(terepthalate)dicopper(II)] nitrate dimethylformamide clathrate","","- C63 H79 Cu2 N23 O15 -","- C63 H79 Cu2 N23 O15 -","- C126 H158 Cu4 N46 O30 -","2","0.5","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.0996","0.0715","","","0.2243","0.2513","","","","","","1.053","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505908","15.1668","0.0008","15.4442","0.0008","17.4682","0.001","100.105","0.002","91.346","0.002","119.165","0.001","3489.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[tetra(2,2'-bipyridine-4,4'-diamine)(terepthalate)dicopper(II)] nitrate dimethylformamide clathrate hydrate","","- C61.5 H73.5 Cu2 N22.5 O15.5 -","- C61.5 H72 Cu2 N22.5 O15.5 -","- C123 H144 Cu4 N45 O31 -","2","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.0896","0.0541","","","0.1417","0.1545","","","","","","0.936","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505909","10.7038","0.0007","34.312","0.002","20.5328","0.0011","90","","103.605","0.003","90","","7329.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[tris(2,2'-bipyridine-4,4'-diamine)(nitrato)cobalt(II)] nitrate dimethylformamide clathrate","","- C53.5 H71.5 Co2 N24.5 O16.5 -","- C53.5 H71.5 Co2 N24.5 O16.5 -","- C214 H286 Co8 N98 O66 -","4","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.1356","0.0987","","","0.2771","0.3102","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505910","11.0529","0.001","13.3248","0.001","13.3632","0.0008","100.674","0.006","94.942","0.006","99.9","0.007","1891","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H44 Ag3.52 Mo8 N14 Na0.48 O27 -","- C54 H42 Ag3.516 Mo8 N14 Na0.484 O27 -","- C54 H42 Ag3.516 Mo8 N14 Na0.484 O27 -","1","0.5","","Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","pH-Controlled Assembly of Two Unusual Entangled Motifs Based on a Tridentate Ligand and Octamolybdate Clusters: 1D + 1D →3D Poly-Pseudorotaxane and 2D →2D →3D Polycatenation","Crystal Growth & Design","2012","12","5","2272","","10.1021/cg201555f","","","1.54184","CuKα","","0.1131","0.0657","","","0.1549","0.1774","","","","","","0.905","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505911","13.0784","0.0003","15.6015","0.0006","18.7501","0.0007","69.258","0.003","85.174","0.002","73.439","0.002","3428.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H91 Ag6 Mo16 N28 O57 -","- C108 H88 Ag6 Mo16 N28 O57 -","- C108 H88 Ag6 Mo16 N28 O57 -","1","0.5","","Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","pH-Controlled Assembly of Two Unusual Entangled Motifs Based on a Tridentate Ligand and Octamolybdate Clusters: 1D + 1D →3D Poly-Pseudorotaxane and 2D →2D →3D Polycatenation","Crystal Growth & Design","2012","12","5","2272","","10.1021/cg201555f","","","0.71073","MoKα","","0.0852","0.0367","","","0.0562","0.0612","","","","","","0.832","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505912","7.746","0.007","12.245","0.011","11.243","0.01","90","","109.523","0.001","90","","1005.1","1.6","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","'2,2'-dihydroxybenzophenone","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.71073","MoKα","","0.0608","0.0578","","","","0.1585","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505913","7.211","0.003","19.098","0.009","7.513","0.003","90","","92.835","0.007","90","","1033.4","0.8","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4-dihydroxybenzophenone","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.71073","MoKα","","0.0464","0.0435","","","","0.1227","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505914","8.879","0.007","8.56","0.006","10.304","0.008","90","","109.644","0.011","90","","737.6","1","180","2","180","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,13-diaza-18-crown-6","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","0.5","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.71073","MoKα","","0.0799","0.0717","","","","0.1995","","","","","","1.11","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505915","8.1924","0.0003","10.0165","0.0003","11.7164","0.0005","106.969","0.002","94.936","0.002","90.313","0.002","915.7","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,2'-dihydroxybenzophenone, 4,13-diaza-18-crown-6","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","1","0.5","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.7107","MoKα","","0.0818","0.0434","","","0.0986","0.113","","","","","","1.051","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505916","9.7905","0.0007","9.9569","0.0008","10.8028","0.0009","63.925","0.004","72.701","0.004","87.72","0.004","898.03","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,4-dihydroxybenzophenone, 4,13-diaza-18-crown-6","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","1","0.5","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.7107","MoKα","","0.0963","0.0501","","","0.1117","0.1325","","","","","","1.038","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505917","8.6935","0.0002","10.306","0.0002","15.8548","0.0002","90.4906","0.0011","104.433","0.0011","111.062","0.0009","1276.19","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","4,4'-dihydroxybenzophenone, 4,13-diaza-18-crown-6","","- C25 H36 N2 O7 -","- C25 H36 N2 O7 -","- C50 H72 N4 O14 -","2","1","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.7107","MoKα","","0.0548","0.0387","","","0.0908","0.0991","","","","","","1.031","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505918","10.769","0.005","31.913","0.005","17.493","0.005","90","0.005","90.805","0.005","90","0.005","6011","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H43 Ag7 N8 O22 -","- C63 H43 Ag7 N8 O22 -","- C252 H172 Ag28 N32 O88 -","4","1","","Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis","Crystal Growth & Design","2012","12","5","2288","","10.1021/cg2015644","","","0.71069","MoKα","","0.0448","0.0341","","","0.0679","0.0726","","","","","","1.058","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505919","9.978","0.005","15.705","0.005","16.4","0.005","91.537","0.005","100.822","0.005","106.832","0.005","2407.1","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H33 Cd3 N8 Na O16 -","- C47 H33 Cd3 N8 Na O16 -","- C94 H66 Cd6 N16 Na2 O32 -","2","1","","Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis","Crystal Growth & Design","2012","12","5","2288","","10.1021/cg2015644","","","0.71069","MoKα","","0.0996","0.0589","","","0.1032","0.1207","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505920","8.548","0.005","19.599","0.005","20.74","0.005","108.107","0.005","95.042","0.005","96.301","0.005","3255","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H53 Cd3 N16 O19.5 -","- C62 H53 Cd3 N16 O19.5 -","- C124 H106 Cd6 N32 O39 -","2","1","","Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis","Crystal Growth & Design","2012","12","5","2288","","10.1021/cg2015644","","","0.71069","MoKα","","0.089","0.0492","","","0.0852","0.1002","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505921","13.424","0.005","15.123","0.005","15.702","0.005","79.627","0.005","75.548","0.005","80.163","0.005","3009.7","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H47 Cd3 N16 O16.5 -","- C62 H47 Cd3 N16 O16.5 -","- C124 H94 Cd6 N32 O33 -","2","1","","Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis","Crystal Growth & Design","2012","12","5","2288","","10.1021/cg2015644","","","0.71069","MoKα","","0.0815","0.0469","","","0.072","0.0847","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505922","8.867","0.0018","10.512","0.002","11.51","0.002","81.57","0.03","81.38","0.03","66.73","0.03","969.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N6 O7 -","- C16 H20 Co N6 O7 -","- C32 H40 Co2 N12 O14 -","2","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0281","0.0254","","","0.0639","0.0651","","","","","","1.056","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505923","8.444","0.0017","10.685","0.002","11.195","0.002","85.47","0.03","81.33","0.03","67.78","0.03","924.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Co N5 O7 -","- C16 H19 Co N5 O7 -","- C32 H38 Co2 N10 O14 -","2","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0865","0.0646","","","0.1078","0.1148","","","","","","1.06","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505924","8.444","0.0017","10.685","0.002","11.195","0.002","85.47","0.03","81.33","0.03","67.78","0.03","924.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N5 Ni O7 -","- C16 H19 N5 Ni O7 -","- C32 H38 N10 Ni2 O14 -","2","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0747","0.0536","","","0.0972","0.1038","","","","","","0.981","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505925","7.489","0.0015","7.923","0.0016","12.346","0.003","86.9","0.03","83.76","0.03","76.95","0.03","709.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cd N10 O6 -","- C28 H26 Cd N10 O6 -","- C28 H26 Cd N10 O6 -","1","0.5","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0413","0.0396","","","0.0974","0.0986","","","","","","0.988","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505926","20.193","0.004","13.758","0.003","7.21","0.0014","90","","90","","90","","2003","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 Co N5 O8 -","- C16 H21 Co N5 O8 -","- C64 H84 Co4 N20 O32 -","4","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0906","0.0745","","","0.1612","0.1684","","","","","","1.194","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505927","14.52","0.003","7.166","0.0014","15.901","0.003","90","","97.63","0.03","90","","1639.9","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H13 N5 O4 Zn -","- C16 H13 N5 O4 Zn -","- C64 H52 N20 O16 Zn4 -","4","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0506","0.0365","","","0.0807","0.0838","","","","","","0.994","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505928","12.599","0.003","7.68","0.0015","14.33","0.003","90","","94.19","0.03","90","","1382.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N5 O3 Zn -","- C14 H12 N5 O3 Zn -","- C56 H48 N20 O12 Zn4 -","4","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0472","0.0395","","","0.0904","0.0941","","","","","","1.024","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505929","7.6017","0.0016","9.873","0.002","12.05","0.003","91.991","0.004","93.712","0.004","96.626","0.004","895.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Mn N6 O5 -","- C17 H12 Mn N6 O5 -","- C34 H24 Mn2 N12 O10 -","2","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0502","0.046","","","0.1264","0.1292","","","","","","1.073","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505930","11.841","0.004","15.942","0.006","13.104","0.004","90","","102.542","0.007","90","","2414.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N6 O7 Zn2 -","- C23 H15 N6 O7 Zn2 -","- C92 H60 N24 O28 Zn8 -","4","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0866","0.0615","","","0.1479","0.1575","","","","","","1.029","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505931","13.4051","0.0013","11.8197","0.0012","20.186","0.0015","90","","127.807","0.004","90","","2527","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H26 Co N6 O7 -","- C25 H20 Co N6 O7 -","- C100 H80 Co4 N24 O28 -","4","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0881","0.0605","","","0.1179","0.1282","","","","","","1.01","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505932","13.4","0.002","12.5628","0.0017","14.279","0.003","90","","107.719","0.007","90","","2289.7","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ni(B)(1,4-PBA)]","","- C25 H20 N6 Ni O4 -","- C25 H20 N6 Ni O4 -","- C100 H80 N24 Ni4 O16 -","4","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71075","MoKα","","0.0421","0.0346","","","0.0816","0.084","","","","","","1.08","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505933","8.6962","0.001","9.3262","0.0011","15.8629","0.0019","74.271","0.002","75.232","0.002","80.071","0.002","1190","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Co N6 O6 -","- C25 H20 Co N6 O6 -","- C50 H40 Co2 N12 O12 -","2","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0477","0.043","","","0.1256","0.1286","","","","","","1.089","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505934","8.4623","0.0009","21.721","0.002","29.534","0.003","90","","90","","90","","5428.6","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Co2 N6 O6 -","- C30 H23 Co2 N6 O6 -","- C240 H184 Co16 N48 O48 -","8","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0487","0.0388","","","0.0947","0.0972","","","","","","1.023","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505935","16.083","0.005","9.929","0.003","19.757","0.006","90","","99.919","0.006","90","","3107.8","1.6","230","2","230","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","2","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.1933","0.07","","","0.1615","0.224","","","","","","0.84","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505936","9.1235","0.0009","15.5263","0.0016","17.465","0.002","90","","99.508","0.003","90","","2440","0.4","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cl6 N10 O2 Pd3 -","- C38 H50 Cl6 N10 O2 Pd3 -","- C76 H100 Cl12 N20 O4 Pd6 -","2","0.5","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0368","0.0282","","","0.0812","0.0986","","","","","","1.194","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505937","11.949","0.003","26.138","0.006","16.17","0.003","90","","102.883","0.012","90","","4923.1","1.9","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H43 B3 F12 N10 Pd3 -","- C36 H43 B3 F12 N10 Pd3 -","- C144 H172 B12 F48 N40 Pd12 -","4","1","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0984","0.0595","","","0.1556","0.1778","","","","","","0.927","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505938","10.0566","0.0004","14.3393","0.0005","20.4904","0.0005","79.761","0.002","89.847","0.002","73.098","0.002","2778.38","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H66 B3 F12 N10 O1.5 Pd3 -","- C47 H66 B3 F12 N10 O1.5 Pd3 -","- C94 H132 B6 F24 N20 O3 Pd6 -","2","1","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0455","0.0331","","","0.0683","0.0739","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505939","12.143","0.0005","12.948","0.0005","21.062","0.0008","88.99","0.002","81.93","0.002","81.516","0.002","3242.8","0.2","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H57 Cl6 Co3 N15 O5 -","- C39 H57 Cl6 Co3 N15 O5 -","- C78 H114 Cl12 Co6 N30 O10 -","2","1","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0683","0.0487","","","0.1408","0.1551","","","","","","0.831","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505940","21.9957","0.0013","12.939","0.0006","25.1838","0.0015","90","","113.445","0.003","90","","6575.6","0.6","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 N22 Ni2 O20 -","- C48 H78 N22 Ni2 O20 -","- C192 H312 N88 Ni8 O80 -","4","1","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.1611","0.0664","","","0.1556","0.2037","","","","","","0.932","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505941","10.1334","0.0012","13.8385","0.0006","13.9286","0.0006","115.96","0.004","95.722","0.005","103.508","0.005","1661.4","0.2","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H73 N19 Ni2 O17 -","- C47 H73 N19 Ni2 O17 -","- C47 H73 N19 Ni2 O17 -","1","0.5","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0926","0.0689","","","0.2109","0.2351","","","","","","1.101","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505942","11.8548","0.0006","22.3888","0.001","19.324","0.0009","90","","103.487","0.003","90","","4987.4","0.4","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N16 O14 Zn2 -","- C30 H36 N16 O14 Zn2 -","- C120 H144 N64 O56 Zn8 -","4","0.5","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0615","0.0436","","","0.1098","0.1185","","","","","","0.96","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505943","24.4659","0.0019","10.4265","0.0007","17.4828","0.001","90","","91.497","0.005","90","","4458.2","0.5","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Ag2 F4 N10 O4.5 P2 -","- C26 H26 Ag2 F4 N10 O4.5 P2 -","- C104 H104 Ag8 F16 N40 O18 P8 -","4","0.5","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0883","0.0644","","","0.2005","0.2173","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505944","25.9645","0.0005","22.234","0.0004","18.8042","0.0003","90","","92.098","0.001","90","","10848.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H102 Cd7 N16 O34 -","- C90 H88 Cd7 N16 O34 -","- C360 H352 Cd28 N64 O136 -","4","1","","Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Liu, Hui-Jin; Zhong, Jin-Lian; Wang, Ke-Jun; Lu, Tong-Bu","Two Cadmium-Cluster-Based Metal‒Organic Frameworks with Mixed Ligands of 1,2,3-Benzenetriazole (HBTA) and 1,4-Benzenedicarboxylic acid (H2BDC)","Crystal Growth & Design","2012","12","4","1992","","10.1021/cg2016963","","","0.71073","MoKα","","0.0647","0.045","","","0.1551","0.1817","","","","","","1.061","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505945","24.1035","0.0006","24.512","0.0007","16.857","0.0005","90","","124.65","0.001","90","","8193.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H80 Cd5 N24 O17 -","- C70 H74 Cd5 N24 O17 -","- C280 H296 Cd20 N96 O68 -","4","0.5","","Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Liu, Hui-Jin; Zhong, Jin-Lian; Wang, Ke-Jun; Lu, Tong-Bu","Two Cadmium-Cluster-Based Metal‒Organic Frameworks with Mixed Ligands of 1,2,3-Benzenetriazole (HBTA) and 1,4-Benzenedicarboxylic acid (H2BDC)","Crystal Growth & Design","2012","12","4","1992","","10.1021/cg2016963","","","0.71073","MoKα","","0.0383","0.0345","","","0.0854","0.0941","","","","","","1.101","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505946","9.9436","0.0003","21.1136","0.0005","7.2741","0.0003","90","","106.716","0.003","90","","1462.63","0.09","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 Cu O9 P2 -","- C8 Cu O9 P2 -","- C32 Cu4 O36 P8 -","4","1","","Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo; Sangregorio, Claudio; Sorace, Lorenzo; Castelli, Lisa","Influence of π‒π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study","Crystal Growth & Design","2012","12","5","2327","","10.1021/cg201706p","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.09453","","4.04","","","","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505947","7.7249","0.00034","7.93093","0.00025","17.7798","0.0004","100.146","0.0033","91.0311","0.0027","106.192","0.0028","1027.12","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 Cu N2 O8 P2 -","- C18 Cu N2 O8 P2 -","- C36 Cu2 N4 O16 P4 -","2","1","","Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo; Sangregorio, Claudio; Sorace, Lorenzo; Castelli, Lisa","Influence of π‒π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study","Crystal Growth & Design","2012","12","5","2327","","10.1021/cg201706p","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.1346","","4.97","","","","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505948","8.5677","0.0005","8.8858","0.0007","13.8837","0.0006","87.271","0.006","79.774","0.004","65.615","0.004","947.01","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 Cu N2 O6 P2 -","- C18 Cu N2 O6 P2 -","- C36 Cu2 N4 O12 P4 -","2","1","","Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo; Sangregorio, Claudio; Sorace, Lorenzo; Castelli, Lisa","Influence of π‒π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study","Crystal Growth & Design","2012","12","5","2327","","10.1021/cg201706p","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.08313","","4.54","","","","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505949","16.6996","0.0003","11.1387","0.0002","11.4147","0.0001","90","","96.071","0.002","90","","2111.36","0.06","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 Cu N2 O8 P2 -","- C18 Cu N2 O8 P2 -","- C72 Cu4 N8 O32 P8 -","4","1","","Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo; Sangregorio, Claudio; Sorace, Lorenzo; Castelli, Lisa","Influence of π‒π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study","Crystal Growth & Design","2012","12","5","2327","","10.1021/cg201706p","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05496","","2.5","","","","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505950","11.316","0.0003","17.8157","0.0005","7.1635","0.0002","90","","118.972","0.001","90","","1263.45","0.06","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H15 Gd O12 -","- C9 H15 Gd O12 -","- C36 H60 Gd4 O48 -","4","1","","Davies, Kate; Bourne, Susan A.; Oliver, Clive L.","Solvent- and Vapor-Mediated Solid-State Transformations in 1,3,5-Benzenetricarboxylate Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","4","1999","","10.1021/cg201707e","","","0.71073","MoKα","","0.0263","0.0243","","","0.0544","0.0558","","","","","","1.076","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505951","9.4732","0.0019","16.447","0.003","12.033","0.003","90","","95.48","0.004","90","","1866.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cd N3 O6 -","- C18 H19 Cd N3 O6 -","- C72 H76 Cd4 N12 O24 -","4","1","","Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture","Crystal Growth & Design","2012","12","4","2004","","10.1021/cg201708x","","","0.71073","MoKα","","0.0415","0.035","","","0.0838","0.0878","","","","","","0.869","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505952","12.395","0.003","12.876","0.003","16.525","0.004","74.44","0.004","74.126","0.006","88.73","0.006","2440.1","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cd Cl2 N3 O4 -","- C24 H19 Cd Cl2 N3 O4 -","- C96 H76 Cd4 Cl8 N12 O16 -","4","2","","Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture","Crystal Growth & Design","2012","12","4","2004","","10.1021/cg201708x","","","0.71073","MoKα","","0.0942","0.0798","","","0.1978","0.2081","","","","","","1.11","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505953","19.301","0.003","12.677","0.002","19.591","0.003","90","","115.071","0.003","90","","4341.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H100 Cd3 N6 O12 -","- C86 H100 Cd3 N6 O12 -","- C172 H200 Cd6 N12 O24 -","2","0.5","","Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture","Crystal Growth & Design","2012","12","4","2004","","10.1021/cg201708x","","","0.71073","MoKα","","0.0644","0.0555","","","0.1334","0.138","","","","","","1.236","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505954","11.443","0.004","9.828","0.003","19.074","0.007","90","","107.249","0.006","90","","2048.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cd N3 O10 -","- C15 H24 Cd N3 O10 -","- C60 H96 Cd4 N12 O40 -","4","1","","Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture","Crystal Growth & Design","2012","12","4","2004","","10.1021/cg201708x","","","0.71073","MoKα","","0.087","0.0674","","","0.1526","0.1617","","","","","","1.249","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505955","15.7365","0.0003","21.1555","0.0004","27.1871","0.0005","90","","91.863","0.0007","90","","9046.2","0.3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cu6 N48 O8 W4 -","- C64 H32 Cu6 N48 O8 W4 -","- C256 H128 Cu24 N192 O32 W16 -","4","1","","Yamada, Ryo; Tokoro, Hiroko; Ozaki, Noriaki; Ohkoshi, Shin-ichi","Magnetic Dimensional Crossover from Two- to Three-Dimensional Heisenberg Magnetism in a Cu‒W Cyano-Bridged Bimetal Assembly","Crystal Growth & Design","2012","12","4","2013","","10.1021/cg201710s","","","0.71075","MoKα","","","0.045","","","","0.0965","","","","","","1.032","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505956","18.4785","0.0009","8.6316","0.0004","20.99","0.001","90","","105.892","0.002","90","","3219.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-iodoacetatylamphotercin B","","","- C61 H100 I N O22 -","- C61 H100 I N O22 -","- C122 H200 I2 N2 O44 -","2","1","","Jarzembska, Katarzyna N.; Kamiński, Daniel; Hoser, Anna A.; Malińska, Maura; Senczyna, Bogusław; Woźniak, Krzysztof; Gagoś, Mariusz","Controlled Crystallization, Structure, and Molecular Properties of Iodoacetylamphotericin B","Crystal Growth & Design","2012","12","5","2336","","10.1021/cg2017227","","","0.71073","MoKα","","0.0707","0.0616","","","0.1771","0.1857","","","","","","1.047","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505957","7.418","0.0006","8.2144","0.0006","28.77","0.002","90","","97.099","0.007","90","","1739.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl2 N2 O2 -","- C19 H15 Cl2 N2 O2 -","- C76 H60 Cl8 N8 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1231","0.0892","","","0.1922","0.2088","","","","","","1.127","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505958","7.9109","0.0003","11.1289","0.0004","18.118","0.0007","81.943","0.003","80.424","0.004","88.809","0.003","1557.34","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cl4 N4 O4 -","- C32 H32 Cl4 N4 O4 -","- C64 H64 Cl8 N8 O8 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.117","0.0687","","","0.155","0.1767","","","","","","1.03","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505959","14.675","0.004","7.1318","0.0015","18.605","0.006","90","","110.73","0.03","90","","1821.1","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl2 N3 O2 -","- C19 H17 Cl2 N3 O2 -","- C76 H68 Cl8 N12 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.091","0.0459","","","0.111","0.1228","","","","","","0.919","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505960","16.227","0.004","8.477","0.0015","15.686","0.004","90","","116.18","0.03","90","","1936.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N3 O3 -","- C19 H19 Cl2 N3 O3 -","- C76 H76 Cl8 N12 O12 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.0897","0.0609","","","0.1494","0.1606","","","","","","1.043","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505961","8.5209","0.0011","8.8775","0.0011","9.1986","0.0012","104.265","0.002","103.337","0.002","91.569","0.002","653.56","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl2 N O2 -","- C14 H10 Cl2 N O2 -","- C28 H20 Cl4 N2 O4 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1165","0.1106","","","0.2171","0.2193","","","","","","1.209","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505962","7.5327","0.0013","31.313","0.005","9.601","0.003","90","","121.439","0.016","90","","1932.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N3 O3 -","- C20 H17 Cl2 N3 O3 -","- C80 H68 Cl8 N12 O12 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1287","0.0567","","","0.1339","0.1547","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505963","16.137","0.004","8.4889","0.0015","15.596","0.003","90","","114.94","0.03","90","","1937.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl2 N3 O3 -","- C18 H23 Cl2 N3 O3 -","- C72 H92 Cl8 N12 O12 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1368","0.0868","","","0.214","0.254","","","","","","1.046","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505964","16.3805","0.0013","8.3717","0.0005","14.4609","0.0011","90","","102.347","0.008","90","","1937.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl2 N3 O2 -","- C18 H21 Cl2 N3 O2 -","- C72 H84 Cl8 N12 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1676","0.0641","","","0.1547","0.1851","","","","","","0.933","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505965","7.929","0.003","8.168","0.003","28.381","0.015","90","","90","","90","","1838.1","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl2 N3 O2 -","- C18 H21 Cl2 N3 O2 -","- C72 H84 Cl8 N12 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1536","0.0597","","","0.0543","0.0663","","","","","","0.865","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505966","8.566","0.003","8.968","0.003","9.378","0.003","103.09","0.006","103.194","0.006","92.538","0.006","679.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl2 N O2 -","- C14 H10 Cl2 N O2 -","- C28 H20 Cl4 N2 O4 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1035","0.0833","","","0.1809","0.191","","","","","","1.122","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505967","9.6661","0.0006","13.7006","0.0008","14.1184","0.0009","61.028","0.003","79.631","0.004","81.904","0.004","1605.89","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gunn, Erica; Guzei, Ilia A.; Cai, Ting; Yu, Lian","Polymorphism of Nifedipine: Crystal Structure and Reversible Transition of the Metastable β Polymorph","Crystal Growth & Design","2012","12","4","2037","","10.1021/cg3000075","","","0.71073","MoKα","","0.0763","0.0439","","","0.0951","0.1085","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505968","9.84","0.003","13.807","0.004","14.206","0.004","61.39","0.019","79.76","0.02","81.99","0.02","1664.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gunn, Erica; Guzei, Ilia A.; Cai, Ting; Yu, Lian","Polymorphism of Nifedipine: Crystal Structure and Reversible Transition of the Metastable β Polymorph","Crystal Growth & Design","2012","12","4","2037","","10.1021/cg3000075","","","0.71073","MoKα","","0.1358","0.0547","","","0.1263","0.1602","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505969","13.7487","0.0015","14.0692","0.0015","25.898","0.003","91.285","0.005","97.785","0.005","101.207","0.005","4862.6","0.9","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H48 Al26 Na2 O167 S16 -","- C80 H48 Al26 Na2 O167 S16 -","- C80 H48 Al26 Na2 O167 S16 -","1","0.5","","Abeysinghe, Samangi; Unruh, Daniel K.; Forbes, Tori Z.","Crystallization of Keggin-Type Polyaluminum Species by Supramolecular Interactions with Disulfonate Anions","Crystal Growth & Design","2012","12","4","2044","","10.1021/cg3000087","","","0.71073","MoKα","","0.2258","0.0917","","","0.2131","0.2996","","","","","","1.047","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505970","15.6751","0.0017","17.9295","0.0019","19.711","0.002","111.216","0.005","112.494","0.005","93.962","0.005","4630.7","0.9","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Al26 O114 S12 -","- C60 H36 Al26 O113.94 S12 -","- C60 H36 Al26 O113.94 S12 -","1","0.5","","Abeysinghe, Samangi; Unruh, Daniel K.; Forbes, Tori Z.","Crystallization of Keggin-Type Polyaluminum Species by Supramolecular Interactions with Disulfonate Anions","Crystal Growth & Design","2012","12","4","2044","","10.1021/cg3000087","","","0.71073","MoKα","","0.234","0.1027","","","0.2619","0.293","","","","","","0.958","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505971","18.5018","0.0012","18.5823","0.0012","19.7363","0.0011","63.414","0.002","63.64","0.002","61.977","0.002","5116.4","0.6","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H42 Al30 Cl2 O172 S16 -","- C80 H42 Al30 Cl2 O171.98 S16 -","- C80 H42 Al30 Cl2 O171.98 S16 -","1","0.5","","Abeysinghe, Samangi; Unruh, Daniel K.; Forbes, Tori Z.","Crystallization of Keggin-Type Polyaluminum Species by Supramolecular Interactions with Disulfonate Anions","Crystal Growth & Design","2012","12","4","2044","","10.1021/cg3000087","","","0.71073","MoKα","","0.1375","0.0954","","","0.2513","0.2881","","","","","","1.051","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505972","9.9647","0.0002","11.1184","0.0003","31.762","0.0008","90","","103.568","0.001","90","","3420.75","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl3 N7 O4 S3 -","- C27 H38 Cl3 N7 O4 S3 -","- C108 H152 Cl12 N28 O16 S12 -","4","1","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Cyclic Pentameric Puckered Hybrid Chloride‒Water Cluster [Cl3(H2O)4]3‒in the Hydrophobic Architecture","Crystal Growth & Design","2012","12","5","2153","","10.1021/cg3000119","","","0.71073","MoKα","","0.0452","0.0339","","","0.0497","0.0508","","","","","","0.921","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505973","6.6833","0.0015","8.6783","0.0019","17.82","0.004","90","","90","","90","","1033.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C40 H28 Mn4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0938","0.0516","","","0.0756","0.0923","","","","","","0.982","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505974","6.69","0.003","8.682","0.004","17.825","0.008","90","","90","","90","","1035.3","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C40 H28 Mn4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0919","0.0511","","","0.0668","0.0788","","","","","","1.008","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505975","6.7085","0.0007","8.6142","0.0009","22.1516","0.0019","90","","102.106","0.003","90","","1251.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cd3 N6 O13 -","- C20 H18 Cd3 N6 O13 -","- C40 H36 Cd6 N12 O26 -","2","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0422","0.0303","","","0.0608","0.0676","","","","","","1.045","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505976","6.7642","0.001","9.543","0.0014","16.524","0.002","90","","90","","90","","1066.6","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Ca N3 O5 -","- C10 H7 Ca N3 O5 -","- C40 H28 Ca4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0377","0.0336","","","0.0787","0.0813","","","","","","1.048","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505977","6.7491","0.0014","9.538","0.0019","16.526","0.003","90","","90","","90","","1063.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Ca N3 O5 -","- C10 H7 Ca N3 O5 -","- C40 H28 Ca4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0285","0.0264","","","0.0653","0.0666","","","","","","1.048","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505978","5.6549","0.0001","22.9356","0.0003","15.8278","0.0003","90","","94.422","0.001","90","","2046.73","0.06","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H21 Cd N2 O6 P -","- C19 H21 Cd N2 O6 P -","- C76 H84 Cd4 N8 O24 P4 -","4","1","","Dong, Li-Jie; Zhao, Cui-Cui; Xu, Xiang; Du, Zi-Yi; Xie, Yong-Rong; Zhang, Jian","Temperature-Dependent Crystal Self-Assembly, Disassembly, and Reassembly Among Three Cadmium(II) Carboxylate-Phosphinates","Crystal Growth & Design","2012","12","4","2052","","10.1021/cg300029d","","","0.71073","MoKα","","0.0302","0.028","","","0.0605","0.0614","","","","","","1.023","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505979","16.2587","0.0003","8.5835","0.0001","13.2797","0.0002","90","","99.025","0.001","90","","1830.33","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cd N2 O4 P -","- C19 H17 Cd N2 O4 P -","- C76 H68 Cd4 N8 O16 P4 -","4","1","","Dong, Li-Jie; Zhao, Cui-Cui; Xu, Xiang; Du, Zi-Yi; Xie, Yong-Rong; Zhang, Jian","Temperature-Dependent Crystal Self-Assembly, Disassembly, and Reassembly Among Three Cadmium(II) Carboxylate-Phosphinates","Crystal Growth & Design","2012","12","4","2052","","10.1021/cg300029d","","","0.71073","MoKα","","0.0345","0.0265","","","0.0592","0.0625","","","","","","1.041","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505980","26.5549","0.0005","8.6685","0.0001","15.4282","0.0003","90","","120.51","0.001","90","","3059.71","0.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cd2 N2 O9 P2 -","- C28 H26 Cd2 N2 O9 P2 -","- C112 H104 Cd8 N8 O36 P8 -","4","0.5","","Dong, Li-Jie; Zhao, Cui-Cui; Xu, Xiang; Du, Zi-Yi; Xie, Yong-Rong; Zhang, Jian","Temperature-Dependent Crystal Self-Assembly, Disassembly, and Reassembly Among Three Cadmium(II) Carboxylate-Phosphinates","Crystal Growth & Design","2012","12","4","2052","","10.1021/cg300029d","","","0.71073","MoKα","","0.027","0.024","","","0.0604","0.0628","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4505981","18.795","0.012","18.795","0.012","9.1","0.008","90","","90","","90","","3215","4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H14 Cd N4 O5 -","- C14 H14 Cd N4 O5 -","- C112 H112 Cd8 N32 O40 -","8","1","","Li, Dong-Sheng; Zhang, Peng; Zhao, Jun; Fang, Zi-Fan; Du, Miao; Zou, Kun; Mu, Yi-Qiang","Two Unique Entangling CdII-Coordination Frameworks Constructed by Square Cd4-Building Blocks and Auxiliary N,N′-Donor Ligands","Crystal Growth & Design","2012","12","4","1697","","10.1021/cg300036y","","","0.71073","MoKα","","0.0344","0.0332","","","0.0814","0.0827","","","","","","1.048","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505982","9.7939","0.0007","21.688","0.0017","27.677","0.002","90","","90","","90","","5878.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cd2 N6 O9 -","- C26 H22 Cd2 N6 O9 -","- C208 H176 Cd16 N48 O72 -","8","1","","Li, Dong-Sheng; Zhang, Peng; Zhao, Jun; Fang, Zi-Fan; Du, Miao; Zou, Kun; Mu, Yi-Qiang","Two Unique Entangling CdII-Coordination Frameworks Constructed by Square Cd4-Building Blocks and Auxiliary N,N′-Donor Ligands","Crystal Growth & Design","2012","12","4","1697","","10.1021/cg300036y","","","0.71073","MoKα","","0.0502","0.0424","","","0.0963","0.1007","","","","","","1.017","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505983","7.3783","0.0017","13.0129","0.0019","14.9959","0.0018","107.94","0.012","103.901","0.015","93.989","0.015","1313.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cd2 N12 O24 -","- C48 H48 Cd2 N12 O24 -","- C48 H48 Cd2 N12 O24 -","1","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.0456","0.036","","","0.0934","0.0968","","","","","","1.067","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505984","12.7105","0.0002","15.6823","0.0002","19.4729","0.0003","90","","101.276","0.002","90","","3806.6","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H86 Cd2 F12 N14 O20 Si2 -","- C62 H86 Cd2 F12 N14 O20 Si2 -","- C124 H172 Cd4 F24 N28 O40 Si4 -","2","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","1.54178","CuKα","","0.0432","0.0364","","","0.0908","0.0989","","","","","","1.03","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505985","8.9845","0.0003","12.576","0.0006","14.3161","0.0006","67.106","0.004","80.345","0.003","71.35","0.004","1410.15","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Cd Cl2 N8 O20 -","- C44 H36 Cd Cl2 N8 O20 -","- C44 H36 Cd Cl2 N8 O20 -","1","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.0932","0.0761","","","0.2347","0.2453","","","","","","1.031","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505986","9.5972","0.0004","11.831","0.0006","13.0406","0.0004","102.587","0.003","95.215","0.003","107.603","0.004","1357.73","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 Cd F6 N8 O16 S2 -","- C54 H48 Cd F6 N8 O16 S2 -","- C54 H48 Cd F6 N8 O16 S2 -","1","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.063","0.046","","","0.1197","0.125","","","","","","1.004","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505987","6.8091","0.0004","10.9815","0.0007","15.5769","0.001","98.267","0.005","102.055","0.005","96.478","0.005","1114.88","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cd N10 O10 S2 -","- C46 H36 Cd N10 O10 S2 -","- C46 H36 Cd N10 O10 S2 -","1","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","1.54178","CuKα","","0.0328","0.0303","","","0.0785","0.0794","","","","","","1.026","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505988","18.0816","0.001","9.8335","0.0005","25.7919","0.0006","90","","105.674","0.005","90","","4415.4","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 Cd N6 O12 S2 -","- C42 H44 Cd N6 O12 S2 -","- C168 H176 Cd4 N24 O48 S8 -","4","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.0755","0.0519","","","0.1459","0.1561","","","","","","1.008","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505989","9.7329","0.0005","12.0003","0.0006","25.0949","0.0013","77.713","0.004","83.216","0.004","72.719","0.004","2729.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 Cd N8 O14 S2 -","- C58 H46 Cd N8 O14 S2 -","- C116 H92 Cd2 N16 O28 S4 -","2","1","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.1327","0.0566","","","0.1047","0.1137","","","","","","1.009","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505990","25.5812","0.0006","13.7824","0.0003","13.6089","0.0004","90","","97.767","0.001","90","","4754.1","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cd3 Cl6 N8 O11 -","- C44 H32 Cd3 Cl6 N8 O11 -","- C176 H128 Cd12 Cl24 N32 O44 -","4","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.0298","0.0258","","","0.102","0.1284","","","","","","1.033","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505991","12.701","0.005","7.34","0.005","39.243","0.005","90","","90","","90","","3658","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cd O6 -","- C21 H16 Cd O6 -","- C168 H128 Cd8 O48 -","8","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0676","0.0416","","","0.0665","0.0731","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505992","6.5428","0.0006","13.4439","0.0013","22.2129","0.0016","101.771","0.007","92.372","0.007","100.63","0.008","1873.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cd Na2 O11 -","- C42 H28 Cd Na2 O11 -","- C84 H56 Cd2 Na4 O22 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0801","0.0379","","","0.0686","0.0733","","","","","","0.778","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505993","10.1491","0.0007","11.2091","0.0007","12.6834","0.0007","103.803","0.005","105.73","0.006","95.165","0.006","1330.15","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Cd N2 O5 -","- C33 H22 Cd N2 O5 -","- C66 H44 Cd2 N4 O10 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0572","0.0305","","","0.0361","0.0381","","","","","","0.641","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505994","9.9307","0.001","11.8889","0.001","12.7078","0.0013","79.514","0.008","75.083","0.009","79.507","0.008","1411.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Cd N2 O7 -","- C33 H22 Cd N2 O7 -","- C66 H44 Cd2 N4 O14 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0639","0.0475","","","0.1054","0.1085","","","","","","0.899","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505995","10.426","0.005","14.228","0.005","15.195","0.005","101.07","0.005","100.043","0.005","92.132","0.005","2172.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Cd2 N4 O10.5 -","- C50 H38 Cd2 N4 O10.5 -","- C100 H76 Cd4 N8 O21 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0762","0.0435","","","0.0647","0.0772","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4505996","9.282","0.005","13.083","0.005","13.145","0.005","78.899","0.005","76.087","0.005","74.571","0.005","1479.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Cd N4 O7 -","- C31 H30 Cd N4 O7 -","- C62 H60 Cd2 N8 O14 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0541","0.0412","","","0.0812","0.0882","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505997","9.2554","0.0008","12.368","0.0011","13.2738","0.0011","75.178","0.008","85.892","0.007","75.422","0.008","1421.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 Co N4 O6 -","- C31 H30 Co N4 O6 -","- C62 H60 Co2 N8 O12 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.1045","0.0606","","","0.1287","0.149","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505998","13.655","0.005","8.902","0.005","21.908","0.005","90","","92.364","0.005","90","","2660.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cd N6 O5 -","- C28 H24 Cd N6 O5 -","- C112 H96 Cd4 N24 O20 -","4","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0657","0.0412","","","0.0767","0.087","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505999","22.0506","0.0008","13.8182","0.0005","7.1851","0.0003","90","","90.829","0.003","90","","2189.07","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cd N3 O5 -","- C25 H20 Cd N3 O5 -","- C100 H80 Cd4 N12 O20 -","4","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0836","0.0504","","","0.0832","0.095","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506000","9.467","0.005","10.099","0.005","13.961","0.005","77.044","0.005","72.448","0.005","85.341","0.005","1240.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Cd0.5 N3 O7 -","- C26 H23 Cd0.5 N3 O7 -","- C52 H46 Cd N6 O14 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0425","0.0382","","","0.0959","0.0994","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506001","9.4457","0.0005","9.863","0.0004","14.2574","0.0006","71.897","0.004","73.467","0.004","85.931","0.004","1210.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Co0.5 N3 O7 -","- C25 H24 Co0.5 N3 O7 -","- C50 H48 Co N6 O14 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0655","0.0526","","","0.1385","0.1502","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506002","10.344","0.0004","14.983","0.0006","15.682","0.0005","85.423","0.003","71.03","0.003","89.647","0.003","2290.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 Cd N9 O9 -","- C48 H44 Cd N9 O9 -","- C96 H88 Cd2 N18 O18 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0556","0.0398","","","0.0773","0.0848","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506003","4.4886","0.0008","15.7","0.003","18.55","0.003","82.203","0.002","85.751","0.002","83.013","0.002","1283.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N6 Pt S4 -","- C21 H15 N6 Pt S4 -","- C42 H30 N12 Pt2 S8 -","2","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia","Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents","Crystal Growth & Design","2012","12","5","2419","","10.1021/cg300064e","","","0.71073","MoKα","","0.0538","0.0374","","","0.0946","0.1018","","","","","","1.001","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506004","4.7256","0.0017","14.583","0.005","18.334","0.007","99.796","0.004","93.307","0.004","97.576","0.004","1230","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N6 Pt S4 -","- C21 H15 N6 Pt S4 -","- C42 H30 N12 Pt2 S8 -","2","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia","Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents","Crystal Growth & Design","2012","12","5","2419","","10.1021/cg300064e","","","0.71073","MoKα","","0.1255","0.0635","","","0.1245","0.1445","","","","","","1","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506005","7.3513","0.0015","26.591","0.005","12.663","0.003","90","","105.04","0.002","90","","2390.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N6 Pt S4 -","- C21 H15 N6 Pt S4 -","- C84 H60 N24 Pt4 S16 -","4","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia","Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents","Crystal Growth & Design","2012","12","5","2419","","10.1021/cg300064e","","","0.71073","MoKα","","0.0821","0.0529","","","0.1322","0.1454","","","","","","1.001","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506006","17.217","0.003","9.803","0.002","21.927","0.008","90","","123.42","0.02","90","","3088.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 Cd2 N18 O11 -","- C60 H70 Cd2 N18 O11 -","- C120 H140 Cd4 N36 O22 -","2","0.5","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.0653","0.053","","","0.149","0.1623","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506007","12.698","0.003","19.929","0.004","22.287","0.005","75.48","0.03","79.54","0.03","73.22","0.03","5191","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H114 Cd5 N18 O26 -","- C96 H102 Cd5 N18 O24 -","- C192 H204 Cd10 N36 O48 -","2","1","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.0618","0.0513","","","0.1334","0.1444","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506008","12.873","0.003","16.984","0.003","17.868","0.004","101.37","0.03","110.85","0.03","106.33","0.03","3305.5","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H122 Cd6 Cl0 N36 O31 -","- C120 H108 Cd6 N36 O31 -","- C120 H108 Cd6 N36 O31 -","1","0.5","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.0616","0.0502","","","0.1116","0.1191","","","","","","1.108","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506009","9.6398","0.0019","13.065","0.003","21.054","0.004","102.46","0.03","102.39","0.03","99.52","0.03","2465.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Cd2 Cl N18 O9 -","- C45 H45 Cd2 Cl N18 O9 -","- C90 H90 Cd4 Cl2 N36 O18 -","2","1","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.0611","0.0495","","","0.1268","0.1363","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506010","13.996","0.003","11.34","0.002","34.124","0.01","90","","106.94","0.03","90","","5181","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Cd2 N18 O12 -","- C46 H48 Cd2 N18 O12 -","- C184 H192 Cd8 N72 O48 -","4","1","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.1021","0.079","","","0.2464","0.2733","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506011","11.8293","0.0003","11.8293","0.0003","15.2015","0.0005","90","","90","","90","","2127.18","0.1","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 Co N4 O4 -","- C24 H18 Co N4 O4 -","- C96 H72 Co4 N16 O16 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0248","0.024","","","0.0675","0.0681","","","","","","1.065","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506012","16.1944","0.0012","13.3483","0.0006","10.8362","0.0007","90","","110.588","0.005","90","","2192.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H19 Co N4 O5.5 -","- C24 H18 Co N4 O5.5 -","- C96 H72 Co4 N16 O22 -","4","1","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0283","0.0263","","","0.0664","0.0676","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506013","11.775","0.0018","11.775","0.0018","15.111","0.003","90","","90","","90","","2095.1","0.6","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 N4 O4 Zn -","- C24 H18 N4 O4 Zn -","- C96 H72 N16 O16 Zn4 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0229","0.0219","","","0.0577","0.0583","","","","","","1.069","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506014","13.345","0.004","14.624","0.004","10.661","0.003","90","","90","","90","","2080.6","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 N4 O5 Zn -","- C24 H18 N4 O5 Zn -","- C96 H72 N16 O20 Zn4 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0352","0.0319","","","0.0776","0.0795","","","","","","1.122","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506015","16.185","0.007","13.588","0.005","11.01","0.004","90","","110.91","0.006","90","","2261.9","1.5","113","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H19 Mn N4 O5.5 -","- C24 H16 Mn N4 O5.5 -","- C96 H64 Mn4 N16 O22 -","4","1","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0557","0.042","","","0.0886","0.0953","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506016","9.928","0.005","13.554","0.007","17.063","0.009","85.114","0.011","84.884","0.011","80.51","0.013","2250","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 Mn2 N8 O10 -","- C49 H35 Mn2 N8 O9.99 -","- C98 H70 Mn4 N16 O19.98 -","2","1","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0999","0.0672","","","0.1547","0.1758","","","","","","1.062","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506017","17.7443","0.001","9.094","0.0005","22.8204","0.0016","90","","110.655","0.007","90","","3445.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H19 Ca4 N5 O17 -","- C31 H19 Ca4 N5 O17 -","- C124 H76 Ca16 N20 O68 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0721","0.0429","","","0.0769","0.0821","","","","","","0.821","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506018","11.355","0.005","7.443","0.003","18.452","0.009","90","","90","","90","","1559.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Ca N O5 -","- C7 H5 Ca N O5 -","- C56 H40 Ca8 N8 O40 -","8","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0379","0.0303","","","0.0863","0.0908","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506019","6.4463","0.0003","10.9728","0.0005","16.0996","0.0008","90","","99.775","0.005","90","","1122.26","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ca N2 O5 -","- C10 H10 Ca N2 O5 -","- C40 H40 Ca4 N8 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0783","0.0546","","","0.1421","0.1607","","","","","","1.111","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506020","6.211","0.001","6.9005","0.0009","18.285","0.003","90","","90","","90","","783.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 Ca N O5 -","- C7 H5 Ca N O5 -","- C28 H20 Ca4 N4 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0689","0.0365","","","0.0514","0.0556","","","","","","0.81","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506021","6.4275","0.0004","16.387","0.0012","10.9764","0.0009","90","","99.182","0.006","90","","1141.3","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ca N2 O5 -","- C10 H10 Ca N2 O5 -","- C40 H40 Ca4 N8 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0537","0.0436","","","0.1117","0.122","","","","","","1.077","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506022","18.5021","0.0005","18.5021","0.0005","11.901","0.0004","90","","90","","120","","3528.22","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H3 Ca N O4 -","- C7 H3 Ca N O4 -","- C126 H54 Ca18 N18 O72 -","18","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0286","0.0239","","","0.063","0.0659","","","","","","1.038","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506023","11.347","0.007","9.914","0.004","7.907","0.004","90","","104.489","0.006","90","","861.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Ca N O5 -","- C7 H5 Ca N O5 -","- C28 H20 Ca4 N4 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0414","0.0375","","","0.0977","0.1013","","","","","","1.084","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506024","12.0501","0.0003","13.9638","0.0003","14.7073","0.0003","98.257","0.002","111.863","0.002","107.785","0.002","2092.18","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 Ca3 N7 O16 -","- C33 H37 Ca3 N7 O16 -","- C66 H74 Ca6 N14 O32 -","2","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0499","0.0437","","","0.1294","0.1357","","","","","","1.048","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506025","10.2526","0.0003","12.6758","0.0003","7.5294","0.0003","90","","106.324","0.004","90","","939.07","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H7 Ca N O6 -","- C7 H7 Ca N O6 -","- C28 H28 Ca4 N4 O24 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0495","0.0451","","","0.1162","0.1228","","","","","","1.081","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506026","10.1612","0.0002","7.4778","0.0001","13.2585","0.0003","90","","90.426","0.002","90","","1007.4","0.03","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cu2 N2 O6 -","- C20 H26 Cu2 N2 O6 -","- C40 H52 Cu4 N4 O12 -","2","0.5","","Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu","Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups","Crystal Growth & Design","2012","12","4","2089","","10.1021/cg300096n","","","1.54184","CuKα","","0.0248","0.0239","","","0.056","0.0564","","","","","","1.007","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506027","23.0126","0.0009","10.0692","0.0003","22.7967","0.0008","90","","112.358","0.004","90","","4885.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Cu4 N4 O15 -","- C48 H67 Cu4 N4 O15 -","- C192 H268 Cu16 N16 O60 -","4","0.5","","Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu","Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups","Crystal Growth & Design","2012","12","4","2089","","10.1021/cg300096n","","","0.71073","MoKα","","0.0461","0.0302","","","0.0814","0.0843","","","","","","0.939","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506028","20.148","0.002","15.227","0.0016","57.72","0.005","90","","98.443","0.001","90","","17516","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20 -","- C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20 -","- C642.8 H770.8 N50.8 Na16 O168 S21.2 Zn40 -","2","0.25","","Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu","Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups","Crystal Growth & Design","2012","12","4","2089","","10.1021/cg300096n","","","0.71073","MoKα","","0.1446","0.1159","","","0.2065","0.2582","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506029","11.44","0.0011","12.1709","0.0013","13.8131","0.0015","85.546","0.002","79.749","0.001","65.731","0.001","1725.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N2 Ni2 O10 -","- C38 H38 N2 Ni2 O10 -","- C76 H76 N4 Ni4 O20 -","2","1","","Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu","Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups","Crystal Growth & Design","2012","12","4","2089","","10.1021/cg300096n","","","0.71073","MoKα","","0.0967","0.0643","","","0.1526","0.1674","","","","","","1.029","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506030","12.479","0.004","12.888","0.004","15.116","0.005","93.634","0.007","94.092","0.007","105.305","0.007","2330.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 F12 N6 O12 -","- C41 H35 F12 N6 O12 -","- C82 H70 F24 N12 O24 -","2","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.1125","0.0879","","","0.2708","0.3046","","","","","","1.028","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506031","43.7719","0.0013","43.7719","0.0013","12.7427","0.0008","90","","90","","120","","21143.8","1.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H38 Cl4 N6 O18 -","- C33 H33 Cl4 N6 O18 -","- C594 H594 Cl72 N108 O324 -","18","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0839","0.0702","","","0.181","0.1909","","","","","","1.064","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506032","19.68","0.001","19.68","0.001","21.61","0.002","90","","90","","120","","7248.3","0.8","120","2","120","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C99 H100 N12 O31 -","- C99 H100 N12 O31 -","- C297 H300 N36 O93 -","3","0.5","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.1041","0.0904","","","0.2417","0.256","","","","","","1.064","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506033","9.4606","0.0007","10.5273","0.0008","17.5009","0.0012","79.28","0.002","76.871","0.002","63.893","0.002","1516.85","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N9 O10 -","- C30 H27 N9 O10 -","- C60 H54 N18 O20 -","2","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0683","0.0508","","","0.1302","0.1422","","","","","","1.062","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506034","9.3543","0.0006","22.1377","0.0015","16.6022","0.0011","90","","104.228","0.001","90","","3332.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 I2 N7 O2 -","- C33 H33 I2 N7 O2 -","- C132 H132 I8 N28 O8 -","4","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0298","0.0253","","","0.0576","0.0595","","","","","","1.049","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506035","9.4032","0.0014","22.782","0.003","16.298","0.003","90","","103.4","0.003","90","","3396.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl2 N7 O9 -","- C33 H33 Cl2 N7 O9 -","- C132 H132 Cl8 N28 O36 -","4","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0472","0.0406","","","0.113","0.1187","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506036","20.4226","0.0015","18.5996","0.0014","20.1705","0.0015","90","","117.501","0.002","90","","6796","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H73 Cl5 N10 O27 -","- C58 H65 Cl5 N10 O27 -","- C232 H260 Cl20 N40 O108 -","4","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0791","0.0584","","","0.1479","0.1652","","","","","","1.03","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506037","20.5849","0.0012","18.4162","0.001","19.9691","0.0011","90","","117.953","0.001","90","","6687","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 B5 F20 N10 O6 -","- C58 H59 B5 F20 N10 O6 -","- C232 H236 B20 F80 N40 O24 -","4","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0768","0.0637","","","0.1853","0.1957","","","","","","1.067","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506038","9.471","0.0011","17.3579","0.0017","19.6831","0.0019","76.227","0.003","83.232","0.003","88.407","0.003","3120.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H68 N6 O14 Zn3 -","- C98 H68 N6 O14 Zn3 -","- C98 H68 N6 O14 Zn3 -","1","0.5","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Microporous Metal‒Organic Framework Based on Mixing Nanosized Tris((4-carboxyl)-phenylduryl)amine and 4,4′-Bipyridine Ligands for Gas Storage and Separation","Crystal Growth & Design","2012","12","5","2468","","10.1021/cg3001009","","","0.71073","MoKα","","0.0618","0.0564","","","0.2069","0.2158","","","","","","1.063","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506039","25.828","0.003","14.5799","0.0014","7.3586","0.0007","90","","95.687","0.002","90","","2757.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H3.75 N3 O1.5 S6 -","- C10.5 H4.5 N3 O1.5 S6 -","- C84 H36 N24 O12 S48 -","8","1","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Dube, Paul A.; Oakley, Richard T.","A Bimodal Oxobenzene-bridged Bisdithiazolyl Radical Conductor","Crystal Growth & Design","2012","12","5","2485","","10.1021/cg300107t","","","0.71073","MoKα","","0.1213","0.0582","","","0.0774","0.096","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506040","5.452","0.0004","6.3891","0.0004","45.711","0.003","90","","91.796","0.003","90","","1591.49","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Mn N2 O12 -","- C32 H40 Mn N2 O12 -","- C64 H80 Mn2 N4 O24 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0566","0.0543","","","0.1266","0.1362","","","","","","1.382","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506041","30.798","0.002","5.634","0.0004","24.491","0.002","90","","114.536","0.006","90","","3865.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 Cu N4 O9 -","- C42 H44 Cu N4 O9 -","- C168 H176 Cu4 N16 O36 -","4","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0388","0.0331","","","0.0918","0.0945","","","","","","1.054","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506042","5.4784","0.0001","13.0745","0.0004","15.1085","0.0006","112.077","0.002","94.582","0.002","100.659","0.001","972.18","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N4 O10 Zn -","- C42 H46 N4 O10 Zn -","- C42 H46 N4 O10 Zn -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0335","0.0304","","","0.0813","0.0831","","","","","","1.078","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506043","5.5386","0.0002","13.1183","0.0004","15.2664","0.0005","112.863","0.002","94.311","0.002","100.602","0.002","991.36","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cd N4 O10 -","- C42 H46 Cd N4 O10 -","- C42 H46 Cd N4 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0296","0.0293","","","0.0762","0.0766","","","","","","1.111","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506044","19.0706","0.0019","5.3626","0.0005","25.392","0.003","90","","104.218","0.007","90","","2517.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Co N5 O10 -","- C55 H40 Co N5 O10 -","- C110 H80 Co2 N10 O20 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0514","0.0402","","","0.1048","0.1197","","","","","","1.075","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506045","15.0683","0.0007","19.544","0.001","9.2955","0.0005","90","","103.023","0.003","90","","2667.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cu N6 O10 -","- C60 H60 Cu N6 O10 -","- C120 H120 Cu2 N12 O20 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.1098","0.0584","","","0.1094","0.1298","","","","","","1.019","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506046","5.5409","0.0002","13.2051","0.0004","17.7936","0.0006","75.104","0.002","81.318","0.002","78.586","0.002","1226.39","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H54 Cd N5 O10 -","- C55 H54 Cd N5 O10 -","- C55 H54 Cd N5 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0403","0.039","","","0.0908","0.0917","","","","","","1.027","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506047","4.2484","0.0003","5.9704","0.0003","10.566","0.0006","105.734","0.005","94.894","0.005","91.898","0.005","256.58","0.03","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C8 H8 N4 O2 S2 -","2","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","Mo-Kα","","0.012","0.012","","","0.0185","0.0185","","","","","","1.312","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506048","4.2588","0.0012","12.419","0.004","9.844","0.003","90","","91.289","0.009","90","","520.5","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C16 H16 N8 O4 S4 -","4","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","Mo-Kα","","0.028","0.028","","","0.0277","0.0277","","","","","","1.156","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506049","8.6224","0.0004","9.1703","0.0005","12.5769","0.0008","99.34","0.005","100.163","0.004","90.303","0.004","965.29","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","Mo-Kα","","0.0296","0.0296","","","0.0341","0.0341","","","","","","0.986","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506050","4.3405","0.0001","14.458","0.0005","9.5743","0.0003","90","","90.758","0.003","90","","600.78","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N2 O S -","- C5 H6 N2 O S -","- C20 H24 N8 O4 S4 -","4","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","MoKα","","0.0241","0.0264","","","0.1164","0.1164","","","","","","0.97","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506051","7.1769","0.0005","12.1325","0.0007","7.5571","0.0006","90","","91.743","0.007","90","","657.72","0.08","100","2","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","Mo-Kα","","0.0281","0.0281","","","0.0308","0.0308","","","","","","1.389","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506052","4.1926","0.0004","14.5355","0.0011","9.786","0.0009","90","","99.772","0.005","90","","587.72","0.09","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 S2 -","- C4 H4 N2 S2 -","- C16 H16 N8 S8 -","4","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","MoKα","","0.0228","0.0228","","","0.0247","0.0247","","","","","","1.214","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506053","7.424","0.007","7.628","0.007","25.7","0.02","88.959","0.007","87.126","0.008","66.359","0.008","1332","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","2","","Adalder, Tapas Kumar; Sankolli, Ravish; Dastidar, Parthasarathi","Homo- or Heterosynthon? A Crystallographic Study on a Series of New Cocrystals Derived from Pyrazinecarboxamide and Various Carboxylic Acids Equipped with Additional Hydrogen Bonding Sites","Crystal Growth & Design","2012","12","5","2533","","10.1021/cg300140w","","","0.71073","MoKα","","0.058","0.0395","","","0.1121","0.1283","","","","","","0.971","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506054","7.2384","0.0003","27.1544","0.0007","7.5412","0.0003","90","","115.909","0.005","90","","1333.27","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O7 -","- C12 H11 N3 O7 -","- C48 H44 N12 O28 -","4","1","","Adalder, Tapas Kumar; Sankolli, Ravish; Dastidar, Parthasarathi","Homo- or Heterosynthon? A Crystallographic Study on a Series of New Cocrystals Derived from Pyrazinecarboxamide and Various Carboxylic Acids Equipped with Additional Hydrogen Bonding Sites","Crystal Growth & Design","2012","12","5","2533","","10.1021/cg300140w","","","0.71073","MoKα","","0.0727","0.0432","","","0.1066","0.1167","","","","","","0.935","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506055","14.389","0.002","6.5565","0.0009","15.523","0.002","90","","94.289","0.004","90","","1460.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C64 H52 N12 O16 -","4","1","","Adalder, Tapas Kumar; Sankolli, Ravish; Dastidar, Parthasarathi","Homo- or Heterosynthon? A Crystallographic Study on a Series of New Cocrystals Derived from Pyrazinecarboxamide and Various Carboxylic Acids Equipped with Additional Hydrogen Bonding Sites","Crystal Growth & Design","2012","12","5","2533","","10.1021/cg300140w","","","0.71073","MoKα","","0.069","0.046","","","0.1212","0.1353","","","","","","1.044","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506056","5.5331","0.0003","29.5175","0.001","8.3142","0.0004","90","","108.789","0.005","90","","1285.54","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C56 H48 N16 O12 -","4","1","","Adalder, Tapas Kumar; Sankolli, Ravish; Dastidar, Parthasarathi","Homo- or Heterosynthon? A Crystallographic Study on a Series of New Cocrystals Derived from Pyrazinecarboxamide and Various Carboxylic Acids Equipped with Additional Hydrogen Bonding Sites","Crystal Growth & Design","2012","12","5","2533","","10.1021/cg300140w","","","0.71073","MoKα","","0.0782","0.0474","","","0.1171","0.1265","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506057","14.14","0.0007","8.1804","0.0004","22.1356","0.0012","90","","105.415","0.003","90","","2468.3","0.2","95","","95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl N7 O2 S -","- C22 H26 Cl N7 O2 S -","- C88 H104 Cl4 N28 O8 S4 -","4","1","","Roy, Saikat; Quiñones, Rosalynn; Matzger, Adam J.","Structural and Physicochemical Aspects of Dasatinib Hydrate and Anhydrate phases.","Crystal growth & design","2012","12","4","2122","2126","10.1021/cg300152p","","","1.54178","CuKα","","","0.0846","","","","0.2413","","","","","","1.116","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506058","13.8657","0.0003","9.2077","0.0002","37.9347","0.0008","90","","90","","90","","4843.17","0.18","95","","95","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 Cl N7 O3 S -","- C22 H28 Cl N7 O3 S -","- C176 H224 Cl8 N56 O24 S8 -","8","1","","Roy, Saikat; Quiñones, Rosalynn; Matzger, Adam J.","Structural and Physicochemical Aspects of Dasatinib Hydrate and Anhydrate phases.","Crystal growth & design","2012","12","4","2122","2126","10.1021/cg300152p","","","1.54187","CuKα","","","0.0905","","","","0.237","","","","","","1.047","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506059","10.6054","0.0002","11.3456","0.0002","52.5014","0.0005","90","","90","","90","","6317.21","0.17","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glycyrrhizic acid 4.26 propionic acid 3.94 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic acid water/propionic acid solvate","","- C54.78 H95.44 O28.1 -","- C54.577 H89.842 O28.106 -","- C218.308 H359.368 O112.424 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0721","0.0716","","","0.1984","0.199","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506060","10.3718","0.0002","11.2995","0.0002","50.3536","0.0006","90","","90","","90","","5901.25","0.17","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium beta-glycyrrhizate 3.53 methanol 1.82 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/methanol solvate","","- C48.25 H94.09 N O24.3 -","- C48.253 H90.012 N O24.294 -","- C193.012 H360.048 N4 O97.176 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0656","0.0654","","","0.1855","0.186","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506061","10.4464","0.0002","11.2468","0.0002","51.0762","0.0005","90","","90","","90","","6000.87","0.17","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium beta-glycyrrhizate complex with p-aminobenzoic acid 3.53 methanol 1.82 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt complex with p-aminobenzoic acid water/methanol solvate","","- C52.53 H89.76 N2 O23.35 -","- C52.524 H87.222 N2 O23.35 -","- C210.096 H348.888 N8 O93.4 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0712","0.0701","","","0.1905","0.1913","","","","","","1.103","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506062","10.2608","0.0004","10.7516","0.0004","16.5684","0.0006","90","","90","","90","","1827.83","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 O23 S4 Y4 -","- O23 S4 Y4 -","- O92 S16 Y16 -","4","1","","Wang, Wen-Hua; Tian, Han-Rui; Zhou, Zhi-Chao; Feng, Yun-Long; Cheng, Jian-Wen","Two Unusual Chiral Lanthanide‒Sulfate Frameworks with Helical Tubes and Channels Constructed from Interweaving Two Double-Helical Chains","Crystal Growth & Design","2012","12","5","2567","","10.1021/cg3001703","","","0.71073","MoKα","","0.0546","0.0468","","","0.1113","0.1152","","","","","","1.092","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506063","10.234","0.0001","10.7014","0.0002","16.5476","0.0003","90","","90","","90","","1812.26","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Er4 H10 O23 S4 -","- Er4 O23 S4 -","- Er16 O92 S16 -","4","1","","Wang, Wen-Hua; Tian, Han-Rui; Zhou, Zhi-Chao; Feng, Yun-Long; Cheng, Jian-Wen","Two Unusual Chiral Lanthanide‒Sulfate Frameworks with Helical Tubes and Channels Constructed from Interweaving Two Double-Helical Chains","Crystal Growth & Design","2012","12","5","2567","","10.1021/cg3001703","","","0.71073","MoKα","","0.0279","0.0275","","","0.0615","0.0616","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506064","5.1663","0.0006","9.9211","0.001","15.8829","0.0017","75.339","0.003","82.551","0.003","78.82","0.003","769.84","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-4N-GA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)3-COOH","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0627","0.047","","","0.13","0.1416","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506065","7.5855","0.0012","21.675","0.003","11.1031","0.0016","90","","96.05","0.009","90","","1815.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SVP-4N-PA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)5-COOH","","- C18 H21 N3 O5 -","- C18 H21 N3 O5 -","- C72 H84 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.154","0.0558","","","0.1367","0.185","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506066","11.0319","0.0011","9.95","0.0009","18.7354","0.0018","90","","90.323","0.004","90","","2056.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SVP-4N-SeA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)8-COOH","","- C21 H27 N3 O5 -","- C21 H27 N3 O5 -","- C84 H108 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0662","0.0452","","","0.113","0.124","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506067","11.9508","0.0011","19.8752","0.0019","7.3996","0.0008","90","","105.384","0.004","90","","1694.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SVP-4N-AA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)4-COOH","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0931","0.0511","","","0.1364","0.1626","","","","","","1.016","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506068","11.4438","0.0007","10.1874","0.0005","16.5671","0.0009","90","","95.023","0.003","90","","1924.02","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SVP 4N-SeA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)6-COOH","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0712","0.0488","","","0.1336","0.1507","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506069","5.6707","0.0003","10.8221","0.0006","17.0848","0.001","104.161","0.002","94.599","0.002","104.84","0.002","971.23","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-4n-AzA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)7-COOH","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C40 H50 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0663","0.0486","","","0.1391","0.1509","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506070","11.2578","0.0007","19.6623","0.0011","19.813","0.0012","93.236","0.003","91.236","0.003","90.298","0.003","4377.6","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-4N-SUC (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)2-COOH","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C180 H180 N36 O60 -","12","6","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.1427","0.0646","","","0.1496","0.185","","","","","","1.024","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506071","8.9361","0.0008","9.8031","0.0009","9.827","0.0009","83.13","0.002","74.507","0.003","79.462","0.002","813.31","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-3N-AA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)4-COOH","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C34 H38 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0569","0.0465","","","0.1317","0.1432","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506072","7.5703","0.0008","9.6882","0.001","13.9977","0.0014","85.455","0.004","81.21","0.004","79.358","0.004","995.74","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-3N-SeA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)8-COOH","","- C21 H27 N3 O5 -","- C21 H27 N3 O5 -","- C42 H54 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0701","0.0519","","","0.1387","0.1508","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506073","31.2168","0.0018","4.794","0.0003","22.7743","0.0013","90","","128.375","0.002","90","","2671.9","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","SVP-3N-MA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)-COOH","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C112 H104 N24 O40 -","8","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0615","0.0433","","","0.1129","0.1241","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506074","4.8289","0.0005","11.1223","0.0011","14.3787","0.0014","67.856","0.004","89.55","0.004","87.878","0.004","714.79","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-3N-SA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)2-COOH","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0892","0.0576","","","0.1718","0.1907","","","","","","1.125","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506075","7.5711","0.0005","11.982","0.0008","20.1758","0.0013","82.56","0.004","80.081","0.004","85.195","0.004","1784.2","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-3N-PA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)5-COOH","","- C18 H21 N3 O5 -","- C18 H21 N3 O5 -","- C72 H84 N12 O20 -","4","2","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.1336","0.0622","","","0.1435","0.1777","","","","","","0.985","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506076","13.5588","0.0013","9.466","0.001","15.8384","0.0015","90","","105.946","0.004","90","","1954.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2) 3N/AZA BD (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)7-COOH","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C80 H100 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.099","0.0604","","","0.1541","0.1813","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506077","12.7949","0.0004","8.2582","0.0002","18.2006","0.0005","90","","107.778","0.003","90","","1831.29","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co3 N2 O22 -","- C30 H32 Co3 N2 O22 -","- C60 H64 Co6 N4 O44 -","2","0.5","","Li, Huan-Huan; Shi, Wei; Xu, Na; Zhang, Zhen-Jie; Niu, Zheng; Han, Tian; Cheng, Peng","Structural Diversity of Four Metal‒Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties","Crystal Growth & Design","2012","12","5","2602","","10.1021/cg300196w","","","0.7107","MoKα","","0.0602","0.0334","","","0.063","0.0662","","","","","","0.874","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506078","9.2915","0.0004","15.0734","0.0007","17.8179","0.0007","90","","97.323","0.004","90","","2475.12","0.19","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Co3 N4 O22 -","- C34 H38 Co3 N4 O22 -","- C68 H76 Co6 N8 O44 -","2","0.5","","Li, Huan-Huan; Shi, Wei; Xu, Na; Zhang, Zhen-Jie; Niu, Zheng; Han, Tian; Cheng, Peng","Structural Diversity of Four Metal‒Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties","Crystal Growth & Design","2012","12","5","2602","","10.1021/cg300196w","","","0.7107","MoKα","","0.1092","0.0863","","","0.2219","0.2407","","","","","","1.052","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506079","10.7608","0.0003","20.6327","0.0006","16.8538","0.0007","90","","100.938","0.003","90","","3674","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Co Gd2 O26 -","- C24 H20 Co Gd2 O26 -","- C96 H80 Co4 Gd8 O104 -","4","0.5","","Li, Huan-Huan; Shi, Wei; Xu, Na; Zhang, Zhen-Jie; Niu, Zheng; Han, Tian; Cheng, Peng","Structural Diversity of Four Metal‒Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties","Crystal Growth & Design","2012","12","5","2602","","10.1021/cg300196w","","","0.7107","MoKα","","0.061","0.0445","","","0.1294","0.1385","","","","","","1.176","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506080","9.2134","0.0015","10.178","0.0008","11.5556","0.0008","74.073","0.007","79.441","0.01","83.594","0.01","1022.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Co Dy2 O26 -","- C28 H24 Co Dy2 O26 -","- C28 H24 Co Dy2 O26 -","1","0.5","","Li, Huan-Huan; Shi, Wei; Xu, Na; Zhang, Zhen-Jie; Niu, Zheng; Han, Tian; Cheng, Peng","Structural Diversity of Four Metal‒Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties","Crystal Growth & Design","2012","12","5","2602","","10.1021/cg300196w","","","0.7107","MoKα","","0.0574","0.0461","","","0.1283","0.1325","","","","","","1.077","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506081","17.647","0.002","5.2995","0.0007","13.968","0.0018","90","","90","","90","","1306.3","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C13 H11 N4 O4 Zn -","- C13 H9 N4 O4 Zn -","- C52 H36 N16 O16 Zn4 -","4","0.5","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.045","0.0385","","","0.1128","0.1155","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506082","20.742","0.003","19.431","0.003","12.3964","0.0017","90","","107.989","0.007","90","","4752","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N4 O5 Zn -","- C24 H17 N4 O5 Zn -","- C192 H136 N32 O40 Zn8 -","8","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.053","0.0464","","","0.137","0.142","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506083","26.6249","0.001","6.7018","0.0003","23.2725","0.0009","90","","105.098","0.001","90","","4009.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Cd N4 O4 -","- C24 H17 Cd N4 O4 -","- C192 H136 Cd8 N32 O32 -","8","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.03","0.0279","","","0.0763","0.0779","","","","","","1.063","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506084","10.997","0.003","30.043","0.008","14.553","0.004","90","","109.807","0.004","90","","4524","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cd N4 O5 -","- C22 H17 Cd N4 O5 -","- C176 H136 Cd8 N32 O40 -","8","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.0974","0.0848","","","0.236","0.2584","","","","","","1.084","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506085","42.542","0.005","13.6415","0.0015","15.2419","0.0016","90","","99.301","0.002","90","","8729.1","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Cd2 N8 O12 -","- C44 H34 Cd2 N8 O12 -","- C352 H272 Cd16 N64 O96 -","8","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.0793","0.0607","","","0.1787","0.2066","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506086","6.761","0.005","16.856","0.005","18.782","0.005","90","0.005","95.091","0.005","90","0.005","2132","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N4 O6 Zn -","- C22 H17 N4 O6 Zn -","- C88 H68 N16 O24 Zn4 -","4","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.0409","0.0364","","","0.1067","0.1089","","","","","","1.035","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506087","9.7208","0.0014","9.1128","0.0013","7.5178","0.0011","90","","96.727","0.002","90","","661.37","0.17","90","1","90","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","4-fluoro benzoyl chloride","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dikundwar, Amol G.; Row, Tayur N. Guru","Evidence for the “Amphoteric” Nature of Fluorine in Halogen Bonds: An Instance of Cl···F Contact","Crystal Growth & Design","2012","12","4","1713","","10.1021/cg3002477","","x-ray","0.71073","MoKα","","0.0361","0.0347","","","0.0898","0.091","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506088","6.8606","0.0012","7.1974","0.0012","8.0394","0.0014","94.604","0.003","104.285","0.002","115.92","0.002","337.84","0.1","90","1","90","1","","","","","","","see text","5","P -1","-P 1","2","","2,3-difluoro benzoyl chloride","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C14 H6 Cl2 F4 O2 -","2","1","","Dikundwar, Amol G.; Row, Tayur N. Guru","Evidence for the “Amphoteric” Nature of Fluorine in Halogen Bonds: An Instance of Cl···F Contact","Crystal Growth & Design","2012","12","4","1713","","10.1021/cg3002477","","x-ray","0.71073","MoKα","","0.0344","0.032","","","0.0846","0.0862","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506089","13.6046","0.0002","13.6046","0.0002","18.3638","0.0006","90","","90","","120","","2943.5","0.11","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Cd4 Gd2 N12 O14 -","- C120 H91.98 Cd4 Gd2 N12 O13.98 -","- C120 H91.98 Cd4 Gd2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0836","0.0565","","","0.1529","0.168","","","","","","1.057","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506090","13.3921","0.0002","13.3921","0.0002","18.379","0.0005","90","","90","","120","","2854.63","0.1","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Co4 Dy2 N12 O14 -","- C120 H85.98 Co4 Dy2 N12 O13.98 -","- C120 H85.98 Co4 Dy2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0457","0.0398","","","0.1048","0.109","","","","","","1.105","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506091","13.3242","0.0004","13.3242","0.0004","18.4954","0.0011","90","","90","","120","","2843.7","0.2","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Dy2 Fe4 N12 O14 -","- C120 H90 Dy2 Fe4 N12 O13.98 -","- C120 H90 Dy2 Fe4 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1307","0.1191","","","0.2301","0.2344","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506092","13.3193","0.0019","13.3193","0.0019","18.649","0.005","90","","90","","120","","2865.2","1","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Eu2 N12 O14 Zn4 -","- C120 H91.98 Eu2 N12 O13.98 Zn4 -","- C120 H91.98 Eu2 N12 O13.98 Zn4 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.2148","0.1493","","","0.3995","0.4369","","","","","","1.388","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506093","13.6227","0.0003","13.6227","0.0003","18.3213","0.0009","90","","90","","120","","2944.51","0.17","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Cd4 Eu2 N12 O14 -","- C120 H85.98 Cd4 Eu2 N12 O13.98 -","- C120 H85.98 Cd4 Eu2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0378","0.0339","","","0.0883","0.0919","","","","","","1.049","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506094","13.4072","0.0002","13.4072","0.0002","18.3357","0.0007","90","","90","","120","","2854.33","0.12","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Co4 Eu2 N12 O14 -","- C120 H91.98 Co4 Eu2 N12 O13.98 -","- C120 H91.98 Co4 Eu2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1001","0.0813","","","0.1523","0.1612","","","","","","1.087","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506095","13.3574","0.0003","13.3574","0.0003","18.3706","0.0012","90","","90","","120","","2838.6","0.2","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Eu2 N12 Ni4 O14 -","- C120 H91.98 Eu2 N12 Ni4 O13.98 -","- C120 H91.98 Eu2 N12 Ni4 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1818","0.1666","","","0.3452","0.3531","","","","","","1.131","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506096","13.4432","0.0002","13.4432","0.0002","18.3107","0.0004","90","","90","","120","","2865.77","0.09","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 N12 O14 Tb2 Zn4 -","- C120 H85.98 N12 O13.98 Tb2 Zn4 -","- C120 H85.98 N12 O13.98 Tb2 Zn4 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0726","0.048","","","0.1154","0.1252","","","","","","1.064","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506097","13.3911","0.0007","13.3911","0.0007","18.4749","0.0018","90","","90","","120","","2869.1","0.4","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Co4 N12 O14 Tb2 -","- C120 H85.98 Co4 N12 O13.98 Tb2 -","- C120 H85.98 Co4 N12 O13.98 Tb2 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0714","0.0516","","","0.1316","0.1434","","","","","","1.089","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506098","13.3357","0.0002","13.3357","0.0002","18.5394","0.0004","90","","90","","120","","2855.34","0.09","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 N12 Ni4 O14 Tb2 -","- C120 H85.98 N12 Ni4 O13.98 Tb2 -","- C120 H85.98 N12 Ni4 O13.98 Tb2 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0894","0.0779","","","0.1647","0.1717","","","","","","1.085","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506099","13.4647","0.0002","13.4647","0.0002","18.3963","0.0006","90","","90","","120","","2888.38","0.11","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H84 Cd4 Dy2 N12 O14 -","- C120 H84 Cd4 Dy2 N12 O13.98 -","- C120 H84 Cd4 Dy2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1056","0.0925","","","0.3132","0.3294","","","","","","1.397","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506100","13.4049","0.0001","13.4049","0.0001","18.4479","0.0002","90","","90","","120","","2870.81","0.04","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Co4 Gd2 N12 O14 -","- C120 H85.98 Co4 Gd2 N12 O13.98 -","- C120 H85.98 Co4 Gd2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0482","0.0411","","","0.0996","0.1046","","","","","","1.097","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506101","13.377","0.0003","13.377","0.0003","18.6505","0.001","90","","90","","120","","2890.27","0.18","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Gd2 N12 Ni4 O14 -","- C120 H91.98 Gd2 N12 Ni4 O13.98 -","- C120 H91.98 Gd2 N12 Ni4 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1298","0.1101","","","0.2949","0.311","","","","","","1.064","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506102","13.436","0.0013","13.436","0.0013","18.334","0.003","90","","90","","120","","2866.3","0.6","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 N12 O14 Sm2 Zn4 -","- C120 H85.98 N12 O13.98 Sm2 Zn4 -","- C120 H85.98 N12 O13.98 Sm2 Zn4 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0951","0.0545","","","0.1307","0.1484","","","","","","1.041","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506103","13.3608","0.0004","13.3608","0.0004","18.6145","0.0015","90","","90","","120","","2877.7","0.3","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H84 Co4 N12 O14 Sm2 -","- C120 H90 Co4 N12 O13.98 Sm2 -","- C120 H90 Co4 N12 O13.98 Sm2 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.2134","0.1598","","","0.4232","0.4535","","","","","","1.569","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506104","13.3759","0.0002","13.3759","0.0002","18.6826","0.0004","90","","90","","120","","2894.77","0.09","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 N12 Ni4 O14 Sm2 -","- C120 H91.98 N12 Ni4 O13.98 Sm2 -","- C120 H91.98 N12 Ni4 O13.98 Sm2 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1719","0.1521","","","0.4802","0.4954","","","","","","2.053","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506105","11.8214","0.0003","5.5673","0.00013","22.7603","0.0005","90","","100.356","0.002","90","","1473.53","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O7 S -","- C14 H8 Ca O7 S -","- C56 H32 Ca4 O28 S4 -","4","1","","Banerjee, Debasis; Zhang, Zhijuan; Plonka, Anna M.; Li, Jing; Parise, John B.","A Calcium Coordination Framework Having Permanent Porosity and High CO2/N2Selectivity","Crystal Growth & Design","2012","12","5","2162","","10.1021/cg300274n","","","0.7107","MoKα","","0.0363","0.0321","","","0.096","0.0994","","","","","","1.239","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506106","11.8783","0.0005","5.5485","0.0002","22.7982","0.0008","90","","101.535","0.004","90","","1472.21","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S -","- C14 H8 Ca O6 S -","- C56 H32 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Zhang, Zhijuan; Plonka, Anna M.; Li, Jing; Parise, John B.","A Calcium Coordination Framework Having Permanent Porosity and High CO2/N2Selectivity","Crystal Growth & Design","2012","12","5","2162","","10.1021/cg300274n","","","0.7107","MoKα","","0.0517","0.0441","","","0.1132","0.1208","","","","","","1.082","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506107","10.1969","0.001","11.0817","0.0011","13.9784","0.0015","95.445","0.002","105.167","0.002","113.937","0.002","1356.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Fe N4 O14.5 -","- C26 H23 Fe N4 O14.5 -","- C52 H46 Fe2 N8 O29 -","2","1","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.0581","0.0377","","","0.0838","0.093","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506108","9.9383","0.0015","11.9425","0.0018","13.675","0.002","101.756","0.003","101.914","0.003","101.952","0.003","1501.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.89 H27 Fe N4 O13.77 -","- C29.8862 H23 Fe N4 O13.7724 -","- C59.7724 H46 Fe2 N8 O27.5448 -","2","1","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.0669","0.0535","","","0.1299","0.1388","","","","","","1.056","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506109","10.1267","0.0003","41.4321","0.0012","24.9603","0.0007","90","","92.417","0.001","90","","10463.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46.6 H44 Ba Fe2 N4 O31.4 -","- C46.6 H36 Ba Fe2 N4 O31.4 -","- C372.8 H288 Ba8 Fe16 N32 O251.2 -","8","2","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.0677","0.0475","","","0.1235","0.1369","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506110","10.1158","0.0012","20.723","0.003","25.027","0.003","90","","92.667","0.002","90","","5240.7","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Ba Fe2 N4 O29 -","- C48 H40 Ba Fe2 N4 O29 -","- C192 H160 Ba4 Fe8 N16 O116 -","4","0.5","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.074","0.0525","","","0.1204","0.1314","","","","","","1.048","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506111","25.8392","0.0018","10.6613","0.0007","20.8311","0.0014","90","","112.231","0.002","90","","5312","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Ba Fe2 N4 O32 -","- C46 H38 Ba Fe2 N4 O32 -","- C184 H152 Ba4 Fe8 N16 O128 -","4","1","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.0533","0.0348","","","0.0885","0.1006","","","","","","1.084","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506112","9.8454","0.0017","32.64","0.006","11.319","0.002","90","","111.469","0.004","90","","3385","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31.75 H31 Fe N3 O16.75 -","- C31.75 H28 Fe N3 O16.75 -","- C127 H112 Fe4 N12 O67 -","4","2","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.1862","0.0801","","","0.1704","0.2219","","","","","","0.971","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506113","10.3774","0.0013","13.9064","0.0017","13.7479","0.0016","90","","110.139","0.004","90","","1862.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Co N5 O6 S -","- C15 H17 Co N5 O6 S -","- C60 H68 Co4 N20 O24 S4 -","4","1","","Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop","Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions","Crystal Growth & Design","2012","12","5","2691","","10.1021/cg300302n","","","0.71073","MoKα","","0.0917","0.0479","","","0.1141","0.1333","","","","","","1.016","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506114","28.835","0.003","7.3637","0.0007","14.1679","0.0013","90","","109.161","0.005","90","","2841.6","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Co N4 O5 S -","- C12 H10 Co N4 O5 S -","- C96 H80 Co8 N32 O40 S8 -","8","1","","Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop","Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions","Crystal Growth & Design","2012","12","5","2691","","10.1021/cg300302n","","","0.71073","MoKα","","0.0709","0.046","","","0.1191","0.1404","","","","","","1.099","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506115","14.352","0.0003","14.352","0.0003","6.2985","0.0003","90","","90","","90","","1297.36","0.07","296","2","296","2","","","","","","","","6","P -4","P -4","81","","","","- C24 H24 Co N8 O6 S -","- C24 H20 Co N8 O6 S -","- C48 H40 Co2 N16 O12 S2 -","2","0.5","","Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop","Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions","Crystal Growth & Design","2012","12","5","2691","","10.1021/cg300302n","","","0.71073","MoKα","","0.0517","0.0444","","","0.1204","0.1246","","","","","","1.075","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506116","20.244","0.012","18.179","0.009","13.766","0.007","90","","99.48","0.02","90","","4997","5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 Cl2 F24 N8 Pd2 -","- C44 H22 Cl2 F24 N8 Pd2 -","- C176 H88 Cl8 F96 N32 Pd8 -","4","1","","Mastropietro, Teresa F.; Aprea, Alessia; La Deda, Massimo; Aiello, Iolinda; Ghedini, Mauro; Crispini, Alessandra","Role of Fluorine Interactions in the Solid State Structure and Photophysical Properties of 3,5-Disubstituted-2-(2′-pyridyl)pyrrole Pd(II) Complexes","Crystal Growth & Design","2012","12","5","2173","","10.1021/cg300369w","","","0.71073","MoKα","","0.0583","0.0365","","","0.087","0.1005","","","","","","0.982","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506117","8.8491","0.0005","9.8091","0.0005","23.6058","0.0013","90","","90","","90","","2049.02","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl N4 Pd -","- C22 H23 Cl N4 Pd -","- C88 H92 Cl4 N16 Pd4 -","4","1","","Mastropietro, Teresa F.; Aprea, Alessia; La Deda, Massimo; Aiello, Iolinda; Ghedini, Mauro; Crispini, Alessandra","Role of Fluorine Interactions in the Solid State Structure and Photophysical Properties of 3,5-Disubstituted-2-(2′-pyridyl)pyrrole Pd(II) Complexes","Crystal Growth & Design","2012","12","5","2173","","10.1021/cg300369w","","","0.71073","MoKα","","0.0293","0.0238","","","0.0578","0.0607","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506118","8.0487","0.0011","31.63","0.004","15.884","0.002","90","","102.199","0.002","90","","3952.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H0 N8 O8 -","- C94 H104.66 N8 O8 -","- C188 H209.32 N16 O16 -","2","0.5","","Royer, James E.; Zhang, Chengyi; Kummel, Andrew C.; Trogler, William C.","Air-stable spin-coated naphthalocyanine transistors for enhanced chemical vapor detection.","Langmuir : the ACS journal of surfaces and colloids","2012","28","14","6192","6200","10.1021/la204486y","","","0.71073","MoKα","","0.062","0.0482","","","0.1133","0.1246","","","","","","1.017","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506119","20.009","0.016","13.184","0.011","19.278","0.016","90","","95.989","0.015","90","","5058","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H58 Cl4 O6 P2 Pd2 S2 -","- C50 H58 Cl4 O6 P2 Pd2 S2 -","- C200 H232 Cl16 O24 P8 Pd8 S8 -","4","0.5","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0685","0.0406","","","0.0726","0.0774","","","","","","0.893","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506120","17.934","0.004","10.371","0.002","25.392","0.004","90","","131.536","0.01","90","","3535.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 O6 P2 Pd2 S2 -","- C72 H102 O6 P2 Pd2 S2 -","- C144 H204 O12 P4 Pd4 S4 -","2","0.5","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0505","0.0377","","","0.0859","0.0892","","","","","","0.946","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506121","36.529","0.007","13.21","0.002","24.939","0.005","90","","100.456","0.005","90","","11834","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H61 B F15 O4 P Pd S -","- C58 H61 B F15 O4 P Pd S -","- C464 H488 B8 F120 O32 P8 Pd8 S8 -","8","1","","Cai, Zhengguo; Shen, Zhongliang; Zhou, Xiaoyuan; Jordan, Richard F.","Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3to the Sulfonate Group","ACS Catalysis","2012","2","6","1187","","10.1021/cs300147c","","","0.71073","MoKα","","0.0455","0.0342","","","0.0778","0.0808","","","","","","0.955","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506122","37.1893","0.0005","37.1893","","37.1893","","90","","90","","90","","51434.4","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","6","I 2 3","I 2 2 3","197","","","","- C56 H48 Cl12 N4 O18 Rh2 -","- C56 H48 Cl12 N4 O18 Rh2 -","- C1344 H1152 Cl288 N96 O432 Rh48 -","24","1","","Lindsay, Vincent N. G.; Charette, André B.","Design and Synthesis of Chiral Heteroleptic Rhodium(II) Carboxylate Catalysts: Experimental Investigation of Halogen Bond Rigidification Effects in Asymmetric Cyclopropanation","ACS Catalysis","2012","2","6","1221","","10.1021/cs300214v","","","1.54178","CuKα","","0.0407","0.0399","","","0.1152","0.1161","","","","","","1.253","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506127","20.595","0.001","12.2615","0.0008","26.1223","0.0018","90","","92.572","0.003","90","","6589.9","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I5 K N2 O6 -","- C20 H36 I5 K N2 O6 -","- C160 H288 I40 K8 N16 O48 -","8","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0626","0.0448","","","0.1045","0.1146","","","","","","1.162","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506128","20.573","0.003","12.2683","0.0014","26.225","0.003","90","","92.017","0.003","90","","6615","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I5 N2 O6 Rb -","- C20 H36 I5 N2 O6 Rb -","- C160 H288 I40 N16 O48 Rb8 -","8","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.1174","0.0686","","","0.161","0.1806","","","","","","1.123","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506129","11.818","0.002","11.818","0.002","44.264","0.009","90","","90","","120","","5353.9","1.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H36 I7 N2 Na O6 -","- C21 H36 I7 N2 Na O6 -","- C126 H216 I42 N12 Na6 O36 -","6","0.333333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0819","0.0786","","","0.1815","0.1836","","","","","","1.187","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506130","12.045","0.0017","12.045","0.0017","43.88","0.009","90","","90","","120","","5513.3","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H72 I14 K2 N4 O12 -","- C42 H72 I14 K2 N4 O12 -","- C126 H216 I42 K6 N12 O36 -","3","0.166667","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0657","0.0494","","","0.1325","0.1394","","","","","","1.045","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4506131","12.205","0.0005","12.205","0.0005","43.361","0.002","90","","90","","120","","5593.8","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H72 I14 N4 O12 Rb2 -","- C42 H72 I14 N4 O12 Rb2 -","- C126 H216 I42 N12 O36 Rb6 -","3","0.166667","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.07","0.063","","","0.1508","0.1551","","","","","","1.08","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4506132","14.491","0.001","14.491","0.001","8.9118","0.0005","90","","90","","120","","1620.66","0.18","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C27 H52 I7 Na O14 -","- C3 I7 -","- C6 I14 -","2","0.0833333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.136","0.1357","","","0.2961","0.2962","","","","","","1.121","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506133","14.643","0.005","14.643","0.005","8.933","0.003","90","","90","","120","","1658.8","1","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C27 H52 I7 K O14 -","- C3 I7 K0.625 O1.5 -","- C6 I14 K1.25 O3 -","2","0.0833333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.1175","0.1175","","","0.2548","0.2548","","","","","","1.049","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506134","14.66","0.002","14.66","0.002","8.95","0.0018","90","","90","","120","","1665.8","0.5","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C27 H52 I7 O14 Rb -","- C3 I7 Rb0.5 -","- C6 I14 Rb -","2","0.0833333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.2294","0.2294","","","0.4117","0.4117","","","","","","1.191","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506135","9.7118","0.0014","14.9503","0.0019","25.8","0.003","90","","90","","90","","3746","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 I7 K N2 O6 -","- C20 H36 I7 K N2 O6 -","- C80 H144 I28 K4 N8 O24 -","4","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0809","0.075","","","0.1807","0.189","","","","","","1.1","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506136","9.7339","0.001","14.9557","0.0004","25.7708","0.0007","90","","90","","90","","3751.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 I7 N2 O6 Rb -","- C20 H36 I7 N2 O6 Rb -","- C80 H144 I28 N8 O24 Rb4 -","4","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0932","0.0871","","","0.1582","0.1612","","","","","","1.173","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506137","10.4063","0.0012","9.3137","0.0011","23.889","0.003","90","","91.603","0.002","90","","2314.4","0.5","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H38 Co2 N4 O17 -","- C41 H38 Co2 N4 O17 -","- C82 H76 Co4 N8 O34 -","2","0.5","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0668","0.0578","","","0.1557","0.1608","","","","","","1.082","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506138","10.7263","0.0016","9.0056","0.0013","12.9899","0.0019","90","","104.047","0.003","90","","1217.3","0.3","293","2","293","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C41 H30 N4 O14 Zn2 -","- C41 H30 N4 O14 Zn2 -","- C41 H30 N4 O14 Zn2 -","1","0.5","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0491","0.0419","","","0.0858","0.088","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506139","9.5307","0.0014","14.028","0.002","36.112","0.005","90","","95.256","0.003","90","","4807.8","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 Co3 N4 O17 -","- C43 H30 Co3 N4 O17 -","- C172 H120 Co12 N16 O68 -","4","1","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0661","0.0538","","","0.128","0.1337","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506140","16.1936","0.0009","16.1936","0.0009","29.884","0.003","90","","90","","90","","7836.6","1","291","2","291","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C45 H32 N4 O20 Zn2 -","- C45 H32 N4 O20 Zn2 -","- C360 H256 N32 O160 Zn16 -","8","0.25","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0573","0.0419","","","0.1105","0.1147","","","","","","1.06","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506141","10.698","0.0004","11.0555","0.0006","11.2465","0.0006","90","","109.137","0.004","90","","1256.64","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","","- C28 H32 B2 O4 -","- C28 H32 B2 O4 -","- C56 H64 B4 O8 -","2","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0518","0.0409","","","0.1144","0.1213","","","","","","1.055","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506142","6.4525","0.0001","11.0823","0.0002","16.9139","0.0003","90","","93.286","0.009","90","","1207.5","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","","- C28 H32 B2 O4 -","- C28 H32 B2 O4 -","- C56 H64 B4 O8 -","2","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","1.54184","CuKα","","0.0485","0.04","","","0.1022","0.1096","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506143","7.2546","0.0005","9.8024","0.0006","11.9441","0.0008","107.848","0.015","100.289","0.014","101.533","0.015","765.52","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane), toluene solvate","","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","1","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0917","0.067","","","0.1772","0.2007","","","","","","1.013","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506144","6.605","0.0004","19.8267","0.0012","11.729","0.0007","90","","91.997","0.01","90","","1535.04","0.16","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane), toluene solvate","","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","- C70 H80 B4 O8 -","2","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.1034","0.0546","","","0.1458","0.1682","","","","","","1.032","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506145","6.9162","0.0003","11.7567","0.0005","11.8539","0.0005","76.707","0.006","80.15","0.006","81.976","0.007","919.14","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) : hexafluorobenzene, 1:2 complex","","- C40 H32 B2 F12 O4 -","- C40 H32 B2 F12 O4 -","- C40 H32 B2 F12 O4 -","1","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0504","0.0408","","","0.1124","0.1213","","","","","","1.03","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506146","25.4025","0.0014","7.3852","0.0004","30.8651","0.0015","90","","113.387","0.01","90","","5314.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrene-2-Bpin","4,4,5,5-Tetramethyl-2-pyrene-2-yl-[1,3,2]dioxaborolane","","- C22 H21 B O2 -","- C22 H21 B O2 -","- C264 H252 B12 O24 -","12","3","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0508","0.036","","","0.0855","0.0964","","","","","","1.014","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506147","6.9518","0.0004","19.7285","0.0012","20.8481","0.0012","70.167","0.002","82.018","0.002","87.411","0.002","2663.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4,4,5,5-Tetramethyl-2-pyrene-2-yl-[1,3,2]dioxaborolane","","- C22 H21 B O2 -","- C22 H21 B O2 -","- C132 H126 B6 O12 -","6","3","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0832","0.0423","","","0.083","0.0937","","","","","","0.857","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506148","26.5783","0.0019","26.5783","0.0019","6.7405","0.001","90","","90","","90","","4761.5","0.9","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","4,4,5,5-Tetramethyl-2-pyren-2-yl-[1,3,2]dioxaborolane : hexafluorobenzene molecular complex (1:1)","","- C28 H21 B F6 O2 -","- C28 H21 B F6 O2 -","- C224 H168 B8 F48 O16 -","8","1","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.1459","0.0802","","","0.1054","0.1216","","","","","","1.128","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506149","6.7367","0.0003","11.1967","0.0004","6.7849","0.0003","90","","109.688","0.005","90","","481.86","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H17 Br N2 -","- C8 H17 Br N2 -","- C16 H34 Br2 N4 -","2","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.0567","0.0316","","","0.0424","0.0443","","","","","","0.759","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506150","8.8376","0.0002","12.9393","0.0003","14.6165","0.0003","90","","90","","90","","1671.43","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.0516","0.0317","","","0.0562","0.0598","","","","","","0.903","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506151","8.915","0.0003","12.9922","0.0005","14.7871","0.0004","90","","90","","90","","1712.72","0.1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.081","0.0478","","","0.0914","0.0998","","","","","","0.935","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506152","8.9626","0.0002","13.0484","0.0003","14.9163","0.0003","90","","90","","90","","1744.43","0.07","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.1085","0.0605","","","0.1168","0.1342","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506153","15.313","0.003","7.7984","0.0016","14.329","0.003","90","","117.31","0.03","90","","1520.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 Cu N2 -","- C12 H12 Cl4 Cu N2 -","- C48 H48 Cl16 Cu4 N8 -","4","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties","Crystal Growth & Design","2012","12","7","3436","","10.1021/cg201605w","","","0.71073","MoKα","","0.0467","0.0307","","","0.0722","0.1047","","","","","","1.073","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506154","19.966","0.004","9.322","0.0019","23.931","0.005","90","","91.34","0.03","90","","4452.9","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cl7 Cu4 N19 O2 -","- C26 H32 Cl7 Cu4 N19 O2 -","- C104 H128 Cl28 Cu16 N76 O8 -","4","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties","Crystal Growth & Design","2012","12","7","3436","","10.1021/cg201605w","","","0.71073","MoKα","","0.0442","0.032","","","0.0864","0.0928","","","","","","1.054","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506155","5.5877","0.0002","11.4773","0.0005","12.0637","0.0006","90","","99.071","0.001","90","","763.99","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl2 Cu2 N14 -","- C4 H12 Cl2 Cu2 N14 -","- C8 H24 Cl4 Cu4 N28 -","2","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties","Crystal Growth & Design","2012","12","7","3436","","10.1021/cg201605w","","","0.71073","MoKα","","0.0329","0.0255","","","0.0602","0.0691","","","","","","1.098","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506156","12.279","0.003","11.242","0.002","12.789","0.003","90","","111.26","0.03","90","","1645.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Cu5 N32 -","- C12 H12 Cl2 Cu5 N32 -","- C24 H24 Cl4 Cu10 N64 -","2","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties","Crystal Growth & Design","2012","12","7","3436","","10.1021/cg201605w","","","0.71073","MoKα","","0.1521","0.0588","","","0.1122","0.154","","","","","","0.961","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506157","11.6733","0.001","7.8997","0.0008","16.1755","0.0015","90","","98.79","0.001","90","","1474.1","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N6 -","- C36 H24 N6 -","- C72 H48 N12 -","2","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1168","0.0464","","","0.061","0.0701","","","","","","0.965","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506158","8.8313","0.0005","9.821","0.0006","20.9307","0.0013","78.332","0.001","81.613","0.001","67.086","0.001","1633.02","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H31 N7 O -","- C39 H31 N7 O -","- C78 H62 N14 O2 -","2","1","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.069","0.053","","","0.1524","0.1677","","","","","","1.041","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506159","12.68","0.0012","12.7101","0.0013","15.9598","0.0015","74.42","0.001","80.029","0.002","81.581","0.002","2426.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H14 N3 O3.5 Zn -","- C19.5 H14 N3 O3.5 Zn -","- C78 H56 N12 O14 Zn4 -","4","2","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.2443","0.1198","","","0.2332","0.2423","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506160","19.6356","0.0009","16.0764","0.0008","30.783","0.003","90","","101.453","0.006","90","","9523.8","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H16 Br2 Cl3 Hg N3 O0.5 -","- C19.5 H16 Br2 Cl3 Hg N3 O0.5 -","- C312 H256 Br32 Cl48 Hg16 N48 O8 -","16","2","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1153","0.0866","","","0.2539","0.2762","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506161","20.613","0.002","12.798","0.0011","18.8901","0.0017","90","","104.45","0.001","90","","4825.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H75 Cd2 Cl4 N15 O6 -","- C81 H75 Cd2 Cl4 N15 O6 -","- C162 H150 Cd4 Cl8 N30 O12 -","2","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1661","0.0761","","","0.2096","0.2387","","","","","","1.035","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506162","8.4628","0.0012","10.664","0.0015","11.8808","0.0019","80.511","0.001","70.403","0.001","86.894","0.002","996.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H25 Cl Cu2 I2 N6 -","- C36.5 H25 Cl Cu2 I2 N6 -","- C36.5 H25 Cl Cu2 I2 N6 -","1","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.124","0.0651","","","0.1425","0.1597","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506163","7.7348","0.0007","10.3163","0.0011","24.542","0.002","90","","90.353","0.001","90","","1958.3","0.3","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H24 Br2 Cd N6 -","- C36 H24 Br2 Cd N6 -","- C72 H48 Br4 Cd2 N12 -","2","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1725","0.0731","","","0.1454","0.1635","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506164","13.0282","0.0013","9.5994","0.0008","17.9846","0.0017","90","","90.216","0.001","90","","2249.2","0.4","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Ag N4 O5 -","- C18 H16 Ag N4 O5 -","- C72 H64 Ag4 N16 O20 -","4","1","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1297","0.0776","","","0.2027","0.2344","","","","","","0.883","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506165","10.1093","0.0012","13.057","0.0013","24.359","0.0019","85.542","0.002","85.314","0.002","80.749","0.001","3156.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H84 Cd6 N22 O24 S6 -","- C116 H84 Cd6 N22 O24 S6 -","- C116 H84 Cd6 N22 O24 S6 -","1","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.0926","0.0525","","","0.1157","0.1279","","","","","","1.041","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506166","8.8882","0.0004","8.9048","0.0004","12.3155","0.0006","73.268","0.001","85.146","0.001","81.301","0.001","921.87","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","1","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.0511","0.0505","","","0.1349","0.1357","","","","","","1.015","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506167","8.891","0.0006","8.9127","0.0007","12.3096","0.0008","73.314","0.003","85.193","0.004","81.33","0.004","922.85","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","1","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.0643","0.0611","","","0.1559","0.1597","","","","","","1.028","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506168","11.6774","0.0006","13.3074","0.0006","23.8176","0.0012","90","","98.373","0.003","90","","3661.7","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C152 H216 Cu4 N16 O24 -","4","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.0695","0.0475","","","0.1075","0.1174","","","","","","0.987","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506169","30.212","0.008","14.544","0.003","19.125","0.004","90","","117.215","0.008","90","","7473","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H64 Cu2 N4 O8 -","- C60 H64 Cu2 N4 O8 -","- C240 H256 Cu8 N16 O32 -","4","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.1215","0.0809","","","0.2005","0.2231","","","","","","0.937","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506170","3.781","0.0007","17.026","0.0015","10.941","0.004","90","","97.51","0.003","90","","698.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H(3PCO)","3-Pyridyl-cyanoxime","","- C7 H5 N3 O -","- C7 H5 N3 O -","- C28 H20 N12 O4 -","4","1","","Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana","Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations","Crystal Growth & Design","2012","12","6","2877","","10.1021/cg3000763","","","0.71069","MoKα","","0.2488","0.0777","","","0.1513","0.1921","","","","","","0.797","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506171","3.728","0.003","13.938","0.009","13.008","0.009","90","","90.474","0.009","90","","675.9","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H(4PCO)","Oximino-(cyano)-4-pyridine","","- C7 H5 N3 O -","- C7 H5 N3 O -","- C28 H20 N12 O4 -","4","1","","Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana","Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations","Crystal Growth & Design","2012","12","6","2877","","10.1021/cg3000763","","","0.71073","MoKα","","0.1373","0.0792","","","0.1757","0.2067","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506172","3.7364","0.0008","9.365","0.002","12.156","0.003","68.14","0.002","86.965","0.003","79.763","0.003","388.45","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Tl(3PCO)","Thallium(I) 3-pyridylcyanoximate","","- C7 H4 N3 O Tl -","- C7 H4 N3 O Tl -","- C14 H8 N6 O2 Tl2 -","2","1","","Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana","Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations","Crystal Growth & Design","2012","12","6","2877","","10.1021/cg3000763","","","0.71073","MoKα","","0.0293","0.0262","","","0.06","0.0614","","","","","","1.092","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506173","3.899","0.0004","12.38","0.0013","16.7563","0.0017","90","","93.536","0.002","90","","807.28","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tl(4PCO)","Thallium(I) 4-pyridylcyanoximate","","- C7 H4 N3 O Tl -","- C7 H4 N3 O Tl -","- C28 H16 N12 O4 Tl4 -","4","1","","Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana","Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations","Crystal Growth & Design","2012","12","6","2877","","10.1021/cg3000763","","","0.71073","MoKα","","0.0822","0.0589","","","0.1401","0.1533","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506174","16.33","0.003","23.484","0.004","14.805","0.002","90","","90","","90","","5677.6","1.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H49.5 Cu6 N16 O12 -","- C44.92 H42.24 Cu6 N16 O11.8 -","- C179.68 H168.96 Cu24 N64 O47.2 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Guedes da Silva, M. Fátima C.; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Pombeiro, Armando J. L.","New Coordination Polymers and Porous Supramolecular Metal Organic Network Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bypiridine. 1°","Crystal Growth & Design","2012","12","6","2890","","10.1021/cg300080a","","","0.71073","MoKα","","0.0982","0.0661","","","0.111","0.1228","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506175","12.58","0.002","24.563","0.005","33.566","0.007","90","","90","","90","","10372","3","298","2","298","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C21 H16 Ag2 N4 O2 -","- C21 H16 Ag2 N4 O2 -","- C336 H256 Ag32 N64 O32 -","16","0.5","","Sun, Di; Yan, Zhi-Hao; Liu, Meijiao; Xie, Hanyi; Yuan, Shuai; Lu, Haifeng; Feng, Shengyu; Sun, Daofeng","Three- and Eight-Fold Interpenetrated ThSi2Metal‒Organic Frameworks Fine-Tuned by the Length of Ligand","Crystal Growth & Design","2012","12","6","2902","","10.1021/cg300085f","","","0.71073","","","0.0631","0.0566","","","0.1545","0.1638","","","","","","1.093","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506176","26.397","0.002","8.3246","0.0007","18.7008","0.0015","90","","90","","90","","4109.4","0.6","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Ag N2 O2 -","- C17 H12 Ag N2 O2 -","- C136 H96 Ag8 N16 O16 -","8","1","","Sun, Di; Yan, Zhi-Hao; Liu, Meijiao; Xie, Hanyi; Yuan, Shuai; Lu, Haifeng; Feng, Shengyu; Sun, Daofeng","Three- and Eight-Fold Interpenetrated ThSi2Metal‒Organic Frameworks Fine-Tuned by the Length of Ligand","Crystal Growth & Design","2012","12","6","2902","","10.1021/cg300085f","","","0.71073","MoKα","","0.0415","0.0318","","","0.0828","0.0866","","","","","","1.037","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506177","9.376","0.003","12.139","0.004","13.585","0.004","90","","90.636","0.005","90","","1546.1","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0369","0.0326","","","0.085","0.088","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506178","9.4455","0.0019","12.131","0.002","13.454","0.003","90","","90.798","0.002","90","","1541.5","0.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C72 H56 F4 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0396","0.034","","","0.0859","0.0903","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506179","8.196","0.003","9.587","0.003","11.427","0.004","101.227","0.003","108.692","0.003","103.611","0.004","790.3","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C36 H28 F2 N2 O6 S2 -","2","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0402","0.0352","","","0.0883","0.0916","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506180","9.489","0.0019","12.364","0.003","13.425","0.003","90","","91.139","0.002","90","","1574.7","0.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C72 H56 F4 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0395","0.0332","","","0.0835","0.0875","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506181","8.664","0.008","16.092","0.015","12.122","0.011","90","","101.455","0.011","90","","1656","3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C72 H56 F4 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.1002","0.0613","","","0.1853","0.2305","","","","","","0.965","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506182","8.25","0.003","9.528","0.003","11.468","0.004","102.597","0.004","107.235","0.004","104.579","0.003","790.4","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C36 H28 F2 N2 O6 S2 -","2","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0837","0.0542","","","0.1275","0.1433","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506183","9.667","0.002","5.5354","0.0012","28.746","0.006","90","","97.79","0.002","90","","1524","0.6","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C72 H56 F4 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.06","0.0408","","","0.0969","0.1052","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506184","8.865","0.003","19.508","0.006","9.849","0.003","90","","98.662","0.003","90","","1683.8","0.9","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F5 N O3 S -","- C18 H10 F5 N O3 S -","- C72 H40 F20 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0364","0.0323","","","0.0829","0.085","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506185","7.887","0.003","5.8359","0.0019","17.557","0.006","90","","93.745","0.004","90","","806.4","0.5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H10 F5 N O3 S -","- C18 H10 F5 N O3 S -","- C36 H20 F10 N2 O6 S2 -","2","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0384","0.033","","","0.0756","0.0782","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506186","9.363","0.003","24.015","0.008","9.747","0.003","90","","101.286","0.004","90","","2149.3","1.2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F5 N O4 S -","- C22 H18 F5 N O4 S -","- C88 H72 F20 N4 O16 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0846","0.0795","","","0.1864","0.19","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506187","32.308","0.006","12.271","0.002","20.7","0.004","90","","90","","90","","8207","3","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C84 H100 Dy4 O36 S8 -","- C84 H100 Dy4 O36 S8 -","- C168 H200 Dy8 O72 S16 -","2","0.25","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Syntheses, Crystal Structures, and Magnetic Properties of Twop-tert-Butylsulfonylcalix[4]arene Supported Cluster Complexes with a Totally Disordered Ln4(OH)4Cubane Core","Crystal Growth & Design","2012","12","6","2948","","10.1021/cg300173t","","","0.71073","MoKα","","0.0823","0.0658","","","0.1811","0.1899","","","","","","1.011","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506188","32.268","0.006","12.356","0.002","20.79","0.004","90","","90","","90","","8289","3","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C84 H100 Ho4 O36 S8 -","- C84 H100 Ho4 O36 S8 -","- C168 H200 Ho8 O72 S16 -","2","0.25","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Syntheses, Crystal Structures, and Magnetic Properties of Twop-tert-Butylsulfonylcalix[4]arene Supported Cluster Complexes with a Totally Disordered Ln4(OH)4Cubane Core","Crystal Growth & Design","2012","12","6","2948","","10.1021/cg300173t","","","0.71073","MoKα","","0.0688","0.0594","","","0.1718","0.1779","","","","","","1.059","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506189","10.4668","0.0004","23.066","0.0009","6.9667","0.0002","90","","90","","90","","1681.95","0.1","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","Pridopidine hydrochloride form I","","","- C15 H24 Cl N O2 S -","- C15 H24 Cl N O2 S -","- C60 H96 Cl4 N4 O8 S4 -","4","1","","Zimmermann, Anne; Frøstrup, Brian; Bond, Andrew D.","Polymorphs of Pridopidine Hydrochloride","Crystal Growth & Design","2012","12","6","2961","","10.1021/cg300185n","","","0.71073","MoKα","","0.0384","0.0295","","","0.0674","0.0701","","","","","","1.038","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506190","12.2441","0.0004","13.4701","0.0004","10.2207","0.0003","90","","91.117","0.001","90","","1685.37","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pridopidine hydrochloride form II","","","- C15 H24 Cl N O2 S -","- C15 H24 Cl N O2 S -","- C60 H96 Cl4 N4 O8 S4 -","4","1","","Zimmermann, Anne; Frøstrup, Brian; Bond, Andrew D.","Polymorphs of Pridopidine Hydrochloride","Crystal Growth & Design","2012","12","6","2961","","10.1021/cg300185n","","","0.71073","MoKα","","0.0526","0.0377","","","0.0989","0.1064","","","","","","1.067","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506191","5.6947","0.001","8.1334","0.0013","25.063","0.005","90","","90","","90","","1160.8","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O S -","- C13 H12 O S -","- C52 H48 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0542","0.0386","","","0.0952","0.1029","","","","","","1.064","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506192","16.011","0.003","32.093","0.006","4.0823","0.0008","90","","90","","90","","2097.7","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H8 O S2 -","- C12 H8 O S2 -","- C96 H64 O8 S16 -","8","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0336","0.0296","","","0.0662","0.0685","","","","","","1.125","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506193","5.505","0.0005","9.1593","0.0009","13.5985","0.0013","83.769","0.002","86.622","0.002","84.422","0.002","677.57","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O S -","- C16 H18 O S -","- C32 H36 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0315","0.0297","","","0.0798","0.0816","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506194","10.2726","0.0019","10.3038","0.0019","11.177","0.002","113.093","0.004","108.007","0.005","100.815","0.005","968.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 F4 I2 O S -","- C18 H10 F4 I2 O S -","- C36 H20 F8 I4 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0446","0.0286","","","0.0547","0.0617","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506195","9.5808","0.0006","22.0739","0.0015","9.5433","0.0006","90","","91.15","0.001","90","","2017.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 I2 O S -","- C19 H12 F4 I2 O S -","- C76 H48 F16 I8 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0594","0.0388","","","0.0902","0.1025","","","","","","1.025","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506196","14.198","0.004","5.8227","0.0017","24.354","0.005","90","","90.205","0.005","90","","2013.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 I2 O S -","- C19 H12 F4 I2 O S -","- C76 H48 F16 I8 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0596","0.033","","","0.0632","0.0731","","","","","","1.028","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506197","8.1472","0.0017","8.474","0.002","15.551","0.004","99.47","0.004","98.137","0.008","94.507","0.004","1042.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 F4 I2 O2 S -","- C19 H12 F4 I2 O2 S -","- C38 H24 F8 I4 O4 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0466","0.0365","","","0.0873","0.0942","","","","","","1.032","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506198","4.1227","0.0007","27.533","0.004","13.44","0.002","90","","97.344","0.003","90","","1513.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 F2 I O S2 -","- C15 H8 F2 I O S2 -","- C60 H32 F8 I4 O4 S8 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0661","0.0572","","","0.1451","0.1492","","","","","","1.198","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506199","5.5999","0.0011","12.995","0.003","13.328","0.003","100.059","0.007","95.123","0.007","95.356","0.007","945.3","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 F2 I O S -","- C19 H18 F2 I O S -","- C38 H36 F4 I2 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.057","0.0353","","","0.0775","0.0851","","","","","","1.023","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506200","17.031","0.005","17.031","0.005","13.922","0.004","90","","90","","120","","3497.1","1.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Ahmad, Musheer; Sañudo, E. Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Two New Coordination Polymers with Co(II) and Mn(II): Selective Gas Adsorption and Magnetic Studies","Crystal Growth & Design","2012","12","6","2999","","10.1021/cg300217v","","","0.71073","MoKα","","0.1043","0.073","","","0.1817","0.1957","","","","","","0.949","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506201","13.611","0.005","14.58","0.006","15.041","0.004","71.922","0.003","65.006","0.004","80.586","0.006","2570","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H78 Mn3 N24 O12 -","- C126 H78 Mn3 N24 O12 -","- C126 H78 Mn3 N24 O12 -","1","0.5","","Agarwal, Rashmi A.; Aijaz, Arshad; Ahmad, Musheer; Sañudo, E. Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Two New Coordination Polymers with Co(II) and Mn(II): Selective Gas Adsorption and Magnetic Studies","Crystal Growth & Design","2012","12","6","2999","","10.1021/cg300217v","","","0.71073","MoKα","","0.178","0.0974","","","0.2423","0.3579","","","","","","1.039","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506202","9.7156","0.0019","10.047","0.002","11.134","0.002","67.25","0.03","77.74","0.03","66.87","0.03","919.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N O8 Zn2 -","- C20 H12 N O8 Zn2 -","- C40 H24 N2 O16 Zn4 -","2","1","","He, Kun-Huan; Li, Yun-Wu; Chen, Yong-Qiang; Song, Wei-Chao; Bu, Xian-He","Employing Zinc Clusters as SBUs To Construct (3,8) and (3,14)-Connected Coordination Networks: Structures, Topologies, and Luminescence","Crystal Growth & Design","2012","12","6","2730","","10.1021/cg300218z","","","0.71073","MoKα","","0.066","0.0444","","","0.0727","0.0773","","","","","","1.072","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506203","11.419","0.002","12.719","0.003","13.441","0.003","96.63","0.03","111.56","0.03","90.8","0.03","1800.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 N4 O37 Zn7 -","- C74 H40 N4 O37 Zn7 -","- C74 H40 N4 O37 Zn7 -","1","0.5","","He, Kun-Huan; Li, Yun-Wu; Chen, Yong-Qiang; Song, Wei-Chao; Bu, Xian-He","Employing Zinc Clusters as SBUs To Construct (3,8) and (3,14)-Connected Coordination Networks: Structures, Topologies, and Luminescence","Crystal Growth & Design","2012","12","6","2730","","10.1021/cg300218z","","","0.71073","MoKα","","0.0778","0.0586","","","0.1406","0.1509","","","","","","1.025","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506204","7.2331","0.001","7.9989","0.0011","13.7505","0.0018","79.317","0.002","78.741","0.002","71.096","0.001","731.74","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Ag2 N12 O8 -","- C26 H26 Ag2 N12 O8 -","- C26 H26 Ag2 N12 O8 -","1","0.5","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer‒Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.0749","0.0484","","","0.1037","0.1725","","","","","","1.26","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506205","22.321","0.004","12.638","0.003","31.194","0.004","90","","95.07","0.04","90","","8765","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 Ag4 N34 O22 -","- C78 H84 Ag4 N34 O22 -","- C312 H336 Ag16 N136 O88 -","4","1","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer‒Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.0935","0.0589","","","0.1293","0.151","","","","","","1.022","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506206","9.915","0.002","9.942","0.002","16.461","0.003","101.292","0.005","98.813","0.004","93.59","0.003","1565.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Ag2 Cl2 N10 O10 -","- C26 H26 Ag2 Cl2 N10 O10 -","- C52 H52 Ag4 Cl4 N20 O20 -","2","1","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer‒Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.1096","0.0667","","","0.1594","0.242","","","","","","1.116","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506207","30.163","0.005","30.163","0.005","6.574","0.005","90","","90","","90","","5981","5","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C26 H28 Ag F6 N10 O3 P -","- C26 H28 Ag F6 N10 O3 P -","- C208 H224 Ag8 F48 N80 O24 P8 -","8","1","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer‒Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.1161","0.0704","","","0.1735","0.2075","","","","","","1.033","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506208","11.14","0.002","17.579","0.004","7.8365","0.0016","90","","106.23","0.03","90","","1473.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Mn3 N2 O14 -","- C28 H20 Mn3 N2 O14 -","- C56 H40 Mn6 N4 O28 -","2","0.5","","Liu, Yanyan; Li, Huijun; Han, Yi; Lv, Xiaofeng; Hou, Hongwei; Fan, Yaoting","Template-Assisted Synthesis of Co,Mn-MOFs with Magnetic Properties Based on Pyridinedicarboxylic Acid","Crystal Growth & Design","2012","12","7","3505","","10.1021/cg300237e","","","0.71073","MoKα","","0.0707","0.0545","","","0.1407","0.1527","","","","","","1.094","","","","has coordinates","288539","2023-12-24","00:56:28",""
"4506209","7.2133","0.0014","10.076","0.002","10.213","0.002","113.83","0.03","99.51","0.03","104.3","0.03","627.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Co N O6 -","- C13 H11 Co N O6 -","- C26 H22 Co2 N2 O12 -","2","1","","Liu, Yanyan; Li, Huijun; Han, Yi; Lv, Xiaofeng; Hou, Hongwei; Fan, Yaoting","Template-Assisted Synthesis of Co,Mn-MOFs with Magnetic Properties Based on Pyridinedicarboxylic Acid","Crystal Growth & Design","2012","12","7","3505","","10.1021/cg300237e","","","0.71073","MoKα","","0.0898","0.0613","","","0.1916","0.2859","","","","","","1.066","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506210","11.023","0.002","11.495","0.002","13.324","0.003","104.17","0.03","96.75","0.03","108.01","0.03","1522.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Mn2 N2 O17 -","- C26 H32 Mn2 N2 O17 -","- C52 H64 Mn4 N4 O34 -","2","1","","Liu, Yanyan; Li, Huijun; Han, Yi; Lv, Xiaofeng; Hou, Hongwei; Fan, Yaoting","Template-Assisted Synthesis of Co,Mn-MOFs with Magnetic Properties Based on Pyridinedicarboxylic Acid","Crystal Growth & Design","2012","12","7","3505","","10.1021/cg300237e","","","0.71073","MoKα","","0.0914","0.0763","","","0.1792","0.1904","","","","","","1.135","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506211","10.096","0.002","10.992","0.002","15.649","0.003","86.29","0.03","73.19","0.03","65.78","0.03","1513.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Co N O6 -","- C15 H15 Co N O6 -","- C60 H60 Co4 N4 O24 -","4","2","","Liu, Yanyan; Li, Huijun; Han, Yi; Lv, Xiaofeng; Hou, Hongwei; Fan, Yaoting","Template-Assisted Synthesis of Co,Mn-MOFs with Magnetic Properties Based on Pyridinedicarboxylic Acid","Crystal Growth & Design","2012","12","7","3505","","10.1021/cg300237e","","","0.71073","MoKα","","0.0797","0.0653","","","0.1529","0.1634","","","","","","1.107","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506212","11.8853","0.0006","15.1757","0.0003","16.3121","0.0004","117.609","0.001","101.656","0.001","98.593","0.001","2451.22","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 Eu4 N12 O38 -","- C80 H104 Eu4 N12 O38 -","- C80 H104 Eu4 N12 O38 -","1","0.5","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0307","0.0244","","","0.061","0.0645","","","","","","1.047","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506213","11.8824","0.0008","15.1316","0.0004","16.265","0.0004","117.587","0.001","101.609","0.001","98.559","0.001","2438.29","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 N12 O38 Tb4 -","- C80 H104 N12 O38 Tb4 -","- C80 H104 N12 O38 Tb4 -","1","0.5","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0295","0.0241","","","0.0591","0.0617","","","","","","1.047","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506214","11.9347","0.0013","15.2341","0.0007","16.4153","0.0008","117.624","0.001","101.559","0.002","98.735","0.002","2485.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 N12 Nd4 O38 -","- C80 H104 N12 Nd4 O38 -","- C80 H104 N12 Nd4 O38 -","1","0.5","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0313","0.0251","","","0.0626","0.0662","","","","","","1.042","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506215","7.8102","0.0002","19.4048","0.0005","17.9157","0.0005","90","","100.225","0.001","90","","2672.1","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Ag Eu N4 O17 -","- C16 H22 Ag Eu N4 O17 -","- C64 H88 Ag4 Eu4 N16 O68 -","4","1","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0294","0.0236","","","0.0558","0.0585","","","","","","1.039","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506216","7.763","0.0003","19.3892","0.0009","17.8634","0.0009","90","","100.466","0.002","90","","2644","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Ag N4 O17 Tb -","- C16 H22 Ag N4 O17 Tb -","- C64 H88 Ag4 N16 O68 Tb4 -","4","1","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0274","0.0226","","","0.0545","0.057","","","","","","1.04","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506217","7.8624","0.0002","19.4751","0.0004","17.7244","0.0004","90","","100.047","0.001","90","","2672.36","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Ag N4 Nd O17 -","- C16 H22 Ag N4 Nd O17 -","- C64 H88 Ag4 N16 Nd4 O68 -","4","1","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0521","0.033","","","0.0716","0.0799","","","","","","1.004","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506218","20.2967","0.001","20.2967","0.001","5.4228","0.0006","90","","90","","90","","2234","0.3","298","2","298","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C38 H44 Cl2 Cu N8 O10 S -","- C36 H28 Cl2 Cu N8 O8 -","- C72 H56 Cl4 Cu2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1107","0.0985","","","0.238","0.2455","","","","","","1.279","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506219","20.438","0.003","20.438","0.003","5.4632","0.0014","90","","90","","90","","2282","0.8","298","2","298","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C38 H44 Cl Cu F N8 O10 S -","- C36 H28 Cl Cu F N8 O8 -","- C72 H56 Cl2 Cu2 F2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1033","0.0913","","","0.268","0.2781","","","","","","1.124","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506220","20.658","0.003","20.658","0.003","5.6117","0.0009","90","","90","","90","","2394.8","0.6","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C36 H38 Br2 Cu N8 O9 -","- C36 H28 Br2 Cu N8 O8 -","- C72 H56 Br4 Cu2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1369","0.1254","","","0.3298","0.3404","","","","","","1.156","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506221","21.6145","0.0004","21.6145","0.0004","5.1678","0.0001","90","","90","","90","","2414.33","0.08","298","2","298","2","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C36 H42 Cl2 Cu N8 O11 -","- C36 H28 Cl2 Cu N8 O7 -","- C72 H56 Cl4 Cu2 N16 O14 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.082","0.0715","","","0.212","0.2263","","","","","","1.161","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506222","4.7938","0.0005","6.2178","0.0005","26.844","0.003","90","","90","","90","","800.14","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4ASA_NH4_I","","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","1","","André, Vânia; Duarte, M. Teresa; Braga, Dario; Grepioni, Fabrizia","Polymorphic Ammonium Salts of the Antibiotic 4-Aminosalicylic Acid","Crystal Growth & Design","2012","12","6","3082","","10.1021/cg300284z","","","0.71073","MoKα","","0.1569","0.0564","","","0.0441","0.0556","","","","","","0.906","","","","has coordinates","288537","2023-12-24","00:31:12",""
"4506223","4.805","0.0004","12.029","0.0007","14.523","0.0009","90","","90","","90","","839.42","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4ASA_NH4_II","","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","1","","André, Vânia; Duarte, M. Teresa; Braga, Dario; Grepioni, Fabrizia","Polymorphic Ammonium Salts of the Antibiotic 4-Aminosalicylic Acid","Crystal Growth & Design","2012","12","6","3082","","10.1021/cg300284z","","","0.71069","MoKα","","0.0543","0.034","","","0.0606","0.0646","","","","","","0.855","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506224","8.736","0.003","3.76","0.001","29.484","0.008","90","","94.972","0.013","90","","964.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4ASA_NH4_III","","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","1","","André, Vânia; Duarte, M. Teresa; Braga, Dario; Grepioni, Fabrizia","Polymorphic Ammonium Salts of the Antibiotic 4-Aminosalicylic Acid","Crystal Growth & Design","2012","12","6","3082","","10.1021/cg300284z","","","0.71073","MoKα","","0.3533","0.1805","","","0.4067","0.4694","","","","","","1.202","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506225","38.591","0.0008","38.591","0.0008","38.591","0.0008","90","","90","","90","","57472","2","263","2","263","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C66 H36 N2 O41 Zn7 -","- C66 H36 N2 O41 Zn7 -","- C1056 H576 N32 O656 Zn112 -","16","0.0833333","","Zhao, Xiaoliang; Wang, Xiaoyang; Wang, Suna; Dou, Jianmin; Cui, Peipei; Chen, Zhen; Sun, Di; Wang, Xingpo; Sun, Daofeng","Novel Metal‒Organic Framework Based on Cubic and Trisoctahedral Supermolecular Building Blocks: Topological Analysis and Photoluminescent Property","Crystal Growth & Design","2012","12","6","2736","","10.1021/cg3002866","","","1.54178","CuKα","","0.1048","0.076","","","0.2391","0.2614","","","","","","1.033","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506226","21.3393","0.0006","7.29604","0.00016","3.77733","0.00008","90","","94.824","0.0012","90","","586.02","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Williams, P. Andrew; Hughes, Colan E.; Lim, Gin Keat; Kariuki, Benson M.; Harris, Kenneth D. M.","Discovery of a New System Exhibiting Abundant Polymorphism:m-Aminobenzoic Acid","Crystal Growth & Design","2012","12","6","3104","","10.1021/cg3003178","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506227","14.787","0.0007","4.95659","0.00018","9.0814","0.0004","90","","95.2119","0.0021","90","","662.85","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O2 -","- C7 H6.9998 N O2 -","- C28 H27.9992 N4 O8 -","4","1","","Williams, P. Andrew; Hughes, Colan E.; Lim, Gin Keat; Kariuki, Benson M.; Harris, Kenneth D. M.","Discovery of a New System Exhibiting Abundant Polymorphism:m-Aminobenzoic Acid","Crystal Growth & Design","2012","12","6","3104","","10.1021/cg3003178","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506228","4.7815","0.0004","7.9307","0.0005","20.853","0.0015","89.025","0.004","83.942","0.004","73.13","0.004","752.43","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 O4 S -","- C18 H12 O4 S -","- C36 H24 O8 S2 -","2","1","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0431","0.033","","","0.0961","0.1166","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506229","4.941","0.002","10.113","0.005","30.621","0.014","90","","93.72","0.03","90","","1526.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O4 S -","- C18 H12 O4 S -","- C72 H48 O16 S4 -","4","1","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.214","0.1023","","","0.1937","0.2234","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506230","4.9035","0.0003","22.1468","0.0012","27.4868","0.0014","90","","90","","90","","2985","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 O4 S -","- C18 H12 O4 S -","- C144 H96 O32 S8 -","8","2","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0375","0.0313","","","0.0722","0.0751","","","","","","1.051","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506231","7.7394","0.0003","13.4693","0.0006","24.0125","0.0012","103.506","0.004","99.067","0.003","96.329","0.003","2375.18","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H39 N O12 S3 -","- C56 H39 N O12 S3 -","- C112 H78 N2 O24 S6 -","2","1","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0697","0.0452","","","0.1318","0.1517","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506232","5.0244","0.0003","9.5728","0.0006","19.9981","0.0013","82.573","0.005","84.043","0.004","85.488","0.005","946.56","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 N O4 S -","- C23 H16 N O4 S -","- C46 H32 N2 O8 S2 -","2","1","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0493","0.0492","","","0.1345","0.1345","","","","","","0.954","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506233","11.5256","0.0005","18.2862","0.0006","5.5638","0.0002","90","","90","","90","","1172.62","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Phenazopyridine Monohydrate","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.0528","0.0442","","","0.1074","0.1163","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506234","15.3617","0.0004","7.1053","0.0002","16.8264","0.0005","90","","104.22","0.003","90","","1780.32","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenazopyridine phthalimide","","","- C19 H16 N6 O2 -","- C19 H16 N6 O2 -","- C76 H64 N24 O8 -","4","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.065","0.0541","","","0.1531","0.1743","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506235","6.1302","0.0004","24.1397","0.0012","11.8866","0.0006","90","","103.251","0.005","90","","1712.16","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Phenazopyridine Benzoate Monohydrate","","","- C18 H19 N5 O3 -","- C18 H19 N5 O3 -","- C72 H76 N20 O12 -","4","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.1136","0.0783","","","0.2181","0.2636","","","","","","1.092","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506236","13.2789","0.0002","10.3034","0.0002","26.0066","0.0004","90","","97.728","0.002","90","","3525.85","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phenazopyridine 4-hydroxyphenylacetic acid","","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C152 H152 N40 O24 -","8","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.0573","0.0433","","","0.1074","0.1247","","","","","","1.041","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506237","7.4108","0.0005","7.8292","0.0005","17.7574","0.0009","84.729","0.005","85.353","0.005","63.728","0.007","919.02","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Phenazopyridine Saccharate","","","- C18 H18 N6 O3 S -","- C18 H16 N6 O3 S -","- C36 H32 N12 O6 S2 -","2","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.059","0.0486","","","0.132","0.1402","","","","","","1.052","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506238","10.22","0.002","23.211","0.003","17.646","0.005","90","","90.688","0.005","90","","4185.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Co3 N2 O20 -","- C42 H24 Co3 N2 O20 -","- C168 H96 Co12 N8 O80 -","4","1","","Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior","Crystal Growth & Design","2012","12","6","3158","","10.1021/cg300330p","","","0.71073","MoKα","","0.0833","0.0564","","","0.1337","0.1522","","","","","","1.053","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506239","10.14","0.002","10.148","0.004","11.369","0.005","92.076","0.005","94.575","0.004","115.448","0.006","1049.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Co3 N4 O14 -","- C50 H30 Co3 N4 O14 -","- C50 H30 Co3 N4 O14 -","1","0.5","","Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior","Crystal Growth & Design","2012","12","6","3158","","10.1021/cg300330p","","","0.71073","MoKα","","0.0429","0.0382","","","0.0974","0.102","","","","","","1.068","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506240","9.604","0.003","10.852","0.004","11.414","0.006","64.684","0.003","85.395","0.005","65.539","0.006","972","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Co2 N2 O8 -","- C20 H12 Co2 N2 O8 -","- C40 H24 Co4 N4 O16 -","2","1","","Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior","Crystal Growth & Design","2012","12","6","3158","","10.1021/cg300330p","","","0.71073","MoKα","","0.0676","0.0508","","","0.1182","0.1322","","","","","","1.034","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506241","8.422","0.003","8.874","0.005","14.509","0.004","102.467","0.003","90.171","0.006","101.097","0.005","1037.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Co N2 O7 -","- C23 H18 Co N2 O7 -","- C46 H36 Co2 N4 O14 -","2","1","","Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior","Crystal Growth & Design","2012","12","6","3158","","10.1021/cg300330p","","","0.71073","MoKα","","0.0601","0.0453","","","0.1119","0.1232","","","","","","1.026","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506242","9.5761","0.0004","11.3729","0.0004","12.5759","0.0005","66.664","0.002","79.047","0.002","66.456","0.002","1152.07","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H19 N3 O5 -","- C29 H19 N3 O5 -","- C58 H38 N6 O10 -","2","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0542","0.0435","","","0.1207","0.1293","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506243","12.8111","0.0005","28.4327","0.0011","7.3022","0.0003","90","","95.295","0.002","90","","2648.51","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N3 O5 -","- C33 H23 N3 O5 -","- C132 H92 N12 O20 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0591","0.0399","","","0.09","0.0988","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506244","9.3707","0.0018","19.583","0.004","18.346","0.004","90","","99.264","0.01","90","","3322.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H58 N7 O10 -","- C83 H58 N7 O10 -","- C166 H116 N14 O20 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0559","0.0428","","","0.112","0.122","","","","","","1.034","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506245","9.2947","0.0007","15.4314","0.0012","15.7079","0.0011","90","","95.373","0.004","90","","2243.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O5 -","- C28 H18 N2 O5 -","- C112 H72 N8 O20 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0698","0.047","","","0.1171","0.1323","","","","","","1.017","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506246","9.5272","0.0006","13.238","0.0009","13.3281","0.0009","95.328","0.003","97.809","0.004","93.357","0.003","1653.85","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H56 N8 O10 -","- C82 H56 N8 O10 -","- C82 H56 N8 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0584","0.0421","","","0.1108","0.124","","","","","","1.031","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506247","7.978","0.0007","10.9945","0.0009","22.1724","0.0018","76.991","0.005","84.185","0.006","86.845","0.006","1884.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H62 N9 O10 -","- C91 H62 N9 O10 -","- C91 H62 N9 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.169","0.0783","","","0.1985","0.2437","","","","","","1.164","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506248","8.0305","0.0003","8.0978","0.0004","14.9519","0.0009","93.677","0.003","91.105","0.003","117.764","0.002","857.27","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C40 H28 N4 O10 -","2","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0408","0.0366","","","0.1","0.1043","","","","","","1.034","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506249","9.3051","0.0003","9.335","0.0003","13.753","0.0004","98.58","0.002","101.655","0.002","96.513","0.002","1144.12","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H35 N5 O10 -","- C53 H35 N5 O10 -","- C53 H35 N5 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0567","0.0474","","","0.1315","0.1408","","","","","","1.045","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506250","8.4869","0.0007","8.8222","0.0008","14.4413","0.0013","105.395","0.006","102.23","0.006","97.442","0.006","998.81","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H33 N5 O14 -","- C43 H33 N5 O14 -","- C43 H33 N5 O14 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0812","0.0564","","","0.1488","0.1662","","","","","","1.033","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506251","8.1871","0.0002","9.4937","0.0002","14.0258","0.0003","72.964","0.001","80.858","0.001","73.471","0.001","995.86","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N2 O5.4 -","- C24 H16 N2 O5.4 -","- C48 H32 N4 O10.8 -","2","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0432","0.0362","","","0.0952","0.1028","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506252","11.0696","0.0013","9.315","0.0011","15.1284","0.0018","90","","93.256","0.001","90","","1557.4","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Ce N O14 P2 -","- C6 H18 Ce N O14 P2 -","- C24 H72 Ce4 N4 O56 P8 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0451","0.0344","","","0.0802","0.0864","","","","","","1.05","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506253","11.0215","0.001","9.2494","0.0009","15.189","0.0014","90","","93.117","0.001","90","","1546.1","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N O14 P2 Pr -","- C6 H18 N O14 P2 Pr -","- C24 H72 N4 O56 P8 Pr4 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0375","0.0307","","","0.0783","0.0836","","","","","","1.06","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506254","10.9897","0.0009","9.1988","0.0008","15.2172","0.0012","90","","93.037","0.001","90","","1536.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N Nd O14 P2 -","- C6 H18 N Nd O14 P2 -","- C24 H72 N4 Nd4 O56 P8 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0402","0.0353","","","0.0859","0.0893","","","","","","1.074","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506255","10.9144","0.0006","9.1007","0.0005","15.2336","0.0009","90","","92.963","0.001","90","","1511.11","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Eu N O13 P2 -","- C6 H16 Eu N O13 P2 -","- C24 H64 Eu4 N4 O52 P8 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0317","0.0304","","","0.0766","0.0774","","","","","","1.08","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506256","10.8542","0.0018","9.0738","0.0015","15.25","0.003","90","","92.902","0.002","90","","1500","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N O13 P2 Tb -","- C6 H16 N O13 P2 Tb -","- C24 H64 N4 O52 P8 Tb4 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0566","0.0354","","","0.0705","0.0775","","","","","","1.032","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506257","10.9419","0.0004","9.127","0.0004","15.2352","0.0006","90","","93.017","0.001","90","","1519.38","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N O13 P2 Sm -","- C6 H16 N O13 P2 Sm -","- C24 H64 N4 O52 P8 Sm4 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0318","0.0295","","","0.0761","0.0779","","","","","","1.032","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506258","12.033","0.004","14.992","0.004","12.409","0.004","90","","99.436","0.009","90","","2208.3","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 Cu2 N10 Ni3 O6 S4 -","- C28 H60 Cu2 N10 Ni3 O6 S4 -","- C56 H120 Cu4 N20 Ni6 O12 S8 -","2","0.5","","Buvaylo, Elena A.; Nesterova, Oksana V.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Boča, Roman; Nesterov, Dmytro S.","Discussion of Planarity of Molecular Structures Using Novel Pentanuclear Cu/Ni Complexes as an Example","Crystal Growth & Design","2012","12","6","3200","","10.1021/cg300353b","","","0.71073","MoKα","","0.1889","0.058","","","0.1149","0.1574","","","","","","0.888","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506259","10.8948","0.0004","16.0279","0.0006","21.7661","0.0005","90","","90","","90","","3800.8","0.2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Cl4 Cu2 N6 Ni3 O6 -","- C24 H60 Cl4 Cu2 N6 Ni3 O6 -","- C96 H240 Cl16 Cu8 N24 Ni12 O24 -","4","0.5","","Buvaylo, Elena A.; Nesterova, Oksana V.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Boča, Roman; Nesterov, Dmytro S.","Discussion of Planarity of Molecular Structures Using Novel Pentanuclear Cu/Ni Complexes as an Example","Crystal Growth & Design","2012","12","6","3200","","10.1021/cg300353b","","","0.71073","MoKα","","0.0743","0.0285","","","0.0672","0.0954","","","","","","0.564","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506260","15.2594","0.0005","31.5686","0.0007","16.877","0.0005","90","","107.906","0.003","90","","7736.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Cl Cu2 La2 N4 O18 -","- C33 H23 Cl Cu2 La2 N4 O17 -","- C264 H184 Cl8 Cu16 La16 N32 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0559","0.0366","","","0.0997","0.1215","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506261","15.24","0.0007","31.4564","0.0011","16.8503","0.0008","90","","107.784","0.005","90","","7692","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br Cu2 La2 N4 O18 -","- C33 H23 Br Cu2 La2 N4 O17 -","- C264 H184 Br8 Cu16 La16 N32 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0768","0.0379","","","0.0803","0.1141","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506262","15.2485","0.0005","31.4732","0.001","16.8546","0.0005","90","","107.647","0.004","90","","7708.2","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Cu2 I La2 N4 O18 -","- C33 H23 Cu2 I La2 N4 O17 -","- C264 H184 Cu16 I8 La16 N32 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0461","0.0334","","","0.094","0.1084","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506263","15.1392","0.0003","31.441","0.0006","16.7589","0.0004","90","","108.327","0.002","90","","7572.5","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Cl Cu2 N4 Nd2 O18 -","- C33 H23 Cl Cu2 N4 Nd2 O17 -","- C264 H184 Cl8 Cu16 N32 Nd16 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0408","0.031","","","0.0948","0.1035","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506264","15.149","0.004","31.394","0.008","16.763","0.005","90","","108.193","0.004","90","","7574","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br Cu2 N4 Nd2 O18 -","- C33 H23 Br Cu2 N4 Nd2 O17 -","- C264 H184 Br8 Cu16 N32 Nd16 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0513","0.0453","","","0.1139","0.1214","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506265","11.4105","0.0007","15.4575","0.0012","18.0044","0.0009","69.975","0.006","80.507","0.005","68.549","0.006","2774.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H64 Cu9 I7 N12 O42 Pr6 -","- C90 H64 Cu9 I7 N12 O42 Pr6 -","- C90 H64 Cu9 I7 N12 O42 Pr6 -","1","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0471","0.0324","","","0.0796","0.1008","","","","","","1.017","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506266","11.3895","0.0003","15.3887","0.0006","17.9731","0.0006","70.025","0.003","80.612","0.002","68.612","0.003","2754.06","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H64 Cu9 I7 N12 Nd6 O42 -","- C90 H64 Cu9 I7 N12 Nd6 O42 -","- C90 H64 Cu9 I7 N12 Nd6 O42 -","1","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0516","0.035","","","0.0814","0.1","","","","","","1.016","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506267","8.0191","0.0002","17.305","0.0005","23.3034","0.0005","90","","90","","90","","3233.83","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cu La2 N2 O20 -","- C30 H22 Cu La2 N2 O20 -","- C120 H88 Cu4 La8 N8 O80 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0305","0.0227","","","0.0514","0.0569","","","","","","1.01","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506268","7.9905","0.0003","17.245","0.0005","23.2987","0.0007","90","","90","","90","","3210.47","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ce2 Cu N2 O20 -","- C30 H22 Ce2 Cu N2 O20 -","- C120 H88 Ce8 Cu4 N8 O80 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0336","0.0267","","","0.0695","0.0731","","","","","","1.021","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506269","7.9529","0.0002","17.2466","0.0007","23.2702","0.0007","90","","90","","90","","3191.75","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cu N2 O20 Pr2 -","- C30 H22 Cu N2 O20 Pr2 -","- C120 H88 Cu4 N8 O80 Pr8 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0369","0.0261","","","0.0644","0.0856","","","","","","1.018","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506270","7.0982","0.0005","21.64","0.0015","6.5856","0.0005","90","","92.217","0.007","90","","1010.82","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Ca O7 -","- C8 H10 Ca O7 -","- C32 H40 Ca4 O28 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0548","0.0485","","","0.1304","0.1389","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506271","11.2023","0.0007","6.6774","0.0004","11.984","0.0008","90","","98.91","0.007","90","","885.61","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ca O5 -","- C8 H6 Ca O5 -","- C32 H24 Ca4 O20 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0367","0.0293","","","0.0646","0.0702","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506272","7.3226","0.0003","10.6546","0.0007","13.0172","0.001","90.89","0.006","90.587","0.005","103.798","0.005","986.07","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 Ba5 N2 O24 -","- C32 H20 Ba5 N2 O24 -","- C32 H20 Ba5 N2 O24 -","1","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0463","0.0393","","","0.0954","0.1095","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506273","13.2308","0.0005","10.2126","0.0006","17.594","0.0006","90","","90","","90","","2377.32","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 Ba3 O16 -","- C18 H14 Ba3 O16 -","- C72 H56 Ba12 O64 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0616","0.0558","","","0.152","0.1592","","","","","","1.042","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506274","25.5273","0.0015","15.5117","0.0014","17.1005","0.0013","90","","98.298","0.005","90","","6700.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SUMOF-6-Sm(as)","","","- C36 H18 N6 O15 Sm2 -","- C36 H18 N6 O15 Sm2 -","- C144 H72 N24 O60 Sm8 -","4","1","","Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong","A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations","Crystal Growth & Design","2012","12","6","3243","","10.1021/cg300379u","","","0.71073","MoKα","","0.1812","0.0726","","","0.1674","0.1857","","","","","","0.961","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506275","27.0951","0.0008","11.351","0.0008","17.0184","0.0006","90","","98.218","0.003","90","","5180.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SUMOF-6-Sm(dry)","","","- C36 H18 N6 O15 Sm2 -","- C36 H18 N6 O15 Sm2 -","- C144 H72 N24 O60 Sm8 -","4","1","","Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong","A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations","Crystal Growth & Design","2012","12","6","3243","","10.1021/cg300379u","","","0.71073","MoKα","","0.1513","0.0676","","","0.1466","0.162","","","","","","0.976","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506276","25.6487","0.0014","15.1875","0.0019","17.0378","0.0012","90","","97.91","0.006","90","","6573.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SUMOF-6-Gd(as)","","","- C36 H18 Gd2 N6 O15 -","- C36 H18 Gd2 N6 O15 -","- C144 H72 Gd8 N24 O60 -","4","1","","Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong","A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations","Crystal Growth & Design","2012","12","6","3243","","10.1021/cg300379u","","","0.71073","MoKα","","0.1561","0.0697","","","0.1487","0.1698","","","","","","0.972","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506277","27.0154","0.0019","11.5213","0.0018","16.995","0.003","90","","98.137","0.01","90","","5236.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SUMOF-6-Gd(dry)","","","- C36 H18 Gd2 N6 O15 -","- C36 H18 Gd2 N6 O15 -","- C144 H72 Gd8 N24 O60 -","4","1","","Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong","A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations","Crystal Growth & Design","2012","12","6","3243","","10.1021/cg300379u","","","0.71073","MoKα","","0.18","0.0846","","","0.19","0.219","","","","","","1.006","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506278","7.4786","0.0015","9.832","0.002","15.487","0.005","90","","108.31","0.03","90","","1081.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O10 Pr -","- C7 H8 O10 Pr -","- C28 H32 O40 Pr4 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0355","0.0274","","","0.0538","0.0562","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506279","7.4128","0.0015","9.771","0.002","15.395","0.005","90","","108.33","0.03","90","","1058.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Nd O10 -","- C7 H8 Nd O10 -","- C28 H32 Nd4 O40 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0378","0.0288","","","0.0566","0.0595","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506280","7.3519","0.0015","9.7295","0.0019","15.355","0.005","90","","108.54","0.03","90","","1041.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Eu O10 -","- C7 H8 Eu O10 -","- C28 H32 Eu4 O40 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0263","0.024","","","0.0589","0.0602","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506281","7.3173","0.0015","9.7022","0.0019","15.306","0.005","90","","108.61","0.03","90","","1029.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Gd O10 -","- C7 H8 Gd O10 -","- C28 H32 Gd4 O40 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0318","0.0257","","","0.049","0.0509","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506282","7.3108","0.0015","9.722","0.0019","15.298","0.005","90","","108.75","0.03","90","","1029.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O10 Tb -","- C7 H8 O10 Tb -","- C28 H32 O40 Tb4 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0219","0.02","","","0.0513","0.0523","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506283","16.84","0.003","10.608","0.002","13.713","0.003","90","","117.11","0.03","90","","2180.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O10 Sm -","- C7 H8 O10 Sm -","- C56 H64 O80 Sm8 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.042","0.0317","","","0.0541","0.057","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506284","16.775","0.003","10.569","0.002","13.697","0.003","90","","117.53","0.03","90","","2153.4","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O10 Tb -","- C7 H8 O10 Tb -","- C56 H64 O80 Tb8 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0338","0.026","","","0.0507","0.0531","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506285","16.727","0.003","10.537","0.002","13.656","0.003","90","","117.62","0.03","90","","2132.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Dy O10 -","- C7 H8 Dy O10 -","- C56 H64 Dy8 O80 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0317","0.0262","","","0.0594","0.0615","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506286","16.677","0.003","10.504","0.002","13.64","0.003","90","","117.78","0.03","90","","2114","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Ho O10 -","- C7 H8 Ho O10 -","- C56 H64 Ho8 O80 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0281","0.0251","","","0.0616","0.0631","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506287","16.619","0.003","10.46","0.002","13.657","0.003","90","","118.14","0.03","90","","2093.4","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O10 Yb -","- C7 H8 O10 Yb -","- C56 H64 O80 Yb8 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0289","0.0242","","","0.052","0.0537","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506288","7.1034","0.0009","16.639","0.002","7.4341","0.001","90","","104.069","0.002","90","","852.31","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Ba N2 O6 -","- C6 H5 Ba N2 O6 -","- C24 H20 Ba4 N8 O24 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0257","0.0227","","","0.056","0.0578","","","","","","1.041","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506289","8.0059","0.001","17.198","0.002","14.0101","0.0014","90","","123.152","0.005","90","","1615","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ba N4 O11 -","- C12 H12 Ba N4 O11 -","- C48 H48 Ba4 N16 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0563","0.0462","","","0.1295","0.1385","","","","","","1.068","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506290","7.0034","0.0005","16.9381","0.0013","7.0666","0.0005","90","","98.811","0.001","90","","828.38","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ba2 N4 O11 -","- C12 H8 Ba2 N4 O11 -","- C24 H16 Ba4 N8 O22 -","2","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0315","0.0292","","","0.1055","0.1101","","","","","","0.935","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506291","15.42","0.0002","10.722","0.0005","9.137","0.0002","90","","90","","90","","1510.65","0.08","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 Ba N4 O10 -","- C12 H10 Ba N4 O10 -","- C48 H40 Ba4 N16 O40 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0743","0.0547","","","0.1308","0.1465","","","","","","1.006","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506292","12.007","0.005","12.451","0.005","12.779","0.005","65.629","0.005","66.635","0.005","65.246","0.005","1521.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H49 N O5 Sn2 -","- C27 H49 N O5 Sn2 -","- C54 H98 N2 O10 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.055","0.0415","","","0.0962","0.1049","","","","","","1.049","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506293","9.6998","0.001","10.5225","0.0011","16.8608","0.0017","90","","100.762","0.002","90","","1690.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H57 N O4 Sn2 -","- C31 H57 N O4 Sn2 -","- C62 H114 N2 O8 Sn4 -","2","0.5","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71073","MoKα","","0.0757","0.0502","","","0.1436","0.2448","","","","","","1.197","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506294","9.795","0.005","18.067","0.005","39.224","0.005","90","0.005","90.154","0.005","90","0.005","6941","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H114 N2 O8 Sn4 -","- C62 H114 N2 O8 Sn4 -","- C248 H456 N8 O32 Sn16 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.0667","0.0473","","","0.0992","0.1087","","","","","","1.007","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506295","15.428","0.005","11.777","0.005","23.719","0.005","90","0.005","99.161","0.005","90","0.005","4255","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 N3 O4 Sn2 -","- C41 H65 N3 O4 Sn2 -","- C164 H260 N12 O16 Sn8 -","4","0.5","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.0382","0.0333","","","0.0829","0.0872","","","","","","1.063","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506296","15.427","0.005","11.769","0.005","23.734","0.005","90","0.005","99.322","0.005","90","0.005","4252","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 N3 O4 Sn2 -","- C41 H65 N3 O4 Sn2 -","- C164 H260 N12 O16 Sn8 -","4","0.5","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.0444","0.0353","","","0.0781","0.0832","","","","","","1.053","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506297","9.688","0.005","9.766","0.005","11.939","0.005","75.798","0.005","87.925","0.005","75.144","0.005","1058","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 N3 O4 Sn2 -","- C41 H65 N3 O4 Sn2 -","- C41 H65 N3 O4 Sn2 -","1","0.5","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.0429","0.0367","","","0.1039","0.1322","","","","","","1.192","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506298","11.4153","0.0008","18.4825","0.0018","7.7116","0.0006","90","","90","","90","","1627","0.2","95","2","95","2","","","","","","","","4","P n m a","-P 2ac 2n","62","HMX - 1,2-phenylenediamine","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 1,2-phenylenediamine","","- C10 H16 N10 O8 -","- C10 H16 N10 O8 -","- C40 H64 N40 O32 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.1204","0.0636","","","0.15","0.233","","","","","","1.13","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506299","11.4367","0.001","18.7309","0.0015","7.8305","0.0007","90","","90","","90","","1677.4","0.2","95","2","95","2","","","","","","","","4","P n m a","-P 2ac 2n","62","HMX - 3,4-diaminotoluene","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 3,4-diaminotoluene","","- C11 H18 N10 O8 -","- C11 H18 N10 O8 -","- C44 H72 N40 O32 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0969","0.0494","","","0.1235","0.1873","","","","","","1.164","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506300","7.7156","0.0005","11.2114","0.0006","18.5392","0.0012","90","","90","","90","","1603.69","0.17","95","2","95","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","HMX - 4-fluoroaniline","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 4-fluoroaniline","","- C10 H14 F N9 O8 -","- C10 H14 F N9 O8 -","- C40 H56 F4 N36 O32 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0248","0.0237","","","0.0584","0.0588","","","","","","1.077","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506301","11.1402","0.0005","19.1745","0.0014","7.6902","0.0003","90","","90","","90","","1642.69","0.15","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","HMX - thieno[3,2-b]thiophene","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - thieno[3,2-b]thiophene","","- C10 H12 N8 O8 S2 -","- C10 H12 N8 O8 S2 -","- C40 H48 N32 O32 S8 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0376","0.0356","","","0.0977","0.1012","","","","","","1.096","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506302","15.8469","0.0006","15.8469","0.0006","10.5371","0.0007","90","","90","","120","","2291.6","0.2","85","","85","","","","","","","","","4","P 63/m","-P 6c","176","HMX - 2-pyrrolidone","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 2-pyrrolidone","","- C8 H15 N9 O9 -","- C8 H15 N9 O9 -","- C48 H90 N54 O54 -","6","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","","0.0627","","","","0.1744","","","","","","1.007","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506303","13.8386","0.0009","6.4188","0.0005","20.7476","0.0016","90","","104.246","0.007","90","","1786.3","0.2","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HMX - 1,4-piperazinedicarboxaldehyde","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 1,4-piperazinedicarboxaldehyde","","- C10 H18 N10 O10 -","- C10 H18 N10 O10 -","- C40 H72 N40 O40 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.1536","0.0937","","","0.2484","0.3361","","","","","","1.199","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506304","6.0611","0.0016","7.818","0.002","12.154","0.003","71.604","0.013","80.885","0.014","86.334","0.014","539.5","0.2","95","2","95","2","","","","","","","","4","P -1","-P 1","2","HMX - 2-picoline-N-oxide","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 2-picoline-N-oxide","","- C16 H22 N10 O10 -","- C16 H22 N10 O10 -","- C16 H22 N10 O10 -","1","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.2651","0.1541","","","0.3597","0.449","","","","","","1.083","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506305","5.8035","0.0006","13.601","0.0013","13.8761","0.0014","109.513","0.001","99.189","0.001","98.403","0.001","995.44","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 Co O20 -","- C42 H34 Co O20 -","- C42 H34 Co O20 -","1","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0399","0.0365","","","0.1122","0.1157","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506306","7.429","0.002","12.191","0.004","16.531","0.005","71.659","0.006","89.296","0.006","78.19","0.006","1388.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Co N2 O9 -","- C31 H22 Co N2 O9 -","- C62 H44 Co2 N4 O18 -","2","1","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0641","0.0459","","","0.1156","0.1219","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506307","17.403","0.003","10.834","0.002","17.981","0.003","90","","116.758","0.004","90","","3027.2","0.9","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Co3 N2 O22 -","- C54 H42 Co3 N2 O22 -","- C108 H84 Co6 N4 O44 -","2","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0795","0.0708","","","0.1919","0.1963","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506308","17.283","0.003","10.835","0.002","18.443","0.002","90","","119.25","0.011","90","","3013.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H24 Co3 N4 O22 -","- C52 H40 Co3 N4 O22 -","- C104 H80 Co6 N8 O44 -","2","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0592","0.0476","","","0.1256","0.1295","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506309","17.487","0.0019","10.8823","0.0011","18.0449","0.0019","90","","116.17","0.002","90","","3081.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Co3 N2 O22 -","- C54 H38 Co3 N2 O22 -","- C108 H76 Co6 N4 O44 -","2","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.06","0.0488","","","0.1257","0.129","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506310","16.833","0.002","17.632","0.002","21.364","0.003","90","","110.832","0.002","90","","5926.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H44 Co2 N2 O19 -","- C55 H44 Co2 N2 O19 -","- C220 H176 Co8 N8 O76 -","4","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0672","0.0451","","","0.0956","0.1039","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506311","7.914","","10.467","","14.904","","70.07","","78.65","","71.63","","1095.96","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cu1.5 N O9 -","- C21 H26 Cu1.5 N O9 -","- C42 H52 Cu3 N2 O18 -","2","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71073","MoKα","","0.0298","0.0264","","","0.0719","0.0738","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506312","8.058","","10.774","","15.005","","71.74","","79.79","","70.47","","1162.08","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cu1.5 N O9 -","- C22 H28 Cu1.5 N O9 -","- C44 H56 Cu3 N2 O18 -","2","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71073","MoKα","","0.1216","0.0794","","","0.1907","0.2174","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506313","31.924","0.005","10.29","0.005","16.544","0.005","90","0.005","112.007","0.005","90","0.005","5039","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H26 Cu1.5 N O8.5 -","- C21.5 H26 Cu1.5 N O8.5 -","- C172 H208 Cu12 N8 O68 -","8","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71069","MoKα","","0.1002","0.0548","","","0.1613","0.1852","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506314","8.291","","13.461","","18.549","","90","","98.22","","90","","2048.9","","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu1.5 N O8 -","- C20 H22 Cu1.5 N O8 -","- C80 H88 Cu6 N4 O32 -","4","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71073","MoKα","","0.0523","0.0352","","","0.0866","0.0942","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506315","12.317","0.005","8.541","0.005","20.421","0.005","90","0.005","106.192","0.005","90","0.005","2063.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu1.5 N O9 -","- C20 H24 Cu1.5 N O9 -","- C80 H96 Cu6 N4 O36 -","4","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71069","MoKα","","0.1027","0.0599","","","0.1571","0.1823","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506316","7.849","0.005","14.739","0.005","18.495","0.005","90","0.005","101.446","0.005","90","0.005","2097.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cu1.5 N O8 -","- C20 H24 Cu1.5 N O8 -","- C80 H96 Cu6 N4 O32 -","4","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71069","MoKα","","0.0595","0.0397","","","0.1019","0.1107","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506317","14.253","","14.279","","26.903","","90","","97.9","","90","","5423.3","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cu2 N O7 -","- C19 H19 Cu2 N O7 -","- C152 H152 Cu16 N8 O56 -","8","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71073","MoKα","","0.09","0.0659","","","0.1828","0.2032","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506318","14.355","0.005","11.343","0.005","31.602","0.005","90","0.005","102.611","0.005","90","0.005","5022","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 Cu1.5 N O8.5 -","- C22 H29 Cu1.5 N O8.5 -","- C176 H232 Cu12 N8 O68 -","8","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71069","MoKα","","0.0696","0.0458","","","0.1155","0.1277","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506319","10.764","0.004","26.969","0.009","9.724","0.003","90","","90","","90","","2822.8","1.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Cu2 N6 O8 -","- C18 H22 Cu2 N6 O8 -","- C72 H88 Cu8 N24 O32 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal–Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0809","0.0622","","","0.1842","0.2047","","","","","","1.01","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4506320","11.821","0.005","26.001","0.011","9.892","0.004","90","","90","","90","","3040","2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H30 Cu2 N6 O6 -","- C22 H30 Cu2 N6 O6 -","- C88 H120 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0908","0.0634","","","0.1489","0.168","","","","","","1.067","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506321","11.6874","0.0005","26.5378","0.0014","9.7479","0.0004","90","","90","","90","","3023.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H30 Cu2 N6 O6 -","- C30 H30 Cu2 N6 O6 -","- C120 H120 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0732","0.0682","","","0.2058","0.2147","","","","","","0.98","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506322","12.7711","0.0014","14.229","0.002","16.003","0.002","106.64","0.002","103.935","0.003","106.606","0.003","2499.8","0.6","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C72 H102 Cu6 N18 O20 -","- C72 H47 Cu6 N18 O23.4 -","- C72 H47 Cu6 N18 O23.4 -","1","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.1154","0.0833","","","0.2292","0.2676","","","","","","0.98","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506323","10.7957","0.0006","26.9671","0.0017","9.6972","0.0004","90","","90","","90","","2823.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Cu2 N6 O8 -","- C18 H22 Cu2 N6 O8 -","- C72 H88 Cu8 N24 O32 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0475","0.0422","","","0.1334","0.1407","","","","","","1.044","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506324","8.0615","0.0016","25.852","0.005","13.293","0.003","90","","90","","90","","2770.3","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H26 Cd N2 O13 -","- C26 H26 Cd N2 O13 -","- C104 H104 Cd4 N8 O52 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0408","0.0334","","","0.0723","0.0756","","","","","","1.009","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506325","12.103","0.008","10.228","0.007","11.123","0.007","90","","114.342","0.005","90","","1254.5","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cd N O5 -","- C13 H9 Cd N O5 -","- C52 H36 Cd4 N4 O20 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0221","0.0185","","","0.0446","0.0472","","","","","","1.075","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506326","16.639","0.006","9.887","0.004","13.205","0.005","90","","106.768","0.003","90","","2080","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cd N3 O5 -","- C23 H17 Cd N3 O5 -","- C92 H68 Cd4 N12 O20 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0286","0.0229","","","0.055","0.0585","","","","","","0.998","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506327","16.603","0.012","9.712","0.007","12.777","0.009","90","","105.503","0.006","90","","1985","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Co N3 O5 -","- C23 H17 Co N3 O5 -","- C92 H68 Co4 N12 O20 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0602","0.0437","","","0.1042","0.1134","","","","","","1.026","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506328","16.567","0.004","9.838","0.002","13.03","0.003","90","","105.955","0.002","90","","2041.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Mn N3 O5 -","- C23 H17 Mn N3 O5 -","- C92 H68 Mn4 N12 O20 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.091","0.0542","","","0.1178","0.1363","","","","","","1.038","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506329","9.4178","0.0006","10.2005","0.0007","12.0937","0.0009","76.185","0.006","89.248","0.006","67.319","0.006","1036.89","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Co N3 O5 -","- C25 H17 Co N3 O5 -","- C50 H34 Co2 N6 O10 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.05","0.0357","","","0.0702","0.0757","","","","","","1.026","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506330","9.397","0.004","10.234","0.004","12.236","0.005","76.491","0.004","89.12","0.004","67.549","0.004","1053.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Mn N3 O5 -","- C25 H17 Mn N3 O5 -","- C50 H34 Mn2 N6 O10 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.1198","0.0665","","","0.1234","0.1477","","","","","","1.032","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506331","8.08","0.011","25.88","0.03","13.345","0.018","90","","90","","90","","2791","6","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H25 N2 Nd O13 -","- C26 H25 N2 Nd O13 -","- C104 H100 N8 Nd4 O52 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0829","0.0693","","","0.1811","0.1936","","","","","","1.198","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506332","9.173","0.005","13.657","0.007","14.292","0.007","97.179","0.004","96.766","0.005","104.724","0.004","1697.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 N4 O10 Pr -","- C38 H27 N4 O10 Pr -","- C76 H54 N8 O20 Pr2 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0543","0.0426","","","0.0774","0.0812","","","","","","1.022","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506333","9.073","0.016","13.54","0.02","14.06","0.02","97.219","0.016","96.43","0.018","104.87","0.02","1637","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 N4 Nd O10 -","- C38 H27 N4 Nd O10 -","- C76 H54 N8 Nd2 O20 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0796","0.0497","","","0.0735","0.0795","","","","","","0.991","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506334","9.172","0.01","13.688","0.015","14.179","0.015","97.073","0.011","96.666","0.01","105.301","0.01","1683","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Eu N4 O10 -","- C38 H26.74 Eu N4 O10 -","- C76 H53.48 Eu2 N8 O20 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0776","0.0478","","","0.0785","0.0873","","","","","","1.037","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506335","9.141","0.003","13.712","0.004","14.123","0.005","97.311","0.003","96.607","0.003","105.351","0.003","1672.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Gd N4 O10 -","- C38 H27 Gd N4 O10 -","- C76 H54 Gd2 N8 O20 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0445","0.0355","","","0.0882","0.0942","","","","","","1.03","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506336","15.403","0.001","15.403","0.001","22.617","0.003","90","","90","","90","","5365.9","0.9","293","2","293","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu-glutarato-K2-O,O')(mu3-adeninato-k3-N3:N7:N9)copper(II)]dihydrate","","- C20 H28 Cu2 N10 O10 -","- C20 H26 Cu2 N10 O10 -","- C160 H208 Cu16 N80 O80 -","8","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.1379","0.0552","","","0.1077","0.1227","","","","","","1.131","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506337","14.688","0.001","14.688","0.001","24.331","0.003","90","","90","","90","","5249.1","0.8","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu-adipato-K2-O,O')(mu3-adeninato-k3-N3:N7:N9)copper(II)]","","- C22 H26 Cu2 N10 O8 -","- C22 H26 Cu2 N10 O8 -","- C176 H208 Cu16 N80 O64 -","8","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.1497","0.0606","","","0.0881","0.1092","","","","","","1.082","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506338","15.6854","0.0005","15.6854","0.0005","23.2536","0.0009","90","","90","","90","","5721.1","0.3","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu-pimelato-K2-O,O')(mu3-adeninato-k3-N3:N7:N9)copper(II)]","","- C24 H30 Cu2 N10 O8 -","- C24 H30 Cu2 N10 O8 -","- C192 H240 Cu16 N80 O64 -","8","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.0866","0.0601","","","0.1289","0.1391","","","","","","1.072","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506339","7.758","0.002","8.341","0.002","11.773","0.002","100.98","0.02","97.44","0.02","94.19","0.02","737.8","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-[(mu4-glutarato-K4-O,O',O'',O''')(3-methyladenine-KN7)copper(II)]dihydrate","","- C11 H17 Cu N5 O6 -","- C11 H13 Cu N5 O6 -","- C22 H26 Cu2 N10 O12 -","2","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.0789","0.0504","","","0.1081","0.1173","","","","","","1.083","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506340","7.8705","0.0008","8.5184","0.0007","11.2615","0.0007","69.155","0.007","77.225","0.009","65.995","0.009","641.99","0.11","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-[(mu4-glutarato-K4-O,O',O'',O''')(9-methyladenine-kN7)copper(II)]","","- C11 H13 Cu N5 O4 -","- C11 H13 Cu N5 O4 -","- C22 H26 Cu2 N10 O8 -","2","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.0433","0.035","","","0.087","0.0886","","","","","","1.021","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506341","9.2597","0.0006","9.4665","0.0006","14.671","0.0009","80.899","0.005","75.478","0.005","67.339","0.005","1146.09","0.13","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-[(mu4-pimelatoK4-O,O',O'',O''')(9-methyladenine-kN7)copper(II)]pimelic acid","","- C20 H29 Cu N5 O8 -","- C20 H29 Cu N5 O8 -","- C40 H58 Cu2 N10 O16 -","2","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.0425","0.0272","","","0.0519","0.0539","","","","","","1.103","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506342","8.649","0.005","16.573","0.01","18.729","0.012","90","","96.097","0.007","90","","2669","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Co N4 O6 -","- C26 H30 Co N4 O6 -","- C104 H120 Co4 N16 O24 -","4","1","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.1984","0.071","","","0.1462","0.1856","","","","","","1.021","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506343","19.7573","0.0012","19.757","","10.2813","0.0006","90","","90","","90","","4013.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H36 Co2 N4 O9 -","- C40 H36 Co2 N4 O9 -","- C160 H144 Co8 N16 O36 -","4","1","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.0582","0.0549","","","0.1487","0.1521","","","","","","1.062","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506344","8.3347","0.0009","10.1455","0.0011","12.5359","0.0013","75.764","0.001","89.766","0.001","70.32","0.001","963.86","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Co N O6 -","- C21 H19 Co N O6 -","- C42 H38 Co2 N2 O12 -","2","1","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.0325","0.0296","","","0.0722","0.0741","","","","","","1.047","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506345","10.4565","0.0012","19.215","0.002","16.9416","0.0018","90","","93.611","0.001","90","","3397.2","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Co N2 O8 -","- C40 H30 Co N2 O8 -","- C160 H120 Co4 N8 O32 -","4","0.5","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.04","0.0304","","","0.0782","0.0839","","","","","","1.04","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506346","6.4022","0.0002","21.3894","0.0007","14.1932","0.0005","90","","93.172","0.003","90","","1940.63","0.11","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O18 S Sm2 -","- C10 H16 N4 O18 S Sm2 -","- C40 H64 N16 O72 S4 Sm8 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0424","0.0288","","","0.0446","0.048","","","","","","0.998","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506347","6.4592","0.0001","21.448","0.0005","14.2117","0.0003","90","","93.261","0.002","90","","1965.66","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Eu2 N4 O18 S -","- C10 H16 Eu2 N4 O18 S -","- C40 H64 Eu8 N16 O72 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0407","0.028","","","0.0427","0.0464","","","","","","1.029","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506348","6.4504","0.0003","21.3003","0.0008","14.1455","0.0005","90","","93.347","0.004","90","","1940.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O18 S Tb2 -","- C10 H16 N4 O18 S Tb2 -","- C40 H64 N16 O72 S4 Tb8 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0609","0.0444","","","0.0852","0.0965","","","","","","1.039","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506349","6.4417","0.0002","21.2712","0.0005","14.1377","0.0004","90","","93.272","0.002","90","","1934.03","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Dy2 N4 O18 S -","- C10 H16 Dy2 N4 O18 S -","- C40 H64 Dy8 N16 O72 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0489","0.0353","","","0.071","0.0803","","","","","","1.035","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506350","6.4406","0.0002","21.1952","0.0009","14.1015","0.0005","90","","93.35","0.003","90","","1921.7","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ho2 N4 O18 S -","- C10 H16 Ho2 N4 O18 S -","- C40 H64 Ho8 N16 O72 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0499","0.0345","","","0.0603","0.0683","","","","","","1.058","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506351","6.4435","0.0001","21.1512","0.0005","14.095","0.0003","90","","93.268","0.002","90","","1917.85","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Er2 N4 O18 S -","- C10 H16 Er2 N4 O18 S -","- C40 H64 Er8 N16 O72 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0491","0.0333","","","0.0596","0.0674","","","","","","1.04","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506352","6.555","0.0002","13.3453","0.0004","12.6525","0.0004","90","","101.999","0.003","90","","1082.64","0.06","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N3 O8 S Sm -","- C7 H8 N3 O8 S Sm -","- C28 H32 N12 O32 S4 Sm4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0414","0.0285","","","0.0497","0.0538","","","","","","1.024","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506353","6.5432","0.0003","13.3204","0.0005","12.6867","0.0005","90","","101.694","0.004","90","","1082.8","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Eu N3 O8 S -","- C7 H8 Eu N3 O8 S -","- C28 H32 Eu4 N12 O32 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0342","0.0253","","","0.0476","0.0509","","","","","","1.021","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506354","21.3716","0.0008","6.6466","0.0003","13.0805","0.0006","90","","106.971","0.004","90","","1777.15","0.14","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N4 O14 S Tb2 -","- C10 H8 N4 O14 S Tb2 -","- C40 H32 N16 O56 S4 Tb8 -","4","0.5","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0493","0.0334","","","0.0565","0.0634","","","","","","1.047","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506355","21.307","0.0009","6.6298","0.0002","13.0431","0.0006","90","","106.857","0.005","90","","1763.31","0.13","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Dy2 N4 O14 S -","- C10 H8 Dy2 N4 O14 S -","- C40 H32 Dy8 N16 O56 S4 -","4","0.5","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0476","0.0336","","","0.0675","0.0733","","","","","","1.027","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506356","21.143","0.005","6.5928","0.0014","12.948","0.003","90","","106.242","0.003","90","","1732.8","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Er2 N4 O14 S -","- C10 H8 Er2 N4 O14 S -","- C40 H32 Er8 N16 O56 S4 -","4","0.5","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0383","0.0326","","","0.0827","0.0863","","","","","","1.09","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506357","21.0206","0.001","6.5588","0.0004","12.8661","0.0006","90","","106.016","0.005","90","","1705","0.16","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N4 O14 S Yb2 -","- C10 H8 N4 O14 S Yb2 -","- C40 H32 N16 O56 S4 Yb8 -","4","0.5","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0256","0.0198","","","0.0424","0.0431","","","","","","1.022","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506358","29.243","0.003","22.585","0.002","35.586","0.003","90","","97.759","0.002","90","","23288","4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C217 H190 N46 Ni12 O25 S12 -","- C198.5 H128 N42 Ni12 O23 S12 -","- C794 H512 N168 Ni48 O92 S48 -","4","0.5","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.0586","0.053","","","0.163","0.1696","","","","","","1.053","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506359","28.959","0.004","23.024","0.003","35.283","0.005","90","","98.648","0.002","90","","23258","6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C198 H171 Co12 N31 O29 S12 -","- C193 H128 Co12 N29 O28 S12 -","- C772 H512 Co48 N116 O112 S48 -","4","0.5","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.0717","0.0605","","","0.1777","0.1879","","","","","","1.057","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506360","41.923","0.01","40.358","0.009","16.146","0.004","90","","90","","90","","27318","11","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C160 H209 Co12 N35 O24 S12 -","- C154 H32 Co12 N33 O22 S12 -","- C616 H128 Co48 N132 O88 S48 -","4","0.5","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.1195","0.0949","","","0.2817","0.3082","","","","","","1.074","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506361","23.369","0.003","40.035","0.004","21.28","0.002","90","","109.65","0.002","90","","18750","4","120","2","120","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C240 H340 Cl4 Co16 N76 O30 S16 -","- C217.16 H235.12 Cl4 Co16 N67.08 O25 S16 -","- C434.32 H470.24 Cl8 Co32 N134.16 O50 S32 -","2","0.25","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.06","0.0544","","","0.1629","0.1689","","","","","","1.05","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506362","10.837","0.002","7.6503","0.0015","7.2566","0.0015","90","","95.41","0.03","90","","598.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O6 S2 -","- C10 H12 N2 O6 S2 -","- C20 H24 N4 O12 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0418","0.0387","","","0.1041","0.1112","","","","","","1.069","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506363","11.187","0.002","8.231","0.0016","8.5011","0.0017","90","","100.26","0.03","90","","770.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O6 S2 -","- C12 H16 N2 O6 S2 -","- C24 H32 N4 O12 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0714","0.0508","","","0.1251","0.1528","","","","","","1.08","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506364","25.475","0.005","7.4957","0.0015","7.9814","0.0016","90","","91.11","0.03","90","","1523.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 O6 S2 -","- C13 H18 N2 O6 S2 -","- C52 H72 N8 O24 S8 -","4","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.1032","0.0632","","","0.1297","0.1425","","","","","","1.043","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506365","17.786","0.004","10.674","0.002","9.3039","0.0019","90","","116.72","0.03","90","","1577.7","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 O6 S2 -","- C14 H20 N2 O6 S2 -","- C56 H80 N8 O24 S8 -","4","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0479","0.0434","","","0.1118","0.1161","","","","","","1.03","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506366","8.7396","0.0017","9.92","0.002","13.624","0.003","69.27","0.03","72.65","0.03","77.08","0.03","1045.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O8 S2 -","- C18 H24 N2 O8 S2 -","- C36 H48 N4 O16 S4 -","2","1","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0645","0.0559","","","0.1588","0.1766","","","","","","1.09","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506367","39.141","0.008","7.2708","0.0015","7.8823","0.0016","90","","92.9","0.03","90","","2240.3","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N4 O6 S2 -","- C22 H24 N4 O6 S2 -","- C88 H96 N16 O24 S8 -","4","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0428","0.0403","","","0.1037","0.1058","","","","","","1.084","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506368","9.1443","0.0018","8.0163","0.0016","12.632","0.003","90","","109.4","0.03","90","","873.4","0.4","295","2","295","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H16 N2 O6 S2 -","- C16 H16 N2 O6 S2 -","- C32 H32 N4 O12 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0535","0.043","","","0.1083","0.1251","","","","","","1.093","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506369","13.383","0.003","12.706","0.003","13.944","0.003","90","","118.35","0.03","90","","2086.7","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O9 S2 -","- C17 H24 N2 O9 S2 -","- C68 H96 N8 O36 S8 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0791","0.0569","","","0.1721","0.193","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506370","5.7543","0.0012","14.022","0.003","14.952","0.003","83.94","0.03","81.13","0.03","84.37","0.03","1181.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O9 S3 -","- C22 H22 N2 O9 S3 -","- C44 H44 N4 O18 S6 -","2","1","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.088","0.0657","","","0.1828","0.2232","","","","","","1.031","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506371","28.3","0.006","7.0286","0.0014","22.237","0.004","90","","126.43","0.03","90","","3558.8","1.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 N4 O11 S4 -","- C34 H34 N4 O11 S4 -","- C136 H136 N16 O44 S16 -","4","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0717","0.0468","","","0.1224","0.1678","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506372","10.87255","0.00018","10.87255","0.00018","6.94718","0.00011","90","","90","","120","","711.22","0.02","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","Barium Strontium Fluoride Borate","","","- B3.65 Ba3.12 F3.05 O10.95 Sr3.88 -","- B3.648 Ba3.118 F3.072 O10.94 Sr3.882 -","- B7.296 Ba6.236 F6.144 O21.88 Sr7.764 -","2","0.166667","","Rashchenko, S. V.; Bekker, T. B.; Bakakin, V. V.; Seryotkin, Yu. V.; Shevchenko, V. S.; Kokh, A. E.; Stonoga, S. Yu.","New Fluoride Borate Solid‒Solution Series Ba4‒xSr3+x(BO3)4‒yF2+3y","Crystal Growth & Design","2012","12","6","2955","","10.1021/cg3004933","","x-ray","0.71073","MoKα","","0.0376","0.0346","","","0.0828","0.0844","","","","","","1.101","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506373","17.111","0.014","9.427","0.005","17.606","0.012","90","","113.37","0.04","90","","2607","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Cl2 N4 O12 Zn -","- C16 H30 Cl2 N4 O12 Zn -","- C64 H120 Cl8 N16 O48 Zn4 -","4","0.5","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Branchadell, Vicenç","Anion Influence on the Structure ofN,O-Hybrid Pyrazole ZnII, CdII, and HgIIComplexes. Synthesis, Characterization, and Theoretical Studies","Crystal Growth & Design","2012","12","7","3700","","10.1021/cg300506c","","","0.71073","MoKα","","0.1529","0.0659","","","0.1221","0.1468","","","","","","1.094","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506374","10.267","0.003","14.302","0.003","17.097","0.004","90","","95.02","0.02","90","","2500.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cd Cl2 N4 O11 -","- C16 H28 Cd Cl2 N4 O11 -","- C64 H112 Cd4 Cl8 N16 O44 -","4","1","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Branchadell, Vicenç","Anion Influence on the Structure ofN,O-Hybrid Pyrazole ZnII, CdII, and HgIIComplexes. Synthesis, Characterization, and Theoretical Studies","Crystal Growth & Design","2012","12","7","3700","","10.1021/cg300506c","","","0.71073","MoKα","","0.0595","0.0538","","","0.1417","0.1494","","","","","","1.202","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506375","22.5959","0.001","19.8166","0.0005","19.817","","90","","90","","90","","8873.5","0.5","173","2","173","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C21 H16 Cu3 O15 -","- C21 H9 Cu3 O15 -","- C168 H72 Cu24 O120 -","8","0.5","","Cai, Yang; Zhang, Yadong; Huang, Yougui; Marder, Seth R.; Walton, Krista S.","Impact of Alkyl-Functionalized BTC on Properties of Copper-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","7","3709","","10.1021/cg300518k","","","1.54178","CuKα","","0.1517","0.137","","","0.3853","0.3971","","","","","","1.603","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506376","20.1311","0.0016","20.1311","0.0016","20.5559","0.0016","90","","90","","90","","8330.5","1.1","173","2","173","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C22 H Cu3 O20.5 -","- C22 H8 Cu3 O20.5 -","- C176 H64 Cu24 O164 -","8","0.5","","Cai, Yang; Zhang, Yadong; Huang, Yougui; Marder, Seth R.; Walton, Krista S.","Impact of Alkyl-Functionalized BTC on Properties of Copper-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","7","3709","","10.1021/cg300518k","","","1.54178","CuKα","","0.2764","0.2727","","","0.7227","0.7297","","","","","","1.238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506377","35.625","0.007","28.58","0.006","10.403","0.002","90","","98.3","0.03","90","","10481","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C1.46 H7.32 Ge13.54 N1.46 O40 Si4.46 -","- C1.464 H7.32 Ge13.5395 N1.464 O40 Si4.4614 -","- C11.712 H58.56 Ge108.316 N11.712 O320 Si35.6912 -","8","1","","Tang, Liqiu; Ren, Xiaoyan; Inge, A. Ken; Willhammar, Tom; Grüner, Daniel; Yu, Jihong; Zou, Xiaodong","A Stacking Faults-Containing Silicogermanate with 24-Ring Channels and UnbranchedZweierSilica Double Chains","Crystal Growth & Design","2012","12","7","3714","","10.1021/cg300519t","","","0.71073","MoKα","","0.1255","0.0885","","","0.2511","0.2785","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506378","12.0489","0.0005","7.2772","0.0003","10.0552","0.0003","90","","90","","90","","881.66","0.06","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","flouro-1,2-phenylenediboronic acid","","- C6 H9 B2 F O5 -","- C6 H9 B2 F O5 -","- C24 H36 B8 F4 O20 -","4","0.25","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","x-ray","0.71073","MoKα","","0.0452","0.0402","","","0.1177","0.1213","","","","","","1.136","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506379","12.207","0.002","7.329","0.0014","10.0807","0.0019","90","","90","","90","","901.9","0.3","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","2,6-difluoro-1,4-benzenediboronic acid","","- C6 H8 B2 F2 O5 -","- C6 H7.996 B2 F2.004 O5 -","- C24 H31.984 B8 F8.016 O20 -","4","0.25","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","","0.71073","MoKα","","0.037","0.0302","","","0.089","0.0913","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506380","4.9838","0.0019","5.2569","0.0019","7.423","0.003","74.671","0.011","84.636","0.01","89","0.01","186.73","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,5-difluoro-1,4-phenylenediboronic acid","","- C6 H6 B2 F2 O4 -","- C6 H6 B2 F2 O4 -","- C6 H6 B2 F2 O4 -","1","0.5","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","x-ray","0.71073","MoKα","","0.094","0.0645","","","0.1719","0.1988","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506381","8.4258","0.0012","5.0244","0.0006","10.1656","0.0014","90","","106.254","0.007","90","","413.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraflouro-1,2-phenylenediboronic acid","","- C6 H4 B2 F4 O4 -","- C6 H4 B2 F4 O4 -","- C12 H8 B4 F8 O8 -","2","0.5","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","x-ray","0.71073","MoKα","","0.0758","0.0554","","","0.1608","0.1725","","","","","","1.109","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506382","9.5511","0.0004","28.2123","0.0015","7.6516","0.0003","90","","109.571","0.004","90","","1942.67","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-difluoro-1,4-phenylenediboronic acid","","- C6 H10 B2 F2 O6 -","- C6 H10 B2 F2 O6 -","- C48 H80 B16 F16 O48 -","8","2","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","","0.71073","MoKα","","0.0531","0.0352","","","0.1067","0.1115","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506383","9.64","0.0002","10.4477","0.0002","10.4032","0.0003","90","","107.908","0.003","90","","997","0.04","110","2","110","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","gallic acid monohydrate acetamide","","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C36 H44 N4 O24 -","4","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0325","0.0297","","","0.0783","0.0807","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506384","7.186","0.0003","7.9309","0.0004","14.6006","0.0008","82.635","0.004","82.395","0.004","87.086","0.004","817.5","0.07","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","gallic acid monohydrate acetamide","","","- C13 H21 N3 O8 -","- C13 H21 N3 O8 -","- C26 H42 N6 O16 -","2","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0451","0.0387","","","0.1031","0.1085","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506385","4.263","0.0002","22.5002","0.001","10.0489","0.0003","90","","92.868","0.003","90","","962.67","0.07","110","2","110","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","gallic acid monohydrate acetamide","","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C36 H44 N4 O24 -","4","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0453","0.0364","","","0.0915","0.0991","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506386","5.1914","0.0002","18.9993","0.0006","10.0732","0.0003","90","","100.331","0.003","90","","977.44","0.06","110","2","110","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","gallic acid monohydrate acetamide","","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C36 H44 N4 O24 -","4","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0421","0.0354","","","0.0917","0.097","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506387","28.342","0.006","4.9027","0.0004","20.113","0.004","90","","134.53","0.04","90","","1992.3","1.5","120","2","120","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","gallic acid monohydrate acetamide","","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C72 H88 N8 O48 -","8","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0412","0.0338","","","0.0844","0.09","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506388","7.694","0.003","12.172","0.005","12.337","0.005","80.08","0.03","75.94","0.03","86.75","0.03","1103.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cd N2 O5 -","- C24 H15 Cd N2 O5 -","- C48 H30 Cd2 N4 O10 -","2","1","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.0844","0.05","","","0.1132","0.1356","","","","","","0.979","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506389","16.701","0.0003","12.0214","0.0002","26.99","0.0006","90","","96.448","0.002","90","","5384.49","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Cd N4 O9 -","- C29 H20 Cd N4 O9 -","- C232 H160 Cd8 N32 O72 -","8","1","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.0709","0.0433","","","0.0923","0.1055","","","","","","1.014","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506390","9.6879","0.001","13.4937","0.0015","14.8574","0.0016","80.996","0.008","72.805","0.007","83.954","0.007","1829","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H52 Cd3 N12 O16 S2 -","- C76 H52 Cd3 N12 O16 S2 -","- C76 H52 Cd3 N12 O16 S2 -","1","0.5","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.0974","0.0503","","","0.0971","0.117","","","","","","0.983","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506391","9.388","0.003","13.353","0.005","14.644","0.005","80.535","0.008","72.638","0.006","84.24","0.007","1725.7","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H52 Co3 N12 O16 S2 -","- C76 H52 Co3 N12 O16 S2 -","- C76 H52 Co3 N12 O16 S2 -","1","0.5","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.0909","0.0675","","","0.1821","0.1996","","","","","","1.015","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506392","9.393","0.002","13.33","0.003","14.569","0.004","80.389","0.019","73.261","0.017","83.787","0.018","1718.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H52 N12 Ni3 O16 S2 -","- C76 H52 N12 Ni3 O16 S2 -","- C76 H52 N12 Ni3 O16 S2 -","1","0.5","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.1687","0.0709","","","0.1492","0.1917","","","","","","0.964","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506393","17.216","0.0006","28.9876","0.0012","30.7307","0.0011","90","","90","","90","","15336.2","1","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C64 H44 N8 O12 Zn2 -","- C64 H44 N8 O12 Zn2 -","- C512 H352 N64 O96 Zn16 -","8","0.25","","Luo, Feng; Yuan, Zi-Zun; Feng, Xue-Feng; Batten, Stuart R.; Li, Jian-Qiang; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan; Sun, Gong-Ming; Song, Yu-Mei; Huang, Hai-Xiao; Tian, Xian-Zhao","Multifunctional 3-Fold Interpenetrated Porous Metal‒Organic Frameworks Composed of Unprecedented Self-Catenated Networks","Crystal Growth & Design","2012","12","7","3392","","10.1021/cg300585t","","","0.71073","MoKα","","0.0836","0.0534","","","0.1336","0.1445","","","","","","0.946","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506394","7.7162","0.0003","7.9195","0.0003","12.2788","0.0005","86.575","0.003","86.801","0.002","71.148","0.002","708.29","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-2-chlorobenzoic acid","","- C13 H14 Cl N3 O4 -","- C13 H14 Cl N3 O4 -","- C26 H28 Cl2 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.085","0.0465","","","0.1167","0.1373","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506395","7.5478","0.0002","7.8842","0.0002","13.4987","0.0003","88.995","0.002","75.052","0.002","73.045","0.002","740.92","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-2-methylbenzoic acid","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.1592","0.0593","","","0.1457","0.1883","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506396","4.9969","0.0001","11.1131","0.0002","14.0377","0.0003","93.866","0.002","92.245","0.002","97.287","0.002","770.58","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-cinnamic acid","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0928","0.0459","","","0.1178","0.1521","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506397","4.762","0.0001","10.949","0.0002","28.4995","0.0006","90","","90.455","0.002","90","","1485.89","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine-4-nitrobenzoic acid","","- C13 H14 N4 O6 -","- C13 H14 N4 O6 -","- C52 H56 N16 O24 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0634","0.0402","","","0.0971","0.1101","","","","","","1.039","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506398","7.0295","0.0001","26.2951","0.0004","8.5371","0.0001","90","","106.815","0.001","90","","1510.54","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine-4-methoxybenzoic acid","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0537","0.0388","","","0.1054","0.1172","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506399","9.4556","0.0002","11.1124","0.0003","11.8799","0.0003","83.595","0.002","74.532","0.001","66.94","0.002","1106.89","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-Isophthalic acid","","- C20 H24 N6 O8 -","- C20 H24 N6 O8 -","- C40 H48 N12 O16 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0615","0.0415","","","0.1089","0.1216","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506400","12.6481","0.0002","4.0374","0.0001","21.2104","0.0004","90","","91.739","0.001","90","","1082.62","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine-chloroacetic acid","","- C8 H12 Cl N3 O4 -","- C8 H12 Cl N3 O4 -","- C32 H48 Cl4 N12 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0833","0.0425","","","0.0938","0.1121","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506401","12.2675","0.0002","15.2303","0.0002","7.1217","0.0001","90","","97.728","0.001","90","","1318.52","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine-trichloroacetic acid","","- C8 H10 Cl3 N3 O4 -","- C8 H10 Cl3 N3 O4 -","- C32 H40 Cl12 N12 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0516","0.0352","","","0.0814","0.0894","","","","","","1.043","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506402","14.4255","0.0002","11.6661","0.0002","17.4006","0.0002","90","","90","","90","","2928.34","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-4,6-dimethoxypyrimidine-5-chlorosalicylic acid","","- C13 H14 Cl N3 O5 -","- C13 H14 Cl N3 O5 -","- C104 H112 Cl8 N24 O40 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0866","0.0484","","","0.1213","0.139","","","","","","1.028","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506403","8.547","0.0001","8.9798","0.0001","19.271","0.0003","85.158","0.001","88.631","0.001","65.531","0.001","1341.31","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-3-hydroxypicolinic acid","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","2","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0732","0.0446","","","0.123","0.1451","","","","","","1.022","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506404","16.0278","0.0004","24.0006","0.0006","7.3516","0.0002","90","","92.297","0.002","90","","2825.72","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethylpyrimidine-5-chlorosalicylic acid","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C104 H112 Cl8 N24 O24 -","8","2","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.077","0.0399","","","0.0919","0.1109","","","","","","1.03","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506405","4.1106","0.0002","9.8487","0.0005","13.7524","0.0007","85.906","0.004","85.005","0.003","80.131","0.003","545.53","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethylpyrimidine-malonic acid","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C18 H26 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.1002","0.0682","","","0.19","0.2196","","","","","","1","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506406","29.6875","0.0011","4.6937","0.0002","14.2292","0.0006","90","","90","","90","","1982.76","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-amino-4,6-dimethylpyrimidine-glutaric acid","","- C17 H26 N6 O4 -","- C17 H26 N6 O4 -","- C68 H104 N24 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0425","0.0376","","","0.1116","0.116","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506407","8.2625","0.0003","17.4876","0.0005","14.3439","0.0005","90","","93.532","0.002","90","","2068.63","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethylpyrimidine-adipic acid","","- C18 H28 N6 O4 -","- C18 H28 N6 O4 -","- C72 H112 N24 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0802","0.0495","","","0.1272","0.1497","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506408","13.0735","0.0003","13.0828","0.0003","15.6584","0.0003","82.741","0.001","68.059","0.001","84.188","0.001","2460.03","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H41 N3 O12 Zn2 -","- C47 H35 N3 O12 Zn2 -","- C94 H70 N6 O24 Zn4 -","2","1","","Park, In-Hyeok; Kim, Kihwan; Lee, Shim Sung; Vittal, Jagadese J.","An Unusual Interweaving in a 3-Fold Interpenetrated Pillared-Layer Zn(II) Coordination Polymer with a Long Spacer Ligand","Crystal Growth & Design","2012","12","7","3397","","10.1021/cg300598y","","","0.71073","MoKα","","0.0881","0.0679","","","0.1908","0.2006","","","","","","1.106","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506409","11.2055","0.0002","14.5219","0.0003","20.0027","0.0004","90","","101.338","0.001","90","","3191.42","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H62 N2 O16 S Zn3 -","- C64 H40 N2 O16 S Zn3 -","- C128 H80 N4 O32 S2 Zn6 -","2","0.5","","Park, In-Hyeok; Kim, Kihwan; Lee, Shim Sung; Vittal, Jagadese J.","An Unusual Interweaving in a 3-Fold Interpenetrated Pillared-Layer Zn(II) Coordination Polymer with a Long Spacer Ligand","Crystal Growth & Design","2012","12","7","3397","","10.1021/cg300598y","","","0.71073","MoKα","","0.0498","0.0417","","","0.1202","0.1251","","","","","","1.048","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506410","20.994","0.007","32.153","0.011","6.953","0.002","90","","90","","90","","4693","3","100","2","100","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C132 H104 -","- C132 H104 -","- C264 H208 -","2","0.5","","Stopin, Antoine; Garcia-Garibay, Miguel A.","Crystals and Aggregates of a Molecular Tetrarotor with Multiple Trityl Embraces Derived from Tetraphenyladamantane","Crystal Growth & Design","2012","12","7","3792","","10.1021/cg300632q","","","0.71073","MoKα","","0.1249","0.0621","","","0.1191","0.1415","","","","","","0.919","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506411","24.656","0.006","7.0007","0.0016","12.561","0.003","90","","101.288","0.006","90","","2126.2","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 N2 O6.5 -","- C20 H26 N2 O6.5 -","- C80 H104 N8 O26 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.0927","0.0563","","","0.1209","0.1378","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506412","5.7838","0.0007","8.6133","0.0011","36.312","0.005","90","","90","","90","","1809","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.0309","0.029","","","0.0768","0.0784","","","","","","1.075","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506413","4.7658","0.0003","5.8982","0.0003","61.176","0.003","90","","90","","90","","1719.64","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.0732","0.0653","","","0.1677","0.1722","","","","","","1.12","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506414","25.003","0.002","6.839","0.0006","12.071","0.0012","90","","94.207","0.003","90","","2058.5","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 N2 O6.5 -","- C20 H27 N2 O6.5 -","- C80 H108 N8 O26 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.062","0.0421","","","0.0907","0.0996","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506415","4.968","0.0006","9.6339","0.0014","35.173","0.005","90","","90","","90","","1683.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.0676","0.0436","","","0.0896","0.0987","","","","","","1.018","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506416","9.0219","0.0002","5.1183","0.0001","34.1133","0.0007","90","","90","","90","","1575.24","0.06","100","2","100","2","","","","","","","synthesized","5","P n a 21","P 2c -2n","33","","","","- C15 H13 I O3 S2 -","- C15 H13 I O3 S2 -","- C60 H52 I4 O12 S8 -","4","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0252","0.0246","","","0.0524","0.0525","","","","","","1.096","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506417","21.3874","0.0007","5.5765","0.0003","26.7076","0.0011","90","","100.485","0.004","90","","3132.1","0.2","296","2","296","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F5 O3 S2 -","- C15 H9 F5 O3 S2 -","- C120 H72 F40 O24 S16 -","8","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.054","0.0428","","","0.1155","0.1238","","","","","","1.032","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506418","16.9301","0.0008","5.6351","0.0003","18.5698","0.0008","90","","111.768","0.002","90","","1645.28","0.14","100","2","100","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F4 I O3 S2 -","- C15 H9 F4 I O3 S2 -","- C60 H36 F16 I4 O12 S8 -","4","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0273","0.0266","","","0.0645","0.0648","","","","","","1.14","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506419","16.7476","0.0006","5.3576","0.0002","9.8572","0.0003","90","","100.589","0.001","90","","869.39","0.05","100","2","100","2","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","","","- C16 H17 N O5 S3 -","- C16 H17 N O5 S3 -","- C32 H34 N2 O10 S6 -","2","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0244","0.0242","","","0.0629","0.0631","","","","","","1.032","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506420","5.7099","0.0004","10.7256","0.0006","15.2849","0.0012","107.324","0.005","95.601","0.005","99.714","0.004","869.86","0.11","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C15 H16 N2 O5 S3 -","- C15 H16 N2 O5 S3 -","- C30 H32 N4 O10 S6 -","2","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0407","0.0381","","","0.0986","0.1004","","","","","","1.077","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506421","12.259","0.002","20.215","0.004","17.619","0.004","90","","97.105","0.004","90","","4332.7","1.5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H62 Ag3 Mo12 N14 O45 P -","- C48 H56 Ag3 Mo12 N14 O45 P -","- C96 H112 Ag6 Mo24 N28 O90 P2 -","2","1","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.1907","0.0899","","","0.1594","0.183","","","","","","1.082","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506422","12.1944","0.0008","20.2254","0.0013","17.5747","0.0011","90","","96.757","0.001","90","","4304.5","0.5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H54 Ag3 N12 O46 P W12 -","- C42 H42 Ag3 N12 O46 P W12 -","- C84 H84 Ag6 N24 O92 P2 W24 -","2","1","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.1045","0.0536","","","0.1076","0.1203","","","","","","1.035","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506423","11.6621","0.0009","13.4355","0.0011","13.9027","0.001","76.274","0.005","67.563","0.005","69.521","0.003","1872.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H39 Ag3 Mo12 N15 O40 P -","- C42 H39 Ag3 Mo12 N15 O40 P -","- C42 H39 Ag3 Mo12 N15 O40 P -","1","0.5","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.115","0.0855","","","0.1899","0.1998","","","","","","1.084","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506424","14.2253","0.0007","15.622","0.0008","17.6383","0.0009","90.988","0.004","95.278","0.003","92.213","0.003","3899.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.25 H36.5 Ag2.5 N11 O43 P W12 -","- C33.25 H33 Ag2.5 N11 O43 P W12 -","- C66.5 H66 Ag5 N22 O86 P2 W24 -","2","1","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.1431","0.059","","","0.1293","0.1494","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506425","12.1185","0.0012","13.7109","0.0013","14.0587","0.0014","73.451","0.002","82.619","0.002","73.22","0.002","2141.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H51 Ag3 Mo12 N13 O42 P -","- C45 H42 Ag3 Mo12 N13 O42 P -","- C45 H42 Ag3 Mo12 N13 O42 P -","1","0.5","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.085","0.0706","","","0.1609","0.1652","","","","","","1.176","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506426","12.1046","0.0002","12.9993","0.0002","14.1836","0.0002","105.089","0.001","90.227","0.001","102.789","0.001","2096.9","0.06","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H46 Ag3 Mo12 N16 O41 P -","- C45 H46 Ag3 Mo12 N16 O41 P -","- C45 H46 Ag3 Mo12 N16 O41 P -","1","0.5","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.0692","0.0465","","","0.1132","0.1238","","","","","","1.061","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506427","18.7606","0.0008","8.7418","0.0004","28.8086","0.0012","90","","101.736","0.001","90","","4625.9","0.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,1',3,3'-tetra(2-methyl-2-nonyl)ferrocene","","","- C50 H90 Fe -","- C50 H90 Fe -","- C200 H360 Fe4 -","4","0.5","","Clapsaddle, Brady J.; Caamaño, Samira; Hebert, Gretchen N.; Bayless, Michael B.; Kobayashi, Yoshihiro; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structures of 1,1′,3,3′-Tetra(2-methyl-2-nonyl)ferrocenium(1+) Oxoanion(1−) Salts. Layered Materials with Alternating Ionic and Low-Dielectric Paraffin-Like Domains Through Which Anion Diffusion is Rapid","Crystal Growth & Design","2012","12","8","3868","","10.1021/cg3000872","","","0.71073","MoKα","","0.1387","0.0675","","0.1622","0.1385","","","","0.865","1.059","1.059","","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506428","10.2152","0.001","8.7223","0.0008","27.602","0.003","90","","99.074","0.002","90","","2428.6","0.4","373","2","373","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H90 Cl Fe O4 -","- C50 H90 Cl Fe O4 -","- C100 H180 Cl2 Fe2 O8 -","2","0.5","","Clapsaddle, Brady J.; Caamaño, Samira; Hebert, Gretchen N.; Bayless, Michael B.; Kobayashi, Yoshihiro; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structures of 1,1′,3,3′-Tetra(2-methyl-2-nonyl)ferrocenium(1+) Oxoanion(1−) Salts. Layered Materials with Alternating Ionic and Low-Dielectric Paraffin-Like Domains Through Which Anion Diffusion is Rapid","Crystal Growth & Design","2012","12","8","3868","","10.1021/cg3000872","","","0.71073","MoKα","","0.0889","0.0542","","","0.129","0.1447","","","","","","1.033","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506429","9.3913","0.0014","8.6868","0.0013","29.695","0.005","90","","93.691","0.004","90","","2417.5","0.7","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","[DEC][NO~3~]","1,1',3,3'-tetra(2-methyl-2-nonyl)ferrocenium nitrate","","- C50 H90 Fe N O3 -","- C50 H90 Fe N O3 -","- C100 H180 Fe2 N2 O6 -","2","0.5","","Clapsaddle, Brady J.; Caamaño, Samira; Hebert, Gretchen N.; Bayless, Michael B.; Kobayashi, Yoshihiro; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structures of 1,1′,3,3′-Tetra(2-methyl-2-nonyl)ferrocenium(1+) Oxoanion(1−) Salts. Layered Materials with Alternating Ionic and Low-Dielectric Paraffin-Like Domains Through Which Anion Diffusion is Rapid","Crystal Growth & Design","2012","12","8","3868","","10.1021/cg3000872","","","0.71073","MoKα","","0.0772","0.0484","","","0.1068","0.118","","","","","","1.023","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506430","10.458","0.002","8.8509","0.0017","27.359","0.006","90","","99.311","0.004","90","","2499.1","0.9","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H90 Fe O4 Re -","- C50 H90 Fe O4.108 Re -","- C100 H180 Fe2 O8.216 Re2 -","2","0.5","","Clapsaddle, Brady J.; Caamaño, Samira; Hebert, Gretchen N.; Bayless, Michael B.; Kobayashi, Yoshihiro; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structures of 1,1′,3,3′-Tetra(2-methyl-2-nonyl)ferrocenium(1+) Oxoanion(1−) Salts. Layered Materials with Alternating Ionic and Low-Dielectric Paraffin-Like Domains Through Which Anion Diffusion is Rapid","Crystal Growth & Design","2012","12","8","3868","","10.1021/cg3000872","","","0.71073","MoKα","","0.0617","0.0421","","","0.0887","0.0955","","","","","","0.996","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506431","37.3364","0.0014","15.7791","0.0008","12.1979","0.0005","90","","101.693","0.004","90","","7037.1","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 Ni O0.5 P2 -","- C36 H24 F12 N6 Ni O0.5 P2 -","- C288 H192 F96 N48 Ni8 O4 P16 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0403","0.0361","","","0.0888","0.0899","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506432","37.149","0.002","15.8742","0.001","12.1522","0.0009","90","","101.574","0.006","90","","7020.6","0.8","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 O0.5 P2 Ru -","- C36 H24 F12 N6 O0.5 P2 Ru -","- C288 H192 F96 N48 O4 P16 Ru8 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0458","0.0388","","","0.082","0.0834","","","","","","1.039","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506433","37.1678","0.0013","15.7813","0.0005","12.1409","0.0003","90","","101.619","0.003","90","","6975.4","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 Ni0.5 O0.5 P2 Ru0.5 -","- C36 H24 F12 N6 Ni0.5 O0.5 P2 Ru0.5 -","- C288 H192 F96 N48 Ni4 O4 P16 Ru4 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0621","0.0477","","","0.0969","0.1002","","","","","","1.094","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506434","10.6804","0.0003","10.6804","0.0003","16.5274","0.0005","90","","90","","120","","1632.71","0.08","225","2","225","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ni P2 -","- C30 H24 F12 N6 Ni P2 -","- C60 H48 F24 N12 Ni2 P4 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.054","0.0362","","","0.0815","0.0845","","","","","","1.011","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506435","10.7046","0.0002","10.7046","0.0002","16.3796","0.0004","90","","90","","120","","1625.45","0.06","225","2","225","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 P2 Ru -","- C30 H24 F12 N6 P2 Ru -","- C60 H48 F24 N12 P4 Ru2 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0348","0.0268","","","0.068","0.0703","","","","","","1.024","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506436","10.68488","0.00017","10.68488","0.00017","16.4633","0.0003","90","","90","","120","","1627.75","0.05","225","2","225","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ni0.65 P2 Ru0.35 -","- C30 H24 F12 N6 Ni0.65 P2 Ru0.35 -","- C60 H48 F24 N12 Ni1.3 P4 Ru0.7 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0372","0.0313","","","0.0754","0.0771","","","","","","1.029","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506437","7.3319","0.0015","12.459","0.003","18.157","0.004","90","","100.93","0.03","90","","1628.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O10 Zn -","- C12 H18 N2 O10 Zn -","- C48 H72 N8 O40 Zn4 -","4","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0408","0.0324","","","0.0704","0.0749","","","","","","1.088","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506438","11.846","0.002","11.846","0.002","8.3276","0.0017","90","","90","","120","","1012","0.3","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H6 N2 O6 Zn -","- C36 H18 N6 O18 Zn3 -","3","0.5","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.1118","0.0876","","","0.1749","0.1857","","","","","","1.002","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506439","7.3326","0.0015","13.46","0.003","14.19","0.003","90","","90","","90","","1400.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Co N2 O7 -","- C12 H6 Co N2 O7 -","- C48 H24 Co4 N8 O28 -","4","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0328","0.032","","","0.0812","0.0815","","","","","","1.094","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506440","21.695","0.004","8.8627","0.0018","13.476","0.003","90","","125.77","0.03","90","","2102.4","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N2 O5 -","- C12 H6 Cu N2 O5 -","- C96 H48 Cu8 N16 O40 -","8","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0458","0.0384","","","0.0921","0.0956","","","","","","1.082","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506441","6.7519","0.0014","13.246","0.003","13.27","0.003","90","","90","","90","","1186.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Mn N2 O6 -","- C12 H6 Mn N2 O6 -","- C48 H24 Mn4 N8 O24 -","4","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0813","0.065","","","0.1599","0.1741","","","","","","1.056","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506442","9.1705","0.0008","10.7258","0.001","12.7688","0.0012","86.261","0.003","84.515","0.003","64.288","0.003","1126.02","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co La2 N12 O20 -","- C40 H28 Co La2 N12 O20 -","- C40 H28 Co La2 N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0367","0.034","","","0.0859","0.0868","","","","","","1.3","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506443","9.1359","0.0007","10.7085","0.0008","12.7553","0.0009","86.26","0.002","84.661","0.003","64.421","0.002","1120.25","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Ce2 Co N12 O20 -","- C40 H28 Ce2 Co N12 O20 -","- C40 H28 Ce2 Co N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0324","0.0311","","","0.0761","0.0767","","","","","","1.227","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506444","9.1438","0.001","10.6529","0.0012","12.6229","0.0014","84.768","0.003","84.951","0.003","63.115","0.002","1090.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co N12 O20 Pr2 -","- C40 H24 Co N12 O20 Pr2 -","- C40 H24 Co N12 O20 Pr2 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0439","0.0409","","","0.1064","0.1079","","","","","","1.176","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506445","9.1392","0.0007","10.6874","0.0009","12.6728","0.001","85.709","0.002","84.911","0.002","63.992","0.002","1107.18","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co N12 Nd2 O20 -","- C40 H28 Co N12 Nd2 O20 -","- C40 H28 Co N12 Nd2 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0398","0.036","","","0.0878","0.0904","","","","","","1.245","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506446","9.1722","0.0007","10.6883","0.0008","12.6395","0.001","84.691","0.002","84.866","0.002","63.115","0.002","1098.86","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co N12 O20 Sm2 -","- C40 H28 Co N12 O20 Sm2 -","- C40 H28 Co N12 O20 Sm2 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0345","0.0316","","","0.0645","0.0656","","","","","","1.175","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506447","9.5303","0.0018","10.526","0.002","13.192","0.003","73.487","0.004","86.001","0.004","63.889","0.003","1136.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Eu2 N12 O20 -","- C40 H28 Eu2 N12 O20 -","- C40 H28 Eu2 N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0385","0.0338","","","0.0835","0.0852","","","","","","1.217","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506448","9.2001","0.0016","10.6759","0.0018","12.631","0.002","83.966","0.004","84.79","0.004","62.573","0.003","1093.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co Gd2 N12 O20 -","- C40 H28 Co Gd2 N12 O20 -","- C40 H28 Co Gd2 N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0349","0.0312","","","0.0907","0.0989","","","","","","1.295","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506449","9.188","0.0009","10.6721","0.001","12.6208","0.0012","84.041","0.002","84.911","0.002","62.58","0.002","1091.4","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co N12 O20 Tb2 -","- C40 H28 Co N12 O20 Tb2 -","- C40 H28 Co N12 O20 Tb2 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0471","0.04","","","0.0929","0.104","","","","","","1.152","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506450","9.237","0.003","10.667","0.003","12.665","0.004","83.704","0.006","84.801","0.006","62.206","0.005","1096.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co Dy2 N12 O20 -","- C40 H28 Co Dy2 N12 O20 -","- C40 H28 Co Dy2 N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0406","0.0336","","","0.0786","0.1011","","","","","","1.147","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506451","6.7257","0.0001","20.8422","0.0004","20.1942","0.0004","90","","99.507","0.001","90","","2791.91","0.09","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Ca3 O24 -","- C18 H30 Ca3 O24 -","- C72 H120 Ca12 O96 -","4","0.5","","Vakiti, Raj Kishore; Garabato, Brady D.; Schieber, Natalie P.; Rucks, Melinda J.; Cao, Yan; Webb, Cathleen; Maddox, Jeremy B.; Celestian, Aaron; Pan, Wei-Ping; Yan, Bangbo","Synthesis and Characterization of Two- and Three-Dimensional Calcium Coordination Polymers Built with Benzene-1,3,5-tricarboxylate and/or Pyrazine-2-carboxylate","Crystal Growth & Design","2012","12","8","3937","","10.1021/cg3003349","","","0.71073","MoKα","","0.0625","0.0408","","","0.1029","0.1162","","","","","","0.947","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506452","8.9512","0.0002","12.9606","0.0004","14.406","0.0003","90","","90","","90","","1671.28","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Ca2 N2 O11 -","- C14 H12 Ca2 N2 O11 -","- C56 H48 Ca8 N8 O44 -","4","1","","Vakiti, Raj Kishore; Garabato, Brady D.; Schieber, Natalie P.; Rucks, Melinda J.; Cao, Yan; Webb, Cathleen; Maddox, Jeremy B.; Celestian, Aaron; Pan, Wei-Ping; Yan, Bangbo","Synthesis and Characterization of Two- and Three-Dimensional Calcium Coordination Polymers Built with Benzene-1,3,5-tricarboxylate and/or Pyrazine-2-carboxylate","Crystal Growth & Design","2012","12","8","3937","","10.1021/cg3003349","","","0.71073","MoKα","","0.0498","0.0328","","","0.0606","0.0648","","","","","","0.93","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506453","12.1144","0.0011","3.7765","0.0003","13.1365","0.0012","90","","115.484","0.001","90","","542.52","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pyrogallol","","- C6 H6 O3 -","- C6 H6 O3 -","- C24 H24 O12 -","4","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0392","0.0372","","","0.0981","0.0998","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506454","24.5039","0.0012","24.5039","0.0012","3.7849","0.0004","90","","90","","90","","2272.6","0.3","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","Pyrogallol 0.25 hydrate","","- C12 H13 O6.5 -","- C12 H13 O6.5 -","- C96 H104 O52 -","8","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0808","0.0788","","","0.1512","0.1522","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506455","6.687","0.009","7.074","0.009","11.721","0.016","80.61","0.02","87.92","0.02","76.02","0.02","530.8","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1:1 complex of pyrogallol and pyrazinamide","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C22 H22 N6 O8 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.1007","0.0779","","","0.2035","0.2176","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506456","17.056","0.002","5.8142","0.0007","18.163","0.002","90","","100.886","0.002","90","","1768.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2:4 complex of pyrogallol and isonicotinamide","","- C18 H18 N4 O5 -","- C18 H18 N4 O5 -","- C72 H72 N16 O20 -","4","2","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.106","0.0644","","","0.1192","0.1363","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506457","9.254","0.0008","9.5435","0.0009","10.0539","0.0009","72.464","0.001","83.73","0.002","80.092","0.001","832.47","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2:1 complex of pyrogallol and isonicotinamide","","- C18 H18 N2 O7 -","- C18 H18 N2 O7 -","- C36 H36 N4 O14 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0425","0.0389","","","0.095","0.0972","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506458","11.286","0.0013","19.551","0.002","7.8342","0.0009","90","","108.082","0.002","90","","1643.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 complex of pyrogallol and nicotinamide","","- C18 H18 N2 O7 -","- C18 H18 N2 O7 -","- C72 H72 N8 O28 -","4","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0604","0.0445","","","0.101","0.1073","","","","","","1.051","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506459","8.0271","0.0016","16.182","0.003","20.306","0.004","74.727","0.003","86.151","0.004","85.632","0.004","2534.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3:5 complex of pyrogallol and quinoline","","- C63 H53 N5 O9 -","- C63 H53 N5 O9 -","- C126 H106 N10 O18 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.1765","0.1158","","","0.2072","0.2313","","","","","","1.127","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506460","7.5553","0.0008","11.6292","0.0013","18.763","0.002","88.645","0.009","80.688","0.009","76.572","0.01","1582.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2:3 complex of pyrogallol and quinoline","","- C39 H33 N3 O6 -","- C39 H33 N3 O6 -","- C78 H66 N6 O12 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0906","0.0429","","","0.0754","0.0839","","","","","","0.826","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506461","7.6809","0.0007","10.0076","0.0009","13.4348","0.0012","73.35","0.001","82.756","0.002","84.385","0.002","979.43","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1:2 complex of pyrogallol and 2 hydroxyquinoline","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0463","0.0411","","","0.1048","0.109","","","","","","1.059","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506462","9.3257","0.001","9.5756","0.001","24.02","0.003","91.162","0.002","95.45","0.002","116.545","0.002","1905.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N6 O8 -","- C42 H40 N6 O8 -","- C84 H80 N12 O16 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.101","0.0642","","","0.1588","0.1821","","","","","","1.024","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506463","16.867","0.003","17.127","0.003","11.97","0.002","90","","93.268","0.003","90","","3452.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 Cd N4 O4 -","- C41 H34 Cd N4 O4 -","- C164 H136 Cd4 N16 O16 -","4","0.5","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2012","12","8","3957","","10.1021/cg300386p","","","0.71073","MoKα","","0.0335","0.0304","","","0.0758","0.078","","","","","","1.038","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506464","13.0956","0.0015","13.3473","0.0015","21.61","0.002","103.591","0.002","100.939","0.002","91.078","0.002","3596.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H78 Co2 N8 O9 -","- C86 H78 Co2 N8 O9 -","- C172 H156 Co4 N16 O18 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2012","12","8","3957","","10.1021/cg300386p","","","0.71073","MoKα","","0.0811","0.0595","","","0.1197","0.1238","","","","","","1.067","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506465","17.7338","0.0019","9.9058","0.001","22.944","0.003","90","","91.794","0.002","90","","4028.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 N4 Ni O5 -","- C41 H30 N4 Ni O5 -","- C164 H120 N16 Ni4 O20 -","4","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2012","12","8","3957","","10.1021/cg300386p","","","0.71073","MoKα","","0.1059","0.0633","","","0.1542","0.1694","","","","","","1.09","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506466","17.005","0.002","10.593","0.0013","24.0013","0.0019","90","","91.215","0.003","90","","4322.5","0.8","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 N4 Ni O5 -","- C41 H36 N4 Ni O5 -","- C164 H144 N16 Ni4 O20 -","4","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2012","12","8","3957","","10.1021/cg300386p","","","0.71073","MoKα","","0.0734","0.0529","","","0.1026","0.1069","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506467","6.9396","0.0007","7.3769","0.0007","21.345","0.002","90","","90","","90","","1092.71","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Cd2 Cl3 N5 -","- C6 H4 Cd2 Cl3 N5 -","- C24 H16 Cd8 Cl12 N20 -","4","1","","Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh","Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer","Crystal Growth & Design","2012","12","8","3825","","10.1021/cg300405j","","x-ray","0.71073","MoKα","","0.0133","0.0128","","","0.0247","0.025","","","","","","1.04","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506468","7.1323","0.0008","13.0072","0.0015","24.302","0.003","90","","90","","90","","2254.5","0.5","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C6 H7 Cd2 Cl2 N5 O2 -","- C6 H7 Cd2 Cl2 N5 O2 -","- C48 H56 Cd16 Cl16 N40 O16 -","8","1","","Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh","Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer","Crystal Growth & Design","2012","12","8","3825","","10.1021/cg300405j","","x-ray","0.71073","MoKα","","0.0202","0.0191","","","0.0472","0.0478","","","","","","1.122","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506469","10.323","0.003","20.812","0.005","10.166","0.003","90","","108.736","0.006","90","","2068.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Co N7 O6 -","- C20 H15 Co N7 O6 -","- C80 H60 Co4 N28 O24 -","4","1","","Zhu, Xia; Sun, Peng-Peng; Ding, Jian-Gang; Li, Bao-Long; Li, Hai-Yan","Tuning Cobalt Coordination Architectures by Bis(1,2,4-triazol-1-ylmethyl)benzene Position Isomers and 5-Nitroisophthalate","Crystal Growth & Design","2012","12","8","3992","","10.1021/cg300465r","","","0.7107","MoKα","","0.0657","0.0534","","","0.1187","0.1252","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506470","10.1925","0.0013","28.769","0.004","7.7372","0.001","90","","102.751","0.003","90","","2212.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Co N7 O7 -","- C21 H19 Co N7 O7 -","- C84 H76 Co4 N28 O28 -","4","1","","Zhu, Xia; Sun, Peng-Peng; Ding, Jian-Gang; Li, Bao-Long; Li, Hai-Yan","Tuning Cobalt Coordination Architectures by Bis(1,2,4-triazol-1-ylmethyl)benzene Position Isomers and 5-Nitroisophthalate","Crystal Growth & Design","2012","12","8","3992","","10.1021/cg300465r","","","0.7107","MoKα","","0.0459","0.0429","","","0.1045","0.1063","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506471","16.413","0.004","16.914","0.004","7.4606","0.0016","90","","95.163","0.008","90","","2062.7","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H17 Co N7 O7 -","- C20 H17 Co N7 O7 -","- C80 H68 Co4 N28 O28 -","4","1","","Zhu, Xia; Sun, Peng-Peng; Ding, Jian-Gang; Li, Bao-Long; Li, Hai-Yan","Tuning Cobalt Coordination Architectures by Bis(1,2,4-triazol-1-ylmethyl)benzene Position Isomers and 5-Nitroisophthalate","Crystal Growth & Design","2012","12","8","3992","","10.1021/cg300465r","","","0.7107","MoKα","","0.0459","0.0387","","","0.0814","0.0867","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506472","10.9851","0.0005","9.1493","0.0004","12.193","0.0005","90","","95.467","0.002","90","","1219.89","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0872","0.0611","","","0.1759","0.1943","","","","","","0.961","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506473","7.6301","0.0008","8.0885","0.0008","10.9791","0.0011","83.499","0.006","84.62","0.006","85.996","0.005","669.06","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C28 H28 Cl2 N6 O2 -","2","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0443","0.0393","","","0.1584","0.169","","","","","","0.961","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506474","35.231","0.004","7.2754","0.0008","24.078","0.002","90","","111.71","0.005","90","","5733.9","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C224 H224 N64 O64 -","16","2","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0955","0.0446","","","0.0998","0.1203","","","","","","0.955","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506475","12.7458","0.0013","8.445","0.0008","15.3489","0.0016","90","","105.319","0.007","90","","1593.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.1027","0.046","","","0.1178","0.1436","","","","","","0.942","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506476","9.7632","0.0008","11.229","0.001","12.587","0.001","84.504","0.006","73.247","0.006","71.892","0.006","1255.88","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N6 O8 -","- C24 H24 N6 O8 -","- C48 H48 N12 O16 -","2","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0551","0.0434","","","0.1278","0.1456","","","","","","0.978","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506477","11.144","0.0011","19.3775","0.0019","8.156","0.0008","90","","94.871","0.005","90","","1754.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N3 O6 P -","- C15 H20 N3 O6 P -","- C60 H80 N12 O24 P4 -","4","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0643","0.0482","","","0.1699","0.1935","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506478","20.5488","0.0008","8.7943","0.0004","22.5893","0.0009","90","","90","","90","","4082.2","0.3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C176 H184 N24 O40 -","8","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.1046","0.0496","","","0.1284","0.1505","","","","","","0.953","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506479","7.5534","0.0007","12.6592","0.0011","24.36","0.002","83.284","0.005","86.424","0.006","84.813","0.006","2300.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N5 O7 -","- C25 H19 N5 O7 -","- C100 H76 N20 O28 -","4","2","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.1619","0.055","","","0.1188","0.1662","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506480","11.9549","0.0013","12.3956","0.0015","16.3123","0.0019","90","","121.255","0.007","90","","2066.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O6 S -","- C18 H19 N3 O6 S -","- C72 H76 N12 O24 S4 -","4","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0991","0.0799","","","0.188","0.2149","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506481","15.1255","0.0018","7.2302","0.0009","17.2796","0.0019","90","","110.198","0.007","90","","1773.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Felodipine III","","","- C18 H19 Cl2 N O4 -","- C18 H19 Cl2 N O4 -","- C72 H76 Cl8 N4 O16 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Perlovich, German L.; Bauer-Brandl, Annette","Crystallization and Polymorphism of Felodipine","Crystal Growth & Design","2012","12","8","4022","","10.1021/cg300501u","","","0.71073","MoKα","","0.0938","0.0634","","","0.1327","0.1442","","","","","","1.118","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506482","11.1129","0.0009","12.5688","0.0011","13.4969","0.0011","90","","107.009","0.004","90","","1802.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Felodipine IV","","","- C18 H19 Cl2 N O4 -","- C18 H19 Cl2 N O4 -","- C72 H76 Cl8 N4 O16 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Perlovich, German L.; Bauer-Brandl, Annette","Crystallization and Polymorphism of Felodipine","Crystal Growth & Design","2012","12","8","4022","","10.1021/cg300501u","","","0.71073","MoKα","","0.1282","0.0758","","","0.1712","0.1984","","","","","","1.025","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506483","20.323","0.002","8.0506","0.0008","21.694","0.002","90","","103.831","0.001","90","","3446.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C144 H96 F24 N12 O24 P12 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0459","0.0344","","","0.092","0.1063","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506484","20.87","0.002","8.0774","0.0009","21.794","0.002","90","","104.595","0.002","90","","3555.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C144 H96 F24 N12 O24 P12 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.1083","0.0528","","","0.1359","0.1661","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506485","9.4435","0.0009","9.9248","0.001","18.6688","0.0019","103.683","0.001","96.009","0.001","91.803","0.001","1687.9","0.3","102","2","102","2","","","","","","","","6","P -1","-P 1","2","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C72 H48 F12 N6 O12 P6 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0458","0.0387","","","0.0937","0.0978","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506486","9.5962","0.0016","10.0555","0.0017","18.91","0.003","103.575","0.002","97.097","0.002","93.1","0.002","1753.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C72 H48 F12 N6 O12 P6 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0533","0.0439","","","0.112","0.1176","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506487","30.949","0.004","7.9159","0.0009","17.106","0.002","90","","122.82","0.002","90","","3521.8","0.7","253","2","253","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C144 H96 F24 N12 O24 P12 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0994","0.055","","","0.1367","0.1621","","","","","","1.031","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506488","30.97","0.003","7.9375","0.0008","17.1585","0.0016","90","","122.88","0.001","90","","3542.3","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Hexa(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C144 H96 F24 N12 O24 P12 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0919","0.0511","","","0.1291","0.1563","","","","","","0.989","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506489","25.993","0.002","15.7837","0.0015","16.8365","0.0016","90","","90.213","0.001","90","","6907.4","1.1","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C288 H192 F48 N24 O48 P24 -","8","2","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.1238","0.0446","","","0.0756","0.0929","","","","","","0.825","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506490","9.9941","0.0005","18.104","0.0009","23.2479","0.0011","68.2","0.005","79.457","0.004","78.836","0.004","3803","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H72 N8 O16 Zn3 -","- C83 H70 N8 O16 Zn3 -","- C166 H140 N16 O32 Zn6 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.1222","0.0567","","","0.0818","0.1013","","","","","","0.993","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506491","9.1606","0.0008","9.5015","0.0006","14.7655","0.0008","81.07","0.005","74.801","0.006","67.517","0.007","1143.78","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Cd N2 O6 -","- C26 H23 Cd N2 O6 -","- C52 H46 Cd2 N4 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.0639","0.0453","","","0.0659","0.0735","","","","","","1.016","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506492","7.851","0.0003","21.599","0.0007","17.144","0.0007","90","","101.739","0.004","90","","2846.37","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N4 O6 Zn -","- C31 H28 N4 O6 Zn -","- C124 H112 N16 O24 Zn4 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0754","0.0474","","","0.0946","0.1059","","","","","","1.028","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506493","7.4874","0.0003","22.1248","0.0008","17.3659","0.0007","90","","99.744","0.004","90","","2835.29","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Co N4 O6 -","- C31 H28 Co N4 O6 -","- C124 H112 Co4 N16 O24 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.0876","0.0593","","","0.1351","0.1512","","","","","","1.037","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506494","7.402","0.0003","21.926","0.0007","17.952","0.0009","90","","100.108","0.004","90","","2868.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cd N4 O6 -","- C31 H28 Cd N4 O6 -","- C124 H112 Cd4 N16 O24 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.077","0.0459","","","0.0803","0.0913","","","","","","1.049","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506495","7.188","0.004","22.296","0.0012","17.693","0.0013","90","","99.137","0.006","90","","2799.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N4 Ni O6 -","- C31 H28 N4 Ni O6 -","- C124 H112 N16 Ni4 O24 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.097","0.0515","","","0.0791","0.0934","","","","","","0.999","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506496","10.157","0.0004","10.883","0.0005","13.384","0.0005","91.536","0.003","91.42","0.003","113.823","0.004","1351.88","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N2 Ni O6 -","- C33 H24 N2 Ni O6 -","- C66 H48 N4 Ni2 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.1288","0.06","","","0.0983","0.1144","","","","","","0.921","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506497","10.098","0.0007","10.829","0.0007","13.482","0.0008","91.499","0.005","91.277","0.005","113.806","0.007","1347.51","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Co N2 O6 -","- C33 H24 Co N2 O6 -","- C66 H48 Co2 N4 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.1018","0.0556","","","0.0832","0.0983","","","","","","0.981","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506498","12.227","0.0004","15.141","0.0005","15.269","0.0004","84.13","0.003","87.014","0.003","78.248","0.003","2751.55","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H52 Co N4 O13 -","- C66 H46 Co N4 O13 -","- C132 H92 Co2 N8 O26 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0631","0.0457","","","0.1137","0.1249","","","","","","0.98","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506499","8.633","0.0003","12.473","0.0005","13.809","0.0007","66.781","0.004","83.009","0.004","83.085","0.003","1352.07","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Cd N2 O6 -","- C33 H24 Cd N2 O6 -","- C66 H48 Cd2 N4 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0419","0.0324","","","0.0647","0.07","","","","","","1.03","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506500","8.828","0.0004","12.27","0.0007","13.288","0.0007","68.387","0.005","83.3","0.004","84.279","0.004","1326.51","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Co N2 O6 -","- C33 H24 Co N2 O6 -","- C66 H48 Co2 N4 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0691","0.0452","","","0.0791","0.0882","","","","","","1.042","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506501","10.121","0.0005","12.14","0.0005","15.963","0.0007","91.406","0.003","103.997","0.004","109.971","0.004","1776.29","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Cd N4 O5 -","- C45 H30 Cd N4 O5 -","- C90 H60 Cd2 N8 O10 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0587","0.0417","","","0.0729","0.0801","","","","","","1.036","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506502","13.431","0.0007","7.031","0.0003","18.343","0.0008","90","","98.067","0.004","90","","1715.05","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O5 Pb -","- C21 H14 O5 Pb -","- C84 H56 O20 Pb4 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.0562","0.0387","","","0.0674","0.0762","","","","","","1.009","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506503","10.419","0.0004","10.498","0.0004","13.893","0.0007","101.786","0.004","95.302","0.004","110.196","0.004","1373.97","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N2 O6 Pb -","- C33 H22 N2 O6 Pb -","- C66 H44 N4 O12 Pb2 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.0471","0.0394","","","0.0715","0.0782","","","","","","1.05","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506504","13.496","0.007","13.547","0.005","15.455","0.005","79.84","0.005","87.95","0.008","60.152","0.005","2407.9","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 Co2 N10 O8 -","- C52 H38 Co2 N10 O8 -","- C104 H76 Co4 N20 O16 -","2","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.1071","0.0919","","","0.248","0.2615","","","","","","1.073","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506505","10.3104","0.0005","10.6393","0.0005","12.5964","0.0007","88.131","0.001","74.914","0.001","86.047","0.001","1330.82","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Co N6 O5 -","- C28 H24 Co N6 O5 -","- C56 H48 Co2 N12 O10 -","2","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.049","0.0354","","","0.0791","0.0835","","","","","","0.948","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506506","9.919","0.0008","31.53","0.002","9.918","0.0008","90","","118.97","","90","","2713.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Co N5 O6 -","- C32 H27 Co N5 O6 -","- C128 H108 Co4 N20 O24 -","4","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.0927","0.053","","","0.0758","0.085","","","","","","0.919","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506507","9.842","0.002","10.237","0.003","15.175","0.004","72.892","0.004","84.194","0.004","63.756","0.004","1309.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 Cd N5 O4 -","- C32 H23 Cd N5 O4 -","- C64 H46 Cd2 N10 O8 -","2","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.0601","0.0512","","","0.1302","0.1339","","","","","","0.983","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506508","9.8322","0.0017","10.2287","0.0017","15.171","0.003","72.934","0.002","84.297","0.003","63.824","0.002","1308.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 N5 O4 Zn -","- C32 H23 N5 O4 Zn -","- C64 H46 N10 O8 Zn2 -","2","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.0705","0.0663","","","0.2016","0.204","","","","","","1.05","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506509","28.978","0.006","11.392","0.002","21.953","0.004","90","","130.38","0.03","90","","5521","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cd N4 O7 -","- C28 H30 Cd N4 O7 -","- C224 H240 Cd8 N32 O56 -","8","1","","Wen, Lili; Ke, Xiaohuan; Qiu, Ling; Zou, Yang; Zhou, Li; Zhao, Jinbo; Li, Dongfeng","Assembly of Two Porous Cadmium(II) Frameworks: Selective Adsorption and Luminescent Property","Crystal Growth & Design","2012","12","8","4083","","10.1021/cg300566x","","","0.71073","MoKα","","0.1026","0.0862","","","0.1297","0.1361","","","","","","1.221","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506510","39.57","0.007","14.85","0.003","15.684","0.003","90","","96.219","0.003","90","","9162","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 Cd N8 O6 -","- C50 H42 Cd N8 O6 -","- C400 H336 Cd8 N64 O48 -","8","1","","Wen, Lili; Ke, Xiaohuan; Qiu, Ling; Zou, Yang; Zhou, Li; Zhao, Jinbo; Li, Dongfeng","Assembly of Two Porous Cadmium(II) Frameworks: Selective Adsorption and Luminescent Property","Crystal Growth & Design","2012","12","8","4083","","10.1021/cg300566x","","","0.71073","MoKα","","0.0795","0.0727","","","0.203","0.2105","","","","","","1.072","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506511","5.2406","0.0003","10.0477","0.0006","12.6006","0.0007","90","","95.678","0.004","90","","660.24","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Zhang, Si-Wei; Guzei, Ilia A.; de Villiers, Melgardt M.; Yu, Lian; Krzyzaniak, Joseph F.","Formation Enthalpies and Polymorphs of Nicotinamide‒R-Mandelic Acid Co-Crystals","Crystal Growth & Design","2012","12","8","4090","","10.1021/cg3005757","","","1.54178","CuKα","","0.0472","0.043","","","0.1138","0.1174","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506512","7.8733","0.00001","10.1432","0.00001","13.528","","68.355","0.012","79.645","0.016","70.702","0.014","945.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cd3 N2 O16 -","- C36 H32 Cd3 N2 O16 -","- C36 H32 Cd3 N2 O16 -","1","0.5","","Li, Lina; Wang, Shuyun; Chen, Tianliang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","Solvent-Dependent Formation of Cd(II) Coordination Polymers Based on aC2-Symmetric Tricarboxylate Linker","Crystal Growth & Design","2012","12","8","4109","","10.1021/cg300617h","","","0.71073","MoKα","","0.0724","0.0668","","","0.1735","0.1757","","","","","","1.21","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506513","19.9999","0.0017","10.0714","0.0006","18.942","0.0017","90","","101.196","0.006","90","","3742.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cd1.5 N O7 -","- C19 H16 Cd1.5 N O7 -","- C152 H128 Cd12 N8 O56 -","8","1","","Li, Lina; Wang, Shuyun; Chen, Tianliang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","Solvent-Dependent Formation of Cd(II) Coordination Polymers Based on aC2-Symmetric Tricarboxylate Linker","Crystal Growth & Design","2012","12","8","4109","","10.1021/cg300617h","","","0.71073","MoKα","","0.068","0.0523","","","0.1453","0.1619","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506514","13.5962","0.0013","18.848","0.002","7.7355","0.0008","90","","96.832","0.009","90","","1968.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cd N O8 -","- C19 H17 Cd N O8 -","- C76 H68 Cd4 N4 O32 -","4","1","","Li, Lina; Wang, Shuyun; Chen, Tianliang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","Solvent-Dependent Formation of Cd(II) Coordination Polymers Based on aC2-Symmetric Tricarboxylate Linker","Crystal Growth & Design","2012","12","8","4109","","10.1021/cg300617h","","","0.71073","MoKα","","0.0883","0.0632","","","0.1867","0.245","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506515","7.5799","0.0015","9.4213","0.0019","21.537","0.004","90","","90","","90","","1538","0.5","183","2","183","2","","","","","","","Synthesised by authors, see manuscript","5","P 21 21 21","P 2ac 2ab","19","aquabis(L-isoleucinato)copper(II)","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C12 H26 Cu N2 O5 -","- C48 H104 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.0301","0.0221","","","0.0529","0.0541","","","","","","0.997","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506516","23.2551","0.0014","9.4928","0.0004","7.5418","0.0004","90","","107.56","0.006","90","","1587.32","0.15","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C11.995 H25.988 Cu N2 O5 -","- C47.98 H103.952 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.0347","0.0308","","","0.0785","0.0812","","","","","","1.034","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506517","22.5755","0.0005","9.44266","0.00017","7.46733","0.00015","90","","106.25","0.002","90","","1528.24","0.06","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C12 H26 Cu N2 O5 -","- C48 H104 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.033","0.0303","","","0.0717","0.0738","","","","","","1.023","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506518","13.55","0.02","10.455","0.017","14","0.02","90","","91.81","0.04","90","","1982","5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N6 O4 -","- C18 H18 N6 O4 -","- C72 H72 N24 O16 -","4","1","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0842","0.0673","","","0.1805","0.1961","","","","","","1.048","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506519","6.5115","0.0013","19.407","0.003","9.7353","0.0017","90","","97.436","0.011","90","","1219.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Cu N6 O10 S -","- C18 H16 Cu N6 O10 S -","- C36 H32 Cu2 N12 O20 S2 -","2","1","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0698","0.0642","","","0.1551","0.1595","","","","","","1.022","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506520","23.341","0.002","10.2257","0.0009","19.3694","0.0018","90","","118.396","0.002","90","","4066.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cu F2 N12 O10 -","- C36 H40 Cu F2 N12 O10 -","- C144 H160 Cu4 F8 N48 O40 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0748","0.0651","","","0.1477","0.1528","","","","","","1.172","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506521","22.6201","0.0014","9.1958","0.0006","21.2862","0.0014","90","","118.149","0.001","90","","3904","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Cl2 Cu N12 O8 -","- C36 H33 Cl2 Cu N12 O8 -","- C144 H132 Cl8 Cu4 N48 O32 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0647","0.0478","","","0.1515","0.1657","","","","","","1.156","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506522","22.625","0.005","9.293","0.002","21.596","0.007","90","","118.573","0.003","90","","3987.6","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Br2 Cu N12 O8 -","- C36 H33 Br2 Cu N12 O8 -","- C144 H132 Br8 Cu4 N48 O32 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0936","0.061","","","0.1689","0.2051","","","","","","0.757","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506523","10.729","0.002","10.729","0.002","20.633","0.009","90","","90","","90","","2375.1","1.2","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 N2 Zn -","- C33 H72 Br8 N2 Zn -","- C66 H144 Br16 N4 Zn2 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0282","0.0235","","","0.0486","0.0497","","","","","","0.98","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506524","10.7332","0.0011","10.7332","0.0011","20.613","0.004","90","","90","","90","","2374.7","0.6","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 Co N2 -","- C33 H72 Br8 Co N2 -","- C66 H144 Br16 Co2 N4 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0625","0.042","","","0.0796","0.0869","","","","","","0.995","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506525","10.8409","0.0018","10.8409","0.0018","20.596","0.007","90","","90","","90","","2420.5","1","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 Cd N2 -","- C33 H72 Br8 Cd N2 -","- C66 H144 Br16 Cd2 N4 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0539","0.0402","","","0.0718","0.0751","","","","","","0.954","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506526","15.0828","0.0003","15.0828","0.0003","24.7518","0.0006","90","","90","","90","","5630.8","0.2","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C38 H72 Br8 F12 N2 Zn -","- C38 H72 Br8 F12 N2 Zn -","- C152 H288 Br32 F48 N8 Zn4 -","4","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.1018","0.0507","","","0.114","0.1422","","","","","","1.096","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506527","10.389","0.002","15.535","0.003","17.856","0.004","90","","101.447","0.005","90","","2824.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 Br7 N Pt -","- C17 H36 Br7 N Pt -","- C68 H144 Br28 N4 Pt4 -","4","1","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0819","0.0482","","","0.1221","0.1362","","","","","","1.043","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506528","10.466","0.002","13.532","0.003","16.404","0.004","90","","108.214","0.004","90","","2206.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 Br5 Cu N -","- C13 H29 Br5 Cu N -","- C52 H116 Br20 Cu4 N4 -","4","1","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0845","0.0485","","","0.107","0.1226","","","","","","0.985","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506529","15.163","0.003","11.876","0.002","18.546","0.004","90","","90","","90","","3339.7","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 F6 N2 P -","- C12 H25 F6 N2 P -","- C96 H200 F48 N16 P8 -","8","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.1427","0.064","","","0.1535","0.1961","","","","","","1.016","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506530","8.626","0.0005","14.422","0.0007","14.698","0.0007","90","","90.573","0.002","90","","1828.4","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 F6 N2 P -","- C14 H29 F6 N2 P -","- C56 H116 F24 N8 P4 -","4","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.1026","0.0657","","","0.14","0.166","","","","","","1.113","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506531","7.902","0.0003","6.912","0.0004","37.353","0.0019","90","","90","","90","","2040.17","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H33 F6 N2 P -","- C16 H33 F6 N2 P -","- C64 H132 F24 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.1146","0.073","","","0.1982","0.2375","","","","","","1.071","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506532","6.9392","0.0003","7.9029","0.0004","47.448","0.002","90","","90","","90","","2602","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H45 F6 N2 P -","- C22 H45 F6 N2 P -","- C88 H180 F24 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0976","0.0652","","","0.1737","0.2014","","","","","","1.117","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506533","9.4933","0.0003","8.1792","0.0002","13.4645","0.0004","90","","109.156","0.002","90","","987.6","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 I2 N2 -","- C6 H12 I2 N2 -","- C24 H48 I8 N8 -","4","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.0291","0.0237","","","0.046","0.0474","","","","","","1.079","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506534","10.5581","0.0003","8.8016","0.0002","15.1947","0.0003","90","","90","","90","","1412.02","0.06","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H13 Cl3 I2 N2 -","- C7 H13 Cl3 I2 N2 -","- C28 H52 Cl12 I8 N8 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.0367","0.0265","","","0.0463","0.0488","","","","","","1.032","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506535","13.4915","0.0005","39.8655","0.0017","6.4622","0.0002","90","","107.925","0.002","90","","3307","0.2","123","2","123","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H12 I4 N2 -","- C6 H12 I4 N2 -","- C60 H120 I40 N20 -","10","2.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.0627","0.0424","","","0.0912","0.1004","","","","","","1.044","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506536","17.564","0.0007","8.4479","0.0004","13.0119","0.0005","90","","90","","90","","1930.69","0.14","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H25 F6 I2 N2 P -","- C12 H25 F6 I2 N2 P -","- C48 H100 F24 I8 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0543","0.0488","","","0.1027","0.1048","","","","","","1.179","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506537","9.9339","0.0006","8.5824","0.0006","26.369","0.0015","90","","104.98","0.004","90","","2171.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H29 F6 I2 N2 P -","- C14 H29 F6 I2 N2 P -","- C56 H116 F24 I8 N8 P4 -","4","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.1632","0.0679","","","0.0988","0.1259","","","","","","1.047","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506538","9.9961","0.00029","8.762","0.00029","13.6435","0.0005","90","0.005","108.112","0.005","90","0.005","1135.77","0.07","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H29 F6 I2 N2 P -","- C14 H29 F6 I2 N2 P -","- C28 H58 F12 I4 N4 P2 -","2","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0916","0.0488","","","0.1123","0.1334","","","","","","1.023","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506539","7.28","0.0004","7.775","0.0005","20.867","0.0011","99.297","0.003","95.362","0.004","91.801","0.004","1159.2","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H33 F6 I2 N2 P -","- C16 H33 F6 I2 N2 P -","- C32 H66 F12 I4 N4 P2 -","2","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0607","0.0489","","","0.1321","0.1485","","","","","","1.156","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506540","7.265","0.0002","7.767","0.0003","22.458","0.0006","80.302","0.002","89.118","0.002","88.207","0.002","1248.46","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H37 F6 I2 N2 P -","- C18 H37 F6 I2 N2 P -","- C36 H74 F12 I4 N4 P2 -","2","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0422","0.0322","","","0.0642","0.0778","","","","","","1.186","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506541","7.3","0.0002","7.759","0.0003","23.936","0.0009","97.593","0.002","93.512","0.002","91.793","0.002","1340.28","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H41 F6 I2 N2 P -","- C20 H41 F6 I2 N2 P -","- C40 H82 F12 I4 N4 P2 -","2","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0548","0.0387","","","0.0753","0.0917","","","","","","1.075","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506542","7.2822","0.0007","7.7561","0.0007","25.708","0.003","95.617","0.003","97.403","0.003","91.763","0.004","1431.6","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H45 F6 I2 N2 P -","- C22 H45 F6 I2 N2 P -","- C44 H90 F12 I4 N4 P2 -","2","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0572","0.0527","","","0.1428","0.1469","","","","","","1.1","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506543","11.1267","0.0006","12.8597","0.0007","21.0138","0.0014","90","","119.836","0.004","90","","2608.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 N10 O24 Zn3 -","- C38 H60 N10 O24 Zn3 -","- C76 H120 N20 O48 Zn6 -","2","0.5","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.1104","0.0622","","","0.1004","0.1156","","","","","","1","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506544","10.715","0.002","12.993","0.003","20.374","0.004","107.23","0.03","91.26","0.03","110.36","0.03","2515","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 N6 O27 S4 Zn3 -","- C32 H50 N6 O27 S4 Zn3 -","- C64 H100 N12 O54 S8 Zn6 -","2","1","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.1078","0.0706","","","0.1686","0.1987","","","","","","1.003","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506545","11.875","0.002","5.0074","0.001","30.424","0.008","90","","111.91","0.03","90","","1678.4","0.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H18 N3 Na O12 Zn -","- C12 H12 N3 Na O12 Zn -","- C48 H48 N12 Na4 O48 Zn4 -","4","1","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.0691","0.0595","","","0.1882","0.2085","","","","","","1.069","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506546","5.5807","0.0011","13.793","0.003","24.064","0.005","90","","95.91","0.03","90","","1842.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 O26 Zn5 -","- C24 H24 N6 O26 Zn5 -","- C48 H48 N12 O52 Zn10 -","2","0.5","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.0705","0.0538","","","0.1338","0.158","","","","","","1.037","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506547","25.826","0.005","7.7641","0.0016","36.021","0.011","90","","132.767","0.018","90","","5302","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N10 O24 Zn3 -","- C48 H42 N10 O24 Zn3 -","- C192 H168 N40 O96 Zn12 -","4","1","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.1474","0.0964","","","0.2892","0.3553","","","","","","1.099","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506548","12.618","0.003","12.927","0.003","13.012","0.003","78.3","0.03","62.22","0.03","62.07","0.03","1658.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 N18 O26 Zn3 -","- C48 H50 N18 O26 Zn3 -","- C48 H50 N18 O26 Zn3 -","1","0.5","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.0839","0.0751","","","0.2311","0.2417","","","","","","1.085","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506549","12.341","0.003","25.96","0.005","13.67","0.003","90","","98.81","0.03","90","","4327.8","1.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H102 Co3 N8 O20 -","- C86 H102 Co3 N8 O20 -","- C172 H204 Co6 N16 O40 -","2","0.5","","Kim, Dongwook; Song, Xiaokai; Yoon, Jung Hee; Lah, Myoung Soo","3,6-Connected Metal‒Organic Frameworks Based on Triscarboxylate as a 3-Connected Organic Node and a Linear Trinuclear Co3(COO)6Secondary Building Unit as a 6-Connected Node","Crystal Growth & Design","2012","12","8","4186","","10.1021/cg300686n","","","0.71073","MoKα","","0.0912","0.0433","","","0.0829","0.1099","","","","","","1.082","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506550","25.472","0.004","25.472","0.004","13.143","0.003","90","","90","","120","","7385","2","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C62 H48 Co3 N2 O14 -","- C62 H48 Co3 N2 O14 -","- C186 H144 Co9 N6 O42 -","3","0.5","","Kim, Dongwook; Song, Xiaokai; Yoon, Jung Hee; Lah, Myoung Soo","3,6-Connected Metal‒Organic Frameworks Based on Triscarboxylate as a 3-Connected Organic Node and a Linear Trinuclear Co3(COO)6Secondary Building Unit as a 6-Connected Node","Crystal Growth & Design","2012","12","8","4186","","10.1021/cg300686n","","","0.71073","MoKα","","0.0872","0.08","","","0.2238","0.2319","","","","","","1.024","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506551","36.15","0.003","5.3476","0.0004","7.3795","0.0005","90","","90","","90","","1426.57","0.19","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H24 Ag3 N7 S2 -","- C27 H24 Ag3 N7 S2 -","- C54 H48 Ag6 N14 S4 -","2","0.5","","Lee, Eunji; Seo, Joobeom; Lee, Shim Sung; Park, Ki-Min","A Triple-Stranded Ladder-Type Coordination Polymer","Crystal Growth & Design","2012","12","8","3834","","10.1021/cg300692y","","","0.71073","MoKα","","0.0639","0.0374","","","0.0756","0.0939","","","","","","1.023","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506552","8.1645","0.0008","8.2253","0.0008","12.3145","0.0012","83.306","0.002","80.59","0.002","63.071","0.002","726.54","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Ag N3 S2 -","- C13 H12 Ag N3 S2 -","- C26 H24 Ag2 N6 S4 -","2","1","","Lee, Eunji; Seo, Joobeom; Lee, Shim Sung; Park, Ki-Min","A Triple-Stranded Ladder-Type Coordination Polymer","Crystal Growth & Design","2012","12","8","3834","","10.1021/cg300692y","","","0.71073","MoKα","","0.0357","0.0274","","","0.0647","0.0695","","","","","","1.025","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506553","14.0961","0.0012","12.5984","0.001","27.219","0.002","90","","97.396","0.002","90","","4793.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H64 N10 O7 S2 -","- C45 H64 N10 O7 S2 -","- C180 H256 N40 O28 S8 -","4","1","","Clarke, Heather D.; Hickey, Magali B.; Moulton, Brian; Perman, Jason A.; Peterson, Matthew L.; Wojtas, Łukasz; Almarsson, Örn; Zaworotko, Michael J.","Crystal Engineering of Isostructural Quaternary Multicomponent Crystal Forms of Olanzapine","Crystal Growth & Design","2012","12","8","4194","","10.1021/cg3007052","","","0.71073","MoKα","","0.1182","0.0669","","","0.1417","0.1642","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506554","14.1966","0.0007","12.5375","0.0006","27.4599","0.0015","90","","96.579","0.003","90","","4855.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H65 N9 O8 S2 -","- C46 H65 N9 O8 S2 -","- C184 H260 N36 O32 S8 -","4","1","","Clarke, Heather D.; Hickey, Magali B.; Moulton, Brian; Perman, Jason A.; Peterson, Matthew L.; Wojtas, Łukasz; Almarsson, Örn; Zaworotko, Michael J.","Crystal Engineering of Isostructural Quaternary Multicomponent Crystal Forms of Olanzapine","Crystal Growth & Design","2012","12","8","4194","","10.1021/cg3007052","","","1.54178","CuKα","","0.1091","0.0684","","","0.1831","0.2116","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506555","37.41","0.004","5.355","0.001","18.535","0.003","90","","109.97","0.01","90","","3489.9","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","oxcarbazepine-succinic acid-chloroform cocrystal solvate","","","- C35 H31 Cl3 N4 O8 -","- C35 H31 Cl3 N4 O8 -","- C140 H124 Cl12 N16 O32 -","4","0.5","","Chadha, Renu; Saini, Anupam; Jain, Dharamvir S.; Venugopalan, P.","Preparation and Solid-State Characterization of Three Novel Multicomponent Solid Forms of Oxcarbazepine: Improvement in Solubility through Saccharin Cocrystal","Crystal Growth & Design","2012","12","8","4211","","10.1021/cg3007102","","","0.71073","MoKα","","0.1068","0.0647","","","0.1653","0.1869","","","","","","1.048","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506556","28.302","0.006","7.0921","0.0014","16.752","0.003","90","","125.03","0.03","90","","2753.4","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl N3 O8 Pr -","- C11 H5 Cl N3 O8 Pr -","- C88 H40 Cl8 N24 O64 Pr8 -","8","1","","Jing, Xuemin; Zhou, Xiaoying; Zhao, Tingting; Huo, Qisheng; Liu, Yunling","Construction of Lanthanide‒Organic Frameworks from 2-(pyridine-3-yl)-1H-4,5-imidazoledicarboxylate and Oxalate","Crystal Growth & Design","2012","12","8","4225","","10.1021/cg300719z","","","0.71073","MoKα","","0.0412","0.0378","","","0.1069","0.1094","","","","","","1.026","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506557","28.038","0.006","7.008","0.0014","16.563","0.003","90","","125.2","0.03","90","","2659.4","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl N3 Nd O8 -","- C11 H5 Cl N3 Nd O8 -","- C88 H40 Cl8 N24 Nd8 O64 -","8","1","","Jing, Xuemin; Zhou, Xiaoying; Zhao, Tingting; Huo, Qisheng; Liu, Yunling","Construction of Lanthanide‒Organic Frameworks from 2-(pyridine-3-yl)-1H-4,5-imidazoledicarboxylate and Oxalate","Crystal Growth & Design","2012","12","8","4225","","10.1021/cg300719z","","","0.71073","MoKα","","0.0477","0.0468","","","0.1372","0.1381","","","","","","1.124","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506558","28.229","0.006","7.0072","0.0014","16.661","0.003","90","","125.17","0.03","90","","2694","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl N3 O8 Sm -","- C11 H5 Cl N3 O8 Sm -","- C88 H40 Cl8 N24 O64 Sm8 -","8","1","","Jing, Xuemin; Zhou, Xiaoying; Zhao, Tingting; Huo, Qisheng; Liu, Yunling","Construction of Lanthanide‒Organic Frameworks from 2-(pyridine-3-yl)-1H-4,5-imidazoledicarboxylate and Oxalate","Crystal Growth & Design","2012","12","8","4225","","10.1021/cg300719z","","","0.71073","MoKα","","0.0577","0.0563","","","0.1469","0.148","","","","","","1.07","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506559","5.859","0.0005","46.95","0.004","8.1829","0.0009","90","0.007","94.077","0.007","90","0.007","2245.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","(EDT-TTF-I)(TCNQF4)","","","- C20 H5 F4 I N4 S6 -","- C20 H5 F4 I N4 S6 -","- C80 H20 F16 I4 N16 S24 -","4","2","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.053","0.0396","","","0.0849","0.0936","","","","","","1.007","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506560","6.712","0.0013","7.815","0.0016","17.686","0.004","91.79","0.03","99.44","0.03","105","0.03","881.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(EDT-TTF-I)2(TCNQF2)","","","- C14 H6 F I N2 S6 -","- C14 H6 F I N2 S6 -","- C28 H12 F2 I2 N4 S12 -","2","1","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.0868","0.0526","","","0.1089","0.1214","","","","","","1.104","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506561","22.784","0.005","6.6158","0.0013","14.989","0.003","90","","94.86","0.03","90","","2251.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(EDT-TTF-I)(TCNQ)","","","- C20 H9 I N4 S6 -","- C20 H9 I N4 S6 -","- C80 H36 I4 N16 S24 -","4","1","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.0695","0.0486","","","0.101","0.1078","","","","","","1.177","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506562","8.2393","0.0005","8.4412","0.0005","12.7149","0.0008","81.295","0.002","82.515","0.002","80.488","0.002","857.07","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTF-I)2(TCNQ)","","","- C28 H14 I2 N4 S12 -","- C28 H14 I2 N4 S12 -","- C28 H14 I2 N4 S12 -","1","0.5","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.0294","0.0254","","","0.061","0.0645","","","","","","1.054","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506563","16.528","0.003","8.6531","0.0014","18.604","0.003","90","","104.03","0.005","90","","2581.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Br2 Cu3 N8 O15 -","- C48 H36 Br2 Cu3 N8 O15 -","- C96 H72 Br4 Cu6 N16 O30 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.0914","0.0517","","","0.1351","0.1517","","","","","","0.93","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506564","20.984","0.003","21.858","0.003","20.929","0.003","90","","111.872","0.005","90","","8908","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H38 Br3 Cu3 N8 O6 -","- C45 H34 Br3 Cu3 N8 O6 -","- C360 H272 Br24 Cu24 N64 O48 -","8","1","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.1406","0.0606","","","0.1519","0.1774","","","","","","0.932","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506565","12.353","0.003","10.952","0.002","19.413","0.004","90","","102.469","0.006","90","","2564.4","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H42 Br2 Cu3 N8 O10 -","- C56 H38 Br2 Cu3 N8 O10 -","- C112 H76 Br4 Cu6 N16 O20 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.0456","0.0336","","","0.1008","0.1095","","","","","","0.831","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506566","8.6674","0.0008","10.805","0.0011","21.815","0.002","90","","99.205","0.003","90","","2016.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br2 Cu N4 O2 -","- C20 H14 Br2 Cu N4 O2 -","- C80 H56 Br8 Cu4 N16 O8 -","4","1","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.0503","0.0367","","","0.1144","0.1229","","","","","","0.916","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506567","8.7967","0.0017","13.421","0.003","20.615","0.004","90","","92.277","0.006","90","","2431.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N4 Ni O5 -","- C28 H18 N4 Ni O5 -","- C112 H72 N16 Ni4 O20 -","4","1","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.0661","0.0403","","","0.1141","0.1293","","","","","","0.865","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506568","8.841","0.004","10.104","0.005","14.995","0.007","99.322","0.015","90.675","0.016","108.535","0.014","1250.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Co2 N8 O14 -","- C56 H36 Co2 N8 O14 -","- C56 H36 Co2 N8 O14 -","1","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.1659","0.0906","","","0.1885","0.2165","","","","","","1.001","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506569","19.533","0.002","8.3503","0.0009","19.621","0.002","90","","90","","90","","3200.3","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H26 Fe N10 O -","- C36 H26 Fe N10 O -","- C144 H104 Fe4 N40 O4 -","4","0.5","","Zhang, Xiu-Tang; Sun, Di; Li, Bao; Fan, Li-Ming; Li, Bin; Wei, Pei-Hai","Unusual High Thermal Stablility of a 2D →3D Polycatenated Fe(II) Metal‒Organic Framework Showing Guest-Dependent Spin-Crossover Behavior and High Spin-Transition Temperature","Crystal Growth & Design","2012","12","8","3845","","10.1021/cg3007876","","","0.71073","MoKα","","0.0671","0.0548","","","0.1468","0.1572","","","","","","1.082","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506570","13.759","0.002","9.2339","0.0014","12.446","0.002","90","","100.83","0.004","90","","1553.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O2 P2 -","- C36 H34 N2 O2 P2 -","- C72 H68 N4 O4 P4 -","2","0.5","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.114","0.0601","","","0.1462","0.1739","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506571","8.9376","0.0004","11.005","0.0004","20.1043","0.0008","92.454","0.002","99.465","0.002","94.712","0.002","1940.72","0.14","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H40 Au2 Cl2 N2 O3 P2 S -","- C38 H40 Au2 Cl2 N2 O3 P2 S -","- C76 H80 Au4 Cl4 N4 O6 P4 S2 -","2","1","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.0873","0.0433","","","0.0806","0.0956","","","","","","1.001","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506572","9.5496","0.0011","11.4242","0.0013","12.152","0.0013","111.78","0.003","105.439","0.002","93.347","0.003","1168.2","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H17 Ag F3 N O3 P -","- C20 H17 Ag F3 N O3 P -","- C40 H34 Ag2 F6 N2 O6 P2 -","2","1","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.0641","0.0403","","","0.0766","0.0816","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506573","8.0763","0.0002","19.9989","0.0004","27.302","0.0006","90","","90","","90","","4409.74","0.17","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H36 Ag2 F6 N2 O10 P2 S2 -","- C38 H36 Ag2 F6 N2 O10 P2 S2 -","- C152 H144 Ag8 F24 N8 O40 P8 S8 -","4","0.5","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.0687","0.0536","","","0.1487","0.1632","","","","","","1.033","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506574","8.5642","0.001","12.1117","0.0015","14.031","0.002","109.464","0.004","101.095","0.004","105.262","0.003","1259.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cl12 N2 O4 P2 -","- C40 H38 Cl12 N2 O4 P2 -","- C40 H38 Cl12 N2 O4 P2 -","1","0.5","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.1382","0.095","","","0.229","0.2587","","","","","","1.06","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506575","10.9445","0.0005","17.8505","0.0007","9.2774","0.0004","90","","104.951","0.002","90","","1751.12","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","","Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher","General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity.","ACS combinatorial science","2012","14","8","460","464","10.1021/co300046r","","","0.71073","MoKα","","0.0469","0.0364","","","0.09","0.0968","","","","","","1.032","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506576","13.1973","0.0006","14.8812","0.0007","10.1948","0.0005","90","","110.978","0.003","90","","1869.47","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F3 N4 O2 -","- C21 H19 F3 N4 O2 -","- C84 H76 F12 N16 O8 -","4","1","","Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher","General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity.","ACS combinatorial science","2012","14","8","460","464","10.1021/co300046r","","","1.54178","CuKα","","0.0498","0.0368","","","0.0906","0.1003","","","","","","1.034","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506577","6.1622","0.0006","8.8128","0.0009","29.313","0.003","90","","90","","90","","1591.9","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0606","0.0534","","","0.1252","0.1292","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506578","22.398","0.003","15.1572","0.0017","23.824","0.003","90","","90","","90","","8088","1.7","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C360 H480 O72 -","24","3","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0791","0.0569","","","0.1651","0.178","","","","","","1.077","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506579","6.801","0.01","8.232","0.012","28.08","0.04","95.03","0.02","90.61","0.02","91.551","0.019","1565","4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H18 Cl2 O3 -","- C23 H18 Cl2 O3 -","- C46 H36 Cl4 O6 -","2","2","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.1714","0.1574","","","0.3464","0.3702","","","","","","1.363","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506580","8.9227","0.0018","14.534","0.003","15.883","0.003","90","","92.475","0.003","90","","2057.8","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0529","0.043","","","0.1271","0.1351","","","","","","1.076","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506581","8.362","0.002","16.147","0.004","11.767","0.003","90","","96.513","0.004","90","","1578.5","0.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0739","0.063","","","0.2021","0.2112","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506582","11.7148","0.0005","6.9828","0.0003","13.444","0.0006","90","","114.935","0.001","90","","997.24","0.08","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 Si -","- C21 H27 N O3 Si -","- C42 H54 N2 O6 Si2 -","2","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0275","0.0254","","","0.0648","0.0664","","","","","","1.033","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506583","8.52","0.0002","8.5557","0.0002","33.4637","0.0008","90","","90","","90","","2439.32","0.1","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N O4 S Si -","- C23 H32 F3 N O4 S Si -","- C92 H128 F12 N4 O16 S4 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0221","0.0214","","","0.0578","0.0583","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506584","12.6433","0.0004","13.8501","0.0004","14.684","0.0005","90","","90","","90","","2571.33","0.14","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O3 Si -","- C27 H39 N O3 Si -","- C108 H156 N4 O12 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","1.54178","CuKα","","0.0244","0.0244","","","0.0657","0.0657","","","","","","1.034","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506585","7.5343","0.0003","8.5707","0.0004","25.2748","0.0011","90","","90","","90","","1632.1","0.12","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O Si -","- C16 H20 Cl N O Si -","- C64 H80 Cl4 N4 O4 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0245","0.0224","","","0.0582","0.0603","","","","","","1.07","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506586","9.4259","0.0017","5.1093","0.001","12.799","0.002","90","","110.279","0.003","90","","578.19","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H8 Br N3 O3 -","- C11 H8 Br N3 O3 -","- C22 H16 Br2 N6 O6 -","2","1","","Li, Wenjun; Liu, Hui; Jiang, Xuefeng; Wang, Jian","Enantioselective Organocatalytic Conjugate Addition of Nitroalkanes to Electrophilic 2-Iminochromenes","ACS Catalysis","2012","2","8","1535","","10.1021/cs300313j","","","0.71073","MoKα","","0.037","0.033","","","0.0785","0.0798","","","","","","1.045","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506587","31.222","0.005","17.025","0.005","23.69","0.005","90","","101.133","0.005","90","","12356","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 Fe2 N16 O2 -","- C62 H70 Fe2 N16 O2 -","- C496 H560 Fe16 N128 O16 -","8","1","","Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J.","High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes","ACS Catalysis","2012","2","8","1760","","10.1021/cs300358m","","","1.54185","CuKα","","0.0795","0.0696","","","0.2117","0.2207","","","","","","1.054","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506588","15.7139","0.0007","10.318","0.0005","17.0218","0.0008","90","","98.758","0.001","90","","2727.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Fe N9 -","- C29 H29 Fe N9 -","- C116 H116 Fe4 N36 -","4","1","","Yu, Renyuan Pony; Darmon, Jonathan M.; Hoyt, Jordan M.; Margulieux, Grant W.; Turner, Zoë R.; Chirik, Paul J.","High-Activity Iron Catalysts for the Hydrogenation of Hindered, Unfunctionalized Alkenes","ACS Catalysis","2012","2","8","1760","","10.1021/cs300358m","","","0.71073","MoKα","","0.0631","0.0361","","","0.0808","0.094","","","","","","0.836","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506589","7.313","0.0002","8.8103","0.0003","42.6642","0.0012","90","","90","","90","","2748.84","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H50 O12 -","- C25 H49.96 O11.99 -","- C100 H199.84 O47.96 -","4","1","","Tao, Houchao; Fu, Yu; Thompson, Aaron; Lee, Sung Chang; Mahoney, Nicholas; Stevens, Raymond C.; Zhang, Qinghai","Synthesis and properties of dodecyl trehaloside detergents for membrane protein studies.","Langmuir : the ACS journal of surfaces and colloids","2012","28","30","11173","11181","10.1021/la3020404","","","1.54184","CuKα","","0.044","0.0438","","","0.1236","0.1239","","","","","","1.047","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506590","22.433","0.003","4.9502","0.0005","16.387","0.002","90","","111.351","0.004","90","","1694.8","0.4","90","","90","","","","","","","","local laboratory","4","P 1 21/c 1","-P 2ybc","14","","2,3,2',3',2''',3''',2'''',3'''',2'''''',3'''''',2''''''',3'''''''-Hexa(ethylenedioxy)-3'',4'''''-(2-ethylhexyl)- 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2''''''':5'''''''-octithiophene","","- C36 H46 O4 S4 -","- C36 H46 O4 S4 -","- C72 H92 O8 S8 -","2","0.5","","de Silva, K. M. Nalin; Hwang, Euiyong; Serem, Wilson K.; Fronczek, Frank R.; Garno, Jayne C.; Nesterov, Evgueni E.","Long-chain 3,4-ethylenedioxythiophene/thiophene oligomers and semiconducting thin films prepared by their electropolymerization.","ACS applied materials & interfaces","2012","4","10","5430","5441","10.1021/am301349g","","","0.71073","MoKα","","0.091","0.056","","","0.145","0.164","","","","","","1.039","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506591","9.831","0.011","9.831","","2.872","0.006","90","","90","","90","","277.6","0.7","25","","25","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ag1.15 Mn8 O16 -","- Ag1.15 Mn8 O16 -","- Ag1.15 Mn8 O16 -","1","0.0625","","Takeuchi, Kenneth J.; Yau, Shali Z.; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Esther S.","Synthetic control of composition and crystallite size of silver hollandite, Ag(x)Mn8O16: impact on electrochemistry.","ACS applied materials & interfaces","2012","4","10","5547","5554","10.1021/am301443g","powder diffraction","x-ray","1.5406","","","","","","","","","0.13283","","1.39","","","","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506592","9.756","0.01","9.756","","2.858","0.006","90","","90","","90","","272","0.6","25","","25","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ag1.56 Mn8 O16 -","- Ag1.56 Mn8 O16 -","- Ag1.56 Mn8 O16 -","1","0.0625","","Takeuchi, Kenneth J.; Yau, Shali Z.; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Esther S.","Synthetic control of composition and crystallite size of silver hollandite, Ag(x)Mn8O16: impact on electrochemistry.","ACS applied materials & interfaces","2012","4","10","5547","5554","10.1021/am301443g","powder diffraction","x-ray","1.5406","","","","","","","","","0.15335","","1.3","","","","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506597","11.268","0.0008","6.5498","0.0004","11.2646","0.0007","90","","95.933","0.004","90","","826.91","0.09","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-acetoxybenzoic acid","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Arputharaj, David Stephen; Hathwar, Venkatesha R.; Guru Row, Tayur N.; Kumaradhas, Poomani","Topological Electron Density Analysis and Electrostatic Properties of Aspirin: An Experimental and Theoretical Study","Crystal Growth & Design","2012","12","9","4357","","10.1021/cg300269n","","x-ray","0.71073","MoKα","","0.0761","0.0331","","","","0.0525","","","","","","1.896","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506598","7.745","0.003","16.768","0.007","21.273","0.009","92.582","0.007","91.232","0.008","90.657","0.008","2759","2","386","2","386","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 Eu4 O35 -","- C54 H46 Eu4 O35 -","- C108 H92 Eu8 O70 -","2","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.1257","0.0965","","","0.1579","0.1724","","","","","","1.043","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506599","7.7172","0.0006","16.6793","0.0013","21.1778","0.0018","92.602","0.007","91.406","0.006","90.705","0.006","2722.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 Dy4 O35 -","- C54 H46 Dy4 O35 -","- C108 H92 Dy8 O70 -","2","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.1383","0.0877","","","0.2242","0.2457","","","","","","0.985","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506600","7.4137","0.0003","7.1036","0.0003","23.6243","0.0011","90","","95.764","0.005","90","","1237.86","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Eu O8 -","- C10 H8 Eu O8 -","- C40 H32 Eu4 O32 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0671","0.0661","","","0.1812","0.1817","","","","","","1.123","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506601","7.33","0.0002","7.0421","0.0002","23.4314","0.0007","90","","96.144","0.003","90","","1202.55","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Gd O8 -","- C10 H8 Gd O8 -","- C40 H32 Gd4 O32 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0468","0.0462","","","0.1193","0.1196","","","","","","1.062","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506602","7.3327","0.0006","7.0342","0.0004","23.4468","0.0011","90","","96.161","0.005","90","","1202.39","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O8 Tb -","- C10 H8 O8 Tb -","- C40 H32 O32 Tb4 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0695","0.068","","","0.1605","0.1613","","","","","","1.079","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506603","7.3567","0.0002","7.0497","0.0002","23.4803","0.0005","90","","96.025","0.002","90","","1211.02","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Dy O8 -","- C10 H6 Dy O8 -","- C40 H24 Dy4 O32 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0685","0.0636","","","0.1603","0.1624","","","","","","1.026","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506604","7.3194","0.0006","7.0328","0.0006","23.502","0.002","90","","97.081","0.011","90","","1200.56","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ho O8 -","- C10 H8 Ho O8 -","- C40 H32 Ho4 O32 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0488","0.0452","","","0.1011","0.1026","","","","","","1.093","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506609","5.9537","0.0003","8.3967","0.0005","22.3706","0.0011","90","","90","","90","","1118.34","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ethanolammonium 3-chloromandelate","","","- C10 H14 Cl N O4 -","- C10 H14 Cl N O4 -","- C40 H56 Cl4 N4 O16 -","4","1","","Taratin, N. V.; Lorenz, H.; Kotelnikova, E. N.; Glikin, A. E.; Galland, A.; Dupray, V.; Coquerel, G.; Seidel-Morgenstern, A.","Mixed Crystals in Chiral Organic Systems: A Case Study on (R)- and (S)-Ethanolammonium 3-Chloromandelate","Crystal Growth & Design","2012","12","12","5882","","10.1021/cg3003405","","","0.71073","MoKα","","0.044","0.0378","","","0.0922","0.0948","","","","","","1.031","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506623","7.4818","0.0002","18.7663","0.0007","7.8072","0.0003","90","","114.012","0.0017","90","","1001.31","0.06","295","","295","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H7 N5 -","- C10 H7 N5 -","- C40 H28 N20 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0713","0.0441","","","0.1037","0.119","","","","","","1.033","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506624","11.379","0.0004","7.4032","0.0003","12.9658","0.0005","90","","115.389","0.002","90","","986.76","0.07","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N3 O -","- C11 H7 N3 O -","- C44 H28 N12 O4 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0748","0.0519","","","0.1131","0.1281","","","","","","1.033","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506625","10.7645","0.0004","6.4725","0.0002","13.9718","0.0005","90","","91.0251","0.0015","90","","973.3","0.06","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N3 O2 -","- C11 H7 N3 O2 -","- C44 H28 N12 O8 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0656","0.0412","","","0.1039","0.1149","","","","","","1.05","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506626","11.247","0.0002","7.8725","0.0002","14.2596","0.0004","90","","104.946","0.0012","90","","1219.86","0.05","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N3 O -","- C15 H9 N3 O -","- C60 H36 N12 O4 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0681","0.0435","","","0.1085","0.1226","","","","","","1.046","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506627","7.7288","0.0002","8.6397","0.0003","9.7439","0.0003","74.0993","0.0012","81.4628","0.0013","63.8558","0.0015","561.44","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 N4 O -","- C13 H8 N4 O -","- C26 H16 N8 O2 -","2","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0603","0.0417","","","0.0971","0.1081","","","","","","1.053","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506628","7.7738","0.0002","10.0484","0.0002","12.6865","0.0002","76.404","0.001","76.3821","0.001","85.9155","0.0009","936.02","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C46 H32 N8 O4 -","2","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0623","0.0454","","","0.1148","0.129","","","","","","1.02","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506629","7.8021","0.0002","19.8646","0.0006","11.9355","0.0004","90","","105.793","0.0012","90","","1780","0.09","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 N5 O4 -","- C18 H15 N5 O4 -","- C72 H60 N20 O16 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.1022","0.0501","","","0.1165","0.1426","","","","","","1.01","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506630","8.0466","0.0003","10.2842","0.0004","11.7394","0.0006","100.304","0.0017","94.3235","0.0015","109.7","0.002","890.15","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl N4 O -","- C22 H13 Cl N4 O -","- C44 H26 Cl2 N8 O2 -","2","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0867","0.0687","","","0.1816","0.1972","","","","","","1.044","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506631","24.618","0.003","3.8451","0.0006","12.3857","0.0016","90","","91.33","0.003","90","","1172.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.0711","0.05","","","0.1327","0.1441","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506632","18.7827","0.0003","6.1948","0.0001","15.6531","0.0003","90","","111.743","0.001","90","","1691.74","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.0522","0.0397","","","0.1114","0.125","","","","","","1.141","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506633","23.3532","0.0005","5.58131","0.00012","13.0587","0.0003","90","","93.4884","0.0012","90","","1698.94","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N5 O3 S -","- C16 H17 N5 O3 S -","- C64 H68 N20 O12 S4 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.0924","0.0609","","","0.1835","0.2083","","","","","","1.146","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506634","11.8523","0.0011","5.7183","0.0005","12.3445","0.0012","90","","101.5","0.007","90","","819.85","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C36 H32 N8 O8 -","2","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71073","MoKα","","0.0451","0.0374","","","0.0874","0.0921","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506635","4.476","0.0005","13.4666","0.0014","26.426","0.003","90","","93.712","0.007","90","","1589.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N2 O3 -","- C19 H15 N2 O3 -","- C76 H60 N8 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71073","MoKα","","0.0766","0.0545","","","0.1459","0.1775","","","","","","1.14","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506636","7.8579","0.0007","10.917","0.0009","32.253","0.003","90","","90","","90","","2766.8","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.079","0.0516","","","0.109","0.1199","","","","","","1.056","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506637","19.7104","0.0004","10.8346","0.0002","24.3804","0.0004","90","","90","","90","","5206.54","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H28 N4 O3 -","- C29 H28 N4 O3 -","- C232 H224 N32 O24 -","8","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.1263","0.0584","","","0.147","0.1872","","","","","","1.045","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506638","9.0694","0.0006","17.9222","0.0017","14.5011","0.0013","90","","90","","90","","2357.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.0433","0.0399","","","0.0957","0.0978","","","","","","1.126","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506639","5.8687","0.0003","4.7866","0.0002","41.133","0.002","90","","92.208","0.003","90","","1154.61","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-salicylidene-4-carboxyaniline","(E)-4-((2-hydroxybenzylidene)amino)benzoic acid","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.0679","0.0483","","","0.1193","0.1339","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506640","50.8968","0.0012","4.91775","0.00012","12.5961","0.0003","90","","90.5364","0.0013","90","","3152.64","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N2 O3 -","- C19 H15 N2 O3 -","- C152 H120 N16 O24 -","8","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.0811","0.0588","","","0.2032","0.2161","","","","","","1.145","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506641","15.5992","0.0014","8.7313","0.0007","18.0848","0.0015","90","","110.397","0.004","90","","2308.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.0748","0.0549","","","0.1159","0.1252","","","","","","1.151","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506644","6.1468","0.0015","9.385","0.002","12.214","0.003","74.322","0.004","89.801","0.004","82.231","0.004","671.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I4 S -","- C24 H8 F8 I4 S -","- C24 H8 F8 I4 S -","1","0.5","","Gao, Hai Yue; Zhao, Xiao Ran; Wang, Hui; Pang, Xue; Jin, Wei Jun","Phosphorescent Cocrystals Assembled by 1,4-Diiodotetrafluorobenzene and Fluorene and Its Heterocyclic Analogues Based on C‒I···π Halogen Bonding","Crystal Growth & Design","2012","12","9","4377","","10.1021/cg300515a","","","0.71073","MoKα","","0.0577","0.0503","","","0.1361","0.1437","","","","","","1.042","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506645","5.4259","0.0011","5.7691","0.0011","13.919","0.003","90.582","0.003","101.061","0.003","101.593","0.003","418.35","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O -","- C18 H8 F4 I2 O -","- C18 H8 F4 I2 O -","1","0.5","","Gao, Hai Yue; Zhao, Xiao Ran; Wang, Hui; Pang, Xue; Jin, Wei Jun","Phosphorescent Cocrystals Assembled by 1,4-Diiodotetrafluorobenzene and Fluorene and Its Heterocyclic Analogues Based on C‒I···π Halogen Bonding","Crystal Growth & Design","2012","12","9","4377","","10.1021/cg300515a","","","0.71073","MoKα","","0.0575","0.0535","","","0.1328","0.1367","","","","","","1.058","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506646","8.587","0.0007","7.1141","0.0006","14.7861","0.0012","90","","99.209","0.001","90","","891.62","0.13","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H10 F4 I2 -","- C19 H10 F4 I2 -","- C38 H20 F8 I4 -","2","0.5","","Gao, Hai Yue; Zhao, Xiao Ran; Wang, Hui; Pang, Xue; Jin, Wei Jun","Phosphorescent Cocrystals Assembled by 1,4-Diiodotetrafluorobenzene and Fluorene and Its Heterocyclic Analogues Based on C‒I···π Halogen Bonding","Crystal Growth & Design","2012","12","9","4377","","10.1021/cg300515a","","","0.71073","MoKα","","0.0227","0.0208","","","0.0488","0.051","","","","","","1.111","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506648","9.9706","0.0011","10.2954","0.0012","11.2168","0.0013","71.308","0.009","87.893","0.009","63.152","0.008","965.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Br2 Hg N3 O2 -","- C16 H18 Br2 Hg N3 O2 -","- C32 H36 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Isostructural Mercury Coordination Polymers with Amide Junction: Interplay of Coordination and π‒π Stacking","Crystal Growth & Design","2012","12","10","4798","","10.1021/cg300587b","","","0.71073","MoKα","","0.0439","0.036","","","0.0958","0.0987","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506649","10.1703","0.001","14.5624","0.0019","10.7222","0.001","90","","105.41","0.007","90","","1530.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N4 O4 S2 -","- C30 H34 N4 O4 S2 -","- C60 H68 N8 O8 S4 -","2","0.5","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Isostructural Mercury Coordination Polymers with Amide Junction: Interplay of Coordination and π‒π Stacking","Crystal Growth & Design","2012","12","10","4798","","10.1021/cg300587b","","","0.71073","MoKα","","0.0901","0.0624","","","0.1298","0.14","","","","","","1.109","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506664","20.661","0.018","18.301","0.016","26.84","0.02","90","","95.344","0.016","90","","10105","15","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H92 Cd13 N2 Ni8 O2 S36 -","- C40 H88 Cd13 N2 Ni8 O2 S36 -","- C160 H352 Cd52 N8 Ni32 O8 S144 -","4","0.5","","Jiang, Hao; Sheng, Tianlu; Wang, Xin; Hu, Shengmin; Zhu, Qilong; Fu, Ruibiao; Yu, Peng; Wu, Xintao","Self-Assembly of [M13Ni8S8(edt)14]2‒(M = Cd, Zn): A New Type of Henicosnuclear Heterometallic Clusters Based on Two Primary Building Units","Crystal Growth & Design","2012","12","9","4295","","10.1021/cg300596d","","","0.71073","MoKα","","0.0569","0.0505","","","0.1283","0.1331","","","","","","1.114","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506665","20.324","0.015","17.862","0.013","26.416","0.019","90","","95.885","0.017","90","","9539","12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H72 N2 Ni8 S36 Zn13 -","- C41 H72 N2 Ni8 S36 Zn13 -","- C164 H288 N8 Ni32 S144 Zn52 -","4","0.5","","Jiang, Hao; Sheng, Tianlu; Wang, Xin; Hu, Shengmin; Zhu, Qilong; Fu, Ruibiao; Yu, Peng; Wu, Xintao","Self-Assembly of [M13Ni8S8(edt)14]2‒(M = Cd, Zn): A New Type of Henicosnuclear Heterometallic Clusters Based on Two Primary Building Units","Crystal Growth & Design","2012","12","9","4295","","10.1021/cg300596d","","","0.71073","MoKα","","0.1138","0.0985","","","0.25","0.2661","","","","","","0.97","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506666","24.2895","0.0004","15.9697","0.0003","21.9356","0.0005","90","0.002","99.271","0.002","90","0.002","8397.6","0.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Ce O15.5 Si -","- C28 H17 Ce O9 Si -","- C224 H136 Ce8 O72 Si8 -","8","1","","Gotthardt, Jan M.; White, Keith F.; Abrahams, Brendan F.; Ritchie, Chris; Boskovic, Colette","Fluorite Topology in Lanthanoid Coordination Polymers with Di- and Trimetallic Building Blocks","Crystal Growth & Design","2012","12","9","4425","","10.1021/cg3006103","","","1.54184","CuKα","","0.0379","0.0334","","","0.085","0.087","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506667","11.919","0.005","14.01","0.005","14.792","0.005","118.055","0.005","105.125","0.005","96.417","0.005","2023","1.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H66 Eu3 N6 O25 Si2 -","- C66.5 H56.9 Eu3 N4.5 O24.5 Si2 -","- C66.5 H56.9 Eu3 N4.5 O24.5 Si2 -","1","0.5","","Gotthardt, Jan M.; White, Keith F.; Abrahams, Brendan F.; Ritchie, Chris; Boskovic, Colette","Fluorite Topology in Lanthanoid Coordination Polymers with Di- and Trimetallic Building Blocks","Crystal Growth & Design","2012","12","9","4425","","10.1021/cg3006103","","","0.71073","MoKα","","0.0822","0.0641","","","0.2104","0.218","","","","","","1.269","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506668","12.6184","0.0005","14.0225","0.0007","14.1886","0.0006","60.847","0.005","70.791","0.004","76.205","0.004","2061.13","0.19","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 Eu N3 O15 Si -","- C37 H37 Eu N3 O14.801 Si -","- C74 H74 Eu2 N6 O29.602 Si2 -","2","1","","Gotthardt, Jan M.; White, Keith F.; Abrahams, Brendan F.; Ritchie, Chris; Boskovic, Colette","Fluorite Topology in Lanthanoid Coordination Polymers with Di- and Trimetallic Building Blocks","Crystal Growth & Design","2012","12","9","4425","","10.1021/cg3006103","","","1.54184","CuKα","","0.0441","0.0402","","","0.1086","0.1128","","","","","","1.062","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506669","10.1876","0.0004","7.0215","0.0003","19.7798","0.0007","90","","96.999","0.004","90","","1404.35","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cd N O7 -","- C14 H13 Cd N O7 -","- C56 H52 Cd4 N4 O28 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0427","0.0363","","","0.0888","0.0929","","","","","","1.057","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506670","17.459","0.002","12.6894","0.0018","10.8705","0.0011","90","","90","","90","","2408.3","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H23 Cd N5 O6 -","- C23 H23 Cd N5 O6 -","- C92 H92 Cd4 N20 O24 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0857","0.0523","","","0.0632","0.0687","","","","","","1.001","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506671","15.1589","0.0009","8.7394","0.0006","23.8358","0.0017","90","","120.386","0.005","90","","2724","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cd N5 O8 -","- C27 H27 Cd N5 O8 -","- C108 H108 Cd4 N20 O32 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0637","0.0524","","","0.119","0.1257","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506672","9.0309","0.001","16.6234","0.0018","10.71","0.0012","90","","99.273","0.011","90","","1586.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N2 O5 Zn -","- C18 H11 N2 O5 Zn -","- C72 H44 N8 O20 Zn4 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0587","0.0454","","","0.1195","0.1249","","","","","","1.107","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506673","8.0033","0.0005","20.0585","0.0011","14.5833","0.0009","90","","101.315","0.007","90","","2295.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O5 Zn -","- C26 H21 N3 O5 Zn -","- C104 H84 N12 O20 Zn4 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0413","0.0323","","","0.0751","0.079","","","","","","1.026","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506674","10.5614","0.0012","12.7686","0.0015","14.1557","0.0016","91.971","0.001","110.104","0.001","102.555","0.001","1737.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Co N6 O24 Sm2 -","- C24 H26 Co N6 O24 Sm2 -","- C48 H52 Co2 N12 O48 Sm4 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.0594","0.0422","","","0.0917","0.102","","","","","","1.049","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506675","10.589","0.0013","12.8173","0.0016","14.261","0.0018","92.008","0.002","110.531","0.001","102.872","0.002","1753.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Fe N6 O24 Sm2 -","- C24 H26 Fe N6 O24 Sm2 -","- C48 H52 Fe2 N12 O48 Sm4 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.0624","0.0432","","","0.0915","0.1034","","","","","","1.025","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506676","10.5406","0.0009","12.7755","0.0011","14.148","0.0013","91.801","0.001","110.012","0.001","102.861","0.001","1733.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Co Eu2 N6 O24 -","- C24 H26 Co Eu2 N6 O24 -","- C48 H52 Co2 Eu4 N12 O48 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.1829","0.1333","","","0.2754","0.3121","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506677","10.5283","0.0016","12.771","0.002","14.211","0.002","91.875","0.002","110.438","0.002","103.068","0.002","1731","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Eu2 Fe N6 O24 -","- C24 H26 Eu2 Fe N6 O24 -","- C48 H52 Eu4 Fe2 N12 O48 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.236","0.1722","","","0.3379","0.3777","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506678","10.5121","0.0009","12.7592","0.0011","14.1244","0.0012","91.699","0.001","109.952","0.001","102.984","0.001","1723.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Co Gd2 N6 O24 -","- C24 H26 Co Gd2 N6 O24 -","- C48 H52 Co2 Gd4 N12 O48 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.1216","0.0915","","","0.2195","0.2655","","","","","","1.093","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506679","8.47","0.0006","23.5866","0.0017","15.4231","0.0009","90","","117.274","0.003","90","","2738.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Ag3 N6 O15 Sm2 -","- C22 H13 Ag3 N6 O15 Sm2 -","- C88 H52 Ag12 N24 O60 Sm8 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.1414","0.1122","","","0.2376","0.2607","","","","","","1.094","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506680","8.4073","0.0004","23.5633","0.0012","15.3911","0.0006","90","","117.149","0.002","90","","2713.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Ag3 Gd2 N6 O15 -","- C22 H13 Ag3 Gd2 N6 O15 -","- C88 H52 Ag12 Gd8 N24 O60 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.118","0.1072","","","0.2187","0.2251","","","","","","1.09","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506681","8.367","0.002","23.54","0.012","15.388","0.01","90","","117.11","0.05","90","","2698","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Ag3 N6 O15 Tb2 -","- C22 H13 Ag3 N6 O15 Tb2 -","- C88 H52 Ag12 N24 O60 Tb8 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.0505","0.0364","","","0.0789","0.0842","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506682","8.4705","0.001","23.577","0.003","15.422","0.0014","90","","117.257","0.005","90","","2737.9","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Ag3 Dy2 N6 O15 -","- C22 H13 Ag3 Dy2 N6 O15 -","- C88 H52 Ag12 Dy8 N24 O60 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.1395","0.1127","","","0.2386","0.2578","","","","","","1.084","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506683","16.7762","0.0007","17.0105","0.0007","18.3171","0.0008","73.789","0.001","65.33","0.001","72.134","0.001","4451.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H147 N12 O18 -","- C75 H147 N12 O18 -","- C150 H294 N24 O36 -","2","1","","Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.","Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors","Crystal Growth & Design","2012","12","9","4457","","10.1021/cg3006184","","","0.71073","MoKα","","0.1564","0.0777","","","0.2388","0.2812","","","","","","0.987","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506684","12.8302","0.001","13.7334","0.0011","22.2613","0.0018","77.353","0.002","74.65","0.002","74.333","0.002","3595.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H122 N14 O19 -","- C51 H122 N14 O19 -","- C102 H244 N28 O38 -","2","1","","Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.","Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors","Crystal Growth & Design","2012","12","9","4457","","10.1021/cg3006184","","","0.71073","MoKα","","0.1724","0.0761","","","0.2098","0.2478","","","","","","0.954","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506685","29.0855","0.001","16.3428","0.0007","13.5836","0.0006","90","","97.575","0.002","90","","6400.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 N5 O6 -","- C26 H49 N5 O6 -","- C208 H392 N40 O48 -","8","2","","Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.","Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors","Crystal Growth & Design","2012","12","9","4457","","10.1021/cg3006184","","","1.54178","CuKα","","0.1067","0.0717","","","0.2372","0.2668","","","","","","1.064","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506686","21.4165","0.0003","15.9064","0.0003","27.0558","0.0005","90","","109.177","0.001","90","","8705.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H141 N19 O20 -","- C66 H141 N19 O20 -","- C264 H564 N76 O80 -","4","0.5","","Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.","Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors","Crystal Growth & Design","2012","12","9","4457","","10.1021/cg3006184","","","1.54178","CuKα","","0.0913","0.0736","","","0.2291","0.2449","","","","","","1.106","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506688","12.6277","0.001","17.3845","0.0011","16.305","0.002","90","","115.87","0.009","90","","3220.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H27 Ge12 N5 O27 -","- C6 H27 Ge12 N5 O27 -","- C24 H108 Ge48 N20 O108 -","4","1","","Inge, A. Ken; Huang, Shiliang; Chen, Hong; Moraga, Francisca; Sun, Junliang; Zou, Xiaodong","The Structure of a Complex Open-Framework Germanate Obtained by Combining Powder Charge-Flipping and Simulated Annealing","Crystal Growth & Design","2012","12","10","4853","","10.1021/cg300647s","","","0.6889","synchrotron","","0.0965","0.078","","","0.201","0.2201","","","","","","0.998","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506689","7.3","0.003","20.927","0.01","7.548","0.0007","90","","91.396","0.016","90","","1152.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Mn N2 O5 -","- C9 H10 Mn N2 O5 -","- C36 H40 Mn4 N8 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","x-ray","0.71073","MoKα","","0.0854","0.0566","","","0.0943","0.1025","","","","","","1.11","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506690","7.474","0.0015","21.371","0.004","7.571","0.0015","90","","90.12","0.03","90","","1209.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Mn N2 O5 -","- C10 H12 Mn N2 O5 -","- C40 H48 Mn4 N8 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","","0.738","","","0.0653","0.0583","","","0.1622","0.1702","","","","","","1.085","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506691","7.257","0.0003","25.9657","0.001","7.5506","0.0003","90","","90","","90","","1422.78","0.1","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H12 Mn N2 O5 -","- C12 H12 Mn N2 O5 -","- C48 H48 Mn4 N8 O20 -","4","0.5","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","x-ray","1.54184","CuKα","","0.0863","0.0793","","","0.2326","0.2403","","","","","","1.142","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506692","37.055","0.002","7.3447","0.0006","7.3447","0.0005","90","","90","","90","","1998.9","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H16 Mn N4 O5 -","- C19 H16 Mn N4 O5 -","- C76 H64 Mn4 N16 O20 -","4","0.5","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","x-ray","0.71073","MoKα","","0.1068","0.0797","","","0.2268","0.2418","","","","","","1.125","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506693","12.947","0.003","13.527","0.003","14.019","0.003","92.85","0.03","114.3","0.03","112.22","0.03","2009.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Mn2 N8 O12 -","- C34 H36 Mn2 N8 O12 -","- C68 H72 Mn4 N16 O24 -","2","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","","0.738","","","0.1291","0.1072","","","0.2967","0.3212","","","","","","1.258","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506694","5.939","0.0012","10.612","0.002","16.723","0.003","80.24","0.03","89.46","0.03","84.87","0.03","1034.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Mn N4 O7 -","- C20 H22 Mn N4 O7 -","- C40 H44 Mn2 N8 O14 -","2","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","","0.738","","","0.0683","0.067","","","0.184","0.1855","","","","","","1.047","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506695","10.638","0.002","10.699","0.002","11.374","0.002","83.643","0.004","81.674","0.003","87.312","0.004","1272.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 Cd N4 O14 -","- C16 H18 Cd N4 O14 -","- C32 H36 Cd2 N8 O28 -","2","1","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.0482","0.0415","","","0.1218","0.1299","","","","","","1.075","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506696","10.7023","0.0014","14.2913","0.0019","16.251","0.002","86.659","0.002","85.857","0.003","86.779","0.002","2471.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H58 Cd2 N8 O27 -","- C32 H36 Cd2 N8 O27 -","- C64 H72 Cd4 N16 O54 -","2","1","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.0711","0.0517","","","0.1257","0.1493","","","","","","1.094","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506697","22.968","0.004","20.669","0.004","10.6044","0.0018","90","","90","","90","","5034.2","1.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H52 Cd4 N8 O26 -","- C32 H27 Cd4 N8 O26 -","- C128 H108 Cd16 N32 O104 -","4","0.5","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.1349","0.0528","","","0.1197","0.1656","","","","","","1.01","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506698","15.588","0.003","15.588","0.003","35.69","0.01","90","","90","","90","","8672","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H92 Cd4 N16 O26 -","- C72 H72 Cd4 N16 O26 -","- C288 H288 Cd16 N64 O104 -","4","0.25","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.1935","0.0781","","","0.177","0.2283","","","","","","1.101","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506699","16.06","0.002","15.2142","0.0019","17.819","0.002","90","","100.199","0.002","90","","4285.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cd2 N8 O20 -","- C32 H40 Cd2 N8 O20 -","- C128 H160 Cd8 N32 O80 -","4","1","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.0604","0.0376","","","0.0795","0.0888","","","","","","1.079","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506700","8.342","0.002","10.217","0.003","11.334","0.003","90","","91.735","0.005","90","","965.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd N4 O8 -","- C16 H18 Cd N4 O8 -","- C32 H36 Cd2 N8 O16 -","2","0.5","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.039","0.0279","","","0.0663","0.0717","","","","","","1.052","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506701","5.0174","0.0005","8.8907","0.0009","12.7562","0.0014","106.205","0.004","91.404","0.005","90.153","0.005","546.23","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C22 H32 N4 O4 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","Crystal Design Approaches for the Synthesis of Paracetamol Co-Crystals","Crystal Growth & Design","2012","12","10","4870","","10.1021/cg300689m","","","0.71073","MoKα","","0.0502","0.0412","","0.0655","0.0456","0.0425","","","","","","1.0723","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506702","9.0546","0.0018","10.624","0.002","14.316","0.003","82.97","0.03","89.69","0.03","73.85","0.03","1312.3","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N4 O5 -","- C29 H32 N4 O5 -","- C58 H64 N8 O10 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","Crystal Design Approaches for the Synthesis of Paracetamol Co-Crystals","Crystal Growth & Design","2012","12","10","4870","","10.1021/cg300689m","","","0.71073","MoKα","","0.0474","0.0419","","0.0553","0.0434","0.0434","","","","","","1.1173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506703","8.9707","0.0004","12.8632","0.0006","16.8305","0.0007","106.068","0.002","95.273","0.002","95.138","0.002","1844.87","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","2","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","Crystal Design Approaches for the Synthesis of Paracetamol Co-Crystals","Crystal Growth & Design","2012","12","10","4870","","10.1021/cg300689m","","","0.71073","MoKα","","0.1062","0.0544","","0.1348","0.0568","0.0568","","","","","","1.1024","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506704","21.936","0.001","16.0251","0.0007","7.6037","0.0003","90","","90","","90","","2672.9","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H15 Ag6 N3 O9 -","- C24 H15 Ag6 N3 O9 -","- C96 H60 Ag24 N12 O36 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0333","0.0283","","","0.0632","0.0658","","","","","","1.037","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506705","16.9178","0.0006","6.5132","0.0002","13.6048","0.0005","90","","92.956","0.001","90","","1497.1","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Ag3 N O3 -","- C16 H10 Ag3 N O3 -","- C64 H40 Ag12 N4 O12 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0239","0.0226","","","0.0551","0.0562","","","","","","1.034","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506706","8.5801","0.0005","14.8942","0.0009","16.6447","0.001","67.434","0.001","85.225","0.001","82.417","0.001","1945.8","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 Ag5 B F4 O2 S2 -","- C36 H32 Ag5 B F4 O2 S2 -","- C72 H64 Ag10 B2 F8 O4 S4 -","2","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0394","0.03","","","0.0836","0.1002","","","","","","1.084","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506707","8.545","0.0003","26.8795","0.001","17.5971","0.0007","90","","103.506","0.001","90","","3930","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Ag5 Cl O6 S2 -","- C36 H32 Ag5 Cl O6 S2 -","- C144 H128 Ag20 Cl4 O24 S8 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0501","0.0349","","","0.0887","0.1023","","","","","","1.061","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506708","8.5053","0.0006","27.4572","0.0019","17.8568","0.0012","90","","103.08","0.001","90","","4061.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Ag5 F6 O2 P S2 -","- C36 H32 Ag5 F6 O2 P S2 -","- C144 H128 Ag20 F24 O8 P4 S8 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0529","0.0422","","","0.1091","0.12","","","","","","1.053","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506709","8.4617","0.0012","27.714","0.004","17.932","0.002","90","","102.692","0.003","90","","4102.4","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Ag5 As F6 O2 S2 -","- C36 H32 Ag5 As F6 O2 S2 -","- C144 H128 Ag20 As4 F24 O8 S8 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.1051","0.0503","","","0.1099","0.133","","","","","","1.005","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506710","8.4128","0.0005","16.7218","0.0011","16.7461","0.0011","114.113","0.001","99.079","0.001","94.424","0.001","2096.9","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H32 Ag5 F6 N0 O2 S2 Sb -","- C36 H17 Ag5 F6 O2 S2 Sb -","- C72 H34 Ag10 F12 O4 S4 Sb2 -","2","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0873","0.0675","","","0.1498","0.1614","","","","","","1.092","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506711","14.146","0.0013","16.1829","0.0015","23.228","0.002","90.745","0.002","95.358","0.002","105.886","0.002","5087.9","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Ag14 F30 O28 S8 -","- C68 H68 Ag14 F30 O28 S8 -","- C136 H136 Ag28 F60 O56 S16 -","2","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0568","0.0504","","","0.1319","0.1348","","","","","","1.14","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506712","35.168","0.007","14.39","0.003","19.492","0.004","90","","109.192","0.004","90","","9316","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Ag6.5 F3 N0.5 O6 S2.5 -","- C44 H31 Ag6.5 F3 N0.5 O6 S2.5 -","- C352 H248 Ag52 F24 N4 O48 S20 -","8","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0502","0.034","","","0.0878","0.108","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506713","10.0715","0.0004","14.8192","0.0007","11.8886","0.0006","87.715","0.004","90.239","0.003","89.911","0.003","1772.96","0.14","295","1","295","1","","","","","","","see text","6","P 1","P 1","1","","2-fluorobenzoylcarvacryl thiourea, Form IA","","- C18 H19 F N2 O2 S -","- C18 H19 F N2 O2 S -","- C72 H76 F4 N8 O8 S4 -","4","4","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0849","0.0475","","","0.0781","0.0853","","","","","","0.853","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506714","10.0148","0.0018","14.78","0.003","11.601","0.002","90","","90.796","0.003","90","","1717","0.6","90","1","90","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","2-fluoro benzoyl carvacrol thiourea, FormIB","","- C18 H19 F N2 O2 S -","- C18 H19 F N2 O2 S -","- C72 H76 F4 N8 O8 S4 -","4","2","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0717","0.0465","","","0.075","0.084","","","","","","0.993","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506715","23.5271","0.0012","10.7467","0.0006","13.5653","0.0009","90","","97.631","0.005","90","","3399.5","0.3","100","1","100","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","2-fluorobenzoylcarvacryl thiourea, Form II","","- C18 H18 F N2 O2 S -","- C18 H18 F N2 O2 S -","- C144 H144 F8 N16 O16 S8 -","8","1","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0418","0.0331","","","0.0856","0.0903","","","","","","1.064","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506716","23.42","0.0019","10.788","0.0009","13.5978","0.0012","90","","95.991","0.003","90","","3416.8","0.5","100","1","100","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","2,6-difluorobenzoylcarvacryl thiourea","","- C18 H18 F2 N2 O2 S -","- C18 H18 F2 N2 O2 S -","- C144 H144 F16 N16 O16 S8 -","8","1","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0468","0.0422","","","0.1093","0.1121","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506717","23.4872","0.0011","10.7385","0.0005","13.6376","0.0008","90","","98.421","0.005","90","","3402.6","0.3","110","1","110","1","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","benzoylcarvacryl thiourea","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C144 H160 N16 O16 S8 -","8","1","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0664","0.0449","","","0.0926","0.1031","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506718","11.41571","0.00009","10.98858","0.0001","8.19298","0.00005","86.5493","0.0004","99.3077","0.0004","122.358","0.0004","856.303","0.012","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N4 O10 -","- C34 H44 N4 O10 -","- C34 H44 N4 O10 -","1","0.5","","Prohens, Rafel; Portell, Anna; Alcob Xavier","Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound","Crystal Growth & Design","2012","12","9","4548","","10.1021/cg300727r","powder diffraction","","1.54175","CuKα","","","","","","","","","3.5913","","","","","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506719","7.048","0.00006","9.32696","0.00015","14.50037","0.00019","76.7937","0.0009","81.7078","0.0007","77.438","0.0006","901.29","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N4 O12 -","- C34 H48 N4 O12 -","- C34 H48 N4 O12 -","1","0.5","","Prohens, Rafel; Portell, Anna; Alcob Xavier","Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound","Crystal Growth & Design","2012","12","9","4548","","10.1021/cg300727r","powder diffraction","","1.54175","CuKα","","","","","","","","","3.7491","","","","","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506720","16.37064","0.00012","10.0064","0.00006","7.27971","0.00003","90","","98.8213","0.0005","90","","1178.39","0.012","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N4 O6 -","- C22 H32 N4 O6 -","- C44 H64 N8 O12 -","2","0.5","","Prohens, Rafel; Portell, Anna; Alcob Xavier","Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound","Crystal Growth & Design","2012","12","9","4548","","10.1021/cg300727r","powder diffraction","","1.54175","CuKα","","","","","","","","","1.1076","","","","","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506721","12.9142","0.0005","13.4373","0.0002","6.8287","0.00013","90","","96.9271","0.0017","90","","1176.35","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N4 O6 -","- C22 H32 N4 O6 -","- C44 H64 N8 O12 -","2","0.5","","Prohens, Rafel; Portell, Anna; Alcob Xavier","Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound","Crystal Growth & Design","2012","12","9","4548","","10.1021/cg300727r","powder diffraction","","1.54175","CuKα","","","","","","","","","3.3887","","","","","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506722","12.46022","0.00013","8.87772","0.00008","12.73088","0.00012","90","","103.052","0.001","90","","1371.88","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C52 H64 N8 O32 -","4","2","","Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu","Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals","Crystal Growth & Design","2012","12","9","4562","","10.1021/cg300757k","","","1.54178","CuKα","","0.0368","0.0349","","","0.0927","0.0954","","","","","","1.039","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506723","12.6137","0.001","8.9398","0.0007","12.5452","0.0008","90","","103.58","0.007","90","","1375.1","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C52 H64 N8 O32 -","4","1","","Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu","Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals","Crystal Growth & Design","2012","12","9","4562","","10.1021/cg300757k","","","1.54178","CuKα","","0.0638","0.0526","","","0.1242","0.1332","","","","","","1.051","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506724","22.2113","0.0006","6.0673","0.0002","11.2292","0.0003","90","","112.595","0.003","90","","1397.12","0.08","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Oxi34dhBA","","- C13 H16 N2 O7 -","- C13 H16 N2 O7 -","- C52 H64 N8 O28 -","4","1","","Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu","Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals","Crystal Growth & Design","2012","12","9","4562","","10.1021/cg300757k","","","1.5418","CuKα","","0.0516","0.0472","","","0.1214","0.1258","","","","","","1.05","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506725","4.8946","0.0003","15.4818","0.0008","8.7607","0.0005","90","","95.185","0.005","90","","661.15","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C20 H24 N8 O8 S4 -","4","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.7107","MoKα","","0.0382","0.0316","","","0.0865","0.0887","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506726","4.9893","0.0009","7.0628","0.0016","9.7308","0.0016","108.25","0.002","94.716","0.003","96.499","0.003","321.03","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C10 H12 N4 O4 S2 -","2","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.71073","MoKα","","0.0305","0.0297","","","0.0759","0.0765","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506727","7.1874","0.0003","11.4435","0.0005","14.9673","0.0009","90","","90","","90","","1231.05","0.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N O3 S -","- C5 H5 N O3 S -","- C40 H40 N8 O24 S8 -","8","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.7107","MoKα","","0.0442","0.0382","","","0.0965","0.1016","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506728","5.4285","0.0016","15.583","0.005","7.6802","0.0019","90","","108.61","0.03","90","","615.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 N O3 S -","- C5 H5 N O3 S -","- C20 H20 N4 O12 S4 -","4","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.7107","MoKα","","0.0699","0.054","","","0.1652","0.1799","","","","","","1.117","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506729","3.9402","0.0005","35.146","0.004","8.4585","0.001","90","","101.18","0.002","90","","1149.1","0.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O6 -","- C28 H24 N2 O6 -","- C56 H48 N4 O12 -","2","0.5","","Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin","Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin","Crystal Growth & Design","2012","12","12","5897","","10.1021/cg300763t","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506730","7.072","0.013","5.1","0.01","13.13","0.03","90","","109.18","0.05","90","","447.3","1.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H8 N2 -","- C24 H16 N4 -","2","0.5","","Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin","Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin","Crystal Growth & Design","2012","12","12","5897","","10.1021/cg300763t","","","0.71073","MoKα","","0.4041","0.2678","","","0.5825","0.684","","","","","","1.75","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506731","14.0508","0.0007","7.8639","0.0004","15.0117","0.0009","90","","115.486","0.002","90","","1497.3","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","","Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin","Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin","Crystal Growth & Design","2012","12","12","5897","","10.1021/cg300763t","","","0.71073","MoKα","","0.0769","0.0482","","","0.1327","0.1568","","","","","","1.122","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506732","22.275","0.005","9.1138","0.0018","22.091","0.004","90","","105.39","0.03","90","","4323.9","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cd N2 O8 -","- C21 H19 Cd N2 O8 -","- C168 H152 Cd8 N16 O64 -","8","1","","Cao, Li-Hui; Li, Hai-Yang; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","(4,4)-Connected Self-penetrating Pillared-Layered Metal‒Organic Framework Based on a Nanosized Flexible Aromatic Carboxylic Acid Ligand","Crystal Growth & Design","2012","12","9","4299","","10.1021/cg3007712","","","0.71073","MoKα","","0.0878","0.0779","","","0.1607","0.1669","","","","","","1.186","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506733","8.7354","0.0006","9.8973","0.0006","32.784","0.003","90","","90","","90","","2834.4","0.4","295","2","295","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","(Z)-1-(4'-benzamide-2'-butenyl)cytosine","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1132","0.0424","","","0.0626","0.0688","","","","","","0.998","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506734","8.5569","0.0006","10.007","0.0006","33.317","0.004","90","","90","","90","","2852.9","0.4","295","2","295","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","(Z)-1-(4'-benzamide-2'-butenyl)-5-fluorocytosine","","- C15 H15 F N4 O2 -","- C15 H15 F N4 O2 -","- C120 H120 F8 N32 O16 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1087","0.066","","","0.1898","0.2097","","","","","","0.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506735","16.4507","0.0009","8.7236","0.0003","9.9629","0.0004","90","","90.171","0.005","90","","1429.76","0.11","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(4'-(4''-fluoro)benzamide-2'-butenyl)cytosine","","- C15 H15 F N4 O2 -","- C15 H15 F N4 O2 -","- C60 H60 F4 N16 O8 -","4","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.0912","0.044","","","0.1222","0.1341","","","","","","1.004","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506736","14.4861","0.0005","19.8854","0.0007","21.2864","0.0008","90","","90","","90","","6131.8","0.4","295","2","295","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","(Z)-1-[4'-(4''-fluoro)benzamide-2'-butenyl]-5-fluorocytosine hemihydrate","","- C15 H15 F2 N4 O2.5 -","- C15 H15 F2 N4 O2.5 -","- C240 H240 F32 N64 O40 -","16","2","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1115","0.0358","","","0.058","0.0625","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506737","16.2425","0.0008","11.2706","0.0005","15.9376","0.0009","90","","100.63","0.005","90","","2867.5","0.3","295","2","295","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","(Z)-1-(4'-benzamide-2'-butenyl)uracil","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.094","0.0556","","","0.1586","0.1693","","","","","","0.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506738","16.9098","0.0007","11.2132","0.0004","15.4936","0.0007","90","","100.66","0.005","90","","2887.1","0.2","295","2","295","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","(Z)-1-(4'-benzamide-2'-butenyl)-5-fluorouracil","","- C15 H14 F N3 O3 -","- C15 H14 F N3 O3 -","- C120 H112 F8 N24 O24 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.0753","0.0424","","","0.1102","0.12","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506739","11.7837","0.0013","10.928","0.0008","23.738","0.002","90","","100.754","0.01","90","","3003.1","0.5","295","2","295","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(4'-benzamide-2'-butenyl)thymine","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C128 H136 N24 O24 -","8","2","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1295","0.0606","","","0.1478","0.1601","","","","","","0.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506740","5.921","0.002","30.199","0.01","10.162","0.004","90","","119.67","0.02","90","","1578.8","1","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-[4'-(4''-fluoro)benzamide-2'-butenyl]thymine","","- C16 H16 F N3 O3 -","- C16 H16 F N3 O3 -","- C64 H64 F4 N12 O12 -","4","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1916","0.066","","","0.065","0.0799","","","","","","0.983","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506741","4.3098","0.0004","25.4209","0.0016","9.7322","0.0005","90","","96.947","0.007","90","","1058.42","0.13","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4-chloro-2-butenylbenzamide","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C44 H48 Cl4 N4 O4 -","4","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.081","0.0427","","","0.0879","0.094","","","","","","0.997","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506742","25.96","0.02","3.732","0.003","15.585","0.014","90","","110.502","0.011","90","","1414","2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag2 N4 O4 -","- C14 H10 Ag2 N4 O4 -","- C56 H40 Ag8 N16 O16 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0418","0.0348","","","0.0837","0.0871","","","","","","0.957","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506743","3.7843","0.0008","7.7515","0.0016","10.297","0.002","92.957","0.002","95.118","0.003","92.835","0.003","300","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Ag N3 O4 -","- C14 H8 Ag N3 O4 -","- C14 H8 Ag N3 O4 -","1","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0332","0.0304","","","0.0658","0.0827","","","","","","1.166","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506744","9.8973","0.0007","21.2813","0.0015","6.2306","0.0005","90","","90","","90","","1312.34","0.17","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 N4 O4 Zn -","- C14 H10 N4 O4 Zn -","- C56 H40 N16 O16 Zn4 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.035","0.0283","","","0.0697","0.0724","","","","","","1.013","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506745","9.8973","0.0007","21.2813","0.0015","6.2306","0.0005","90","","90","","90","","1312.34","0.17","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 Cd N4 O4 -","- C14 H10 Cd N4 O4 -","- C56 H40 Cd4 N16 O16 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0273","0.0226","","","0.0533","0.0549","","","","","","1.042","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506746","9.9006","0.0014","21.354","0.003","6.226","0.0009","90","","90","","90","","1316.3","0.3","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 Co N4 O4 -","- C14 H10 Co N4 O4 -","- C56 H40 Co4 N16 O16 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.1231","0.0477","","","0.0542","0.0651","","","","","","0.701","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506747","5.3699","0.0008","10.667","0.0017","10.8909","0.0017","90","","90","","90","","623.84","0.17","291","2","291","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C14 H10 N4 Ni O4 -","- C14 H10 N4 Ni O4 -","- C28 H20 N8 Ni2 O8 -","2","0.25","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0499","0.0363","","","0.0806","0.0856","","","","","","0.969","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506748","13.485","0.002","7.0669","0.0011","13.51","0.002","90","","98.345","0.002","90","","1273.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Niclosamide","2,5-dichloro-4-nitrosalicylanilide ?","","- C13 H8 Cl2 N2 O4 -","- C13 H8 Cl2 N2 O4 -","- C52 H32 Cl8 N8 O16 -","4","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.0372","0.0349","","","0.0915","0.0931","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506749","7.8756","0.0004","10.7632","0.0006","25.8869","0.0013","90","","96.286","0.001","90","","2181.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Niclosamide-caffeine","2,5-dichloro-4-nitrosalicylanilide,1,3,7-trimethyl-1H-purine-2,6-dione ?","","- C21 H18 Cl2 N6 O6 -","- C21 H18 Cl2 N6 O6 -","- C84 H72 Cl8 N24 O24 -","4","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.0572","0.0547","","","0.1531","0.1555","","","","","","1.033","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506750","7.281","0.0014","12.763","0.002","12.789","0.002","62.543","0.017","76.384","0.016","74.384","0.015","1007","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Niclosamide-p-aminobenzoic acid","2,5-dichloro-4-nitrosalicylanilide,p-aminobenzoic acid ?","","- C20 H15 Cl2 N3 O6 -","- C20 H15 Cl2 N3 O6 -","- C40 H30 Cl4 N6 O12 -","2","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.0857","0.0386","","","0.0763","0.0861","","","","","","0.857","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506751","9.1371","0.0007","10.8809","0.0009","22.4497","0.0017","90","","99.924","0.008","90","","2198.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Niclosamide-theophylline","2,5-dichloro-4-nitrosalicylanilide, 1,3-dimethyl-7H-purine-2,6-dione ?","","- C20 H16 Cl2 N6 O6 -","- C20 H16 Cl2 N6 O6 -","- C80 H64 Cl8 N24 O24 -","4","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.1273","0.0614","","","0.1032","0.1358","","","","","","0.998","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506752","8.579","0.003","10.733","0.004","13.216","0.005","105.579","0.006","94.104","0.006","96.024","0.006","1159.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Niclosamide-theophylline-acetonitrile solvate","2,5-dichloro-4-nitrosalicylanilide, 1,3-dimethyl-7H-purine-2,6-dione, acetonitrile solvate ?","","- C22 H19 Cl2 N7 O6 -","- C22 H19 Cl2 N7 O6 -","- C44 H38 Cl4 N14 O12 -","2","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.096","0.0526","","","0.1394","0.1728","","","","","","1.092","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506753","11.1272","0.001","16.9312","0.0014","8.5708","0.0007","90","","93.312","0.001","90","","1612","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Niclosamide-urea","2,5-dichloro-4-nitrosalicylanilide, urea ?","","- C14 H12 Cl2 N4 O5 -","- C14 H12 Cl2 N4 O5 -","- C56 H48 Cl8 N16 O20 -","4","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.0334","0.0313","","","0.0766","0.0782","","","","","","1.069","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506754","30.5283","0.0002","30.5283","0.0002","14.0942","0.0001","90","","90","","90","","13135.5","0.15","93.1","","296.1","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39 H30 Cl3 N O3 S -","- C39 H30 Cl3 N O3 S -","- C624 H480 Cl48 N16 O48 S16 -","16","1","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","0.7","synchrotron","","","0.0684","","","","0.1769","","","","","","1.049","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506755","27.0647","0.0006","27.0647","0.0006","35.4072","0.0009","90","","90","","90","","25935.7","1","296.1","","296.1","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C79 H66 N2 O6 S2 -","- C79 H66 N2 O6 S2 -","- C1264 H1056 N32 O96 S32 -","16","1","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","1.54178","CuKα","","","0.1143","","","","0.3598","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506756","26.173","","31.957","0.0001","32.739","0.0001","90","","111.62","0.0001","90","","25456.8","0.11","93.1","","296.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N O3 S -","- C33 H27 N O3 S -","- C1056 H864 N32 O96 S32 -","32","8","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","0.7","synchrotron","","","0.0846","","","","0.2682","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506757","31.2919","0.0006","41.6841","0.0008","31.9775","0.0006","90","","90.757","0.001","90","","41707","1.4","123.1","","296.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 N O3 S -","- C33 H26.8333 N O3 S -","- C1584 H1288 N48 O144 S48 -","48","12","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","1.54178","CuKα","","","0.1047","","","","0.2678","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506758","31.2919","0.0006","41.6841","0.0008","31.9775","0.0006","90","","90.757","0.0008","90","","41707","1.4","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C504 H468 N12 O36 S12 -","- C513 H480 N12 O36 S12 -","- C2052 H1920 N48 O144 S48 -","4","1","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","1.54187","CuKα","","","0.1335","","","","0.432","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506759","14.7453","0.0011","7.6151","0.0006","23.8558","0.0017","90","","102.432","0.001","90","","2615.9","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H17 Co F6 N2 O4 -","- C26 H17 Co F6 N2 O4 -","- C104 H68 Co4 F24 N8 O16 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.0658","0.055","","","0.1216","0.1284","","","","","","0.991","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506760","7.5262","0.0007","23.884","0.002","14.489","0.002","90","","105.395","0.01","90","","2511","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Co F6 N2 O4 -","- C26 H16 Co F6 N2 O4 -","- C104 H64 Co4 F24 N8 O16 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.1394","0.0719","","","0.1187","0.1451","","","","","","1.031","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506761","13.8015","0.0018","9.1393","0.0012","17.045","0.002","90","","111.037","0.002","90","","2006.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Co N2 O5 -","- C23 H17 Co N2 O5 -","- C92 H68 Co4 N8 O20 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.0646","0.0566","","","0.1388","0.1443","","","","","","1.119","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506762","12.426","0.004","9.771","0.003","25.202","0.008","90","","92.962","0.005","90","","3055.8","1.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Co N4 O6 -","- C32 H26 Co N4 O6 -","- C128 H104 Co4 N16 O24 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.0874","0.0636","","","0.1431","0.155","","","","","","1.1","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506763","10.783","0.002","9.897","0.002","15.585","0.003","90","","95.36","0.03","90","","1655.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Co N2 O4 -","- C19 H17 Co N2 O4 -","- C76 H68 Co4 N8 O16 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.0317","0.0298","","","0.0744","0.0755","","","","","","1.048","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506764","10.7107","0.0008","11.0699","0.0008","13.0452","0.001","101.866","0.001","104.002","0.001","110.698","0.001","1329.72","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Co N4 O6 -","- C28 H30 Co N4 O6 -","- C56 H60 Co2 N8 O12 -","2","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.046","0.041","","","0.1011","0.1043","","","","","","1.058","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506765","9.2407","0.0014","15.876","0.002","15.9418","0.0018","90","","110.773","0.007","90","","2186.7","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H48 Co2 N8 O14 -","- C40 H48 Co2 N8 O14 -","- C80 H96 Co4 N16 O28 -","2","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0755","0.0593","","","0.1667","0.1759","","","","","","1.031","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4506766","17.881","0.007","15.27","0.006","14.857","0.006","90","","105.82","0.007","90","","3903","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 N11 O10 Zn2 -","- C35 H35 N11 O10 Zn2 -","- C140 H140 N44 O40 Zn8 -","4","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0954","0.0852","","","0.1979","0.2022","","","","","","1.133","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4506767","9.2708","0.0009","16.9735","0.0017","15.3137","0.0015","90","","103.345","0.002","90","","2344.7","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H46 Cd2 N8 O13 -","- C40 H46 Cd2 N8 O13 -","- C80 H92 Cd4 N16 O26 -","2","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0646","0.0493","","","0.1364","0.143","","","","","","0.97","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4506768","9.134","0.002","13.201","0.003","19.206","0.004","90.485","0.004","98.302","0.004","100.789","0.004","2249.5","0.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N8 O9 Zn2 -","- C40 H26 N8 O9 Zn2 -","- C80 H52 N16 O18 Zn4 -","2","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.1012","0.0718","","","0.1973","0.2424","","","","","","1.061","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4506769","9.9944","0.0015","17.032","0.003","14.414","0.002","90","","90.697","0.003","90","","2453.4","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H31 Cd2 N9 O10 -","- C42 H31 Cd2 N9 O10 -","- C84 H62 Cd4 N18 O20 -","2","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0554","0.0498","","","0.1741","0.1831","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506770","10.7882","0.0015","13.0533","0.0018","13.0557","0.0018","86.458","0.002","87.243","0.002","79.259","0.002","1801.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H74 Co2 N8 O15 -","- C80 H74 Co2 N8 O15 -","- C80 H74 Co2 N8 O15 -","1","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.038","0.0342","","","0.0883","0.0902","","","","","","1.06","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4506771","14.1863","0.0018","21.024","0.003","11.607","0.0015","90","","94.39","0.002","90","","3451.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co N4 O8 -","- C40 H32 Co N4 O8 -","- C160 H128 Co4 N16 O32 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0594","0.0513","","","0.1609","0.166","","","","","","1.097","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4506772","9.73","0.007","10.19","0.005","19.529","0.006","78.011","0.005","80.4","0.008","87.705","0.007","1867.5","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H90 Co3 N8 O30 -","- C64 H70 Co3 N8 O30 -","- C64 H70 Co3 N8 O30 -","1","0.5","","Ahmad, Musheer; Das, Raja; Lama, Prem; Poddar, Pankaj; Bharadwaj, Parimal K.","Synthesis, Characterization, and Magnetic Studies of Coordination Polymers with Co(II) and Mn(II) Ions","Crystal Growth & Design","2012","12","9","4624","","10.1021/cg300829c","","","0.71073","MoKα","","0.0915","0.0618","","","0.1423","0.1694","","","","","","1.03","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506773","7.341","0.004","9.823","0.006","13.683","0.005","90.119","0.003","90.245","0.006","104.146","0.005","956.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Co N2 O8 -","- C21 H16 Co N2 O8 -","- C42 H32 Co2 N4 O16 -","2","1","","Ahmad, Musheer; Das, Raja; Lama, Prem; Poddar, Pankaj; Bharadwaj, Parimal K.","Synthesis, Characterization, and Magnetic Studies of Coordination Polymers with Co(II) and Mn(II) Ions","Crystal Growth & Design","2012","12","9","4624","","10.1021/cg300829c","","","0.71073","MoKα","","0.099","0.0784","","","0.1931","0.2135","","","","","","1.031","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506774","8.28","0.006","10.184","0.005","15.679","0.004","81.102","0.003","85.719","0.005","74.985","0.006","1260.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Co3 N2 O28 -","- C42 H42 Co3 N2 O28 -","- C42 H42 Co3 N2 O28 -","1","0.5","","Ahmad, Musheer; Das, Raja; Lama, Prem; Poddar, Pankaj; Bharadwaj, Parimal K.","Synthesis, Characterization, and Magnetic Studies of Coordination Polymers with Co(II) and Mn(II) Ions","Crystal Growth & Design","2012","12","9","4624","","10.1021/cg300829c","","","0.71073","MoKα","","0.0809","0.0593","","","0.1552","0.1933","","","","","","1.051","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506775","19.194","0.006","10.022","0.004","21.904","0.005","90","","90.194","0.005","90","","4213","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H39 Mn3 N3 O17 -","- C41 H39 Mn3 N3 O17 -","- C164 H156 Mn12 N12 O68 -","4","0.5","","Ahmad, Musheer; Das, Raja; Lama, Prem; Poddar, Pankaj; Bharadwaj, Parimal K.","Synthesis, Characterization, and Magnetic Studies of Coordination Polymers with Co(II) and Mn(II) Ions","Crystal Growth & Design","2012","12","9","4624","","10.1021/cg300829c","","","0.71073","MoKα","","0.0716","0.05","","","0.1206","0.16","","","","","","1.12","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506776","15.635","0.002","19.086","0.002","34.414","0.004","102.069","0.006","95.145","0.006","96.104","0.006","9919","2","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","three-butanol solvate di-cloroform solvate monohydrate","","- C167 H211 Cl9 N32 O76 -","- C167 H211 Cl9 N32 O76 -","- C334 H422 Cl18 N64 O152 -","2","1","","Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari","Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State","Crystal Growth & Design","2012","12","10","4919","","10.1021/cg3008409","","x-ray","1.54184","CuKα","","0.225","0.1438","","","0.3655","0.4294","","","","","","1.015","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506777","18.8851","0.0006","21.7869","0.0006","21.9992","0.0007","100.15","0.001","107.61","0.002","111.825","0.002","7570.7","0.4","123","2","123","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C138 H207 N21 O40 -","- C138 H207 N21 O40 -","- C276 H414 N42 O80 -","2","1","","Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari","Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State","Crystal Growth & Design","2012","12","10","4919","","10.1021/cg3008409","","x-ray","1.54184","CuKα","","0.1296","0.0933","","","0.2676","0.3007","","","","","","0.977","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506778","19.0473","0.0003","14.0303","0.0002","26.9299","0.0005","90","","96.56","0.001","90","","7149.6","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H108 N8 O24 -","- C66 H108 N8 O24 -","- C264 H432 N32 O96 -","4","1","","Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari","Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State","Crystal Growth & Design","2012","12","10","4919","","10.1021/cg3008409","","x-ray","0.71073","MoKα","","0.1308","0.0805","","","0.1622","0.2031","","","","","","0.972","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506779","33.447","0.0009","24.8056","0.0009","25.2165","0.0008","90","","128.917","0.001","90","","16278.1","0.9","123","2","123","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","di-dichloromethane solvate","","- C68.85 H98 Cl7.15 F8.55 N4 O16.55 S2.85 -","- C68.85 H98 Cl7.15 F8.55 N4 O16.55 S2.85 -","- C550.8 H784 Cl57.2 F68.4 N32 O132.4 S22.8 -","8","1","","Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari","Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State","Crystal Growth & Design","2012","12","10","4919","","10.1021/cg3008409","","x-ray","1.54184","CuKα","","0.1747","0.1367","","","0.419","0.4653","","","","","","1","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506780","7.123","0.003","13.896","0.005","15.893","0.006","90","","90","","90","","1573.1","1.1","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cd Cl N2 O3 -","- C12 H17 Cd Cl N2 O3 -","- C48 H68 Cd4 Cl4 N8 O12 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0475","0.0434","","","0.1059","0.1079","","","","","","1.033","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506781","7.2398","0.0006","13.7041","0.0011","16.5286","0.0013","90","","90","","90","","1639.9","0.2","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Br Cd N2 O2 -","- C12 H17 Br Cd N2 O2 -","- C48 H68 Br4 Cd4 N8 O8 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0461","0.0421","","","0.13","0.1342","","","","","","1.066","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506782","5.8751","0.0017","15.067","0.004","16.416","0.005","90","","90","","90","","1453.1","0.7","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cd Cl N2 O4 -","- C9 H11 Cd Cl N2 O4 -","- C36 H44 Cd4 Cl4 N8 O16 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0341","0.0336","","","0.0952","0.0956","","","","","","1.097","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506783","9.4628","0.0012","15.19","0.0019","10.0319","0.0012","90","","110.63","0.002","90","","1349.5","0.3","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Br2 Cd2 N4 O9 -","- C18 H21 Br2 Cd2 N4 O9 -","- C36 H42 Br4 Cd4 N8 O18 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0506","0.0485","","","0.1325","0.1344","","","","","","1.067","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506784","7.906","0.0007","10.7338","0.001","8.9647","0.0008","90","","110.528","0.001","90","","712.45","0.11","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C10 H13 Cd Cl N2 O5 -","- C10 H13 Cd Cl N2 O5 -","- C20 H26 Cd2 Cl2 N4 O10 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.019","0.0189","","","0.0501","0.0501","","","","","","1.021","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506785","7.9689","0.0012","10.7406","0.0015","8.9501","0.0013","90","","110.444","0.002","90","","717.8","0.18","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Br Cd N2 O5 -","- C10 H12 Br Cd N2 O5 -","- C20 H24 Br2 Cd2 N4 O10 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.063","0.0625","","","0.1446","0.145","","","","","","1.081","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506786","8.619","0.002","17.818","0.006","18.385","0.006","95.672","0.014","102.223","0.01","101.053","0.01","2679.5","1.4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H116 Eu2 N12 O40 Zn3 -","- C54 H84 Eu2 N12 O40 Zn3 -","- C54 H84 Eu2 N12 O40 Zn3 -","1","0.5","","Zhu, Xian-Dong; Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Cao, Rong","Two Novel 3d-4f Heterometallic Frameworks Assembled from a Flexible Bifunctional Macrocyclic Ligand","Crystal Growth & Design","2012","12","10","4708","","10.1021/cg300848f","","","0.71073","MoKα","","0.084","0.067","","","0.1892","0.2098","","","","","","1.038","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506787","8.8492","0.0009","17.245","0.002","17.791","0.002","115.275","0.003","95.662","0.003","103.865","0.003","2320.2","0.5","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H100 Cu3 Gd2 N12 O32 -","- C54 H84 Cu3 Gd2 N12 O32 -","- C54 H84 Cu3 Gd2 N12 O32 -","1","0.5","","Zhu, Xian-Dong; Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Cao, Rong","Two Novel 3d-4f Heterometallic Frameworks Assembled from a Flexible Bifunctional Macrocyclic Ligand","Crystal Growth & Design","2012","12","10","4708","","10.1021/cg300848f","","","0.71073","MoKα","","0.1088","0.0801","","","0.2069","0.2359","","","","","","1.055","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506788","5.1044","0.0003","5.5593","0.0003","8.4574","0.0005","89.989","0.003","85.615","0.003","71.995","0.003","227.5","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H4 O6 U -","- C8 H4 O6 U -","- C8 H4 O6 U -","1","0.5","","Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry","Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers","Crystal Growth & Design","2012","12","9","4641","","10.1021/cg300853f","","","0.71073","MoKα","","0.0162","0.016","","","0.0381","0.0383","","","","","","1.129","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506789","9.0105","0.0002","14.4741","0.0003","5.3067","0.0001","90","","103.364","0.001","90","","673.35","0.02","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H8 O6 U -","- C14 H8 O6 U -","- C28 H16 O12 U2 -","2","0.25","","Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry","Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers","Crystal Growth & Design","2012","12","9","4641","","10.1021/cg300853f","","","0.71073","MoKα","","0.0231","0.0219","","","0.0448","0.0451","","","","","","1.121","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506790","5.1366","0.001","5.6106","0.0011","12.944","0.002","95.95","0.01","90.627","0.01","107.037","0.011","354.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 N2 O6 U -","- C14 H8 N2 O6 U -","- C14 H8 N2 O6 U -","1","0.5","","Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry","Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers","Crystal Growth & Design","2012","12","9","4641","","10.1021/cg300853f","","","0.71073","MoKα","","0.0187","0.0187","","","0.0445","0.0445","","","","","","1.096","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506791","6.3566","0.0002","8.4626","0.0002","16.7062","0.0004","90","","94.03","0.001","90","","896.46","0.04","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 O6 U -","- C8 H4 O6 U -","- C32 H16 O24 U4 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry","Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers","Crystal Growth & Design","2012","12","9","4641","","10.1021/cg300853f","","","0.71073","MoKα","","0.0238","0.0146","","","0.0373","0.0433","","","","","","0.955","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506792","7.3","0.009","19.11","0.02","34.17","0.04","90","","90","","90","","4767","10","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C216 H164 Co8 N16 O52 -","- C216 H164 Co8 N16 O52 -","- C216 H164 Co8 N16 O52 -","1","0.125","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.1402","0.1091","","","0.2297","0.2479","","","","","","1.06","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506793","9.909","0.004","11.997","0.002","12.106","0.002","119.497","0.002","97.858","0.003","103.503","0.003","1162.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Co N2 O7 -","- C27 H20 Co N2 O7 -","- C54 H40 Co2 N4 O14 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.0961","0.0611","","","0.1615","0.1845","","","","","","1.046","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506794","19.623","0.009","12.731","0.006","11.297","0.005","90","","116.725","0.005","90","","2521","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H22 N2 Ni O7 -","- C27 H22 N2 Ni O7 -","- C108 H88 N8 Ni4 O28 -","4","1","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.0933","0.0631","","","0.157","0.1803","","","","","","1.017","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506795","9.503","0.009","11.211","0.01","20.271","0.018","76.345","0.012","86.308","0.012","83.617","0.012","2084","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H38 Mn3 N2 O17 -","- C43 H38 Mn3 N2 O17 -","- C86 H76 Mn6 N4 O34 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.1309","0.0675","","","0.1605","0.1975","","","","","","1.023","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506796","10.3375","0.0006","15.2574","0.0015","15.087","0.0015","90","","91.745","0.007","90","","2378.5","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Co2 N8 O18 -","- C42 H50 Co2 N8 O18 -","- C84 H100 Co4 N16 O36 -","2","1","","Lisnard, Laurent; Chamoreau, Lise-Marie; Li, Yanling; Journaux, Yves","Solvothermal Synthesis of Oxamate-Based Helicate: Temperature Dependence of the Hydrogen Bond Structuring in the Solid","Crystal Growth & Design","2012","12","10","4955","","10.1021/cg300877r","","x-ray","0.71073","Mokα","","0.0711","0.0422","","","0.0868","0.0955","","","","","","1","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506797","17.527","0.002","17.527","0.002","46.452","0.007","90","","90","","120","","12358","3","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C51 H91 Co2 N11 O31 -","- C51 H18 Co2 N11 O31 -","- C306 H108 Co12 N66 O186 -","6","0.166667","","Lisnard, Laurent; Chamoreau, Lise-Marie; Li, Yanling; Journaux, Yves","Solvothermal Synthesis of Oxamate-Based Helicate: Temperature Dependence of the Hydrogen Bond Structuring in the Solid","Crystal Growth & Design","2012","12","10","4955","","10.1021/cg300877r","","","0.71073","MoKα","","0.1257","0.0849","","","0.2619","0.2981","","","","","","1.135","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506798","9.1485","0.0018","9.4656","0.0019","9.903","0.002","107.39","0.03","98.66","0.03","97.17","0.03","795.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1 Cocrystal of nitrofurantoin and 3-aminobenzoic acid","1:1 Cocrystal of nitrofurantoin and 3-aminobenzoic acid","","- C15 H13 N5 O7 -","- C15 H13 N5 O7 -","- C30 H26 N10 O14 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0654","0.0549","","","0.1207","0.1268","","","","","","1.149","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506799","6.7539","0.0014","7.4546","0.0015","16.032","0.003","92.64","0.03","91.81","0.03","102.47","0.03","786.6","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1 Cocrystal of nitrofurantoin and 4-aminobenzoic acid","1:1 Cocrystal of nitrofurantoin and 4-aminobenzoic acid","","- C15 H13 N5 O7 -","- C15 H13 N5 O7 -","- C30 H26 N10 O14 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0603","0.0524","","","0.1221","0.1319","","","","","","1.145","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506800","6.81","0.002","15.644","0.005","21.12","0.007","90","","93.26","0.007","90","","2246.4","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:2 Cocrystal of nitrofurantoin and 4-hydroxybenzamide","1:2 Cocrystal of nitrofurantoin and 4-hydroxybenzamide","","- C22 H20 N6 O9 -","- C22 H20 N6 O9 -","- C88 H80 N24 O36 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.1498","0.1147","","","0.2619","0.2796","","","","","","1.146","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506801","6.6779","0.0013","13.648","0.003","14.003","0.004","90","","110.95","0.03","90","","1191.9","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 cocrystal of nitrofurantoin and urea","1:1 cocrystal of nitrofurantoin and urea","","- C9 H10 N6 O6 -","- C9 H10 N6 O6 -","- C36 H40 N24 O24 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.041","0.0403","","","0.0951","0.0958","","","","","","1.114","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506802","8.7234","0.0017","9.969","0.002","11.547","0.002","65.43","0.03","86.27","0.03","84.23","0.03","908.3","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","1:1 Cocrystal of nitrofurantoin and phenazine (two half molecules)","","- C20 H14 N6 O5 -","- C20 H14 N6 O5 -","- C40 H28 N12 O10 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.1024","0.0891","","","0.1853","0.1943","","","","","","1.218","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506803","6.8748","0.0014","10.541","0.002","11.088","0.002","75.64","0.03","82.27","0.03","84.85","0.03","770","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1:1 Cocrystal of nitrofurantoin, melamine and water","1:1:1 Cocrystal of nitrofurantoin, melamine and water","","- C11 H14 N10 O6 -","- C11 H14 N10 O6 -","- C22 H28 N20 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0378","0.0358","","","0.0897","0.0946","","","","","","1.098","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506804","31.804","0.006","6.7822","0.0014","13.672","0.003","90","","99.86","0.03","90","","2905.5","1.1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1:1/2:1 Cocrystal of nitrofurantoin, 4,4'-bipyridyl and water","1:0.5:1 Cocrystal of nitrofurantoin, 4,4'-bipyridyl and water","","- C13 H12 N5 O6 -","- C13 H12 N5 O6 -","- C104 H96 N40 O48 -","8","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0686","0.0672","","","0.1533","0.1544","","","","","","1.241","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506805","6.4093","0.0013","13.597","0.003","19.138","0.004","106.54","0.03","93.68","0.03","100.76","0.03","1558.5","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1:1 Cocrystal of nitrofurantoin, 4,4'-bipyridyl ethane and water","1:0.5:1 Cocrystal of nitrofurantoin, 4,4'-bipyridyl ethane and water","","- C28 H28 N10 O12 -","- C28 H28 N10 O12 -","- C56 H56 N20 O24 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0949","0.0783","","","0.1764","0.1885","","","","","","1.203","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506806","3.9626","0.0001","6.2888","0.0002","16.5205","0.0005","90","","94.462","0.002","90","","410.44","0.02","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C18 H14 N6 O4 -","2","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Wei, Jia-Jia; Xu, Xiang; Li, Xin-Fa; Liu, Qing-Yan","Noncentrosymmetric Organic Solid and Its Zinc Coordination Polymer with Diamonded Network Prepared from an Ionothermal Reaction: Syntheses, Crystal Structures, and Second-Order Nonlinear Optics Properties","Crystal Growth & Design","2012","12","9","4663","","10.1021/cg300889x","","","0.71073","MoKα","","0.041","0.0331","","","0.0773","0.0832","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506807","12.4567","0.0016","20.188","0.003","8.1381","0.001","90","","115.55","0.001","90","","1846.4","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Wei, Jia-Jia; Xu, Xiang; Li, Xin-Fa; Liu, Qing-Yan","Noncentrosymmetric Organic Solid and Its Zinc Coordination Polymer with Diamonded Network Prepared from an Ionothermal Reaction: Syntheses, Crystal Structures, and Second-Order Nonlinear Optics Properties","Crystal Growth & Design","2012","12","9","4663","","10.1021/cg300889x","","","0.71073","MoKα","","0.0347","0.0291","","","0.0687","0.0716","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506808","10.0985","0.0016","7.0684","0.0014","15.296","0.002","90","","96.282","0.014","90","","1085.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.1543","0.0618","","","0.0833","0.1017","","","","","","0.889","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506809","7.581","0.005","8.673","0.006","13.437","0.012","74.23","0.01","84.306","0.015","74.627","0.011","819.5","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C36 H36 N4 O10 -","2","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.0582","0.0503","","","0.1237","0.1299","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506810","7.559","0.004","9.765","0.004","10.036","0.004","87.82","0.03","87.78","0.04","67.56","0.04","684","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N2 O4 -","- C15 H15 N2 O4 -","- C30 H30 N4 O8 -","2","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.1293","0.0637","","","0.1129","0.1488","","","","","","1.009","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506811","33.756","0.005","7.189","0.0011","14.479","0.002","90","","106.874","0.016","90","","3362.4","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N4 O13 -","- C36 H38 N4 O13 -","- C144 H152 N16 O52 -","4","0.5","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.091","0.0609","","","0.1325","0.1539","","","","","","1.056","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506812","7.9735","0.0011","8.0661","0.0011","25.497","0.003","90","","90","","90","","1639.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.074","0.0522","","","0.0961","0.1047","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506813","11.121","0.0003","13.16","0.0003","18.9759","0.0004","80.715","0.001","75.251","0.001","65.589","0.001","2440.6","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Ag Cl O8 S2 -","- C22 H28 Ag Cl O8 S2 -","- C88 H112 Ag4 Cl4 O32 S8 -","4","2","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0582","0.0479","","","0.1253","0.1332","","","","","","1.037","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506814","11.9045","0.0007","17.2799","0.0011","12.1947","0.0007","90","","90","","90","","2508.6","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H28 Hg N2 O10 S2 -","- C22 H28 Hg N2 O10 S2 -","- C88 H112 Hg4 N8 O40 S8 -","4","0.5","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0433","0.0353","","","0.0916","0.1002","","","","","","1.077","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506815","13.6967","0.0003","8.7888","0.0002","20.5805","0.0005","90","","103.447","0.001","90","","2409.51","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 O4 Pd S2 -","- C22 H28 Cl2 O4 Pd S2 -","- C88 H112 Cl8 O16 Pd4 S8 -","4","1","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0296","0.0239","","","0.0572","0.0603","","","","","","1.045","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506816","10.3496","0.0006","12.182","0.0007","23.522","0.0013","84.168","0.002","79.867","0.002","73.06","0.002","2788.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H68 Ag2 Cl2 N2 O16 S4 -","- C50 H68 Ag2 Cl2 N2 O16 S4 -","- C100 H136 Ag4 Cl4 N4 O32 S8 -","2","1","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.1039","0.0892","","","0.2974","0.312","","","","","","1.078","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506817","12.5298","0.0003","14.3683","0.0003","18.2953","0.0004","83.004","0.001","88.88","0.001","72.618","0.001","3119.43","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H71 Ag2 Cl2 N3 O17 S4 -","- C57 H71 Ag2 Cl2 N3 O17 S4 -","- C114 H142 Ag4 Cl4 N6 O34 S8 -","2","1","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0459","0.0377","","","0.098","0.1058","","","","","","1.026","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506818","14.8227","0.0003","20.0735","0.0005","22.3386","0.0006","90","","105.791","0.002","90","","6395.9","0.3","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C58 H72 Ag2 Cl2 N4 O16 S4 -","- C58 H72 Ag2 Cl2 N4 O16 S4 -","- C232 H288 Ag8 Cl8 N16 O64 S16 -","4","0.5","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.1083","0.0615","","","0.1664","0.1919","","","","","","1.038","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506819","11.5178","0.001","11.541","0.0009","25.014","0.002","84.761","0.005","81.272","0.005","66.153","0.004","3004.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 Br Cl4 Cu O4 S2 -","- C24 H32 Br Cl4 Cu O4 S2 -","- C96 H128 Br4 Cl16 Cu4 O16 S8 -","4","2","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.1965","0.1787","","","0.4197","0.4266","","","","","","1.16","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506820","8.9977","0.0005","12.3432","0.0006","12.9714","0.0007","92.409","0.002","109.082","0.002","92.67","0.002","1357.47","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Ag2 N2 O4 S4 -","- C24 H28 Ag2 N2 O4 S4 -","- C48 H56 Ag4 N4 O8 S8 -","2","1","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0315","0.0275","","","0.0714","0.0747","","","","","","1.032","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506821","6.8839","0.0015","8.8678","0.0019","10.965","0.002","90.466","0.003","102.738","0.003","101.102","0.003","639.8","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C30 H24 N8 -","2","1","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.0838","0.0424","","","0.0967","0.1167","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506822","12.5956","0.0017","13.2999","0.0018","9.7711","0.0013","90","","101.025","0.002","90","","1606.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O4 Pb -","- C15 H12 N2 O4 Pb -","- C60 H48 N8 O16 Pb4 -","4","1","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.041","0.0284","","","0.0676","0.0716","","","","","","1.03","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506823","14.2347","0.0012","19.772","0.002","10.8817","0.001","90","","90","","90","","3062.6","0.5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H12 N2 O4 Pb -","- C15 H12 N2 O4 Pb -","- C120 H96 N16 O32 Pb8 -","8","0.5","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.0322","0.0254","","","0.0513","0.0532","","","","","","1.063","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506824","22.976","0.013","19.587","0.011","10.776","0.006","90","","101.912","0.007","90","","4745","5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C45 H36 N6 O12 Pb3 -","- C45 H36 N6 O12 Pb3 -","- C180 H144 N24 O48 Pb12 -","4","0.5","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.0657","0.0482","","","0.1243","0.1327","","","","","","1.074","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506825","11.795","0.002","13.2729","0.0011","13.9455","0.0012","118.039","0.001","105.782","0.001","92.554","0.001","1815.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N4 O10 Pb2 -","- C30 H28 N4 O10 Pb2 -","- C60 H56 N8 O20 Pb4 -","2","1","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.036","0.0273","","","0.063","0.0656","","","","","","1.083","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506826","9.6541","0.0004","23.3402","0.001","18.1468","0.0008","90","","90.709","0.001","90","","4088.7","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O24 P4 U2 Zn2 -","- C28 H24 N4 O24 P4 U2 Zn2 -","- C112 H96 N16 O96 P16 U8 Zn8 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0603","0.0408","","","0.0789","0.0851","","","","","","1.045","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506827","18.0978","0.0013","21.7894","0.0016","9.6388","0.0007","90","","90","","90","","3801","0.5","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H24 N4 O20 P4 U2 Zn2 -","- C24 H24 N4 O20 P4 U2 Zn2 -","- C96 H96 N16 O80 P16 U8 Zn8 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0814","0.0522","","","0.1221","0.1391","","","","","","1.046","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506828","9.7111","0.0005","16.7387","0.0008","18.0226","0.0008","90","","90.29","0.001","90","","2929.6","0.2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N2 O24 P4 U2 Zn0.5 -","- C11 H17 N2 O24 P4 U2 Zn0.5 -","- C44 H68 N8 O96 P16 U8 Zn2 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0512","0.0401","","","0.0802","0.0836","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506829","9.697","0.0008","17.5578","0.0014","17.9345","0.0015","90","","90.327","0.001","90","","3053.4","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O23 P4 U2 Zn -","- C13 H18 N2 O23 P4 U2 Zn -","- C52 H72 N8 O92 P16 U8 Zn4 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0544","0.045","","","0.1096","0.1137","","","","","","1.075","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506830","4.28423","0.00011","13.4658","0.0004","15.8983","0.0017","90","","79.3","0.004","90","","901.23","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FBPTSMe","","","- C6 H3 F N3 S2 Se2 -","- C6 H3 F N3 S2 Se2 -","- C24 H12 F4 N12 S8 Se8 -","4","1","","Lekin, Kristina; Leitch, Alicea A.; Tse, John S.; Bao, Xuezhao; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Oakley, Richard T.","A Pressure Induced Structural Dichotomy in Isostructural Bis-1,2,3-thiaselenazolyl Radical Dimers","Crystal Growth & Design","2012","12","9","4676","","10.1021/cg3009255","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.19006","","1.85","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506831","3.82021","0.00012","13.82056","0.00034","15.0366","0.0014","90","","82.973","0.006","90","","787.93","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FBPTSMe","","","- C6 H3 F N3 S2 Se2 -","- C6 H3 F N3 S2 Se2 -","- C24 H12 F4 N12 S8 Se8 -","4","1","","Lekin, Kristina; Leitch, Alicea A.; Tse, John S.; Bao, Xuezhao; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Oakley, Richard T.","A Pressure Induced Structural Dichotomy in Isostructural Bis-1,2,3-thiaselenazolyl Radical Dimers","Crystal Growth & Design","2012","12","9","4676","","10.1021/cg3009255","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.10865","","1.88","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506832","3.5991","0.00017","13.88062","0.00035","14.5372","0.0015","90","","84.851","0.006","90","","723.32","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FBPTSMe","","","- C6 H3 F N3 S2 Se2 -","- C6 H3 F N3 S2 Se2 -","- C24 H12 F4 N12 S8 Se8 -","4","1","","Lekin, Kristina; Leitch, Alicea A.; Tse, John S.; Bao, Xuezhao; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Oakley, Richard T.","A Pressure Induced Structural Dichotomy in Isostructural Bis-1,2,3-thiaselenazolyl Radical Dimers","Crystal Growth & Design","2012","12","9","4676","","10.1021/cg3009255","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.08383","","2.24","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506833","10.9574","0.0011","21.61","0.002","24.121","0.003","90","","90","","90","","5711.6","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H37 Gd3 N13 O21 -","- C60 H36 Gd3 N13 O21 -","- C240 H144 Gd12 N52 O84 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.1142","0.0842","","","0.2012","0.2265","","","","","","1.009","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506834","10.9521","0.0009","21.753","0.002","24.219","0.002","90","","90","","90","","5770","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H36 Eu3 N13 O21 -","- C60 H36 Eu3 N13 O21 -","- C240 H144 Eu12 N52 O84 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.1227","0.0858","","","0.1986","0.2255","","","","","","1.022","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506835","11.0029","0.0011","21.665","0.002","24.201","0.002","90","","90","","90","","5769","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H36 N13 O21 Tb3 -","- C60 H36 N13 O21 Tb3 -","- C240 H144 N52 O84 Tb12 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.0781","0.0566","","","0.1306","0.1503","","","","","","1.097","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506836","10.1371","0.0005","17.3888","0.0009","13.9458","0.0007","90","","109.477","0.002","90","","2317.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)2(bpta)2(H2O)2].6H2O","","","- C40 H58 Mn2 N6 O16 -","- C40 H58 Mn2 N6 O16 -","- C80 H116 Mn4 N12 O32 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.0444","0.0336","","","0.1008","0.1249","","","","","","1.167","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506837","10.2166","0.0008","17.526","0.0013","14.1908","0.0011","90","","109.618","0.004","90","","2393.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)2(bpta)2(H2O)2].5H2O","","","- C40 H56 Mn2 N6 O15 -","- C40 H56 Mn2 N6 O15 -","- C80 H112 Mn4 N12 O30 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.0912","0.0645","","","0.2082","0.2263","","","","","","1.065","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506838","10.1634","0.0003","17.4564","0.0005","14.138","0.0004","90","","109.696","0.002","90","","2361.56","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)2(bpta)2(H2O)2].4H2O.CH3OH","","","- C41 H58 Mn2 N6 O15 -","- C41 H58 Mn2 N6 O15 -","- C82 H116 Mn4 N12 O30 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.1241","0.0667","","","0.1547","0.1814","","","","","","1.063","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506839","10.114","0.003","17.397","0.004","13.435","0.003","90","","108.6","0.011","90","","2240.5","1","350","2","350","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)(bpta)2(H2O)2]","","","- C40 H46 Mn2 N6 O10 -","- C40 H46 Mn2 N6 O10 -","- C80 H92 Mn4 N12 O20 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.1707","0.0803","","","0.216","0.2692","","","","","","1.033","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506840","10.0763","0.0004","17.5648","0.0006","13.3931","0.0005","90","","106.351","0.002","90","","2274.55","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)(bpta)2(H2O)2].4H2O","","","- C40 H54 Mn2 N6 O14 -","- C40 H54 Mn2 N6 O14 -","- C80 H108 Mn4 N12 O28 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.1234","0.0569","","","0.1506","0.1808","","","","","","1.013","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506841","14.9293","0.0006","8.3361","0.0002","15.5173","0.0006","90","","118.565","0.005","90","","1696.09","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C68 H84 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0761","0.0733","","","0.2689","0.2726","","","","","","2.262","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506842","14.8123","0.0008","8.317","0.0002","15.5334","0.0008","90","","117.696","0.007","90","","1694.37","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C68 H84 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0613","0.0566","","","0.1816","0.1895","","","","","","1.478","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506843","14.8724","0.0008","8.2589","0.0003","15.3578","0.0008","90","","118.665","0.007","90","","1655.2","0.18","100.2","","100.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20.35 Cl N2 S -","- C17 H20.356 Cl N2 S -","- C68 H81.424 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0624","0.0607","","","0.2156","0.2174","","","","","","1.83","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506844","14.9859","0.0009","8.3369","0.0003","15.5132","0.001","90","","118.882","0.008","90","","1697.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C68 H84 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0704","0.057","","","0.1729","0.1878","","","","","","1.267","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506845","14.8149","0.0013","8.3237","0.0005","15.5201","0.0012","90","","117.588","0.011","90","","1696.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C68 H84 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0769","0.0635","","","0.1811","0.2006","","","","","","1.302","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506846","5.0642","0.0001","21.9255","0.0005","6.1176","0.0001","90","","113.108","0.001","90","","624.77","0.02","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C16 H20 N12 O20 -","4","1","","Okoth, Maurice O.; Vrcelj, Ranko M.; Pitak, Mateusz B.; Sheen, David B.; Sherwood, John N.","Polymorphism and Hydrated States in 5-Nitrouracil Crystallized from Aqueous Solution","Crystal Growth & Design","2012","12","10","5002","","10.1021/cg300961m","","","0.71073","MoKα","","0.0441","0.0352","","","0.0816","0.0874","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506847","16.674","0.003","13.484","0.003","30.094","0.006","90","","96.87","0.03","90","","6718","2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121.5 H156 Cl2 N24 Ni7 O32 -","- C121.5 H156 Cl2 N24 Ni7 O32 -","- C243 H312 Cl4 N48 Ni14 O64 -","2","0.5","","Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Unprecedented 3D Host-Framework Based on a Ni5Cluster with Helical Chains as Guest: Synthesis, Structure, and Magnetic Property","Crystal Growth & Design","2012","12","10","4712","","10.1021/cg300979c","","","0.71073","MoKα","","0.1146","0.0764","","","0.1946","0.219","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506848","8.3768","0.0013","13.729","0.001","14.5547","0.001","90.157","0.006","102.521","0.009","95.439","0.009","1626.2","0.3","165","2","165","2","","","","","","","","4","P -1","-P 1","2","BTA.DMA.H2O-165","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers","Crystal Growth & Design","2012","12","10","4716","","10.1021/cg300980s","","","0.7107","MoKα","","0.0799","0.0478","","","0.1029","0.1177","","","","","","0.997","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506849","8.4027","0.0012","13.7129","0.001","14.6157","0.0008","90.126","0.005","102.668","0.008","95.329","0.009","1635.6","0.3","210","2","210","2","","","","","","","","4","P -1","-P 1","2","BTA.DMA.H2O-210","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers","Crystal Growth & Design","2012","12","10","4716","","10.1021/cg300980s","","","0.71073","MoKα","","0.0849","0.0487","","","0.1053","0.122","","","","","","0.957","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506850","8.4236","0.0005","13.6964","0.0008","14.6918","0.0007","90.012","0.004","102.972","0.004","95.368","0.005","1644.14","0.16","255","2","255","","","","","","","","","4","P -1","-P 1","2","BTA.DMA.H2O-255","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers","Crystal Growth & Design","2012","12","10","4716","","10.1021/cg300980s","","","0.7107","MoKα","","0.1125","0.0556","","","0.112","0.1395","","","","","","0.982","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506851","8.4373","0.0003","13.698","0.0005","14.7629","0.0006","89.956","0.003","103.262","0.003","95.312","0.003","1653.21","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","BTA.DMA.H2O-300","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers","Crystal Growth & Design","2012","12","10","4716","","10.1021/cg300980s","","","0.71073","MoKα","","0.1037","0.0524","","","0.1145","0.1363","","","","","","1.006","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506852","13.163","0.002","21.296","0.005","18.947","0.003","90","0.005","106.167","0.005","90","0.007","5101.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H49 Cl2 N15 O11 Zn -","- C45 H49 Cl2 N15 O11 Zn -","- C180 H196 Cl8 N60 O44 Zn4 -","4","1","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.093","0.0724","","","0.1858","0.202","","","","","","1.089","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506853","9.281","0.007","10.472","0.005","14.731","0.003","77.108","0.005","75.56","0.002","82.591","0.005","1347.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl2 Cu N16 O12 -","- C48 H56 Cl2 Cu N16 O12 -","- C48 H56 Cl2 Cu N16 O12 -","1","0.5","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.0935","0.082","","","0.2174","0.2314","","","","","","1.051","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506854","7.908","0.005","11.995","0.004","20.795","0.005","90","0.006","96.074","0.005","90","0.002","1961.5","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N6 O4 Zn -","- C20 H16 N6 O4 Zn -","- C80 H64 N24 O16 Zn4 -","4","0.5","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.0683","0.0549","","","0.1286","0.1352","","","","","","1.105","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506855","15.788","0.002","10.04","0.005","11.544","0.004","90","0.005","109.688","0.006","90","0.005","1722.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl Cu N6 -","- C18 H14 Cl Cu N6 -","- C72 H56 Cl4 Cu4 N24 -","4","1","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.042","0.0355","","","0.0902","0.096","","","","","","1.058","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506856","13.419","0.005","20.811","0.002","19.156","0.007","90","0.002","108.284","0.005","90","0.005","5079","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl2 N12 O8 Zn -","- C36 H28 Cl2 N12 O8 Zn -","- C144 H112 Cl8 N48 O32 Zn4 -","4","1","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.2265","0.1652","","","0.391","0.4194","","","","","","1.146","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506857","8.253","0.003","8.374","0.005","12.733","0.004","85.951","0.005","79.422","0.007","77.99","0.005","845.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl Cu N6 O -","- C18 H16 Cl Cu N6 O -","- C36 H32 Cl2 Cu2 N12 O2 -","2","1","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.079","0.0643","","","0.1659","0.1905","","","","","","1.048","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506858","9.8429","0.0013","6.119","0.0008","21.635","0.003","90","","91.328","0.002","90","","1302.7","0.3","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C2-tail","","","- C28 H34 N2 O6 -","- C28 H34 N2 O6 -","- C56 H68 N4 O12 -","2","0.5","","Wells, Kirk E.; Weatherhead, Robin A.; Murigi, Francis N.; Nichol, Gary S.; Carducci, Michael D.; Selby, Hugh D.; Mash, Eugene A.","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 8. Synthesis, Crystal Packing, and Thermochemistry of Piperazinediones Derived from 2-Amino-4,7-dialkoxyindan-2-carboxylic Acids","Crystal Growth & Design","2012","12","10","5056","","10.1021/cg301003p","","","0.71073","MoKα","","0.0701","0.0423","","","0.0917","0.1049","","","","","","1.047","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506859","14.6172","0.0019","6.038","0.0008","19.251","0.003","90","","92.895","0.003","90","","1696.9","0.4","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C4 Tail","","","- C36 H50 N2 O6 -","- C36 H50 N2 O6 -","- C72 H100 N4 O12 -","2","0.5","","Wells, Kirk E.; Weatherhead, Robin A.; Murigi, Francis N.; Nichol, Gary S.; Carducci, Michael D.; Selby, Hugh D.; Mash, Eugene A.","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 8. Synthesis, Crystal Packing, and Thermochemistry of Piperazinediones Derived from 2-Amino-4,7-dialkoxyindan-2-carboxylic Acids","Crystal Growth & Design","2012","12","10","5056","","10.1021/cg301003p","","","0.71073","MoKα","","0.0734","0.0503","","","0.1205","0.1364","","","","","","1.03","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506860","8.886","0.0007","21.164","0.002","12.701","0.001","90","","103.424","0.006","90","","2323.3","0.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H76 Co2 N12 O23.25 -","- C24 H76 Co2 N12 O23.25 -","- C48 H152 Co4 N24 O46.5 -","2","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.0447","0.0368","","","0.0913","0.0989","","","","","","1.052","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506861","10.713","0.0005","11.522","0.0005","13.558","0.0006","70.415","0.004","85.157","0.004","80.418","0.004","1553.98","0.13","170","2","170","2","","","","","","","","5","P 1","P 1","1","lambda- (Co(en)3)2 BDC3 x 20 H2O","lambda-tris-1,2-(ethylenediamino)cobalt(III)-terephthalate-eikosahydrate","","- C36 H100 Co2 N12 O32 -","- C36 H60 Co2 N12 O32 -","- C36 H60 Co2 N12 O32 -","1","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.0698","0.066","","","0.181","0.1891","","","","","","1.084","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4506862","8.5645","0.0014","10.8666","0.0019","12.352","0.002","87.53","0.02","72.56","0.02","71.337","0.019","1037.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Co(en)3]ADC3/2 x 4 H2O","","","- C12 H32 Co N6 O10 -","- C12 H32 Co N6 O10 -","- C24 H64 Co2 N12 O20 -","2","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.1051","0.046","","","0.0633","0.0769","","","","","","0.74","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506863","16.5999","0.0019","16.003","0.0011","19.8084","0.0012","90","","97.954","0.01","90","","5211.4","0.8","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Co(en)3)2 BTC3 x 11.1 H2O","","","- C60 H152.4 Co4 N24 O46.2 -","- C60 H108 Co4 N24 O46.194 -","- C120 H216 Co8 N48 O92.388 -","2","0.5","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.1695","0.1026","","","0.2716","0.3033","","","","","","0.92","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506864","18.043","0.0011","11.734","0.0007","10.01","0.0007","90","","120.189","0.003","90","","1831.8","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","delta- (Co(en)3)EDC(NO3) x 2 H2O","delta-tris-1,2-(ethylenediamino)cobalt(III)-fumerate-nitrate-dihydrate","","- C10 H30 Co N7 O9 -","- C10 H30 Co N7 O9 -","- C40 H120 Co4 N28 O36 -","4","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.0396","0.0345","","","0.0843","0.0868","","","","","","1.021","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506865","7.222","0.002","12.034","0.004","12.859","0.004","102.963","0.005","102.42","0.005","92.363","0.005","1058.9","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Cl2 O2 -","- C23 H16 Cl2 O2 -","- C46 H32 Cl4 O4 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0976","0.054","","","0.1489","0.173","","","","","","0.979","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506866","7.5479","0.0005","12.4908","0.0009","18.3342","0.0013","90","","95.985","0.001","90","","1719.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C84 H64 Cl8 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0359","0.0324","","","0.0823","0.0847","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506867","8.1079","0.0005","17.6794","0.0012","12.3042","0.0008","90","","107.388","0.001","90","","1683.12","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C84 H64 Cl8 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0315","0.0292","","","0.0786","0.0807","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506868","7.5735","0.0006","12.5391","0.0011","18.2526","0.0016","90","","95.732","0.001","90","","1724.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13.25 Cl2 O -","- C21 H13.3672 Cl2 O -","- C84 H53.4688 Cl8 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.045","0.0423","","","0.1093","0.111","","","","","","1.11","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506869","7.2779","0.0007","11.839","0.0011","12.4604","0.0011","101.263","0.001","103.856","0.001","91.19","0.001","1019.73","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H16 Cl2 O -","- C24.5 H16 Cl2 O -","- C49 H32 Cl4 O2 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0471","0.0396","","","0.1082","0.1138","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506870","7.5638","0.0016","12.612","0.003","18.207","0.004","90","","96.092","0.003","90","","1727","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C84 H64 Cl8 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0343","0.0328","","","0.0856","0.087","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506871","7.514","0.0007","8.1314","0.0007","15.238","0.0014","97.026","0.001","101.483","0.001","104.054","0.001","870.71","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C42 H32 Cl4 O2 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0409","0.0365","","","0.0935","0.0967","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506872","19.8402","0.0015","10.8101","0.0008","7.7823","0.0006","90","","90","","90","","1669.1","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C84 H64 Cl8 O4 -","4","0.5","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0345","0.0334","","","0.088","0.089","","","","","","1.071","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506873","7.402","0.003","27.806","0.011","8.442","0.003","90","","104.514","0.006","90","","1682.1","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl4 O -","- C19 H10 Cl4 O -","- C76 H40 Cl16 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0652","0.0487","","","0.1161","0.1218","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506874","7.5966","0.0008","12.545","0.0013","18.2688","0.0018","90","","95.684","0.002","90","","1732.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19.25 Cl O -","- C22.098 H19.294 Cl0.902 O -","- C88.392 H77.176 Cl3.608 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0408","0.0378","","","0.0932","0.0951","","","","","","1.077","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506875","7.614","0.0005","12.5924","0.0008","18.2117","0.0012","90","","95.606","0.001","90","","1737.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19.25 Cl0.75 O -","- C22.108 H19.324 Cl0.892 O -","- C88.432 H77.296 Cl3.568 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0405","0.0392","","","0.0999","0.1009","","","","","","1.091","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506876","7.4976","0.0007","8.1301","0.0007","15.2759","0.0013","97.497","0.001","101.212","0.001","103.222","0.001","874.13","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H20.5 Cl0.5 O -","- C22.504 H20.512 Cl0.496 O -","- C45.008 H41.024 Cl0.992 O2 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.046","0.045","","","0.111","0.1117","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506877","19.853","0.003","10.8323","0.0015","7.8131","0.0011","90","","90","","90","","1680.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H17.75 Cl1.5 O -","- C21.574 H17.722 Cl1.426 O -","- C86.296 H70.888 Cl5.704 O4 -","4","0.5","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0624","0.0579","","","0.1163","0.1179","","","","","","1.319","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506878","7.604","0.0006","12.5706","0.0011","18.1989","0.0015","90","","95.803","0.001","90","","1730.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H17.75 Cl1.5 O -","- C21.602 H17.806 Cl1.398 O -","- C86.408 H71.224 Cl5.592 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0516","0.0479","","","0.1034","0.1052","","","","","","1.208","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506879","7.6297","0.0005","12.5889","0.0008","18.2064","0.0011","90","","95.467","0.001","90","","1740.76","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0513","0.0498","","","0.13","0.1314","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506880","7.4822","0.0006","8.1328","0.0006","15.3014","0.0011","97.562","0.001","101.046","0.001","102.992","0.001","875.49","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0445","0.043","","","0.1107","0.1122","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506881","12.869","0.003","17.255","0.004","7.96","0.002","90","","99.436","0.005","90","","1743.6","0.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0956","0.0755","","","0.1665","0.1771","","","","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506882","27.314","0.007","27.314","0.007","22.74","0.012","90","","90","","120","","14692","9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38.33 H24.33 Mn N3.67 O4 -","- C38.34 H24.34 Mn N3.66 O4 -","- C690.12 H438.12 Mn18 N65.88 O72 -","18","1","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Qu, Yang-Kun; Hu, Tong-Liang; Bu, Xian-He","A Two-Fold Interpenetrated Coordination Framework with a Rare (3,6)-Connected loh1 Topology: Magnetic Properties and Photocatalytic Behavior","Crystal Growth & Design","2012","12","11","5426","","10.1021/cg301010x","","","0.71073","MoKα","","0.201","0.1186","","","0.2072","0.2394","","","","","","1.172","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506883","10.8883","0.0003","29.2108","0.0007","11.3297","0.0004","90","","118.486","0.004","90","","3167.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H40 Mn2 N14 O S14 -","- C54 H40 Mn2 N14 O S14 -","- C108 H80 Mn4 N28 O2 S28 -","2","1","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.0639","0.0469","","","","0.1084","","","","","","0.991","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506884","14.026","0.002","20.318","0.003","10.927","0.0015","90","","91.966","0.014","90","","3112.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H16 Fe N6 O3 S6 -","- C22 H16 Fe N6 O3 S6 -","- C88 H64 Fe4 N24 O12 S24 -","4","1","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.2025","0.0691","","","","0.1806","","","","","","0.87","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506885","13.946","0.008","20.218","0.007","10.911","0.003","90","","90","","90","","3076","2","293","2","293","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C22 H20 Co N6 O2 S6 -","- C22 H20 Co N6 O2 S6 -","- C88 H80 Co4 N24 O8 S24 -","4","0.5","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.0788","0.0312","","","","0.0743","","","","","","0.836","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506886","10.5241","0.0004","38.9877","0.0014","18.2981","0.0008","90","","95.285","0.004","90","","7476","0.5","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C127 H280 N32 Zr4 -","- C127 H280 N32 Zr4 -","- C254 H560 N64 Zr8 -","2","0.5","","Banerjee, Manish; Srinivasan, Nagendra Babu; Zhu, Huaizhi; Kim, Sun Ja; Xu, Ke; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; de los Arcos, Teresa; Bekermann, Daniela; Barreca, Davide; Fischer, Roland A.; Devi, Anjana","Fabrication of ZrO2and ZrN Films by Metalorganic Chemical Vapor Deposition Employing New Zr Precursors","Crystal Growth & Design","2012","12","10","5079","","10.1021/cg3010147","","","0.71073","MoKα","","0.0905","0.0511","","","0.1013","0.1176","","","","","","1.028","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506887","10.3375","0.0006","15.2574","0.0015","15.087","0.0015","90","","91.745","0.007","90","","2378.5","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Co2 N8 O18 -","- C42 H50 Co2 N8 O18 -","- C84 H100 Co4 N16 O36 -","2","1","","Banerjee, Manish; Srinivasan, Nagendra Babu; Zhu, Huaizhi; Kim, Sun Ja; Xu, Ke; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; de los Arcos, Teresa; Bekermann, Daniela; Barreca, Davide; Fischer, Roland A.; Devi, Anjana","Fabrication of ZrO2and ZrN Films by Metalorganic Chemical Vapor Deposition Employing New Zr Precursors","Crystal Growth & Design","2012","12","10","5079","","10.1021/cg3010147","","x-ray","0.71073","Mokα","","0.0711","0.0422","","","0.0868","0.0955","","","","","","1","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506888","21.679","0.004","10.889","0.002","20.104","0.004","90","","120.43","0.03","90","","4092.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Co N2 O4 -","- C21 H17 Co N2 O4 -","- C168 H136 Co8 N16 O32 -","8","1","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.0581","0.0525","","","0.13","0.134","","","","","","1.175","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506889","22.412","0.004","8.397","0.0017","16.207","0.003","90","","100.8","0.03","90","","2996","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Co N4 O5 -","- C32 H26 Co N4 O5 -","- C128 H104 Co4 N16 O20 -","4","0.5","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.0612","0.058","","","0.1562","0.1602","","","","","","1.112","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506890","16.173","0.003","17.917","0.004","18.017","0.004","90","","90","","90","","5220.8","1.9","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H28 Co N4 O5 -","- C29 H30 Co N4 O5 -","- C232 H240 Co8 N32 O40 -","8","0.5","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.0542","0.052","","","0.1106","0.112","","","","","","1.252","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506891","17.834","0.004","18.075","0.004","16.151","0.003","90","","90","","90","","5206.3","1.9","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H30 N4 O5 Zn -","- C29 H30 N4 O5 Zn -","- C232 H240 N32 O40 Zn8 -","8","0.5","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.1039","0.0702","","","0.1577","0.1824","","","","","","1.147","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506892","11.622","0.002","17.483","0.004","17.525","0.004","90","","93.95","0.03","90","","3552.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 N4 O10 Zn2 -","- C37 H36 N4 O10 Zn2 -","- C148 H144 N16 O40 Zn8 -","4","1","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.1788","0.0909","","","0.1029","0.1332","","","","","","1.022","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506893","6.0664","0.0003","14.14","0.0005","12.0036","0.0005","90","","90.228","0.002","90","","1029.65","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-fluoro-N-(4-fluorobenzylidene)aniline","","- C13 H9 F2 N -","- C13 H9 F2 N -","- C52 H36 F8 N4 -","4","2","","Kaur, Gurpreet; Panini, Piyush; Chopra, Deepak; Roy Choudhury, Angshuman","Structural Investigation of Weak Intermolecular Interactions in Fluorine Substituted IsomericN-Benzylideneanilines","Crystal Growth & Design","2012","12","10","5096","","10.1021/cg3010294","","","0.71073","MOKα","","0.0281","0.026","","","0.0655","0.0669","","","","","","1.079","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506894","11.9029","0.0003","7.65","0.0002","18.0677","0.0005","90","","97.23","0.002","90","","1632.11","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H55 N3 O3 -","- C33 H55 N3 O3 -","- C66 H110 N6 O6 -","2","1","","Hou, Xiaodong; Schober, Matthew; Chu, Qianli","A Chiral Nanosheet Connected by Amide Hydrogen Bonds","Crystal Growth & Design","2012","12","11","5159","","10.1021/cg301030f","","","0.71073","MoKα","","0.0839","0.0561","","","0.1366","0.1647","","","","","","1.091","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506895","12.2508","0.0004","6.9026","0.0002","33.657","0.001","90","","98.418","0.002","90","","2815.45","0.15","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 N3 O3 -","- C30 H45 N3 O3 -","- C120 H180 N12 O12 -","4","1","","Hou, Xiaodong; Schober, Matthew; Chu, Qianli","A Chiral Nanosheet Connected by Amide Hydrogen Bonds","Crystal Growth & Design","2012","12","11","5159","","10.1021/cg301030f","","","0.71073","MoKα","","0.1333","0.0942","","","0.2589","0.2964","","","","","","1.033","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506896","21.309","0.004","23.981","0.005","16.055","0.003","90","","90","","90","","8204","3","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C8 H12.5 Cd2 K0.5 N6 O13.5 -","- C8 Cd2 K0.5 N6 O13.5125 -","- C128 Cd32 K8 N96 O216.2 -","16","1","","Zhao, Tingting; Jing, Xuemin; Wang, Jing; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two 3D Porous Metal‒Organic Frameworks Based on 1,2,3-Triazole-4,5-dicarboxylate Exhibiting Novel Coordination Modes","Crystal Growth & Design","2012","12","11","5456","","10.1021/cg301041n","","","0.71073","MoKα","","0.0926","0.0484","","","0.1149","0.1395","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506897","22.5557","0.0003","22.5557","0.0003","22.5557","0.0003","90","","90","","90","","11475.4","0.3","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C12 H11 Cu4 N9 O17 -","- C12 Cu4 N9 O17 -","- C96 Cu32 N72 O136 -","8","0.166667","","Zhao, Tingting; Jing, Xuemin; Wang, Jing; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two 3D Porous Metal‒Organic Frameworks Based on 1,2,3-Triazole-4,5-dicarboxylate Exhibiting Novel Coordination Modes","Crystal Growth & Design","2012","12","11","5456","","10.1021/cg301041n","","","0.71073","MoKα","","0.1257","0.0647","","","0.1567","0.206","","","","","","1.107","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506898","14.2649","0.0003","12.8066","0.0002","6.6816","0.0001","90","","102.447","0.003","90","","1191.94","0.04","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 F3 N O5 P Zr -","- C8 F3 N O5 P Zr -","- C32 F12 N4 O20 P4 Zr4 -","4","1","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.10277","","3.37","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506899","12.8478","0.0009","12.851","0.0005","6.6366","0.0006","90","","90.386","0.009","90","","1095.72","0.13","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 F2 N O5 P Zr -","- C8 F2 N O5 P Zr -","- C32 F8 N4 O20 P4 Zr4 -","4","1","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.14563","","4.84","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506900","17.6407","0.0008","13.0625","0.0006","9.9599","0.0005","90","","97.727","0.006","90","","2274.24","0.19","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 F2 N O5 P Zr -","- C8 F2 N O5 P Zr -","- C64 F16 N8 O40 P8 Zr8 -","8","2","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.10925","","8.85","","","","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506901","20.413","0.005","20.413","0.005","20.413","0.005","90","","90","","90","","8506","4","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C24 H36 N2 O14 Zn -","- C12 H4 O8 Zn -","- C144 H48 O96 Zn12 -","12","0.25","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0549","0.0503","","","0.1441","0.1457","","","","","","1.097","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506902","16.965","0.004","15.5171","0.0013","14.0726","0.0014","90","","108.119","0.018","90","","3520.9","1","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C37 H36 N3 O19 Zn3 -","- C33 H20 N O19 Zn3 -","- C66 H40 N2 O38 Zn6 -","2","0.5","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0991","0.073","","","0.1967","0.2135","","","","","","0.891","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506903","14.2247","0.0005","32.481","0.003","15.5954","0.0009","90","","90","","90","","7205.6","0.8","100","2","100","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C41 H47 N3 O18 Zn3 -","- C39 H39 N2 O18 Zn3 -","- C156 H156 N8 O72 Zn12 -","4","0.25","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.1114","0.0884","","","0.2662","0.2758","","","","","","1.05","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506904","43.8139","0.0008","43.8139","0.0008","17.2006","0.0003","90","","90","","120","","28595.5","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C49 H57 N7 O24 Zn3 -","- C49 H57 N7 O24 Zn3 -","- C882 H1026 N126 O432 Zn54 -","18","1","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0697","0.053","","","0.1422","0.1467","","","","","","1.034","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506905","23.314","0.002","14.4189","0.0015","18.072","0.002","90","","105.571","0.01","90","","5852.2","1.1","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C39 H39 N3 O22 Zn4 -","- C37 H31 N2 O22 Zn4 -","- C148 H124 N8 O88 Zn16 -","4","0.5","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0829","0.0703","","","0.2084","0.2212","","","","","","1.108","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506906","18.5152","0.0004","15.2446","0.0003","21.4278","0.0005","90","","100.999","0.002","90","","5937","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C41 H41 N3 O22 Zn4 -","- C39 H33 N2 O22 Zn4 -","- C156 H132 N8 O88 Zn16 -","4","0.5","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0923","0.0648","","","0.1923","0.1994","","","","","","1.075","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506907","10.856","0.002","11.111","0.002","17.56","0.004","90","","90","","90","","2118.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(5-(anthracen-10-yl)-3-(4-methoxyphenyl)- 4,5-dihydropyrazol-1-yl) ethanone","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Dong, Baoli; Wang, Mingliang; Xu, Chunxiang; Feng, Qi; Wang, Yan","Tuning Solid-State Fluorescence of a Twisted π-Conjugated Molecule by Regulating the Arrangement of Anthracene Fluorophores","Crystal Growth & Design","2012","12","12","5986","","10.1021/cg301055j","","","0.71073","MoKα","","0.0768","0.0528","","","0.1111","0.122","","","","","","1.055","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506908","8.2824","0.0019","11.048","0.003","14.035","0.003","86.649","0.003","76.491","0.003","70.242","0.003","1174.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(5-(anthracen-10-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone, acetic acid solvate","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Dong, Baoli; Wang, Mingliang; Xu, Chunxiang; Feng, Qi; Wang, Yan","Tuning Solid-State Fluorescence of a Twisted π-Conjugated Molecule by Regulating the Arrangement of Anthracene Fluorophores","Crystal Growth & Design","2012","12","12","5986","","10.1021/cg301055j","","","0.71073","MoKα","","0.0606","0.0474","","","0.1428","0.1528","","","","","","1.062","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506909","10.343","0.002","10.623","0.002","12.106","0.002","93","0.03","91.92","0.03","113.69","0.03","1214.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(5-(anthracen-10-yl)-3-(4-methoxyphenyl)- 4,5-dihydropyrazol-1-yl) ethanone.propane diacid cocrystal","","- C29 H26 N2 O6 -","- C29 H26 N2 O6 -","- C58 H52 N4 O12 -","2","1","","Dong, Baoli; Wang, Mingliang; Xu, Chunxiang; Feng, Qi; Wang, Yan","Tuning Solid-State Fluorescence of a Twisted π-Conjugated Molecule by Regulating the Arrangement of Anthracene Fluorophores","Crystal Growth & Design","2012","12","12","5986","","10.1021/cg301055j","","","0.71073","MoKα","","0.0797","0.0559","","","0.1394","0.1516","","","","","","1.009","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506910","52.91","0.002","52.91","0.002","48.89","0.002","90","","90","","90","","136866","9","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C274 H198 N24 Na12.62 Ni6 O135.26 S16 -","- C274 H198 N24 Na12.6 Ni6 O135.2 S16 -","- C2192 H1584 N192 Na100.8 Ni48 O1081.6 S128 -","8","0.5","","Brancatelli, Giovanna; De Zorzi, Rita; Hickey, Neal; Siega, Patrizia; Zingone, Guglielmo; Geremia, Silvano","New Multicomponent Porous Architecture of Self-Assembled Porphyrins/Calixarenes Driven by Nickel Ions","Crystal Growth & Design","2012","12","10","5111","","10.1021/cg3010689","","","1","","","0.2034","0.1445","","","0.3371","0.3585","","","","","","1.704","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4506911","12.3806","0.0008","8.0655","0.0006","12.5124","0.0008","90","","90.292","0.006","90","","1249.42","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O3 S -","- C12 H10 N4 O3 S -","- C48 H40 N16 O12 S4 -","4","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0682","0.0602","","","0.1497","0.1566","","","","","","1.042","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506912","14.3545","0.0008","7.5483","0.0004","12.3239","0.0006","90","","102.86","0.005","90","","1301.83","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O4 S -","- C12 H10 N4 O4 S -","- C48 H40 N16 O16 S4 -","4","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0574","0.0479","","","0.1332","0.1501","","","","","","1.101","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506913","11.0569","0.0003","13.1725","0.0003","15.5061","0.0004","90","","90","","90","","2258.42","0.1","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H14 N6 S -","- C9 H14 N6 S -","- C72 H112 N48 S8 -","8","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0399","0.033","","","0.0855","0.0907","","","","","","1.048","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506914","11.481","0.0007","12.1759","0.0006","12.0078","0.0007","90","","90","","90","","1678.59","0.16","150","2","150","10","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H18 N10 S2 -","- C14 H18 N10 S2 -","- C56 H72 N40 S8 -","4","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0459","0.0428","","","0.1138","0.1162","","","","","","1.054","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506915","11.9558","0.0013","13.9593","0.0015","14.9742","0.0016","75.258","0.004","82.855","0.004","88.532","0.004","2398","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 N16 O18 Pd2 -","- C34 H52 N16 O18 Pd2 -","- C68 H104 N32 O36 Pd4 -","2","1","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.085","0.0493","","","0.1326","0.1557","","","","","","1.025","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506916","13.275","0.009","15.216","0.016","15.513","0.009","110.66","0.03","104.68","0.02","101.53","0.03","2688","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H71 Cl3 N14 O15 Pd2 -","- C40 H71 Cl3 N14 O15 Pd2 -","- C80 H142 Cl6 N28 O30 Pd4 -","2","1","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.1451","0.0736","","","0.2072","0.2738","","","","","","0.819","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506917","13.7721","0.0011","14.3283","0.0011","15.2061","0.0011","72.723","0.003","78.255","0.003","76.979","0.003","2761.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl4 N12 O19 Pd2 -","- C42 H36 Cl4 N12 O18 Pd2 -","- C84 H72 Cl8 N24 O36 Pd4 -","2","1","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.1292","0.073","","","0.2204","0.2547","","","","","","1.044","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506918","12.1745","0.0014","15.9854","0.0019","16.9763","0.0018","66.886","0.003","74.165","0.004","69.919","0.003","2817.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 N30 O19 Pd4 -","- C96 H76 N30 O19 Pd4 -","- C96 H76 N30 O19 Pd4 -","1","0.5","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.1944","0.1107","","","0.2935","0.3732","","","","","","0.958","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506919","21.126","0.003","24.369","0.003","23.647","0.003","90","","104.945","0.006","90","","11762","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl3 N12 O16 Pd2 -","- C46 H36 Cl3 N12 O16 Pd2 -","- C368 H288 Cl24 N96 O128 Pd16 -","8","2","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.4013","0.2455","","","0.5785","0.6308","","","","","","1.789","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506920","16.3455","0.0012","9.9361","0.0005","12.1419","0.0007","90","","99.233","0.007","90","","1946.4","0.2","95","","95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N16 O16 -","- C8 H10 N16 O16 -","- C32 H40 N64 O64 -","4","1","","Bolton, Onas; Simke, Leah R.; Pagoria, Philip F.; Matzger, Adam J.","High Power Explosive with Good Sensitivity: A 2:1 Cocrystal of CL-20:HMX","Crystal Growth & Design","2012","12","9","4311","","10.1021/cg3010882","","","1.54187","CuKα","","","0.038","","","","0.1162","","","","","","1.099","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506921","12.2428","0.0008","67.775","0.005","12.2969","0.0008","90","","107.103","0.001","90","","9752.2","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C180 H253 Cd6 N18 O57.5 -","- C180 H228 Cd6 N18 O57.5 -","- C360 H456 Cd12 N36 O115 -","2","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.1077","0.0712","","","0.1495","0.1687","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506922","19.0413","0.0019","23.213","0.002","7.1223","0.0007","90","","90","","90","","3148.1","0.5","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H33 Cd Cl N6 O8 -","- C30 H33 Cd Cl N6 O8 -","- C120 H132 Cd4 Cl4 N24 O32 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0584","0.0493","","","0.1317","0.1375","","","","","","1.056","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506923","9.2562","0.0006","14.393","0.001","24.2543","0.0017","90","","90.878","0.001","90","","3230.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H78 N6 O18 Zn4 -","- C60 H78 N6 O18 Zn4 -","- C120 H156 N12 O36 Zn8 -","2","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0608","0.0514","","","0.1253","0.131","","","","","","1.08","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506924","19.261","0.002","34.341","0.004","13.6935","0.0015","90","","90","","90","","9057.5","1.7","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H116 N12 Ni4 O28 -","- C80 H92 N12 Ni4 O16 -","- C320 H368 N48 Ni16 O64 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0949","0.0788","","","0.2109","0.2235","","","","","","0.993","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506925","19.028","0.003","12.8531","0.0017","13.5044","0.0018","90","","105.871","0.002","90","","3176.9","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Co2 N3 O9 -","- C30 H39 Co2 N3 O9 -","- C120 H156 Co8 N12 O36 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0943","0.0679","","","0.1731","0.193","","","","","","1.041","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506926","18.868","0.006","12.86","0.004","13.36","0.004","90","","106.562","0.006","90","","3107.2","1.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Cu2 N3 O9 -","- C30 H39 Cu2 N3 O9 -","- C120 H156 Cu8 N12 O36 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.1194","0.0803","","","0.2245","0.2501","","","","","","1.068","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506927","20.131","0.002","24.767","0.003","26.928","0.003","90","","90","","90","","13426","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C45 H34 Co2 N4 O12 -","- C45 H34 Co2 N4 O12 -","- C360 H272 Co16 N32 O96 -","8","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1473","0.1002","","","0.2857","0.307","","","","","","1.046","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506928","9.0384","0.001","16.3407","0.0018","18.505","0.002","73.394","0.002","76.394","0.002","86.298","0.002","2545.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H37 Co2 N6 O16 -","- C51 H37 Co2 N6 O16 -","- C102 H74 Co4 N12 O32 -","2","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1811","0.0998","","","0.2865","0.3313","","","","","","0.978","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506929","20.93","0.002","52.18","0.005","30.679","0.003","90","","104.625","0.002","90","","32420","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H76 Co4 N8 O24 -","- C102 H76 Co4 N8 O24 -","- C816 H608 Co32 N64 O192 -","8","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1641","0.0495","","","0.0954","0.1036","","","","","","0.959","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506930","26.658","0.002","26.658","0.002","8.479","0.0006","90","","90","","90","","6025.6","0.8","106","2","106","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C17.25 H13 Co0.5 N2 O3 -","- C17.25 H11 Co0.5 N2 O3 -","- C276 H176 Co8 N32 O48 -","16","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1116","0.0949","","","0.2698","0.2952","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506931","9.644","0.0008","10.2113","0.0008","10.4677","0.0009","102.075","0.002","116.625","0.002","106.28","0.002","814.46","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cu N6 O8 -","- C26 H22 Cu N6 O8 -","- C26 H22 Cu N6 O8 -","1","0.5","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0568","0.0431","","","0.1027","0.1094","","","","","","0.969","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506932","8.2254","0.0004","11.6133","0.0006","14.3603","0.0008","76.278","0.002","86.541","0.002","76.787","0.002","1297.3","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cu N8 O8 -","- C22 H30 Cu N8 O8 -","- C44 H60 Cu2 N16 O16 -","2","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0401","0.0314","","","0.0792","0.0844","","","","","","1.07","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506933","8.8618","0.0013","9.47","0.0014","12.5265","0.0018","102.496","0.004","93.441","0.004","94.785","0.004","1019.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Cu N7 O9 -","- C15 H16 Cu N7 O8 -","- C30 H32 Cu2 N14 O16 -","2","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0823","0.0491","","","0.0882","0.0987","","","","","","1.006","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506934","8.3131","0.0008","8.4982","0.0008","8.8252","0.0008","69.901","0.002","86.713","0.002","82.023","0.002","579.8","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O10 -","- C18 H20 Cu N6 O10 -","- C18 H20 Cu N6 O10 -","1","0.5","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0531","0.0435","","","0.1251","0.1329","","","","","","1.093","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506935","18.4348","0.0009","7.949","0.0004","15.9297","0.0008","90","","90","","90","","2334.3","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H30 Cu N6 O10 -","- C19 H30 Cu N6 O10 -","- C76 H120 Cu4 N24 O40 -","4","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0343","0.0283","","","0.0635","0.0662","","","","","","0.992","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506936","9.5396","0.0008","9.7085","0.0008","12.6295","0.0012","74.927","0.002","76.612","0.002","87.388","0.002","1098.61","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cu N7 O8 -","- C16 H20 Cu N7 O8 -","- C32 H40 Cu2 N14 O16 -","2","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0437","0.0333","","","0.0776","0.0822","","","","","","1.029","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506937","12.1664","0.0004","13.0392","0.0005","13.1697","0.0005","93.064","0.003","107.195","0.003","96.601","0.003","1974.2","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H55 Cu3 N12 O11 P4 -","- C29 H55 Cu3 N12 O11 P4 -","- C58 H110 Cu6 N24 O22 P8 -","2","1","","Smoleński, Piotr; Kłak, Julia; Nesterov, Dmytro S.; Kirillov, Alexander M.","Unique Mixed-Valence Cu(I)/Cu(II) Coordination Polymer with New Topology of Bitubular 1D Chains Driven by 1,3,5-Triaza-7-phosphaadamantane (PTA)","Crystal Growth & Design","2012","12","12","5852","","10.1021/cg301107k","","","0.71073","MoKα","","0.0738","0.0379","","","0.0739","0.0782","","","","","","0.908","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506938","7.506","0.004","11.972","0.007","15.631","0.009","86.158","0.01","79.073","0.01","81.553","0.01","1363.1","1.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H60 Cu2 N4 O24 P6 -","- C44 H56 Cu2 N4 O24 P6 -","- C44 H56 Cu2 N4 O24 P6 -","1","0.5","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0701","0.0533","","","0.117","0.1252","","","","","","1.052","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506939","9.9084","0.0017","17.024","0.003","16.134","0.003","90","","106.403","0.002","90","","2610.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Cu2 N4 O22 P6 -","- C44 H50 Cu2 N4 O22 P6 -","- C88 H100 Cu4 N8 O44 P12 -","2","0.5","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0347","0.0322","","","0.0895","0.0913","","","","","","1.029","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506940","7.434","0.0008","11.6079","0.0013","13.8609","0.0016","99.406","0.002","92.522","0.002","97.815","0.002","1166.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cu2 N4 O20 P4 -","- C40 H48 Cu2 N4 O20 P4 -","- C40 H48 Cu2 N4 O20 P4 -","1","0.5","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0316","0.0296","","","0.0832","0.0847","","","","","","1.048","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506941","9.9763","0.0011","10.171","0.0011","11.3001","0.0013","110.125","0.002","108.317","0.002","92.168","0.002","1008.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cu N2 O7 P2 -","- C18 H19 Cu N2 O7 P2 -","- C36 H38 Cu2 N4 O14 P4 -","2","1","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.042","0.0342","","","0.0894","0.0925","","","","","","1.047","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506942","10.725","0.004","10.896","0.004","11.456","0.004","66.984","0.006","64.714","0.005","84.486","0.006","1110.1","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cu N2 O9 P2 -","- C20 H22 Cu N2 O9 P2 -","- C40 H44 Cu2 N4 O18 P4 -","2","1","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0786","0.0607","","","0.1521","0.1628","","","","","","1.056","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506943","11.13","0.006","12.406","0.007","13.926","0.007","71.952","0.008","72.257","0.008","64.876","0.007","1621.4","1.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cu2 Mo2 N4 O14 P2 -","- C28 H26 Cu2 Mo2 N4 O14 P2 -","- C56 H52 Cu4 Mo4 N8 O28 P4 -","2","1","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0333","0.0291","","","0.0704","0.0726","","","","","","1.065","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506944","29.597","0.002","12.3396","0.0007","8.1299","0.0004","90","","94.17","0.005","90","","2961.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cu2 N5 O9 -","- C30 H26 Cu2 N5 O9 -","- C120 H104 Cu8 N20 O36 -","4","1","","Liu, Juan; Tan, Yan-Xi; Zhang, Jian","Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers","Crystal Growth & Design","2012","12","11","5164","","10.1021/cg301120b","","","0.71073","MoKα","","0.1035","0.0608","","","0.1379","0.1574","","","","","","1.055","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506945","9.2091","0.0007","22.7532","0.0016","23.0902","0.0012","90","","90","","90","","4838.2","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C43 H41 Cu3 N8 O10 -","- C43 H41 Cu3 N8 O10 -","- C172 H164 Cu12 N32 O40 -","4","0.5","","Liu, Juan; Tan, Yan-Xi; Zhang, Jian","Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers","Crystal Growth & Design","2012","12","11","5164","","10.1021/cg301120b","","","0.71073","MoKα","","0.1601","0.0851","","","0.2323","0.2755","","","","","","1.011","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506946","13.1172","0.001","14.4753","0.0007","12.7126","0.0009","90","","105.262","0.007","90","","2328.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cu N4 O5 -","- C23 H23 Cu N4 O5 -","- C92 H92 Cu4 N16 O20 -","4","1","","Liu, Juan; Tan, Yan-Xi; Zhang, Jian","Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers","Crystal Growth & Design","2012","12","11","5164","","10.1021/cg301120b","","","0.71073","MoKα","","0.0994","0.0785","","","0.2228","0.235","","","","","","1.1","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506947","8.4345","0.0007","18.6369","0.0015","11.8554","0.0009","90","","109.105","0.002","90","","1760.9","0.2","200","2","200","2","","","101.325","","","","Synthesis","5","P 1 21 1","P 2yb","4","Cyclic Thizole Peptide","Tricyclic Phenylalanine Thiazole Peptide","","- C37 H34 N3 O4 S3 -","- C37 H34 N6 O4 S3 -","- C74 H68 N12 O8 S6 -","2","1","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0324","0.03","","","0.0536","0.054","","","","","","1.87","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506948","12.3387","0.0016","12.3708","0.0016","15.603","0.002","74.361","0.002","85.392","0.003","60.48","0.002","1991.8","0.4","100","2","100","2","","","101.325","","","","Synthesis","5","P 1","P 1","1","Cyclic Thiazole Peptide","Tricyclic Phenylalanine Thiazole Peptide","","- C43 H38 N6 O3 S3 -","- C43 H38 N6 O3 S3 -","- C86 H76 N12 O6 S6 -","2","2","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0639","0.0467","","","0.102","0.1095","","","","","","1.014","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506949","12.3346","0.0012","12.428","0.0013","15.3231","0.0016","76.445","0.002","85.581","0.002","60.33","0.002","1982","0.4","100","2","100","2","","","101.325","","","","","6","P 1","P 1","1","Cyclic Thiazole peptide","Tricyclic Phethiazole peptide","","- C42 H35 Cl N6 O3 S3 -","- C42 H35 Cl N6 O3 S3 -","- C84 H70 Cl2 N12 O6 S6 -","2","2","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0401","0.0398","","","0.1059","0.1063","","","","","","1.022","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506950","12.415","0.0012","12.415","0.0012","44.499","0.005","90","","90","","120","","5939.8","1.1","200","2","200","2","","","101.325","","","","Synthesis","5","P 32","P 32","145","Tricyclic Phethiazole peptide","Tricyclic Phethiazole peptide","","- C40 H38 N6 O5 S3 -","- C40 H38 N6 O5 S3 -","- C240 H228 N36 O30 S18 -","6","2","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0849","0.0641","","","0.1495","0.1622","","","","","","1.081","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506951","10.477","0.003","18.005","0.005","22.648","0.006","90","","90","","90","","4272","2","100","2","100","2","","","101.325","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","Cyclic peptide","Tyrosine tricyclic Thz peptide","","- C46 H44 N6 O6 S3 -","- C46 H44 N6 O6 S3 -","- C184 H176 N24 O24 S12 -","4","1","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0375","0.033","","","0.0876","0.091","","","","","","1.07","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506952","15.976","0.005","10.016","0.003","17.742","0.005","90","","105.468","0.005","90","","2736.2","1.4","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cd3 N8 O18 -","- C52 H44 Cd3 N8 O18 -","- C104 H88 Cd6 N16 O36 -","2","0.5","","Guo, Jie; Sun, Di; Zhang, Liangliang; Yang, Qiao; Zhao, Xiaoliang; Sun, Daofeng","Cadmium‒Organic Coordination Polymers Based on N-Donor Ligands and Small Anions: Syntheses, Crystal Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","11","5649","","10.1021/cg301148p","","","0.71073","MoKα","","0.0442","0.0314","","","0.0834","0.1086","","","","","","1.175","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506953","16.135","0.003","17.894","0.004","13.461","0.003","90","","92.118","0.003","90","","3883.8","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cd2 N16 O14 -","- C30 H28 Cd2 N16 O14 -","- C120 H112 Cd8 N64 O56 -","4","0.5","","Guo, Jie; Sun, Di; Zhang, Liangliang; Yang, Qiao; Zhao, Xiaoliang; Sun, Daofeng","Cadmium‒Organic Coordination Polymers Based on N-Donor Ligands and Small Anions: Syntheses, Crystal Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","11","5649","","10.1021/cg301148p","","","0.71073","MoKα","","0.0414","0.0276","","","0.0644","0.07","","","","","","1.032","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506954","12.777","0.003","10.638","0.002","21.391","0.004","90","","90","","90","","2907.5","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2,4,5-tetrakis-perfluorobutyl-benzene","","","- C22 H2 F36 -","- C22 H2 F36 -","- C88 H8 F144 -","4","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.0779","0.0738","","","0.1692","0.1711","","","","","","1.317","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506955","17.054","0.003","5.6576","0.001","17.726","0.003","90","","90.796","0.002","90","","1710.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,3,6,8-tetrakis(nonafluorobutyl)pyrene","","","- C32 H6 F36 -","- C32 H6 F36 -","- C64 H12 F72 -","2","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.1013","0.0798","","","0.2133","0.2357","","","","","","1.071","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506956","6.2272","0.0008","15.073","0.002","15.876","0.002","83.884","0.002","86.413","0.002","88.345","0.002","1478.4","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","TetraC8F17anthracene","2,6,9,10-tetraperfluorooctyl anthracene","","- C46 H6 F68 -","- C46 H6 F68 -","- C46 H6 F68 -","1","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.1456","0.0895","","","0.2423","0.2862","","","","","","1.065","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506957","10.0692","0.0019","10.54","0.002","23.903","0.005","90","","90","","90","","2536.8","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","3,8-bis-perfluorobuytl-1,10-phenanthroline","","","- C21 H7 Cl3 F18 N2 -","- C21 H7 Cl3 F18 N2 -","- C84 H28 Cl12 F72 N8 -","4","1","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.0566","0.054","","","0.1406","0.1441","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506958","5.0202","0.0015","5.2709","0.0016","18.535","0.006","85.068","0.003","85.602","0.003","88.84","0.003","487.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4'-di-perfluorobutyl-2,2'-bipyridine","","","- C18 H6 F18 N2 -","- C18 H6 F18 N2 -","- C18 H6 F18 N2 -","1","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.0368","0.0347","","","0.0885","0.0896","","","","","","1.15","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506959","8.0013","0.0004","4.5675","0.0002","9.0794","0.0006","90","","101.639","0.006","90","","324.99","0.03","100","0.3","100","0.3","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite II","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Piechota, Jacek; Żukowska, Grażyna Z.; Zalewska, Aldona; Zachara, Janusz","As2O3Polymorphs: Theoretical Insight into Their Stability and Ammonia Templated Claudetite II Crystallization","Crystal Growth & Design","2012","12","11","5663","","10.1021/cg3011579","","","0.71073","MoKα","","0.0318","0.0266","","","0.0575","0.0601","","","","","","1.08","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506960","8.0131","0.0014","4.5717","0.0007","9.1154","0.0015","90","","101.831","0.018","90","","326.84","0.1","298","0.1","298","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite II","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Piechota, Jacek; Żukowska, Grażyna Z.; Zalewska, Aldona; Zachara, Janusz","As2O3Polymorphs: Theoretical Insight into Their Stability and Ammonia Templated Claudetite II Crystallization","Crystal Growth & Design","2012","12","11","5663","","10.1021/cg3011579","","","0.71073","MoKα","","0.0298","0.0255","","","0.0547","0.0565","","","","","","1.04","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506961","10.2638","0.0013","8.961","0.0011","15.866","0.002","90","","98.206","0.002","90","","1444.3","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C64 H76 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0415","0.0369","","","0.0873","0.0909","","","","","","1.033","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506962","10.9861","0.0008","9.1163","0.0007","14.2512","0.0011","90","","100.187","0.001","90","","1404.79","0.18","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H38 N2 O2 -","- C33 H38 N2 O2 -","- C66 H76 N4 O4 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0386","0.033","","","0.068","0.0708","","","","","","1.036","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506963","5.837","0.003","14.312","0.006","22.631","0.01","90","","90","","90","","1890.6","1.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.1088","0.0604","","","0.13","0.1553","","","","","","0.948","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506964","15.381","0.0008","16.9537","0.0008","27.1224","0.0013","90","","90","","90","","7072.6","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C312 H384 N24 O24 -","12","3","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0766","0.0447","","","0.0941","0.1063","","","","","","1.013","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506965","10.383","0.0009","8.9794","0.0008","30.831","0.003","90","","99.111","0.001","90","","2838.2","0.4","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O3 -","- C30 H42 N2 O3 -","- C120 H168 N8 O12 -","4","2","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0477","0.0413","","","0.109","0.1135","","","","","","1.273","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506966","10.0377","0.0007","9.2231","0.0006","15.3376","0.001","90","","101.249","0.001","90","","1392.66","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O3 -","- C30 H42 N2 O3 -","- C60 H84 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0354","0.0331","","","0.0768","0.0783","","","","","","1.003","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506967","8.854","0.002","9.526","0.002","35.751","0.008","90","","90","","90","","3015.4","1.1","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 N2 O3 -","- C33 H40 N2 O3 -","- C132 H160 N8 O12 -","4","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.1937","0.0584","","","0.1074","0.1678","","","","","","0.929","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506968","9.5874","0.0007","9.164","0.0007","17.6153","0.0013","90","","93.37","0.001","90","","1545","0.2","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H44 N2 O3 -","- C35 H44 N2 O3 -","- C70 H88 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0366","0.0329","","","0.0702","0.0722","","","","","","1.031","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506969","9.192","0.0005","9.7676","0.0006","17.7719","0.001","94.216","0.002","90.984","0.003","92.364","0.003","1589.63","0.16","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C36 H46 N2 O3 -","- C36 H46 N2 O3 -","- C72 H92 N4 O6 -","2","2","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","1.54178","CuKα","","0.0884","0.0869","","","0.2193","0.2231","","","","","","1.041","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506970","9.6097","0.0002","9.3101","0.0002","17.5278","0.0003","90","","93.71","0.001","90","","1564.88","0.05","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H43 Cl N2 O3 -","- C35 H43 Cl N2 O3 -","- C70 H86 Cl2 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","1.54178","CuKα","","0.0447","0.0443","","","0.1211","0.1217","","","","","","1.059","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506971","14.55","0.001","14.55","0.001","29.538","0.003","90","","90","","120","","5415.5","0.8","150","2","150","2","","","","","","","","5","P 64","P 64","172","Hexagram-Type Topology Lamivudine Duplex","lamivudine 0.67-hydrate","","- C24 H37 N9 O11 S3 -","- C24 H37 N9 O11 S3 -","- C144 H222 N54 O66 S18 -","6","1","","Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T.","Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology","Crystal Growth & Design","2012","12","10","5138","","10.1021/cg3011794","","","0.71073","MoKα","","0.1574","0.0939","","","0.2395","0.2677","","","","","","1.049","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506972","6.972","0.005","12.167","0.007","13.867","0.008","100.52","0.03","93.15","0.04","91.43","0.04","1154.1","1.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","lamivudine hemihydrochloride hemihydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hemihydrochloride hemihydrate","","- C16 H25 Cl N6 O7 S2 -","- C16 H25 Cl N6 O7 S2 -","- C32 H50 Cl2 N12 O14 S4 -","2","2","","Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T.","Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology","Crystal Growth & Design","2012","12","10","5138","","10.1021/cg3011794","","","0.71073","MoKα","","0.1909","0.1039","","","0.2429","0.2912","","","","","","1.098","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506973","24","0.003","11.0768","0.0014","34.991","0.005","90","","99.66","0.002","90","","9170","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H76 Mn3 N4 O23 -","- C68 H64 Mn3 N4 O23 -","- C272 H256 Mn12 N16 O92 -","4","0.5","","Yi, Fei-Yan; Sun, Zhong-Ming","Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","11","5693","","10.1021/cg3011844","","","0.71073","MoKα","","0.0793","0.0631","","","0.1942","0.207","","","","","","1.095","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506974","26.418","0.0014","10.3733","0.0006","34.2804","0.0018","90","","103.138","0.001","90","","9148.4","0.9","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C82 H112 Mn3 N10 O31 -","- C82 H110 Mn3 N10 O31 -","- C328 H440 Mn12 N40 O124 -","4","1","","Yi, Fei-Yan; Sun, Zhong-Ming","Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","11","5693","","10.1021/cg3011844","","","0.71073","MoKα","","0.0706","0.0552","","","0.1405","0.153","","","","","","1.003","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506975","24.2334","0.0019","11.3031","0.0009","36.079","0.003","90","","98.213","0.002","90","","9781.1","1.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 Mn3 N O22 -","- C55 H51 Mn3 N O22 -","- C220 H204 Mn12 N4 O88 -","4","1","","Yi, Fei-Yan; Sun, Zhong-Ming","Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","11","5693","","10.1021/cg3011844","","","0.71073","MoKα","","0.0772","0.0433","","","0.0824","0.0871","","","","","","0.912","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506976","12.1981","0.0013","4.6782","0.0005","15.3941","0.0013","90","","122.302","0.006","90","","742.52","0.14","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C13 H14 Cl2 N4 O Zn -","- C13 H14 Cl2 N4 O Zn -","- C26 H28 Cl4 N8 O2 Zn2 -","2","0.5","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0232","0.0218","","","0.0683","0.07","","","","","","1.137","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506977","25.141","0.006","9.081","0.002","18.154","0.004","90","","103.459","0.003","90","","4030.8","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cl2 N4 O Zn -","- C19 H20 Cl2 N4 O Zn -","- C152 H160 Cl16 N32 O8 Zn8 -","8","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0914","0.0673","","","0.208","0.2942","","","","","","1.335","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506978","24.0201","0.0011","17.8559","0.0008","18.0012","0.0008","90","","90.163","0.001","90","","7720.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Cl4 N8 O2 Zn2 -","- C34 H38 Cl4 N8 O2 Zn2 -","- C272 H304 Cl32 N64 O16 Zn16 -","8","2","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0927","0.065","","","0.1337","0.1428","","","","","","1.149","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506979","13.0778","0.001","9.3016","0.0007","16.7013","0.0012","90","","107.963","0.002","90","","1932.6","0.3","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C34 H38 Cl4 N8 O2 Zn2 -","- C34 H38 Cl4 N8 O2 Zn2 -","- C68 H76 Cl8 N16 O4 Zn4 -","2","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0483","0.0361","","","0.069","0.0737","","","","","","0.967","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506980","16.664","0.003","13.496","0.002","15.194","0.002","90","","114.342","0.004","90","","3113.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl4 N8 O2 Zn2 -","- C26 H25 Cl4 N8 O2 Zn2 -","- C104 H100 Cl16 N32 O8 Zn8 -","4","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0569","0.0359","","","0.0822","0.0922","","","","","","1.026","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506981","16.7703","0.0019","13.453","0.0015","15.1615","0.0017","90","","114.853","0.002","90","","3103.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cl4 N8 O2 Zn2 -","- C25 H23 Cl4 N8 O2 Zn2 -","- C100 H92 Cl16 N32 O8 Zn8 -","4","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0746","0.0479","","","0.1388","0.1599","","","","","","1.007","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506982","9.6056","0.001","21.931","0.002","4.8504","0.0005","90","","90","","90","","1021.79","0.18","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C7 H4 Cu3 N5 -","- C7 H4 Cu3 N5 -","- C28 H16 Cu12 N20 -","4","0.5","","Qin, Ying-Lian; Liu, Jiang; Hou, Juan-Juan; Yao, Ru-Xin; Zhang, Xian-Ming","Reconstruction of a (6,3) Brick Wall Sheet Giving an Unprecedented Shubnikov-type (5,34) Sheet in Luminescent Cuprous Cyanide Supramolecular Isomers of Pseudo-polyrotaxane","Crystal Growth & Design","2012","12","12","6068","","10.1021/cg301192y","","","0.71073","MoKα","","0.0344","0.0311","","","0.0826","0.0921","","","","","","1.23","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506983","15.958","0.008","9.652","0.005","27.058","0.013","90","","97.955","0.009","90","","4128","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Cu3 N5 -","- C7 H4 Cu3 N5 -","- C112 H64 Cu48 N80 -","16","2","","Qin, Ying-Lian; Liu, Jiang; Hou, Juan-Juan; Yao, Ru-Xin; Zhang, Xian-Ming","Reconstruction of a (6,3) Brick Wall Sheet Giving an Unprecedented Shubnikov-type (5,34) Sheet in Luminescent Cuprous Cyanide Supramolecular Isomers of Pseudo-polyrotaxane","Crystal Growth & Design","2012","12","12","6068","","10.1021/cg301192y","","","0.71073","MoKα","","0.0846","0.0445","","","0.1071","0.1279","","","","","","1.021","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506984","14.7134","0.0002","14.7134","0.0002","37.5243","0.0005","90","","90","","120","","7035.08","0.16","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H44 B2 F8 Fe N12 O4 -","- C42 H36 Fe N12 -","- C252 H216 Fe6 N72 -","6","0.333333","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.041","0.0374","","","0.1055","0.1078","","","","","","1.099","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506985","14.553","0.003","14.553","0.003","68.745","0.016","90","","90","","120","","12609","5","180","2","180","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C67 H66 B4 F16 Fe2 N28 O4 -","- C66 H54 Fe2 N24 -","- C396 H324 Fe12 N144 -","6","0.166667","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.0682","0.0459","","","0.1201","0.1268","","","","","","1.031","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506986","13.8629","0.0005","17.9032","0.0006","17.9445","0.001","109.529","0.003","101.269","0.003","103.509","0.002","3895.3","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68.5 B4 F16 Fe2 N28.5 O1.5 -","- C59 H48 B3 F12 Fe2 N27 O1.5 -","- C118 H96 B6 F24 Fe4 N54 O3 -","2","1","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.0705","0.0598","","","0.1732","0.1815","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506987","14.6131","0.0004","14.6131","0.0004","68.83","0.002","90","","90","","120","","12729","0.6","180","2","180","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C23 H20 B4 Cl8 F16 N2 Ni2 O2 -","- C35.5 H27 B3 Cl3 F12 N12 Ni O1.75 -","- C426 H324 B36 Cl36 F144 N144 Ni12 O21 -","12","0.333333","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.1782","0.1302","","","0.282","0.2859","","","","","","7.396","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506988","51.649","0.003","14.9251","0.0008","26.583","0.0015","90","","108.648","0.003","90","","19416.1","1.9","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93 H92.5 B4 F16 Fe2 N26.5 O2.5 -","- C78 H60 B4 F16 Fe2 N24 -","- C624 H480 B32 F128 Fe16 N192 -","8","1","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.1493","0.089","","","0.2294","0.2585","","","","","","0.929","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506989","14.0334","0.0006","18.0136","0.0007","18.0881","0.0007","109.952","0.002","101.607","0.002","103.647","0.002","3973.1","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H67 B4 F16 N28 Ni2 O1.5 -","- C59 H48 B3 F12 N27 Ni2 O1.5 -","- C118 H96 B6 F24 N54 Ni4 O3 -","2","1","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.0615","0.0504","","","0.1501","0.1575","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506990","19.6403","0.0015","21.9093","0.0011","14.9888","0.0006","90","","90","","90","","6449.8","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Co2 N6 O12 -","- C77.028 H50 Co2 N6 O12.028 -","- C308.112 H200 Co8 N24 O48.112 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.17","0.0736","","","0.1393","0.1744","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506991","19.5953","0.0012","22.1837","0.001","14.9874","0.0008","90","","90","","90","","6515","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Mn2 N6 O12 -","- C77 H50 Mn2 N6 O12 -","- C308 H200 Mn8 N24 O48 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2137","0.1192","","","0.1733","0.202","","","","","","1.194","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506992","19.4437","0.0014","22.1871","0.0009","14.9011","0.0008","90","","90","","90","","6428.3","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 N6 O12 Zn2 -","- C77 H50 N6 O12 Zn2 -","- C308 H200 N24 O48 Zn8 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2085","0.106","","","0.1515","0.1811","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506993","19.5908","0.0009","22.1822","0.0012","15.0328","0.0005","90","","90","","90","","6532.8","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Cd2 N6 O12 -","- C77 H36 Cd2 N6 O12 -","- C308 H144 Cd8 N24 O48 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2136","0.1085","","","0.1532","0.1823","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506994","4.5887","0.0001","16.7619","0.0002","11.7853","0.0002","90","","91.852","0.001","90","","906","0.03","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ferulic acid","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Thomas, Sajesh P.; Pavan, Mysore S.; Guru Row, Tayur N.","Charge Density Analysis of Ferulic Acid: Robustness of a Trifurcated C‒H···O Hydrogen Bond","Crystal Growth & Design","2012","12","12","6083","","10.1021/cg301211h","","x-ray","0.71073","MoKα","","0.045","0.025","","","","0.076","","","","","","1.145","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506995","8.708","0.0017","19.666","0.004","11.532","0.002","90","","96.7","0.03","90","","1961.4","0.7","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H41 Cl2 N O17 S -","- C38 H41 Cl2 N O17 S -","- C76 H82 Cl4 N2 O34 S2 -","2","1","","Aitipamula, Srinivasulu; Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystal Hydrate of an Antifungal Drug, Griseofulvin, with Promising Physicochemical Properties","Crystal Growth & Design","2012","12","12","5858","","10.1021/cg3012124","","","0.71073","MoKα","","0.0483","0.0464","","","0.1216","0.1275","","","","","","1.124","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506996","25.183","0.001","25.183","0.001","13.23","0.001","90","","90","","120","","7266.2","0.7","153","2","153","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C43 H26 S2 -","- C42 H26 S2 -","- C378 H234 S18 -","9","0.5","","Mosca, Lorenzo; Koutník, Petr; Lynch, Vincent M.; Zyryanov, Grigory V.; Esipenko, Nina A.; Anzenbacher, Pavel","Host‒Guest Complexes of Pentiptycene Receptors Display Edge-to-Face Interaction","Crystal Growth & Design","2012","12","12","6104","","10.1021/cg301238e","","","0.71075","MoKα","","0.1169","0.0591","","","0.1445","0.1586","","","","","","1.12","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506997","13.331","0.001","15.43","0.001","15.714","0.001","116.148","0.003","89.981","0.003","91.659","0.002","2900","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H54 S4 -","- C74 H54 S4 -","- C148 H108 S8 -","2","1","","Mosca, Lorenzo; Koutník, Petr; Lynch, Vincent M.; Zyryanov, Grigory V.; Esipenko, Nina A.; Anzenbacher, Pavel","Host‒Guest Complexes of Pentiptycene Receptors Display Edge-to-Face Interaction","Crystal Growth & Design","2012","12","12","6104","","10.1021/cg301238e","","","0.71075","MoKα","","0.3355","0.0961","","","0.1741","0.2434","","","","","","1.007","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506998","11.9483","0.0003","13.1865","0.0003","17.0077","0.0004","110.779","0.001","101.548","0.001","102.815","0.002","2325.86","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H40 N2 O4 S2 -","- C62 H40 N2 O4 S2 -","- C124 H80 N4 O8 S4 -","2","1","","Mosca, Lorenzo; Koutník, Petr; Lynch, Vincent M.; Zyryanov, Grigory V.; Esipenko, Nina A.; Anzenbacher, Pavel","Host‒Guest Complexes of Pentiptycene Receptors Display Edge-to-Face Interaction","Crystal Growth & Design","2012","12","12","6104","","10.1021/cg301238e","","","0.71073","MoKα","","0.1376","0.0566","","","0.1049","0.1297","","","","","","1.007","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506999","9.3494","0.0008","9.8538","0.0008","11.6417","0.001","66.017","0.002","80.975","0.002","79.106","0.002","958.42","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cl2 N2 O4 -","- C17 H20 Cl2 N2 O4 -","- C34 H40 Cl4 N4 O8 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0489","0.0413","","","0.1069","0.1126","","","","","","1.044","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507000","31.452","0.014","8.566","0.004","14.084","0.006","90","","94.166","0.012","90","","3784","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Br2 N2 O4 -","- C17 H20 Br2 N2 O4 -","- C136 H160 Br16 N16 O32 -","8","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0902","0.0597","","","0.1598","0.1853","","","","","","1.03","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507001","31.0773","0.0016","8.6307","0.0004","13.9773","0.0008","90","","92.585","0.003","90","","3745.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl2 N2 O4 -","- C17 H20 Cl2 N2 O4 -","- C136 H160 Cl16 N16 O32 -","8","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0721","0.0523","","","0.1399","0.1629","","","","","","1.028","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507002","6.0525","0.0008","11.1914","0.0015","27.389","0.004","90","","90","","90","","1855.2","0.4","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0842","0.0662","","","0.1794","0.1939","","","","","","1.036","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507003","13.6068","0.0008","21.642","0.0016","7.2516","0.0004","90","","114.749","0.002","90","","1939.3","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N4 O9 -","- C17 H22 N4 O9 -","- C68 H88 N16 O36 -","4","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0242","0.0239","","","0.0664","0.0669","","","","","","1.043","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507004","10.909","0.003","7.2025","0.0019","24.021","0.006","90","","92.48","0.005","90","","1885.6","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N4 O8 -","- C17 H20 N4 O8 -","- C68 H80 N16 O32 -","4","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0529","0.0479","","","0.1168","0.1233","","","","","","1.135","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507005","12.1274","0.001","6.7704","0.0005","13.3758","0.0011","90","","110.854","0.003","90","","1026.31","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br2 N2 O4 -","- C18 H22 Br2 N2 O4 -","- C36 H44 Br4 N4 O8 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.043","0.0346","","","0.0896","0.096","","","","","","1.049","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507006","9.1404","0.0005","10.8543","0.0005","9.8631","0.0005","90","","104.744","0.001","90","","946.32","0.08","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0238","0.0235","","","0.0638","0.0642","","","","","","1.078","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507007","6.13","0.005","22.51","0.018","7.092","0.006","90","","92.88","0.02","90","","977.4","1.4","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0694","0.0422","","","0.0928","0.1076","","","","","","1.035","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507008","11.8211","0.001","6.1532","0.0007","14.5302","0.0014","90","","105.997","0.004","90","","1015.96","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br2 N2 O4 -","- C18 H22 Br2 N2 O4 -","- C36 H44 Br4 N4 O8 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0442","0.0348","","","0.0858","0.0913","","","","","","1.081","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507009","11.6323","0.0016","6.1923","0.0008","14.4409","0.0018","90","","106.035","0.002","90","","999.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O4 -","- C18 H22 Cl2 N2 O4 -","- C36 H44 Cl4 N4 O8 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0416","0.0373","","","0.0998","0.1041","","","","","","1.044","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507010","13.5398","0.0006","7.1069","0.0003","22.1324","0.0009","90","","104.977","0.002","90","","2057.37","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C80 H112 N8 O20 -","4","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.066","0.0588","","","0.1555","0.1666","","","","","","1.086","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507011","11.421","0.007","6.341","0.004","14.374","0.008","90","","101.184","0.01","90","","1021.2","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0568","0.0482","","","0.1184","0.1266","","","","","","1.048","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507012","7.113","0.003","8.983","0.004","12.204","0.006","68.674","0.008","75.365","0.012","67.265","0.008","664.2","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N O2 -","- C17 H16 N O2 -","- C34 H32 N2 O4 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0463","0.0403","","","0.1174","0.1241","","","","","","1.093","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507013","6.889","0.003","7.714","0.003","11.936","0.005","88.649","0.009","82.404","0.008","64.29","0.008","566.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N O4 -","- C12 H12 N O4 -","- C24 H24 N2 O8 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0909","0.054","","","0.155","0.1803","","","","","","1.082","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507014","6.4485","0.0017","8.177","0.002","13.989","0.004","101.84","0.004","95.145","0.005","103.562","0.004","694.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N4 O4 -","- C28 H40 N4 O4 -","- C28 H40 N4 O4 -","1","0.5","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.0932","0.0766","","","0.2081","0.2211","","","","","","1.097","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507015","8.568","0.01","9.238","0.01","10.972","0.012","98.503","0.014","105.534","0.014","103.485","0.014","792.9","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 N4 O4 -","- C30 H34 N4 O4 -","- C30 H34 N4 O4 -","1","0.5","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.1303","0.1186","","","0.3442","0.3589","","","","","","1.578","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507016","22.153","0.003","9.7615","0.0012","17.488","0.002","90","","98.224","0.003","90","","3742.8","0.8","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C38 H56 N4 O4 -","- C38 H56 N4 O4 -","- C152 H224 N16 O16 -","4","1","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.0619","0.0429","","","0.1133","0.1256","","","","","","1.024","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507017","19.997","0.003","19.53","0.003","7.7853","0.0011","90","","95.823","0.004","90","","3024.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N4 O4 -","- C32 H44 N4 O4 -","- C128 H176 N16 O16 -","4","1","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.1058","0.0812","","","0.2257","0.2489","","","","","","1.085","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507018","8.1405","0.0013","11.1094","0.0018","11.6064","0.0019","108.919","0.003","109.462","0.003","101.428","0.004","879.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N4 O4 -","- C34 H38 N4 O4 -","- C34 H38 N4 O4 -","1","0.5","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.1909","0.1536","","","0.383","0.4161","","","","","","1.208","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507019","7.721","0.003","14.566","0.006","17.327","0.007","90","","94.155","0.006","90","","1943.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 N4 O4 -","- C21 H30 N2 O2 -","- C84 H120 N8 O8 -","4","1","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.1261","0.1136","","","0.2859","0.296","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507020","15.7674","0.0018","13.3128","0.0015","12.28","0.0014","90","","95.71","0.02","90","","2564.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone dihydrochloride","","- C25 H36 Cl2 N2 O3 -","- C25 H36 Cl2 N2 O3 -","- C100 H144 Cl8 N8 O12 -","4","1","","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Pirogov, Sergey V.; Nikulenkova, Tamara F.; Tumanova, Ekaterina V.; Lonin, Ivan S.; Paseshnichenko, Ksenia A.; Mironov, Andrei V.; Velikodny, Yurii A.","Two Anhydrous and a Trihydrate Form of Tilorone Dihydrochloride: Hydrogen-Bonding Patterns and Reversible Hydration/Dehydration Solid-State Transformation","Crystal Growth & Design","2012","12","12","6118","","10.1021/cg3012475","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.061","1.695","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507021","17.7102","0.0019","13.3601","0.0017","12.1598","0.0016","90","","96.39","0.02","90","","2859.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone dihydrochloride trihydrate","","- C25 H42 Cl2 N2 O6 -","- C25 H42 Cl2 N2 O6 -","- C100 H168 Cl8 N8 O24 -","4","1","","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Pirogov, Sergey V.; Nikulenkova, Tamara F.; Tumanova, Ekaterina V.; Lonin, Ivan S.; Paseshnichenko, Ksenia A.; Mironov, Andrei V.; Velikodny, Yurii A.","Two Anhydrous and a Trihydrate Form of Tilorone Dihydrochloride: Hydrogen-Bonding Patterns and Reversible Hydration/Dehydration Solid-State Transformation","Crystal Growth & Design","2012","12","12","6118","","10.1021/cg3012475","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.061","1.695","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507022","18.768","0.0017","19.6955","0.0019","6.945","0.0011","90","","95.096","0.018","90","","2557","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone dihydrochloride","","- C25 H36 Cl2 N2 O3 -","- C25 H36 Cl2 N2 O3 -","- C100 H144 Cl8 N8 O12 -","4","1","","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Pirogov, Sergey V.; Nikulenkova, Tamara F.; Tumanova, Ekaterina V.; Lonin, Ivan S.; Paseshnichenko, Ksenia A.; Mironov, Andrei V.; Velikodny, Yurii A.","Two Anhydrous and a Trihydrate Form of Tilorone Dihydrochloride: Hydrogen-Bonding Patterns and Reversible Hydration/Dehydration Solid-State Transformation","Crystal Growth & Design","2012","12","12","6118","","10.1021/cg3012475","powder diffraction","","1.78897","CoKα~1~","","","","","","","","","0.059","1.352","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507023","10.7146","0.001","12.9385","0.0012","20.8587","0.0016","90","","120.343","0.003","90","","2495.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N5 O11 Sm -","- C22 H18 Co N5 O11 Sm -","- C88 H72 Co4 N20 O44 Sm4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0496","0.0333","","","0.0746","0.0831","","","","","","1.068","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507024","10.646","0.0013","12.7722","0.0016","20.8458","0.0019","90","","120.083","0.004","90","","2452.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N5 Ni O9 Sm -","- C22 H14 N5 Ni O9 Sm -","- C88 H56 N20 Ni4 O36 Sm4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.1094","0.0553","","","0.0799","0.0973","","","","","","1.011","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507025","10.6989","0.0019","12.978","0.002","20.804","0.003","90","","120.242","0.006","90","","2495.5","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co Eu N5 O11 -","- C22 H18 Co Eu N5 O11 -","- C88 H72 Co4 Eu4 N20 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0565","0.0386","","","0.0898","0.0996","","","","","","1.075","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507026","11.062","0.002","13.563","0.003","20.895","0.004","90","","121.247","0.008","90","","2680.2","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd Eu N5 O11 -","- C22 H18 Cd Eu N5 O11 -","- C88 H72 Cd4 Eu4 N20 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0627","0.0394","","","0.0828","0.0943","","","","","","1.051","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507027","10.735","0.003","12.978","0.004","20.868","0.005","90","","120.266","0.011","90","","2511","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Eu N5 O11 Zn -","- C22 H18 Eu N5 O11 Zn -","- C88 H72 Eu4 N20 O44 Zn4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0534","0.0366","","","0.0804","0.0888","","","","","","1.059","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507028","10.6962","0.0015","12.9763","0.0018","20.7848","0.0019","90","","120.299","0.005","90","","2490.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co Gd N5 O11 -","- C22 H18 Co Gd N5 O11 -","- C88 H72 Co4 Gd4 N20 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0411","0.0305","","","0.0689","0.0739","","","","","","1.074","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507029","11.0308","0.001","13.5717","0.0012","20.893","0.0015","90","","121.259","0.003","90","","2673.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd Gd N5 O11 -","- C22 H18 Cd Gd N5 O11 -","- C88 H72 Cd4 Gd4 N20 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0322","0.0272","","","0.0671","0.0694","","","","","","1.077","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507030","10.6675","0.0015","12.9658","0.0018","20.713","0.0019","90","","120.068","0.005","90","","2479.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N5 O11 Tb -","- C22 H18 Co N5 O11 Tb -","- C88 H72 Co4 N20 O44 Tb4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0285","0.0243","","","0.0595","0.0615","","","","","","1.078","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507031","10.9838","0.0019","13.543","0.002","20.83","0.003","90","","121.372","0.006","90","","2645.5","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cd N5 O10 Tb -","- C22 H16 Cd N5 O10 Tb -","- C88 H64 Cd4 N20 O40 Tb4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.1201","0.0928","","","0.2208","0.2373","","","","","","1.093","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507032","10.6901","0.0012","12.9647","0.0015","20.7464","0.0018","90","","120.143","0.004","90","","2486.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N5 O11 Tb Zn -","- C22 H18 N5 O11 Tb Zn -","- C88 H72 N20 O44 Tb4 Zn4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0531","0.0375","","","0.0744","0.0806","","","","","","1.08","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507033","22.8627","0.001","7.3486","0.0003","19.1526","0.001","90","","111.435","0.004","90","","2995.2","0.3","155","2","155","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 N2 O2 -","- C18 H19 N2 O2 -","- C144 H152 N16 O16 -","8","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0706","0.0683","","","0.1441","0.1451","","","","","","1.254","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507034","19.7275","0.0018","7.6198","0.0005","9.977","0.0009","90","","90","","90","","1499.7","0.2","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0567","0.0393","","","0.0796","0.0873","","","","","","1.013","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507035","19.0145","0.0009","9.8544","0.0004","10.6615","0.0004","90","","98.419","0.002","90","","1976.19","0.14","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0723","0.054","","","0.1334","0.1485","","","","","","1.044","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507036","12.5839","0.0006","6.0146","0.0003","21.2073","0.0011","90","","101.632","0.002","90","","1572.15","0.14","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0408","0.0362","","","0.0939","0.0985","","","","","","1.02","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507037","9.2192","0.0011","11.1014","0.001","11.684","0.0014","90","","110.795","0.014","90","","1117.9","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pyridinium 2,5-dihydroxybenzoate","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0783","0.0424","","","0.1171","0.126","","","","","","0.925","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507038","7.4525","0.0009","44.783","0.004","8.0945","0.0012","90","","113.673","0.016","90","","2474.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1549","0.0688","","","0.1259","0.1414","","","","","","0.891","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507039","7.1776","0.0005","12.0045","0.0008","14.1926","0.0007","90","","90","","90","","1222.88","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0476","0.0353","","","0.0823","0.0851","","","","","","0.928","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507040","7.0778","0.0004","7.3457","0.0005","11.6711","0.0007","88.147","0.005","79.634","0.006","81.894","0.005","590.91","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0599","0.0434","","","0.1252","0.1313","","","","","","0.951","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507041","7.4156","0.0004","24.0546","0.0008","8.2024","0.0004","90","","114.389","0.006","90","","1332.57","0.12","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dimethylpyridinium 2,5-dihydroxybenzoate","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0642","0.0417","","","0.1146","0.1198","","","","","","1.018","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507042","9.0799","0.0007","13.7595","0.0012","11.664","0.003","90","","93.131","0.012","90","","1455.1","0.4","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,6-trimethylpyridinium 2,5-dihydroxybenzoate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0515","0.0357","","","0.0823","0.0859","","","","","","0.901","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507043","11.4053","0.0005","12.3693","0.0007","16.2184","0.0007","90","","90","","90","","2288.02","0.19","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-aminopyridinium 2,5-dihydroxybenzoate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C96 H96 N16 O32 -","8","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0524","0.0358","","","0.0969","0.1005","","","","","","1.02","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507044","9.5162","0.0012","23.3861","0.0017","23.3861","0.0017","90","","90","","90","","5204.5","0.8","295","2","295","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","2-amino-3-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C208 H224 N32 O64 -","16","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1881","0.0471","","","0.111","0.1342","","","","","","0.68","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507045","8.6496","0.0012","11.5341","0.0016","12.5001","0.0019","90","","103.52","0.014","90","","1212.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0597","0.0345","","","0.0805","0.0845","","","","","","0.871","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507046","13.2565","0.0012","13.6709","0.001","13.9601","0.0017","90","","98.954","0.01","90","","2499.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3-nitropyridinium 2,5-dihydroxybenzoate","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C96 H88 N24 O48 -","8","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1707","0.1456","","","0.4202","0.4273","","","","","","1.108","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507047","10.264","0.0008","11.5584","0.0005","11.5783","0.0007","87.209","0.004","74.251","0.006","80.264","0.005","1302.99","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-amino-3-nitropyridinium 2,5-dihydroxybenzoate hemihydrate","","- C12 H12 N3 O6.5 -","- C12 H12 N3 O6.5 -","- C48 H48 N12 O26 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0649","0.041","","","0.1292","0.1324","","","","","","1.21","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507048","18.901","0.003","12.9967","0.0019","4.9373","0.0006","90","","90","","90","","1212.9","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-amino-3-hydroxypyridinium 2,5-dihydroxybenzoate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0993","0.0502","","","0.0983","0.1071","","","","","","0.813","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507049","7.5956","0.0005","11.3274","0.0007","14.5541","0.001","90","","96.94","0.007","90","","1243.04","0.14","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-nitro-2-pyridone - 2,5-dihydroxybenzoic acid","","- C12 H10 N2 O7 -","- C12 H10 N2 O7 -","- C48 H40 N8 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1006","0.0508","","","0.1311","0.1445","","","","","","0.91","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507050","7.6544","0.0005","7.1686","0.0006","20.4981","0.0016","90","","95.404","0.007","90","","1119.76","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxypyridinium 2,5-dihydroxybenzoate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C48 H44 N4 O20 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1053","0.0769","","","0.2316","0.2394","","","","","","1.113","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507051","12.082","0.002","7.7361","0.0012","13.992","0.002","90","","112.97","0.02","90","","1204.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","nicotinic acid - 2,5-dihydroxybenzoic acid","","- C13 H11 N O6 -","- C13 H11 N O6 -","- C52 H44 N4 O24 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1324","0.1091","","","0.3352","0.3447","","","","","","1.342","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507052","7.0712","0.0007","12.6897","0.0011","14.1999","0.0009","90","","90","","90","","1274.18","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","nicotinamide - 2,5-dihydroxybenzoic acid","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0441","0.0317","","","0.0702","0.0725","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507053","36.985","0.014","26.256","0.004","5.1348","0.001","90","","90","","90","","4986","2","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","picolinic acid - 2,5-hihydroxybenzoic acid","","- C13 H11 N O6.09 -","- C13 H11 N O6.09 -","- C208 H176 N16 O97.44 -","16","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0472","0.0302","","","0.0615","0.0642","","","","","","0.88","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507054","6.779","0.002","10.991","0.003","14.254","0.004","96.17","0.03","97.75","0.04","95.4","0.03","1039.9","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","methyl nicotinate - 2,5-dihydroxybenzoic acid (2:1)","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C42 H40 N4 O16 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.2499","0.1246","","","0.3073","0.3452","","","","","","0.823","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507055","7.0664","0.0017","8.934","0.002","11.824","0.003","100.568","0.018","100.956","0.019","109.97","0.02","663.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-carboxymethylpyridinium 2,5-dihydroxybenzoate","","- C14 H13 N O6 -","- C14 H13 N O6 -","- C28 H26 N2 O12 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1107","0.0808","","","0.2274","0.2378","","","","","","0.997","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507056","10.5188","0.0013","3.7983","0.0005","25.777","0.003","90","","90.536","0.009","90","","1029.8","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridinium 2,5-dihydroxybenzoate","","- C24 H20 N2 O8 -","- C24 H20 N2 O8 -","- C48 H40 N4 O16 -","2","0.5","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1013","0.0524","","","0.1471","0.1701","","","","","","0.909","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507057","7.3554","0.0004","9.4165","0.0004","15.6213","0.0007","77.634","0.003","87.415","0.005","86.325","0.004","1054.14","0.09","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-(pyrid-4-ly)-pyridinium 2,5-dihydroxybenzoate - dihydroxybenzoic acid","","- C24 H20 N2 O8 -","- C24 H20 N2 O8 -","- C48 H40 N4 O16 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0623","0.0404","","","0.1102","0.1155","","","","","","0.949","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507058","12.126","0.004","12.2129","0.0012","12.3844","0.001","90","","101.733","0.014","90","","1795.7","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-cyanopyridine - - 2,5-dihydroxybenzoic acid (2:1)","","- C19 H14 N4 O4 -","- C19 H14 N4 O4 -","- C76 H56 N16 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0712","0.0343","","","0.0909","0.0963","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507059","17.1906","0.0013","11.4994","0.0009","24.854","0.0019","90","","91.555","0.001","90","","4911.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Chloroform1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H52 Cl6 O4 -","- C54 H52 Cl6 O4 -","- C216 H208 Cl24 O16 -","4","1","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.0717","0.0581","","","0.1383","0.1464","","","","","","1.023","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507060","20.1999","0.0013","21.9548","0.0013","22.6618","0.0013","90","","107.967","0.002","90","","9560.1","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Chloroform2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C107 H103 Cl9 O8 -","- C107 H103 Cl9 O8 -","- C428 H412 Cl36 O32 -","4","0.5","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.0912","0.0584","","","0.1331","0.1488","","","","","","1.013","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507061","12.793","0.002","16.993","0.003","11.506","0.002","90","","97.648","0.003","90","","2479.1","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-cyclohexenone1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H66 O6 -","- C64 H66 O6 -","- C128 H132 O12 -","2","0.5","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.1211","0.0918","","","0.2449","0.2714","","","","","","1.061","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507062","11.858","0.002","16.972","0.003","19.789","0.003","95.462","0.004","103.095","0.003","110.062","0.003","3578","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Cyclododecene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C82 H105 O4 -","- C82 H105 O4 -","- C164 H210 O8 -","2","1","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.2744","0.0882","","","0.1078","0.1352","","","","","","1.04","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507063","6.801","0.003","12.486","0.006","14.756","0.007","104.804","0.009","93.331","0.009","97.28","0.009","1196.3","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-dicyclopentadiene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C62 H62 O4 -","- C62 H62 O4 -","- C62 H62 O4 -","1","0.5","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.0808","0.059","","","0.143","0.1584","","","","","","1.049","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507064","40.57","0.006","15.752","0.002","13.5431","0.0017","90","","97.797","0.005","90","","8575","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-nitrobenzene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C110 H105 N O10 -","- C110 H105 N O10 -","- C440 H420 N4 O40 -","4","0.5","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.1367","0.0681","","","0.1369","0.1586","","","","","","1.05","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507065","14.787","0.003","15.341","0.003","22.729","0.005","90","","90","","90","","5156","1.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Toluene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C66 H66 O4 -","- C66 H66 O4 -","- C264 H264 O16 -","4","1","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.1138","0.0646","","","0.1265","0.144","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507066","11.684","0.002","13.506","0.003","14.584","0.003","77.331","0.003","89.819","0.003","73.113","0.003","2144","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H61 N8 O28 S4 Zn4 -","- C92 H61 N8 O28 S4 Zn4 -","- C92 H61 N8 O28 S4 Zn4 -","1","0.5","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0464","0.0369","","","0.1146","0.1355","","","","","","1.078","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507067","10.3359","0.0009","10.9742","0.001","13.6908","0.0012","91.612","0.001","111.91","0.001","107.339","0.001","1358.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H31 Cd2 N4 O16 S2 -","- C46 H31 Cd2 N4 O16 S2 -","- C46 H31 Cd2 N4 O16 S2 -","1","0.5","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0544","0.0514","","","0.1246","0.1287","","","","","","1.092","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507068","10.1147","0.0011","10.4886","0.0012","14.2851","0.0016","106.485","0.001","101.608","0.002","102.81","0.002","1359.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Co N2 O6 S -","- C23 H14 Co N2 O6 S -","- C46 H28 Co2 N4 O12 S2 -","2","1","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0848","0.078","","","0.2274","0.2375","","","","","","1.058","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507069","20.682","0.003","19.366","0.003","20.733","0.003","90","","114.878","0.002","90","","7533.6","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 O5 S Zn -","- C28 H18 N2 O5 S Zn -","- C224 H144 N16 O40 S8 Zn8 -","8","1","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0806","0.0574","","","0.1455","0.1512","","","","","","1.045","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507070","19.796","0.003","22.262","0.003","13.044","0.002","90","","99.852","0.002","90","","5663.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H36 Co2 N4 O10 S2 -","- C56 H36 Co2 N4 O10 S2 -","- C224 H144 Co8 N16 O40 S8 -","4","1","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0535","0.0434","","","0.1212","0.1259","","","","","","1.114","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507071","10.1761","0.0005","14.5967","0.0007","22.8332","0.0012","72.626","0.001","82.585","0.001","80.492","0.001","3180.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 N4 O20 S2 Zn4 -","- C60 H44 N4 O20 S2 Zn4 -","- C120 H88 N8 O40 S4 Zn8 -","2","1","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0617","0.0437","","","0.1102","0.1201","","","","","","1.016","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507072","17.492","0.009","17.492","0.009","9.105","0.009","90","","90","","90","","2786","3","296","2","296","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C32 H28 Cu4 O24 Si -","- C32 H12 Cu4 O24 Si -","- C64 H24 Cu8 O48 Si2 -","2","0.125","","Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng","Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid","Crystal Growth & Design","2012","12","12","6158","","10.1021/cg301319u","","","0.71073","MoKα","","0.0589","0.0568","","","0.1818","0.1834","","","","","","1.128","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507073","23.168","0.008","18.615","0.006","25.483","0.008","90","","101.768","0.004","90","","10759","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H94 N8 O38 Si2 Zn5 -","- C82 H90 N8 O38 Si2 Zn5 -","- C328 H360 N32 O152 Si8 Zn20 -","4","0.5","","Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng","Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid","Crystal Growth & Design","2012","12","12","6158","","10.1021/cg301319u","","","0.71073","MoKα","","0.1024","0.064","","","0.1655","0.1761","","","","","","0.941","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507074","23.179","0.002","19.0074","0.0019","26.112","0.003","90","","99.417","0.002","90","","11349","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H84 Cd3 N6 O32 Si2 -","- C76 H70 Cd3 N6 O32 Si2 -","- C304 H280 Cd12 N24 O128 Si8 -","4","0.5","","Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng","Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid","Crystal Growth & Design","2012","12","12","6158","","10.1021/cg301319u","","","0.71073","MoKα","","0.0781","0.0587","","","0.1634","0.1701","","","","","","1.119","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507075","14.66805","0.00034","5.91244","0.00011","14.22565","0.0003","90","","112.881","0.0013","90","","1136.63","0.04","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N3 O5 -","- C21 H33 N3 O6 -","- C42 H66 N6 O12 -","2","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide","Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis","Crystal Growth & Design","2012","12","12","6165","","10.1021/cg3013377","powder diffraction","x-ray","1.20025","","","","","","","","","0.10815","","2.27","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507076","15.17734","0.00029","5.94528","0.00008","14.22942","0.00026","90","","120.622","0.0009","90","","1104.92","0.03","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N3 O5 -","- C21 H31 N3 O5 -","- C42 H62 N6 O10 -","2","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide","Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis","Crystal Growth & Design","2012","12","12","6165","","10.1021/cg3013377","powder diffraction","x-ray","1.1977","","","","","","","","","0.04546","","6.22","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507077","12.154","0.0007","11.8231","0.0008","17.9886","0.0012","90","","101.881","0.003","90","","2529.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.101","0.0658","","","0.1865","0.2055","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507078","12.3499","0.0011","12.7854","0.0012","17.0726","0.0015","90","","101.913","0.005","90","","2637.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O3 -","- C29 H38 N2 O3 -","- C116 H152 N8 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.0859","0.0558","","","0.1667","0.1845","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507079","12.4222","0.0008","12.7119","0.0008","17.3961","0.0012","90","","102.16","0.004","90","","2685.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.1121","0.0555","","","0.1415","0.1634","","","","","","0.906","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507080","9.8237","0.0011","11.8361","0.0013","13.2385","0.0014","68.077","0.004","88.819","0.004","68.848","0.004","1320.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C58 H74 N2 O10 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.1827","0.0757","","","0.1386","0.1798","","","","","","1.04","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507081","8.6308","0.0009","11.699","0.0012","15.9227","0.0017","107.295","0.006","105.133","0.006","92.092","0.006","1470.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 N3 O2 -","- C34 H45 N3 O2 -","- C68 H90 N6 O4 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.137","0.0613","","","0.1677","0.1996","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507082","12.3211","0.0008","11.3408","0.0007","18.5015","0.0012","90","","98.554","0.004","90","","2556.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 N O3 S -","- C27 H35 N O3 S -","- C108 H140 N4 O12 S4 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.2186","0.1104","","","0.2039","0.2361","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507083","12.606","0.01","11.689","0.011","18.529","0.016","90","","105.15","0.03","90","","2635","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O3 -","- C29 H38 N2 O3 -","- C116 H152 N8 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.2238","0.0568","","","0.0941","0.1163","","","","","","0.853","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507084","12.988","0.002","14.491","0.002","15.156","0.003","88.529","0.014","70.482","0.011","88.285","0.011","2687","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H70 N4 O7 -","- C56 H70 N4 O7 -","- C112 H140 N8 O14 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.1958","0.0651","","","0.1463","0.1608","","","","","","1.144","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507085","7.2651","0.0006","8.983","0.002","10.109","0.0015","97.82","0.08","110.42","0.05","112.3","0.06","543.9","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","1","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.0719","0.0613","","","0.174","0.1914","","","","","","1.11","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507086","10.363","0.005","11.163","0.005","17.892","0.006","90","","92.15","0.03","90","","2068.3","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H23 Cl N2 O3 S -","- C22 H23 Cl N2 O3 S -","- C88 H92 Cl4 N8 O12 S4 -","4","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.1884","0.1588","","","0.3871","0.398","","","","","","1.777","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507087","14.208","0.006","10.027","0.004","16.146","0.007","90","","113.042","0.006","90","","2116.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O5 S -","- C22 H26 N2 O5 S -","- C88 H104 N8 O20 S4 -","4","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.0848","0.068","","","0.204","0.2228","","","","","","1.038","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507088","17.5","0.012","7.605","0.005","13.547","0.009","90","","93.708","0.013","90","","1799","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 F3 N2 O3 S -","- C17 H19 F3 N2 O3 S -","- C68 H76 F12 N8 O12 S4 -","4","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.0728","0.0578","","","0.123","0.1321","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507089","6.697","0.009","5.12","0.007","23.07","0.03","90","","98.82","0.04","90","","781.7","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxybenzamide : oxalic acid (2:1)","","","- C8 H8 N O4 -","- C8 H8 N O4 -","- C32 H32 N4 O16 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.064","0.0513","","","0.155","0.1865","","","","","","1.153","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507090","8.886","0.005","5.118","0.003","21.046","0.01","90","","113.321","0.018","90","","878.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N O4 -","- C9 H10 N O4 -","- C36 H40 N4 O16 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0452","0.042","","","0.1114","0.1282","","","","","","1.1","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507091","8.7771","0.0014","5.2395","0.0009","20.63","0.003","90","","114.787","0.008","90","","861.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxybenzamide : fumaric acid (2:1)","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.042","0.0389","","","0.1079","0.1228","","","","","","1.133","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507092","17.067","0.012","5.077","0.002","25.609","0.012","90","","121.71","0.03","90","","1887.7","1.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Hydroxybenzamide : glutaricacid form I (2:1)","","","- C9.5 H11 N O4 -","- C9.5 H11 N O4 -","- C76 H88 N8 O32 -","8","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0974","0.0656","","","0.1811","0.2231","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507093","22.27","0.005","5.17","0.001","33.69","0.007","90","","92.33","0.03","90","","3875.7","1.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Hydroxybenzamide : glutaric acid form II (2:1)","","","- C19 H22 N2 O8 -","- C19 H22 N2 O8 -","- C152 H176 N16 O64 -","8","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.1313","0.0849","","","0.1907","0.2287","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507094","5.169","0.007","10.102","0.016","11.747","0.018","115.05","0.02","90.332","0.013","100.638","0.008","543.7","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-Hydroxybenzamide : adipic acid : H2O","","","- C10 H14 N O5 -","- C10 H14 N O5 -","- C20 H28 N2 O10 -","2","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0565","0.0481","","","0.1315","0.1531","","","","","","1.088","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507095","17.535","0.003","5.0774","0.0006","24.296","0.003","90","","102.752","0.017","90","","2109.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H13 N O4 -","- C10.5 H13 N O4 -","- C84 H104 N8 O32 -","8","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.16","0.071","","","0.1886","0.2505","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507096","12.049","0.003","5.0649","0.001","23.609","0.005","90","","115.675","0.013","90","","1298.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxybenzamide : sebacic acid : H2O (2:1:2)","","","- C12 H18 N O5 -","- C12 H18 N O5 -","- C48 H72 N4 O20 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0922","0.0627","","","0.1528","0.1945","","","","","","1.137","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507097","7.038","0.008","7.257","0.008","10.452","0.01","97.4","0.04","108.96","0.02","97.8","0.04","491.6","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-Hydroxybenzamide : fumaric acid : H2O (2:1:2)","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.06","0.045","","","0.1087","0.1177","","","","","","0.966","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507098","16.685","0.004","9.355","0.002","9.079","0.003","90","","100.796","0.009","90","","1392","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzamide-hemihydrate","","","- C7 H8 N O2.5 -","- C7 H8 N O2.5 -","- C56 H64 N8 O20 -","8","2","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0884","0.0655","","","0.1557","0.174","","","","","","1.251","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507099","8.17","0.007","12.268","0.009","11.354","0.009","90","","91.004","0.007","90","","1137.8","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzamide:maleic acid","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C44 H44 N4 O24 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0439","0.0392","","","0.1095","0.1285","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507100","7.91","0.0016","5.274","0.0011","8.451","0.0017","90","","108.78","0.03","90","","333.78","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-hydroxybenzamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0696","0.068","","","0.193","0.1956","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507101","6.3558","0.0012","20.655","0.004","7.8807","0.0014","90","","92.286","0.002","90","","1033.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Ag2 O14 P4 U -","- C12 H12 Ag2 O14 P4 U -","- C24 H24 Ag4 O28 P8 U2 -","2","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.0235","0.0204","","","0.0413","0.0426","","","","","","1.053","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507102","5.5196","0.0007","15.681","0.002","14.5816","0.0019","90","","99.321","0.002","90","","1245.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cs O8 P2 U -","- C6 H5 Cs O8 P2 U -","- C24 H20 Cs4 O32 P8 U4 -","4","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.0297","0.0218","","","0.0445","0.0468","","","","","","1.033","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507103","9.5213","0.0009","10.5817","0.001","18.3319","0.0018","95.927","0.001","99.681","0.001","114.194","0.001","1630","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Ba O27 P4 U3 -","- C12 H8 Ba O27 P4 U3 -","- C24 H16 Ba2 O54 P8 U6 -","2","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.029","0.0249","","","0.06","0.0626","","","","","","1.026","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507104","7.119","0.0008","14.1051","0.0016","17.698","0.002","90","","90","","90","","1777.1","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H4 O15 P2 Sr U2 -","- C6 H4 O15 P2 Sr U2 -","- C24 H16 O60 P8 Sr4 U8 -","4","0.25","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.0404","0.0335","","","0.0899","0.0926","","","","","","1.121","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507105","7.6597","0.0009","13.4779","0.0016","13.7575","0.0016","117.048","0.004","90.413","0.005","90.972","0.004","1264.6","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-4-97-4 4-Br-pyrazole, 3,5-(NO2)2-PhCOOH","","- C10 H7 Br N4 O6 -","- C10 H7 Br N4 O6 -","- C40 H28 Br4 N16 O24 -","4","2","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0729","0.054","","","0.1471","0.1677","","","","","","1.068","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507106","6.7767","0.0005","8.0047","0.0006","11.1806","0.001","83.315","0.004","77.745","0.004","85.862","0.004","587.94","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-1-25-05 4-CN-PhCOOH, 4-I-pyrazole","","- C11 H8 I N3 O2 -","- C11 H8 I N3 O2 -","- C22 H16 I2 N6 O4 -","2","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0306","0.0255","","","0.0631","0.0662","","","","","","1.028","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507107","10.1937","0.0006","11.2088","0.0006","13.1357","0.0007","111.112","0.002","108.116","0.002","92.381","0.002","1310.62","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-01-25-06 3,5-(NO2)2-PhCOOH, 4-I-pyrazole","","- C10 H7 I N4 O6 -","- C10 H7 I N4 O6 -","- C40 H28 I4 N16 O24 -","4","2","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0257","0.0212","","","0.0515","0.0536","","","","","","1.049","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507108","12.8138","0.0007","7.2047","0.0004","15.2522","0.0009","90","","90","","90","","1408.08","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","EH-6-65-12 3,5-Me2-4-Cl-pyrazole, 3-MeO-4-HO-PhCOOH","","- C13 H15 Cl N2 O4 -","- C13 H15 Cl N2 O4 -","- C52 H60 Cl4 N8 O16 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0456","0.0389","","","0.0975","0.103","","","","","","1.046","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507109","6.4021","0.0004","7.8731","0.0005","28.0067","0.0019","90","","90.195","0.003","90","","1411.65","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EH-6-65-11 3,5-Me2-4-Cl-pyrazole, 3,5-(NO2)2-PhCOOH","","- C12 H11 Cl N4 O6 -","- C12 H11 Cl N4 O6 -","- C48 H44 Cl4 N16 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0536","0.0447","","","0.1549","0.163","","","","","","1.223","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507110","6.4192","0.0007","8.0239","0.0008","28.206","0.003","90","","90","","90","","1452.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","EH-4-45-3 3,5-Me2-4-Br-pyrazole, 3,5-(NO2)2-PhCOOH","","- C12 H11 Br N4 O6 -","- C12 H11 Br N4 O6 -","- C48 H44 Br4 N16 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0835","0.0484","","","0.096","0.1088","","","","","","1.08","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507111","9.3369","0.0018","10.489","0.002","11.923","0.002","77.852","0.012","75.218","0.011","68.606","0.012","1042.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-6-65-6 (3,5-Me2-4-Cl-pyrazole)2, 2,4-(NO2)2-PhCOOH","","- C17 H18 Cl2 N6 O6 -","- C17 H18 Cl2 N6 O6 -","- C34 H36 Cl4 N12 O12 -","2","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0918","0.0575","","","0.1484","0.1655","","","","","","1.109","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507112","7.1993","0.0005","7.8251","0.0006","13.4055","0.001","93.999","0.003","90.564","0.003","96.99","0.003","747.64","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-6-65-23 3,5-Me2-4-I-pyrazole, 3,5-(NO2)2-PhCOOH","","- C12 H11 I N4 O6 -","- C12 H11 I N4 O6 -","- C24 H22 I2 N8 O12 -","2","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0507","0.0432","","","0.0938","0.0963","","","","","","1.225","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507113","7.7111","0.0012","9.6247","0.0014","14.275","0.002","73.355","0.008","89.353","0.009","68.778","0.007","941.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-4-90-1 pyrazole, 3,5-Cl2-PhCOOH","","- C17 H12 Cl4 N2 O4 -","- C17 H12 Cl4 N2 O4 -","- C34 H24 Cl8 N4 O8 -","2","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.1192","0.0861","","","0.2058","0.2302","","","","","","1.374","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507114","7.1717","0.0006","13.2773","0.0012","20.7542","0.0016","90","","92.463","0.004","90","","1974.4","0.3","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","EH-3-93-7 pyrazole, [(NO2)2-PhCOOH]2","","- C17 H12 N6 O12 -","- C17 H12 N6 O12 -","- C68 H48 N24 O48 -","4","2","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0725","0.0529","","","0.1044","0.1118","","","","","","1.059","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507115","8.6114","0.0004","6.2504","0.0003","27.4741","0.0013","90","","94.822","0.003","90","","1473.55","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EH-3-94-1 3,5-Me2-pyrazole, 3,5-dinitrobenzoic acid hydrate","","- C12 H14 N4 O7 -","- C12 H14 N4 O7 -","- C48 H56 N16 O28 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0813","0.0516","","","0.1424","0.1609","","","","","","1.079","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507116","4.6472","0.0014","11.672","0.003","13.456","0.004","90.036","0.004","97.87","0.005","97.971","0.004","715.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 Mn O10 -","- C32 H28 Mn O10 -","- C32 H28 Mn O10 -","1","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0379","0.0341","","","0.0983","0.1022","","","","","","1.032","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507117","15.489","0.002","16.205","0.002","16.439","0.002","72.801","0.002","70.522","0.002","68.048","0.002","3538.3","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H80 Cd1.5 N4 O16 -","- C68 H80 Cd1.5 N4 O16 -","- C136 H160 Cd3 N8 O32 -","2","1","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0682","0.0543","","","0.161","0.177","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507118","18.1473","0.001","18.1473","0.001","36.182","0.004","90","","90","","120","","10319.2","1.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H25.32 Co O8.67 -","- C32 H25.32 Co O8.66667 -","- C288 H227.88 Co9 O78 -","9","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0488","0.0401","","","0.1183","0.1223","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507119","36.419","0.007","13.1869","0.0019","8.1455","0.0019","90","","100.045","0.004","90","","3851.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Co O13 -","- C32 H28 Co O13 -","- C128 H112 Co4 O52 -","4","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.059","0.0494","","","0.1466","0.1557","","","","","","1.08","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507120","36.622","0.01","13.41","0.004","7.948","0.002","90","","99.958","0.005","90","","3844.5","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Ni O11 -","- C32 H28 Ni O11 -","- C128 H112 Ni4 O44 -","4","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0589","0.043","","","0.1178","0.1254","","","","","","0.99","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507121","12.2288","0.0002","12.4347","0.0003","13.5116","0.001","92.751","0.006","109.419","0.008","106.704","0.007","1832.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DTPY-buU","","","- C22 H18 N2 O2 S2 -","- C22 H13.5 N2 O2 S2 -","- C88 H54 N8 O8 S8 -","4","2","","Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks","Crystal Growth & Design","2012","12","11","5815","","10.1021/cg301414s","","","1.54187","CuKα","","0.2838","0.0818","","","0.2358","0.2648","","","","","","0.983","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507122","11.105","0.016","8.731","0.007","23.51","0.02","90","","98.59","0.05","90","","2254","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DTPY-buU_CH2Cl2","","","- C23 H20 Cl2 N2 O2 S2 -","- C23 H20 Cl2 N2 O2 S2 -","- C92 H80 Cl8 N8 O8 S8 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks","Crystal Growth & Design","2012","12","11","5815","","10.1021/cg301414s","","","0.71075","MoKα","","0.2333","0.1262","","","0.3219","0.3777","","","","","","0.985","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507123","12.5214","0.0009","9.925","0.0003","16.9895","0.0012","90","","111.766","0.008","90","","1960.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DTPY-C","","","- C22 H19 N3 O S2 -","- C22.66 H19.66 N3 O S1.76 -","- C90.64 H78.64 N12 O4 S7.04 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks","Crystal Growth & Design","2012","12","11","5815","","10.1021/cg301414s","","","1.54187","CuKα","","0.0783","0.0634","","","0.1768","0.1875","","","","","","1.054","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507124","20.0919","0.0007","4.82854","0.00014","22.4026","0.0016","90","","101.226","0.007","90","","2131.79","0.19","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DTPY-A","","","- C23 H23 N5 O2 S2 -","- C23 H23 N5 O2 S2 -","- C92 H92 N20 O8 S8 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks","Crystal Growth & Design","2012","12","11","5815","","10.1021/cg301414s","","","1.54187","CuKα","","0.1275","0.0592","","","0.1134","0.1251","","","","","","0.92","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507125","10.0842","0.0013","12.0695","0.0016","12.6613","0.0016","75.278","0.002","66.588","0.002","69.051","0.002","1309.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl2 N4 O -","- C30 H28 Cl2 N4 O -","- C60 H56 Cl4 N8 O2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.057","0.0486","","","0.1243","0.1293","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507126","9.8153","0.0009","12.1738","0.001","15.2122","0.001","72.455","0.007","77.844","0.007","66.479","0.008","1580.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl2 N5 O2 -","- C33 H27 Cl2 N5 O2 -","- C66 H54 Cl4 N10 O4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.1344","0.057","","","0.1262","0.1502","","","","","","0.908","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507127","11.2549","0.0019","20.816","0.003","12.519","0.002","90","","103.413","0.017","90","","2853","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cl2 N4 O4 -","- C31 H26 Cl2 N4 O4 -","- C124 H104 Cl8 N16 O16 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.7107","MoKα","","0.2043","0.0755","","","0.1169","0.1468","","","","","","0.918","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507128","9.8401","0.0008","12.4069","0.001","13.0576","0.001","74.129","0.001","70.3","0.001","67.52","0.001","1367.5","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cl2 N4 O4 -","- C30 H26 Cl2 N4 O4 -","- C60 H52 Cl4 N8 O8 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.0761","0.0555","","","0.1467","0.1617","","","","","","1.044","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507129","9.5945","0.0012","11.0456","0.0012","14.4628","0.0011","110.173","0.009","95.859","0.009","94.929","0.009","1419.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N4 O4 S -","- C28 H28 Cl2 N4 O4 S -","- C56 H56 Cl4 N8 O8 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.1063","0.0497","","","0.0936","0.1069","","","","","","0.892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507130","11.6032","0.0013","15.361","0.002","18.733","0.003","111.337","0.014","91.28","0.011","109.295","0.011","2896.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl2 N5 O2 -","- C33 H27 Cl2 N5 O2 -","- C132 H108 Cl8 N20 O8 -","4","2","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.115","0.0586","","","0.1149","0.143","","","","","","0.998","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507131","10.8702","0.0006","11.2066","0.0006","13.8272","0.0008","82.354","0.005","88.96","0.005","63.492","0.006","1492.31","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl2 N4 O3 -","- C34 H28 Cl2 N4 O3 -","- C68 H56 Cl4 N8 O6 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.0716","0.0472","","","0.1209","0.1293","","","","","","1.027","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507132","10.0229","0.0018","17.772","0.003","15.592","0.003","90","","103.028","0.004","90","","2705.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl2 N4 O3 S -","- C28 H26 Cl1.956 N4 O3 S -","- C112 H104 Cl7.824 N16 O12 S4 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.0986","0.0715","","","0.1278","0.1381","","","","","","1.139","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507133","20.542","0.0008","14.8692","0.0005","15.0844","0.0006","90","","90","","90","","4607.4","0.3","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C20 Cu F6 Hf N4 O2.5 -","- C20 Cu F6 Hf N4 O2.5 -","- C160 Cu8 F48 Hf8 N32 O20 -","8","2","","Gautier, Romain; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","From Racemic Units to Polar Materials","Crystal Growth & Design","2012","12","12","6267","","10.1021/cg301539q","","x-ray","0.71073","MoKα","","0.0868","0.0518","","","0.1249","0.1399","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507134","5.6996","0.0006","12.8774","0.0013","18.4471","0.0018","90","","90","","90","","1353.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br N O3 -","- C14 H16 Br N O3 -","- C56 H64 Br4 N4 O12 -","4","1","","Gerard, Baudouin; O'Shea, Morgan Welzel; Donckele, Etienne; Kesavan, Sarathy; Akella, Lakshmi B.; Xu, Hao; Jacobsen, Eric N.; Marcaurelle, Lisa A.","Application of a catalytic asymmetric Povarov reaction using chiral ureas to the synthesis of a tetrahydroquinoline library.","ACS combinatorial science","2012","14","11","621","630","10.1021/co300098v","","","0.71073","MoKα","","0.027","0.0236","","","0.0587","0.06","","","","","","1.068","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507135","9.7393","0.0004","13.5428","0.0006","16.9533","0.0007","94.039","0.001","104.186","0.001","109.322","0.001","2017.54","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H21 Ag3 F18 N6 -","- C39 H21 Ag3 F18 N6 -","- C78 H42 Ag6 F36 N12 -","2","1","","Flores, Jaime A.; Komine, Nobuyuki; Pal, Kuntal; Pinter, Balazs; Pink, Maren; Chen, Chun-Hsing; Caulton, Kenneth G.; Mindiola, Daniel J.","Silver(I)-Catalyzed Insertion of Carbene into Alkane C‒H Bonds and the Origin of the Special Challenge of Methane Activation Using DFT as a Mechanistic Probe","ACS Catalysis","2012","2","10","2066","","10.1021/cs300256b","","","0.71073","MoKα","","0.0345","0.0233","","","0.0442","0.0479","","","","","","1.01","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507136","11.2332","0.0009","16.7375","0.0014","33.095","0.003","90","","90","","90","","6222.4","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","08212z","","","- C31 H31 Cl3 Cr N4 P -","- C31 H31 Cl3 Cr N4 P -","- C248 H248 Cl24 Cr8 N32 P8 -","8","1","","Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.","Selective Ethylene Tri-/Tetramerization Catalysts","ACS Catalysis","2012","2","12","2452","","10.1021/cs300488t","","","0.71073","MoKα","","0.0636","0.0363","","","0.0865","0.0953","","","","","","0.99","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507137","11.5487","0.0016","14.419","0.002","15.38","0.002","90","","90","","90","","2561.1","0.6","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H26 Cl3 Cr N3 P -","- C23 H26 Cl3 Cr N3 P -","- C92 H104 Cl12 Cr4 N12 P4 -","4","1","","Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.","Selective Ethylene Tri-/Tetramerization Catalysts","ACS Catalysis","2012","2","12","2452","","10.1021/cs300488t","","","0.71073","MoKα","","0.0613","0.0386","","","0.0802","0.0904","","","","","","1.021","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507138","10.788","0.002","12.131","0.005","16.206","0.005","89.72","0.02","71.49","0.03","64.83","0.02","1799.1","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","p-CymeneRu(2,6-Me2NacNac)OTf","","","- C33 H40 Cl3 F3 N2 O3 Ru S -","- C33 H40 Cl3 F3 N2 O3 Ru S -","- C66 H80 Cl6 F6 N4 O6 Ru2 S2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","MoKα","","0.1058","0.0631","","","0.1188","0.1386","","","","","","1.091","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507139","13.3963","0.0004","12.4531","0.0003","23.0725","0.0006","90","","106.164","0.003","90","","3696.92","0.18","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Cl3 F3 N2 O3 Ru S -","- C35 H44 Cl3 F3 N2 O3 Ru S -","- C140 H176 Cl12 F12 N8 O12 Ru4 S4 -","4","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","MoKα","","0.0349","0.027","","","0.0603","0.0653","","","","","","1.044","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507140","13.411","0.0009","14.9649","0.001","18.0317","0.0012","98.982","0.006","96.074","0.005","108.632","0.006","3340","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","C6H6Ru(2,6-Me2NacnacPhOTf.2THF","","","- C29.91 H29 Cl0.09 F2.73 N2 O2.73 Ru S0.91 -","- C29.909 H29 Cl0.091 F2.727 N2 O2.727 Ru S0.909 -","- C119.636 H116 Cl0.364 F10.908 N8 O10.908 Ru4 S3.636 -","4","2","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.71073","","","0.0898","0.0618","","","0.1532","0.1684","","","","","","0.961","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507141","7.7447","0.0002","12.5622","0.0004","12.1814","0.0004","90","","94.917","0.003","90","","1180.77","0.06","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","C6H6Ru(Me)2,6-MeNacnac","","","- C28 H34 N2 Ru -","- C28 H34 N2 Ru -","- C56 H68 N4 Ru2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of β-Diketiminato Arene-Substituted Ru(II) Complexes in Highly Efficient H2Dehydrocoupling of Amine Boranes","ACS Catalysis","2012","2","12","2505","","10.1021/cs300499d","","","0.7107","MoKα","","0.0192","0.0187","","","0.0466","0.047","","","","","","1.067","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507142","17.2281","0.0002","17.5318","0.0002","18.888","0.0002","90","","104.533","0.0005","90","","5522.39","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 B F25 N P2 Rh -","- C51 H48 B F25 N P2 Rh -","- C204 H192 B4 F100 N4 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0522","0.0395","","","0.0955","0.1044","","","","","","1.033","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507143","12.2384","0.0002","15.4948","0.0003","17.5543","0.0003","103.603","0.0007","109.864","0.0008","98.834","0.0007","2942.02","0.09","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C53 H51 B F24 N O P2 Rh S -","- C53 H51 B F24 N O P2 Rh S -","- C106 H102 B2 F48 N2 O2 P4 Rh2 S2 -","2","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0917","0.066","","","0.162","0.1787","","","","","","1.033","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507144","13.1403","0.0001","13.1403","0.0001","34.4622","0.0002","90","","90","","90","","5950.5","0.07","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C57 H52 B F26 P2 Rh -","- C57 H52 B F26 P2 Rh -","- C228 H208 B4 F104 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0443","0.0392","","","0.0959","0.0996","","","","","","1.023","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507145","17.7994","0.0001","17.3901","0.0002","19.0524","0.0002","90","","109.328","0.0004","90","","5564.97","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 B F25 P2 Rh -","- C52 H49 B F25 P2 Rh -","- C208 H196 B4 F100 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0637","0.0474","","","0.1217","0.1337","","","","","","1.015","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507146","12.6572","0.0001","13.247","0.0001","19.6804","0.0002","104.275","0.0005","106.494","0.0005","91.3854","0.0004","3050.53","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H56 B F26 P2 Rh -","- C59 H56 B F26 P2 Rh -","- C118 H112 B2 F52 P4 Rh2 -","2","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0653","0.0454","","","0.1086","0.1193","","","","","","1.033","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507147","13.8162","0.0001","18.0951","0.0001","26.4511","0.0003","90","","92.0377","0.0003","90","","6608.74","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H64 B F25 N P2 Rh -","- C63 H64 B F25 N P2 Rh -","- C252 H256 B4 F100 N4 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.078","0.0584","","","0.1438","0.1536","","","","","","1.078","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507148","12.747","0.001","14.427","0.001","19.799","0.001","90","","96.74","0.01","90","","3615.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cu N2 O -","- C39 H51 Cu N2 O -","- C156 H204 Cu4 N8 O4 -","4","1","","Pouy, Mark J.; Delp, Samuel A.; Uddin, Jamal; Ramdeen, Vijay M.; Cochrane, Nikki A.; Fortman, George C.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","Intramolecular Hydroalkoxylation and Hydroamination of Alkynes Catalyzed by Cu(I) Complexes Supported byN-Heterocyclic Carbene Ligands","ACS Catalysis","2012","2","10","2182","","10.1021/cs300544w","","","0.71073","MoKα","","0.0703","0.0427","","","0.1078","0.1195","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507149","14.5719","0.0015","17.2445","0.0018","7.3877","0.0008","90","","90","","90","","1856.4","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 Co O4 P -","- C19 H18 Co O4 P -","- C76 H72 Co4 O16 P4 -","4","1","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.032","0.0279","","","0.0665","0.0683","","","","","","1.049","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507150","9.0646","0.0008","9.2649","0.0008","11.4599","0.001","94.012","0.006","108.645","0.005","109.326","0.005","843.74","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Co O3 P -","- C16 H25 Co O3 P -","- C32 H50 Co2 O6 P2 -","2","1","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.0806","0.0592","","","0.1569","0.1798","","","","","","1.028","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507151","12.6461","0.0005","9.7325","0.0004","14.7834","0.0005","90","","110.949","0.002","90","","1699.24","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Co2 O6 P2 -","- C32 H50 Co2 O6 P2 -","- C64 H100 Co4 O12 P4 -","2","0.5","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.0373","0.0295","","","0.0699","0.0741","","","","","","1.059","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4510835","10.3322","0.0004","10.5059","0.0005","10.5715","0.0005","90","","90","","90","","1147.53","0.09","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N O2 Rh -","- C11 H18 N O2 Rh -","- C44 H72 N4 O8 Rh4 -","4","1","","Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas","Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer","ACS Catalysis","2012","2","2","246","","10.1021/cs200607s","","","0.71073","MoKα","","0.03","0.0254","","0.0454","0.0442","0.0454","","","1.082","","","1.082","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510836","32.151","0.004","9.3724","0.001","19.869","0.003","90","","107.394","0.009","90","","5713.4","1.3","208","2","208","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H38 P Rh -","- C35 H38 P Rh -","- C280 H304 P8 Rh8 -","8","1","","Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas","Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer","ACS Catalysis","2012","2","2","246","","10.1021/cs200607s","","","0.71073","MoKα","","0.0502","0.0403","","0.094","0.0905","0.094","","","1.247","","","1.247","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510837","16.9808","0.0003","8.2512","0.0001","27.3173","0.0005","90","","122.317","0.001","90","","3234.62","0.1","293","2","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 N2 Ru -","- C14 H22 Cl2 N2 Ru -","- C112 H176 Cl16 N16 Ru8 -","8","2","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","0.71073","MoKα","","0.0553","0.0333","","","0.09","0.128","","","","","","0.971","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510838","14.9645","0.0001","14.1657","0.0001","15.9196","0.0001","90","","90","","90","","3374.68","0.04","293","2","293","2","","","","","","","synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl2 N2 Ru -","- C17 H22 Cl2 N2 Ru -","- C136 H176 Cl16 N16 Ru8 -","8","1","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","1.54184","CuKα","","0.0218","0.0208","","","0.055","0.0556","","","","","","1.035","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510839","12.1026","0.0005","11.1887","0.0005","11.2215","0.0003","90","","93.417","0.002","90","","1516.83","0.1","293","2","293","2","","","","","","","synthesis","5","C 1 c 1","C -2yc","9","","","","- C13 H20 Cl2 N2 Ru -","- C13 H20 Cl2 N2 Ru -","- C52 H80 Cl8 N8 Ru4 -","4","1","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","0.71073","MoKα","","0.0328","0.0293","","","0.0894","0.1032","","","","","","1.167","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510840","11.898","0.004","9.901","0.009","27.23","0.005","90","","101.02","0.02","90","","3149","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Cl N O -","- C17 H26 Cl N O -","- C136 H208 Cl8 N8 O8 -","8","2","","Torres, Eva; Fernández, Roser; Miquet, Stéphanie; Font-Bardia, Mercè; Vanderlinden, Evelien; Naesens, Lieve; Vázquez, Santiago","Synthesis and Anti-influenza A Virus Activity of 2,2-Dialkylamantadines and Related Compounds","ACS Medicinal Chemistry Letters","2012","3","12","1065","","10.1021/ml300279b","","","0.71073","MoKα","","0.1572","0.0703","","","0.1085","0.1557","","","","","","1.308","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510842","29.022","0.0012","29.022","0.0012","5.8586","0.0012","90","","90","","120","","4273.5","0.9","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol methanol clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1268","0.0651","","","","0.1237","","","","","","1.067","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510843","29.0335","0.0013","29.0335","0.0013","5.841","0.0002","90","","90","","120","","4264","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1562","0.0659","","","","0.1458","","","","","","1.005","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510844","29.0243","0.0019","29.0243","0.0019","5.8381","0.0019","90","","90","","120","","4259.2","1.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.136","0.0451","","","","0.1004","","","","","","0.917","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510845","28.785","0.005","28.785","0.005","5.987","0.005","90","","90","","120","","4296","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-phenoxyphenol acetonitrile clathrate","","- C12.33 H10.5 N0.17 O2 -","- C12.3333 H10.5 N0.166667 O2 -","- C222 H189 N3 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","","neutron","","0.0874","0.0532","","","0.0925","0.0979","","","","","","1.344","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510846","29.0154","0.0018","29.0154","0.0018","5.8446","0.0018","90","","90","","120","","4261.3","1.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol methanol clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1413","0.0727","","","","0.1534","","","","","","1.071","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510847","28.995","0.0013","28.995","0.0013","5.945","0.0003","90","","90","","120","","4328.4","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol acetone clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.0634","0.0503","","","","0.1417","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510848","16.1551","0.0005","5.5958","0.0002","8.4538","0.0002","90","","90","","90","","764.23","0.04","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C24 H28 Br4 Cl4 N4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0267","0.0253","","","0.0599","0.0606","","","","","","1.017","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510849","7.6485","0.0001","6.6434","0.0001","17.5487","0.0003","90","","91.354","0.001","90","","891.44","0.02","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Cl I N O -","- C6 H9 Cl I N O -","- C24 H36 Cl4 I4 N4 O4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0162","0.0153","","","0.0402","0.0407","","","","","","1.084","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510850","7.8293","0.0002","6.7808","0.0002","17.7752","0.0004","90","","92.651","0.001","90","","942.66","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Br I N O -","- C6 H9 Br I N O -","- C24 H36 Br4 I4 N4 O4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0182","0.017","","","0.041","0.0416","","","","","","1.05","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510851","15.606","0.002","5.4026","0.0007","8.7865","0.0011","90","","90","","90","","740.82","0.16","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C24 H28 Br4 Cl4 N4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0259","0.0239","","","0.0614","0.0623","","","","","","1.084","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510853","9.2626","0.0001","9.797","0.0002","13.9686","0.0002","88.588","0.001","73.393","0.001","68.374","0.001","1124.57","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C53 H72 O4 -","- C53 H72 O4 -","- C53 H72 O4 -","1","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0703","0.0447","","","0.1159","0.1351","","","","","","1.031","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510854","9.5629","0.0002","11.0734","0.0003","23.6751","0.0005","90","","97.364","0.001","90","","2486.37","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H78 N2 O4 -","- C57 H78 N2 O4 -","- C114 H156 N4 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0754","0.0483","","","0.121","0.1381","","","","","","1.057","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510855","9.7348","0.0006","11.0149","0.0007","23.2365","0.0015","90","","96.505","0.002","90","","2475.6","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H76 N2 O4 -","- C55 H76 N2 O4 -","- C110 H152 N4 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0814","0.0585","","","0.1844","0.2205","","","","","","1.097","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510856","10.0975","0.0002","23.5055","0.0004","12.3564","0.0002","90","","100.877","0.001","90","","2880.06","0.09","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C63 H82 Br N3 O4 -","- C63 H82 Br N3 O4 -","- C126 H164 Br2 N6 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0866","0.0802","","","0.2193","0.2243","","","","","","1.044","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510857","15.3033","0.0014","16.0086","0.0012","11.7349","0.0011","90","","110.679","0.003","90","","2689.6","0.4","153","2","153","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C54 H78 O12 -","- C54 H78 O12 -","- C108 H156 O24 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.1057","0.0669","","","0.1883","0.2152","","","","","","1.032","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510858","9.8931","0.0003","10.4773","0.0003","14.153","0.0004","103.77","0.002","92.73","0.002","106.487","0.002","1355.77","0.07","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H80 N4 O4 -","- C58 H80 N4 O4 -","- C58 H80 N4 O4 -","1","0.5","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0836","0.0597","","","0.1796","0.2169","","","","","","1.116","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510859","18.4188","0.0005","23.1823","0.0006","26.0905","0.0006","90","","91.299","0.001","90","","11137.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 O9 -","- C60 H86 O9 -","- C480 H688 O72 -","8","2","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.087","0.0625","","","0.1848","0.2055","","","","","","1.173","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4517035","7.1418","0.0008","7.6788","0.0009","10.5822","0.0009","73.72","0.009","81.906","0.008","67.038","0.011","512.6","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","1","0.5","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.11","0.0411","","","0.0678","0.0768","","","","","","0.748","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517036","10.721","0.001","12.274","0.001","12.704","0.002","79.037","0.009","88.21","0.01","64.41","0.01","1477.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O8 -","- C32 H32 N4 O8 -","- C64 H64 N8 O16 -","2","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.2051","0.0941","","","0.2236","0.2606","","","","","","0.946","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517037","6.0716","0.0006","9.41","0.001","10.012","0.001","64.52","0.01","78.8","0.01","80.197","0.009","504.12","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O10 -","- C20 H22 N2 O10 -","- C20 H22 N2 O10 -","1","0.5","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.1491","0.057","","","0.0986","0.1267","","","","","","0.688","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517038","7.1154","0.0009","7.6589","0.0006","10.6261","0.0008","73.925","0.007","82.258","0.008","66.876","0.01","511.51","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O10 -","- C20 H22 N2 O10 -","- C20 H22 N2 O10 -","1","0.5","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.1206","0.0454","","","0.0938","0.1105","","","","","","0.767","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517039","8.31","0.0002","8.561","0.0002","13.769","0.0004","85.77","0.001","89.028","0.002","84.406","0.001","972.19","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O10 -","- C20 H18 N2 O10 -","- C40 H36 N4 O20 -","2","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.1917","0.0767","","","0.1888","0.222","","","","","","0.805","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517040","7.0584","0.0004","10.8433","0.0006","18.2878","0.001","90","","94.893","0.005","90","","1394.58","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.0742","0.0386","","","0.0839","0.0902","","","","","","0.914","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517041","7.932","0.004","11.302","0.0005","11.3062","0.0001","110.446","0.002","103.648","0.003","93.794","0.002","910.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C40 H36 N4 O16 -","2","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.1945","0.0846","","","0.2453","0.2892","","","","","","0.96","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517043","10.4956","0.0009","11.1647","0.0008","18.176","0.0016","86.743","0.007","76.427","0.007","64.585","0.008","1867.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N2 O4.5 -","- C17 H17 N2 O4.5 -","- C68 H68 N8 O18 -","4","2","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.2511","0.1307","","","0.3344","0.4257","","","","","","1.141","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517044","8.1128","0.0009","11.0482","0.0011","17.788","0.002","89.267","0.004","79.228","0.004","78.377","0.004","1533.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N2 O4 -","- C34 H48 N2 O4 -","- C68 H96 N4 O8 -","2","1","","Khorasani, Sanaz; Fernandes, Manuel A.; Perry, Christopher B.","Do 12-Membered Cycloalkane Rings Only Exist As One Conformation in the Solid-State? A Detailed Solid-State Analysis Involving Polymorphs of N,N′-Biscyclododecyl Pyromellitic Diimide","Crystal Growth & Design","2012","12","12","5908","","10.1021/cg300765b","","","0.71073","MoKα","","0.1766","0.0488","","","0.0908","0.1359","","","","","","0.678","","","","has coordinates","239712","2020-10-21","18:00:00",""
"4517045","19.5309","0.0007","10.1243","0.0004","17.5617","0.0006","90","","121.951","0.001","90","","2946.5","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 N2 O4 -","- C34 H48 N2 O4 -","- C136 H192 N8 O16 -","4","0.5","","Khorasani, Sanaz; Fernandes, Manuel A.; Perry, Christopher B.","Do 12-Membered Cycloalkane Rings Only Exist As One Conformation in the Solid-State? A Detailed Solid-State Analysis Involving Polymorphs of N,N′-Biscyclododecyl Pyromellitic Diimide","Crystal Growth & Design","2012","12","12","5908","","10.1021/cg300765b","","","0.71073","MoKα","","0.0621","0.0424","","","0.0987","0.1064","","","","","","1.021","","","","has coordinates","239713","2020-10-21","18:00:00",""
"4517046","5.0512","0.0008","12.027","0.003","14.251","0.003","90","","96.774","0.017","90","","859.7","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-ethoxybenzamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.","Molecular Conformation and Crystallization: The Case of Ethenzamide","Crystal Growth & Design","2012","12","12","6110","","10.1021/cg301244x","","","0.7107","MoKα","","0.253","0.1378","","","0.2961","0.3519","","","","","","1.143","","","","has coordinates","239714","2020-10-21","18:00:00",""
"4517047","5.0339","0.0005","11.8782","0.0013","14.1229","0.0015","90","","96.59","0.01","90","","838.88","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-ethoxybenzamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.","Molecular Conformation and Crystallization: The Case of Ethenzamide","Crystal Growth & Design","2012","12","12","6110","","10.1021/cg301244x","","","0.7107","MoKα","","0.0981","0.0504","","","0.12","0.1312","","","","","","0.947","","","","has coordinates","239714","2020-10-21","18:00:00",""
"4517048","7.3241","0.0007","13.5843","0.0009","14.8048","0.001","90","","95.715","0.007","90","","1465.6","0.2","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ethenzamide - 2,6-dihydroxybenzoic acid","2-ethoxybenzamide - 2,6-dihydroxybenzoic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.","Molecular Conformation and Crystallization: The Case of Ethenzamide","Crystal Growth & Design","2012","12","12","6110","","10.1021/cg301244x","","","0.7107","MoKα","","0.0941","0.0509","","","0.1209","0.1304","","","","","","0.895","","","","has coordinates","239714","2020-10-21","18:00:00",""
"4517049","14.9456","0.0009","14.5611","0.0006","7.7198","0.0005","90","","103.794","0.006","90","","1631.56","0.16","233","","233","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-ethoxybenzamide 3,5-dichlorobenzoic acid","","- C16 H15 Cl2 N O4 -","- C16 H15 Cl2 N O4 -","- C64 H60 Cl8 N4 O16 -","4","1","","Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.","Molecular Conformation and Crystallization: The Case of Ethenzamide","Crystal Growth & Design","2012","12","12","6110","","10.1021/cg301244x","","","0.7107","MoKα","","0.072","0.038","","","0.0886","0.0958","","","","","","0.89","","","","has coordinates","239714","2020-10-21","18:00:00",""
"4517050","21.559","0.001","13.4149","0.0007","11.4446","0.0004","90","","90","","90","","3309.9","0.3","120","2","120","2","","","","","","","Jose Giner Planas","7","P c c a","-P 2a 2ac","54","","","","- C16 H34 B20 Cl2 Co N2 O2 -","- C16 H34 B20 Cl2 Co N2 O2 -","- C64 H136 B80 Cl8 Co4 N8 O8 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.0819","0.0654","","","0.1413","0.1479","","","","","","1.178","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517051","18.545","0.004","13.04","0.003","14.563","0.003","90","","90","","90","","3521.7","1.3","100","2","100","2","","","","","","","Jose Giner Planas","7","P c c n","-P 2ab 2ac","56","","","","- C18 H42 B20 Cl2 Co N2 O4 -","- C18 H42 B20 Cl2 Co N2 O4 -","- C72 H168 B80 Cl8 Co4 N8 O16 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71075","MoKα","","0.0483","0.0456","","","0.096","0.0973","","","","","","1.17","","","","has coordinates","239715","2020-10-21","18:00:00",""
"4517052","21.4535","0.0006","12.1851","0.0003","12.9133","0.0004","90","","112.726","0.0014","90","","3113.63","0.15","120","2","120","2","","","","","","","Jose Giner Planas","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 B20 Cl2 Co N2 O2 -","- C16 H34 B20 Cl2 Co N2 O2 -","- C64 H136 B80 Cl8 Co4 N8 O8 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71069","MoKα","","0.1166","0.0878","","","0.201","0.2217","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517053","17.5338","0.0007","28.8699","0.0013","10.3153","0.0005","90","","101.881","0.001","90","","5109.7","0.4","120","2","120","2","","","","","","","Jose Giner Planas","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 B20 Cl2 Co N2 O6 -","- C36 H62 B20 Cl2 Co N2 O6 -","- C144 H248 B80 Cl8 Co4 N8 O24 -","4","1","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71069","MoKα","","0.1161","0.0959","","","0.1866","0.1976","","","","","","1.129","","","","has coordinates,has disorder","239715","2020-10-21","18:00:00",""
"4517054","14.4006","0.0003","22.0313","0.0005","23.8677","0.0005","90","","90","","90","","7572.4","0.3","120","2","120","2","","","","","","","Jose Giner Planas","7","P n a 21","P 2c -2n","33","","","","- C20 H44 B20 Cl2 Co N2 O3 -","- C20 H44 B20 Cl2 Co N2 O3 -","- C160 H352 B160 Cl16 Co8 N16 O24 -","8","2","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.0991","0.0736","","","0.1677","0.1812","","","","","","1.056","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517055","11.7395","0.0004","12.3117","0.0004","14.875","0.0005","76.758","0.002","76.878","0.002","64.632","0.002","1870.56","0.11","120","2","120","2","","","","","","","Jose Giner Planas","7","P -1","-P 1","2","","","","- C26 H42 B20 Cl2 Co N2 O2 -","- C26 H42 B20 Cl2 Co N2 O2 -","- C52 H84 B40 Cl4 Co2 N4 O4 -","2","1","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.1147","0.0787","","","0.1586","0.1814","","","","","","1.018","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"4517056","31.214","0.0016","15.642","0.0007","13.545","0.0006","90","","93.772","0.002","90","","6599","0.5","120","2","120","2","","","","","","","Jose Giner Planas","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H80 B40 Cl2 Co N4 O6 -","- C36 H80 B40 Cl2 Co N4 O6 -","- C144 H320 B160 Cl8 Co4 N16 O24 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71069","MoKα","","0.195","0.1357","","","0.3308","0.352","","","","","","1.477","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517057","10.9367","0.0002","10.1603","0.0002","13.3471","0.0003","90","","111.161","0.001","90","","1383.12","0.05","120","2","120","2","","","","","","","Jose Giner Planas","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 B20 Co N2 O2 -","- C16 H32 B20 Co N2 O2 -","- C32 H64 B40 Co2 N4 O4 -","2","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.0718","0.0544","","","0.1041","0.1132","","","","","","1.094","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517058","9.357","0.005","9.914","0.005","10.463","0.005","96.53","0.007","94.002","0.007","103.836","0.007","931.6","0.8","100","2","100","2","","","","","","","Jose Giner Planas","6","P -1","-P 1","2","","","","- C14 H20 B9 Co N2 O3 -","- C14 H20 B9 Co N2 O3 -","- C28 H40 B18 Co2 N4 O6 -","2","1","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71075","MoKα","","0.0628","0.0554","","","0.1245","0.1282","","","","","","1.086","","","","has coordinates","239715","2020-10-21","18:00:00",""
"7017472","8.589","0.004","8.942","0.004","17.243","0.009","90","","96.902","0.011","90","","1314.7","1.1","253","2","253","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(heptylammonium)tetraiodoplumbate(ii) PHASE IV","bis(heptylammonium)tetraiodoplumbate(II) PHASE IV","","- C14 H36 I4 N2 Pb -","- C14 H36 I4 N2 Pb -","- C28 H72 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1584","0.1458","","","0.4231","0.4512","","","","","","2.127","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017473","9.0126","0.0002","8.7087","0.0002","34.5612","0.001","90","","90","","90","","2712.64","0.12","278","2","278","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(heptylammonium)tetraiodoplumbate(ii) PHASE III","bis(heptylammonium)tetraiodoplumbate(II) PHASE III","","- C14 H36 I4 N2 Pb -","- C14 H36 I4 N2 Pb -","- C56 H144 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1033","0.0764","","","0.153","0.1597","","","","","","1.215","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017474","8.8549","0.0015","8.684","0.0019","36.612","0.013","90","","90","","90","","2815.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(heptylammonium)tetraiodoplumbate(ii) PHASE II","bis(heptylammonium)tetraiodoplumbate(II) PHASE II","","- C14 H36 I4 N2 Pb -","- C14 H36 I4 N2 Pb -","- C56 H144 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.3144","0.174","","","0.2889","0.3394","","","","","","1.055","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017475","8.4542","0.0009","8.9916","0.001","18.738","0.003","90","","96.301","0.008","90","","1415.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(octylammonium)tetraiodoplumbate(ii) PHASE III","bis(octylammonium)tetraiodoplumbate(II) PHASE III","","- C16 H40 I4 N2 Pb -","- C16 H40 I4 N2 Pb -","- C32 H80 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1621","0.1484","","","0.41","0.4379","","","","","","1.986","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017476","8.9817","0.0004","8.6886","0.0003","37.4821","0.0018","90","","90","","90","","2925","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(octylammonium)tetraiodoplumbate(ii) PHASE II","bis(octylammonium)tetraiodoplumbate(II) PHASE II","","- C16 H40 I4 N2 Pb -","- C16 H40 I4 N2 Pb -","- C64 H160 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.0821","0.065","","","0.1289","0.1334","","","","","","1.278","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017477","8.7436","0.0003","8.744","0.0003","40.0276","0.0018","90","","90","","90","","3060.3","0.2","314","2","314","2","","","","","","","","5","A c a m","-A 2 2ab","64","bis(octylammonium)tetraiodoplumbate(ii) PHASE I","bis(octylammonium)tetraiodoplumbate(II) PHASE I","","- C16 H40 I4 N2 Pb -","- C16 H40 I4 N2 Pb -","- C64 H160 I16 N8 Pb4 -","4","","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.0636","0.0428","","","0.1097","0.1256","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017478","8.7054","0.0011","8.8401","0.001","19.791","0.003","90","","96.376","0.009","90","","1513.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(nonylammonium)tetraiodoplumbate(ii) PHASE III","bis(nonylammonium)tetraiodoplumbate(II) PHASE III","","- C18 H44 I4 N2 Pb -","- C18 H44 I4 N2 Pb -","- C36 H88 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1177","0.0862","","","0.2025","0.2299","","","","","","1.081","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017479","9.0232","0.0002","8.7054","0.0002","39.7578","0.0009","90","","90","","90","","3123","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(nonylammonium)tetraiodoplumbate(ii) PHASE II","bis(nonylammonium)tetraiodoplumbate(II) PHASE II","","- C18 H44 I4 N2 Pb -","- C18 H44 I4 N2 Pb -","- C72 H176 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.089","0.0672","","","0.1417","0.148","","","","","","1.237","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017480","8.433","0.003","8.95","0.004","21.33","0.009","90","","96.107","0.01","90","","1600.8","1.1","243","2","243","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(decylammonium)tetraiodoplumbate(ii) PHASE IV","bis(decylammonium)tetraiodoplumbate(II) PHASE IV","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C40 H96 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1075","0.0952","","","0.2602","0.2768","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017481","8.8314","0.0002","8.4871","0.0002","43.9491","0.0013","90","","90","","90","","3294.12","0.15","268","2","268","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(decylammonium)tetraiodoplumbate(ii) PHASE III","bis(decylammonium)tetraiodoplumbate(II) PHASE III","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.096","0.0847","","","0.1967","0.2021","","","","","","1.404","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017482","8.8339","0.0002","8.4845","0.0002","43.9647","0.0008","90","","90","","90","","3295.21","0.12","268","2","268","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(decylammonium)tetraiodoplumbate(ii) PHASE II","bis(decylammonium)tetraiodoplumbate(II) PHASE II","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1133","0.101","","","0.2367","0.2423","","","","","","1.421","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017483","8.9708","0.0002","8.6733","0.0002","42.5696","0.0012","90","","90","","90","","3312.19","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(decylammonium)tetraiodoplumbate(ii) PHASE II","bis(decylammonium)tetraiodoplumbate(II) PHASE II","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.123","0.0919","","","0.1991","0.2085","","","","","","1.311","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017484","8.9807","0.0002","8.6742","0.0002","42.5253","0.0014","90","","90","","90","","3312.74","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(decylammonium)tetraiodoplumbate(ii) PHASE II","bis(decylammonium)tetraiodoplumbate(II) PHASE II","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1738","0.1516","","","0.3404","0.3501","","","","","","1.44","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017485","8.7152","0.0018","8.7115","0.0019","47.479","0.011","90","","90","","90","","3604.7","1.4","343","2","343","2","","","","","","","","5","A c a m","-A 2 2ab","64","bis(decylammonium)tetraiodoplumbate(ii) PHASE I","bis(decylammonium)tetraiodoplumbate(II) PHASE I","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1606","0.1086","","","0.2622","0.3295","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017486","10.9913","0.0004","21.1116","0.0007","58.133","0.002","90","","90","","90","","13489.4","0.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H18 B2 F42 Fe N6 O6 S6 -","- C56 H18 B2 F42 Fe N6 O6 S6 -","- C448 H144 B16 F336 Fe8 N48 O48 S48 -","8","1","","Voloshin, Y. Z.; Belaya, I. G.; Belov, A. S.; Platonov, V. E.; Maksimov, A. M.; Vologzhanina, A. V.; Starikova, Z. A.; Dolganov, A. V.; Novikov, V. V.; Bubnov, Y. N.","Formation of the second superhydrophobic shell around an encapsulated metal ion: synthesis, X-ray structure and electrochemical study of the clathrochelate and bis-clathrochelate iron(II) and cobalt(II, III) dioximates with ribbed perfluoroarylsulfide substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","737","746","10.1039/c1dt10500k","","","0.71073","MoKα","","0.0748","0.0546","","","0.1127","0.1231","","","","","","1.018","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017487","17.063","0.004","23.635","0.005","16.258","0.003","90","","104.103","0.005","90","","6359","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51.75 H22 B2 Co F30 N6 O6 S6 -","- C51.75 H22 B2 Co F30 N6 O6 S6 -","- C207 H88 B8 Co4 F120 N24 O24 S24 -","4","1","","Voloshin, Y. Z.; Belaya, I. G.; Belov, A. S.; Platonov, V. E.; Maksimov, A. M.; Vologzhanina, A. V.; Starikova, Z. A.; Dolganov, A. V.; Novikov, V. V.; Bubnov, Y. N.","Formation of the second superhydrophobic shell around an encapsulated metal ion: synthesis, X-ray structure and electrochemical study of the clathrochelate and bis-clathrochelate iron(II) and cobalt(II, III) dioximates with ribbed perfluoroarylsulfide substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","737","746","10.1039/c1dt10500k","","","0.71073","MoKα","","0.16","0.0995","","","0.2003","0.2234","","","","","","1.02","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017488","16.399","0.003","17.273","0.003","23.26","0.004","70.408","0.003","86.475","0.003","86.659","0.003","6190.5","1.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H18 B2 Cl6 Co F24 N6 O6 S6 -","- C50 H18 B2 Cl6 Co F24 N6 O6 S6 -","- C200 H72 B8 Cl24 Co4 F96 N24 O24 S24 -","4","2","","Voloshin, Y. Z.; Belaya, I. G.; Belov, A. S.; Platonov, V. E.; Maksimov, A. M.; Vologzhanina, A. V.; Starikova, Z. A.; Dolganov, A. V.; Novikov, V. V.; Bubnov, Y. N.","Formation of the second superhydrophobic shell around an encapsulated metal ion: synthesis, X-ray structure and electrochemical study of the clathrochelate and bis-clathrochelate iron(II) and cobalt(II, III) dioximates with ribbed perfluoroarylsulfide substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","737","746","10.1039/c1dt10500k","","","0.71073","MoKα","","0.0869","0.0541","","","0.109","0.1253","","","","","","1.024","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017489","34.891","0.002","8.0944","0.0005","27.1775","0.0018","90","","120.078","0.002","90","","6642","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H18 B2 Co F42 N6 O6 S6 -","- C56 H18 B2 Co F42 N6 O6 S6 -","- C224 H72 B8 Co4 F168 N24 O24 S24 -","4","0.5","","Voloshin, Y. Z.; Belaya, I. G.; Belov, A. S.; Platonov, V. E.; Maksimov, A. M.; Vologzhanina, A. V.; Starikova, Z. A.; Dolganov, A. V.; Novikov, V. V.; Bubnov, Y. N.","Formation of the second superhydrophobic shell around an encapsulated metal ion: synthesis, X-ray structure and electrochemical study of the clathrochelate and bis-clathrochelate iron(II) and cobalt(II, III) dioximates with ribbed perfluoroarylsulfide substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","737","746","10.1039/c1dt10500k","","","0.71073","MoKα","","0.0787","0.0643","","","0.1398","0.1482","","","","","","1.08","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017490","13.3708","0.0014","14.1004","0.0015","16.1554","0.0018","75.206","0.002","79.49","0.002","76.152","0.002","2835.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H18 B2 Co3 F60 N12 O12 S12 -","- C92 H18 B2 Co3 F60 N12 O12 S12 -","- C92 H18 B2 Co3 F60 N12 O12 S12 -","1","0.5","","Voloshin, Y. Z.; Belaya, I. G.; Belov, A. S.; Platonov, V. E.; Maksimov, A. M.; Vologzhanina, A. V.; Starikova, Z. A.; Dolganov, A. V.; Novikov, V. V.; Bubnov, Y. N.","Formation of the second superhydrophobic shell around an encapsulated metal ion: synthesis, X-ray structure and electrochemical study of the clathrochelate and bis-clathrochelate iron(II) and cobalt(II, III) dioximates with ribbed perfluoroarylsulfide substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","737","746","10.1039/c1dt10500k","","","0.71073","MoKα","","0.1036","0.0597","","","0.1159","0.1299","","","","","","0.914","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017491","17.575","0.004","17.691","0.003","15.398","0.003","90","","90","","90","","4787.5","1.6","100","2","100","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C17 H23 Cl3 Cu N2 O4 S2 -","- C17 H23 Cl3 Cu N2 O4 S2 -","- C136 H184 Cl24 Cu8 N16 O32 S16 -","8","2","","Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","424","431","10.1039/c1dt10629e","","","0.71073","MoKα","","0.1282","0.0756","","","0.1955","0.247","","","","","","1.056","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017492","10.2597","0.0015","12.9616","0.0006","14.459","0.002","86.108","0.007","75.151","0.014","74.714","0.007","1792.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H0 Cu In0 O P2 S2 -","- C41 H33 Cu O P2 S2 -","- C82 H66 Cu2 O2 P4 S4 -","2","1","","Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","424","431","10.1039/c1dt10629e","","","0.71073","MoKα","","0.0745","0.0502","","","0.1277","0.1366","","","","","","0.935","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017493","13.1","0.0003","17.9804","0.0004","18.1855","0.0003","90","","90","","90","","4283.47","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H37 Cu O2 P2 S4 -","- C46 H37 Cu O2 P2 S4 -","- C184 H148 Cu4 O8 P8 S16 -","4","1","","Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","424","431","10.1039/c1dt10629e","","","0.71073","MoKα","","0.0727","0.0436","","","0.0914","0.098","","","","","","0.916","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017494","10.5195","0.001","13.8376","0.0012","14.583","0.0012","90","","92.567","0.008","90","","2120.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H14 Cu N2 O5 S2 -","- C22 H14 Cu N2 O5 S2 -","- C88 H56 Cu4 N8 O20 S8 -","4","2","","Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","424","431","10.1039/c1dt10629e","","","0.71073","MoKα","","0.1432","0.1081","","","0.2794","0.2986","","","","","","1.035","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017495","15.5066","0.0004","22.9558","0.0007","25.1741","0.0007","90","","90","","90","","8961.1","0.4","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C155 H218 Co2 N32 O51 P2 -","- C155 H218 Co2 N32 O51 P2 -","- C310 H436 Co4 N64 O102 P4 -","2","0.5","","Zobi, Fabio; Blacque, Olivier; Jacobs, Robert A.; Schaub, Marcus C.; Bogdanova, Anna Yu","17 e- rhenium dicarbonyl CO-releasing molecules on a cobalamin scaffold for biological application.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","370","378","10.1039/c1dt10649j","","","0.71073","MoKα","","0.1474","0.0706","","","0.1405","0.1588","","","","","","0.891","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017496","15.8806","0.0002","21.8255","0.0003","26.2738","0.0004","90","","90","","90","","9106.6","0.2","183","2","183","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67.4 H106 Br0.47 Co N14 O23.4 P Re0.47 -","- C67.3941 H106 Br0.4647 Co N14 O23.3941 P Re0.4647 -","- C269.576 H424 Br1.8588 Co4 N56 O93.5764 P4 Re1.8588 -","4","1","","Zobi, Fabio; Blacque, Olivier; Jacobs, Robert A.; Schaub, Marcus C.; Bogdanova, Anna Yu","17 e- rhenium dicarbonyl CO-releasing molecules on a cobalamin scaffold for biological application.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","370","378","10.1039/c1dt10649j","","","0.71073","MoKα","","0.0932","0.0656","","","0.1816","0.1884","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017497","18.9854","0.0016","10.9239","0.0009","40.018","0.007","90","","90","","90","","8299.5","1.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36.5 H28 Cl5 F10 Ir N7 P -","- C36.5 H28 Cl5 F10 Ir N7 P -","- C292 H224 Cl40 F80 Ir8 N56 P8 -","8","2","","Kessler, Florian; Costa, Rubén D; Di Censo, Davide; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Meier, Sebastian; Sarfert, Wiebke; Grätzel, Michael; Nazeeruddin, Md Khaja; Baranoff, Etienne","Near-UV to red-emitting charged bis-cyclometallated iridium(III) complexes for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","180","191","10.1039/c1dt10698h","","","0.71073","MoKα","","0.0436","0.039","","","0.087","0.0893","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017498","11.384","0.002","13.3335","0.0012","16.662","0.003","85.227","0.014","89.374","0.013","68.736","0.008","2348.2","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H31 Cl2 F10 Ir N5 O4 P -","- C41 H31 Cl2 F10 Ir N5 O4 P -","- C82 H62 Cl4 F20 Ir2 N10 O8 P2 -","2","1","","Kessler, Florian; Costa, Rubén D; Di Censo, Davide; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Meier, Sebastian; Sarfert, Wiebke; Grätzel, Michael; Nazeeruddin, Md Khaja; Baranoff, Etienne","Near-UV to red-emitting charged bis-cyclometallated iridium(III) complexes for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","180","191","10.1039/c1dt10698h","","","0.71073","MoKα","","0.0293","0.0248","","","0.0594","0.062","","","","","","1.095","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017499","12.3624","0.0004","18.486","0.004","18.518","0.002","84.272","0.014","73.057","0.005","70.988","0.005","3827.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H27.5 Cl2.5 F10 Ir N5 P -","- C37.25 H27.5 Cl2.5 F10 Ir N5 P -","- C149 H110 Cl10 F40 Ir4 N20 P4 -","4","2","","Kessler, Florian; Costa, Rubén D; Di Censo, Davide; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Meier, Sebastian; Sarfert, Wiebke; Grätzel, Michael; Nazeeruddin, Md Khaja; Baranoff, Etienne","Near-UV to red-emitting charged bis-cyclometallated iridium(III) complexes for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","180","191","10.1039/c1dt10698h","","","0.71073","MoKα","","0.051","0.0316","","","0.0634","0.0731","","","","","","1.114","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017500","16.874","0.002","13.0638","0.0019","18.0002","0.0014","90","","102.348","0.008","90","","3876.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl4 F6 Ir N5 P -","- C38 H33 Cl4 F6 Ir N5 P -","- C152 H132 Cl16 F24 Ir4 N20 P4 -","4","1","","Kessler, Florian; Costa, Rubén D; Di Censo, Davide; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Meier, Sebastian; Sarfert, Wiebke; Grätzel, Michael; Nazeeruddin, Md Khaja; Baranoff, Etienne","Near-UV to red-emitting charged bis-cyclometallated iridium(III) complexes for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","180","191","10.1039/c1dt10698h","","","0.71073","MoKα","","0.0568","0.0377","","","0.081","0.091","","","","","","1.075","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017501","12.1292","0.0018","22.928","0.003","17.637","0.003","90","","100.421","0.013","90","","4823.9","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 Cl4 F6 Ir N5 O4 P -","- C42 H37 Cl4 F6 Ir N5 O4 P -","- C168 H148 Cl16 F24 Ir4 N20 O16 P4 -","4","1","","Kessler, Florian; Costa, Rubén D; Di Censo, Davide; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Meier, Sebastian; Sarfert, Wiebke; Grätzel, Michael; Nazeeruddin, Md Khaja; Baranoff, Etienne","Near-UV to red-emitting charged bis-cyclometallated iridium(III) complexes for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","180","191","10.1039/c1dt10698h","","","0.71073","MoKα","","0.0936","0.0682","","","0.1464","0.1576","","","","","","1.132","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017502","7.1273","0.0007","14.2131","0.0009","34.705","0.002","90","","90","","90","","3515.7","0.5","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H27 Ag5 N10 O18 S4 -","- C20 H27 Ag5 N10 O18 S4 -","- C80 H108 Ag20 N40 O72 S16 -","4","0.5","","Leszczyński, Piotr J; Budzianowski, Armand; Dobrzycki, Lukasz; Cyrański, Michał K; Derzsi, Mariana; Grochala, Wojciech","Thermal and chemical decomposition of di(pyrazine)silver(II) peroxydisulfate and unusual crystal structure of a Ag(I) by-product.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","396","402","10.1039/c1dt10744e","","","0.71073","MoKα","","0.0904","0.0702","","","0.2242","0.232","","","","","","1.119","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017503","9.8623","0.0004","9.9754","0.0003","11.6153","0.0004","92.339","0.002","96.566","0.002","109.941","0.002","1063.26","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Ag4 Br4 N8 -","- C42 H40 Ag4 Br4 N8 -","- C42 H40 Ag4 Br4 N8 -","1","0.5","","Paulose, Tressia A. P.; Wu, Shih-Chang; Olson, Jeremy A.; Chau, Tony; Theaker, Nikki; Hassler, Matt; Quail, J. Wilson; Foley, Stephen R.","Bis-diimidazolylidine complexes of nickel: investigations into nickel catalyzed coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","251","260","10.1039/c1dt10858a","","","0.71073","MoKα","","0.0834","0.0666","","","0.1752","0.188","","","","","","1.053","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017504","30.461","0.002","7.8144","0.0008","22.228","0.002","90","","120.533","0.004","90","","4557.4","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H47 Cl4 N9 O Pd2 -","- C45 H47 Cl4 N9 O Pd2 -","- C180 H188 Cl16 N36 O4 Pd8 -","4","0.5","","Paulose, Tressia A. P.; Wu, Shih-Chang; Olson, Jeremy A.; Chau, Tony; Theaker, Nikki; Hassler, Matt; Quail, J. Wilson; Foley, Stephen R.","Bis-diimidazolylidine complexes of nickel: investigations into nickel catalyzed coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","251","260","10.1039/c1dt10858a","","","0.71073","MoKα","","0.0787","0.0464","","","0.0818","0.0936","","","","","","1.041","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017505","11.8395","0.0003","13.6055","0.0004","13.846","0.0003","80.971","0.002","69.9533","0.0015","73.854","0.0016","2007.88","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H100 Br2 N12 Ni O4 -","- C70 H100 Br2 N12 Ni O4 -","- C70 H100 Br2 N12 Ni O4 -","1","0.5","","Paulose, Tressia A. P.; Wu, Shih-Chang; Olson, Jeremy A.; Chau, Tony; Theaker, Nikki; Hassler, Matt; Quail, J. Wilson; Foley, Stephen R.","Bis-diimidazolylidine complexes of nickel: investigations into nickel catalyzed coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","251","260","10.1039/c1dt10858a","","","0.71073","MoKα","","0.0711","0.0495","","","0.1241","0.1347","","","","","","1.045","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017506","9.8058","0.0003","10.625","0.0004","11.212","0.0005","63.075","0.002","67.743","0.002","71.563","0.002","948.97","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Br2 N8 Ni -","- C42 H40 Br2 N8 Ni -","- C42 H40 Br2 N8 Ni -","1","0.5","","Paulose, Tressia A. P.; Wu, Shih-Chang; Olson, Jeremy A.; Chau, Tony; Theaker, Nikki; Hassler, Matt; Quail, J. Wilson; Foley, Stephen R.","Bis-diimidazolylidine complexes of nickel: investigations into nickel catalyzed coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","251","260","10.1039/c1dt10858a","","","0.71073","MoKα","","0.0674","0.0423","","","0.0954","0.1059","","","","","","1.063","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017507","13.5287","0.0008","13.6315","0.0008","14.4829","0.0008","87.53","0.002","74.001","0.002","77.048","0.002","2501.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H51 Cl2 Gd2 N6 Ni2 O28.5 -","- C34 H38 Cl2 Gd2 N6 Ni2 O28.5 -","- C68 H76 Cl4 Gd4 N12 Ni4 O57 -","2","1","","Meng, Zhao-Sha; Guo, Fu-Sheng; Liu, Jun-Liang; Leng, Ji-Dong; Tong, Ming-Liang","Heterometallic cubane-like {M(2)Ln(2)} (M = Ni, Zn; Ln =, Gd, Dy) and {Ni(2)Y(2)} aggregates. Synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2320","2329","10.1039/c1dt10869g","","","0.71073","MoKα","","0.111","0.0762","","","0.2047","0.2425","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017508","13.5277","0.0011","13.7748","0.001","14.4488","0.0009","85.942","0.002","73.504","0.002","76.267","0.002","2507.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H51 Cl2 N6 Ni2 O28.5 Y2 -","- C34 H38 Cl2 N6 Ni2 O28.5 Y2 -","- C68 H76 Cl4 N12 Ni4 O57 Y4 -","2","1","","Meng, Zhao-Sha; Guo, Fu-Sheng; Liu, Jun-Liang; Leng, Ji-Dong; Tong, Ming-Liang","Heterometallic cubane-like {M(2)Ln(2)} (M = Ni, Zn; Ln =, Gd, Dy) and {Ni(2)Y(2)} aggregates. Synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2320","2329","10.1039/c1dt10869g","","","0.71073","MoKα","","0.1485","0.0981","","","0.2566","0.3105","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017509","14.5742","0.0005","14.6738","0.0005","15.5769","0.0005","112.703","0.001","98.505","0.001","96.221","0.001","2988.96","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H64 Cl Gd2 N6 O25.5 Zn2 -","- C42 H61 Cl Gd2 N6 O25.5 Zn2 -","- C84 H122 Cl2 Gd4 N12 O51 Zn4 -","2","1","","Meng, Zhao-Sha; Guo, Fu-Sheng; Liu, Jun-Liang; Leng, Ji-Dong; Tong, Ming-Liang","Heterometallic cubane-like {M(2)Ln(2)} (M = Ni, Zn; Ln =, Gd, Dy) and {Ni(2)Y(2)} aggregates. Synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2320","2329","10.1039/c1dt10869g","","","0.71073","MoKα","","0.0658","0.0477","","","0.1288","0.1455","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017510","14.3535","0.0007","22.2211","0.0011","17.3358","0.0009","90","","99.586","0.001","90","","5452.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Cl Dy2 N6 Ni2 O24.5 -","- C40 H57 Cl Dy2 N6 Ni2 O24.5 -","- C160 H228 Cl4 Dy8 N24 Ni8 O98 -","4","1","","Meng, Zhao-Sha; Guo, Fu-Sheng; Liu, Jun-Liang; Leng, Ji-Dong; Tong, Ming-Liang","Heterometallic cubane-like {M(2)Ln(2)} (M = Ni, Zn; Ln =, Gd, Dy) and {Ni(2)Y(2)} aggregates. Synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2320","2329","10.1039/c1dt10869g","","","0.71073","MoKα","","0.0403","0.0356","","","0.094","0.0968","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017511","14.473","0.002","14.581","0.002","15.444","0.002","112.537","0.002","98.652","0.002","95.948","0.002","2929.2","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H64 Cl Dy2 N6 O25.5 Zn2 -","- C42 H61 Cl Dy2 N6 O25.5 Zn2 -","- C84 H122 Cl2 Dy4 N12 O51 Zn4 -","2","1","","Meng, Zhao-Sha; Guo, Fu-Sheng; Liu, Jun-Liang; Leng, Ji-Dong; Tong, Ming-Liang","Heterometallic cubane-like {M(2)Ln(2)} (M = Ni, Zn; Ln =, Gd, Dy) and {Ni(2)Y(2)} aggregates. Synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2320","2329","10.1039/c1dt10869g","","","0.71073","MoKα","","0.0598","0.0518","","","0.1464","0.1551","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017512","6.544","0.011","10.621","0.019","14.77","0.03","88.23","0.05","82.95","0.03","87.18","0.05","1017","3","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Cl3 Cr N0 O6 -","- C18 H17 Cl3 Cr O6 -","- C36 H34 Cl6 Cr2 O12 -","2","1","","Patra, Malay; Merz, Klaus; Metzler-Nolte, Nils","Planar chiral (η6-arene)Cr(CO)3 containing carboxylic acid derivatives: synthesis and use in the preparation of organometallic analogues of the antibiotic platensimycin.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","112","117","10.1039/c1dt10918a","","","0.71073","MoKα","","0.083","0.0578","","","0.1278","0.1461","","","","","","1.022","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017513","8.523","0.019","12.07","0.02","15.87","0.03","90","","100.22","0.02","90","","1607","5","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cr N0 O6 -","- C17 H16 Cr O6 -","- C68 H64 Cr4 O24 -","4","1","","Patra, Malay; Merz, Klaus; Metzler-Nolte, Nils","Planar chiral (η6-arene)Cr(CO)3 containing carboxylic acid derivatives: synthesis and use in the preparation of organometallic analogues of the antibiotic platensimycin.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","112","117","10.1039/c1dt10918a","","","0.71073","MoKα","","0.1668","0.0982","","","0.1396","0.1707","","","","","","1.062","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017514","11.9319","0.001","22.7781","0.0019","21.1246","0.0017","90","","104.303","0.004","90","","5563.4","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H96 La2 N12 O33 -","- C96 H96 La2 N12 O33 -","- C192 H192 La4 N24 O66 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.0999","0.0462","","","0.0695","0.0767","","","","","","1.036","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017515","11.3947","0.0005","15.8766","0.0006","17.5415","0.0007","78.893","0.001","87.493","0.002","76.854","0.001","3032.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H54 Er N6 O18 -","- C51 H54 Er N6 O18 -","- C102 H108 Er2 N12 O36 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.0554","0.0393","","","0.0877","0.0928","","","","","","1.047","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017516","11.961","0.002","22.678","0.003","21.079","0.003","90","","104.39","0.007","90","","5538.3","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H96 N12 O33 Pr2 -","- C96 H96 N12 O33 Pr2 -","- C192 H192 N24 O66 Pr4 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.1297","0.0555","","","0.0854","0.0988","","","","","","0.982","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017517","19.755","0.003","19.755","0.003","53.209","0.011","90","","90","","120","","17983","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C96 H96 N12 Nd2 O33 -","- C96 H96 N12 Nd2 O33 -","- C576 H576 N72 Nd12 O198 -","6","0.333333","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.0642","0.0473","","","0.1411","0.1507","","","","","","1.068","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017518","19.682","0.005","19.682","0.005","53.28","0.03","90","","90","","120","","17874","12","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C96 H96 Eu2 N12 O33 -","- C96 H96 Eu2 N12 O33 -","- C576 H576 Eu12 N72 O198 -","6","0.333333","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.1317","0.0712","","","0.2049","0.2666","","","","","","1.043","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017519","11.721","0.007","14.11","0.009","19.522","0.012","81.873","0.007","88.382","0.008","66.118","0.007","2921","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H54 La N6 O18 -","- C51 H54 La N6 O18 -","- C102 H108 La2 N12 O36 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.0996","0.058","","","0.1077","0.1173","","","","","","1.007","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017520","11.732","0.008","14.149","0.01","19.594","0.014","81.871","0.007","88.384","0.007","66.055","0.007","2941","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H54 N6 O18 Pr -","- C51 H54 N6 O18 Pr -","- C102 H108 N12 O36 Pr2 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.1058","0.0644","","","0.1355","0.1471","","","","","","0.947","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017521","11.7509","0.0008","14.0863","0.0009","19.5636","0.0014","81.903","0.003","88.26","0.003","66.215","0.003","2932.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H54 N6 Nd O18 -","- C51 H54 N6 Nd O18 -","- C102 H108 N12 Nd2 O36 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.0392","0.0315","","","0.062","0.0643","","","","","","1.035","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017522","11.4625","0.0003","15.9942","0.0004","17.5529","0.0004","78.574","0.001","86.791","0.001","77.077","0.001","3074.14","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H54 Eu N6 O18 -","- C51 H54 Eu N6 O18 -","- C102 H108 Eu2 N12 O36 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.063","0.0417","","","0.0863","0.0926","","","","","","1.049","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017523","11.4447","0.0007","15.9902","0.0011","17.5724","0.0012","78.616","0.003","87.019","0.003","76.896","0.003","3070.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H54 N6 O18 Tb -","- C51 H54 N6 O18 Tb -","- C102 H108 N12 O36 Tb2 -","2","1","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.0427","0.0325","","","0.0703","0.0731","","","","","","1.011","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017524","11.5902","0.0002","18.9804","0.0003","14.048","0.0002","90","","95.5696","0.0009","90","","3075.78","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 N3 -","- C6 H15 N3 -","- C96 H240 N48 -","16","4","","Sicking, Constantin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silylation products of cyclic tri-aminal carbanions and their lithiation.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","104","111","10.1039/c1dt10943j","","","0.71073","MoKα","","0.0565","0.0409","","","0.1025","0.1158","","","","","","1.01","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017525","8.2646","0.0005","13.3023","0.0008","16.6558","0.0007","90","","96.95","0.004","90","","1817.65","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H34 N6 Si -","- C14 H34 N6 Si -","- C56 H136 N24 Si4 -","4","1","","Sicking, Constantin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silylation products of cyclic tri-aminal carbanions and their lithiation.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","104","111","10.1039/c1dt10943j","","","0.71073","MoKα","","0.06","0.0428","","","0.1038","0.115","","","","","","1.026","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017526","6.7426","0.0002","15.1934","0.0003","21.4697","0.0005","90","","90","","90","","2199.42","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H15 Cl2 N3 Si -","- C6 H15 Cl2 N3 Si -","- C48 H120 Cl16 N24 Si8 -","8","1","","Sicking, Constantin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silylation products of cyclic tri-aminal carbanions and their lithiation.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","104","111","10.1039/c1dt10943j","","","0.71073","MoKα","","0.0339","0.0327","","","0.0709","0.0714","","","","","","1.213","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017527","7.0976","0.0011","12.225","0.002","12.2926","0.0017","61.357","0.006","77.351","0.007","86.35","0.006","912.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H66 Li2 N12 Si2 -","- C28 H66 Li2 N12 Si2 -","- C28 H66 Li2 N12 Si2 -","1","0.5","","Sicking, Constantin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silylation products of cyclic tri-aminal carbanions and their lithiation.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","104","111","10.1039/c1dt10943j","","","0.71073","MoKα","","0.1894","0.0658","","","0.1196","0.1512","","","","","","0.888","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017528","21.1789","0.0013","12.8654","0.0009","23.3516","0.0016","90","","114.808","0.002","90","","5775.6","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 Cu2 N20 O24 -","- C48 H56 Cu2 N20 O24 -","- C192 H224 Cu8 N80 O96 -","4","0.5","","Wu, Jing-Yun; Zhong, Ming-Shiou; Chiang, Ming-Hsi; Tsai, Meng-Rong; Lai, Long-Li","Synthesis, characterization and structural transformation of a discrete tetragonal metalloprism.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","156","164","10.1039/c1dt10949a","","","0.71073","MoKα","","0.0803","0.0423","","","0.0826","0.0953","","","","","","1.036","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017529","16.445","0.007","8.734","0.004","20.526","0.008","90","","90","","90","","2948","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cu N10 O6 S2 -","- C26 H28 Cu N10 O6 S2 -","- C104 H112 Cu4 N40 O24 S8 -","4","0.5","","Wu, Jing-Yun; Zhong, Ming-Shiou; Chiang, Ming-Hsi; Tsai, Meng-Rong; Lai, Long-Li","Synthesis, characterization and structural transformation of a discrete tetragonal metalloprism.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","156","164","10.1039/c1dt10949a","","","0.71073","MoKα","","0.0771","0.042","","","0.0959","0.1096","","","","","","1.037","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017530","8.1442","0.0005","18.2183","0.0011","9.8054","0.0006","90","","97.714","0.002","90","","1441.7","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cu N9 -","- C12 H13 Cu N9 -","- C48 H52 Cu4 N36 -","4","1","","Wu, Jing-Yun; Zhong, Ming-Shiou; Chiang, Ming-Hsi; Tsai, Meng-Rong; Lai, Long-Li","Synthesis, characterization and structural transformation of a discrete tetragonal metalloprism.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","156","164","10.1039/c1dt10949a","","","0.71073","MoKα","","0.0383","0.0279","","","0.0605","0.0646","","","","","","1.027","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017531","20.923","0.004","5.963","0.004","20.425","0.003","90","","123.701","0.006","90","","2120","1.5","293","","293","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C35 H25 N O23 V4 -","- C35 H25 N O23 V4 -","- C70 H50 N2 O46 V8 -","2","0.5","","Djerdj, Igor; Škapin, Srečo D; Ceh, Miran; Jagličić, Zvonko; Pajić, Damir; Kozlevčar, Bojan; Orel, Bojan; Orel, Zorica Crnjak","Interplay between the structural and magnetic probes in the elucidation of the structure of a novel 2D layered [V4O4(OH)2(O2CC6H4CO2)4]·DMF.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","581","589","10.1039/c1dt10985e","powder diffraction","","0.70177","Synchrotron","","","","","","","","","5.5205","","","","","","","","has coordinates","193021","2020-10-21","18:00:00",""
"7017532","24.571","0.005","24.571","0.005","10.92","0.005","90","0.005","90","0.005","120","0.005","5710","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H20 N2 Ni O2 S2 -","- C9 H20 N2 Ni O2 S2 -","- C162 H360 N36 Ni18 O36 S36 -","18","1","","Hosler, Erik R.; Herbst, Robert W.; Maroney, Michael J.; Chohan, Balwant S.","Exhaustive oxidation of a nickel dithiolate complex: some mechanistic insights en route to sulfate formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","804","816","10.1039/c1dt11032b","","","0.71069","MoKα","","0.0468","0.0293","","","0.0693","0.0798","","","","","","0.808","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017533","10.453","0.003","14.741","0.003","13.011","0.004","90","","105.28","0.02","90","","1934","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H29 N3 Ni O8 S2 -","- C12 H27 N3 Ni O8 S2 -","- C48 H108 N12 Ni4 O32 S8 -","4","1","","Hosler, Erik R.; Herbst, Robert W.; Maroney, Michael J.; Chohan, Balwant S.","Exhaustive oxidation of a nickel dithiolate complex: some mechanistic insights en route to sulfate formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","804","816","10.1039/c1dt11032b","","","0.71073","MoKα","","0.0955","0.0482","","0.1464","0.1191","","","","1.115","1.189","1.189","","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017534","8.715","0.0003","9.285","0.0003","7.789","0.0004","90","","113.517","0.002","90","","577.93","0.04","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H18 N2 Ni S2 -","- C8 H18 N2 Ni S2 -","- C16 H36 N4 Ni2 S4 -","2","1","","Hosler, Erik R.; Herbst, Robert W.; Maroney, Michael J.; Chohan, Balwant S.","Exhaustive oxidation of a nickel dithiolate complex: some mechanistic insights en route to sulfate formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","804","816","10.1039/c1dt11032b","","","0.71073","MoKα","","0.0299","0.0269","","0.0672","0.0658","","","","1.446","1.463","1.463","","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017535","9.4058","0.0005","12.5485","0.0007","13.1386","0.0007","70.946","0.001","73.128","0.001","79.988","0.001","1397.3","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H25 Cl N3 O4 P Pt -","- C32 H25 Cl N3 O4 P Pt -","- C64 H50 Cl2 N6 O8 P2 Pt2 -","2","1","","Ho, Yu-Man; Koo, Chi-Kin; Wong, Ka-Leung; Kong, Hoi-Kuan; Chan, Chris Tsz-Leung; Kwok, Wai-Ming; Chow, Cheuk-Fai; Lam, Michael Hon-Wah; Wong, Wai-Yeung","The synthesis and photophysical studies of cyclometalated Pt(ii) complexes with C,N,N-ligands containing imidazolyl donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1792","1800","10.1039/c1dt11037c","","","0.71073","MoKα","","0.0212","0.0205","","","0.0531","0.0535","","","","","","1.021","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7017536","9.772","0.0006","12.5346","0.0007","11.1227","0.0007","90","","99.441","0.001","90","","1343.94","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N3 O Pt -","- C14 H10 Cl N3 O Pt -","- C56 H40 Cl4 N12 O4 Pt4 -","4","1","","Ho, Yu-Man; Koo, Chi-Kin; Wong, Ka-Leung; Kong, Hoi-Kuan; Chan, Chris Tsz-Leung; Kwok, Wai-Ming; Chow, Cheuk-Fai; Lam, Michael Hon-Wah; Wong, Wai-Yeung","The synthesis and photophysical studies of cyclometalated Pt(ii) complexes with C,N,N-ligands containing imidazolyl donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1792","1800","10.1039/c1dt11037c","","","0.71073","MoKα","","0.03","0.0277","","","0.0732","0.0752","","","","","","1.058","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7017537","9.1983","0.0004","9.5114","0.0004","16.4668","0.0007","91.566","0.001","92.524","0.001","92.947","0.001","1436.73","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H25 Cl N3 O4 P Pt -","- C32 H25 Cl N3 O4 P Pt -","- C64 H50 Cl2 N6 O8 P2 Pt2 -","2","1","","Ho, Yu-Man; Koo, Chi-Kin; Wong, Ka-Leung; Kong, Hoi-Kuan; Chan, Chris Tsz-Leung; Kwok, Wai-Ming; Chow, Cheuk-Fai; Lam, Michael Hon-Wah; Wong, Wai-Yeung","The synthesis and photophysical studies of cyclometalated Pt(ii) complexes with C,N,N-ligands containing imidazolyl donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1792","1800","10.1039/c1dt11037c","","","0.71073","MoKα","","0.0299","0.0274","","","0.0738","0.0753","","","","","","1.005","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017538","10.125","0.0012","42.021","0.005","10.0152","0.001","90","","101.937","0.011","90","","4168.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H16 Cl N3 -","- C77.994 H15.995 Cl0.999 N3 -","- C311.976 H63.98 Cl3.996 N12 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kornev, Alexey B.; Faraonov, Maxim A.; Troshin, Pavel A.; Lyubovskaya, Rimma N.","Molecular and ionic complexes of pyrrolidinofullerene bearing chelating 3-pyridyl units.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","791","798","10.1039/c1dt11040c","","","0.71073","MoKα","","0.1366","0.0711","","","0.1722","0.2225","","","","","","1.018","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017539","10.0579","0.001","41.578","0.005","9.9818","0.0009","90","","102.202","0.009","90","","4080","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H16 Cl N3 -","- C78 H16 Cl N3 -","- C312 H64 Cl4 N12 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kornev, Alexey B.; Faraonov, Maxim A.; Troshin, Pavel A.; Lyubovskaya, Rimma N.","Molecular and ionic complexes of pyrrolidinofullerene bearing chelating 3-pyridyl units.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","791","798","10.1039/c1dt11040c","","","0.71073","MoKα","","0.1309","0.0768","","","0.1345","0.155","","","","","","1.064","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017540","28.6483","0.0015","26.2811","0.0016","19.8784","0.0012","90","","101.854","0.005","90","","14647.4","1.5","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C178 H79 Cl6 Mn2 N11 -","- C178.006 H79.004 Cl6.002 Mn2 N11 -","- C712.024 H316.016 Cl24.008 Mn8 N44 -","4","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kornev, Alexey B.; Faraonov, Maxim A.; Troshin, Pavel A.; Lyubovskaya, Rimma N.","Molecular and ionic complexes of pyrrolidinofullerene bearing chelating 3-pyridyl units.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","791","798","10.1039/c1dt11040c","","","0.7107","MoKα","","0.2105","0.1214","","","0.3267","0.3658","","","","","","1.081","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017541","8.3295","0.0002","19.8043","0.0004","16.2416","0.0003","90","","97.198","0.002","90","","2658.1","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cu2 F9 N4 O8 -","- C24 H15 Cu2 F9 N4 O8 -","- C96 H60 Cu8 F36 N16 O32 -","4","1","","Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shei-Ming; Liu, Shiuh-Tzung","Efficient oxidative coupling of 2,6-disubstituted phenol catalyzed by a dicopper(II) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1158","1164","10.1039/c1dt11065a","","","0.71073","MoKα","","0.0425","0.0364","","","0.1309","0.1391","","","","","","1.161","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017542","29.26","0.004","11.863","0.001","18.725","0.002","90","","90","","90","","6499.7","1.3","180","","180","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C38 H52 F21 Na O24 Y2 -","- C38 H52 F21 Na O24 Y2 -","- C152 H208 F84 Na4 O96 Y8 -","4","0.5","","Mishra, Shashank; Ledoux, Gilles; Jeanneau, Erwann; Daniele, Stéphane; Joubert, Marie-France","Novel heterometal-organic complexes as first single source precursors for up-converting NaY(Ln)F(4) (Ln = Yb, Er, Tm) nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1490","1502","10.1039/c1dt11070e","","","0.71069","MoKα","","0.2072","0.0823","","0.1857","0.0955","0.1857","","","","","","1.2329","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017543","17.8642","0.0003","19.6674","0.0004","21.213","0.0004","90","","90","","90","","7453","0.2","150","","150","","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C44 H54 F30 Na4 O31 Y2 -","- C44 H54 F30 Na4 O31 Y2 -","- C176 H216 F120 Na16 O124 Y8 -","4","1","","Mishra, Shashank; Ledoux, Gilles; Jeanneau, Erwann; Daniele, Stéphane; Joubert, Marie-France","Novel heterometal-organic complexes as first single source precursors for up-converting NaY(Ln)F(4) (Ln = Yb, Er, Tm) nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1490","1502","10.1039/c1dt11070e","","","0.71069","MoKα","","0.1139","0.0666","","0.1802","0.1535","0.1802","","","","","","0.9499","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017544","17.614","0.003","9.3063","0.0017","20.213","0.004","90","","90","","90","","3313.3","1.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Cl N3 O3 P -","- C14 H21 Cl N3 O3 P -","- C112 H168 Cl8 N24 O24 P8 -","8","1","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0922","0.0496","","","0.1076","0.1219","","","","","","0.892","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017545","17.636","0.003","9.454","0.0015","20.571","0.003","90","","90","","90","","3429.8","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Br N3 O3 P -","- C14 H21 Br N3 O3 P -","- C112 H168 Br8 N24 O24 P8 -","8","1","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0937","0.0332","","","0.0488","0.0534","","","","","","0.977","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017546","5.387","0.002","10.99","0.004","13.749","0.005","87.02","0.03","81.81","0.03","83.58","0.03","800.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 F N3 O3 P -","- C14 H21 F N3 O3 P -","- C28 H42 F2 N6 O6 P2 -","2","1","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0491","0.0407","","","0.1124","0.1192","","","","","","1.03","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017547","14.3399","0.0007","13.0234","0.0007","23.831","0.0012","90","","104.727","0.005","90","","4304.3","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 Br2 Cl3 La N6 O8 P2 -","- C30 H50 Br2 Cl3 La N6 O8 P2 -","- C120 H200 Br8 Cl12 La4 N24 O32 P8 -","4","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0327","0.0274","","","0.083","0.0868","","","","","","1.006","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017548","14.383","0.0006","39.8715","0.0016","12.9627","0.0006","90","","90","","90","","7433.7","0.6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28 H48 Ce Cl3 N6 O8 P2 -","- C28 H48 Ce Cl3 N6 O8 P2 -","- C224 H384 Ce8 Cl24 N48 O64 P16 -","8","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0234","0.021","","","0.042","0.0428","","","","","","0.948","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017549","14.2295","0.001","13.2351","0.001","24.1652","0.0018","90","","101.614","0.001","90","","4457.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cl5 La N8 O8 P2 -","- C32 H52 Cl5 La N8 O8 P2 -","- C128 H208 Cl20 La4 N32 O32 P8 -","4","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0748","0.0727","","","0.1707","0.1718","","","","","","1.003","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017550","14.3165","0.0004","13.0127","0.0004","23.8088","0.0007","90","","104.555","0.001","90","","4293.1","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H51.6 Ce Cl5 N6 O8.8 P2 -","- C30 H51.6 Ce Cl5 N6 O8.8 P2 -","- C120 H206.4 Ce4 Cl20 N24 O35.2 P8 -","4","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0308","0.0277","","","0.0852","0.0876","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017551","14.444","0.003","40.9","0.008","12.96","0.002","90","","90","","90","","7656","2","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C28 H46 Ce Cl3 F2 N6 O8 P2 -","- C28 H46 Ce Cl3 F2 N6 O8 P2 -","- C224 H368 Ce8 Cl24 F16 N48 O64 P16 -","8","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0476","0.0421","","","0.0941","0.0978","","","","","","1.009","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017552","14.3982","0.0005","39.95","0.0013","12.991","0.0004","90","","90","","90","","7472.5","0.4","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28 H48 Cl3 N6 Nd O8 P2 -","- C28 H48 Cl3 N6 Nd O8 P2 -","- C224 H384 Cl24 N48 Nd8 O64 P16 -","8","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0244","0.0213","","","0.0439","0.0447","","","","","","1.002","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017553","11.0808","0.001","16.9424","0.0015","25.884","0.002","90","","101.572","0.002","90","","4760.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H60 Cr O3 P -","- C59 H60 Cr O3 P -","- C236 H240 Cr4 O12 P4 -","4","1","","O'Reilly, Matthew E; Del Castillo, Trevor J.; Abboud, Khalil A.; Veige, Adam S.","The influence of reversible trianionic pincer OCO(3-)μ-oxo Cr(iv) dimer formation ([Cr(iv)](2)(μ-O)) and donor ligands in oxygen-atom-transfer (OAT).","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2237","2246","10.1039/c1dt11104c","","","0.71073","MoKα","","0.0674","0.036","","","0.076","0.0828","","","","","","0.911","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017554","8.1077","0.0005","9.3487","0.0006","11.2246","0.0007","92.472","0.004","92.302","0.003","110.049","0.003","797.11","0.09","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H13 B Cu F4 N4 O5 -","- C11 H13 B Cu F4 N4 O5 -","- C22 H26 B2 Cu2 F8 N8 O10 -","2","1","","Cowan, Matthew G.; Brooker, Sally","Nine non-symmetric pyrazine-pyridine imide-based complexes: reversible redox and isolation of [M(II/III)(pypzca)(2)](0/+) when M = Co, Fe.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1465","1474","10.1039/c1dt11128k","","","0.71073","MoKα","","0.0481","0.0382","","","0.0782","0.0833","","","","","","1.065","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017555","22.953","0.007","8.54","0.003","23.055","0.007","90","","103","0.009","90","","4403","2","93","2","88","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 B Co F4 N8 O4 -","- C22 H14 B Co F4 N8 O4 -","- C176 H112 B8 Co8 F32 N64 O32 -","8","2","","Cowan, Matthew G.; Brooker, Sally","Nine non-symmetric pyrazine-pyridine imide-based complexes: reversible redox and isolation of [M(II/III)(pypzca)(2)](0/+) when M = Co, Fe.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1465","1474","10.1039/c1dt11128k","","","0.71073","MoKα","","0.1973","0.1346","","","0.3395","0.373","","","","","","1.069","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017556","7.9477","0.0008","18.03","0.002","14.8985","0.0018","90","","99.695","0.006","90","","2104.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 Mn N5 O2 -","- C17 H23 Cl2 Mn N5 O2 -","- C68 H92 Cl8 Mn4 N20 O8 -","4","1","","Cowan, Matthew G.; Brooker, Sally","Nine non-symmetric pyrazine-pyridine imide-based complexes: reversible redox and isolation of [M(II/III)(pypzca)(2)](0/+) when M = Co, Fe.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1465","1474","10.1039/c1dt11128k","","","0.71073","MoKα","","0.1156","0.0972","","","0.1974","0.204","","","","","","1.278","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017557","9.3128","0.0004","8.5744","0.0003","28.3561","0.0013","90","","97.046","0.002","90","","2247.18","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15.5 Cu N8 O4.75 -","- C22 H15.5 Cu N8 O4.75 -","- C88 H62 Cu4 N32 O19 -","4","1","","Cowan, Matthew G.; Brooker, Sally","Nine non-symmetric pyrazine-pyridine imide-based complexes: reversible redox and isolation of [M(II/III)(pypzca)(2)](0/+) when M = Co, Fe.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1465","1474","10.1039/c1dt11128k","","","0.71073","MoKα","","0.0588","0.0463","","","0.1397","0.1477","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017558","9.8075","0.0016","13.263","0.002","15.335","0.003","79.54","0.002","86.223","0.002","82.549","0.002","1943.2","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(Ru(acac)2(dabe)Ru(acac)2)","","","- C40 H44 O12 Ru2 -","- C40 H44 O12 Ru2 -","- C80 H88 O24 Ru4 -","2","1","","Sato, Hisako; Takase, Ryoichi; Mori, Yukie; Yamagishi, Akihiko","Can a meso-type dinuclear complex be chiral?: dinuclear β-diketonato Ru(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","747","751","10.1039/c1dt11133g","","","0.71073","MoKα","","0.0709","0.0414","","","0.0776","0.096","","","","","","1.029","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017559","6.924","0.004","13.689","0.008","13.933","0.007","114.208","0.005","95.815","0.004","104.4","0.004","1135.3","1.1","173.1","","173.1","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Mg N4 O13 Pt -","- C14 H6 Mg N4 O13 Pt -","- C28 H12 Mg2 N8 O26 Pt2 -","2","1","","Kobayashi, Atsushi; Hara, Hirofumi; Yonemura, Tsubasa; Chang, Ho-Chol; Kato, Masako","Systematic structural control of multichromic platinum(ii)-diimine complexes ranging from ionic solid to coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1878","1888","10.1039/c1dt11155h","","","0.7107","MoKα","","","0.0518","","","","0.1549","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017560","7.1293","0.0019","17.848","0.004","16.168","0.004","90","","96.781","0.0014","90","","2042.9","0.9","150.1","","150.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ca N4 O10 Pt -","- C14 H6 Ca N4 O9 Pt -","- C56 H24 Ca4 N16 O36 Pt4 -","4","1","","Kobayashi, Atsushi; Hara, Hirofumi; Yonemura, Tsubasa; Chang, Ho-Chol; Kato, Masako","Systematic structural control of multichromic platinum(ii)-diimine complexes ranging from ionic solid to coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1878","1888","10.1039/c1dt11155h","","","0.7107","MoKα","","","0.0335","","","","0.0826","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017561","7.3068","0.0019","17.634","0.005","15.226","0.004","90","","94.4477","0.0011","90","","1955.9","0.9","150.1","","150.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Ba N4 O9 Pt -","- C14 H6 Ba N4 O9 Pt -","- C56 H24 Ba4 N16 O36 Pt4 -","4","1","","Kobayashi, Atsushi; Hara, Hirofumi; Yonemura, Tsubasa; Chang, Ho-Chol; Kato, Masako","Systematic structural control of multichromic platinum(ii)-diimine complexes ranging from ionic solid to coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1878","1888","10.1039/c1dt11155h","","","0.7107","MoKα","","","0.0393","","","","0.0839","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017562","7.072","0.002","10.385","0.004","12.842","0.004","100.695","0.006","91.181","0.006","94.614","0.006","923.2","0.5","150.1","","150.1","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 N4 O7 Pt Sr -","- C14 H6 N4 O7 Pt Sr -","- C28 H12 N8 O14 Pt2 Sr2 -","2","1","","Kobayashi, Atsushi; Hara, Hirofumi; Yonemura, Tsubasa; Chang, Ho-Chol; Kato, Masako","Systematic structural control of multichromic platinum(ii)-diimine complexes ranging from ionic solid to coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1878","1888","10.1039/c1dt11155h","","","0.7107","MoKα","","","0.0693","","","","0.1907","","","","","","0.965","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017563","13.287","0.004","18.455","0.005","16.997","0.005","90","","103.84","0.004","90","","4047","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H52 Cu4 N8 O31 -","- C80 H52 Cu4 N8 O31 -","- C160 H104 Cu8 N16 O62 -","2","0.5","","Gong, Yun; Qin, Jianbo; Wu, Tao; Li, Jinghua; Yang, Li; Cao, Rong","Synthesis, structural characterization and anion-sensing studies of metal(ii) complexes based on 3,3',4,4'-oxydiphthalate and N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1961","1970","10.1039/c1dt11179e","","","0.71073","MoKα","","0.0753","0.0605","","","0.1604","0.1716","","","","","","1.098","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017564","16.348","0.004","22.823","0.005","14.011","0.003","90","","93.558","0.003","90","","5218","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 Mn2 N2 O11 -","- C28 H14 Mn2 N2 O11 -","- C224 H112 Mn16 N16 O88 -","8","1","","Gong, Yun; Qin, Jianbo; Wu, Tao; Li, Jinghua; Yang, Li; Cao, Rong","Synthesis, structural characterization and anion-sensing studies of metal(ii) complexes based on 3,3',4,4'-oxydiphthalate and N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1961","1970","10.1039/c1dt11179e","","","0.71073","MoKα","","0.0626","0.0546","","","0.1612","0.1744","","","","","","1.106","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017565","24.319","0.007","11.905","0.003","8.666","0.003","90","","97.75","0.006","90","","2486","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Co N2 O10 -","- C28 H16 Co N2 O10 -","- C112 H64 Co4 N8 O40 -","4","0.5","","Gong, Yun; Qin, Jianbo; Wu, Tao; Li, Jinghua; Yang, Li; Cao, Rong","Synthesis, structural characterization and anion-sensing studies of metal(ii) complexes based on 3,3',4,4'-oxydiphthalate and N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1961","1970","10.1039/c1dt11179e","","","0.71073","MoKα","","0.0419","0.0384","","","0.0978","0.1003","","","","","","1.068","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017566","11.203","0.003","11.403","0.003","12.953","0.004","91.304","0.002","101.586","0.004","91.485","0.005","1619.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H44 Cu2 N8 O19 -","- C80 H44 Cu2 N8 O19 -","- C80 H44 Cu2 N8 O19 -","1","0.5","","Gong, Yun; Qin, Jianbo; Wu, Tao; Li, Jinghua; Yang, Li; Cao, Rong","Synthesis, structural characterization and anion-sensing studies of metal(ii) complexes based on 3,3',4,4'-oxydiphthalate and N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1961","1970","10.1039/c1dt11179e","","","0.71073","MoKα","","0.0532","0.0442","","","0.1146","0.1259","","","","","","1.066","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017567","9.7725","0.0009","11.5217","0.001","12.8609","0.0013","99.2","0.004","99.788","0.005","91.11","0.005","1407","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H68 N4 O19 Zn2 -","- C58 H68 N4 O19 Zn2 -","- C58 H68 N4 O19 Zn2 -","1","0.5","","Gong, Yun; Qin, Jianbo; Wu, Tao; Li, Jinghua; Yang, Li; Cao, Rong","Synthesis, structural characterization and anion-sensing studies of metal(ii) complexes based on 3,3',4,4'-oxydiphthalate and N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1961","1970","10.1039/c1dt11179e","","","0.71073","MoKα","","0.0623","0.0483","","","0.124","0.1337","","","","","","1.059","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017568","10.7745","0.0005","14.8184","0.0008","23.127","0.001","90","","102.967","0.005","90","","3598.3","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 F6 N4 O7 P Zn2 -","- C31 H41 F6 N4 O7 P Zn2 -","- C124 H164 F24 N16 O28 P4 Zn8 -","4","1","","Daumann, Lena J.; Dalle, Kristian E.; Schenk, Gerhard; McGeary, Ross P.; Bernhardt, Paul V.; Ollis, David L.; Gahan, Lawrence R.","The role of Zn-OR and Zn-OH nucleophiles and the influence of para-substituents in the reactions of binuclear phosphatase mimetics.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1695","1708","10.1039/c1dt11187f","","x-ray","0.71073","MoKα","","0.0913","0.0399","","","0.0735","0.0791","","","","","","0.79","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017569","10.4535","0.0007","13.1726","0.0008","16.4175","0.0008","83.319","0.005","85.597","0.005","84.177","0.005","2228.9","0.2","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41 H45 F6 N4 O7 P Zn2 -","- C41 H45 F6 N4 O7 P Zn2 -","- C82 H90 F12 N8 O14 P2 Zn4 -","2","1","","Daumann, Lena J.; Dalle, Kristian E.; Schenk, Gerhard; McGeary, Ross P.; Bernhardt, Paul V.; Ollis, David L.; Gahan, Lawrence R.","The role of Zn-OR and Zn-OH nucleophiles and the influence of para-substituents in the reactions of binuclear phosphatase mimetics.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1695","1708","10.1039/c1dt11187f","","x-ray","0.71073","MoKα","","0.1673","0.0483","","","0.0713","0.0855","","","","","","0.704","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017570","8.926","0.001","31.571","0.002","13.3124","0.0009","90","","103.264","0.009","90","","3651.4","0.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 F6 N5 O9 P Zn2 -","- C30 H38 F6 N5 O9 P Zn2 -","- C120 H152 F24 N20 O36 P4 Zn8 -","4","1","","Daumann, Lena J.; Dalle, Kristian E.; Schenk, Gerhard; McGeary, Ross P.; Bernhardt, Paul V.; Ollis, David L.; Gahan, Lawrence R.","The role of Zn-OR and Zn-OH nucleophiles and the influence of para-substituents in the reactions of binuclear phosphatase mimetics.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1695","1708","10.1039/c1dt11187f","","x-ray","1.5418","CuKα","","0.0787","0.0476","","","0.1149","0.1257","","","","","","0.93","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017571","26.602","0.002","14.3664","0.0007","23.007","0.001","90","","107.464","0.006","90","","8387.4","0.9","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H80 F12 N10 O20 P4 Zn4 -","- C66 H80 F12 N10 O20 P4 Zn4 -","- C264 H320 F48 N40 O80 P16 Zn16 -","4","1","","Daumann, Lena J.; Dalle, Kristian E.; Schenk, Gerhard; McGeary, Ross P.; Bernhardt, Paul V.; Ollis, David L.; Gahan, Lawrence R.","The role of Zn-OR and Zn-OH nucleophiles and the influence of para-substituents in the reactions of binuclear phosphatase mimetics.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1695","1708","10.1039/c1dt11187f","","x-ray","1.5418","CuKα","","0.1089","0.05","","","0.1248","0.1415","","","","","","0.816","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017572","13.3002","0.0006","15.8922","0.0006","19.6397","0.0007","94.791","0.003","109.511","0.004","112.586","0.004","3504.1","0.3","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C52 H68 Br2 F14 N8 O14 P4 Zn4 -","- C52 H68 Br2 F14 N8 O14 P4 Zn4 -","- C104 H136 Br4 F28 N16 O28 P8 Zn8 -","2","1","","Daumann, Lena J.; Dalle, Kristian E.; Schenk, Gerhard; McGeary, Ross P.; Bernhardt, Paul V.; Ollis, David L.; Gahan, Lawrence R.","The role of Zn-OR and Zn-OH nucleophiles and the influence of para-substituents in the reactions of binuclear phosphatase mimetics.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1695","1708","10.1039/c1dt11187f","","x-ray","1.54184","CuKα","","0.0778","0.053","","","0.1522","0.1675","","","","","","1.037","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017573","8.9022","0.0005","13.1115","0.0007","16.6071","0.0009","99.071","0.005","91.761","0.004","102.97","0.005","1860.92","0.18","293","2","293","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C30 H38 Br F6 N4 O7 P Zn2 -","- C30 H38 Br F6 N4 O7 P Zn2 -","- C60 H76 Br2 F12 N8 O14 P2 Zn4 -","2","1","","Daumann, Lena J.; Dalle, Kristian E.; Schenk, Gerhard; McGeary, Ross P.; Bernhardt, Paul V.; Ollis, David L.; Gahan, Lawrence R.","The role of Zn-OR and Zn-OH nucleophiles and the influence of para-substituents in the reactions of binuclear phosphatase mimetics.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1695","1708","10.1039/c1dt11187f","","x-ray","1.5418","CuKα","","0.0924","0.07","","","0.1872","0.2067","","","","","","1.042","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017574","8.6308","0.0006","12.3692","0.0006","15.1831","0.001","90","","114.683","0.005","90","","1472.79","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N2 O Pd -","- C14 H14 Cl2 N2 O Pd -","- C56 H56 Cl8 N8 O4 Pd4 -","4","1","","Ardizzoia, G. Attilio; Brenna, Stefano; Therrien, Bruno","Ni(II) and Pd(II) pyridinyloxazolidine-compounds: synthesis, X-ray characterisation and catalytic activities in the aza-Michael reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","783","790","10.1039/c1dt11191d","","","0.71073","MoKα","","0.0496","0.0424","","","0.0985","0.1005","","","","","","1.312","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017575","23.437","0.005","6.628","0.001","17.741","0.004","90","","98.67","0.03","90","","2724.4","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cl2 N4 Ni O2 -","- C28 H28 Cl2 N4 Ni O2 -","- C112 H112 Cl8 N16 Ni4 O8 -","4","0.5","","Ardizzoia, G. Attilio; Brenna, Stefano; Therrien, Bruno","Ni(II) and Pd(II) pyridinyloxazolidine-compounds: synthesis, X-ray characterisation and catalytic activities in the aza-Michael reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","783","790","10.1039/c1dt11191d","","","0.71073","MoKα","","0.1891","0.089","","","0.1166","0.1412","","","","","","0.988","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017576","10.8146","0.0014","12.668","0.0015","19.986","0.002","90","","93.54","0.004","90","","2732.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H13 B F15 O2 P -","- C28 H13 B F15 O2 P -","- C112 H52 B4 F60 O8 P4 -","4","1","","Caputo, Christopher B.; Geier, Stephen J.; Ouyang, Eva Y.; Kreitner, Christoph; Stephan, Douglas W.","Chloro- and phenoxy-phosphines in frustrated Lewis pair additions to alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","237","242","10.1039/c1dt11196e","","","0.71073","MoKα","","0.1026","0.0495","","","0.0996","0.1196","","","","","","0.996","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017577","15.6025","0.0006","11.5308","0.0004","21.2356","0.0007","90","","103.904","0.002","90","","3708.5","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H21 B F15 O2 P -","- C42 H21 B F15 O2 P -","- C168 H84 B4 F60 O8 P4 -","4","2","","Caputo, Christopher B.; Geier, Stephen J.; Ouyang, Eva Y.; Kreitner, Christoph; Stephan, Douglas W.","Chloro- and phenoxy-phosphines in frustrated Lewis pair additions to alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","237","242","10.1039/c1dt11196e","","","0.71073","MoKα","","0.0752","0.0437","","","0.0816","0.0949","","","","","","0.988","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017578","13.4163","0.0004","18.3323","0.0005","14.009","0.0005","90","","118.077","0.001","90","","3040.05","0.17","493","2","493","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H15 B Cl2 F15 P -","- C30 H15 B Cl2 F15 P -","- C120 H60 B4 Cl8 F60 P4 -","4","1","","Caputo, Christopher B.; Geier, Stephen J.; Ouyang, Eva Y.; Kreitner, Christoph; Stephan, Douglas W.","Chloro- and phenoxy-phosphines in frustrated Lewis pair additions to alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","237","242","10.1039/c1dt11196e","","","0.71073","MoKα","","0.0789","0.0394","","","0.0772","0.0915","","","","","","1.001","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017579","15.2876","0.0006","17.8123","0.0007","26.9165","0.0012","90","","104.511","0.002","90","","7095.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H69 B F15 O3 P -","- C68 H69 B F15 O3 P -","- C272 H276 B4 F60 O12 P4 -","4","1","","Caputo, Christopher B.; Geier, Stephen J.; Ouyang, Eva Y.; Kreitner, Christoph; Stephan, Douglas W.","Chloro- and phenoxy-phosphines in frustrated Lewis pair additions to alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","237","242","10.1039/c1dt11196e","","","0.71073","MoKα","","0.1355","0.0708","","","0.1822","0.203","","","","","","1.051","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017580","10.345","0.002","14.917","0.003","14.442","0.003","90","","104.27","0.03","90","","2159.9","0.8","173","2","173","2","","","","","","","toluene","5","P 1 21 1","P 2yb","4","((GaCl2(IMes))2)","","","- C42 H48 Cl4 Ga2 N4 -","- C42 H48 Cl4 Ga2 N4 -","- C84 H96 Cl8 Ga4 N8 -","2","1","","Ball, Graham E.; Cole, Marcus L.; McKay, Alasdair I.","Low valent and hydride complexes of NHC coordinated gallium and indium.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","946","952","10.1039/c1dt11202c","","x-ray","0.71073","MoKα","","0.2059","0.0906","","","0.1791","0.2289","","","","","","0.983","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017581","16.4429","0.0005","16.6293","0.0005","17.4316","0.0006","90","","90","","90","","4766.4","0.3","150","2","150","2","","","","","","","toluene","5","P c a 21","P 2c -2ac","29","(GaBr3(IMes))","","","- C21 H23 Br3 Ga N2 -","- C21 H24 Br3 Ga N2 -","- C168 H192 Br24 Ga8 N16 -","8","2","","Ball, Graham E.; Cole, Marcus L.; McKay, Alasdair I.","Low valent and hydride complexes of NHC coordinated gallium and indium.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","946","952","10.1039/c1dt11202c","","x-ray","0.71073","MoKα","","0.1993","0.0595","","","0.0909","0.1201","","","","","","0.967","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017582","15.5879","0.0008","13.1132","0.0005","30.0461","0.0016","90","","91.148","0.004","90","","6140.4","0.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H82 Cl4 N4 O Ru2 -","- C62 H82 Cl4 N4 O Ru2 -","- C248 H328 Cl16 N16 O4 Ru8 -","4","1","","Gürbüz, Nevin; Ozcan, Emine Özge; Ozdemir, Ismail; Cetinkaya, Bekir; Sahin, Onur; Büyükgüngör, Orhan","Preparation of a series of Ru(ii) complexes with N-heterocyclic carbene ligands for the catalytic transfer hydrogenation of aromatic ketones.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2330","2339","10.1039/c1dt11203a","","","0.71073","MoKα","","0.2789","0.06","","","0.0709","0.1226","","","","","","0.658","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017583","14.807","0.0012","12.1079","0.001","17.1135","0.0014","90","","109.967","0.001","90","","2883.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H50 Cu5 N8 O22 -","- C54 H50 Cu5 N8 O22 -","- C108 H100 Cu10 N16 O44 -","2","0.5","","Ma, Lu-Fang; Zhao, Jun-Wei; Han, Min-Le; Wang, Li-Ya; Du, Miao","Two novel 3-D coordination polymers with 5-methoxyisophthalate and flexible N-donor co-ligands showing pentanuclear or alternate mono/binuclear Cu(ii) units.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2078","2083","10.1039/c1dt11206f","","","0.71073","MoKα","","0.0356","0.0297","","","0.0733","0.0767","","","","","","1.037","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017584","8.111","0.0009","12.4063","0.0014","16.3568","0.0018","90.115","0.001","95.455","0.001","106.655","0.001","1569","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H52 Cu4 N12 O24 -","- C50 H52 Cu4 N12 O24 -","- C50 H52 Cu4 N12 O24 -","1","0.5","","Ma, Lu-Fang; Zhao, Jun-Wei; Han, Min-Le; Wang, Li-Ya; Du, Miao","Two novel 3-D coordination polymers with 5-methoxyisophthalate and flexible N-donor co-ligands showing pentanuclear or alternate mono/binuclear Cu(ii) units.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2078","2083","10.1039/c1dt11206f","","","0.71073","MoKα","","0.0513","0.0447","","","0.1324","0.1376","","","","","","1.086","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017585","9.6708","0.001","11.4133","0.0012","11.541","0.0012","77.802","0.002","78.026","0.003","72.353","0.002","1172.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Bi N3 O9 -","- C24 H18 Bi N3 O9 -","- C48 H36 Bi2 N6 O18 -","2","1","","Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.","Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1004","1012","10.1039/c1dt11207d","","","0.71073","MoKα","","0.0252","0.0217","","","0.0489","0.05","","","","","","1.021","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017586","9.9818","0.0012","13.8686","0.0016","13.9078","0.0016","73.185","0.002","70.121","0.002","70.084","0.002","1669.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Bi N6 O12 -","- C34 H27 Bi N6 O12 -","- C68 H54 Bi2 N12 O24 -","2","1","","Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.","Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1004","1012","10.1039/c1dt11207d","","","0.71073","MoKα","","0.0278","0.0247","","","0.0584","0.0597","","","","","","1.054","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017587","27.571","0.002","10.2872","0.0008","17.0803","0.0013","90","","109.015","0.001","90","","4580.1","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Bi N6 O7 -","- C21 H17 Bi N6 O7 -","- C168 H136 Bi8 N48 O56 -","8","1","","Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.","Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1004","1012","10.1039/c1dt11207d","","","0.71073","MoKα","","0.0582","0.0544","","","0.1314","0.1355","","","","","","1.051","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017588","10.12","0.002","13.74","0.003","16.63","0.003","90","","101","0.03","90","","2269.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Bi N2 O5 -","- C26 H19 Bi N2 O5 -","- C104 H76 Bi4 N8 O20 -","4","1","","Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.","Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1004","1012","10.1039/c1dt11207d","","","0.71073","MoKα","","0.0531","0.0359","","","0.0673","0.0739","","","","","","0.988","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017589","10.34","0.002","9.7251","0.0019","15.679","0.003","90","","101.02","0.03","90","","1547.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Bi O3 -","- C17 H13 Bi O3 -","- C68 H52 Bi4 O12 -","4","1","","Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.","Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1004","1012","10.1039/c1dt11207d","","","0.71073","MoKα","","0.0212","0.0191","","","0.0465","0.0471","","","","","","1.086","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017590","9.238","0.002","17.369","0.004","30.368","0.007","90","","90","","90","","4872.7","1.9","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H39 Bi3 O6 S3 -","- C51 H39 Bi3 O6 S3 -","- C204 H156 Bi12 O24 S12 -","4","1","","Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.","Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1004","1012","10.1039/c1dt11207d","","","0.71073","MoKα","","0.0408","0.0338","","","0.0803","0.0828","","","","","","1.051","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017591","8.6447","0.0008","9.6012","0.0009","10.6965","0.001","81.279","0.001","71.418","0.001","71.429","0.001","796.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Bi O4 S2 -","- C14 H9 Bi O4 S2.88 -","- C28 H18 Bi2 O8 S5.76 -","2","1","","Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.","Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1004","1012","10.1039/c1dt11207d","","","0.71073","MoKα","","0.0232","0.0221","","","0.0552","0.0556","","","","","","1.055","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017592","14.632","0.004","18.179","0.004","18.284","0.004","65.974","0.003","79.207","0.004","86.471","0.004","4362.9","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- Co2 H64 K10 Na O98 Si2 W18 -","- Co2 K10 Na O83.75 Si2 W18 -","- Co4 K20 Na2 O167.5 Si4 W36 -","2","1","","Zhu, Guibo; Geletii, Yurii V.; Kögerler, Paul; Schilder, Helmut; Song, Jie; Lense, Sheri; Zhao, Chongchao; Hardcastle, Kenneth I.; Musaev, Djamaladdin G.; Hill, Craig L.","Water oxidation catalyzed by a new tetracobalt-substituted polyoxometalate complex: [{Co(4)(μ-OH)(H(2)O)(3)}(Si(2)W(19)O(70))](11-).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2084","2090","10.1039/c1dt11211b","","","0.71073","MoKα","","0.0581","0.0449","","","0.1125","0.1204","","","","","","1.026","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017593","13.049","0.007","17.315","0.009","22.642","0.012","67.54","0.008","74.221","0.008","84.294","0.008","4550","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- Co4 H69 K10.2 Na0.8 O105 Si2 W19 -","- Co4 K10.2 Na0.8 O89.3 Si2 W19 -","- Co8 K20.4 Na1.6 O178.6 Si4 W38 -","2","1","","Zhu, Guibo; Geletii, Yurii V.; Kögerler, Paul; Schilder, Helmut; Song, Jie; Lense, Sheri; Zhao, Chongchao; Hardcastle, Kenneth I.; Musaev, Djamaladdin G.; Hill, Craig L.","Water oxidation catalyzed by a new tetracobalt-substituted polyoxometalate complex: [{Co(4)(μ-OH)(H(2)O)(3)}(Si(2)W(19)O(70))](11-).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2084","2090","10.1039/c1dt11211b","","","0.71073","MoKα","","0.0667","0.0554","","","0.191","0.205","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017594","8.729","0.003","11.682","0.004","15.591","0.005","98.598","0.004","90.922","0.002","110.883","0.004","1464.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 N2 O15 Pb S4 -","- C22 H20 N2 O13 Pb S4 -","- C44 H40 N4 O26 Pb2 S8 -","2","1","","Xiong, Kecai; Jiang, Feilong; Yang, Ming; Wu, Mingyan; Feng, Rui; Xu, Wentao; Hong, Maochun","2D sheet-like architectures constructed from main-group metal ions, 4,4'-bpno and 1,2-alternate p-sulfonatothiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","540","545","10.1039/c1dt11239b","","","0.71073","MoKα","","0.0603","0.0495","","","0.1066","0.1146","","","","","","1.047","","","","has coordinates","189182","2020-10-21","18:00:00",""
"7017595","9.3202","0.0002","11.3884","0.0002","15.0678","0.0005","77.526","0.012","83.585","0.013","69.775","0.01","1464.09","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Ba N2 O15 S4 -","- C22 H24 Ba N2 O15 S4 -","- C44 H48 Ba2 N4 O30 S8 -","2","1","","Xiong, Kecai; Jiang, Feilong; Yang, Ming; Wu, Mingyan; Feng, Rui; Xu, Wentao; Hong, Maochun","2D sheet-like architectures constructed from main-group metal ions, 4,4'-bpno and 1,2-alternate p-sulfonatothiacalix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","540","545","10.1039/c1dt11239b","","","0.71073","MoKα","","0.0574","0.0456","","","0.1055","0.1143","","","","","","1.049","","","","has coordinates","189182","2020-10-21","18:00:00",""
"7017596","9.6022","0.0004","12.0461","0.0005","21.2192","0.0008","89.733","0.001","80.605","0.001","73.446","0.001","2318.84","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H56 O9 Pt2 Ru2 Sn2 -","- C33 H56 O9 Pt2 Ru2 Sn2 -","- C66 H112 O18 Pt4 Ru4 Sn4 -","2","1","","Manzoli, Maela; Shetti, Vasudev N.; Blaine, Jonathan A. L.; Zhu, Lei; Isrow, Derek; Yempally, Veeranna; Captain, Burjor; Coluccia, Salvatore; Raja, Robert; Gianotti, Enrica","Ru(x)Pt(y)Sn(z) cluster-derived nanoparticle catalysts: spectroscopic investigation into the nature of active multinuclear single sites.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","982","989","10.1039/c1dt11243k","","","0.71073","MoKα","","0.0404","0.0269","","","0.0637","0.0734","","","","","","1.046","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017597","8.5534","0.0007","15.7761","0.0012","16.573","0.0013","90.417","0.006","101.725","0.006","104.461","0.006","2116.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H64 B20 Cl2 N2 Sn4 -","- C18 H64 B20 Cl2 N2 Sn4 -","- C36 H128 B40 Cl4 N4 Sn8 -","2","1","","Nickl, Claudia; Eichele, Klaus; Wesemann, Lars","1,2-Distanna-closo-dodecaborate‒a rare example of a 1,2-distannylene ligand in transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","243","250","10.1039/c1dt11247c","","","0.71073","MoKα","","0.041","0.0302","","","0.0525","0.0549","","","","","","1.057","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017598","15.5311","0.0012","20.8394","0.0015","15.9241","0.0013","90","","117.951","0.005","90","","4552.8","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H144 B30 Mo2 N8 O6 Sn6 -","- C52 H144 B30 Mo2 N8 O6 Sn6 -","- C104 H288 B60 Mo4 N16 O12 Sn12 -","2","1","","Nickl, Claudia; Eichele, Klaus; Wesemann, Lars","1,2-Distanna-closo-dodecaborate‒a rare example of a 1,2-distannylene ligand in transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","243","250","10.1039/c1dt11247c","","","0.71073","MoKα","","0.139","0.0813","","","0.1457","0.1711","","","","","","1.063","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7017599","12.6596","0.001","13.756","0.001","14.0684","0.0011","64.635","0.006","63.634","0.006","69.23","0.006","1942.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H130 B20 N6 P4 Pt2 Sn4 -","- C46 H128 B20 N6 P4 Pt2 Sn4 -","- C46 H128 B20 N6 P4 Pt2 Sn4 -","1","0.5","","Nickl, Claudia; Eichele, Klaus; Wesemann, Lars","1,2-Distanna-closo-dodecaborate‒a rare example of a 1,2-distannylene ligand in transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","243","250","10.1039/c1dt11247c","","","0.71073","MoKα","","0.0425","0.0324","","","0.0518","0.0538","","","","","","1.099","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017600","12.7985","0.0009","14.3043","0.001","15.5979","0.0011","69.425","0.005","89.337","0.006","67.783","0.005","2450.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H128 B20 N4 P4 Pt2 Sn4 -","- C92 H126 B20 N4 P4 Pt2 Sn4 -","- C92 H126 B20 N4 P4 Pt2 Sn4 -","1","0.5","","Nickl, Claudia; Eichele, Klaus; Wesemann, Lars","1,2-Distanna-closo-dodecaborate‒a rare example of a 1,2-distannylene ligand in transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","243","250","10.1039/c1dt11247c","","","0.71073","MoKα","","0.0337","0.0285","","","0.0652","0.0673","","","","","","1.043","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017601","12.8328","0.001","17.404","0.0012","21.9546","0.0017","70.017","0.006","75.399","0.006","75.306","0.006","4383.1","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H85 Au2 B10 N3 P6 Sn2 -","- C90 H85 Au2 B10 N3 P6 Sn2 -","- C180 H170 Au4 B20 N6 P12 Sn4 -","2","1","","Nickl, Claudia; Eichele, Klaus; Wesemann, Lars","1,2-Distanna-closo-dodecaborate‒a rare example of a 1,2-distannylene ligand in transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","243","250","10.1039/c1dt11247c","","","0.71073","MoKα","","0.0993","0.0629","","","0.0856","0.0939","","","","","","1.109","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017602","11.8126","0.0007","13.2594","0.0006","12.5685","0.0005","90","","96.625","0.004","90","","1955.43","0.17","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 B2 F8 Fe N2 P2 S2 -","- C40 H40 B2 F8 Fe N2 P2 S2 -","- C80 H80 B4 F16 Fe2 N4 P4 S4 -","2","0.5","","Tate, Christopher W.; deMello, Andrew; Gee, Antony D.; Kealey, Steven; Vilar, Ramon; White, Andrew J. P.; Long, Nicholas J.","Hemilabile and reversible carbon monoxide binding properties of iron(II), cobalt(II) and nickel(II) complexes containing a new tridentate P-S-N ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","83","89","10.1039/c1dt11248a","","","0.71073","MoKα","","0.0794","0.05","","","0.1259","0.1458","","","","","","0.996","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017603","11.3729","0.0004","12.5243","0.0004","17.5572","0.0006","87.578","0.003","79.92","0.003","68.689","0.003","2293.22","0.14","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H46 B2 Co F8 N4 P2 S2 -","- C44 H46 B1.998 Co F7.992 N4 P2 S2 -","- C88 H92 B3.996 Co2 F15.984 N8 P4 S4 -","2","1","","Tate, Christopher W.; deMello, Andrew; Gee, Antony D.; Kealey, Steven; Vilar, Ramon; White, Andrew J. P.; Long, Nicholas J.","Hemilabile and reversible carbon monoxide binding properties of iron(II), cobalt(II) and nickel(II) complexes containing a new tridentate P-S-N ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","83","89","10.1039/c1dt11248a","","","1.54184","CuKα","","0.0459","0.0427","","","0.1099","0.112","","","","","","1.036","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017604","12.00508","0.00009","13.45669","0.00011","12.62737","0.00009","90","","94.8331","0.0007","90","","2032.68","0.03","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl2 N2 Ni O8 P2 S2 -","- C40 H40 Cl2 N2 Ni O8 P2 S2 -","- C80 H80 Cl4 N4 Ni2 O16 P4 S4 -","2","0.5","","Tate, Christopher W.; deMello, Andrew; Gee, Antony D.; Kealey, Steven; Vilar, Ramon; White, Andrew J. P.; Long, Nicholas J.","Hemilabile and reversible carbon monoxide binding properties of iron(II), cobalt(II) and nickel(II) complexes containing a new tridentate P-S-N ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","83","89","10.1039/c1dt11248a","","","1.54184","CuKα","","0.0329","0.0295","","","0.0784","0.0803","","","","","","1.077","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017605","7.7997","0.0016","11.293","0.002","7.4265","0.0015","90","","91.64","0.03","90","","653.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N2 O3 P -","- C4 H5 N2 O3 P -","- C16 H20 N8 O12 P4 -","4","1","","Ma, Yun-Sheng; Tang, Xiao-Yan; Yin, Wen-Yu; Wu, Bin; Xue, Feng-Feng; Yuan, Rong-Xin; Roy, Soumyajit","Zinc and cadmium 2-pyrazinephosphonates: Syntheses, structures and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2340","2345","10.1039/c1dt11250c","","","0.71073","MoKα","","0.0912","0.059","","","0.1483","0.1648","","","","","","1.01","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017606","12.577","0.003","5.5313","0.0011","10.798","0.002","90","","94.32","0.03","90","","749.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 Cd N2 O4 P -","- C4 H5 Cd N2 O4 P -","- C16 H20 Cd4 N8 O16 P4 -","4","1","","Ma, Yun-Sheng; Tang, Xiao-Yan; Yin, Wen-Yu; Wu, Bin; Xue, Feng-Feng; Yuan, Rong-Xin; Roy, Soumyajit","Zinc and cadmium 2-pyrazinephosphonates: Syntheses, structures and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2340","2345","10.1039/c1dt11250c","","","0.71073","MoKα","","0.0488","0.0342","","","0.0574","0.0608","","","","","","1.1","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017607","7.5642","0.0015","8.0244","0.0016","10.407","0.002","90","","101.7","0.03","90","","618.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 N2 O3 P Zn -","- C4 H3 N2 O3 P Zn -","- C16 H12 N8 O12 P4 Zn4 -","4","1","","Ma, Yun-Sheng; Tang, Xiao-Yan; Yin, Wen-Yu; Wu, Bin; Xue, Feng-Feng; Yuan, Rong-Xin; Roy, Soumyajit","Zinc and cadmium 2-pyrazinephosphonates: Syntheses, structures and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2340","2345","10.1039/c1dt11250c","","","0.71073","MoKα","","0.0292","0.0258","","","0.0621","0.0634","","","","","","1.053","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017608","5.6914","0.0011","7.0423","0.0014","11.57","0.002","79.5","0.03","77.9","0.03","71.68","0.03","427.05","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H6 Cd Cl N2 O4 P -","- C4 H6 Cd Cl N2 O4 P -","- C8 H12 Cd2 Cl2 N4 O8 P2 -","2","1","","Ma, Yun-Sheng; Tang, Xiao-Yan; Yin, Wen-Yu; Wu, Bin; Xue, Feng-Feng; Yuan, Rong-Xin; Roy, Soumyajit","Zinc and cadmium 2-pyrazinephosphonates: Syntheses, structures and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2340","2345","10.1039/c1dt11250c","","","0.71073","MoKα","","0.05","0.0397","","","0.0737","0.0767","","","","","","1.067","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017609","29.4619","0.0007","18.6123","0.0007","27.2737","0.0009","90","","113.343","0.002","90","","13731.5","0.8","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H111 Mo5 N3 O19 Ti -","- C49 H111 Mo5 N3 O19 Ti -","- C392 H888 Mo40 N24 O152 Ti8 -","8","1","","Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John","Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","971","981","10.1039/c1dt11256b","","","0.71073","MoKα","","0.0747","0.0682","","","0.1357","0.1389","","","","","","1.273","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017610","24.9233","0.0005","33.6182","0.0008","16.8302","0.0003","90","","90.915","0.002","90","","14099.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H118.5 Mo5 N3.5 O19 Ti -","- C53 H117 Mo5 N3.5 O19 Ti -","- C424 H936 Mo40 N28 O152 Ti8 -","8","2","","Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John","Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","971","981","10.1039/c1dt11256b","","","0.71073","MoKα","","0.0987","0.0586","","","0.0968","0.1048","","","","","","1.029","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017611","23.8573","0.0014","16.9901","0.001","17.309","0.001","90","","90","","90","","7016","0.7","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C55 H115 Mo5 N3 O19 Ti -","- C55 H116 Mo5 N3 O19 Ti -","- C220 H464 Mo20 N12 O76 Ti4 -","4","0.5","","Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John","Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","971","981","10.1039/c1dt11256b","","","0.71073","MoKα","","0.1081","0.0964","","","0.1801","0.1843","","","","","","1.334","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017612","24.049","0.004","17.521","0.003","17.242","0.003","90","","90","","90","","7265","2","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C55 H113 Mo5 N3 O20 Ti -","- C54 H112.5 Mo5 N3 O20 Ti -","- C216 H450 Mo20 N12 O80 Ti4 -","4","0.5","","Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John","Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","971","981","10.1039/c1dt11256b","","","0.71073","MoKα","","0.2085","0.0748","","","0.1667","0.242","","","","","","0.99","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017613","16.1864","0.0017","16.1864","0.0017","50.752","0.007","90","","90","","90","","13297","3","160","2","160","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C100 H222 Mo10 N8 O37 Ti2 -","- C100 H216 Mo10 N8 O37 Ti2 -","- C400 H864 Mo40 N32 O148 Ti8 -","4","0.5","","Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John","Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","971","981","10.1039/c1dt11256b","","","0.71073","MoKα","","0.0484","0.04","","","0.0874","0.0907","","","","","","1.114","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017614","9.8323","0.0003","9.8323","0.0003","28.27","0.0013","90","","90","","90","","2732.98","0.17","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H5 Bi O16 -","- C16 Bi O16 -","- C64 Bi4 O64 -","4","0.25","","Gao, Hui; Zhang, Xian-Ming","Three novel Bi(iii) complexes with in situ generated anilate ligands: unusual oxidation of cyclohexanedione to dihydroxy benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1562","1567","10.1039/c1dt11258a","","","0.71073","MoKα","","0.061","0.0535","","","0.1628","0.1702","","","","","","1.186","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017615","9.6935","0.0006","10.0302","0.0006","11.5844","0.0007","65.978","0.001","66.768","0.001","63.343","0.001","887.93","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Bi2 N4 O20 -","- C26 H34 Bi2 N4 O20 -","- C26 H34 Bi2 N4 O20 -","1","0.5","","Gao, Hui; Zhang, Xian-Ming","Three novel Bi(iii) complexes with in situ generated anilate ligands: unusual oxidation of cyclohexanedione to dihydroxy benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1562","1567","10.1039/c1dt11258a","","","0.71073","MoKα","","0.0332","0.0288","","","0.0646","0.0668","","","","","","1.085","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017616","10.1663","0.0005","20.7198","0.001","11.3749","0.0005","90","","112.533","0.001","90","","2213.13","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Bi2 N4 O24 -","- C34 H38 Bi2 N4 O24 -","- C68 H76 Bi4 N8 O48 -","2","0.5","","Gao, Hui; Zhang, Xian-Ming","Three novel Bi(iii) complexes with in situ generated anilate ligands: unusual oxidation of cyclohexanedione to dihydroxy benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1562","1567","10.1039/c1dt11258a","","","0.71073","MoKα","","0.0484","0.0329","","","0.0717","0.0796","","","","","","1.021","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017617","11.3372","0.0002","11.4394","0.0002","13.2279","0.0003","90.974","0.001","109.646","0.001","110.002","0.001","1501.23","0.05","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","2","","Rojas, Rene S.; Cabrera, Alan R.; Peoples, Brian C.; Spannhoff, Kirsten; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Synthesis of [(π-cyano-P-nacnac)Cp] and [(π-cyano-nacnac)Cp]-zirconium complexes, and their remote activation for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1243","1251","10.1039/c1dt11261a","","","0.71073","MoKα","","0.0799","0.0634","","","0.1341","0.1492","","","","","","1.063","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017618","7.6639","0.0001","13.2857","0.0002","25.1922","0.0005","90","","90","","90","","2565.08","0.07","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H21 Cl2 N3 Zr -","- C23 H21 Cl2 N3 Zr -","- C92 H84 Cl8 N12 Zr4 -","4","0.5","","Rojas, Rene S.; Cabrera, Alan R.; Peoples, Brian C.; Spannhoff, Kirsten; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Synthesis of [(π-cyano-P-nacnac)Cp] and [(π-cyano-nacnac)Cp]-zirconium complexes, and their remote activation for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1243","1251","10.1039/c1dt11261a","","","0.71073","MoKα","","0.0454","0.0406","","","0.1144","0.119","","","","","","1.015","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017619","10.7744","0.0002","12.2695","0.0003","18.4381","0.0004","101.946","0.001","99.864","0.001","91.168","0.002","2345.47","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H33 B Cl2 F15 N3 Zr -","- C46 H33 B Cl2 F15 N3 Zr -","- C92 H66 B2 Cl4 F30 N6 Zr2 -","2","1","","Rojas, Rene S.; Cabrera, Alan R.; Peoples, Brian C.; Spannhoff, Kirsten; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Synthesis of [(π-cyano-P-nacnac)Cp] and [(π-cyano-nacnac)Cp]-zirconium complexes, and their remote activation for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1243","1251","10.1039/c1dt11261a","","","0.71073","MoKα","","0.0834","0.0672","","","0.1576","0.1754","","","","","","1.096","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017620","11.288","0.0001","13.1301","0.0002","20.3011","0.0003","87.214","0.001","81.712","0.001","78.068","0.001","2912.57","0.07","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H37 B Cl4 F15 N3 P2 Zr -","- C62 H37 B Cl4 F15 N3 P2 Zr -","- C124 H74 B2 Cl8 F30 N6 P4 Zr2 -","2","1","","Rojas, Rene S.; Cabrera, Alan R.; Peoples, Brian C.; Spannhoff, Kirsten; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Synthesis of [(π-cyano-P-nacnac)Cp] and [(π-cyano-nacnac)Cp]-zirconium complexes, and their remote activation for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1243","1251","10.1039/c1dt11261a","","","0.71073","MoKα","","0.0616","0.0553","","","0.1422","0.1512","","","","","","1.052","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017621","10.2317","0.0002","22.4233","0.0004","20.5016","0.0005","90","","98.196","0.001","90","","4655.61","0.17","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Cl6 N3 P2 Zr -","- C45 H39 Cl6 N3 P2 Zr -","- C180 H156 Cl24 N12 P8 Zr4 -","4","1","","Rojas, Rene S.; Cabrera, Alan R.; Peoples, Brian C.; Spannhoff, Kirsten; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Synthesis of [(π-cyano-P-nacnac)Cp] and [(π-cyano-nacnac)Cp]-zirconium complexes, and their remote activation for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1243","1251","10.1039/c1dt11261a","","","0.71073","MoKα","","0.0977","0.0799","","","0.1864","0.1991","","","","","","1.051","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017622","8.6224","0.001","13.216","0.0015","13.67","0.0016","73.414","0.001","75.458","0.002","74.06","0.001","1410.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 Cl F6 N7 P Ru -","- C25 H21 Cl F6 N7 P Ru -","- C50 H42 Cl2 F12 N14 P2 Ru2 -","2","1","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.0588","0.0473","","","0.1159","0.1286","","","","","","1.066","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017623","12.3914","0.0005","12.4815","0.0005","14.0312","0.0005","64.465","0.004","84.53","0.003","88.815","0.003","1948.72","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H48 Ag2 Cl2 F24 N16 P4 Ru2 -","- C54 H48 Ag2 Cl2 F24 N16 P4 Ru2 -","- C54 H48 Ag2 Cl2 F24 N16 P4 Ru2 -","1","0.5","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.0986","0.0579","","","0.1534","0.1648","","","","","","1.027","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017624","8.1643","0.0012","9.0931","0.0015","24.71","0.003","80.746","0.001","82.595","0.001","89.961","0.002","1795.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 F12 N9 P2 Ru -","- C29 H27 F12 N9 P2 Ru -","- C58 H54 F24 N18 P4 Ru2 -","2","1","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.1093","0.0658","","","0.1556","0.1833","","","","","","0.985","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017625","19.5793","0.0009","14.3329","0.0006","16.3835","0.0007","90","","91.407","0.004","90","","4596.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H39 F12 N9 P2 Ru -","- C40 H39 F12 N9 P2 Ru -","- C160 H156 F48 N36 P8 Ru4 -","4","0.5","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.079","0.0697","","","0.2077","0.2199","","","","","","1.107","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017626","22.613","0.002","12.4255","0.0014","29.17","0.003","90","","90","","90","","8196.1","1.4","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H36 Cl F6 N7 P2 Ru -","- C43 H36 Cl F6 N7 P2 Ru -","- C344 H288 Cl8 F48 N56 P16 Ru8 -","8","1","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.1303","0.0733","","","0.1814","0.2289","","","","","","1.032","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017627","22.247","0.002","7.5266","0.0009","33.04","0.003","90","","90","","90","","5532.4","1","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H18 Cl F6 N6 O2 P Ru -","- C25 H18 Cl F6 N6 O2 P Ru -","- C200 H144 Cl8 F48 N48 O16 P8 Ru8 -","8","1","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.1279","0.0915","","","0.1862","0.205","","","","","","1.192","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017628","10.4399","0.0003","13.3041","0.0003","29.3523","0.001","90","","98.634","0.003","90","","4030.6","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Cl F6 N6 O P2 Ru -","- C42 H33 Cl F6 N6 O P2 Ru -","- C168 H132 Cl4 F24 N24 O4 P8 Ru4 -","4","1","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.1049","0.0673","","","0.1978","0.2179","","","","","","1.023","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017629","12.0057","0.0014","14.0262","0.0015","15.237","0.002","89.65","0.005","81.378","0.005","71.638","0.006","2405.4","0.5","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C48.64 H45.64 Cl1.92 N O8 P2 Ru -","- C48 H45 N O8 P2 Ru -","- C96 H90 N2 O16 P4 Ru2 -","2","1","","Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Lee, Hyosun; Fronczek, Chris F.; Fronczek, Frank R.; Natarajan, Karuppannan","Ruthenium(II)/(III) complexes of 4-hydroxy-pyridine-2,6-dicarboxylic acid with PPh(3)/AsPh(3) as co-ligand: Impact of oxidation state and co-ligands on anticancer activity in vitro.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2066","2077","10.1039/c1dt11273b","","","0.71073","MoKα","","0.066","0.044","","","0.107","0.114","","","","","","1.091","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017630","12.0311","0.0015","13.5729","0.0015","13.996","0.002","84.593","0.007","71.947","0.006","64.431","0.007","1958.1","0.5","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C44.9 H35.9 Cl1.2 N1.9 O5 P2 Ru -","- C44.899 H35.899 Cl1.202 N1.899 O5 P2 Ru -","- C89.798 H71.798 Cl2.404 N3.798 O10 P4 Ru2 -","2","1","","Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Lee, Hyosun; Fronczek, Chris F.; Fronczek, Frank R.; Natarajan, Karuppannan","Ruthenium(II)/(III) complexes of 4-hydroxy-pyridine-2,6-dicarboxylic acid with PPh(3)/AsPh(3) as co-ligand: Impact of oxidation state and co-ligands on anticancer activity in vitro.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2066","2077","10.1039/c1dt11273b","","","0.71073","MoKα","","0.065","0.04","","","0.102","0.129","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017631","12.3411","0.0014","13.692","0.0015","14.2068","0.0015","82.983","0.006","69.879","0.005","63.268","0.005","2011.6","0.4","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C45 H36 As2 Cl N2 O5 Ru -","- C45 H36 As2 Cl N2 O5 Ru -","- C90 H72 As4 Cl2 N4 O10 Ru2 -","2","1","","Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Lee, Hyosun; Fronczek, Chris F.; Fronczek, Frank R.; Natarajan, Karuppannan","Ruthenium(II)/(III) complexes of 4-hydroxy-pyridine-2,6-dicarboxylic acid with PPh(3)/AsPh(3) as co-ligand: Impact of oxidation state and co-ligands on anticancer activity in vitro.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2066","2077","10.1039/c1dt11273b","","","0.71073","MoKα","","0.0705","0.0392","","","0.08","0.0886","","","","","","1.032","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017632","16.5","0.003","16.552","0.003","18.284","0.003","107.773","0.004","110.392","0.003","96.086","0.004","4329.2","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 B2 F2 Fe N7 O6 -","- C46 H36 B2 F2 Fe N7 O6 -","- C184 H144 B8 F8 Fe4 N28 O24 -","4","2","","Voloshin, Yan Z.; Belov, Alexander S.; Varzatskii, Oleg A.; Shul'ga, Sergey V.; Stuzhin, Pavel A.; Starikova, Zoya A.; Lebed, Ekaterina G.; Bubnov, Yurii N.","Synthesis and structure of the first clathrochelate iron(II) tris-dioximates with inherent nitrile substituent(s) and new dehalogenation‒reduction reaction at a quasi-aromatic macrobicyclic framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","921","928","10.1039/c1dt11285f","","","0.71073","MoKα","","0.2381","0.0727","","","0.1274","0.1707","","","","","","1.044","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017633","15.266","0.004","10.531","0.003","27.206","0.007","90","","91.307","0.005","90","","4373","2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 B2 F2 Fe I2 N6 O6 -","- C42 H32 B2 F2 Fe I2 N6 O6 -","- C168 H128 B8 F8 Fe4 I8 N24 O24 -","4","1","","Voloshin, Yan Z.; Belov, Alexander S.; Varzatskii, Oleg A.; Shul'ga, Sergey V.; Stuzhin, Pavel A.; Starikova, Zoya A.; Lebed, Ekaterina G.; Bubnov, Yurii N.","Synthesis and structure of the first clathrochelate iron(II) tris-dioximates with inherent nitrile substituent(s) and new dehalogenation‒reduction reaction at a quasi-aromatic macrobicyclic framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","921","928","10.1039/c1dt11285f","","","0.71073","MoKα","","0.0928","0.078","","","0.1515","0.1577","","","","","","1.006","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017634","15.439","0.003","15.439","0.003","37.996","0.007","90","","90","","120","","7843","3","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C100 H172 N12 O16 -","- C99.99 H171.96 N12 O15.99 -","- C299.97 H515.88 N36 O47.97 -","3","0.333333","","Kobyłka, Michał J; Janczak, Jan; Lis, Tadeusz; Kowalik-Jankowska, Teresa; Kłak, Julia; Pietruszka, Marta; Lisowski, Jerzy","Trinuclear Cu(ii) complexes of a chiral N(6)O(3) amine.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1503","1511","10.1039/c1dt11286d","","","0.71073","MoKα","","0.1134","0.0739","","","0.1535","0.1684","","","","","","1.01","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017635","13.476","0.005","15.687","0.007","27.56","0.01","90","","90","","90","","5826","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H71 Cl7 Cu3 N6 O5 -","- C47 H68 Cl7 Cu3 N6 O5 -","- C188 H272 Cl28 Cu12 N24 O20 -","4","1","","Kobyłka, Michał J; Janczak, Jan; Lis, Tadeusz; Kowalik-Jankowska, Teresa; Kłak, Julia; Pietruszka, Marta; Lisowski, Jerzy","Trinuclear Cu(ii) complexes of a chiral N(6)O(3) amine.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1503","1511","10.1039/c1dt11286d","","","0.71073","MoKα","","0.0719","0.0462","","","0.0823","0.085","","","","","","1.136","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017636","15.41","0.002","15.41","0.002","49.357","0.009","90","","90","","120","","10150","3","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C51 H72 Cu3 N6 O9 -","- C50.95 H69.93 Cu3 N6 O8.955 -","- C305.7 H419.58 Cu18 N36 O53.73 -","6","0.666667","","Kobyłka, Michał J; Janczak, Jan; Lis, Tadeusz; Kowalik-Jankowska, Teresa; Kłak, Julia; Pietruszka, Marta; Lisowski, Jerzy","Trinuclear Cu(ii) complexes of a chiral N(6)O(3) amine.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1503","1511","10.1039/c1dt11286d","","","0.71073","MoKα","","0.0951","0.0778","","","0.1851","0.1956","","","","","","1.146","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017637","9.0359","0.0008","15.6389","0.0014","15.8476","0.0014","65.717","0.003","79.311","0.003","79.589","0.003","1992.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H36 Fe N6 O2 P -","- C47 H36 Fe N6 O2 P -","- C94 H72 Fe2 N12 O4 P2 -","2","1","","Yoo, In Young; Won Ryu, Dae; Hee Yoon, Jung; Ram Sohn, Ah; Soo Lim, Kwang; Ki Cho, Beong; Kwan Koh, Eui; Seop Hong, Chang","Syntheses, structures, and magnetic characterizations of cyanide-bridged Fe(III)Mn(III) chains constructed by mer-Fe(iii)tricyanide and Mn(iii) Schiff bases: Magnetostructural relationship.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1776","1785","10.1039/c1dt11293g","","","0.71073","MoKα","","0.1929","0.1352","","","0.2573","0.2813","","","","","","1.227","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017638","10.2408","0.0009","29.238","0.003","10.9738","0.001","90","","103.66","0.004","90","","3192.8","0.5","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 F2 Fe Mn N8 O3 -","- C38 H24 F2 Fe Mn N8 O3 -","- C152 H96 F8 Fe4 Mn4 N32 O12 -","4","1","","Yoo, In Young; Won Ryu, Dae; Hee Yoon, Jung; Ram Sohn, Ah; Soo Lim, Kwang; Ki Cho, Beong; Kwan Koh, Eui; Seop Hong, Chang","Syntheses, structures, and magnetic characterizations of cyanide-bridged Fe(III)Mn(III) chains constructed by mer-Fe(iii)tricyanide and Mn(iii) Schiff bases: Magnetostructural relationship.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1776","1785","10.1039/c1dt11293g","","","0.71073","MoKα","","0.1313","0.0715","","","0.1274","0.1489","","","","","","1.038","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017639","8.8536","0.0015","19.518","0.004","20.676","0.004","90","","93.255","0.005","90","","3567.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H31 F2 Fe Mn N8 O5.5 -","- C39 H24 F2 Fe Mn N8 O5.5 -","- C156 H96 F8 Fe4 Mn4 N32 O22 -","4","1","","Yoo, In Young; Won Ryu, Dae; Hee Yoon, Jung; Ram Sohn, Ah; Soo Lim, Kwang; Ki Cho, Beong; Kwan Koh, Eui; Seop Hong, Chang","Syntheses, structures, and magnetic characterizations of cyanide-bridged Fe(III)Mn(III) chains constructed by mer-Fe(iii)tricyanide and Mn(iii) Schiff bases: Magnetostructural relationship.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1776","1785","10.1039/c1dt11293g","","","0.71073","MoKα","","0.3532","0.1509","","","0.3214","0.4126","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017640","10.748","0.001","26.287","0.003","12.929","0.0013","90","","107.837","0.015","90","","3477.3","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Fe Mn N8 O3 -","- C38 H26 Fe Mn N8 O3 -","- C152 H104 Fe4 Mn4 N32 O12 -","4","1","","Yoo, In Young; Won Ryu, Dae; Hee Yoon, Jung; Ram Sohn, Ah; Soo Lim, Kwang; Ki Cho, Beong; Kwan Koh, Eui; Seop Hong, Chang","Syntheses, structures, and magnetic characterizations of cyanide-bridged Fe(III)Mn(III) chains constructed by mer-Fe(iii)tricyanide and Mn(iii) Schiff bases: Magnetostructural relationship.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1776","1785","10.1039/c1dt11293g","","","0.75","synchrotron","","0.0857","0.0701","","","0.1982","0.2141","","","","","","1.051","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017641","8.74","0.0015","19.893","0.004","21.134","0.004","90","","91.895","0.003","90","","3672.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 Cl2 Fe Mn N8 O3 -","- C38 H24 Cl2 Fe Mn N8 O3 -","- C152 H96 Cl8 Fe4 Mn4 N32 O12 -","4","1","","Yoo, In Young; Won Ryu, Dae; Hee Yoon, Jung; Ram Sohn, Ah; Soo Lim, Kwang; Ki Cho, Beong; Kwan Koh, Eui; Seop Hong, Chang","Syntheses, structures, and magnetic characterizations of cyanide-bridged Fe(III)Mn(III) chains constructed by mer-Fe(iii)tricyanide and Mn(iii) Schiff bases: Magnetostructural relationship.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1776","1785","10.1039/c1dt11293g","","","0.71073","MoKα","","0.2071","0.0814","","","0.1494","0.1881","","","","","","0.869","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017642","17.9158","0.0008","12.0674","0.0005","20.8933","0.0008","90","","96.54","0.001","90","","4487.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 Br2 Fe Mn N11 O4 -","- C44 H33 Br2 Fe Mn N11 O4 -","- C176 H132 Br8 Fe4 Mn4 N44 O16 -","4","1","","Yoo, In Young; Won Ryu, Dae; Hee Yoon, Jung; Ram Sohn, Ah; Soo Lim, Kwang; Ki Cho, Beong; Kwan Koh, Eui; Seop Hong, Chang","Syntheses, structures, and magnetic characterizations of cyanide-bridged Fe(III)Mn(III) chains constructed by mer-Fe(iii)tricyanide and Mn(iii) Schiff bases: Magnetostructural relationship.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1776","1785","10.1039/c1dt11293g","","","0.71073","MoKα","","0.1147","0.0541","","","0.1365","0.1703","","","","","","1.04","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017643","5.4351","0.0003","9.9164","0.0004","14.5715","0.0006","83.27","0.004","80.137","0.004","86.72","0.004","767.86","0.06","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 F26 N2 -","- C26 H14 F26 N2 -","- C26 H14 F26 N2 -","1","0.5","","Mikhaylov, Dmitry; Gryaznova, Tatyana; Dudkina, Yulia; Khrizanphorov, Mikhail; Latypov, Shamil; Kataeva, Olga; Vicic, David A.; Sinyashin, Oleg G.; Budnikova, Yulia","Electrochemical nickel-induced fluoroalkylation: synthetic, structural and mechanistic study.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","165","172","10.1039/c1dt11299f","","","0.71073","MoKα","","0.0446","0.0364","","","0.1032","0.1089","","","","","","1.068","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017644","12.266","0.006","22.489","0.002","10.538","0.005","90","","95.81","0.01","90","","2892","2","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C28 H20 F22 -","- C28 H20 F22 -","- C112 H80 F88 -","4","2","","Mikhaylov, Dmitry; Gryaznova, Tatyana; Dudkina, Yulia; Khrizanphorov, Mikhail; Latypov, Shamil; Kataeva, Olga; Vicic, David A.; Sinyashin, Oleg G.; Budnikova, Yulia","Electrochemical nickel-induced fluoroalkylation: synthetic, structural and mechanistic study.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","165","172","10.1039/c1dt11299f","","x-ray","0.71073","MoKα","","0.1328","0.0796","","","0.1813","0.2091","","","","","","0.894","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017645","16.091","0.001","5.905","0.001","16.645","0.001","90","","110.047","0.005","90","","1485.7","0.3","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F24 N2 -","- C26 H16 F24 N2 -","- C52 H32 F48 N4 -","2","0.5","","Mikhaylov, Dmitry; Gryaznova, Tatyana; Dudkina, Yulia; Khrizanphorov, Mikhail; Latypov, Shamil; Kataeva, Olga; Vicic, David A.; Sinyashin, Oleg G.; Budnikova, Yulia","Electrochemical nickel-induced fluoroalkylation: synthetic, structural and mechanistic study.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","165","172","10.1039/c1dt11299f","","","0.71073","MoKα","","0.0571","0.039","","","0.0966","0.1058","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017646","14.233","0.002","17.313","0.003","11.714","0.003","90","","90","","90","","2886.5","1","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H26.5 Cd N4.5 O5.5 -","- C18 H13 Cd N3 O4 -","- C72 H52 Cd4 N12 O16 -","4","1","","Wang, Hai-Ning; Meng, Xing; Qin, Chao; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","A series of pillar-layer metal-organic frameworks based on 5-aminoisophthalic acid and 4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1047","1053","10.1039/c1dt11304f","","","0.71069","MoKα","","0.0745","0.0517","","","0.1036","0.111","","","","","","0.916","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017647","14.296","0.004","17.317","0.005","11.714","0.006","90","","90","","90","","2900","1.9","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C22.1 H29.4 Cd N3 O8.1 -","- C18 H13 Cd N3 O4 -","- C72 H52 Cd4 N12 O16 -","4","0.5","","Wang, Hai-Ning; Meng, Xing; Qin, Chao; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","A series of pillar-layer metal-organic frameworks based on 5-aminoisophthalic acid and 4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1047","1053","10.1039/c1dt11304f","","","0.71069","MoKα","","0.0635","0.058","","","0.1737","0.1785","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017648","14.304","0.0016","16.97","0.002","11.098","0.002","90","","90","","90","","2693.9","0.7","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C23.2 H24.7 Cu N4.3 O5.3 -","- C18 H13 Cu N3 O4 -","- C72 H52 Cu4 N12 O16 -","4","0.5","","Wang, Hai-Ning; Meng, Xing; Qin, Chao; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","A series of pillar-layer metal-organic frameworks based on 5-aminoisophthalic acid and 4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1047","1053","10.1039/c1dt11304f","","","0.71069","MoKα","","0.0877","0.0774","","","0.2151","0.2243","","","","","","1.105","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017649","14.324","0.003","16.713","0.003","11.371","0.002","90","","90","","90","","2722.2","0.9","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C24.4 H27.4 Co N4.6 O5.6 -","- C18 H13 Co N3 O4 -","- C72 H52 Co4 N12 O16 -","4","0.5","","Wang, Hai-Ning; Meng, Xing; Qin, Chao; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","A series of pillar-layer metal-organic frameworks based on 5-aminoisophthalic acid and 4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1047","1053","10.1039/c1dt11304f","","","0.71069","MoKα","","0.1453","0.0817","","","0.1855","0.2044","","","","","","0.991","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017650","31.659","0.0006","10.099","0.0009","6.311","0.0015","90","","90.08","0.001","90","","2017.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18.2 H22.7 Cd N3.3 O6.3 -","- C13 H7 Cd N2 O5 -","- C52 H28 Cd4 N8 O20 -","4","0.5","","Wang, Hai-Ning; Meng, Xing; Qin, Chao; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","A series of pillar-layer metal-organic frameworks based on 5-aminoisophthalic acid and 4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1047","1053","10.1039/c1dt11304f","","","0.71069","MoKα","","0.0263","0.0231","","","0.061","0.0619","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017651","21.132","0.003","12.5246","0.0017","17.107","0.002","90","","120.487","0.013","90","","3901.7","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H19 Cl N2 S Si -","- C21.5 H19 Cl N2 S Si -","- C172 H152 Cl8 N16 S8 Si8 -","8","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0463","0.0366","","","0.0926","0.0975","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017652","21.133","0.004","12.662","0.003","17.279","0.004","90","","121.25","0.03","90","","3953","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H19 Br N2 S Si -","- C21.5 H19 Br N2 S Si -","- C172 H152 Br8 N16 S8 Si8 -","8","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0495","0.0317","","","0.0736","0.0795","","","","","","0.96","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017653","21.439","0.004","12.6603","0.0018","16.963","0.002","90","","118.544","0.015","90","","4044.5","1.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H19 N3 O S Si -","- C22.5 H19 N3 O S Si -","- C180 H152 N24 O8 S8 Si8 -","8","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0625","0.0452","","","0.117","0.1262","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017654","11.1469","0.0013","22.193","0.003","29.661","0.005","90","","90","","90","","7337.6","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 S2 Si -","- C19 H15 N3 S2 Si -","- C304 H240 N48 S32 Si16 -","16","2","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0837","0.0571","","","0.1548","0.1711","","","","","","1.058","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017655","12.0354","0.0017","13.1538","0.0018","12.9714","0.0018","90","","95.259","0.017","90","","2044.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H19 N5 S Si -","- C21.5 H19 N5 S Si -","- C86 H76 N20 S4 Si4 -","4","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0711","0.0476","","","0.1241","0.1345","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017656","9.972","0.002","11.273","0.002","11.806","0.002","65.48","0.03","73.49","0.03","74.68","0.03","1141.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22.5 H19 F3 N2 O3 S2 Si -","- C22.5 H19 F3 N2 O3 S2 Si -","- C45 H38 F6 N4 O6 S4 Si2 -","2","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0509","0.0383","","","0.1045","0.111","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017657","7.1864","0.0015","9.7269","0.0019","18.971","0.004","90","","96.328","0.005","90","","1318","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 S Si -","- C13 H13 Cl N2 S Si -","- C52 H52 Cl4 N8 S4 Si4 -","4","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0386","0.0337","","","0.0826","0.0853","","","","","","1.132","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017658","10.258","0.002","7.6485","0.0012","22.037","0.005","90","","94.92","0.03","90","","1722.6","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O S Si -","- C19 H18 N2 O S Si -","- C76 H72 N8 O4 S4 Si4 -","4","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0478","0.0382","","","0.0994","0.1045","","","","","","1.082","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017659","7.5524","0.0015","16.297","0.003","14.284","0.003","90","","97.34","0.03","90","","1743.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 S2 Si -","- C19 H18 N2 S2 Si -","- C76 H72 N8 S8 Si4 -","4","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0504","0.0404","","","0.1081","0.1134","","","","","","1.057","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017660","7.5484","0.0012","16.447","0.004","14.428","0.002","90","","97.973","0.019","90","","1773.9","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 S Se Si -","- C19 H18 N2 S Se Si -","- C76 H72 N8 S4 Se4 Si4 -","4","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0401","0.0294","","","0.076","0.0797","","","","","","1.049","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017661","18.327","0.002","18.327","0.002","18.327","0.002","116.627","0.017","116.627","0.017","116.627","0.017","2870","4","173","2","173","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C19 H18 N2 S Si Te -","- C19 H18 N2 S Si Te -","- C114 H108 N12 S6 Si6 Te6 -","6","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0574","0.0471","","","0.0946","0.0987","","","","","","1.068","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017662","7.7449","0.001","15.308","0.002","15.082","0.002","90","","98.831","0.015","90","","1766.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl F5 N2 S Si -","- C18 H10 Cl F5 N2 S Si -","- C72 H40 Cl4 F20 N8 S4 Si4 -","4","1","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0452","0.0348","","","0.0912","0.0957","","","","","","1.078","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017663","7.0267","0.0015","20.857","0.005","9.927","0.002","90","","101.113","0.012","90","","1427.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu2 N14 -","- C6 H14 Cu2 N14 -","- C24 H56 Cu8 N56 -","4","1","","Mukherjee, Sandip; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Cu(II)-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","54","64","10.1039/c1dt11312g","","","0.71073","MoKα","","0.0919","0.0546","","","0.1078","0.1266","","","","","","1.041","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017664","7.628","0.0003","8.2478","0.0004","9.905","0.0004","92.252","0.003","91.946","0.003","98.562","0.003","615.24","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 Cu2 N14 -","- C3 H10 Cu2 N14 -","- C6 H20 Cu4 N28 -","2","1","","Mukherjee, Sandip; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Cu(II)-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","54","64","10.1039/c1dt11312g","","","0.71073","MoKα","","0.0588","0.0423","","","0.113","0.1225","","","","","","0.972","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017665","7.6737","0.0003","9.4801","0.0004","11.3796","0.0005","113.678","0.002","92.067","0.002","93.776","0.002","754.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H24 Cu5 N34 -","- C8 H24 Cu5 N34 -","- C8 H24 Cu5 N34 -","1","0.5","","Mukherjee, Sandip; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Cu(II)-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","54","64","10.1039/c1dt11312g","","","0.71073","MoKα","","0.038","0.0279","","","0.0677","0.0714","","","","","","1.041","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017666","35.781","0.005","9.4505","0.0013","15.367","0.002","90","","109.974","0.003","90","","4883.8","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cu N8 -","- C4 H12 Cu N8 -","- C80 H240 Cu20 N160 -","20","2.5","","Mukherjee, Sandip; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Cu(II)-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","54","64","10.1039/c1dt11312g","","","0.71073","MoKα","","0.1002","0.0517","","","0.0983","0.1176","","","","","","1.009","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7017667","4.698","0.001","7.2246","0.0006","13.52","0.001","90","","90","","90","","458.88","0.11","298","2","298","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Br Hg2 I3 -","- Br Hg2 I3 -","- Br2 Hg4 I6 -","2","0.25","","Li, Yanjun; Wang, Meng; Zhu, Tianxiang; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Synthesis, crystal structure and properties of a new candidate for nonlinear optical material in the IR region: Hg2BrI3.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","763","766","10.1039/c1dt11317h","","","0.71073","MoKα","","0.0718","0.0716","","","0.1885","0.189","","","","","","1.132","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017668","5.1828","0.0002","8.9678","0.0003","5.1578","0.0002","90","","109.695","0.002","90","","225.702","0.015","298","","298","","","","","","","","Solid State Synthesis","4","C 1 2/m 1","-C 2y","12","Lithium Nickel Antimonate","Lithium Nickel Antimony Oxide","","- Li3 Ni2 O6 Sb -","- Li3 Ni2 O6 Sb -","- Li6 Ni4 O12 Sb2 -","2","0.25","","Zvereva, Elena A.; Evstigneeva, Maria A.; Nalbandyan, Vladimir B.; Savelieva, Olga A.; Ibragimov, Sergey A.; Volkova, Olga S.; Medvedeva, Larisa I.; Vasiliev, Alexander N.; Klingeler, Ruediger; Buechner, Bernd","Monoclinic honeycomb-layered compound Li3Ni2SbO6: preparation, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","572","580","10.1039/c1dt11322d","","","1.5406","CuKα~1~","","","","","","","","","","1.15","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017669","9.2423","0.0012","17.0996","0.0015","25.117","0.003","90","","90","","90","","3969.5","0.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DPBa","","","- C42 H48 Ba O4 P2 -","- C42 H48 Ba O4 P2 -","- C168 H192 Ba4 O16 P8 -","4","1","","Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.","Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","267","277","10.1039/c1dt11324k","","","0.71073","MoKα","","0.1594","0.077","","","0.0961","0.1214","","","","","","0.949","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017670","13.084","0.003","13.542","0.003","15.058","0.003","89.93","0.03","70.99","0.03","82.52","0.03","2498.6","1.1","123","","123","","","","","","","","","6","P -1","-P 1","2","DP145C","","","- C54 H70 O4.5 P2 Pt Sr -","- C54 H70 O4.5 P2 Pt Sr -","- C108 H140 O9 P4 Pt2 Sr2 -","2","1","","Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.","Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","267","277","10.1039/c1dt11324k","","","0.71073","MoKα","","0.1552","0.071","","","0.1266","0.156","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017671","8.4669","0.0002","14.9498","0.0004","26.8694","0.0009","90","","90","","90","","3401.09","0.17","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","6b","","","- C38 H38 Ca O2 P2 -","- C38 H38 Ca O2 P2 -","- C152 H152 Ca4 O8 P8 -","4","0.5","","Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.","Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","267","277","10.1039/c1dt11324k","","","0.7107","MoKα","","0.0629","0.0408","","","0.0871","0.0961","","","","","","1.02","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017672","12.7626","0.0004","14.101","0.0003","14.9014","0.0004","112.945","0.002","100.743","0.002","106.299","0.002","2233.61","0.12","123","","123","","","","","","","","","6","P -1","-P 1","2","DP368","","","- C50 H62 Ca O3.5 P2 Pt -","- C50 H62 Ca O3.5 P2 Pt -","- C100 H124 Ca2 O7 P4 Pt2 -","2","1","","Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.","Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","267","277","10.1039/c1dt11324k","","","0.71073","MoKα","","0.0333","0.0276","","","0.0647","0.0678","","","","","","1.111","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017673","13.2232","0.0003","22.8323","0.0006","26.7122","0.0007","68.84","0.001","81.103","0.001","75.637","0.001","7267","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","1","","","- C52 H66 Ba O4 P2 Pt -","- C52 H66 Ba O4 P2 Pt -","- C312 H396 Ba6 O24 P12 Pt6 -","6","3","","Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.","Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","267","277","10.1039/c1dt11324k","","","0.71073","MoKα","","0.0848","0.0415","","","0.0737","0.088","","","","","","1.017","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017674","12.109","0.001","14.5474","0.0013","16.2425","0.0013","97.755","0.006","109.636","0.005","97.349","0.006","2623.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H47 Cl Ir N5 P2 -","- C60.5 H46 Cl Ir N5 P2 -","- C121 H92 Cl2 Ir2 N10 P4 -","2","1","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.102","0.0795","","","0.205","0.2222","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017675","12.665","0.0007","17.0116","0.0009","17.1118","0.0009","109.362","0.002","99.524","0.002","101.425","0.002","3301.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H68 Cl6 Ir N5 P2 -","- C71 H68 Cl6 Ir N5 P2 -","- C142 H136 Cl12 Ir2 N10 P4 -","2","1","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.0884","0.0582","","","0.1507","0.171","","","","","","1.073","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017676","15.3695","0.0005","9.1499","0.0003","18.3135","0.0006","90","","109.919","0.001","90","","2421.34","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Ir2 K2 N8 O4 -","- C52 H48 Ir2 K2 N8 O4 -","- C104 H96 Ir4 K4 N16 O8 -","2","0.5","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.0222","0.018","","","0.043","0.0447","","","","","","1.045","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017677","11.0888","0.0004","12.1712","0.0005","12.9413","0.0005","100.582","0.002","95.497","0.002","90.196","0.002","1708.62","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Ir N9 Nd O8 -","- C30 H22 Ir N9 Nd O8 -","- C60 H44 Ir2 N18 Nd2 O16 -","2","1","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.0195","0.0173","","","0.0395","0.0402","","","","","","1.059","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017678","11.1072","0.0004","12.2186","0.0004","12.978","0.0004","100.351","0.002","95.361","0.002","90.093","0.002","1724.75","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 Ir2 La2 N18 O16 -","- C60 H58 Ir2 La2 N18 O16 -","- C60 H58 Ir2 La2 N18 O16 -","1","0.5","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.0287","0.0217","","","0.0474","0.0498","","","","","","1.031","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017679","11.088","0.0005","12.1795","0.0005","12.9537","0.0006","100.43","0.002","95.504","0.002","90.287","0.002","1712.06","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Ir N9 O8 Pr -","- C30 H22 Ir N9 O8 Pr -","- C60 H44 Ir2 N18 O16 Pr2 -","2","1","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.0372","0.0322","","","0.0847","0.0883","","","","","","1.06","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017680","9.3521","0.0003","17.6711","0.0005","19.5092","0.0006","64.194","0.001","88.939","0.002","81.078","0.002","2863.12","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H64 Cl Ir2 La N8 O10 -","- C54 H50 Cl Ir2 La N8 O10 -","- C108 H100 Cl2 Ir4 La2 N16 O20 -","2","1","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.0276","0.0233","","","0.0579","0.0602","","","","","","0.993","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017681","9.2299","0.0002","16.4704","0.0004","20.0201","0.0005","86.093","0.002","88.243","0.001","76.451","0.001","2951.54","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H67 Cl Gd Ir2 N8 O9.5 -","- C56 H56 Cl Gd Ir2 N8 O9.5 -","- C112 H112 Cl2 Gd2 Ir4 N16 O19 -","2","1","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.0811","0.0517","","","0.1097","0.1209","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017682","12.5286","0.001","16.3216","0.0013","31.872","0.003","86.41","0.004","86.247","0.004","73.232","0.004","6220.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C130 H109 Eu2 Ir2 N21 O19 P4 -","- C130 H107 Eu2 Ir2 N21 O19 P4 -","- C260 H214 Eu4 Ir4 N42 O38 P8 -","2","1","","Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.","Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2408","2419","10.1039/c1dt11328c","","","0.71073","MoKα","","0.0396","0.0271","","","0.0622","0.072","","","","","","1.079","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017683","22.8237","0.0007","9.3135","0.0003","15.0499","0.0005","90","","107.296","0.0014","90","","3054.47","0.17","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N4 Zn -","- C40 H28 N4 Zn -","- C160 H112 N16 Zn4 -","4","1","","Dime, Abdou K. D.; Devillers, Charles H.; Cattey, Hélène; Habermeyer, Benoît; Lucas, Dominique","Control over the oxidative reactivity of metalloporphyrins. Efficient electrosynthesis of meso,meso-linked zinc porphyrin dimer.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","929","936","10.1039/c1dt11330e","","","0.71073","MoKα","","0.0866","0.0612","","","0.1067","0.1169","","","","","","1.155","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017684","10.998","0.0002","16.0826","0.0004","22.0181","0.0005","73.0542","0.0008","81.998","0.0012","74.2166","0.0012","3577.32","0.14","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H72 N8 O3 Zn2 -","- C89 H72 N8 O3 Zn2 -","- C178 H144 N16 O6 Zn4 -","2","1","","Dime, Abdou K. D.; Devillers, Charles H.; Cattey, Hélène; Habermeyer, Benoît; Lucas, Dominique","Control over the oxidative reactivity of metalloporphyrins. Efficient electrosynthesis of meso,meso-linked zinc porphyrin dimer.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","929","936","10.1039/c1dt11330e","","","0.71073","MoKα","","0.0572","0.0451","","","0.1038","0.112","","","","","","1.08","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017685","12.478","0.005","15.326","0.005","18.404","0.005","68.759","0.005","77.929","0.005","69.453","0.005","3058.2","1.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H64 Cl2 Cu3 Mn N6 O16 -","- C57 H60 Cl2 Cu3 Mn N6 O16 -","- C114 H120 Cl4 Cu6 Mn2 N12 O32 -","2","1","","Biswas, Saptarshi; Naiya, Subrata; Gómez-García, Carlos J; Ghosh, Ashutosh","Synthesis of the first heterometalic star-shaped oxido-bridged MnCu3 complex and its conversion into trinuclear species modulated by pseudohalides (N3(-), NCS- and NCO-): structural analyses and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","462","473","10.1039/c1dt11333j","","","0.71073","MoKα","","0.0884","0.0585","","","0.1755","0.1995","","","","","","1.018","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017686","22.7481","0.0006","10.0972","0.0003","17.6258","0.0005","90","","97.242","0.001","90","","4016.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Cu2 Mn N10 O4 -","- C38 H40 Cu2 Mn N10 O4 -","- C152 H160 Cu8 Mn4 N40 O16 -","4","0.5","","Biswas, Saptarshi; Naiya, Subrata; Gómez-García, Carlos J; Ghosh, Ashutosh","Synthesis of the first heterometalic star-shaped oxido-bridged MnCu3 complex and its conversion into trinuclear species modulated by pseudohalides (N3(-), NCS- and NCO-): structural analyses and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","462","473","10.1039/c1dt11333j","","","0.71073","MoKα","","0.0854","0.0532","","","0.1874","0.2098","","","","","","1.053","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017687","21.153","0.0007","9.9031","0.0003","18.0054","0.0006","90","","91.833","0.001","90","","3769.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Cu2 Mn N6 O6 -","- C40 H40 Cu2 Mn N6 O6 -","- C160 H160 Cu8 Mn4 N24 O24 -","4","0.5","","Biswas, Saptarshi; Naiya, Subrata; Gómez-García, Carlos J; Ghosh, Ashutosh","Synthesis of the first heterometalic star-shaped oxido-bridged MnCu3 complex and its conversion into trinuclear species modulated by pseudohalides (N3(-), NCS- and NCO-): structural analyses and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","462","473","10.1039/c1dt11333j","","","0.71073","MoKα","","0.1135","0.0512","","","0.1285","0.1578","","","","","","0.899","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017688","23.54","0.005","10.194","0.005","17.215","0.005","90","","95.494","0.005","90","","4112","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Cu2 Mn N6 O4 S2 -","- C40 H40 Cu2 Mn N6 O4 S2 -","- C160 H160 Cu8 Mn4 N24 O16 S8 -","4","0.5","","Biswas, Saptarshi; Naiya, Subrata; Gómez-García, Carlos J; Ghosh, Ashutosh","Synthesis of the first heterometalic star-shaped oxido-bridged MnCu3 complex and its conversion into trinuclear species modulated by pseudohalides (N3(-), NCS- and NCO-): structural analyses and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","462","473","10.1039/c1dt11333j","","","0.71073","MoKα","","0.0674","0.0486","","","0.1748","0.1904","","","","","","1.09","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017689","14.574","0.003","11.54","0.003","12.711","0.003","90","","115.686","0.011","90","","1926.5","0.8","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cd N2 O5 S2 W -","- C14 H16 Cd N2 O5 S2 W -","- C56 H64 Cd4 N8 O20 S8 W4 -","4","1","","Denny, Jason A.; Foley, William S.; Almaraz, Elky; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Comparisons of zinc with cadmium in N2S2 coordination and as S-bonded adducts to tungsten carbonyls.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","143","148","10.1039/c1dt11336d","","","1.54178","CuKα","","0.1401","0.0913","","","0.2265","0.2592","","","","","","1.07","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017690","14.69","0.005","11.059","0.003","7.516","0.002","90","","110.033","0.015","90","","1147.1","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 Cd N2 S2 -","- C9 H18 Cd N2 S2 -","- C36 H72 Cd4 N8 S8 -","4","0.5","","Denny, Jason A.; Foley, William S.; Almaraz, Elky; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Comparisons of zinc with cadmium in N2S2 coordination and as S-bonded adducts to tungsten carbonyls.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","143","148","10.1039/c1dt11336d","","","1.54184","CuKα","","0.0346","0.0253","","","0.0491","0.0505","","","","","","1.012","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017691","16.1085","0.0004","14.125","0.0005","18.6374","0.0006","90","","109.369","0.001","90","","4000.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Li2 N4 P2 -","- C44 H48 Li2 N4 P2 -","- C176 H192 Li8 N16 P8 -","4","1","","Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen","Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1381","1388","10.1039/c1dt11338k","","","0.71073","MoKα","","0.0671","0.0449","","","0.1229","0.1512","","","","","","0.629","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017692","10.034","0.003","10.622","0.003","19.542","0.005","90","","100.008","0.013","90","","2051.1","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N2 Ni P -","- C22 H24 Cl N2 Ni P -","- C88 H96 Cl4 N8 Ni4 P4 -","4","1","","Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen","Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1381","1388","10.1039/c1dt11338k","","","0.71073","MoKα","","0.1238","0.0583","","","0.1052","0.124","","","","","","1.063","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017693","10.3899","0.0003","10.5707","0.0003","11.3703","0.0005","102.504","0.001","92.234","0.002","117.474","0.002","1067.67","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N2 Ni P -","- C23 H27 N2 Ni P -","- C46 H54 N4 Ni2 P2 -","2","1","","Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen","Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1381","1388","10.1039/c1dt11338k","","","0.71073","MoKα","","0.1004","0.052","","","0.1295","0.1883","","","","","","1.117","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017694","15.27","0.0002","9.276","0.0001","32.882","0.0004","90","","99.735","0.001","90","","4590.49","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N2 Ni O P -","- C25 H31.5 N2 Ni O0.25 P -","- C200 H252 N16 Ni8 O2 P8 -","8","2","","Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen","Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1381","1388","10.1039/c1dt11338k","","x-ray","0.71073","MoKα","","0.063","0.0496","","","0.1432","0.1675","","","","","","0.89","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017695","9.7598","0.0003","10.5483","0.0002","14.2416","0.0004","68.739","0.002","73.946","0.001","89.146","0.001","1307.11","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 N2 Ni P -","- C28 H37 N2 Ni P -","- C56 H74 N4 Ni2 P2 -","2","1","","Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen","Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1381","1388","10.1039/c1dt11338k","","","0.71073","MoKα","","0.0983","0.0669","","","0.1673","0.2051","","","","","","1.145","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017696","9.1844","0.0004","11.8541","0.0005","18.9047","0.001","90","","91.546","0.002","90","","2057.46","0.17","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N2 Ni P -","- C22 H24 Br N2 Ni P -","- C88 H96 Br4 N8 Ni4 P4 -","4","1","","Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen","Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1381","1388","10.1039/c1dt11338k","","","0.71073","MoKα","","0.1434","0.0758","","","0.1742","0.2308","","","","","","1.093","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017697","27.2513","0.0011","21.4772","0.0009","12.7007","0.0005","90","","103.431","0.002","90","","7230.2","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl8 F N O12 Si8 -","- C64 H68 Cl8 F N O12 Si8 -","- C256 H272 Cl32 F4 N4 O48 Si32 -","4","1","","Taylor, Peter G.; Bassindale, Alan R.; El Aziz, Youssef; Pourny, Manuel; Stevenson, Richard; Hursthouse, Michael B.; Coles, Simon J.","Further studies of fluoride ion entrapment in octasilsesquioxane cages; X-ray crystal structure studies and factors that affect their formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2048","2059","10.1039/c1dt11340b","","","0.71073","MoKα","","0.2399","0.1427","","","0.2307","0.2777","","","","","","1.073","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017698","12.6188","0.0005","12.8071","0.0005","46.5571","0.0019","90","","92.258","0.001","90","","7518.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H92 F N O20 Si8 -","- C72 H92 F N O20 Si8 -","- C288 H368 F4 N4 O80 Si32 -","4","1","","Taylor, Peter G.; Bassindale, Alan R.; El Aziz, Youssef; Pourny, Manuel; Stevenson, Richard; Hursthouse, Michael B.; Coles, Simon J.","Further studies of fluoride ion entrapment in octasilsesquioxane cages; X-ray crystal structure studies and factors that affect their formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2048","2059","10.1039/c1dt11340b","","","0.71073","MoKα","","0.1206","0.068","","","0.2001","0.2543","","","","","","1.035","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017699","13.594","0.0003","15.2028","0.0003","22.257","0.0004","86.934","0.001","85.929","0.001","75.975","0.001","4448.28","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H108 F N O12 Si8 -","- C94 H108 F N O12 Si8 -","- C188 H216 F2 N2 O24 Si16 -","2","1","","Taylor, Peter G.; Bassindale, Alan R.; El Aziz, Youssef; Pourny, Manuel; Stevenson, Richard; Hursthouse, Michael B.; Coles, Simon J.","Further studies of fluoride ion entrapment in octasilsesquioxane cages; X-ray crystal structure studies and factors that affect their formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2048","2059","10.1039/c1dt11340b","","","0.71073","MoKα","","0.1162","0.0783","","","0.1559","0.1782","","","","","","1.04","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017700","14.5495","0.0004","15.8583","0.0004","16.726","0.0004","93.175","0.001","108.861","0.001","114.591","0.001","3238.86","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H68 F25 N O12 Si8 -","- C40 H68 F25 N O12 Si8 -","- C80 H136 F50 N2 O24 Si16 -","2","1","","Taylor, Peter G.; Bassindale, Alan R.; El Aziz, Youssef; Pourny, Manuel; Stevenson, Richard; Hursthouse, Michael B.; Coles, Simon J.","Further studies of fluoride ion entrapment in octasilsesquioxane cages; X-ray crystal structure studies and factors that affect their formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2048","2059","10.1039/c1dt11340b","","","0.71073","MoKα","","0.1203","0.0717","","","0.1681","0.1942","","","","","","1.028","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017701","13.2238","0.0005","10.403","0.0003","17.1899","0.0006","90","","107.653","0.004","90","","2253.41","0.14","104","2","104","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 Fe N2 O4 -","- C16 H18 F12 Fe N2 O4 -","- C64 H72 F48 Fe4 N8 O16 -","4","1","","Barreca, Davide; Carraro, Giorgio; Devi, Anjana; Fois, Ettore; Gasparotto, Alberto; Seraglia, Roberta; Maccato, Chiara; Sada, Cinzia; Tabacchi, Gloria; Tondello, Eugenio; Venzo, Alfonso; Winter, Manuela","β-Fe2O3 nanomaterials from an iron(II) diketonate-diamine complex: a study from molecular precursor to growth process.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","149","155","10.1039/c1dt11342a","","","0.71073","MoKα","","0.0311","0.026","","","0.0627","0.0658","","","","","","1.053","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017702","3.6276","0.0007","8.4068","0.0017","10.332","0.002","90","","90","","90","","315.09","0.11","93","2","93","","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Ge3 Na P3 -","- Ge3 Na P3 -","- Ge6 Na2 P6 -","2","0.5","","Feng, Kai; Yin, Wenlong; He, Ran; Lin, Zheshuai; Jin, Shifeng; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","NaGe3P3: a new ternary germanium phosphide featuring an unusual [Ge3P7] ring.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","484","489","10.1039/c1dt11345c","","","0.71073","MoKα","","0.0583","0.0397","","","0.0739","0.0842","","","","","","1.058","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017703","15.595","0.004","15.799","0.003","30.128","0.005","90","","90","","90","","7423","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H64 Cl12 N16 O16 P4 V4 -","- C44 H64 Cl12 N16 O16 P4 V4 -","- C176 H256 Cl48 N64 O64 P16 V16 -","4","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Senapati, Tapas; Sañudo, E Carolina","Distorted cubic tetranuclear vanadium(IV) phosphonate cages: double-four-ring (D4R) containing transition metal ion phosphonate cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","799","803","10.1039/c1dt11347j","","","0.71069","MoKα","","0.0406","0.0364","","","0.082","0.0847","","","","","","1.042","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017704","14.365","0.004","12.815","0.003","30.31","0.003","90","","90.245","0.005","90","","5580","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 N8 O16 P4 V4 -","- C36 H68 N8 O16 P4 V4 -","- C144 H272 N32 O64 P16 V16 -","4","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Senapati, Tapas; Sañudo, E Carolina","Distorted cubic tetranuclear vanadium(IV) phosphonate cages: double-four-ring (D4R) containing transition metal ion phosphonate cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","799","803","10.1039/c1dt11347j","","","0.71069","MoKα","","0.0798","0.0513","","","0.1205","0.1433","","","","","","1.061","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017705","12.5554","0.0004","12.9516","0.0005","13.0189","0.0005","81.649","0.002","88.148","0.002","63.361","0.002","1870.96","0.12","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H35 Cl4 Co N3 O2 P2 Pd -","- C34 H35 Cl4 Co N3 O2 P2 Pd -","- C68 H70 Cl8 Co2 N6 O4 P4 Pd2 -","2","1","","Zhang, Shuanming; Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre","A phosphino-oxazoline ligand as a P,N-bridge in palladium/cobalt or P,N-chelate in nickel complexes: catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","379","386","10.1039/c1dt11352f","","x-ray","0.71073","MoKα","","0.0728","0.0401","","","0.0898","0.0999","","","","","","1.012","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017706","8.2701","0.0002","15.3634","0.0007","24.168","0.001","90","","90","","90","","3070.7","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cl2 N2 Ni O2 P2 -","- C32 H32 Cl2 N2 Ni O2 P2 -","- C128 H128 Cl8 N8 Ni4 O8 P8 -","4","0.5","","Zhang, Shuanming; Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre","A phosphino-oxazoline ligand as a P,N-bridge in palladium/cobalt or P,N-chelate in nickel complexes: catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","379","386","10.1039/c1dt11352f","","x-ray","0.71073","MoKα","","0.0958","0.044","","","0.1092","0.1487","","","","","","1.065","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017707","9.7779","0.0006","11.0881","0.0005","18.3495","0.0011","88.468","0.004","83.143","0.003","78.299","0.004","1934.14","0.19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H34 Cl8 N2 Ni O2 P2 -","- C34 H34 Cl8 N2 Ni O2 P2 -","- C68 H68 Cl16 N4 Ni2 O4 P4 -","2","1","","Zhang, Shuanming; Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre","A phosphino-oxazoline ligand as a P,N-bridge in palladium/cobalt or P,N-chelate in nickel complexes: catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","379","386","10.1039/c1dt11352f","","x-ray","0.71073","MoKα","","0.1823","0.1615","","","0.3896","0.3959","","","","","","1.131","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017708","10.2269","0.0004","10.5261","0.0004","13.0935","0.0006","66.761","0.002","69.761","0.002","80.429","0.002","1214.46","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cl14 N2 Ni O4 P2 -","- C36 H36 Cl14 N2 Ni O4 P2 -","- C36 H36 Cl14 N2 Ni O4 P2 -","1","0.5","","Zhang, Shuanming; Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre","A phosphino-oxazoline ligand as a P,N-bridge in palladium/cobalt or P,N-chelate in nickel complexes: catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","379","386","10.1039/c1dt11352f","","","0.71073","MoKα","","0.0664","0.0475","","","0.1153","0.1279","","","","","","1.06","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017709","16.3495","0.0006","15.8744","0.0004","13.4608","0.0004","90","","102.229","0.003","90","","3414.32","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 F12 N10 P2 Ru -","- C25 H26 F12 N10 P2 Ru -","- C100 H104 F48 N40 P8 Ru4 -","4","0.5","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.0675","0.0539","","","0.1526","0.1619","","","","","","1.055","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017710","8.1071","0.0003","17.3056","0.0006","19.5857","0.0006","65.606","0.003","87.553","0.003","84.694","0.003","2491.78","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46.5 Cl2 F12 N7.5 P2 Ru2 -","- C40 H46.5 Cl2 F12 N7.5 P2 Ru2 -","- C80 H93 Cl4 F24 N15 P4 Ru4 -","2","1","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.0868","0.051","","","0.1353","0.1545","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017711","21.5296","0.0007","21.6088","0.0006","24.4791","0.0009","90","","108.963","0.004","90","","10770.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H44 F12 N6 P4 Ru -","- C53 H44 F12 N6 P4 Ru -","- C424 H352 F96 N48 P32 Ru8 -","8","1","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.0951","0.0602","","","0.1276","0.1562","","","","","","1.087","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017712","33.4226","0.0018","11.4357","0.0003","24.2032","0.0013","90","","127.318","0.008","90","","7356.9","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H53 F24 N19 P4 Ru2 -","- C64 H53 F24 N19 P4 Ru2 -","- C256 H212 F96 N76 P16 Ru8 -","4","0.5","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.0478","0.0353","","","0.0836","0.0921","","","","","","1.049","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017713","12.7209","0.0005","15.8088","0.0006","19.1257","0.0008","86.483","0.003","81.993","0.003","84.403","0.003","3786.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 F12 N9 O0.5 P2 Ru -","- C33 H30 F12 N9 O0.5 P2 Ru -","- C132 H120 F48 N36 O2 P8 Ru4 -","4","2","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.076","0.0488","","","0.1178","0.1373","","","","","","1.021","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017714","11.7158","0.0007","11.7418","0.0009","14.8628","0.0011","107.818","0.007","90.493","0.006","96.708","0.006","1931.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H26.5 F12 N9.5 O P2 Ru -","- C33 H26.5 F12 N9.5 O P2 Ru -","- C66 H53 F24 N19 O2 P4 Ru2 -","2","1","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.0817","0.0627","","","0.1702","0.1911","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017715","12.2411","0.0003","15.6921","0.0007","16.1366","0.0008","66.734","0.004","77.441","0.003","77.248","0.003","2747.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H50 F12 N10 P4 Ru -","- C51 H50 F12 N10 P4 Ru -","- C102 H100 F24 N20 P8 Ru2 -","2","1","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.0596","0.0451","","","0.1147","0.1262","","","","","","1.07","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017716","12.0111","0.0005","12.4027","0.0004","13.1637","0.0004","90.6","0.003","93.233","0.003","113.242","0.004","1797.84","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H36 F12 N12 P2 Ru -","- C25 H36 F12 N12 P2 Ru -","- C50 H72 F24 N24 P4 Ru2 -","2","1","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.0612","0.0505","","","0.1342","0.1434","","","","","","1.055","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017717","12.3876","0.0006","12.7519","0.0005","13.4337","0.0005","90.291","0.003","93.539","0.003","116.079","0.004","1901.15","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 F12 N12 P2 Ru -","- C27 H40 F12 N12 P2 Ru -","- C54 H80 F24 N24 P4 Ru2 -","2","1","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.0735","0.0572","","","0.152","0.1692","","","","","","1.036","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017718","8.5759","0.0003","9.1184","0.0003","21.2088","0.0007","95.762","0.003","93.358","0.003","94.656","0.003","1640.94","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 F12 N10 P2 Ru -","- C26 H28 F12 N10 P2 Ru -","- C52 H56 F24 N20 P4 Ru2 -","2","1","","Liu, Xiaolong; Chen, Wanzhi","Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","599","608","10.1039/c1dt11356a","","","0.71073","MoKα","","0.055","0.0474","","","0.117","0.1232","","","","","","1.044","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017719","13.12","0.0012","11.311","0.001","11.8689","0.001","90","","97.208","0.005","90","","1747.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl2 Fe N O Pt S -","- C14 H21 Cl2 Fe N O Pt S -","- C56 H84 Cl8 Fe4 N4 O4 Pt4 S4 -","4","1","","Nieto, Daniel; González-Vadillo, Ana M; Bruña, Sonia; Pastor, César J; Ríos-Luci, Carla; León, Leticia G; Padrón, José M; Navarro-Ranninger, Carmen; Cuadrado, Isabel","Heterometallic platinum(II) compounds with β-aminoethylferrocenes: synthesis, electrochemical behaviour and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","432","441","10.1039/c1dt11358e","","","1.54178","CuKα","","0.0486","0.0431","","","0.0984","0.1026","","","","","","1.048","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017720","24.571","0.006","12.865","0.002","29.199","0.006","90","","99.084","0.007","90","","9114","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H38 Cl5 F6 Ir N7 O3 P -","- C41 H35 F6 Ir N7 O3 P -","- C328 H280 F48 Ir8 N56 O24 P8 -","8","1","","Castillo, Carmen E.; Davies, David L.; Klair, Anne-K Duhme; Singh, Kuldip; Singh, Shalini","Luminescent iridium complexes for detection of molybdate.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","628","635","10.1039/c1dt11360g","","","0.71073","MoKα","","0.0653","0.0433","","","0.0846","0.0888","","","","","","0.856","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017721","13.3741","0.0019","6.9121","0.001","14.204","0.002","90","","104.985","0.002","90","","1268.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cu2 N2 O12 -","- C24 H26 Cu2 N2 O12 -","- C48 H52 Cu4 N4 O24 -","2","0.5","","Zhang, Zhijun; Li, Xi; Wang, Chenggang; Zhang, Chaocan; Liu, Peng; Fang, Tingting; Xiong, Yan; Xu, Wenjing","A novel dinuclear Schiff-base copper(II) complex modified electrode for ascorbic acid catalytic oxidation and determination.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1252","1258","10.1039/c1dt11370d","","","0.71073","MoKα","","0.0651","0.0461","","","0.0854","0.0924","","","","","","0.956","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017722","18.3583","0.0002","19.4978","0.0002","22.7303","0.0003","90","","90","","90","","8136.23","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cr F20 N O -","- C40 H36 Cr F20 N O -","- C320 H288 Cr8 F160 N8 O8 -","8","1","","García-Monforte, M Angeles; Alonso, Pablo J.; Arauzo, Ana B.; Martín, Antonio; Menjón, Babil; Rillo, Conrado","A square-pyramidal organochromium(V) compound.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1297","1303","10.1039/c1dt11376c","","","0.71073","MoKα","","0.0788","0.0486","","","0.137","0.1479","","","","","","1.059","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017723","6.9128","0.0004","9.2461","0.0006","10.6609","0.0007","108.162","0.005","91.352","0.005","103.857","0.005","625.04","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cd3 N10 S6 -","- C14 H8 Cd3 N10 S6 -","- C14 H8 Cd3 N10 S6 -","1","0.5","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.0228","0.019","","","0.0416","0.0426","","","","","","1.077","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017724","5.6358","0.0009","12.4946","0.0015","7.1516","0.0013","90","","105.634","0.014","90","","484.96","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cd N4 S2 -","- C6 H4 Cd N4 S2 -","- C12 H8 Cd2 N8 S4 -","2","0.5","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.0526","0.0355","","","0.0595","0.0636","","","","","","1.065","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017725","11.2398","0.0006","14.8326","0.0007","7.3449","0.0004","90","","90","","90","","1224.51","0.11","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H12 Cd2 N10 S4 -","- C16 H12 Cd2 N10 S4 -","- C32 H24 Cd4 N20 S8 -","2","0.5","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.0524","0.0414","","","0.0625","0.0647","","","","","","1.148","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017726","10.0015","0.0006","15.668","0.0007","8.6696","0.0005","90","","90","","90","","1358.56","0.13","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C10 H8 Cd N6 S2 -","- C10 H8 Cd N6 S2 -","- C40 H32 Cd4 N24 S8 -","4","","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.067","0.0485","","","0.0843","0.0895","","","","","","1.213","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017727","8.6778","0.0003","16.7503","0.0005","29.2877","0.0008","90","","92.158","0.002","90","","4254.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[bis(selenocyanato-N)-bis(selenocyanato-Se)-(μ2-pyrimidine-N,N')cadmium(II)]","","- C12 H8 Cd2 N8 Se4 -","- C12 H8 Cd2 N8 Se4 -","- C96 H64 Cd16 N64 Se32 -","8","1","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.0371","0.0318","","","0.0644","0.0663","","","","","","1.11","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017728","8.566","0.002","6.022","0.001","13.829","0.004","90","","92.07","0.03","90","","712.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[bis(μ2-selenocyanato-N)-bis(μ2-selenocyanato-Se)-bis(pyridine-N)cadmium(II)]","","- C10 H8 Cd N6 Se2 -","- C10 H8 Cd N6 Se2 -","- C20 H16 Cd2 N12 Se4 -","2","0.5","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.0374","0.0272","","","0.0635","0.0666","","","","","","1.047","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017729","9.629","0.005","8.24","0.002","11.804","0.002","90","","109.03","0.02","90","","885.4","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trans-bis[1-(2-amino-ethyl)-piperidine]dinitro-nickel(II)","","- C14 H32 N6 Ni O4 -","- C14 H32 N6 Ni O4 -","- C28 H64 N12 Ni2 O8 -","2","0.5","","Brayshaw, Simon K.; Easun, Timothy L.; George, Michael W.; Griffin, Alexandra M. E.; Johnson, Andrew L.; Raithby, Paul R.; Savarese, Teresa L.; Schiffers, Stefanie; Warren, John E.; Warren, Mark R.; Teat, Simon J.","Photocrystallographic identification of metastable nitrito linkage isomers in a series of nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","90","97","10.1039/c1dt11379h","","","0.7749","MoKa","","0.0481","0.0434","","","0.1151","0.1178","","","","","","1.109","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017730","9.672","0.004","8.366","0.004","11.903","0.005","90","","108.936","0.006","90","","911","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 N6 Ni O4 -","- C14 H32 N6 Ni O4 -","- C28 H64 N12 Ni2 O8 -","2","0.5","","Brayshaw, Simon K.; Easun, Timothy L.; George, Michael W.; Griffin, Alexandra M. E.; Johnson, Andrew L.; Raithby, Paul R.; Savarese, Teresa L.; Schiffers, Stefanie; Warren, John E.; Warren, Mark R.; Teat, Simon J.","Photocrystallographic identification of metastable nitrito linkage isomers in a series of nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","90","97","10.1039/c1dt11379h","","","0.7749","","","0.0567","0.0459","","","0.1066","0.1121","","","","","","1.095","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017731","7.172","0.005","7.988","0.005","8.33","0.005","94.306","0.005","112.642","0.005","100.496","0.005","427.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 N6 Ni O6 -","- C12 H28 N6 Ni O6 -","- C12 H28 N6 Ni O6 -","1","0.5","","Brayshaw, Simon K.; Easun, Timothy L.; George, Michael W.; Griffin, Alexandra M. E.; Johnson, Andrew L.; Raithby, Paul R.; Savarese, Teresa L.; Schiffers, Stefanie; Warren, John E.; Warren, Mark R.; Teat, Simon J.","Photocrystallographic identification of metastable nitrito linkage isomers in a series of nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","90","97","10.1039/c1dt11379h","","","0.6896","","","0.0288","0.0278","","","0.0722","0.0732","","","","","","1.039","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017732","7.2136","0.0013","7.9994","0.0014","8.3","0.0014","94.581","0.002","111.364","0.002","101.278","0.002","431.39","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 N6 Ni O6 -","- C12 H28 N6.008 Ni O6.016 -","- C12 H28 N6.008 Ni O6.016 -","1","0.5","","Brayshaw, Simon K.; Easun, Timothy L.; George, Michael W.; Griffin, Alexandra M. E.; Johnson, Andrew L.; Raithby, Paul R.; Savarese, Teresa L.; Schiffers, Stefanie; Warren, John E.; Warren, Mark R.; Teat, Simon J.","Photocrystallographic identification of metastable nitrito linkage isomers in a series of nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","90","97","10.1039/c1dt11379h","","","0.6896","","","0.0467","0.0439","","","0.1193","0.1179","","","","","","1.141","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017733","8.6169","0.0005","8.549","0.0005","11.568","0.0007","90","","104.008","0.001","90","","826.83","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 N6 Ni O4 -","- C12 H28 N6 Ni O4 -","- C24 H56 N12 Ni2 O8 -","2","0.5","","Brayshaw, Simon K.; Easun, Timothy L.; George, Michael W.; Griffin, Alexandra M. E.; Johnson, Andrew L.; Raithby, Paul R.; Savarese, Teresa L.; Schiffers, Stefanie; Warren, John E.; Warren, Mark R.; Teat, Simon J.","Photocrystallographic identification of metastable nitrito linkage isomers in a series of nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","90","97","10.1039/c1dt11379h","","","0.6896","","","0.032","0.0285","","","0.0729","0.0756","","","","","","1.046","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017734","8.349","0.002","8.646","0.002","11.836","0.003","90","","102.692","0.003","90","","833.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 N6 Ni O4 -","- C12 H28 N6.002 Ni O4.004 -","- C24 H56 N12.004 Ni2 O8.008 -","2","0.5","","Brayshaw, Simon K.; Easun, Timothy L.; George, Michael W.; Griffin, Alexandra M. E.; Johnson, Andrew L.; Raithby, Paul R.; Savarese, Teresa L.; Schiffers, Stefanie; Warren, John E.; Warren, Mark R.; Teat, Simon J.","Photocrystallographic identification of metastable nitrito linkage isomers in a series of nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","90","97","10.1039/c1dt11379h","","","0.7749","Synchrotron","","0.1055","0.0613","","","0.1708","0.1967","","","","","","1.124","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017735","10.0587","0.0006","12.0685","0.0007","13.6716","0.0008","107.492","0.001","93.94","0.001","103.944","0.001","1518.29","0.16","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","mue2-eta2-eta2[(mue-eta1-eta1-Z,Z-2,3,5,6-tetrafluoro1,6-diisocyano- hexa-1,5-dien-3-in)-bis(pentacarbonylchromium)]dicobalt","","- C24 Co2 Cr2 F4 N2 O16 -","- C24 Co2 Cr2 F4 N2 O16 -","- C48 Co4 Cr4 F8 N4 O32 -","2","1","","Mujkic, Monika; Lentz, Dieter","Syntheses of highly unsaturated isocyanides via organometallic pathways.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","839","849","10.1039/c1dt11382h","","","0.71073","MoKα","","0.0357","0.0288","","","0.078","0.0821","","","","","","1.033","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017736","13.656","0.001","12.1796","0.0009","36.97","0.003","90","","90","","90","","6149","0.8","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","mue2-eta2-eta2[(mue-eta1-eta1-E,Z-2,3,5,6-tetrafluoro1,6-diisocyano- hexa-1,5-dien-3-in)-bis(pentacarbonylchromium)]dicobalt","","- C24 Co2 Cr2 F4 N2 O16 -","- C24 Co2 Cr2 F4 N2 O16 -","- C192 Co16 Cr16 F32 N16 O128 -","8","1","","Mujkic, Monika; Lentz, Dieter","Syntheses of highly unsaturated isocyanides via organometallic pathways.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","839","849","10.1039/c1dt11382h","","","0.71073","MoKα","","0.0987","0.0387","","","0.0606","0.0679","","","","","","1.034","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017737","6.1314","0.0018","11.701","0.002","23.613","0.006","90","","93.923","0.005","90","","1690.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cr F2 N O5 Si -","- C13 H9 Cr F2 N O5 Si -","- C52 H36 Cr4 F8 N4 O20 Si4 -","4","1","","Mujkic, Monika; Lentz, Dieter","Syntheses of highly unsaturated isocyanides via organometallic pathways.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","839","849","10.1039/c1dt11382h","","","0.71073","MoKα","","0.07","0.0463","","","0.1094","0.1219","","","","","","1.054","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017738","21.85","0.005","6.184","0.002","11.752","0.004","90","","98.566","0.01","90","","1570.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 Cr F7 N O5 -","- C14 Cr F7 N O5 -","- C56 Cr4 F28 N4 O20 -","4","1","","Mujkic, Monika; Lentz, Dieter","Syntheses of highly unsaturated isocyanides via organometallic pathways.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","839","849","10.1039/c1dt11382h","","","0.71073","MoKα","","0.0634","0.0405","","","0.0966","0.108","","","","","","1.021","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017739","13.994","0.003","11.837","0.003","24.944","0.006","90","","90","","90","","4131.9","1.7","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 Co4 Cr2 F4 N2 O22 -","- C32 Co4 Cr2 F4 N2 O22 -","- C128 Co16 Cr8 F16 N8 O88 -","4","0.5","","Mujkic, Monika; Lentz, Dieter","Syntheses of highly unsaturated isocyanides via organometallic pathways.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","839","849","10.1039/c1dt11382h","","","0.71073","MoKα","","0.0772","0.0666","","","0.172","0.1783","","","","","","1.224","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017740","28.632","0.004","31.254","0.005","16.142","0.002","90","","90","","90","","14445","4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C90 H144 Cl14 Er8 N4 O13 -","- C90 H144 Cl14 Er8 N4 O13 -","- C360 H576 Cl56 Er32 N16 O52 -","4","","","Zhang, Jie; Zhang, Zhengxing; Chen, Zhenxia; Zhou, Xigeng","Oxidation and coupling of β-diketiminate ligand in lanthanide complexes: novel eight-nuclear lanthanide clusters with μ-, μ3-Cl, and μ4-O bridge.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","357","359","10.1039/c1dt11383f","","","0.71073","MoKα","","0.0417","0.0325","","","0.0717","0.0749","","","","","","0.962","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017741","28.668","0.006","31.282","0.006","16.199","0.003","90","","90","","90","","14527","5","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C90 H144 Cl14 Dy8 N4 O13 -","- C90 H144 Cl14 Dy8 N4 O13 -","- C360 H576 Cl56 Dy32 N16 O52 -","4","","","Zhang, Jie; Zhang, Zhengxing; Chen, Zhenxia; Zhou, Xigeng","Oxidation and coupling of β-diketiminate ligand in lanthanide complexes: novel eight-nuclear lanthanide clusters with μ-, μ3-Cl, and μ4-O bridge.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","357","359","10.1039/c1dt11383f","","","0.71073","MoKα","","0.08","0.049","","","0.1078","0.1174","","","","","","0.905","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017742","12.937","0.004","13.424","0.004","17.464","0.006","86.122","0.005","75.906","0.005","71.96","0.005","2796.9","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C61 H89 N4 -","- C61 H89 N4 -","- C122 H178 N8 -","2","1","","Zhang, Jie; Zhang, Zhengxing; Chen, Zhenxia; Zhou, Xigeng","Oxidation and coupling of β-diketiminate ligand in lanthanide complexes: novel eight-nuclear lanthanide clusters with μ-, μ3-Cl, and μ4-O bridge.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","357","359","10.1039/c1dt11383f","","","0.71073","MoKα","","0.1323","0.0555","","","0.1372","0.1605","","","","","","0.819","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017743","9.177","0.005","10.603","0.005","15.394","0.008","85.265","0.007","73.552","0.007","66.988","0.006","1321.6","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 N2 O -","- C29 H40 N2 O -","- C58 H80 N4 O2 -","2","1","","Zhang, Jie; Zhang, Zhengxing; Chen, Zhenxia; Zhou, Xigeng","Oxidation and coupling of β-diketiminate ligand in lanthanide complexes: novel eight-nuclear lanthanide clusters with μ-, μ3-Cl, and μ4-O bridge.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","357","359","10.1039/c1dt11383f","","","0.71073","MoKα","","0.1362","0.0932","","","0.2381","0.2682","","","","","","0.929","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017744","3.7456","0.0004","11.8913","0.0012","13.0276","0.0013","90","","97.809","0.001","90","","574.87","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N5 -","- C5 H5 N5 -","- C20 H20 N20 -","4","1","","Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, José A; Castillo, Oscar; Lezama, Luis; Salas, Juan M.","Insights on the binding ability of a new adenine analog: 7-amine-1,2,4-triazolo[1,5-a]pyrimidine. Synthesis and magnetic study of the first copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1755","1764","10.1039/c1dt11385b","","","0.71073","MoKα","","0.0454","0.0402","","","0.0976","0.1038","","","","","","1.088","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017745","6.927","0.005","7.603","0.005","13.009","0.005","87.03","0.005","81.785","0.005","71.481","0.005","643","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H13 Cu N5 O7 -","- C8 H13 Cu N5 O7 -","- C16 H26 Cu2 N10 O14 -","2","1","","Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, José A; Castillo, Oscar; Lezama, Luis; Salas, Juan M.","Insights on the binding ability of a new adenine analog: 7-amine-1,2,4-triazolo[1,5-a]pyrimidine. Synthesis and magnetic study of the first copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1755","1764","10.1039/c1dt11385b","","","0.71069","MoKα","","0.0321","0.0306","","","0.0821","0.0844","","","","","","1.112","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017746","18.291","0.003","18.838","0.003","12.285","0.002","90","","90.61","0.003","90","","4232.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl4 Cu2 N20 O21 -","- C20 H24 Cl4 Cu2 N20 O21 -","- C80 H96 Cl16 Cu8 N80 O84 -","4","0.5","","Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, José A; Castillo, Oscar; Lezama, Luis; Salas, Juan M.","Insights on the binding ability of a new adenine analog: 7-amine-1,2,4-triazolo[1,5-a]pyrimidine. Synthesis and magnetic study of the first copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1755","1764","10.1039/c1dt11385b","","","0.71069","MoKα","","0.1352","0.0741","","","0.1835","0.2273","","","","","","1.018","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017747","25.0574","0.001","6.8244","0.0003","24.2133","0.0009","90","","116.8","0.005","90","","3695.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cu N10 O7 -","- C12 H10 Cu N10 O7 -","- C96 H80 Cu8 N80 O56 -","8","1","","Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, José A; Castillo, Oscar; Lezama, Luis; Salas, Juan M.","Insights on the binding ability of a new adenine analog: 7-amine-1,2,4-triazolo[1,5-a]pyrimidine. Synthesis and magnetic study of the first copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1755","1764","10.1039/c1dt11385b","","","0.71069","MoKα","","0.0608","0.0394","","","0.1083","0.1131","","","","","","1.002","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017748","7.2299","0.0008","11.3987","0.0012","12.7792","0.0012","90","","117.793","0.005","90","","931.66","0.17","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H18 Cu N10 O6 -","- C14 H18 Cu N10 O6 -","- C28 H36 Cu2 N20 O12 -","2","0.5","","Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, José A; Castillo, Oscar; Lezama, Luis; Salas, Juan M.","Insights on the binding ability of a new adenine analog: 7-amine-1,2,4-triazolo[1,5-a]pyrimidine. Synthesis and magnetic study of the first copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1755","1764","10.1039/c1dt11385b","","","0.71073","MoKα","","0.1285","0.0729","","","0.1593","0.1872","","","","","","1.055","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017749","13.956","0.002","23.659","0.004","15.888","0.003","90","","107.112","0.01","90","","5013.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 N6 O12 Zn3 -","- C48 H56 N6 O12 Zn3 -","- C192 H224 N24 O48 Zn12 -","4","0.5","","Sarkar, Avijit; Ghosh, Aloke Kumar; Bertolasi, Valerio; Ray, Debashis","Coordination induced fluorescence enhancement and construction of a Zn(3) constellation through hydrolysis of ligand imine arms.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1889","1896","10.1039/c1dt11390a","","","0.71073","MoKα","","0.1173","0.071","","","0.1301","0.1457","","","","","","1.079","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017750","25.197","0.004","11.2209","0.0015","16.045","0.002","90","","121.446","0.004","90","","3870.2","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 Cl2 N4 O16 Zn -","- C30 H44 Cl2 N4 O16 Zn -","- C120 H176 Cl8 N16 O64 Zn4 -","4","0.5","","Sarkar, Avijit; Ghosh, Aloke Kumar; Bertolasi, Valerio; Ray, Debashis","Coordination induced fluorescence enhancement and construction of a Zn(3) constellation through hydrolysis of ligand imine arms.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1889","1896","10.1039/c1dt11390a","","","0.71073","MoKα","","0.1064","0.0707","","","0.1883","0.2147","","","","","","1.037","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7017751","9.871","0.0002","10.6978","0.0002","10.8596","0.0002","72.57","0.001","80.843","0.001","69.05","0.001","1020.03","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H29 Cl2 Co N12 O10.5 S3 -","- C36 H29 Cl2 Co N12 O10.5 S3 -","- C36 H29 Cl2 Co N12 O10.5 S3 -","1","0.5","","Klingele, Julia; Kaase, Dominic; Klingele, Marco H.; Lach, Jochen","Synthesis and mononuclear complexes of the bis-bidentate ligand 2,5-di(2-pyridyl)-1,3,4-thiadiazole (dptd): spin crossover in [Fe(II)(dptd)2(NCSe)2] and [Fe(II)(dptd)2(NCBH3)2]·H2O.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1397","1406","10.1039/c1dt11396h","","","0.71073","MoKα","","0.0609","0.0552","","","0.1425","0.147","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017752","7.4967","0.0015","9.5476","0.0019","12.647","0.003","89.64","0.03","73.52","0.03","76.81","0.03","843.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27.5 H22 Cl3 Fe N10 O1.5 S2 Se2 -","- C27.5 H22 Cl3 Fe N10 O1.5 S2 Se2 -","- C27.5 H22 Cl3 Fe N10 O1.5 S2 Se2 -","1","0.5","","Klingele, Julia; Kaase, Dominic; Klingele, Marco H.; Lach, Jochen","Synthesis and mononuclear complexes of the bis-bidentate ligand 2,5-di(2-pyridyl)-1,3,4-thiadiazole (dptd): spin crossover in [Fe(II)(dptd)2(NCSe)2] and [Fe(II)(dptd)2(NCBH3)2]·H2O.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1397","1406","10.1039/c1dt11396h","","","0.71073","MoKα","","0.0875","0.0512","","","0.1049","0.1302","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017753","7.5525","0.0015","9.7374","0.0019","12.919","0.003","76.17","0.03","73.65","0.03","67.19","0.03","831.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H26 B2 Cl2 Fe N10 O S2 -","- C27 H26 B2 Cl2 Fe N10 O S2 -","- C27 H26 B2 Cl2 Fe N10 O S2 -","1","0.5","","Klingele, Julia; Kaase, Dominic; Klingele, Marco H.; Lach, Jochen","Synthesis and mononuclear complexes of the bis-bidentate ligand 2,5-di(2-pyridyl)-1,3,4-thiadiazole (dptd): spin crossover in [Fe(II)(dptd)2(NCSe)2] and [Fe(II)(dptd)2(NCBH3)2]·H2O.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1397","1406","10.1039/c1dt11396h","","","0.71073","MoKα","","0.1107","0.0747","","","0.2058","0.2346","","","","","","1.077","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017754","12.0625","0.0002","17.9112","0.0003","24.7513","0.0004","90","","92.954","0.001","90","","5340.51","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H36 B2 Fe N20 O3 S3 -","- C47 H36.002 B2 Fe N20 O3 S3 -","- C188 H144.008 B8 Fe4 N80 O12 S12 -","4","1","","Klingele, Julia; Kaase, Dominic; Klingele, Marco H.; Lach, Jochen","Synthesis and mononuclear complexes of the bis-bidentate ligand 2,5-di(2-pyridyl)-1,3,4-thiadiazole (dptd): spin crossover in [Fe(II)(dptd)2(NCSe)2] and [Fe(II)(dptd)2(NCBH3)2]·H2O.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1397","1406","10.1039/c1dt11396h","","","0.71073","MoKα","","0.1043","0.0571","","","0.1277","0.1495","","","","","","1.015","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017755","12.0592","0.0003","14.1817","0.0003","14.9586","0.0003","87.863","0.001","84.648","0.001","72.495","0.001","2429","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78.5 H55 Cl5 F12 Fe2 N24 O13 S10 -","- C78.5 H55 Cl5 F12 Fe2 N24 O13 S10 -","- C78.5 H55 Cl5 F12 Fe2 N24 O13 S10 -","1","0.5","","Klingele, Julia; Kaase, Dominic; Klingele, Marco H.; Lach, Jochen","Synthesis and mononuclear complexes of the bis-bidentate ligand 2,5-di(2-pyridyl)-1,3,4-thiadiazole (dptd): spin crossover in [Fe(II)(dptd)2(NCSe)2] and [Fe(II)(dptd)2(NCBH3)2]·H2O.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1397","1406","10.1039/c1dt11396h","","","0.71073","MoKα","","0.077","0.0497","","","0.114","0.1258","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017756","8.8258","0.0007","9.5333","0.0009","9.6104","0.0008","87.171","0.006","88.589","0.006","74.33","0.005","777.55","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cl2 Co N8 O10 S2 -","- C26 H24 Cl2 Co N8 O10 S2 -","- C26 H24 Cl2 Co N8 O10 S2 -","1","0.5","","Klingele, Julia; Kaase, Dominic; Klingele, Marco H.; Lach, Jochen","Synthesis and mononuclear complexes of the bis-bidentate ligand 2,5-di(2-pyridyl)-1,3,4-thiadiazole (dptd): spin crossover in [Fe(II)(dptd)2(NCSe)2] and [Fe(II)(dptd)2(NCBH3)2]·H2O.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1397","1406","10.1039/c1dt11396h","","","0.71073","MoKα","","0.1152","0.0576","","","0.1233","0.1595","","","","","","1.074","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017757","8.785","0.0002","9.4845","0.0002","9.6781","0.0002","87.247","0.001","88.336","0.001","73.698","0.001","772.98","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cl2 N8 Ni O10 S2 -","- C26 H24 Cl2 N8 Ni O10 S2 -","- C26 H24 Cl2 N8 Ni O10 S2 -","1","0.5","","Klingele, Julia; Kaase, Dominic; Klingele, Marco H.; Lach, Jochen","Synthesis and mononuclear complexes of the bis-bidentate ligand 2,5-di(2-pyridyl)-1,3,4-thiadiazole (dptd): spin crossover in [Fe(II)(dptd)2(NCSe)2] and [Fe(II)(dptd)2(NCBH3)2]·H2O.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1397","1406","10.1039/c1dt11396h","","","0.71073","MoKα","","0.0507","0.0359","","","0.0874","0.0942","","","","","","1.069","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017758","9.0588","0.0008","10.9214","0.0008","14.2715","0.0013","98.002","0.005","91.508","0.005","106.256","0.005","1339.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Gd N4 O7 -","- C27 H25 Gd N4 O7 -","- C54 H50 Gd2 N8 O14 -","2","1","","Hussain, Akhtar; Gadadhar, Sudarshan; Goswami, Tridib K.; Karande, Anjali A.; Chakravarty, Akhil R.","Photo-induced DNA cleavage activity and remarkable photocytotoxicity of lanthanide(III) complexes of a polypyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","885","895","10.1039/c1dt11400j","","","0.71073","MoKα","","0.0797","0.0477","","","0.1002","0.1096","","","","","","1.021","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017759","11.6635","0.0004","14.7148","0.0005","17.9725","0.0009","71.402","0.001","88.945","0.002","87.468","0.001","2920.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl Fe N6 O6 -","- C28 H24 Cl Fe N6 O6 -","- C112 H96 Cl4 Fe4 N24 O24 -","4","2","","Shongwe, Musa S.; Al-Rahbi, Sumaiya H; Al-Azani, Mariam A; Al-Muharbi, Abdulaziz A; Al-Mjeni, Faizah; Matoga, Dariusz; Gismelseed, Abbasher; Al-Omari, Imaddin A; Yousif, Ali; Adams, Harry; Morris, Michael J.; Mikuriya, Masahiro","Coordination versatility of tridentate pyridyl aroylhydrazones towards iron: tracking down the elusive aroylhydrazono-based ferric spin-crossover molecular materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2500","2514","10.1039/c1dt11407g","","","0.71073","MoKα","","0.1417","0.0896","","","0.2702","0.3022","","","","","","1.012","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017760","8.2008","0.0018","8.5307","0.0018","10.512","0.002","91.866","0.017","91.018","0.017","115.73","0.02","661.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Pd -","- C10 H8 Cl4 N2 Pd -","- C20 H16 Cl8 N4 Pd2 -","2","1","","Krogul, Agnieszka; Cedrowski, Jakub; Wiktorska, Katarzyna; Ozimiński, Wojciech P; Skupińska, Jadwiga; Litwinienko, Grzegorz","Crystal structure, electronic properties and cytotoxic activity of palladium chloride complexes with monosubstituted pyridines.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","658","666","10.1039/c1dt11412c","","","0.71073","MoKα","","0.0561","0.0337","","","0.0712","0.0761","","","","","","1.053","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017761","5.7438","0.0005","7.288","0.0008","8.4654","0.0009","69.081","0.01","79.744","0.008","83.763","0.008","325.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 Pd -","- C12 H14 Cl2 N2 Pd -","- C12 H14 Cl2 N2 Pd -","1","0.5","","Krogul, Agnieszka; Cedrowski, Jakub; Wiktorska, Katarzyna; Ozimiński, Wojciech P; Skupińska, Jadwiga; Litwinienko, Grzegorz","Crystal structure, electronic properties and cytotoxic activity of palladium chloride complexes with monosubstituted pyridines.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","658","666","10.1039/c1dt11412c","","","0.71073","MoKα","","0.0134","0.0127","","","0.0336","0.0337","","","","","","1.086","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017762","10.4617","0.0005","3.9801","0.0002","15.9063","0.0009","90","","98.734","0.004","90","","654.64","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl2 N2 Pd -","- C12 H14 Cl2 N2 Pd -","- C24 H28 Cl4 N4 Pd2 -","2","0.5","","Krogul, Agnieszka; Cedrowski, Jakub; Wiktorska, Katarzyna; Ozimiński, Wojciech P; Skupińska, Jadwiga; Litwinienko, Grzegorz","Crystal structure, electronic properties and cytotoxic activity of palladium chloride complexes with monosubstituted pyridines.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","658","666","10.1039/c1dt11412c","","","0.71073","MoKα","","0.0186","0.014","","","0.0338","0.0342","","","","","","0.965","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017763","21.3807","0.0009","15.2965","0.0007","22.8517","0.001","90","","90.979","0.001","90","","7472.6","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H79 Cl N12 O56 Si6 V17 -","- C18 H24 Cl N12 O56 Si6 V17 -","- C72 H96 Cl4 N48 O224 Si24 V68 -","4","0.5","","Gao, Yuanzhe; Xu, Yanqing; Cao, Yu; Hu, Changwen","Introducing organosilicone source into the synthetic system of polyoxovanadates: two novel {V15Si6O48}-based extended chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","567","571","10.1039/c1dt11417d","","","0.71073","MoKα","","0.0907","0.0605","","","0.1634","0.1932","","","","","","1.09","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017764","15.0838","0.0007","22.2706","0.0011","24.569","0.001","90","","122.54","0.002","90","","6957.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H80 Co N10 O58 Si6 V15 -","- C15 H28 Co N10 O58 Si6 V15 -","- C60 H112 Co4 N40 O232 Si24 V60 -","4","1","","Gao, Yuanzhe; Xu, Yanqing; Cao, Yu; Hu, Changwen","Introducing organosilicone source into the synthetic system of polyoxovanadates: two novel {V15Si6O48}-based extended chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","567","571","10.1039/c1dt11417d","","","0.71073","MoKα","","0.1029","0.0713","","","0.2003","0.2261","","","","","","1.036","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017765","15.777","0.008","19.297","0.009","21.128","0.011","108.942","0.008","110.955","0.005","90.469","0.007","5625","5","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C283 H264 Co8 N32 O4 -","- C283 H264 Co8 N32 O4 -","- C283 H264 Co8 N32 O4 -","1","0.5","","Devoille, Aline M. J.; Love, Jason B.","Double-pillared cobalt Pacman complexes: synthesis, structures and oxygen reduction catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","65","72","10.1039/c1dt11424g","","","0.71073","MoKα","","0.0893","0.075","","","0.1945","0.2151","","","","","","1.073","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017766","14.9616","0.0003","16.2706","0.0003","28.8075","0.0006","90","","91.944","0.002","90","","7008.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 Co2 N10 O4 -","- C84 H90 Co2 N10 O4 -","- C336 H360 Co8 N40 O16 -","4","1","","Devoille, Aline M. J.; Love, Jason B.","Double-pillared cobalt Pacman complexes: synthesis, structures and oxygen reduction catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","65","72","10.1039/c1dt11424g","","","1.54184","CuKα","","0.1127","0.0817","","","","0.2369","","","","","","1.016","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017767","27.5796","0.0004","27.5796","0.0004","15.5052","0.0003","90","","90","","120","","10213.7","0.3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C35.25 H30.5 B0.33 Co F1.33 N5.25 O -","- C35.25 H30.5 B0.333333 Co F1.33333 N5.25 O -","- C423 H366 B4 Co12 F16 N63 O12 -","12","1","","Devoille, Aline M. J.; Love, Jason B.","Double-pillared cobalt Pacman complexes: synthesis, structures and oxygen reduction catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","65","72","10.1039/c1dt11424g","","","1.54184","CuKα","","0.0844","0.0583","","","0.163","0.1795","","","","","","0.749","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017768","7.501","0.003","10.545","0.005","14.899","0.006","90","","96.806","0.006","90","","1170.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 Au2 N8 O8 -","- C14 H30 Au2 N8 O8 -","- C28 H60 Au4 N16 O16 -","2","0.5","","Ballarin, Barbara; Busetto, Luigi; Cassani, Maria Cristina; Femoni, Cristina; Ferrari, Anna Maria; Miletto, Ivana; Caputo, Giuseppe","Primary amino-functionalized N-heterocyclic carbene ligands as support for Au(i)Au(i) interactions: structural, electrochemical, spectroscopic and computational studies of the dinuclear [Au(2)(NH(2)(CH(2))(2)imMe)(2)][NO(3)](2).","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2445","2455","10.1039/c1dt11425e","","","0.71073","MoKα","","0.1024","0.0799","","","0.2091","0.2285","","","","","","1.066","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017769","10.7725","0.0003","11.7419","0.0004","16.7312","0.0004","70.432","0.002","73.72","0.002","63.376","0.002","1761.22","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Fe2 Na2 O10 S2 -","- C28 H38 Fe2 Na2 O10 S2 -","- C56 H76 Fe4 Na4 O20 S4 -","2","1","","Wright, Robert J.; Zhang, Wei; Yang, Xinzheng; Fasulo, Meg; Tilley, T. Don","Isolation, observation, and computational modeling of proposed intermediates in catalytic proton reductions with the hydrogenase mimic Fe2(CO)6S2C6H4.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","73","82","10.1039/c1dt11428j","","","1.54178","CuKα","","0.1113","0.092","","","0.2651","0.2988","","","","","","1.229","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017770","18.9863","0.0011","18.9863","0.0011","18.0965","0.001","90","","90","","120","","5649.4","0.6","213","2","213","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","[Zn4O{(Metrz-pba)2mPh}3]-8DMF","","","- C102 H110 N26 O21 Zn4 -","- C78 H54 N18 O13 Zn4 -","- C156 H108 N36 O26 Zn8 -","2","0.333333","","Lincke, Jörg; Lässig, Daniel; Stein, Karolin; Moellmer, Jens; Kuttatheyil, Anusree Viswanath; Reichenbach, Christian; Moeller, Andreas; Staudt, Reiner; Kalies, Grit; Bertmer, Marko; Krautscheid, Harald","A novel Zn(4)O-based triazolyl benzoate MOF: synthesis, crystal structure, adsorption properties and solid state 13C NMR investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","817","824","10.1039/c1dt11431j","","","0.71073","MoKα","","0.0575","0.0457","","","0.1282","0.1352","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017771","19.2401","0.0008","19.2401","0.0008","17.8208","0.0009","90","","90","","120","","5713.1","0.4","180","2","180","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","[Zn4O{(Metrz-pba)2mPh}3]","","","- C78 H54 N18 O13 Zn4 -","- C78 H54 N18 O13 Zn4 -","- C156 H108 N36 O26 Zn8 -","2","0.333333","","Lincke, Jörg; Lässig, Daniel; Stein, Karolin; Moellmer, Jens; Kuttatheyil, Anusree Viswanath; Reichenbach, Christian; Moeller, Andreas; Staudt, Reiner; Kalies, Grit; Bertmer, Marko; Krautscheid, Harald","A novel Zn(4)O-based triazolyl benzoate MOF: synthesis, crystal structure, adsorption properties and solid state 13C NMR investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","817","824","10.1039/c1dt11431j","","","0.71073","MoKα","","0.0372","0.0345","","","0.0876","0.0889","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017772","9.1285","0.0004","9.2016","0.0004","10.0426","0.0004","90.108","0.002","108.795","0.002","114.271","0.002","719.11","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl N2 O Pd -","- C14 H15 Cl N2 O Pd -","- C28 H30 Cl2 N4 O2 Pd2 -","2","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0175","0.0172","","","0.0446","0.0448","","","","","","1.076","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017773","27.9117","0.0012","11.469","0.0005","18.9722","0.0008","90","","116.729","0.002","90","","5424.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 N4 O3 Pd2 -","- C26 H34 N4 O3 Pd2 -","- C208 H272 N32 O24 Pd16 -","8","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0208","0.0198","","","0.0507","0.0513","","","","","","1.039","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017774","13.1876","0.0011","18.0675","0.0014","12.4618","0.0009","90","","105.989","0.002","90","","2854.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cl N3 O4 Pd -","- C29 H32 Cl N3 O4 Pd -","- C116 H128 Cl4 N12 O16 Pd4 -","4","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0398","0.0356","","","0.0865","0.0886","","","","","","1.099","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017775","16.9138","0.0006","11.0175","0.0004","22.5029","0.0009","90","","90.541","0.002","90","","4193.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cl8 N4 O2 Pd2 -","- C36 H34.826 Cl8 N4 O2 Pd2 -","- C144 H139.304 Cl32 N16 O8 Pd8 -","4","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0607","0.0466","","","0.0885","0.0935","","","","","","1.109","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017776","10.5577","0.0007","13.2121","0.0009","14.6686","0.0011","90","","105.436","0.002","90","","1972.3","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H37 Cl2 N3 O3 P2 Pd -","- C44 H37 Cl2 N3 O3 P2 Pd -","- C88 H74 Cl4 N6 O6 P4 Pd2 -","2","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0314","0.0305","","","0.0686","0.069","","","","","","1.103","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017777","10.4042","0.0004","13.5259","0.0006","13.7681","0.0006","90","","101.603","0.002","90","","1897.94","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H38 Cl2 N2 O P2 Pd -","- C44 H38 Cl2 N2 O P2 Pd -","- C88 H76 Cl4 N4 O2 P4 Pd2 -","2","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0336","0.0318","","","0.0673","0.0681","","","","","","1.041","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017778","8.4822","0.0008","11.5612","0.0011","15.6484","0.0015","90","","90.517","0.002","90","","1534.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O3 Pd -","- C14 H22 N4 O3 Pd -","- C56 H88 N16 O12 Pd4 -","4","1","","Vicente, José; Chicote, María-Teresa; Abellán-López, Antonio; Bautista, Delia","A systematic study on the synthesis, reactivity and structure of ortho-palladated aryloximes, including the first cyclopalladated aryloximato and iminoaryloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","752","762","10.1039/c1dt11445j","","","0.71073","MoKα","","0.0248","0.0232","","","0.0518","0.0526","","","","","","1.11","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017779","22.909","0.0013","30.1561","0.0016","27.7203","0.0016","90","","111.637","0.001","90","","17801.1","1.7","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C28 H130 K5 N4 Na6 O185 P5 Pr4 W30 -","- C28 H12 K5 N4 Na6 O171 P5 Pr4 W30 -","- C112 H48 K20 N16 Na24 O684 P20 Pr16 W120 -","4","0.5","","Qin, Chao; Song, Xue-Zhi; Su, Sheng-Qun; Dang, Song; Feng, Jing; Song, Shu-Yan; Hao, Zhao-Min; Zhang, Hong-Jie","New class of Preyssler-lanthanide complexes with modified and extended structures tuned by the lanthanide contraction effect.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2399","2407","10.1039/c1dt11448d","","","0.71073","MoKα","","0.0408","0.0324","","","0.0848","0.0883","","","","","","1.061","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017780","17.7879","0.0012","17.98","0.0013","26.742","0.0018","88.791","0.001","79.049","0.001","71.306","0.001","7946.8","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H97 N2 Na8 O164 P5 Pr4 W30 -","- C16 H9 N2 Na8 O159.5 P5 Pr4 W30 -","- C32 H18 N4 Na16 O319 P10 Pr8 W60 -","2","1","","Qin, Chao; Song, Xue-Zhi; Su, Sheng-Qun; Dang, Song; Feng, Jing; Song, Shu-Yan; Hao, Zhao-Min; Zhang, Hong-Jie","New class of Preyssler-lanthanide complexes with modified and extended structures tuned by the lanthanide contraction effect.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2399","2407","10.1039/c1dt11448d","","","0.71073","MoKα","","0.1324","0.0771","","","0.1772","0.2044","","","","","","0.966","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017781","15.667","0.0006","15.7985","0.0006","17.294","0.0007","64.846","0.001","67.188","0.001","83.052","0.001","3566.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H56 Eu2 N2 Na11 O142 P5 W30 -","- C14 H6 Eu2 N2 Na11 O142 P5 W30 -","- C14 H6 Eu2 N2 Na11 O142 P5 W30 -","1","0.5","","Qin, Chao; Song, Xue-Zhi; Su, Sheng-Qun; Dang, Song; Feng, Jing; Song, Shu-Yan; Hao, Zhao-Min; Zhang, Hong-Jie","New class of Preyssler-lanthanide complexes with modified and extended structures tuned by the lanthanide contraction effect.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2399","2407","10.1039/c1dt11448d","","","0.71073","MoKα","","0.0877","0.0769","","","0.1748","0.1806","","","","","","1.066","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017782","15.6819","0.001","15.723","0.001","17.2434","0.0011","67.175","0.001","65.072","0.001","82.998","0.001","3549.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H52 Gd2 N2 Na11 O140 P5 W30 -","- C14 H6 Gd2 N2 Na11 O139 P5 W30 -","- C14 H6 Gd2 N2 Na11 O139 P5 W30 -","1","0.5","","Qin, Chao; Song, Xue-Zhi; Su, Sheng-Qun; Dang, Song; Feng, Jing; Song, Shu-Yan; Hao, Zhao-Min; Zhang, Hong-Jie","New class of Preyssler-lanthanide complexes with modified and extended structures tuned by the lanthanide contraction effect.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2399","2407","10.1039/c1dt11448d","","","0.71073","MoKα","","0.1147","0.0894","","","0.2061","0.2167","","","","","","1.038","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017783","15.685","0.0014","15.719","0.0014","17.2013","0.0015","67.211","0.001","65.172","0.001","83.081","0.002","3544.1","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H52 N2 Na11 O140 P5 Sm2 W30 -","- C14 H6 N2 Na11 O140 P5 Sm2 W30 -","- C14 H6 N2 Na11 O140 P5 Sm2 W30 -","1","0.5","","Qin, Chao; Song, Xue-Zhi; Su, Sheng-Qun; Dang, Song; Feng, Jing; Song, Shu-Yan; Hao, Zhao-Min; Zhang, Hong-Jie","New class of Preyssler-lanthanide complexes with modified and extended structures tuned by the lanthanide contraction effect.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2399","2407","10.1039/c1dt11448d","","","0.71073","MoKα","","0.1328","0.1155","","","0.2695","0.2792","","","","","","1.063","","","","has coordinates,has disorder","179881","2020-10-21","18:00:00",""
"7017784","6.2459","0.0008","13.6956","0.0019","18.873","0.003","90","","90","","90","","1614.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl N2 O3 Re -","- C13 H20 Cl N2 O3 Re -","- C52 H80 Cl4 N8 O12 Re4 -","4","1","","Drozdz, Anita; Bubrin, Martina; Fiedler, Jan; Záliš, Stanislav; Kaim, Wolfgang","(α-Diimine)tricarbonylhalorhenium complexes: the oxidation side.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1013","1019","10.1039/c1dt11449b","","","0.71073","MoKα","","0.1106","0.0587","","","0.1349","0.1416","","","","","","1.11","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017785","9.7716","0.0001","19.9934","0.0003","25.5683","0.0003","90","","90","","90","","4995.22","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H41 N O2 Si4 -","- C16 H41 N O2 Si4 -","- C128 H328 N8 O16 Si32 -","8","1","","Hardwick, Julie A.; Pavelka, Laura C.; Baines, Kim M.","The addition of amides to group 14 (di)-metallenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","609","621","10.1039/c1dt11450f","","","0.71073","MoKα","","0.1017","0.048","","","0.1146","0.1314","","","","","","1.021","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017786","12.59","0.004","7.098","0.002","13.565","0.005","90","","110.359","0.005","90","","1136.5","0.6","123.2","","123.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 O3 Ru -","- C12 H10 O3 Ru -","- C48 H40 O12 Ru4 -","4","1","","Ando, Tatsuya; Nakata, Naoki; Suzuki, Kazuharu; Matsumoto, Takahiro; Ogo, Seiji","Ru cyclooctatetraene precursors for MOCVD.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1678","1682","10.1039/c1dt11454a","","","0.7107","MoKα","","","0.0194","","","","0.0523","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017787","6.4941","0.0006","6.5761","0.0006","9.3664","0.0008","85.2","0.001","87.91","0.001","66.005","0.001","364.15","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","1","0.5","","Murray, Paul R.; Crawford, Stephen; Dawson, Alice; Delf, Alexander; Findlay, Calum; Jack, Lorna; McInnes, Eric J. L.; Al-Musharafi, Salma; Nichol, Gary S.; Oswald, Iain; Yellowlees, Lesley J.","On the electronic structure of nitro-substituted bipyridines and their platinum complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","201","207","10.1039/c1dt11456e","","","0.71073","MoKα","","0.0428","0.0418","","","0.1164","0.1175","","","","","","1.061","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017788","7.4647","0.0003","10.1931","0.0004","11.7396","0.0004","90","","90","","90","","893.25","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 N3 O2 -","- C10 H7 N3 O2 -","- C40 H28 N12 O8 -","4","1","","Murray, Paul R.; Crawford, Stephen; Dawson, Alice; Delf, Alexander; Findlay, Calum; Jack, Lorna; McInnes, Eric J. L.; Al-Musharafi, Salma; Nichol, Gary S.; Oswald, Iain; Yellowlees, Lesley J.","On the electronic structure of nitro-substituted bipyridines and their platinum complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","201","207","10.1039/c1dt11456e","","","0.71073","MoKα","","0.0351","0.0287","","","0.0652","0.0676","","","","","","1.036","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017789","14.3359","0.0012","14.1844","0.0012","14.9479","0.0013","90","","99.909","0.002","90","","2994.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl4 N9 O9 Pt2 -","- C23 H19 Cl4 N9 O9 Pt2 -","- C92 H76 Cl16 N36 O36 Pt8 -","4","1","","Murray, Paul R.; Crawford, Stephen; Dawson, Alice; Delf, Alexander; Findlay, Calum; Jack, Lorna; McInnes, Eric J. L.; Al-Musharafi, Salma; Nichol, Gary S.; Oswald, Iain; Yellowlees, Lesley J.","On the electronic structure of nitro-substituted bipyridines and their platinum complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","201","207","10.1039/c1dt11456e","","","0.71073","MoKα","","0.0351","0.0277","","","0.0604","0.0627","","","","","","1.02","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017790","13.832","0.006","14.491","0.006","25.245","0.011","89.257","0.006","88.79","0.006","61.571","0.005","4449","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Cl4 Mn5 N30 O23 -","- C72 H72 Cl4 Mn5 N30 O22 -","- C144 H144 Cl8 Mn10 N60 O44 -","2","1","","Mandal, T. N.; Roy, S.; Konar, S.; Jana, A.; Das, K.; Ray, S.; Gupta, S.; Saha, R.; El Fallah, M. S.; Tercero, J.; Butcher, R. J.; Chatterjee, S.; Kar, S. K.","Synthesis, structural, magnetic, DFT calculations and CShM studies of three new pentanuclear Mn(II) clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","413","423","10.1039/c1dt11458a","","","0.71073","MoKα","","0.0689","0.0587","","","0.1611","0.1675","","","","","","1.1","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017791","34.1672","0.0011","19.6474","0.0007","29.3633","0.0009","90","","111.754","0.002","90","","18307.7","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H74 Cl4 Mn5 N36 O26 -","- C66 H66 Cl4 Mn5 N36 O22 -","- C528 H528 Cl32 Mn40 N288 O176 -","8","1","","Mandal, T. N.; Roy, S.; Konar, S.; Jana, A.; Das, K.; Ray, S.; Gupta, S.; Saha, R.; El Fallah, M. S.; Tercero, J.; Butcher, R. J.; Chatterjee, S.; Kar, S. K.","Synthesis, structural, magnetic, DFT calculations and CShM studies of three new pentanuclear Mn(II) clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","413","423","10.1039/c1dt11458a","","","0.71073","MoKα","","0.1062","0.0718","","","0.1981","0.2153","","","","","","1.06","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017792","15.011","0.002","28.447","0.004","26.921","0.003","90","","107.93","0.01","90","","10937","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H84 Cl4 Mn5 N48 O25 -","- C90 H78 Cl4 Mn5 N48 O22 -","- C360 H312 Cl16 Mn20 N192 O88 -","4","1","","Mandal, T. N.; Roy, S.; Konar, S.; Jana, A.; Das, K.; Ray, S.; Gupta, S.; Saha, R.; El Fallah, M. S.; Tercero, J.; Butcher, R. J.; Chatterjee, S.; Kar, S. K.","Synthesis, structural, magnetic, DFT calculations and CShM studies of three new pentanuclear Mn(II) clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","413","423","10.1039/c1dt11458a","","","0.71073","MoKα","","0.079","0.0665","","","0.1726","0.1819","","","","","","1.127","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017793","7.7158","0.0002","13.8315","0.0003","13.9203","0.0003","60.896","0.001","75.123","0.001","82.381","0.001","1254.45","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H39 N5 O -","- C26 H39 N5 O -","- C52 H78 N10 O2 -","2","1","","Sung, Chang-Yu; Li, Chen-Yu; Su, Jing-Kai; Chen, Ting-Yi; Lin, Chia-Her; Ko, Bao-Tsan","Zinc and magnesium complexes incorporated by bis(amine) benzotriazole phenoxide ligand: synthesis, characterization, photoluminescent properties and catalysis for ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","953","961","10.1039/c1dt11461a","","","0.71073","MoKα","","0.0604","0.0514","","","0.1308","0.1349","","","","","","1.095","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017794","23.2246","0.0016","8.3575","0.0005","27.7372","0.0016","90","","105.4","0.004","90","","5190.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H76 Mg N10 O2 -","- C52 H76 Mg N10 O2 -","- C208 H304 Mg4 N40 O8 -","4","0.5","","Sung, Chang-Yu; Li, Chen-Yu; Su, Jing-Kai; Chen, Ting-Yi; Lin, Chia-Her; Ko, Bao-Tsan","Zinc and magnesium complexes incorporated by bis(amine) benzotriazole phenoxide ligand: synthesis, characterization, photoluminescent properties and catalysis for ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","953","961","10.1039/c1dt11461a","","","0.71073","MoKα","","0.1399","0.1005","","","0.2106","0.2269","","","","","","1.133","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017795","11.4457","0.0002","18.0495","0.0003","13.8545","0.0002","90","","104.912","0.001","90","","2765.8","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 N5 O Zn -","- C28 H43 N5 O Zn -","- C112 H172 N20 O4 Zn4 -","4","1","","Sung, Chang-Yu; Li, Chen-Yu; Su, Jing-Kai; Chen, Ting-Yi; Lin, Chia-Her; Ko, Bao-Tsan","Zinc and magnesium complexes incorporated by bis(amine) benzotriazole phenoxide ligand: synthesis, characterization, photoluminescent properties and catalysis for ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","953","961","10.1039/c1dt11461a","","","0.71073","MoKα","","0.0551","0.0491","","","0.1328","0.1376","","","","","","1.052","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017796","23.1996","0.0004","8.3354","0.0002","27.7046","0.0005","90","","105.727","0.001","90","","5156.9","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H76 N10 O2 Zn -","- C52 H76 N10 O2 Zn -","- C208 H304 N40 O8 Zn4 -","4","0.5","","Sung, Chang-Yu; Li, Chen-Yu; Su, Jing-Kai; Chen, Ting-Yi; Lin, Chia-Her; Ko, Bao-Tsan","Zinc and magnesium complexes incorporated by bis(amine) benzotriazole phenoxide ligand: synthesis, characterization, photoluminescent properties and catalysis for ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","953","961","10.1039/c1dt11461a","","","0.71073","MoKα","","0.0438","0.0373","","","0.0948","0.0982","","","","","","1.037","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017797","13.4237","0.001","26.406","0.003","19.4266","0.0011","90","","99.531","0.007","90","","6791","1","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","1","","Maini, Lucia; Braga, Dario; Mazzeo, Paolo P.; Ventura, Barbara","Polymorph and isomer conversion of complexes based on CuI and PPh3 easily observed via luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","531","539","10.1039/c1dt11462j","","","0.71073","MoKα","","0.0584","0.0463","","","0.1026","0.1117","","","","","","1.038","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017798","29.7864","0.0003","29.7864","0.0003","29.7864","0.0003","90","","90","","90","","26427.4","0.5","90","2","90","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C1152 H960 Cu64 I64 P64 -","16","0.333333","","Maini, Lucia; Braga, Dario; Mazzeo, Paolo P.; Ventura, Barbara","Polymorph and isomer conversion of complexes based on CuI and PPh3 easily observed via luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","531","539","10.1039/c1dt11462j","","","0.71073","MoKα","","0.0459","0.0383","","","0.0588","0.0609","","","","","","1.02","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017799","30.0503","0.0006","30.0503","0.0006","30.0503","0.0006","90","","90","","90","","27136","0.9","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C1152 H960 Cu64 I64 P64 -","16","0.333333","","Maini, Lucia; Braga, Dario; Mazzeo, Paolo P.; Ventura, Barbara","Polymorph and isomer conversion of complexes based on CuI and PPh3 easily observed via luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","531","539","10.1039/c1dt11462j","","","0.71073","MoKα","","0.0972","0.0402","","","0.0711","0.0801","","","","","","0.791","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017800","15.7252","0.0006","19.5305","0.0007","17.641","0.0008","90","","110.473","0.005","90","","5075.7","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 Cl2 Cu2 I2 P3 -","- C55 H47 Cl2 Cu2 I2 P3 -","- C220 H188 Cl8 Cu8 I8 P12 -","4","1","","Maini, Lucia; Braga, Dario; Mazzeo, Paolo P.; Ventura, Barbara","Polymorph and isomer conversion of complexes based on CuI and PPh3 easily observed via luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","531","539","10.1039/c1dt11462j","","x-ray","0.71073","MoKα","","0.1644","0.1059","","","0.3235","0.3689","","","","","","1.233","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017801","13.2375","0.0005","18.5976","0.0007","18.9297","0.0007","90","","93.953","0.004","90","","4649.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 Cu I P3 -","- C54 H45 Cu I P3 -","- C216 H180 Cu4 I4 P12 -","4","1","","Maini, Lucia; Braga, Dario; Mazzeo, Paolo P.; Ventura, Barbara","Polymorph and isomer conversion of complexes based on CuI and PPh3 easily observed via luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","531","539","10.1039/c1dt11462j","","","0.71073","MoKα","","0.097","0.0439","","","0.1157","0.1302","","","","","","0.763","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017802","16.5928","0.0008","11.8192","0.0004","19.0005","0.0008","90","","111.772","0.005","90","","3460.5","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Fe N3 Na O Zn -","- C36 H56 Fe N3 Na O Zn -","- C144 H224 Fe4 N12 Na4 O4 Zn4 -","4","1","","Hevia, Eva; Kennedy, Alan R.; McCall, Matthew D.","Assessing the reactivity of sodium zincate [(TMEDA)Na(TMP)Zn(t)Bu2] towards benzoylferrocene: deprotonative metalation vs. alkylation reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","98","103","10.1039/c1dt11465d","","","0.71073","MoKα","","0.1137","0.0464","","","0.069","0.0771","","","","","","0.787","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017803","9.615","0.0003","11.7549","0.0004","17.2226","0.0005","90","","105.283","0.003","90","","1877.72","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22.95 Fe I1.05 O -","- C21 H22.9497 Fe I1.0503 O -","- C84 H91.7988 Fe4 I4.2012 O4 -","4","1","","Hevia, Eva; Kennedy, Alan R.; McCall, Matthew D.","Assessing the reactivity of sodium zincate [(TMEDA)Na(TMP)Zn(t)Bu2] towards benzoylferrocene: deprotonative metalation vs. alkylation reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","98","103","10.1039/c1dt11465d","","","0.71073","MoKα","","0.0653","0.0505","","","0.1106","0.1161","","","","","","1.128","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017804","11.0692","0.0008","14.4319","0.001","14.6345","0.0007","102.227","0.005","111.723","0.005","100.148","0.006","2037.4","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H64 Fe N3 Na O Zn -","- C43 H64 Fe N3 Na O Zn -","- C86 H128 Fe2 N6 Na2 O2 Zn2 -","2","1","","Hevia, Eva; Kennedy, Alan R.; McCall, Matthew D.","Assessing the reactivity of sodium zincate [(TMEDA)Na(TMP)Zn(t)Bu2] towards benzoylferrocene: deprotonative metalation vs. alkylation reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","98","103","10.1039/c1dt11465d","","","0.71073","MoKα","","0.0641","0.043","","","0.0948","0.1091","","","","","","1.027","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017805","10.9164","0.0006","25.1685","0.0013","18.334","0.0011","90","","91.06","0.005","90","","5036.4","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Fe O -","- C21 H22 Fe O -","- C252 H264 Fe12 O12 -","12","3","","Hevia, Eva; Kennedy, Alan R.; McCall, Matthew D.","Assessing the reactivity of sodium zincate [(TMEDA)Na(TMP)Zn(t)Bu2] towards benzoylferrocene: deprotonative metalation vs. alkylation reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","98","103","10.1039/c1dt11465d","","","0.71073","MoKα","","0.1196","0.058","","","0.1008","0.1252","","","","","","0.99","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017806","9.4854","0.0002","10.711","0.0002","14.5757","0.0003","102.744","0.002","90.147","0.002","91.855","0.002","1443.55","0.05","446","2","446","2","","","","","","","","5","P -1","-P 1","2","Ammonium ethylenediaminietetraacetato lanthanum citrate","","","- C32 H84 La2 N12 O39 -","- C32 H84 La2 N12 O39 -","- C32 H84 La2 N12 O39 -","1","0.5","","Chen, Mao-Long; Gao, Song; Zhou, Zhao-Hui","Isolations and characterization of highly water-soluble dimeric lanthanide citrate and malate with ethylenediaminetetraacetate.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1202","1209","10.1039/c1dt11466b","","","0.71073","MoKα","","0.0201","0.0183","","","0.046","0.0465","","","","","","1.038","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017807","9.4887","0.0003","10.6793","0.0004","14.5334","0.0006","102.722","0.004","90.144","0.003","91.8","0.003","1435.78","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Ammonium ethylenediaminietetraacetato cerium citrate","","","- C32 H84 Ce2 N12 O39 -","- C32 H84 Ce2 N12 O39 -","- C32 H84 Ce2 N12 O39 -","1","0.5","","Chen, Mao-Long; Gao, Song; Zhou, Zhao-Hui","Isolations and characterization of highly water-soluble dimeric lanthanide citrate and malate with ethylenediaminetetraacetate.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1202","1209","10.1039/c1dt11466b","","","0.71073","MoKα","","0.0381","0.0312","","","0.063","0.0659","","","","","","1.03","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017808","11.234","0.003","11.305","0.003","14.592","0.004","84.066","0.004","72.72","0.004","65.178","0.004","1605.6","0.8","566","2","566","2","","","","","","","","6","P -1","-P 1","2","Potassium ethylenediaminietetraacetato lanthanum citrate","","","- C32 H66 K8 La2 N4 O46 -","- C32 H66 K8 La2 N4 O46 -","- C32 H66 K8 La2 N4 O46 -","1","0.5","","Chen, Mao-Long; Gao, Song; Zhou, Zhao-Hui","Isolations and characterization of highly water-soluble dimeric lanthanide citrate and malate with ethylenediaminetetraacetate.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1202","1209","10.1039/c1dt11466b","","","0.71073","MoKα","","0.0491","0.0423","","","0.1104","0.1133","","","","","","1.106","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017809","9.8421","0.0003","11.2798","0.0005","13.7733","0.0005","72.37","0.004","72.257","0.003","88.654","0.003","1383.94","0.1","446","2","446","2","","","","","","","","6","P -1","-P 1","2","Potassium ethylenediaminietetraacetato lanthanum malate","","","- C28 H60 K6 La2 N4 O40 -","- C28 H60 K6 La2 N4 O40 -","- C28 H60 K6 La2 N4 O40 -","1","0.5","","Chen, Mao-Long; Gao, Song; Zhou, Zhao-Hui","Isolations and characterization of highly water-soluble dimeric lanthanide citrate and malate with ethylenediaminetetraacetate.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1202","1209","10.1039/c1dt11466b","","","0.71073","MoKα","","0.0322","0.0237","","","0.0459","0.0469","","","","","","0.922","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017810","9.8381","0.0003","11.2618","0.0004","13.7843","0.0005","72.303","0.003","72.095","0.003","88.588","0.002","1380.49","0.09","446","2","446","2","","","","","","","","6","P -1","-P 1","2","Potassium ethylenediaminietetraacetato cerium malate","","","- C28 H60 Ce2 K6 N4 O40 -","- C28 H60 Ce2 K6 N4 O40 -","- C28 H60 Ce2 K6 N4 O40 -","1","0.5","","Chen, Mao-Long; Gao, Song; Zhou, Zhao-Hui","Isolations and characterization of highly water-soluble dimeric lanthanide citrate and malate with ethylenediaminetetraacetate.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1202","1209","10.1039/c1dt11466b","","","0.71073","MoKα","","0.0485","0.0454","","","0.1459","0.1476","","","","","","1.095","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017811","12.453","0.004","7.313","0.002","12.823","0.004","90","","102.244","0.005","90","","1141.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 As La N O9 -","- C6 H9 As La N O9 -","- C24 H36 As4 La4 N4 O36 -","4","1","","Qian, Xiang-Ying; Zhang, Jian-Han; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and luminescent properties of new lanthanide(III) organoarsonates.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1229","1236","10.1039/c1dt11481f","","","0.71073","MoKα","","0.0378","0.0288","","","0.0576","0.0607","","","","","","1.103","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017812","7.197","0.003","21.153","0.007","6.964","0.003","90","","104.65","0.007","90","","1025.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 As Gd N O8 -","- C6 H7 As Gd N O8 -","- C24 H28 As4 Gd4 N4 O32 -","4","1","","Qian, Xiang-Ying; Zhang, Jian-Han; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and luminescent properties of new lanthanide(III) organoarsonates.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1229","1236","10.1039/c1dt11481f","","","0.71073","MoKα","","0.0371","0.0315","","","0.0755","0.0781","","","","","","1.037","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017813","7.072","0.0011","21.151","0.002","7.6662","0.0011","90","","108.421","0.008","90","","1088","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 As N O9 Sm -","- C7 H6 As N O9 Sm -","- C28 H24 As4 N4 O36 Sm4 -","4","1","","Qian, Xiang-Ying; Zhang, Jian-Han; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and luminescent properties of new lanthanide(III) organoarsonates.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1229","1236","10.1039/c1dt11481f","","","0.71073","MoKα","","0.0516","0.0427","","","0.0701","0.0739","","","","","","1.194","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017814","7.047","0.007","21.094","0.019","7.656","0.008","90","","108.527","0.017","90","","1079.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 As Eu N O9 -","- C7 H6 As Eu N O9 -","- C28 H24 As4 Eu4 N4 O36 -","4","1","","Qian, Xiang-Ying; Zhang, Jian-Han; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and luminescent properties of new lanthanide(III) organoarsonates.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1229","1236","10.1039/c1dt11481f","","","0.71073","MoKα","","0.0741","0.0537","","","0.0952","0.1044","","","","","","1.155","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017815","17.3966","0.0002","19.0674","0.0003","19.9009","0.0003","90","","96.088","0.001","90","","6564.06","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H95 Fe5 N4 O20 -","- C47 H95 Fe5 N4 O20 -","- C188 H380 Fe20 N16 O80 -","4","1","","Kizas, Christos M.; Manos, Manolis J.; Nastopoulos, Vassilios; Boudalis, Athanassios K.; Sanakis, Yiannis; Tasiopoulos, Anastasios J.","Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1544","1552","10.1039/c1dt11487e","","","0.71073","MoKα","","0.0764","0.0396","","","0.0781","0.0822","","","","","","0.882","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7017816","12.2398","0.0002","25.8362","0.0004","21.8856","0.0003","90","","91.4364","0.0013","90","","6918.71","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H70 Fe5 N5 O20 -","- C63 H70 Fe5 N5 O20 -","- C252 H280 Fe20 N20 O80 -","4","1","","Kizas, Christos M.; Manos, Manolis J.; Nastopoulos, Vassilios; Boudalis, Athanassios K.; Sanakis, Yiannis; Tasiopoulos, Anastasios J.","Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1544","1552","10.1039/c1dt11487e","","","0.71073","MoKα","","0.0655","0.0347","","","0.0709","0.0747","","","","","","0.912","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017817","14.204","0.0005","19.9979","0.0007","25.9433","0.0008","90","","95.698","0.003","90","","7332.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H111.6 Fe5 N4 O20.3 -","- C59 H111 Fe5 N4 O20.3 -","- C236 H444 Fe20 N16 O81.2 -","4","1","","Kizas, Christos M.; Manos, Manolis J.; Nastopoulos, Vassilios; Boudalis, Athanassios K.; Sanakis, Yiannis; Tasiopoulos, Anastasios J.","Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1544","1552","10.1039/c1dt11487e","","","0.71073","MoKα","","0.1402","0.0669","","","0.1477","0.1634","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017818","24.0638","0.0005","14.2734","0.0002","25.8406","0.0006","90","","111.12","0.002","90","","8279.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.6 H88.9 Fe5 N5.3 O21 -","- C75.6 H86.9 Fe5 N5.3 O21 -","- C302.4 H347.6 Fe20 N21.2 O84 -","4","1","","Kizas, Christos M.; Manos, Manolis J.; Nastopoulos, Vassilios; Boudalis, Athanassios K.; Sanakis, Yiannis; Tasiopoulos, Anastasios J.","Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1544","1552","10.1039/c1dt11487e","","","0.71073","MoKα","","0.1113","0.0538","","","0.13","0.139","","","","","","0.948","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017819","16.4685","0.0008","18.6761","0.0007","24.3627","0.0009","90","","102.958","0.005","90","","7302.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H108 Cl Fe5 N2 O24 -","- C56 H104 Cl Fe5 N2 O24 -","- C224 H416 Cl4 Fe20 N8 O96 -","4","1","","Kizas, Christos M.; Manos, Manolis J.; Nastopoulos, Vassilios; Boudalis, Athanassios K.; Sanakis, Yiannis; Tasiopoulos, Anastasios J.","Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1544","1552","10.1039/c1dt11487e","","","0.71073","MoKα","","0.1828","0.066","","","0.0962","0.1102","","","","","","0.84","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017820","11.6702","0.0009","13.6745","0.0011","21.1659","0.0017","97.135","0.003","103.103","0.002","93.052","0.002","3252.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H130 Au4 Cl8 O4 P4 -","- C130.008 H130 Au4 Cl8 O4 P4 -","- C130.008 H130 Au4 Cl8 O4 P4 -","1","0.5","","Koshevoy, Igor O.; Lin, Chia-Li; Hsieh, Cheng-Chih; Karttunen, Antti J.; Haukka, Matti; Pakkanen, Tapani A.; Chou, Pi-Tai","Synthesis, characterization and photophysical properties of PPh2-C2-(C6H4)n-C2-PPh2 based bimetallic Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","937","945","10.1039/c1dt11494h","","","0.71073","MoKα","","0.0879","0.0569","","","0.1331","0.1558","","","","","","1.074","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017821","11.248","0.002","17.45","0.004","24.16","0.005","90","","97.94","0.03","90","","4696.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene) _ 5 terephthalate dianion_ 2 erbium(iii)_8 H2O_ 19 H2O","","","- C78 H108 Er2 N10 O47 -","- C78 H54 Er2 N10 O42 -","- C156 H108 Er4 N20 O84 -","2","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Nelson, Cory A.; Cho, Won; Lynch, Vincent M.; Zhu, Xiaoyang; Oh, Moonhyun; Sessler, Jonathan L.","Multi component self-assembly: supramolecular organic frameworks containing metal-rotaxane subunits (RSOFs).","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1134","1137","10.1039/c1dt11495f","","","0.71073","MoKα","","0.0581","0.0531","","","0.1271","0.1307","","","","","","1.026","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017822","11.167","0.002","17.82","0.004","24.502","0.005","90","","99.33","0.03","90","","4811.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene) _ 5 terephthalate dianion_ 2 lutetium(iii)_8 H2O_22 H2O","","","- C78 H114 Lu2 N10 O50 -","- C78 H54 Lu2 N10 O50 -","- C156 H108 Lu4 N20 O100 -","2","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Nelson, Cory A.; Cho, Won; Lynch, Vincent M.; Zhu, Xiaoyang; Oh, Moonhyun; Sessler, Jonathan L.","Multi component self-assembly: supramolecular organic frameworks containing metal-rotaxane subunits (RSOFs).","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1134","1137","10.1039/c1dt11495f","","","0.71073","MoKα","","0.0615","0.0577","","","0.1318","0.137","","","","","","1.01","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017823","11.288","0.005","17.608","0.007","24.405","0.01","90","","98.315","0.005","90","","4800","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terephthalate dianion_ 2 yttrium(iii)_8 H2O_31 H2O","","","- C78 H132 N10 O59 Y2 -","- C78 H54 N10 O36 Y2 -","- C156 H108 N20 O72 Y4 -","2","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Nelson, Cory A.; Cho, Won; Lynch, Vincent M.; Zhu, Xiaoyang; Oh, Moonhyun; Sessler, Jonathan L.","Multi component self-assembly: supramolecular organic frameworks containing metal-rotaxane subunits (RSOFs).","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1134","1137","10.1039/c1dt11495f","","","0.71075","MoKα","","0.1355","0.0917","","","0.2404","0.2647","","","","","","0.998","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017824","11.295","0.002","17.674","0.004","24.549","0.005","90","","98.66","0.03","90","","4844.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene) _ 5 terephthalate dianion_ 2 gadilinium(iii)_8 H2O_ 22 H2O","","","- C78 H114 Gd2 N10 O50 -","- C78 H54 Gd2 N10 O50 -","- C156 H108 Gd4 N20 O100 -","2","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Nelson, Cory A.; Cho, Won; Lynch, Vincent M.; Zhu, Xiaoyang; Oh, Moonhyun; Sessler, Jonathan L.","Multi component self-assembly: supramolecular organic frameworks containing metal-rotaxane subunits (RSOFs).","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1134","1137","10.1039/c1dt11495f","","","0.71073","MoKα","","0.0583","0.0545","","","0.13","0.1326","","","","","","1.056","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017825","11.186","0.002","17.851","0.004","24.578","0.005","90","","99.16","0.03","90","","4845.2","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene) _ 5 terephthalate dianion_ 2 thulium(iii)_8 H2O_32 H2O","","","- C78 H134 N10 O60 Tm2 -","- C78 H54 N10 O40 Tm2 -","- C156 H108 N20 O80 Tm4 -","2","0.5","","Gong, Han-Yuan; Rambo, Brett M.; Nelson, Cory A.; Cho, Won; Lynch, Vincent M.; Zhu, Xiaoyang; Oh, Moonhyun; Sessler, Jonathan L.","Multi component self-assembly: supramolecular organic frameworks containing metal-rotaxane subunits (RSOFs).","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1134","1137","10.1039/c1dt11495f","","","0.71073","MoKα","","0.1441","0.0901","","","0.2041","0.2455","","","","","","1.005","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017826","20.417","0.004","21.521","0.004","17.649","0.003","90","","119.76","0.03","90","","6732","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H46 Eu2 F18 O16 -","- C64 H46 Eu2 F18 O16 -","- C256 H184 Eu8 F72 O64 -","4","0.5","","Li, Hong-Feng; Yan, Peng-Fei; Chen, Peng; Wang, Yan; Xu, Hui; Li, Guang-Ming","Highly luminescent bis-diketone lanthanide complexes with triple-stranded dinuclear structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","900","907","10.1039/c1dt11496d","","","0.71073","MoKα","","0.0557","0.0457","","","0.1348","0.1437","","","","","","1.07","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017827","11.1163","0.0003","17.6881","0.0005","18.9126","0.0006","93.252","0.0008","101.112","0.0008","102.661","0.0007","3541.19","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 F18 Nd2 O16 -","- C68 H50 F18 Nd2 O16 -","- C136 H100 F36 Nd4 O32 -","2","1","","Li, Hong-Feng; Yan, Peng-Fei; Chen, Peng; Wang, Yan; Xu, Hui; Li, Guang-Ming","Highly luminescent bis-diketone lanthanide complexes with triple-stranded dinuclear structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","900","907","10.1039/c1dt11496d","","","0.71073","MoKα","","0.0793","0.0494","","","0.1203","0.151","","","","","","1.097","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017828","10.8884","0.0003","17.7585","0.0005","18.8929","0.0005","94.294","0.0007","101.752","0.0007","103.472","0.0007","3449.35","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 F18 O16 Yb2 -","- C68 H50 F18 O16 Yb2 -","- C136 H100 F36 O32 Yb4 -","2","1","","Li, Hong-Feng; Yan, Peng-Fei; Chen, Peng; Wang, Yan; Xu, Hui; Li, Guang-Ming","Highly luminescent bis-diketone lanthanide complexes with triple-stranded dinuclear structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","900","907","10.1039/c1dt11496d","","","0.71073","MoKα","","0.0684","0.0526","","","0.1538","0.1646","","","","","","1.147","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017829","11.397","0.003","17.772","0.004","22.892","0.005","90","","90","","90","","4636.7","1.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H68 Li4 N4 O6 -","- C48 H68 Li4 N4 O6 -","- C192 H272 Li16 N16 O24 -","4","0.5","","Janas, Zofia; Nerkowski, Tomasz; Kober, Ewa; Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Lithium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis and structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","442","447","10.1039/c1dt11498k","","","0.71073","MoKα","","0.0543","0.0386","","","0.1029","0.1077","","","","","","1.064","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017830","23.417","0.008","12.217","0.004","23.689","0.008","90","","109.91","0.05","90","","6372","4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H92 Cl2 Li6 N4 O9 -","- C60 H92 Cl2 Li6 N4 O9 -","- C240 H368 Cl8 Li24 N16 O36 -","4","0.5","","Janas, Zofia; Nerkowski, Tomasz; Kober, Ewa; Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Lithium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis and structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","442","447","10.1039/c1dt11498k","","","0.71073","MoKα","","0.0865","0.0531","","","0.1333","0.1435","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017831","14.82","0.003","6.049","0.003","21.294","0.005","90","","107.48","0.03","90","","1820.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","","Janas, Zofia; Nerkowski, Tomasz; Kober, Ewa; Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Lithium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis and structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","442","447","10.1039/c1dt11498k","","","0.71073","MoKα","","0.0699","0.0401","","","0.0899","0.0953","","","","","","0.983","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017832","10.3093","0.0003","10.3617","0.0002","15.874","0.0004","93.564","0.001","90.351","0.001","118.183","0.001","1490.55","0.07","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C16 H47 P3 Si5 -","- C16 H47 P3 Si5 -","- C32 H94 P6 Si10 -","2","1","","Averre, Charlotte E.; Coles, Martyn P.; Crossley, Ian R.; Day, Iain J.","The open-chain triphosphanes RMe2SiCH2P(PR'2)2 (R = Me, Ph; R' = SiMe3, Cy, Ph).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","278","284","10.1039/c1dt11499a","","x-ray","0.7107","MoKα","","0.0306","0.0273","","","0.0711","0.0732","","","","","","1.03","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017833","11.552","0.0008","19.465","0.0015","18.341","0.0011","90","","98.253","0.003","90","","4081.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H65 N2 O P2 Sc Si -","- C36 H65 N2 O P2 Sc Si -","- C144 H260 N8 O4 P8 Sc4 Si4 -","4","1","","Halcovitch, Nathan R.; Fryzuk, Michael D.","Synthesis and characterization of organo-scandium and yttrium complexes stabilized by phosphinoamide ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1524","1528","10.1039/c1dt11501d","","","0.71073","MoKα","","0.0519","0.0441","","","0.123","0.1266","","","","","","1.09","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017834","17.026","0.0009","13.4302","0.0006","23.0701","0.0013","90","","104.733","0.001","90","","5101.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H77 N3 O P3 Y -","- C46 H77 N3 O P3 Y -","- C184 H308 N12 O4 P12 Y4 -","4","1","","Halcovitch, Nathan R.; Fryzuk, Michael D.","Synthesis and characterization of organo-scandium and yttrium complexes stabilized by phosphinoamide ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1524","1528","10.1039/c1dt11501d","","","0.71073","MoKα","","0.0463","0.0327","","","0.0859","0.0908","","","","","","1.075","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017835","19.6758","0.0013","12.2455","0.0005","16.8436","0.001","90","","93.658","0.002","90","","4050","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H55 I Ir N4 O -","- C42 H55 I Ir N4 O -","- C168 H220 I4 Ir4 N16 O4 -","4","1","","Zuo, Weiwei; Braunstein, Pierre","Stepwise synthesis of a hydrido, N-heterocyclic dicarbene iridium(III) pincer complex featuring mixed NHC/abnormal NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","636","643","10.1039/c1dt11511a","","","0.71073","MoKα","","0.111","0.0623","","","0.1604","0.1803","","","","","","0.94","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017836","14.3334","0.0005","17.8209","0.0008","19.0291","0.0005","90","","106.637","0.002","90","","4657.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Cl0.25 I1.75 Ir2 N4 -","- C50 H66 Cl0.25 I1.75 Ir2 N4 -","- C200 H264 Cl I7 Ir8 N16 -","4","1","","Zuo, Weiwei; Braunstein, Pierre","Stepwise synthesis of a hydrido, N-heterocyclic dicarbene iridium(III) pincer complex featuring mixed NHC/abnormal NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","636","643","10.1039/c1dt11511a","","x-ray","0.71073","MoKα","","0.1249","0.0531","","","0.1223","0.1462","","","","","","0.989","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017837","11.9188","0.0003","27.5788","0.0006","12.3562","0.0003","90","","111.849","0.001","90","","3769.81","0.16","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42.82 H100 B2 Co4 F8 Mn4 N6 O31 -","- C42.82 H96 B2 Co4 F8 Mn4 N6 O31 -","- C85.64 H192 B4 Co8 F16 Mn8 N12 O62 -","2","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1033","1046","10.1039/c1dt11513h","","","0.71073","MoKα","","0.1331","0.0787","","","0.2042","0.2436","","","","","","1.033","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017838","9.41","0.0019","12.94","0.003","14.52","0.003","101.81","0.03","104.55","0.03","104.57","0.03","1587.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H94 Co2 Mn4 N6 O30 -","- C48 H94 Co2 Mn4 N6 O30 -","- C48 H94 Co2 Mn4 N6 O30 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1033","1046","10.1039/c1dt11513h","","","0.71054","Synchrotron","","0.0626","0.062","","","0.1584","0.1592","","","","","","1.065","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017839","10.2228","0.0003","10.7616","0.0004","14.12","0.0004","95.028","0.002","108.896","0.002","90.062","0.002","1463.31","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Mn2 N6 Ni4 O28 -","- C44 H80.014 Mn2 N6 Ni4 O28.014 -","- C44 H80.014 Mn2 N6 Ni4 O28.014 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1033","1046","10.1039/c1dt11513h","","","0.71073","MoKα","","0.079","0.0687","","","0.1802","0.1856","","","","","","1.13","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017840","11.1764","0.0003","11.4785","0.0003","19.1645","0.0004","90","","105.158","0.001","90","","2373.04","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 Co2 Mn2 N2 O20 -","- C40 H64 Co2 Mn2 N2 O20 -","- C80 H128 Co4 Mn4 N4 O40 -","2","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1033","1046","10.1039/c1dt11513h","","","0.71073","MoKα","","0.0338","0.0306","","","0.0687","0.0704","","","","","","1.17","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017841","12.1669","0.0003","20.2693","0.0006","13.4861","0.0004","90","","94.594","0.001","90","","3315.18","0.16","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H72 Cl2 Fe2 Mn2 N12 O22 -","- C51 H72 Cl2 Fe2 Mn2 N12 O22 -","- C102 H144 Cl4 Fe4 Mn4 N24 O44 -","2","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1033","1046","10.1039/c1dt11513h","","","0.71073","MoKα","","0.0706","0.0583","","","0.1346","0.1415","","","","","","1.114","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017842","13.5301","0.0003","17.974","0.0004","48.5907","0.001","90","","90","","90","","11816.8","0.4","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C50 H70 B Co2 F6 Mn3 N9 O18 -","- C49.997 H70 B Co2 F6 Mn3 N9 O18 -","- C399.976 H560 B8 Co16 F48 Mn24 N72 O144 -","8","1","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1033","1046","10.1039/c1dt11513h","","","0.71073","MoKα","","0.1045","0.0869","","","0.1762","0.1855","","","","","","1.129","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017843","12.2545","0.0004","15.5313","0.0005","17.7","0.0006","89.13","0.002","70.95","0.002","83.65","0.002","3163.99","0.18","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H81 Cl6 Co2 Mn3 N6 O25 -","- C42 H81 Cl6 Co2 Mn3 N6 O25 -","- C84 H162 Cl12 Co4 Mn6 N12 O50 -","2","1","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1033","1046","10.1039/c1dt11513h","","","0.71073","MoKα","","0.1071","0.0592","","","0.146","0.1716","","","","","","1.045","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017844","19.809","0.007","25.12","0.008","19.115","0.006","90","","108.286","0.004","90","","9031","5","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(u-S-5-nitrofurylthiosemicarbazonato)-bis(p-cymene)-di- ruthenium(ii) dichloride heptahydrate","bis(u-S-5-nitrofurylthiosemicarbazonato)-bis(p-cymene)-di-ruthenium(II) dichloride heptahydrate","","- C32 H38 Cl2 N8 O13.5 Ru2 S2 -","- C32 H38 Cl2 N8 O13.5 Ru2 S2 -","- C256 H304 Cl16 N64 O108 Ru16 S16 -","8","2","","Demoro, Bruno; Sarniguet, Cynthia; Sánchez-Delgado, Roberto; Rossi, Miriam; Liebowitz, Daniel; Caruso, Francesco; Olea-Azar, Claudio; Moreno, Virtudes; Medeiros, Andrea; Comini, Marcelo A.; Otero, Lucía; Gambino, Dinorah","New organoruthenium complexes with bioactive thiosemicarbazones as co-ligands: potential anti-trypanosomal agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1534","1543","10.1039/c1dt11519g","","","0.71073","MoKα","","0.0842","0.0457","","","0.0996","0.1182","","","","","","1.006","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017845","21.639","0.008","11.066","0.004","21.408","0.012","90","","113.206","0.004","90","","4712","4","125","2","125","2","","","","","","","","8","C 1 c 1","C -2yc","9","bis(mu-S-5-nitrofuryl-N-ethylthiosemicarbazonato)-bis(p- cymene)-di-ruthenium(ii) dihexafluorophosphate hydrate","bis(μ-S-5-nitrofuryl-N-ethylthiosemicarbazonato)-bis(p-cymene)-di- ruthenium(II) dihexafluorophosphate hydrate","","- C36 H48 F12 N8 O7 P2 Ru2 S2 -","- C36 H48 F12 N8 O7 P2 Ru2 S2 -","- C144 H192 F48 N32 O28 P8 Ru8 S8 -","4","1","","Demoro, Bruno; Sarniguet, Cynthia; Sánchez-Delgado, Roberto; Rossi, Miriam; Liebowitz, Daniel; Caruso, Francesco; Olea-Azar, Claudio; Moreno, Virtudes; Medeiros, Andrea; Comini, Marcelo A.; Otero, Lucía; Gambino, Dinorah","New organoruthenium complexes with bioactive thiosemicarbazones as co-ligands: potential anti-trypanosomal agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1534","1543","10.1039/c1dt11519g","","","0.71073","MoKα","","0.06","0.0425","","","0.0738","0.0798","","","","","","0.988","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017846","14.053","0.003","14.659","0.003","14.674","0.003","98.85","0.03","101.17","0.03","104.83","0.03","2800.1","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H62 N10 O74 Sb2 V6 W18 -","- C60 H61 N10 O74 Sb2 V6 W18 -","- C60 H61 N10 O74 Sb2 V6 W18 -","1","0.5","","Han, Zhangang; Zhang, Qixia; Gao, Yuanzhe; Wu, Jingjing; Zhai, Xueliang","Novel hexagonal {V=O}6-containing sandwich-type cluster accompanied by in situ carbon-carbon bond formation of organic cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1332","1337","10.1039/c1dt11527h","","","0.71073","MoKα","","0.0743","0.0542","","","0.1403","0.1549","","","","","","1.031","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017847","49.204","0.002","49.204","0.002","15.0273","0.0007","90","","90","","120","","31507","2","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C234 H310 N36 O292 Sb6 V19 W66 -","- C234 H306 N36 O292 Sb6 V19 W66 -","- C702 H918 N108 O876 Sb18 V57 W198 -","3","0.166667","","Han, Zhangang; Zhang, Qixia; Gao, Yuanzhe; Wu, Jingjing; Zhai, Xueliang","Novel hexagonal {V=O}6-containing sandwich-type cluster accompanied by in situ carbon-carbon bond formation of organic cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1332","1337","10.1039/c1dt11527h","","","0.71073","MoKα","","0.0686","0.0519","","","0.1419","0.1546","","","","","","1.034","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017848","11.6827","0.0008","9.4837","0.0005","12.5641","0.0009","90","","101.481","0.007","90","","1364.19","0.16","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H40 Cl N4 O6 Ru2 -","- C18 H40 Cl N4 O6 Ru2 -","- C36 H80 Cl2 N8 O12 Ru4 -","2","0.5","","Villalobos, Leslie; Cao, Zhi; Fanwick, Phillip E.; Ren, Tong","Diruthenium(II,III) tetramidates as a new class of oxygenation catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","644","650","10.1039/c1dt11530h","","","1.54184","CU-Kα","","0.049","0.047","","","0.135","0.138","","","","","","1.129","","","","has coordinates","288189","2023-12-08","15:49:02",""
"7017849","10.4362","0.0012","12.8638","0.0013","12.6574","0.0018","90","","93.192","0.004","90","","1696.6","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Cl N4 O4 Ru2 -","- C12 H20 Cl N4 O4 Ru2 -","- C48 H80 Cl4 N16 O16 Ru8 -","4","0.5","","Villalobos, Leslie; Cao, Zhi; Fanwick, Phillip E.; Ren, Tong","Diruthenium(II,III) tetramidates as a new class of oxygenation catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","644","650","10.1039/c1dt11530h","","","1.54184","CU-Kα","","0.067","0.061","","","0.182","0.188","","","","","","1.15","","","","has coordinates,has disorder","288189","2023-12-08","15:49:02",""
"7017850","10.6187","0.0005","10.6364","0.0005","21.8815","0.0011","91.914","0.002","94.314","0.002","111.132","0.002","2293.8","0.19","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H55 Al4 Cl10 O2 P3 -","- C29 H55 Al4 Cl10 O2 P3 -","- C58 H110 Al8 Cl20 O4 P6 -","2","1","","Bashforth, Rachel; Boyall, Alice J.; Coffer, Philippa K.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Kenwright, Alan M.; Probert, Michael R.; Shepherd, Helena J.; Thompson, Amber L.","The relative stabilities of cyclic dicationic derivatives of diphosphanes with three (3P) or four (4P) linked phosphorus atoms.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1165","1172","10.1039/c1dt11549a","","","0.71073","MoKα","","0.081","0.0463","","","0.1031","0.1143","","","","","","0.944","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017851","10.5087","0.0006","15.1261","0.0008","20.845","0.001","72.928","0.002","87.477","0.002","72.386","0.002","3015.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C85.982 H125.982 Cl35.946 P6 Sn3 -","- C85.982 H125.982 Cl35.946 P6 Sn3 -","- C85.982 H125.982 Cl35.946 P6 Sn3 -","1","0.5","","Bashforth, Rachel; Boyall, Alice J.; Coffer, Philippa K.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Kenwright, Alan M.; Probert, Michael R.; Shepherd, Helena J.; Thompson, Amber L.","The relative stabilities of cyclic dicationic derivatives of diphosphanes with three (3P) or four (4P) linked phosphorus atoms.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1165","1172","10.1039/c1dt11549a","","x-ray","0.71073","MoKα","K-L~3~","0.1113","0.052","","","0.109","0.1301","","","","","","0.981","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017852","38.5425","0.0012","11.8925","0.0004","26.5378","0.0009","90","","130.391","0.001","90","","9264.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H57 Al2 Cl11 P4 -","- C30 H57 Al2 Cl11 P4 -","- C240 H456 Al16 Cl88 P32 -","8","1","","Bashforth, Rachel; Boyall, Alice J.; Coffer, Philippa K.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Kenwright, Alan M.; Probert, Michael R.; Shepherd, Helena J.; Thompson, Amber L.","The relative stabilities of cyclic dicationic derivatives of diphosphanes with three (3P) or four (4P) linked phosphorus atoms.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1165","1172","10.1039/c1dt11549a","","","0.71073","MoKα","","0.0472","0.0348","","","0.0882","0.0953","","","","","","1.017","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017853","10.5532","0.0008","11.0978","0.0008","16.1102","0.0012","104.319","0.001","92.367","0.001","100.455","0.001","1790.4","0.2","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cl6 P4 Sn -","- C29 H32 Cl6 P4 Sn -","- C58 H64 Cl12 P8 Sn2 -","2","1","","Bashforth, Rachel; Boyall, Alice J.; Coffer, Philippa K.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Kenwright, Alan M.; Probert, Michael R.; Shepherd, Helena J.; Thompson, Amber L.","The relative stabilities of cyclic dicationic derivatives of diphosphanes with three (3P) or four (4P) linked phosphorus atoms.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1165","1172","10.1039/c1dt11549a","","","0.71073","MoKα","","0.0666","0.0466","","","0.1009","0.1085","","","","","","1.037","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017854","11.152","0.002","11.188","0.002","14.506","0.003","81.42","0.03","71.31","0.03","63.19","0.03","1530.1","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H54 Li2 N4 Si2 -","- C24 H54 Li2 N4 Si2 -","- C48 H108 Li4 N8 Si4 -","2","1","","Colquhoun, Victoria P.; Strohmann, Carsten","Structural influence of steric factors and donor functions on lithium silylamides in non-coordinating solvents.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1897","1902","10.1039/c1dt11550b","","","0.71073","MoKα","","0.091","0.061","","","0.1357","0.152","","","","","","1.02","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017855","22.239","0.004","8.34","0.002","17.941","0.004","90","","122.498","0.018","90","","2806.5","1.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H50 Li2 N4 Si2 -","- C22 H50 Li2 N4 Si2 -","- C88 H200 Li8 N16 Si8 -","4","0.5","","Colquhoun, Victoria P.; Strohmann, Carsten","Structural influence of steric factors and donor functions on lithium silylamides in non-coordinating solvents.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1897","1902","10.1039/c1dt11550b","","","0.71073","MoKα","","0.069","0.0611","","","0.162","0.1705","","","","","","1.025","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017856","8.3553","0.0004","17.7254","0.0006","11.8129","0.0005","90","","99.415","0.004","90","","1725.94","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H63 Li2 N5 O Si2 -","- C28 H63 Li2 N5 O Si2 -","- C56 H126 Li4 N10 O2 Si4 -","2","1","","Colquhoun, Victoria P.; Strohmann, Carsten","Structural influence of steric factors and donor functions on lithium silylamides in non-coordinating solvents.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1897","1902","10.1039/c1dt11550b","","","0.71073","MoKα","","0.0414","0.0329","","","0.0654","0.0665","","","","","","1.019","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017857","8.4867","0.001","9.1182","0.001","12.9775","0.0012","87.737","0.008","77.741","0.009","64.186","0.011","881.82","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","'lithium 5-(2-methoxyethyl)-7,7,9,9-tetramethyl-2-oxa-5,8-diaza-7-siladecan-8-ide","","- C13 H31 Li N2 O2 Si -","- C13 H31 Li N2 O2 Si -","- C26 H62 Li2 N4 O4 Si2 -","2","1","","Colquhoun, Victoria P.; Strohmann, Carsten","Structural influence of steric factors and donor functions on lithium silylamides in non-coordinating solvents.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1897","1902","10.1039/c1dt11550b","","","0.71073","MoKα","","0.0897","0.0441","","","0.0495","0.0519","","","","","","0.959","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017858","9.7217","0.0005","12.3438","0.0006","16.153","0.0008","79.6257","0.0015","87.9281","0.0017","71.2491","0.0015","1805.03","0.16","88","","88","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 Cl7 Ir N3 S2 -","- C35 H25 Cl7 Ir N3 S2 -","- C70 H50 Cl14 Ir2 N6 S4 -","2","1","","Kuwabara, Junpei; Namekawa, Tomomi; Haga, Masa-aki; Kanbara, Takaki","Luminescent Ir(III) complexes containing benzothiazole-based tridentate ligands: synthesis, characterization, and application to organic light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","44","46","10.1039/c1dt11560j","","","0.71075","MoKα","","","0.0563","","","","0.1348","","","","","","0.943","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017859","8.8979","0.0003","14.1372","0.0005","19.0729","0.0006","97.1587","0.0012","90.6934","0.0011","110.367","0.0012","2227.7","0.13","88","","88","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H40 F12 Ir N7 O2 P2 S2 -","- C43 H40 F12 Ir N7 O2 P2 S2 -","- C86 H80 F24 Ir2 N14 O4 P4 S4 -","2","1","","Kuwabara, Junpei; Namekawa, Tomomi; Haga, Masa-aki; Kanbara, Takaki","Luminescent Ir(III) complexes containing benzothiazole-based tridentate ligands: synthesis, characterization, and application to organic light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","44","46","10.1039/c1dt11560j","","","0.71075","MoKα","","","0.0404","","","","0.0969","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017860","7.483","0.0015","9.99","0.002","12.155","0.002","75.27","0.03","85","0.03","73.82","0.03","843.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 N4 O4 Zn2 -","- C34 H32 Cl4 N4 O4 Zn2 -","- C34 H32 Cl4 N4 O4 Zn2 -","1","0.5","","You, Zhong-Lu; Zhang, Mei; Xian, Dong-Mei","The unprecedented preparation of dinuclear zinc(ii) complexes from 4-halido-2-[(3-cyclohexylaminopropylimino)methyl]phenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2515","2524","10.1039/c1dt11566a","","","0.71073","MoKα","","0.0469","0.0375","","","0.0841","0.0883","","","","","","1.032","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017861","7.008","0.0014","10.081","0.002","13.095","0.003","100.62","0.03","95.51","0.03","104.03","0.03","872.5","0.4","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Br4 N4 O4 Zn2 -","- C34 H32 Br4 N4 O4 Zn2 -","- C34 H32 Br4 N4 O4 Zn2 -","1","0.5","","You, Zhong-Lu; Zhang, Mei; Xian, Dong-Mei","The unprecedented preparation of dinuclear zinc(ii) complexes from 4-halido-2-[(3-cyclohexylaminopropylimino)methyl]phenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2515","2524","10.1039/c1dt11566a","","","0.71073","MoKα","","0.1361","0.0774","","","0.136","0.1544","","","","","","1.079","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017862","9.3468","0.0012","11.5073","0.0015","18.539","0.002","90","","93.774","0.002","90","","1989.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 N4 Ni3 O8 -","- C38 H34 Cl4 N4 Ni3 O8 -","- C76 H68 Cl8 N8 Ni6 O16 -","2","0.5","","You, Zhong-Lu; Zhang, Mei; Xian, Dong-Mei","The unprecedented preparation of dinuclear zinc(ii) complexes from 4-halido-2-[(3-cyclohexylaminopropylimino)methyl]phenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2515","2524","10.1039/c1dt11566a","","","0.71073","MoKα","","0.0547","0.0372","","","0.0918","0.1012","","","","","","1.024","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017863","9.111","0.004","12.089","0.006","18.724","0.008","90","","92.117","0.007","90","","2060.9","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Br4 N4 Ni3 O8 -","- C38 H34 Br4 N4 Ni3 O8 -","- C76 H68 Br8 N8 Ni6 O16 -","2","0.5","","You, Zhong-Lu; Zhang, Mei; Xian, Dong-Mei","The unprecedented preparation of dinuclear zinc(ii) complexes from 4-halido-2-[(3-cyclohexylaminopropylimino)methyl]phenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2515","2524","10.1039/c1dt11566a","","","0.71073","MoKα","","0.1213","0.0563","","","0.1318","0.1613","","","","","","1.012","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017864","11.328","0.002","22.468","0.005","8.27","0.0017","90","","93.74","0.03","90","","2100.4","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Br4 Mn3 N4 O8 -","- C38 H34 Br4 Mn3 N4 O8 -","- C76 H68 Br8 Mn6 N8 O16 -","2","0.5","","You, Zhong-Lu; Zhang, Mei; Xian, Dong-Mei","The unprecedented preparation of dinuclear zinc(ii) complexes from 4-halido-2-[(3-cyclohexylaminopropylimino)methyl]phenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2515","2524","10.1039/c1dt11566a","","","0.71073","MoKα","","0.0795","0.0439","","","0.0899","0.1023","","","","","","1.026","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017865","7.7164","0.0003","10.3973","0.0004","26.4771","0.0015","90","","90","","90","","2124.25","0.17","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H22 Fe2 S3 -","- C23 H22 Fe2 S3 -","- C92 H88 Fe8 S12 -","4","0.5","","Singh, Santosh K.; Chauhan, Ratna; Singh, Bandana; Diwan, Kiran; Kociok-Köhn, Gabriele; Bahadur, Lal; Singh, Nanhai","Enhanced light harvesting efficiencies of bis(ferrocenylmethyl)-based sulfur rich sensitizers used in dye sensitized TiO2 solar cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1373","1380","10.1039/c1dt11576f","","","0.71073","MoKα","","0.0757","0.0439","","","0.1115","0.1198","","","","","","0.985","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017866","15.2562","0.0005","5.8414","0.0002","22.5724","0.0006","90","","98.08","0.003","90","","1991.63","0.11","298","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Fe2 S2 -","- C22 H22 Fe2 S2 -","- C88 H88 Fe8 S8 -","4","1","","Singh, Santosh K.; Chauhan, Ratna; Singh, Bandana; Diwan, Kiran; Kociok-Köhn, Gabriele; Bahadur, Lal; Singh, Nanhai","Enhanced light harvesting efficiencies of bis(ferrocenylmethyl)-based sulfur rich sensitizers used in dye sensitized TiO2 solar cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1373","1380","10.1039/c1dt11576f","","","0.71073","MoKα","","0.0686","0.0348","","","0.0672","0.072","","","","","","0.85","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017867","10.5009","0.0003","21.7757","0.0006","10.8067","0.0003","90","","93.286","0.003","90","","2467.05","0.12","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H30 Cu3 N2 O14 -","- C16 H30 Cu3 N2 O14 -","- C64 H120 Cu12 N8 O56 -","4","1","","Swadźba-Kwaśny, Małgorzata; Chancelier, Léa; Ng, Shieling; Manyar, Haresh G.; Hardacre, Christopher; Nockemann, Peter","Facile in situ synthesis of nanofluids based on ionic liquids and copper oxide clusters and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","219","227","10.1039/c1dt11578b","","","0.71073","MoKα","","0.0454","0.0373","","","0.09","0.0947","","","","","","1.054","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017868","10.0873","0.0006","20.5258","0.0011","10.5215","0.0006","90","","96.685","0.002","90","","2163.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Trichlorido(eta5-pentamethylcyclopendienyl)(eta3-N- isopropyl(tert-butyl)amidate) tantalum","Trichlorido(eta5-pentamethylcyclopendienyl)(eta3-N-isopropyl(tert-butyl)amidate) tantalum","","- C18 H31 Cl3 N O Ta -","- C18 H31 Cl3 N O Ta -","- C72 H124 Cl12 N4 O4 Ta4 -","4","1","","Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.","Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1609","1616","10.1039/c1dt11595b","","","0.71073","MoKα","","0.0502","0.0336","","","0.0595","0.063","","","","","","1.195","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017869","11.665","0.002","15.049","0.003","28.516","0.005","90","","100.859","0.01","90","","4916.2","1.6","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Trichlorido(eta5-pentamethylcyclopendienyl) (eta3-N-2,6- dimethylphenyl(tert-butyl)amidate)tantalum","Trichlorido(eta5-pentamethylcyclopendienyl) (eta3-N-2,6-dimethylphenyl(tert-butyl)amidate)tantalum","","- C23 H33 Cl3 N O Ta -","- C23 H33 Cl3 N O Ta -","- C184 H264 Cl24 N8 O8 Ta8 -","8","2","","Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.","Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1609","1616","10.1039/c1dt11595b","","","0.71073","MoKα","","0.0755","0.0643","","","0.1563","0.1607","","","","","","1.267","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017870","8.776","0.005","12.131","0.005","12.167","0.005","95.859","0.005","90.822","0.005","109.198","0.005","1215.3","1","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","Trichlorido(eta5-pentamethylcyclopendienyl)(eta3-N-2,6- dimethylphenyl(phenyl) amidate)tantalum","Trichlorido(eta5-pentamethylcyclopendienyl)(eta3-N-2,6-dimethylphenyl(phenyl) amidate)tantalum","","- C25 H29 Cl3 N O Ta -","- C25 H29 Cl3 N O Ta -","- C50 H58 Cl6 N2 O2 Ta2 -","2","1","","Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.","Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1609","1616","10.1039/c1dt11595b","","","0.71069","MoKα","","0.031","0.0253","","","0.0639","0.0671","","","","","","1.075","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017871","8.9863","0.0004","19.3004","0.0009","11.7122","0.0005","90","","108.886","0.002","90","","1922","0.15","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(eta5-pentamethylcyclopendienyl)(oxo)(eta2-N-isopropyl(tert- butyl)iminoacyl) tantalum","(eta5-pentamethylcyclopendienyl)(oxo)(eta2-N-isopropyl(tert-butyl)iminoacyl) tantalum","","- C18 H31 Cl N O Ta -","- C18 H31 Cl N O Ta -","- C72 H124 Cl4 N4 O4 Ta4 -","4","1","","Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.","Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1609","1616","10.1039/c1dt11595b","","","0.71073","MoKα","","0.0258","0.0199","","","0.0464","0.0483","","","","","","1.038","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017872","8.4087","0.0008","19.2914","0.0017","22.039","0.002","90","","94.868","0.003","90","","3562.2","0.6","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(eta5-pentamethylcyclopendienyl)(eta2-N-2,6- dimethylphenyl(tert-butyl)iminoacyl) (oxo)tantalum","(eta5-pentamethylcyclopendienyl)(eta2-N-2,6-dimethylphenyl(tert-butyl)iminoacyl) (oxo)tantalum","","- C36 H52 Cl N2 O2 Ta -","- C36 H52 Cl N2 O2 Ta -","- C144 H208 Cl4 N8 O8 Ta4 -","4","1","","Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.","Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1609","1616","10.1039/c1dt11595b","","","0.71073","MoKα","","0.0299","0.0224","","","0.0472","0.0496","","","","","","1.029","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017873","10.798","0.002","18.392","0.004","28.086","0.006","93.87","0.01","93.34","0.01","90.31","0.01","5555","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(eta5-pentamethylcyclopendienyl)(eta3-N-2,6- dimethylphenyl(tert-butyl)amidate) (mu-eta1,eta1-dinitrogen)tantalum","(eta5-pentamethylcyclopendienyl)(eta3-N-2,6-dimethylphenyl(tert-butyl)amidate) (mu-eta1,eta1-dinitrogen)tantalum","","- C113 H156 Cl4 N8 O4 Ta4 -","- C113 H156 Cl4 N8 O4 Ta4 -","- C226 H312 Cl8 N16 O8 Ta8 -","2","1","","Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.","Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1609","1616","10.1039/c1dt11595b","","","0.71073","MoKα","","0.0608","0.0356","","","0.0681","0.0764","","","","","","0.995","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017874","13.8058","0.0007","15.1978","0.0007","14.0101","0.0006","90","","90","","90","","2939.6","0.2","100","0.2","100","0.2","","","","","","","","3","C m c a","-C 2ac 2","64","Tetramethyl(eta5-pentamethylcyclopentadienyl)tantalum","Tetramethyl(eta5-pentamethylcyclopentadienyl)tantalum","","- C14 H27 Ta -","- C14 H27 Ta -","- C112 H216 Ta8 -","8","","","Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.","Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1609","1616","10.1039/c1dt11595b","","","0.71073","MoKα","","0.0233","0.0202","","","0.0455","0.0472","","","","","","1.035","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017875","11.535","0.006","23.34","0.01","13.616","0.006","90","","97.69","0.02","90","","3633","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-[Fe(II)(NCS)2(DBB)2]","trans-[Fe(II)(NCS)2(DBB)2]","","- C84 H72 Fe N18 S2 -","- C84 H72 Fe N18 S2 -","- C168 H144 Fe2 N36 S4 -","2","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.77506","Synchrotron","","0.0629","0.0486","","","0.1153","0.1228","","","","","","1.036","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017876","11.643","0.001","23.395","0.0009","13.882","0.0007","90","","98.52","0.003","90","","3739.6","0.4","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-[Fe(II)(NCS)2(DBB)2]","trans-[Fe(II)(NCS)2(DBB)2]","","- C84 H72 Fe N18 S2 -","- C84 H72 Fe N18 S2 -","- C168 H144 Fe2 N36 S4 -","2","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.77487","Synchrotron","","0.056","0.0436","","","0.1086","0.1153","","","","","","1.057","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017877","10.252","0.004","10.404","0.002","20.07","0.003","98.439","0.002","92.244","0.003","119.12","0.01","1834.7","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","trans-[Fe(II)(NCS)2(DDB)2]","trans-[Fe(II)(NCS)2(DDB)2]","","- C84 H72 Fe N18 S2 -","- C84 H72 Fe N18 S2 -","- C84 H72 Fe N18 S2 -","1","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.77371","Synchrotron","","0.1329","0.1186","","","0.3049","0.3111","","","","","","1.204","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017878","9.973","0.002","10.341","0.002","21.44","0.004","84.52","0.03","89.06","0.03","62.86","0.03","1957.8","0.9","123","1","123","1","","","","","","","","5","P -1","-P 1","2","trans-[(Fe(II)(DCA)2(DBB)2].2CH3CH2OH","trans-[(Fe(II)(DCA)2(DBB)2].2CH3CH2OH","","- C90 H84 Fe N22 O2 -","- C90 H72 Fe N22 O2 -","- C90 H72 Fe N22 O2 -","1","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.71073","MoKα","","0.0907","0.0572","","","0.12","0.138","","","","","","1.022","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017879","8.4438","0.0002","10.2305","0.0003","20.6112","0.0007","94.441","0.001","93.203","0.001","109.678","0.001","1665.09","0.09","123","1","123","1","","","","","","","","6","P -1","-P 1","2","trans-[Fe(II)(NCSe)2(DDB)2].2CH3OH","trans-[Fe(II)(NCSe)2(DDB)2].2CH3OH","","- C62 H96 Fe N18 O2 Se2 -","- C62 H96 Fe N18 O2 Se2 -","- C62 H96 Fe N18 O2 Se2 -","1","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.71073","MoKα","","0.0627","0.0406","","","0.0838","0.0934","","","","","","1.012","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017880","13.614","0.002","14.244","0.002","17.453","0.002","106.404","0.002","92.34","0.01","95.281","0.009","3225","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","cis-[Fe(II)(NCS)2(DDB)2]","cis-[Fe(II)(NCS)2(DDB)2]","","- C60 H88 Fe N18 S2 -","- C60 H88 Fe N18 S2 -","- C120 H176 Fe2 N36 S4 -","2","1","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.77371","Synchrotron","","0.0658","0.0517","","","0.1368","0.1454","","","","","","1.06","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017881","8.521","0.0006","11.7421","0.0007","15.3839","0.0009","79.359","0.002","86.745","0.002","72.678","0.003","1444.15","0.16","123","1","123","1","","","","","","","","7","P -1","-P 1","2","trans-[Fe(II)(NCSe)2(DDCCl)].2CH3OH","trans-[Fe(II)(NCSe)2(DDCCl)].2CH3OH","","- C54 H68 Cl2 Fe N16 O2 Se2 -","- C54 H68 Cl2 Fe N16 O2 Se2 -","- C54 H68 Cl2 Fe N16 O2 Se2 -","1","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.71073","MoKα","","0.0357","0.0289","","","0.0723","0.0753","","","","","","1.036","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017882","9.4833","0.0006","11.302","0.0006","18.8225","0.0011","82.031","0.003","85.455","0.003","72.293","0.004","1901.8","0.2","123","1","123","1","","","","","","","","6","P -1","-P 1","2","trans-[Fe(II)(NCS)2(DDT)2].4CH2Cl2","trans-[Fe(II)(NCS)2(DDT)2].4CH2Cl2","","- C80 H64 Cl8 Fe N18 S2 -","- C80 H64 Cl8 Fe N18 S2 -","- C80 H64 Cl8 Fe N18 S2 -","1","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.71073","MoKα","","0.1161","0.054","","","0.1007","0.1233","","","","","","0.976","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017883","9.5165","0.0005","11.3385","0.0007","18.8082","0.001","82.509","0.002","85.5","0.003","72.142","0.002","1913.6","0.19","123","1","123","1","","","","","","","","6","P -1","-P 1","2","trans-[Fe(II)(NCSe)2(DDT)2].4CH2Cl2","trans-[Fe(II)(NCSe)2(DDT)2].4CH2Cl2","","- C80 H64 Cl8 Fe N18 Se2 -","- C80 H64 Cl8 Fe N18 Se2 -","- C80 H64 Cl8 Fe N18 Se2 -","1","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Neville, Suzanne M.; Batten, Stuart R.; Murray, Keith S.","Polymorphism and spin crossover in mononuclear Fe(II) species containing new dipyridylamino-substituted s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1512","1523","10.1039/c1dt11597a","","","0.71073","MoKα","","0.1002","0.0553","","","0.0889","0.1033","","","","","","1.021","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017884","13.5384","0.0003","14.6695","0.0003","16.8574","0.0004","95.126","0.001","101.316","0.001","107.014","0.001","3100.45","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H77 F12 Ir2 N11 P2 -","- C58 H77 F12 Ir2 N11 P2 -","- C116 H154 F24 Ir4 N22 P4 -","2","1","","Liu, Xianghao; Lacour, Jérôme; Braunstein, Pierre","Chiral anion-based NMR enantiodiscrimination of a dinuclear, cationic Ir(I) NHC complex with a figure-of-eight loop structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","138","142","10.1039/c1dt11604e","","x-ray","0.71073","MoKα","","0.0498","0.0362","","","0.101","0.1183","","","","","","1.061","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017885","8.8504","0.0003","15.635","0.0004","12.5268","0.0004","90","","94.065","0.003","90","","1729.05","0.09","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br N4 O3 Re -","- C14 H16 Br N4 O3 Re -","- C56 H64 Br4 N16 O12 Re4 -","4","1","","Canella, Daniel; Hock, Sebastian J.; Hiltner, Oliver; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterization of propylene and butylene bridged fac-tricarbonylrhenium(i) biscarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2110","2121","10.1039/c1dt11611h","","","0.71073","MoKα","","0.0344","0.0293","","","0.0712","0.0737","","","","","","1.082","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017886","8.2115","0.0004","9.3879","0.0004","19.7863","0.0008","95.6508","0.0017","91.4818","0.0017","102.127","0.0018","1482.32","0.11","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Br N4 O3 Re -","- C30 H32 Br N4 O3 Re -","- C60 H64 Br2 N8 O6 Re2 -","2","1","","Canella, Daniel; Hock, Sebastian J.; Hiltner, Oliver; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterization of propylene and butylene bridged fac-tricarbonylrhenium(i) biscarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2110","2121","10.1039/c1dt11611h","","","0.71073","MoKα","","0.0223","0.0221","","","0.0571","0.0573","","","","","","1.065","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017887","15.1796","0.001","22.3292","0.0014","18.6233","0.0012","90","","106.295","0.003","90","","6058.8","0.7","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 Br N4 O3 Re -","- C31 H34 Br N4 O3 Re -","- C248 H272 Br8 N32 O24 Re8 -","8","1","","Canella, Daniel; Hock, Sebastian J.; Hiltner, Oliver; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterization of propylene and butylene bridged fac-tricarbonylrhenium(i) biscarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2110","2121","10.1039/c1dt11611h","","","0.71073","MoKα","","0.0462","0.0433","","","0.0978","0.0996","","","","","","1.117","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017888","16.255","0.003","17.304","0.004","21.415","0.004","78.93","0.03","70.96","0.03","74.07","0.03","5440","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C165 H89.5 F12 N12.5 O24 Ru4 S4 -","- C80.37 H82 F7.11 N10 O19.11 Ru4 S2.37 -","- C160.74 H164 F14.22 N20 O38.22 Ru8 S4.74 -","2","1","","Mishra, Anurag; Vajpayee, Vaishali; Kim, Hyunuk; Lee, Min Hyung; Jung, Hyunji; Wang, Ming; Stang, Peter J.; Chi, Ki-Whan","Self-assembled metalla-bowls for selective sensing of multi-carboxylate anions.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1195","1201","10.1039/c1dt11612f","","","1","synchrotron","","0.145","0.1365","","","0.384","0.3979","","","","","","1.865","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017889","24.684","0.005","27.669","0.011","19.703","0.005","90","","90","","90","","13457","7","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C118 H105 Fe6 N O34 -","- C118 H105 Fe6 N O34 -","- C472 H420 Fe24 N4 O136 -","4","0.5","","Harben, Spencer M.; Mosselmans, J Frederick W; Ryan, Áine T; Whitwood, Adrian C.; Walton, Paul H.","Polymer imprinting with iron-oxo-hydroxo clusters: [Fe6O2(OH)2(O2CC(Cl)=CH2)12(H2O)2], [Fe6O2(OH)2(O2C-Ph-(CH)=CH2)12(H2O)2] and [{Fe(O2CC(Cl)=CH2)(OMe)2}10].","Dalton transactions (Cambridge, England : 2003)","2012","41","1","208","218","10.1039/c1dt11614b","","","0.71069","MoKα","","0.1468","0.0659","","","0.1774","0.2031","","","","","","0.908","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017890","13.612","0.004","14.985","0.007","20.236","0.012","77.82","0.04","82.86","0.04","66.76","0.03","3703","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cl12 Fe6 O30 -","- C36 H30 Cl12 Fe6 O30 -","- C72 H60 Cl24 Fe12 O60 -","2","1","","Harben, Spencer M.; Mosselmans, J Frederick W; Ryan, Áine T; Whitwood, Adrian C.; Walton, Paul H.","Polymer imprinting with iron-oxo-hydroxo clusters: [Fe6O2(OH)2(O2CC(Cl)=CH2)12(H2O)2], [Fe6O2(OH)2(O2C-Ph-(CH)=CH2)12(H2O)2] and [{Fe(O2CC(Cl)=CH2)(OMe)2}10].","Dalton transactions (Cambridge, England : 2003)","2012","41","1","208","218","10.1039/c1dt11614b","","","0.71069","MoKα","","0.2956","0.1218","","","0.3014","0.3588","","","","","","0.896","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017891","8.2961","0.0019","13.477","0.004","15.762","0.005","71.28","0.03","77.77","0.02","78.14","0.02","1613.1","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H26 Cl Cu N5 O8 S -","- C33 H26 Cl Cu N5 O8 S -","- C66 H52 Cl2 Cu2 N10 O16 S2 -","2","1","","Diwan, Kiran; Singh, Bandana; Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Facile in situ copper(II) mediated C-S bond activation transforming dithiocarbimate to carbamate and thiocarbamate generating Cu(II) and Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","367","369","10.1039/c1dt11622c","","","0.71073","MoKα","","0.154","0.0545","","","0.0989","0.1127","","","","","","0.785","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017892","12.1797","0.0008","18.8798","0.0008","29.5552","0.0018","90","","95.373","0.006","90","","6766.4","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Cl2 Cu4 N10 O25 S2 -","- C58 H56 Cl2 Cu4 N10 O25 S2 -","- C232 H224 Cl8 Cu16 N40 O100 S8 -","4","1","","Diwan, Kiran; Singh, Bandana; Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Facile in situ copper(II) mediated C-S bond activation transforming dithiocarbimate to carbamate and thiocarbamate generating Cu(II) and Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","367","369","10.1039/c1dt11622c","","","0.71073","MoKα","","0.1965","0.0733","","","0.1494","0.1723","","","","","","0.811","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017893","13.1335","0.0011","13.5099","0.0012","14.0175","0.0013","91.287","0.007","107.473","0.008","116.536","0.009","2086.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H40 Cu N O3 P2 S2 -","- C45 H40 Cu N O3 P2 S2 -","- C90 H80 Cu2 N2 O6 P4 S4 -","2","1","","Diwan, Kiran; Singh, Bandana; Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Facile in situ copper(II) mediated C-S bond activation transforming dithiocarbimate to carbamate and thiocarbamate generating Cu(II) and Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","367","369","10.1039/c1dt11622c","","","0.71073","MoKα","","0.1101","0.0584","","","0.1078","0.1274","","","","","","0.965","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017894","19.2814","0.0007","10.7776","0.0003","26.0757","0.0001","90","","119.752","0.002","90","","4704.4","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Eu K3 N27 O8 -","- C29 H41 Eu K3 N27 O8 -","- C116 H164 Eu4 K12 N108 O32 -","4","0.5","","Andreiadis, Eugen S.; Imbert, Daniel; Pécaut, Jacques; Demadrille, Renaud; Mazzanti, Marinella","Self-assembly of highly luminescent lanthanide complexes promoted by pyridine-tetrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1268","1277","10.1039/c1dt11627d","","","0.71073","MoKα","","0.0255","0.0223","","","0.0532","0.0538","","","","","","1.081","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7017895","14.335","0.004","11.098","0.003","30.696","0.008","90","","98.82","0.005","90","","4826","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 Eu N18 O8.5 -","- C39 H61 Eu N18 O8.5 -","- C156 H244 Eu4 N72 O34 -","4","1","","Andreiadis, Eugen S.; Imbert, Daniel; Pécaut, Jacques; Demadrille, Renaud; Mazzanti, Marinella","Self-assembly of highly luminescent lanthanide complexes promoted by pyridine-tetrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1268","1277","10.1039/c1dt11627d","","","0.71073","MoKα","","0.0639","0.0483","","","0.0789","0.0824","","","","","","1.146","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017896","13.732","0.003","14.066","0.003","15.398","0.003","71.82","0.004","71.903","0.004","77.483","0.004","2662.2","1","140","","140","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H68 Al Cl N2 O4 -","- C61 H68 Al Cl N2 O4 -","- C122 H136 Al2 Cl2 N4 O8 -","2","1","","Beck, John F.; Schmidt, Joseph A. R.","Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","860","870","10.1039/c1dt11629k","","","0.71073","MoKα","","0.0854","0.0727","","","0.1932","0.2056","","","","","","1.048","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017897","10.6393","0.0004","18.9992","0.0007","17.3022","0.0007","90","","96.823","0.001","90","","3472.7","0.2","140","","140","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 N2 O4 Zn -","- C40 H44 N2 O4 Zn -","- C160 H176 N8 O16 Zn4 -","4","1","","Beck, John F.; Schmidt, Joseph A. R.","Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","860","870","10.1039/c1dt11629k","","","0.71073","MoKα","","0.0521","0.0392","","","0.1032","0.1101","","","","","","1.024","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017898","12.04","0.002","17.36","0.004","12.56","0.003","90","","111.76","0.03","90","","2438.2","1","140","","140","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N2 O4 Zn -","- C28 H32 N2 O4 Zn -","- C112 H128 N8 O16 Zn4 -","4","1","","Beck, John F.; Schmidt, Joseph A. R.","Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","860","870","10.1039/c1dt11629k","","","0.71073","MoKα","","0.0372","0.0331","","","0.0863","0.0887","","","","","","1.052","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017899","8.4951","0.0017","12.599","0.003","17.341","0.004","92.75","0.03","90.63","0.03","107.11","0.03","1771.2","0.7","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 Cu2 N2 O4 -","- C40 H44 Cu2 N2 O4 -","- C80 H88 Cu4 N4 O8 -","2","1","","Beck, John F.; Schmidt, Joseph A. R.","Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","860","870","10.1039/c1dt11629k","","","0.71073","MoKα","","0.0896","0.0823","","","0.2161","0.222","","","","","","1.011","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017900","10.7","0.002","30.09","0.006","13.07","0.003","90","","97.3","0.03","90","","4173.9","1.5","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cu Li N2 O5 -","- C44 H54 Cu Li N2 O5 -","- C176 H216 Cu4 Li4 N8 O20 -","4","1","","Beck, John F.; Schmidt, Joseph A. R.","Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","860","870","10.1039/c1dt11629k","","","0.71073","MoKα","","0.1171","0.0897","","","0.1982","0.2176","","","","","","1.215","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017901","26.4506","0.0003","26.4506","0.0003","24.4412","0.0008","90","","90","","120","","14808.9","0.5","140","","140","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C64 H64 Cu2 I2 N2 O4 P2 -","- C64 H64 Cu2 I2 N2 O4 P2 -","- C576 H576 Cu18 I18 N18 O36 P18 -","9","0.5","","Beck, John F.; Schmidt, Joseph A. R.","Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","860","870","10.1039/c1dt11629k","","","0.71073","MoKα","","0.0789","0.0407","","","0.1391","0.155","","","","","","1.037","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017902","10.0807","0.0008","16.6881","0.0013","12.1637","0.001","90","","98.214","0.002","90","","2025.3","0.3","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Al Cl2 N O2 -","- C20 H22 Al Cl2 N O2 -","- C80 H88 Al4 Cl8 N4 O8 -","4","1","","Beck, John F.; Schmidt, Joseph A. R.","Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","860","870","10.1039/c1dt11629k","","","0.71073","MoKα","","0.0387","0.0352","","","0.0939","0.0969","","","","","","1.047","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017903","46.9378","0.0003","46.9378","0.0003","16.513","0.0001","90","","90","","90","","36380.7","0.4","293","2","293","2","","","","","","","","7","P -4","P -4","81","(Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8","(Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8","","- C24 H96 N18 Ni3 O51 Sb6 V15 -","- C24 H78 N18 Ni3 O42 Sb6 V15 -","- C384 H1248 N288 Ni48 O672 Sb96 V240 -","16","4","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1338","1344","10.1039/c1dt11635e","","","0.71073","MoKα","","0.0328","0.0306","","","0.0758","0.0768","","","","","","1.039","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017904","23.0517","0.0004","23.0517","0.0004","28.6216","0.0005","90","","90","","120","","13171.4","0.4","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","(Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8","","","- C24 H96 N18 Ni3 O51 Sb6 V15 -","- C24 H78 N18 Ni3 O46 Sb6 V15 -","- C144 H468 N108 Ni18 O276 Sb36 V90 -","6","0.333333","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1338","1344","10.1039/c1dt11635e","","","0.71073","MoKα","","0.0433","0.0396","","","0.0817","0.0828","","","","","","1.155","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017905","13.5159","0.0004","14.2497","0.0005","14.9419","0.0004","98.322","0.002","114.08","0.002","110.13","0.002","2326.36","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(Ni(C4N3H13)2)4(V16Sb4O42(H2O))","","","- C32 H106 N24 Ni4 O43 Sb4 V16 -","- C32 H104 N24 Ni4 O51 Sb4 V16 -","- C32 H104 N24 Ni4 O51 Sb4 V16 -","1","0.5","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1338","1344","10.1039/c1dt11635e","","","0.71073","MoKα","","0.0699","0.0483","","","0.0812","0.0866","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017906","23.6887","0.0017","36.416","0.004","38.285","0.003","90","","90","","90","","33026","5","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C72 H50 Cl2 N10 O8 Ru -","- C72 H50 Cl2 N10 O8 Ru -","- C1152 H800 Cl32 N160 O128 Ru16 -","16","0.5","","Bhaumik, Chanchal; Das, Shyamal; Maity, Dinesh; Baitalik, Sujoy","Luminescent bis-tridentate ruthenium(ii) and osmium(ii) complexes based on terpyridyl-imidazole ligand: synthesis, structural characterization, photophysical, electrochemical, and solvent dependence studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2427","2438","10.1039/c1dt11645b","","","0.71073","MoKα","","0.1015","0.0603","","","0.1818","0.2186","","","","","","0.757","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017907","36.393","0.007","37.524","0.012","23.564","0.005","90","","90","","90","","32179","14","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C72 H50 Cl2 N10 O8 Os -","- C72 H50 Cl2 N10 O8 Os -","- C1152 H800 Cl32 N160 O128 Os16 -","16","0.5","","Bhaumik, Chanchal; Das, Shyamal; Maity, Dinesh; Baitalik, Sujoy","Luminescent bis-tridentate ruthenium(ii) and osmium(ii) complexes based on terpyridyl-imidazole ligand: synthesis, structural characterization, photophysical, electrochemical, and solvent dependence studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2427","2438","10.1039/c1dt11645b","","","0.71073","MoKα","","0.0895","0.0509","","","0.1253","0.1351","","","","","","1.03","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017908","15.823","0.003","15.106","0.003","21.085","0.004","90","","110.28","0.03","90","","4727.4","1.8","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dirhodium(ii) tetrakis(3, 5-di(tert-butyl)pyrazolate))","","","- C44 H76 N8 Rh2 -","- C44 H76 N8 Rh2 -","- C176 H304 N32 Rh8 -","4","0.5","","McCarty, W. Jeffrey; Yang, Xiaoping; DePue Anderson, Lauren J; Jones, Richard A.","Dinuclear Rh(II) pyrazolates as CVD precursors for rhodium thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","173","179","10.1039/c1dt11649e","","","0.71073","MoKα","","0.0437","0.0247","","","0.0536","0.0599","","","","","","1.078","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017909","9.2451","0.0011","18.048","0.002","9.3478","0.0011","90","","103.683","0.003","90","","1515.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Di-rhodium(ii) tetrakis (mu-(3,5- bis(trifluoromethyl)pyrazolate))","","","- C20 H8 F24 N8 O2 Rh2 -","- C20 H8 F24 N8 O2 Rh2 -","- C40 H16 F48 N16 O4 Rh4 -","2","0.5","","McCarty, W. Jeffrey; Yang, Xiaoping; DePue Anderson, Lauren J; Jones, Richard A.","Dinuclear Rh(II) pyrazolates as CVD precursors for rhodium thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","173","179","10.1039/c1dt11649e","","","0.71073","MoKα","","0.0292","0.026","","","0.0561","0.0574","","","","","","1.1","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017910","9.359","","9.434","","10.913","","109.56","","102.23","","92.58","","880.27","","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Di-rhodium(ii)tetrakis (mu-(3,5- bis(trifluoromethyl)pyrazolate))bis(acetonitrile)","","","- C24 H10 F24 N10 Rh2 -","- C24 H10 F24 N10 Rh2 -","- C24 H10 F24 N10 Rh2 -","1","0.5","","McCarty, W. Jeffrey; Yang, Xiaoping; DePue Anderson, Lauren J; Jones, Richard A.","Dinuclear Rh(II) pyrazolates as CVD precursors for rhodium thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","173","179","10.1039/c1dt11649e","","","0.71073","MoKα","","0.0222","0.0207","","","0.0494","0.05","","","","","","0.988","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017911","19.36","0.001","19.36","0.001","10.173","0.0005","90","","90","","90","","3812.9","0.3","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Dirhodium(ii) tetrakis(3-(trifluoromethyl), 5-(tert- butyl)pyrazolate))","","","- C32 H40 F12 N8 Rh2 -","- C32 H40 F12 N8 Rh2 -","- C128 H160 F48 N32 Rh8 -","4","0.25","","McCarty, W. Jeffrey; Yang, Xiaoping; DePue Anderson, Lauren J; Jones, Richard A.","Dinuclear Rh(II) pyrazolates as CVD precursors for rhodium thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","173","179","10.1039/c1dt11649e","","","0.71073","MoKα","","0.1327","0.059","","","0.1153","0.1435","","","","","","1.107","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017912","13.129","0.003","12.882","0.003","19.214","0.007","90","","109.53","0.03","90","","3062.7","1.6","293","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cr N10 O7 Tb -","- C18 H34 Cr N10 O7 Tb -","- C72 H136 Cr4 N40 O28 Tb4 -","4","1","","Guo, Yang; Xu, Gong-Feng; Wang, Chao; Cao, Ting-Ting; Tang, Jinkui; Liu, Zhan-Quan; Ma, Yue; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng","Cyano-bridged terbium(iii)-chromium(iii) bimetallic quasi-one-dimensional assembly exhibiting long-range magnetic ordering.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1624","1629","10.1039/c1dt11655j","","x-ray","0.71073","MoKα","","0.0579","0.0448","","","0.0941","0.0986","","","","","","1.184","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017913","7.3605","0.0015","10.169","0.002","18.26","0.004","76.05","0.03","85.53","0.03","81.31","0.03","1310","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H56 Cd2 N8 O7 S6 -","- C39 H52 Cd2 N8 O7 S6 -","- C39 H52 Cd2 N8 O7 S6 -","1","0.5","","Zheng, Ai-Xia; Wang, Hui-Fang; Lü, Chun-Ning; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Reactions of cadmium(II) nitrate with 4-(trimethylammonio)benzenethiolate in the presence of N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","558","566","10.1039/c1dt11663k","","","0.71073","MoKα","","0.0783","0.0535","","","0.1348","0.1482","","","","","","1.015","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017914","10.798","0.002","12.628","0.003","13.622","0.003","103.52","0.03","98.1","0.03","106.14","0.03","1692.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H58 Cd2 F24 N10 P4 S2 -","- C58 H58 Cd2 F24 N10 P4 S2 -","- C58 H58 Cd2 F24 N10 P4 S2 -","1","0.5","","Zheng, Ai-Xia; Wang, Hui-Fang; Lü, Chun-Ning; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Reactions of cadmium(II) nitrate with 4-(trimethylammonio)benzenethiolate in the presence of N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","558","566","10.1039/c1dt11663k","","","0.71073","MoKα","","0.0642","0.0525","","","0.1251","0.1324","","","","","","1.048","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017915","12.491","0.003","12.561","0.003","12.765","0.003","105.68","0.03","98.99","0.03","101.47","0.03","1842.4","0.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H58 Cd2 F24 N10 P4 S2 -","- C66 H58 Cd2 F24 N10 P4 S2 -","- C66 H58 Cd2 F24 N10 P4 S2 -","1","0.5","","Zheng, Ai-Xia; Wang, Hui-Fang; Lü, Chun-Ning; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Reactions of cadmium(II) nitrate with 4-(trimethylammonio)benzenethiolate in the presence of N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","558","566","10.1039/c1dt11663k","","","0.71073","MoKα","","0.0827","0.0621","","","0.1635","0.1771","","","","","","1.005","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017916","10.425","0.002","10.945","0.002","17.471","0.004","73.48","0.03","77.38","0.03","87.53","0.03","1864.6","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H38 Cd F12 N4 P2 S2 -","- C32 H38 Cd F12 N4 P2 S2 -","- C64 H76 Cd2 F24 N8 P4 S4 -","2","1","","Zheng, Ai-Xia; Wang, Hui-Fang; Lü, Chun-Ning; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Reactions of cadmium(II) nitrate with 4-(trimethylammonio)benzenethiolate in the presence of N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","558","566","10.1039/c1dt11663k","","","0.71073","MoKα","","0.0759","0.0577","","","0.1576","0.1702","","","","","","1.074","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017917","35.725","0.007","10.164","0.002","10.385","0.002","90","","105.67","0.03","90","","3630.7","1.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 Cd F12 N7 P2 S2 -","- C29 H35 Cd F12 N7 P2 S2 -","- C116 H140 Cd4 F48 N28 P8 S8 -","4","0.5","","Zheng, Ai-Xia; Wang, Hui-Fang; Lü, Chun-Ning; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Reactions of cadmium(II) nitrate with 4-(trimethylammonio)benzenethiolate in the presence of N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","558","566","10.1039/c1dt11663k","","","0.71073","MoKα","","0.0768","0.0628","","","0.1498","0.1596","","","","","","1.084","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017918","13.331","0.003","16.928","0.003","18.448","0.004","112.86","0.03","97.28","0.03","97.77","0.03","3726.9","1.7","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H140 Cd4 F48 N18 O P8 S8 -","- C102 H138 Cd4 F48 N18 O P8 S8 -","- C102 H138 Cd4 F48 N18 O P8 S8 -","1","0.5","","Zheng, Ai-Xia; Wang, Hui-Fang; Lü, Chun-Ning; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Reactions of cadmium(II) nitrate with 4-(trimethylammonio)benzenethiolate in the presence of N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","558","566","10.1039/c1dt11663k","","","0.71073","MoKα","","0.1279","0.1005","","","0.2799","0.3121","","","","","","1.106","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017919","16.5068","0.0013","9.9031","0.0005","17.1689","0.0014","90","","105.61","0.006","90","","2703.1","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Cl N Nb O4 -","- C21 H41 Cl N Nb O4 -","- C84 H164 Cl4 N4 Nb4 O16 -","4","1","","Appel, Linus; Fiz, Raquel; Tyrra, Wieland; Mathur, Sanjay","New iso-propoxides, tert-butoxides and neo-pentoxides of niobium(v): Synthesis, structure, characterization and stabilization by trifluoroheteroarylalkenolates and pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1981","1990","10.1039/c1dt11668a","","","0.71073","MoKα","","0.0578","0.044","","","0.1139","0.1224","","","","","","0.966","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017920","8.2345","0.001","18.8002","0.0018","17.923","0.002","90","","116.248","0.009","90","","2488.6","0.5","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F3 N Nb O5 -","- C20 H33 F3 N Nb O5 -","- C80 H132 F12 N4 Nb4 O20 -","4","1","","Appel, Linus; Fiz, Raquel; Tyrra, Wieland; Mathur, Sanjay","New iso-propoxides, tert-butoxides and neo-pentoxides of niobium(v): Synthesis, structure, characterization and stabilization by trifluoroheteroarylalkenolates and pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1981","1990","10.1039/c1dt11668a","","","0.71073","MoKα","","0.0871","0.0561","","","0.1407","0.1512","","","","","","0.864","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017921","10.2154","0.0009","15.3306","0.0016","17.1146","0.0014","90","","95.429","0.007","90","","2668.3","0.4","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 F3 N Nb O5 S -","- C22 H33 F3 N Nb O5 S -","- C88 H132 F12 N4 Nb4 O20 S4 -","4","1","","Appel, Linus; Fiz, Raquel; Tyrra, Wieland; Mathur, Sanjay","New iso-propoxides, tert-butoxides and neo-pentoxides of niobium(v): Synthesis, structure, characterization and stabilization by trifluoroheteroarylalkenolates and pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1981","1990","10.1039/c1dt11668a","","","0.71073","MoKα","","0.067","0.0461","","","0.1135","0.1264","","","","","","0.925","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017922","8.6649","0.0006","13.2989","0.001","16.2517","0.0011","84.183","0.004","88.693","0.004","89.976","0.004","1862.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-[2-(diphenylphosphino)benzylidene]hydrazinethiosemicarbazine","","- C20 H18 N3 P S -","- C20 H18 N3 P S -","- C80 H72 N12 P4 S4 -","4","2","","Castiñeiras, Alfonso; Pedrido, Rosa","Aurophilicity in gold(I) thiosemicarbazone clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1363","1372","10.1039/c1dt11680k","","","0.71073","MoKα","","0.1387","0.0891","","","0.2345","0.2598","","","","","","1.067","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017923","8.382","0.0009","13.9983","0.0015","18.2378","0.0018","72.072","0.006","82.97","0.005","78.154","0.005","1988.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-[2-(diphenylphosphino)benzylidene]-N-methylhydrazinethiosemicarbazine","","- C21 H20 N3 P S -","- C21 H20 N3 P S -","- C84 H80 N12 P4 S4 -","4","2","","Castiñeiras, Alfonso; Pedrido, Rosa","Aurophilicity in gold(I) thiosemicarbazone clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1363","1372","10.1039/c1dt11680k","","","0.71073","MoKα","","0.1308","0.0734","","","0.1704","0.1935","","","","","","0.944","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017924","10.769","0.003","10.466","0.002","23.213","0.005","90","","92.877","0.004","90","","2613","1","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Au3 Cl3 N6 O4 P2 S2 -","- C44 H52 Au3 Cl3 N6 O4 P2 S2 -","- C88 H104 Au6 Cl6 N12 O8 P4 S4 -","2","0.5","","Castiñeiras, Alfonso; Pedrido, Rosa","Aurophilicity in gold(I) thiosemicarbazone clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1363","1372","10.1039/c1dt11680k","","","0.71073","MoKα","","0.0988","0.0626","","","0.1401","0.1597","","","","","","1.081","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017925","9.1233","0.0008","10.3094","0.0008","13.3409","0.0011","100.296","0.004","105.008","0.004","96.479","0.004","1175.64","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H20 Au2 Cl2 N3 P S -","- C21 H20 Au2 Cl2 N3 P S -","- C42 H40 Au4 Cl4 N6 P2 S2 -","2","1","","Castiñeiras, Alfonso; Pedrido, Rosa","Aurophilicity in gold(I) thiosemicarbazone clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1363","1372","10.1039/c1dt11680k","","","0.71073","MoKα","","0.0354","0.0263","","","0.0557","0.0581","","","","","","1.084","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017926","8.3288","0.0003","12.8219","0.0004","13.9669","0.0005","100.51","0.001","100.84","0.001","108.75","0.001","1339.05","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Mn2 N8 O9 -","- C24 H20 Mn2 N8 O9 -","- C48 H40 Mn4 N16 O18 -","2","1","","Zhang, Xiu-Mei; Wang, Yan-Qin; Li, Xiu-Bing; Gao, En-Qing","Manganese(ii) coordination polymers with mixed azide and pyridylbenzoate N-oxide ligands: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2026","2033","10.1039/c1dt11692d","","","0.71073","MoKα","","0.0277","0.0257","","","0.0753","0.0772","","","","","","1.056","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017927","11.5115","0.0005","21.5421","0.001","26.6893","0.001","90","","90","","90","","6618.5","0.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C60 H60 Mn4 N14 O25 -","- C60 H60 Mn4 N14 O25 -","- C240 H240 Mn16 N56 O100 -","4","","","Zhang, Xiu-Mei; Wang, Yan-Qin; Li, Xiu-Bing; Gao, En-Qing","Manganese(ii) coordination polymers with mixed azide and pyridylbenzoate N-oxide ligands: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2026","2033","10.1039/c1dt11692d","","","0.71073","MoKα","","0.0794","0.0594","","","0.1665","0.1878","","","","","","1.04","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017928","22.333","0.003","10.6408","0.0015","25.506","0.004","90","","111.481","0.002","90","","5640.2","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cl4 N O4 Pd Se -","- C25 H23 Cl4 N O4 Pd Se -","- C200 H184 Cl32 N8 O32 Pd8 Se8 -","8","1","","Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Bharat; Kumar, Dinesh; Singh, Ajai Kumar","Palladium(ii)-selenated Schiff base complex catalyzed Suzuki-Miyaura coupling: Dependence of efficiency on alkyl chain length of ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1931","1937","10.1039/c1dt11695a","","","0.71073","MoKα","","0.0789","0.063","","","0.1733","0.1835","","","","","","1.043","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017929","8.6051","0.0003","8.4972","0.0004","17.8843","0.001","90","","90","","90","","1307.69","0.11","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-diphenylpiperazine","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","0.5","","Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter","1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2176","2186","10.1039/c1dt11696g","","x-ray","0.71073","MoKα","","0.0704","0.0425","","","0.1082","0.1259","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017930","11.0562","0.0003","16.4121","0.0006","11.9365","0.0004","90","","98.862","0.002","90","","2140.09","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis(4-nitrosophenyl)piperazine","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C96 H96 N24 O12 -","6","1.5","","Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter","1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2176","2186","10.1039/c1dt11696g","","x-ray","0.71073","MoKα","","0.0793","0.0449","","","0.1064","0.1263","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017931","17.4121","0.0006","8.7721","0.0004","16.3489","0.0007","90","","114.62","0.002","90","","2270.13","0.17","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[my2-(1,4-bis(4-nitrosophenyl)piperazin-N,N)bis (dichlorido-(eta5-pentamethyl-cyclopentadienyl)-iridium(III))]'","","- C42 H60 Cl4 Ir2 N6 O4 -","- C42 H60 Cl4 Ir2 N6 O4 -","- C84 H120 Cl8 Ir4 N12 O8 -","2","0.5","","Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter","1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2176","2186","10.1039/c1dt11696g","","x-ray","0.71073","MoKα","","0.0384","0.0248","","","0.0495","0.0542","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017932","15.666","0.0004","17.5276","0.0005","23.5115","0.0006","101.118","0.001","95.346","0.002","97.882","0.002","6227.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","[my2-(1,4-bis(4-nitrosophenyl)piperazin-N,N)bis (dichlorido-(eta5-pentamethyl-cyclopentadienyl)-iridium(III))]","","- C41 H51 Cl19 Ir2 N4 O2 -","- C40.5 H50.5 Cl17.5 Ir2 N4 O2 -","- C162 H202 Cl70 Ir8 N16 O8 -","4","2","","Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter","1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2176","2186","10.1039/c1dt11696g","","x-ray","0.71073","MoKα","","0.0667","0.0496","","","0.1204","0.1299","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017933","17.6768","0.0009","8.9118","0.0004","16.3152","0.0008","90","","114.758","0.006","90","","2333.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[my2-(1,4-bis(4-nitrosophenyl)piperazin-N,N)bis (dibromido-(eta5-pentamethyl-cyclopentadienyl)-iridium(III))]","","- C42 H60 Br4 Ir2 N6 O4 -","- C42 H60 Br4 Ir2 N6 O4 -","- C84 H120 Br8 Ir4 N12 O8 -","2","0.5","","Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter","1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2176","2186","10.1039/c1dt11696g","","x-ray","0.71073","MoKα","","0.0778","0.0381","","","0.0575","0.0614","","","","","","0.801","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017934","27.9917","0.0012","11.4311","0.0008","14.4137","0.0008","90","","101.264","0.003","90","","4523.2","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[my2-(1,4-bis(4-nitrosophenyl)piperazin-N,N)bis ((eta5-pentamethyl-cyclopentadienyl)-diiodido-iridium(III))]","","- C37 H48 Cl2 I4 Ir2 N4 O2 -","- C36 H46 I4 Ir2 N4 O2 -","- C144 H184 I16 Ir8 N16 O8 -","4","0.5","","Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter","1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2176","2186","10.1039/c1dt11696g","","x-ray","0.71073","MoKα","","0.0643","0.0394","","","0.0713","0.0779","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017935","17.5069","0.0004","8.6876","0.0002","16.3948","0.0004","90","","114.548","0.001","90","","2268.15","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[my2-(1,4-bis(4-nitrosophenyl)piperazin-N,N)bis (dichlorido-(eta5-pentamethyl-cyclopentadienyl)-rhodium(III))]","","- C42 H60 Cl4 N6 O4 Rh2 -","- C42 H60 Cl4 N6 O4 Rh2 -","- C84 H120 Cl8 N12 O8 Rh4 -","2","0.5","","Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter","1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2176","2186","10.1039/c1dt11696g","","x-ray","0.71073","MoKα","","0.0523","0.0325","","","0.0644","0.0712","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017936","8.36232","0.0001","9.50201","0.0001","16.9992","0.0003","90","","90","","90","","1350.74","0.03","290","2","290","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl4 K O2 Rh S2 -","- C4 H12 Cl4 K O2 Rh S2 -","- C16 H48 Cl16 K4 O8 Rh4 S8 -","4","1","","Abbasi, Alireza; Geranmayeh, Shokoofeh; Skripkin, Mikhail Y.; Eriksson, Lars","Potassium ion-mediated non-covalent bonded coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","850","859","10.1039/c1dt11698c","","","0.71073","MoKα","","0.0201","0.0194","","","0.045","0.0452","","","","","","1.127","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017937","12.9314","0.0002","8.9313","0.0001","27.9106","0.0003","90","","108.907","0.001","90","","3049.59","0.07","290","2","290","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H15 Cl4 K O3.5 Rh S2 -","- C4 H15 Cl4 K O3.5 Rh S2 -","- C32 H120 Cl32 K8 O28 Rh8 S16 -","8","2","","Abbasi, Alireza; Geranmayeh, Shokoofeh; Skripkin, Mikhail Y.; Eriksson, Lars","Potassium ion-mediated non-covalent bonded coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","850","859","10.1039/c1dt11698c","","","0.71073","MoKα","","0.0383","0.0261","","","0.0538","0.0553","","","","","","0.965","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017938","12.7053","0.0003","7.8217","0.0001","15.2964","0.0003","90","","111.421","0.002","90","","1415.1","0.05","290","2","290","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl4 K O2.25 Rh S2 -","- C4 H12 Cl4 K O2.25 Rh S2 -","- C16 H48 Cl16 K4 O9 Rh4 S8 -","4","1","","Abbasi, Alireza; Geranmayeh, Shokoofeh; Skripkin, Mikhail Y.; Eriksson, Lars","Potassium ion-mediated non-covalent bonded coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","850","859","10.1039/c1dt11698c","","","0.71073","MoKα","","0.0357","0.028","","","0.0644","0.0666","","","","","","1.062","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017939","10.4102","0.0006","12.7755","0.0005","13.0729","0.0006","90","","95.987","0.001","90","","1729.15","0.14","93","2","93","2","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C12 H26 Cl Co N4 O6 -","- C12 H26 Cl Co N4 O6 -","- C48 H104 Cl4 Co4 N16 O24 -","4","2","","Wilson-Coutts, Sarah M; Browne, Julian M. W.; Marsh, Liesl C.; Polson, Matthew I. J.; Hartshorn, Richard M.","High diastereoselectivity in borohydride reductions of coordinated imines.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1591","1596","10.1039/c1dt11704a","","","0.71073","MoKα","","0.0374","0.0349","","","0.0711","0.0723","","","","","","1.07","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017940","10.2882","0.0017","12.738","0.002","13.267","0.002","90","","96.273","0.006","90","","1728.2","0.5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl Co N4 O6 -","- C12 H28 Cl Co N4 O6 -","- C48 H112 Cl4 Co4 N16 O24 -","4","1","","Wilson-Coutts, Sarah M; Browne, Julian M. W.; Marsh, Liesl C.; Polson, Matthew I. J.; Hartshorn, Richard M.","High diastereoselectivity in borohydride reductions of coordinated imines.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1591","1596","10.1039/c1dt11704a","","","0.71073","MoKα","","0.0722","0.048","","","0.1092","0.1188","","","","","","0.961","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017941","7.5702","0.0012","21.16","0.003","12.3205","0.0019","90","","96.93","0.008","90","","1959.1","0.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cl Co N4 O6 -","- C12 H28 Cl Co N4 O6 -","- C48 H112 Cl4 Co4 N16 O24 -","4","1","","Wilson-Coutts, Sarah M; Browne, Julian M. W.; Marsh, Liesl C.; Polson, Matthew I. J.; Hartshorn, Richard M.","High diastereoselectivity in borohydride reductions of coordinated imines.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1591","1596","10.1039/c1dt11704a","","","0.71073","MoKα","","0.1688","0.1291","","","0.3195","0.3428","","","","","","1.092","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017942","13.2681","0.0014","12.0341","0.0012","21.837","0.002","90","","94.78","0.005","90","","3474.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 N4 O4 Si -","- C35 H52 N4 O4 Si -","- C140 H208 N16 O16 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Double N-H bond activation of N,N'-bis-substituted hydrazines with stable N-heterocyclic silylene.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1529","1533","10.1039/c1dt11708d","","","0.56086","AgKα","","0.06","0.0456","","","0.1119","0.1181","","","","","","1.099","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017943","11.4828","0.0008","12.0258","0.0009","26.1609","0.0019","90","","94.746","0.002","90","","3600.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39.12 H55.24 N4 O Si -","- C39.12 H55.24 N4 O Si -","- C156.48 H220.96 N16 O4 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Double N-H bond activation of N,N'-bis-substituted hydrazines with stable N-heterocyclic silylene.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1529","1533","10.1039/c1dt11708d","","","0.71073","MoKα","","0.0452","0.0367","","","0.0908","0.0955","","","","","","1.042","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017944","13.816","0.002","14.387","0.002","15.751","0.003","90","","90","","90","","3130.8","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 N4 O2 Si -","- C33 H48 N4 O2 Si -","- C132 H192 N16 O8 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Double N-H bond activation of N,N'-bis-substituted hydrazines with stable N-heterocyclic silylene.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1529","1533","10.1039/c1dt11708d","","","0.71073","MoKα","","0.0461","0.0393","","","0.0873","0.0914","","","","","","1.023","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017945","14.8678","0.0019","8.9329","0.0009","17.2269","0.0018","90","","112.879","0.008","90","","2108","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl2 N P Pt -","- C21 H20 Cl2 N P Pt -","- C84 H80 Cl8 N4 P4 Pt4 -","4","1","","Dell'Amico, Daniela Belli; Labella, Luca; Marchetti, Fabio; Samaritani, Simona","A convenient route to dinuclear chloro-bridged platinum(II) derivatives via nitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1389","1396","10.1039/c1dt11709b","","","0.71073","MoKα","","0.0593","0.039","","","0.0853","0.0935","","","","","","1.029","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017946","9.1034","0.001","9.8626","0.0016","12.6092","0.0012","80.004","0.009","75.284","0.007","79.865","0.01","1068","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H19 Cl N O3 P Pt -","- C21 H19 Cl N O3 P Pt -","- C42 H38 Cl2 N2 O6 P2 Pt2 -","2","1","","Dell'Amico, Daniela Belli; Labella, Luca; Marchetti, Fabio; Samaritani, Simona","A convenient route to dinuclear chloro-bridged platinum(II) derivatives via nitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1389","1396","10.1039/c1dt11709b","","","0.71079","MoKα","","0.0554","0.0389","","","0.0822","0.0885","","","","","","1.033","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017947","8.91","0.002","9.699","0.001","10.987","0.002","96.04","0.01","106","0.01","105.8","0.01","861.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl2 O6 P2 Pt2 -","- C36 H28 Cl2 O6 P2 Pt2 -","- C36 H28 Cl2 O6 P2 Pt2 -","1","0.5","","Dell'Amico, Daniela Belli; Labella, Luca; Marchetti, Fabio; Samaritani, Simona","A convenient route to dinuclear chloro-bridged platinum(II) derivatives via nitrile complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1389","1396","10.1039/c1dt11709b","","","0.71073","MoKα","","0.0459","0.038","","","0.0898","0.0934","","","","","","1.062","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017948","14.911","0.0007","15.6376","0.0007","17.6075","0.0008","74.746","0.002","69.633","0.002","80.528","0.002","3701.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","AO-097","katz19","","- C77 H85 Ir4 O15 P -","- C77 H85 Ir4 O15 P -","- C154 H170 Ir8 O30 P2 -","2","1","","Okrut, Alexander; Gazit, Oz; Silva, Namal de; Nichiporuk, Rita; Solovyov, Andrew; Katz, Alexander","Stabilization of coordinatively unsaturated Ir(4) clusters with bulky ligands: a comparative study of chemical and mechanical effects.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2091","2099","10.1039/c1dt11734c","","","0.71073","MoKα","","0.0187","0.0165","","","0.0396","0.0411","","","","","","1.08","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7017949","12.4374","0.0003","77.8314","0.0017","21.2377","0.0005","90","","99.614","0.001","90","","20269.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AO_050c","katz16","","- C210 H258 Cl9 Ir4 O21 P3 -","- C210 H258 Cl9 Ir4 O21 P3 -","- C840 H1032 Cl36 Ir16 O84 P12 -","4","1","","Okrut, Alexander; Gazit, Oz; Silva, Namal de; Nichiporuk, Rita; Solovyov, Andrew; Katz, Alexander","Stabilization of coordinatively unsaturated Ir(4) clusters with bulky ligands: a comparative study of chemical and mechanical effects.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2091","2099","10.1039/c1dt11734c","","","0.71073","MoKα","","0.109","0.0625","","","0.0977","0.1119","","","","","","1.011","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7017950","17.345","0.01","7.712","0.004","6.126","0.003","90","","101.399","0.006","90","","803.3","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C2 H2 Au Cl2 K N2 O -","- C2 H2 Au Cl2 K N2 O -","- C8 H8 Au4 Cl8 K4 N8 O4 -","4","0.5","","Ovens, Jeffrey S.; Truong, Kimberley N.; Leznoff, Daniel B.","Structural organization and dimensionality at the hands of weak intermolecular Au···Au, Au···X and X···X (X = Cl, Br, I) interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1345","1351","10.1039/c1dt11741f","","","0.71073","MoKα","","0.0304","0.0193","","0.033","0.027","0.0269","","","","","","0.9723","","","","has coordinates","188927","2020-10-21","18:00:00",""
"7017951","21.332","0.004","4.2229","0.0009","13.474","0.003","90","","117.087","0.002","90","","1080.6","0.4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C2 H4 Au Br2 K N2 O2 -","- C2 H4 Au Br2 K N2 O2 -","- C8 H16 Au4 Br8 K4 N8 O8 -","4","1","","Ovens, Jeffrey S.; Truong, Kimberley N.; Leznoff, Daniel B.","Structural organization and dimensionality at the hands of weak intermolecular Au···Au, Au···X and X···X (X = Cl, Br, I) interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1345","1351","10.1039/c1dt11741f","","","0.71073","MoKα","","0.0563","0.0478","","0.0813","0.0655","0.0643","","","","","","1.1468","","","","has coordinates,has disorder","188927","2020-10-21","18:00:00",""
"7017952","4.3182","0.0003","24.4306","0.0018","13.312","0.001","90","","90.85","0.001","90","","1404.21","0.18","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H Au1.5 I3 K1.5 N3 O0.5 -","- C3 Au1.5 I3 K1.5 N3 O0.5 -","- C12 Au6 I12 K6 N12 O2 -","4","1","","Ovens, Jeffrey S.; Truong, Kimberley N.; Leznoff, Daniel B.","Structural organization and dimensionality at the hands of weak intermolecular Au···Au, Au···X and X···X (X = Cl, Br, I) interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1345","1351","10.1039/c1dt11741f","","","0.71073","MoKα","","0.0622","0.0368","","0.0566","0.046","0.0448","","","","","","0.9847","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017953","8.1153","0.0016","10.1791","0.0016","12.875","0.003","70.416","0.002","88.834","0.002","70.991","0.001","942.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H2 Au3 Br2 K3 N6 O -","- C6 Au3 Br2 K3 N6 O -","- C12 Au6 Br4 K6 N12 O2 -","2","1","","Ovens, Jeffrey S.; Truong, Kimberley N.; Leznoff, Daniel B.","Structural organization and dimensionality at the hands of weak intermolecular Au···Au, Au···X and X···X (X = Cl, Br, I) interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1345","1351","10.1039/c1dt11741f","","","0.71073","MoKα","","0.054","0.0337","","0.0644","0.0442","0.0436","","","","","","1.0811","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017954","7.3196","0.0006","9.8319","0.0008","11.5992","0.0009","99.936","0.001","92.457","0.001","111.249","0.001","761.26","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H4 Au5 I2 K5 N10 O2 -","- C10 Au5 I2 K5 N10 O2 -","- C10 Au5 I2 K5 N10 O2 -","1","0.5","","Ovens, Jeffrey S.; Truong, Kimberley N.; Leznoff, Daniel B.","Structural organization and dimensionality at the hands of weak intermolecular Au···Au, Au···X and X···X (X = Cl, Br, I) interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1345","1351","10.1039/c1dt11741f","","","0.71073","MoKα","","0.0503","0.0399","","0.0675","0.0556","0.0549","","","","","","1.1557","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017955","10.1989","0.0019","35.067","0.007","12.943","0.003","90","","90","","90","","4629","1.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C15 H40 Cu N4 O10.5 P -","- C15 H40 Cu N4 O10.5 P -","- C120 H320 Cu8 N32 O84 P8 -","8","1","","Ferdani, Riccardo; Stigers, Dannon J.; Fiamengo, Ashley L.; Wei, Lihui; Li, Barbara T. Y.; Golen, James A.; Rheingold, Arnold L.; Weisman, Gary R.; Wong, Edward H.; Anderson, Carolyn J.","Synthesis, Cu(ii) complexation, (64)Cu-labeling and biological evaluation of cross-bridged cyclam chelators with phosphonate pendant arms.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1938","1950","10.1039/c1dt11743b","","","0.71073","MoKα","","0.0568","0.0484","","","0.135","0.1392","","","","","","1.157","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7017956","5.312","0.003","5.312","0.003","32.66","0.02","90","","90","","120","","798.1","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C Ag F3 O3 S -","- C Ag F3 O3 S -","- C6 Ag6 F18 O18 S6 -","6","0.333333","","Grochala, Wojciech; Cyrański, Michał Ksawery; Derzsi, Mariana; Michałowski, Tomasz; Malinowski, Przemysław J; Mazej, Zoran; Kurzydłowski, Dominik; Koźmiński, Wiktor; Budzianowski, Armand; Leszczyński, Piotr J","Crystal and electronic structure, lattice dynamics and thermal properties of Ag(i)(SO(3))R (R = F, CF(3)) Lewis acids in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2034","2047","10.1039/c1dt11747e","","","0.71073","MoKα","","0.101","0.0409","","","0.0534","0.0594","","","","","","0.773","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017957","5.4128","0.001","8.1739","0.0014","7.5436","0.0017","90","","94.599","0.018","90","","332.68","0.11","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ag F O3 S -","- Ag F O3 S -","- Ag4 F4 O12 S4 -","4","1","","Grochala, Wojciech; Cyrański, Michał Ksawery; Derzsi, Mariana; Michałowski, Tomasz; Malinowski, Przemysław J; Mazej, Zoran; Kurzydłowski, Dominik; Koźmiński, Wiktor; Budzianowski, Armand; Leszczyński, Piotr J","Crystal and electronic structure, lattice dynamics and thermal properties of Ag(i)(SO(3))R (R = F, CF(3)) Lewis acids in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2034","2047","10.1039/c1dt11747e","","","0.71073","MoKα","","0.0625","0.0611","","","0.167","0.1688","","","","","","1.131","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017958","10.309","0.005","15.143","0.007","14.512","0.007","90","","96.715","0.007","90","","2249.9","1.9","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cp*Ir(mu-NtBu)TiCp2","","","- C24 H34 Ir N Ti -","- C24 H34 Ir N Ti -","- C96 H136 Ir4 N4 Ti4 -","4","1","","Curley, John J.; Bergman, Robert G.; Tilley, T. Don","Preparation and physical properties of early-late heterobimetallic compounds featuring Ir-M bonds (M = Ti, Zr, Hf).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","192","200","10.1039/c1dt11753j","","","0.71073","MoKα","","0.0948","0.0599","","","0.1334","0.1475","","","","","","1.092","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017959","14.594","0.003","15.259","0.003","10.423","0.002","90","","96.64","0.03","90","","2305.5","0.8","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","Cp*Ir(mu-NtBu)HfCp2","","","- C24 H34 Hf Ir N -","- C24 H34 Hf Ir N -","- C96 H136 Hf4 Ir4 N4 -","4","1","","Curley, John J.; Bergman, Robert G.; Tilley, T. Don","Preparation and physical properties of early-late heterobimetallic compounds featuring Ir-M bonds (M = Ti, Zr, Hf).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","192","200","10.1039/c1dt11753j","","","0.71073","MoKα","","0.0465","0.0375","","","0.0759","0.0833","","","","","","1.065","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017960","9.158","0.0003","19.2669","0.0006","15.2292","0.0005","90","","100.551","0.002","90","","2641.7","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Cp*Ir(mu-NtBu)(mu-H)ZrCp2OTf","","","- C25 H35 F3 Ir N O3 S Zr -","- C25 H35 F3 Ir N O3 S Zr -","- C100 H140 F12 Ir4 N4 O12 S4 Zr4 -","4","1","","Curley, John J.; Bergman, Robert G.; Tilley, T. Don","Preparation and physical properties of early-late heterobimetallic compounds featuring Ir-M bonds (M = Ti, Zr, Hf).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","192","200","10.1039/c1dt11753j","","","0.71073","MoKα","","0.02","0.0157","","","0.0304","0.032","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017961","32.6021","0.0011","32.6021","0.0011","14.0691","0.0005","90","","90","","120","","12950.5","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","Cp*Ir(mu-NtBu)(mu-N3Ph)HfCp2","","","- C23.25 H30 Hf0.75 Ir0.75 N3 -","- C23.265 H30.015 Hf0.75 Ir0.75 N3 -","- C558.36 H720.36 Hf18 Ir18 N72 -","24","1.33333","","Curley, John J.; Bergman, Robert G.; Tilley, T. Don","Preparation and physical properties of early-late heterobimetallic compounds featuring Ir-M bonds (M = Ti, Zr, Hf).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","192","200","10.1039/c1dt11753j","","","0.71073","MoKα","","0.0391","0.0242","","","0.0375","0.0408","","","","","","1.034","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017962","13.3313","0.0001","19.955","0.0002","14.1647","0.0001","90","","109.127","0.0004","90","","3560.16","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 O5 U -","- C38 H44 N2 O5 U -","- C152 H176 N8 O20 U4 -","4","2","","Lombardo, Giuseppe M.; Thompson, Amber L.; Ballistreri, Francesco P.; Pappalardo, Andrea; Sfrazzetto, Giuseppe Trusso; Tomaselli, Gaetano A.; Toscano, Rosa M.; Punzo, Francesco","An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1951","1960","10.1039/c1dt11758k","","","0.71073","MoKα","","0.038","0.0311","","0.0768","0.0695","0.0768","","","","","","0.9229","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017963","11.1795","0.0001","19.1383","0.0002","13.0194","0.0001","90","","105.396","0.0005","90","","2685.62","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O5 U -","- C30 H28 N2 O5 U -","- C120 H112 N8 O20 U4 -","4","2","","Lombardo, Giuseppe M.; Thompson, Amber L.; Ballistreri, Francesco P.; Pappalardo, Andrea; Sfrazzetto, Giuseppe Trusso; Tomaselli, Gaetano A.; Toscano, Rosa M.; Punzo, Francesco","An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1951","1960","10.1039/c1dt11758k","","","0.71073","MoKα","","0.0394","0.0359","","0.1061","0.0999","0.1061","","","","","","1.0051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017964","14.895","0.003","15.229","0.003","15.55","0.003","90","","103.64","0.03","90","","3427.8","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H64 Cl4 N4 Ni2 O2 -","- C62 H64 Cl4 N4 Ni2 O2 -","- C124 H128 Cl8 N8 Ni4 O4 -","2","0.5","","Hou, Xiaohua; Cai, Zhengguo; Chen, Xia; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","N-(5,6,7-Trihydroquinolin-8-ylidene)-2-benzhydrylbenzenaminonickel halide complexes: synthesis, characterization and catalytic behavior towards ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1617","1623","10.1039/c1dt11766a","","","0.71073","MoKα","","","0.0641","","","0.1859","0.1924","","","","","","1.147","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017965","16.059","","17.764","","15.868","","90","","108.03","","90","","4304.41","","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H82 Cl4 N4 Ni2 O2 -","- C88 H82 Cl4 N4 Ni2 O2 -","- C176 H164 Cl8 N8 Ni4 O4 -","2","0.5","","Hou, Xiaohua; Cai, Zhengguo; Chen, Xia; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","N-(5,6,7-Trihydroquinolin-8-ylidene)-2-benzhydrylbenzenaminonickel halide complexes: synthesis, characterization and catalytic behavior towards ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1617","1623","10.1039/c1dt11766a","","","0.71073","MoKα","","","0.103","","","0.2662","0.292","","","","","","1.049","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017966","12.444","0.004","18.724","0.006","12.638","0.004","90","","116.42","0.004","90","","2637.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 N4 Pb2 Si2 -","- C52 H80 N4 Pb2 Si2 -","- C104 H160 N8 Pb4 Si4 -","2","0.5","","Yang, Dongming; Guo, Jianmei; Wu, Haishun; Ding, Yuqiang; Zheng, Wenjun","Synthesis and structural characterization of two-coordinate low-valent 14-group metal complexes bearing bulky bis(amido)silane ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2187","2194","10.1039/c1dt11774b","","","0.71073","MoKα","","0.0403","0.0259","","","0.0562","0.0593","","","","","","0.944","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017967","17.83","0.04","8.55","0.02","36.69","0.08","90","","90","","90","","5593","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H40 N2 Si Sn -","- C26 H40 N2 Si Sn -","- C208 H320 N16 Si8 Sn8 -","8","2","","Yang, Dongming; Guo, Jianmei; Wu, Haishun; Ding, Yuqiang; Zheng, Wenjun","Synthesis and structural characterization of two-coordinate low-valent 14-group metal complexes bearing bulky bis(amido)silane ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2187","2194","10.1039/c1dt11774b","","","0.71073","MoKα","","0.1125","0.0762","","","0.188","0.205","","","","","","1.045","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017968","13.449","0.004","10.478","0.004","21.692","0.007","90","","90.705","0.005","90","","3056.6","1.8","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C56 H90 Ge2 N4 O3 Si2 -","- C56 H80 Ge2 N4 O3 Si2 -","- C112 H160 Ge4 N8 O6 Si4 -","2","0.5","","Yang, Dongming; Guo, Jianmei; Wu, Haishun; Ding, Yuqiang; Zheng, Wenjun","Synthesis and structural characterization of two-coordinate low-valent 14-group metal complexes bearing bulky bis(amido)silane ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2187","2194","10.1039/c1dt11774b","","","0.71073","MoKα","","0.1385","0.0739","","","0.1946","0.231","","","","","","0.872","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017969","12.4575","0.001","12.4575","0.001","43.426","0.007","90","","90","","90","","6739.3","1.3","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H44 N2 Pb Si -","- C36 H44 N2 Pb Si -","- C288 H352 N16 Pb8 Si8 -","8","1","","Yang, Dongming; Guo, Jianmei; Wu, Haishun; Ding, Yuqiang; Zheng, Wenjun","Synthesis and structural characterization of two-coordinate low-valent 14-group metal complexes bearing bulky bis(amido)silane ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2187","2194","10.1039/c1dt11774b","","","0.71073","MoKα","","0.0946","0.0618","","","0.1129","0.1233","","","","","","1.063","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017970","10.8195","0.0015","18.818","0.003","19.24","0.003","90","","103.039","0.002","90","","3816.3","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Ge N2 O Si -","- C40 H52 Ge N2 O Si -","- C160 H208 Ge4 N8 O4 Si4 -","4","1","","Yang, Dongming; Guo, Jianmei; Wu, Haishun; Ding, Yuqiang; Zheng, Wenjun","Synthesis and structural characterization of two-coordinate low-valent 14-group metal complexes bearing bulky bis(amido)silane ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2187","2194","10.1039/c1dt11774b","","","0.71073","MoKα","","0.0888","0.0543","","","0.1317","0.1495","","","","","","1.026","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017971","9.586","0.004","11.37","0.004","20.412","0.008","96.33","0.007","93.891","0.007","103.119","0.007","2143.5","1.4","186","2","186","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H39 Cl2 Cu N2 O P2 -","- C50 H39 Cl2 Cu N2 O P2 -","- C100 H78 Cl4 Cu2 N4 O2 P4 -","2","1","","Liu, Xiaohui; Sun, Wei; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Wang, Lixiang; Cheng, Yanxiang","Neutral cuprous complexes as ratiometric oxygen gas sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1312","1319","10.1039/c1dt11777g","","","0.71073","MoKα","","0.1275","0.0695","","","0.1498","0.1819","","","","","","1.001","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017972","20.386","0.003","21.293","0.003","9.1912","0.0011","90","","90","","90","","3989.7","0.9","186","2","186","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C49 H39 Cu N2 P2 -","- C49 H39 Cu N2 P2 -","- C196 H156 Cu4 N8 P8 -","4","1","","Liu, Xiaohui; Sun, Wei; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Wang, Lixiang; Cheng, Yanxiang","Neutral cuprous complexes as ratiometric oxygen gas sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1312","1319","10.1039/c1dt11777g","","","0.71073","MoKα","","0.1003","0.0581","","","0.0896","0.103","","","","","","1.006","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017973","10.9902","0.0008","12.2055","0.0008","19.3749","0.0013","75.669","0.001","81.144","0.001","66.097","0.001","2297.9","0.3","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H43 Cl2 Cu N2 P2 -","- C54 H43 Cl2 Cu N2 P2 -","- C108 H86 Cl4 Cu2 N4 P4 -","2","1","","Liu, Xiaohui; Sun, Wei; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Wang, Lixiang; Cheng, Yanxiang","Neutral cuprous complexes as ratiometric oxygen gas sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1312","1319","10.1039/c1dt11777g","","","0.71073","MoKα","","0.0719","0.0549","","","0.1441","0.1595","","","","","","1.003","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017974","11.7152","0.0009","12.1017","0.0009","16.7936","0.0012","74.379","0.001","77.36","0.001","70.718","0.001","2142.1","0.3","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H43 Cu N2 O2 P2 -","- C54 H39 Cu N2 O2 P2 -","- C108 H78 Cu2 N4 O4 P4 -","2","1","","Liu, Xiaohui; Sun, Wei; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Wang, Lixiang; Cheng, Yanxiang","Neutral cuprous complexes as ratiometric oxygen gas sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1312","1319","10.1039/c1dt11777g","","","0.71073","MoKα","","0.0899","0.0634","","","0.1519","0.1707","","","","","","1.003","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017975","24.18","0.005","15.012","0.003","19.798","0.004","90","","100.55","0.03","90","","7065","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Gd N4.5 O9 -","- C32.5 H44.5 Gd N5 O9 -","- C260 H356 Gd8 N40 O72 -","8","1","","Mei, Xue-Lan; Ma, Yue; Li, Li-Cun; Liao, Dai-Zheng","Ligand field-tuned single-molecule magnet behaviour of 2p-4f complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","505","511","10.1039/c1dt11795e","","","0.71073","MoKα","","0.0734","0.0501","","","0.1053","0.1151","","","","","","1.034","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017976","24.306","0.005","14.939","0.003","19.812","0.004","90","","100.5","0.03","90","","7073","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Dy N4.5 O9 -","- C32.5 H44.5 Dy N5 O9 -","- C260 H356 Dy8 N40 O72 -","8","1","","Mei, Xue-Lan; Ma, Yue; Li, Li-Cun; Liao, Dai-Zheng","Ligand field-tuned single-molecule magnet behaviour of 2p-4f complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","505","511","10.1039/c1dt11795e","","","0.71073","MoKα","","0.0475","0.0353","","","0.0835","0.0897","","","","","","1.063","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017977","30.036","0.006","12.799","0.003","19.8","0.004","90","","102.4","0.03","90","","7434","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H36 Dy F9 N3 O8 -","- C30.5 H34.827 Dy F9 N3 O8 -","- C244 H278.616 Dy8 F72 N24 O64 -","8","1","","Mei, Xue-Lan; Ma, Yue; Li, Li-Cun; Liao, Dai-Zheng","Ligand field-tuned single-molecule magnet behaviour of 2p-4f complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","505","511","10.1039/c1dt11795e","","","0.71073","MoKα","","0.0415","0.0338","","","0.0823","0.0873","","","","","","1.094","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017978","10.8926","0.0006","11.0691","0.0005","14.317","0.0008","99.984","0.002","109.274","0.002","95.546","0.002","1582.65","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H22 B2 F15 N O2 -","- C31 H22 B2 F15 N O2 -","- C62 H44 B4 F30 N2 O4 -","2","1","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.0923","0.0484","","","0.1221","0.1476","","","","","","0.905","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017979","11.2901","0.0007","16.2725","0.0011","17.1597","0.0012","81.189","0.003","74.757","0.003","88.279","0.004","3005.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 B F15 N2 -","- C32 H18 B F15 N2 -","- C128 H72 B4 F60 N8 -","4","2","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.1117","0.0632","","","0.1657","0.194","","","","","","1.042","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017980","9.2565","0.0009","13.5871","0.0014","14.3235","0.0015","69.707","0.004","83.127","0.005","79.205","0.005","1656.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 B F15 N2 O -","- C32 H16 B F15 N2 O -","- C64 H32 B2 F30 N4 O2 -","2","1","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.0559","0.0413","","","0.1214","0.1278","","","","","","1.119","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017981","9.8877","0.001","11.1457","0.0012","12.4221","0.0012","74.787","0.005","70.681","0.006","77.611","0.005","1234.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H5 B F18 N2 -","- C24 H5 B F18 N2 -","- C48 H10 B2 F36 N4 -","2","1","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.1154","0.0448","","","0.0864","0.1082","","","","","","0.958","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017982","9.804","0.0003","9.9703","0.0004","14.3432","0.0005","90.24","0.002","109","0.002","113.8","0.002","1197.93","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H8 B F15 N2 -","- C27 H8 B F15 N2 -","- C54 H16 B2 F30 N4 -","2","1","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.0436","0.0341","","","0.0864","0.093","","","","","","0.893","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017983","10.2702","0.0003","31.6155","0.001","12.3047","0.0004","90","","92.436","0.002","90","","3991.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H5 B Cl F13 N2 -","- C18 H5 B Cl F13 N2 -","- C144 H40 B8 Cl8 F104 N16 -","8","2","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.0637","0.0413","","","0.0918","0.1024","","","","","","1.024","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017984","9.9317","0.0004","17.7746","0.0008","11.337","0.0006","90","","97.843","0.002","90","","1982.62","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H8 B Cl F10 N2 -","- C21 H8 B Cl F10 N2 -","- C84 H32 B4 Cl4 F40 N8 -","4","1","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.0476","0.0352","","","0.0884","0.0934","","","","","","0.999","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017985","8.4351","0.0016","10.315","0.0019","10.496","0.002","100.424","0.009","91.554","0.009","109.413","0.008","843.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 B F10 N2 -","- C18 H9 B F10 N2 -","- C36 H18 B2 F20 N4 -","2","1","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.0659","0.0396","","","0.1085","0.121","","","","","","1.067","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017986","24.9904","0.0018","13.1642","0.0011","11.2738","0.0008","90","","91.412","0.004","90","","3707.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 B Cl F10 N2 -","- C18 H8 B Cl F10 N2 -","- C144 H64 B8 Cl8 F80 N16 -","8","2","","Caputo, Christopher B.; Geier, Stephen J.; Winkelhaus, Daniel; Mitzel, Norbert W.; Vukotic, V. Nicolas; Loeb, Stephen J.; Stephan, Douglas W.","Reactions of substituted pyridines with electrophilic boranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2131","2139","10.1039/c1dt11820j","","","0.71073","MoKα","","0.1876","0.0585","","","0.0884","0.1254","","","","","","0.945","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017987","12.488","0.004","12.488","0.004","12.336","0.007","90","","90","","120","","1666.1","1.2","333","2","333","2","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C48 H74 Eu N11 O25 -","- C48 H66 Eu N11.04 O25.96 -","- C48 H66 Eu N11.04 O25.96 -","1","0.166667","","Zheng, Xiao-Dan; Zhang, Mei; Jiang, Long; Lu, Tong-Bu","A pair of 3D homochiral metal-organic frameworks: spontaneous resolution, single-crystal-to-single-crystal transformation and selective adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1786","1791","10.1039/c1dt11825k","","","0.71073","MoKα","","0.1409","0.1138","","","0.2296","0.2472","","","","","","1.018","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017988","12.139","0.002","21.571","0.004","12.611","0.002","90","","90.351","0.004","90","","3302.1","1","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H94 Eu N11 O35 -","- C48 H66 Eu N11 O35 -","- C96 H132 Eu2 N22 O70 -","2","1","","Zheng, Xiao-Dan; Zhang, Mei; Jiang, Long; Lu, Tong-Bu","A pair of 3D homochiral metal-organic frameworks: spontaneous resolution, single-crystal-to-single-crystal transformation and selective adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1786","1791","10.1039/c1dt11825k","","","0.71073","MoKα","","0.0527","0.0468","","","0.1261","0.134","","","","","","1.081","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017989","12.1858","0.0008","21.5773","0.0013","12.5587","0.0007","90","","90.406","0.002","90","","3302.1","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H94 Eu N11 O35 -","- C48 H66 Eu N11 O35 -","- C96 H132 Eu2 N22 O70 -","2","1","","Zheng, Xiao-Dan; Zhang, Mei; Jiang, Long; Lu, Tong-Bu","A pair of 3D homochiral metal-organic frameworks: spontaneous resolution, single-crystal-to-single-crystal transformation and selective adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1786","1791","10.1039/c1dt11825k","","","0.71073","MoKα","","0.0679","0.0599","","","0.1527","0.1655","","","","","","1.115","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017990","45.237","0.002","18.6322","0.001","23.8739","0.0013","90","","90","","90","","20122.5","1.8","150","2","150","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C204 H118 Cu6 F36 N24 P6 S6 -","- C204 H118 Cu6 F36 N24 P6 S6 -","- C816 H472 Cu24 F144 N96 P24 S24 -","4","0.5","","Cox, Nicola M.; Harding, Lindsay P.; Jones, Jennifer E.; Pope, Simon J. A.; Rice, Craig R.; Adams, Harry","Probing solution behaviour of metallosupramolecular complexes using pyrene fluorescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1568","1573","10.1039/c1dt11831e","","","0.71073","MoKα","","0.0877","0.066","","","0.1813","0.2","","","","","","1.015","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7017991","20.2402","0.0008","10.3881","0.0004","20.5791","0.0007","90","","101.465","0.001","90","","4240.6","0.3","101","2","101","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 Cd Cl2 N5 O10 S2 -","- C49 H29 Cd Cl2 N5 O10 S2 -","- C196 H116 Cd4 Cl8 N20 O40 S8 -","4","1","","Cox, Nicola M.; Harding, Lindsay P.; Jones, Jennifer E.; Pope, Simon J. A.; Rice, Craig R.; Adams, Harry","Probing solution behaviour of metallosupramolecular complexes using pyrene fluorescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1568","1573","10.1039/c1dt11831e","","","0.71073","","","0.049","0.033","","","0.08","0.089","","","","","","0.95","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017992","15.462","0.002","33.213","0.005","16.066","0.002","90","","98.734","0.002","90","","8154.9","1.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C101 H63 Cl2 Cu2 N9 O12 S4 -","- C101 H63 Cl2 Cu2 N9 O12 S4 -","- C404 H252 Cl8 Cu8 N36 O48 S16 -","4","1","","Cox, Nicola M.; Harding, Lindsay P.; Jones, Jennifer E.; Pope, Simon J. A.; Rice, Craig R.; Adams, Harry","Probing solution behaviour of metallosupramolecular complexes using pyrene fluorescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1568","1573","10.1039/c1dt11831e","","","0.71073","MoKα","","0.1238","0.0629","","","0.1498","0.1791","","","","","","1.006","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017993","14.9284","0.0003","10.2817","0.0002","18.9004","0.0003","90","","102.443","0.001","90","","2832.87","0.09","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl N3 O2 P Pd S -","- C29 H29 Cl N3 O2 P Pd S -","- C116 H116 Cl4 N12 O8 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Ramachandran, E.; Dallemer, F.; Paramaguru, G.; Renganathan, R.; Poornima, P.; Vijaya Padma, V.; Natarajan, K.","Influence of terminal substitution on structural, DNA, Protein binding, anticancer and antibacterial activities of palladium(ii) complexes containing 3-methoxy salicylaldehyde-4(N) substituted thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2486","2499","10.1039/c1dt11838b","","x-ray","0.71073","MoKα","","0.1029","0.0421","","","0.093","0.1235","","","","","","0.931","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017994","9.817","0.0002","14.5065","0.0003","21.6341","0.0006","90","","90","","90","","3080.92","0.12","293","2","293","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl N3 O2 P Pd S -","- C28 H27 Cl N3 O2 P Pd S -","- C112 H108 Cl4 N12 O8 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Ramachandran, E.; Dallemer, F.; Paramaguru, G.; Renganathan, R.; Poornima, P.; Vijaya Padma, V.; Natarajan, K.","Influence of terminal substitution on structural, DNA, Protein binding, anticancer and antibacterial activities of palladium(ii) complexes containing 3-methoxy salicylaldehyde-4(N) substituted thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2486","2499","10.1039/c1dt11838b","","x-ray","0.71073","MoKα","","0.099","0.0481","","","0.0991","0.1124","","","","","","1.011","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017995","11.9088","0.0003","8.0278","0.0002","15.6843","0.0005","90","","102.48","0.001","90","","1464.01","0.07","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C33 H28 N3 O2 P Pd S -","- C33 H28 N3 O2 P Pd S -","- C66 H56 N6 O4 P2 Pd2 S2 -","2","1","","Kalaivani, P.; Prabhakaran, R.; Ramachandran, E.; Dallemer, F.; Paramaguru, G.; Renganathan, R.; Poornima, P.; Vijaya Padma, V.; Natarajan, K.","Influence of terminal substitution on structural, DNA, Protein binding, anticancer and antibacterial activities of palladium(ii) complexes containing 3-methoxy salicylaldehyde-4(N) substituted thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2486","2499","10.1039/c1dt11838b","","x-ray","0.71073","MoKα","","0.088","0.0477","","","0.0658","0.0744","","","","","","0.847","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017996","10.771","0.001","11.8338","0.0005","12.1601","0.0008","69.422","0.002","85.741","0.003","80.421","0.006","1430.61","0.18","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C27 H24 N3 O2 P Pd S -","- C27 H24 N3 O2 P Pd S -","- C54 H48 N6 O4 P2 Pd2 S2 -","2","1","","Kalaivani, P.; Prabhakaran, R.; Ramachandran, E.; Dallemer, F.; Paramaguru, G.; Renganathan, R.; Poornima, P.; Vijaya Padma, V.; Natarajan, K.","Influence of terminal substitution on structural, DNA, Protein binding, anticancer and antibacterial activities of palladium(ii) complexes containing 3-methoxy salicylaldehyde-4(N) substituted thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2486","2499","10.1039/c1dt11838b","","x-ray","0.71073","MoKα","","0.1692","0.078","","","0.1773","0.2071","","","","","","0.958","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017997","14.092","0.002","10.4839","0.0015","15.135","0.002","90","","109.337","0.0011","90","","2109.9","0.5","123.1","","123.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 K O -","- C24 H29 K O -","- C96 H116 K4 O4 -","4","1","","Yatabe, Takeshi; Karasawa, Masaki; Isobe, Kiyoshi; Ogo, Seiji; Nakai, Hidetaka","A naphthyl-substituted pentamethylcyclopentadienyl ligand and its Sm(II) bent-metallocene complexes with solvent-induced structure change.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","354","356","10.1039/c1dt11844g","","","0.7107","MoKα","","","0.0642","","","","0.2101","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017998","15.8327","0.0015","14.13","0.0013","18.3007","0.0018","90","","104.286","0.0005","90","","3967.5","0.7","123.1","","123.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C48 H58 O2 Sm -","- C48 H58 O2 Sm -","- C192 H232 O8 Sm4 -","4","1","","Yatabe, Takeshi; Karasawa, Masaki; Isobe, Kiyoshi; Ogo, Seiji; Nakai, Hidetaka","A naphthyl-substituted pentamethylcyclopentadienyl ligand and its Sm(II) bent-metallocene complexes with solvent-induced structure change.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","354","356","10.1039/c1dt11844g","","","0.7107","MoKα","","","0.0341","","","","0.0735","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017999","15.9579","0.0017","12.1851","0.0012","16.6516","0.0018","90","","109.624","0.003","90","","3049.8","0.6","123.1","","123.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Sm -","- C40 H42 Sm -","- C160 H168 Sm4 -","4","1","","Yatabe, Takeshi; Karasawa, Masaki; Isobe, Kiyoshi; Ogo, Seiji; Nakai, Hidetaka","A naphthyl-substituted pentamethylcyclopentadienyl ligand and its Sm(II) bent-metallocene complexes with solvent-induced structure change.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","354","356","10.1039/c1dt11844g","","","0.7107","MoKα","","","0.0499","","","","0.1351","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018000","23.543","0.005","10.041","0.002","6.9386","0.0014","90","","101.73","0.03","90","","1606","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cd N6 O4 -","- C16 H12 Cd N6 O4 -","- C64 H48 Cd4 N24 O16 -","4","0.5","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescence acylhydrazidate-coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2382","2392","10.1039/c1dt11846c","","","0.71073","MoKα","","0.0233","0.0219","","","0.0575","0.058","","","","","","1.128","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018001","7.6143","0.0005","7.7643","0.0005","8.7796","0.0005","84.066","0.002","71.7","0.002","67.977","0.002","456.78","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N6 O8 Zn -","- C16 H20 N6 O8 Zn -","- C16 H20 N6 O8 Zn -","1","0.5","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescence acylhydrazidate-coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2382","2392","10.1039/c1dt11846c","","","0.71073","MoKα","","0.0316","0.0314","","","0.0849","0.085","","","","","","1.115","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018002","7.9373","0.0003","10.1767","0.0004","12.9063","0.0004","110.058","0.002","106.054","0.002","92.891","0.002","928.82","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cd N6 O5 -","- C18 H16 Cd N6 O5 -","- C36 H32 Cd2 N12 O10 -","2","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescence acylhydrazidate-coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2382","2392","10.1039/c1dt11846c","","","0.71073","MoKα","","0.0395","0.0327","","","0.0847","0.0892","","","","","","1.048","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018003","9.9785","0.0003","11.0668","0.0002","12.5104","0.0003","80.558","0.001","75.795","0.001","72.186","0.001","1269.13","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 N12 O12 Pb2 -","- C56 H36 N12 O12 Pb2 -","- C56 H36 N12 O12 Pb2 -","1","0.5","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescence acylhydrazidate-coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2382","2392","10.1039/c1dt11846c","","","0.71073","MoKα","","0.0282","0.0248","","","0.064","0.0653","","","","","","1.047","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018004","24.837","0.005","10.147","0.002","20.137","0.004","90","","96.51","0.03","90","","5042.2","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Cd2 N16 O10 -","- C56 H40 Cd2 N16 O10 -","- C224 H160 Cd8 N64 O40 -","4","0.5","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescence acylhydrazidate-coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2382","2392","10.1039/c1dt11846c","","","0.71073","MoKα","","0.0592","0.0424","","","0.101","0.1117","","","","","","1.09","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018005","9.0226","0.0007","16.622","0.0017","25.429","0.003","90","","100.063","0.002","90","","3755","0.7","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H76 Cl4 Mn2 N12 O21 -","- C65 H76 Cl4 Mn2 N12 O21 -","- C130 H152 Cl8 Mn4 N24 O42 -","2","0.5","","Ghachtouli, Sanae El; Guillot, Régis; Dorlet, Pierre; Anxolabéhère-Mallart, Elodie; Aukauloo, Ally","Influence of second sphere hydrogen bonding interaction on a manganese(ii)-aquo complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1675","1677","10.1039/c1dt11858g","","x-ray","0.71073","MoKα","","0.1387","0.0747","","","0.1792","0.217","","","","","","1.027","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018006","9.4655","0.0005","13.8053","0.0007","27.3775","0.0015","90","","94.84","0.002","90","","3564.8","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 Cl2 Mn N7 O9 -","- C34 H37 Cl2 Mn N7 O9 -","- C136 H148 Cl8 Mn4 N28 O36 -","4","1","","Ghachtouli, Sanae El; Guillot, Régis; Dorlet, Pierre; Anxolabéhère-Mallart, Elodie; Aukauloo, Ally","Influence of second sphere hydrogen bonding interaction on a manganese(ii)-aquo complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1675","1677","10.1039/c1dt11858g","","x-ray","0.71073","MoKα","","0.1017","0.0793","","","0.2117","0.231","","","","","","1.059","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018007","9.326","0.006","15.281","0.01","10.136","0.007","90","","100.548","0.015","90","","1420.1","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 O P -","- C12 H27 O P -","- C48 H108 O4 P4 -","4","1","","Hilliard, Casie R.; Bhuvanesh, Nattamai; Gladysz, John A.; Blümel, Janet","Synthesis, purification, and characterization of phosphine oxides and their hydrogen peroxide adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1742","1754","10.1039/c1dt11863c","","","0.71073","MoKα","","0.0885","0.0595","","","0.149","0.1788","","","","","","1.062","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018008","8.579","0.002","9.584","0.003","12.26","0.003","95.445","0.003","97.065","0.003","112.824","0.003","910.8","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H35 O3 P -","- C18 H35 O3 P -","- C36 H70 O6 P2 -","2","1","","Hilliard, Casie R.; Bhuvanesh, Nattamai; Gladysz, John A.; Blümel, Janet","Synthesis, purification, and characterization of phosphine oxides and their hydrogen peroxide adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1742","1754","10.1039/c1dt11863c","","","0.71073","MoKα","","0.0376","0.0327","","","0.0843","0.088","","","","","","1.044","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018009","18.281","0.004","15.144","0.003","12.922","0.003","90","","107.894","0.004","90","","3404.4","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Ag2 N13 O8 -","- C28 H35 Ag2 N13 O8 -","- C112 H140 Ag8 N52 O32 -","4","1","","Li, Yun-Hua; Sun, Di; Hao, Hong-Jun; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Three novel organosilver(I) coordination networks constructed from diallylmelamine and polycarboxylates incorporating silver-vinyl bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2289","2295","10.1039/c1dt11866h","","","0.71073","MoKα","","0.0545","0.0427","","","0.0976","0.103","","","","","","1.02","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018010","8.1924","0.0019","10.62","0.003","11.231","0.003","111.691","0.004","100.021","0.004","102.29","0.004","852.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Ag2 N6 O4 -","- C14 H20 Ag2 N6 O4 -","- C28 H40 Ag4 N12 O8 -","2","1","","Li, Yun-Hua; Sun, Di; Hao, Hong-Jun; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Three novel organosilver(I) coordination networks constructed from diallylmelamine and polycarboxylates incorporating silver-vinyl bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2289","2295","10.1039/c1dt11866h","","","0.71073","MoKα","","0.0298","0.0278","","","0.0706","0.0721","","","","","","1.043","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018011","9.5359","0.0018","12.136","0.002","16.687","0.003","76.803","0.003","89.31","0.004","67.722","0.003","1733.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Ag4 N12 O10 -","- C28 H34 Ag4 N12 O10 -","- C56 H68 Ag8 N24 O20 -","2","1","","Li, Yun-Hua; Sun, Di; Hao, Hong-Jun; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Three novel organosilver(I) coordination networks constructed from diallylmelamine and polycarboxylates incorporating silver-vinyl bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2289","2295","10.1039/c1dt11866h","","","0.71073","MoKα","","0.0384","0.0343","","","0.0913","0.0942","","","","","","1.1","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018012","25.4688","0.0007","9.5148","0.0003","16.9516","0.0005","90","","91.368","0.01","90","","4106.7","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 Cu N4 O2 -","- C42 H62 Cu N4 O2 -","- C168 H248 Cu4 N16 O8 -","4","1","","Zats, Galina M.; Arora, Himanshu; Lavi, Ronit; Yufit, Dmitry; Benisvy, Laurent","H-bonding and steric effects on the properties of phenolate and phenoxyl radical complexes of Cu(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","47","49","10.1039/c1dt11868d","","x-ray","0.71073","MoKα","K-L~3~","0.0668","0.0514","","","0.1342","0.1455","","","","","","1.084","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018013","17.4258","0.0008","22.2181","0.001","27.5838","0.0013","84.586","0.001","77.438","0.001","88.357","0.001","10377","0.8","191","2","191","2","","","","","","","","6","P -1","-P 1","2","1","","","- C176 H202 Cl14 Dy8 N32 O57 -","- C176 H202 Cl14 Dy8 N32 O57 -","- C352 H404 Cl28 Dy16 N64 O114 -","2","1","","Xue, Shufang; Zhao, Lang; Guo, Yun-Nan; Tang, Jinkui","A novel windmill-type Dy(III) [2 ×2] grid exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","351","353","10.1039/c1dt11883h","","","0.71073","MoKα","","0.1033","0.056","","","0.1379","0.1713","","","","","","1.017","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018014","28.6622","0.0002","28.6622","0.0002","14.9089","0.0001","90","","90","","90","","12248","0.15","150","2","150","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","Chisholm 1755","","","- C58 H84 Mo2 O12 Se2 -","- C58 H84 Mo2 O12 Se2 -","- C464 H672 Mo16 O96 Se16 -","8","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Gallucci, Judith C.; Ghosh, Yagnaseni; Gustafson, Terry L.; Reed, Carly R.","Furan- and selenophene-2-carboxylato derivatives of dimolybdenum and ditungsten (M[quadruple bond, length as m-dash]M): a comparison of their chemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2257","2263","10.1039/c1dt11889g","","x-ray","0.71073","MoKα","","0.0505","0.0332","","","0.0796","0.0861","","","","","","1.042","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018015","16.5704","0.0011","11.4058","0.0007","19.3785","0.0012","90","","107.032","0.001","90","","3501.9","0.4","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 N2 O Sc Si2 -","- C31 H55 N2 O Sc Si2 -","- C124 H220 N8 O4 Sc4 Si8 -","4","1","","Jian, Zhongbao; Cui, Dongmei","Rare-earth metal bis(alkyl)s that bear a 2-pyridinemethanamine ligand: Dual catalysis of the polymerizations of both isoprene and ethylene.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2367","2373","10.1039/c1dt11890k","","","0.71073","MoKα","","0.0829","0.053","","","0.1251","0.1407","","","","","","1.053","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018016","23.7421","0.0002","23.7421","0.0002","24.7699","0.0003","90","","90","","120","","12091.9","0.2","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H159 Al12 B65 N12 O153 -","- C30 Al12 B65 N12 O153 -","- C90 Al36 B195 N36 O459 -","3","0.166667","","Wang, Guo-Ming; Li, Jin-Hua; Wang, Pei; Li, Zeng-Xin; Wang, Ying-Xia; Wang, Zhe-Ming; Lin, Jian-Hua","Synthesis and structure of QD-6: a novel aluminoborate constructed from unprecedented [B@Al6O24] and polyborate clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","734","736","10.1039/c1dt11929j","","","0.71073","MoKα","","0.0861","0.057","","","0.1633","0.1766","","","","","","1.049","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018017","7.7391","0.0003","9.1558","0.0011","20.7496","0.0017","83.459","0.008","85.82","0.005","69.189","0.007","1364.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H35 N2 O7 P S2 -","- C21 H35 N2 O7 P S2 -","- C42 H70 N4 O14 P2 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Complexation properties of the crown ether-containing N-thiophosphorylated thiourea towards Ni(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1451","1453","10.1039/c1dt11958c","","","0.71073","MoKα","","0.0624","0.0524","","","0.1352","0.1424","","","","","","1.097","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018018","23.4963","0.0006","8.2208","0.0003","29.2604","0.0008","90","","90","","90","","5651.9","0.3","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H72 N4 Ni O16 P2 S4 -","- C42 H72 N4 Ni O16 P2 S4 -","- C168 H288 N16 Ni4 O64 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Complexation properties of the crown ether-containing N-thiophosphorylated thiourea towards Ni(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1451","1453","10.1039/c1dt11958c","","","0.71073","MoKα","","0.0554","0.0444","","","0.1026","0.108","","","","","","1.106","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018019","8.1062","0.0007","8.5205","0.0013","15.3582","0.0006","90","","93.511","0.001","90","","1058.78","0.19","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H28 Cl2 P4 Pd2 Se -","- C10 H28 Cl2 P4 Pd2 Se -","- C20 H56 Cl4 P8 Pd4 Se2 -","2","1","","Pamplin, Craig B.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.","Reactivity of the bridged-sulfide complex Pd(2)Cl(2)(μ-S)(μ-dmpm)(2) toward electrophiles.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1991","2002","10.1039/c1dt11961c","","","0.71073","MoKα","","0.0234","0.0216","","","0.0528","0.0532","","","","","","1.054","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018020","12.2968","0.0002","15.1722","0.0001","27.7363","0.0003","90","","90","","90","","5174.75","0.11","180","2","180","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H31 Cl2 F3 O3 P4 Pd2 S2 -","- C12 H31 Cl2 F3 O3 P4 Pd2 S2 -","- C96 H248 Cl16 F24 O24 P32 Pd16 S16 -","8","1","","Pamplin, Craig B.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.","Reactivity of the bridged-sulfide complex Pd(2)Cl(2)(μ-S)(μ-dmpm)(2) toward electrophiles.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1991","2002","10.1039/c1dt11961c","","","0.71073","MoKα","","0.0434","0.0344","","","0.085","0.0886","","","","","","1.155","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018021","10.7943","0.0011","13.7756","0.0003","14.8223","0.0004","90","","90","","90","","2204","0.2","180","1","180","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Br2 O P4 Pd2 S -","- C10 H28 Br2 O P4 Pd2 S -","- C40 H112 Br8 O4 P16 Pd8 S4 -","4","1","","Pamplin, Craig B.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.","Reactivity of the bridged-sulfide complex Pd(2)Cl(2)(μ-S)(μ-dmpm)(2) toward electrophiles.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1991","2002","10.1039/c1dt11961c","","","0.71073","MoKα","","0.0294","0.0259","","","0.0626","0.0658","","","","","","1.026","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018022","7.8153","0.0002","10.2643","0.0003","8.6098","0.0002","90","","90","","90","","690.67","0.03","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Al7 Mo Pd2 -","- Al16.1348 Mo2 Pd3.8652 -","- Al32.2696 Mo4 Pd7.7304 -","2","0.25","","Khan, Atta U.; Rogl, P.; Giester, G.","Crystal structure of novel compounds in the systems Zr-Cu-Al, Mo-Pd-Al and partial phase equilibria in the Mo-Pd-Al system.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2296","2303","10.1039/c1dt11972a","","","0.71073","MoKα","","0.0511","0.0287","","","0.0402","0.0437","","","","","","1.043","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018023","11.043","0.0009","15.0977","0.0012","20.7375","0.0017","90","","90","","90","","3457.4","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 Cu N5 O19 W6 -","- C18 H33 Cu N5 O19 W6 -","- C72 H132 Cu4 N20 O76 W24 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Vindhya, Hanumanthugari; Das, Samar K.","Spontaneous resolution through helical association of a Cu-azamacrocyclic complex with Lindqvist-type isopolyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1862","1866","10.1039/c1dt11987g","","","0.71073","MoKα","","0.0331","0.0285","","","0.0533","0.0547","","","","","","1.016","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018024","10.9162","0.0007","14.9446","0.001","20.5098","0.0013","90","","90","","90","","3345.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 Cu Mo6 N5 O19 -","- C18 H35 Cu Mo6 N5 O19 -","- C72 H140 Cu4 Mo24 N20 O76 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Vindhya, Hanumanthugari; Das, Samar K.","Spontaneous resolution through helical association of a Cu-azamacrocyclic complex with Lindqvist-type isopolyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1862","1866","10.1039/c1dt11987g","","","0.71073","MoKα","","0.0172","0.0165","","","0.0368","0.037","","","","","","1.043","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018025","11.0347","0.001","15.0878","0.0013","20.732","0.0018","90","","90","","90","","3451.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 Cu N5 O19 W6 -","- C18 H33 Cu N5 O19 W6 -","- C72 H132 Cu4 N20 O76 W24 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Vindhya, Hanumanthugari; Das, Samar K.","Spontaneous resolution through helical association of a Cu-azamacrocyclic complex with Lindqvist-type isopolyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1862","1866","10.1039/c1dt11987g","","","0.71073","MoKα","","0.025","0.0238","","","0.0559","0.0564","","","","","","1.076","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018026","10.1012","0.0001","10.1012","0.0001","28.4343","0.0007","90","","90","","120","","2512.58","0.07","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 N6 O P -","- C15 H15 N6 O P -","- C90 H90 N36 O6 P6 -","6","0.333333","","Gupta, Arvind K.; Chipem, Francis A. S.; Boomishankar, Ramamoorthy","A 2-pyridyl (py) attached phosphine imine [P(Npy)(NHpy)(3)] and an imido phosphinate ion [P(Npy)(2)(NHpy)(2)](-) in its Ag(i) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1848","1853","10.1039/c1dt12004b","","","0.71073","MoKα","","0.0442","0.0421","","","0.1346","0.1367","","","","","","1.153","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018027","9.596","0.0016","19.395","0.003","11.0279","0.0017","90","","105.198","0.004","90","","1980.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N8 P -","- C20 H19 N8 P -","- C80 H76 N32 P4 -","4","1","","Gupta, Arvind K.; Chipem, Francis A. S.; Boomishankar, Ramamoorthy","A 2-pyridyl (py) attached phosphine imine [P(Npy)(NHpy)(3)] and an imido phosphinate ion [P(Npy)(2)(NHpy)(2)](-) in its Ag(i) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1848","1853","10.1039/c1dt12004b","","","0.71073","MoKα","","0.0749","0.0416","","","0.1002","0.108","","","","","","0.911","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018028","27.1792","0.0009","10.8631","0.0004","24.8914","0.0008","90","","90","","90","","7349.2","0.4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C63 H62 Ag5 Cl3 N16 O14 P2 -","- C63 H60 Ag5 Cl3 N16 O14 P2 -","- C252 H240 Ag20 Cl12 N64 O56 P8 -","4","0.5","","Gupta, Arvind K.; Chipem, Francis A. S.; Boomishankar, Ramamoorthy","A 2-pyridyl (py) attached phosphine imine [P(Npy)(NHpy)(3)] and an imido phosphinate ion [P(Npy)(2)(NHpy)(2)](-) in its Ag(i) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1848","1853","10.1039/c1dt12004b","","","0.71073","MoKα","","0.0549","0.0402","","","0.1014","0.1183","","","","","","1.076","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018029","7.6821","0.0006","8.1203","0.0007","8.7853","0.0006","97.483","0.003","114.055","0.003","99.403","0.003","481.79","0.07","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C6 H8 Ni0.5 O S4 -","- C6 H8 Ni0.5 O S4 -","- C12 H16 Ni O2 S8 -","2","1","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Paramagnetic dithiolene complexes as metallo-ligands: ether/thioether coordination.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1441","1443","10.1039/c1dt12028j","","x-ray","0.71073","MoKα","","0.0278","0.0251","","","0.0638","0.0653","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018030","8.9808","0.0002","13.5908","0.0002","14.3025","0.0003","83.547","0.001","81.743","0.001","79.245","0.001","1690.68","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H70 N6 Ni3 O10 S16 -","- C42 H70 N6 Ni3 O10 S16 -","- C42 H70 N6 Ni3 O10 S16 -","1","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Paramagnetic dithiolene complexes as metallo-ligands: ether/thioether coordination.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1441","1443","10.1039/c1dt12028j","","","0.71073","MoKα","","0.0627","0.0364","","","0.0805","0.0993","","","","","","1.108","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018031","13.9129","0.0007","11.3753","0.0005","25.6529","0.0015","90","","98.211","0.003","90","","4018.3","0.4","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C18 H30 Cl N2 Ni2 O4 S8 -","- C18 H30 Cl N2 Ni2 O4 S8 -","- C72 H120 Cl4 N8 Ni8 O16 S32 -","4","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Paramagnetic dithiolene complexes as metallo-ligands: ether/thioether coordination.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1441","1443","10.1039/c1dt12028j","","","0.71073","MoKα","","0.0615","0.0482","","","0.1414","0.1493","","","","","","1.045","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018032","22.307","0.0011","12.9869","0.0006","17.3369","0.0008","90","","125.516","0.002","90","","4088.1","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H59 N2 Ni O3 S8 -","- C31 H59 N2 Ni O3 S8 -","- C124 H236 N8 Ni4 O12 S32 -","4","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc","Paramagnetic dithiolene complexes as metallo-ligands: ether/thioether coordination.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1441","1443","10.1039/c1dt12028j","","","0.71073","MoKα","","0.0746","0.0531","","","0.1422","0.1636","","","","","","1.071","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018033","9.8862","0.0005","8.4404","0.0004","31.7569","0.0017","90","","94.459","0.001","90","","2641.9","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Mo8 N4 O23 -","- C44 H42 Mo8 N4 O23 -","- C88 H84 Mo16 N8 O46 -","2","0.5","","Li, Shenyu; Wang, Zhe; Hor, T. S. Andy; Zhao, Jin","First crystallographic elucidation of a high-valent molybdenum oxo N-heterocyclic carbene complex [CpMo(VI)O(2)(IBz)](2)[Mo(6)O(19)].","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1454","1456","10.1039/c2dt11616b","","","0.71073","MoKα","","0.0442","0.0373","","","0.0802","0.0829","","","","","","1.105","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018034","10.7001","0.0005","15.3922","0.0007","15.8533","0.0007","90","","96.225","0.001","90","","2595.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H53 Mo6 N5 O19 -","- C44 H53 Mo6 N5 O19 -","- C88 H106 Mo12 N10 O38 -","2","0.5","","Li, Shenyu; Wang, Zhe; Hor, T. S. Andy; Zhao, Jin","First crystallographic elucidation of a high-valent molybdenum oxo N-heterocyclic carbene complex [CpMo(VI)O(2)(IBz)](2)[Mo(6)O(19)].","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1454","1456","10.1039/c2dt11616b","","","0.71073","MoKα","","0.0385","0.0327","","","0.077","0.0845","","","","","","1.129","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018035","9.8246","0.0012","11.9309","0.0015","22.99","0.003","77.187","0.002","83.435","0.002","76.056","0.002","2545","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 B F4 Mo N3 O2 -","- C26 H24 B F4 Mo N3 O2 -","- C104 H96 B4 F16 Mo4 N12 O8 -","4","2","","Li, Shenyu; Wang, Zhe; Hor, T. S. Andy; Zhao, Jin","First crystallographic elucidation of a high-valent molybdenum oxo N-heterocyclic carbene complex [CpMo(VI)O(2)(IBz)](2)[Mo(6)O(19)].","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1454","1456","10.1039/c2dt11616b","","","0.71073","MoKα","","0.0349","0.0304","","","0.081","0.0843","","","","","","1.06","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018036","22.0951","0.0016","22.0951","0.0016","13.0878","0.0011","90","","90","","90","","6389.4","0.8","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C138 H132 Cl10 Mn5 N24 O2 -","- C138 H132 Cl10 Mn5 N24 O2 -","- C276 H264 Cl20 Mn10 N48 O4 -","2","0.25","","Lin, Shao-Hsuan; Yang, Chen-I; Kuo, Ting-Shen; Chiang, Ming-Hsi; Hsu, Kung-Chung; Lu, Kuang-Lieh","Self-adaptation of manganese-chloride arrangement toward high spin Mn(5)(μ-Cl)(4) cluster-based metal-organic framework with S = (15)/(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1448","1450","10.1039/c2dt11760f","","","0.71073","MoKα","","0.0832","0.0447","","","0.0901","0.1024","","","","","","1.004","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018037","6.6056","0.0002","10.9046","0.0004","16.8884","0.0005","90","","97.859","0.003","90","","1205.07","0.07","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N6 -","- C12.006 H8 N6.003 -","- C48.024 H32 N24.012 -","4","1","","Boyd, John P.; Irran, Elisabeth; Grohmann, Andreas","Tetrapodal amidoxime ligands I. Coordination isomerism due to self-complementary dimerization of a pyramidal cobalt(iii) coordination module.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2477","2485","10.1039/c2dt11847e","","","0.71073","MoKα","","0.0473","0.0349","","","0.076","0.08","","","","","","1.045","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018038","9.2213","0.0004","12.9948","0.0006","13.4621","0.0008","69.118","0.005","83.997","0.004","73.435","0.004","1444.63","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H62 Co2 F12 N20 O28 -","- C32 H62 Co2 F12 N20 O28 -","- C32 H62 Co2 F12 N20 O28 -","1","0.5","","Boyd, John P.; Irran, Elisabeth; Grohmann, Andreas","Tetrapodal amidoxime ligands I. Coordination isomerism due to self-complementary dimerization of a pyramidal cobalt(iii) coordination module.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2477","2485","10.1039/c2dt11847e","","","0.71073","MoKα","","0.0534","0.0389","","","0.0892","0.0928","","","","","","0.973","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018039","11.669","0.0006","17.5399","0.0013","16.0611","0.0011","90","","110.763","0.004","90","","3073.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Co N2 O8 -","- C30 H39 Co N2 O8 -","- C120 H156 Co4 N8 O32 -","4","1","","Cyriac, Anish; Jeon, Jong Yeob; Varghese, Jobi Kodiyan; Park, Ji Hae; Choi, Soo Young; Chung, Young Keun; Lee, Bun Yeoul","Unusual coordination mode of tetradentate Schiff base cobalt(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1444","1447","10.1039/c2dt11871h","","","0.71073","MoKα","","0.0957","0.065","","","0.1623","0.1813","","","","","","1.038","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018040","11.0257","0.0004","12.2862","0.0004","12.3223","0.0004","82.506","0.002","65.358","0.002","66.712","0.002","1392.42","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl2 Co N2 O4 -","- C27 H33 Cl2 Co N2 O4 -","- C54 H66 Cl4 Co2 N4 O8 -","2","1","","Cyriac, Anish; Jeon, Jong Yeob; Varghese, Jobi Kodiyan; Park, Ji Hae; Choi, Soo Young; Chung, Young Keun; Lee, Bun Yeoul","Unusual coordination mode of tetradentate Schiff base cobalt(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1444","1447","10.1039/c2dt11871h","","","0.71073","MoKα","","0.0796","0.0575","","","0.1499","0.1651","","","","","","1.029","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018041","11.9561","0.0009","15.1436","0.0011","15.2435","0.0008","92.675","0.004","92.569","0.004","110.492","0.003","2577","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 Cl2 Co2 N4 O11.5 -","- C45 H52 Cl2 Co2 N4 O11.5 -","- C90 H104 Cl4 Co4 N8 O23 -","2","1","","Cyriac, Anish; Jeon, Jong Yeob; Varghese, Jobi Kodiyan; Park, Ji Hae; Choi, Soo Young; Chung, Young Keun; Lee, Bun Yeoul","Unusual coordination mode of tetradentate Schiff base cobalt(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1444","1447","10.1039/c2dt11871h","","","0.71073","MoKα","","0.2889","0.113","","","0.284","0.376","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018042","12.1174","0.0009","10.988","0.0008","17.4499","0.0011","90","","95.855","0.004","90","","2311.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Co N3 O5 -","- C24 H28 Co N3 O5 -","- C96 H112 Co4 N12 O20 -","4","1","","Cyriac, Anish; Jeon, Jong Yeob; Varghese, Jobi Kodiyan; Park, Ji Hae; Choi, Soo Young; Chung, Young Keun; Lee, Bun Yeoul","Unusual coordination mode of tetradentate Schiff base cobalt(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1444","1447","10.1039/c2dt11871h","","","0.71073","MoKα","","0.1566","0.0606","","","0.0977","0.1216","","","","","","0.966","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018043","13.5058","0.0004","8.7766","0.0004","18.0814","0.0007","90","","96.924","0.002","90","","2127.65","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Co N2 O2 -","- C24 H28 Co N2 O2 -","- C96 H112 Co4 N8 O8 -","4","1","","Cyriac, Anish; Jeon, Jong Yeob; Varghese, Jobi Kodiyan; Park, Ji Hae; Choi, Soo Young; Chung, Young Keun; Lee, Bun Yeoul","Unusual coordination mode of tetradentate Schiff base cobalt(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1444","1447","10.1039/c2dt11871h","","","0.71073","MoKα","","0.0618","0.0391","","","0.0872","0.0956","","","","","","1.03","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018044","12.847","0.0017","14.844","0.0019","15.148","0.002","90","","90","","90","","2888.7","0.7","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C48 H66 Mg3 N8 O24 -","- C32 H28 Mg3 N4 O20 -","- C64 H56 Mg6 N8 O40 -","2","0.25","","Wang, Hai-Ning; Meng, Xing; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","Auxiliary ligand induced structural allomorphism in nanotubular microporous metal-organic frameworks based on discrete magnesium clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2231","2233","10.1039/c2dt11872f","","","0.71069","MoKα","","0.0886","0.0638","","","0.1873","0.1983","","","","","","1.077","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018045","14.484","0.0014","13.389","0.0013","20.373","0.0014","90","","133.8","0.014","90","","2851.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Mg3 N8 O24 -","- C48 H66 Mg3 N8 O24 -","- C96 H132 Mg6 N16 O48 -","2","0.5","","Wang, Hai-Ning; Meng, Xing; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","Auxiliary ligand induced structural allomorphism in nanotubular microporous metal-organic frameworks based on discrete magnesium clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2231","2233","10.1039/c2dt11872f","","","0.71069","MoKα","","0.0744","0.0519","","","0.1272","0.1405","","","","","","1.042","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018046","19.706","0.004","14.974","0.003","19.76","0.003","90","","90","","90","","5830.7","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H66 Mg3 N8 O24 -","- C32 H30 Mg3 N4 O20 -","- C128 H120 Mg12 N16 O80 -","4","0.5","","Wang, Hai-Ning; Meng, Xing; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","Auxiliary ligand induced structural allomorphism in nanotubular microporous metal-organic frameworks based on discrete magnesium clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2231","2233","10.1039/c2dt11872f","","","0.71069","MoKα","","0.1626","0.1199","","","0.2767","0.2962","","","","","","1.006","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018047","10.7897","0.0003","17.0361","0.0004","11.4052","0.0003","90","","110.652","0.003","90","","1961.72","0.1","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C108 H80 O8 -","4","1","","Crosbie, Elaine; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1832","1839","10.1039/c2dt11893a","","","0.71073","MoKα","","0.0622","0.046","","","0.0961","0.1044","","","","","","1.017","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018048","25.5194","0.0009","10.7301","0.0002","19.8807","0.0006","90","","118.682","0.004","90","","4775.9","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H76 I4 Li4 N4 -","- C36 H76 I4 Li4 N4 -","- C144 H304 I16 Li16 N16 -","4","0.5","","Crosbie, Elaine; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1832","1839","10.1039/c2dt11893a","","","0.71073","MoKα","","0.0582","0.0409","","","0.073","0.0794","","","","","","1.082","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018049","10.471","0.0002","12.1167","0.0002","35.1416","0.0007","90","","90","","90","","4458.55","0.14","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H44 Al N O -","- C21 H44 Al N O -","- C168 H352 Al8 N8 O8 -","8","1","","Crosbie, Elaine; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1832","1839","10.1039/c2dt11893a","","","0.71073","MoKα","","0.0824","0.0559","","","0.104","0.1126","","","","","","1.092","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018050","12.8821","0.0005","59.0714","0.0018","8.433","0.0004","90","","90","","90","","6417.2","0.4","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H24 I N O -","- C16 H24 I N O -","- C256 H384 I16 N16 O16 -","16","1","","Crosbie, Elaine; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1832","1839","10.1039/c2dt11893a","","","0.71069","MoKα","","0.0224","0.0212","","","0.0468","0.0473","","","","","","1.083","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018051","8.3434","0.0017","7.2579","0.0015","14.544","0.005","90","","106.8","0.03","90","","843.1","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag Ba2 In S4 -","- Ag Ba2 In S4 -","- Ag4 Ba8 In4 S16 -","4","1","","Yin, Wenlong; Feng, Kai; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","Ba(2)AgInS(4) and Ba(4)MGa(5)Se(12) (M = Ag, Li): syntheses, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2272","2276","10.1039/c2dt11895e","","","0.71073","MoKα","","0.0469","0.0358","","","0.0785","0.0825","","","","","","1.041","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018052","13.6544","0.0019","13.6544","0.0019","6.5215","0.0013","90","","90","","90","","1215.9","0.3","93","2","93","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ag Ba4 Ga5 Se12 -","- Ag Ba4 Ga5 Se12 -","- Ag2 Ba8 Ga10 Se24 -","2","0.25","","Yin, Wenlong; Feng, Kai; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","Ba(2)AgInS(4) and Ba(4)MGa(5)Se(12) (M = Ag, Li): syntheses, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2272","2276","10.1039/c2dt11895e","","","0.71073","MoKα","","0.0301","0.0281","","","0.0517","0.0522","","","","","","1.141","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018053","13.5906","0.0019","13.5906","0.0019","6.5148","0.0013","90","","90","","90","","1203.3","0.3","93","2","93","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba4 Ga5 Li Se12 -","- Ba4 Ga5 Li Se12 -","- Ba8 Ga10 Li2 Se24 -","2","0.25","","Yin, Wenlong; Feng, Kai; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","Ba(2)AgInS(4) and Ba(4)MGa(5)Se(12) (M = Ag, Li): syntheses, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2272","2276","10.1039/c2dt11895e","","","0.71073","MoKα","","0.0358","0.0332","","","0.0639","0.066","","","","","","1.129","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018054","27.854","0.006","17.042","0.004","20.656","0.004","90","","116.017","0.004","90","","8812","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H13.75 N O7 Zn2 -","- C35 H25 N O7 Zn2 -","- C280 H200 N8 O56 Zn16 -","8","1","","Zhao, Xiaoliang; Dou, Jianmin; Sun, Di; Cui, Peipei; Sun, Daofeng; Wu, Qingyin","A porous metal-organic framework (MOF) with unusual 2D→3D polycatenation based on honeycomb layers.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1928","1930","10.1039/c2dt11898j","","","0.71073","MoKα","","0.1271","0.0763","","","0.2064","0.2286","","","","","","0.883","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018055","11.6535","0.0004","12.0093","0.0004","22.2811","0.0013","87.28","0.004","83.524","0.004","86.494","0.003","3090","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C73.5 H75 N7.5 O6 -","- C73.5 H75 N7.5 O6 -","- C147 H150 N15 O12 -","2","1","","Mummidivarapu, V. V. Sreenivasu; Tabbasum, Khatija; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Di-amidoquinoline conjugate of calix[4]arene (L) as a ratiometric and colorimetric sensor for Zn(2+): Spectroscopy, microscopy and computational studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1671","1674","10.1039/c2dt11900e","","","0.71073","MoKα","","0.16","0.0933","","","0.2309","0.2536","","","","","","0.927","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018056","13.3143","0.0007","22.1979","0.0011","16.4153","0.0007","90","","106.296","0.001","90","","4656.6","0.4","176","2","176","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H116 Cl2 La2 Mn4 N4 O48 -","- C68 H108 Cl2 La2 Mn4 N4 O48 -","- C136 H216 Cl4 La4 Mn8 N8 O96 -","2","0.5","","Ke, Hongshan; Zhao, Lang; Guo, Yang; Tang, Jinkui","Heterobimetallic hexanuclear [Mn(ΙΙΙ)(4)Ln(ΙΙΙ)(2)] clusters: A rare Mn(ΙΙΙ)(4)Nd(ΙΙΙ)(2) example exhibiting slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2314","2319","10.1039/c2dt11922f","","","0.71073","MoKα","","0.0517","0.0381","","","0.1003","0.1127","","","","","","1.071","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018057","13.2735","0.0009","21.8604","0.0016","16.3481","0.0011","90","","106.765","0.001","90","","4542","0.5","176","2","176","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H116 Cl2 Mn4 N4 Nd2 O48 -","- C68 H110 Cl2 Mn4 N4 Nd2 O48 -","- C136 H220 Cl4 Mn8 N8 Nd4 O96 -","2","0.5","","Ke, Hongshan; Zhao, Lang; Guo, Yang; Tang, Jinkui","Heterobimetallic hexanuclear [Mn(ΙΙΙ)(4)Ln(ΙΙΙ)(2)] clusters: A rare Mn(ΙΙΙ)(4)Nd(ΙΙΙ)(2) example exhibiting slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2314","2319","10.1039/c2dt11922f","","","0.71073","MoKα","","0.057","0.0388","","","0.0959","0.1048","","","","","","1.046","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018058","8.6702","0.0003","9.7473","0.0003","10.6975","0.0003","108.594","0.002","105.241","0.002","102.205","0.002","782.46","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H44 B2 Cl2 Li2 N4 O4 -","- C28 H44 B2 Cl2 Li2 N4 O4 -","- C28 H44 B2 Cl2 Li2 N4 O4 -","1","0.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.0633","0.0436","","","0.1111","0.1217","","","","","","1.037","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018059","22.708","0.003","8.5531","0.0014","12.4561","0.0019","90","","115.224","0.005","90","","2188.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 B2 N6 O2 -","- C20 H30 B2 N6 O2 -","- C80 H120 B8 N24 O8 -","4","0.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.1018","0.0723","","","0.1887","0.212","","","","","","1.051","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018060","14.3806","0.0005","8.3655","0.0003","26.4698","0.0009","90","","90","","90","","3184.34","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 B2 N4 -","- C16 H20 B2 N4 -","- C128 H160 B16 N32 -","8","1","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.0612","0.0409","","","0.0968","0.1075","","","","","","0.957","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018061","15.5153","0.0015","14.5908","0.0014","14.6299","0.0015","90","","90.118","0.006","90","","3311.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 B2 N4 Sn4 -","- C24 H44 B2 N4 Sn4 -","- C96 H176 B8 N16 Sn16 -","4","0.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.0314","0.0269","","","0.0509","0.0518","","","","","","1.166","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018062","21.3933","0.0005","14.6257","0.0004","16.3348","0.0004","90","","90","","90","","5111","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H84 B2 Li4 N12 O2 -","- C40 H84 B2 Li4 N12 O2 -","- C160 H336 B8 Li16 N48 O8 -","4","0.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.0839","0.06","","","0.1641","0.182","","","","","","1.041","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018063","13.3291","0.0005","13.4745","0.0009","13.7149","0.0005","95.346","0.003","118.325","0.002","94.865","0.003","2135.36","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H100 B2 N4 O4 Sn4 -","- C100 H100 B2 N4 O4 Sn4 -","- C100 H100 B2 N4 O4 Sn4 -","1","0.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.071","0.054","","","0.1365","0.1454","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018064","9.7678","0.0018","10.1822","0.0018","27.337","0.005","90","","90","","90","","2718.9","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H24 B2 N4 -","- C12 H24 B2 N4 -","- C96 H192 B16 N32 -","8","1","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.1085","0.0538","","","0.1451","0.1861","","","","","","1.035","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018065","21.0776","0.0009","11.7668","0.0005","17.1289","0.0007","90","","117.968","0.002","90","","3752.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 B2 N4 Sn4 -","- C32 H48 B2 N4 Sn4 -","- C128 H192 B8 N16 Sn16 -","4","0.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.043","0.0336","","","0.0877","0.0917","","","","","","1.076","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018066","10.7066","0.0004","9.6996","0.0003","11.9435","0.0004","90","","103.769","0.002","90","","1204.69","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 B2 N4 Sn2 -","- C24 H24 B2 N4 Sn2 -","- C48 H48 B4 N8 Sn4 -","2","0.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.0229","0.0203","","","0.0657","0.0722","","","","","","1.076","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018067","25.8356","0.0007","16.9206","0.0004","15.1685","0.0004","90","","90.211","0.002","90","","6630.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 B2 N4 O2 Sn2 -","- C52 H48 B2 N4 O2 Sn2 -","- C312 H288 B12 N24 O12 Sn12 -","6","1.5","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.0611","0.0402","","","0.0868","0.0954","","","","","","1.052","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018068","9.707","0.005","10.899","0.005","12.796","0.006","74.586","0.009","85.973","0.01","86.817","0.009","1300.9","1.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N6 O4 Re -","- C26 H23 Br N6 O4 Re -","- C52 H46 Br2 N12 O8 Re2 -","2","1","","Gasser, Gilles; Pinto, Antonio; Neumann, Sebastian; Sosniak, Anna M.; Seitz, Michael; Merz, Klaus; Heumann, Rolf; Metzler-Nolte, Nils","Synthesis, characterisation and bioimaging of a fluorescent rhenium-containing PNA bioconjugate.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2304","2313","10.1039/c2dt12114j","","","0.71073","MoKα","","0.064","0.0632","","","0.1634","0.1641","","","","","","1.058","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7018069","9.167","0.0006","24.8802","0.0015","15.4087","0.0009","90","","99.275","0.001","90","","3468.4","0.4","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Br6 Ce2 O9 -","- C18 H42 Br6 Ce2 O9 -","- C72 H168 Br24 Ce8 O36 -","4","1","","Vasudevan, Kalyan V.; Smith, Nickolaus A.; Scott, Brian L.; Bennett, Bryan L.; Muenchausen, Ross E.; Gordon, John C.","Ionic liquid mediated routes to polydentate oxygen-donor adducts of cerium(iii) bromide.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1924","1927","10.1039/c2dt12333a","","","0.71073","MoKα","","0.0431","0.029","","","0.0639","0.0696","","","","","","0.949","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018070","15.7138","0.0011","10.3798","0.0007","15.0842","0.0011","90","","103.691","0.001","90","","2390.4","0.3","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H34 Br4 Ce N O3 -","- C15 H14 Br4 Ce N O3 -","- C60 H56 Br16 Ce4 N4 O12 -","4","1","","Vasudevan, Kalyan V.; Smith, Nickolaus A.; Scott, Brian L.; Bennett, Bryan L.; Muenchausen, Ross E.; Gordon, John C.","Ionic liquid mediated routes to polydentate oxygen-donor adducts of cerium(iii) bromide.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1924","1927","10.1039/c2dt12333a","","","0.71073","MoKα","","0.0591","0.0436","","","0.1137","0.1204","","","","","","1.423","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018071","10.0605","0.0019","13.14","0.003","12.781","0.002","90","","97.348","0.002","90","","1675.7","0.6","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Br3 Ce O4 -","- C8 H20 Br3 Ce O4 -","- C32 H80 Br12 Ce4 O16 -","4","1","","Vasudevan, Kalyan V.; Smith, Nickolaus A.; Scott, Brian L.; Bennett, Bryan L.; Muenchausen, Ross E.; Gordon, John C.","Ionic liquid mediated routes to polydentate oxygen-donor adducts of cerium(iii) bromide.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1924","1927","10.1039/c2dt12333a","","","0.71073","MoKα","","0.032","0.0227","","","0.0468","0.0485","","","","","","1.259","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018072","7.493","0.002","19.263","0.005","12.71","0.003","90","","103.926","0.003","90","","1780.6","0.8","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Br3 Ce O4 -","- C10 H22 Br3 Ce O5 -","- C40 H88 Br12 Ce4 O20 -","4","1","","Vasudevan, Kalyan V.; Smith, Nickolaus A.; Scott, Brian L.; Bennett, Bryan L.; Muenchausen, Ross E.; Gordon, John C.","Ionic liquid mediated routes to polydentate oxygen-donor adducts of cerium(iii) bromide.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1924","1927","10.1039/c2dt12333a","","","0.71073","MoKα","","0.0544","0.0316","","","0.0647","0.0743","","","","","","0.849","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018073","8.5949","0.0002","11.3073","0.0003","31.4337","0.0009","90","","92.4007","0.0012","90","","3052.21","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cp*Ti{MeC(NiPr)2}(H){N(NMe2)SiH2Ph}","","- C27.25 H49 N4 Si Ti -","- C27.25 H49 N4 Si Ti -","- C109 H196 N16 Si4 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.1104","0.0715","","0.0921","0.0721","0.0686","","","","","","1.0893","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018074","9.8784","0.0002","10.3809","0.0003","15.6151","0.0004","94.63","0.0011","99.7244","0.0013","114.528","0.0013","1415.38","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","Cp*Ti{MeC(NiPr)2}(Cl){N(NMe2)SiH2Ph}","","- C26 H45 Cl N4 Si Ti -","- C26 H45 Cl N4 Si Ti -","- C52 H90 Cl2 N8 Si2 Ti2 -","2","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.0994","0.0559","","0.0858","0.0585","0.0548","","","","","","1.0956","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018075","8.6552","0.0001","24.6871","0.0003","15.1275","0.0002","90","","100.271","0.0005","90","","3180.53","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*Ti{MeC(NiPr)2}(H){N(NMe2)SiH2ArF}","","- C28 H44 F6 N4 Si Ti -","- C28 H44 F6 N4 Si Ti -","- C112 H176 F24 N16 Si4 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.0893","0.0594","","0.0883","0.0656","0.0618","","","","","","1.1203","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018076","8.5719","0.0001","9.9056","0.0001","18.2095","0.0002","80.3853","0.0004","87.2553","0.0004","71.1128","0.0005","1442.34","0.03","150","","150","","","","","","","","","6","P -1","-P 1","2","","Cp*Ti{MeC(NiPr)2}(H){N(NMe2)SiH2ArOMe}","","- C27 H48 N4 O Si Ti -","- C27 H48 N4 O Si Ti -","- C54 H96 N8 O2 Si2 Ti2 -","2","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.0406","0.0366","","0.0412","0.0384","0.0378","","","","","","1.0832","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018077","11.5517","0.0002","14.3261","0.0002","18.0286","0.0003","90","","97.201","0.001","90","","2960.03","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Cp*Ti{N(NMe2)SiH(Ph)2N(iPr)CMeNiPr}Cl2","","- C26 H44 Cl2 N4 Si Ti -","- C26 H44 Cl2 N4 Si Ti -","- C104 H176 Cl8 N16 Si4 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.0785","0.0612","","0.0743","0.0624","0.0598","","","","","","1.0572","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018078","11.5599","0.0003","16.9818","0.0004","13.9465","0.0003","90","","91.892","0.001","90","","2736.32","0.11","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Cp*Ti{N(NMe2)SiMe2N(iPr)CMeNiPr}Cl2","","- C22 H44 Cl2 N4 Si Ti -","- C22 H44 Cl2 N4 Si Ti -","- C88 H176 Cl8 N16 Si4 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.1251","0.0599","","0.0852","0.0552","0.0511","","","","","","1.1157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018079","8.493","0.0002","11.623","0.0003","14.6209","0.0003","95.506","0.001","96.0935","0.0009","98.8666","0.0012","1408.69","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","Cp*Ti{N(NPh2)SiH(Me)Ph}Cl2","","- C29 H34 Cl2 N2 Si Ti -","- C29 H34 Cl2 N2 Si Ti -","- C58 H68 Cl4 N4 Si2 Ti2 -","2","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.0775","0.0571","","0.0756","0.0587","0.0562","","","","","","1.1107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018080","10.0805","0.0003","16.6347","0.0004","17.7081","0.0005","116.977","0.0013","94.7391","0.0011","91.8067","0.0014","2629.29","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Cp*Ti{MeC(NiPr)2}{NNMe3)]I","","- C21 H41 I N4 Ti -","- C21 H41 I N4 Ti -","- C84 H164 I4 N16 Ti4 -","4","2","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.0719","0.039","","0.0546","0.0385","0.0385","","","","","","1.1424","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018081","10.2911","0.0005","16.2599","0.0006","18.454","0.0009","69.245","0.002","78.12","0.002","86.849","0.002","2825.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Cp*Ti{MeC(NiPr)2}(NNMe2Et)]Br","","- C24 H47 Br N4 O0.5 Ti -","- C24 H47 Br N4 O0.5 Ti -","- C96 H188 Br4 N16 O2 Ti4 -","4","2","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.1474","0.0945","","0.0993","0.0769","0.0737","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018082","28.0165","0.0004","15.8661","0.0002","8.9726","0.0001","90","","90","","90","","3988.43","0.09","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","[Cp*Ti{MeC(NiPr)2}{N(H)(NMe2)}][BPh4]","","- C44 H59 B N4 Ti -","- C44 H59 B N4 Ti -","- C176 H236 B4 N16 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.0705","0.0562","","0.0695","0.0601","0.0576","","","","","","1.1289","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018083","12.2574","0.0007","13.2322","0.0008","16.4992","0.001","76.909","0.002","87.406","0.002","65.031","0.002","2359","0.2","123","1","123","1","","","","","","","","8","P -1","-P 1","2","trans-(Fe(ii)(NCS)2(DCrCr5)2(Na)2)(ClO4)2.4CH3CH2CH2OH","trans-[Fe(II)(NCS)2(DCrCr5)2(Na)2](ClO4)2.4CH3CH2CH2OH","","- C80 H128 Cl2 Fe N18 Na2 O28 S2 -","- C80 H122 Cl2 Fe N18 Na2 O28 S2 -","- C80 H122 Cl2 Fe N18 Na2 O28 S2 -","1","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Spin crossover in polymeric and heterometallic Fe(II) species containing polytopic dipyridylamino-substituted-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2571","2581","10.1039/c1dt10818b","","","0.71073","MoKα","","0.0967","0.054","","","0.1066","0.124","","","","","","1.014","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018084","12.304","0.002","13.4","0.002","16.754","0.003","78.495","0.007","88.175","0.007","65.049","0.007","2449.9","0.7","270","2","270","2","","","","","","","","8","P -1","-P 1","2","trans-(Fe(ii)(NCS)2(DCrCr5)2(Na)2)(ClO4)2.4CH3CH2CH2OH","trans-[Fe(II)(NCS)2(DCrCr5)2(Na)2](ClO4)2.4CH3CH2CH2OH","","- C80 H128 Cl2 Fe N18 Na2 O28 S2 -","- C80 H112 Cl2 Fe N18 Na2 O28 S2 -","- C80 H112 Cl2 Fe N18 Na2 O28 S2 -","1","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Spin crossover in polymeric and heterometallic Fe(II) species containing polytopic dipyridylamino-substituted-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2571","2581","10.1039/c1dt10818b","","","0.71073","MoKα","","0.136","0.0714","","","0.1938","0.2541","","","","","","1.043","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018085","17.495","0.002","12.702","0.002","18.477","0.002","90","","104.548","0.003","90","","3974.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-(Fe(ii)(NCS)2(DDCr5)).CH3OH","trans-[Fe(II)(NCS)2(DDCr5)].CH3OH","","- C36 H40 Fe N12 O5 S2 -","- C36 H32 Fe N12 O5 S2 -","- C144 H128 Fe4 N48 O20 S8 -","4","1","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Spin crossover in polymeric and heterometallic Fe(II) species containing polytopic dipyridylamino-substituted-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2571","2581","10.1039/c1dt10818b","","","0.71079","Synchrotron","","0.0899","0.0807","","","0.2059","0.2129","","","","","","1.047","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018086","14.83","0.01","14.78","0.01","16.483","0.008","90","","94.52","0.04","90","","3602","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cis-((Fe(ii))2(NCS)4(DCrCr5)2)","cis-[(Fe(II))2(NCS)4(DCrCr5)2]","","- C70 H72 Fe2 N24 O8 S4 -","- C70 H56 Fe2 N24 O8 S4 -","- C140 H112 Fe4 N48 O16 S8 -","2","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Spin crossover in polymeric and heterometallic Fe(II) species containing polytopic dipyridylamino-substituted-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2571","2581","10.1039/c1dt10818b","","","0.71073","Synchrotron","","0.1862","0.1102","","","0.2933","0.3425","","","","","","1.043","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018087","5.3139","0.0013","13.267","0.003","17.945","0.005","105.715","0.005","97.314","0.005","100.347","0.005","1177.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H11 Br F N6 Pt S4 -","- C20 H11 Br F N6 Pt S4 -","- C40 H22 Br2 F2 N12 Pt2 S8 -","2","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ren, Xiao-Ming; Tian, Zheng-Fang; Xie, Jingli","Observation of metal ion dependent packing structures and magnetic behaviors of metal-bis-1, 2-dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2667","2676","10.1039/c1dt11477h","","","0.71073","MoKα","","0.055","0.0412","","","0.1219","0.1826","","","","","","1.058","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018088","7.52","0.0015","11.804","0.002","14.435","0.003","68.52","0.03","85.1","0.03","87.31","0.03","1187.8","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H11 Br F N6 Pd S4 -","- C20 H11 Br F N6 Pd S4 -","- C40 H22 Br2 F2 N12 Pd2 S8 -","2","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ren, Xiao-Ming; Tian, Zheng-Fang; Xie, Jingli","Observation of metal ion dependent packing structures and magnetic behaviors of metal-bis-1, 2-dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2667","2676","10.1039/c1dt11477h","","","0.71073","MoKα","","0.0733","0.0447","","","0.1024","0.1178","","","","","","0.923","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018089","15.259","0.003","13.521","0.003","27.133","0.005","90","","99.08","0.03","90","","5528","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Mn N6 O8 -","- C28 H20 Mn N6 O8 -","- C224 H160 Mn8 N48 O64 -","8","1","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.0915","0.0646","","","0.1637","0.1757","","","","","","1.062","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018090","17.549","0.003","12.607","0.003","24.921","0.005","90","","90","","90","","5514","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N6 O8 Zn -","- C28 H20 N6 O8 Zn -","- C224 H160 N48 O64 Zn8 -","8","1","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.1139","0.0691","","","0.1788","0.195","","","","","","1.054","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018091","15.197","0.003","13.474","0.003","27.769","0.006","90","","99.51","0.03","90","","5608","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd N6 O8 -","- C28 H20 Cd N6 O8 -","- C224 H160 Cd8 N48 O64 -","8","1","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.0952","0.0631","","","0.1317","0.1449","","","","","","1.024","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018092","12.7244","0.0006","26.4144","0.0011","13.227","0.0005","90","","102.738","0.003","90","","4336.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Mn2 N8 O17 -","- C42 H26 Mn2 N8 O17 -","- C168 H104 Mn8 N32 O68 -","4","0.5","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.0669","0.0489","","","0.1231","0.1336","","","","","","1.053","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018093","10.715","0.002","11.039","0.002","24.188","0.005","90","","105.41","0.03","90","","2758.2","1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H20 N6 O8 Zn -","- C28 H13 N6 O8 Zn -","- C112 H52 N24 O32 Zn4 -","4","1","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.0549","0.0353","","","0.0885","0.1005","","","","","","1.074","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018094","12.0725","0.0007","13.205","0.0006","19.3094","0.0013","78.032","0.004","78.945","0.004","77.041","0.003","2900.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Cd2 N12 O17 -","- C56 H42 Cd2 N12 O17 -","- C112 H84 Cd4 N24 O34 -","2","1","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.1035","0.0513","","","0.1073","0.1213","","","","","","0.864","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018095","9.6753","0.0019","14.259","0.003","22.739","0.005","90","","102.16","0.03","90","","3066.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Mn N6 O8 -","- C34 H24 Mn N6 O8 -","- C136 H96 Mn4 N24 O32 -","4","1","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.066","0.0514","","","0.1382","0.1454","","","","","","1.096","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018096","9.2582","0.0019","13.59","0.003","25.513","0.005","86.71","0.03","87.74","0.03","85.16","0.03","3191.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H48 Cd2 N12 O16 -","- C68 H48 Cd2 N12 O16 -","- C136 H96 Cd4 N24 O32 -","2","1","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.1877","0.1066","","","0.2143","0.2526","","","","","","1.027","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018097","7.4","0.005","9.253","0.006","10.744","0.006","79.67","0.04","77.28","0.04","87.54","0.05","706","0.8","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 Br S -","- C18 H13 Br S -","- C36 H26 Br2 S2 -","2","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0716","","","","0.2237","","","","","","1.181","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018098","5.645","0.003","11.096","0.005","11.508","0.005","97.849","0.011","95.044","0.011","97.96","0.013","703","0.6","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 Br Se -","- C18 H13 Br Se -","- C36 H26 Br2 Se2 -","2","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0456","","","","0.1876","","","","","","1.197","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018099","5.8486","0.0017","21.983","0.007","22.637","0.006","90","","90","","90","","2910.4","1.5","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Br Te -","- C18 H13 Br Te -","- C144 H104 Br8 Te8 -","8","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0703","","","","0.2862","","","","","","1.284","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018100","5.109","0.004","15.85","0.012","17.81","0.014","90","","93.721","0.019","90","","1439.2","1.9","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 I S -","- C18 H13 I S -","- C72 H52 I4 S4 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.1043","","","","0.3414","","","","","","1.141","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018101","7.3312","0.0019","10.845","0.003","18.22","0.005","90","","95.673","0.008","90","","1441.5","0.7","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 I Se -","- C18 H13 I Se -","- C72 H52 I4 Se4 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0511","","","","0.1582","","","","","","1.264","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018102","5.9391","0.0018","22.301","0.006","22.556","0.006","90","","90.069","0.009","90","","2987.5","1.4","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 I Te -","- C18 H13 I Te -","- C144 H104 I8 Te8 -","8","2","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0953","","","","0.3291","","","","","","1.234","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018103","11.794","0.006","10.806","0.006","28.856","0.017","90","","93.435","0.015","90","","3671","4","125","","125","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H18 S2 -","- C24 H18 S2 -","- C192 H144 S16 -","8","2","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.1116","","","","0.3176","","","","","","1.014","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018104","22.147","0.0015","5.221","0.004","15.829","0.007","90","","90","","90","","1830.3","1.6","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H18 Se2 -","- C24 H18 Se2 -","- C96 H72 Se8 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0406","","","","0.0943","","","","","","0.765","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018105","10.05","0.006","21.75","0.011","9.843","0.005","90","","116.242","0.012","90","","1929.8","1.8","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Te2 -","- C24 H18 Te2 -","- C96 H72 Te8 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0948","","","","0.3803","","","","","","1.421","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018106","5.606","0.004","16.173","0.009","20.919","0.013","90","","97.126","0.014","90","","1882","2","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 S Se -","- C24 H18 S Se -","- C96 H72 S4 Se4 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.1324","","","","0.3364","","","","","","1.218","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018107","22.326","0.003","5.272","0.01","15.64","0.014","90","","90","","90","","1841","4","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H18 S Te -","- C24 H18 S Te -","- C96 H72 S4 Te4 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0409","","","","0.0985","","","","","","1.084","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018108","5.641","0.002","22.249","0.01","15.272","0.007","90","","100.477","0.018","90","","1884.8","1.4","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Se Te -","- C24 H18 Se Te -","- C96 H72 Se4 Te4 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0835","","","","0.2644","","","","","","1.148","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018109","8.062","0.003","11.733","0.004","11.966","0.004","90","","107.48","0.008","90","","1079.6","0.7","125","","125","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I2 -","- C12 H8 I2 -","- C48 H32 I8 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0421","","","","0.1786","","","","","","1.201","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018110","7.912","0.003","11.715","0.005","11.771","0.005","90","","107.423","0.009","90","","1041","0.7","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Br I -","- C12 H8 Br I -","- C48 H32 Br4 I4 -","4","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.1031","","","","0.3718","","","","","","1.735","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018111","7.6529","0.0007","8.2912","0.0008","8.8382","0.0008","64.174","0.002","78.781","0.002","69.709","0.002","472.83","0.08","125","","125","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H8 Cl2 -","- C12 H8 Cl2 -","- C24 H16 Cl4 -","2","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0384","","","","0.0853","","","","","","1.168","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018112","10.0412","0.0013","16.747","0.002","17.295","0.002","62.545","0.002","76.825","0.002","89.449","0.002","2497.5","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C85.5 H20 N O4 P S W -","- C85.5 H20 N O4 P S W -","- C171 H40 N2 O8 P2 S2 W2 -","2","1","","Chen, Chia-Hsiang; Chen, Chi-Shian; Dai, Huei-Fang; Yeh, Wen-Yann","Synthesis of the phosphino-fullerene PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) and its function as an η(1)-P or η(3)-P,C(2) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3030","3037","10.1039/c1dt11769f","","","0.71073","MoKα","","0.0838","0.0504","","","0.0903","0.0991","","","","","","0.847","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7018113","17.418","0.0016","19.6754","0.0019","23.14","0.002","106.174","0.006","95.677","0.006","90.006","0.007","7575.8","1.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H20 N O11 Os3 P -","- C92 H20 N O11 Os3 P -","- C368 H80 N4 O44 Os12 P4 -","4","2","","Chen, Chia-Hsiang; Chen, Chi-Shian; Dai, Huei-Fang; Yeh, Wen-Yann","Synthesis of the phosphino-fullerene PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) and its function as an η(1)-P or η(3)-P,C(2) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3030","3037","10.1039/c1dt11769f","","","0.71073","MoKα","","0.2716","0.1668","","","0.3611","0.4249","","","","","","1.053","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018114","23.62","0.003","14.2383","0.0018","30.475","0.004","90","","109.428","0.008","90","","9665","2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H20 N P -","- C81 H20 N P -","- C648 H160 N8 P8 -","8","1","","Chen, Chia-Hsiang; Chen, Chi-Shian; Dai, Huei-Fang; Yeh, Wen-Yann","Synthesis of the phosphino-fullerene PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) and its function as an η(1)-P or η(3)-P,C(2) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3030","3037","10.1039/c1dt11769f","","","0.71073","MoKα","","0.1356","0.0915","","","0.2671","0.2906","","","","","","1.086","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018115","10.0828","0.0013","16.351","0.002","16.5332","0.0019","84.296","0.007","77.77","0.007","77.84","0.009","2599.8","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C171 H42 N2 O7 P2 Ru2 S6 -","- C171 H40 N2 O7 P2 Ru2 S6 -","- C171 H40 N2 O7 P2 Ru2 S6 -","1","0.5","","Chen, Chia-Hsiang; Chen, Chi-Shian; Dai, Huei-Fang; Yeh, Wen-Yann","Synthesis of the phosphino-fullerene PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) and its function as an η(1)-P or η(3)-P,C(2) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3030","3037","10.1039/c1dt11769f","","","0.71073","MoKα","","0.2496","0.1196","","","0.309","0.3715","","","","","","1.059","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018116","7.6874","0.0012","9.9484","0.0016","11.4223","0.0017","96.499","0.003","96.478","0.004","111.272","0.004","797.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N5 O9 Zn -","- C12 H11 N5 O9 Zn -","- C24 H22 N10 O18 Zn2 -","2","1","","Konidaris, Konstantis F.; Polyzou, Christina D.; Kostakis, George E.; Tasiopoulos, Anastasios J.; Roubeau, Olivier; Teat, Simon J.; Manessi-Zoupa, Evy; Powell, Annie K.; Perlepes, Spyros P.","Metal ion-assisted transformations of 2-pyridinealdoxime and hexafluorophosphate.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2862","2865","10.1039/c1dt11881a","","","0.7749","synchrotron","","0.0492","0.0409","","","0.1052","0.1096","","","","","","1.056","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018117","6.8777","0.0006","11.2057","0.0011","12.8526","0.0012","90","","113.523","0.007","90","","908.23","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N6 O10 Zn -","- C12 H16 N6 O10 Zn -","- C24 H32 N12 O20 Zn2 -","2","0.5","","Konidaris, Konstantis F.; Polyzou, Christina D.; Kostakis, George E.; Tasiopoulos, Anastasios J.; Roubeau, Olivier; Teat, Simon J.; Manessi-Zoupa, Evy; Powell, Annie K.; Perlepes, Spyros P.","Metal ion-assisted transformations of 2-pyridinealdoxime and hexafluorophosphate.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2862","2865","10.1039/c1dt11881a","","","0.71073","MoKα","","0.0277","0.0241","","","0.0672","0.0685","","","","","","1.054","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018118","9.1885","0.0003","12.1035","0.0005","13.9159","0.0005","90","","90.663","0.003","90","","1547.53","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 F2 N8 O10 P2 Zn2 -","- C24 H24 F2 N8 O10 P2 Zn2 -","- C48 H48 F4 N16 O20 P4 Zn4 -","2","0.5","","Konidaris, Konstantis F.; Polyzou, Christina D.; Kostakis, George E.; Tasiopoulos, Anastasios J.; Roubeau, Olivier; Teat, Simon J.; Manessi-Zoupa, Evy; Powell, Annie K.; Perlepes, Spyros P.","Metal ion-assisted transformations of 2-pyridinealdoxime and hexafluorophosphate.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2862","2865","10.1039/c1dt11881a","","","0.71073","MoKα","","0.0279","0.0218","","","0.0569","0.0582","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018119","5.7944","0.0006","10.0079","0.0006","13.3326","0.0011","90","","97.71","0.006","90","","766.17","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C16 H40 N16 O8 -","4","0.5","","Sarma, Moushumi; Mondal, Biplab","Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2927","2934","10.1039/c2dt11082b","","","0.71073","MoKα","","0.0984","0.0638","","","0.218","0.2463","","","","","","1.145","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018120","8.6311","0.0003","13.7336","0.0003","15.1029","0.0005","90","","95.746","0.001","90","","1781.24","0.09","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","","Sarma, Moushumi; Mondal, Biplab","Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2927","2934","10.1039/c2dt11082b","","","0.71073","MoKα","","0.0335","0.0329","","","0.0893","0.09","","","","","","0.935","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018121","7.3704","0.0005","9.9384","0.0007","16.4246","0.001","90","","107.915","0.004","90","","1144.77","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Cl2 Cu N4 O10 -","- C12 H36 Cl2 Cu N4 O10 -","- C24 H72 Cl4 Cu2 N8 O20 -","2","0.5","","Sarma, Moushumi; Mondal, Biplab","Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2927","2934","10.1039/c2dt11082b","","","0.71073","MoKα","","0.0446","0.0397","","","0.1154","0.1195","","","","","","1.064","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018122","14.8346","0.0005","16.8936","0.0006","24.356","0.0008","90","","90","","90","","6103.9","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H48 Cl2 Cu N4 O8 -","- C20 H48 Cl2 Cu N4 O8 -","- C160 H384 Cl16 Cu8 N32 O64 -","8","1","","Sarma, Moushumi; Mondal, Biplab","Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2927","2934","10.1039/c2dt11082b","","","0.71073","MoKα","","0.1379","0.056","","","0.1241","0.1508","","","","","","1.006","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018123","5.3633","0.0002","9.9606","0.0005","12.5886","0.0005","91.902","0.003","98.241","0.003","97.192","0.003","659.43","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N2 O4 S2 -","- C24 H36 N2 O4 S2 -","- C24 H36 N2 O4 S2 -","1","0.5","","Sarma, Moushumi; Mondal, Biplab","Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2927","2934","10.1039/c2dt11082b","","","0.71073","MoKα","","0.0611","0.0444","","","0.1098","0.1171","","","","","","1.024","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018124","12.4397","0.0011","13.6472","0.0012","14.2697","0.0012","83.055","0.002","66.215","0.001","75.15","0.002","2142.3","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 N2 O2 Pd S -","- C21 H26 N2 O2 Pd S -","- C84 H104 N8 O8 Pd4 S4 -","4","2","","Wang, Wei-Chi; Peng, Kuo-Fu; Chen, Ming-Tsz; Chen, Chi-Tien","Palladacycles bearing tridentate CNS-type benzamidinate ligands as catalysts for cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3022","3029","10.1039/c2dt11097k","","","0.71073","MoKα","","0.0324","0.0287","","","0.081","0.0854","","","","","","1.016","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018125","12.7571","0.001","16.4673","0.0013","25.1706","0.0019","90","","98.628","0.002","90","","5227.9","0.7","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N4 O4 Pd2 S2 -","- C42 H52 N4 O4 Pd2 S2 -","- C168 H208 N16 O16 Pd8 S8 -","4","1","","Wang, Wei-Chi; Peng, Kuo-Fu; Chen, Ming-Tsz; Chen, Chi-Tien","Palladacycles bearing tridentate CNS-type benzamidinate ligands as catalysts for cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3022","3029","10.1039/c2dt11097k","","","0.71073","MoKα","","0.0491","0.0398","","","0.1015","0.1058","","","","","","1.038","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018126","21.165","0.005","20.675","0.004","11.302","0.002","90","","117.472","0.004","90","","4387.9","1.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O2 Pd S -","- C22 H20 N2 O2 Pd S -","- C176 H160 N16 O16 Pd8 S8 -","8","1","","Wang, Wei-Chi; Peng, Kuo-Fu; Chen, Ming-Tsz; Chen, Chi-Tien","Palladacycles bearing tridentate CNS-type benzamidinate ligands as catalysts for cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3022","3029","10.1039/c2dt11097k","","","0.71073","MoKα","","0.0527","0.0422","","","0.1326","0.1461","","","","","","1.004","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018127","7.6575","0.0006","13.7665","0.0012","15.5516","0.0013","90","","103.395","0.002","90","","1594.8","0.2","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl N2 Pd S -","- C16 H17 Cl N2 Pd S -","- C64 H68 Cl4 N8 Pd4 S4 -","4","1","","Wang, Wei-Chi; Peng, Kuo-Fu; Chen, Ming-Tsz; Chen, Chi-Tien","Palladacycles bearing tridentate CNS-type benzamidinate ligands as catalysts for cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3022","3029","10.1039/c2dt11097k","","","0.71073","MoKα","","0.0313","0.0296","","","0.0799","0.0819","","","","","","1.098","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018128","9.7871","0.0007","11.3669","0.0008","19.8986","0.0014","102.632","0.001","96.538","0.001","106.833","0.001","2030","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H94 Cl6 N8 Pd4 S4 -","- C77 H94 Cl6 N8 Pd4 S4 -","- C77 H94 Cl6 N8 Pd4 S4 -","1","0.5","","Wang, Wei-Chi; Peng, Kuo-Fu; Chen, Ming-Tsz; Chen, Chi-Tien","Palladacycles bearing tridentate CNS-type benzamidinate ligands as catalysts for cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3022","3029","10.1039/c2dt11097k","","","0.71073","MoKα","","0.0331","0.0281","","","0.0855","0.0887","","","","","","1.085","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018129","18.026","0.004","23.202","0.005","26.312","0.009","90","","121.29","0.02","90","","9404","5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H106 As4 N6 Na9 O59 V5 -","- C46 H56 As4 N6 Na9 O59 V5 -","- C184 H224 As16 N24 Na36 O236 V20 -","4","1","","Breen, John M.; Clérac, Rodolphe; Zhang, Lei; Cloonan, Suzanne M.; Kennedy, Elaine; Feeney, Martin; McCabe, Thomas; Williams, D. Clive; Schmitt, Wolfgang","Self-assembly of hybrid organic-inorganic polyoxovanadates: functionalised mixed-valent clusters and molecular cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2918","2926","10.1039/c2dt11153e","","","0.71073","MoKα","","0.1268","0.0929","","","0.3066","0.3785","","","","","","1.006","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018130","14.512","0.007","22.664","0.012","13.699","0.008","90","","90","","90","","4506","4","150","2","150","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C24 H33 As4 Na4 O31 V5 -","- C24 H12 As4 Na4 O31 V5 -","- C48 H24 As8 Na8 O62 V10 -","2","0.5","","Breen, John M.; Clérac, Rodolphe; Zhang, Lei; Cloonan, Suzanne M.; Kennedy, Elaine; Feeney, Martin; McCabe, Thomas; Williams, D. Clive; Schmitt, Wolfgang","Self-assembly of hybrid organic-inorganic polyoxovanadates: functionalised mixed-valent clusters and molecular cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2918","2926","10.1039/c2dt11153e","","","0.7107","MoKα","","0.1127","0.1024","","","0.2742","0.2863","","","","","","1.063","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7018131","14.9555","0.0015","15.1182","0.0015","17.0608","0.0017","109.381","0.002","106.595","0.002","107.314","0.002","3141.7","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H127 N0 Na10 O93.5 P8 V10 -","- C40 H24 Na10 O93.5 P8 V10 -","- C40 H24 Na10 O93.5 P8 V10 -","1","0.5","","Breen, John M.; Clérac, Rodolphe; Zhang, Lei; Cloonan, Suzanne M.; Kennedy, Elaine; Feeney, Martin; McCabe, Thomas; Williams, D. Clive; Schmitt, Wolfgang","Self-assembly of hybrid organic-inorganic polyoxovanadates: functionalised mixed-valent clusters and molecular cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2918","2926","10.1039/c2dt11153e","","","0.71073","MoKα","","0.1327","0.1101","","","0.2895","0.3064","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018132","6.9523","0.0002","16.7982","0.0004","7.5968","0.0002","90","","113.721","0.0013","90","","812.25","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N3 O -","- C10 H7 N3 O -","- C40 H28 N12 O4 -","4","1","","Cheng, Ming-Chuan; Liu, Isiah Po-Chun; Hsu, Chan-Hsiang; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming","New trinuclear metal string complexes containing rigid Hdzp ligands: synthesis, structure, magnetism and DFT calculation (Hdzp = 1,9-diazaphenoxazine).","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3166","3173","10.1039/c2dt11246a","","","0.71073","MoKα","","0.0645","0.0439","","","0.1147","0.1254","","","","","","1.019","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018133","12.8397","0.0002","14.0455","0.0003","17.5224","0.0004","110.951","0.0009","94.368","0.0012","107.318","0.0012","2757.57","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H45 Cl3 N14 Ni3 O6 S2 -","- C51 H45 Cl3 N14 Ni3 O6 S2 -","- C102 H90 Cl6 N28 Ni6 O12 S4 -","2","1","","Cheng, Ming-Chuan; Liu, Isiah Po-Chun; Hsu, Chan-Hsiang; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming","New trinuclear metal string complexes containing rigid Hdzp ligands: synthesis, structure, magnetism and DFT calculation (Hdzp = 1,9-diazaphenoxazine).","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3166","3173","10.1039/c2dt11246a","","","0.71073","MoKα","","0.0793","0.058","","","0.1763","0.1924","","","","","","1.044","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018134","13.2548","0.0002","13.6957","0.0002","16.9851","0.0003","109.956","0.0009","93.5481","0.0008","106.973","0.0009","2726.89","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.5 H38 Cl7 Co3 N14 O4 S2 -","- C48.5 H38 Cl7 Co3 N14 O4 S2 -","- C97 H76 Cl14 Co6 N28 O8 S4 -","2","1","","Cheng, Ming-Chuan; Liu, Isiah Po-Chun; Hsu, Chan-Hsiang; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming","New trinuclear metal string complexes containing rigid Hdzp ligands: synthesis, structure, magnetism and DFT calculation (Hdzp = 1,9-diazaphenoxazine).","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3166","3173","10.1039/c2dt11246a","","","0.71073","MoKα","","0.1234","0.0784","","","0.2328","0.2652","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018135","14.962","0.005","15.711","0.005","16.132","0.005","90","","106.67","0.005","90","","3633","2","185","2","185","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N2 O -","- C42 H50 N2 O -","- C168 H200 N8 O4 -","4","1","","Gao, Bo; Luo, Xuyang; Gao, Wei; Huang, Long; Gao, Si-Meng; Liu, Xiaoming; Wu, Qiaolin; Mu, Ying","Chromium complexes supported by phenanthrene-imine derivative ligands: synthesis, characterization and catalysis on isoprene cis-1,4 polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2755","2763","10.1039/c2dt11365a","","","0.71073","MoKα","","0.1388","0.074","","","0.2158","0.2608","","","","","","1.035","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018136","10.1315","0.0007","10.2073","0.0008","13.7621","0.001","72.788","0.001","80.112","0.001","87.226","0.001","1339.28","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 Cl2 Cr N O3 -","- C30 H33 Cl2 Cr N O3 -","- C60 H66 Cl4 Cr2 N2 O6 -","2","1","","Gao, Bo; Luo, Xuyang; Gao, Wei; Huang, Long; Gao, Si-Meng; Liu, Xiaoming; Wu, Qiaolin; Mu, Ying","Chromium complexes supported by phenanthrene-imine derivative ligands: synthesis, characterization and catalysis on isoprene cis-1,4 polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2755","2763","10.1039/c2dt11365a","","","0.71073","MoKα","","0.0603","0.0432","","","0.0977","0.1077","","","","","","1.055","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018137","20.3272","0.0015","15.4329","0.0011","11.7029","0.0009","90","","104.264","0.001","90","","3558.1","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H49 Cl2 Cr N O4 -","- C38 H49 Cl2 Cr N O4 -","- C152 H196 Cl8 Cr4 N4 O16 -","4","1","","Gao, Bo; Luo, Xuyang; Gao, Wei; Huang, Long; Gao, Si-Meng; Liu, Xiaoming; Wu, Qiaolin; Mu, Ying","Chromium complexes supported by phenanthrene-imine derivative ligands: synthesis, characterization and catalysis on isoprene cis-1,4 polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2755","2763","10.1039/c2dt11365a","","","0.71073","MoKα","","0.0961","0.0702","","","0.2097","0.2349","","","","","","1.03","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018138","14.7054","0.0008","14.9361","0.0008","17.9334","0.001","72.466","0.001","66.429","0.001","65.278","0.001","3236.6","0.3","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H65 Cl8 Cr2 N4 O -","- C66 H65 Cl8 Cr2 N4 O -","- C132 H130 Cl16 Cr4 N8 O2 -","2","1","","Gao, Bo; Luo, Xuyang; Gao, Wei; Huang, Long; Gao, Si-Meng; Liu, Xiaoming; Wu, Qiaolin; Mu, Ying","Chromium complexes supported by phenanthrene-imine derivative ligands: synthesis, characterization and catalysis on isoprene cis-1,4 polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2755","2763","10.1039/c2dt11365a","","","0.71073","MoKα","","0.1355","0.1018","","","0.2863","0.3197","","","","","","1.07","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018139","12.894","0.0011","13.7174","0.0012","21.3485","0.0018","79.533","0.002","74.921","0.001","69.836","0.002","3404.8","0.5","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H80 Cl8 Cr2 N4 O -","- C74 H80 Cl8 Cr2 N4 O -","- C148 H160 Cl16 Cr4 N8 O2 -","2","1","","Gao, Bo; Luo, Xuyang; Gao, Wei; Huang, Long; Gao, Si-Meng; Liu, Xiaoming; Wu, Qiaolin; Mu, Ying","Chromium complexes supported by phenanthrene-imine derivative ligands: synthesis, characterization and catalysis on isoprene cis-1,4 polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2755","2763","10.1039/c2dt11365a","","","0.71073","MoKα","","0.1061","0.0787","","","0.1953","0.2168","","","","","","1.051","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018140","25.162","0.002","15.303","0.0014","18.2914","0.0018","90","","110.053","0.002","90","","6616.2","1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H78 Cl6 Cr2 N4 O -","- C73 H78 Cl6 Cr2 N4 O -","- C292 H312 Cl24 Cr8 N16 O4 -","4","1","","Gao, Bo; Luo, Xuyang; Gao, Wei; Huang, Long; Gao, Si-Meng; Liu, Xiaoming; Wu, Qiaolin; Mu, Ying","Chromium complexes supported by phenanthrene-imine derivative ligands: synthesis, characterization and catalysis on isoprene cis-1,4 polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2755","2763","10.1039/c2dt11365a","","","0.71073","MoKα","","0.2086","0.0916","","","0.1791","0.2298","","","","","","1.008","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018141","16.3278","0.0007","18.5432","0.0006","20.1322","0.0008","71.099","0.002","73.208","0.002","75.25","0.002","5432.9","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- As4 H140 K20 Mo6 O198 Pd2 S8 W36 -","- As4 K10 Mo6 O178 Pd2 S8 W36 -","- As4 K10 Mo6 O178 Pd2 S8 W36 -","1","0.5","","Duval, Sylvain; Marrot, Jérôme; Simonnet-Jégat, Corine; Mbomekallé, Israël Martyr; Sokolov, Maxim; Cadot, Emmanuel","{AsW(9)O(33)}-{Mo(3)S(4)} based polyoxometalates including a metal-metal bond with Pd or Ni. Synthesis, structure and studies in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3174","3184","10.1039/c2dt11420h","","","0.71073","MoKα","","0.1308","0.0815","","","0.2077","0.2643","","","","","","1.092","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018142","16.3743","0.0005","18.5255","0.0004","20.0599","0.0006","71.55","0.001","73.203","0.001","74.788","0.001","5427.2","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- As4 H130 K20 Mo6 Ni2 O193 S8 W36 -","- As4 K12 Mo6 Ni2 O177 S8 W36 -","- As4 K12 Mo6 Ni2 O177 S8 W36 -","1","0.5","","Duval, Sylvain; Marrot, Jérôme; Simonnet-Jégat, Corine; Mbomekallé, Israël Martyr; Sokolov, Maxim; Cadot, Emmanuel","{AsW(9)O(33)}-{Mo(3)S(4)} based polyoxometalates including a metal-metal bond with Pd or Ni. Synthesis, structure and studies in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3174","3184","10.1039/c2dt11420h","","","0.71073","MoKα","","0.08","0.0515","","","0.1437","0.1868","","","","","","1.131","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018143","17.2485","0.0002","12.9889","0.0002","32.399","0.0004","90","","90","","90","","7258.64","0.17","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C77 H75 Ir2 N11 O16 Zn -","- C77 H75 Ir2 N11 O16 Zn -","- C308 H300 Ir8 N44 O64 Zn4 -","4","1","","Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2592","2600","10.1039/c2dt11473a","","","0.71073","MoKα","","0.0634","0.0432","","","0.1038","0.1139","","","","","","1.062","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018144","16.5645","0.0004","36.3936","0.0008","12.8741","0.0003","90","","90","","90","","7761","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C77 H77 Cd Ir2 N11 O19 -","- C77 H77 Cd Ir2 N11 O19 -","- C308 H308 Cd4 Ir8 N44 O76 -","4","0.5","","Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2592","2600","10.1039/c2dt11473a","","","0.71073","MoKα","","0.0803","0.0493","","","0.1387","0.1526","","","","","","1.008","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018145","16.164","0.0006","37.4369","0.0014","12.5034","0.0005","90","","90","","90","","7566.2","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C77 H81 Ir2 N11 Ni O19 -","- C77 H81 Ir2 N11 Ni O19 -","- C308 H324 Ir8 N44 Ni4 O76 -","4","0.5","","Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2592","2600","10.1039/c2dt11473a","","","0.71073","MoKα","","0.0802","0.0563","","","0.1769","0.1878","","","","","","1.157","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018146","16.2229","0.0004","37.1139","0.0009","12.5962","0.0003","90","","90","","90","","7584.1","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C74 H80 Co Ir2 N10 O20 -","- C74 H80 Co Ir2 N11 O20 -","- C296 H320 Co4 Ir8 N44 O80 -","4","0.5","","Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2592","2600","10.1039/c2dt11473a","","","0.71073","MoKα","","0.06","0.0466","","","0.1353","0.1418","","","","","","1.068","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018147","14.2433","0.0002","17.2891","0.0002","17.5885","0.0002","90","","91.616","0.001","90","","4329.51","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 N4 O20.5 S2 Zn4 -","- C36 H30 N4 O20.5 S2 Zn4 -","- C144 H120 N16 O82 S8 Zn16 -","4","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0548","0.0367","","","0.0852","0.0921","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018148","8.1197","0.0004","12.0404","0.0006","21.9277","0.0011","90","","90","","90","","2143.75","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Co2 O9 S -","- C8 H6 Co2 O9 S -","- C64 H48 Co16 O72 S8 -","8","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0278","0.0236","","","0.0616","0.0638","","","","","","1.054","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018149","8.3817","0.0007","12.2159","0.001","22.1945","0.0018","90","","90","","90","","2272.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Mn2 O9 S -","- C8 H6 Mn2 O9 S -","- C64 H48 Mn16 O72 S8 -","8","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0514","0.0363","","","0.0792","0.085","","","","","","1.065","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018150","8.1269","0.0002","11.984","0.0002","22.0101","0.0004","90","","90","","90","","2143.62","0.07","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 O9 S Zn2 -","- C8 H6 O9 S Zn2 -","- C64 H48 O72 S8 Zn16 -","8","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0372","0.0268","","","0.0601","0.0639","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018151","7.3596","0.0003","14.5732","0.0007","22.8091","0.001","90","","90","","90","","2446.34","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O10 S Zn2 -","- C8 H8 O10 S Zn2 -","- C64 H64 O80 S8 Zn16 -","8","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0795","0.0413","","","0.0732","0.0858","","","","","","0.986","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018152","14.3744","0.0002","16.8577","0.0002","14.6927","0.0002","90","","97.305","0.001","90","","3531.43","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cd2 N4 O9 S -","- C34 H34 Cd2 N4 O9 S -","- C136 H136 Cd8 N16 O36 S4 -","4","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0589","0.0347","","","0.0692","0.0786","","","","","","1.005","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018153","15.3812","0.001","15.612","0.001","15.9042","0.0011","111.353","0.001","97.807","0.001","118.466","0.001","2895.1","0.3","185","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H112 Dy4 N4 O34 -","- C126 H112 Dy4 N4 O34 -","- C126 H112 Dy4 N4 O34 -","1","0.5","","Lin, Shuang-Yan; Zhao, Lang; Ke, Hongshan; Guo, Yun-Nan; Tang, Jinkui; Guo, Yang; Dou, Jianmin","Steric hindrances create a discrete linear Dy(4) complex exhibiting SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3248","3252","10.1039/c2dt11539e","","","0.71073","MoKα","","0.0946","0.0487","","","0.0955","0.1225","","","","","","0.962","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018154","15.3896","0.0011","15.6333","0.0012","15.922","0.002","111.269","0.002","97.922","0.001","118.344","0.001","2908.7","0.5","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H112 Gd4 N4 O34 -","- C126 H112 Gd4 N4 O34 -","- C126 H112 Gd4 N4 O34 -","1","0.5","","Lin, Shuang-Yan; Zhao, Lang; Ke, Hongshan; Guo, Yun-Nan; Tang, Jinkui; Guo, Yang; Dou, Jianmin","Steric hindrances create a discrete linear Dy(4) complex exhibiting SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3248","3252","10.1039/c2dt11539e","","","0.71073","MoKα","","0.0922","0.0494","","","0.0933","0.1129","","","","","","0.988","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018155","27.419","0.004","27.419","0.004","14.0279","0.0019","90","","90","","90","","10546","3","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C31 H34 N2 Pt -","- C31 H34 N2 Pt -","- C496 H544 N32 Pt16 -","16","1","","Robinson, Robert; Karikachery, Alice Raphael; Sharp, Paul R.","Photophysical properties of 4,4'-di-tert-butyl-2,2'-bipyridine supported 6-membered 2,2'-diphenyl-X platinacycles (X = CH(2), NMe, O).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2601","2611","10.1039/c2dt11594h","","","0.71073","MoKα","","0.0213","0.0182","","","0.043","0.0443","","","","","","1.035","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018156","26.979","0.003","26.979","0.003","14.0248","0.0014","90","","90","","90","","10208.2","1.9","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C30 H32 N2 O Pt -","- C30 H32 N2 O Pt -","- C480 H512 N32 O16 Pt16 -","16","1","","Robinson, Robert; Karikachery, Alice Raphael; Sharp, Paul R.","Photophysical properties of 4,4'-di-tert-butyl-2,2'-bipyridine supported 6-membered 2,2'-diphenyl-X platinacycles (X = CH(2), NMe, O).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2601","2611","10.1039/c2dt11594h","","","0.71073","MoKα","","0.0173","0.0156","","","0.0388","0.0395","","","","","","1.071","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018157","10.497","0.003","18.382","0.004","26.584","0.003","102.479","0.005","95.82","0.002","97.52","0.004","4920.5","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H63 Mn9 N3 O46 -","- C105 H63 Mn9 N3 O46 -","- C210 H126 Mn18 N6 O92 -","2","1","","Lama, Prem; Sañudo, E Carolina; Bharadwaj, Parimal K.","Coordination polymers of Mn(2+) and Dy(3+) ions built with a bent tricarboxylate: Metamagnetic and weak anti-ferromagnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2979","2985","10.1039/c2dt11626j","","","0.71073","MoKα","","0.1672","0.0737","","","0.14","0.1923","","","","","","0.949","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018158","14.972","0.003","8.592","0.005","21.434","0.004","90","","90","","90","","2757.3","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H7 Dy O7 -","- C15 H7 Dy O7 -","- C120 H56 Dy8 O56 -","8","1","","Lama, Prem; Sañudo, E Carolina; Bharadwaj, Parimal K.","Coordination polymers of Mn(2+) and Dy(3+) ions built with a bent tricarboxylate: Metamagnetic and weak anti-ferromagnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2979","2985","10.1039/c2dt11626j","","","0.71073","MoKα","","0.052","0.0382","","","0.0978","0.1279","","","","","","1.195","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018159","10.7499","0.0001","11.087","0.0001","11.7135","0.0001","78.3715","0.0004","77.1573","0.0004","81.5438","0.0004","1325.54","0.02","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C14 H38 Cl2 Cu3 N4 O13 -","- C14 H38 Cl2 Cu3 N4 O13 -","- C28 H76 Cl4 Cu6 N8 O26 -","2","1","","Seppälä, Petri; Colacio, Enrique; Mota, Antonio J.; Sillanpää, Reijo","Synthesis, crystal structures and magnetic properties of bis(μ-dialkoxo)-bridged linear trinuclear copper(ii) complexes with aminoalcohol ligands: a theoretical/experimental magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2648","2658","10.1039/c2dt11628f","","x-ray","0.71073","MoKα","","0.0304","0.0283","","","0.0628","0.064","","","","","","1.038","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018160","20.6448","0.0003","12.9186","0.0002","19.274","0.0003","90","","119.834","0.001","90","","4459.16","0.13","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Cu3 N6 O10 -","- C12 H32 Cu3 N6 O10 -","- C96 H256 Cu24 N48 O80 -","8","1","","Seppälä, Petri; Colacio, Enrique; Mota, Antonio J.; Sillanpää, Reijo","Synthesis, crystal structures and magnetic properties of bis(μ-dialkoxo)-bridged linear trinuclear copper(ii) complexes with aminoalcohol ligands: a theoretical/experimental magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2648","2658","10.1039/c2dt11628f","","x-ray","0.71073","MoKα","","0.0462","0.0359","","","0.071","0.0746","","","","","","1.057","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018161","9.3652","0.0005","9.4753","0.0006","12.1199","0.0007","90","","109.75","0.003","90","","1012.23","0.1","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Br2 Cu3 N4 O4 -","- C12 H32 Br2 Cu3 N4 O4 -","- C24 H64 Br4 Cu6 N8 O8 -","2","0.5","","Seppälä, Petri; Colacio, Enrique; Mota, Antonio J.; Sillanpää, Reijo","Synthesis, crystal structures and magnetic properties of bis(μ-dialkoxo)-bridged linear trinuclear copper(ii) complexes with aminoalcohol ligands: a theoretical/experimental magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2648","2658","10.1039/c2dt11628f","","x-ray","0.71073","MoKα","","0.0508","0.0332","","","0.0687","0.0742","","","","","","1.031","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018162","8.7208","0.0004","9.1161","0.0005","11.8368","0.0006","90","","106.544","0.003","90","","902.06","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cu3 N6 O10 -","- C8 H24 Cu3 N6 O10 -","- C16 H48 Cu6 N12 O20 -","2","0.5","","Seppälä, Petri; Colacio, Enrique; Mota, Antonio J.; Sillanpää, Reijo","Synthesis, crystal structures and magnetic properties of bis(μ-dialkoxo)-bridged linear trinuclear copper(ii) complexes with aminoalcohol ligands: a theoretical/experimental magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2648","2658","10.1039/c2dt11628f","","x-ray","0.71073","MoKα","","0.0382","0.0307","","","0.0655","0.0682","","","","","","1.055","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018163","11.613","0.003","12.202","0.003","16.414","0.004","105.214","0.004","101.262","0.003","104.368","0.002","2088.1","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 F18 Gd2 N6 O16 -","- C84 H68 F18 Gd2 N6 O16 -","- C84 H68 F18 Gd2 N6 O16 -","1","0.5","","Mei, Xue-Lan; Liu, Rui-Na; Wang, Chao; Yang, Pei-Pei; Li, Li-Cun; Liao, Dai-Zheng","Modulating spin dynamics of cyclic Ln(III)-radical complexes (Ln(III) = Tb, Dy) by using phenyltrifluoroacetylacetonate coligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2904","2909","10.1039/c2dt11671e","","","0.71073","MoKα","","0.061","0.0481","","","0.0837","0.0884","","","","","","1.038","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018164","11.612","0.004","12.193","0.004","16.427","0.005","105.204","0.005","101.292","0.004","104.357","0.004","2088","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 F18 N6 O16 Tb2 -","- C84 H68 F18 N6 O16 Tb2 -","- C84 H68 F18 N6 O16 Tb2 -","1","0.5","","Mei, Xue-Lan; Liu, Rui-Na; Wang, Chao; Yang, Pei-Pei; Li, Li-Cun; Liao, Dai-Zheng","Modulating spin dynamics of cyclic Ln(III)-radical complexes (Ln(III) = Tb, Dy) by using phenyltrifluoroacetylacetonate coligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2904","2909","10.1039/c2dt11671e","","","0.71073","MoKα","","0.0652","0.0569","","","0.1043","0.1081","","","","","","1.11","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018165","11.613","0.008","12.204","0.007","16.441","0.01","105.058","0.009","101.383","0.005","104.289","0.008","2094","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 Dy2 F18 N6 O16 -","- C84 H68 Dy2 F18 N6 O16 -","- C84 H68 Dy2 F18 N6 O16 -","1","0.5","","Mei, Xue-Lan; Liu, Rui-Na; Wang, Chao; Yang, Pei-Pei; Li, Li-Cun; Liao, Dai-Zheng","Modulating spin dynamics of cyclic Ln(III)-radical complexes (Ln(III) = Tb, Dy) by using phenyltrifluoroacetylacetonate coligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2904","2909","10.1039/c2dt11671e","","","0.71073","MoKα","","0.0812","0.0653","","","0.1043","0.1131","","","","","","1.042","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018166","11.307","0.002","11.822","0.002","20.33","0.004","87.82","0.03","76.16","0.03","62.43","0.03","2330.7","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 P S -","- C30 H27 P S0.995 -","- C120 H108 P4 S3.98 -","4","2","","Pavelka, Laura C.; Baines, Kim M.","Facile synthesis of luminescent benzo-1,2-dihydrophosphinines from a phosphaalkene.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3294","3301","10.1039/c2dt11690a","","x-ray","0.71073","MoKα","","0.0756","0.0525","","","0.1286","0.1404","","","","","","1.049","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018167","10.163","0.002","14.137","0.003","17.859","0.004","90","","102.19","0.03","90","","2508","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 O P S -","- C31 H29 O P S -","- C124 H116 O4 P4 S4 -","4","1","","Pavelka, Laura C.; Baines, Kim M.","Facile synthesis of luminescent benzo-1,2-dihydrophosphinines from a phosphaalkene.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3294","3301","10.1039/c2dt11690a","","x-ray","0.71073","MoKα","","0.072","0.0463","","","0.1122","0.1246","","","","","","1.045","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018168","10.684","0.002","10.885","0.002","13.114","0.003","69.32","0.03","74.49","0.03","74.93","0.03","1351.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 F3 P S -","- C31 H26 F3 P S -","- C62 H52 F6 P2 S2 -","2","1","","Pavelka, Laura C.; Baines, Kim M.","Facile synthesis of luminescent benzo-1,2-dihydrophosphinines from a phosphaalkene.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3294","3301","10.1039/c2dt11690a","","x-ray","0.71073","MoKα","","0.1064","0.0619","","","0.1745","0.2005","","","","","","1.07","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018169","16.9942","0.0007","16.9942","0.0007","16.6654","0.0011","90","","90","","120","","4168.2","0.4","150","2","150","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C64 H43 Au3 B Cu F4 N3 P3 -","- C64 H43 Au3 B Cu F4 N3 P3 -","- C192 H129 Au9 B3 Cu3 F12 N9 P9 -","3","0.333333","","Shakirova, Julia R.; Grachova, Elena V.; Gurzhiy, Vladislav V.; Koshevoy, Igor O.; Melnikov, Alexei S.; Sizova, Olga V.; Tunik, Sergey P.; Laguna, Antonio","Luminescent heterometallic gold-copper alkynyl complexes stabilized by tridentate phosphine.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2941","2949","10.1039/c2dt11710j","","","0.71073","MoKα","","0.0292","0.0231","","","0.0416","0.0427","","","","","","0.9","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018170","17.1541","0.0008","17.1541","0.0008","16.764","0.0008","90","","90","","120","","4272.1","0.3","170","2","170","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C64 H52 Au3 B Cu F4 O3 P3 -","- C64 H52 Au3 B Cu F4 O3 P3 -","- C192 H156 Au9 B3 Cu3 F12 O9 P9 -","3","0.333333","","Shakirova, Julia R.; Grachova, Elena V.; Gurzhiy, Vladislav V.; Koshevoy, Igor O.; Melnikov, Alexei S.; Sizova, Olga V.; Tunik, Sergey P.; Laguna, Antonio","Luminescent heterometallic gold-copper alkynyl complexes stabilized by tridentate phosphine.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2941","2949","10.1039/c2dt11710j","","","0.71073","MoKα","","0.0319","0.0217","","","0.0395","0.0412","","","","","","0.857","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018171","17.1354","0.0007","17.1354","0.0007","17.8646","0.0008","90","","90","","120","","4542.7","0.3","210","2","210","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C67 H52 Au3 B Cu F4 O6 P3 -","- C67 H52 Au3 B Cu F3.34 O6 P3 -","- C201 H156 Au9 B3 Cu3 F10.02 O18 P9 -","3","0.333333","","Shakirova, Julia R.; Grachova, Elena V.; Gurzhiy, Vladislav V.; Koshevoy, Igor O.; Melnikov, Alexei S.; Sizova, Olga V.; Tunik, Sergey P.; Laguna, Antonio","Luminescent heterometallic gold-copper alkynyl complexes stabilized by tridentate phosphine.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2941","2949","10.1039/c2dt11710j","","","0.71073","MoKα","","0.0515","0.0273","","","0.0436","0.0469","","","","","","0.791","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018172","32.587","0.0014","12.7586","0.0005","27.7173","0.0013","90","","117.313","0.006","90","","10239.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H124 N4 Na O8 Y -","- C86 H124 N4 Na O8 Y -","- C344 H496 N16 Na4 O32 Y4 -","4","0.5","","Liang, Zhenhua; Ni, Xufeng; Li, Xue; Shen, Zhiquan","Synthesis and characterization of benzoxazine-functionalized amine bridged bis(phenolate) lanthanide complexes and their application in the ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2812","2819","10.1039/c2dt11736c","","","0.71073","MoKα","","0.1094","0.0702","","","0.1875","0.208","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018173","32.2724","0.0008","12.5414","0.0002","27.4732","0.0006","90","","117.684","0.003","90","","9846.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H124 N4 Na O8 Yb -","- C86 H124 N4 Na O8 Yb -","- C344 H496 N16 Na4 O32 Yb4 -","4","0.5","","Liang, Zhenhua; Ni, Xufeng; Li, Xue; Shen, Zhiquan","Synthesis and characterization of benzoxazine-functionalized amine bridged bis(phenolate) lanthanide complexes and their application in the ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2812","2819","10.1039/c2dt11736c","","","0.71073","MoKα","","0.0325","0.0283","","","0.079","0.0813","","","","","","1.097","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018174","32.2263","0.0009","12.5493","0.0002","27.4684","0.0008","90","","117.893","0.004","90","","9818.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H124 Er N4 Na O8 -","- C86 H124 Er N4 Na O8 -","- C344 H496 Er4 N16 Na4 O32 -","4","0.5","","Liang, Zhenhua; Ni, Xufeng; Li, Xue; Shen, Zhiquan","Synthesis and characterization of benzoxazine-functionalized amine bridged bis(phenolate) lanthanide complexes and their application in the ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2812","2819","10.1039/c2dt11736c","","","0.71073","MoKα","","0.0298","0.0271","","","0.0817","0.0831","","","","","","1.134","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018175","16.6199","0.0005","18.4971","0.0006","19.0982","0.0007","88.399","0.003","81.357","0.003","75.77","0.002","5626.1","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H148 N4 Na O14 Y -","- C98 H148 N4 Na O14 Y -","- C196 H296 N8 Na2 O28 Y2 -","2","1","","Liang, Zhenhua; Ni, Xufeng; Li, Xue; Shen, Zhiquan","Synthesis and characterization of benzoxazine-functionalized amine bridged bis(phenolate) lanthanide complexes and their application in the ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2812","2819","10.1039/c2dt11736c","","","0.71073","MoKα","","0.0781","0.0545","","","0.1554","0.1701","","","","","","1.042","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018176","16.563","0.0004","18.4928","0.0004","19.0775","0.0005","88.251","0.002","81.427","0.002","75.735","0.002","5599.8","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H148 N4 Na O14 Yb -","- C98 H148 N4 Na O14 Yb -","- C196 H296 N8 Na2 O28 Yb2 -","2","1","","Liang, Zhenhua; Ni, Xufeng; Li, Xue; Shen, Zhiquan","Synthesis and characterization of benzoxazine-functionalized amine bridged bis(phenolate) lanthanide complexes and their application in the ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2812","2819","10.1039/c2dt11736c","","","0.71073","MoKα","","0.0492","0.0385","","","0.1004","0.1071","","","","","","1.113","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018177","7.4098","0.001","7.4098","0.001","17.084","0.003","90","","90","","90","","938","0.2","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C2 H1.5 Co0.25 N O0.5 -","- C2 H1.5 Co0.25 N O0.5 -","- C32 H24 Co4 N16 O8 -","16","1","","Zhang, Jing; Gao, Song; Zhang, Xi-Xiang; Wang, Zhe-Ming; Che, Chi-Ming","Weak ferromagnetism in chiral diamond-like neutral networks: Mn(2-pymS)(2) and Co(2-pymS)(2) (2-pymSH = 2-mercaptopyrimidine).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2626","2631","10.1039/c2dt11738j","","","0.71073","MoKα","","0.0358","0.029","","","0.066","0.0681","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7018178","7.7915","0.0003","7.7915","0.0003","16.5088","0.0009","90","","90","","90","","1002.21","0.08","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Co N4 S2 -","- C8 H6 Co N4 S2 -","- C32 H24 Co4 N16 S8 -","4","1","","Zhang, Jing; Gao, Song; Zhang, Xi-Xiang; Wang, Zhe-Ming; Che, Chi-Ming","Weak ferromagnetism in chiral diamond-like neutral networks: Mn(2-pymS)(2) and Co(2-pymS)(2) (2-pymSH = 2-mercaptopyrimidine).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2626","2631","10.1039/c2dt11738j","","","0.71073","MoKα","","0.0688","0.0301","","","0.0523","0.0611","","","","","","0.874","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018179","7.8413","0.0005","17.1764","0.001","7.8467","0.0005","90","","96.034","0.001","90","","1050.98","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Mn2 N8 S4 -","- C16 H12 Mn2 N8 S4 -","- C32 H24 Mn4 N16 S8 -","2","1","","Zhang, Jing; Gao, Song; Zhang, Xi-Xiang; Wang, Zhe-Ming; Che, Chi-Ming","Weak ferromagnetism in chiral diamond-like neutral networks: Mn(2-pymS)(2) and Co(2-pymS)(2) (2-pymSH = 2-mercaptopyrimidine).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2626","2631","10.1039/c2dt11738j","","","0.71073","MoKα","","0.0275","0.0271","","","0.0669","0.0672","","","","","","1.059","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018180","7.1087","0.0003","11.0927","0.0004","11.9697","0.0005","91.716","0.003","98.636","0.003","91.676","0.003","932.2","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Au O3 P -","- C21 H20 Au O3 P -","- C42 H40 Au2 O6 P2 -","2","1","","Tuchscherer, A.; Schaarschmidt, D.; Schulze, S.; Hietschold, M.; Lang, H.","Gold nanoparticles generated by thermolysis of ""all-in-one"" gold(i) carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2738","2746","10.1039/c2dt11748g","","","1.54184","CuKα","","0.0278","0.0277","","","0.0726","0.0727","","","","","","1.105","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018181","8.9363","0.0002","24.5432","0.0006","9.8595","0.0003","90","","92.335","0.002","90","","2160.64","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Au O4 P -","- C23 H24 Au O4 P -","- C92 H96 Au4 O16 P4 -","4","1","","Tuchscherer, A.; Schaarschmidt, D.; Schulze, S.; Hietschold, M.; Lang, H.","Gold nanoparticles generated by thermolysis of ""all-in-one"" gold(i) carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2738","2746","10.1039/c2dt11748g","","","1.54184","CuKα","","0.047","0.0405","","","0.1181","0.1283","","","","","","1.181","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018182","14.726","0.002","14.998","0.002","15.817","0.002","63.485","0.003","67.435","0.003","75.481","0.003","2873.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H85 N2 O4 Zn -","- C60 H85 N2 O4 Zn -","- C120 H170 N4 O8 Zn2 -","2","1","","Song, Shaodi; Zhang, Xingyu; Ma, Haiyan; Yang, Yang","Zinc complexes supported by claw-type aminophenolate ligands: synthesis, characterization and catalysis in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3266","3277","10.1039/c2dt11767c","","","0.71073","MoKα","","0.1531","0.072","","","0.1511","0.1823","","","","","","0.839","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018183","12.1491","0.0006","12.9634","0.0007","17.3393","0.0009","72.172","0.005","81.666","0.004","64.773","0.005","2351.4","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C85.3 H109.18 F K Mn4 O29.3 S8 -","- C85.296 H109.184 F K Mn4 O29.296 S8 -","- C85.296 H109.184 F K Mn4 O29.296 S8 -","1","0.5","","Lamouchi, Meriem; Jeanneau, Erwann; Pillonnet, Anne; Brioude, Arnaud; Martini, Matteo; Stéphan, Olivier; Meganem, Faouzi; Novitchi, Ghenadie; Luneau, Dominique; Desroches, Cédric","Tetranuclear manganese(ii) complexes of sulfonylcalix[4]arene macrocycles: synthesis, structure, spectroscopic and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2707","2713","10.1039/c2dt11786j","","","0.7107","MoKα","","0.0795","0.0633","","0.1617","0.1279","0.1617","","","","","","1.0042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018184","12.2087","0.0004","18.8106","0.0005","22.2153","0.0007","90","","105.222","0.003","90","","4922.8","0.3","100","","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C85.53 H111.12 K Mn4 O30.53 S8 -","- C85.5306 H111.122 K Mn4 O30.5306 S8 -","- C171.061 H222.245 K2 Mn8 O61.0612 S16 -","2","0.5","","Lamouchi, Meriem; Jeanneau, Erwann; Pillonnet, Anne; Brioude, Arnaud; Martini, Matteo; Stéphan, Olivier; Meganem, Faouzi; Novitchi, Ghenadie; Luneau, Dominique; Desroches, Cédric","Tetranuclear manganese(ii) complexes of sulfonylcalix[4]arene macrocycles: synthesis, structure, spectroscopic and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2707","2713","10.1039/c2dt11786j","","","0.7107","MoKα","","0.0757","0.0616","","0.1197","0.1016","0.1197","","","","","","1.0487","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018185","18.436","0.004","5.6121","0.0007","19.241","0.004","90","","97.222","0.017","90","","1975","0.6","210","2","210","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,6,7,12-Tetraazaperylene","1,6,7,12-Tetraazaperylene","","- C18 H10 Cl6 N4 -","- C18 H10 Cl6 N4 -","- C72 H40 Cl24 N16 -","4","0.5","","Brietzke, Thomas; Mickler, Wulfhard; Kelling, Alexandra; Holdt, Hans-Jürgen","Mono- and dinuclear ruthenium(ii) 1,6,7,12-tetraazaperylene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2788","2797","10.1039/c2dt11805j","","","0.71073","MoKα","","0.0524","0.0421","","","0.1033","0.1072","","","","","","1.127","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018186","10.9023","0.0013","12.5034","0.0014","16.734","0.0018","76.174","0.009","76.325","0.009","83.086","0.009","2147.3","0.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","bis(2,2'-Bipyridyl)(1,6,7,12-tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate)","bis(2,2'-Bipyridyl)(1,6,7,12-tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate)","","- C40.5 H29.5 F12 N8.5 P2 Ru -","- C37 H25.5 F12 N8.5 P2 Ru -","- C74 H51 F24 N17 P4 Ru2 -","2","1","","Brietzke, Thomas; Mickler, Wulfhard; Kelling, Alexandra; Holdt, Hans-Jürgen","Mono- and dinuclear ruthenium(ii) 1,6,7,12-tetraazaperylene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2788","2797","10.1039/c2dt11805j","","","0.71073","MoKα","","0.0484","0.0402","","","0.0959","0.0988","","","","","","0.994","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018187","11.4919","0.0008","13.2643","0.0009","18.561","0.0012","99.299","0.005","98.447","0.005","107.099","0.005","2611.4","0.3","210","2","210","2","","","","","","","","6","P -1","-P 1","2","bis(4,4'-Dimethyl-2,2'-bipyridyl)(1,6,7,12-tetraazaperylene)- ruthenium(ii) bis(hexafluorophosphate)","bis(4,4'-Dimethyl-2,2'-bipyridyl)(1,6,7,12-tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate)","","- C54 H48 F12 N8 P2 Ru -","- C54 H48 F12 N8 P2 Ru -","- C108 H96 F24 N16 P4 Ru2 -","2","1","","Brietzke, Thomas; Mickler, Wulfhard; Kelling, Alexandra; Holdt, Hans-Jürgen","Mono- and dinuclear ruthenium(ii) 1,6,7,12-tetraazaperylene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2788","2797","10.1039/c2dt11805j","","","0.71073","MoKα","","0.0508","0.0417","","","0.111","0.115","","","","","","1.026","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018188","11.6866","0.001","16.5502","0.0016","18.6083","0.0017","67.838","0.007","81.554","0.007","75.338","0.007","3219.4","0.5","210","2","210","2","","","","","","","","7","P -1","-P 1","2","bis(4,4'-Ditertbutyl-2,2'-bipyridyl)(1,6,7,12- tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate)","bis(4,4'-Ditertbutyl-2,2'-bipyridyl)(1,6,7,12-tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate)","","- C61 H75 F12 N8 O3.5 P2 Ru -","- C61 H75 F12 N8 O3.5 P2 Ru -","- C122 H150 F24 N16 O7 P4 Ru2 -","2","1","","Brietzke, Thomas; Mickler, Wulfhard; Kelling, Alexandra; Holdt, Hans-Jürgen","Mono- and dinuclear ruthenium(ii) 1,6,7,12-tetraazaperylene complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2788","2797","10.1039/c2dt11805j","","","0.71073","MoKα","","0.0817","0.0452","","","0.0822","0.0901","","","","","","0.859","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018189","8.63","0.0017","35.969","0.007","13.43","0.003","90","","97.55","0.03","90","","4132.7","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H37.5 F12 N2.5 O5 P2 Ru2 -","- C36.5 H37.5 F12 N2.5 O5 P2 Ru2 -","- C146 H150 F48 N10 O20 P8 Ru8 -","4","1","","Vajpayee, Vaishali; Song, Young Ho; Jung, Young Jun; Kang, Se Chan; Kim, Hyunuk; Kim, In Su; Wang, Ming; Cook, Timothy R.; Stang, Peter J.; Chi, Ki-Whan","Coordination-driven self-assembly of ruthenium-based molecular-rectangles: Synthesis, characterization, photo-physical and anticancer potency studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3046","3052","10.1039/c2dt11811d","","","0.9","synchrotron","","0.0679","0.055","","","0.1557","0.1656","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018190","17.34","0.004","19.132","0.004","31.698","0.006","101.78","0.03","92.9","0.03","114.66","0.03","9246","4","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C138 H181 Cu19 N O5 P3 S28 Sn12 -","- C138 H181 Cu19 N O5 P3 S28 Sn12 -","- C276 H362 Cu38 N2 O10 P6 S56 Sn24 -","2","1","","Eichhöfer, Andreas; Jiang, Jijun; Lebedkin, Sergei; Fenske, Dieter; McDonald, Daniel G.; Corrigan, John F.; Su, Cheng-Yong","A ternary Cu-Sn-S cluster complex-(NBu(4))[Cu(19)S(28)(SnPh)(12)(PEt(2)Ph)(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3321","3327","10.1039/c2dt11840h","","","0.71073","MoKα","","0.047","0.0336","","","0.0802","0.0848","","","","","","1.001","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018191","17.333","0.004","29.58","0.006","34.687","0.007","90","","93.33","0.03","90","","17754","7","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C122 H147 Cu19 Li O5 P3 S28 Sn12 -","- C122 H147 Cu19 Li O5 P3 S28 Sn12 -","- C488 H588 Cu76 Li4 O20 P12 S112 Sn48 -","4","1","","Eichhöfer, Andreas; Jiang, Jijun; Lebedkin, Sergei; Fenske, Dieter; McDonald, Daniel G.; Corrigan, John F.; Su, Cheng-Yong","A ternary Cu-Sn-S cluster complex-(NBu(4))[Cu(19)S(28)(SnPh)(12)(PEt(2)Ph)(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3321","3327","10.1039/c2dt11840h","","","0.71073","MoKα","","0.0502","0.0399","","","0.1202","0.1276","","","","","","0.981","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018192","7.60334","0.00007","8.21091","0.000073","8.53905","0.000074","90","","90","","90","","533.096","0.008","293","","293","","","","","","","","","4","P b a m","-P 2 2ab","55","Bi2MnAl6O14","Bi2MnAl6O14","","- Al11.82 Bi4 Mn2.18 O28 -","- Al12.1052 Bi4 Mn1.8948 O28 -","- Al12.1052 Bi4 Mn1.8948 O28 -","1","0.125","","Yang, Tao; Petricek, Vaclav; Wan, Wei; Wei, Zidong; Sun, Junliang","Mullite-derivative Bi(2)Mn(x)Al(7-x)O(14) (xσim 1): structure determination by powder X-ray diffraction from a multi-phase sample.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2884","2889","10.1039/c2dt11855f","powder diffraction","","1.5406","CuKα1","","","","","","","","","1.958","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018193","8.7411","0.0004","9.4953","0.0004","10.2409","0.0005","94.511","0.002","99.974","0.002","94.849","0.002","830.37","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H23 N2 O2 P S2 -","- C10 H23 N2 O2 P S2 -","- C20 H46 N4 O4 P2 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann","N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3223","3232","10.1039/c2dt11862a","","","0.71073","MoKα","","0.0322","0.0276","","","0.077","0.0811","","","","","","1.027","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018194","7.6949","0.0008","17.153","0.002","13.2985","0.0013","90","","90.175","0.01","90","","1755.3","0.3","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 N3 O2 P S2 -","- C13 H22 N3 O2 P S2 -","- C52 H88 N12 O8 P4 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann","N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3223","3232","10.1039/c2dt11862a","","","0.71073","MoKα","","0.0424","0.0394","","","0.105","0.1073","","","","","","1.159","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018195","9.6981","0.0005","16.1422","0.001","13.1345","0.0006","90","","111.037","0.003","90","","1919.14","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N2 O2 P S2 -","- C15 H25 N2 O2 P S2 -","- C60 H100 N8 O8 P4 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann","N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3223","3232","10.1039/c2dt11862a","","","0.71073","MoKα","","0.0937","0.0507","","","0.1116","0.1351","","","","","","1.019","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018196","10.2581","0.0006","13.1606","0.0007","14.9343","0.0008","90.718","0.003","107.751","0.003","93.285","0.002","1916.07","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H26 N3 O2 P S2 -","- C15 H26 N3 O2 P S2 -","- C60 H104 N12 O8 P4 S8 -","4","2","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann","N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3223","3232","10.1039/c2dt11862a","","","0.71073","MoKα","","0.0781","0.0577","","","0.1412","0.1522","","","","","","1.084","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018197","7.7008","0.0009","20.249","0.003","12.5512","0.0017","90","","95.99","0.006","90","","1946.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N2 O4 P S2 -","- C15 H23 N2 O4 P S2 -","- C60 H92 N8 O16 P4 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann","N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3223","3232","10.1039/c2dt11862a","","","0.71073","MoKα","","0.0411","0.032","","","0.0787","0.0845","","","","","","1.021","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018198","14.3388","0.0007","6.9545","0.0004","33.6884","0.0018","90","","90","","90","","3359.4","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 N3 O2 P S2 -","- C12 H20 N3 O2 P S2 -","- C96 H160 N24 O16 P8 S16 -","8","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann","N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3223","3232","10.1039/c2dt11862a","","","0.71073","MoKα","","0.0697","0.0403","","","0.0896","0.103","","","","","","1.013","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018199","11.576","0.005","7.98","0.003","21.461","0.005","90","","119.29","0.02","90","","1729","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 N2 O4 Pt -","- C12 H20 Cl2 N2 O4 Pt -","- C48 H80 Cl8 N8 O16 Pt4 -","4","1","","Ravera, Mauro; Gabano, Elisabetta; Zanellato, Ilaria; Bonarrigo, Ilaria; Escribano, Esther; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Osella, Domenico","Synthesis, characterization and antiproliferative activity on mesothelioma cell lines of bis(carboxylato)platinum(iv) complexes based on picoplatin.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3313","3320","10.1039/c2dt11874b","","","0.71073","MoKα","","0.0325","0.0308","","","0.0826","0.0853","","","","","","1.097","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018200","24.654","0.004","11.8666","0.0017","14.493","0.002","90","","104.051","0.013","90","","4113.2","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Au2 F6 N3 P3 -","- C44 H36 Au2 F6 N3 P3 -","- C176 H144 Au8 F24 N12 P12 -","4","0.5","","Serratrice, Maria; Edafe, Fabio; Mendes, Filipa; Scopelliti, Rosario; Zakeeruddin, Shaik Mohammed; Grätzel, Michael; Santos, Isabel; Cinellu, Maria Agostina; Casini, Angela","Cytotoxic gold compounds: synthesis, biological characterization and investigation of their inhibition properties of the zinc finger protein PARP-1.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3287","3293","10.1039/c2dt11913g","","","0.71073","MoKα","","0.1186","0.1014","","","0.2502","0.2593","","","","","","1.161","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018201","7.956","0.002","11.887","0.002","13.184","0.002","91.152","0.016","90.206","0.018","100.16","0.016","1227","0.4","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C26 H25 Cl2 O P Pt -","- C26 H24 Cl2 O P Pt -","- C52 H48 Cl4 O2 P2 Pt2 -","2","1","","Benedetti, Michele; Barone, Carmen R.; Antonucci, Daniela; Vecchio, Vita M.; Ienco, Andrea; Maresca, Luciana; Natile, Giovanni; Fanizzi, Francesco P.","Modulation of properties in analogues of Zeise's anion on changing the ligand trans to ethene. X-Ray crystal structures of trans-[PtCl(2)(OH)(η(2)-C(2)H(4))](-) and trans-[PtCl(2)(η(1)-CH(2)NO(2))(η(2)-C(2)H(4))](-).","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3014","3021","10.1039/c2dt11934j","","x-ray","0.71069","MoKα","","0.0781","0.059","","","0.1287","0.1335","","","","","","1.52","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018202","17.81","0.0004","7.417","0.0001","19.225","0.0006","90","","91.915","0.002","90","","2538.14","0.1","150","2","150","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C27 H26 Cl2 N O2 P Pt -","- C27 H26 Cl2 N O2 P Pt -","- C108 H104 Cl8 N4 O8 P4 Pt4 -","4","1","","Benedetti, Michele; Barone, Carmen R.; Antonucci, Daniela; Vecchio, Vita M.; Ienco, Andrea; Maresca, Luciana; Natile, Giovanni; Fanizzi, Francesco P.","Modulation of properties in analogues of Zeise's anion on changing the ligand trans to ethene. X-Ray crystal structures of trans-[PtCl(2)(OH)(η(2)-C(2)H(4))](-) and trans-[PtCl(2)(η(1)-CH(2)NO(2))(η(2)-C(2)H(4))](-).","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3014","3021","10.1039/c2dt11934j","","x-ray","0.71069","MoKα","","0.0382","0.0339","","","0.0735","0.077","","","","","","1.023","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018203","13.571","0.003","13.571","0.003","9.322","0.002","90","","90","","120","","1486.8","0.6","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Br4 Cs1.11 O1.78 Tc -","- Br4 Cs1.111 O1.781 Tc -","- Br24 Cs6.666 O10.686 Tc6 -","6","1","","Poineau, Frederic; Forster, Paul M.; Todorova, Tanya K.; Gagliardi, Laura; Sattelberger, Alfred P.; Czerwinski, Kenneth R.","Multi-configurational quantum chemical studies of the Tc(2)X(8)(n-) (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3(-)).","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2869","2872","10.1039/c2dt11952h","","","0.71073","MoKα","","0.0283","0.0276","","","0.0646","0.0647","","","","","","1.23","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018204","7.9466","0.0002","8.7775","0.0002","12.6693","0.0003","99.095","0.002","90.065","0.002","101.329","0.002","855.11","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 N2 O9 Re2 -","- C12 H6 N2 O9 Re2 -","- C24 H12 N4 O18 Re4 -","2","1","","Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2747","2754","10.1039/c2dt11974a","","","0.71073","MoKα","","0.0289","0.0237","","","0.0608","0.0625","","","","","","0.995","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018205","9.0464","0.0002","9.3184","0.0002","12.2154","0.0003","111.511","0.002","91.287","0.002","96.573","0.002","949.4","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O9 Re2 -","- C14 H10 N2 O9 Re2 -","- C28 H20 N4 O18 Re4 -","2","1","","Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2747","2754","10.1039/c2dt11974a","","","0.71073","MoKα","","0.024","0.0168","","","0.0394","0.0407","","","","","","0.956","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018206","15.0972","0.0005","20.2743","0.0007","8.5553","0.0003","90","","90","","90","","2618.65","0.16","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H26 Br N2 O4 Re -","- C25 H26 Br N2 O4 Re -","- C100 H104 Br4 N8 O16 Re4 -","4","0.5","","Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2747","2754","10.1039/c2dt11974a","","","0.71073","MoKα","","0.0347","0.0245","","","0.0574","0.0591","","","","","","0.922","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018207","11.0693","0.0002","10.303","0.0002","23.0176","0.0004","90","","90.486","0.002","90","","2624.99","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N2 O5 Re -","- C27 H33 N2 O5 Re -","- C108 H132 N8 O20 Re4 -","4","1","","Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2747","2754","10.1039/c2dt11974a","","","0.71073","MoKα","","0.0285","0.0233","","","0.0594","0.0632","","","","","","0.997","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018208","8.2595","0.0002","10.7162","0.0003","13.2087","0.0003","90","","98.183","0.003","90","","1157.2","0.05","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N2 O4 Re -","- C7 H6 Br N2 O4 Re -","- C28 H24 Br4 N8 O16 Re4 -","4","1","","Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2747","2754","10.1039/c2dt11974a","","","0.71073","MoKα","","0.0306","0.0246","","","0.0618","0.0675","","","","","","1.054","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018209","17.6499","0.0004","17.6537","0.0004","8.6473","0.0002","90","","100.798","0.002","90","","2646.67","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Br N2 O4 Re -","- C25 H24 Br N2 O4 Re -","- C100 H96 Br4 N8 O16 Re4 -","4","1","","Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2747","2754","10.1039/c2dt11974a","","","0.71073","MoKα","","0.0422","0.0338","","","0.1143","0.1255","","","","","","0.978","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018210","9.2048","0.0004","9.2048","0.0004","28.69","0.0017","90","","90","","90","","2430.9","0.2","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C80 H128 N16 S16 -","8","1","","Siemeling, Ulrich; Memczak, Henry; Bruhn, Clemens; Vogel, Florian; Träger, Frank; Baio, Joe E.; Weidner, Tobias","Zwitterionic dithiocarboxylates derived from N-heterocyclic carbenes: coordination to gold surfaces.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2986","2994","10.1039/c2dt11976e","","","0.71073","MoKα","","0.036","0.0338","","","0.0853","0.0862","","","","","","1.027","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018211","11.5106","0.0015","18.013","0.002","16.037","0.002","90","","91.115","0.01","90","","3324.5","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C144 H128 N16 S16 -","8","2","","Siemeling, Ulrich; Memczak, Henry; Bruhn, Clemens; Vogel, Florian; Träger, Frank; Baio, Joe E.; Weidner, Tobias","Zwitterionic dithiocarboxylates derived from N-heterocyclic carbenes: coordination to gold surfaces.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2986","2994","10.1039/c2dt11976e","","","0.71073","MoKα","","0.1338","0.0812","","","0.2047","0.2333","","","","","","0.933","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018212","9.1788","0.001","14.294","0.0013","13.2075","0.0016","90","","94.883","0.009","90","","1726.6","0.3","218","2","218","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl3 N2 S2 -","- C13 H15 Cl3 N2 S2 -","- C52 H60 Cl12 N8 S8 -","4","1","","Siemeling, Ulrich; Memczak, Henry; Bruhn, Clemens; Vogel, Florian; Träger, Frank; Baio, Joe E.; Weidner, Tobias","Zwitterionic dithiocarboxylates derived from N-heterocyclic carbenes: coordination to gold surfaces.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2986","2994","10.1039/c2dt11976e","","","0.71073","MoKα","","0.1038","0.0717","","","0.1864","0.2048","","","","","","1.006","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018213","6.8944","0.0006","7.2219","0.0006","10.8294","0.0009","99.751","0.002","99.996","0.002","90.041","0.002","523.09","0.08","200","0.2","200","0.2","","","","","","","","4","P -1","-P 1","2","","","","- Mo2 O12 Pb2 Se2 -","- Mo2 O12 Pb2 Se2 -","- Mo4 O24 Pb4 Se4 -","2","1","","Oh, Seung-Jin; Lee, Dong Woo; Ok, Kang Min","PbMSeO(6) (M = Mo and W): New quaternary mixed metal selenites with asymmetric cationic coordination environments.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2995","3000","10.1039/c2dt11977c","","","0.71073","MoKα","","0.0667","0.0441","","","0.0935","0.126","","","","","","1.014","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018214","13.9305","0.0003","13.9305","0.0003","43.3326","0.0018","90","","90","","120","","7282.5","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 N18 Zn -","- C54 H50 B2 N18 Zn -","- C324 H300 B12 N108 Zn6 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0331","0.0297","","","0.0806","0.0834","","","","","","1.06","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018215","10.952","0.003","10.952","0.003","13.883","0.004","90","","90","","120","","1442.1","0.7","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H54 B2 Br2 N18 O Zn2 -","- C55 H54 B2 Br2 N18 O Zn2 -","- C55 H54 B2 Br2 N18 O Zn2 -","1","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0316","0.0274","","","0.0696","0.0722","","","","","","1.058","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018216","13.9385","0.0009","13.9385","0.0009","43.155","0.006","90","","90","","120","","7261","1.2","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 N18 Ni -","- C54 H50 B2 N18 Ni -","- C324 H300 B12 N108 Ni6 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0452","0.0378","","","0.1002","0.1062","","","","","","1.034","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018217","37.1971","0.0018","13.2418","0.0006","25.1526","0.0012","90","","107.412","0.0007","90","","11821.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H52 B2 Cl2 N18 Ni -","- C55 H52 B2 Cl2 N18 Ni -","- C440 H416 B16 Cl16 N144 Ni8 -","8","1","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0552","0.0409","","","0.1065","0.1122","","","","","","1.072","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018218","12.1457","0.001","16.6085","0.0013","13.3465","0.001","90","","90.63","0.002","90","","2692.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 B Cl N9 Ni O -","- C27 H27 B Cl N9 Ni O -","- C108 H108 B4 Cl4 N36 Ni4 O4 -","4","1","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0811","0.0543","","","0.1258","0.1413","","","","","","1.037","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018219","24.899","0.003","13.9223","0.0018","16.092","0.002","90","","120.321","0.0019","90","","4815.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 B2 Cu N18 -","- C54 H50 B2 Cu N18 -","- C216 H200 B8 Cu4 N72 -","4","0.5","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0483","0.0382","","","0.0875","0.0947","","","","","","1.033","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018220","10.177","0.002","10.959","0.002","11.986","0.002","67.639","0.006","86.395","0.005","77.426","0.005","1206.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 B2 Cu N18 -","- C54 H50 B2 Cu N18 -","- C54 H50 B2 Cu N18 -","1","0.5","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.072","0.0475","","","0.1042","0.1166","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018221","13.8978","0.0015","13.8978","","43.178","0.005","90","","90","","120","","7222.5","1.1","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 Co N18 -","- C54 H50 B2 Co N18 -","- C324 H300 B12 Co6 N108 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0534","0.0394","","","0.0963","0.1049","","","","","","1.034","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018222","10.5094","0.0016","10.5276","0.0017","19.314","0.004","101.173","0.003","96.336","0.003","114.198","0.002","1868.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H42 B2 Cl4 Co N18 -","- C25.999 H41.998 B2 Cl3.998 Co N18 -","- C51.998 H83.996 B4 Cl7.996 Co2 N36 -","2","1","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0713","0.0593","","","0.1648","0.1777","","","","","","1.065","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018223","13.9034","0.0004","13.9034","0.0004","43.507","0.003","90","","90","","120","","7283.4","0.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 Fe N18 -","- C54 H50 B2 Fe N18 -","- C324 H300 B12 Fe6 N108 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0403","0.0336","","","0.0858","0.091","","","","","","1.042","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018224","13.8711","0.0008","13.8711","0.0008","43.853","0.005","90","","90","","120","","7307.2","1","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H50 B2 Mn N18 -","- C54 H50 B2 Mn N18 -","- C324 H300 B12 Mn6 N108 -","6","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0504","0.0378","","","0.0935","0.1036","","","","","","1.069","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018225","14.174","0.007","14.165","0.007","9.265","0.005","90","","106.194","0.01","90","","1786.4","1.6","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br I2 Se -","- C18 H13 Br I2 Se -","- C72 H52 Br4 I8 Se4 -","4","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.0685","0.0493","","","","0.1936","","","","","","1.022","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018226","10.87","0.005","11.404","0.006","11.938","0.006","106.223","0.007","91.894","0.008","108.294","0.009","1337.2","1.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Br6 Se2 -","- C24 H18 Br6 Se2 -","- C48 H36 Br12 Se4 -","2","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.147","0.1066","","","","0.3337","","","","","","1.203","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018227","10.822","0.008","11.568","0.008","11.94","0.01","81.42","0.03","73.07","0.03","71.07","0.03","1350.2","1.8","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C24.25 H18.5 Br4 Cl0.5 S Se -","- C24.25 H18 Br4 Cl0.5 S Se -","- C48.5 H36 Br8 Cl S2 Se2 -","2","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.1292","0.0866","","","","0.2791","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018228","9.555","0.005","8.242","0.004","28.147","0.014","90","","97.39","0.013","90","","2198.2","1.9","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 I2 Se2 -","- C24 H18 I2 Se2 -","- C96 H72 I8 Se8 -","4","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.1343","0.0952","","","","0.3043","","","","","","1.274","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018229","9.578","0.004","8.184","0.003","28.084","0.01","90","","96.485","0.009","90","","2187.3","1.4","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 I2 S Se -","- C24 H18 I2 S Se -","- C96 H72 I8 S4 Se4 -","4","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.0529","0.0411","","","","0.1625","","","","","","1.215","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018230","15.745","0.007","10.066","0.004","22.162","0.009","90","","90","","90","","3512","3","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H13 Br3 Te -","- C18 H13 Br3 Te -","- C144 H104 Br24 Te8 -","8","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.0988","0.0801","","","","0.2488","","","","","","1.405","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018231","26.071","0.007","9.378","0.002","15.682","0.004","90","","105.281","0.005","90","","3698.6","1.6","125","","125","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Br I2 Te -","- C18 H13 Br I2 Te -","- C144 H104 Br8 I16 Te8 -","8","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.0468","0.0379","","","","0.149","","","","","","1.267","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018232","12.516","0.005","12.616","0.005","14.436","0.006","90","","112.682","0.008","90","","2103.2","1.5","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br2 S Te -","- C24 H18 Br2 S Te -","- C96 H72 Br8 S4 Te4 -","4","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.1251","0.095","","","","0.2857","","","","","","1.34","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018233","12.68","0.004","12.776","0.003","14.386","0.004","90","","113.068","0.006","90","","2144.2","1","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br2 Se Te -","- C24 H18 Br2 Se Te -","- C96 H72 Br8 Se4 Te4 -","4","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.0535","0.0453","","","","0.1624","","","","","","1.129","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018234","11.129","0.006","16.603","0.009","12.582","0.007","90","","102.416","0.01","90","","2270","2","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 I2 S Te -","- C24 H18 I2 S Te -","- C96 H72 I8 S4 Te4 -","4","1","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.1013","0.0758","","","","0.2488","","","","","","1.289","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018235","11.079","0.003","14.105","0.004","16.134","0.005","82.21","0.02","78.41","0.02","77.42","0.02","2399.4","1.2","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.05 H18.1 Cl0.1 I2 Se Te -","- C24.05 H18.1 Cl0.1 I2 Se Te -","- C96.2 H72.4 Cl0.4 I8 Se4 Te4 -","4","2","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.0941","0.0664","","","0.1888","0.2394","","","","","","1.205","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018236","11.599","0.003","23.952","0.006","17.983","0.004","90","","95.095","0.007","90","","4976","2","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H21.5 Br2 N0.5 O1.5 Te2 -","- C25.5 H21.5 Br2 N0.5 O1.5 Te2 -","- C204 H172 Br16 N4 O12 Te16 -","8","2","","Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3154","3165","10.1039/c2dt12031c","","","0.71075","MoKα","","0.0403","0.0329","","","","0.0692","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018237","12.7706","0.0006","16.2518","0.0008","15.7973","0.0008","90","","102.127","0.005","90","","3205.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cl Fe I N4 -","- C31 H40 Cl Fe I N4 -","- C124 H160 Cl4 Fe4 I4 N16 -","4","1","","Zlatogorsky, Sergey; Ingleson, Michael J.","Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2685","2693","10.1039/c2dt12048h","","","0.71073","MoKα","","0.1697","0.0854","","","0.1985","0.2342","","","","","","1.013","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018238","19.641","0.006","13.9423","0.0016","16.592","0.005","90","","135.8","0.06","90","","3168","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H46 B2 N4 -","- C31 H46 B2 N4 -","- C124 H184 B8 N16 -","4","0.5","","Zlatogorsky, Sergey; Ingleson, Michael J.","Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2685","2693","10.1039/c2dt12048h","","","0.71073","MoKα","","0.1627","0.067","","","0.1513","0.181","","","","","","0.878","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018239","13.8268","0.0006","9.5632","0.0005","31.8206","0.0017","90","","98.163","0.005","90","","4165","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H70 B2 N4 -","- C43 H70 B2 N4 -","- C172 H280 B8 N16 -","4","1","","Zlatogorsky, Sergey; Ingleson, Michael J.","Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2685","2693","10.1039/c2dt12048h","","","0.71073","MoKα","","0.1475","0.0939","","","0.2496","0.2728","","","","","","1.048","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018240","10.658","0.0005","19.9015","0.0007","17.2833","0.0011","90","","99.984","0.005","90","","3610.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Fe N4 O3 -","- C40 H40 Fe N4 O3 -","- C160 H160 Fe4 N16 O12 -","4","1","","Zlatogorsky, Sergey; Ingleson, Michael J.","Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2685","2693","10.1039/c2dt12048h","","","0.71073","MoKα","","0.0653","0.0443","","","0.0978","0.1083","","","","","","1.053","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018241","9.8336","0.0009","16.747","0.002","25.057","0.003","90","","90","","90","","4126.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H62 B Fe N4 -","- C44 H62 B Fe N4 -","- C176 H248 B4 Fe4 N16 -","4","1","","Zlatogorsky, Sergey; Ingleson, Michael J.","Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2685","2693","10.1039/c2dt12048h","","","0.71073","MoKα","","0.112","0.0725","","","0.1743","0.2013","","","","","","1.033","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018242","14.295","0.002","23.9333","0.001","24.0891","0.0015","90","","90","","90","","8241.5","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H57 Fe I N4 -","- C45 H57 Fe I N4 -","- C360 H456 Fe8 I8 N32 -","8","1","","Zlatogorsky, Sergey; Ingleson, Michael J.","Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2685","2693","10.1039/c2dt12048h","","","0.71073","MoKα","","0.0504","0.0303","","","0.0701","0.0749","","","","","","0.924","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018243","18.0899","0.0016","12.209","0.002","18.3131","0.0019","90","","90","","90","","4044.6","0.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H38 F12 N6 P2 Ru -","- C38 H38 F12 N6 P2 Ru -","- C152 H152 F48 N24 P8 Ru4 -","4","0.5","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","2,2':6',2''-Terpyridine substituted in the 4'-position by the solubilizing and sterically demanding tert-butyl group: a surprisingly new ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2890","2897","10.1039/c2dt12142e","","","0.71073","MoKα","","0.0753","0.0695","","","0.1674","0.171","","","","","","1.216","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018244","18.2002","0.0011","12.1791","0.0006","18.2223","0.001","90","","90","","90","","4039.2","0.4","123","","123","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H38 F12 N6 P2 Zn -","- C38 H38 F12 N6 P2 Zn -","- C152 H152 F48 N24 P8 Zn4 -","4","0.5","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","2,2':6',2''-Terpyridine substituted in the 4'-position by the solubilizing and sterically demanding tert-butyl group: a surprisingly new ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2890","2897","10.1039/c2dt12142e","","","0.71073","MoKα","","0.1007","0.05","","0.0694","0.0407","0.0444","","","","","","1.1218","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018245","12.2325","0.0014","10.0731","0.0011","13.1592","0.0014","90","","108.435","0.005","90","","1538.3","0.3","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","2,2':6',2''-Terpyridine substituted in the 4'-position by the solubilizing and sterically demanding tert-butyl group: a surprisingly new ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2890","2897","10.1039/c2dt12142e","","","0.71073","MoKα","","0.1008","0.0476","","0.126","0.0506","0.0455","","","","","","1.13","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018246","9.4392","0.0007","10.0591","0.0007","11.412","0.0009","100.489","0.006","106.83","0.006","103.425","0.006","971.99","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N4 O11 Zn2 -","- C42 H28 N4 O11 Zn2 -","- C42 H28 N4 O11 Zn2 -","1","0.5","","Zhu, Wenting; He, Cheng; Wu, Pengyan; Wu, Xiao; Duan, Chunying","""Click"" post-synthetic modification of metal-organic frameworks with chiral functional adduct for heterogeneous asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","3072","3077","10.1039/c2dt12153k","","","0.71073","MoKα","","0.0792","0.0576","","","0.1439","0.1568","","","","","","1.025","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018247","10.5547","0.001","12.3943","0.0011","11.5831","0.0011","90","","111.126","0.005","90","","1413.4","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 N2 Ni S2 -","- C11 H24 N2 Ni S2 -","- C44 H96 N8 Ni4 S8 -","4","1","","Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna","Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2720","2731","10.1039/c2dt12169g","","","0.71073","MoKα","","0.0829","0.044","","","0.1022","0.118","","","","","","0.956","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018248","10.4046","0.0012","10.9123","0.0012","13.8838","0.0016","87.671","0.002","78.132","0.002","72.023","0.002","1466.9","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H40 I2 N4 Ni O4 S2 -","- C17 H40 I2 N4 Ni O4 S2 -","- C34 H80 I4 N8 Ni2 O8 S4 -","2","1","","Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna","Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2720","2731","10.1039/c2dt12169g","","","0.71073","MoKα","","0.0564","0.049","","","0.1386","0.1446","","","","","","1.036","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018249","11.2811","0.0009","12.8465","0.0008","15.4674","0.0013","90","","83.251","0.004","90","","2226","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 I2 N4 Ni O2 S2 -","- C13 H28 I2 N4 Ni O2 S2 -","- C52 H112 I8 N16 Ni4 O8 S8 -","4","1","","Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna","Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2720","2731","10.1039/c2dt12169g","","","0.71073","MoKα","","0.1071","0.0641","","","0.1383","0.1548","","","","","","1.089","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018250","14.669","0.005","16.306","0.005","7.034","0.002","90","","90","","90","","1682.5","0.9","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H19 N2 Ni O12 -","- C10 H13 N2 Ni O12 -","- C40 H52 N8 Ni4 O48 -","4","1","","Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna","Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2720","2731","10.1039/c2dt12169g","","","0.71073","MoKα","","0.0409","0.0368","","","0.0941","0.0959","","","","","","1.064","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018251","9.487","0.006","7.862","0.005","18.145","0.013","90","","90","","90","","1353.4","1.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H22 N2 Ni S2 -","- C10 H22 N2 Ni S2 -","- C40 H88 N8 Ni4 S8 -","4","0.5","","Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna","Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2720","2731","10.1039/c2dt12169g","","","0.71073","MoKα","","0.1009","0.0632","","","0.1451","0.1641","","","","","","0.966","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018252","23.493","0.004","13.745","0.002","14.021","0.003","90","","115.996","0.003","90","","4069.5","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Co N3 O9 -","- C21 H14 Co N3 O9 -","- C168 H112 Co8 N24 O72 -","8","1","","Zhao, Jun; Li, Dong-Sheng; Ke, Xi-Jun; Liu, Bin; Zou, Kun; Hu, Huai-Ming","Auxiliary ligand-directed structural variation from 2D→3D polythreaded net to 3-fold interpenetrating 3D pillar-layered framework: Syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2560","2563","10.1039/c2dt12170k","","","0.71073","MoKα","","0.0697","0.0509","","","0.1069","0.1135","","","","","","1.052","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018253","10.9824","0.001","12.3083","0.0011","13.3287","0.0012","111.07","0.0015","103.886","0.0016","105.95","0.0015","1496.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Co3 N12 O30 -","- C56 H48 Co3 N12 O30 -","- C56 H48 Co3 N12 O30 -","1","0.5","","Zhao, Jun; Li, Dong-Sheng; Ke, Xi-Jun; Liu, Bin; Zou, Kun; Hu, Huai-Ming","Auxiliary ligand-directed structural variation from 2D→3D polythreaded net to 3-fold interpenetrating 3D pillar-layered framework: Syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2560","2563","10.1039/c2dt12170k","","","0.71073","MoKα","","0.071","0.0584","","","0.1479","0.1563","","","","","","1.042","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018254","17.5507","0.0006","14.8203","0.0005","16.0963","0.0005","90","","108.949","0.001","90","","3959.9","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N2 Ni O7 -","- C18 H13 N2 Ni O6.49 -","- C144 H104 N16 Ni8 O51.92 -","8","1","","Liu, Bo; Hou, Lei; Wang, Yao-Yu; Miao, Hui; Bao, Li; Shi, Qi-Zhen","Dynamic porous coordination polymer based on 2D stacked layers exhibiting high sorption selectivity for CO(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3209","3213","10.1039/c2dt12198k","","","0.71073","MoKα","","0.0411","0.0378","","","0.108","0.1106","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018255","19.4789","0.0003","19.4789","0.0003","45.507","0.0012","90","","90","","120","","14953.3","0.5","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C57 H33 Mg3 N3 O13 -","- C57 H33 Mg3 N3 O13 -","- C342 H198 Mg18 N18 O78 -","6","0.166667","","Zhai, Quanguo; Lin, Qipu; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui; Feng, Pingyun","Induction of trimeric [Mg(3)(OH)(CO(2))(6)] in a porous framework by a desymmetrized tritopic ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2866","2868","10.1039/c2dt12215d","","","0.71073","MoKα","","0.0951","0.0772","","","0.2337","0.2446","","","","","","1.123","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018256","14.339","0.003","7.3906","0.0015","28.086","0.008","90","","109.38","0.03","90","","2807.7","1.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Hg I N S -","- C10 H16 Hg I N S -","- C80 H128 Hg8 I8 N8 S8 -","8","2","","Zheng, Ai-Xia; Li, Hong-Xi; Hou, Kai-Peng; Shi, Jing; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping","Reactions of a methylmercury zwitterionic thiolate complex [MeHg(Tab)]PF(6) with various donor ligands: relevance to methylmercury detoxification.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2699","2706","10.1039/c2dt12219g","","","0.71073","MoKα","","0.0607","0.0444","","","0.1107","0.1193","","","","","","0.988","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018257","6.9713","0.0014","21.564","0.004","10.158","0.004","90","","113.92","0.02","90","","1395.9","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Hg N2 S2 -","- C11 H16 Hg N2 S2 -","- C44 H64 Hg4 N8 S8 -","4","1","","Zheng, Ai-Xia; Li, Hong-Xi; Hou, Kai-Peng; Shi, Jing; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping","Reactions of a methylmercury zwitterionic thiolate complex [MeHg(Tab)]PF(6) with various donor ligands: relevance to methylmercury detoxification.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2699","2706","10.1039/c2dt12219g","","","0.71073","MoKα","","0.0489","0.0457","","","0.1268","0.1298","","","","","","1.142","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018258","17.975","0.004","11.308","0.002","12.905","0.003","90","","105.36","0.03","90","","2529.4","1","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 F6 Hg N2 P S2 -","- C19 H29 F6 Hg N2 P S2 -","- C76 H116 F24 Hg4 N8 P4 S8 -","4","1","","Zheng, Ai-Xia; Li, Hong-Xi; Hou, Kai-Peng; Shi, Jing; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping","Reactions of a methylmercury zwitterionic thiolate complex [MeHg(Tab)]PF(6) with various donor ligands: relevance to methylmercury detoxification.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2699","2706","10.1039/c2dt12219g","","","0.71073","MoKα","","0.0814","0.0653","","","0.1666","0.1787","","","","","","1.075","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018259","27.196","0.005","12.152","0.002","23.754","0.005","90","","99.35","0.03","90","","7746","3","223","2","223","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C226 H332 F72 Hg6 N28 O2 P12 S24 -","- C226 H327 F72 Hg6 N28 O2 P12 S24 -","- C226 H327 F72 Hg6 N28 O2 P12 S24 -","1","0.5","","Zheng, Ai-Xia; Li, Hong-Xi; Hou, Kai-Peng; Shi, Jing; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping","Reactions of a methylmercury zwitterionic thiolate complex [MeHg(Tab)]PF(6) with various donor ligands: relevance to methylmercury detoxification.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2699","2706","10.1039/c2dt12219g","","","0.71073","MoKα","","0.0808","0.0687","","","0.1616","0.1746","","","","","","1.047","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018260","30.175","0.0018","14.917","0.0009","20.013","0.002","90","","125.908","0.001","90","","7296.3","1","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","complex1Dy2","","","- C73 H60 Dy2 N8 O15 -","- C73 H52 Dy2 N8 O15 -","- C292 H208 Dy8 N32 O60 -","4","0.5","","Zou, Lifei; Zhao, Lang; Chen, Peng; Guo, Yun-Nan; Guo, Yang; Li, Yun-Hui; Tang, Jinkui","Phenoxido and alkoxido-bridged dinuclear dysprosium complexes showing single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2966","2971","10.1039/c2dt12235a","","","0.71073","MoKα","","0.1011","0.0716","","","0.2031","0.2323","","","","","","1.039","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018261","17.858","0.0006","10.8931","0.0004","23.2797","0.0008","90","","95.8582","0.0004","90","","4504.9","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","complex2Dy2","","","- C42 H39 Dy2 N11 O12 -","- C42 H39 Dy2 N11 O12 -","- C168 H156 Dy8 N44 O48 -","4","0.5","","Zou, Lifei; Zhao, Lang; Chen, Peng; Guo, Yun-Nan; Guo, Yang; Li, Yun-Hui; Tang, Jinkui","Phenoxido and alkoxido-bridged dinuclear dysprosium complexes showing single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2966","2971","10.1039/c2dt12235a","","","0.71073","MoKα","","0.021","0.0188","","","0.0454","0.0464","","","","","","1.043","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018262","11.9245","0.0001","11.9245","0.0001","16.302","0.0005","90","","90","","120","","2007.48","0.07","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C4 H12 N3 Ni1.5 O10 -","- C4 H12 N3 Ni1.5 O10 -","- C24 H72 N18 Ni9 O60 -","6","1","","Zheng, Wenxu; Wei, Yongqin; Xiao, Xueying; Wu, Kechen","Spontaneous asymmetric crystallization of a quartz-type framework from achiral precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3138","3140","10.1039/c2dt12238c","","","0.71073","MoKα","","0.047","0.0444","","","0.1223","0.1249","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018263","44.698","0.008","43.079","0.007","8.486","0.001","90","","90","","90","","16340","4","296","","296","","","","","","","","","6","F d d 2","F 2 -2d","43","Corrphycene","","","- C42 H54 Cl Fe N6 O4 -","- C42 H54 Cl Fe N6 O4 -","- C672 H864 Cl16 Fe16 N96 O64 -","16","1","","Ohgo, Yoshiki; Neya, Saburo; Hashizume, Daisuke; Ozeki, Tomoji; Nakamura, Mikio","Unusual electronic structure of bis-isocyanide complexes of iron(iii) porphyrinoids.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3126","3129","10.1039/c2dt12249a","","","0.68878","Synchrotron","","0.0822","0.0521","","","0.1208","0.1423","","","","","","0.948","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018264","19.281","0.006","16.711","0.005","7.302","0.002","90","","110.917","0.004","90","","2197.7","1.1","296","","296","","","","","","","","","6","C 1 2 1","C 2y","5","Porphycene","","","- C42 H54 Cl Fe N6 O4 -","- C42 H54 Cl Fe N6 O4 -","- C84 H108 Cl2 Fe2 N12 O8 -","2","0.5","","Ohgo, Yoshiki; Neya, Saburo; Hashizume, Daisuke; Ozeki, Tomoji; Nakamura, Mikio","Unusual electronic structure of bis-isocyanide complexes of iron(iii) porphyrinoids.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3126","3129","10.1039/c2dt12249a","","","0.71073","MoKα","","0.0568","0.0487","","","0.1318","0.142","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018265","22.0466","0.0002","22.0466","0.0002","36.772","0.0007","90","","90","","90","","17873.1","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C43 H26 In3 O16.5 -","- C43 H26 In3 O16.5 -","- C344 H208 In24 O132 -","8","1","","Yang, Hui; Wang, Fei; Kang, Yao; Li, Tie-Hu; Zhang, Jian","A microporous indium-organic framework with high capacity and selectivity for CO(2) or organosulfurs.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2873","2876","10.1039/c2dt12261h","","","0.71073","MoKα","","0.0831","0.0562","","","0.1588","0.1799","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018266","9.109","0.002","12.802","0.003","13.188","0.002","88.37","0.01","76.9","0.02","84.81","0.02","1491.7","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cu N2 S2 -","- C38 H30 Cu N2 S2 -","- C76 H60 Cu2 N4 S4 -","2","1","","Gennari, Marcello; Pécaut, Jacques; Collomb, Marie-Noëlle; Duboc, Carole","A copper thiolate centre for electron transfer: mononuclear vs. dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3130","3133","10.1039/c2dt12355j","","","0.71073","MoKα","","0.0941","0.0653","","0.0711","","0.0672","","","1.93","","","1.93","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018267","15.7411","0.0004","14.8294","0.0004","32.7134","0.0013","90","","91.33","0.003","90","","7634.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H80 Cu2 K2 N4 O2.5 S4 -","- C86 H80 Cu2 K2 N4 O2.5 S4 -","- C344 H320 Cu8 K8 N16 O10 S16 -","4","1","","Gennari, Marcello; Pécaut, Jacques; Collomb, Marie-Noëlle; Duboc, Carole","A copper thiolate centre for electron transfer: mononuclear vs. dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3130","3133","10.1039/c2dt12355j","","","0.71073","MoKα","","0.1498","0.0635","","","0.1499","0.1607","","","","","","0.95","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018268","10.8233","0.0016","15.163","0.002","18.137","0.003","82.755","0.002","74.833","0.002","71.208","0.002","2716.9","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br2 Cd Cl2 N4 -","- C26 H26 Br2 Cd Cl2 N4 -","- C104 H104 Br8 Cd4 Cl8 N16 -","4","2","","du Plessis, Marike; Barbour, Leonard J.","Supramolecular isomerism and solvatomorphism in a novel coordination compound.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3895","3898","10.1039/c1dt11564b","","","0.71073","MoKα","","0.0933","0.0683","","","0.1721","0.1823","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018269","14.7707","0.0016","10.721","0.0012","18.482","0.002","90","","111.354","0.001","90","","2725.8","0.5","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H27 Br2 Cd N5 -","- C27 H27 Br2 Cd N5 -","- C108 H108 Br8 Cd4 N20 -","4","1","","du Plessis, Marike; Barbour, Leonard J.","Supramolecular isomerism and solvatomorphism in a novel coordination compound.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3895","3898","10.1039/c1dt11564b","","","0.71073","MoKα","","0.0209","0.0182","","","0.0445","0.0454","","","","","","1.025","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018270","15.1378","0.0011","10.9825","0.0008","18.4356","0.0013","90","","112.655","0.001","90","","2828.4","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H31 Br2 Cd N5 O -","- C28 H31 Br2 Cd N5 O -","- C112 H124 Br8 Cd4 N20 O4 -","4","1","","du Plessis, Marike; Barbour, Leonard J.","Supramolecular isomerism and solvatomorphism in a novel coordination compound.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3895","3898","10.1039/c1dt11564b","","","0.71073","MoKα","","0.0199","0.0171","","","0.0411","0.0419","","","","","","1.037","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018271","22.286","0.002","19.845","0.002","34.29","0.004","90","","90.968","0.003","90","","15163","3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H114 N6 O24 S5 Zn7 -","- C100 H108 N6 O24 S5 Zn7 -","- C400 H432 N24 O96 S20 Zn28 -","4","1","","Zhu, Chengfeng; Xuan, Weimin; Cui, Yong","Luminescent microporous metal-metallosalen frameworks with the primitive cubic net.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3928","3932","10.1039/c1dt11584g","","","0.71073","MoKα","","0.1541","0.0752","","","0.1597","0.1756","","","","","","1.028","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018272","23.0013","0.0006","14.0578","0.0004","31.238","0.0008","90","","90.881","0.002","90","","10099.5","0.5","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H73 N11 O21 Zn4 -","- C90 H73 N11 O21 Zn4 -","- C360 H292 N44 O84 Zn16 -","4","1","","Zhu, Chengfeng; Xuan, Weimin; Cui, Yong","Luminescent microporous metal-metallosalen frameworks with the primitive cubic net.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3928","3932","10.1039/c1dt11584g","","","1.54178","CuKα","","0.1151","0.106","","","0.2829","0.2906","","","","","","0.993","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018273","8.395","0.003","10.642","0.003","11.454","0.003","68.371","0.007","88.574","0.007","87.024","0.009","949.9","0.5","223.2","","223.2","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N5 O9 Rh -","- C15 H16 N5 O9 Rh -","- C30 H32 N10 O18 Rh2 -","2","1","","Inoki, Daisuke; Matsumoto, Takahiro; Hayashi, Hideki; Takashita, Keisuke; Nakai, Hidetaka; Ogo, Seiji","Establishing the mechanism of Rh-catalysed activation of O(2) by H(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4328","4334","10.1039/c1dt11599e","","","0.7107","MoKα","","","0.0222","","","","0.0634","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018274","6.83","0.002","12.518","0.003","12.608","0.003","112.088","0.002","99.879","0.003","101.268","0.001","943.3","0.4","123.2","","123.2","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 F3 N4 O3 Rh S -","- C18 H14 F3 N4 O3 Rh S -","- C36 H28 F6 N8 O6 Rh2 S2 -","2","1","","Inoki, Daisuke; Matsumoto, Takahiro; Hayashi, Hideki; Takashita, Keisuke; Nakai, Hidetaka; Ogo, Seiji","Establishing the mechanism of Rh-catalysed activation of O(2) by H(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4328","4334","10.1039/c1dt11599e","","","0.7107","MoKα","","","0.0204","","","","0.0584","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018275","10.768","0.001","11.938","0.001","12.47","0.001","96.933","0.0001","107.793","0.003","112.75","0.004","1354.5","0.2","123.2","","123.2","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H34 F12 N10 O14 Rh2 S4 -","- C42 H34 F12 N10 O14 Rh2 S4 -","- C42 H34 F12 N10 O14 Rh2 S4 -","1","0.5","","Inoki, Daisuke; Matsumoto, Takahiro; Hayashi, Hideki; Takashita, Keisuke; Nakai, Hidetaka; Ogo, Seiji","Establishing the mechanism of Rh-catalysed activation of O(2) by H(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4328","4334","10.1039/c1dt11599e","","","0.7107","MoKα","","","0.0359","","","","0.0911","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018276","20.29839","0.00017","7.33083","0.00008","11.69125","0.00015","90","","104.958","0.0012","90","","1680.75","0.03","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from C:/GSASSoln/MIL-53(Sc)/JMEX256-LT/Geomopt/p2c.cif","","","- C8 O5 Sc -","- C8 O5 Sc -","- C64 O40 Sc8 -","8","2","","Mowat, John P. S.; Seymour, Valerie R.; Griffin, John M.; Thompson, Stephen P.; Slawin, Alexandra M. Z.; Fairen-Jimenez, David; Düren, Tina; Ashbrook, Sharon E.; Wright, Paul A.","A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3937","3941","10.1039/c1dt11729g","powder diffraction","x-ray","0.825028","synchrotron","","","","","","","","0.08622","","7.68","","","","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018277","20.32979","0.00019","7.32576","0.00008","11.83829","0.00016","90","","105.206","0.0012","90","","1701.36","0.03","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from C:/GSASSoln/MIL-53(Sc)/JMEX256/RT/Rebin/P21CNEW1F.cif","","","- C8 O5 Sc -","- C8 O5 Sc -","- C64 O40 Sc8 -","8","2","","Mowat, John P. S.; Seymour, Valerie R.; Griffin, John M.; Thompson, Stephen P.; Slawin, Alexandra M. Z.; Fairen-Jimenez, David; Düren, Tina; Ashbrook, Sharon E.; Wright, Paul A.","A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3937","3941","10.1039/c1dt11729g","powder diffraction","x-ray","0.825028","synchrotron","","","","","","","","0.05419","","6.73","","","","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018278","20.53822","0.00025","7.29921","0.00012","12.56044","0.00025","90","","106.551","0.0017","90","","1804.95","0.05","573","","573","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from C:/GSASSoln/MIL-53(Sc)/JMEX256/300C/Rebin/P21CNEW1F.cif","","","- C8 O5 Sc -","- C8 O5 Sc -","- C64 O40 Sc8 -","8","2","","Mowat, John P. S.; Seymour, Valerie R.; Griffin, John M.; Thompson, Stephen P.; Slawin, Alexandra M. Z.; Fairen-Jimenez, David; Düren, Tina; Ashbrook, Sharon E.; Wright, Paul A.","A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3937","3941","10.1039/c1dt11729g","powder diffraction","x-ray","0.825028","synchrotron","","","","","","","","0.05549","","6.21","","","","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018279","21.50501","0.00026","6.63008","0.00007","7.27431","0.0002","90","","113.543","0.0014","90","","950.84","0.03","623","","623","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","from C:/GSASSoln/Diamond-i11-2010/JM-DATA/MIL-53- JMEX256/350C/Fe-M","","","- C8 O5 Sc -","- C8 O5 Sc -","- C32 O20 Sc4 -","4","0.5","","Mowat, John P. S.; Seymour, Valerie R.; Griffin, John M.; Thompson, Stephen P.; Slawin, Alexandra M. Z.; Fairen-Jimenez, David; Düren, Tina; Ashbrook, Sharon E.; Wright, Paul A.","A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3937","3941","10.1039/c1dt11729g","powder diffraction","x-ray","0.825","synchrotron","","","","","","","","0.10722","","5.03","","","","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018280","18.279","0.007","7.33","0.003","11.601","0.004","90","","90","","90","","1554.4","1","93","","93","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 N O8 Sc -","- C8 N O8 Sc -","- C32 N4 O32 Sc4 -","4","0.25","","Mowat, John P. S.; Seymour, Valerie R.; Griffin, John M.; Thompson, Stephen P.; Slawin, Alexandra M. Z.; Fairen-Jimenez, David; Düren, Tina; Ashbrook, Sharon E.; Wright, Paul A.","A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3937","3941","10.1039/c1dt11729g","","","0.71075","MoKα","","0.0778","0.0676","","","0.2135","0.2253","","","","","","1.211","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018281","18.261","0.002","18.261","0.002","11.857","0.003","90","","90","","90","","3953.9","1.2","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","tetrakis(miu3-6-isoquinolinoxo)-tetrakis (methanol)-tetra- lithium","tetrakis(miu3-6-isoquinolinoxo)-tetrakis (methanol)-tetra-lithium","","- C40 H40 Li4 N4 O8 -","- C40 H40 Li4 N4 O8 -","- C160 H160 Li16 N16 O32 -","4","0.25","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.1054","0.0842","","","0.2207","0.2391","","","","","","1.071","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018282","24.4815","0.0019","24.8772","0.0017","17.9408","0.0015","90","","133.02","","90","","7988.5","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetrakis(miu3-6-quinolinoxo)-tetrakis(methanol)-tetra-lithium","tetrakis(miu3-6-quinolinoxo)- tetrakis(methanol)-tetra-lithium","","- C40 H40 Li4 N4 O8 -","- C40 H40 Li4 N4 O8 -","- C320 H320 Li32 N32 O64 -","8","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.1349","0.0763","","","0.1986","0.2362","","","","","","1.025","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018283","11.4137","0.0005","11.4137","0.0005","14.4242","0.0013","90","","90","","90","","1879.1","0.2","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","tetrakis(miu3-4-quinolinoxo)-tetrakis(methanol)-tetra-lithium","tetrakis(miu3-4-quinolinoxo)- tetrakis(methanol)-tetra-lithium","","- C40 H40 Li4 N4 O8 -","- C40 H40 Li4 N4 O8 -","- C80 H80 Li8 N8 O16 -","2","0.25","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.0457","0.0425","","","0.1094","0.1125","","","","","","1.055","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018284","11.836","0.002","13.981","0.003","15.105","0.003","102.449","0.013","108.956","0.013","102.803","0.013","2190.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","tetrakis(miu3-5-quinolinoxo)-tetrakis(methanol)-tetra-lithium","tetrakis(miu3-5-quinolinoxo)- tetrakis(methanol)-tetra-lithium","","- C40 H40 Li4 N4 O8 -","- C40 H40 Li4 N4 O8 -","- C80 H80 Li8 N8 O16 -","2","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.1678","0.0774","","","0.1715","0.2013","","","","","","0.827","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018285","15.9156","0.0005","17.0505","0.0007","16.1674","0.0005","90","","90","","90","","4387.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrakis(miu3-5-quinolinoxo)-tetrakis(methanol)-tetra-lithium","tetrakis(miu3-5-quinolinoxo)- tetrakis(methanol)-tetra-lithium","","- C40 H40 Li4 N4 O8 -","- C40 H40 Li4 N4 O8 -","- C160 H160 Li16 N16 O32 -","4","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.1189","0.0615","","","0.165","0.1864","","","","","","0.934","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018286","10.3245","0.0013","11.0182","0.0012","17.927","0.003","93.664","0.008","98.51","0.009","97.06","0.008","1994.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","tetrakis(miu3-7-isoquinolinoxo)-tetrakis(methanol)-tetra- lithium","tetrakis(miu3-7-isoquinolinoxo)- tetrakis(methanol)-tetra-lithium","","- C40 H40 Li4 N4 O8 -","- C40 H40 Li4 N4 O8 -","- C80 H80 Li8 N8 O16 -","2","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.1713","0.0689","","","0.1489","0.1805","","","","","","0.906","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018287","11.051","0.004","13.239","0.005","14.003","0.005","88.476","0.005","82.428","0.004","79.801","0.005","1998.7","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","tetrakis(miu3-7-isoquinolinoxo)-tetrakis(methanol)-tetra- lithium","tetrakis(miu3-7-isoquinolinoxo)- tetrakis(methanol)-tetra-lithium","","- C40 H40 Li4 N4 O8 -","- C40 H40 Li4 N4 O8 -","- C80 H80 Li8 N8 O16 -","2","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.1285","0.0684","","","0.1807","0.2065","","","","","","0.953","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018288","16.813","0.007","16.813","0.007","16.561","0.019","90","","90","","90","","4681","6","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","tetrakis(miu3-4-(4-pyridyl)phenoxo)-tetrakis(methanol)-tetra- lithium","tetrakis(miu3-4-(4-pyridyl)phenoxo)- tetrakis(methanol)-tetra-lithium","","- C48 H48 Li4 N4 O8 -","- C48 H48 Li4 N4 O8 -","- C192 H192 Li16 N16 O32 -","4","0.25","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.1663","0.0972","","","0.2486","0.2927","","","","","","0.971","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018289","17.7886","0.0004","8.5114","0.0002","19.2578","0.0005","90","","90","","90","","2915.74","0.12","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","tetrakis(miu3-4-pyridinoxo)-tetrakis(methanol)-tetra-lithium","tetrakis(miu3-4-pyridinoxo)- tetrakis(methanol)-tetra-lithium","","- C24 H32 Li4 N4 O8 -","- C24 H32 Li4 N4 O8 -","- C96 H128 Li16 N16 O32 -","4","0.5","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.0997","0.0769","","","0.2207","0.2448","","","","","","1.062","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018290","16.7927","0.0008","16.7927","0.0008","25.9583","0.001","90","","90","","90","","7320.1","0.6","100","2","100","2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C100 H123 Cl8 Mn4 N16 Ni4 O57.5 -","- C96 H72 Cl4 Mn4 N16 Ni4 O36 -","- C192 H144 Cl8 Mn8 N32 Ni8 O72 -","2","0.125","","Alexandropoulos, Dimitris I.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Mukherjee, Shreya; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Christou, George; Stamatatos, Theocharis C.","""Squaring the clusters"": a Mn(III)(4)Ni(II)(4) molecular square from nickel(ii)-induced structural transformation of a Mn(II/III/IV)(12) cage.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4744","4747","10.1039/c2dt00030j","","","0.71073","MoKα","","0.0946","0.0751","","","0.1964","0.212","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018291","17.9483","0.0003","21.9148","0.0003","21.9379","0.0004","90","","98.882","0.002","90","","8525.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C156 H121 Cl3 Mn12 N30 O34 -","- C148 H115 Cl3 Mn12 N26 O37 -","- C296 H230 Cl6 Mn24 N52 O74 -","2","0.5","","Alexandropoulos, Dimitris I.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Mukherjee, Shreya; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Christou, George; Stamatatos, Theocharis C.","""Squaring the clusters"": a Mn(III)(4)Ni(II)(4) molecular square from nickel(ii)-induced structural transformation of a Mn(II/III/IV)(12) cage.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4744","4747","10.1039/c2dt00030j","","","0.71073","MoKα","","0.0592","0.0428","","","0.1187","0.1236","","","","","","0.961","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018292","10.0247","0.0002","28.8156","0.0004","20.0865","0.0004","90","","103.282","0.002","90","","5647.14","0.18","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C67 H48 Ag F3 N6 O3 P2 S -","- C67 H48 Ag F3 N6 O3 P2 S -","- C268 H192 Ag4 F12 N24 O12 P8 S4 -","4","0.5","","Tan, Xin; Chen, Xue; Zhang, Jianyong; Su, Cheng-Yong","Luminescent coordination polymer gels based on rigid terpyridyl phosphine and Ag(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3616","3619","10.1039/c2dt00035k","","","1.54178","CuKα","","0.0313","0.0278","","","0.0676","0.0711","","","","","","1.055","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018293","10.2064","0.0002","28.9067","0.0004","20.2929","0.0005","90","","105.763","0.002","90","","5761.9","0.2","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 Ag B F4 N6 O2 P2 -","- C66 H48 Ag B F4 N6 O2 P2 -","- C264 H192 Ag4 B4 F16 N24 O8 P8 -","4","0.5","","Tan, Xin; Chen, Xue; Zhang, Jianyong; Su, Cheng-Yong","Luminescent coordination polymer gels based on rigid terpyridyl phosphine and Ag(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3616","3619","10.1039/c2dt00035k","","","1.54178","CuKα","","0.0523","0.0459","","","0.1201","0.1273","","","","","","1.024","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018294","13.664","0.003","13.618","0.003","16.954","0.003","90","","110.74","0.03","90","","2950.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H59 Mn4 O65 Ru6 -","- C12 H32 Mn4 O65 Ru6 -","- C24 H64 Mn8 O130 Ru12 -","2","0.5","","Liu, Bin; Jin, Jin; Liu, Xue-Mei; Hu, Huai-Ming; Ding, Tuo; Zhang, Na; Jia, Yan-Yan; Xue, Gang-Lin","A diruthenium soft ferromagnet showing T(c) = 3.0 K: Mn(4)(H(2)O)(16)H[Ru(2)(CO(3))(4)](2)[Ru(2)(CO(3))(4)(H(2)O)(2)]·11H(2)O.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4748","4750","10.1039/c2dt00048b","","","0.71073","MoKα","","0.043","0.0395","","","0.0875","0.0889","","","","","","1.16","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018295","9.9345","0.0001","7.2398","0.0001","30.0756","0.0005","90","","108.139","0.001","90","","2055.65","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Co N6 O8 -","- C18 H22 Co N6 O8 -","- C72 H88 Co4 N24 O32 -","4","1","","Fielden, John; Long, De-Liang; Speldrich, Manfred; Kögerler, Paul; Cronin, Leroy","[Co(x)Cu(1-x)(DDOP)(OH(2))(NO(3))](NO(3)): hydrogen bond-driven distortion of cobalt(ii) by solid solution 'network mismatch'.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4927","4934","10.1039/c2dt11055e","","","0.71073","MoKα","","0.0428","0.0381","","","0.0919","0.0951","","","","","","1.026","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018296","10.0362","0.0003","7.3893","0.0002","29.2108","0.0006","90","","109.246","0.002","90","","2045.22","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu N6 O8 -","- C18 H22 Cu N6 O8 -","- C72 H88 Cu4 N24 O32 -","4","1","","Fielden, John; Long, De-Liang; Speldrich, Manfred; Kögerler, Paul; Cronin, Leroy","[Co(x)Cu(1-x)(DDOP)(OH(2))(NO(3))](NO(3)): hydrogen bond-driven distortion of cobalt(ii) by solid solution 'network mismatch'.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4927","4934","10.1039/c2dt11055e","","","0.71073","MoKα","","0.0438","0.0314","","","0.0766","0.0813","","","","","","1.021","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018297","9.9335","0.0003","7.3304","0.0002","29.8838","0.0009","90","","108.133","0.002","90","","2067.97","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N6 O8 Zn -","- C18 H22 N6 O8 Zn -","- C72 H88 N24 O32 Zn4 -","4","1","","Fielden, John; Long, De-Liang; Speldrich, Manfred; Kögerler, Paul; Cronin, Leroy","[Co(x)Cu(1-x)(DDOP)(OH(2))(NO(3))](NO(3)): hydrogen bond-driven distortion of cobalt(ii) by solid solution 'network mismatch'.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4927","4934","10.1039/c2dt11055e","","","0.71073","MoKα","","0.0557","0.0406","","","0.0874","0.0936","","","","","","1.035","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018298","10.017","0.0002","7.3572","0.0001","29.4159","0.0007","90","","109.045","0.001","90","","2049.2","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Co0.4 Cu0.6 N6 O8 -","- C18 H22 Co0.4 Cu0.6 N6 O8 -","- C72 H88 Co1.6 Cu2.4 N24 O32 -","4","1","","Fielden, John; Long, De-Liang; Speldrich, Manfred; Kögerler, Paul; Cronin, Leroy","[Co(x)Cu(1-x)(DDOP)(OH(2))(NO(3))](NO(3)): hydrogen bond-driven distortion of cobalt(ii) by solid solution 'network mismatch'.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4927","4934","10.1039/c2dt11055e","","","0.71073","MoKα","","0.0421","0.0346","","","0.0782","0.0812","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018299","10.9327","0.0006","16.7419","0.0006","16.6176","0.0009","90","","93.925","0.005","90","","3034.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl8 N6 Ni2 O2 -","- C18 H22 Cl8 N6 Ni2 O2 -","- C72 H88 Cl32 N24 Ni8 O8 -","4","1","","Cheng, Ting-Peng; Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Dinickel(ii) complexes: Preparation and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3468","3473","10.1039/c2dt11398h","","","0.71073","MoKα","","0.0955","0.0592","","","0.1764","0.1878","","","","","","1.125","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018300","14.7648","0.0001","14.7648","0.0001","36.4182","0.0006","90","","90","","120","","6875.5","0.13","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C68 H106 Cl16 N18 Ni6 O12 -","- C68 H106 Cl16 N18 Ni6 O12 -","- C204 H318 Cl48 N54 Ni18 O36 -","3","0.5","","Cheng, Ting-Peng; Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Dinickel(ii) complexes: Preparation and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3468","3473","10.1039/c2dt11398h","","","0.71073","MoKα","","0.0603","0.0541","","","0.1542","0.1587","","","","","","1.124","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018301","9.6506","0.0016","9.5436","0.0017","29.633","0.005","90","","92.169","0.004","90","","2727.3","0.8","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImPF6","","","- C22 H43 F6 N2 P -","- C22 H43 F6 N2 P -","- C88 H172 F24 N8 P4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.2122","0.1039","","","0.3062","0.3894","","","","","","1.013","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018302","9.5645","0.0013","9.862","0.0015","28.969","0.004","90","","94.4","0.003","90","","2724.5","0.7","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImAsF6","","","- C22 H43 As F6 N2 -","- C22 H43 As F6 N2 -","- C88 H172 As4 F24 N8 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1466","0.0886","","","0.272","0.3324","","","","","","1.08","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018303","9.6973","0.0007","9.9933","0.0007","28.991","0.002","90","","95.2424","0.0016","90","","2797.7","0.3","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImSbF6","","","- C22 H43 F6 N2 Sb -","- C22 H43 F6 N2 Sb -","- C88 H172 F24 N8 Sb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0816","0.05","","","0.1514","0.177","","","","","","1.051","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018304","9.5882","0.0011","10.0041","0.0014","28.871","0.003","90","","95.094","0.003","90","","2758.4","0.6","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImNbF6","","","- C22 H43 F6 N2 Nb -","- C22 H43 F6 N2 Nb -","- C88 H172 F24 N8 Nb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1582","0.0885","","","0.2576","0.3264","","","","","","1.018","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018305","9.6813","0.0008","10.0074","0.0009","29.014","0.003","90","","95.112","0.002","90","","2799.8","0.4","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImTaF6","","","- C22 H43 F6 N2 Ta -","- C22 H43 F6 N2 Ta -","- C88 H172 F24 N8 Ta4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0976","0.0469","","","0.1136","0.1406","","","","","","0.994","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018306","9.74","0.002","9.526","0.002","29.916","0.007","90","","90.578","0.005","90","","2775.6","1","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImPF6","","","- C22 H43 F6 N2 P -","- C22 H43 F6 N2 P -","- C88 H172 F24 N8 P4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.2395","0.1341","","","0.3577","0.4298","","","","","","1.122","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018307","9.7983","0.0011","9.6239","0.0013","29.575","0.003","90","","91.6869","0.0018","90","","2787.7","0.6","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImAsF6","","","- C22 H43 As F6 N2 -","- C22 H43 As F6 N2 -","- C88 H172 As4 F24 N8 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.181","0.0853","","","0.241","0.3303","","","","","","0.933","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018308","9.986","0.0013","9.8314","0.0014","29.36","0.004","90","","92.795","0.002","90","","2879","0.7","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImSbF6","","","- C22 H43 F6 N2 Sb -","- C22 H43 F6 N2 Sb -","- C88 H172 F24 N8 Sb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1207","0.0691","","","0.2048","0.2652","","","","","","0.995","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018309","9.838","0.003","9.772","0.003","29.126","0.008","90","","93.286","0.006","90","","2795.5","1.4","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImNbF6","","","- C22 H43 F6 N2 Nb -","- C22 H43 F6 N2 Nb -","- C88 H172 F24 N8 Nb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1995","0.0832","","","0.209","0.2955","","","","","","0.951","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018310","9.949","0.001","9.7952","0.001","29.289","0.003","90","","92.81","0.002","90","","2850.9","0.5","328","","328","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImTaF6","","","- C22 H43 F6 N2 Ta -","- C22 H43 F6 N2 Ta -","- C88 H172 F24 N8 Ta4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1414","0.0495","","","0.119","0.1673","","","","","","0.88","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018311","9.1715","0.0007","9.8807","0.0008","28.52","0.002","90","","95.707","0.002","90","","2571.7","0.3","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImPF6","","","- C22 H43 F6 N2 P -","- C22 H43 F6 N2 P -","- C88 H172 F24 N8 P4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.1","0.0465","","","0.1059","0.1532","","","","","","1.117","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018312","9.1894","0.0002","9.9779","0.0003","28.5321","0.0007","90","","96.0148","0.0007","90","","2601.73","0.12","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImAsF6","","","- C22 H43 As F6 N2 -","- C22 H43 As F6 N2 -","- C88 H172 As4 F24 N8 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0681","0.0418","","","0.0981","0.119","","","","","","1.126","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018313","9.2091","0.0003","10.1539","0.0005","28.525","0.001","90","","96.2477","0.001","90","","2651.48","0.18","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImSbF6","","","- C22 H43 F6 N2 Sb -","- C22 H43 F6 N2 Sb -","- C88 H172 F24 N8 Sb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0297","0.0262","","","0.0656","0.0676","","","","","","1.049","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018314","9.1865","0.0005","10.1457","0.0007","28.4689","0.0015","90","","96.1335","0.0016","90","","2638.2","0.3","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImNbF6","","","- C22 H43 F6 N2 Nb -","- C22 H43 F6 N2 Nb -","- C88 H172 F24 N8 Nb4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0776","0.047","","","0.1125","0.1454","","","","","","1.097","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018315","9.21","0.0003","10.1744","0.0003","28.4495","0.0011","90","","96.1688","0.0011","90","","2650.46","0.16","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C18MImTaF6","","","- C22 H43 F6 N2 Ta -","- C22 H43 F6 N2 Ta -","- C88 H172 F24 N8 Ta4 -","4","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3494","3502","10.1039/c2dt11693f","","","0.71073","MoKα","","0.0425","0.0349","","","0.11","0.138","","","","","","1.076","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018316","10.8043","0.0006","10.9164","0.0006","11.7847","0.0006","76.473","0.001","82.956","0.001","73.34","0.001","1292.34","0.12","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H44 Au2 F6 O6 P4 S2 -","- C54 H44 Au2 F6 O6 P4 S2 -","- C54 H44 Au2 F6 O6 P4 S2 -","1","0.5","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0221","0.0217","","","0.0583","0.0586","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018317","13.2194","0.0007","12.9069","0.0007","15.6042","0.0008","90","","101.736","0.001","90","","2606.8","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H22 Au2 Br2 P2 -","- C26 H22 Au2 Br2 P2 -","- C104 H88 Au8 Br8 P8 -","4","1","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0265","0.0259","","","0.0624","0.0626","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018318","13.34","0.004","12.988","0.004","16.396","0.005","90","","103.629","0.006","90","","2760.8","1.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H22 Au2 I2 P2 -","- C26 H22 Au2 I2 P2 -","- C104 H88 Au8 I8 P8 -","4","1","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0651","0.0554","","","0.136","0.1427","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018319","17.6151","0.0008","9.3424","0.0004","19.5736","0.0009","90","","111.397","0.001","90","","2999.2","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Au F6 I2 P3 -","- C26 H22 Au F6 I2 P3 -","- C104 H88 Au4 F24 I8 P12 -","4","1","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0425","0.0338","","","0.0889","0.0942","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018320","12.62","0.0011","13.6183","0.0011","16.819","0.0014","72.088","0.002","73.716","0.002","82.431","0.002","2636.8","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H82 Au8 Cl10 O8 P8 -","- C106 H82 Au8 Cl10 O8 P8 -","- C106 H82 Au8 Cl10 O8 P8 -","1","0.5","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0783","0.0555","","","0.1194","0.1291","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018321","19.2584","0.0002","19.2584","0.0002","32.3309","0.0005","90","","90","","90","","11991.1","0.3","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C108.5 H89 Au4 Cl9 F24 P12 -","- C104 H80 Au4 F18 P11 -","- C416 H320 Au16 F72 P44 -","4","0.25","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0703","0.0468","","","0.1484","0.1586","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018322","19.9108","0.0002","19.9108","0.0002","39.4563","0.0007","90","","90","","120","","13546.4","0.3","100","2","100","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C88 H80 Au3 Cl14 F9 O9 P6 S3 -","- C80 H66 Au3 F6 O6 P6 S2 -","- C480 H396 Au18 F36 O36 P36 S12 -","6","0.333333","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0276","0.0256","","","0.0618","0.0626","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018323","10.4666","0.0001","42.1309","0.0004","17.505","0.0002","90","","91.2101","0.0004","90","","7717.41","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","aja0804","","","- C70 H63 Cl4 N17 O20 S4 Zn2 -","- C70 H63 Cl4 N17 O20 S4 Zn2 -","- C280 H252 Cl16 N68 O80 S16 Zn8 -","4","1","","Saad, Fawaz A.; Buurma, Niklaas J.; Amoroso, Angelo J.; Knight, James C.; Kariuki, Benson M.","Co-ordination behaviour of a novel bisthiourea tripodal ligand: structural, spectroscopic and electrochemical properties of a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4608","4617","10.1039/c2dt11732k","","","0.71073","MoKα","","0.1262","0.08","","","0.2002","0.2425","","","","","","1.055","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018324","12.6653","0.0006","18.0877","0.0009","18.86","0.001","90","","96.484","0.003","90","","4292.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H37 Cl2 N9 Ni O11 S2 -","- C37.5 H36 Cl2 N9 Ni O11 S2 -","- C150 H144 Cl8 N36 Ni4 O44 S8 -","4","1","","Saad, Fawaz A.; Buurma, Niklaas J.; Amoroso, Angelo J.; Knight, James C.; Kariuki, Benson M.","Co-ordination behaviour of a novel bisthiourea tripodal ligand: structural, spectroscopic and electrochemical properties of a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4608","4617","10.1039/c2dt11732k","","","0.71073","MoKα","","0.1188","0.0941","","","0.1777","0.1865","","","","","","1.257","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018325","16.424","0.0003","10.823","0.0002","22.975","0.0006","90","","97.76","0.001","90","","4046.57","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cd Cl2 N9 O10 S2 -","- C36 H33 Cd Cl2 N9 O10 S2 -","- C144 H132 Cd4 Cl8 N36 O40 S8 -","4","1","","Saad, Fawaz A.; Buurma, Niklaas J.; Amoroso, Angelo J.; Knight, James C.; Kariuki, Benson M.","Co-ordination behaviour of a novel bisthiourea tripodal ligand: structural, spectroscopic and electrochemical properties of a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4608","4617","10.1039/c2dt11732k","","","0.71073","MoKα","","0.1457","0.0598","","","0.1186","0.1465","","","","","","0.994","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018326","14.069","0.0006","11.806","0.0004","22.126","0.0009","90","","90.4","0.01","90","","3675","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl2 Co N8 O10 S2 -","- C34 H30 Cl2 Co N8 O10 S2 -","- C136 H120 Cl8 Co4 N32 O40 S8 -","4","1","","Saad, Fawaz A.; Buurma, Niklaas J.; Amoroso, Angelo J.; Knight, James C.; Kariuki, Benson M.","Co-ordination behaviour of a novel bisthiourea tripodal ligand: structural, spectroscopic and electrochemical properties of a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4608","4617","10.1039/c2dt11732k","","","0.71073","MoKα","","0.1564","0.0782","","","0.1604","0.1912","","","","","","1.019","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018327","5.787","0.001","15.603","0.002","17.042","0.004","97.285","0.005","96.425","0.006","91.148","0.007","1515.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 O2 S2 -","- C34 H30 N8 O2 S2 -","- C68 H60 N16 O4 S4 -","2","1","","Saad, Fawaz A.; Buurma, Niklaas J.; Amoroso, Angelo J.; Knight, James C.; Kariuki, Benson M.","Co-ordination behaviour of a novel bisthiourea tripodal ligand: structural, spectroscopic and electrochemical properties of a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4608","4617","10.1039/c2dt11732k","","","0.71073","MoKα","","0.1731","0.0916","","","0.1638","0.1978","","","","","","1.012","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018328","14.846","0.003","11.049","0.003","23.882","0.006","90","","97.313","0.009","90","","3885.6","1.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 Mn N8 O12 S2 -","- C34 H30 Cl2 Mn N8 O12 S2 -","- C136 H120 Cl8 Mn4 N32 O48 S8 -","4","1","","Saad, Fawaz A.; Buurma, Niklaas J.; Amoroso, Angelo J.; Knight, James C.; Kariuki, Benson M.","Co-ordination behaviour of a novel bisthiourea tripodal ligand: structural, spectroscopic and electrochemical properties of a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4608","4617","10.1039/c2dt11732k","","","0.71073","MoKα","","0.2603","0.2481","","","0.5043","0.5138","","","","","","1.239","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018329","10.213","0.014","11.269","0.016","11.332","0.016","108.03","0.02","101.77","0.02","109.17","0.02","1101","3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H48 Cl2 N6 Se2 -","- C41 H48 Cl2 N6 Se2 -","- C41 H48 Cl2 N6 Se2 -","1","0.5","","Bucşa, Monica; Pollnitz, Alpár; Varga, Richard A.; Pîrnău, Adrian; Silvestru, Anca; Vlassa, Mircea","The ring-chain tautomeric equilibria of selenium macrocyclic compounds: the isolation of the ring tautomer.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4506","4510","10.1039/c2dt11749e","","","0.71073","MoKα","","0.1416","0.0869","","","0.2001","0.2237","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018330","20.309","0.003","20.309","0.003","33.411","0.006","90","","90","","90","","13781","4","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H96 Mo8 N8 O24 -","- C72 H96 Mo8 N8 O24 -","- C288 H384 Mo32 N32 O96 -","4","0.25","","Gamelas, Carla A.; Gomes, Ana C.; Bruno, Sofia M.; Almeida Paz, Filipe A.; Valente, Anabela A.; Pillinger, Martyn; Romão, Carlos C; Gonçalves, Isabel S","Molybdenum(vi) catalysts obtained from η(3)-allyl dicarbonyl precursors: Synthesis, characterization and catalytic performance in cyclooctene epoxidation.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3474","3484","10.1039/c2dt11751g","","","0.71073","MoKα","","0.0918","0.0574","","","0.1583","0.1745","","","","","","1.112","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018331","25.0773","0.0004","22.125","0.0003","19.9043","0.0003","90","","90","","90","","11043.6","0.3","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C56 H91 Eu O8 -","- C56 H91 Eu O8 -","- C448 H728 Eu8 O64 -","8","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.7107","MoKα","","0.0697","0.0479","","","0.1138","0.1308","","","","","","1.146","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018332","13.1036","0.0002","13.4935","0.0003","25.6718","0.0004","90","","90","","90","","4539.12","0.14","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LaDME","","","- C44 H71 La O7 -","- C44 H71 La O7 -","- C176 H284 La4 O28 -","4","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.7107","MoKα","","0.0352","0.0298","","","0.0571","0.0591","","","","","","1.004","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018333","25.234","0.002","22.3796","0.0015","20.028","0.0017","90","","90","","90","","11310.3","1.5","123","1","123","1","","","","","","","","4","P b c n","-P 2n 2ab","60","SQ","","","- C56 H91 Nd O8 -","- C48 H75 Nd O6 -","- C384 H600 Nd8 O48 -","8","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.0866","0.0568","","","0.164","0.1752","","","","","","1.114","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018334","22.0514","0.0005","18.971","0.0004","23.2542","0.0005","90","","115.202","0.001","90","","8802.1","0.3","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Yb(DIP)3DME2","","","- C44 H71 O7 Yb -","- C44 H71 O7 Yb -","- C352 H568 O56 Yb8 -","8","2","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.1744","0.0692","","","0.1224","0.1683","","","","","","0.948","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018335","10.937","0.0004","35.5722","0.0015","13.3069","0.0006","90","","95.671","0.002","90","","5151.8","0.4","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nd structure","","","- C55 H83 Nd O6 -","- C55 H83 Nd O6 -","- C220 H332 Nd4 O24 -","4","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.0969","0.0542","","","0.0819","0.0933","","","","","","1.037","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018336","14.366","0.003","19.188","0.001","16.638","0.002","90","","90.624","0.007","90","","4586.1","1.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","refine","","","- C44 H71 Dy O7 -","- C44 H71 Dy O7 -","- C176 H284 Dy4 O28 -","4","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.712","Synchrotron","","0.0408","0.0365","","","0.0979","0.1008","","","","","","1.057","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018337","20.135","0.01","14.588","0.007","22.125","0.012","90","","100.403","0.011","90","","6392","6","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EuII","","","- C64 H100 Eu2 O8 -","- C64.002 H100 Eu2 O8 -","- C256.008 H400 Eu8 O32 -","4","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.0903","0.0462","","","0.0903","0.1044","","","","","","0.976","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018338","12.133","0.002","15.232","0.003","25.884","0.005","89.63","0.03","79.38","0.03","69.75","0.03","4402.5","1.7","100","2","100","","","","","","","","","4","P -1","-P 1","2","sq2","","","- C42 H65 La O6 -","- C41.9985 H65 La O6 -","- C167.994 H260 La4 O24 -","4","2","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.712","Synchrotron","","0.0509","0.0493","","","0.1167","0.1173","","","","","","1.144","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018339","9.79","0.002","19.391","0.002","12.139","0.003","90","","110.018","0.011","90","","2165.2","0.7","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","Refine","","","- C44 H67 Nd O5 -","- C44 H67 Nd O5 -","- C88 H134 Nd2 O10 -","2","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.712","Synchrotron","","0.0302","0.0289","","","0.0718","0.0724","","","","","","1.081","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018340","9.7148","0.0016","19.483","0.003","12.344","0.002","90","","110.053","0.011","90","","2194.7","0.6","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","work","","","- C44 H67 O5 Yb -","- C44 H67 O5 Yb -","- C88 H134 O10 Yb2 -","2","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.0261","0.0219","","","0.0491","0.0514","","","","","","0.999","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018341","14.373","0.002","19.227","0.002","16.652","0.002","90","","90.782","0.009","90","","4601.3","1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Refine","","","- C44 H71 O7 Y -","- C44 H71 O7 Y -","- C176 H284 O28 Y4 -","4","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.712","Synchrotron","","0.0637","0.0546","","","0.139","0.1446","","","","","","1.059","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018342","9.6897","0.0014","19.343","0.003","12.182","0.002","90","","109.559","0.009","90","","2151.5","0.6","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","Y(DIP)3(THF)2","","","- C44 H67 O5 Y -","- C44 H67 O5 Y -","- C88 H134 O10 Y2 -","2","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.1867","0.0777","","","0.1643","0.226","","","","","","0.779","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018343","8.4437","0.0007","9.8103","0.0008","13.6182","0.0012","79.672","0.005","87.987","0.005","87.362","0.004","1108.2","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 I2 O4 Yb -","- C16 H32 I2 O4 Yb -","- C32 H64 I4 O8 Yb2 -","2","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.0997","0.0806","","","0.2472","0.2754","","","","","","1.074","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018344","11.4044","0.0015","35.747","0.005","13.3608","0.0018","90","","97.54","0.005","90","","5399.7","1.3","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","SH8 La","","","- C52 H83 La O7 -","- C52 H83 La O7 -","- C208 H332 La4 O28 -","4","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.71073","MoKα","","0.1982","0.1117","","","0.2402","0.2815","","","","","","1.04","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018345","14.415","0.005","14.76","0.005","19.746","0.007","98.206","0.006","100.862","0.006","93.15","0.006","4069","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H75 Cl3 Eu N11 O20 -","- C58 H75 Cl3 Eu N11 O20 -","- C116 H150 Cl6 Eu2 N22 O40 -","2","1","","Wang, Qin; Tang, Kuanzhen; Jin, Xiaojie; Huang, Xiaoguang; Liu, Weisheng; Yao, Xiaojun; Tang, Yu","Lanthanide complexes assembled from two flexible amide-type tripodal ligands: terminal groups effect on photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3431","3438","10.1039/c2dt11761d","","","0.71073","MoKα","","0.1727","0.076","","","0.1643","0.2236","","","","","","0.97","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018346","20.068","0.013","16.726","0.01","14.226","0.009","90","","104.205","0.007","90","","4629","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Eu N7 O12 -","- C39 H36 Eu N7 O12 -","- C156 H144 Eu4 N28 O48 -","4","1","","Wang, Qin; Tang, Kuanzhen; Jin, Xiaojie; Huang, Xiaoguang; Liu, Weisheng; Yao, Xiaojun; Tang, Yu","Lanthanide complexes assembled from two flexible amide-type tripodal ligands: terminal groups effect on photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3431","3438","10.1039/c2dt11761d","","","0.71073","MoKα","","0.0543","0.0352","","","0.0889","0.0952","","","","","","1.003","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018347","20.146","0.004","16.719","0.004","14.24","0.003","90","","104.397","0.002","90","","4645.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N7 O12 Tb -","- C39 H36 N7 O12 Tb -","- C156 H144 N28 O48 Tb4 -","4","1","","Wang, Qin; Tang, Kuanzhen; Jin, Xiaojie; Huang, Xiaoguang; Liu, Weisheng; Yao, Xiaojun; Tang, Yu","Lanthanide complexes assembled from two flexible amide-type tripodal ligands: terminal groups effect on photoluminescence behavior.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3431","3438","10.1039/c2dt11761d","","","0.71073","MoKα","","0.0573","0.0348","","","0.0811","0.087","","","","","","1.03","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018348","18.408","0.0025","9.2193","0.0013","12.2629","0.0017","90","","94.1776","0.0018","90","","2075.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1a","","","- C18 H22 Ce N3 O8 -","- C18 H22 Ce N3 O8 -","- C72 H88 Ce4 N12 O32 -","4","0.5","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0187","0.0181","","","0.0442","0.0445","","","","","","1.067","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018349","11.1998","0.0011","11.7328","0.0012","12.3746","0.0013","62.722","0.0012","84.0719","0.0013","64.4427","0.0011","1294.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1b","","","- C20 H27 Ce N4 O9 -","- C20 H27 Ce N4 O9 -","- C40 H54 Ce2 N8 O18 -","2","1","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0261","0.0243","","","0.0562","0.0571","","","","","","1.052","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018350","8.9692","0.0007","8.6871","0.0007","30.244","0.002","90","","98.485","0.001","90","","2330.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2","","","- C18 H26 Eu N3 O10 -","- C18 H26 Eu N3 O10 -","- C72 H104 Eu4 N12 O40 -","4","1","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0359","0.0296","","","0.0617","0.0646","","","","","","1.056","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018351","8.868","0.002","8.633","0.002","30.12","0.007","90","","98.002","0.004","90","","2283.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3","","","- C18 H26 N3 O10 Yb -","- C18 H26 N3 O10 Yb -","- C72 H104 N12 O40 Yb4 -","4","1","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0612","0.0429","","","0.0844","0.0923","","","","","","1.049","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018352","6.3395","0.0014","15.475","0.003","16.273","0.003","74.775","0.003","83.984","0.004","90.269","0.004","1531.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","4a","","","- C24 H26 Ag Ce N4 O9 -","- C24 H26 Ag Ce N4 O9 -","- C48 H52 Ag2 Ce2 N8 O18 -","2","1","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0735","0.0533","","","0.0962","0.1034","","","","","","0.955","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018353","6.2589","0.0007","15.4445","0.0016","16.1802","0.0017","75.221","0.0014","83.8603","0.0016","89.9936","0.0016","1503","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","5a","","","- C24 H26 Ag Eu N4 O9 -","- C24 H26 Ag Eu N4 O9 -","- C48 H52 Ag2 Eu2 N8 O18 -","2","1","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0413","0.0387","","","0.1033","0.1045","","","","","","1.049","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018354","7.7092","0.0008","9.1132","0.001","12.2839","0.0013","90","","90","","90","","863.01","0.16","100","2","100","2","","","","","","","","6","P 2 2 2","P 2 2","16","5b","","","- C24 H26 Ag Eu N4 O9 -","- C24 H26 Ag Eu N4 O9 -","- C24 H26 Ag Eu N4 O9 -","1","0.25","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0338","0.0334","","","0.098","0.0983","","","","","","1.194","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018355","7.6835","0.0002","8.6805","0.0002","12.354","0.0003","90","","90","","90","","823.97","0.03","100","2","100","2","","","","","","","","6","P 2 2 2","P 2 2","16","6b","","","- C26 H29 Ag N5 O9 Yb -","- C26 H29 Ag N5 O9 Yb -","- C26 H29 Ag N5 O9 Yb -","1","0.25","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","1.54178","CuKα","","0.0326","0.0322","","","0.0848","0.0855","","","","","","1.212","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018356","17.1271","0.001","24.7427","0.0014","30.1824","0.0017","90","","90","","90","","12790.4","1.3","100","2","100","2","","","","","","","","6","F 2 2 2","F 2 2","22","6c","","","- C96 H98 Ag4 N16 O33 Yb4 -","- C96 H98 Ag4 N16 O33 Yb4 -","- C384 H392 Ag16 N64 O132 Yb16 -","4","0.25","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0536","0.0437","","","0.1078","0.1118","","","","","","1.024","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018357","7.8902","0.0003","21.1723","0.0009","16.0292","0.0007","90","","90.1973","0.0006","90","","2677.72","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5d","","","- C24 H24 Ag Eu N4 O8 -","- C24 H24 Ag Eu N4 O8 -","- C96 H96 Ag4 Eu4 N16 O32 -","4","1","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0308","0.0261","","","0.0561","0.0587","","","","","","1.021","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018358","7.8841","0.0005","21.0206","0.0013","15.8536","0.001","90","","89.7194","0.0008","90","","2627.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6d","","","- C24 H24 Ag N4 O8 Yb -","- C24 H24 Ag N4 O8 Yb -","- C96 H96 Ag4 N16 O32 Yb4 -","4","1","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0248","0.0223","","","0.0519","0.0534","","","","","","1.062","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018359","38.2056","0.0015","14.5054","0.0006","22.9812","0.0009","90","","93.982","0.001","90","","12705.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.96 H88 N4 Ni16.96 O25.3 -","- C63.9573 H88 N4 Ni16.9573 O25.2907 -","- C383.744 H528 N24 Ni101.744 O151.744 -","6","1.5","","Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Fedi, Serena; Fabrizi de Biani, Fabrizia","Nickel poly-acetylide carbonyl clusters: structural features, bonding and electrochemical behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4649","4663","10.1039/c2dt11806h","","","0.71073","MoKα","","0.1564","0.0791","","","0.2182","0.2728","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018360","17.2678","0.0008","14.1381","0.0006","22.0522","0.001","90","","91.489","0.001","90","","5381.9","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C81 H98 N4 Ni25 O35 -","- C81 H98 N4 Ni25 O35 -","- C162 H196 N8 Ni50 O70 -","2","0.5","","Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Fedi, Serena; Fabrizi de Biani, Fabrizia","Nickel poly-acetylide carbonyl clusters: structural features, bonding and electrochemical behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4649","4663","10.1039/c2dt11806h","","","0.71073","MoKα","","0.0893","0.0417","","","0.0873","0.1089","","","","","","1","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018361","15.9735","0.0018","20.278","0.002","22.581","0.003","90.761","0.002","90.881","0.002","92.375","0.002","7306.4","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.1 H80 N4 Ni16.12 O23.1 -","- C59.0979 H80 N4 Ni16.1229 O23.0979 -","- C236.392 H320 N16 Ni64.4916 O92.3916 -","4","2","","Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Fedi, Serena; Fabrizi de Biani, Fabrizia","Nickel poly-acetylide carbonyl clusters: structural features, bonding and electrochemical behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4649","4663","10.1039/c2dt11806h","","","0.71073","MoKα","","0.0762","0.0482","","","0.1229","0.1405","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018362","10.3765","0.0012","24.333","0.003","13.5813","0.0015","90","","104.936","0.005","90","","3313.3","0.7","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","KO0802 Ni-benzoquinoline imine I","","- C35 H30 Cl2 I2 N4 Ni -","- C35 H30 Cl2 I2 N4 Ni -","- C140 H120 Cl8 I8 N16 Ni4 -","4","2","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.038","0.0313","","","0.0704","0.0735","","","","","","1.069","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018363","14.9311","0.0017","8.6427","0.0009","25.05","0.003","90","","103.466","0.008","90","","3143.7","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","DP-2-74-1 quinoline cyclohexane imine Ni2 I4","","- C32 H36 I2 N4 Ni -","- C32 H36 I2 N4 Ni -","- C128 H144 I8 N16 Ni4 -","4","2","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.1301","0.1131","","","0.2956","0.3052","","","","","","1.084","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018364","43.3113","0.0017","43.3113","0.0017","10.111","0.0008","90","","90","","120","","16425.8","1.6","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","DP-2-96-1 cyclohexyl Ni quinoline imine Ni(OTf)","","- C64 H72 I3.2 N8 Ni2 O0.8 -","- C64 H72 I3.2 N8 Ni2 O0.8 -","- C576 H648 I28.8 N72 Ni18 O7.2 -","9","1","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.1615","0.0883","","","0.2337","0.2763","","","","","","0.941","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018365","13.8504","0.0014","14.2408","0.0015","23.225","0.002","90","","90","","90","","4580.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-bis(benzoquinoline imine) cyclohexane Ni I2, dichloromethane","","- C36.65 H33.3 Cl7.15 I2.15 N4 Ni2 -","- C36.65 H33.3 Cl7.145 I2.155 N4 Ni2 -","- C146.6 H133.2 Cl28.58 I8.62 N16 Ni8 -","4","1","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.1935","0.0784","","","0.1883","0.2287","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018366","12.3347","0.0012","12.8896","0.0013","17.0469","0.0017","86.508","0.001","73.82","0.001","62.964","0.001","2311.6","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","DP-3-1-1 [1-(benzoquinoline imine)-2-amino-cyclohexane]2 Ni (OTf)2 (MeOH)","","- C44 H44 F6 N6 Ni O7 S2 -","- C44.002 H44.006 F6 N6 Ni O7.001 S2 -","- C88.004 H88.012 F12 N12 Ni2 O14.002 S4 -","2","2","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.0948","0.0895","","","0.253","0.2594","","","","","","1.501","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018367","11.6896","0.0008","22.8266","0.0016","11.9341","0.0009","90","","118.924","0.001","90","","2787.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","DP-2-70-2 3,3'-bis(naphthoquinoline imine) binaphthyl Ni2 I4","","- C51 H33 Cl9 I4 N4 Ni2 -","- C51 H33 Cl9 I4 N4 Ni2 -","- C102 H66 Cl18 I8 N8 Ni4 -","2","1","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.0284","0.0268","","","0.0606","0.0613","","","","","","1.009","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018368","12.1481","0.0014","22.485","0.003","19.246","0.002","90","","90","","90","","5257","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","DP-2-68-1","","- C47.6 H41.2 Cl3.2 I4 N4 Ni2 O -","- C47.6 H41.2 Cl3.2 I4 N4 Ni2 O -","- C190.4 H164.8 Cl12.8 I16 N16 Ni8 O4 -","4","1","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.0742","0.0587","","","0.144","0.1521","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018369","7.687","0.005","13.508","0.005","16.022","0.005","74.365","0.005","79.218","0.005","84.054","0.005","1571.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Cd2 N12 O28.4 -","- C48 H44 Cd2 N12 O28.4 -","- C48 H44 Cd2 N12 O28.4 -","1","0.5","","Li, Guo-Bi; He, Jian-Rong; Pan, Mei; Deng, Hai-Ying; Liu, Jun-Min; Su, Cheng-Yong","Construction of 0D to 3D cadmium complexes from different pyridyl diimide ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4626","4633","10.1039/c2dt11815g","","","0.71073","MoKα","","0.1345","0.0959","","","0.2598","0.2843","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018370","11.6915","0.0004","14.5628","0.0007","17.3643","0.0008","104.113","0.004","104.147","0.004","95.717","0.004","2740.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H72 Cd3 Cl12 N22 O38 -","- C94 H72 Cd3 Cl12 N22 O38 -","- C94 H72 Cd3 Cl12 N22 O38 -","1","0.5","","Li, Guo-Bi; He, Jian-Rong; Pan, Mei; Deng, Hai-Ying; Liu, Jun-Min; Su, Cheng-Yong","Construction of 0D to 3D cadmium complexes from different pyridyl diimide ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4626","4633","10.1039/c2dt11815g","","","1.54178","CuKα","","0.0937","0.0829","","","0.2361","0.2561","","","","","","1.092","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018371","17.2841","0.0005","17.2841","0.0005","20.9702","0.0017","90","","90","","90","","6264.6","0.6","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C216 H136 Cd4 Cl24 N40 O56 -","- C216 H132 Cd4 Cl24 N40 O56 -","- C216 H132 Cd4 Cl24 N40 O56 -","1","0.25","","Li, Guo-Bi; He, Jian-Rong; Pan, Mei; Deng, Hai-Ying; Liu, Jun-Min; Su, Cheng-Yong","Construction of 0D to 3D cadmium complexes from different pyridyl diimide ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4626","4633","10.1039/c2dt11815g","","","0.71073","MoKα","","0.1953","0.0984","","","0.2102","0.2464","","","","","","1.006","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018372","9.2574","0.0001","9.8854","0.0001","10.357","0.0001","76.426","0.001","68.637","0.001","76.043","0.001","845.238","0.016","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N14 O7 Zn4 -","- C25 H20 N14 O7 Zn4 -","- C25 H20 N14 O7 Zn4 -","1","0.5","","Konidaris, Konstantis F.; Bekiari, Vlasoula; Katsoulakou, Eugenia; Raptopoulou, Catherine P.; Psycharis, Vassilis; Manessi-Zoupa, Evy; Kostakis, George E.; Perlepes, Spyros P.","Investigation of the zinc(ii)-benzoate-2-pyridinealdoxime reaction system.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3797","3806","10.1039/c2dt11853j","","","1.54178","CuKα","","0.047","0.0432","","","0.1241","0.1278","","","","","","1.055","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018373","15.344","0.003","22.768","0.005","36.352","0.007","79.55","0.03","87.57","0.03","76.21","0.03","12129","5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C174 H178 Cl9 Eu3 N36 O47 -","- C174 H144 Cl9 Eu3 N36 O47 -","- C348 H288 Cl18 Eu6 N72 O94 -","2","1","","Klein, Jörg M; Clegg, Jack K.; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Metal induced folding: synthesis and conformational analysis of the lanthanide complexes of two 44-membered hydrazone macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3780","3786","10.1039/c2dt11861k","","","0.71073","MoKα","","0.1766","0.0951","","","0.2745","0.3112","","","","","","1.005","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018374","9.8757","0.0003","11.6449","0.0003","18.5109","0.0005","100.069","0.002","98.845","0.002","114.516","0.002","1845.18","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 F10 N2 Pt -","- C41 H44 F10 N2 Pt -","- C82 H88 F20 N4 Pt2 -","2","1","","Forniés, Juan; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Tsipis, Athanassios C.","Benzoquinolateplatinum(ii) complexes as building blocks in the synthesis of Pt-Ag extended structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3439","3451","10.1039/c2dt11885h","","","0.71073","MoKα","","0.0312","0.0262","","","0.0675","0.0688","","","","","","1.076","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018375","25.8768","0.0003","25.8768","0.0003","18.5465","0.0002","90","","90","","90","","12418.9","0.2","123","2","123","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C25 H8 Ag F10 N Pt -","- C25 H8 Ag F10 N Pt -","- C400 H128 Ag16 F160 N16 Pt16 -","16","1","","Forniés, Juan; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Tsipis, Athanassios C.","Benzoquinolateplatinum(ii) complexes as building blocks in the synthesis of Pt-Ag extended structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3439","3451","10.1039/c2dt11885h","","","0.71073","MoKα","","0.0871","0.0556","","","0.1481","0.1546","","","","","","1.006","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018376","11.0608","0.0002","12.3316","0.0002","17.3806","0.0003","88.838","0.001","75.595","0.001","89.594","0.001","2295.66","0.07","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H29 Ag Cl6 F10 N P Pt -","- C46 H29 Ag Cl6 F10 N P Pt -","- C92 H58 Ag2 Cl12 F20 N2 P2 Pt2 -","2","1","","Forniés, Juan; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Tsipis, Athanassios C.","Benzoquinolateplatinum(ii) complexes as building blocks in the synthesis of Pt-Ag extended structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3439","3451","10.1039/c2dt11885h","","","0.71073","MoKα","","0.0265","0.0245","","","0.0706","0.0713","","","","","","1.039","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018377","11.0879","0.0014","12.7152","0.0017","13.3809","0.0018","80.369","0.002","76.834","0.002","68.048","0.002","1696.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H28 Ag F10 N O2 Pt S -","- C35 H28 Ag F10 N O2 Pt S -","- C70 H56 Ag2 F20 N2 O4 Pt2 S2 -","2","1","","Forniés, Juan; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Tsipis, Athanassios C.","Benzoquinolateplatinum(ii) complexes as building blocks in the synthesis of Pt-Ag extended structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3439","3451","10.1039/c2dt11885h","","","0.71073","MoKα","","0.0225","0.0215","","","0.0535","0.054","","","","","","1.041","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018378","9.4647","0.0002","10.2895","0.0003","10.5812","0.0002","106.468","0.002","96.835","0.002","92.411","0.002","978.06","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H13 F5 N2 Pt -","- C24 H13 F5 N2 Pt -","- C48 H26 F10 N4 Pt2 -","2","1","","Forniés, Juan; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Tsipis, Athanassios C.","Benzoquinolateplatinum(ii) complexes as building blocks in the synthesis of Pt-Ag extended structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3439","3451","10.1039/c2dt11885h","","","0.71073","MoKα","","0.0159","0.0145","","","0.0344","0.0346","","","","","","1.049","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018379","24.36","0.04","23.37","0.07","16.13","0.03","90","","105.104","0.015","90","","8865","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Co N4 O6 -","- C32 H22 Co N4 O6 -","- C256 H176 Co8 N32 O48 -","8","1","","Han, Li-Wei; Gong, Yun; Lin, Zu-Jin; Lü, Jian; Cao, Rong","Entangled coordination polymers with mixed N- and O-donor organic linkers: A case of module-matching priority.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4146","4152","10.1039/c2dt11899h","","","0.71073","MoKα","","0.1018","0.0887","","","0.2682","0.2848","","","","","","1.043","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018380","22.162","0.002","20.532","0.002","16.1364","0.0015","90","","95.937","0.002","90","","7303.2","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Co N6 O8 -","- C34.5 H30.5 Co N5.5 O7.5 -","- C276 H244 Co8 N44 O60 -","8","1","","Han, Li-Wei; Gong, Yun; Lin, Zu-Jin; Lü, Jian; Cao, Rong","Entangled coordination polymers with mixed N- and O-donor organic linkers: A case of module-matching priority.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4146","4152","10.1039/c2dt11899h","","","0.71073","MoKα","","0.1412","0.0808","","","0.2389","0.2795","","","","","","0.993","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018381","7.601","0.002","29.239","0.008","14.315","0.004","90","","96.331","0.005","90","","3162","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co N6 O8 -","- C32 H32 Co N6 O8 -","- C128 H128 Co4 N24 O32 -","4","0.5","","Han, Li-Wei; Gong, Yun; Lin, Zu-Jin; Lü, Jian; Cao, Rong","Entangled coordination polymers with mixed N- and O-donor organic linkers: A case of module-matching priority.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4146","4152","10.1039/c2dt11899h","","","0.71073","MoKα","","0.0791","0.0633","","","0.1603","0.182","","","","","","1.111","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018382","10.5853","0.0005","12.8836","0.0005","14.6733","0.0006","108.865","0.004","107.898","0.004","99.825","0.004","1719.05","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Co N6 O8 -","- C36 H34 Co N6 O8 -","- C72 H68 Co2 N12 O16 -","2","1","","Han, Li-Wei; Gong, Yun; Lin, Zu-Jin; Lü, Jian; Cao, Rong","Entangled coordination polymers with mixed N- and O-donor organic linkers: A case of module-matching priority.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4146","4152","10.1039/c2dt11899h","","","0.71073","MoKα","","0.0798","0.0484","","","0.1204","0.1257","","","","","","1.025","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018383","29.3161","0.0003","30.8263","0.0004","14.8707","0.0002","90","","90","","90","","13438.8","0.3","123","1","123","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","[Dy8(OH)6(OMe)6(cmnm)10(ccnm)2(H2O)2(MeOH)2].2H2O.6MeOH","[Bis(aqua)bis(carbamoylcyanonitrosomethanido)decakis(cyano(imino (methoxy)methyl)nitrosomethanido)bis(methanol)bis(methoxy)bis (hydroxy)octadysprosium(III)].Hexamethanol.Dihydrate","","- C60 H108 Dy8 N36 O48 -","- C60 H90 Dy8 N36 O48 -","- C240 H360 Dy32 N144 O192 -","4","0.5","","Chesman, Anthony S. R.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.","In situ ligand formation in the synthesis of an octanuclear dysprosium 'double cubane' cluster displaying single molecule magnet features.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3751","3757","10.1039/c2dt11905f","","","0.71073","MoKα","","0.0813","0.0529","","","0.1353","0.145","","","","","","1.06","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018384","14.3647","0.0012","15.4763","0.0011","26.538","0.002","90","","103.818","0.005","90","","5729","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[7-Methyl-2,4,9-tris-(6-methylpyridin-2-yl)-1,3,5-triaza-tricyclo- [3.3.1.1^3,7^]decane] dichloroiron(II) hydrate","","- C26 H32 Cl2 Fe N6 O -","- C26 H31 Cl2 Fe N6 O -","- C208 H248 Cl16 Fe8 N48 O8 -","8","2","","Diener, Sara A.; Santoro, Amedeo; Kilner, Colin A.; Loughrey, Jonathan J.; Halcrow, Malcolm A.","Iron(ii) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3731","3739","10.1039/c2dt11911k","","","0.71073","MoKα","","0.0712","0.0378","","","0.0881","0.1029","","","","","","1.035","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018385","13.3839","0.001","8.7025","0.0007","23.2274","0.0016","90","","92.921","0.003","90","","2701.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[7-Methyl-2,4,9-tris-(6-bromopyridin-2-yl)-1,3,5-triaza-tricyclo- [3.3.1.1^3,7^]decanonium] tetrafluoroborate","","- C23 H22 B Br3 F4 N6 -","- C23 H22 B Br3 F4 N6 -","- C92 H88 B4 Br12 F16 N24 -","4","1","","Diener, Sara A.; Santoro, Amedeo; Kilner, Colin A.; Loughrey, Jonathan J.; Halcrow, Malcolm A.","Iron(ii) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3731","3739","10.1039/c2dt11911k","","","0.71073","MoKα","","0.0611","0.0366","","","0.08","0.0885","","","","","","1.013","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018386","10.1387","0.0013","12.1897","0.0013","21.549","0.003","76.037","0.005","87.449","0.007","75.601","0.004","2503","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[1,1,1-Tris(1H-imidazol-2-ylmethyleneaminomethyl)ethane]iron(II) diperchlorate hydrate (1/0.7)","","- C17 H22.4 Cl2 Fe N9 O8.7 -","- C17 H21.7 Cl2 Fe N9 O8.7 -","- C68 H86.8 Cl8 Fe4 N36 O34.8 -","4","2","","Diener, Sara A.; Santoro, Amedeo; Kilner, Colin A.; Loughrey, Jonathan J.; Halcrow, Malcolm A.","Iron(ii) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3731","3739","10.1039/c2dt11911k","","","0.71073","MoKα","","0.0517","0.0403","","","0.0992","0.1067","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018387","9.6735","0.0016","15.7","0.002","9.9511","0.0016","90","","118.18","0.007","90","","1332.2","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[1,1,1-Tris(1-methyl-1H-imidazol-2-ylmethyleneaminomethyl)ethane]iron(II) ditetrafluoroborate","","- C20 H27 B2 F8 Fe N9 -","- C20 H27 B2 F8 Fe N9 -","- C40 H54 B4 F16 Fe2 N18 -","2","1","","Diener, Sara A.; Santoro, Amedeo; Kilner, Colin A.; Loughrey, Jonathan J.; Halcrow, Malcolm A.","Iron(ii) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3731","3739","10.1039/c2dt11911k","","","0.71073","MoKα","","0.0476","0.0339","","","0.0644","0.0686","","","","","","1.001","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018388","10.6707","0.0014","18.468","0.002","12.649","0.0016","90","","94.781","0.006","90","","2484","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,1,1-Tris(1H-pyrazol-3-ylmethyleneaminomethyl)ethane]iron(II) diperchlorate","","- C17 H21 Cl2 Fe N9 O8 -","- C17 H21 Cl2 Fe N9 O8 -","- C68 H84 Cl8 Fe4 N36 O32 -","4","1","","Diener, Sara A.; Santoro, Amedeo; Kilner, Colin A.; Loughrey, Jonathan J.; Halcrow, Malcolm A.","Iron(ii) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3731","3739","10.1039/c2dt11911k","","","0.71073","MoKα","","0.0289","0.0265","","","0.07","0.0722","","","","","","1.047","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018389","12.469","0.003","13.905","0.003","18.135","0.004","88.61","0.03","70.12","0.03","73.73","0.03","2829.7","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cu4 Mo8 N18 O26 -","- C36 H36 Cu4 Mo8 N18 O26 -","- C72 H72 Cu8 Mo16 N36 O52 -","2","1","","Fu, Hai; Lu, Ying; Wang, Zhenli; Liang, Chang; Zhang, Zhi-Ming; Wang, Enbo","Three hybrid networks based on octamolybdate: Ionothermal synthesis, structure and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4084","4090","10.1039/c2dt11912a","","","0.71073","MoKα","","0.1079","0.0635","","","0.1604","0.1937","","","","","","1.058","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018390","10.357","0.002","12.884","0.003","15.307","0.003","112.97","0.03","98.94","0.03","101.66","0.03","1778.5","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 Cu5 Mo7 N24 O32 -","- C48 H48 Cu5 Mo7 N24 O32 -","- C48 H48 Cu5 Mo7 N24 O32 -","1","0.5","","Fu, Hai; Lu, Ying; Wang, Zhenli; Liang, Chang; Zhang, Zhi-Ming; Wang, Enbo","Three hybrid networks based on octamolybdate: Ionothermal synthesis, structure and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4084","4090","10.1039/c2dt11912a","","","0.71073","MoKα","","0.0921","0.0771","","","0.1786","0.1868","","","","","","1.083","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018391","12.583","0.003","13.642","0.003","14.263","0.003","105.78","0.03","114.65","0.03","101.16","0.03","2005.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cu3 Mo8 N30 O26 -","- C60 H60 Cu3 Mo8 N30 O26 -","- C60 H60 Cu3 Mo8 N30 O26 -","1","0.5","","Fu, Hai; Lu, Ying; Wang, Zhenli; Liang, Chang; Zhang, Zhi-Ming; Wang, Enbo","Three hybrid networks based on octamolybdate: Ionothermal synthesis, structure and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4084","4090","10.1039/c2dt11912a","","","0.71073","MoKα","","0.1317","0.0708","","","0.1442","0.1801","","","","","","1.059","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018392","13.7088","0.0007","17.8387","0.0009","20.762","0.0008","90","","119.129","0.002","90","","4435.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 Cu Fe N2 O P2 -","- C54 H45 Cu Fe N2 O P2 -","- C216 H180 Cu4 Fe4 N8 O4 P8 -","4","1","","Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Copper(i) and nickel(ii) complexes with 1 : 1 vs. 1 : 2 coordination of ferrocenyl hydrazone ligands: Do the geometry and composition of complexes affect DNA binding/cleavage, protein binding, antioxidant and cytotoxic activities?","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4423","4436","10.1039/c2dt11938b","","","0.71075","MoKα","","0.0447","0.0409","","","0.1065","0.1091","","","","","","1.056","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018393","16.2656","0.0008","12.9068","0.0006","16.8967","0.0008","90","","107.378","0.003","90","","3385.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Cl3 Fe2 N4 Ni O2 -","- C37 H31 Cl3 Fe2 N4 Ni O2 -","- C148 H124 Cl12 Fe8 N16 Ni4 O8 -","4","1","","Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Copper(i) and nickel(ii) complexes with 1 : 1 vs. 1 : 2 coordination of ferrocenyl hydrazone ligands: Do the geometry and composition of complexes affect DNA binding/cleavage, protein binding, antioxidant and cytotoxic activities?","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4423","4436","10.1039/c2dt11938b","","","1.54178","CuKα","","0.0448","0.0386","","","0.0875","0.0905","","","","","","1.071","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018394","6.0632","0.0004","10.4377","0.0007","13.2394","0.0009","75.771","0.006","83.375","0.005","82.184","0.005","801.68","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl Fe N O2 -","- C20 H14 Cl Fe N O2 -","- C40 H28 Cl2 Fe2 N2 O4 -","2","1","","Mathur, Pradeep; Joshi, Raj Kumar; Rai, Dhirendra Kumar; Jha, Badrinath; Mobin, Shaikh M.","One pot synthesis of maleimide and hydantoin by Fe(CO)(5) catalyzed [2 + 2 + 1] co-cyclization of acetylene, isocyanate and CO.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5045","5054","10.1039/c2dt11942k","","","0.71073","MoKα","","0.0615","0.0384","","","0.0709","0.0744","","","","","","0.873","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018395","25.812","0.014","8.801","0.005","21.62","0.01","90","","109.16","0.06","90","","4639","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cl2 Fe N2 O2 -","- C26 H18 Cl2 Fe N2 O2 -","- C208 H144 Cl16 Fe8 N16 O16 -","8","1","","Mathur, Pradeep; Joshi, Raj Kumar; Rai, Dhirendra Kumar; Jha, Badrinath; Mobin, Shaikh M.","One pot synthesis of maleimide and hydantoin by Fe(CO)(5) catalyzed [2 + 2 + 1] co-cyclization of acetylene, isocyanate and CO.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5045","5054","10.1039/c2dt11942k","","","0.71073","MoKα","","0.1566","0.0362","","","0.041","0.0505","","","","","","0.629","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018396","10.7811","0.0018","12.91","0.003","18.481","0.003","73.53","0.015","73.835","0.014","81.142","0.016","2361.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Fe N2 O2 -","- C26 H32 Fe N2 O2 -","- C104 H128 Fe4 N8 O8 -","4","2","","Mathur, Pradeep; Joshi, Raj Kumar; Rai, Dhirendra Kumar; Jha, Badrinath; Mobin, Shaikh M.","One pot synthesis of maleimide and hydantoin by Fe(CO)(5) catalyzed [2 + 2 + 1] co-cyclization of acetylene, isocyanate and CO.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5045","5054","10.1039/c2dt11942k","","","0.71073","MoKα","","0.0754","0.038","","","0.0776","0.0839","","","","","","0.844","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018397","12.2609","0.0019","10.4747","0.001","12.904","0.003","90","","112.35","0.02","90","","1532.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl Fe N O -","- C19 H14 Cl Fe N O -","- C76 H56 Cl4 Fe4 N4 O4 -","4","1","","Mathur, Pradeep; Joshi, Raj Kumar; Rai, Dhirendra Kumar; Jha, Badrinath; Mobin, Shaikh M.","One pot synthesis of maleimide and hydantoin by Fe(CO)(5) catalyzed [2 + 2 + 1] co-cyclization of acetylene, isocyanate and CO.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5045","5054","10.1039/c2dt11942k","","","0.71073","MoKα","","0.0504","0.0366","","","0.0877","0.091","","","","","","0.938","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018398","6.0511","0.001","10.2131","0.0018","17.919","0.003","90","","94.693","0.014","90","","1103.7","0.3","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H18 Cl2 Fe N2 O2 -","- C26 H18 Cl2 Fe N2 O2 -","- C52 H36 Cl4 Fe2 N4 O4 -","2","1","","Mathur, Pradeep; Joshi, Raj Kumar; Rai, Dhirendra Kumar; Jha, Badrinath; Mobin, Shaikh M.","One pot synthesis of maleimide and hydantoin by Fe(CO)(5) catalyzed [2 + 2 + 1] co-cyclization of acetylene, isocyanate and CO.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5045","5054","10.1039/c2dt11942k","","","0.71073","MoKα","","0.0675","0.0577","","","0.1388","0.1421","","","","","","1.003","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018399","9.6018","0.0002","23.6046","0.0004","24.3824","0.0004","90","","90","","90","","5526.19","0.17","233","2","233","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C59 H60 Cl2 Ni O4 P4 -","- C59 H60 Cl2 Ni O4 P4 -","- C236 H240 Cl8 Ni4 O16 P16 -","4","0.5","","Reitsamer, Christian; Stallinger, Silvia; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Obendorf, Dagmar; Peringer, Paul","Novel access to carbodiphosphoranes in the coordination sphere of group 10 metals: template synthesis and protonation of PCP pincer carbodiphosphorane complexes of C(dppm)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3503","3514","10.1039/c2dt11949h","","","0.71073","MoKα","","0.0398","0.0316","","","0.0699","0.0727","","","","","","1.06","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018400","17.4335","0.0002","17.4335","0.0002","31.0829","0.0004","90","","90","","120","","8181.28","0.17","233","2","233","2","","","","","","","","5","P 31","P 31","144","","","","- C103 H90 Cl8 Ni3 P8 -","- C103 H88 Cl8 Ni3 P8 -","- C309 H264 Cl24 Ni9 P24 -","3","1","","Reitsamer, Christian; Stallinger, Silvia; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Obendorf, Dagmar; Peringer, Paul","Novel access to carbodiphosphoranes in the coordination sphere of group 10 metals: template synthesis and protonation of PCP pincer carbodiphosphorane complexes of C(dppm)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3503","3514","10.1039/c2dt11949h","","","0.71073","MoKα","","0.0709","0.063","","","0.1703","0.1792","","","","","","1.072","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018401","9.7629","0.0002","23.2214","0.0003","24.4318","0.0004","96.059","0.001","94.714","0.001","92.421","0.001","5482.07","0.16","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C57.75 H58.5 Cl2 O2.75 P4 Pt -","- C57.75 H44 Cl2 O2.75 P4 Pt -","- C231 H176 Cl8 O11 P16 Pt4 -","4","2","","Reitsamer, Christian; Stallinger, Silvia; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Obendorf, Dagmar; Peringer, Paul","Novel access to carbodiphosphoranes in the coordination sphere of group 10 metals: template synthesis and protonation of PCP pincer carbodiphosphorane complexes of C(dppm)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3503","3514","10.1039/c2dt11949h","","","0.71073","MoKα","","0.0577","0.0405","","","0.0963","0.1034","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018402","16.919","0.0004","27.1997","0.0006","18.7995","0.0002","90","","92.034","0.002","90","","8645.9","0.3","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H45 Cl P4 -","- C51 H45 Cl P4 -","- C408 H360 Cl8 P32 -","8","2","","Reitsamer, Christian; Stallinger, Silvia; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Obendorf, Dagmar; Peringer, Paul","Novel access to carbodiphosphoranes in the coordination sphere of group 10 metals: template synthesis and protonation of PCP pincer carbodiphosphorane complexes of C(dppm)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3503","3514","10.1039/c2dt11949h","","","0.71073","MoKα","","0.0852","0.0477","","","0.0981","0.1082","","","","","","1.034","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018403","9.4233","0.0002","15.0455","0.0003","19.0383","0.0004","90.021","0.002","90.644","0.002","96.536","0.002","2681.5","0.1","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H47 Cl9 P4 Pt -","- C53 H47 Cl9 P4 Pt -","- C106 H94 Cl18 P8 Pt2 -","2","1","","Reitsamer, Christian; Stallinger, Silvia; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Obendorf, Dagmar; Peringer, Paul","Novel access to carbodiphosphoranes in the coordination sphere of group 10 metals: template synthesis and protonation of PCP pincer carbodiphosphorane complexes of C(dppm)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3503","3514","10.1039/c2dt11949h","","","0.71073","MoKα","","0.0484","0.0367","","","0.0678","0.0711","","","","","","1.039","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018404","12.0455","0.0015","9.0733","0.0011","21.256","0.003","90","","96.742","0.002","90","","2307.1","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 B2 O3 P2 -","- C44 H60 B2 O3 P2 -","- C88 H120 B4 O6 P4 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.1489","0.0862","","","0.2073","0.2275","","","","","","0.891","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018405","9.1131","0.0006","17.7459","0.0011","15.5104","0.001","90","","102.556","0.001","90","","2448.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 B2 O3 P2 -","- C44 H60 B2 O3 P2 -","- C88 H120 B4 O6 P4 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.042","0.0352","","","0.0745","0.0765","","","","","","0.933","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018406","9.0916","0.0015","26.778","0.005","10.3509","0.0017","90","","106.329","0.002","90","","2418.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H28 B2 O P2 -","- C26 H28 B2 O P2 -","- C104 H112 B8 O4 P8 -","4","2","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.0688","0.0617","","","0.1373","0.1403","","","","","","1.191","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018407","10.682","0.003","12.265","0.004","18.315","0.006","102.736","0.004","93.563","0.004","103.759","0.004","2256.6","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H59 N2 O P2 -","- C53 H59 N2 O P2 -","- C106 H118 N4 O2 P4 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.0721","0.0401","","","0.0877","0.0967","","","","","","0.928","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018408","25.9495","0.0019","15.9645","0.0012","39.031","0.003","90","","103.747","0.001","90","","15706","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H69 B F24 N2 O P2 -","- C82 H69 B F24 N2 O P2 -","- C656 H552 B8 F192 N16 O8 P16 -","8","2","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.1084","0.0563","","","0.1484","0.1685","","","","","","0.972","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018409","17.8759","0.0016","19.0247","0.0017","39.597","0.004","90","","99.001","0.001","90","","13300","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H57 B F20 N2 O P2 -","- C74 H57 B F20 N2 O P2 -","- C592 H456 B8 F160 N16 O8 P16 -","8","2","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.2007","0.0611","","","0.1436","0.1839","","","","","","0.839","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018410","23.695","0.003","16.3001","0.0017","23.842","0.003","90","","114.818","0.001","90","","8358.1","1.7","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C85 H75 B Cl2 F24 N2 O P2 Zn -","- C85 H75 B Cl2 F24 N2 O P2 Zn -","- C340 H300 B4 Cl8 F96 N8 O4 P8 Zn4 -","4","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.0824","0.0568","","","0.1538","0.161","","","","","","1.095","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018411","15.008","0.003","15.591","0.003","16.299","0.003","89.306","0.002","76.703","0.002","85.884","0.002","3701.9","1.2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H61 B F24 N2 O P2 Zn -","- C78 H61 B F24 N2 O P2 Zn -","- C156 H122 B2 F48 N4 O2 P4 Zn2 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.0951","0.0652","","","0.1942","0.2149","","","","","","1.029","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018412","15.1464","0.0009","15.4468","0.0009","16.3669","0.0009","88.529","0.001","76.375","0.001","86.119","0.001","3712.8","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H59 B F24 N2 O P2 Zn -","- C77 H59 B F24 N2 O P2 Zn -","- C154 H118 B2 F48 N4 O2 P4 Zn2 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.0604","0.0463","","","0.1319","0.1398","","","","","","1.085","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018413","8.866","0.002","15.561","0.004","12.61","0.003","90","","109.266","0.002","90","","1642.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H44 B2 O2 P2 -","- C35 H44 B2 O2 P2 -","- C70 H88 B4 O4 P4 -","2","1","","Sun, Hongsui; Ritch, Jamie S.; Hayes, Paul G.","Ring-opening polymerisation of rac-lactide mediated by cationic zinc complexes featuring P-stereogenic bisphosphinimine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3701","3713","10.1039/c2dt11954d","","","0.71073","MoKα","","0.0294","0.0289","","","0.0851","0.0857","","","","","","1.059","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018414","21.151","0.002","16.3","0.001","7.921","0.001","90","","90","","90","","2730.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H20 N4 Pt S4 -","- C26 H20 N4 Pt S4 -","- C104 H80 N16 Pt4 S16 -","4","0.5","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Artizzu, Flavia; Serpe, Angela; Mercuri, Maria Laura; Simão, Dulce; Almeida, Manuel; Pizzotti, Maddalena; Tessore, Francesca; Deplano, Paola","Mixed-ligand Pt(ii) dithione-dithiolato complexes: influence of the dicyanobenzodithiolato ligand on the second-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3485","3493","10.1039/c2dt11956k","","","0.71073","MoKα","","0.061","0.0286","","","0.0561","0.0656","","","","","","1.004","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018415","7.639","0.002","8.088","0.002","8.169","0.002","67.86","0.003","71.56","0.003","84.827","0.003","443.25","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cu N5 O5 -","- C4 H8.03 Cu N5 O5 -","- C8 H16.06 Cu2 N10 O10 -","2","1","","Wriedt, Mario; Zhou, Hong-Cai Joe","Systematic investigations on magneto-structural correlations of copper(ii) coordination polymers based on organic ligands with mixed carboxylic and nitrogen-based moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4207","4216","10.1039/c2dt11965j","","","0.71073","MoKα","","0.0276","0.0253","","","0.0666","0.0681","","","","","","1.083","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018416","5.606","0.003","6.83","0.004","11.891","0.007","90","","99.379","0.007","90","","449.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cu N6 O2 -","- C6 H4 Cu N6 O2 -","- C12 H8 Cu2 N12 O4 -","2","0.5","","Wriedt, Mario; Zhou, Hong-Cai Joe","Systematic investigations on magneto-structural correlations of copper(ii) coordination polymers based on organic ligands with mixed carboxylic and nitrogen-based moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4207","4216","10.1039/c2dt11965j","","","0.71073","MoKα","","0.0534","0.0442","","","0.1002","0.1044","","","","","","1.097","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018417","9.272","0.003","6.864","0.003","14.484","0.005","90","","94.052","0.004","90","","919.5","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Cu N6 O3 -","- C6 H6 Cu N6 O3 -","- C24 H24 Cu4 N24 O12 -","4","1","","Wriedt, Mario; Zhou, Hong-Cai Joe","Systematic investigations on magneto-structural correlations of copper(ii) coordination polymers based on organic ligands with mixed carboxylic and nitrogen-based moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4207","4216","10.1039/c2dt11965j","","","0.71073","MoKα","","0.0224","0.0201","","","0.0538","0.0549","","","","","","1.072","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018418","7.5502","0.0019","12.884","0.003","10.036","0.003","90","","98.038","0.003","90","","966.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N5 O3 -","- C8 H7 Cu N5 O3 -","- C32 H28 Cu4 N20 O12 -","4","1","","Wriedt, Mario; Zhou, Hong-Cai Joe","Systematic investigations on magneto-structural correlations of copper(ii) coordination polymers based on organic ligands with mixed carboxylic and nitrogen-based moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4207","4216","10.1039/c2dt11965j","","","0.71073","MoKα","","0.0344","0.0271","","","0.0664","0.0701","","","","","","1.049","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018419","7.633","0.006","12.718","0.009","10.105","0.007","90","","101.016","0.008","90","","962.9","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cu N6 O3 -","- C7 H6 Cu N6 O3 -","- C28 H24 Cu4 N24 O12 -","4","1","","Wriedt, Mario; Zhou, Hong-Cai Joe","Systematic investigations on magneto-structural correlations of copper(ii) coordination polymers based on organic ligands with mixed carboxylic and nitrogen-based moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4207","4216","10.1039/c2dt11965j","","","0.71073","MoKα","","0.0586","0.0375","","","0.0931","0.1024","","","","","","1.05","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018420","7.6829","0.0017","10.533","0.002","11.055","0.002","62.913","0.002","80.351","0.002","85.288","0.002","785.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Mn3 N22 O10 -","- C16 H24 Mn3 N22 O10 -","- C16 H24 Mn3 N22 O10 -","1","0.5","","Li, Xiu-Bing; Wang, Kun; Ma, Yu; Gao, En-Qing; Liu, Cai-Ming","Three-dimensional networks based on trinuclear motifs with tricomponent azide-carboxylate-tetrazolate cobridges: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4188","4194","10.1039/c2dt11966h","","","0.71073","MoKα","","0.0286","0.0256","","","0.0705","0.0727","","","","","","1.106","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018421","13.1","0.02","19.77","0.03","14.05","0.03","90","","110.448","0.017","90","","3409","10","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Mn3 N22 O10.5 -","- C18 H24 Mn3 N22 O10.5 -","- C72 H96 Mn12 N88 O42 -","4","0.5","","Li, Xiu-Bing; Wang, Kun; Ma, Yu; Gao, En-Qing; Liu, Cai-Ming","Three-dimensional networks based on trinuclear motifs with tricomponent azide-carboxylate-tetrazolate cobridges: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4188","4194","10.1039/c2dt11966h","","","0.71073","MoKα","","0.0763","0.0548","","","0.1555","0.1684","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018422","12.1525","0.0007","7.8107","0.0005","14.4621","0.0008","90","","93.298","0.001","90","","1370.46","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br2 N2 Pd -","- C14 H12 Br2 N2 Pd -","- C56 H48 Br8 N8 Pd4 -","4","1","","Rimoldi, Martino; Ragaini, Fabio; Gallo, Emma; Ferretti, Francesco; Macchi, Piero; Casati, Nicola","Unexpected isomerism in ""[Pd(2,9-dimethylphenanthroline)X(2)]"" (X = Cl, Br, I) complexes: a neutral and an ionic form exist.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3648","3658","10.1039/c2dt11979j","","","0.71073","MoKα","","0.0353","0.025","","","0.0475","0.0488","","","","","","0.834","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018423","9.897","0.004","21.44","0.008","15.012","0.006","90","","102.442","0.005","90","","3111","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Cl6 N4 Pd2 -","- C29 H26 Cl6 N4 Pd2 -","- C116 H104 Cl24 N16 Pd8 -","4","1","","Rimoldi, Martino; Ragaini, Fabio; Gallo, Emma; Ferretti, Francesco; Macchi, Piero; Casati, Nicola","Unexpected isomerism in ""[Pd(2,9-dimethylphenanthroline)X(2)]"" (X = Cl, Br, I) complexes: a neutral and an ionic form exist.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3648","3658","10.1039/c2dt11979j","","","0.71069","MoKα","","0.0366","0.0258","","","0.0604","0.0697","","","","","","1.04","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018424","12.141","0.005","8.103","0.005","16.299","0.005","90.181","0.005","109.819","0.005","89.497","0.005","1508.4","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Br8 Cl2 N8 Pd4 -","- C57 H50 Br8 Cl2 N8 Pd4 -","- C57 H50 Br8 Cl2 N8 Pd4 -","1","0.5","","Rimoldi, Martino; Ragaini, Fabio; Gallo, Emma; Ferretti, Francesco; Macchi, Piero; Casati, Nicola","Unexpected isomerism in ""[Pd(2,9-dimethylphenanthroline)X(2)]"" (X = Cl, Br, I) complexes: a neutral and an ionic form exist.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3648","3658","10.1039/c2dt11979j","","","0.71069","MoKα","","0.0641","0.0426","","","0.1106","0.1347","","","","","","1.069","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018425","20.1737","0.0007","7.8067","0.0003","23.4069","0.0008","90","","93.16","0.002","90","","3680.7","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Br2 N2 O Pd S -","- C16 H18 Br2 N2 O Pd S -","- C128 H144 Br16 N16 O8 Pd8 S8 -","8","1","","Rimoldi, Martino; Ragaini, Fabio; Gallo, Emma; Ferretti, Francesco; Macchi, Piero; Casati, Nicola","Unexpected isomerism in ""[Pd(2,9-dimethylphenanthroline)X(2)]"" (X = Cl, Br, I) complexes: a neutral and an ionic form exist.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3648","3658","10.1039/c2dt11979j","","","0.71069","MoKα","","0.0911","0.0457","","","0.1017","0.1185","","","","","","1.015","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018426","17.348","0.005","7.517","0.005","24.825","0.005","90","","99.147","0.005","90","","3196","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Br2 Cl3 N4 O2 Pd -","- C29 H29 Br2 Cl3 N4 O2 Pd -","- C116 H116 Br8 Cl12 N16 O8 Pd4 -","4","1","","Rimoldi, Martino; Ragaini, Fabio; Gallo, Emma; Ferretti, Francesco; Macchi, Piero; Casati, Nicola","Unexpected isomerism in ""[Pd(2,9-dimethylphenanthroline)X(2)]"" (X = Cl, Br, I) complexes: a neutral and an ionic form exist.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3648","3658","10.1039/c2dt11979j","","","0.71069","MoKα","","0.1183","0.0746","","","0.1904","0.2165","","","","","","1.031","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018427","7.1953","0.0015","20.339","0.003","29.599","0.005","90","","94.67","0.02","90","","4317.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu!3$(4,4',4''-benzene-1,3,5-triyl-tribenzoato)- O,O',O'') -tris((1,4,8,11-tetra-azacyclotetradecane)-nickel(ii)) hexahydrate)","catena-(bis(μ~3~(4,4',4''-benzene-1,3,5-triyl-tribenzoato)-O,O',O'') -tris((1,4,8,11-tetra-azacyclotetradecane)-nickel(ii)) hexahydrate)","","- C84 H114 N12 Ni3 O18 -","- C84 H114 N12 Ni3 O18 -","- C168 H228 N24 Ni6 O36 -","2","0.5","","Lampeka, Yaroslaw D.; Tsymbal, Liudmyla V.; Barna, Andrij V.; Shuĺga, Yulija L; Shova, Sergiu; Arion, Vladimir B.","Catenation control in the two-dimensional coordination polymers based on tritopic carboxylate linkers and azamacrocyclic nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4118","4125","10.1039/c2dt11980c","","","0.7107","MoKα","","0.3022","0.0852","","","0.1261","0.1948","","","","","","1.058","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018428","9.2825","0.0007","27.248","0.002","16.1584","0.0011","90","","98.808","0.004","90","","4038.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu!3$-Benzene-1,3,5-tricarboxylato-O,O',O'')- tris((3-methyl-1, 3,5,8,12-penta-azacyclotetradecane)-nickel(ii)) decahydrate)","catena-(bis(μ~3~-Benzene-1,3,5-tricarboxylato-O,O',O'')-tris((3-methyl-1, 3,5,8,12-penta-azacyclotetradecane)-nickel(ii)) decahydrate)","","- C48 H101.5 N15 Ni3 O22.25 -","- C48 H81 N15 Ni3 O22.3 -","- C96 H162 N30 Ni6 O44.6 -","2","0.5","","Lampeka, Yaroslaw D.; Tsymbal, Liudmyla V.; Barna, Andrij V.; Shuĺga, Yulija L; Shova, Sergiu; Arion, Vladimir B.","Catenation control in the two-dimensional coordination polymers based on tritopic carboxylate linkers and azamacrocyclic nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4118","4125","10.1039/c2dt11980c","","","0.71073","MoKα","","0.1456","0.1299","","","0.3133","0.3195","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018429","7.3051","0.0003","20.3203","0.0008","29.5008","0.0018","90","","92.816","0.005","90","","4373.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu!3$-(4,4',4''-benzene-1,3,5-triyl-tribenzoato)- O,O',O'')-tris((3-methyl-1,3,5,8,12-penta-azacyclotetradecane)- nickel(ii)) hexahydrate)","catena-(bis(μ~3~-(4,4',4''-benzene-1,3,5-triyl-tribenzoato)-O,O',O'')- tris((3-methyl-1,3,5,8,12-penta-azacyclotetradecane)-nickel(ii)) hexahydrate)","","- C84 H117 N15 Ni3 O18 -","- C84 H117 N15 Ni3 O18 -","- C168 H234 N30 Ni6 O36 -","2","0.5","","Lampeka, Yaroslaw D.; Tsymbal, Liudmyla V.; Barna, Andrij V.; Shuĺga, Yulija L; Shova, Sergiu; Arion, Vladimir B.","Catenation control in the two-dimensional coordination polymers based on tritopic carboxylate linkers and azamacrocyclic nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4118","4125","10.1039/c2dt11980c","","","0.71073","MoKα","","0.134","0.0654","","","0.1617","0.1738","","","","","","1.009","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018430","19.062","0.0005","14.5264","0.0004","14.3781","0.0003","90","","92.312","0.001","90","","3978.09","0.17","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H46 Fe Mn2 N10 O8 -","- C31 H40 Fe Mn2 N10 O8 -","- C124 H160 Fe4 Mn8 N40 O32 -","4","0.5","","Peresypkina, Eugenia V.; Vostrikova, Kira E.","2[Mn(acacen)](+) + 1[Fe(CN)(5)NO](-) polynuclear heterobimetallic coordination compounds of different dimensionality in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4100","4106","10.1039/c2dt11983h","","","0.71073","MoKα","","0.0728","0.0654","","","0.1234","0.1263","","","","","","1.276","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018431","20.6997","0.0004","20.6997","0.0004","9.9205","0.0005","90","","90","","90","","4250.7","0.2","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C66 H92 Fe2 Mn4 N24 O14 -","- C66 H92 Fe2 Mn4 N24 O14 -","- C132 H184 Fe4 Mn8 N48 O28 -","2","0.25","","Peresypkina, Eugenia V.; Vostrikova, Kira E.","2[Mn(acacen)](+) + 1[Fe(CN)(5)NO](-) polynuclear heterobimetallic coordination compounds of different dimensionality in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4100","4106","10.1039/c2dt11983h","","","0.71073","MoKα","","0.0371","0.029","","","0.069","0.0731","","","","","","1.08","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018432","9.8861","0.0006","12.6888","0.0006","16.0244","0.0009","90","","107.551","0.001","90","","1916.57","0.18","150","0.2","150","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Fe Mn2 N10 O6 -","- C32 H44 Fe Mn2 N10 O6 -","- C64 H88 Fe2 Mn4 N20 O12 -","2","1","","Peresypkina, Eugenia V.; Vostrikova, Kira E.","2[Mn(acacen)](+) + 1[Fe(CN)(5)NO](-) polynuclear heterobimetallic coordination compounds of different dimensionality in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4100","4106","10.1039/c2dt11983h","","","0.71073","MoKα","","0.0381","0.029","","","0.0598","0.0625","","","","","","1.01","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018433","10.8355","0.0004","10.8355","0.0004","29.115","0.002","90","","90","","90","","3418.3","0.3","301","2","301","2","","","","","","","","6","P 43","P 4cw","78","","","","- C29 H36 Fe Mn2 N10 O5 -","- C29 H36 Fe Mn2 N10 O5 -","- C116 H144 Fe4 Mn8 N40 O20 -","4","1","","Peresypkina, Eugenia V.; Vostrikova, Kira E.","2[Mn(acacen)](+) + 1[Fe(CN)(5)NO](-) polynuclear heterobimetallic coordination compounds of different dimensionality in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4100","4106","10.1039/c2dt11983h","","","0.71073","MoKα","","0.0564","0.036","","","0.0752","0.0834","","","","","","0.955","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018434","7.0718","0.0004","7.8003","0.0005","9.0483","0.0006","89.35","0.001","74.71","0.001","73.96","0.002","461.69","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl6 N2 O2 U -","- C10 H10 Cl6 N2 O2 U -","- C10 H10 Cl6 N2 O2 U -","1","0.5","","Andrews, Michael B.; Cahill, Christopher L.","Utilizing hydrogen bonds and halogen-halogen interactions in the design of uranyl hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3911","3914","10.1039/c2dt11985d","","","0.71073","MoKα","","0.0173","0.0173","","","0.0427","0.0426","","","","","","1.124","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7018435","15.9678","0.0004","8.6856","0.0002","6.902","0.0002","90","","101.786","0.001","90","","937.06","0.04","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Br2 Cl4 N2 O2 U -","- C10 H10 Br2 Cl4 N2 O2 U -","- C20 H20 Br4 Cl8 N4 O4 U2 -","2","0.25","","Andrews, Michael B.; Cahill, Christopher L.","Utilizing hydrogen bonds and halogen-halogen interactions in the design of uranyl hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3911","3914","10.1039/c2dt11985d","","","0.71073","MoKα","","0.0218","0.0218","","","0.0573","0.0573","","","","","","1.06","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7018436","16.0625","0.0011","8.6269","0.0006","6.9848","0.0005","90","","102.847","0.002","90","","943.65","0.11","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H10 Cl4 I2 N2 O2 U -","- C10 H10 Cl4 I2 N2 O2 U -","- C20 H20 Cl8 I4 N4 O4 U2 -","2","0.25","","Andrews, Michael B.; Cahill, Christopher L.","Utilizing hydrogen bonds and halogen-halogen interactions in the design of uranyl hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3911","3914","10.1039/c2dt11985d","","","0.71073","MoKα","","0.0165","0.0164","","","0.0398","0.0398","","","","","","1.096","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7018437","7.1299","0.0001","8.1429","0.0002","9.2897","0.0002","89.208","0.001","73.853","0.001","71.952","0.001","491.028","0.018","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H10 Br4 Cl2 N2 O2 U -","- C10 H10 Br4 Cl2 N2 O2 U -","- C10 H10 Br4 Cl2 N2 O2 U -","1","0.5","","Andrews, Michael B.; Cahill, Christopher L.","Utilizing hydrogen bonds and halogen-halogen interactions in the design of uranyl hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3911","3914","10.1039/c2dt11985d","","","0.71073","MoKα","","0.0268","0.0229","","","0.0465","0.0478","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7018438","7.257","0.0004","7.9855","0.0005","9.495","0.0006","90.438","0.002","104.966","0.002","106.959","0.002","506.41","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br6 N2 O2 U -","- C10 H10 Br6 N2 O2 U -","- C10 H10 Br6 N2 O2 U -","1","0.5","","Andrews, Michael B.; Cahill, Christopher L.","Utilizing hydrogen bonds and halogen-halogen interactions in the design of uranyl hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3911","3914","10.1039/c2dt11985d","","","0.71073","MoKα","","0.0528","0.0438","","","0.1084","0.1139","","","","","","0.995","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7018439","7.8092","0.0003","8.4706","0.0003","8.8452","0.0003","87.171","0.001","70.308","0.001","71.225","0.001","520.42","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H10 Br4 I2 N2 O2 U -","- C10 H10 Br4 I2 N2 O2 U -","- C10 H10 Br4 I2 N2 O2 U -","1","0.5","","Andrews, Michael B.; Cahill, Christopher L.","Utilizing hydrogen bonds and halogen-halogen interactions in the design of uranyl hybrid materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3911","3914","10.1039/c2dt11985d","","","0.71073","MoKα","","0.0512","0.0353","","","0.0673","0.0727","","","","","","1.036","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7018440","15.1081","0.0012","11.5458","0.0007","10.5958","0.0007","90","","110.394","0.004","90","","1732.4","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Co2 N2 O8 P2 -","- C12 H26 Co2 N2 O8 P2 -","- C48 H104 Co8 N8 O32 P8 -","4","1","","Perry, Houston P.; Gagnon, Kevin J.; Law, Justin; Teat, Simon; Clearfield, Abraham","Divalent metal phosphonate coordination polymers constructed from a dipiperidine-based bisphosphonate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3985","3994","10.1039/c2dt11986b","","","0.71073","MoKα","","0.0398","0.0329","","","0.0822","0.0908","","","","","","1.109","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018441","10.17","0.004","9.611","0.004","10.184","0.004","90","","90.362","0.004","90","","995.4","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl Co N O3 P -","- C6 H12 Cl Co N O3 P -","- C24 H48 Cl4 Co4 N4 O12 P4 -","4","1","","Perry, Houston P.; Gagnon, Kevin J.; Law, Justin; Teat, Simon; Clearfield, Abraham","Divalent metal phosphonate coordination polymers constructed from a dipiperidine-based bisphosphonate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3985","3994","10.1039/c2dt11986b","","","0.71073","MoKα","","0.0299","0.0258","","","0.0699","0.0717","","","","","","1.045","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018442","6.435","0.0016","11.641","0.003","12.75","0.003","88.49","0.01","79.781","0.01","79.276","0.009","923.5","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Mn2 N2 O9 P2 -","- C12 H28 Mn2 N2 O9 P2 -","- C24 H56 Mn4 N4 O18 P4 -","2","1","","Perry, Houston P.; Gagnon, Kevin J.; Law, Justin; Teat, Simon; Clearfield, Abraham","Divalent metal phosphonate coordination polymers constructed from a dipiperidine-based bisphosphonate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3985","3994","10.1039/c2dt11986b","","","0.71073","MoKα","","0.0854","0.0507","","","0.1224","0.1599","","","","","","1.02","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018443","6.7806","0.0001","10.7596","0.0002","11.5754","0.0002","88.326","0.001","80.355","0.001","73.226","0.001","796.97","0.02","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 N O10 P2 Sn3 -","- C6 H16 N O10 P2 Sn3 -","- C12 H32 N2 O20 P4 Sn6 -","2","1","","Perry, Houston P.; Gagnon, Kevin J.; Law, Justin; Teat, Simon; Clearfield, Abraham","Divalent metal phosphonate coordination polymers constructed from a dipiperidine-based bisphosphonate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3985","3994","10.1039/c2dt11986b","","","0.71073","MoKα","","0.0225","0.0218","","","0.058","0.0584","","","","","","1.186","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018444","9.837","0.0019","16.889","0.003","35.248","0.007","90","","91.773","0.002","90","","5853.2","1.9","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H66 N6 O19 P6 Sn7 -","- C36 H66 N6 O19 P6 Sn7 -","- C144 H264 N24 O76 P24 Sn28 -","4","1","","Perry, Houston P.; Gagnon, Kevin J.; Law, Justin; Teat, Simon; Clearfield, Abraham","Divalent metal phosphonate coordination polymers constructed from a dipiperidine-based bisphosphonate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3985","3994","10.1039/c2dt11986b","","","0.71073","MoKα","","0.0464","0.0424","","","0.0849","0.0867","","","","","","1.115","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018445","8.9542","0.0004","9.4374","0.0004","21.4718","0.001","90","","90","","90","","1814.46","0.14","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H13 N O4 P Zn -","- C6 H11 N O4 P Zn -","- C48 H88 N8 O32 P8 Zn8 -","8","1","","Perry, Houston P.; Gagnon, Kevin J.; Law, Justin; Teat, Simon; Clearfield, Abraham","Divalent metal phosphonate coordination polymers constructed from a dipiperidine-based bisphosphonate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3985","3994","10.1039/c2dt11986b","","","0.71073","MoKα","","0.0584","0.0398","","","0.1035","0.1228","","","","","","1.187","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018446","10.1","0.002","22.427","0.005","11.398","0.002","90","","101.35","0.03","90","","2531.3","0.9","293.1","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N4 O12 Zn -","- C25 H18 N4 O12 Zn -","- C100 H72 N16 O48 Zn4 -","4","1","","Zhang, Xiao-Feng; Song, Wei-Chao; Yang, Qian; Bu, Xian-He","Zn(ii) and Cd(ii) coordination polymers assembled by di(1H-imidazol-1-yl)methane and carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4217","4223","10.1039/c2dt11990k","","","0.71073","MoKα","","0.1131","0.0707","","","0.1341","0.149","","","","","","1.117","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018447","8.815","0.0018","14.859","0.003","15.58","0.003","90","","92.25","0.03","90","","2039.1","0.7","293.1","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O6 Zn -","- C21 H18 N4 O6 Zn -","- C84 H72 N16 O24 Zn4 -","4","1","","Zhang, Xiao-Feng; Song, Wei-Chao; Yang, Qian; Bu, Xian-He","Zn(ii) and Cd(ii) coordination polymers assembled by di(1H-imidazol-1-yl)methane and carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4217","4223","10.1039/c2dt11990k","","","0.71073","MoKα","","0.1426","0.094","","","0.1622","0.1786","","","","","","1.178","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018448","18.061","0.004","31.309","0.006","15.114","0.003","90","","90","","90","","8547","3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C42 H34 Cd2 N8 O12 -","- C42 H30 Cd2 N8 O12 -","- C336 H240 Cd16 N64 O96 -","8","1","","Zhang, Xiao-Feng; Song, Wei-Chao; Yang, Qian; Bu, Xian-He","Zn(ii) and Cd(ii) coordination polymers assembled by di(1H-imidazol-1-yl)methane and carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4217","4223","10.1039/c2dt11990k","","","0.71073","MoKα","","0.0787","0.0555","","","0.0859","0.0914","","","","","","1.073","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018449","10.234","0.002","9.1507","0.0018","16.895","0.003","90","","103.79","0.03","90","","1536.6","0.5","293.1","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cd N4 O5 -","- C15 H14 Cd N4 O5 -","- C60 H56 Cd4 N16 O20 -","4","1","","Zhang, Xiao-Feng; Song, Wei-Chao; Yang, Qian; Bu, Xian-He","Zn(ii) and Cd(ii) coordination polymers assembled by di(1H-imidazol-1-yl)methane and carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4217","4223","10.1039/c2dt11990k","","","0.71073","MoKα","","0.0637","0.0432","","","0.0674","0.0719","","","","","","1.135","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018450","8.0047","0.0016","9.6594","0.0019","10.952","0.002","101.18","0.03","105.39","0.03","105.4","0.03","754.6","0.4","293.1","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Cd N4 O4 -","- C15 H12 Cd N4 O4 -","- C30 H24 Cd2 N8 O8 -","2","1","","Zhang, Xiao-Feng; Song, Wei-Chao; Yang, Qian; Bu, Xian-He","Zn(ii) and Cd(ii) coordination polymers assembled by di(1H-imidazol-1-yl)methane and carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4217","4223","10.1039/c2dt11990k","","","0.71073","MoKα","","0.0322","0.0277","","","0.0528","0.054","","","","","","1.325","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018451","21.373","0.002","8.9593","0.0009","25.33","0.003","90","","90","","90","","4850.4","0.9","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","x","","","- C49 H52 B Cl6 P Pt S -","- C49 H52 B Cl6 P Pt S -","- C196 H208 B4 Cl24 P4 Pt4 S4 -","4","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.0716","0.0451","","","0.0927","0.1048","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018452","11.2575","0.0005","27.0326","0.0013","13.7991","0.0007","90","","97.258","0.003","90","","4165.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 B Cl2 P Pd S -","- C47 H48 B Cl2 P Pd S -","- C188 H192 B4 Cl8 P4 Pd4 S4 -","4","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.1483","0.0961","","","0.1936","0.2131","","","","","","1.218","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018453","21.3801","0.0014","8.9678","0.0006","25.2512","0.0017","90","","90","","90","","4841.5","0.6","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","(PdCl2(TXPB))","","","- C49 H52 B Cl6 P Pd S -","- C49 H52 B Cl6 P Pd S -","- C196 H208 B4 Cl24 P4 Pd4 S4 -","4","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.0514","0.0421","","","0.1048","0.1118","","","","","","1.031","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018454","12.1463","0.0018","12.547","0.002","13.883","0.002","76.402","0.01","74.583","0.01","81.96","0.01","1975.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H43 Cl6 P Pd S -","- C37 H43 Cl6 P Pd S -","- C74 H86 Cl12 P2 Pd2 S2 -","2","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.1966","0.0877","","","0.1715","0.2091","","","","","","1.044","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018455","22.18","0.02","9.043","0.008","24.75","0.02","90","","90","","90","","4964","7","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C48.31 H50.62 B Cl2.62 I2 P Pt S -","- C48.302 H50.604 B Cl2.604 I2 P Pt S -","- C193.208 H202.416 B4 Cl10.416 I8 P4 Pt4 S4 -","4","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.1661","0.0652","","","0.1222","0.1573","","","","","","1.021","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018456","12.451","0.002","12.803","0.002","13.852","0.002","75.815","0.002","74.648","0.002","80.524","0.004","2052.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.5 H42 Cl3 I2 P Pt S -","- C36 H41 Cl2 I2 P Pt S -","- C72 H82 Cl4 I4 P2 Pt2 S2 -","2","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.1518","0.0673","","","0.1269","0.1513","","","","","","0.868","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018457","12.2967","0.0015","17.7483","0.0021","5.9887","0.0008","90","","104.626","0.006","90","","1264.7","0.3","473","","473","","","","","","","","","6","P 1 21 1","P 2yb","4","LaH5DTMP ANH","","","- C10 H25 La N2 O12 P4 -","- C10 La N2 O12 P4 -","- C20 La2 N4 O24 P8 -","2","1","","Colodrero, Rosario M. P.; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; Leon-Reina, Laura; Papadaki, Maria; McKinlay, Alistair C.; Morris, Russell E.; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional lanthanum tetraphosphonates: Flexible, ultramicroporous and proton-conducting hybrid frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4045","4051","10.1039/c2dt11992g","powder diffraction","x-ray","1.5406","","","","","","","","","0.11687","","2.75","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018458","13.3444","0.0005","18.782","0.0004","5.84903","0.00023","90","","97.711","0.004","90","","1452.71","0.09","","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","LaH5DTMP.7H2O","","","- C10 H39 La N2 O19 P4 -","- C10 La N2 O19 P4 -","- C20 La2 N4 O38 P8 -","2","1","","Colodrero, Rosario M. P.; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; Leon-Reina, Laura; Papadaki, Maria; McKinlay, Alistair C.; Morris, Russell E.; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional lanthanum tetraphosphonates: Flexible, ultramicroporous and proton-conducting hybrid frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4045","4051","10.1039/c2dt11992g","powder diffraction","x-ray","0.2998","","","","","","","","","0.09562","","2.75","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018459","12.5035","0.0006","18.1874","0.001","5.82","0.00033","90","","101.923","0.004","90","","1294.95","0.12","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","LaH5DTMP.2H2O","","","- C10 H29 La N2 O14 P4 -","- C10 La N2 O14 P4 -","- C20 La2 N4 O28 P8 -","2","1","","Colodrero, Rosario M. P.; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; Leon-Reina, Laura; Papadaki, Maria; McKinlay, Alistair C.; Morris, Russell E.; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional lanthanum tetraphosphonates: Flexible, ultramicroporous and proton-conducting hybrid frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4045","4051","10.1039/c2dt11992g","powder diffraction","x-ray","1.5406","","","","","","","","","0.12184","","4.52","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018460","9.5395","0.0002","11.7926","0.0002","11.8861","0.0002","110.204","0.001","111.329","0.001","90.908","0.001","1153.5","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Co-Nitroisophthalate","","","- C36 H16 Co5 N10 O30 -","- C36 H16 Co5 N10 O30 -","- C36 H16 Co5 N10 O30 -","1","0.5","","Sarma, Debajit; Srivastava, Vishwas; Natarajan, Srinivasan","Aza-heterocyclic ligand assisted assembly of new cobalt MOFs with pcu and graphite related structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4135","4145","10.1039/c2dt11993e","","","0.71073","MoKα","","0.0264","0.0245","","","0.0737","0.0747","","","","","","1.059","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018461","9.259","0.003","11.177","0.004","12.131","0.004","108.02","0.03","91.64","0.03","105.27","0.03","1143.4","0.7","503","2","503","2","","","","","","","","5","P -1","-P 1","2","Co-Nitroisophthalate","","","- C36 H16 Co5 N10 O24 -","- C36 H16 Co5 N10 O24 -","- C36 H16 Co5 N10 O24 -","1","0.5","","Sarma, Debajit; Srivastava, Vishwas; Natarajan, Srinivasan","Aza-heterocyclic ligand assisted assembly of new cobalt MOFs with pcu and graphite related structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4135","4145","10.1039/c2dt11993e","","","0.71073","MoKα","","0.2335","0.1316","","","0.3108","0.3833","","","","","","0.988","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018462","9.202","0.003","11.088","0.004","11.992","0.003","108.58","0.03","91.4","0.02","104.71","0.03","1114.3","0.7","423","2","423","2","","","","","","","","5","P -1","-P 1","2","Co-Nitroisophthalate","","","- C36 H16 Co5 N10 O26 -","- C36 H16 Co5 N10 O26 -","- C36 H16 Co5 N10 O26 -","1","0.5","","Sarma, Debajit; Srivastava, Vishwas; Natarajan, Srinivasan","Aza-heterocyclic ligand assisted assembly of new cobalt MOFs with pcu and graphite related structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4135","4145","10.1039/c2dt11993e","","","0.71073","MoKα","","0.2368","0.1211","","","0.2804","0.3461","","","","","","0.952","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018463","10.5193","0.0002","12.517","0.0002","11.5835","0.0002","90","","103.723","0.001","90","","1481.66","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-Nitroisophthalate","","","- C10 H7 Co2 N5 O9 -","- C10 H7 Co2 N5 O9 -","- C40 H28 Co8 N20 O36 -","4","1","","Sarma, Debajit; Srivastava, Vishwas; Natarajan, Srinivasan","Aza-heterocyclic ligand assisted assembly of new cobalt MOFs with pcu and graphite related structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4135","4145","10.1039/c2dt11993e","","","0.71073","MoKα","","0.0276","0.0261","","","0.0677","0.0686","","","","","","1.053","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018464","11.0633","0.0006","12.5347","0.0005","11.1579","0.0007","90","","104.12","0.006","90","","1500.57","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-Nitroisophthalate","","","- C10 H11 Co2 N6 O9 -","- C10 H11 Co2 N6 O9 -","- C40 H44 Co8 N24 O36 -","4","1","","Sarma, Debajit; Srivastava, Vishwas; Natarajan, Srinivasan","Aza-heterocyclic ligand assisted assembly of new cobalt MOFs with pcu and graphite related structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4135","4145","10.1039/c2dt11993e","","","0.71073","MoKα","","0.083","0.0541","","","0.1391","0.1534","","","","","","1.049","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018465","9.3053","0.0005","7.3774","0.0004","11.0119","0.0007","90","","91.544","0.003","90","","755.68","0.08","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H21 Ag N2 O2 -","- C15 H21 Ag N2 O2 -","- C30 H42 Ag2 N4 O4 -","2","0.5","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0769","0.0559","","","0.1534","0.1776","","","","","","1.104","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018466","16.4222","0.0004","8.8202","0.0003","19.0174","0.0006","90","","99.643","0.002","90","","2715.69","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound X","","","- C28 H39 Ag N4 O2 -","- C28 H39 Ag N4 O2 -","- C112 H156 Ag4 N16 O8 -","4","1","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0559","0.0415","","","0.1049","0.1212","","","","","","1.083","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018467","15.732","0.0006","10.8906","0.0004","16.5008","0.0006","90","","90","","90","","2827.1","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl Cu N2 -","- C13 H18 Cl Cu N2 -","- C104 H144 Cl8 Cu8 N16 -","8","1","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0483","0.0329","","","0.1202","0.1351","","","","","","1.015","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018468","10.7467","0.0004","27.718","0.0012","10.9348","0.0005","90","","93.947","0.002","90","","3249.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl5 Cu N4 -","- C28 H40 Cl5 Cu N4 -","- C112 H160 Cl20 Cu4 N16 -","4","1","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0841","0.0621","","","0.1827","0.1978","","","","","","1.039","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018469","12.417","0.002","13.0539","0.0012","13.0767","0.0012","118.415","0.002","100.83","0.003","91.347","0.003","1815.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H92 Ag4 N8 S4 -","- C76 H92 Ag4 N8 S4 -","- C76 H92 Ag4 N8 S4 -","1","0.5","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.1","0.0459","","","0.0726","0.0894","","","","","","0.988","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018470","12.438","0.003","13.165","0.003","13.217","0.003","118.35","0.006","91.274","0.006","101.302","0.006","1851","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H92 Ag4 N8 Se4 -","- C76 H92 Ag4 N8 Se4 -","- C76 H92 Ag4 N8 Se4 -","1","0.5","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.1512","0.0549","","","0.0824","0.101","","","","","","0.879","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018471","15.5206","0.0006","15.5206","0.0006","40.62","0.003","90","","90","","120","","8474","0.8","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C57 H69 Cu3 N6 S3 -","- C57 H69 Cu3 N6 S3 -","- C342 H414 Cu18 N36 S18 -","6","0.333333","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0513","0.0326","","","0.0664","0.0742","","","","","","1.003","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018472","15.5939","0.0005","15.5939","0.0005","40.87","0.002","90","","90","","120","","8606.9","0.6","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C57 H69 Cu3 N6 Se3 -","- C57 H69 Cu3 N6 Se3 -","- C342 H414 Cu18 N36 Se18 -","6","0.333333","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0484","0.0319","","","0.0649","0.0715","","","","","","1.023","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018473","18.2919","0.0014","19.8972","0.0005","23.2951","0.0011","90","","98.408","0.006","90","","8387.3","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H118 Cl16 N6 Ni8 O14 -","- C52 H118 Cl16 N6 Ni8 O14 -","- C208 H472 Cl64 N24 Ni32 O56 -","4","1","","Scheurer, Andreas; Gieb, Klaus; Alam, Mohammad S.; Heinemann, Frank W.; Saalfrank, Rolf W.; Kroener, Wolfgang; Petukhov, Konstantin; Stocker, Michael; Müller, Paul","Synthesis, magnetic properties, and STM spectroscopy of an unprecedented octanuclear chloro-bridged nickel(ii) double cubane.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3553","3561","10.1039/c2dt12007k","","","0.71073","MoKα","","0.0702","0.0378","","","0.0791","0.0928","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018474","17.1078","0.0009","17.1078","0.0009","17.1078","0.0009","90","","90","","90","","5007.1","0.5","180","2","180","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","PCM-14 (180 K)","","","- C22 H25 Ca O11 P -","- C22 H21 Ca O11 P -","- C176 H168 Ca8 O88 P8 -","8","0.333333","","Ibarra, Ilich A.; Tan, Kristina E.; Lynch, Vincent M.; Humphrey, Simon M.","CO(2) adsorption properties of a Ca(ii)-based organophosphonium coordination material.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3920","3923","10.1039/c2dt12011a","","","0.71073","MoKα","","0.0909","0.0555","","","0.1163","0.1352","","","","","","1.031","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018475","17.124","0.002","17.124","0.002","17.124","0.002","90","","90","","90","","5021.3","1","375","2","375","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","PCM-14 (375 K)","","","- C22 H24 Ca O10.5 P -","- C22 H21 Ca O10.5 P -","- C176 H168 Ca8 O84 P8 -","8","0.333333","","Ibarra, Ilich A.; Tan, Kristina E.; Lynch, Vincent M.; Humphrey, Simon M.","CO(2) adsorption properties of a Ca(ii)-based organophosphonium coordination material.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3920","3923","10.1039/c2dt12011a","","","0.71073","MoKα","","0.1065","0.0594","","","0.143","0.1597","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018476","10.7482","0.0012","11.7997","0.0013","14.7279","0.0015","90","","90","","90","","1867.9","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","2","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle","A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4224","4231","10.1039/c2dt12016j","","","0.71073","MoKα","","0.1068","0.0547","","","0.1","0.1177","","","","","","0.955","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018477","31.9819","0.0012","31.9819","0.0012","25.3323","0.0011","90","","90","","90","","25910.9","1.8","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C106.25 H96.75 Co4 N11.25 O23.75 -","- C106.25 H88 Co4 N11.25 O23.75 -","- C850 H704 Co32 N90 O190 -","8","1","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle","A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4224","4231","10.1039/c2dt12016j","","","0.71073","MoKα","","0.1514","0.0764","","","0.2142","0.2718","","","","","","1.008","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018478","31.8199","0.0019","31.8199","0.0019","25.1149","0.0015","90","","90","","90","","25429","3","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C108.8 H98.7 N11.6 Ni4 O22.35 -","- C108.3 H92.95 N11.6 Ni4 O22.1 -","- C866.4 H743.6 N92.8 Ni32 O176.8 -","8","1","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle","A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4224","4231","10.1039/c2dt12016j","","","0.71073","MoKα","","0.202","0.1397","","","0.3935","0.4313","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018479","13.0975","0.0006","18.1635","0.0009","21.5542","0.001","90","","102.238","0.001","90","","5011.1","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Co4 N6 O23 -","- C32 H22 Co4 N6 O17 -","- C128 H88 Co16 N24 O68 -","4","1","","Chen, Qing; Xue, Wei; Lin, Jian-Bin; Lin, Rui-Biao; Zeng, Ming-Hua; Chen, Xiao-Ming","Highly-connected, porous coordination polymers based on [M(4)(μ(3)-OH)(2)] (M = Co(II) and Ni(II)) clusters: different networks, adsorption and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4199","4206","10.1039/c2dt12022d","","","0.71073","MoKα","","0.0709","0.0567","","","0.1396","0.1469","","","","","","1.028","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018480","13.0989","0.0007","18.4444","0.0009","22.0504","0.0012","90","","103.202","0.001","90","","5186.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 N5 Ni4 O20 -","- C33 H22 N5 Ni4 O14 -","- C132 H88 N20 Ni16 O56 -","4","1","","Chen, Qing; Xue, Wei; Lin, Jian-Bin; Lin, Rui-Biao; Zeng, Ming-Hua; Chen, Xiao-Ming","Highly-connected, porous coordination polymers based on [M(4)(μ(3)-OH)(2)] (M = Co(II) and Ni(II)) clusters: different networks, adsorption and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4199","4206","10.1039/c2dt12022d","","","0.71073","MoKα","","0.0629","0.0463","","","0.1202","0.1262","","","","","","1.019","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018481","18.8164","0.0002","19.3559","0.0002","30.02","0.0004","103.749","0.002","93.328","0.002","117.501","0.002","9239.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C162 H137 B Cd17 N8 S29 -","- C162 H137 B Cd17 N8 S29 -","- C324 H274 B2 Cd34 N16 S58 -","2","1","","Chen, Ziyi; Luo, Daibing; Luo, Xiuchao; Kang, Maoping; Lin, Zhien","Two-dimensional assembly of tetrahedral chalcogenide clusters with tetrakis(imidazolyl)borate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3942","3944","10.1039/c2dt12043g","","","0.71073","MoKα","","0.079","0.0576","","","0.1449","0.1607","","","","","","1.014","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018482","8.704","0.004","10.611","0.005","12.345","0.005","90","","105.085","0.008","90","","1100.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 Cu2 N6 O12 -","- C12 H34 Cu2 N6 O12 -","- C24 H68 Cu4 N12 O24 -","2","0.5","","Tabassum, Sartaj; Al-Asbahy, Waddhaah M; Afzal, Mohd; Arjmand, Farukh; Bagchi, Vivek","Molecular drug design, synthesis and structure elucidation of a new specific target peptide based metallo drug for cancer chemotherapy as topoisomerase I inhibitor.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4955","4964","10.1039/c2dt12044e","","","0.71073","MoKα","","0.1006","0.0419","","","0.0556","0.0667","","","","","","0.982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018483","24.122","0.005","8.3816","0.0017","17.332","0.004","90","","95.05","0.03","90","","3490.6","1.3","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Magnesium(II)-imidazolo-imidazolate coordination polymer","Tris-imidazolo-di-imidazolato-Magnesium(II)","","- C15 H18 Mg N10 -","- C15 H18 Mg N10 -","- C120 H144 Mg8 N80 -","8","1","","Zurawski, Alexander; Rybak, J-Christoph; Meyer, Larissa V.; Matthes, Philipp R.; Stepanenko, Vladimir; Dannenbauer, Nicole; Würthner, Frank; Müller-Buschbaum, Klaus","Alkaline earth imidazolate coordination polymers by solvent free melt synthesis as potential host lattices for rare earth photoluminescence: (x)(∞)[AE(Im)(2)(ImH)(2-3)], Mg, Ca, Sr, Ba, x = 1-2.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4067","4078","10.1039/c2dt12047j","","","0.71073","MoKα","","0.0582","0.0377","","","0.0885","0.0954","","","","","","0.897","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018484","9.0134","0.0018","8.6684","0.0017","10.313","0.002","90","","114.68","0.03","90","","732.2","0.3","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Calcium(II)-imidazolo-imidazolate network","Bis-imidazolo-di-imidazolato-Calcium(II)","","- C12 H14 Ca N8 -","- C12 H14 Ca N8 -","- C24 H28 Ca2 N16 -","2","0.5","","Zurawski, Alexander; Rybak, J-Christoph; Meyer, Larissa V.; Matthes, Philipp R.; Stepanenko, Vladimir; Dannenbauer, Nicole; Würthner, Frank; Müller-Buschbaum, Klaus","Alkaline earth imidazolate coordination polymers by solvent free melt synthesis as potential host lattices for rare earth photoluminescence: (x)(∞)[AE(Im)(2)(ImH)(2-3)], Mg, Ca, Sr, Ba, x = 1-2.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4067","4078","10.1039/c2dt12047j","","","0.71073","MoKα","","0.1428","0.0579","","","0.1249","0.1475","","","","","","0.836","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7018485","10.562","0.002","10.559","0.002","13.894","0.003","90","","95.28","0.03","90","","1542.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Strontium(II)-imidazolo-imidazolate network","Bis-imidazolo-di-imidazolato-Strontium(II)","","- C12 H14 N8 Sr -","- C12 H14 N8 Sr -","- C48 H56 N32 Sr4 -","4","1","","Zurawski, Alexander; Rybak, J-Christoph; Meyer, Larissa V.; Matthes, Philipp R.; Stepanenko, Vladimir; Dannenbauer, Nicole; Würthner, Frank; Müller-Buschbaum, Klaus","Alkaline earth imidazolate coordination polymers by solvent free melt synthesis as potential host lattices for rare earth photoluminescence: (x)(∞)[AE(Im)(2)(ImH)(2-3)], Mg, Ca, Sr, Ba, x = 1-2.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4067","4078","10.1039/c2dt12047j","","","0.71073","MoKα","","0.0696","0.029","","","0.0437","0.0476","","","","","","0.773","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018486","9.3527","0.0019","9.6806","0.0019","18.312","0.005","90","","116.81","0.02","90","","1479.7","0.6","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Barium(II)-imidazolo-imidazolate coordination polymer","Bis-imidazolo-di-imidazolato-Barium(II)","","- C12 H14 Ba N8 -","- C12 H14 Ba N8 -","- C48 H56 Ba4 N32 -","4","1","","Zurawski, Alexander; Rybak, J-Christoph; Meyer, Larissa V.; Matthes, Philipp R.; Stepanenko, Vladimir; Dannenbauer, Nicole; Würthner, Frank; Müller-Buschbaum, Klaus","Alkaline earth imidazolate coordination polymers by solvent free melt synthesis as potential host lattices for rare earth photoluminescence: (x)(∞)[AE(Im)(2)(ImH)(2-3)], Mg, Ca, Sr, Ba, x = 1-2.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4067","4078","10.1039/c2dt12047j","","","0.71073","MoKα","","0.0708","0.0486","","","0.1216","0.1327","","","","","","0.839","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018487","41.597","0.003","10.8709","0.0008","21.9171","0.0016","90","","118.465","0.001","90","","8712.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Ni O4 P2 -","- C50 H48 Ni O4 P2 -","- C400 H384 Ni8 O32 P16 -","8","1","","Wan, Da-Wei; Gao, Yan-Shan; Li, Jun-Fang; Shen, Qi; Sun, Xiu-Li; Tang, Yong","Synthesis, structure, and ethylene polymerization behavior of nickel complexes based on benzoylmethylenetri(2-alkoxylphenyl)phosphorane.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4552","4557","10.1039/c2dt12052f","","","0.71073","MoKα","","0.1219","0.0659","","","0.1602","0.1902","","","","","","0.913","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018488","17.5838","0.0015","13.0885","0.0011","20.7174","0.0018","90","","97.551","0.002","90","","4726.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H54 Ni O4 P2 -","- C53 H54 Ni O4 P2 -","- C212 H216 Ni4 O16 P8 -","4","1","","Wan, Da-Wei; Gao, Yan-Shan; Li, Jun-Fang; Shen, Qi; Sun, Xiu-Li; Tang, Yong","Synthesis, structure, and ethylene polymerization behavior of nickel complexes based on benzoylmethylenetri(2-alkoxylphenyl)phosphorane.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4552","4557","10.1039/c2dt12052f","","","0.71073","MoKα","","0.1187","0.0555","","","0.1275","0.14","","","","","","0.864","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018489","14.5218","0.0003","23.7365","0.0005","18.5141","0.0004","90","","112.551","0.001","90","","5893.8","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H80 Ni O4 P2 -","- C65 H80 Ni O4 P2 -","- C260 H320 Ni4 O16 P8 -","4","1","","Wan, Da-Wei; Gao, Yan-Shan; Li, Jun-Fang; Shen, Qi; Sun, Xiu-Li; Tang, Yong","Synthesis, structure, and ethylene polymerization behavior of nickel complexes based on benzoylmethylenetri(2-alkoxylphenyl)phosphorane.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4552","4557","10.1039/c2dt12052f","","","1.54178","CuKα","","0.0569","0.0521","","","0.1524","0.1592","","","","","","1.026","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018490","18.1954","0.0009","10.2494","0.0005","21.1754","0.001","90","","94.797","0.002","90","","3935.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Ni O4 P2 -","- C47 H42 Ni O4 P2 -","- C188 H168 Ni4 O16 P8 -","4","1","","Wan, Da-Wei; Gao, Yan-Shan; Li, Jun-Fang; Shen, Qi; Sun, Xiu-Li; Tang, Yong","Synthesis, structure, and ethylene polymerization behavior of nickel complexes based on benzoylmethylenetri(2-alkoxylphenyl)phosphorane.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4552","4557","10.1039/c2dt12052f","","","0.71073","MoKα","","0.0592","0.0387","","","0.0949","0.1067","","","","","","1.063","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018491","11.45636","0.00011","8.63998","0.00009","13.46297","0.00015","90","","105.142","0.0011","90","","1286.34","0.02","90","2","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N6 O11 -","- C22 H34 N6 O11 -","- C44 H68 N12 O22 -","2","0.5","","Richards, Victoria J.; Argent, Stephen P.; Kewley, Adam; Blake, Alexander J.; Lewis, William; Champness, Neil R.","Supramolecular isomers of metal-organic frameworks: the role of a new mixed donor imidazolate-carboxylate tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4020","4026","10.1039/c2dt12055k","","","1.5418","CuKα","","0.0395","0.0377","","","0.102","0.104","","","","","","1.063","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018492","19.496","0.007","19.496","0.007","15.769","0.007","90","","90","","90","","5994","4","90","2","90","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C44 H44 N12 O12 Zn2 -","- C44 H44 N12 O12 Zn2 -","- C176 H176 N48 O48 Zn8 -","4","0.125","","Richards, Victoria J.; Argent, Stephen P.; Kewley, Adam; Blake, Alexander J.; Lewis, William; Champness, Neil R.","Supramolecular isomers of metal-organic frameworks: the role of a new mixed donor imidazolate-carboxylate tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4020","4026","10.1039/c2dt12055k","","","1.54184","CuKα","","0.102","0.0974","","","0.288","0.294","","","","","","1.17","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018493","11.4211","0.0003","8.5517","0.0002","13.4463","0.0003","90","","93.083","0.002","90","","1311.4","0.05","90.15","","90.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Co N6 O12 -","- C22 H33.22 Co N6 O12 -","- C44 H66.44 Co2 N12 O24 -","2","0.5","","Richards, Victoria J.; Argent, Stephen P.; Kewley, Adam; Blake, Alexander J.; Lewis, William; Champness, Neil R.","Supramolecular isomers of metal-organic frameworks: the role of a new mixed donor imidazolate-carboxylate tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4020","4026","10.1039/c2dt12055k","","","1.54178","CuKα","","0.0408","0.038","","","0.111","0.113","","","","","","1.085","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018494","11.4968","0.0005","8.583","0.0003","13.5611","0.0005","90","","93.193","0.002","90","","1336.09","0.09","90","2","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Mn N6 O12 -","- C22 H32.86 Mn N6 O12 -","- C44 H65.72 Mn2 N12 O24 -","2","0.5","","Richards, Victoria J.; Argent, Stephen P.; Kewley, Adam; Blake, Alexander J.; Lewis, William; Champness, Neil R.","Supramolecular isomers of metal-organic frameworks: the role of a new mixed donor imidazolate-carboxylate tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4020","4026","10.1039/c2dt12055k","","","0.71073","MoKα","","0.0534","0.0496","","","0.154","0.158","","","","","","1.097","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018495","7.2247","0.0016","9.021","0.002","11.662","0.002","97.094","0.017","98.186","0.017","110.63","0.02","691.6","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 Mn N6 O12 -","- C22 H34 Mn N6 O12 -","- C22 H34 Mn N6 O12 -","1","0.5","","Richards, Victoria J.; Argent, Stephen P.; Kewley, Adam; Blake, Alexander J.; Lewis, William; Champness, Neil R.","Supramolecular isomers of metal-organic frameworks: the role of a new mixed donor imidazolate-carboxylate tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4020","4026","10.1039/c2dt12055k","","","0.71073","MoKα","","0.106","0.066","","","0.148","0.177","","","","","","1.03","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018496","9.3009","0.0006","10.5787","0.0007","11.2121","0.0007","92.593","0.005","97.681","0.005","111.597","0.006","1011.17","0.12","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H58 Cu N6 O24 -","- C22 H50 Cu N6 O24 -","- C22 H50 Cu N6 O24 -","1","0.5","","Richards, Victoria J.; Argent, Stephen P.; Kewley, Adam; Blake, Alexander J.; Lewis, William; Champness, Neil R.","Supramolecular isomers of metal-organic frameworks: the role of a new mixed donor imidazolate-carboxylate tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4020","4026","10.1039/c2dt12055k","","","1.5418","CuKα","","0.0873","0.0613","","","0.145","0.156","","","","","","1.09","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018497","16.4879","0.0004","9.9059","0.0002","9.463","0.0002","90","","90","","90","","1545.57","0.06","173","","173","","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C29 H40 Cl2 Co N6 O3 -","- C29 H40 Cl2 Co N6 O3 -","- C58 H80 Cl4 Co2 N12 O6 -","2","0.5","","Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4107","4117","10.1039/c2dt12056a","","","0.7107","MoKα","","","0.0224","","","","0.0553","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018498","17.253","0.0018","9.6464","0.001","19.861","0.002","90","","90.157","0.0012","90","","3305.4","0.6","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Br2 Co N6 O3 -","- C30 H41 Br2 Co N6 O3 -","- C120 H164 Br8 Co4 N24 O12 -","4","1","","Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4107","4117","10.1039/c2dt12056a","","","0.7107","MoKα","","","0.0362","","","","0.0816","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018499","14.3245","0.0016","14.4477","0.0015","19.422","0.003","90","","105.062","0.0011","90","","3881.4","0.8","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 Co I2 N9 O2 -","- C34 H45 Co I2 N9 O2 -","- C136 H180 Co4 I8 N36 O8 -","4","1","","Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4107","4117","10.1039/c2dt12056a","","","0.7107","MoKα","","","0.035","","","","0.0906","","","","","","1.079","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018500","15.481","0.002","11.3452","0.0016","19.959","0.003","90","","100.813","0.0018","90","","3443.3","0.8","173.1","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 Cl2 Co N6 O11 -","- C29 H40 Cl2 Co N6 O11 -","- C116 H160 Cl8 Co4 N24 O44 -","4","1","","Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4107","4117","10.1039/c2dt12056a","","","0.7107","MoKα","","","0.0371","","","","0.0984","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018501","10.2382","0.0019","9.9596","0.0018","32.203","0.006","90","","96.493","0.002","90","","3262.6","1","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Co N13 O2 -","- C30 H39 Co N13 O2 -","- C120 H156 Co4 N52 O8 -","4","1","","Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4107","4117","10.1039/c2dt12056a","","","0.7107","MoKα","","","0.0486","","","","0.1304","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018502","9.9315","0.0015","10.0025","0.0015","31.837","0.005","90","","95.909","0.0017","90","","3145.9","0.8","173.1","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 Co N12 O3 -","- C29 H40 Co N12 O3 -","- C116 H160 Co4 N48 O12 -","4","1","","Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4107","4117","10.1039/c2dt12056a","","","0.7107","MoKα","","","0.0507","","","","0.1298","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018503","13.421","0.004","16.381","0.004","15.591","0.004","90","","111.18","0.003","90","","3196.1","1.5","173.1","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Cl Co2 N21 O8 -","- C56 H72 Cl Co2 N21 O8 -","- C112 H144 Cl2 Co4 N42 O16 -","2","0.5","","Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4107","4117","10.1039/c2dt12056a","","","0.7107","MoKα","","","0.0696","","","","0.1933","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018504","28.793","0.004","13.5107","0.0017","23.222","0.004","90","","121.159","0.0012","90","","7730","2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H40 Co F12 N6 O3 Sb2 -","- C29 H40 Co F12 N6 O3 Sb2 -","- C232 H320 Co8 F96 N48 O24 Sb16 -","8","1","","Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4107","4117","10.1039/c2dt12056a","","","0.7107","MoKα","","","0.037","","","","0.0898","","","","","","1.056","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018505","15.508","0.011","19.22","0.013","25.211","0.017","90","","90","","90","","7514","9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H40 N10 O15 Zn5 -","- C39 H40 N10 O15 Zn5 -","- C156 H160 N40 O60 Zn20 -","4","0.5","","Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Novel Iso-Reticular Zn(ii) Metal-Organic Frameworks constructed by Trinuclear-Triangular and Paddle-Wheel Units: Synthesis, Structure and Gas Adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4007","4011","10.1039/c2dt12059c","","","0.71073","MoKα","","0.1016","0.0551","","","0.1619","0.17","","","","","","0.892","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018506","15.585","0.004","19.237","0.005","25.305","0.007","90","","90","","90","","7587","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H48 N10 O22 Zn5 -","- C39 H48 N10 O22 Zn5 -","- C156 H192 N40 O88 Zn20 -","4","0.5","","Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Novel Iso-Reticular Zn(ii) Metal-Organic Frameworks constructed by Trinuclear-Triangular and Paddle-Wheel Units: Synthesis, Structure and Gas Adsorption.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4007","4011","10.1039/c2dt12059c","","","0.71073","MoKα","","0.2056","0.1067","","","0.2725","0.3441","","","","","","1.038","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018507","9.939","0.008","6.873","0.006","12.286","0.01","90","","93.407","0.011","90","","837.8","1.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 N2 O6 P Zn -","- C17 H15 N2 O6 P Zn -","- C34 H30 N4 O12 P2 Zn2 -","2","1","","Chen, Zhenxia; Yang, Haiyang; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","Metal complexes as templates: syntheses, structures, and luminescent properties of two zinc phosphonocarboxylates with ABW-zeolite topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4079","4083","10.1039/c2dt12060g","","","0.71073","MoKα","","0.0982","0.0927","","","0.2414","0.2536","","","","","","1.116","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018508","8.488","0.003","11.944","0.004","17.641","0.005","102.156","0.004","94.261","0.004","90.904","0.004","1742.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 N2 O15 P3 Zn2 -","- C31 H25 N2 O15 P3 Zn2 -","- C62 H50 N4 O30 P6 Zn4 -","2","1","","Chen, Zhenxia; Yang, Haiyang; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","Metal complexes as templates: syntheses, structures, and luminescent properties of two zinc phosphonocarboxylates with ABW-zeolite topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4079","4083","10.1039/c2dt12060g","","","0.71073","MoKα","","0.0538","0.0453","","","0.1172","0.1255","","","","","","1.011","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018509","10.299","0.003","14.826","0.004","19.221","0.006","88.308","0.004","86.341","0.005","74.338","0.004","2819.9","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 N2 O12 P2 Zn3 -","- C24 H16 N2 O12 P2 Zn3 -","- C96 H64 N8 O48 P8 Zn12 -","4","2","","Chen, Zhenxia; Yang, Haiyang; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","Metal complexes as templates: syntheses, structures, and luminescent properties of two zinc phosphonocarboxylates with ABW-zeolite topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4079","4083","10.1039/c2dt12060g","","","0.71073","MoKα","","0.0722","0.0456","","","0.1023","0.1215","","","","","","0.944","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018510","13.097","0.004","5.786","0.002","13.138","0.005","90","","98.005","0.004","90","","985.9","0.6","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C14 H8 Cl O11 P2 Zn4 -","- C14 H8 Cl O11 P2 Zn4 -","- C28 H16 Cl2 O22 P4 Zn8 -","2","1","","Chen, Zhenxia; Yang, Haiyang; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","Metal complexes as templates: syntheses, structures, and luminescent properties of two zinc phosphonocarboxylates with ABW-zeolite topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4079","4083","10.1039/c2dt12060g","","","0.71073","MoKα","","0.0394","0.0338","","","0.0747","0.0764","","","","","","0.999","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018511","10.7666","0.0015","16.462","0.002","17.912","0.003","90","","91.098","0.002","90","","3174.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O17 P2 Zn3 -","- C24 H30 N2 O17 P2 Zn3 -","- C96 H120 N8 O68 P8 Zn12 -","4","1","","Chen, Zhenxia; Yang, Haiyang; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","Metal complexes as templates: syntheses, structures, and luminescent properties of two zinc phosphonocarboxylates with ABW-zeolite topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4079","4083","10.1039/c2dt12060g","","","0.71073","MoKα","","0.0704","0.0443","","","0.111","0.1277","","","","","","1.075","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018512","12.3496","0.0002","22.14","0.0005","24.1563","0.0005","94.865","0.002","98.374","0.002","99.712","0.002","6400.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H64 N4 Na4 O10 -","- C64 H64 N4 Na4 O10 -","- C256 H256 N16 Na16 O40 -","4","2","","Lu, Wei-Yi; Hsiao, Mon-Wei; Hsu, Sodio C. N.; Peng, Wei-Te; Chang, Ya-Ju; Tsou, Yu-Chi; Wu, Ting-Yi; Lai, Yi-Chun; Chen, Yun; Chen, Hsuan-Ying","Synthesis, characterization and catalytic activity of lithium and sodium iminophenoxide complexes towards ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3659","3667","10.1039/c2dt12063a","","","0.71073","MoKα","","0.0776","0.0527","","","0.1781","0.1878","","","","","","1.018","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018513","25.6289","0.0002","25.6289","0.0002","25.6289","0.0002","90","","90","","90","","16834.1","0.2","110","2","110","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C14 H12 Li N O S -","- C14 H12 Li N O S -","- C672 H576 Li48 N48 O48 S48 -","48","1","","Lu, Wei-Yi; Hsiao, Mon-Wei; Hsu, Sodio C. N.; Peng, Wei-Te; Chang, Ya-Ju; Tsou, Yu-Chi; Wu, Ting-Yi; Lai, Yi-Chun; Chen, Yun; Chen, Hsuan-Ying","Synthesis, characterization and catalytic activity of lithium and sodium iminophenoxide complexes towards ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3659","3667","10.1039/c2dt12063a","","","0.71073","MoKα","","0.0936","0.0819","","","0.2554","0.2681","","","","","","1.175","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018514","8.69271","0.00016","16.5739","0.0003","19.3218","0.0004","84.789","0.0016","78.4421","0.0016","83.8493","0.0015","2704.7","0.09","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 Na2 O11.5 P -","- C21 H36 Na2 O11.5 P -","- C84 H144 Na8 O46 P4 -","4","2","","Richter, Mareike; Karschin, Arndt; Spingler, Bernhard; Kunz, Peter C.; Meyer-Zaika, Wolfgang; Kläui, Wolfgang","Stabilisation of water-soluble platinum nanoparticles by phosphonic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3407","3413","10.1039/c2dt12071b","","","0.7107","MoKα","","0.0772","0.0419","","","0.0941","0.102","","","","","","0.965","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7018515","20.4328","0.0003","8.63377","0.00013","12.2755","0.0002","90","","94.6314","0.0015","90","","2158.48","0.06","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Na2 O7 P2 -","- C16 H26 Na2 O7 P2 -","- C64 H104 Na8 O28 P8 -","4","1","","Richter, Mareike; Karschin, Arndt; Spingler, Bernhard; Kunz, Peter C.; Meyer-Zaika, Wolfgang; Kläui, Wolfgang","Stabilisation of water-soluble platinum nanoparticles by phosphonic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3407","3413","10.1039/c2dt12071b","","","0.7107","MoKα","","0.0549","0.0343","","","0.0842","0.0884","","","","","","1.003","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018516","18.3578","0.0018","8.7338","0.0007","12.039","0.0015","90","","92.306","0.01","90","","1928.7","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Na2 O8 P2 -","- C14 H21 Na2 O8 P2 -","- C56 H84 Na8 O32 P8 -","4","1","","Richter, Mareike; Karschin, Arndt; Spingler, Bernhard; Kunz, Peter C.; Meyer-Zaika, Wolfgang; Kläui, Wolfgang","Stabilisation of water-soluble platinum nanoparticles by phosphonic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3407","3413","10.1039/c2dt12071b","","","0.7107","MoKα","","0.1168","0.0704","","","0.1246","0.1381","","","","","","0.991","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018517","19.834","0.004","42.111","0.008","12.913","0.003","90","","118.69","0.03","90","","9461","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H27 O8 Zn2 -","- C45 H27 O8 Zn2 -","- C180 H108 O32 Zn8 -","4","0.5","","Hauptvogel, Ines Maria; Bon, Volodymyr; Grünker, Ronny; Baburin, Igor A.; Senkovska, Irena; Mueller, Uwe; Kaskel, Stefan","A family of 2D and 3D coordination polymers involving a trigonal tritopic linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4172","4179","10.1039/c2dt12072k","","","0.88561","synchrotron","","0.1311","0.0703","","","0.1866","0.2089","","","","","","0.845","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018518","24.127","0.005","41.811","0.008","20.186","0.004","90","","115.27","0.03","90","","18414","8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C90 H54 O15 Zn3 -","- C90 H54 O15 Zn3 -","- C360 H216 O60 Zn12 -","4","1","","Hauptvogel, Ines Maria; Bon, Volodymyr; Grünker, Ronny; Baburin, Igor A.; Senkovska, Irena; Mueller, Uwe; Kaskel, Stefan","A family of 2D and 3D coordination polymers involving a trigonal tritopic linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4172","4179","10.1039/c2dt12072k","","","0.88561","synchrotron","","0.071","0.0567","","","0.1484","0.1576","","","","","","0.912","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018519","24.057","0.003","24.057","0.003","26.996","0.005","90","","90","","120","","13530","3","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C51 H29 O10 S Zn2 -","- C51 H29 O10 S Zn2 -","- C306 H174 O60 S6 Zn12 -","6","0.5","","Hauptvogel, Ines Maria; Bon, Volodymyr; Grünker, Ronny; Baburin, Igor A.; Senkovska, Irena; Mueller, Uwe; Kaskel, Stefan","A family of 2D and 3D coordination polymers involving a trigonal tritopic linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4172","4179","10.1039/c2dt12072k","","","0.88561","","","0.0524","0.0428","","","0.1086","0.115","","","","","","1.061","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018520","23.934","0.005","41.86","0.008","45.532","0.009","90","","90.12","0.03","90","","45617","16","293","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C273 H195 N4 O52 Zn10 -","- C273 H195 N4 O52 Zn10 -","- C1092 H780 N16 O208 Zn40 -","4","0.5","","Hauptvogel, Ines Maria; Bon, Volodymyr; Grünker, Ronny; Baburin, Igor A.; Senkovska, Irena; Mueller, Uwe; Kaskel, Stefan","A family of 2D and 3D coordination polymers involving a trigonal tritopic linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4172","4179","10.1039/c2dt12072k","","","0.88561","synchrotron","","0.1066","0.0911","","","0.2671","0.284","","","","","","1.129","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018521","39.776","0.008","24.693","0.005","21.823","0.004","90","","117.94","0.03","90","","18936","8","293","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H49 Co2 N3 O12 -","- C55 H49 Co2 N3 O12 -","- C440 H392 Co16 N24 O96 -","8","1","","Hauptvogel, Ines Maria; Bon, Volodymyr; Grünker, Ronny; Baburin, Igor A.; Senkovska, Irena; Mueller, Uwe; Kaskel, Stefan","A family of 2D and 3D coordination polymers involving a trigonal tritopic linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4172","4179","10.1039/c2dt12072k","","","0.88561","synchrotron","","0.0787","0.0702","","","0.2145","0.2242","","","","","","1.086","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018522","10.3551","0.0009","27.263","0.002","11.1239","0.001","90","","112.78","0.002","90","","2895.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Br7 Cu5 N4 -","- C21 H17 Br7 Cu5 N4 -","- C84 H68 Br28 Cu20 N16 -","4","0.5","","Feng, Da-Qian; Zhou, Xiao-Ping; Zheng, Ji; Chen, Guang-Hui; Huang, Xiao-Chun; Li, Dan","In situ selective N-alkylation of pendant pyridyl functionality in mixed-valence copper complexes with methanol and copper(ii) bromide.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4255","4261","10.1039/c2dt12081j","","","0.71073","MoKα","","0.0757","0.0484","","","0.1214","0.1466","","","","","","1.048","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018523","9.3227","0.0008","8.3368","0.0008","35.52","0.003","90","","91.218","0.002","90","","2760","0.4","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br6 Cu4 N4 -","- C21 H17 Br6 Cu4 N4 -","- C84 H68 Br24 Cu16 N16 -","4","1","","Feng, Da-Qian; Zhou, Xiao-Ping; Zheng, Ji; Chen, Guang-Hui; Huang, Xiao-Chun; Li, Dan","In situ selective N-alkylation of pendant pyridyl functionality in mixed-valence copper complexes with methanol and copper(ii) bromide.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4255","4261","10.1039/c2dt12081j","","","0.71073","MoKα","","0.0729","0.0504","","","0.1283","0.1468","","","","","","1.078","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018524","9.724","0.002","11.04","0.003","12.238","0.003","71.211","0.004","83.308","0.004","65.455","0.004","1131.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Br4 Cu2 N4 -","- C21 H17 Br4 Cu2 N4 -","- C42 H34 Br8 Cu4 N8 -","2","1","","Feng, Da-Qian; Zhou, Xiao-Ping; Zheng, Ji; Chen, Guang-Hui; Huang, Xiao-Chun; Li, Dan","In situ selective N-alkylation of pendant pyridyl functionality in mixed-valence copper complexes with methanol and copper(ii) bromide.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4255","4261","10.1039/c2dt12081j","","","0.71073","MoKα","","0.0564","0.0395","","","0.0885","0.0964","","","","","","0.975","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018525","33.656","0.008","9.029","0.002","18.153","0.004","90","","90.725","0.004","90","","5516","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 Br11.36 Cu7.36 N8 -","- C42 H34 Br11.358 Cu7.358 N8 -","- C168 H136 Br45.432 Cu29.432 N32 -","4","0.5","","Feng, Da-Qian; Zhou, Xiao-Ping; Zheng, Ji; Chen, Guang-Hui; Huang, Xiao-Chun; Li, Dan","In situ selective N-alkylation of pendant pyridyl functionality in mixed-valence copper complexes with methanol and copper(ii) bromide.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4255","4261","10.1039/c2dt12081j","","","0.71073","MoKα","","0.0813","0.0546","","","0.1401","0.1596","","","","","","1.054","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018526","9.395","0.002","11.231","0.002","17.471","0.003","89.88","0.03","89.22","0.03","76.15","0.03","1789.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H56 Cl4 Cu2 N24 O21 -","- C59 H52 Cl4 Cu2 N24 O21 -","- C59 H52 Cl4 Cu2 N24 O21 -","1","0.5","","van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4566","4574","10.1039/c2dt12085b","","","0.71073","MoKα","","0.1417","0.0897","","","0.2022","0.2321","","","","","","1.031","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018527","15.967","0.003","11.923","0.002","17.5","0.003","90","","91.15","0.03","90","","3330.9","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Cl2 Cu N12 O11 -","- C28 H20 Cl2 Cu N12 O11 -","- C112 H80 Cl8 Cu4 N48 O44 -","4","0.5","","van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4566","4574","10.1039/c2dt12085b","","","0.71073","MoKα","","0.0603","0.0436","","","0.1033","0.1125","","","","","","1.069","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018528","9.22","0.003","10.761","0.003","17.745","0.005","94.01","0.03","92.85","0.03","104.02","0.03","1699.9","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H56 B4 Cu2 F16 N24 O5 -","- C58.98 H51.92 B4 Cu2 F16 N24 O4.98 -","- C58.98 H51.92 B4 Cu2 F16 N24 O4.98 -","1","0.5","","van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4566","4574","10.1039/c2dt12085b","","","0.71073","MoKα","","0.0733","0.0578","","","0.1478","0.1608","","","","","","1.067","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018529","14.537","0.002","14.537","0.002","20.195","0.003","90","","90","","90","","4267.7","1","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C56 H40 B6 Cu4 F24 N24 -","- C56 H40 B6 Cu4 F24 N24 -","- C112 H80 B12 Cu8 F48 N48 -","2","0.125","","van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4566","4574","10.1039/c2dt12085b","","","0.71073","MoKα","","0.0878","0.0771","","","0.2316","0.2427","","","","","","1.25","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018530","14.639","0.002","14.639","0.002","20.056","0.004","90","","90","","90","","4298","1.2","173","2","173","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- C29 H27.5 B3 Cu2 F12 N12 O6 -","- C29 H24 B3 Cu2 F12 N12 O6 -","- C116 H96 B12 Cu8 F48 N48 O24 -","4","0.25","","van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4566","4574","10.1039/c2dt12085b","","","0.71073","MoKα","","0.1121","0.0753","","","0.1542","0.1647","","","","","","2.477","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018531","22.055","0.004","9.121","0.002","20.513","0.004","90","","142.65","0.01","90","","2503.5","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Cl2 Cu2 N9 O8 -","- C21 H15 Cl2 Cu2 N9 O8 -","- C84 H60 Cl8 Cu8 N36 O32 -","4","0.5","","van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4566","4574","10.1039/c2dt12085b","","","0.71073","MoKα","","0.0907","0.0597","","","0.1488","0.171","","","","","","1.024","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018532","27.6567","0.0007","27.6567","0.0007","27.6567","0.0007","90","","90","","90","","21154.4","0.9","293","2","293","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C23 H14 N O4 Zn -","- C23 H14 N O4 Zn -","- C276 H168 N12 O48 Zn12 -","12","0.25","","Yao, Qingxia; Sun, Junliang; Li, Kuo; Su, Jie; Peskov, Maxim V.; Zou, Xiaodong","A series of isostructural mesoporous metal-organic frameworks obtained by ion-exchange induced single-crystal to single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3953","3955","10.1039/c2dt12088g","","","0.71073","MoKα","","0.1183","0.0983","","","0.2734","0.2972","","","","","","1.076","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018533","27.6523","0.0006","27.6523","0.0006","27.6523","0.0006","90","","90","","90","","21144.3","0.8","293","2","293","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C23 H14 Co N O4 -","- C23 H14 Co N O4 -","- C276 H168 Co12 N12 O48 -","12","0.25","","Yao, Qingxia; Sun, Junliang; Li, Kuo; Su, Jie; Peskov, Maxim V.; Zou, Xiaodong","A series of isostructural mesoporous metal-organic frameworks obtained by ion-exchange induced single-crystal to single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3953","3955","10.1039/c2dt12088g","","","0.71073","MoKα","","0.1171","0.0834","","","0.2195","0.2487","","","","","","1.064","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018534","27.449","0.0008","27.449","0.0008","27.449","0.0008","90","","90","","90","","20681.4","1","293","2","293","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C23 H14 Cu N O4 -","- C23 H14 Cu N O4 -","- C276 H168 Cu12 N12 O48 -","12","0.25","","Yao, Qingxia; Sun, Junliang; Li, Kuo; Su, Jie; Peskov, Maxim V.; Zou, Xiaodong","A series of isostructural mesoporous metal-organic frameworks obtained by ion-exchange induced single-crystal to single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3953","3955","10.1039/c2dt12088g","","","0.71073","MoKα","","0.1512","0.1234","","","0.3233","0.354","","","","","","1.099","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018535","27.689","0.0007","27.689","0.0007","27.689","0.0007","90","","90","","90","","21228.6","0.9","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C23 H14 Co0.35 N O4 Zn0.65 -","- C23 H14 Co0.35 N O4 Zn0.65 -","- C276 H168 Co4.2 N12 O48 Zn7.8 -","12","0.25","","Yao, Qingxia; Sun, Junliang; Li, Kuo; Su, Jie; Peskov, Maxim V.; Zou, Xiaodong","A series of isostructural mesoporous metal-organic frameworks obtained by ion-exchange induced single-crystal to single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3953","3955","10.1039/c2dt12088g","","","0.71073","MoKα","","0.1369","0.1075","","","0.2752","0.305","","","","","","1.097","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018536","27.6821","0.001","27.6821","0.001","27.6821","0.001","90","","90","","90","","21212.8","1.3","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C23 H14 N Ni0.38 O4 Zn0.62 -","- C23 H14 N Ni0.38 O4 Zn0.62 -","- C276 H168 N12 Ni4.56 O48 Zn7.44 -","12","0.25","","Yao, Qingxia; Sun, Junliang; Li, Kuo; Su, Jie; Peskov, Maxim V.; Zou, Xiaodong","A series of isostructural mesoporous metal-organic frameworks obtained by ion-exchange induced single-crystal to single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3953","3955","10.1039/c2dt12088g","","","0.71073","MoKα","","0.1116","0.0955","","","0.2725","0.2936","","","","","","1.103","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018537","11.1142","0.0008","11.1774","0.0009","13.0986","0.0008","81.434","0.003","84.669","0.004","78.433","0.002","1573","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 N7 P S2 Zn -","- C31 H32 N7 P S2 Zn -","- C62 H64 N14 P2 S4 Zn2 -","2","1","","Bocokić, Vladica; Lutz, Martin; Spek, Anthony L.; Reek, Joost N. H.","Bis-(thiosemicarbazonato) Zn(ii) complexes as building blocks for construction of supramolecular catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3740","3750","10.1039/c2dt12096h","","","0.71073","MoKα","","0.1219","0.0867","","","0.199","0.2191","","","","","","1.071","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018538","12.9582","0.0003","13.0266","0.0002","13.1409","0.0003","115.989","0.0008","93.8687","0.001","107.096","0.0009","1855.38","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 N7 P S2 Zn -","- C38 H40 N7 P S2 Zn -","- C76 H80 N14 P2 S4 Zn2 -","2","1","","Bocokić, Vladica; Lutz, Martin; Spek, Anthony L.; Reek, Joost N. H.","Bis-(thiosemicarbazonato) Zn(ii) complexes as building blocks for construction of supramolecular catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3740","3750","10.1039/c2dt12096h","","","0.71073","MoKα","","0.0758","0.0618","","","0.1526","0.1615","","","","","","1.037","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018539","9.389","0.001","10.603","0.001","6.9241","0.0009","90","","102.75","0.01","90","","672.31","0.13","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 N5 Rb -","- C4 N5 Rb -","- C16 N20 Rb4 -","4","1","","Sabaté, Carles Miró; Jeanneau, Erwann; Delalu, Henri","Metal salts of the 4,5-dicyano-2H-1,2,3-triazole anion ([C(4)N(5)](-)).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3817","3825","10.1039/c2dt12100j","","","0.7107","MoKα","","0.0344","0.03","","0.0755","0.0719","0.0755","","","","","","0.9547","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018540","9.243","0.001","15.828","0.002","6.4632","0.0009","90","","90.23","0.01","90","","945.5","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Mg N10 O8 -","- C8 H16 Mg N10 O8 -","- C16 H32 Mg2 N20 O16 -","2","0.5","","Sabaté, Carles Miró; Jeanneau, Erwann; Delalu, Henri","Metal salts of the 4,5-dicyano-2H-1,2,3-triazole anion ([C(4)N(5)](-)).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3817","3825","10.1039/c2dt12100j","","","0.7107","MoKα","","0.1062","0.0978","","0.1754","0.1733","0.1754","","","","","","1.0536","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018541","6.9498","0.0005","17.769","0.001","13.8575","0.0009","90","","92.982","0.006","90","","1708.96","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N16 O16 Sr2 -","- C16 H20 N16 O16 Sr2 -","- C32 H40 N32 O32 Sr4 -","2","0.5","","Sabaté, Carles Miró; Jeanneau, Erwann; Delalu, Henri","Metal salts of the 4,5-dicyano-2H-1,2,3-triazole anion ([C(4)N(5)](-)).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3817","3825","10.1039/c2dt12100j","","","0.7107","MoKα","","0.0707","0.0572","","0.1362","0.1212","0.1362","","","","","","0.9544","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018542","8.5545","0.0005","13.502","0.0008","23.1132","0.0014","90","","93.108","0.001","90","","2665.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl2 N2 Zr -","- C27 H36 Cl2 N2 Zr -","- C108 H144 Cl8 N8 Zr4 -","4","1","","Liu, Kefeng; Wu, Qiaolin; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis, characterization, and catalytic properties of new half-sandwich zirconium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3461","3467","10.1039/c2dt12105k","","","0.71073","MoKα","","0.0413","0.0325","","","0.0737","0.0782","","","","","","1.03","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018543","20.13","0.02","8.833","0.01","19.65","0.02","90","","116.601","0.015","90","","3124","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Cl2 N2 Zr -","- C31 H44 Cl2 N2 Zr -","- C124 H176 Cl8 N8 Zr4 -","4","1","","Liu, Kefeng; Wu, Qiaolin; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis, characterization, and catalytic properties of new half-sandwich zirconium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3461","3467","10.1039/c2dt12105k","","","0.71073","MoKα","","0.1605","0.1051","","","0.2428","0.2709","","","","","","1.131","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018544","10.259","0.0006","14.6848","0.0008","16.2009","0.0009","90","","100.501","0.001","90","","2399.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl2 N2 Zr -","- C22 H34 Cl2 N2 Zr -","- C88 H136 Cl8 N8 Zr4 -","4","1","","Liu, Kefeng; Wu, Qiaolin; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis, characterization, and catalytic properties of new half-sandwich zirconium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3461","3467","10.1039/c2dt12105k","","","0.71073","MoKα","","0.0432","0.032","","","0.073","0.0775","","","","","","1.048","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018545","8.0251","0.0006","11.4954","0.0008","13.8983","0.001","105.015","0.001","94.082","0.001","98.191","0.001","1217.87","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H36 Cl2 N2 Zr -","- C23 H36 Cl2 N2 Zr -","- C46 H72 Cl4 N4 Zr2 -","2","1","","Liu, Kefeng; Wu, Qiaolin; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis, characterization, and catalytic properties of new half-sandwich zirconium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3461","3467","10.1039/c2dt12105k","","","0.71073","MoKα","","0.0286","0.026","","","0.0658","0.0675","","","","","","1.037","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018546","12.8971","0.0017","16.631","0.002","10.9986","0.0016","90","","90","","90","","2359.1","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H24 Cl Ir N4 O4 -","- C24 H24 Cl Ir N4 O4 -","- C96 H96 Cl4 Ir4 N16 O16 -","4","1","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0518","0.0256","","","0.0509","0.0589","","","","","","0.894","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018547","7.9909","0.0006","10.6437","0.0008","14.8207","0.0015","78.458","0.003","81.685","0.004","80.293","0.003","1209.32","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 F6 Ir N4 P -","- C24 H24 F6 Ir N4 P -","- C48 H48 F12 Ir2 N8 P2 -","2","1","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.048","0.0439","","","0.1111","0.1142","","","","","","1.101","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018548","21.494","0.005","21.494","0.005","10.38","0.005","90","","90","","120","","4153","2","298","2","298","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C26 H28 F6 Ir N4 O0.67 P -","- C25.9867 H24 F6 Ir N4 O0.666667 P -","- C155.92 H144 F36 Ir6 N24 O4 P6 -","6","0.5","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0514","0.0321","","","0.0594","0.0662","","","","","","1.014","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018549","29.092","0.007","29.092","0.007","15.193","0.004","90","","90","","120","","11136","5","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C24 H30 Cl Ir N4 O3 -","- C24 H24 Cl Ir N4 O3 -","- C432 H432 Cl18 Ir18 N72 O54 -","18","1","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0198","0.0174","","","0.0443","0.0609","","","","","","1.203","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018550","13.534","0.003","22.985","0.003","10.2524","0.0014","90","","109.164","0.008","90","","3012.6","0.9","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 Cl Ir N4 -","- C24 H24 Cl Ir N4 -","- C96 H96 Cl4 Ir4 N16 -","4","1","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0201","0.0182","","","0.047","0.0474","","","","","","1.078","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018551","10.212","0.005","26.279","0.011","14.334","0.006","90","","95.113","0.011","90","","3831","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 B Ir N4 -","- C48 H44 B Ir N4 -","- C192 H176 B4 Ir4 N16 -","4","0.5","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0281","0.0236","","","0.0588","0.0624","","","","","","1.08","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018552","11.1402","0.0004","15.4794","0.0005","15.6244","0.0006","98.249","0.003","110.516","0.002","91.383","0.002","2489.27","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H60 Ag F3 N4 O3 S -","- C53 H60 Ag F3 N4 O3 S -","- C106 H120 Ag2 F6 N8 O6 S2 -","2","1","","Jurca, Titel; Ouanounou, Sarah; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","The interplay of metal and supporting ligand in labile coordination to pincer complexes of Ag(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4765","4771","10.1039/c2dt12112c","","","0.71073","MoKα","","0.0824","0.0407","","","0.0822","0.0942","","","","","","1.026","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018553","14.3389","0.0016","18.947","0.002","18.189","0.002","90","","98.286","0.005","90","","4890","0.9","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50.4 H54.1 Ag F3 N4 O3 S -","- C50.4 H54.1 Ag F3 N4 O3 S -","- C201.6 H216.4 Ag4 F12 N16 O12 S4 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","The interplay of metal and supporting ligand in labile coordination to pincer complexes of Ag(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4765","4771","10.1039/c2dt12112c","","","0.71073","MoKα","","0.0483","0.0403","","","0.1109","0.1183","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018554","31.0722","0.0011","9.7664","0.0004","19.8728","0.0007","90","","90","","90","","6030.7","0.4","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H76 Ag F3 N3 O3 S -","- C60 H76 Ag F3 N3 O3 S -","- C240 H304 Ag4 F12 N12 O12 S4 -","4","1","","Jurca, Titel; Ouanounou, Sarah; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","The interplay of metal and supporting ligand in labile coordination to pincer complexes of Ag(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4765","4771","10.1039/c2dt12112c","","","0.71073","MoKα","","0.0538","0.0452","","","0.1207","0.1277","","","","","","1.024","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018555","32.106","0.003","20.658","0.002","19.954","0.002","90","","118.949","0.005","90","","11581","2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 Ag F3 N3 O3 S -","- C54 H64 Ag F3 N3 O3 S -","- C432 H512 Ag8 F24 N24 O24 S8 -","8","1","","Jurca, Titel; Ouanounou, Sarah; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","The interplay of metal and supporting ligand in labile coordination to pincer complexes of Ag(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4765","4771","10.1039/c2dt12112c","","","0.71073","MoKα","","0.0722","0.0474","","","0.1396","0.16","","","","","","1.036","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018556","12.067","0.0002","12.631","0.0002","14.378","0.0003","87.509","0.001","82.407","0.001","79.667","0.001","2136.59","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H39 Fe N6 O6 -","- C49.5 H35 Fe N6 O6 -","- C99 H70 Fe2 N12 O12 -","2","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.0758","0.0448","","","0.1096","0.1214","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018557","10.207","0.0002","15.057","0.0002","33.318","0.0005","92.341","0.001","90.772","0.001","96.535","0.001","5082.17","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H31 Al Cl12 N6 O6 -","- C43 H31 Al Cl12 N6 O6 -","- C172 H124 Al4 Cl48 N24 O24 -","4","2","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.1322","0.0962","","","0.2327","0.254","","","","","","1.05","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018558","14.563","0.0004","11.473","0.0003","16.377","0.0006","90","","100.289","0.001","90","","2692.29","0.14","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H24 Cu N4 O5 S -","- C28 H24 Cu N4 O5 S -","- C112 H96 Cu4 N16 O20 S4 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.1238","0.0592","","","0.1487","0.1697","","","","","","0.998","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018559","9.082","0.0016","9.9551","0.0017","13.093","0.002","90","","109.136","0.003","90","","1118.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N2 O2 Zn0.5 -","- C13 H7 N2 O2 Zn0.5 -","- C52 H28 N8 O8 Zn2 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.846","Synchrotron","","0.0598","0.0453","","","0.1116","0.1208","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018560","9.817","0.0003","12.891","0.0004","13.831","0.0006","87.802","0.001","79.328","0.001","79.802","0.002","1692.85","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl Eu N4 O10.5 -","- C30 H36 Cl Eu N4 O10.5 -","- C60 H72 Cl2 Eu2 N8 O21 -","2","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.0602","0.0477","","","0.1159","0.122","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018561","9.747","0.0002","12.712","0.0002","31.126","0.0005","90","","90","","90","","3856.63","0.12","150","2","150","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C39 H33 La N6 O9 -","- C39 H27 La N6 O9 -","- C156 H108 La4 N24 O36 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.0962","0.0485","","","0.0848","0.0998","","","","","","1.035","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018562","23.5252","0.0004","23.5252","0.0004","17.8727","0.0007","90","","90","","120","","8566.2","0.4","150","2","150","2","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C43 H43 Ag B F4 Fe N6 O10 S2 -","- C43 H39 Ag B F4 Fe N6 O10 S2 -","- C258 H234 Ag6 B6 F24 Fe6 N36 O60 S12 -","6","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.6907","Synchrotron","","0.0569","0.0495","","","0.1452","0.1502","","","","","","1.067","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018563","13.378","0.002","23.544","0.003","18.052","0.003","90","","102.387","0.002","90","","5553.5","1.4","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C45.56 H56.28 Ag F6 Fe N6 O9.28 P S3.28 -","- C45.56 H56.28 Ag F6 Fe N6 O9.28 P S3.28 -","- C182.24 H225.12 Ag4 F24 Fe4 N24 O37.12 P4 S13.12 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.7848","Synchrotron","","0.0768","0.0619","","","0.1531","0.1591","","","","","","1.11","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018564","12.085","0.0001","24.282","0.0002","18.119","0.0002","90","","94.126","0.001","90","","5303.2","0.09","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H35.5 Ag F6 Fe N6 O7.25 S1.25 Sb -","- C41 H33 Ag F6 Fe N6 O7 S Sb -","- C164 H132 Ag4 F24 Fe4 N24 O28 S4 Sb4 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.1035","0.0873","","","0.2414","0.2544","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018565","11.714","0.0003","14.093","0.0005","15.589","0.0006","100.969","0.002","109.712","0.002","103.542","0.002","2251.12","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Ag2 Cl2 Fe N9 O12 -","- C42 H32 Ag2 Cl2 Fe N9 O12 -","- C84 H64 Ag4 Cl4 Fe2 N18 O24 -","2","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.1329","0.1066","","","0.2402","0.2594","","","","","","1.116","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018566","11.789","0.002","13.259","0.003","16.79","0.003","102.365","0.002","91.136","0.002","104.49","0.002","2474.5","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C46.75 H32 Ag2 Cl0.5 F6 Fe N8 O10 -","- C46.75 H32 Ag2 Cl0.5 F6 Fe N8 O10 -","- C93.5 H64 Ag4 Cl F12 Fe2 N16 O20 -","2","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.6907","Synchrotron","","0.1045","0.0671","","","0.1682","0.1827","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018567","6.6996","0.0005","16.5546","0.0008","11.5646","0.0011","90","","106.31","0.008","90","","1231","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N4 O5 -","- C11 H14 N4 O5 -","- C44 H56 N16 O20 -","4","1","","Kundu, Tanaya; Chowdhury, Abhishek Dutta; De, Dipanwita; Mobin, Shaikh M.; Puranik, Vedavati G.; Datta, Anindya; Lahiri, Goutam Kumar","Selective recognition of fluoride and acetate by a newly designed ruthenium framework: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4484","4496","10.1039/c2dt12126c","","","0.71073","MoKα","","0.061","0.0344","","","0.0619","0.0656","","","","","","0.83","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018568","19.8792","0.0007","20.3466","0.0005","18.3949","0.0006","90","","117.034","0.004","90","","6627.3","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","rutheniumcomplexes","","","- C31 H27 Cl N8 O8 Ru -","- C31 H23 Cl N8 O8 Ru -","- C248 H184 Cl8 N64 O64 Ru8 -","8","1","","Kundu, Tanaya; Chowdhury, Abhishek Dutta; De, Dipanwita; Mobin, Shaikh M.; Puranik, Vedavati G.; Datta, Anindya; Lahiri, Goutam Kumar","Selective recognition of fluoride and acetate by a newly designed ruthenium framework: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4484","4496","10.1039/c2dt12126c","","","0.71073","MoKα","","0.1019","0.054","","","0.1381","0.153","","","","","","0.876","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018569","11.7216","0.0003","22.8856","0.0007","12.4104","0.0004","90","","94.881","0.003","90","","3317.09","0.17","","","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H29.5 N10.5 O2 Ru -","- C36 H29.5 N10.5 O2 Ru -","- C144 H118 N42 O8 Ru4 -","4","2","","Kundu, Tanaya; Chowdhury, Abhishek Dutta; De, Dipanwita; Mobin, Shaikh M.; Puranik, Vedavati G.; Datta, Anindya; Lahiri, Goutam Kumar","Selective recognition of fluoride and acetate by a newly designed ruthenium framework: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4484","4496","10.1039/c2dt12126c","","","0.71073","MoKα","","0.0428","0.035","","","0.0878","0.0896","","","","","","1.013","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018570","26.0951","0.0028","26.0951","","6.8945","0.0011","90","","90","","120","","4065.8","0.8","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D1.33 Fe O3 -","- C4 H D1.33 Fe O3 -","- C72 H18 D23.94 Fe18 O54 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018571","26.1021","0.0028","26.1021","","6.9107","0.0012","90","","90","","120","","4077.6","0.8","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D4.32 Fe O3 -","- C4 H D4.32 Fe O3 -","- C72 H18 D77.76 Fe18 O54 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018572","25.9689","0.0015","25.9689","","6.8209","0.0009","90","","90","","120","","3983.6","0.6","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D0.53 Fe O4.05 -","- C4 H D0.53 Fe O4.06 -","- C72 H18 D9.54 Fe18 O73.08 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018573","25.9612","0.0014","25.9612","","6.8377","0.0007","90","","90","","120","","3991.1","0.5","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D1.27 Fe O4.07 -","- C4 H D1.27 Fe O4.08 -","- C72 H18 D22.86 Fe18 O73.44 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018574","25.9572","0.0014","25.9572","","6.843","0.0008","90","","90","","120","","3992.9","0.5","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D2.33 Fe O3.91 -","- C4 H D2.33 Fe O3.9 -","- C72 H18 D41.94 Fe18 O70.2 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018575","25.9538","0.0015","25.9538","","6.8539","0.0009","90","","90","","120","","3998.3","0.6","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D4.12 Fe O3.88 -","- C4 H D4.11 Fe O3.88 -","- C72 H18 D73.98 Fe18 O69.84 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018576","12.497","0.003","7.7247","0.0015","17.883","0.004","90","","103.55","0.03","90","","1678.3","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cu2 N14 O8 -","- C28 H30 Cu2 N14 O8 -","- C56 H60 Cu4 N28 O16 -","2","0.5","","Miao, Li-Li; Li, Hong-Xi; Yu, Miao; Zhao, Wei; Gong, Wei-Jie; Gao, Jun; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Preparation of a nitrate-coordinated copper(ii) complex of 2-(pyrazol-3-yl)-6-(pyrazolate)pyridine as an efficient catalyst for methyl methacrylate polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3424","3430","10.1039/c2dt12145j","","","0.71073","MoKα","","0.0995","0.0724","","","0.1465","0.1605","","","","","","1.156","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018577","10.561","0.0005","14.9935","0.0007","13.4829","0.0006","90","","101.28","0.004","90","","2093.73","0.17","298","2","298","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","μ-[2,8-dimethyl-5,11-bis(pyridin-2-ylethyl)-1,4,5,6,7,10,11,12- octahydroimidazo[4,5-h]imidazo[4,5-c]-[1,6]-diazecine] bis [diacuacopper(II)] perchlorate dihydrate","","- C26 H44 Cl4 Cu2 N8 O22 -","- C26 H44 Cl4 Cu2 N8 O22 -","- C52 H88 Cl8 Cu4 N16 O44 -","2","0.5","","Mendoza-Quijano, María Rosa; Ferrer-Sueta, Gerardo; Flores-Álamo, Marcos; Aliaga-Alcalde, Núria; Gómez-Vidales, Virginia; Ugalde-Saldívar, Víctor M; Gasque, Laura","Mechanistic insight on the catecholase activity of dinuclear copper complexes with distant metal centers.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4985","4997","10.1039/c2dt12155g","","x-ray","1.5418","CuKα","","0.0527","0.0439","","","0.1109","0.1163","","","","","","1.062","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018578","11.5004","0.0006","8.3851","0.0004","11.6141","0.0007","90","","96.489","0.005","90","","1112.8","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H32 Br2 N2 Si Zn -","- C18 H32 Br2 N2 Si Zn -","- C36 H64 Br4 N4 Si2 Zn2 -","2","1","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.0269","0.0243","","","0.055","0.0553","","","","","","1.027","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018579","12.3467","0.0006","11.0348","0.0006","19.5297","0.0014","90","","106.652","0.007","90","","2549.2","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Br2 N2 Si Zn -","- C23 H34 Br2 N2 Si Zn -","- C92 H136 Br8 N8 Si4 Zn4 -","4","2","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.0649","0.0432","","","0.0674","0.0691","","","","","","1.006","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018580","12.2947","0.0004","16.4427","0.0005","19.7658","0.0006","90","","90","","90","","3995.8","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 Br2 N2 O Si2 Zn -","- C39 H52 Br2 N2 O Si2 Zn -","- C156 H208 Br8 N8 O4 Si8 Zn4 -","4","1","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.0351","0.0255","","","0.0392","0.0397","","","","","","1.016","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018581","11.3678","0.0013","8.2162","0.0009","11.6616","0.0017","90","","95.005","0.013","90","","1085","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H32 Cl2 N2 Si Zn -","- C18 H32 Cl2 N2 Si Zn -","- C36 H64 Cl4 N4 Si2 Zn2 -","2","1","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.1327","0.0709","","","0.1271","0.1384","","","","","","1.004","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018582","11.7147","0.0011","8.4569","0.0008","12.6064","0.0012","90","","90.317","0.008","90","","1248.9","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl2 N2 Si Zn -","- C23 H34 Cl2 N2 Si Zn -","- C46 H68 Cl4 N4 Si2 Zn2 -","2","1","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.0465","0.0293","","","0.0345","0.0355","","","","","","0.829","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018583","11.5227","0.0015","19.681","0.003","20.917","0.003","90","","90","","90","","4743.5","1.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H66 Eu N4 O -","- C50 H66 Eu N4 O -","- C200 H264 Eu4 N16 O4 -","4","1","","Shen, Xiaodong; Zhang, Yong; Xue, Mingqiang; Shen, Qi","Reduction of Sterically Hindered β-Diketiminato Europium(iii) Complexes by the β-Diketiminato Anion: A Convenient Route for the Synthesis of β-Diketiminato Europium(ii) Complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3668","3674","10.1039/c2dt12176j","","","0.71075","MoKα","","0.0468","0.0416","","","0.0719","0.0751","","","","","","1.033","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018584","12.4327","0.0008","19.2691","0.0012","24.748","0.0016","90","","90","","90","","5928.8","0.7","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C65 H90 Eu N4 -","- C65 H82 Eu N4 -","- C260 H328 Eu4 N16 -","4","1","","Shen, Xiaodong; Zhang, Yong; Xue, Mingqiang; Shen, Qi","Reduction of Sterically Hindered β-Diketiminato Europium(iii) Complexes by the β-Diketiminato Anion: A Convenient Route for the Synthesis of β-Diketiminato Europium(ii) Complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3668","3674","10.1039/c2dt12176j","","","0.71075","MoKα","","0.0508","0.0468","","","0.0888","0.0927","","","","","","1.096","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018585","8.566","0.004","9.953","0.005","15.152","0.006","100.318","0.009","90.767","0.008","113.822","0.016","1157.4","0.9","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H72 N4 -","- C52 H58 N4 -","- C52 H58 N4 -","1","0.5","","Shen, Xiaodong; Zhang, Yong; Xue, Mingqiang; Shen, Qi","Reduction of Sterically Hindered β-Diketiminato Europium(iii) Complexes by the β-Diketiminato Anion: A Convenient Route for the Synthesis of β-Diketiminato Europium(ii) Complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3668","3674","10.1039/c2dt12176j","","","0.71075","MoKα","","0.2176","0.1067","","","0.2291","0.2896","","","","","","1.063","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018586","9.3421","0.001","11.6601","0.0014","13.6945","0.0017","98.348","0.004","97.568","0.004","92.448","0.003","1460.2","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H96 N4 -","- C64 H82 N4 -","- C64 H82 N4 -","1","0.5","","Shen, Xiaodong; Zhang, Yong; Xue, Mingqiang; Shen, Qi","Reduction of Sterically Hindered β-Diketiminato Europium(iii) Complexes by the β-Diketiminato Anion: A Convenient Route for the Synthesis of β-Diketiminato Europium(ii) Complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3668","3674","10.1039/c2dt12176j","","","0.71075","MoKα","","0.0866","0.0645","","","0.1784","0.1928","","","","","","1.059","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018587","10.9466","0.0015","11.5259","0.0016","19.195","0.002","101.515","0.002","96.956","0.002","115.923","0.002","2073.8","0.5","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H58 Eu N4 -","- C46 H58 Eu N4 -","- C92 H116 Eu2 N8 -","2","1","","Shen, Xiaodong; Zhang, Yong; Xue, Mingqiang; Shen, Qi","Reduction of Sterically Hindered β-Diketiminato Europium(iii) Complexes by the β-Diketiminato Anion: A Convenient Route for the Synthesis of β-Diketiminato Europium(ii) Complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3668","3674","10.1039/c2dt12176j","","","0.71075","MoKα","","0.09","0.0726","","","0.1358","0.1458","","","","","","1.121","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018588","9.65","0.004","11.038","0.005","11.101","0.005","112.159","0.007","97.821","0.007","102.366","0.005","1038.5","0.8","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C46 H60 N4 -","2","1","","Shen, Xiaodong; Zhang, Yong; Xue, Mingqiang; Shen, Qi","Reduction of Sterically Hindered β-Diketiminato Europium(iii) Complexes by the β-Diketiminato Anion: A Convenient Route for the Synthesis of β-Diketiminato Europium(ii) Complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3668","3674","10.1039/c2dt12176j","","","0.71075","MoKα","","0.1112","0.0865","","","0.269","0.2951","","","","","","1.169","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018589","12.885","0.003","16.966","0.003","7.1856","0.0014","90","","105.33","0.03","90","","1514.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N8 Ni O4 -","- C12 H8 Cu N8 Ni O4 -","- C48 H32 Cu4 N32 Ni4 O16 -","4","1","","Zhao, Jiong-Peng; Zhao, Ran; Yang, Qian; Song, Wei-Chao; Hu, Bo-Wen; Zhang, Xiao-Feng; Bu, Xian-He","One pot synthesis of heterometallic 3d-3d azido architectures: assembling strategy and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4852","4858","10.1039/c2dt12183b","","","0.71073","MoKα","","0.0486","0.0374","","","0.0636","0.0662","","","","","","1.157","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018590","12.794","0.003","16.937","0.003","7.1307","0.0014","90","","105.25","0.03","90","","1490.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Co Cu N8 O4 -","- C12 H8 Co Cu N8 O4 -","- C48 H32 Co4 Cu4 N32 O16 -","4","1","","Zhao, Jiong-Peng; Zhao, Ran; Yang, Qian; Song, Wei-Chao; Hu, Bo-Wen; Zhang, Xiao-Feng; Bu, Xian-He","One pot synthesis of heterometallic 3d-3d azido architectures: assembling strategy and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4852","4858","10.1039/c2dt12183b","","","0.71073","MoKα","","0.1334","0.0804","","","0.1438","0.1643","","","","","","1.099","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018591","30.853","0.007","11.326","0.002","31.285","0.007","90","","116.611","0.003","90","","9774","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H144 Fe4 N12 S12 -","- C80 H144 Fe4 N12 S12 -","- C320 H576 Fe16 N48 S48 -","4","1","","Begum, Ameerunisha; Moula, Golam; Bose, Moumita; Sarkar, Sabyasachi","Super reduced Fe(4)S(4) cluster of Balch's dithiolene series.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3536","3540","10.1039/c2dt12184k","","","0.71073","MoKα","","0.2802","0.1046","","","0.2272","0.3237","","","","","","1.038","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018592","15.1661","0.001","17.9439","0.0012","26.005","0.0018","90","","90","","90","","7077","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H26 Cl2 N4 O6 Pd2 S2 -","- C37 H26 Cl2 N4 O6 Pd2 S2 -","- C296 H208 Cl16 N32 O48 Pd16 S16 -","8","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Kapdi, Anant R.; Naik, Minal; Pednekar, Suhas; Pérez, José; García, Luis; Pérez, Eduardo; Serrano, J. Luis","Novel saccharinate-bridged palladium complexes for efficient C-O bond activation displaying promising luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3832","3842","10.1039/c2dt12187e","","","0.71073","MoKα","","0.051","0.0488","","","0.0897","0.0908","","","","","","1.417","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018593","30.576","0.003","8.0645","0.0008","16.6896","0.0017","90","","97.634","0.002","90","","4078.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N3 O3 Pd S -","- C23 H17 N3 O3 Pd S -","- C184 H136 N24 O24 Pd8 S8 -","8","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Kapdi, Anant R.; Naik, Minal; Pednekar, Suhas; Pérez, José; García, Luis; Pérez, Eduardo; Serrano, J. Luis","Novel saccharinate-bridged palladium complexes for efficient C-O bond activation displaying promising luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3832","3842","10.1039/c2dt12187e","","","0.71073","MoKα","","0.0811","0.0745","","","0.1704","0.1836","","","","","","1.37","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018594","8.474","0.003","19.208","0.007","14.671","0.005","90","","94.607","0.006","90","","2380.3","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl2 N3 O3 Pd S -","- C26 H19 Cl2 N3 O3 Pd S -","- C104 H76 Cl8 N12 O12 Pd4 S4 -","4","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Kapdi, Anant R.; Naik, Minal; Pednekar, Suhas; Pérez, José; García, Luis; Pérez, Eduardo; Serrano, J. Luis","Novel saccharinate-bridged palladium complexes for efficient C-O bond activation displaying promising luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3832","3842","10.1039/c2dt12187e","","","0.71073","MoKα","","0.0802","0.077","","","0.1753","0.178","","","","","","1.122","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018595","17.8237","0.0015","15.3342","0.0014","19.2414","0.0016","90","","113.367","0.003","90","","4827.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H49 Cl4 Co2 N7 O4 -","- C48 H49 Cl4 Co2 N7 O4 -","- C192 H196 Cl16 Co8 N28 O16 -","4","1","","Moyses Araujo, C.; Doherty, Mark D.; Konezny, Steven J.; Luca, Oana R.; Usyatinsky, Alex; Grade, Hans; Lobkovsky, Emil; Soloveichik, Grigorii L.; Crabtree, Robert H.; Batista, Victor S.","Tuning redox potentials of bis(imino)pyridine cobalt complexes: an experimental and theoretical study involving solvent and ligand effects.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3562","3573","10.1039/c2dt12195f","","","0.71073","MoKα","","0.0772","0.048","","","0.1263","0.1372","","","","","","1.094","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018596","12.3191","0.0004","15.1565","0.0005","14.1316","0.0005","90","","107.028","0.001","90","","2522.9","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl2 Co N5 -","- C25 H29 Cl2 Co N5 -","- C100 H116 Cl8 Co4 N20 -","4","1","","Moyses Araujo, C.; Doherty, Mark D.; Konezny, Steven J.; Luca, Oana R.; Usyatinsky, Alex; Grade, Hans; Lobkovsky, Emil; Soloveichik, Grigorii L.; Crabtree, Robert H.; Batista, Victor S.","Tuning redox potentials of bis(imino)pyridine cobalt complexes: an experimental and theoretical study involving solvent and ligand effects.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3562","3573","10.1039/c2dt12195f","","","0.71073","MoKα","","0.0588","0.0375","","","0.0967","0.1094","","","","","","1.003","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018597","13.7139","0.0011","14.3392","0.0014","21.34","0.002","81.776","0.011","75.209","0.01","62.649","0.01","3602.2","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","Sodium-dimolybdenum(II)-penta(trifluormethanesulfonate)- trifluormethanesulfonic acid","","","- C7 H0 F21 Mo2 Na O21 S7 -","- C7 H0.5 F21 Mo2 Na O21 S7 -","- C28 H2 F84 Mo8 Na4 O84 S28 -","4","2","","Neuschulz, Kai; Penning, Miriam; Groß, Lynn; Klüner, Thorsten; Wickleder, Mathias S.","Opening the paddlewheel: unusual coordination of [Mo(2)] dumbbells in the chain structures of A[Mo(2)(CF(3)SO(3))(5)]·2CF(3)SO(3)H (A = Na, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4685","4691","10.1039/c2dt12196d","","x-ray","0.71073","MoKα","","0.103","0.0587","","","0.1421","0.1545","","","","","","0.982","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018598","11.561","0.0014","14.8174","0.0013","11.6201","0.0014","90","","112.376","0.013","90","","1840.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Rubidium-dimolybdenum(II)-penta(trifluormethanesulfonate)- trifluormethanesulfonic acid","","","- C7 H F21 Mo2 O21 Rb S7 -","- C7 H2 F21 Mo2 O21 Rb S7 -","- C14 H4 F42 Mo4 O42 Rb2 S14 -","2","0.5","","Neuschulz, Kai; Penning, Miriam; Groß, Lynn; Klüner, Thorsten; Wickleder, Mathias S.","Opening the paddlewheel: unusual coordination of [Mo(2)] dumbbells in the chain structures of A[Mo(2)(CF(3)SO(3))(5)]·2CF(3)SO(3)H (A = Na, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4685","4691","10.1039/c2dt12196d","","x-ray","0.71073","MoKα","","0.1075","0.035","","","0.0496","0.0572","","","","","","0.594","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018599","11.584","0.0012","14.9472","0.0008","11.7437","0.0013","90","","113.476","0.012","90","","1865.1","0.3","153","2","153","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Cesium-dimolybdenum(II)-penta(trifluormethanesulfonate)- trifluormethanesulfonic acid","","","- C7 H2 Cs F21 Mo2 O21 S7 -","- C7 H2 Cs F21 Mo2 O21 S7 -","- C14 H4 Cs2 F42 Mo4 O42 S14 -","2","0.5","","Neuschulz, Kai; Penning, Miriam; Groß, Lynn; Klüner, Thorsten; Wickleder, Mathias S.","Opening the paddlewheel: unusual coordination of [Mo(2)] dumbbells in the chain structures of A[Mo(2)(CF(3)SO(3))(5)]·2CF(3)SO(3)H (A = Na, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4685","4691","10.1039/c2dt12196d","","x-ray","0.71073","MoKα","","0.0596","0.0268","","","0.0485","0.0525","","","","","","0.728","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018600","18.743","0.007","18.235","0.007","20.793","0.007","90","","102.52","0.007","90","","6938","4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H144 N10 O94 P2 W22 Y2 -","- C42 H120 N10 O94 P2 W22 Y2 -","- C84 H240 N20 O188 P4 W44 Y4 -","2","0.5","","Zhang, Shaowei; Wang, Yuan; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two types of oxalate-bridging rare-earth-substituted Keggin-type phosphotungstates {[(α-PW(11)O(39))RE(H(2)O)](2)(C(2)O(4))}(10-) and {(α-x-PW(10)O(38))RE(2)(C(2)O(4))(H(2)O)(2)}(3-).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3764","3772","10.1039/c2dt12202b","","","0.71073","MoKα","","0.1194","0.0574","","","0.1196","0.1517","","","","","","1.005","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018601","18.635","0.005","18.182","0.005","20.635","0.005","90","","102.916","0.005","90","","6815","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H144 Dy2 N10 O94 P2 W22 -","- C42 H120 Dy2 N10 O94 P2 W22 -","- C84 H240 Dy4 N20 O188 P4 W44 -","2","0.5","","Zhang, Shaowei; Wang, Yuan; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two types of oxalate-bridging rare-earth-substituted Keggin-type phosphotungstates {[(α-PW(11)O(39))RE(H(2)O)](2)(C(2)O(4))}(10-) and {(α-x-PW(10)O(38))RE(2)(C(2)O(4))(H(2)O)(2)}(3-).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3764","3772","10.1039/c2dt12202b","","","0.71073","MoKα","","0.0798","0.0449","","","0.0968","0.1116","","","","","","1.024","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018602","18.606","0.016","18.184","0.016","20.56","0.02","90","","102.789","0.018","90","","6784","11","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H144 Ho2 N10 O94 P2 W22 -","- C42 H120 Ho2 N10 O94 P2 W22 -","- C84 H240 Ho4 N20 O188 P4 W44 -","2","0.5","","Zhang, Shaowei; Wang, Yuan; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two types of oxalate-bridging rare-earth-substituted Keggin-type phosphotungstates {[(α-PW(11)O(39))RE(H(2)O)](2)(C(2)O(4))}(10-) and {(α-x-PW(10)O(38))RE(2)(C(2)O(4))(H(2)O)(2)}(3-).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3764","3772","10.1039/c2dt12202b","","","0.71073","MoKα","","0.0973","0.0546","","","0.1209","0.1485","","","","","","1.029","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018603","18.826","0.004","18.309","0.004","20.752","0.004","90","","102.58","0.03","90","","6981","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H144 Er2 N10 O94 P2 W22 -","- C42 H120 Er2 N10 O94 P2 W22 -","- C84 H240 Er4 N20 O188 P4 W44 -","2","0.5","","Zhang, Shaowei; Wang, Yuan; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two types of oxalate-bridging rare-earth-substituted Keggin-type phosphotungstates {[(α-PW(11)O(39))RE(H(2)O)](2)(C(2)O(4))}(10-) and {(α-x-PW(10)O(38))RE(2)(C(2)O(4))(H(2)O)(2)}(3-).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3764","3772","10.1039/c2dt12202b","","","0.71073","MoKα","","0.1237","0.0737","","","0.1672","0.1976","","","","","","1.008","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018604","20.517","0.011","18.239","0.009","18.608","0.009","90","","102.65","0.01","90","","6794","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H45 N3 O46.5 P Tm2 W10 -","- C14 H36 N3 O46.5 P Tm2 W10 -","- C56 H144 N12 O186 P4 Tm8 W40 -","4","0.5","","Zhang, Shaowei; Wang, Yuan; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two types of oxalate-bridging rare-earth-substituted Keggin-type phosphotungstates {[(α-PW(11)O(39))RE(H(2)O)](2)(C(2)O(4))}(10-) and {(α-x-PW(10)O(38))RE(2)(C(2)O(4))(H(2)O)(2)}(3-).","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3764","3772","10.1039/c2dt12202b","","","0.71073","MoKα","","0.1068","0.0665","","","0.1902","0.2124","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018605","8.9169","0.0004","11.1367","0.0004","30.0531","0.0013","94.157","0.002","97.507","0.002","113.23","0.002","2693.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Ag N8 S2 -","- C26 H33 Ag N8 S2 -","- C104 H132 Ag4 N32 S8 -","4","2","","Castiñeiras, Alfonso; Fernández-Hermida, Nuria; García-Santos, Isabel; Pérez-Lustres, José Luis; Rodríguez-González, Iria","Luminescent complexes of silver(i) with pyridylbis(3-hexamethyleneiminyl thiosemicarbazone): effect of the counterion on the nuclearity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3787","3796","10.1039/c2dt12204a","","","0.71073","MoKα","","0.0982","0.0687","","","0.172","0.1853","","","","","","1.033","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018606","16.4497","0.0013","21.1861","0.0018","26.192","0.003","90","","106.298","0.003","90","","8761.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H100 Ag2 N8 O2 P4 S2 -","- C100 H100 Ag2 N8 O2 P4 S2 -","- C400 H400 Ag8 N32 O8 P16 S8 -","4","0.5","","Castiñeiras, Alfonso; Fernández-Hermida, Nuria; García-Santos, Isabel; Pérez-Lustres, José Luis; Rodríguez-González, Iria","Luminescent complexes of silver(i) with pyridylbis(3-hexamethyleneiminyl thiosemicarbazone): effect of the counterion on the nuclearity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3787","3796","10.1039/c2dt12204a","","","0.71073","MoKα","","0.1412","0.0613","","","0.1017","0.1289","","","","","","1.046","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018607","12.7046","0.0011","16.2446","0.0013","16.9474","0.0014","68.118","0.004","74.165","0.004","74.896","0.004","3072.6","0.5","","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H71 Ag4 N17 O S4 -","- C55 H71 Ag4 N17 O S4 -","- C110 H142 Ag8 N34 O2 S8 -","2","1","","Castiñeiras, Alfonso; Fernández-Hermida, Nuria; García-Santos, Isabel; Pérez-Lustres, José Luis; Rodríguez-González, Iria","Luminescent complexes of silver(i) with pyridylbis(3-hexamethyleneiminyl thiosemicarbazone): effect of the counterion on the nuclearity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3787","3796","10.1039/c2dt12204a","","x-ray","","","","","0.0407","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018608","7.6458","0.0019","8.934","0.002","14.264","0.004","76.092","0.003","78.249","0.003","83.803","0.003","924.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl N4 O4 -","- C21 H17 Cl N4 O4 -","- C42 H34 Cl2 N8 O8 -","2","1","","Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken","Synthesis, crystal structure, spectroscopic and electrochemical properties, and H(2)-evolving activity of a new [PtCl(terpyridine)](+) derivative with viologen-like redox properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4903","4911","10.1039/c2dt12209j","","","0.71073","MoKα","","0.0665","0.0605","","","0.172","0.1743","","","","","","1.313","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018609","27.302","0.003","27.302","0.003","27.053","0.004","90","","90","","90","","20165","4","100","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C21 H17 Cl3 N4 O8 Pt -","- C21 H17 Cl3 N4 O8 Pt -","- C672 H544 Cl96 N128 O256 Pt32 -","32","1","","Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken","Synthesis, crystal structure, spectroscopic and electrochemical properties, and H(2)-evolving activity of a new [PtCl(terpyridine)](+) derivative with viologen-like redox properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4903","4911","10.1039/c2dt12209j","","","0.71073","MoKα","","0.032","0.0258","","","0.0635","0.0659","","","","","","1.092","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018610","11.9353","0.0003","13.7947","0.0004","22.2867","0.0006","90","","90","","90","","3669.37","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl3 O2 P Pd -","- C45 H34 Cl3 O2 P Pd -","- C180 H136 Cl12 O8 P4 Pd4 -","4","1","","Ficks, Arne; Hiney, Rachel M.; Harrington, Ross W.; Gilheany, Declan G.; Higham, Lee J.","MOP-phosphonites: A novel ligand class for asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3515","3522","10.1039/c2dt12214f","","","0.71073","MoKα","","0.0396","0.0281","","","0.0444","0.0457","","","","","","0.88","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018611","12.0059","0.0004","13.8615","0.0004","22.5034","0.0007","90","","90","","90","","3745","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl3 O2 P Pd -","- C45 H34 Cl3 O2 P Pd -","- C180 H136 Cl12 O8 P4 Pd4 -","4","1","","Ficks, Arne; Hiney, Rachel M.; Harrington, Ross W.; Gilheany, Declan G.; Higham, Lee J.","MOP-phosphonites: A novel ligand class for asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3515","3522","10.1039/c2dt12214f","","","0.71073","MoKα","","0.0509","0.0311","","","0.0501","0.0525","","","","","","0.876","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018612","12.137","0.0002","14.4938","0.0003","23.2109","0.0005","90","","90","","90","","4083.06","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H44 Cl O4 P Pd -","- C49 H44 Cl O4 P Pd -","- C196 H176 Cl4 O16 P4 Pd4 -","4","1","","Ficks, Arne; Hiney, Rachel M.; Harrington, Ross W.; Gilheany, Declan G.; Higham, Lee J.","MOP-phosphonites: A novel ligand class for asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3515","3522","10.1039/c2dt12214f","","","0.71073","MoKα","","0.0511","0.03","","","0.0548","0.0574","","","","","","0.892","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018613","10.4065","0.0004","17.4563","0.0004","21.7841","0.0005","90","","90","","90","","3957.3","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl3 O3 P Pd -","- C45 H34 Cl O3 P Pd -","- C180 H136 Cl4 O12 P4 Pd4 -","4","1","","Ficks, Arne; Hiney, Rachel M.; Harrington, Ross W.; Gilheany, Declan G.; Higham, Lee J.","MOP-phosphonites: A novel ligand class for asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3515","3522","10.1039/c2dt12214f","","","0.71073","MoKα","","0.0455","0.0385","","","0.0887","0.0931","","","","","","1.038","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018614","15.2897","0.001","15.3975","0.001","22.438","0.0015","76.564","0.001","72.906","0.001","80.572","0.001","4884.9","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H104 Cl7 N12 Nd3 O35 -","- C73 H84 Cl7 N12 Nd3 O35 -","- C146 H168 Cl14 N24 Nd6 O70 -","2","1","","Bag, Pradip; Dutta, Supriya; Biswas, Papu; Maji, Swarup Kumar; Flörke, Ulrich; Nag, Kamalaksha","Fixation of carbon dioxide by macrocyclic lanthanide(iii) complexes under neutral conditions producing self-assembled trimeric carbonato-bridged compounds with μ(3)-η(2):η(2):η(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3414","3423","10.1039/c2dt12221a","","","0.71073","MoKα","","0.1232","0.0602","","","0.1124","0.1284","","","","","","0.887","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7018615","17.1705","0.0011","18.1041","0.0011","18.1652","0.0011","70.051","0.001","63.018","0.001","78.106","0.001","4721.3","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H92 Cl7 Gd3 N12 O29 -","- C73 H84 Cl7 Gd3 N12 O29 -","- C146 H168 Cl14 Gd6 N24 O58 -","2","1","","Bag, Pradip; Dutta, Supriya; Biswas, Papu; Maji, Swarup Kumar; Flörke, Ulrich; Nag, Kamalaksha","Fixation of carbon dioxide by macrocyclic lanthanide(iii) complexes under neutral conditions producing self-assembled trimeric carbonato-bridged compounds with μ(3)-η(2):η(2):η(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3414","3423","10.1039/c2dt12221a","","","0.71073","MoKα","","0.134","0.0768","","","0.1556","0.1818","","","","","","1.052","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018616","17.1645","0.001","18.1655","0.001","18.1841","0.001","69.995","0.001","63.063","0.001","78.115","0.001","4740.9","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H92 Cl7 N12 O29 Tb3 -","- C73 H84 Cl7 N12 O29 Tb3 -","- C146 H168 Cl14 N24 O58 Tb6 -","2","1","","Bag, Pradip; Dutta, Supriya; Biswas, Papu; Maji, Swarup Kumar; Flörke, Ulrich; Nag, Kamalaksha","Fixation of carbon dioxide by macrocyclic lanthanide(iii) complexes under neutral conditions producing self-assembled trimeric carbonato-bridged compounds with μ(3)-η(2):η(2):η(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3414","3423","10.1039/c2dt12221a","","","0.71073","MoKα","","0.2214","0.0668","","","0.1081","0.1397","","","","","","0.759","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7018617","13.494","0.012","14.883","0.014","19.108","0.018","69.24","0.02","80.39","0.02","65.12","0.02","3255","5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H70 Cl4 N8 O26 Y2 -","- C49 H56 Cl4 N8 O26 Y2 -","- C98 H112 Cl8 N16 O52 Y4 -","2","1","","Bag, Pradip; Dutta, Supriya; Biswas, Papu; Maji, Swarup Kumar; Flörke, Ulrich; Nag, Kamalaksha","Fixation of carbon dioxide by macrocyclic lanthanide(iii) complexes under neutral conditions producing self-assembled trimeric carbonato-bridged compounds with μ(3)-η(2):η(2):η(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3414","3423","10.1039/c2dt12221a","","","0.71073","MoKα","","0.1991","0.0724","","","0.1745","0.2399","","","","","","1.015","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018618","12.2599","0.0004","15.0108","0.0004","17.8358","0.0006","90","","106.126","0.001","90","","3153.19","0.17","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","W((PEt2)2NMe1)2(Cl)2","","","- C11 H27 Cl N P2 W0.5 -","- C11 H27 Cl N P2 W0.5 -","- C88 H216 Cl8 N8 P16 W4 -","8","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0136","0.0133","","","0.0328","0.033","","","","","","1.125","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018619","9.9919","0.0005","15.52","0.0008","17.6634","0.0009","90","","97.533","0.003","90","","2715.5","0.2","373.1","1","373.1","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64.97 N4 O2 P4 W -","- C62 H64.974 N4 O2 P4 W -","- C124 H129.948 N8 O4 P8 W2 -","2","0.5","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0463","0.0269","","","0.0589","0.0661","","","","","","1.066","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018620","10.3311","0.0005","19.3128","0.0009","20.2295","0.001","109.166","0.001","94.039","0.002","100.228","0.002","3715.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H51 N5 P4 W -","- C37 H51 N5 P4 W -","- C148 H204 N20 P16 W4 -","4","2","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0474","0.0274","","","0.0521","0.0577","","","","","","1.044","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018621","8.659","0.0008","11.0792","0.0011","11.0863","0.0011","100.91","0.003","108.761","0.003","93.405","0.003","980.54","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H31 Mo0.5 N3 P2 -","- C17 H31 Mo0.5 N3 P2 -","- C34 H62 Mo N6 P4 -","2","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0332","0.0263","","","0.0596","0.0624","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018622","8.4043","0.0008","11.0166","0.0011","16.7489","0.0016","88.878","0.003","83.125","0.003","72.038","0.003","1464.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Cl0.72 N1.54 P3 W0.5 -","- C29 H42 Cl0.725 N1.55 P3 W0.5 -","- C58 H84 Cl1.45 N3.1 P6 W -","2","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0173","0.017","","","0.041","0.0411","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018623","23.6481","0.0007","11.6215","0.0003","17.3542","0.0005","90","","103.178","0.001","90","","4643.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H51 N5 P4 W -","- C53 H51 N5 P4 W -","- C212 H204 N20 P16 W4 -","4","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0334","0.0233","","","0.0468","0.0494","","","","","","1.03","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018624","11.5609","0.0004","14.1387","0.0005","17.2056","0.0006","77.049","0.001","72.32","0.001","83.343","0.001","2607.89","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H64 N4 O1.5 P4 W -","- C52 H52 N4 P4 W -","- C104 H104 N8 P8 W2 -","2","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0258","0.0218","","","0.0507","0.0522","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018625","13.779","0.0006","14.3548","0.0006","14.2441","0.0006","90","","101.077","0.001","90","","2764.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N3 O P2 W0.5 -","- C31 H35 N3 O P2 W0.5 -","- C124 H140 N12 O4 P8 W2 -","4","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0516","0.03","","","0.0658","0.0768","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018626","12.936","0.0003","27.6368","0.0007","9.1815","0.0002","90","","102.704","0.001","90","","3202.12","0.13","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Br Mo0.5 N O P2 -","- C37 H39 Br Mo0.5 N O P2 -","- C148 H156 Br4 Mo2 N4 O4 P8 -","4","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.037","0.0267","","","0.0609","0.0641","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018627","8.9918","0.0005","13.902","0.0009","19.5071","0.0012","90","","98.521","0.003","90","","2411.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Mo0.5 N3 P2 -","- C27 H27 Mo0.5 N3 P2 -","- C108 H108 Mo2 N12 P8 -","4","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.1047","0.0494","","","0.0789","0.0923","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018628","10.7168","0.0004","13.4035","0.0006","15.4417","0.0007","90","","103.053","0.001","90","","2160.77","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Br2 Mo N P2 -","- C17 H31 Br2 Mo N P2 -","- C68 H124 Br8 Mo4 N4 P8 -","4","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0416","0.0264","","","0.0576","0.0613","","","","","","1.015","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018629","8.8246","0.0004","10.0917","0.0004","11.2789","0.0005","73.237","0.001","84.984","0.001","85.149","0.001","956.22","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H31 Br Mo0.5 N P2 -","- C17 H31 Br Mo0.5 N P2 -","- C34 H62 Br2 Mo N2 P4 -","2","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0236","0.0187","","","0.0451","0.0468","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018630","8.534","0.003","18.737","0.006","19.61","0.006","90","","98.308","0.01","90","","3102.8","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Mo N6 P4 -","- C22 H54 Mo N6 P4 -","- C88 H216 Mo4 N24 P16 -","4","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0492","0.0307","","","0.0648","0.0711","","","","","","1.012","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018631","19.7747","0.0013","10.2104","0.0007","15.55","0.001","90","","101.199","0.002","90","","3079.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Mo N6 P4 -","- C22 H54 Mo N6 P4 -","- C88 H216 Mo4 N24 P16 -","4","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0493","0.0309","","","0.064","0.0703","","","","","","1.011","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018632","23.123","0.004","16.082","0.003","15.539","0.003","90","","102.277","0.008","90","","5646.2","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 Mo0.5 N3 P2 -","- C33 H31 Mo0.5 N3 P2 -","- C264 H248 Mo4 N24 P16 -","8","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0885","0.0448","","","0.085","0.0992","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018633","11.5609","0.0004","14.1387","0.0005","17.2056","0.0006","77.049","0.001","72.32","0.001","83.343","0.001","2607.89","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H64 N4 O1.5 P4 W -","- C52 H52 N4 P4 W -","- C104 H104 N8 P8 W2 -","2","1","","Weiss, Charles J.; Groves, Amy N.; Mock, Michael T.; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Dubois, Daniel L.; Bullock, R. Morris","Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4517","4529","10.1039/c2dt12224c","","","0.71073","MoKα","","0.0584","0.0533","","","0.2133","0.2204","","","","","","1.835","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018634","7.1099","0.0004","18.8042","0.0011","11.6038","0.0007","90","","98.278","0.007","90","","1535.22","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O6 -","- C16 H13 N3 O6 -","- C64 H52 N12 O24 -","4","1","","Zebret, Soumaila; Dupont, Nathalie; Besnard, Céline; Bernardinelli, Gérald; Hamacek, Josef","Lanthanide-mediated triangular cationic assemblies: structural and physico-chemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4817","4823","10.1039/c2dt12227h","","","0.71073","MoKα","","","0.03","","","","0.029","","","","","","1.22","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018635","55.86","0.011","18.93","0.006","38.762","0.009","90","","90","","90","","40988","18","220","2","220","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C63.3 H49.95 Eu3 F18 N13.65 O36 S6 -","- C63.3 H49.95 Eu3 F18 N13.65 O36 S6 -","- C1012.8 H799.2 Eu48 F288 N218.4 O576 S96 -","16","1","","Zebret, Soumaila; Dupont, Nathalie; Besnard, Céline; Bernardinelli, Gérald; Hamacek, Josef","Lanthanide-mediated triangular cationic assemblies: structural and physico-chemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4817","4823","10.1039/c2dt12227h","","","0.71073","MoKα","","0.044","0.0398","","","0.1113","0.1157","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018636","55.75","0.02","18.937","0.015","38.852","0.011","90","","90","","90","","41018","4","220","2","220","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C66 H54 F18 N15 O36 S6 Tb3 -","- C57.84 H41.76 F18 N10.92 O36 S6 Tb3 -","- C925.44 H668.16 F288 N174.72 O576 S96 Tb48 -","16","1","","Zebret, Soumaila; Dupont, Nathalie; Besnard, Céline; Bernardinelli, Gérald; Hamacek, Josef","Lanthanide-mediated triangular cationic assemblies: structural and physico-chemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4817","4823","10.1039/c2dt12227h","","","0.71073","MoKα","","0.0939","0.0654","","","0.1711","0.2082","","","","","","1.148","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018637","6.8884","0.0004","10.1248","0.0005","7.7647","0.0004","90","","100.889","0.001","90","","531.79","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H16 B Fe N -","- C11 H16 B Fe N -","- C22 H32 B2 Fe2 N2 -","2","0.5","","Brunker, Tim J.; Kovač, Branka; Kowalski, Konrad; Polit, Walther; Winter, Rainer F.; Rheingold, Arnold L.; Novak, Igor","Electronic structures of methylated azaferrocenes and their borane adducts: Photoelectron spectroscopy and electronic structure calculations.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3675","3683","10.1039/c2dt12237e","","","0.71073","MoKα","","0.0187","0.0183","","","0.0508","0.051","","","","","","1.145","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018638","10.143","0.0008","11.1181","0.0009","12.4742","0.0011","98.858","0.007","110.988","0.008","100.462","0.007","1254.3","0.2","138","2","138","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H41 N O3 -","- C27 H41 N O3 -","- C54 H82 N2 O6 -","2","1","","Dean, Rebecca K.; Fowler, Candace I.; Hasan, Kamrul; Kerman, Kagan; Kwong, Philip; Trudel, Simon; Leznoff, Daniel B.; Kraatz, Heinz-Bernard; Dawe, Louise N.; Kozak, Christopher M.","Magnetic, electrochemical and spectroscopic properties of iron(iii) amine-bis(phenolate) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4806","4816","10.1039/c2dt12242a","","","0.7107","MoKα","","0.0914","0.0709","","","0.1859","0.2013","","","","","","1.033","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018639","14.923","0.013","11.6563","0.001","19.772","0.017","90","","104.059","0.011","90","","3336","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Br Fe N O3 -","- C35 H53 Br Fe N O3 -","- C140 H212 Br4 Fe4 N4 O12 -","4","1","","Dean, Rebecca K.; Fowler, Candace I.; Hasan, Kamrul; Kerman, Kagan; Kwong, Philip; Trudel, Simon; Leznoff, Daniel B.; Kraatz, Heinz-Bernard; Dawe, Louise N.; Kozak, Christopher M.","Magnetic, electrochemical and spectroscopic properties of iron(iii) amine-bis(phenolate) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4806","4816","10.1039/c2dt12242a","","","0.71075","MoKα","","0.0862","0.0775","","","0.2126","0.222","","","","","","1.093","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018640","9.9384","0.0007","24.9188","0.0018","12.5168","0.0009","90","","95.852","0.002","90","","3083.7","0.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Br Fe N O4 -","- C29 H42 Br Fe N O3.5 -","- C116 H168 Br4 Fe4 N4 O14 -","4","1","","Dean, Rebecca K.; Fowler, Candace I.; Hasan, Kamrul; Kerman, Kagan; Kwong, Philip; Trudel, Simon; Leznoff, Daniel B.; Kraatz, Heinz-Bernard; Dawe, Louise N.; Kozak, Christopher M.","Magnetic, electrochemical and spectroscopic properties of iron(iii) amine-bis(phenolate) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4806","4816","10.1039/c2dt12242a","","","0.7107","MoKα","","0.054","0.0504","","","0.1389","0.1425","","","","","","1.054","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018641","12.2762","0.0019","11.1411","0.0015","19.87","0.003","90","","103.834","0.002","90","","2638.8","0.7","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br Fe N O3 -","- C27 H39 Br Fe N O3 -","- C108 H156 Br4 Fe4 N4 O12 -","4","1","","Dean, Rebecca K.; Fowler, Candace I.; Hasan, Kamrul; Kerman, Kagan; Kwong, Philip; Trudel, Simon; Leznoff, Daniel B.; Kraatz, Heinz-Bernard; Dawe, Louise N.; Kozak, Christopher M.","Magnetic, electrochemical and spectroscopic properties of iron(iii) amine-bis(phenolate) halide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4806","4816","10.1039/c2dt12242a","","","0.7107","MoKα","","0.0545","0.0502","","","0.1295","0.1326","","","","","","1.101","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018642","11.4096","0.0006","20.1336","0.001","15.857","0.0008","90","","96.1853","0.0007","90","","3621.4","0.3","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 B Cl Cr N7 O3 -","- C39 H47 B Cl Cr N7 O3 -","- C156 H188 B4 Cl4 Cr4 N28 O12 -","4","1","","Sickerman, Nathaniel S.; Park, Young Jun; Ng, Gary K.-Y.; Bates, Jefferson E.; Hilkert, Mark; Ziller, Joseph W.; Furche, Filipp; Borovik, A. S.","Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4358","4364","10.1039/c2dt12244h","","","0.71073","MoKα","","0.0536","0.0451","","","0.1169","0.1228","","","","","","1.033","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018643","9.879","0.0005","13.2995","0.0007","15.3116","0.0008","71.151","0.001","85.205","0.001","80.725","0.001","1877.88","0.17","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H47 B Cl Mn N7 O3 -","- C39 H47 B Cl Mn N7 O3 -","- C78 H94 B2 Cl2 Mn2 N14 O6 -","2","1","","Sickerman, Nathaniel S.; Park, Young Jun; Ng, Gary K.-Y.; Bates, Jefferson E.; Hilkert, Mark; Ziller, Joseph W.; Furche, Filipp; Borovik, A. S.","Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4358","4364","10.1039/c2dt12244h","","","0.71073","MoKα","","0.0432","0.0363","","","0.0922","0.0965","","","","","","1.041","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018644","11.2339","0.0005","12.5888","0.0005","14.1351","0.0006","89.8857","0.0005","75.3156","0.0005","72.3284","0.0005","1836.36","0.13","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H47 B Cl Fe N7 O3 -","- C39 H47 B Cl Fe N7 O3 -","- C78 H94 B2 Cl2 Fe2 N14 O6 -","2","1","","Sickerman, Nathaniel S.; Park, Young Jun; Ng, Gary K.-Y.; Bates, Jefferson E.; Hilkert, Mark; Ziller, Joseph W.; Furche, Filipp; Borovik, A. S.","Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4358","4364","10.1039/c2dt12244h","","","0.71073","MoKα","","0.0342","0.0301","","","0.0759","0.0786","","","","","","1.025","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018645","11.4693","0.0006","20.0855","0.001","15.7222","0.0008","90","","96.2667","0.0007","90","","3600.2","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 B Cl Co N7 O3 -","- C39 H47 B Cl Co N7 O3 -","- C156 H188 B4 Cl4 Co4 N28 O12 -","4","1","","Sickerman, Nathaniel S.; Park, Young Jun; Ng, Gary K.-Y.; Bates, Jefferson E.; Hilkert, Mark; Ziller, Joseph W.; Furche, Filipp; Borovik, A. S.","Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4358","4364","10.1039/c2dt12244h","","","0.71073","MoKα","","0.0551","0.0368","","","0.0867","0.0952","","","","","","1.021","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018646","11.2415","0.0004","12.4842","0.0005","14.1654","0.0005","89.1512","0.0005","75.4318","0.0005","71.8214","0.0005","1823.65","0.12","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H47 B Cl N7 Ni O3 -","- C39 H47 B Cl N7 Ni O3 -","- C78 H94 B2 Cl2 N14 Ni2 O6 -","2","1","","Sickerman, Nathaniel S.; Park, Young Jun; Ng, Gary K.-Y.; Bates, Jefferson E.; Hilkert, Mark; Ziller, Joseph W.; Furche, Filipp; Borovik, A. S.","Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4358","4364","10.1039/c2dt12244h","","","0.71073","MoKα","","0.0416","0.0323","","","0.0743","0.0785","","","","","","1.024","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018647","11.4375","0.0005","20.0606","0.0008","15.748","0.0006","90","","96.257","0.001","90","","3591.7","0.3","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 B Cl Cu N7 O3 -","- C39 H47 B Cl Cu N7 O3 -","- C156 H188 B4 Cl4 Cu4 N28 O12 -","4","1","","Sickerman, Nathaniel S.; Park, Young Jun; Ng, Gary K.-Y.; Bates, Jefferson E.; Hilkert, Mark; Ziller, Joseph W.; Furche, Filipp; Borovik, A. S.","Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4358","4364","10.1039/c2dt12244h","","","0.71073","MoKα","","0.0387","0.0315","","","0.0789","0.0827","","","","","","1.032","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018648","11.4509","0.0006","20.1051","0.001","15.7239","0.0008","90","","96.1007","0.0007","90","","3599.5","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 B Cl N7 O3 Zn -","- C39 H47 B Cl N7 O3 Zn -","- C156 H188 B4 Cl4 N28 O12 Zn4 -","4","1","","Sickerman, Nathaniel S.; Park, Young Jun; Ng, Gary K.-Y.; Bates, Jefferson E.; Hilkert, Mark; Ziller, Joseph W.; Furche, Filipp; Borovik, A. S.","Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4358","4364","10.1039/c2dt12244h","","","0.71073","MoKα","","0.0459","0.0346","","","0.0868","0.093","","","","","","1.023","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018649","20.852","0.003","12.9596","0.0012","24.4175","0.0019","90","","103.649","0.011","90","","6412.1","1.2","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C48 H61 Eu N8 O6 -","- C48 H57 Eu N8 O6 -","- C192 H228 Eu4 N32 O24 -","4","0.5","","D'Alessio, Daniel; Muzzioli, Sara; Skelton, Brian W.; Stagni, Stefano; Massi, Massimiliano; Ogden, Mark I.","Luminescent lanthanoid complexes of a tetrazole-functionalised calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4736","4739","10.1039/c2dt12246d","","","0.71073","MoKα","","0.0884","0.0838","","","0.2084","0.2109","","","","","","1.121","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018650","7.9696","0.0002","7.9761","0.0002","13.9627","0.0003","75.947","0.002","87.082","0.002","66.169","0.002","786.47","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H14 N3 O12 S2 Tb -","- C4 H14 N3 O12 S2 Tb -","- C8 H28 N6 O24 S4 Tb2 -","2","1","","D'Alessio, Daniel; Muzzioli, Sara; Skelton, Brian W.; Stagni, Stefano; Massi, Massimiliano; Ogden, Mark I.","Luminescent lanthanoid complexes of a tetrazole-functionalised calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4736","4739","10.1039/c2dt12246d","","","0.71073","MoKα","","0.0287","0.0237","","","0.0537","0.0544","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018651","23.526","0.005","11.962","0.002","37.255","0.006","90","","110.96","0.02","90","","9790","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H66 N10 O4 -","- C52 H66 N10 O4 -","- C416 H528 N80 O32 -","8","1","","D'Alessio, Daniel; Muzzioli, Sara; Skelton, Brian W.; Stagni, Stefano; Massi, Massimiliano; Ogden, Mark I.","Luminescent lanthanoid complexes of a tetrazole-functionalised calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4736","4739","10.1039/c2dt12246d","","","0.71073","MoKα","","0.134","0.0785","","","0.1427","0.1677","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018652","9.462","0.0019","12.156","0.002","18.508","0.004","90","","90","","90","","2128.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H18 Cl3 N3 O -","- C5 H18 Cl3 N3 O -","- C40 H144 Cl24 N24 O8 -","8","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.76999","synchrotronradiation","","0.0545","0.0512","","","0.1403","0.1441","","","","","","1.062","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018653","9.3644","0.0005","15.8507","0.0006","14.2272","0.0007","90","","105.96","0.003","90","","2030.38","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N6 O2 -","- C23 H26 N6 O2 -","- C92 H104 N24 O8 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.0511","0.0399","","","0.1023","0.1081","","","","","","1.043","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018654","9.216","0.0018","13.813","0.003","17.342","0.004","90","","90","","90","","2207.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N6 O4 -","- C23 H24 N6 O4 -","- C92 H96 N24 O16 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.76999","synchrotronradiation","","0.0631","0.0612","","","0.167","0.1687","","","","","","0.99","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018655","9.495","0.0004","10.856","0.0005","10.86","0.0005","86.974","0.003","66.316","0.003","82.209","0.003","1015.68","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N6 O2 -","- C23 H26 N6 O2 -","- C46 H52 N12 O4 -","2","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.0717","0.047","","","0.1149","0.1282","","","","","","1.032","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018656","9.9607","0.0014","10.819","0.0013","18.36","0.002","82.815","0.007","83.582","0.007","83.467","0.006","1940.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N6 O1.5 -","- C23 H25 N6 O1.5 -","- C92 H100 N24 O6 -","4","2","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.1171","0.0516","","","0.1036","0.1232","","","","","","0.93","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018657","9.482","0.0019","26.344","0.005","7.739","0.0015","90","","100.12","0.03","90","","1903.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N6 O -","- C23 H24 N6 O -","- C92 H96 N24 O4 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.76999","synchrotron","","0.088","0.0735","","","0.2023","0.2229","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018658","11.0543","0.0006","13.973","0.0012","15.4963","0.0013","78.685","0.004","84.184","0.004","83.431","0.005","2324","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N6 O2 -","- C25 H22.5 N6 O2 -","- C100 H90 N24 O8 -","4","2","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.0985","0.0696","","","0.2002","0.2196","","","","","","1.037","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018659","17.58","0.0014","21.6924","0.0016","12.814","0.0006","90","","90","","90","","4886.6","0.6","100","2","100","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C25 H30 N6 O2 -","- C23 H24 N6 O -","- C184 H192 N48 O8 -","8","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.1332","0.0804","","","0.1698","0.192","","","","","","1.034","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018660","10.1138","0.0004","18.5737","0.001","16.9353","0.0007","90","","97.817","0.003","90","","3151.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Co F18 N6 O P3 -","- C23 H23.767 Co F18 N6 O P3 -","- C92 H95.068 Co4 F72 N24 O4 P12 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.043","0.0331","","","0.082","0.086","","","","","","1.047","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018661","31.919","0.004","31.919","","18.413","0.002","90","","90","","120","","16246","3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H28 Cl3 Co N6 O14 -","- C23 H24 Cl3 Co N6 O13 -","- C414 H432 Cl54 Co18 N108 O234 -","18","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.124","0.0958","","","0.2972","0.3204","","","","","","1.2","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7018662","9.155","0.0018","21.02","0.004","13.998","0.003","90","","90.497","0.003","90","","2693.6","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl2 Fe N6 O10 -","- C23 H24 Cl2 Fe N6 O10 -","- C92 H96 Cl8 Fe4 N24 O40 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.0484","0.0382","","","0.0989","0.1056","","","","","","1.027","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7018663","9.4909","0.0006","21.0191","0.0012","14.1218","0.0008","90","","94.268","0.003","90","","2809.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23.85 H27.4 Cl2 N6 Ni O9.85 -","- C23.85 H27.4 Cl2 N6 Ni O9.85 -","- C95.4 H109.6 Cl8 N24 Ni4 O39.4 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.0493","0.0369","","","0.0932","0.0999","","","","","","1.028","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7018664","9.6565","0.0004","15.6786","0.0009","17.5345","0.0009","90","","93.361","0.003","90","","2650.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl2 N6 O9 Zn -","- C23 H24 Cl2 N6 O9 Zn -","- C92 H96 Cl8 N24 O36 Zn4 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.0435","0.0357","","","0.093","0.0973","","","","","","1.04","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018665","9.675","0.0003","15.5878","0.0005","17.8081","0.0006","90","","93.557","0.002","90","","2680.5","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl2 N6 O9 Zn -","- C23 H24 Cl2 N6 O9 Zn -","- C92 H96 Cl8 N24 O36 Zn4 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.0585","0.0403","","","0.1027","0.1144","","","","","","1.032","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018666","9.6739","0.0006","15.4973","0.0006","18.316","0.0012","90","","92.495","0.003","90","","2743.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cd Cl2 N6 O9.5 -","- C23 H24 Cd Cl2 N6 O9.5 -","- C92 H96 Cd4 Cl8 N24 O38 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.0564","0.0445","","","0.1169","0.1231","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018667","8.682","0.0017","13.293","0.003","16.419","0.003","90","","90","","90","","1894.9","0.7","293","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Cu N5 O -","- C17 H21 Cl2 Cu N5 O -","- C68 H84 Cl8 Cu4 N20 O4 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.76999","synchrotronradiation","","0.0924","0.0863","","","0.2525","0.266","","","","","","1.148","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018668","9.388","0.0003","13.0791","0.0004","24.1874","0.0007","90","","90","","90","","2969.89","0.16","150","2","150","2","","","","","","","synthesis as described","6","P c 21 n","P -2n -2ac","33","","","","- C33 H33 Cl2 O2 P Ru -","- C33 H33 Cl2 O2 P Ru -","- C132 H132 Cl8 O8 P4 Ru4 -","4","1","","Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian","New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3695","3700","10.1039/c2dt12271e","","x-ray","0.71073","MoKα","","0.0352","0.0319","","","0.0795","0.0821","","","","","","1.052","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018669","17.3658","0.0005","18.0515","0.0006","20.3269","0.0005","90","","90","","90","","6372.1","0.3","150","2","150","2","","","","","","","synthesis as described","5","P c n b","-P 2b 2ac","60","","","","- C72 H60 Cl4 Cu4 P4 -","- C72 H60 Cl4 Cu4 P4 -","- C288 H240 Cl16 Cu16 P16 -","4","0.5","","Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian","New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3695","3700","10.1039/c2dt12271e","","x-ray","0.71073","MoKα","","0.0407","0.03","","","0.073","0.0778","","","","","","1.025","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018670","9.3991","0.0008","14.0465","0.0012","16.2657","0.0015","104.16","0.004","95.607","0.004","108.807","0.004","1934.2","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C39 H37.5 Cl2 O2 P Ru -","- C39 H37.5 Cl2 O2 P Ru -","- C78 H75 Cl4 O4 P2 Ru2 -","2","1","","Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian","New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3695","3700","10.1039/c2dt12271e","","x-ray","0.71073","MoKα","","0.0832","0.0664","","","0.1843","0.194","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018671","11.309","0.0003","23.9659","0.0007","26.7843","0.0006","90","","90","","90","","7259.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C41 H41 Cl2 O2 P Ru -","- C41 H41 Cl2 O2 P Ru -","- C328 H328 Cl16 O16 P8 Ru8 -","8","1","","Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian","New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3695","3700","10.1039/c2dt12271e","","x-ray","0.71073","MoKα","","0.0466","0.0339","","","0.0824","0.0884","","","","","","1.035","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018672","14.6535","0.0008","19.6215","0.0012","15.8148","0.001","90","","108.752","0.003","90","","4305.8","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Cl4 O2 P Ru -","- C42 H61 Cl4 O2 P Ru -","- C168 H244 Cl16 O8 P4 Ru4 -","4","1","","Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian","New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3695","3700","10.1039/c2dt12271e","","x-ray","0.71073","MoKα","","0.043","0.037","","","0.0949","0.1023","","","","","","1.078","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018673","8.6003","0.0006","21.8706","0.0016","13.4565","0.0009","90","","121.437","0.004","90","","2159.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Co N6 O13 -","- C16 H22 Co N6 O13 -","- C64 H88 Co4 N24 O52 -","4","1","","Raja, Duraisamy Senthil; Bhuvanesh, Nattamai S. P.; Natarajan, Karuppannan","A novel water soluble ligand bridged cobalt(ii) coordination polymer of 2-oxo-1,2-dihydroquinoline-3-carbaldehyde (isonicotinic) hydrazone: evaluation of the DNA binding, protein interaction, radical scavenging and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4365","4377","10.1039/c2dt12274j","","","1.54178","CuKα","","0.0492","0.0374","","","0.0811","0.0849","","","","","","1.031","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018674","8.334","0.0012","8.334","0.0012","22.893","0.005","90","","90","","120","","1377","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Tan, Jin-Chong; Jain, Prashant; Cheetham, Anthony K.","Influence of ligand field stabilization energy on the elastic properties of multiferroic MOFs with the perovskite architecture.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3949","3952","10.1039/c2dt12300b","","","0.71073","MoKα","","0.0306","0.024","","","0.0586","0.06","","","","","","0.969","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018675","8.1989","0.0012","8.1989","0.0012","22.224","0.004","90","","90","","120","","1293.8","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Co N O6 -","- C5 H3 Co N0.99 O6 -","- C30 H18 Co6 N5.94 O36 -","6","0.166667","","Tan, Jin-Chong; Jain, Prashant; Cheetham, Anthony K.","Influence of ligand field stabilization energy on the elastic properties of multiferroic MOFs with the perovskite architecture.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3949","3952","10.1039/c2dt12300b","","","0.71073","MoKα","","0.0339","0.0247","","","0.0438","0.0448","","","","","","0.877","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018676","8.1989","0.0012","8.1989","0.0012","22.224","0.004","90","","90","","120","","1293.8","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 N Ni O6 -","- C5 H3 N0.99 Ni O6 -","- C30 H18 N5.94 Ni6 O36 -","6","0.166667","","Tan, Jin-Chong; Jain, Prashant; Cheetham, Anthony K.","Influence of ligand field stabilization energy on the elastic properties of multiferroic MOFs with the perovskite architecture.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3949","3952","10.1039/c2dt12300b","","","0.71073","MoKα","","0.0244","0.0199","","","0.0476","0.0482","","","","","","1.042","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018677","8.1924","0.0008","8.192","","22.277","0.002","90","","90","","120","","1294.76","0.17","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 N O6 Zn -","- C5 H9 N0.99 O6 Zn -","- C30 H54 N5.94 O36 Zn6 -","6","0.166667","","Tan, Jin-Chong; Jain, Prashant; Cheetham, Anthony K.","Influence of ligand field stabilization energy on the elastic properties of multiferroic MOFs with the perovskite architecture.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3949","3952","10.1039/c2dt12300b","","","0.71073","MoKα","","0.0277","0.0236","","","0.0581","0.0602","","","","","","1.145","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018678","11.367","0.005","24.599","0.009","9.05","0.004","90","","112.97","0.005","90","","2329.9","1.7","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Fe N2 O4 Zn -","- C22 H16 Fe N2 O4 Zn -","- C88 H64 Fe4 N8 O16 Zn4 -","4","1","","Hirai, Kenji; Uehara, Hiromitsu; Kitagawa, Susumu; Furukawa, Shuhei","Redox reaction in two-dimensional porous coordination polymers based on ferrocenedicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3924","3927","10.1039/c2dt12304e","","","0.71075","MoKα","","","0.0763","","","","0.2108","","","","","","0.914","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018679","8.94","0.005","12.349","0.006","15.288","0.008","78.383","0.018","87.636","0.018","87.59","0.02","1650.8","1.5","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H20 Fe N4 O8 Zn -","- C36 H20 Fe N4 O8 Zn -","- C72 H40 Fe2 N8 O16 Zn2 -","2","1","","Hirai, Kenji; Uehara, Hiromitsu; Kitagawa, Susumu; Furukawa, Shuhei","Redox reaction in two-dimensional porous coordination polymers based on ferrocenedicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3924","3927","10.1039/c2dt12304e","","","0.71075","MoKα","","","0.0731","","","","0.1885","","","","","","0.936","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018680","9.072","0.006","21.526","0.012","14.375","0.009","90","","99.212","0.012","90","","2771","3","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Fe N2 O4 Zn -","- C28 H20 Fe N2 O4 Zn -","- C112 H80 Fe4 N8 O16 Zn4 -","4","1","","Hirai, Kenji; Uehara, Hiromitsu; Kitagawa, Susumu; Furukawa, Shuhei","Redox reaction in two-dimensional porous coordination polymers based on ferrocenedicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3924","3927","10.1039/c2dt12304e","","","0.71075","MoKα","","","0.0792","","","","0.2253","","","","","","1.016","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018681","8.0079","0.0002","8.8634","0.0003","8.8643","0.0002","67.429","0.002","88.975","0.002","75.965","0.001","561.64","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H12 B5 N O10 -","- C3 H12 B5 N O10 -","- C6 H24 B10 N2 O20 -","2","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Timmis, James L.; Varma, K. Sukumar","Templated heptaborate and pentaborate salts of cyclo-alkylammonium cations: structural and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4396","4403","10.1039/c2dt12310j","","","0.71073","MoKα","","0.0361","0.0317","","","0.0792","0.0821","","","","","","1.078","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018682","9.4446","0.0004","13.9129","0.0007","10.333","0.0003","90","","92.517","0.003","90","","1356.46","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 B5 N O10 -","- C5 H16 B5 N O10 -","- C20 H64 B20 N4 O40 -","4","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Timmis, James L.; Varma, K. Sukumar","Templated heptaborate and pentaborate salts of cyclo-alkylammonium cations: structural and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4396","4403","10.1039/c2dt12310j","","","0.71073","MoKα","","0.0665","0.0447","","","0.1078","0.1204","","","","","","1.027","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018683","9.8889","0.0004","11.4371","0.0004","15.8055","0.0005","90","","106.958","0.002","90","","1709.88","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 B5 N O10 -","- C9 H24 B5 N O10 -","- C36 H96 B20 N4 O40 -","4","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Timmis, James L.; Varma, K. Sukumar","Templated heptaborate and pentaborate salts of cyclo-alkylammonium cations: structural and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4396","4403","10.1039/c2dt12310j","","","0.71073","MoKα","","0.0761","0.0494","","","0.1158","0.1308","","","","","","1.024","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018684","11.5041","0.0002","11.8807","0.0002","12.6861","0.0002","69.243","0.001","81.704","0.001","63.105","0.001","1445.71","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H44 B8 N2 O20 -","- C12 H41.754 B8 N2 O20 -","- C24 H83.508 B16 N4 O40 -","2","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Timmis, James L.; Varma, K. Sukumar","Templated heptaborate and pentaborate salts of cyclo-alkylammonium cations: structural and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4396","4403","10.1039/c2dt12310j","","","0.71073","MoKα","","0.0388","0.0338","","","0.082","0.085","","","","","","1.037","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018685","13.02","0.0003","13.5845","0.0004","18.4005","0.0004","90","","91.513","0.001","90","","3253.37","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H47 B9 N2 O22 -","- C14.007 H43.016 B9 N2.001 O21.999 -","- C56.028 H172.064 B36 N8.004 O87.996 -","4","1","","Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Timmis, James L.; Varma, K. Sukumar","Templated heptaborate and pentaborate salts of cyclo-alkylammonium cations: structural and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4396","4403","10.1039/c2dt12310j","","","0.71073","MoKα","","0.0801","0.0672","","","0.1849","0.1956","","","","","","1.025","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018686","11.8447","0.0007","11.8447","0.0007","18.9782","0.0013","90","","90","","90","","2662.6","0.3","295","2","295","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C4 H4 Cu N6 -","- C4 H4 Cu N6 -","- C48 H48 Cu12 N72 -","12","0.375","","Grzywa, Maciej; Denysenko, Dmytro; Hanss, Jan; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Weil, Matthias; Volkmer, Dirk","CuN(6) Jahn-Teller centers in coordination frameworks comprising fully condensed Kuratowski-type secondary building units: phase transitions and magneto-structural correlations.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4239","4248","10.1039/c2dt12311h","","x-ray","0.71073","MoKα","","0.0935","0.0475","","","0.0908","0.104","","","","","","1.088","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018687","28.2832","0.0019","12.7319","0.0008","24.0914","0.0014","90","","95.252","0.003","90","","8638.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C101 H80 Cl6 Fe2 N12 -","- C99 H78 Fe2 N12 -","- C396 H312 Fe8 N48 -","4","0.5","","Zhang, Zhan; Chen, Yakun; Dolphin, David","Diastereoselective generation of triple-stranded helicates induced by gem-dimethyl groups on a linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4751","4753","10.1039/c2dt12316a","","","0.71073","MoKα","","0.0581","0.0456","","","0.1194","0.1265","","","","","","1.103","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018688","28.2196","0.0009","12.5132","0.0004","23.8825","0.0007","90","","96.244","0.002","90","","8383.3","0.5","103","0.1","103","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C101 H82 Cl4 Co2 N12 -","- C101 H82 Cl4 Co2 N12 -","- C404 H328 Cl16 Co8 N48 -","4","0.5","","Zhang, Zhan; Chen, Yakun; Dolphin, David","Diastereoselective generation of triple-stranded helicates induced by gem-dimethyl groups on a linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4751","4753","10.1039/c2dt12316a","","","0.71069","MoKα","","0.0715","0.0433","","","0.0982","0.1131","","","","","","1.004","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018689","30.649","0.005","11.6904","0.0018","25.147","0.003","90","","109.172","0.005","90","","8510","2","103","0.1","103","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H80 Cl2 Mn2 N12 -","- C100 H80 Cl2 Mn2 N12 -","- C400 H320 Cl8 Mn8 N48 -","4","0.5","","Zhang, Zhan; Chen, Yakun; Dolphin, David","Diastereoselective generation of triple-stranded helicates induced by gem-dimethyl groups on a linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4751","4753","10.1039/c2dt12316a","","","0.71073","MoKα","","0.1051","0.0638","","","0.1314","0.1486","","","","","","1.109","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018690","28.13","0.0007","12.85","0.0003","24.134","0.0005","90","","94.951","0.001","90","","8691.2","0.3","103","0.1","103","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C99 H78 Ga2 N12 -","- C99 H78 Ga2 N12 -","- C396 H312 Ga8 N48 -","4","0.5","","Zhang, Zhan; Chen, Yakun; Dolphin, David","Diastereoselective generation of triple-stranded helicates induced by gem-dimethyl groups on a linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4751","4753","10.1039/c2dt12316a","","","0.71069","MoKα","","0.0606","0.0421","","","0.1057","0.1138","","","","","","1.105","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018691","16.775","0.002","11.9723","0.0015","14.055","0.0016","90","","90","","90","","2822.7","0.6","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H20 Cu2 N8 O12 -","- C26 H20 Cu2 N8 O12 -","- C104 H80 Cu8 N32 O48 -","4","0.5","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4497","4505","10.1039/c2dt12320g","","","0.71073","MoKα","","0.0471","0.0369","","","0.0996","0.1062","","","","","","1.052","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018692","8.1844","0.0005","15.7522","0.0009","12.9435","0.0008","90","","100.672","0.003","90","","1639.84","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26.5 H31 Cl2 Cu2 N6 O11 -","- C26.5 H31 Cl2 Cu2 N6 O11 -","- C53 H62 Cl4 Cu4 N12 O22 -","2","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4497","4505","10.1039/c2dt12320g","","","0.71073","MoKα","","0.042","0.0347","","","0.0701","0.0741","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018693","28.939","0.015","7.388","0.003","17.88","0.009","90","","107.998","0.005","90","","3636","3","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28.5 H32 Cl2 Cu2 N6 O17.5 -","- C28.5 H30 Cl2 Cu2 N6 O17.5 -","- C114 H120 Cl8 Cu8 N24 O70 -","4","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4497","4505","10.1039/c2dt12320g","","","0.71075","MoKα","","0.0683","0.0611","","","0.1577","0.1653","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018694","16.799","0.003","19.571","0.004","13.054","0.003","90","","99.06","0.03","90","","4238.3","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 Cu3 N12 O22 -","- C37 H34 Cu3 N12 O22 -","- C148 H136 Cu12 N48 O88 -","4","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4497","4505","10.1039/c2dt12320g","","","0.71073","MoKα","","0.0626","0.0493","","","0.1257","0.1326","","","","","","1.04","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018695","14.659","0.003","13.711","0.002","15.44","0.003","90","","112.636","0.007","90","","2864.2","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Cu2 N6 O16 -","- C24 H20 Cl2 Cu2 N6 O16 -","- C96 H80 Cl8 Cu8 N24 O64 -","4","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4497","4505","10.1039/c2dt12320g","","","0.71073","MoKα","","0.0558","0.0493","","","0.1295","0.1364","","","","","","1.053","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018696","11.8847","0.0003","12.1913","0.0002","12.2022","0.0003","77.297","0.0001","69.28","0.0001","70.925","0.0001","1551.92","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Bi N6 O12 -","- C27 H33 Bi N6 O12 -","- C54 H66 Bi2 N12 O24 -","2","1","","Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.","Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4126","4134","10.1039/c2dt12330d","","","0.71073","MoKα","","0.0311","0.0267","","","0.054","0.0555","","","","","","1.049","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018697","16.793","0.0003","10.5974","0.0002","18.5857","0.0004","90","","90","","90","","3307.55","0.11","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H37 Bi N6 O14 -","- C27 H33 Bi N6 O14 -","- C108 H132 Bi4 N24 O56 -","4","0.5","","Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.","Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4126","4134","10.1039/c2dt12330d","","","1.54184","CuKα","","0.0478","0.0377","","","0.0888","0.0943","","","","","","1.206","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018698","9.2386","0.0005","10.7144","0.0006","12.2516","0.0006","79.607","0.004","68.55","0.005","78.703","0.005","1098.98","0.11","120","2","119.7","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Bi2 N8 O18 -","- C38 H42 Bi2 N8 O18 -","- C38 H42 Bi2 N8 O18 -","1","0.5","","Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.","Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4126","4134","10.1039/c2dt12330d","","","0.71073","MoKα","","0.0205","0.0195","","","0.0475","0.048","","","","","","1.056","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018699","9.1117","0.0004","10.1375","0.0003","10.8648","0.0004","67.217","0.003","71.802","0.003","81.548","0.003","878.61","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Bi2 N4 O18 -","- C32 H24 Bi2 N4 O18 -","- C32 H24 Bi2 N4 O18 -","1","0.5","","Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.","Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4126","4134","10.1039/c2dt12330d","","","0.71073","MoKα","","0.033","0.0307","","","0.0746","0.0764","","","","","","1.064","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018700","14.249","0.005","10.089","0.005","21.025","0.005","90","","101.954","0.005","90","","2957","1.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Bi Li N5 O13 -","- C25 H27 Bi Li N5 O13 -","- C100 H108 Bi4 Li4 N20 O52 -","4","1","","Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.","Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4126","4134","10.1039/c2dt12330d","","","1.54184","CuKα","","0.0251","0.0237","","","0.0618","0.0626","","","","","","1.137","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018701","9.674","0.005","11.078","0.005","16.972","0.005","90","","115.427","0.018","90","","1642.7","1.3","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H16 Bi Li5 N4 O18 -","- C28 H13 Bi Li5 N4 O18 -","- C56 H26 Bi2 Li10 N8 O36 -","2","0.5","","Thirumurugan, A.; Li, Wei; Cheetham, Anthony K.","Bismuth 2,6-pyridinedicarboxylates: Assembly of molecular units into coordination polymers, CO(2) sorption and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4126","4134","10.1039/c2dt12330d","","","1.5418","CuKα","","0.0294","0.0285","","","0.0777","0.0783","","","","","","1.081","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018702","7.2721","0.0016","16.236","0.004","12.963","0.003","90","","98.622","0.004","90","","1513.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N5 O8 V -","- C9 H18 N5 O8 V -","- C36 H72 N20 O32 V4 -","4","1","","Yu, Xian-Yong; Yi, Ping-Gui; Ji, Dan-Hong; Zeng, Bi-Rong; Li, Xiao-Fang; Xu, Xin","Study of the coordination and solution structures for the interaction systems between diperoxidovanadate complexes and 4-(pyridin-2-yl)pyrimidine-like ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3684","3694","10.1039/c2dt12334g","","","0.71073","MoKα","","0.0972","0.0916","","","0.2173","0.2211","","","","","","1.289","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018703","12.9276","0.0014","6.9044","0.0006","15.8482","0.0013","90","","90","","90","","1414.6","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H11 N4 O7 V -","- C9 H11 N4 O7 V -","- C36 H44 N16 O28 V4 -","4","0.5","","Yu, Xian-Yong; Yi, Ping-Gui; Ji, Dan-Hong; Zeng, Bi-Rong; Li, Xiao-Fang; Xu, Xin","Study of the coordination and solution structures for the interaction systems between diperoxidovanadate complexes and 4-(pyridin-2-yl)pyrimidine-like ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3684","3694","10.1039/c2dt12334g","","","0.71073","MoKα","","0.057","0.0408","","","0.0999","0.1037","","","","","","1.004","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7018704","8.4247","0.0004","19.9572","0.0009","17.247","0.0008","90","","92.943","0.001","90","","2896","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N2 Zn -","- C34 H38 N2 Zn -","- C136 H152 N8 Zn4 -","4","1","","Romain, Charles; Rosa, Vitor; Fliedel, Christophe; Bier, Frédéric; Hild, Frédéric; Welter, Richard; Dagorne, Samuel; Avilés, Teresa","Highly active zinc alkyl cations for the controlled and immortal ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3377","3379","10.1039/c2dt12336c","","","0.71073","MoKα","","0.0693","0.0464","","","0.1201","0.1337","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018705","15.3366","0.0006","9.4848","0.0003","13.7078","0.0005","90","","106.926","0.004","90","","1907.62","0.13","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu2 H14 Na5 O19 S4 -","- Cu2 H14 Na5 O19 S4 -","- Cu8 H56 Na20 O76 S16 -","4","1","","Abrahams, Brendan F.; Abrahams, Carmel T.; Haywood, Marissa G.; Hudson, Timothy A.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","3d-Metal derivatives of the [Cu(I)(SO(3))(4)](7-) ion: structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4091","4099","10.1039/c2dt12337a","","","0.71073","MoKα","","0.074","0.0474","","","0.0941","0.1025","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018706","25.2401","0.001","25.2401","0.001","7.4556","0.0003","90","","90","","90","","4749.7","0.3","130","2","130","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H42 Cu5 N9 O20 S4 -","- C40 H40 Cu5 N9 O20 S4 -","- C160 H160 Cu20 N36 O80 S16 -","4","0.25","","Abrahams, Brendan F.; Abrahams, Carmel T.; Haywood, Marissa G.; Hudson, Timothy A.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","3d-Metal derivatives of the [Cu(I)(SO(3))(4)](7-) ion: structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4091","4099","10.1039/c2dt12337a","","","1.54184","CuKα","","0.0744","0.057","","","0.1462","0.1571","","","","","","1.156","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018707","9.055","0.0003","9.055","0.0003","29.545","0.002","90","","90","","120","","2097.93","0.17","130","2","130","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- Cu2 Fe5 H44 Na3 O47 S8 -","- Cu2 Fe5 H42 Na3 O47 S8 -","- Cu4 Fe10 H84 Na6 O94 S16 -","2","0.166667","","Abrahams, Brendan F.; Abrahams, Carmel T.; Haywood, Marissa G.; Hudson, Timothy A.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","3d-Metal derivatives of the [Cu(I)(SO(3))(4)](7-) ion: structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4091","4099","10.1039/c2dt12337a","","","0.71073","MoKα","","0.0635","0.0619","","","0.133","0.1336","","","","","","1.388","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018708","9.6671","0.0019","12.92","0.003","13.049","0.003","90","","91.041","0.004","90","","1629.5","0.6","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H16 Mn Na12 O32 S8 -","- Cu2 H16 Mn Na12 O32 S8 -","- Cu4 H32 Mn2 Na24 O64 S16 -","2","0.5","","Abrahams, Brendan F.; Abrahams, Carmel T.; Haywood, Marissa G.; Hudson, Timothy A.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard","3d-Metal derivatives of the [Cu(I)(SO(3))(4)](7-) ion: structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4091","4099","10.1039/c2dt12337a","","","0.71073","MoKα","","0.0677","0.0481","","","0.1035","0.1114","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018709","23.7369","0.0011","15.8216","0.0007","16.289","0.0008","90","","124.054","0.001","90","","5068.4","0.4","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 La N3 O11.25 -","- C21 H20 La N3 O11.25 -","- C168 H160 La8 N24 O90 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0492","0.0396","","","0.0916","0.0969","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018710","23.659","0.007","15.77","0.004","16.214","0.009","90","","123.982","0.003","90","","5016","3","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 Ce N3 O11.25 -","- C21 H20 Ce N3 O11.25 -","- C168 H160 Ce8 N24 O90 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.053","0.045","","","0.1171","0.1226","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018711","23.7046","0.0011","15.7987","0.0007","16.2398","0.0014","90","","124.204","0.001","90","","5029.9","0.5","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 N3 O11.25 Pr -","- C21 H20 N3 O11.25 Pr -","- C168 H160 N24 O90 Pr8 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0377","0.0345","","","0.0809","0.0832","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018712","23.649","0.0011","15.7654","0.0008","16.2182","0.0008","90","","124.272","0.001","90","","4996.9","0.4","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 N3 Nd O11.25 -","- C21 H20 N3 Nd O11.25 -","- C168 H160 N24 Nd8 O90 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0513","0.0398","","","0.0902","0.097","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018713","23.6108","0.001","15.7288","0.0007","16.1612","0.0013","90","","124.291","0.001","90","","4958.6","0.5","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 N3 O11.25 Sm -","- C21 H20 N3 O11.25 Sm -","- C168 H160 N24 O90 Sm8 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0467","0.0382","","","0.0869","0.0911","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018714","23.5849","0.0011","15.7031","0.0007","16.1371","0.0007","90","","124.274","0.001","90","","4938.7","0.4","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 Eu N3 O11.25 -","- C21 H20 Eu N3 O11.25 -","- C168 H160 Eu8 N24 O90 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0438","0.0375","","","0.0908","0.0946","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018715","23.5619","0.0012","15.6714","0.0008","16.1158","0.0008","90","","124.238","0.001","90","","4919.5","0.4","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 Gd N3 O11.25 -","- C21 H20 Gd N3 O11.25 -","- C168 H160 Gd8 N24 O90 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0376","0.0318","","","0.0741","0.0771","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018716","23.5862","0.0009","15.7079","0.0006","16.0933","0.0012","90","","124.16","","90","","4933.7","0.5","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 N3 O11.25 Tb -","- C21 H20 N3 O11.25 Tb -","- C168 H160 N24 O90 Tb8 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.038","0.0342","","","0.0827","0.0851","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018717","23.571","0.004","15.673","0.003","16.082","0.003","90","","124.154","0.002","90","","4916.5","1.6","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 Dy N3 O11.25 -","- C21 H20 Dy N3 O11.25 -","- C168 H160 Dy8 N24 O90 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0588","0.0445","","","0.101","0.1087","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018718","23.5634","0.001","15.694","0.0007","16.0403","0.0007","90","","124.083","0.001","90","","4912.8","0.4","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 Ho N3 O11.25 -","- C21 H20 Ho N3 O11.25 -","- C168 H160 Ho8 N24 O90 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0425","0.0356","","","0.0839","0.0876","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018719","23.483","0.004","15.623","0.003","15.964","0.003","90","","124.008","0.002","90","","4855","1.5","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 Er N3 O11.25 -","- C21 H20 Er N3 O11.25 -","- C168 H160 Er8 N24 O90 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.061","0.0451","","","0.102","0.1109","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018720","23.56","0.004","15.66","0.003","15.991","0.005","90","","123.957","0.002","90","","4894","2","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20.5 N3 O11.25 Tm -","- C21 H20 N3 O11.25 Tm -","- C168 H160 N24 O90 Tm8 -","8","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.0563","0.0413","","","0.0933","0.1027","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018721","5.4387","0.0005","29.037","0.003","10.922","0.001","90","","93.882","0.002","90","","1720.9","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Gd N O12 -","- C15 H12 Gd N O12 -","- C60 H48 Gd4 N4 O48 -","4","1","","Su, Shengqun; Wang, Song; Song, Xuezhi; Song, Shuyan; Qin, Chao; Zhu, Min; Hao, Zhaomin; Zhao, Shuna; Zhang, Hongjie","Syntheses, structures, photoluminescence, and magnetic properties of (3,6)- and 4-connected lanthanide metal-organic frameworks with a semirigid tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4772","4779","10.1039/c2dt12346k","","","0.71073","MoKα","","0.1035","0.0777","","","0.1991","0.2338","","","","","","1.092","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018722","19.4317","0.0008","17.0627","0.0007","22.8784","0.0009","90","","102.013","0.001","90","","7419.4","0.5","40","","40","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H6 Cl2 F12 Si -","- C16 H6 Cl2 F12 Si -","- C256 H96 Cl32 F192 Si16 -","16","4","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","x-ray","0.71073","MoKα","K-L~3~","0.0504","0.0427","","","0.0984","0.1019","","","","","","1.043","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018723","9.6178","0.0004","9.6651","0.0004","26.763","0.001","90","","92.44","0.01","90","","2485.55","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H9 F19 Si -","- C24 H9 F19 Si -","- C96 H36 F76 Si4 -","4","1","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","","0.71073","MoKα","","0.0904","0.0525","","","0.1309","0.1451","","","","","","0.951","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018724","5.2873","0.0002","11.8255","0.0004","14.6695","0.0006","101.729","0.001","94.083","0.001","97.172","0.001","886.62","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 F12 O2 Si -","- C16 H8 F12 O2 Si -","- C32 H16 F24 O4 Si2 -","2","1","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","","0.71073","MoKα","","0.0592","0.0502","","","0.1339","0.1436","","","","","","1.025","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018725","9.7607","0.0003","12.0194","0.0004","16.2537","0.0005","76.83","0.01","89.82","0.02","86.76","0.01","1853.63","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H6 Cl2 F12 Ge -","- C16 H6 Cl2 F12 Ge -","- C64 H24 Cl8 F48 Ge4 -","4","2","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","","0.71073","MoKα","","0.1119","0.0527","","","0.1042","0.1191","","","","","","0.981","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018726","20.5512","0.0003","8.8009","0.0001","20.57","0.0003","90","","90","","90","","3720.48","0.09","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H12 Br2 F24 Ge2 -","- C32 H12 Br2 F24 Ge2 -","- C128 H48 Br8 F96 Ge8 -","4","0.5","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","","0.71073","MoKα","","0.0405","0.0291","","","0.0706","0.0774","","","","","","1.027","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018727","9.9088","0.0007","11.4937","0.0008","13.2397","0.0009","102.992","0.01","96.288","0.01","109.995","0.01","1351.8","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H9 Cl F18 Sn -","- C24 H9 Cl F18 Sn -","- C48 H18 Cl2 F36 Sn2 -","2","1","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","x-ray","0.71073","MoKα","K-L~3~","0.0487","0.0424","","","0.1133","0.1197","","","","","","1.095","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018728","13.8685","0.0003","13.761","0.0003","17.4025","0.0004","90","","102.68","0.01","90","","3240.17","0.18","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H12 F24 Sn -","- C32 H12 F24 Sn -","- C128 H48 F96 Sn4 -","4","1","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","","0.71073","MoKα","","0.037","0.0359","","","0.0974","0.0987","","","","","","1.007","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018729","9.4168","0.0005","9.7943","0.0005","16.2617","0.0008","102.743","0.002","94.8","0.002","112.731","0.002","1325.27","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H9 Br F18 Sn -","- C24 H9 Br F18 Sn -","- C48 H18 Br2 F36 Sn2 -","2","1","","Coffer, Philippa K.; Dillon, Keith B.; Howard, Judith A. K.; Yufit, Dmitry S.; Zorina, Natalia V.","Synthesis and characterisation of selected group 14 derivatives of the 2,5-(CF(3))(2)C(6)H(3) (Ar) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4460","4468","10.1039/c2dt12369j","","","0.71073","MoKα","","0.0436","0.0391","","","0.1053","0.1099","","","","","","1.017","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018730","11.5499","0.001","14.8223","0.0008","19.2382","0.0018","90","","105.224","0.009","90","","3177.9","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H65 Cl2 Cu F3 N6 O13 -","- C67 H65 Cl2 Cu F3 N6 O13 -","- C134 H130 Cl4 Cu2 F6 N12 O26 -","2","1","","Howson, Suzanne E.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Simpson, Daniel H.; Scott, Peter","Jahn-Teller effects on π-stacking and stereoselectivity in the phenylethaniminopyridine tris-chelates Cu(NN')(3)(2+).","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4477","4483","10.1039/c2dt12378a","","","1.54184","CuKα","","0.0772","0.0586","","","0.1395","0.1563","","","","","","1.022","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018731","10.69","0.001","11.0661","0.0011","14.7279","0.0015","109.01","0.002","90.67","0.001","96.209","0.001","1635.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 Br2 N3 Pd -","- C34 H39 Br2 N3 Pd -","- C68 H78 Br4 N6 Pd2 -","2","1","","Yang, Longguang; Guan, Pei; He, Pan; Chen, Qian; Cao, Changsheng; Peng, Yu; Shi, Zhan; Pang, Guangsheng; Shi, Yanhui","Synthesis and characterization of novel chiral NHC-palladium complexes and their application in copper-free Sonogashira reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5020","5025","10.1039/c2dt12391f","","","0.71073","MoKα","","0.0686","0.04","","","0.0964","0.1103","","","","","","1.038","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018732","10.426","0.0011","17.39","0.0018","16.7852","0.0015","90","","95.899","0.001","90","","3027.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 Br2 N3 O Pd -","- C29 H37 Br2 N3 O Pd -","- C116 H148 Br8 N12 O4 Pd4 -","4","1","","Yang, Longguang; Guan, Pei; He, Pan; Chen, Qian; Cao, Changsheng; Peng, Yu; Shi, Zhan; Pang, Guangsheng; Shi, Yanhui","Synthesis and characterization of novel chiral NHC-palladium complexes and their application in copper-free Sonogashira reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5020","5025","10.1039/c2dt12391f","","","0.71073","MoKα","","0.0894","0.063","","","0.1253","0.1334","","","","","","1.079","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018733","35.859","0.007","17.02","0.003","27.824","0.006","90","","122.73","0.03","90","","14285","7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C108 H60 Cd5 O28 -","- C108 H60 Cd5 O28 -","- C432 H240 Cd20 O112 -","4","0.5","","Lin, Qipu; Wu, Tao; Bu, Xianhui; Feng, Pingyun","A twelve-connected porous framework built from rare linear cadmium tricarboxylate pentamer.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3620","3622","10.1039/c2dt12392d","","","0.71073","MoKα","","0.0821","0.0682","","","0.2056","0.2143","","","","","","1.049","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018734","10.0514","0.0006","14.6745","0.0008","14.8435","0.0008","69.202","0.003","83.2","0.004","88.432","0.004","2032.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H58 Cd3 N4 O16 -","- C66 H54 Cd3 N4 O16 -","- C66 H54 Cd3 N4 O16 -","1","0.5","","Lin, Qipu; Wu, Tao; Bu, Xianhui; Feng, Pingyun","A twelve-connected porous framework built from rare linear cadmium tricarboxylate pentamer.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3620","3622","10.1039/c2dt12392d","","","0.71073","MoKα","","0.0891","0.0565","","","0.1318","0.1455","","","","","","0.955","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018735","13.2709","0.0005","14.4188","0.0004","19.2095","0.0006","98.648","0.002","95.949","0.003","91.422","0.003","3611.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H152 N4 O64 P2 S8 Y2 -","- C118 H92 N4 O64 P2 S8 Y2 -","- C118 H92 N4 O64 P2 S8 Y2 -","1","0.5","","Ling, Irene; Alias, Yatimah; Skelton, Brian W.; Raston, Colin L.","Inclusion controlled lanthanide-imidazolium functionalised carboxylate complexation.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4884","4889","10.1039/c2dt12410f","","","0.71073","MoKα","","0.1325","0.0947","","","0.2929","0.3171","","","","","","1.13","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018736","13.5398","0.0002","20.0742","0.0004","25.45","0.0005","75.672","0.002","88.752","0.001","89.745","0.001","6700.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C236 H277 Gd5 N8 O116 P4 S16 -","- C236 H184 Gd5 N8 O116 P4 S16 -","- C236 H184 Gd5 N8 O116 P4 S16 -","1","0.5","","Ling, Irene; Alias, Yatimah; Skelton, Brian W.; Raston, Colin L.","Inclusion controlled lanthanide-imidazolium functionalised carboxylate complexation.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4884","4889","10.1039/c2dt12410f","","","0.71073","MoKα","","0.1178","0.0937","","","0.2674","0.2841","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018737","13.5119","0.0003","20.0962","0.0007","25.4359","0.0006","75.509","0.003","88.865","0.002","89.772","0.002","6685.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C236 H284 N8 O117 P4 S16 Y5 -","- C236 H184 N8 O117 P4 S16 Y5 -","- C236 H184 N8 O117 P4 S16 Y5 -","1","0.5","","Ling, Irene; Alias, Yatimah; Skelton, Brian W.; Raston, Colin L.","Inclusion controlled lanthanide-imidazolium functionalised carboxylate complexation.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4884","4889","10.1039/c2dt12410f","","","0.71073","MoKα","","0.1624","0.1342","","","0.3036","0.3229","","","","","","1.16","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018738","31.01","0.004","31.01","0.004","28.765","0.006","90","","90","","90","","27661","8","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C182 H280 Cl2 Cu9 N18 O96 -","- C182 H162 Cl2 Cu9 N18 O40 -","- C728 H648 Cl8 Cu36 N72 O160 -","4","0.5","","Zhao, Xiao-Liang; Sun, Di; Hu, Tuo-Ping; Yuan, Shuai; Gu, Li-Chuan; Cong, Heng-Jiang; He, Hai-Yan; Sun, Dao-Feng","Phase transfer catalyst supported, room-temperature biphasic synthesis: a facile approach to the synthesis of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4320","4323","10.1039/c2dt12427k","","","0.71073","MoKα","","0.0846","0.0801","","","0.2281","0.2348","","","","","","1.078","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018739","11.419","0.0007","12.9822","0.0008","17.2565","0.0011","89.986","0.001","79.229","0.001","80.394","0.001","2476.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H62 Cu2 N4 O21 -","- C47 H62 Cu2 N4 O21 -","- C94 H124 Cu4 N8 O42 -","2","1","","Zhao, Xiao-Liang; Sun, Di; Hu, Tuo-Ping; Yuan, Shuai; Gu, Li-Chuan; Cong, Heng-Jiang; He, Hai-Yan; Sun, Dao-Feng","Phase transfer catalyst supported, room-temperature biphasic synthesis: a facile approach to the synthesis of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4320","4323","10.1039/c2dt12427k","","","0.71073","MoKα","","0.0836","0.068","","","0.1808","0.1938","","","","","","1.084","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018740","8.6119","0.0009","11.1471","0.0014","13.3906","0.0009","106.14","0.009","99.678","0.007","108.16","0.01","1126.7","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H46 Cl2 N4 O9 P2 Pd2 S4 -","- C30 H44 Cl2 N4 O8 P2 Pd2 S4 -","- C30 H44 Cl2 N4 O8 P2 Pd2 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","Halogen anion-induced formation of [(PdLX)(2)] (X = Cl(-), Br(-), I(-)) vs. [PdL(2)] (L = [6-MeO(O)CC(6)H(4)NHC(S)NP(S)(OiPr)(2)](-)): Reversible photoinduced cis/trans isomerization of [PdL(2)].","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4324","4327","10.1039/c2dt12466a","","","0.71073","MoKα","","0.0836","0.0654","","","0.17","0.1819","","","","","","1.043","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018741","9.391","0.0005","9.6617","0.001","13.2526","0.0014","111.262","0.01","104.326","0.007","92.377","0.007","1074.23","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H52 N4 O10 P2 Pd S4 -","- C34 H52 N4 O10 P2 Pd S4 -","- C34 H52 N4 O10 P2 Pd S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","Halogen anion-induced formation of [(PdLX)(2)] (X = Cl(-), Br(-), I(-)) vs. [PdL(2)] (L = [6-MeO(O)CC(6)H(4)NHC(S)NP(S)(OiPr)(2)](-)): Reversible photoinduced cis/trans isomerization of [PdL(2)].","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4324","4327","10.1039/c2dt12466a","","","0.71073","MoKα","","0.0356","0.0304","","","0.0799","0.0824","","","","","","1.043","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018742","17.1751","0.0009","12.4098","0.0011","8.8522","0.0009","90","","90","","90","","1886.8","0.3","150","1","150","1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H31 Cl N2 Sn -","- C17 H31 Cl N2 Sn -","- C68 H124 Cl4 N8 Sn4 -","4","0.5","","Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš","Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5010","5019","10.1039/c2dt12472f","","","0.71073","MoKα","","0.0312","0.027","","","0.0554","0.0574","","","","","","1.127","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018743","10.576","0.0009","15.248","0.0006","15.1009","0.0011","90","","98.247","0.007","90","","2410","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H39 I N2 -","- C23 H39 I N2 -","- C92 H156 I4 N8 -","4","1","","Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš","Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5010","5019","10.1039/c2dt12472f","","","0.71073","MoKα","","0.047","0.0301","","","0.0571","0.0662","","","","","","1.139","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018744","9.845","0.001","28.878","0.002","10.654","0.0008","90","","104.068","0.007","90","","2938.1","0.4","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H43 Cl N2 Sn -","- C29 H43 Cl N2 Sn -","- C116 H172 Cl4 N8 Sn4 -","4","2","","Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš","Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5010","5019","10.1039/c2dt12472f","","","0.71073","MoKα","","0.1003","0.0707","","","0.1534","0.1744","","","","","","1.075","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018745","23.5241","0.0009","17.871","0.0011","16.6439","0.0007","90","","123.122","0.012","90","","5860.1","0.9","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H92 Cl4 N8 O2 Sn4 -","- C44 H92 Cl4 N8 O2 Sn4 -","- C176 H368 Cl16 N32 O8 Sn16 -","4","0.5","","Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš","Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5010","5019","10.1039/c2dt12472f","","","0.71073","MoKα","","0.0882","0.0491","","","0.069","0.0804","","","","","","1.188","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018746","40.6731","0.0002","40.6731","0.0002","9.535","0.0004","90","","90","","120","","13660.5","0.6","150","1","150","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.67 H44.67 Cl Ge N2 O0.17 -","- C29 H43 Cl Ge N2 -","- C522 H774 Cl18 Ge18 N36 -","18","1","","Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš","Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5010","5019","10.1039/c2dt12472f","","","0.71073","MoKα","","0.1127","0.0675","","","0.121","0.1372","","","","","","1.076","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018747","12.995","0.005","17.454","0.007","17.839","0.008","66.38","0.02","69.34","0.03","72.11","0.03","3403","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H94 Co14 N14 O28 -","- C90 H94 Co14 N14 O28 -","- C90 H94 Co14 N14 O28 -","1","0.5","","Peng, Yan; Tian, Chong-Bin; Zhang, Hua-Bin; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structure and magnetic study of a novel mixed-valent Co(II)(10)Co(III)(4) shield constructed by mixed pyridine-alcoholate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4740","4743","10.1039/c2dt12487d","","","0.71073","MoKα","","","0.0593","","","0.174","0.1882","","","","","","1.016","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018748","11.1959","0.0014","22.689","0.003","11.9788","0.0015","90","","104.885","0.002","90","","2940.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cu I N4 S -","- C13 H11 Cu I N4 S -","- C104 H88 Cu8 I8 N32 S8 -","8","1","","Lobana, Tarlok S.; Khanna, Sonia; Butcher, Ray J.","2-Benzoylpyridine thiosemicarbazone as a novel reagent for the single pot synthesis of dinuclear Cu(I)-Cu(II) complexes: formation of stable copper(ii)-iodide bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4845","4851","10.1039/c2dt30068k","","","0.71073","MoKα","","0.0409","0.0343","","","0.0871","0.0907","","","","","","1.053","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7018749","11.7052","0.0006","12.3415","0.0004","13.1671","0.0005","62.76","0.004","64.62","0.004","67.984","0.004","1489.66","0.13","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 Cu2 I2 N8 P2 S2 -","- C62 H54 Cu2 I2 N8 P2 S2 -","- C62 H54 Cu2 I2 N8 P2 S2 -","1","0.5","","Lobana, Tarlok S.; Khanna, Sonia; Butcher, Ray J.","2-Benzoylpyridine thiosemicarbazone as a novel reagent for the single pot synthesis of dinuclear Cu(I)-Cu(II) complexes: formation of stable copper(ii)-iodide bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4845","4851","10.1039/c2dt30068k","","","0.71073","MoKα","","0.0802","0.0382","","","0.0758","0.0873","","","","","","0.935","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018750","10.9775","0.0012","22.299","0.002","11.93","0.0013","90","","106.245","0.002","90","","2803.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Br Cu N4 S -","- C13 H11 Br Cu N4 S -","- C104 H88 Br8 Cu8 N32 S8 -","8","1","","Lobana, Tarlok S.; Khanna, Sonia; Butcher, Ray J.","2-Benzoylpyridine thiosemicarbazone as a novel reagent for the single pot synthesis of dinuclear Cu(I)-Cu(II) complexes: formation of stable copper(ii)-iodide bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4845","4851","10.1039/c2dt30068k","","","0.71073","MoKα","","0.0305","0.0237","","","0.0559","0.0584","","","","","","1.034","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7018751","11.8176","0.0018","12.2666","0.0017","12.9683","0.0019","61.805","0.015","65.714","0.014","67.653","0.014","1469.2","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 Br2 Cu2 N8 P2 S2 -","- C62 H54 Br2 Cu2 N8 P2 S2 -","- C62 H54 Br2 Cu2 N8 P2 S2 -","1","0.5","","Lobana, Tarlok S.; Khanna, Sonia; Butcher, Ray J.","2-Benzoylpyridine thiosemicarbazone as a novel reagent for the single pot synthesis of dinuclear Cu(I)-Cu(II) complexes: formation of stable copper(ii)-iodide bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4845","4851","10.1039/c2dt30068k","","","0.71073","MoKα","","0.1302","0.0336","","","0.0546","0.0748","","","","","","0.864","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018752","11.5317","0.0003","11.5931","0.0003","16.3072","0.0004","78.348","0.001","77.851","0.001","62.265","0.001","1872.71","0.08","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 B3 Fe4 Mo2 O10 Se2 -","- C30 H30 B3 Fe4 Mo2 O10 Se2 -","- C60 H60 B6 Fe8 Mo4 O20 Se4 -","2","1","","Ponniah S, Joseph; Kumar Bose, Shubhankar; Ghosh, Sundargopal","An eleven-vertex metallaborane with tetracapped pentagonal bipyramidal geometry.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3627","3629","10.1039/c2dt30087g","","","0.71073","MoKα","","0.0675","0.0346","","","0.0638","0.0753","","","","","","0.999","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018753","11.7709","0.0003","16.8531","0.0004","17.1305","0.0003","90","","108.137","0.001","90","","3229.44","0.13","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 B Fe2 Mo2 O7 Se2 -","- C27 H31 B Fe2 Mo2 O7 Se2 -","- C108 H124 B4 Fe8 Mo8 O28 Se8 -","4","1","","Ponniah S, Joseph; Kumar Bose, Shubhankar; Ghosh, Sundargopal","An eleven-vertex metallaborane with tetracapped pentagonal bipyramidal geometry.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3627","3629","10.1039/c2dt30087g","","","0.71073","MoKα","","0.0798","0.0386","","","0.0694","0.0839","","","","","","1.009","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018754","10.6487","0.001","11.7585","0.0011","13.4318","0.0012","90.607","0.002","93.675","0.002","106.769","0.002","1606.3","0.3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 N2 -","- C38 H46 N2 -","- C76 H92 N4 -","2","1","","Pöllnitz, Alpar; Silvestru, Cristian; Carpentier, Jean-François; Silvestru, Anca","Diorganodiselenides and zinc(ii) organoselenolates containing (imino)aryl groups of type 2-(RN[double bond, length as m-dash]CH)C(6)H(4).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5060","5070","10.1039/c2dt30098b","","","0.71073","MoKα","","0.1026","0.0799","","","0.1532","0.1622","","","","","","1.196","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018755","13.398","0.005","14.424","0.006","13.532","0.005","90","","110.608","0.007","90","","2447.8","1.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 Se2 Zn -","- C28 H24 N2 Se2 Zn -","- C112 H96 N8 Se8 Zn4 -","4","1","","Pöllnitz, Alpar; Silvestru, Cristian; Carpentier, Jean-François; Silvestru, Anca","Diorganodiselenides and zinc(ii) organoselenolates containing (imino)aryl groups of type 2-(RN[double bond, length as m-dash]CH)C(6)H(4).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5060","5070","10.1039/c2dt30098b","","","0.71073","MoKα","","0.0768","0.0584","","","0.149","0.1604","","","","","","0.978","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018756","15.0512","0.0016","13.1067","0.0014","18.4747","0.0019","90","","101.281","0.002","90","","3574.1","0.7","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 N2 Se2 Zn -","- C38 H44 N2 Se2 Zn -","- C152 H176 N8 Se8 Zn4 -","4","0.5","","Pöllnitz, Alpar; Silvestru, Cristian; Carpentier, Jean-François; Silvestru, Anca","Diorganodiselenides and zinc(ii) organoselenolates containing (imino)aryl groups of type 2-(RN[double bond, length as m-dash]CH)C(6)H(4).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5060","5070","10.1039/c2dt30098b","","","0.71073","MoKα","","0.0851","0.066","","","0.119","0.1252","","","","","","1.211","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018757","10.852","0.0008","22.7903","0.0018","9.6203","0.0007","90","","90.152","0.001","90","","2379.3","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 Se2 -","- C28 H24 N2 Se2 -","- C112 H96 N8 Se8 -","4","1","","Pöllnitz, Alpar; Silvestru, Cristian; Carpentier, Jean-François; Silvestru, Anca","Diorganodiselenides and zinc(ii) organoselenolates containing (imino)aryl groups of type 2-(RN[double bond, length as m-dash]CH)C(6)H(4).","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5060","5070","10.1039/c2dt30098b","","","0.71073","MoKα","","0.0396","0.0291","","","0.0681","0.071","","","","","","1.053","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018758","9.8069","0.0001","16.2228","0.0002","27.3337","0.0003","90","","90","","90","","4348.67","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N2 O9 Ru3 -","- C16 H10 N2 O9 Ru3 -","- C128 H80 N16 O72 Ru24 -","8","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Pruneda, Vanessa","Deprotonation of C-alkyl groups of cationic N-heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4313","4315","10.1039/c2dt30246b","","","1.54184","CuKα","","0.0359","0.0326","","","0.0856","0.0884","","","","","","1.053","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018759","9.8219","0.0002","10.5531","0.0002","12.9125","0.0003","67.189","0.002","78.126","0.002","66.617","0.002","1130.27","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 N2 O9 Ru3 -","- C17 H12 N2 O9 Ru3 -","- C34 H24 N4 O18 Ru6 -","2","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Pruneda, Vanessa","Deprotonation of C-alkyl groups of cationic N-heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4313","4315","10.1039/c2dt30246b","","","1.54184","CuKα","","0.0289","0.0285","","","0.0754","0.0759","","","","","","1.076","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018760","7.578","0.004","10.822","0.005","28.38","0.014","90","","90","","90","","2327","2","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 N5 -","- C31 H21 N5 -","- C124 H84 N20 -","4","1","","Wang, Nan; Lu, Jia-Sheng; McCormick, Theresa M.; Wang, Suning","Ru-Pt and Ru-Pd heterobimetallic complexes based on a new ligand with two distinct chelate sites.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5553","5561","10.1039/c2dt00015f","","","0.71073","MoKα","","0.0991","0.0858","","","0.2113","0.22","","","","","","1.147","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018761","12.1096","0.0018","12.2832","0.0018","13.777","0.002","90","","90","","90","","2049.3","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 Pd -","- C24 H20 N2 O2 Pd -","- C96 H80 N8 O8 Pd4 -","4","1","","Wang, Nan; Lu, Jia-Sheng; McCormick, Theresa M.; Wang, Suning","Ru-Pt and Ru-Pd heterobimetallic complexes based on a new ligand with two distinct chelate sites.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5553","5561","10.1039/c2dt00015f","","","0.71073","MoKα","","0.072","0.0497","","","0.1159","0.1316","","","","","","1.074","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018762","12.451","0.003","13.754","0.003","22.913","0.005","77.77","0.03","89.49","0.03","67.38","0.03","3528.4","1.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H147 B32 N20 Na O134 V24 -","- C20 H124 B32 N20 Na O134 V24 -","- C20 H124 B32 N20 Na O134 V24 -","1","0.5","","Sun, Yan-Qiong; Li, Guang-Man; Chen, Yi-Ping","A novel polyoxovanadium borate incorporating an organic amine ligand: synthesis and structure of [V12B16O50(OH)7(en)]7−","Dalton Transactions","2012","41","19","5774","","10.1039/c2dt00018k","","","0.71073","MoKα","","0.0993","0.0882","","","0.2384","0.25","","","","","","1.049","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018763","8.0532","0.0004","9.476","0.0004","11.2338","0.0005","78.222","0.004","83.573","0.004","67.746","0.004","776.15","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H11 B Br2 F2 N2 O -","- C16 H11 B Br2 F2 N2 O -","- C32 H22 B2 Br4 F4 N4 O2 -","2","1","","Lakshmi, V.; Ravikanth, M.","Brominated boron dipyrrins: synthesis, structure, spectral and electrochemical properties","Dalton Transactions","2012","41","19","5903","","10.1039/c2dt00019a","","","0.71073","MoKα","","0.0269","0.0216","","","0.0584","0.0593","","","","","","1.075","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018764","7.8922","0.0004","11.1893","0.0006","11.3508","0.0005","73.442","0.004","74.044","0.004","84.062","0.004","923.44","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B Br4 F2 N2 O -","- C16 H9 B Br4 F2 N2 O -","- C32 H18 B2 Br8 F4 N4 O2 -","2","1","","Lakshmi, V.; Ravikanth, M.","Brominated boron dipyrrins: synthesis, structure, spectral and electrochemical properties","Dalton Transactions","2012","41","19","5903","","10.1039/c2dt00019a","","","0.71073","MoKα","","0.0593","0.0391","","","0.0795","0.0893","","","","","","1.058","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018765","8.9535","0.0017","19.702","0.004","11.172","0.003","90","","90.84","0.02","90","","1970.5","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 B Br5 F2 N2 O -","- C16 H8 B Br5 F2 N2 O -","- C64 H32 B4 Br20 F8 N8 O4 -","4","1","","Lakshmi, V.; Ravikanth, M.","Brominated boron dipyrrins: synthesis, structure, spectral and electrochemical properties","Dalton Transactions","2012","41","19","5903","","10.1039/c2dt00019a","","","0.71073","MoKα","","0.1842","0.0686","","","0.1528","0.1679","","","","","","0.863","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018766","8.2231","0.001","10.6391","0.001","10.7273","0.0006","105.58","0.007","92.262","0.007","106.758","0.009","858.64","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 B Br3 F2 N2 O -","- C16 H10 B Br3 F2 N2 O -","- C32 H20 B2 Br6 F4 N4 O2 -","2","1","","Lakshmi, V.; Ravikanth, M.","Brominated boron dipyrrins: synthesis, structure, spectral and electrochemical properties","Dalton Transactions","2012","41","19","5903","","10.1039/c2dt00019a","","","0.71073","MoKα","","0.0436","0.0298","","","0.0751","0.0777","","","","","","0.953","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018767","12.065","0.002","10.583","0.002","9.515","0.002","90","","94.61","0.005","90","","1211","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba Ca O7 P2 -","- Ba Ca O7 P2 -","- Ba8 Ca8 O56 P16 -","8","2","","Hill, Matthew R.; Bastow, Timothy J.; Bourgeois, Laure; Turner, David R.; Seeber, Aaron; McBean, Katie; Whitfield, Harold J.","A simple route to full structural analysis of biophosphates and their application to materials discovery.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5497","5501","10.1039/c2dt00023g","","","0.71079","synchrotron","","0.0754","0.057","","","0.1347","0.1486","","","","","","1.005","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018768","9.5178","0.0019","22.194","0.004","17.301","0.004","90","","92.38","0.03","90","","3651.5","1.3","223.15","","223.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 Cu F3 Fe N O P2 -","- C43 H35 Cu F3 Fe N O P2 -","- C172 H140 Cu4 F12 Fe4 N4 O4 P8 -","4","1","","Liu, Xinfang; Zhang, Songlin; Ding, Yuqiang","Synthesis, crystal structures and reactivity of copper(i) amidate complexes with aryl halides: insight into copper(i)-catalyzed Goldberg reaction","Dalton Transactions","2012","41","19","5897","","10.1039/c2dt00050d","","","0.71073","MoKα","","0.1055","0.0726","","","0.1121","0.1239","","","","","","1.148","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018769","9.5154","0.0019","22.267","0.005","17.178","0.003","90","","92.8","0.03","90","","3635.3","1.3","223.15","","223.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Cl Cu F3 Fe N O P2 -","- C42 H32 Cl Cu F3 Fe N O P2 -","- C168 H128 Cl4 Cu4 F12 Fe4 N4 O4 P8 -","4","1","","Liu, Xinfang; Zhang, Songlin; Ding, Yuqiang","Synthesis, crystal structures and reactivity of copper(i) amidate complexes with aryl halides: insight into copper(i)-catalyzed Goldberg reaction","Dalton Transactions","2012","41","19","5897","","10.1039/c2dt00050d","","","0.710747","MoKα","","0.0717","0.0566","","","0.1169","0.1249","","","","","","1.168","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018770","11.7014","0.0015","17.02","0.002","16.704","0.002","90","","97.876","0.002","90","","3295.4","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N2 Th -","- C36 H50 N2 Th -","- C144 H200 N8 Th4 -","4","1","","Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.","A bipyridyl thorium metallocene: synthesis, structure and reactivity","Dalton Transactions","2012","41","19","5965","","10.1039/c2dt00051b","","","0.71073","MoKα","","0.0871","0.0548","","","0.1114","0.1237","","","","","","1.079","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018771","19.672","0.003","16.5","0.002","8.6722","0.0011","90","","98.197","0.003","90","","2786.1","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Br2 Th -","- C26 H42 Br2 Th -","- C104 H168 Br8 Th4 -","4","1","","Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.","A bipyridyl thorium metallocene: synthesis, structure and reactivity","Dalton Transactions","2012","41","19","5965","","10.1039/c2dt00051b","","","0.71073","MoKα","","0.0722","0.0429","","","0.0739","0.0837","","","","","","0.983","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018772","19.495","0.002","16.7311","0.0019","8.8954","0.001","90","","97.321","0.002","90","","2877.8","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 I2 Th -","- C26 H42 I2 Th -","- C104 H168 I8 Th4 -","4","1","","Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.","A bipyridyl thorium metallocene: synthesis, structure and reactivity","Dalton Transactions","2012","41","19","5965","","10.1039/c2dt00051b","","","0.71073","MoKα","","0.0707","0.0438","","","0.0823","0.0925","","","","","","0.994","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018773","12.145","0.0012","13.749","0.0014","17.283","0.0019","102.725","0.01","96.148","0.009","91.443","0.007","2795.3","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H71 F5 N2 Th2 -","- C49 H71 F5 N2 Th2 -","- C98 H142 F10 N4 Th4 -","2","1","","Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.","A bipyridyl thorium metallocene: synthesis, structure and reactivity","Dalton Transactions","2012","41","19","5965","","10.1039/c2dt00051b","","","0.71075","MoKα","","0.0442","0.0306","","","0.0567","0.0596","","","","","","0.97","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018774","12.0333","0.0016","16.165","0.002","19.461","0.003","90","","104.175","0.002","90","","3670.3","0.9","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C38 H52 Se2 Th -","- C38 H52 Se2 Th -","- C152 H208 Se8 Th4 -","4","2","","Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.","A bipyridyl thorium metallocene: synthesis, structure and reactivity","Dalton Transactions","2012","41","19","5965","","10.1039/c2dt00051b","","","0.71073","MoKα","","0.0535","0.0428","","","0.0905","0.0954","","","","","","1.021","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018775","13.0783","0.0008","14.466","0.001","17.689","0.0015","82.529","0.005","83.11","0.005","70.635","0.004","3119.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H84 S6 Th2 -","- C54 H84 S6 Th2 -","- C108 H168 S12 Th4 -","2","1","","Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.","A bipyridyl thorium metallocene: synthesis, structure and reactivity","Dalton Transactions","2012","41","19","5965","","10.1039/c2dt00051b","","","0.71075","MoKα","","0.0348","0.0278","","","0.0569","0.0589","","","","","","0.999","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018776","18.3489","0.0002","18.8537","0.0002","21.0286","0.0002","90","","90","","90","","7274.73","0.13","140","1","140","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","[N(CH3)4][{(C6F5)3B}NTiCl2(NH(CH3)2)], CH2Cl2","","","- C27 H28 B Cl4 F15 N4 Ti -","- C27 H28 B Cl4 F15 N4 Ti -","- C216 H224 B8 Cl32 F120 N32 Ti8 -","8","1","","Fuller, Anna-Marie; Hughes, David L.; Jones, Garth A.; Lancaster, Simon J.","The structure and chemistry of tris(pentafluorophenyl)borane protected mononuclear nitridotitanium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5599","5609","10.1039/c2dt00056c","","","0.71073","Mo-Kα","","0.0775","0.054","","","0.1349","0.1463","","","","","","1.079","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018777","9.5648","0.0004","16.7568","0.0008","16.9895","0.0008","100.283","0.004","97.544","0.004","103.714","0.004","2559.6","0.2","140","1","140","1","","","","","","","","8","P -1","-P 1","2","[P(C6H5)4][{(C6F5)3BN}TiCl2{NH(CH3)2}2]","","","- C53 H42 B Cl2 F15 N3 P Ti -","- C53 H42 B Cl2 F15 N3 P Ti -","- C106 H84 B2 Cl4 F30 N6 P2 Ti2 -","2","1","","Fuller, Anna-Marie; Hughes, David L.; Jones, Garth A.; Lancaster, Simon J.","The structure and chemistry of tris(pentafluorophenyl)borane protected mononuclear nitridotitanium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5599","5609","10.1039/c2dt00056c","","","0.71073","Mo-Kα","","0.1182","0.0559","","","0.077","0.0901","","","","","","0.992","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018778","11.74","0.0003","12.8773","0.0003","16.3677","0.0004","104.704","0.002","92.609","0.002","99.717","0.002","2348.93","0.1","140","1","140","1","","","","","","","","8","P -1","-P 1","2","[P(C6H5)3{CH2(C6H5)}][{(C6F5)3BN}TiCl2{NH(CH3)2}]","","","- C47 H36 B Cl2 F15 N3 P Ti -","- C47 H36 B Cl2 F15 N3 P Ti -","- C94 H72 B2 Cl4 F30 N6 P2 Ti2 -","2","1","","Fuller, Anna-Marie; Hughes, David L.; Jones, Garth A.; Lancaster, Simon J.","The structure and chemistry of tris(pentafluorophenyl)borane protected mononuclear nitridotitanium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5599","5609","10.1039/c2dt00056c","","","0.71073","Mo-Kα","","0.0744","0.0429","","","0.0786","0.0849","","","","","","0.958","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018779","10.726","0.0002","11.7585","0.0002","16.2804","0.0002","98.83","0.001","104.445","0.001","92.666","0.001","1957.1","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H12 N4 O8 -","- C22 H12 N4 O8 -","- C88 H48 N16 O32 -","4","2","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.0474","0.0364","","","0.0988","0.1079","","","","","","1.027","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018780","15.8522","0.0006","12.9196","0.0005","14.5605","0.0005","90","","95.99","0.001","90","","2965.77","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 O8 -","- C32 H22 N6 O8 -","- C128 H88 N24 O32 -","4","1","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.0551","0.0403","","","0.1002","0.1151","","","","","","1.081","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018781","17.3714","0.0007","24.5657","0.0006","12.4327","0.0003","90","","90","","90","","5305.5","0.3","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C192 H176 N80 O64 -","16","1","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.0243","0.0236","","","0.0638","0.0646","","","","","","1.053","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018782","18.4288","0.0008","14.0202","0.0006","14.9352","0.0006","90","","101.339","0.001","90","","3783.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Ag B F4 N7 O10 -","- C34 H33 Ag B F4 N7 O10 -","- C136 H132 Ag4 B4 F16 N28 O40 -","4","1","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.0375","0.035","","","0.0913","0.0946","","","","","","1.044","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018783","9.3423","0.0003","13.8845","0.0004","15.2876","0.0004","70.116","0.001","85.99","0.004","71.108","0.002","1762.53","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 Cl4 Cu2 N12 O26 -","- C64 H72 Cl4 Cu2 N12 O26 -","- C64 H72 Cl4 Cu2 N12 O26 -","1","0.5","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.0448","0.0399","","","0.1074","0.1115","","","","","","1.046","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018784","20.2076","0.0006","15.5977","0.0005","31.7601","0.001","90","","90","","90","","10010.5","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C96 H54 Cl4 Cu2 N16 O32 -","- C96 H54 Cl4 Cu2 N16 O32 -","- C384 H216 Cl16 Cu8 N64 O128 -","4","0.5","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.101","0.0787","","","0.2244","0.2534","","","","","","1.055","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018785","17.9673","0.0007","20.9503","0.0008","13.7307","0.0005","90","","109.496","0.001","90","","4872.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H40 N8 O21 Zn -","- C49 H40 N8 O21 Zn -","- C196 H160 N32 O84 Zn4 -","4","1","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.064","0.0479","","","0.1228","0.1391","","","","","","1.06","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018786","19.8537","0.0008","19.8537","0.0008","67.448","0.005","90","","90","","120","","23024","2","173","1","173","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C25 H37 N2 O4 V -","- C25 H37 N2 O4 V -","- C900 H1332 N72 O144 V36 -","36","1","","Reytman, Lilia; Braitbard, Ori; Tshuva, Edit Y.","Highly cytotoxic vanadium(v) complexes of salan ligands; insights on the role of hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5241","5247","10.1039/c2dt11514j","","","0.71073","MoKα","","0.1314","0.1157","","","0.1853","0.1915","","","","","","1.392","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018787","11.7043","0.0012","24.115","0.003","19.876","0.002","90","","101.532","0.002","90","","5496.7","1","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 N4 O7 V2 -","- C58 H60 N4 O7 V2 -","- C232 H240 N16 O28 V8 -","4","0.5","","Reytman, Lilia; Braitbard, Ori; Tshuva, Edit Y.","Highly cytotoxic vanadium(v) complexes of salan ligands; insights on the role of hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5241","5247","10.1039/c2dt11514j","","","0.71073","MoKα","","0.1534","0.1199","","","0.2447","0.2613","","","","","","1.271","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018788","9.874","0.001","13.415","0.001","15.872","0.001","93.293","0.001","101.481","0.001","105.439","0.001","1972.4","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C91 H106 Cl2 Fe4 O2 P4 -","- C91 H106 Cl2 Fe4 O2 P4 -","- C91 H106 Cl2 Fe4 O2 P4 -","1","0.5","","Carmichael, Duncan; le Goff, Xavier F.; Muller, Eric; Ricard, Louis; Stankevič, Marek","Diastereoselective synthesis and coordination chemistry of enantiopure keto-bis-(2-phosphametallocene)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5155","5162","10.1039/c2dt11647b","","","0.71069","MoKα","","0.0472","0.0366","","","0.097","0.1093","","","","","","1.048","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018789","11.427","0.001","13.624","0.001","17.85","0.001","90","","90.415","0.001","90","","2778.8","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H71 Cl5 O P2 Ru3 -","- C57 H71 Cl5 O P2 Ru3 -","- C114 H142 Cl10 O2 P4 Ru6 -","2","1","","Carmichael, Duncan; le Goff, Xavier F.; Muller, Eric; Ricard, Louis; Stankevič, Marek","Diastereoselective synthesis and coordination chemistry of enantiopure keto-bis-(2-phosphametallocene)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5155","5162","10.1039/c2dt11647b","","","0.71069","MoKα","","0.0538","0.0417","","","0.0967","0.1018","","","","","","1.012","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018790","11.357","0.001","13.49","0.001","17.956","0.001","90","","90.11","0.001","90","","2751","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H71 Cl5 Fe O P2 Ru2 -","- C57 H71 Cl5 Fe O P2 Ru2 -","- C114 H142 Cl10 Fe2 O2 P4 Ru4 -","2","1","","Carmichael, Duncan; le Goff, Xavier F.; Muller, Eric; Ricard, Louis; Stankevič, Marek","Diastereoselective synthesis and coordination chemistry of enantiopure keto-bis-(2-phosphametallocene)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5155","5162","10.1039/c2dt11647b","","","0.71069","MoKα","","0.082","0.0494","","","0.0897","0.1","","","","","","0.947","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018791","9.98","0.001","15.62","0.001","26.652","0.001","90","","90","","90","","4154.7","0.5","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H52 Cl2 Fe O P2 Pt Ru -","- C45 H52 Cl2 Fe O P2 Pt Ru -","- C180 H208 Cl8 Fe4 O4 P8 Pt4 Ru4 -","4","1","","Carmichael, Duncan; le Goff, Xavier F.; Muller, Eric; Ricard, Louis; Stankevič, Marek","Diastereoselective synthesis and coordination chemistry of enantiopure keto-bis-(2-phosphametallocene)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5155","5162","10.1039/c2dt11647b","","","0.71069","MoKα","","0.0616","0.0394","","","0.0769","0.0845","","","","","","0.975","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018792","8.5501","0.0017","20.249","0.004","13.002","0.003","90","","100.53","0.03","90","","2213.1","0.8","168.15","","168.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 F6 N4 O6 S2 Se2 -","- C12 H16 F6 N4 O6 S2 Se2 -","- C48 H64 F24 N16 O24 S8 Se8 -","4","1","","Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L.","Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5248","5259","10.1039/c2dt11731b","","x-ray","0.71073","MoKα","","0.0383","0.0346","","","0.0839","0.087","","","","","","1.125","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018793","11.611","0.002","21.563","0.004","11.669","0.002","90","","98.95","0.03","90","","2886","0.9","168.15","","168.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 F6 N6 O6 S2 Se3 -","- C17 H24 F6 N6 O6 S2 Se3 -","- C68 H96 F24 N24 O24 S8 Se12 -","4","1","","Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L.","Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5248","5259","10.1039/c2dt11731b","","x-ray","0.71073","MoKα","","0.0594","0.0485","","","0.1252","0.1348","","","","","","1.11","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018794","8.5235","0.0017","19.874","0.004","12.926","0.003","90","","98.29","0.03","90","","2166.7","0.8","168.15","","168.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 F6 N4 O6 S4 -","- C12 H16 F6 N4 O6 S4 -","- C48 H64 F24 N16 O24 S16 -","4","1","","Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L.","Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5248","5259","10.1039/c2dt11731b","","x-ray","0.71073","MoKα","","0.0568","0.0471","","","0.1192","0.1304","","","","","","1.105","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018795","15.196","0.003","24.359","0.005","15.26","0.003","90","","116.96","0.03","90","","5035","2","168.15","","168.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Cu F6 N10 O7 S2 Se2 -","- C39 H60 Cu F6 N10 O7 S2 Se2 -","- C156 H240 Cu4 F24 N40 O28 S8 Se8 -","4","1","","Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L.","Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5248","5259","10.1039/c2dt11731b","","x-ray","0.71073","MoKα","","0.0996","0.0767","","","0.1972","0.2161","","","","","","1.071","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018796","14.406","0.002","14.406","0.002","15.906","0.003","90","","90","","90","","3301","0.9","293","2","293","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C21 H32 Cu F3 N8 O3 S Se4 -","- C21 H32 Cu F3 N8 O3 S Se4 -","- C84 H128 Cu4 F12 N32 O12 S4 Se16 -","4","0.25","","Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L.","Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5248","5259","10.1039/c2dt11731b","","x-ray","0.71073","MoKα","","0.0896","0.0751","","","0.1928","0.2097","","","","","","1.097","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018797","7.0907","0.0014","12.573","0.003","14.911","0.003","97.87","0.03","99","0.03","103.05","0.03","1258.4","0.5","168.15","","168.15","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Cu F3 N6 O3 S4 -","- C16 H24 Cu F3 N6 O3 S4 -","- C32 H48 Cu2 F6 N12 O6 S8 -","2","1","","Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L.","Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5248","5259","10.1039/c2dt11731b","","x-ray","0.71073","MoKα","","0.0613","0.0454","","","0.108","0.1217","","","","","","1.053","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018798","8.13","0.0016","11.393","0.002","23.339","0.005","90","","97.6","0.03","90","","2142.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Au N4 O4 P -","- C21 H16 Au N4 O4 P -","- C84 H64 Au4 N16 O16 P4 -","4","1","","Galassi, Rossana; Burini, Alfredo; Ricci, Simone; Pellei, Maura; Rigobello, Maria Pia; Citta, Anna; Dolmella, Alessandro; Gandin, Valentina; Marzano, Cristina","Synthesis and characterization of azolate gold(i) phosphane complexes as thioredoxin reductase inhibiting antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5307","5318","10.1039/c2dt11781a","","","0.71073","MoKα","","0.0412","0.0343","","","0.0887","0.0972","","","","","","1.364","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018799","14.633","0.004","9.092","0.002","35.389","0.005","90","","97.79","0.03","90","","4664.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Au F6 N2 P -","- C23 H16 Au F6 N2 P -","- C184 H128 Au8 F48 N16 P8 -","8","2","","Galassi, Rossana; Burini, Alfredo; Ricci, Simone; Pellei, Maura; Rigobello, Maria Pia; Citta, Anna; Dolmella, Alessandro; Gandin, Valentina; Marzano, Cristina","Synthesis and characterization of azolate gold(i) phosphane complexes as thioredoxin reductase inhibiting antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5307","5318","10.1039/c2dt11781a","","","0.71073","MoKα","","0.06","0.0368","","","0.0891","0.0979","","","","","","0.932","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018800","9.807","0.0001","24.4502","0.0003","12.8128","0.0002","90","","104.704","0.002","90","","2971.68","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C62 H51 Cl2 N10 O2 P2 Ru -","- C62 H50 Cl2 N10 O2 P2 Ru -","- C124 H100 Cl4 N20 O4 P4 Ru2 -","2","0.5","","Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Lee, Gene-Hsiang; Peng, Shie-Ming; Yiu, Shek-Man; Gao, Song; Lau, Tai-Chu","A novel triazidoruthenium(iii) building block for the construction of polynuclear compounds","Dalton Transactions","2012","41","19","5794","","10.1039/c2dt11810f","","","1.54178","CuKα","","0.0602","0.0564","","","0.1711","0.1741","","","","","","1.09","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018801","11.4815","0.0003","11.8715","0.0003","17.2232","0.0004","108.342","0.0013","91.5545","0.0015","111.716","0.0011","2042.54","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Co N6 O12 Ru2 -","- C34 H48 Co N6 O12 Ru2 -","- C68 H96 Co2 N12 O24 Ru4 -","2","1","","Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Lee, Gene-Hsiang; Peng, Shie-Ming; Yiu, Shek-Man; Gao, Song; Lau, Tai-Chu","A novel triazidoruthenium(iii) building block for the construction of polynuclear compounds","Dalton Transactions","2012","41","19","5794","","10.1039/c2dt11810f","","","0.71073","MoKα","","0.0881","0.0472","","","0.1098","0.1309","","","","","","1.043","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018802","11.4249","0.0006","11.8191","0.0005","17.1649","0.0007","108.293","0.003","91.44","0.003","111.629","0.003","2019.52","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H96 N12 Ni2 O24 Ru4 -","- C68 H96 N12 Ni2 O24 Ru4 -","- C68 H96 N12 Ni2 O24 Ru4 -","1","0.5","","Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Lee, Gene-Hsiang; Peng, Shie-Ming; Yiu, Shek-Man; Gao, Song; Lau, Tai-Chu","A novel triazidoruthenium(iii) building block for the construction of polynuclear compounds","Dalton Transactions","2012","41","19","5794","","10.1039/c2dt11810f","","","0.71073","MoKα","","0.0978","0.058","","","0.1468","0.1671","","","","","","1.057","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018803","16.4565","0.0005","44.4015","0.0013","29.1759","0.0008","90","","102.055","0.001","90","","20848.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 B Cu F4 N4 -","- C60 H56 B Cu F4 N4 -","- C960 H896 B16 Cu16 F64 N64 -","16","4","","Li, Lidong; Lopes, Patrícia S; Rosa, Vitor; Figueira, Cláudia A; Lemos, M Amélia N D A; Duarte, M. Teresa; Avilés, Teresa; Gomes, Pedro T.","Synthesis and structural characterisation of (aryl-BIAN)copper(i) complexes and their application as catalysts for the cycloaddition of azides and alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5144","5154","10.1039/c2dt11854h","","x-ray","0.71073","MoKα","","0.1852","0.0755","","","0.1879","0.2238","","","","","","0.995","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018804","17.598","0.0013","21.498","0.002","27.979","0.002","90","","90","","90","","10585.1","1.5","150","2","150","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C60.5 H57 B Cl Cu F4 N4 -","- C60 H56 B Cu F4 N4 -","- C480 H448 B8 Cu8 F32 N32 -","8","0.25","","Li, Lidong; Lopes, Patrícia S; Rosa, Vitor; Figueira, Cláudia A; Lemos, M Amélia N D A; Duarte, M. Teresa; Avilés, Teresa; Gomes, Pedro T.","Synthesis and structural characterisation of (aryl-BIAN)copper(i) complexes and their application as catalysts for the cycloaddition of azides and alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5144","5154","10.1039/c2dt11854h","","x-ray","0.71073","MoKα","","0.0618","0.046","","","0.1187","0.1265","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018805","24.8522","0.0014","11.9094","0.0007","32.6051","0.0019","90","","105.304","0.002","90","","9308.1","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50.3 H50.6 B Cl0.6 Cu F4 N4 -","- C50 H50 B Cu F4 N4 -","- C400 H400 B8 Cu8 F32 N32 -","8","2","","Li, Lidong; Lopes, Patrícia S; Rosa, Vitor; Figueira, Cláudia A; Lemos, M Amélia N D A; Duarte, M. Teresa; Avilés, Teresa; Gomes, Pedro T.","Synthesis and structural characterisation of (aryl-BIAN)copper(i) complexes and their application as catalysts for the cycloaddition of azides and alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5144","5154","10.1039/c2dt11854h","","x-ray","0.71073","MoKα","","0.1502","0.0589","","","0.1385","0.1502","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018806","17.5292","0.0007","24.6971","0.001","26.766","0.0011","90","","90","","90","","11587.5","0.8","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C67 H60 B Cl2 Cu F4 N2 P2 -","- C67 H60 B Cl2 Cu F4 N2 P2 -","- C536 H480 B8 Cl16 Cu8 F32 N16 P16 -","8","1","","Li, Lidong; Lopes, Patrícia S; Rosa, Vitor; Figueira, Cláudia A; Lemos, M Amélia N D A; Duarte, M. Teresa; Avilés, Teresa; Gomes, Pedro T.","Synthesis and structural characterisation of (aryl-BIAN)copper(i) complexes and their application as catalysts for the cycloaddition of azides and alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5144","5154","10.1039/c2dt11854h","","x-ray","0.71073","MoKα","","0.0795","0.0435","","","0.1178","0.1328","","","","","","1.07","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018807","8.8212","0.0007","10.2954","0.0008","16.294","0.0012","77.855","0.006","77.051","0.007","67.397","0.007","1318.62","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 F6 N6 O P Ru -","- C26 H21 F6 N6 O P Ru -","- C52 H42 F12 N12 O2 P2 Ru2 -","2","1","","Cadranel, Alejandro; Alborés, Pablo; Yamazaki, Shiori; Kleiman, Valeria D.; Baraldo, Luis M.","Efficient energy transfer via the cyanide bridge in dinuclear complexes containing Ru(ii) polypyridine moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5343","5350","10.1039/c2dt11869f","","","0.71073","MoKα","","0.0485","0.0416","","","0.1093","0.1159","","","","","","1.037","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018808","16.2142","0.0008","20.1734","0.0009","17.247","0.0008","90","","111.311","0.005","90","","5255.7","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 F12 N18 O5 P2 Ru2 -","- C42 H36 F12 N18 O5 P2 Ru2 -","- C168 H144 F48 N72 O20 P8 Ru8 -","4","0.5","","Cadranel, Alejandro; Alborés, Pablo; Yamazaki, Shiori; Kleiman, Valeria D.; Baraldo, Luis M.","Efficient energy transfer via the cyanide bridge in dinuclear complexes containing Ru(ii) polypyridine moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5343","5350","10.1039/c2dt11869f","","","0.71073","MoKα","","0.0785","0.0636","","","0.1697","0.1899","","","","","","1.114","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018809","8.85","0.005","10.115","0.005","16.037","0.005","77.086","0.005","78.323","0.005","70.776","0.005","1308.3","1.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H19 F6 N6 P Ru S -","- C26 H19 F6 N6 P Ru S -","- C52 H38 F12 N12 P2 Ru2 S2 -","2","1","","Cadranel, Alejandro; Alborés, Pablo; Yamazaki, Shiori; Kleiman, Valeria D.; Baraldo, Luis M.","Efficient energy transfer via the cyanide bridge in dinuclear complexes containing Ru(ii) polypyridine moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5343","5350","10.1039/c2dt11869f","","","0.71069","MoKα","","0.1835","0.1238","","","0.3379","0.3574","","","","","","1.056","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018810","8.623","0.0002","10.4796","0.0002","14.7558","0.0004","87.312","0.002","81.518","0.002","73.325","0.002","1263.36","0.05","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 F6 N9 P Ru S -","- C21 H18 F6 N9 P Ru S -","- C42 H36 F12 N18 P2 Ru2 S2 -","2","1","","Cadranel, Alejandro; Alborés, Pablo; Yamazaki, Shiori; Kleiman, Valeria D.; Baraldo, Luis M.","Efficient energy transfer via the cyanide bridge in dinuclear complexes containing Ru(ii) polypyridine moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5343","5350","10.1039/c2dt11869f","","","0.71069","MoKα","","0.0455","0.0372","","","0.0984","0.1019","","","","","","1.032","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018811","12.9718","0.0018","13.3882","0.0012","17.29","0.002","102.217","0.009","96.54","0.011","113.41","0.011","2626.7","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 Fe N11 O4 P Ru -","- C55 H39 Fe N11 O4 P Ru -","- C110 H78 Fe2 N22 O8 P2 Ru2 -","2","1","","Cadranel, Alejandro; Alborés, Pablo; Yamazaki, Shiori; Kleiman, Valeria D.; Baraldo, Luis M.","Efficient energy transfer via the cyanide bridge in dinuclear complexes containing Ru(ii) polypyridine moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5343","5350","10.1039/c2dt11869f","","","0.71069","MoKα","","0.11","0.0678","","","0.1673","0.1998","","","","","","1.064","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018812","11.1358","0.0002","13.397","0.0002","19.2367","0.0003","88.057","0.001","76.142","0.001","81.981","0.001","2759.07","0.08","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 Fe N14 O9 P Ru -","- C50 H38 Fe N14 O9 P Ru -","- C100 H76 Fe2 N28 O18 P2 Ru2 -","2","1","","Cadranel, Alejandro; Alborés, Pablo; Yamazaki, Shiori; Kleiman, Valeria D.; Baraldo, Luis M.","Efficient energy transfer via the cyanide bridge in dinuclear complexes containing Ru(ii) polypyridine moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5343","5350","10.1039/c2dt11869f","","","0.71073","MoKα","","0.0436","0.035","","","0.1064","0.1106","","","","","","1.082","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018813","12.9762","0.0002","13.3785","0.0002","17.4059","0.0003","101.84","0.002","96.319","0.001","114.081","0.002","2635.77","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 Cr N11 O5 P Ru -","- C55 H39 Cr N11 O5 P Ru -","- C110 H78 Cr2 N22 O10 P2 Ru2 -","2","1","","Cadranel, Alejandro; Alborés, Pablo; Yamazaki, Shiori; Kleiman, Valeria D.; Baraldo, Luis M.","Efficient energy transfer via the cyanide bridge in dinuclear complexes containing Ru(ii) polypyridine moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5343","5350","10.1039/c2dt11869f","","","0.7107","MoKα","","0.0652","0.0382","","","0.0969","0.1061","","","","","","0.961","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018814","15.379","0.003","16.291","0.003","23.329","0.005","90","","90","","90","","5845","2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 B2 F8 Fe N10 -","- C26 H18 B2 F8 Fe N10 -","- C208 H144 B16 F64 Fe8 N80 -","8","2","","Salitroš, Ivan; Fuhr, Olaf; Eichhöfer, Andreas; Kruk, Robert; Pavlik, Ján; Dlháň, Lubor; Boča, Roman; Ruben, Mario","The interplay of iron(ii) spin transition and polymorphism.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5163","5171","10.1039/c2dt11906d","","","0.71073","MoKα","","0.1072","0.0498","","","0.0709","0.082","","","","","","0.874","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018815","15.681","0.003","16.3","0.003","23.553","0.005","90","","90","","90","","6020","2","350","2","350","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 B2 F8 Fe N10 -","- C26 H18 B2 F8 Fe N10 -","- C208 H144 B16 F64 Fe8 N80 -","8","2","","Salitroš, Ivan; Fuhr, Olaf; Eichhöfer, Andreas; Kruk, Robert; Pavlik, Ján; Dlháň, Lubor; Boča, Roman; Ruben, Mario","The interplay of iron(ii) spin transition and polymorphism.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5163","5171","10.1039/c2dt11906d","","","0.71073","MoKα","","0.0929","0.0593","","","0.1535","0.1713","","","","","","0.954","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018816","9.5513","0.0014","9.5513","0.0014","29.315","0.006","90","","90","","90","","2674.3","0.8","180","2","180","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C26 H18 B2 F8 Fe N10 -","- C26 H18 B2 F8 Fe N10 -","- C104 H72 B8 F32 Fe4 N40 -","4","0.25","","Salitroš, Ivan; Fuhr, Olaf; Eichhöfer, Andreas; Kruk, Robert; Pavlik, Ján; Dlháň, Lubor; Boča, Roman; Ruben, Mario","The interplay of iron(ii) spin transition and polymorphism.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5163","5171","10.1039/c2dt11906d","","","0.71073","MoKα","","0.0298","0.0289","","","0.0749","0.0756","","","","","","1.046","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018817","16.726","0.003","12.202","0.002","15.212","0.003","90","","90","","90","","3104.6","1","370","2","370","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H18 B2 F8 Fe N10 -","- C26 H18 B2 F8 Fe N10 -","- C104 H72 B8 F32 Fe4 N40 -","4","0.5","","Salitroš, Ivan; Fuhr, Olaf; Eichhöfer, Andreas; Kruk, Robert; Pavlik, Ján; Dlháň, Lubor; Boča, Roman; Ruben, Mario","The interplay of iron(ii) spin transition and polymorphism.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5163","5171","10.1039/c2dt11906d","","","0.71073","MoKα","","0.1529","0.0652","","","0.1646","0.2137","","","","","","0.937","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018818","11.1908","0.0005","12.0506","0.0005","16.6731","0.0007","77.708","0.0009","83.173","0.001","89.212","0.001","2181.19","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H106 B2 Cl6 Cu2 N12 -","- C87 H106 B2 Cl6 Cu2 N12 -","- C87 H106 B2 Cl6 Cu2 N12 -","1","0.5","","Martín, Carmen; Sierra, Marta; Alvarez, Eleuterio; Belderrain, Tomás R; Pérez, Pedro J","Hydrotris(3-mesitylpyrazolyl)borato-copper(i) alkyne complexes: synthesis, structural characterization and rationalization of their activities as alkyne cyclopropenation catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5319","5325","10.1039/c2dt11951j","","","0.71073","MoKα","","0.0664","0.0481","","","0.1287","0.1437","","","","","","1.052","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018819","9.0009","0.0007","11.2392","0.0009","38.765","0.003","97.899","0.002","91.176","0.002","93.499","0.002","3875.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C165 H186 B4 Cl2 Cu4 N24 O8 -","- C165 H186 B4 Cl2 Cu4 N24 O8 -","- C165 H186 B4 Cl2 Cu4 N24 O8 -","1","0.5","","Martín, Carmen; Sierra, Marta; Alvarez, Eleuterio; Belderrain, Tomás R; Pérez, Pedro J","Hydrotris(3-mesitylpyrazolyl)borato-copper(i) alkyne complexes: synthesis, structural characterization and rationalization of their activities as alkyne cyclopropenation catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5319","5325","10.1039/c2dt11951j","","","0.71073","MoKα","","0.1021","0.0776","","","0.1802","0.19","","","","","","1.087","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018820","9.1406","0.0006","20.6632","0.0015","23.8733","0.0017","90","","97.186","0.002","90","","4473.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 B Cu N6 -","- C52 H52 B Cu N6 -","- C208 H208 B4 Cu4 N24 -","4","1","","Martín, Carmen; Sierra, Marta; Alvarez, Eleuterio; Belderrain, Tomás R; Pérez, Pedro J","Hydrotris(3-mesitylpyrazolyl)borato-copper(i) alkyne complexes: synthesis, structural characterization and rationalization of their activities as alkyne cyclopropenation catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5319","5325","10.1039/c2dt11951j","","","0.71073","MoKα","","0.0769","0.0463","","","0.1001","0.1142","","","","","","1.022","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018821","38.0471","0.0005","10.2929","0.0008","18.4412","0.0002","90","","107.167","0.004","90","","6900.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H51 N9 Zn3 -","- C27 H51 N9 Zn3 -","- C216 H408 N72 Zn24 -","8","1","","Zelga, Karolina; Leszczyński, Michał; Justyniak, Iwona; Kornowicz, Arkadiusz; Cabaj, Maciej; Wheatley, Andrew E. H.; Lewiński, Janusz","Synthesis, structure and unique reactivity of the ethylzinc derivative of a bicyclic guanidine","Dalton Transactions","2012","41","19","5934","","10.1039/c2dt11959e","","","0.71073","MoKα","","0.0635","0.0527","","","0.1241","0.1287","","","","","","1.112","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018822","19.9841","0.0004","10.5322","0.001","20.1641","0.001","90","","90","","90","","4244.1","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H68 N12 O Zn5 -","- C36 H68 N12 O Zn5 -","- C144 H272 N48 O4 Zn20 -","4","1","","Zelga, Karolina; Leszczyński, Michał; Justyniak, Iwona; Kornowicz, Arkadiusz; Cabaj, Maciej; Wheatley, Andrew E. H.; Lewiński, Janusz","Synthesis, structure and unique reactivity of the ethylzinc derivative of a bicyclic guanidine","Dalton Transactions","2012","41","19","5934","","10.1039/c2dt11959e","","","0.71073","MoKα","","0.0805","0.0643","","","0.1488","0.1824","","","","","","1.105","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018823","9.3691","0.0002","10.1339","0.0004","13.1572","0.0005","94.329","0.001","105.682","0.002","95.588","0.002","1190.23","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H74 Cl2 N12 O4 Zn4 -","- C40 H74 Cl2 N12 O4 Zn4 -","- C40 H74 Cl2 N12 O4 Zn4 -","1","0.5","","Zelga, Karolina; Leszczyński, Michał; Justyniak, Iwona; Kornowicz, Arkadiusz; Cabaj, Maciej; Wheatley, Andrew E. H.; Lewiński, Janusz","Synthesis, structure and unique reactivity of the ethylzinc derivative of a bicyclic guanidine","Dalton Transactions","2012","41","19","5934","","10.1039/c2dt11959e","","","0.71073","MoKα","","0.0453","0.0376","","","0.0794","0.0837","","","","","","1.033","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018824","18.621","0.0014","10.0925","0.0008","18.7696","0.0014","90","","117.627","0.001","90","","3125.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cu2 I2 N6 -","- C32 H24 Cu2 I2 N6 -","- C128 H96 Cu8 I8 N24 -","4","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.0938","0.0582","","","0.123","0.1393","","","","","","1.028","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018825","8.6328","0.0011","22.983","0.003","14.1392","0.0017","90","","91.257","0.002","90","","2804.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cu2 I2 N7 -","- C25 H19 Cu2 I2 N7 -","- C100 H76 Cu8 I8 N28 -","4","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.0521","0.0388","","","0.0852","0.0924","","","","","","1.029","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018826","12.313","0.0009","17.5191","0.0012","7.3772","0.0005","90","","104.239","0.001","90","","1542.47","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Br3 Cu3 N3 O0 -","- C13 H10 Br3 Cu3 N3 -","- C52 H40 Br12 Cu12 N12 -","4","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.0513","0.0399","","","0.1028","0.1119","","","","","","1.034","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018827","9.1973","0.0018","15.376","0.003","9.1789","0.0018","90","","111.737","0.003","90","","1205.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cu N4 -","- C14 H10 Cu N4 -","- C56 H40 Cu4 N16 -","4","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.0451","0.0353","","","0.0884","0.0958","","","","","","1.047","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018828","14.6291","0.0013","11.2293","0.001","17.3085","0.0015","90","","107.402","0.002","90","","2713.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Br Cu N6 -","- C32 H24 Br Cu N6 -","- C128 H96 Br4 Cu4 N24 -","4","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.0677","0.0446","","","0.1095","0.1232","","","","","","1.045","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018829","12.7525","0.0018","18.711","0.003","14.771","0.002","90","","90","","90","","3524.5","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H12 Cu2 N5.5 -","- C18 H12 Cu2 N5.5 -","- C144 H96 Cu16 N44 -","8","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.0647","0.0448","","","0.1263","0.1426","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018830","7.413","0.004","8.577","0.004","37.051","0.016","90","","90","","90","","2356","2","293","2","293","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C10 H7 Cu2 N3.5 O0.5 -","- C10 H6 Cu2 N3.5 O0.5 -","- C80 H48 Cu16 N28 O4 -","8","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.094","0.0739","","","0.1618","0.1727","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018831","9.7052","0.0008","15.6248","0.0012","30.199","0.002","90","","95.201","0.001","90","","4560.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cu I N5 -","- C24 H18 Cu I N5 -","- C192 H144 Cu8 I8 N40 -","8","1","","Ni, Jia; Wei, Kai-Ju; Min, Yuanzeng; Chen, Yaowen; Zhan, Shunze; Li, Dan; Liu, Yangzhong","Copper(i) coordination polymers of 2,2'-dipyridylamine derivatives: syntheses, structures, and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5280","5293","10.1039/c2dt12032a","","","0.71073","MoKα","","0.0642","0.0445","","","0.094","0.0985","","","","","","1.037","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018832","10.463","0.001","19.225","0.002","33.429","0.003","90","","90","","90","","6724.3","1.1","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(2,6-diisopropylphenyl)imido-bis(tert-butylamino)- molybdenum","","- C32 H54 Mo N4 -","- C32 H54 Mo N4 -","- C256 H432 Mo8 N32 -","8","1","","Wright, William R. H.; Batsanov, Andrei S.; Messinis, Antonis M.; Howard, Judith A. K.; Tooze, Robert P.; Hanton, Martin J.; Dyer, Philip W.","Application of molybdenum bis(imido) complexes in ethylene dimerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5502","5511","10.1039/c2dt12061e","","","0.71073","MoKα","","0.0502","0.0334","","","0.075","0.079","","","","","","0.978","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018833","16.424","0.002","19.713","0.002","39.485","0.004","90","","97.22","0.01","90","","12683","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H41 Al Cl4 Mo N2 -","- C26.4975 H40.5 Al Cl4 Mo N2 -","- C423.96 H648 Al16 Cl64 Mo16 N32 -","16","4","","Wright, William R. H.; Batsanov, Andrei S.; Messinis, Antonis M.; Howard, Judith A. K.; Tooze, Robert P.; Hanton, Martin J.; Dyer, Philip W.","Application of molybdenum bis(imido) complexes in ethylene dimerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5502","5511","10.1039/c2dt12061e","","","0.71073","MoKα","","0.1631","0.0694","","","0.1036","0.1289","","","","","","0.978","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018834","9.046","0.001","16.3938","0.0018","16.6047","0.0019","90","","101.757","0.01","90","","2410.8","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Al Cl3 Mo N2 -","- C18 H32 Al Cl3 Mo N2 -","- C72 H128 Al4 Cl12 Mo4 N8 -","4","1","","Wright, William R. H.; Batsanov, Andrei S.; Messinis, Antonis M.; Howard, Judith A. K.; Tooze, Robert P.; Hanton, Martin J.; Dyer, Philip W.","Application of molybdenum bis(imido) complexes in ethylene dimerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5502","5511","10.1039/c2dt12061e","","","0.71073","MoKα","","0.0338","0.0245","","","0.0541","0.0571","","","","","","1.032","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018835","10.7546","0.0005","26.4634","0.0011","11.0319","0.0004","90","","92.912","0.003","90","","3135.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Chlorido-(2,2-dimethylaziridine)-[2-{1-(dimethylaminoethyl} phenyl-C,N]-palladium(II)","","- C14 H23 Cl N2 Pd -","- C14 H23 Cl N2 Pd -","- C112 H184 Cl8 N16 Pd8 -","8","4","","Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.","Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)","Dalton Transactions","2012","41","19","5925","","10.1039/c2dt12107g","","x-ray","0.71073","MoKα","","0.0247","0.0221","","","0.0494","0.0504","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018836","11.6261","0.0003","9.8324","0.0002","9.8676","0.0002","90","","111.658","0.0013","90","","1048.36","0.04","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Bis(N-(2-aminoethyl)aziridine- N,N)palladium(ii))bis(trifluormethansulfonate)","[Bis(N-(2-aminoethyl)aziridine-N,N)palladium(II)]bis(trifluormethansulfonate)","","- C10 H20 F6 N4 O6 Pd S2 -","- C10 H20 F6 N4 O6 Pd S2 -","- C20 H40 F12 N8 O12 Pd2 S4 -","2","0.5","","Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.","Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)","Dalton Transactions","2012","41","19","5925","","10.1039/c2dt12107g","","x-ray","0.71073","MoKα","","0.0278","0.0228","","","0.0523","0.0546","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018837","24.9994","0.0005","9.0537","0.0001","18.8146","0.0003","90","","90","","90","","4258.44","0.12","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[Tris(N-(2-aminoethyl)aziridine-N,N)copper(II)]dichloride","","- C16 H36 Cl2 Cu N4 -","- C16 H36 Cl2 Cu N4 -","- C128 H288 Cl16 Cu8 N32 -","8","2","","Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.","Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)","Dalton Transactions","2012","41","19","5925","","10.1039/c2dt12107g","","x-ray","0.71073","MoKα","","0.0692","0.0465","","","0.1204","0.1352","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018838","21.4333","0.0005","5.6449","0.0001","12.6506","0.0003","90","","90","","90","","1530.58","0.06","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Trans-bis[(2H-phenylazirine)dichlorido]palladium(II)","","- C16 H14 Cl2 N2 Pd -","- C16 H14 Cl2 N2 Pd -","- C64 H56 Cl8 N8 Pd4 -","4","1","","Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.","Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)","Dalton Transactions","2012","41","19","5925","","10.1039/c2dt12107g","","x-ray","0.71073","MoKα","","0.0473","0.0322","","","0.073","0.0808","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018839","12.3018","0.0006","14.6505","0.0007","16.4725","0.0008","71.541","0.001","76.22","0.001","81.591","0.001","2726.9","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C3 H22 Ge K8 Mn N0 O47 W9 -","- C3 Ge K8 Mn O47 W9 -","- C6 Ge2 K16 Mn2 O94 W18 -","2","1","","Zhao, Juan; Wang, Junsheng; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two novel trivacant Keggin-type polytungstates supported manganese carbonyl derivatives synthesized by degradation of metastable [γ-XW10O36]8− (X = GeIV, SiIV)","Dalton Transactions","2012","41","19","5832","","10.1039/c2dt12130a","","","0.71073","MoKα","","0.0526","0.0468","","","0.1249","0.1299","","","","","","1.025","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018840","12.265","0.002","14.692","0.003","16.497","0.003","71.58","0.003","76.382","0.003","81.643","0.004","2733","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C3 H24 K8 Mn N0 O48 Si W9 -","- C3 K8 Mn O48 Si W9 -","- C6 K16 Mn2 O96 Si2 W18 -","2","1","","Zhao, Juan; Wang, Junsheng; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two novel trivacant Keggin-type polytungstates supported manganese carbonyl derivatives synthesized by degradation of metastable [γ-XW10O36]8− (X = GeIV, SiIV)","Dalton Transactions","2012","41","19","5832","","10.1039/c2dt12130a","","","0.71073","MoKα","","0.0726","0.0569","","","0.1376","0.1445","","","","","","1.005","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018841","11.495934","","6.6452513","","9.683433","","90","","113.078","","90","","680.549","","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","gadolinium orthoborate","","","- B Gd O3 -","- B Gd O3 -","- B12 Gd12 O36 -","12","1.5","","Szczeszak, Agata; Grzyb, Tomasz; Lis, Stefan; Wiglusz, Rafal J.","Revision of structural properties of GdBO3 nanopowders doped with Eu3+ ions through spectroscopic studies","Dalton Transactions","2012","41","19","5824","","10.1039/c2dt12154a","","","1.54187","CuKα","","0.025882","","","0.032763","","","","","0.0273613","","","","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018842","6.3469","0.0007","6.6534","0.0007","10.9527","0.0013","88.543","0.01","89.933","0.009","72.034","0.01","439.81","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N6 O4 -","- C6 H8 N6 O4 -","- C12 H16 N12 O8 -","2","1","","Kozma, Ágnes; Ibáñez, Susana; Silaghi-Dumitrescu, Radu; Sanz Miguel, Pablo J.; Gupta, Deepali; Lippert, Bernhard","7-Methylguanine: protonation, formation of linkage isomers with trans-(NH3)2PtII, and base pairing properties","Dalton Transactions","2012","41","20","6094","","10.1039/c2dt12228f","","","0.71073","MoKα","","0.0725","0.0493","","","0.1275","0.1325","","","","","","0.981","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018843","7.6936","0.0009","10.0818","0.0009","13.2751","0.0016","86.629","0.008","89.408","0.01","72.912","0.009","982.5","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cl N5 O5 -","- C6 H8 Cl N5 O5 -","- C24 H32 Cl4 N20 O20 -","4","2","","Kozma, Ágnes; Ibáñez, Susana; Silaghi-Dumitrescu, Radu; Sanz Miguel, Pablo J.; Gupta, Deepali; Lippert, Bernhard","7-Methylguanine: protonation, formation of linkage isomers with trans-(NH3)2PtII, and base pairing properties","Dalton Transactions","2012","41","20","6094","","10.1039/c2dt12228f","","","0.71073","MoKα","","0.0833","0.0424","","","0.0517","0.0544","","","","","","0.971","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018844","7.5337","0.0007","10.0931","0.0008","13.1155","0.0008","86.712","0.006","89.796","0.006","72.735","0.008","950.68","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 B F4 N5 O -","- C6 H8 B F4 N5 O -","- C24 H32 B4 F16 N20 O4 -","4","2","","Kozma, Ágnes; Ibáñez, Susana; Silaghi-Dumitrescu, Radu; Sanz Miguel, Pablo J.; Gupta, Deepali; Lippert, Bernhard","7-Methylguanine: protonation, formation of linkage isomers with trans-(NH3)2PtII, and base pairing properties","Dalton Transactions","2012","41","20","6094","","10.1039/c2dt12228f","","","0.71073","MoKα","","0.0902","0.0495","","","0.1025","0.1085","","","","","","0.981","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018845","9.5564","0.0007","12.7157","0.0007","9.7164","0.0007","90","","108.876","0.008","90","","1117.2","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 N12 O10 Pt -","- C12 H20 Cl2 N12 O10 Pt -","- C24 H40 Cl4 N24 O20 Pt2 -","2","0.5","","Kozma, Ágnes; Ibáñez, Susana; Silaghi-Dumitrescu, Radu; Sanz Miguel, Pablo J.; Gupta, Deepali; Lippert, Bernhard","7-Methylguanine: protonation, formation of linkage isomers with trans-(NH3)2PtII, and base pairing properties","Dalton Transactions","2012","41","20","6094","","10.1039/c2dt12228f","","","0.71073","MoKα","","0.0711","0.0321","","","0.0423","0.0447","","","","","","0.906","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018846","9.3162","0.0004","10.4184","0.0005","13.6046","0.0006","76.664","0.004","83.274","0.004","77.138","0.004","1249.6","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Cl2 N12 O13 Pt -","- C12 H26 Cl2 N12 O13 Pt -","- C24 H52 Cl4 N24 O26 Pt2 -","2","1","","Kozma, Ágnes; Ibáñez, Susana; Silaghi-Dumitrescu, Radu; Sanz Miguel, Pablo J.; Gupta, Deepali; Lippert, Bernhard","7-Methylguanine: protonation, formation of linkage isomers with trans-(NH3)2PtII, and base pairing properties","Dalton Transactions","2012","41","20","6094","","10.1039/c2dt12228f","","","0.71073","MoKα","","0.048","0.0332","","","0.0426","0.0438","","","","","","0.872","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018847","14.11","0.002","14.11","0.002","22.77","0.005","90","","90","","120","","3926","1.2","150","2","123","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Co7(OH)6(L)6)(NO3)2","","","- C54 H66 Co7 N8 O24 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.1057","0.0851","","","0.2671","0.2796","","","","","","1.211","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018848","14.041","0.002","14.041","0.002","23.036","0.005","90","","90","","120","","3933.1","1.2","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Co7(OH)6(immp)6)(NO3)2.2MeOH","","","- C56 H66 Co7 N8 O26 -","- C56.01 H66 Co7 N8 O25.98 -","- C112.02 H132 Co14 N16 O51.96 -","2","0.166667","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.0732","0.0695","","","0.2179","0.2221","","","","","","1.194","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018849","6.0471","0.0006","9.0763","0.0012","20.933","0.003","90","","90","","90","","1148.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-ImPh-6-MePhenol","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.1138","0.0751","","","0.1584","0.1874","","","","","","1.015","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018850","29.2767","0.0015","12.9879","0.0005","24.4043","0.0009","90","","92.797","0.005","90","","9268.5","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co7(OH)6(immp-Ph)6)(NO3)2.3MeCN","","","- C90 H87 Co7 N12 O27 -","- C90 H87 Co7 N12 O27 -","- C360 H348 Co28 N48 O108 -","4","0.5","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.1204","0.0697","","","0.1385","0.1693","","","","","","1.052","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018851","11.6622","0.0008","23.9507","0.0013","9.2521","0.0006","90","","109.596","0.007","90","","2434.6","0.3","296.9","","296.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Co(L)2)","","","- C28 H24 Co N2 O4 -","- C28 H24 Co N2 O4 -","- C112 H96 Co4 N8 O16 -","4","1","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.0796","0.0544","","","0.1143","0.125","","","","","","1.139","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018852","24.774","0.005","15.542","0.003","15.416","0.003","90","","93.61","0.03","90","","5924","2","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","(Co2Na1(immp-Br)6)(BF4)","","","- C54 H54 B Br6 Co2 F4 N6 Na O12 -","- C54 H54 B Br6 Co2 F4 N6 Na O12 -","- C216 H216 B4 Br24 Co8 F16 N24 Na4 O48 -","4","0.5","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.0508","0.0302","","","0.0651","0.0713","","","","","","1.039","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018853","24.5145","0.0004","10.6055","0.0001","23.0862","0.0004","90","","109.559","0.001","90","","5655.81","0.15","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 Cl N2 P Pd S -","- C31 H26 Cl N2 P Pd S -","- C248 H208 Cl8 N16 P8 Pd8 S8 -","8","1","","Sindhuja, Elangovan; Ramesh, Rengan; Liu, Yu","Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5351","5361","10.1039/c2dt12243j","","","0.71073","MoKα","","0.0402","0.0306","","","0.0698","0.075","","","","","","1.106","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018854","14.205","0.005","9.867","0.005","19.274","0.005","90","","90","","90","","2701.5","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl N3 P Pd S -","- C29 H23 Cl N3 P Pd S -","- C116 H92 Cl4 N12 P4 Pd4 S4 -","4","1","","Sindhuja, Elangovan; Ramesh, Rengan; Liu, Yu","Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5351","5361","10.1039/c2dt12243j","","","0.71073","MoKα","","0.095","0.0477","","","0.1023","0.1238","","","","","","0.912","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018855","9.0407","0.0002","14.913","0.0003","40.8653","0.0007","90","","90","","90","","5509.62","0.19","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl2 N2 P Pd S -","- C30 H23 Cl2 N2 P Pd S -","- C240 H184 Cl16 N16 P8 Pd8 S8 -","8","1","","Sindhuja, Elangovan; Ramesh, Rengan; Liu, Yu","Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5351","5361","10.1039/c2dt12243j","","","0.71073","MoKα","","0.0355","0.0296","","","0.0624","0.0691","","","","","","1.216","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018856","25.1402","0.0009","10.2928","0.0003","23.0874","0.0009","90","","108.072","0.003","90","","5679.4","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 Cl N2 P Pd S -","- C31 H26 Cl N2 P Pd S -","- C248 H208 Cl8 N16 P8 Pd8 S8 -","8","1","","Sindhuja, Elangovan; Ramesh, Rengan; Liu, Yu","Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5351","5361","10.1039/c2dt12243j","","","0.71073","MoKα","","0.029","0.0229","","","0.0557","0.0606","","","","","","1.055","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018857","24.957","0.0006","3.8807","0.0001","12.6821","0.0003","90","","117.814","0.001","90","","1086.36","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","56","","","- C4 H2 N4 Tl -","- C4 H2 N4 Tl -","- C32 H16 N32 Tl8 -","8","1","","Parast, Mohammad Sadegh Yazdan; Morsali, Ali; Ebrahimpour, Parisa","Synthesis and characterization of four new thallium(i) tetrazole supramolecular compounds with various secondary interactions; new precursors for thallium(iii) oxide nano-particles","Dalton Transactions","2012","41","19","5848","","10.1039/c2dt12259f","","","0.71073","MoKα","","0.0222","0.0205","","","0.0632","0.0641","","","","","","1.194","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018858","36.831","0.002","3.9678","0.0003","12.5375","0.0007","90","","106.589","0.004","90","","1755.94","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Br N4 Tl -","- C7 H4 Br N4 Tl -","- C56 H32 Br8 N32 Tl8 -","8","1","","Parast, Mohammad Sadegh Yazdan; Morsali, Ali; Ebrahimpour, Parisa","Synthesis and characterization of four new thallium(i) tetrazole supramolecular compounds with various secondary interactions; new precursors for thallium(iii) oxide nano-particles","Dalton Transactions","2012","41","19","5848","","10.1039/c2dt12259f","","","0.71073","MoKα","","0.0562","0.032","","","0.0788","0.0914","","","","","","0.97","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018859","32.979","0.002","3.8845","0.0002","12.5892","0.0008","90","","100.331","0.004","90","","1586.62","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 N4 Tl -","- C7 H5 N4 Tl -","- C56 H40 N32 Tl8 -","8","1","","Parast, Mohammad Sadegh Yazdan; Morsali, Ali; Ebrahimpour, Parisa","Synthesis and characterization of four new thallium(i) tetrazole supramolecular compounds with various secondary interactions; new precursors for thallium(iii) oxide nano-particles","Dalton Transactions","2012","41","19","5848","","10.1039/c2dt12259f","","","0.71073","MoKα","","0.0418","0.0259","","","0.0645","0.0745","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018860","9.7767","0.001","8.9439","0.0009","20.868","0.002","90","","90","","90","","1824.7","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N4 Tl -","- C8 H7 N4 Tl -","- C64 H56 N32 Tl8 -","8","1","","Parast, Mohammad Sadegh Yazdan; Morsali, Ali; Ebrahimpour, Parisa","Synthesis and characterization of four new thallium(i) tetrazole supramolecular compounds with various secondary interactions; new precursors for thallium(iii) oxide nano-particles","Dalton Transactions","2012","41","19","5848","","10.1039/c2dt12259f","","","0.71073","MoKα","","0.0363","0.0295","","","0.0748","0.079","","","","","","1.032","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018861","7.505","0.009","9.049","0.01","9.245","0.011","111.494","0.007","107.567","0.015","99.924","0.002","527.9","1.1","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Fe3 N4 O18 -","- C12 H18 Fe3 N4 O18 -","- C12 H18 Fe3 N4 O18 -","1","0.5","","Zhou, Chun-Ding; Chen, Chao; Cai, Li-Xuan; Zhang, Jie","Solvent-modulated metamagnetism in an Fe(ii) system exhibiting a two-step field-induced magnetic transition.","Dalton transactions (Cambridge, England : 2003)","2012","41","19","5912","5918","10.1039/c2dt12260j","","","0.71073","MoKα","","0.0589","0.0412","","","0.0792","0.0867","","","","","","1.044","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018862","10.6397","0.0006","10.0825","0.0006","23.8075","0.0013","90","","91.022","0.001","90","","2553.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cu2 N4 O6 -","- C27 H20 Cu2 N4 O6 -","- C108 H80 Cu8 N16 O24 -","4","1","","Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng","2D Coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5704","5714","10.1039/c2dt12281b","","","0.71073","MoKα","","0.0403","0.0276","","","0.0701","0.0774","","","","","","1.041","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018863","12.5851","0.001","17.2635","0.0013","19.2079","0.0015","75.362","0.001","73.759","0.001","84.699","0.001","3875.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H130 Cu6 Mn6 N24 O47 -","- C150 H116 Cu6 Mn6 N24 O47 -","- C150 H116 Cu6 Mn6 N24 O47 -","1","0.5","","Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng","2D Coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5704","5714","10.1039/c2dt12281b","","","0.71073","MoKα","","0.0776","0.0524","","","0.1539","0.171","","","","","","1.047","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018864","11.7853","0.0007","18.792","0.001","14.9202","0.0006","90","","115.137","0.003","90","","2991.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Co Cu N5 O11 -","- C28 H27 Co Cu N5 O11 -","- C112 H108 Co4 Cu4 N20 O44 -","4","1","","Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng","2D Coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5704","5714","10.1039/c2dt12281b","","","0.71073","MoKα","","0.0391","0.0302","","","0.0797","0.085","","","","","","1.058","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018865","11.1511","0.0006","15.017","0.0008","16.4209","0.0009","90","","103.61","0.001","90","","2672.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H23 Cu2 N4 O9 -","- C28.454 H20.908 Cu2 N4 O9 -","- C113.816 H83.632 Cu8 N16 O36 -","4","1","","Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng","2D Coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5704","5714","10.1039/c2dt12281b","","","0.71073","MoKα","","0.0351","0.0329","","","0.0788","0.0799","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018866","23.415","0.003","14.3646","0.0016","14.5598","0.0017","90","","102.616","0.002","90","","4778.9","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H21.3 Mn N4 Ni O6.63 -","- C27 H20 Mn N4 Ni O6.65 -","- C216 H160 Mn8 N32 Ni8 O53.2 -","8","1","","Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng","2D Coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5704","5714","10.1039/c2dt12281b","","","0.71073","MoKα","","0.0569","0.0351","","","0.0687","0.0764","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018867","17.5236","0.0007","15.218","0.0004","34.6579","0.0014","90","","100.765","0.002","90","","9079.7","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 F12 N13 O0.5 P2 Ru -","- C38 H35 F12 N13 O0.5 P2 Ru -","- C304 H280 F96 N104 O4 P16 Ru8 -","8","1","","Park, Hee-Jun; Chung, Young Keun","Ru(ii) complexes with N-heterocyclic carbene ligands or terpyridine analogues: synthesis, characterization, and electrochemical and proton-dependent spectrometric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5678","5686","10.1039/c2dt12283a","","","0.71073","MoKα","","0.1222","0.0835","","","0.2351","0.2561","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018868","9.3204","0.0019","5.1021","0.001","13.905","0.003","90","","108.297","0.003","90","","627.8","0.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","R-3-Boc-Bromalaninemethylester","R-3-(t-Butyloxycarbonyl)-Bromalaninemethylester","","- C9 H15 Br N O4 -","- C9 H15 Br N O4 -","- C18 H30 Br2 N2 O8 -","2","1","","Kraehmer, Verena; Rehder, Dieter","Modelling the site of bromide binding in vanadate-dependent bromoperoxidases.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5225","5234","10.1039/c2dt12287a","","","0.71073","MoKα","","0.0452","0.0397","","","0.0939","0.0957","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018869","5.2531","0.0006","11.825","0.0013","13.8956","0.0015","90","","90","","90","","863.17","0.17","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bromoalaninemethylester","R-3-Bromoalaninemethylesterhydrobromide","","- C4 H9 Br2 N O2 -","- C4 H9 Br2 N O2 -","- C16 H36 Br8 N4 O8 -","4","1","","Kraehmer, Verena; Rehder, Dieter","Modelling the site of bromide binding in vanadate-dependent bromoperoxidases.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5225","5234","10.1039/c2dt12287a","","","0.71073","MoKα","","0.0248","0.0225","","","0.0476","0.0481","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018870","7.1797","0.0017","21.233","0.005","19.471","0.005","90","","99.801","0.005","90","","2925","1.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","V-Amisal","[VO(OMe)-(MeOH)-(N-(2-salicylidenamino)phenolat)]","","- C15 H16 N O5 V -","- C15 H16 N O5 V -","- C120 H128 N8 O40 V8 -","8","2","","Kraehmer, Verena; Rehder, Dieter","Modelling the site of bromide binding in vanadate-dependent bromoperoxidases.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5225","5234","10.1039/c2dt12287a","","","0.71073","MoKα","","0.1335","0.0571","","","0.0937","0.1095","","","","","","0.786","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018871","9.5172","0.0001","10.0418","0.0001","7.5621","0.0001","90","","93.984","0.001","90","","720.962","0.014","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C8 H18 Cu2 N2 O12 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.71073","MoKα","","0.0254","0.0223","","0.0513","0.0498","0.0513","","","","","","0.9748","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018872","9.4817","0.0003","10.0118","0.0003","7.5433","0.0007","90","","93.856","0.004","90","","714.46","0.07","293","","293","","","","300000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0397","0.0319","","0.0873","0.07","0.0873","","","","","","0.9221","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018873","9.3964","0.0003","9.9334","0.0004","7.5076","0.0009","90","","93.536","0.006","90","","699.41","0.09","293","","293","","","","850000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0417","0.0266","","0.0565","0.0514","0.0565","","","","","","0.8356","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018874","9.2843","0.0003","9.8358","0.0004","7.4532","0.0007","90","","93.071","0.005","90","","679.64","0.07","293","","293","","","","1840000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0407","0.0305","","0.0676","0.0596","0.0676","","","","","","0.9613","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018875","9.1425","0.0009","9.7138","0.0011","7.361","0.002","90","","92.265","0.016","90","","653.2","0.2","293","","293","","","","3490000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0548","0.0379","","0.0916","0.0667","0.0916","","","","","","0.9333","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018876","9.0447","0.0005","9.6337","0.0007","7.3016","0.0014","90","","91.765","0.01","90","","635.92","0.14","293","","293","","","","4920000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0348","0.029","","0.0615","0.0539","0.0615","","","","","","0.8689","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018877","8.9747","0.0005","9.5739","0.0006","7.2465","0.0011","90","","91.332","0.008","90","","622.47","0.11","293","","293","","","","5900000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0371","0.0306","","0.0642","0.0553","0.0642","","","","","","0.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018878","8.9403","0.0006","9.5601","0.0008","7.2112","0.0014","90","","90.949","0.012","90","","616.26","0.14","293","","293","","","","6770000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0529","0.0395","","0.0957","0.0755","0.0957","","","","","","0.8687","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018879","8.9493","0.0009","9.621","0.0013","7.059","0.002","90","","89.829","0.018","90","","607.8","0.2","293","","293","","","","7890000","","","","","5","C 1 2 1","C 2y","5","CuAsp","","","- C4 H9 Cu N O6 -","- C4 H9 Cu N O6 -","- C16 H36 Cu4 N4 O24 -","4","1","","Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.","Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5464","5467","10.1039/c2dt12302a","","x-ray","0.4762","synchrotron","","0.0887","0.0481","","0.2465","0.1151","0.2465","","","","","","1.0151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018880","14.6515","0.0002","6.8612","0.0001","19.3482","0.0003","90","","96.639","0.002","90","","1931.97","0.05","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Br N2 P Se -","- C21 H16 Br N2 P Se -","- C84 H64 Br4 N8 P4 Se4 -","4","1","","Milde, Bianca; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Phosphino imidazoles and imidazolium salts for Suzuki C-C coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5377","5390","10.1039/c2dt12322c","","","1.54184","CuKα","","0.0283","0.0253","","","0.0659","0.0672","","","","","","1.057","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018881","16.3428","0.0011","16.6465","0.0012","19.6587","0.0015","88.435","0.006","79.579","0.006","79.799","0.006","5176.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H31 Br2 Cl3 I2 N4 Pd -","- C27 H31 Br2 Cl3 I2 N4 Pd -","- C162 H186 Br12 Cl18 I12 N24 Pd6 -","6","3","","Milde, Bianca; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Phosphino imidazoles and imidazolium salts for Suzuki C-C coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5377","5390","10.1039/c2dt12322c","","","1.54184","CuKα","","0.1714","0.0997","","","0.2499","0.2796","","","","","","0.893","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018882","8.7047","0.0005","12.7269","0.0006","14.2494","0.0007","78.787","0.004","82.971","0.004","74.495","0.004","1487.97","0.14","105","","105","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Br2 I2 N4 Pd -","- C26 H30 Br2 I2 N4 Pd -","- C52 H60 Br4 I4 N8 Pd2 -","2","1","","Milde, Bianca; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Phosphino imidazoles and imidazolium salts for Suzuki C-C coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5377","5390","10.1039/c2dt12322c","","","0.71073","MoKα","","0.0344","0.0248","","","0.0519","0.0531","","","","","","0.927","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018883","14.5506","0.0009","22.4113","0.0014","24.7481","0.0015","90","","96.027","0.002","90","","8025.7","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 Br2 N P2 Ru S -","- C46 H39 Br2 N P2 Ru S -","- C368 H312 Br16 N8 P16 Ru8 S8 -","8","2","","Ding, Nini; Zhang, Wenhua; Hor, T. S. Andy","One-step entry to olefin-tethered N,S-heterocyclic carbene complexes of ruthenium with mixed ligands","Dalton Transactions","2012","41","19","5988","","10.1039/c2dt12354a","","","0.71073","MoKα","","0.1387","0.0575","","","0.1025","0.1244","","","","","","0.906","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018884","10.2071","0.0012","14.9002","0.0018","20.374","0.003","90","","98.004","0.003","90","","3068.5","0.7","90","2","90","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Br Cl N O2 P Ru S -","- C35 H34 Br Cl N O2 P Ru S -","- C140 H136 Br4 Cl4 N4 O8 P4 Ru4 S4 -","4","1","","Ding, Nini; Zhang, Wenhua; Hor, T. S. Andy","One-step entry to olefin-tethered N,S-heterocyclic carbene complexes of ruthenium with mixed ligands","Dalton Transactions","2012","41","19","5988","","10.1039/c2dt12354a","","","0.71073","MoKα","","0.0575","0.0458","","","0.1273","0.1336","","","","","","1.068","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018885","10.2076","0.0014","12.203","0.0017","14.881","0.002","87.596","0.003","71.425","0.003","80.448","0.003","1732.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H39 Cl N O2 P Ru S -","- C39 H39 Cl N O2 P Ru S -","- C78 H78 Cl2 N2 O4 P2 Ru2 S2 -","2","1","","Ding, Nini; Zhang, Wenhua; Hor, T. S. Andy","One-step entry to olefin-tethered N,S-heterocyclic carbene complexes of ruthenium with mixed ligands","Dalton Transactions","2012","41","19","5988","","10.1039/c2dt12354a","","","0.71073","MoKα","","0.0995","0.0734","","","0.1584","0.1694","","","","","","1.143","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018886","15.6472","0.0018","8.6894","0.001","36.182","0.004","90","","101.388","0.003","90","","4822.6","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 Br N2 O2 P Ru S2 -","- C51 H52 Br N2 O2 P Ru S2 -","- C204 H208 Br4 N8 O8 P4 Ru4 S8 -","4","1","","Ding, Nini; Zhang, Wenhua; Hor, T. S. Andy","One-step entry to olefin-tethered N,S-heterocyclic carbene complexes of ruthenium with mixed ligands","Dalton Transactions","2012","41","19","5988","","10.1039/c2dt12354a","","","0.71073","MoKα","","0.1711","0.1151","","","0.2511","0.2768","","","","","","1.133","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018887","13.4581","0.0008","5.1991","0.0003","13.6978","0.0016","90","","120.58","0.01","90","","825.14","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F Na2 Ni O4 P -","- F Na2 Ni O4 P -","- F8 Na16 Ni8 O32 P8 -","8","2","","Ben Yahia, Hamdi; Shikano, Masahiro; Koike, Shinji; Tatsumi, Kuniaki; Kobayashi, Hironori","Single crystal X-ray structure study of the Li2−xNaxNi[PO4]F system","Dalton Transactions","2012","41","19","5838","","10.1039/c2dt12375d","","","0.71069","MoKα","","0.0408","0.0408","","","0.0688","0.0688","","","","1.18","1.18","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018888","10.7874","0.0003","6.2196","0.0005","11.178","0.0004","90","","90","","90","","749.97","0.07","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- F Li1.292 Na0.708 Ni O4 P -","- F Li1.2912 Na0.7088 Ni O4 P -","- F8 Li10.3296 Na5.6704 Ni8 O32 P8 -","8","1","","Ben Yahia, Hamdi; Shikano, Masahiro; Koike, Shinji; Tatsumi, Kuniaki; Kobayashi, Hironori","Single crystal X-ray structure study of the Li2−xNaxNi[PO4]F system","Dalton Transactions","2012","41","19","5838","","10.1039/c2dt12375d","","","0.71069","MoKα","","0.0218","0.0218","","","0.0522","0.0522","","","","1.13","1.13","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018889","6.772","0.004","11.154","0.006","5.021","0.003","90","","90","0.02","90","","379.3","0.4","293","1","293","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- F Li Na Ni O4 P -","- F Li Na Ni O4 P -","- F4 Li4 Na4 Ni4 O16 P4 -","4","1","","Ben Yahia, Hamdi; Shikano, Masahiro; Koike, Shinji; Tatsumi, Kuniaki; Kobayashi, Hironori","Single crystal X-ray structure study of the Li2−xNaxNi[PO4]F system","Dalton Transactions","2012","41","19","5838","","10.1039/c2dt12375d","","","0.71069","MoKα","","0.0229","0.0228","","","0.063","0.063","","","","1.18","1.18","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018890","10.8879","0.0002","12.1286","0.0003","17.4097","0.0004","90","","90","","90","","2299.04","0.09","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl2 N O4 P Pd -","- C20 H24 Cl2 N O4 P Pd -","- C80 H96 Cl8 N4 O16 P4 Pd4 -","4","1","","Chen, Ke; Pullarkat, Sumod A.; Ma, Mengtao; Li, Yongxin; Leung, Pak-Hing","Chiral cyclopalladated complex promoted asymmetric synthesis of diester-substituted P,N-ligands via stepwise hydrophosphination and hydroamination reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5391","5400","10.1039/c2dt12379g","","","0.71073","MoKα","","0.0474","0.0359","","","0.0534","0.0578","","","","","","1.045","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018891","11.2143","0.0004","17.4999","0.0006","11.5906","0.0004","90","","111.861","0.002","90","","2111.08","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl3 N2 O8 P Pd -","- C42 H48 Cl3 N2 O8 P Pd -","- C84 H96 Cl6 N4 O16 P2 Pd2 -","2","1","","Chen, Ke; Pullarkat, Sumod A.; Ma, Mengtao; Li, Yongxin; Leung, Pak-Hing","Chiral cyclopalladated complex promoted asymmetric synthesis of diester-substituted P,N-ligands via stepwise hydrophosphination and hydroamination reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5391","5400","10.1039/c2dt12379g","","","0.71073","MoKα","","0.0584","0.0415","","","0.0918","0.1122","","","","","","1.084","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018892","10.5919","0.0014","20.528","0.003","12.6956","0.0016","90","","109.676","0.008","90","","2599.2","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl2 N O4 P Pd -","- C25 H26 Cl2 N O4 P Pd -","- C100 H104 Cl8 N4 O16 P4 Pd4 -","4","2","","Chen, Ke; Pullarkat, Sumod A.; Ma, Mengtao; Li, Yongxin; Leung, Pak-Hing","Chiral cyclopalladated complex promoted asymmetric synthesis of diester-substituted P,N-ligands via stepwise hydrophosphination and hydroamination reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5391","5400","10.1039/c2dt12379g","","","0.71073","MoKα","","0.0377","0.0287","","","0.0701","0.0811","","","","","","1.088","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018893","9.6158","0.0002","25.6118","0.0007","10.3103","0.0003","90","","96.392","0.002","90","","2523.41","0.11","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Pt{4'-(Ph)trpy}(NCS)]SbF6","[Pt{4'-(Ph)trpy}(NCS)]SbF6 (1): this crystal was obtained by allowing acetonitrile to escape from a single crystal of the solvate. It is the 1st determination of the crystal structure of 1.","","- C22 H15 F6 N4 Pt S Sb -","- C22 H15 F6 N4 Pt S Sb -","- C88 H60 F24 N16 Pt4 S4 Sb4 -","4","1","","Field, John S.; Munro, Orde Q.; Waldron, Bradley P.","Sorption of small molecule vapours by single crystals of [Pt{4'-(Ph)trpy}(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine: a porous material with a structure stabilised by extended π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5486","5496","10.1039/c2dt12398c","","","0.71073","MoKα","","0.058","0.0369","","","0.0783","0.0821","","","","","","1.094","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018894","9.6202","0.0003","25.5918","0.001","10.3137","0.0004","90","","96.467","0.003","90","","2523.06","0.16","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Pt{4'-(Ph)trpy}(NCS)]SbF6","[Pt{4'-(Ph)trpy}(NCS)]SbF6 (1): this crystal was obtained by allowing acetonitrile to escape from the single crystal of 1.MeCN obtained by exposing the single crystal 1_1st to aectonitrile vapours. As such it is the 2nd crystal strcuture determination of 1 using the original crystal.","","- C22 H15 F6 N4 Pt S Sb -","- C22 H15 F6 N4 Pt S Sb -","- C88 H60 F24 N16 Pt4 S4 Sb4 -","4","1","","Field, John S.; Munro, Orde Q.; Waldron, Bradley P.","Sorption of small molecule vapours by single crystals of [Pt{4'-(Ph)trpy}(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine: a porous material with a structure stabilised by extended π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5486","5496","10.1039/c2dt12398c","","","0.71073","MoKα","","0.1264","0.0598","","","0.0942","0.1025","","","","","","1.073","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018895","9.602","0.0008","25.593","0.002","10.2134","0.0009","90","","96.301","0.007","90","","2494.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Pt{4'-(Ph)trpy}(NCS)]SbF6","This is the crystal of [Pt{4'-(Ph)trpy}(NCS)]SbF6 (1) obtained after allowing acetone to escape from the single crystal of 1.(CH3)2CO obtained by direct crystallisation from acetone. It is the 3rd crystal structure determination of 1.","","- C22 H15 F6 N4 Pt S Sb -","- C22 H15 F6 N4 Pt S Sb -","- C88 H60 F24 N16 Pt4 S4 Sb4 -","4","1","","Field, John S.; Munro, Orde Q.; Waldron, Bradley P.","Sorption of small molecule vapours by single crystals of [Pt{4'-(Ph)trpy}(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine: a porous material with a structure stabilised by extended π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5486","5496","10.1039/c2dt12398c","","","0.71073","MoKα","","0.1663","0.0844","","","0.1927","0.2183","","","","","","0.961","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018896","9.9301","0.0002","25.796","0.0009","10.347","0.003","90","","100.06","0.002","90","","2609.7","0.8","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Pt{4'-(Ph)trpy}(NCS)]SbF6.CH3CN","[Pt{4'-(Ph)trpy}(NCS)]SbF6.MeCN (1.MeCN) This crystal was obtained by exposing the single crystal of 1_1st to vapours of acetonitrile.","","- C24 H18 F6 N5 Pt S Sb -","- C24 H18 F6 N5 Pt S Sb -","- C96 H72 F24 N20 Pt4 S4 Sb4 -","4","1","","Field, John S.; Munro, Orde Q.; Waldron, Bradley P.","Sorption of small molecule vapours by single crystals of [Pt{4'-(Ph)trpy}(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine: a porous material with a structure stabilised by extended π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5486","5496","10.1039/c2dt12398c","","","0.71073","MoKα","","0.1427","0.0803","","","0.1776","0.2107","","","","","","1.076","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018897","9.7239","0.0003","25.486","0.0007","10.4632","0.0003","90","","98.004","0.002","90","","2567.76","0.13","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Pt{4'-(Ph)trpy}(NCS)]SbF6.CH3OH","[Pt{4'-(Ph)trpy}(NCS)]SbF6.CH3OH. This crystal was obtained by exposing a single crystal of [Pt{4'-(Ph)trpy}(NCS)]SbF6 (1) to vapours of methanol.","","- C23 H19 F6 N4 O Pt S Sb -","- C23 H19 F6 N4 O Pt S Sb -","- C92 H76 F24 N16 O4 Pt4 S4 Sb4 -","4","1","","Field, John S.; Munro, Orde Q.; Waldron, Bradley P.","Sorption of small molecule vapours by single crystals of [Pt{4'-(Ph)trpy}(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine: a porous material with a structure stabilised by extended π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5486","5496","10.1039/c2dt12398c","","","0.71073","MoKα","","0.0655","0.0373","","","0.081","0.0862","","","","","","0.977","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018898","9.7859","0.0003","25.3897","0.0008","10.9182","0.0004","90","","98.355","0.003","90","","2683.96","0.15","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Pt{4'-(Ph)trpy}(NCS)]SbF6.(CH3)2CO","This is a crystal of [Pt{4'-(Ph)trpy}(NCS)]SbF6.(CH3)2CO obtained directly by crystallisation from an acetone solution of 1.","","- C25 H21 F6 N4 O Pt S Sb -","- C25 H21 F6 N4 O Pt S Sb -","- C100 H84 F24 N16 O4 Pt4 S4 Sb4 -","4","1","","Field, John S.; Munro, Orde Q.; Waldron, Bradley P.","Sorption of small molecule vapours by single crystals of [Pt{4'-(Ph)trpy}(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine: a porous material with a structure stabilised by extended π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5486","5496","10.1039/c2dt12398c","","","0.71073","MoKα","","0.0878","0.0865","","","0.1639","0.1643","","","","","","1.532","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018899","15.4214","0.0003","15.4214","0.0003","25.0344","0.0005","90","","90","","120","","5156.03","0.18","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C104 H124 Cu4 Li2 O8 P6 -","- C104.04 H123.96 Cu4 Li2 O8 P6 -","- C208.08 H247.92 Cu8 Li4 O16 P12 -","2","0.333333","","Harford, Philip J.; Haywood, Joanna; Smith, Matthew R.; Bhawal, Benjamin N.; Raithby, Paul R.; Uchiyama, Masanobu; Wheatley, Andrew E. H.","Expanding the tools available for direct ortho cupration ‒ targeting lithium phosphidocuprates","Dalton Transactions","2012","41","20","6148","","10.1039/c2dt12415g","","","0.7107","MoKα","","0.0709","0.0674","","","0.1755","0.1772","","","","","","1.2","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018900","18.3517","0.0003","18.3517","0.0003","14.035","0.0004","90","","90","","120","","4093.51","0.15","180","2","180","2","","","","","","","","7","P 3","P 3","143","","","","- C42 H52 Cu2 Li2 N2 O4 P2 -","- C42 H52 Cu2 Li2 N2 O4 P2 -","- C126 H156 Cu6 Li6 N6 O12 P6 -","3","1","","Harford, Philip J.; Haywood, Joanna; Smith, Matthew R.; Bhawal, Benjamin N.; Raithby, Paul R.; Uchiyama, Masanobu; Wheatley, Andrew E. H.","Expanding the tools available for direct ortho cupration ‒ targeting lithium phosphidocuprates","Dalton Transactions","2012","41","20","6148","","10.1039/c2dt12415g","","","0.71073","MoKα","","0.0865","0.069","","","0.1894","0.1984","","","","","","1.066","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018901","11.0379","0.0001","16.0222","0.0002","20.8778","0.0003","77.187","0.001","82.664","0.001","75.705","0.001","3478.44","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H120 Cu2 Li2 O4 P4 -","- C64 H120 Cu2 Li2 O4 P4 -","- C128 H240 Cu4 Li4 O8 P8 -","2","1","","Harford, Philip J.; Haywood, Joanna; Smith, Matthew R.; Bhawal, Benjamin N.; Raithby, Paul R.; Uchiyama, Masanobu; Wheatley, Andrew E. H.","Expanding the tools available for direct ortho cupration ‒ targeting lithium phosphidocuprates","Dalton Transactions","2012","41","20","6148","","10.1039/c2dt12415g","","","0.71073","MoKα","","0.1083","0.0526","","","0.0957","0.1126","","","","","","1.009","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018902","12.67","0.002","9.8957","0.0017","17.469","0.003","90","","90","","90","","2190.2","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H5 Mo5 O23 Rb3 Se2 -","- H4 Mo5 O23 Rb3 Se2 -","- H16 Mo20 O92 Rb12 Se8 -","4","1","","Kong, Fang; Hu, Chun-Li; Xu, Xiang; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and SHG properties of a series of polar alkali-metal molybdenum(vi) selenites based on strandberg-type [Mo(5)O(15)(SeO(3))(2)](4-) polyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5687","5695","10.1039/c2dt12437h","","","0.71073","MoKα","","0.0496","0.0433","","","0.0955","0.0976","","","","","","1.044","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018903","10.0975","0.0019","23.503","0.004","10.669","0.002","90","","114.052","0.003","90","","2312.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H4 Mo5 O23 Rb4 Se2 -","- H4 Mo5 O23 Rb4 Se2 -","- H16 Mo20 O92 Rb16 Se8 -","4","1","","Kong, Fang; Hu, Chun-Li; Xu, Xiang; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and SHG properties of a series of polar alkali-metal molybdenum(vi) selenites based on strandberg-type [Mo(5)O(15)(SeO(3))(2)](4-) polyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5687","5695","10.1039/c2dt12437h","","","0.71073","MoKα","","0.0279","0.025","","","0.0571","0.0585","","","","","","1.015","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018904","19.615","0.006","10.247","0.003","12.076","0.004","90","","106.785","0.004","90","","2323.8","1.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H4 Mo5 O23 Rb4 Se2 -","- H4 Mo5 O23 Rb4 Se2 -","- H16 Mo20 O92 Rb16 Se8 -","4","1","","Kong, Fang; Hu, Chun-Li; Xu, Xiang; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and SHG properties of a series of polar alkali-metal molybdenum(vi) selenites based on strandberg-type [Mo(5)O(15)(SeO(3))(2)](4-) polyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5687","5695","10.1039/c2dt12437h","","","0.71073","MoKα","","0.0308","0.0285","","","0.0638","0.0752","","","","","","1.047","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018905","19.221","0.009","10.078","0.004","11.832","0.006","90","","106.593","0.006","90","","2196.5","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H4 K4 Mo5 O23 Se2 -","- H4 K4 Mo5 O23 Se2 -","- H16 K16 Mo20 O92 Se8 -","4","1","","Kong, Fang; Hu, Chun-Li; Xu, Xiang; Zhou, Tian-Hua; Mao, Jiang-Gao","Syntheses, crystal structures and SHG properties of a series of polar alkali-metal molybdenum(vi) selenites based on strandberg-type [Mo(5)O(15)(SeO(3))(2)](4-) polyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5687","5695","10.1039/c2dt12437h","","","0.71073","MoKα","","0.0321","0.0307","","","0.0681","0.0691","","","","","","1.06","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018906","9.3215","0.0017","19.009","0.003","13.182","0.002","90","","101.582","0.005","90","","2288.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis((μ2-3,5-bis(trifluoromethyl)pyrazolato)-bis(η2-ethylene)-rhodium(i))","","- C18 H18 F12 N4 Rh2 -","- C18 H18 F12 N4 Rh2 -","- C72 H72 F48 N16 Rh8 -","4","1","","Rivers, Joseph H.; Depue Anderson, Lauren J.; Starr, Cotton M. N.; Jones, Richard A.","Rhodium pyrazolate complexes as potential CVD precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5401","5408","10.1039/c2dt12450e","","","0.71069","MoKα","","0.0746","0.0487","","","0.0915","0.1002","","","","","","1.086","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018907","13.489","0.003","10.512","0.002","21.222","0.004","90","","104.98","0.03","90","","2906.9","1.1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ2-3,5-bis(trifluoromethyl)pyrazolato)-(μ2-chloro)-tetra(trimethylphosphine)-dirhodiumrhodium(i)","","- C17 H37 Cl F6 N2 P4 Rh2 -","- C17 H37 Cl F6 N2 P4 Rh2 -","- C68 H148 Cl4 F24 N8 P16 Rh8 -","4","1","","Rivers, Joseph H.; Depue Anderson, Lauren J.; Starr, Cotton M. N.; Jones, Richard A.","Rhodium pyrazolate complexes as potential CVD precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5401","5408","10.1039/c2dt12450e","","","0.71073","MoKα","","0.0543","0.0364","","","0.0751","0.0817","","","","","","1.022","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018908","21.7553","0.0005","9.3981","0.0002","12.6181","0.0003","90","","115.627","0.001","90","","2326.09","0.09","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","tris(trimethylphoshpine)-(3,5-bis(trifluoromethyl)pyrazolato)- rhodium(i)","","- C14 H28 F6 N2 P3 Rh -","- C14 H28 F6 N2 P3 Rh -","- C56 H112 F24 N8 P12 Rh4 -","4","1","","Rivers, Joseph H.; Depue Anderson, Lauren J.; Starr, Cotton M. N.; Jones, Richard A.","Rhodium pyrazolate complexes as potential CVD precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5401","5408","10.1039/c2dt12450e","","","0.71073","MoKα","","0.0421","0.0313","","","0.0533","0.0645","","","","","","1.063","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018909","11.0386","0.0003","15.8199","0.0004","39.769","0.0005","90","","93.99","0.02","90","","6928","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis((μ2-3,5-bis(trifluoromethyl)pyrazolato)-bis(trimethylphosphine)-rhodium(i))","","- C22 H38 F12 N4 P4 Rh2 -","- C22 H38 F12 N4 P4 Rh2 -","- C176 H304 F96 N32 P32 Rh16 -","8","2","","Rivers, Joseph H.; Depue Anderson, Lauren J.; Starr, Cotton M. N.; Jones, Richard A.","Rhodium pyrazolate complexes as potential CVD precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5401","5408","10.1039/c2dt12450e","","","0.71073","MoKα","","0.1108","0.0733","","","0.2079","0.2219","","","","","","1.855","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018910","9.2999","0.0004","16.5877","0.0009","9.4383","0.0004","90","","111.392","0.003","90","","1355.68","0.11","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","tetrakis-trimethylphosphine-rhodium(i) bis-trifluoromethyl-pyrazolate","","- C17 H37 F6 N2 P4 Rh -","- C17 H37 F6 N2 P4 Rh -","- C34 H74 F12 N4 P8 Rh2 -","2","1","","Rivers, Joseph H.; Depue Anderson, Lauren J.; Starr, Cotton M. N.; Jones, Richard A.","Rhodium pyrazolate complexes as potential CVD precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5401","5408","10.1039/c2dt12450e","","","0.71069","MoKα","","0.1572","0.0663","","","0.1138","0.1524","","","","","","1.007","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018911","24.568","0.002","12.4749","0.0007","23.1076","0.001","90","","106.704","0.006","90","","6783.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H66 Ag2 O7 P4 -","- C78 H66 Ag2 O7 P4 -","- C312 H264 Ag8 O28 P16 -","4","1","","Bowmaker, Graham A.; Hanna, John V.; Skelton, Brian W.; White, Allan H.","Mechanochemical and solution synthesis, and crystal structures and IR and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(i) mono- and di-hydrogencitrate systems.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5409","5417","10.1039/c2dt12452a","","","1.54184","CuKα","","0.1776","0.1271","","","0.3289","0.3519","","","","","","1.112","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018912","12.2314","0.0005","12.8542","0.0005","14.451","0.0004","82.679","0.002","87.727","0.003","64.362","0.004","2031.36","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H43 Ag O8 P2 -","- C44 H43 Ag O8 P2 -","- C88 H86 Ag2 O16 P4 -","2","1","","Bowmaker, Graham A.; Hanna, John V.; Skelton, Brian W.; White, Allan H.","Mechanochemical and solution synthesis, and crystal structures and IR and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(i) mono- and di-hydrogencitrate systems.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5409","5417","10.1039/c2dt12452a","","","0.71073","MoKα","","0.0647","0.0359","","","0.0687","0.0733","","","","","","0.904","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018913","7.837","0.004","12.342","0.006","13.048","0.007","108.194","0.005","90.845","0.006","90.795","0.006","1198.6","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O7 -","- C29 H22 N2 O7 -","- C58 H44 N4 O14 -","2","1","","Hou, Fengping; Cheng, Ju; Xi, Pinxian; Chen, Fengjuan; Huang, Liang; Xie, Gouqiang; Shi, Yanjun; Liu, Hongyan; Bai, Decheng; Zeng, Zhengzhi","Recognition of copper and hydrogen sulfide in vitro using a fluorescein derivative indicator","Dalton Transactions","2012","41","19","5799","","10.1039/c2dt12462a","","","0.71073","MoKα","","0.2081","0.0897","","","0.1529","0.1928","","","","","","0.997","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018914","18.5287","0.0005","15.2433","0.0004","13.3682","0.0003","90","","90","","90","","3775.69","0.17","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H20 B2 F8 Ni O2 S4 -","- C8 H20 B2 F8 Ni O2 S4 -","- C64 H160 B16 F64 Ni8 O16 S32 -","8","1","","Churchard, Andrew J.; Derzsi, Mariana; Jagličić, Zvonko; Remhof, Arndt; Grochala, Wojciech","Chemo-switched chromatic, magnetic and structural changes with retention of molecular crystallinity, Ni(12aneS(4))(BF(4))(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5172","5176","10.1039/c2dt12468h","powder diffraction","","0.80035","synchrotron","","","","","","","","","","0.0435","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018915","16.1254","0.0003","15.2621","0.0003","13.2577","0.0003","90","","90","","90","","3262.82","0.12","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 B2 F8 Ni S4 -","- C8 H16 B2 F8 Ni S4 -","- C64 H128 B16 F64 Ni8 S32 -","8","1","","Churchard, Andrew J.; Derzsi, Mariana; Jagličić, Zvonko; Remhof, Arndt; Grochala, Wojciech","Chemo-switched chromatic, magnetic and structural changes with retention of molecular crystallinity, Ni(12aneS(4))(BF(4))(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5172","5176","10.1039/c2dt12468h","powder diffraction","","0.80035","synchrotron","","","","","","","","","","0.0136","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018916","9.704","0.0006","9.7271","0.0005","17.0059","0.001","90","","103.674","0.003","90","","1559.72","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N2 P S -","- C17 H17 N2 P S -","- C68 H68 N8 P4 S4 -","4","1","","Sauerbrey, Susanne; Majhi, Paresh Kumar; Schnakenburg, Gregor; Arduengo Iii, Anthony J.; Streubel, Rainer","Synthesis, structure and reactivity of 4-phosphanylated 1,3-dialkyl-imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5368","5376","10.1039/c2dt12483a","","","0.71073","MoKα","","0.0966","0.0404","","","0.0662","0.0763","","","","","","0.869","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018917","5.8851","0.0001","21.3076","0.0006","17.9758","0.0005","90","","98.1495","0.0016","90","","2231.35","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N2 P S -","- C27 H21 N2 P S -","- C108 H84 N8 P4 S4 -","4","1","","Sauerbrey, Susanne; Majhi, Paresh Kumar; Schnakenburg, Gregor; Arduengo Iii, Anthony J.; Streubel, Rainer","Synthesis, structure and reactivity of 4-phosphanylated 1,3-dialkyl-imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5368","5376","10.1039/c2dt12483a","","","0.71073","MoKα","","0.0575","0.0392","","","0.0926","0.1012","","","","","","1.017","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018918","6.1718","0.0005","11.5856","0.001","17.6005","0.0016","90.656","0.004","91.442","0.005","100.489","0.006","1236.92","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 N2 O P S -","- C27 H21 N2 O P S -","- C54 H42 N4 O2 P2 S2 -","2","1","","Sauerbrey, Susanne; Majhi, Paresh Kumar; Schnakenburg, Gregor; Arduengo Iii, Anthony J.; Streubel, Rainer","Synthesis, structure and reactivity of 4-phosphanylated 1,3-dialkyl-imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5368","5376","10.1039/c2dt12483a","","","0.71073","MoKα","","0.1082","0.047","","","0.0892","0.0998","","","","","","0.825","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018919","10.9872","0.0005","17.9986","0.0008","9.5368","0.0004","90","","96.234","0.003","90","","1874.79","0.14","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N2 O P S -","- C19 H21 N2 O P S -","- C76 H84 N8 O4 P4 S4 -","4","1","","Sauerbrey, Susanne; Majhi, Paresh Kumar; Schnakenburg, Gregor; Arduengo Iii, Anthony J.; Streubel, Rainer","Synthesis, structure and reactivity of 4-phosphanylated 1,3-dialkyl-imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5368","5376","10.1039/c2dt12483a","","","0.71073","MoKα","","0.0791","0.0409","","","0.0899","0.1013","","","","","","0.936","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018920","11.4324","0.0004","13.1652","0.0005","17.5344","0.0006","92.807","0.003","90.312","0.002","99.283","0.002","2601.17","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H50 N4 P2 S4 -","- C61 H50 N4 P2 S4 -","- C122 H100 N8 P4 S8 -","2","1","","Sauerbrey, Susanne; Majhi, Paresh Kumar; Schnakenburg, Gregor; Arduengo Iii, Anthony J.; Streubel, Rainer","Synthesis, structure and reactivity of 4-phosphanylated 1,3-dialkyl-imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5368","5376","10.1039/c2dt12483a","","","0.71073","MoKα","","0.0715","0.0453","","","0.1115","0.1234","","","","","","1.008","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018921","49.257","0.002","8.8837","0.0004","27.5328","0.0013","90","","105.178","0.001","90","","11627.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N2 P S Se -","- C19 H21 N2 P S Se -","- C456 H504 N48 P24 S24 Se24 -","24","3","","Sauerbrey, Susanne; Majhi, Paresh Kumar; Schnakenburg, Gregor; Arduengo Iii, Anthony J.; Streubel, Rainer","Synthesis, structure and reactivity of 4-phosphanylated 1,3-dialkyl-imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5368","5376","10.1039/c2dt12483a","","","0.71073","MoKα","","0.0557","0.039","","","0.0928","0.1007","","","","","","1.015","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018922","19.7156","0.0009","35.621","0.0016","9.8574","0.0005","90","","90","","90","","6922.7","0.6","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C17 H17 N2 P S Se -","- C17 H17 N2 P S Se -","- C272 H272 N32 P16 S16 Se16 -","16","1","","Sauerbrey, Susanne; Majhi, Paresh Kumar; Schnakenburg, Gregor; Arduengo Iii, Anthony J.; Streubel, Rainer","Synthesis, structure and reactivity of 4-phosphanylated 1,3-dialkyl-imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5368","5376","10.1039/c2dt12483a","","","0.71073","MoKα","","0.0368","0.0284","","","0.0499","0.0519","","","","","","0.935","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018923","13.0503","0.0014","14.0662","0.0015","17.4386","0.0019","79.75","0.002","73.805","0.002","64.567","0.002","2770","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H60 Cu4 Ge Mo9 N12 O38 -","- C12 H48 Cu4 Ge Mo9 N12 O38 -","- C24 H96 Cu8 Ge2 Mo18 N24 O76 -","2","1","","Li, Suzhi; Guo, Yuan Yuan; Zhang, Dongdi; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang","Four di-Cu(II)-substituted sandwich-type germanomolybdates obtained under different reaction conditions: from zero-dimensional to two-dimensional structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5235","5240","10.1039/c2dt12491b","","","0.71073","MoKα","","0.0606","0.0505","","","0.1374","0.1429","","","","","","1.027","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018924","32.627","0.008","11.861","0.003","22.294","0.006","90","","96.013","0.005","90","","8580","4","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H53 Cu2 Ge2 Mo18 N4 Na O79 -","- C4 H20 Cu2 Ge2 Mo18 N4 Na O79 -","- C16 H80 Cu8 Ge8 Mo72 N16 Na4 O316 -","4","0.5","","Li, Suzhi; Guo, Yuan Yuan; Zhang, Dongdi; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang","Four di-Cu(II)-substituted sandwich-type germanomolybdates obtained under different reaction conditions: from zero-dimensional to two-dimensional structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5235","5240","10.1039/c2dt12491b","","","0.71073","MoKα","","0.0785","0.0489","","","0.1376","0.1528","","","","","","1.015","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018925","12.68","0.006","13.08","0.007","18.38","0.009","109.12","0.009","93.601","0.01","114.369","0.009","2553","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H101 Cu3 Ge2 Mo18 N8 Na5 O98 -","- C8 H36 Cu3 Ge2 Mo18 N8 Na5 O98 -","- C8 H36 Cu3 Ge2 Mo18 N8 Na5 O98 -","1","0.5","","Li, Suzhi; Guo, Yuan Yuan; Zhang, Dongdi; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang","Four di-Cu(II)-substituted sandwich-type germanomolybdates obtained under different reaction conditions: from zero-dimensional to two-dimensional structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5235","5240","10.1039/c2dt12491b","","","0.71073","MoKα","","0.104","0.0718","","","0.1985","0.2134","","","","","","1.012","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018926","12.482","0.007","12.791","0.008","17.272","0.015","101.422","0.014","98.402","0.013","115.982","0.01","2343","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Ge2 H74 Mo18 Na8 O101 -","- Cu2 Ge2 Mo18 Na8 O101 -","- Cu2 Ge2 Mo18 Na8 O101 -","1","0.5","","Li, Suzhi; Guo, Yuan Yuan; Zhang, Dongdi; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang","Four di-Cu(II)-substituted sandwich-type germanomolybdates obtained under different reaction conditions: from zero-dimensional to two-dimensional structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5235","5240","10.1039/c2dt12491b","","","0.71073","MoKα","","0.0671","0.0538","","","0.1284","0.1323","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018927","19.306","0.006","17.072","0.005","22.603","0.006","90","","90","","90","","7450","4","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 N4 O3 P Si4 W -","- C24 H63 N4 O3 P Si4 W -","- C192 H504 N32 O24 P8 Si32 W8 -","8","1","","Kovalenko, Oleksandr O.; Kinzhybalo, Vasyl; Lis, Tadeusz; Khavryuchenko, Oleksiy V.; Rusanov, Eduard B.; Brusilovets, Anatolii I.","Reaction of N[triple bond, length as m-dash]W(O(t)Bu)(3) with σ(3)λ(5)-phosphoranes. The [2 + 2] cycloaddition across the W[triple bond, length as m-dash]N triple bond results in the first representative of an inorganic four-membered metallacycle with conjugated endo- and exocyclic double bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5132","5136","10.1039/c2dt12492k","","","0.71073","MoKα","","0.0286","0.0175","","","0.0379","0.0388","","","","","","1.016","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018928","19.321","0.006","10.967","0.003","32.293","0.01","90","","99.94","0.03","90","","6740","4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 N3 O3 P S Si2 W -","- C22 H54 N3 O3 P S Si2 W -","- C176 H432 N24 O24 P8 S8 Si16 W8 -","8","2","","Kovalenko, Oleksandr O.; Kinzhybalo, Vasyl; Lis, Tadeusz; Khavryuchenko, Oleksiy V.; Rusanov, Eduard B.; Brusilovets, Anatolii I.","Reaction of N[triple bond, length as m-dash]W(O(t)Bu)(3) with σ(3)λ(5)-phosphoranes. The [2 + 2] cycloaddition across the W[triple bond, length as m-dash]N triple bond results in the first representative of an inorganic four-membered metallacycle with conjugated endo- and exocyclic double bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5132","5136","10.1039/c2dt12492k","","","0.71073","MoKα","","0.0619","0.0401","","","0.0717","0.078","","","","","","1.018","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018929","9.602","0.0001","9.602","0.0001","8.6889","0.0002","90","","90","","120","","693.775","0.019","93","2","93","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Ge S6 -","- Ba Ga2.01 Ge0.99 S6 -","- Ba3 Ga6.03 Ge2.97 S18 -","3","0.333333","","Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5653","5661","10.1039/c2dt12493a","","","0.71073","MoKα","","0.0177","0.0176","","","0.0386","0.0387","","","","","","0.856","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018930","10.0075","0.0014","10.0075","0.0014","9.0903","0.0018","90","","90","","120","","788.4","0.2","93","2","93","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Ge Se6 -","- Ba Ga2.01 Ge0.99 Se6 -","- Ba3 Ga6.03 Ge2.97 Se18 -","3","0.333333","","Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5653","5661","10.1039/c2dt12493a","","","0.71073","MoKα","","0.0288","0.0266","","","0.0505","0.0509","","","","","","0.846","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018931","9.5544","0.0002","9.5544","0.0002","8.6498","0.0004","90","","90","","120","","683.82","0.04","93","2","93","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 S6 Si -","- Ba Ga2.01 S6 Si0.99 -","- Ba3 Ga6.03 S18 Si2.97 -","3","0.333333","","Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5653","5661","10.1039/c2dt12493a","","","0.71073","MoKα","","0.0144","0.0144","","","0.0313","0.0313","","","","","","1.02","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018932","9.9666","0.0014","9.9666","0.0014","9.0471","0.0018","90","","90","","120","","778.3","0.2","93","2","93","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Se6 Si -","- Ba Ga2.01 Se6 Si0.99 -","- Ba3 Ga6.03 Se18 Si2.97 -","3","0.333333","","Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5653","5661","10.1039/c2dt12493a","","","0.71073","MoKα","","0.0486","0.0443","","","0.0878","0.0888","","","","","","0.836","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018933","10.092","0.002","6.8365","0.0014","26.072","0.005","90","","90.17","0.03","90","","1798.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Mn4 N14 O13 -","- C26 H28 Mn4 N14 O13 -","- C52 H56 Mn8 N28 O26 -","2","0.5","","Liu, Dongsheng; Sui, Yan; Wang, Tianwei; Huang, Changcang; Chen, Jianzhong; You, Xiaozeng","Two isomorphous Mn(ii) and Co(ii) 5-amino-tetrazolate coordination polymers with magnetic Δ-chains: crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5301","5306","10.1039/c2dt12495e","","","0.71073","MoKα","","0.0626","0.0563","","","0.1448","0.1492","","","","","","1.098","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018934","9.913","0.002","6.6138","0.0013","25.912","0.005","90","","90.35","0.03","90","","1698.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Co4 N14 O13 -","- C26 H28 Co4 N14 O13 -","- C52 H56 Co8 N28 O26 -","2","0.5","","Liu, Dongsheng; Sui, Yan; Wang, Tianwei; Huang, Changcang; Chen, Jianzhong; You, Xiaozeng","Two isomorphous Mn(ii) and Co(ii) 5-amino-tetrazolate coordination polymers with magnetic Δ-chains: crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5301","5306","10.1039/c2dt12495e","","","0.71073","MoKα","","0.0573","0.052","","","0.1571","0.1619","","","","","","1.072","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018935","7.0408","0.0001","15.0871","0.0002","14.2086","0.0002","90","","99.017","0.002","90","","1490.66","0.04","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H15 B9 I N S -","- C7 H15 B9 I N S -","- C28 H60 B36 I4 N4 S4 -","4","1","","Frank, René; Grell, Toni; Hiller, Markus; Hey-Hawkins, Evamarie","Electrophilic substitution of the nido-dicarbaborate anion 7,8-nido-C2B9H12− with sulfenyl chlorides","Dalton Transactions","2012","41","20","6155","","10.1039/c2dt12501c","","","0.71073","MoKα","","0.0216","0.0186","","","0.0454","0.0466","","","","","","1.056","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018936","9.778","0.0004","12.8059","0.0005","17.2117","0.0005","90","","90","","90","","2155.18","0.14","130","2","130.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 B9 I N2 O2 S -","- C12 H26 B9 I N2 O2 S -","- C48 H104 B36 I4 N8 O8 S4 -","4","1","","Frank, René; Grell, Toni; Hiller, Markus; Hey-Hawkins, Evamarie","Electrophilic substitution of the nido-dicarbaborate anion 7,8-nido-C2B9H12− with sulfenyl chlorides","Dalton Transactions","2012","41","20","6155","","10.1039/c2dt12501c","","","0.71073","MoKα","","0.0831","0.0484","","","0.0563","0.0637","","","","","","0.97","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018937","6.9282","0.0002","10.5139","0.0002","24.18","0.0004","90","","90","","90","","1761.33","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 B9 I N2 S -","- C7 H22 B9 I N2 S -","- C28 H88 B36 I4 N8 S4 -","4","1","","Frank, René; Grell, Toni; Hiller, Markus; Hey-Hawkins, Evamarie","Electrophilic substitution of the nido-dicarbaborate anion 7,8-nido-C2B9H12− with sulfenyl chlorides","Dalton Transactions","2012","41","20","6155","","10.1039/c2dt12501c","","","0.71073","MoKα","","0.0317","0.0281","","","0.0562","0.0575","","","","","","1.071","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018938","18.367","0.002","17.309","0.002","13.316","0.003","90","","108.167","0.016","90","","4022.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17.5 N3 O5.75 V -","- C20 H16 N3 O5.75 V -","- C160 H128 N24 O46 V8 -","8","1","","Si, Tapan K.; Paul, Shiv S.; Drew, Michael G. B.; Mukherjea, Kalyan K.","Synthesis, structural characterization and catalytic activity of a multifunctional enzyme mimetic oxoperoxovanadium(v) complex","Dalton Transactions","2012","41","19","5805","","10.1039/c2dt12505f","","","0.71073","MoKα","","0.1072","0.074","","","0.1728","0.1905","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018939","10.483","0.0002","9.8797","0.0003","48.4808","0.0013","90","","93.39","0.002","90","","5012.3","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 As P S -","- C30 H24 As P S -","- C240 H192 As8 P8 S8 -","8","2","","Sárosi, Imola; Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Hey-Hawkins, Evamarie","Reaction of a heterotopic P,SAs ligand with group 10 metal(ii) complexes: As-S bond cleavage and the formation of two unusual trinuclear structural isomers for Pd and Pt.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5326","5333","10.1039/c2dt12506d","","","0.71073","MoKα","","0.0989","0.0721","","","0.13","0.1355","","","","","","1.124","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018940","19.6305","0.0002","11.4076","0.0001","23.9533","0.0002","90","","96.739","0.001","90","","5326.97","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 Cl5 P3 Pd3 S3 -","- C54.996 H43.992 Cl4.992 P3 Pd3 S3 -","- C219.984 H175.968 Cl19.968 P12 Pd12 S12 -","4","1","","Sárosi, Imola; Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Hey-Hawkins, Evamarie","Reaction of a heterotopic P,SAs ligand with group 10 metal(ii) complexes: As-S bond cleavage and the formation of two unusual trinuclear structural isomers for Pd and Pt.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5326","5333","10.1039/c2dt12506d","","","0.71073","MoKα","","0.0561","0.0303","","","0.0486","0.0511","","","","","","0.809","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018941","17.0782","0.0004","11.9468","0.0003","28.354","0.0007","90","","100.312","0.002","90","","5691.6","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Cl7 P3 Pd3 S3 -","- C56 H46 Cl7 P3 Pd3 S3 -","- C224 H184 Cl28 P12 Pd12 S12 -","4","1","","Sárosi, Imola; Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Hey-Hawkins, Evamarie","Reaction of a heterotopic P,SAs ligand with group 10 metal(ii) complexes: As-S bond cleavage and the formation of two unusual trinuclear structural isomers for Pd and Pt.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5326","5333","10.1039/c2dt12506d","","","0.71073","MoKα","","0.1129","0.0691","","","0.1048","0.1182","","","","","","1.08","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018942","23.3381","0.0004","11.4452","0.0001","23.9386","0.0004","90","","112.458","0.002","90","","5909.28","0.17","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Cl4 I3 P3 Pt3 S3 -","- C56 H46 Cl4 I3 P3 Pt3 S3 -","- C224 H184 Cl16 I12 P12 Pt12 S12 -","4","1","","Sárosi, Imola; Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Hey-Hawkins, Evamarie","Reaction of a heterotopic P,SAs ligand with group 10 metal(ii) complexes: As-S bond cleavage and the formation of two unusual trinuclear structural isomers for Pd and Pt.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5326","5333","10.1039/c2dt12506d","","","0.71073","MoKα","","0.0478","0.0347","","","0.0637","0.0684","","","","","","1.025","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018943","14.2175","0.0002","23.0616","0.0003","20.2971","0.0003","90","","105.754","0.001","90","","6404.99","0.16","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56.5 H44.5 Cl7.5 I3 P3 Pt3 S3 -","- C56.499 H44.499 Cl7.497 I3 P3 Pt3 S3 -","- C225.996 H177.996 Cl29.988 I12 P12 Pt12 S12 -","4","1","","Sárosi, Imola; Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Hey-Hawkins, Evamarie","Reaction of a heterotopic P,SAs ligand with group 10 metal(ii) complexes: As-S bond cleavage and the formation of two unusual trinuclear structural isomers for Pd and Pt.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5326","5333","10.1039/c2dt12506d","","","0.71073","MoKα","","0.037","0.0264","","","0.0462","0.0493","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018944","8.4798","0.0003","20.8033","0.0007","21.2503","0.0008","90","","92.601","0.002","90","","3744.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H31 Cu3 N9 O6 -","- C40 H31 Cu3 N9 O6 -","- C160 H124 Cu12 N36 O24 -","4","1","","Chakraborty, Anindita; Gurunatha, K. L.; Muthulakshmi, A.; Dutta, Sudipta; Pati, Swapan K.; Maji, Tapas Kumar","Assembly of trinuclear and tetranuclear building units of Cu(2+) towards two 1D magnetic systems: synthesis and magneto-structural correlations.","Dalton transactions (Cambridge, England : 2003)","2012","41","19","5879","5888","10.1039/c2dt12511k","","","0.71073","MoKα","","0.1653","0.0648","","","0.1132","0.1464","","","","","","0.967","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018945","7.9039","0.0002","15.7253","0.0004","27.7552","0.0008","90","","90","","90","","3449.73","0.16","298","2","298","2","","","","","","","","6","P b n 21","P 2c -2ab","33","","","","- C28 H35 Cl Cu4 N4 O15 -","- C28 H35 Cl Cu4 N4 O15 -","- C112 H140 Cl4 Cu16 N16 O60 -","4","1","","Chakraborty, Anindita; Gurunatha, K. L.; Muthulakshmi, A.; Dutta, Sudipta; Pati, Swapan K.; Maji, Tapas Kumar","Assembly of trinuclear and tetranuclear building units of Cu(2+) towards two 1D magnetic systems: synthesis and magneto-structural correlations.","Dalton transactions (Cambridge, England : 2003)","2012","41","19","5879","5888","10.1039/c2dt12511k","","","0.71073","MoKα","","0.0787","0.0635","","","0.1563","0.1762","","","","","","1.081","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018946","13.5294","0.0011","17.7456","0.0015","16.38","0.0013","90","","94.896","0.002","90","","3918.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 B2 Cl2 Co F2 N6 O6 -","- C37 H36 B2 Cl2 Co F2 N6 O6 -","- C148 H144 B8 Cl8 Co4 F8 N24 O24 -","4","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.1187","0.0485","","","0.0703","0.0782","","","","","","1.004","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018947","15.485","0.002","13.6509","0.0018","17.84","0.003","90","","92.809","0.003","90","","3766.6","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B2 Cl7 Co F2 N6 O6 -","- C32 H23 B2 Cl7 Co F2 N6 O6 -","- C128 H92 B8 Cl28 Co4 F8 N24 O24 -","4","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.1346","0.0763","","","0.1485","0.1698","","","","","","0.999","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018948","10.555","0.004","12.885","0.004","15.48","0.005","83.991","0.007","87.57","0.007","86.593","0.007","2088.6","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H42 B2 Cl2 Co F2 N8 O6 -","- C39 H42 B2 Cl2 Co F2 N8 O6 -","- C78 H84 B4 Cl4 Co2 F4 N16 O12 -","2","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.0583","0.0496","","","0.1035","0.1089","","","","","","1.006","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018949","21.434","0.004","17.448","0.003","21.475","0.004","90","","90","","90","","8031","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H36 B2 Cl Co F2 N7 O6 -","- C40 H36 B2 Cl Co F2 N7 O6 -","- C320 H288 B16 Cl8 Co8 F16 N56 O48 -","8","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.1351","0.0871","","","0.1724","0.1941","","","","","","0.997","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018950","12.3008","0.0012","14.607","0.002","26.589","0.004","90","","90","","90","","4777.5","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 B2 Co F2 N6 O8 -","- C50 H50 B2 Co F2 N6 O8 -","- C200 H200 B8 Co4 F8 N24 O32 -","4","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.0805","0.0474","","","0.0741","0.0844","","","","","","1.034","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018951","11.041","0.002","12.489","0.003","24.3","0.005","90","","90","","90","","3350.8","1.2","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 B2 Co F2 N6 O6 S2 -","- C32 H24 B2 Co F2 N6 O6 S2 -","- C128 H96 B8 Co4 F8 N24 O24 S8 -","4","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.1069","0.0588","","","0.1214","0.1476","","","","","","1.044","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018952","10.4302","0.0002","10.4302","0.0002","55.1896","0.0013","90","","90","","120","","5199.64","0.19","130","1","130","1","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H20 Cs3 Eu N6 O19 -","- C18 H18 Cs3 Eu N6 O19 -","- C108 H108 Cs18 Eu6 N36 O114 -","6","0.5","","Moore, Evan G.","A comparison of sensitized Ln(iii) emission using pyridine- and pyrazine-2,6-dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5272","5279","10.1039/c2dt30062a","","","0.71073","MoKα","","0.0869","0.0865","","","0.2081","0.2083","","","","","","1.311","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018953","15.4308","0.0005","16.6886","0.0006","14.3795","0.0006","90","","94.631","0.003","90","","3690.9","0.2","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H24 Cl4 N8 O Pd3 -","- C36 H24 Cl3.99 N8 O Pd3 -","- C144 H96 Cl15.96 N32 O4 Pd12 -","4","1","","Yang, Fu-Ming; Chen, Po-Yuan; Lee, Chun-Chin; Liu, Yi-Hung; Peng, Shie-Ming; Chou, Pi-Tai; Liu, Shiuh-Tzung","A water soluble and air-stable tripalladium cluster","Dalton Transactions","2012","41","19","5782","","10.1039/c2dt30079f","","","0.71073","MoKα","","0.0681","0.0419","","","0.1492","0.1563","","","","","","1.007","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018954","19.4036","0.0003","18.7413","0.0002","23.7872","0.0003","90","","90","","90","","8650.2","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H40 Cl6 Co N8 O3 Pd3 -","- C36 H24 Cl6 Co N8 Pd3 -","- C288 H192 Cl48 Co8 N64 Pd24 -","8","1","","Yang, Fu-Ming; Chen, Po-Yuan; Lee, Chun-Chin; Liu, Yi-Hung; Peng, Shie-Ming; Chou, Pi-Tai; Liu, Shiuh-Tzung","A water soluble and air-stable tripalladium cluster","Dalton Transactions","2012","41","19","5782","","10.1039/c2dt30079f","","","0.71073","MoKα","","0.0361","0.0241","","","0.0654","0.0677","","","","","","0.915","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018955","14.029","0.003","21.253","0.005","43.06","0.01","90","","90","","90","","12839","5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","mercuryarenide","","","- C72 H144 As14 Hg2 K4 N8 O24 -","- C72 H144 As14 Hg2 K4 N8 O24 -","- C288 H576 As56 Hg8 K16 N32 O96 -","4","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","On the stability of an unsupported mercury-mercury bond linking group 15 Zintl clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5454","5457","10.1039/c2dt30083d","","","0.71073","MoKα","","0.1198","0.0642","","","0.1168","0.1327","","","","","","0.887","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018956","12.5761","0.0005","12.5761","0.0005","17.6463","0.0009","90","","90","","120","","2417","0.18","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Al2 F12 N24 Zn3 -","- C12 H24 Al2 F12 N24 Zn3 -","- C36 H72 Al6 F36 N72 Zn9 -","3","0.166667","","Martineau, Charlotte; Cadiau, Amandine; Bouchevreau, Boris; Senker, Jürgen; Taulelle, Francis; Adil, Karim","SMARTER crystallography of the fluorinated inorganic‒organic compound Zn3Al2F12·[HAmTAZ]6","Dalton Transactions","2012","41","20","6232","","10.1039/c2dt30100h","","","0.71073","MoKα","","0.0233","0.0216","","","0.0583","0.0593","","","","","","1.083","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018957","28.0546","0.0004","28.0546","0.0004","28.0546","0.0004","90","","90","","90","","22080.7","0.5","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C119.5 H89.5 Co10 N14.5 O26.5 -","- C112 H72 Co10 N12 O24 -","- C896 H576 Co80 N96 O192 -","8","0.333333","","Wang, Lei; Li, Yi; Peng, Yu; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren","A novel decanuclear Co(ii) cluster with adamantane-like metallic skeleton supported by 8-hydroxyquinoline and in situ formed CO32− anions","Dalton Transactions","2012","41","20","6242","","10.1039/c2dt30102d","","","0.71073","MoKα","","0.1864","0.0575","","","0.1205","0.1391","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018958","41.285","0.008","41.285","0.008","17.489","0.003","90","","90","","120","","25815","8","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C44 H17 Br N0 O13 Zn4 -","- C44 H20 Br O13 Zn4 -","- C264 H120 Br6 O78 Zn24 -","6","0.5","","Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.","Functional tolerance in an isoreticular series of highly porous metal‒organic frameworks","Dalton Transactions","2012","41","20","6277","","10.1039/c2dt30120b","","","0.71073","MoKα","","0.143","0.0713","","","0.1745","0.1991","","","","","","0.862","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018959","41.247","0.007","41.247","0.007","17.447","0.003","90","","90","","120","","25706","8","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C42 H17 Cl N0 O13 Zn4 -","- C42 H17 Cl O13 Zn4 -","- C252 H102 Cl6 O78 Zn24 -","6","0.5","","Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.","Functional tolerance in an isoreticular series of highly porous metal‒organic frameworks","Dalton Transactions","2012","41","20","6277","","10.1039/c2dt30120b","","","0.71073","MoKα","","0.1271","0.0966","","","0.2456","0.2671","","","","","","1.038","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018960","41.345","0.002","41.345","0.002","17.5177","0.0009","90","","90","","120","","25933","2","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C43.5 H18 I N0 O13 Zn4 -","- C42.2 H16 I0.6 O13 Zn4 -","- C253.2 H96 I3.6 O78 Zn24 -","6","0.5","","Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.","Functional tolerance in an isoreticular series of highly porous metal‒organic frameworks","Dalton Transactions","2012","41","20","6277","","10.1039/c2dt30120b","","","0.71073","MoKα","","0.1266","0.0819","","","0.2308","0.264","","","","","","0.775","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018961","41.336","0.003","41.336","0.003","17.554","0.003","90","","90","","120","","25975","5","200","2","200","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C44 H0 Br0.5 O13 Zn4 -","- C42.5 H16 Br0.48 O13 Zn4 -","- C255 H96 Br2.88 O78 Zn24 -","6","0.5","","Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.","Functional tolerance in an isoreticular series of highly porous metal‒organic frameworks","Dalton Transactions","2012","41","20","6277","","10.1039/c2dt30120b","","","0.71073","MoKα","","0.119","0.0716","","","0.1895","0.2129","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018962","41.367","0.004","41.367","0.004","17.5389","0.0017","90","","90","","120","","25992","4","200","2","200","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C44 H0 O13 Zn4 -","- C42 H18 O13.5 Zn4 -","- C252 H108 O81 Zn24 -","6","0.5","","Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.","Functional tolerance in an isoreticular series of highly porous metal‒organic frameworks","Dalton Transactions","2012","41","20","6277","","10.1039/c2dt30120b","","","0.71073","MoKα","","0.122","0.0683","","","0.1981","0.2385","","","","","","0.78","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018963","41.351","0.004","41.351","0.004","17.5266","0.0016","90","","90","","120","","25954","4","200","2","200","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C46 H0 O15 Zn4 -","- C45 H16 O15 Zn4 -","- C270 H96 O90 Zn24 -","6","0.5","","Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.","Functional tolerance in an isoreticular series of highly porous metal–organic frameworks","Dalton Transactions","2012","41","20","6277","","10.1039/c2dt30120b","","","0.71073","MoKα","","0.0819","0.0621","","","0.179","0.196","","","","","","0.624","","","","has coordinates,has disorder","288645","2024-01-03","15:04:00",""
"7018964","41.283","0.003","41.283","0.003","17.5145","0.0011","90","","90","","120","","25851","3","200","2","200","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C46 H0 O14 Zn4 -","- C42 H16 O14 Zn4 -","- C252 H96 O84 Zn24 -","6","0.5","","Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M.","Functional tolerance in an isoreticular series of highly porous metal‒organic frameworks","Dalton Transactions","2012","41","20","6277","","10.1039/c2dt30120b","","","0.71073","MoKα","","0.1072","0.0653","","","0.1933","0.2193","","","","","","0.709","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018965","21.3151","0.0015","12.4458","0.001","20.0612","0.0013","90","","121.761","0.006","90","","4525","0.6","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Cl2 Mn2 N6 O13 -","- C36 H32 Cl2 Mn2 N6 O13 -","- C144 H128 Cl8 Mn8 N24 O52 -","4","0.5","","Berends, Hans-Martin; Manke, Anne-Marie; Näther, Christian; Tuczek, Felix; Kurz, Philipp","A manganese oxido complex bearing facially coordinating trispyridyl ligands ‒ is coordination geometry crucial for water oxidation catalysis?","Dalton Transactions","2012","41","20","6215","","10.1039/c2dt30129f","","","0.71073","MoKα","","0.0815","0.0533","","","0.1304","0.1411","","","","","","0.944","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018966","7.1","0.004","8.9","0.005","11.174","0.005","71.12","0.02","88.459","0.017","75.42","0.02","645.4","0.6","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Ag(OX3)(ONO2)]","","- C12 H12 Ag N3 O5 -","- C12 H12 Ag N3 O5 -","- C24 H24 Ag2 N6 O10 -","2","1","","Zhao, Yue; Zhou, Xin; Okamura, Taka-aki; Chen, Min; Lu, Yi; Sun, Wei-Yin; Yu, Jin-Quan","Silver supramolecule catalyzed multicomponent reactions under mild conditions","Dalton Transactions","2012","41","19","5889","","10.1039/c2dt30134b","","","0.71075","MoKα","","0.0319","0.028","","","0.0664","0.0677","","","","","","1.092","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018967","12.0599","0.0007","12.2821","0.0011","16.239","0.0008","90","","90","","90","","2405.3","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N2 Sb Se -","- C26 H27 N2 Sb Se -","- C104 H108 N8 Sb4 Se4 -","4","1","","Simon, Petr; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; De Proft, Frank; Dostál, Libor","Monomeric organoantimony(iii) sulphide and selenide with terminal Sb-E bond (E = S, Se). Synthesis, structure and theoretical consideration.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5140","5143","10.1039/c2dt30146f","","","0.71073","MoKα","","0.033","0.0243","","","0.0509","0.0555","","","","","","1.09","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018968","12.1292","0.0007","12.1288","0.0017","16.2089","0.0018","90","","90","","90","","2384.5","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N2 S Sb -","- C26 H27 N2 S Sb -","- C104 H108 N8 S4 Sb4 -","4","1","","Simon, Petr; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; De Proft, Frank; Dostál, Libor","Monomeric organoantimony(iii) sulphide and selenide with terminal Sb-E bond (E = S, Se). Synthesis, structure and theoretical consideration.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5140","5143","10.1039/c2dt30146f","","","0.71073","MoKα","","0.0564","0.0451","","","0.101","0.1096","","","","","","1.136","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018969","6.492","0.003","11.653","0.005","22.139","0.009","98.79","0.05","96.86","0.05","93.9","0.05","1637","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H52 N2 O2 -","- C33 H52 N2 O2 -","- C66 H104 N4 O4 -","2","1","","Kober, Ewa; Nerkowski, Tomasz; Janas, Zofia; Jerzykiewicz, Lucjan B.","Vanadate complexes bearing an imidazolidine-bridged bis(aryloxido) ligand: synthesis and solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5188","5192","10.1039/c2dt30153a","","","0.71073","MoKα","","0.1199","0.0635","","","0.1362","0.1488","","","","","","1.068","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018970","20.159","0.017","12.469","0.01","8.897","0.008","90","","100.465","0.015","90","","2199","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Fe2 N4 Na2 O24 -","- C36 H44 Fe2 N4 Na2 O21.296 -","- C72 H88 Fe4 N8 Na4 O42.592 -","2","0.5","","Liu, Gui-lei; He, Shu-fang; Zhang, Shaowen; Li, Hui","In situ ligand and complex transformation of an iron(iii) Schiff base complex: structural evidence and theoretical calculations","Dalton Transactions","2012","41","20","6256","","10.1039/c2dt30162h","","","0.71073","MoKα","","0.1124","0.0734","","","0.172","0.1992","","","","","","0.94","","","","has coordinates","291143","2024-04-09","08:48:21",""
"7018971","10.582","0.002","13.473","0.003","14.861","0.003","90","0.03","75.51","0.03","69.66","0.03","1914.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18.5 Fe N O8.75 -","- C16 H18.5 Fe N O8.75 -","- C64 H74 Fe4 N4 O35 -","4","2","","Liu, Gui-lei; He, Shu-fang; Zhang, Shaowen; Li, Hui","In situ ligand and complex transformation of an iron(iii) Schiff base complex: structural evidence and theoretical calculations","Dalton Transactions","2012","41","20","6256","","10.1039/c2dt30162h","","","0.71073","MoKα","","0.1104","0.091","","","0.2615","0.2808","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018972","9.162","0.002","11.9463","0.0012","12.1414","0.0012","117.089","0.001","98.242","0.002","99.395","0.002","1130.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 Gd2 N16 O20 -","- C32 H42 Gd2 N16 O20 -","- C32 H42 Gd2 N16 O20 -","1","0.5","","Liang, Li; Peng, Guo; Li, Guizhu; Lan, Yanhua; Powell, Annie K.; Deng, Hong","In situ hydrothermal synthesis of dysprosium(iii) single-molecule magnet with lanthanide salt as catalyst","Dalton Transactions","2012","41","19","5816","","10.1039/c2dt30175j","","","0.71073","MoKα","","0.0223","0.0204","","","0.0482","0.0492","","","","","","1.03","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018973","9.1459","0.0018","11.9522","0.001","12.1423","0.001","117.275","0.001","98.112","0.001","99.435","0.001","1127.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N16 O20 Tb2 -","- C32 H42 N16 O20 Tb2 -","- C32 H42 N16 O20 Tb2 -","1","0.5","","Liang, Li; Peng, Guo; Li, Guizhu; Lan, Yanhua; Powell, Annie K.; Deng, Hong","In situ hydrothermal synthesis of dysprosium(iii) single-molecule magnet with lanthanide salt as catalyst","Dalton Transactions","2012","41","19","5816","","10.1039/c2dt30175j","","","0.71073","MoKα","","0.0229","0.021","","","0.0489","0.0498","","","","","","1.018","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018974","9.164","0.003","11.934","0.0017","12.1166","0.0017","117.378","0.001","98.139","0.002","99.356","0.002","1125.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 Dy2 N16 O20 -","- C32 H42 Dy2 N16 O20 -","- C32 H42 Dy2 N16 O20 -","1","0.5","","Liang, Li; Peng, Guo; Li, Guizhu; Lan, Yanhua; Powell, Annie K.; Deng, Hong","In situ hydrothermal synthesis of dysprosium(iii) single-molecule magnet with lanthanide salt as catalyst","Dalton Transactions","2012","41","19","5816","","10.1039/c2dt30175j","","","0.71073","MoKα","","0.0249","0.0235","","","0.0584","0.0591","","","","","","1.096","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018975","9.169","0.004","11.884","0.002","12.081","0.002","117.455","0.002","98.129","0.003","99.353","0.003","1116.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 Er2 N16 O20 -","- C32 H42 Er2 N16 O20 -","- C32 H42 Er2 N16 O20 -","1","0.5","","Liang, Li; Peng, Guo; Li, Guizhu; Lan, Yanhua; Powell, Annie K.; Deng, Hong","In situ hydrothermal synthesis of dysprosium(iii) single-molecule magnet with lanthanide salt as catalyst","Dalton Transactions","2012","41","19","5816","","10.1039/c2dt30175j","","","0.71073","MoKα","","0.0277","0.0247","","","0.0594","0.0607","","","","","","1.023","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018976","9.15","0.004","11.993","0.002","12.181","0.002","117.27","0.002","98.188","0.003","99.407","0.003","1135.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 Eu2 N16 O20 -","- C32 H42 Eu2 N16 O20 -","- C32 H42 Eu2 N16 O20 -","1","0.5","","Liang, Li; Peng, Guo; Li, Guizhu; Lan, Yanhua; Powell, Annie K.; Deng, Hong","In situ hydrothermal synthesis of dysprosium(iii) single-molecule magnet with lanthanide salt as catalyst","Dalton Transactions","2012","41","19","5816","","10.1039/c2dt30175j","","","0.71073","MoKα","","0.0304","0.0281","","","0.0706","0.072","","","","","","1.025","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018977","9.128","0.003","11.9957","0.0015","12.2137","0.0015","117.201","0.001","98.16","0.002","99.347","0.002","1137.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N16 O20 Sm2 -","- C32 H42 N16 O20 Sm2 -","- C32 H42 N16 O20 Sm2 -","1","0.5","","Liang, Li; Peng, Guo; Li, Guizhu; Lan, Yanhua; Powell, Annie K.; Deng, Hong","In situ hydrothermal synthesis of dysprosium(iii) single-molecule magnet with lanthanide salt as catalyst","Dalton Transactions","2012","41","19","5816","","10.1039/c2dt30175j","","","0.71073","MoKα","","0.027","0.0251","","","0.0628","0.0643","","","","","","1.031","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018978","12.9109","0.0004","13.8561","0.0005","14.8184","0.0005","92.408","0.001","99.965","0.001","97.186","0.001","2584.93","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H112 Co5 Ge4 N20 O52 V16 -","- C30 H112 Co5 Ge4 N20 O52 V16 -","- C30 H112 Co5 Ge4 N20 O52 V16 -","1","0.5","","Gao, Yuanzhe; Xu, Yanqing; Huang, Kunlin; Han, Zhangang; Hu, Changwen","Two three-dimensional {V16Ge4}-based open frameworks stabilized by diverse types of CoII-amine bridges and magnetic properties","Dalton Transactions","2012","41","20","6122","","10.1039/c2dt30199g","","","0.71073","MoKα","","0.0845","0.0576","","","0.1607","0.1821","","","","","","1.035","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018979","30.5983","0.0018","30.5983","0.0018","35.422","0.003","90","","90","","90","","33164","4","296","2","296","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C36 H198 Co10 Ge8 N36 O119 V32 -","- C36 H198 Co10 Ge8 N36 O119 V32 -","- C288 H1584 Co80 Ge64 N288 O952 V256 -","8","0.5","","Gao, Yuanzhe; Xu, Yanqing; Huang, Kunlin; Han, Zhangang; Hu, Changwen","Two three-dimensional {V16Ge4}-based open frameworks stabilized by diverse types of CoII-amine bridges and magnetic properties","Dalton Transactions","2012","41","20","6122","","10.1039/c2dt30199g","","","0.71073","MoKα","","0.0768","0.06","","","0.1625","0.179","","","","","","1.057","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018980","13.894","0.003","14.973","0.003","15.988","0.003","90","","108.509","0.006","90","","3154","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H76 N4 O18 S6 Zn4 -","- C50 H76 N4 O18 S6 Zn4 -","- C100 H152 N8 O36 S12 Zn8 -","2","0.5","","Martínez Belmonte, Marta; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Isolation and characterization of unusual multinuclear Schiff base complexes: rearrangements reactions and octanuclear cluster formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5193","5200","10.1039/c2dt30201b","","","0.71073","MoKα","","0.0875","0.0543","","","0.1279","0.1491","","","","","","1.08","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018981","23.4959","0.0011","13.7262","0.001","31.5166","0.0017","90","","98.305","0.002","90","","10057.8","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C184 H199 N12 O60 Zn16 -","- C184 H199 N12 O60 Zn16 -","- C368 H398 N24 O120 Zn32 -","2","1","","Martínez Belmonte, Marta; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Isolation and characterization of unusual multinuclear Schiff base complexes: rearrangements reactions and octanuclear cluster formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5193","5200","10.1039/c2dt30201b","","","0.71073","MoKα","","0.0696","0.0561","","","0.137","0.1446","","","","","","1.033","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018982","14.1481","0.0005","14.798","0.0005","15.5249","0.0005","81.355","0.002","80.484","0.002","65.424","0.001","2903.15","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H128 N14 O14 Zn6 -","- C118 H128 N14 O14 Zn6 -","- C118 H128 N14 O14 Zn6 -","1","0.5","","Martínez Belmonte, Marta; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Isolation and characterization of unusual multinuclear Schiff base complexes: rearrangements reactions and octanuclear cluster formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5193","5200","10.1039/c2dt30201b","","","0.71073","MoKα","","0.0475","0.0368","","","0.1168","0.1317","","","","","","1.11","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018983","12.9382","0.0011","13.9784","0.0013","18.3443","0.0016","83.265","0.003","87.458","0.003","88.388","0.003","3290.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C149 H113 N17 O24 Zn10 -","- C149 H113 N17 O24 Zn10 -","- C149 H113 N17 O24 Zn10 -","1","0.5","","Martínez Belmonte, Marta; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Isolation and characterization of unusual multinuclear Schiff base complexes: rearrangements reactions and octanuclear cluster formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5193","5200","10.1039/c2dt30201b","","","0.71073","MoKα","","0.1009","0.0464","","","0.0916","0.1129","","","","","","1.001","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018984","17.7411","0.0012","18.4397","0.0013","24.5458","0.0016","88.7","0.002","75.454","0.002","62.681","0.002","6865.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61.7 H62 N4 O16.38 S1.02 Zn4 -","- C61.7 H62 N4 O16.375 S1.025 Zn4 -","- C246.8 H248 N16 O65.5 S4.1 Zn16 -","4","2","","Martínez Belmonte, Marta; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Isolation and characterization of unusual multinuclear Schiff base complexes: rearrangements reactions and octanuclear cluster formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5193","5200","10.1039/c2dt30201b","","","0.71073","MoKα","","0.119","0.0705","","","0.2035","0.243","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018985","17.222","0.001","10.477","0.0004","16.006","0.001","90","","103.11","0.003","90","","2812.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(pytren-2Q)]Â.2CLO4Â.H2O","","","- C23 H32 Cl2 Cu N6 O9 -","- C23 H32 Cl2 Cu N6 O9 -","- C92 H128 Cl8 Cu4 N24 O36 -","4","1","","Castillo, Carmen E.; Máñez, M Angeles; Basallote, Manuel G.; Clares, M. Paz; Blasco, Salvador; García-España, Enrique","Copper(ii) complexes of quinoline polyazamacrocyclic scorpiand-type ligands: X-ray, equilibrium and kinetic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5617","5624","10.1039/c2dt30223c","","","0.71073","MoKα","","0.1899","0.0722","","","0.1969","0.2687","","","","","","0.911","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018986","27.518","0.004","27.518","0.004","12.172","0.002","90","","90","","120","","7982","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H10 Cl Co2 N5 O5 -","- C12 H8 Cl Co2 N5 O5 -","- C216 H144 Cl18 Co36 N90 O90 -","18","1","","Yang, Qian; Zhao, Jiong-Peng; Song, Wei-Chao; Bu, Xian-He","Two azido-bridged cobalt(ii) coordination polymers with nicotinate co-ligand: synthesis, structures and magnetic properties","Dalton Transactions","2012","41","20","6272","","10.1039/c2dt30262d","","","0.71073","MoKα","","0.0945","0.0767","","","0.184","0.1929","","","","","","1.161","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018987","6.0825","0.0012","10.182","0.002","12.533","0.003","90","","90","","90","","776.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Co N4 O2 -","- C6 H4 Co N4 O2 -","- C24 H16 Co4 N16 O8 -","4","1","","Yang, Qian; Zhao, Jiong-Peng; Song, Wei-Chao; Bu, Xian-He","Two azido-bridged cobalt(ii) coordination polymers with nicotinate co-ligand: synthesis, structures and magnetic properties","Dalton Transactions","2012","41","20","6272","","10.1039/c2dt30262d","","","0.71073","MoKα","","0.03","0.0264","","","0.0513","0.0522","","","","","","1.134","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018988","24.811","0.002","21.753","0.002","22.39","0.002","90","","102.993","0.002","90","","11774.8","1.8","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C16 H82 Cu4 N16 Nb18 O76 Si -","- C16 H32 Cu4 N16 Nb18 O54 Si -","- C64 H128 Cu16 N64 Nb72 O216 Si4 -","4","0.5","","Huang, Peng; Qin, Chao; Wang, Xin-Long; Sun, Chun-Yi; Xing, Yan; Wang, Hai-Ning; Shao, Kui-Zhan; Su, Zhong-Min","A new organic‒inorganic hybrid based on the crescent-shaped polyoxoanion [H6SiNb18O54]8− and copper‒organic cations","Dalton Transactions","2012","41","20","6075","","10.1039/c2dt30265a","","","0.71073","MoKα","","0.0381","0.0294","","","0.066","0.0678","","","","","","1.064","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018989","11.0885","0.0005","22.1034","0.0008","8.6456","0.0004","90","","106.763","0.005","90","","2028.94","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Ag La N2 O9 S -","- C19 H12 Ag La N2 O9 S -","- C76 H48 Ag4 La4 N8 O36 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0394","0.0321","","","0.0702","0.0735","","","","","","1.016","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018990","9.46","0.0002","13.4951","0.0003","17.6816","0.0004","90","","101.106","0.002","90","","2215.02","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag N2 O10 Pr S -","- C19 H14 Ag N2 O10 Pr S -","- C76 H56 Ag4 N8 O40 Pr4 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0368","0.0269","","","0.0538","0.0636","","","","","","1.007","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018991","9.4364","0.0002","13.4891","0.0003","17.6583","0.0004","90","","101.116","0.002","90","","2205.53","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag N2 Nd O10 S -","- C19 H14 Ag N2 Nd O10 S -","- C76 H56 Ag4 N8 Nd4 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0321","0.0241","","","0.061","0.0787","","","","","","1.01","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018992","9.3956","0.0003","13.4839","0.0005","17.64","0.0007","90","","101.263","0.004","90","","2191.76","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag N2 O10 S Sm -","- C19 H14 Ag N2 O10 S Sm -","- C76 H56 Ag4 N8 O40 S4 Sm4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0429","0.0331","","","0.0859","0.092","","","","","","1.015","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018993","9.374","0.0002","13.4679","0.0004","17.6149","0.0004","90","","101.118","0.002","90","","2182.11","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Eu N2 O10 S -","- C19 H14 Ag Eu N2 O10 S -","- C76 H56 Ag4 Eu4 N8 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0356","0.0288","","","0.0644","0.0683","","","","","","1.001","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018994","9.353","0.0002","13.4571","0.0004","17.5792","0.0005","90","","101.094","0.002","90","","2171.25","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Gd N2 O10 S -","- C19 H14 Ag Gd N2 O10 S -","- C76 H56 Ag4 Gd4 N8 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0362","0.0287","","","0.0655","0.0695","","","","","","1.004","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018995","9.3141","0.0005","13.4877","0.0006","17.5664","0.0008","90","","101.341","0.005","90","","2163.7","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag N2 O10 S Tb -","- C19 H14 Ag N2 O10 S Tb -","- C76 H56 Ag4 N8 O40 S4 Tb4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0652","0.0509","","","0.1404","0.1589","","","","","","1.071","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018996","9.1649","0.0003","13.754","0.0005","17.6541","0.0005","90","","102.451","0.003","90","","2173.03","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Dy N2 O10 S -","- C19 H14 Ag Dy N2 O10 S -","- C76 H56 Ag4 Dy4 N8 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0374","0.0292","","","0.0793","0.084","","","","","","1.017","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018997","9.1495","0.0001","13.785","0.0003","17.6231","0.0003","90","","102.456","0.002","90","","2170.41","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Ho N2 O10 S -","- C19 H14 Ag Ho N2 O10 S -","- C76 H56 Ag4 Ho4 N8 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0356","0.0261","","","0.061","0.0811","","","","","","1.013","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018998","9.1218","0.0004","13.7662","0.0007","17.599","0.0007","90","","102.457","0.004","90","","2157.92","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Er N2 O10 S -","- C19 H14 Ag Er N2 O10 S -","- C76 H56 Ag4 Er4 N8 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0427","0.0314","","","0.0779","0.0845","","","","","","1.01","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018999","9.5893","0.0006","13.5647","0.0007","17.1549","0.0014","90","","101.129","0.005","90","","2189.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cu La N2 O10 S -","- C19 H14 Cu La N2 O10 S -","- C76 H56 Cu4 La4 N8 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0322","0.0307","","","0.0755","0.0769","","","","","","1.003","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7019000","9.536","0.0005","13.5065","0.0007","17.0794","0.0009","90","","101.418","0.005","90","","2156.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cu N2 O10 Pr S -","- C19 H14 Cu N2 O10 Pr S -","- C76 H56 Cu4 N8 O40 Pr4 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0323","0.0258","","","0.0634","0.067","","","","","","1.002","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019001","9.4978","0.0003","13.4972","0.0003","17.0539","0.0004","90","","101.239","0.002","90","","2144.28","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cu N2 Nd O10 S -","- C19 H14 Cu N2 Nd O10 S -","- C76 H56 Cu4 N8 Nd4 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0425","0.0328","","","0.0801","0.0969","","","","","","1.006","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019002","9.4578","0.0003","13.4794","0.0004","17.0208","0.0006","90","","101.346","0.003","90","","2127.5","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cu N2 O10 S Sm -","- C19 H14 Cu N2 O10 S Sm -","- C76 H56 Cu4 N8 O40 S4 Sm4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0335","0.0275","","","0.0628","0.0661","","","","","","1.006","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019003","9.4413","0.0002","13.4801","0.0003","17.0139","0.0004","90","","101.221","0.002","90","","2123.96","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cu Eu N2 O10 S -","- C19 H14 Cu Eu N2 O10 S -","- C76 H56 Cu4 Eu4 N8 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0445","0.0368","","","0.096","0.1111","","","","","","1.006","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019004","9.4107","0.0002","13.4745","0.0003","16.972","0.0004","90","","101.176","0.002","90","","2111.31","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cu Gd N2 O10 S -","- C19 H14 Cu Gd N2 O10 S -","- C76 H56 Cu4 Gd4 N8 O40 S4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0342","0.0264","","","0.0668","0.0839","","","","","","1.014","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019005","9.4025","0.0004","13.4705","0.0006","16.9675","0.0008","90","","101.231","0.004","90","","2107.89","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cu N2 O10 S Tb -","- C19 H14 Cu N2 O10 S Tb -","- C76 H56 Cu4 N8 O40 S4 Tb4 -","4","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties","Dalton Transactions","2012","41","20","6195","","10.1039/c2dt30268c","","","0.71073","MoKα","","0.0813","0.0482","","","0.1042","0.1435","","","","","","1.029","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019006","11.0066","0.0002","12.5966","0.0002","16.6026","0.0003","98.717","0.001","100.834","0.001","113.548","0.001","2005.84","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H63 Cu2 N11 O2 P4 -","- C93 H63 Cu2 N11 O2 P4 -","- C93 H63 Cu2 N11 O2 P4 -","1","0.5","","Less, Robert J.; Guan, Bihan; Muresan, Nicoleta M.; McPartlin, Mary; Reisner, Erwin; Wilson, Thomas C.; Wright, Dominic S.","Group 11 complexes containing the [C5(CN)5]− ligand; ‘coordination-analogues’ of molecular organometallic systems","Dalton Transactions","2012","41","19","5919","","10.1039/c2dt30274h","","","0.71073","MoKα","","0.0785","0.0482","","","0.1083","0.1203","","","","","","1.033","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019007","12.687","0.0001","25.7466","0.0002","16.6696","0.0002","90","","93.446","0.001","90","","5435.23","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H45 Ag N5 P3 -","- C64 H45 Ag N5 P3 -","- C256 H180 Ag4 N20 P12 -","4","1","","Less, Robert J.; Guan, Bihan; Muresan, Nicoleta M.; McPartlin, Mary; Reisner, Erwin; Wilson, Thomas C.; Wright, Dominic S.","Group 11 complexes containing the [C5(CN)5]− ligand; ‘coordination-analogues’ of molecular organometallic systems","Dalton Transactions","2012","41","19","5919","","10.1039/c2dt30274h","","","0.71073","MoKα","","0.0691","0.0399","","","0.083","0.0919","","","","","","1.038","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019008","10.9813","0.0001","12.725","0.0002","16.8652","0.0003","97.866","0.001","100.456","0.001","112.374","0.001","2087.41","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H61 Ag2 Cl3 N10 P4 -","- C93 H61 Ag2 Cl3 N10 P4 -","- C93 H61 Ag2 Cl3 N10 P4 -","1","0.5","","Less, Robert J.; Guan, Bihan; Muresan, Nicoleta M.; McPartlin, Mary; Reisner, Erwin; Wilson, Thomas C.; Wright, Dominic S.","Group 11 complexes containing the [C5(CN)5]− ligand; ‘coordination-analogues’ of molecular organometallic systems","Dalton Transactions","2012","41","19","5919","","10.1039/c2dt30274h","","","0.71073","MoKα","","0.0939","0.0541","","","0.1299","0.1469","","","","","","1.052","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019009","12.7176","0.0002","14.362","0.0002","15.2562","0.0002","114.112","0.001","101.556","0.001","106.364","0.001","2276.61","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C100.5 H78 Cu2 N10 P6 -","- C100.5 H78 Cu2 N10 P6 -","- C100.5 H78 Cu2 N10 P6 -","1","0.5","","Less, Robert J.; Guan, Bihan; Muresan, Nicoleta M.; McPartlin, Mary; Reisner, Erwin; Wilson, Thomas C.; Wright, Dominic S.","Group 11 complexes containing the [C5(CN)5]− ligand; ‘coordination-analogues’ of molecular organometallic systems","Dalton Transactions","2012","41","19","5919","","10.1039/c2dt30274h","","","0.71073","MoKα","","0.0734","0.0455","","","0.1353","0.1441","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019010","11.3138","0.0002","12.4831","0.0002","15.4936","0.0004","69.145","0.001","81.391","0.001","69.918","0.001","1919.56","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Au N5 P2 -","- C46 H30 Au N5 P2 -","- C92 H60 Au2 N10 P4 -","2","1","","Less, Robert J.; Guan, Bihan; Muresan, Nicoleta M.; McPartlin, Mary; Reisner, Erwin; Wilson, Thomas C.; Wright, Dominic S.","Group 11 complexes containing the [C5(CN)5]− ligand; ‘coordination-analogues’ of molecular organometallic systems","Dalton Transactions","2012","41","19","5919","","10.1039/c2dt30274h","","","0.71073","MoKα","","0.0774","0.0489","","","0.0905","0.1012","","","","","","1.026","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019011","14.6513","0.0005","14.6513","0.0005","19.1456","0.0015","90","","90","","90","","4109.8","0.4","296","2","296","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C26 H40 Cl Cu4 Mo12 N32 O40 P S8 -","- C26 H40 Cl Cu4 Mo12 N32 O40 P S8 -","- C52 H80 Cl2 Cu8 Mo24 N64 O80 P2 S16 -","2","0.25","","Gong, Jingjing; Zhang, Weisong; Liu, Yang; Zhang, Hengchao; Hu, Hailiang; Kang, Zhenhui","Keggin polyanion and copper cluster based coordination polymer towards model for complex nanosystem.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5468","5471","10.1039/c2dt30284e","","","0.71073","MoKα","","0.053","0.046","","","0.1185","0.1249","","","","","","1.038","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019012","20.3235","0.0014","20.3235","0.0014","39.008","0.006","90","","90","","90","","16112","3","296","2","296","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C26 H44 Cu4 Mo12 N32 O44 S8 Si -","- C26 H40 Cu4 Mo12 N32 O44 S8 Si -","- C208 H320 Cu32 Mo96 N256 O352 S64 Si8 -","8","0.5","","Gong, Jingjing; Zhang, Weisong; Liu, Yang; Zhang, Hengchao; Hu, Hailiang; Kang, Zhenhui","Keggin polyanion and copper cluster based coordination polymer towards model for complex nanosystem.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5468","5471","10.1039/c2dt30284e","","","0.71073","MoKα","","0.1","0.099","","","0.2157","0.2164","","","","","","1.155","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019013","22.426","0.007","9.336","0.002","16.544","0.005","90","","115.108","0.007","90","","3136.5","1.5","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H51 Au N2 O -","- C32 H39 Au N2 O -","- C128 H156 Au4 N8 O4 -","4","0.5","","Gómez-Suárez, Adrián; Ramón, Rubén S; Slawin, Alexandra M. Z.; Nolan, Steven P.","Synthetic routes to [Au(NHC)(OH)] (NHC = N-heterocyclic carbene) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5461","5463","10.1039/c2dt30294b","","","0.71073","MoKα","","0.0402","0.0384","","","0.1004","0.1057","","","","","","1.087","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019014","10.522","0.006","16.807","0.006","18.706","0.008","65.07","0.03","74.95","0.03","77.85","0.04","2878","2","50","2","50","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H14 F30 N6 -","- C66 H14 F30 N6 -","- C132 H28 F60 N12 -","2","1","","Gokulnath, Sabapathi; Toganoh, Motoki; Yamaguchi, Keisuke; Mori, Shigeki; Uno, Hidemitsu; Furuta, Hiroyuki","Confusion of Möbius aromaticity: disruption of annulenic pathway in singly N-confused [28]hexaphyrin and its mono-Pd(ii) complex","Dalton Transactions","2012","41","20","6283","","10.1039/c2dt30306j","","","0.7107","MoKΨa","","0.1145","0.084","","","0.2075","0.2308","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019015","13.344","0.0004","23.6138","0.0007","19.8359","0.0006","90","","97.955","0.002","90","","6190.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H16 F30 N6 -","- C66 H16 F30 N6 -","- C264 H64 F120 N24 -","4","1","","Gokulnath, Sabapathi; Toganoh, Motoki; Yamaguchi, Keisuke; Mori, Shigeki; Uno, Hidemitsu; Furuta, Hiroyuki","Confusion of Möbius aromaticity: disruption of annulenic pathway in singly N-confused [28]hexaphyrin and its mono-Pd(ii) complex","Dalton Transactions","2012","41","20","6283","","10.1039/c2dt30306j","","","1.54187","CuKΨa","","0.108","0.0854","","","0.2455","0.2735","","","","","","1.084","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019016","7.6108","0.0002","17.3675","0.0008","24.9638","0.0011","101.727","0.003","90.851","0.002","93.498","0.002","3223.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H30 F30 N6 Pd -","- C73 H30 F30 N6 Pd -","- C146 H60 F60 N12 Pd2 -","2","1","","Gokulnath, Sabapathi; Toganoh, Motoki; Yamaguchi, Keisuke; Mori, Shigeki; Uno, Hidemitsu; Furuta, Hiroyuki","Confusion of Möbius aromaticity: disruption of annulenic pathway in singly N-confused [28]hexaphyrin and its mono-Pd(ii) complex","Dalton Transactions","2012","41","20","6283","","10.1039/c2dt30306j","","","0.7107","MoKΨa","","0.0755","0.063","","","0.1509","0.1676","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019017","13.984","0.003","34.339","0.007","10.048","0.002","90","","90","","90","","4825","1.7","153","2","153","2","","","","","","","","8","P n a 21","P 2c -2n","33","Tetrakis(4-(trimethylammonio)benzenethiolate)-cadmium(ii) dihexafluorophosphate hydrate","Tetrakis(4-(trimethylammonio)benzenethiolate)-cadmium(II) dihexafluorophosphate hydrate","","- C36 H54 Cd F12 N4 O P2 S4 -","- C36 H54 Cd F12 N4 O P2 S4 -","- C144 H216 Cd4 F48 N16 O4 P8 S16 -","4","1","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.062","0.0573","","","0.1278","0.1304","","","","","","1.112","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019018","19.7099","0.0011","21.1388","0.0014","21.3929","0.0019","104.421","0.003","116.145","0.003","92.6","0.002","7624.8","1","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C93 H145 F48 N11 O5 P8 S10 Zn4 -","- C93 H145 F48 N11 O5 P8 S10 Zn4 -","- C186 H290 F96 N22 O10 P16 S20 Zn8 -","2","1","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.0907","0.056","","","0.1465","0.1634","","","","","","1.073","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019019","19.6626","0.0019","21.1266","0.0012","21.6391","0.0013","105.636","0.003","92.555","0.003","114.528","0.002","7748.5","1","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C93 H147 Cd4 F48 N11 O6 P8 S10 -","- C93 H147 Cd4 F48 N11 O6 P8 S10 -","- C186 H294 Cd8 F96 N22 O12 P16 S20 -","2","1","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.0608","0.0455","","","0.1039","0.1077","","","","","","1.095","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019020","13.866","0.003","35.254","0.003","10.231","0.002","90","","90","","90","","5001.2","1.5","193","2","193","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C36 H54 F12 N4 O P2 S4 Zn -","- C36 H54 F12 N4 O P2 S4 Zn -","- C144 H216 F48 N16 O4 P8 S16 Zn4 -","4","1","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.0589","0.0489","","","0.1086","0.1112","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7019021","9.796","0.002","19.459","0.004","28.684","0.006","90","","95.96","0.03","90","","5438","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H66 F12 Hg N6 O2 P2 S4 -","- C42 H66 F12 Hg N6 O2 P2 S4 -","- C168 H264 F48 Hg4 N24 O8 P8 S16 -","4","1","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.0381","0.0333","","","0.0686","0.0706","","","","","","1.113","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019022","38.959","0.008","9.5325","0.0019","28.966","0.006","90","","131.23","0.03","90","","8090","5","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 F24 N8 O4 P4 S6 Zn2 -","- C60 H96 F24 N8 O4 P4 S6 Zn2 -","- C240 H384 F96 N32 O16 P16 S24 Zn8 -","4","0.5","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.1122","0.082","","","0.171","0.1866","","","","","","1.15","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019023","7.3927","0.0001","30.565","0.006","17.713","0.004","90","","94.84","0.03","90","","3988.1","1.2","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Cd F12 N4 O P2 S3 -","- C30 H46 Cd F12 N4 O P2 S3 -","- C120 H184 Cd4 F48 N16 O4 P8 S12 -","4","1","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.1595","0.0949","","","0.1902","0.2329","","","","","","1.005","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019024","39.285","0.008","9.6841","0.0019","29.024","0.006","90","","130.91","0.03","90","","8345","5","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 F24 Hg2 N8 O4 P4 S6 -","- C60 H96 F24 Hg2 N8 O4 P4 S6 -","- C240 H384 F96 Hg8 N32 O16 P16 S24 -","4","0.5","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.083","0.0727","","","0.162","0.1676","","","","","","1.173","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019025","5.5776","0.0003","7.5976","0.0004","22.5774","0.0013","90","","92.097","0.005","90","","956.11","0.09","173","2","173","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C23 H19 N3 S2 -","- C23 H19 N3 S2 -","- C46 H38 N6 S4 -","2","0.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","0.71073","MoKα","","0.068","0.0389","","","0.0761","0.0816","","","","","","0.898","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019026","10.16474","0.00007","16.10208","0.00009","16.90466","0.0001","90","","90","","90","","2766.84","0.03","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl5 Cr N3 S2 -","- C20 H29 Cl5 Cr N3 S2 -","- C80 H116 Cl20 Cr4 N12 S8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","1.54184","CuKα","","0.0375","0.028","","","0.0577","0.0603","","","","","","0.933","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019027","13.3454","0.0002","13.3454","0.0002","26.6492","0.0005","90","","90","","90","","4746.21","0.13","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C48 H41 Cl4 Fe2 N7 S4 -","- C48 H41 Cl4 Fe2 N7 S4 -","- C192 H164 Cl16 Fe8 N28 S16 -","4","0.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","0.71073","MoKα","","0.081","0.046","","","0.0791","0.0874","","","","","","0.983","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019028","15.529","0.0002","27.9269","0.0004","17.3305","0.0002","90","","90","","90","","7515.84","0.17","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C20.33 H29.67 Br2 Fe N3 O0.33 S2 -","- C20.3333 H29.6667 Br2 Fe N3 O0.333333 S2 -","- C244 H356 Br24 Fe12 N36 O4 S24 -","12","1.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","0.71073","MoKα","","0.0608","0.0293","","","0.0529","0.0722","","","","","","1.139","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019029","12.66754","0.00008","15.12678","0.00008","16.74135","0.0001","90","","109.61","0.0007","90","","3021.89","0.03","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cl2 Fe N3 S2 -","- C35 H27 Cl2 Fe N3 S2 -","- C140 H108 Cl8 Fe4 N12 S8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","1.54184","CuKα","","0.0371","0.0257","","","0.0608","0.0643","","","","","","0.946","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019030","12.1202","0.00013","32.9663","0.0004","9.29999","0.0001","90","","90","","90","","3715.89","0.07","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C19.67 H28.33 Cl3.33 Co N3 S2 -","- C19.6667 H28.3333 Cl3.33333 Co N3 S2 -","- C118 H170 Cl20 Co6 N18 S12 -","6","1.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","1.54184","CuKα","","0.0342","0.0312","","","0.0811","0.0836","","","","","","1.032","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019031","12.2966","0.00006","32.40514","0.00016","8.69965","0.00005","90","","90","","90","","3466.58","0.03","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17.67 H24.33 Cl3.33 Co N3 S2 -","- C17.6667 H24.3333 Cl3.33333 Co N3 S2 -","- C106 H146 Cl20 Co6 N18 S12 -","6","1.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","1.54184","CuKα","","0.0235","0.0216","","","0.0545","0.0557","","","","","","1.076","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019032","15.10734","0.00017","10.7159","0.00011","15.64386","0.00017","90","","109.731","0.0012","90","","2383.88","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cl2 Co N3 S2 -","- C25 H19 Cl2 Co N3 S2 -","- C100 H76 Cl8 Co4 N12 S8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","1.54184","CuKα","","0.0334","0.0253","","","0.0603","0.0615","","","","","","0.944","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019033","7.66033","0.00007","12.99066","0.00011","24.7438","0.0002","90","","90","","90","","2462.32","0.04","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br Cl2 N2 Ni S2 -","- C25 H21 Br Cl2 N2 Ni S2 -","- C100 H84 Br4 Cl8 N8 Ni4 S8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","0.71073","MoKα","","0.0408","0.031","","","0.0729","0.0797","","","","","","1.052","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019034","16.89","0.004","20.759","0.004","12.145","0.003","90","","117.872","0.002","90","","3764.3","1.5","103","","103","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C51 H29 Cl3 F24 N4 O16 Ru4 -","- C51 H24 Cl3 F24 N4 O16 Ru4 -","- C102 H48 Cl6 F48 N8 O32 Ru8 -","2","0.25","","Nakabayashi, Keita; Nishio, Masaki; Kubo, Keiko; Kosaka, Wataru; Miyasaka, Hitoshi","An ionicity diagram for the family of [{Ru2(CF3CO2)4}2(TCNQRx)] (TCNQRx = R-substituted 7,7,8,8-tetracyano-p-quinodimethane)","Dalton Transactions","2012","41","20","6072","","10.1039/c2dt30365e","","","0.71075","MoKα","","","0.0458","","","","0.1279","","","","","","1.092","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019035","20.319","0.017","20.19","0.017","8.459","0.007","90","","99.122","0.011","90","","3426","5","93","","93","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C37 H15 Cl F24 N4 O18 Ru4 -","- C37 H4 Cl F24 N4 O18 Ru4 -","- C74 H8 Cl2 F48 N8 O36 Ru8 -","2","0.25","","Nakabayashi, Keita; Nishio, Masaki; Kubo, Keiko; Kosaka, Wataru; Miyasaka, Hitoshi","An ionicity diagram for the family of [{Ru2(CF3CO2)4}2(TCNQRx)] (TCNQRx = R-substituted 7,7,8,8-tetracyano-p-quinodimethane)","Dalton Transactions","2012","41","20","6072","","10.1039/c2dt30365e","","","0.71075","MoKα","","","0.0707","","","","0.2209","","","","","","1.104","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019036","8.459","0.005","20.195","0.01","19.371","0.011","90","","99.512","0.011","90","","3264","3","97","","97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H18 F24 N4 O16 Rh4 -","- C38 H16 F24 N4 O16 Rh4 -","- C76 H32 F48 N8 O32 Rh8 -","2","0.5","","Nakabayashi, Keita; Nishio, Masaki; Kubo, Keiko; Kosaka, Wataru; Miyasaka, Hitoshi","An ionicity diagram for the family of [{Ru2(CF3CO2)4}2(TCNQRx)] (TCNQRx = R-substituted 7,7,8,8-tetracyano-p-quinodimethane)","Dalton Transactions","2012","41","20","6072","","10.1039/c2dt30365e","","","0.71075","MoKα","","","0.1135","","","","0.3333","","","","","","1.206","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019037","20.005","0.005","20.07","0.005","8.358","0.0019","90","","99.956","0.004","90","","3305.2","1.4","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H18 F24 N4 O18 Rh4 -","- C38 H10 F24 N4 O18 Rh4 -","- C76 H20 F48 N8 O36 Rh8 -","2","0.25","","Nakabayashi, Keita; Nishio, Masaki; Kubo, Keiko; Kosaka, Wataru; Miyasaka, Hitoshi","An ionicity diagram for the family of [{Ru2(CF3CO2)4}2(TCNQRx)] (TCNQRx = R-substituted 7,7,8,8-tetracyano-p-quinodimethane)","Dalton Transactions","2012","41","20","6072","","10.1039/c2dt30365e","","","0.71075","MoKα","","","0.0592","","","","0.1826","","","","","","1.117","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019038","26.2256","0.0008","4.5849","0.0001","15.5411","0.0006","90","","119.667","0.003","90","","1623.74","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N6 O4 Pb -","- C16 H12 N6 O4 Pb -","- C64 H48 N24 O16 Pb4 -","4","0.5","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","New monoacylhydrazidate-coordinated Mn2+ and Pb2+ compounds","Dalton Transactions","2012","41","20","6137","","10.1039/c2dt30389b","","","0.71073","MoKα","","0.0249","0.0238","","","0.0662","0.0676","","","","","","1.181","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019039","8.4062","0.0003","12.9612","0.0004","19.0223","0.0008","73.354","0.002","79.689","0.002","74.223","0.002","1899.38","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N12 O9 Pb2 -","- C36 H32 N12 O9 Pb2 -","- C72 H64 N24 O18 Pb4 -","2","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","New monoacylhydrazidate-coordinated Mn2+ and Pb2+ compounds","Dalton Transactions","2012","41","20","6137","","10.1039/c2dt30389b","","","0.71073","MoKα","","0.0619","0.038","","","0.0778","0.0847","","","","","","1.013","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019040","4","0.0003","31.157","0.003","12.9587","0.0012","90","","94.977","0.005","90","","1608.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12.5 N6 O4.25 Pb -","- C16 H12 N6 O4.25 Pb -","- C64 H48 N24 O17 Pb4 -","4","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","New monoacylhydrazidate-coordinated Mn2+ and Pb2+ compounds","Dalton Transactions","2012","41","20","6137","","10.1039/c2dt30389b","","","0.71073","MoKα","","0.1618","0.0638","","","0.1401","0.1814","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019041","8.2238","0.0006","8.2372","0.0005","12.6991","0.0009","87.435","0.004","87.068","0.004","75.442","0.004","831.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Mn N6 O5 -","- C16 H12 Mn N6 O5 -","- C32 H24 Mn2 N12 O10 -","2","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","New monoacylhydrazidate-coordinated Mn2+ and Pb2+ compounds","Dalton Transactions","2012","41","20","6137","","10.1039/c2dt30389b","","","0.71073","MoKα","","0.0863","0.0529","","","0.1466","0.164","","","","","","1.006","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019042","17.02","0.002","13.6459","0.001","17.195","0.002","90","","115.155","0.01","90","","3614.8","0.7","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 F3 N4 O3 S Ti3 -","- C32 H51 F3 N4 O3 S Ti3 -","- C128 H204 F12 N16 O12 S4 Ti12 -","4","1","","Caballo, Jorge; González-Moreiras, Mariano; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Electrophilic attack on trinuclear titanium imido-nitrido systems","Dalton Transactions","2012","41","20","6069","","10.1039/c2dt30486d","","x-ray","0.71073","MoKα","","0.1142","0.0605","","","0.1547","0.181","","","","","","1.062","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019043","16.296","0.001","19.247","0.003","11.924","0.001","90","","97.98","0.01","90","","3703.7","0.7","200","2","200","2","","","","","","","synthesis as described","8","C 1 2/m 1","-C 2y","12","","","","- C64 H100 F6 Li2 N8 O6 S2 Ti6 -","- C64 H100 F6 Li2 N8 O6 S2 Ti6 -","- C128 H200 F12 Li4 N16 O12 S4 Ti12 -","2","0.25","","Caballo, Jorge; González-Moreiras, Mariano; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Electrophilic attack on trinuclear titanium imido-nitrido systems","Dalton Transactions","2012","41","20","6069","","10.1039/c2dt30486d","","x-ray","0.71073","MoKα","","0.0787","0.0523","","","0.1407","0.1568","","","","","","1.06","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019044","11.6995","0.0006","13.0619","0.0007","13.1928","0.0007","115.965","0.005","113.289","0.005","94.036","0.004","1590.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H46 N6 Pd -","- C35 H46 N6 Pd -","- C70 H92 N12 Pd2 -","2","1","","Hart, John S.; Nichol, Gary S.; Love, Jason B.","Directed secondary interactions in transition metal complexes of tripodal pyrrole imine and amide ligands","Dalton Transactions","2012","41","19","5785","","10.1039/c2dt30539a","","","0.71073","MoKα","","0.0444","0.0324","","","0.0615","0.0659","","","","","","1.025","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019045","17.13","0.002","11.069","0.0014","20.818","0.003","90","","108.888","0.014","90","","3734.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl4 N6 Pd -","- C36 H48 Cl4 N6 Pd -","- C144 H192 Cl16 N24 Pd4 -","4","1","","Hart, John S.; Nichol, Gary S.; Love, Jason B.","Directed secondary interactions in transition metal complexes of tripodal pyrrole imine and amide ligands","Dalton Transactions","2012","41","19","5785","","10.1039/c2dt30539a","","","0.71073","MoKα","","0.0653","0.0423","","","0.0816","0.091","","","","","","1.038","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019046","16.9395","0.0003","16.191","0.0003","26.7675","0.0005","90","","90","","90","","7341.5","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C75.2 H105.8 Cl2 Cu2 N12.6 O -","- C75.2 H105.8 Cl2 Cu2 N12.6 O -","- C300.8 H423.2 Cl8 Cu8 N50.4 O4 -","4","1","","Hart, John S.; Nichol, Gary S.; Love, Jason B.","Directed secondary interactions in transition metal complexes of tripodal pyrrole imine and amide ligands","Dalton Transactions","2012","41","19","5785","","10.1039/c2dt30539a","","","1.5418","CuKα","","0.0483","0.046","","","0.125","0.1268","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019047","11.704","0.01","35.3","0.03","9.483","0.012","90","","112.407","0.012","90","","3622","6","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 N9 O5 Ti -","- C32 H45 N9 O5 Ti -","- C128 H180 N36 O20 Ti4 -","4","1","","Hart, John S.; Nichol, Gary S.; Love, Jason B.","Directed secondary interactions in transition metal complexes of tripodal pyrrole imine and amide ligands","Dalton Transactions","2012","41","19","5785","","10.1039/c2dt30539a","","","0.71075","MoKα","","0.1287","0.0871","","","0.185","0.2089","","","","","","1.115","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019048","20.799","0.004","20.799","0.004","47.18","0.005","90","","90","","120","","17676","5","113","2","113","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C94.4 H58.4 Cl31.2 Cu6 I6 N24 -","- C84 H48 Cu6 I6 N24 -","- C504 H288 Cu36 I36 N144 -","6","0.333333","","Zhao, Qiang; Liu, Xiu-Ming; Song, Wei-Chao; Bu, Xian-He","Valence-induced assembly of Cu(I)-Cu(II) ions into different discrete coordination architectures by a disk-shaped polypyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6683","6688","10.1039/c2dt00002d","","","0.71073","MoKα","","0.0696","0.0637","","","0.1525","0.1561","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019049","25.626","0.007","25.626","0.007","85.61","0.03","90","","90","","120","","48687","3","113","2","113","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C266.5 H195 Cl29 Cu12 N96 O84 -","- C252 H144 Cu12 N96 O72 -","- C1512 H864 Cu72 N576 O432 -","6","0.166667","","Zhao, Qiang; Liu, Xiu-Ming; Song, Wei-Chao; Bu, Xian-He","Valence-induced assembly of Cu(I)-Cu(II) ions into different discrete coordination architectures by a disk-shaped polypyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6683","6688","10.1039/c2dt00002d","","","0.71073","MoKα","","0.086","0.0784","","","0.1696","0.1737","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019050","15.066","0.003","7","0.0014","15.541","0.003","90","","107.45","0.03","90","","1563.6","0.6","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N6 -","- C20 H12 N6 -","- C80 H48 N24 -","4","1","","Elmes, Robert B. P.; Kitchen, Jonathan A.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Pushing the limit: synthesis, photophysical and DNA binding studies of a NIR-emitting Ru(ii)-polypyridyl probe with 'light switch' behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6607","6610","10.1039/c2dt00020b","","","0.71073","MoKα","","0.1609","0.1357","","","0.3368","0.3628","","","","","","1.246","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019051","15.2447","0.0012","7.7411","0.0007","45.632","0.004","90","","91.899","0.006","90","","5382.1","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H18 Fe O2 Si -","- C20 H18 Fe O2 Si -","- C240 H216 Fe12 O24 Si12 -","12","3","","Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","The inverse sandwich complex [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] - unpredictable redox reactions of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu(2)BH(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6671","6676","10.1039/c2dt00031h","","","0.71073","MoKα","","0.2237","0.1613","","","0.3508","0.3785","","","","","","1.064","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019052","11.426","0.0013","9.8741","0.0008","21.0967","0.0016","90","","90","","90","","2380.2","0.4","173","2","173","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C21 H32 Fe0.5 K O7 -","- C21 H32 Fe0.5 K O7 -","- C84 H128 Fe2 K4 O28 -","4","1","","Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","The inverse sandwich complex [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] - unpredictable redox reactions of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu(2)BH(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6671","6676","10.1039/c2dt00031h","","","0.71073","MoKα","","0.0547","0.0499","","","0.1317","0.1352","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019053","14.908","0.0005","10.4189","0.0004","14.3622","0.0006","90","","90","","90","","2230.81","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H29 Fe K O8 -","- C19 H29 Fe K O8 -","- C76 H116 Fe4 K4 O32 -","4","1","","Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","The inverse sandwich complex [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] - unpredictable redox reactions of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu(2)BH(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6671","6676","10.1039/c2dt00031h","","","0.71073","MoKα","","0.0311","0.0267","","","0.0554","0.0565","","","","","","0.972","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019054","9.2405","0.0009","6.9153","0.0007","22.244","0.002","90","","99.331","0.002","90","","1402.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cl4 I N2 O -","- C10 H9 Cl4 I N2 O -","- C40 H36 Cl16 I4 N8 O4 -","4","1","","Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J.","Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6500","6506","10.1039/c2dt00055e","","","0.71073","MoKα","","0.0276","0.0257","","","0.063","0.0639","","","","","","1.087","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019055","4.979","0.005","12.523","0.013","13.184","0.013","84.139","0.016","87.926","0.016","83.41","0.016","812.1","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Cl4 N2 -","- C18 H10 Cl4 N2 -","- C36 H20 Cl8 N4 -","2","1","","Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J.","Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6500","6506","10.1039/c2dt00055e","","","0.71073","MoKα","","0.083","0.0596","","","0.1484","0.1622","","","","","","0.937","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019056","24.5","0.003","12.9443","0.0012","14.1288","0.0013","90","","117.003","0.002","90","","3992.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl4 I N2 -","- C19 H13 Cl4 I N2 -","- C152 H104 Cl32 I8 N16 -","8","1","","Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J.","Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6500","6506","10.1039/c2dt00055e","","","0.71073","MoKα","","0.0404","0.033","","","0.0798","0.085","","","","","","1.048","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019057","7.4984","0.0019","15.06","0.004","16.612","0.004","108.611","0.004","94.721","0.004","90.265","0.004","1770.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H2 Cl4 N2 -","- C7 H2 Cl4 N2 -","- C56 H16 Cl32 N16 -","8","4","","Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J.","Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6500","6506","10.1039/c2dt00055e","","","0.71073","MoKα","","0.0449","0.0377","","","0.1055","0.1227","","","","","","1.084","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019058","8.404","0.002","5.591","0.0016","15.25","0.005","90","","101.844","0.004","90","","701.3","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H9 Ag Cl4 N2 O2 -","- C11 H9 Ag Cl4 N2 O2 -","- C22 H18 Ag2 Cl8 N4 O4 -","2","1","","Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J.","Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6500","6506","10.1039/c2dt00055e","","","0.71073","MoKα","","0.0415","0.0367","","","0.0809","0.0833","","","","","","0.999","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019059","8.616","0.003","13.028","0.005","17.176","0.006","90","","92.684","0.005","90","","1925.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Ag Cl6 N2 O3 -","- C13 H13 Ag Cl6 N2 O3 -","- C52 H52 Ag4 Cl24 N8 O12 -","4","1","","Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J.","Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6500","6506","10.1039/c2dt00055e","","","0.71073","MoKα","","0.0655","0.0528","","","0.1296","0.1389","","","","","","1.015","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019060","10.148","0.0004","11.5407","0.0004","12.1076","0.0005","106.806","0.001","105.315","0.001","111.769","0.001","1145.37","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Ag Cl4 N2 O3 -","- C22 H19 Ag Cl4 N2 O3 -","- C44 H38 Ag2 Cl8 N4 O6 -","2","1","","Wright, Brian D.; Shah, Parth N.; McDonald, Lucas J.; Shaeffer, Michael L.; Wagers, Patrick O.; Panzner, Matthew J.; Smolen, Justin; Tagaev, Jasur; Tessier, Claire A.; Cannon, Carolyn L.; Youngs, Wiley J.","Synthesis, characterization, and antimicrobial activity of silver carbene complexes derived from 4,5,6,7-tetrachlorobenzimidazole against antibiotic resistant bacteria.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6500","6506","10.1039/c2dt00055e","","","1.54178","CuKα","","0.0243","0.0239","","","0.0662","0.0667","","","","","","1.323","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019061","9.5847","0.0019","11.024","0.002","10.765","0.002","90","","105.97","0.03","90","","1093.5","0.4","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H33 Cl Fe N3 O6 -","- C17 H33 Cl Fe N3 O6 -","- C34 H66 Cl2 Fe2 N6 O12 -","2","1","","Cappillino, Patrick J.; Miecznikowski, John R.; Tyler, Laurie A.; Tarves, Paul C.; McNally, Joshua S.; Lo, Wayne; Kasibhatla, Bala Sundari T.; Krzyaniak, Matthew D.; McCracken, John; Wang, Feng; Armstrong, William H.; Caradonna, John P.","Studies of iron(II) and iron(III) complexes with fac-N2O, cis-N2O2 and N2O3 donor ligands: models for the 2-His 1-carboxylate motif of non-heme iron monooxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5662","5677","10.1039/c2dt11096b","","","0.71073","MoKα","","0.0457","0.0362","","","0.0693","0.0727","","","","","","0.996","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019062","19.726","0.003","11.2284","0.0017","14.423","0.002","90","","102.109","0.002","90","","3123.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Fe3 N4 O19 -","- C20 H36 Fe3 N4 O19 -","- C80 H144 Fe12 N16 O76 -","4","0.5","","Cappillino, Patrick J.; Miecznikowski, John R.; Tyler, Laurie A.; Tarves, Paul C.; McNally, Joshua S.; Lo, Wayne; Kasibhatla, Bala Sundari T.; Krzyaniak, Matthew D.; McCracken, John; Wang, Feng; Armstrong, William H.; Caradonna, John P.","Studies of iron(II) and iron(III) complexes with fac-N2O, cis-N2O2 and N2O3 donor ligands: models for the 2-His 1-carboxylate motif of non-heme iron monooxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5662","5677","10.1039/c2dt11096b","","","0.71073","MoKα","","0.0698","0.059","","","0.1632","0.171","","","","","","1.057","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019063","8.0936","0.0006","10.2705","0.0008","25.975","0.002","90","","94.228","0.002","90","","2153.3","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(NMe4)(FeCl23N2O2)","","","- C16 H34 Cl2 Fe N3 O4 -","- C16 H34 Cl2 Fe N3 O4 -","- C64 H136 Cl8 Fe4 N12 O16 -","4","1","","Cappillino, Patrick J.; Miecznikowski, John R.; Tyler, Laurie A.; Tarves, Paul C.; McNally, Joshua S.; Lo, Wayne; Kasibhatla, Bala Sundari T.; Krzyaniak, Matthew D.; McCracken, John; Wang, Feng; Armstrong, William H.; Caradonna, John P.","Studies of iron(II) and iron(III) complexes with fac-N2O, cis-N2O2 and N2O3 donor ligands: models for the 2-His 1-carboxylate motif of non-heme iron monooxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5662","5677","10.1039/c2dt11096b","","","0.71073","MoKα","","0.0516","0.0369","","","0.1018","0.1154","","","","","","0.819","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019064","12.882","0.0005","12.882","0.0005","13.7401","0.0007","90","","90","","90","","2280.11","0.17","193","2","193","","","","","","","","","5","P -4 21 c","P -4 2n","114","'(m2-Oxo)-bis(N,N'-dimethylethylenediamine-diacetato- N,N',O,O')-diiron(iii)","'(m2-Oxo)-bis(N,N'-dimethylethylenediamine-diacetato-N,N',O,O')-diiron(iii)","","- C34 H64 Fe4 N8 O20 -","- C34 H36 Fe4 N8 O22 -","- C68 H72 Fe8 N16 O44 -","2","0.25","","Cappillino, Patrick J.; Miecznikowski, John R.; Tyler, Laurie A.; Tarves, Paul C.; McNally, Joshua S.; Lo, Wayne; Kasibhatla, Bala Sundari T.; Krzyaniak, Matthew D.; McCracken, John; Wang, Feng; Armstrong, William H.; Caradonna, John P.","Studies of iron(II) and iron(III) complexes with fac-N2O, cis-N2O2 and N2O3 donor ligands: models for the 2-His 1-carboxylate motif of non-heme iron monooxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5662","5677","10.1039/c2dt11096b","","","0.71073","MoKα","","0.0363","0.0356","","","0.1333","0.1349","","","","","","1.314","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7019065","15.6852","0.0015","10.9015","0.0011","15.471","0.0014","90","","104.284","0.002","90","","2563.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PSH)(FeCl3N2O1)","","","- C21 H34 Cl3 Fe N4 O2 -","- C21 H34 Cl3 Fe N4 O2.2 -","- C84 H136 Cl12 Fe4 N16 O8.8 -","4","1","","Cappillino, Patrick J.; Miecznikowski, John R.; Tyler, Laurie A.; Tarves, Paul C.; McNally, Joshua S.; Lo, Wayne; Kasibhatla, Bala Sundari T.; Krzyaniak, Matthew D.; McCracken, John; Wang, Feng; Armstrong, William H.; Caradonna, John P.","Studies of iron(II) and iron(III) complexes with fac-N2O, cis-N2O2 and N2O3 donor ligands: models for the 2-His 1-carboxylate motif of non-heme iron monooxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5662","5677","10.1039/c2dt11096b","","","0.71073","MoKα","","0.1224","0.1019","","","0.2512","0.2692","","","","","","1.069","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019066","14.144","0.003","16.386","0.0017","19.049","0.002","90","","90","","90","","4414.9","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cl2 O4 Ti -","- C24 H18 Cl2 O4 Ti -","- C192 H144 Cl16 O32 Ti8 -","8","1","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.77488","Synchrotron","","0.0345","0.0328","","","0.0837","0.0849","","","","","","1.04","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019067","9.713","0.005","12.471","0.005","18.199","0.006","90","","95.988","0.015","90","","2192.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl3 O4 Ti -","- C20 H25 Cl3 O4 Ti -","- C80 H100 Cl12 O16 Ti4 -","4","1","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.7","Synchrotron","","0.1102","0.086","","","0.2353","0.2552","","","","","","1.039","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019068","11.685","0.0012","11.965","0.0019","12.175","0.001","83.761","0.004","77.674","0.011","61.545","0.016","1462","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 Cl4 F4 O4 Ti2 -","- C27 H19 Cl4 F4 O4 Ti2 -","- C54 H38 Cl8 F8 O8 Ti4 -","2","1","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.710894","Synchrotron","","0.0638","0.0585","","","0.1445","0.1486","","","","","","1.044","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019069","10.603","0.002","31.616","0.002","15.197","0.0013","90","","95.004","0.011","90","","5075","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cl2 O2 Ti -","- C24 H34 Cl2 O2 Ti -","- C192 H272 Cl16 O16 Ti8 -","8","2","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.775","Synchrotron","","0.0469","0.044","","","0.1183","0.1205","","","","","","1.065","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019070","13.628","0.0007","13.154","0.0008","13.825","0.003","90","","90","","90","","2478.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 O3 Ti -","- C7 H15 Cl3 O3 Ti -","- C56 H120 Cl24 O24 Ti8 -","8","1","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.77488","Synchrotron","","0.0275","0.0265","","","0.0671","0.0677","","","","","","1.063","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019071","25.2188","0.0013","25.219","0.002","9.39","0.0017","90","","90","","90","","5972","1.2","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C12 H17 Cl3 O Ti -","- C12.006 H17.006 Cl3 O Ti -","- C192.096 H272.096 Cl48 O16 Ti16 -","16","1","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.77506","Synchrotron","","0.0346","0.0344","","","0.0857","0.0859","","","","","","1.075","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019072","16.4175","0.0016","10.2011","0.001","12.6323","0.0012","90","","108.828","0.004","90","","2002.4","0.3","103","0.1","103","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl Fe N3 -","- C23 H24 Cl Fe N3 -","- C92 H96 Cl4 Fe4 N12 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; de Kock, Carmen; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","1,2-Disubstituted ferrocenyl carbohydrate chloroquine conjugates as potential antimalarial agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6431","6442","10.1039/c2dt12050j","","","0.71073","MoKα","","0.0551","0.0389","","","0.0803","0.0893","","","","","","1.137","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019073","13.1852","0.0005","18.4105","0.0007","22.4888","0.0009","90","","90","","90","","5459.1","0.4","103","0.1","103","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H36 Cl Fe N3 -","- C32 H36 Cl Fe N3 -","- C256 H288 Cl8 Fe8 N24 -","8","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; de Kock, Carmen; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","1,2-Disubstituted ferrocenyl carbohydrate chloroquine conjugates as potential antimalarial agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6431","6442","10.1039/c2dt12050j","","","0.71073","MoKα","","0.0462","0.0334","","","0.0865","0.0958","","","","","","1.045","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019074","13.2385","0.0005","13.2385","0.0005","46.3808","0.0019","90","","90","","120","","7039.6","0.5","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C2 H4.67 Al1.17 Mg0.33 N0.33 O6 P1.5 -","- C2 Al1.17 Mg0.33 N0.333333 O6 P1.5 -","- C72 Al42.12 Mg11.88 N12 O216 P54 -","36","1","","Wang, Yanyan; Shao, Lang; Li, Yi; Li, Xu; Li, Jiyang; Yu, Jihong; Xu, Ruren","LEV-zeotype magnesium aluminophosphates with variable Mg/Al ratios.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6855","6860","10.1039/c2dt12106a","","","0.71073","MoKα","","0.0644","0.0523","","","0.1674","0.1829","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019075","13.2577","0.0004","13.2577","0.0004","45.677","0.003","90","","90","","120","","6952.9","0.5","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Al1.07 Mg0.43 O6 P1.5 -","- Al1.065 Mg0.435 O6 P1.5 -","- Al38.34 Mg15.66 O216 P54 -","36","1","","Wang, Yanyan; Shao, Lang; Li, Yi; Li, Xu; Li, Jiyang; Yu, Jihong; Xu, Ruren","LEV-zeotype magnesium aluminophosphates with variable Mg/Al ratios.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6855","6860","10.1039/c2dt12106a","","","0.71073","MoKα","","0.0594","0.0502","","","0.1513","0.1583","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019076","14.3641","0.0002","9.9629","0.0002","12.193","0.0002","90","","91.555","0.002","90","","1744.27","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Zr -","- C20 H28 Zr -","- C80 H112 Zr4 -","4","1","","Glöckner, Andreas; Bauer, Heiko; Maekawa, Miyuki; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Sun, Yu; Sitzmann, Helmut; Tamm, Matthias; Walter, Marc D.","How big is a Cp? Cycloheptatrienyl zirconium complexes with bulky cyclopentadienyl and indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6614","6624","10.1039/c2dt12132h","","","1.54184","CuKα","","0.0204","0.0202","","","0.0525","0.0526","","","","","","1.106","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7019077","10.0111","0.0002","21.1152","0.0004","10.1725","0.0002","90","","100.199","0.002","90","","2116.35","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Zr -","- C24 H36 Zr -","- C96 H144 Zr4 -","4","1","","Glöckner, Andreas; Bauer, Heiko; Maekawa, Miyuki; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Sun, Yu; Sitzmann, Helmut; Tamm, Matthias; Walter, Marc D.","How big is a Cp? Cycloheptatrienyl zirconium complexes with bulky cyclopentadienyl and indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6614","6624","10.1039/c2dt12132h","","","0.71073","MoKα","","0.0322","0.0202","","","0.0411","0.0421","","","","","","0.892","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7019078","15.0646","0.0006","8.6396","0.0004","16.4412","0.0006","90","","90.047","0.004","90","","2139.86","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Zr -","- C24 H36 Zr -","- C96 H144 Zr4 -","4","1","","Glöckner, Andreas; Bauer, Heiko; Maekawa, Miyuki; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Sun, Yu; Sitzmann, Helmut; Tamm, Matthias; Walter, Marc D.","How big is a Cp? Cycloheptatrienyl zirconium complexes with bulky cyclopentadienyl and indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6614","6624","10.1039/c2dt12132h","","","1.54184","CuKα","","0.0383","0.0348","","","0.0873","0.0886","","","","","","1.002","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7019079","10.0987","0.0004","14.0383","0.0006","15.6547","0.001","66.262","0.006","82.216","0.004","84.29","0.004","2010.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 Zr -","- C24 H30 Zr -","- C96 H120 Zr4 -","4","2","","Glöckner, Andreas; Bauer, Heiko; Maekawa, Miyuki; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Sun, Yu; Sitzmann, Helmut; Tamm, Matthias; Walter, Marc D.","How big is a Cp? Cycloheptatrienyl zirconium complexes with bulky cyclopentadienyl and indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6614","6624","10.1039/c2dt12132h","","","0.71073","MoKα","","0.0497","0.0277","","","0.0299","0.0307","","","","","","0.91","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7019080","13.6123","0.0008","21.0921","0.0012","16.3638","0.001","90","","106.805","0.006","90","","4497.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Zr -","- C28 H34 Zr -","- C224 H272 Zr8 -","8","2","","Glöckner, Andreas; Bauer, Heiko; Maekawa, Miyuki; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Sun, Yu; Sitzmann, Helmut; Tamm, Matthias; Walter, Marc D.","How big is a Cp? Cycloheptatrienyl zirconium complexes with bulky cyclopentadienyl and indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6614","6624","10.1039/c2dt12132h","","","0.71073","MoKα","","0.1137","0.0483","","","0.073","0.0781","","","","","","0.931","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7019081","11.5611","0.0004","13.3654","0.0004","13.8835","0.0004","90","","96.061","0.002","90","","2133.27","0.12","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 -","- C27 H38 -","- C108 H152 -","4","1","","Glöckner, Andreas; Bauer, Heiko; Maekawa, Miyuki; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Sun, Yu; Sitzmann, Helmut; Tamm, Matthias; Walter, Marc D.","How big is a Cp? Cycloheptatrienyl zirconium complexes with bulky cyclopentadienyl and indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6614","6624","10.1039/c2dt12132h","","","0.71073","MoKα","","0.0598","0.0376","","","0.0873","0.0912","","","","","","0.954","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7019082","9.7905","0.0005","14.2012","0.0007","16.3251","0.0009","90","","101.864","0.001","90","","2221.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23.3 H20.3 Ag N5.3 O2 -","- C23.3 H20.3 Ag N5.3 O2 -","- C93.2 H81.2 Ag4 N21.2 O8 -","4","1","","McCann, Malachy; Curran, Robert; Ben-Shoshan, Marcia; McKee, Vickie; Tahir, Asif Ali; Devereux, Michael; Kavanagh, Kevin; Creaven, Bernadette S.; Kellett, Andrew","Silver(i) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6516","6527","10.1039/c2dt12166b","","","0.71073","MoKα","","0.046","0.0347","","","0.073","0.0782","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019083","20.6935","0.0008","18.2786","0.0007","23.6859","0.001","90","","90","","90","","8959.1","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C104 H78 Ag6 N8 O14 -","- C104 H78 Ag6 N8 O14 -","- C416 H312 Ag24 N32 O56 -","4","0.5","","McCann, Malachy; Curran, Robert; Ben-Shoshan, Marcia; McKee, Vickie; Tahir, Asif Ali; Devereux, Michael; Kavanagh, Kevin; Creaven, Bernadette S.; Kellett, Andrew","Silver(i) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6516","6527","10.1039/c2dt12166b","","","0.71073","MoKα","","0.0475","0.0316","","","0.0695","0.0765","","","","","","1.025","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019084","11.7251","0.0017","17.908","0.003","23.464","0.003","111.403","0.002","90.095","0.002","101.71","0.002","4476.1","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H78 Ag6 N8 O12 -","- C106 H78 Ag6 N8 O12 -","- C212 H156 Ag12 N16 O24 -","2","1","","McCann, Malachy; Curran, Robert; Ben-Shoshan, Marcia; McKee, Vickie; Tahir, Asif Ali; Devereux, Michael; Kavanagh, Kevin; Creaven, Bernadette S.; Kellett, Andrew","Silver(i) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6516","6527","10.1039/c2dt12166b","","","0.71073","MoKα","","0.0856","0.0666","","","0.1746","0.1882","","","","","","1.049","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019085","17.6333","0.0007","19.3853","0.0008","30.4753","0.0013","96.019","0.001","95.831","0.001","90.237","0.001","10305.1","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H102 Ag6 N8 O12 -","- C118 H102 Ag6 N8 O12 -","- C472 H408 Ag24 N32 O48 -","4","2","","McCann, Malachy; Curran, Robert; Ben-Shoshan, Marcia; McKee, Vickie; Tahir, Asif Ali; Devereux, Michael; Kavanagh, Kevin; Creaven, Bernadette S.; Kellett, Andrew","Silver(i) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6516","6527","10.1039/c2dt12166b","","","0.71073","MoKα","","0.0739","0.0505","","","0.113","0.1228","","","","","","1.067","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019086","9.645","0.0006","19.0589","0.0011","21.292","0.0012","90","","90","","90","","3914","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 Ag N3 O3 -","- C21 H22 Ag N3 O3 -","- C168 H176 Ag8 N24 O24 -","8","1","","McCann, Malachy; Curran, Robert; Ben-Shoshan, Marcia; McKee, Vickie; Tahir, Asif Ali; Devereux, Michael; Kavanagh, Kevin; Creaven, Bernadette S.; Kellett, Andrew","Silver(i) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6516","6527","10.1039/c2dt12166b","","","0.71073","MoKα","","0.041","0.028","","","0.0665","0.0723","","","","","","1.027","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019087","17.388","0.002","18.74","0.002","20.159","0.002","100.511","0.005","113.597","0.004","90.274","0.005","5896.5","1.1","180","2","180","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C14 H16 Cl N O Pt S -","- C14 H16 Cl N O Pt S -","- C224 H256 Cl16 N16 O16 Pt16 S16 -","16","8","","Sasaki, Isabelle; Bijani, Christian; Ladeira, Sonia; Bourdon, Valérie; Faller, Peter; Hureau, Christelle","Interference of a new cyclometallated Pt compound with Cu binding to amyloid-β peptide.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6404","6407","10.1039/c2dt12177h","","x-ray","0.71073","MoKα","","0.0354","0.0222","","","0.0382","0.0411","","","","","","1.003","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019088","7.35","0.006","10.851","0.009","10.908","0.009","90","","94.407","0.011","90","","867.4","1.2","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(bis((3-amino-1-hydroxypropane-1,1- diyl)bis(phosphonato))diaquacobalt(ii))","{bis[(3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonato)]diaquacobalt(II)}","","- C6 H24 Co N2 O16 P4 -","- C6 H24 Co N2 O16 P4 -","- C12 H48 Co2 N4 O32 P8 -","2","0.5","","Demoro, Bruno; Caruso, Francesco; Rossi, Miriam; Benítez, Diego; González, Mercedes; Cerecetto, Hugo; Galizzi, Melina; Malayil, Leena; Docampo, Roberto; Faccio, Ricardo; Mombrú, Alvaro W; Gambino, Dinorah; Otero, Lucía","Bisphosphonate metal complexes as selective inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6468","6476","10.1039/c2dt12179d","","","0.71073","MoKα","","0.0558","0.0399","","","0.1004","0.1096","","","","","","1.19","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019089","12.5988","0.0014","13.3968","0.0015","12.5122","0.0014","90","","110.935","0.001","90","","1972.4","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tetrakis(4-amino-1-hydroxy-1-(hydroxy-oxido-phosphoryl)- butyl)phosphonatodiaquadicopper(ii) di-hydrate","tetrakis[4-amino-1-hydroxy-1-(hydroxy-oxido-phosphoryl)- butyl]phosphonatodiaquadicopper(II) di-hydrate","","- C16 H56 Cu2 N4 O32 P8 -","- C16 H52 Cu2 N4 O32 P8 -","- C32 H104 Cu4 N8 O64 P16 -","2","0.5","","Demoro, Bruno; Caruso, Francesco; Rossi, Miriam; Benítez, Diego; González, Mercedes; Cerecetto, Hugo; Galizzi, Melina; Malayil, Leena; Docampo, Roberto; Faccio, Ricardo; Mombrú, Alvaro W; Gambino, Dinorah; Otero, Lucía","Bisphosphonate metal complexes as selective inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6468","6476","10.1039/c2dt12179d","","","0.71073","MoKα","","0.0668","0.0462","","","0.1153","0.1239","","","","","","1.023","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019090","7.338","0.002","10.831","0.004","10.907","0.004","90","","94.356","0.004","90","","864.4","0.5","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(bis((3-amino-1-hydroxypropane-1,1- diyl)bis(phosphonato))nickel(ii)diaqua)","{bis[(3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonato)]nickel(II)diaqua}","","- C6 H24 N2 Ni O16 P4 -","- C6 H24 N2 Ni O16 P4 -","- C12 H48 N4 Ni2 O32 P8 -","2","0.5","","Demoro, Bruno; Caruso, Francesco; Rossi, Miriam; Benítez, Diego; González, Mercedes; Cerecetto, Hugo; Galizzi, Melina; Malayil, Leena; Docampo, Roberto; Faccio, Ricardo; Mombrú, Alvaro W; Gambino, Dinorah; Otero, Lucía","Bisphosphonate metal complexes as selective inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6468","6476","10.1039/c2dt12179d","","","0.71073","MoKα","","0.0531","0.0397","","","0.1078","0.1143","","","","","","1.212","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019091","11.985","0.006","16.493","0.008","17.398","0.008","90","","90","","90","","3439","3","293","2","293","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C33 H25 F6 Ir N2 O4 S2 -","- C33 H21 F6 Ir N2 O4 S2 -","- C132 H84 F24 Ir4 N8 O16 S8 -","4","0.5","","Wang, Renjie; Deng, Lijun; Zhang, Ting; Li, Jiuyan","Substituent effect on the photophysical properties, electrochemical properties and electroluminescence performance of orange-emitting iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6833","6841","10.1039/c2dt12206e","","","0.71073","MoKα","","0.0467","0.0343","","","0.0886","0.094","","","","","","1.054","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019092","10.1915","0.0002","18.7208","0.0003","20.7128","0.0004","86.243","0.001","81.292","0.001","86.171","0.001","3891.43","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H56 Dy4 Fe N18 O58 -","- C130 H56 Dy4 Fe N18 O58 -","- C130 H56 Dy4 Fe N18 O58 -","1","0.5","","Zhu, Yan; Luo, Feng; Song, Yu-Mei; Huang, Hai-Xiao; Sun, Gong-Ming; Tian, Xiao-Zhao; Yuan, Zi-Zun; Liao, Zhen-Wei; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan; Feng, Xue-Feng","A series of 1D Dy(iii) compound showing slow magnetic relaxation: synthesis, structure, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6749","6755","10.1039/c2dt12313d","","","0.71073","MoKα","","0.0761","0.0591","","","0.1883","0.2022","","","","","","1.078","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019093","16.1375","0.0013","18.4875","0.0015","19.6126","0.0015","82.764","0.004","75.661","0.004","89.511","0.004","5622.3","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H64 Dy4 N16 O50 -","- C108 H64 Dy4 N16 O50 -","- C216 H128 Dy8 N32 O100 -","2","1","","Zhu, Yan; Luo, Feng; Song, Yu-Mei; Huang, Hai-Xiao; Sun, Gong-Ming; Tian, Xiao-Zhao; Yuan, Zi-Zun; Liao, Zhen-Wei; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan; Feng, Xue-Feng","A series of 1D Dy(iii) compound showing slow magnetic relaxation: synthesis, structure, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6749","6755","10.1039/c2dt12313d","","","0.71073","MoKα","","0.0555","0.0483","","","0.1331","0.1364","","","","","","1.206","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019094","13.266","0.003","14.149","0.003","14.279","0.003","90","","98.181","0.003","90","","2652.9","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N2 O3.5 S -","- C14 H13 N2 O3.5 S -","- C112 H104 N16 O28 S8 -","8","2","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0876","0.0707","","","0.1843","0.2002","","","","","","1.031","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019095","4.93","0.003","11.347","0.006","11.935","0.006","75.224","0.007","80.593","0.007","80.207","0.007","631.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C28 H24 N4 O6 S2 -","2","1","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0693","0.0482","","","0.0999","0.112","","","","","","1.031","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019096","13.7701","0.0011","13.8498","0.0012","14.3225","0.0012","74.033","0.003","71.268","0.003","75.693","0.003","2448.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H86 Cl2 N12 O20 S6 Zn4 -","- C92 H86 Cl2 N12 O20 S6 Zn4 -","- C92 H86 Cl2 N12 O20 S6 Zn4 -","1","0.5","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0641","0.0422","","","0.1136","0.1337","","","","","","1.082","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019097","10.764","0.002","11.592","0.002","15.174","0.003","90","","103.642","0.002","90","","1839.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Co N4 O10 S2 -","- C38 H38 Co N4 O10 S2 -","- C76 H76 Co2 N8 O20 S4 -","2","0.5","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0436","0.0359","","","0.0905","0.0948","","","","","","1.046","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019098","10.6601","0.0007","11.664","0.0007","15.1089","0.0009","90","","103.468","0.001","90","","1827","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N4 Ni O10 S2 -","- C38 H38 N4 Ni O10 S2 -","- C76 H76 N8 Ni2 O20 S4 -","2","0.5","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0421","0.0338","","","0.0763","0.0826","","","","","","1.043","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019099","8.1836","0.0004","14.1253","0.0008","17.2139","0.0009","81.685","0.001","78.719","0.001","80.159","0.001","1909.93","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cu2 N4 O14 S2 -","- C36 H36 Cu2 N4 O14 S2 -","- C72 H72 Cu4 N8 O28 S4 -","2","1","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.039","0.0306","","","0.0808","0.0975","","","","","","1.143","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019100","15.5779","0.001","11.6168","0.0007","30.984","0.002","90","","90","","90","","5607","0.6","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26.5 H34 Cl2 N3 O3.5 S Zn -","- C26.5 H33.5 Cl2 N3 O3.5 S Zn -","- C212 H268 Cl16 N24 O28 S8 Zn8 -","8","2","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0473","0.0431","","","0.1087","0.1114","","","","","","1.039","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019101","14.016","0.003","21.426","0.005","15.589","0.004","90","","100.61","0.004","90","","4601.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 N9 O7 S3 Zn -","- C46 H47 N9 O7 S3 Zn -","- C184 H188 N36 O28 S12 Zn4 -","4","1","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0927","0.0532","","","0.1175","0.1362","","","","","","0.981","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019102","14.0823","0.0013","21.421","0.0019","15.6384","0.0014","90","","100.98","0.002","90","","4631.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 Co N9 O7 S3 -","- C46 H47 Co N9 O7 S3 -","- C184 H188 Co4 N36 O28 S12 -","4","1","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.1358","0.0589","","","0.106","0.1284","","","","","","1.013","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019103","10.307","0.0014","14.164","0.002","16.076","0.002","106.952","0.002","104.444","0.002","104.477","0.002","2037.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Cu N9 O6 S3 -","- C42 H37 Cu N9 O6 S3 -","- C84 H74 Cu2 N18 O12 S6 -","2","1","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.1205","0.0673","","","0.1267","0.1572","","","","","","1.022","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019104","12.9382","0.0015","9.678","0.0011","26.487","0.003","90","","94.538","0.002","90","","3306.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N6 Ni O7 S2 -","- C31 H34 N6 Ni O7 S2 -","- C124 H136 N24 Ni4 O28 S8 -","4","1","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.0771","0.0488","","","0.1144","0.1311","","","","","","1.048","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019105","7.8042","0.0009","9.6531","0.0012","13.5213","0.0016","93.722","0.002","95.255","0.002","109.926","0.002","948.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N4 O5 S -","- C20 H18 N4 O5 S -","- C40 H36 N8 O10 S2 -","2","1","","Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.","Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6507","6515","10.1039/c2dt12373h","","","0.71073","MoKα","","0.1067","0.0939","","","0.2419","0.2473","","","","","","1.195","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7019106","5.8633","0.0005","8.1483","0.001","11.7569","0.0015","81.909","0.01","79.334","0.009","84.497","0.008","545.09","0.11","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H11 N3 S2 -","- C9 H11 N3 S2 -","- C18 H22 N6 S4 -","2","1","","Basha, Maram T.; Chartres, Jy D.; Pantarat, Namfon; Akbar Ali, Mohammad; Mirza, Aminul Huq; Kalinowski, Danuta S.; Richardson, Des R.; Bernhardt, Paul V.","Heterocyclic dithiocarbazate iron chelators: Fe coordination chemistry and biological activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6536","6548","10.1039/c2dt12387h","","x-ray","0.71073","MoKα","","0.0999","0.0432","","","0.0752","0.0826","","","","","","0.826","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019107","33.4374","0.0017","8.858","0.0004","14.8651","0.001","90","","90.851","0.005","90","","4402.4","0.4","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cl Fe N6 O4 S4 -","- C16 H16 Cl Fe N6 O4 S4 -","- C128 H128 Cl8 Fe8 N48 O32 S32 -","8","1","","Basha, Maram T.; Chartres, Jy D.; Pantarat, Namfon; Akbar Ali, Mohammad; Mirza, Aminul Huq; Kalinowski, Danuta S.; Richardson, Des R.; Bernhardt, Paul V.","Heterocyclic dithiocarbazate iron chelators: Fe coordination chemistry and biological activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6536","6548","10.1039/c2dt12387h","","x-ray","0.71073","MoKα","","0.054","0.0406","","","0.0855","0.0908","","","","","","1.087","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019108","7.9883","0.0003","14.5465","0.0007","20.3055","0.0009","89.484","0.004","82.777","0.004","84.06","0.004","2328.22","0.18","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C39 H33 Cl2 Fe N12 O8 S5 -","- C39 H33 Cl2 Fe N12 O8 S5 -","- C78 H66 Cl4 Fe2 N24 O16 S10 -","2","1","","Basha, Maram T.; Chartres, Jy D.; Pantarat, Namfon; Akbar Ali, Mohammad; Mirza, Aminul Huq; Kalinowski, Danuta S.; Richardson, Des R.; Bernhardt, Paul V.","Heterocyclic dithiocarbazate iron chelators: Fe coordination chemistry and biological activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6536","6548","10.1039/c2dt12387h","","x-ray","1.54184","CuKα","","0.0554","0.0424","","","0.1032","0.112","","","","","","1.025","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019109","36.376","0.005","36.376","0.005","9.342","0.0007","90","","90","","120","","10705","2","293","2","293","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C19 H21 Fe N6 O2 S4 -","- C16 H15 Fe N6 O S4 -","- C288 H270 Fe18 N108 O18 S72 -","18","1","","Basha, Maram T.; Chartres, Jy D.; Pantarat, Namfon; Akbar Ali, Mohammad; Mirza, Aminul Huq; Kalinowski, Danuta S.; Richardson, Des R.; Bernhardt, Paul V.","Heterocyclic dithiocarbazate iron chelators: Fe coordination chemistry and biological activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6536","6548","10.1039/c2dt12387h","","x-ray","0.71073","MoKα","","0.1707","0.0933","","","0.216","0.2546","","","","","","0.949","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019110","10.4048","0.0011","11.3542","0.0013","14.9983","0.0018","90","","90","","90","","1771.9","0.3","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cu N4 O2 -","- C18 H20 Cu N4 O2 -","- C72 H80 Cu4 N16 O8 -","4","1","","Martí, Inés; Ferrer, Armando; Escorihuela, Jorge; Burguete, M. Isabel; Luis, Santiago V.","Copper(ii) complexes of bis(amino amide) ligands: effect of changes in the amino acid residue.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6764","6776","10.1039/c2dt12459a","","","0.71073","MoKα","","0.1022","0.05","","","0.104","0.1244","","","","","","1.017","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019111","9.5315","0.0002","12.0135","0.0003","20.7584","0.0004","90","","90","","90","","2376.98","0.09","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Cu N4 O4 -","- C23 H34 Cu N4 O4 -","- C92 H136 Cu4 N16 O16 -","4","1","","Martí, Inés; Ferrer, Armando; Escorihuela, Jorge; Burguete, M. Isabel; Luis, Santiago V.","Copper(ii) complexes of bis(amino amide) ligands: effect of changes in the amino acid residue.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6764","6776","10.1039/c2dt12459a","","","0.71073","MoKα","","0.0303","0.0257","","","0.0648","0.0667","","","","","","1.012","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019112","14.7914","0.0002","6.8099","0.0001","20.2659","0.0003","90","","99.156","0.001","90","","2015.33","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Cl Mn N3 O5 -","- C20 H21 Cl Mn N3 O5 -","- C80 H84 Cl4 Mn4 N12 O20 -","4","1","","Glans, Lotta; Hu, Wanning; Jöst, Christian; de Kock, Carmen; Smith, Peter J.; Haukka, Matti; Bruhn, Heike; Schatzschneider, Ulrich; Nordlander, Ebbe","Synthesis and biological activity of cymantrene and cyrhetrene 4-aminoquinoline conjugates against malaria, leishmaniasis, and trypanosomiasis.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6443","6450","10.1039/c2dt30077j","","","0.71073","MoKα","","0.0432","0.031","","","0.0783","0.0853","","","","","","1.024","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019113","10.379","0.002","14.886","0.003","19.785","0.006","90","","116.6","0.02","90","","2733.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N2 Ni O3 P -","- C34 H25 N2 Ni O3 P -","- C136 H100 N8 Ni4 O12 P4 -","4","1","","Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Variation in the biomolecular interactions of nickel(ii) hydrazone complexes upon tuning the hydrazide fragment.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6842","6854","10.1039/c2dt30121k","","","0.71073","MoKα","","0.1854","0.088","","","0.1057","0.1279","","","","","","1.503","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019114","15.499","0.003","10.844","0.005","21.084","0.004","90","","125.601","0.015","90","","2881.3","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N2 Ni O2 P S -","- C34 H25 N2 Ni O2 P S -","- C136 H100 N8 Ni4 O8 P4 S4 -","4","1","","Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Variation in the biomolecular interactions of nickel(ii) hydrazone complexes upon tuning the hydrazide fragment.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6842","6854","10.1039/c2dt30121k","","","0.71069","MoKα","","0.0322","0.0284","","","0.0723","0.0738","","","","","","1.081","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019115","9.2392","0.0003","10.5922","0.0003","13.2643","0.0004","90","","105.727","0.002","90","","1249.5","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 N4 O4 Zn -","- C24 H46 N4 O4 Zn -","- C48 H92 N8 O8 Zn2 -","2","0.5","","Ross, Allison; Choi, Jong-Ha; Hunter, Tina M.; Pannecouque, Christophe; Moggach, Stephen A.; Parsons, Simon; De Clercq, Erik; Sadler, Peter J.","Zinc(ii) complexes of constrained antiviral macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6408","6418","10.1039/c2dt30140g","","","0.71073","MoKα","","0.0321","0.0254","","0.0685","0.0676","0.0685","","","","","","0.912","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019116","24.5797","0.0011","29.3304","0.0012","13.1572","0.0006","90","","95.597","0.003","90","","9440.2","0.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cl N4 Zn -","- C42 H56 Cl N4 Zn -","- C336 H448 Cl8 N32 Zn8 -","8","1","","Ross, Allison; Choi, Jong-Ha; Hunter, Tina M.; Pannecouque, Christophe; Moggach, Stephen A.; Parsons, Simon; De Clercq, Erik; Sadler, Peter J.","Zinc(ii) complexes of constrained antiviral macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6408","6418","10.1039/c2dt30140g","","","0.71073","MoKα","","0.1231","0.0881","","0.2018","0.172","0.2018","","","","","","0.9423","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019117","10.9677","0.0002","16.4392","0.0003","13.4252","0.0002","90","","95.5146","0.0007","90","","2409.36","0.07","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18.5 H27 Br2 Cl N4 Ni -","- C18.5 H27 Br2 Cl N4 Ni -","- C74 H108 Br8 Cl4 N16 Ni4 -","4","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.086","0.0645","","","0.1635","0.1846","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019118","11.1769","0.0002","15.9132","0.0002","13.9105","0.0003","90","","95.1397","0.0007","90","","2464.18","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Br2 N4 Ni -","- C20 H30 Br2 N4 Ni -","- C80 H120 Br8 N16 Ni4 -","4","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.0882","0.0447","","","0.0924","0.107","","","","","","1.003","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019119","10.4314","0.0008","10.5173","0.0008","16.341","0.0012","99.62","0.001","97.462","0.001","115.391","0.001","1555.4","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Br4 N4 Ni2 -","- C28 H32 Br4 N4 Ni2 -","- C56 H64 Br8 N8 Ni4 -","2","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.1537","0.0842","","","0.2482","0.271","","","","","","1.084","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019120","12.8652","0.0001","10.1571","0.0001","14.6983","0.0002","90","","104.66","0.0005","90","","1858.14","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Br4 N4 Ni2 -","- C36 H46 Br4 N4 Ni2 -","- C72 H92 Br8 N8 Ni4 -","2","0.5","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.0493","0.0357","","","0.0883","0.1012","","","","","","1.225","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019121","13.4202","0.0002","7.5579","0.0001","13.7783","0.0002","90","","101.645","0.0007","90","","1368.75","0.03","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Br2 N2 Ni -","- C10 H16 Br2 N2 Ni -","- C40 H64 Br8 N8 Ni4 -","4","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.0499","0.0363","","","0.0883","0.1061","","","","","","1.08","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019122","6.7101","0.0003","15.517","0.0007","12.6527","0.0006","90","","94.437","0.001","90","","1313.46","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Br2 N2 Ni -","- C10 H16 Br2 N2 Ni -","- C40 H64 Br8 N8 Ni4 -","4","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.0375","0.0232","","","0.0463","0.0486","","","","","","1.009","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019123","11.7867","0.0004","10.3876","0.0004","14.1012","0.0005","90","","108.057","0.0008","90","","1641.45","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Br4 N4 Ni2 -","- C30 H36 Br4 N4 Ni2 -","- C60 H72 Br8 N8 Ni4 -","2","0.5","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.0636","0.036","","","0.0821","0.0888","","","","","","1","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019124","10.2488","0.0002","14.7285","0.0003","13.6969","0.0003","90","","93.5792","0.0009","90","","2063.51","0.07","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Br2 N2 Ni -","- C19 H26 Br2 N2 Ni -","- C76 H104 Br8 N8 Ni4 -","4","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.0974","0.049","","","0.1055","0.1348","","","","","","1.003","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019125","8.0121","0.0003","8.6141","0.0003","10.4721","0.0004","76.293","0.001","89.199","0.001","71.404","0.001","664.02","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Br4 N4 Ni2 -","- C20 H32 Br4 N4 Ni2 -","- C20 H32 Br4 N4 Ni2 -","1","0.5","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.0338","0.0225","","","0.0508","0.0529","","","","","","1.025","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019126","13.9446","0.0005","8.1918","0.0003","13.5562","0.0004","90","","108.273","0.0007","90","","1470.46","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Br2 N2 Ni -","- C11 H18 Br2 N2 Ni -","- C44 H72 Br8 N8 Ni4 -","4","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6661","6670","10.1039/c2dt30151b","","","0.71073","MoKα","","0.0609","0.0382","","","0.1141","0.1223","","","","","","1.027","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019127","13.501","0.004","20.289","0.006","14.126","0.004","90","","90.104","0.008","90","","3869","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H75 Mo2 N11 O4 -","- C95 H75 Mo2 N11 O4 -","- C190 H150 Mo4 N22 O8 -","2","0.5","","Hicks, Jamie; Ring, Sam P.; Patmore, Nathan J.","Tuning the electronic structure of Mo-Mo quadruple bonds by N for O for S substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6641","6650","10.1039/c2dt30234a","","","0.71073","MoKα","","0.0708","0.0529","","","0.128","0.1399","","","","","","1.181","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019128","26.8014","0.0014","26.8014","0.0014","10.1004","0.0006","90","","90","","90","","7255.3","0.7","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C88 H72 Mo2 N4 S4 -","- C88 H72 Mo2 N4 S4 -","- C352 H288 Mo8 N16 S16 -","4","0.5","","Hicks, Jamie; Ring, Sam P.; Patmore, Nathan J.","Tuning the electronic structure of Mo-Mo quadruple bonds by N for O for S substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6641","6650","10.1039/c2dt30234a","","","0.71073","MoKα","","0.0908","0.0556","","","0.1276","0.1479","","","","","","1.068","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019129","18.816","0.0006","12.8292","0.0004","17.2278","0.0005","90","","90.032","0.002","90","","4158.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Mo2 O10 -","- C44 H36 Mo2 O10 -","- C176 H144 Mo8 O40 -","4","1","","Hicks, Jamie; Ring, Sam P.; Patmore, Nathan J.","Tuning the electronic structure of Mo-Mo quadruple bonds by N for O for S substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6641","6650","10.1039/c2dt30234a","","","0.71073","MoKα","","0.0668","0.0596","","","0.1406","0.1434","","","","","","1.271","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019130","19.2125","0.0016","8.7839","0.0007","16.983","0.0013","90","","116.224","0.006","90","","2571.1","0.4","121","2","121","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 Cl4 N4 O P3 -","- C3 H7 Cl4 N4 O P3 -","- C24 H56 Cl32 N32 O8 P24 -","8","2","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.0235","0.0221","","","0.0616","0.0626","","","","","","1.059","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019131","29.79","0.003","6.5492","0.0006","15.5333","0.0014","90","","114.598","0.001","90","","2755.5","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Cl3 N4 O2 P3 -","- C4 H10 Cl3 N4 O2 P3 -","- C32 H80 Cl24 N32 O16 P24 -","8","1","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.048","0.0421","","","0.1101","0.1143","","","","","","1.067","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019132","8.6889","0.0006","11.8941","0.0008","26.4305","0.0018","90","","90","","90","","2731.5","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","cyclophosphazene","","","- C5 H13 Cl2 N4 O3 P3 -","- C5 H13 Cl2 N4 O3 P3 -","- C40 H104 Cl16 N32 O24 P24 -","8","1","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.0292","0.0282","","","0.0693","0.0699","","","","","","1.16","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019133","8.8585","0.0002","11.5296","0.0003","16.1551","0.0004","90","","90","","90","","1650","0.07","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","309_494_A","","","- C9 H12 Cl3 N4 O2 P3 -","- C9 H12 Cl3 N4 O2 P3 -","- C36 H48 Cl12 N16 O8 P12 -","4","1","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.028","0.0266","","","0.0712","0.0722","","","","","","1.068","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019134","12.0419","0.0006","20.606","0.0011","8.0388","0.0005","90","","97.795","0.003","90","","1976.28","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cyclophosphazene","","","- C15 H17 Cl2 N4 O3 P3 -","- C15 H17 Cl2 N4 O3 P3 -","- C60 H68 Cl8 N16 O12 P12 -","4","1","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.0352","0.0312","","","0.0819","0.0851","","","","","","1.067","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019135","16.1437","0.0011","7.9041","0.0006","16.7683","0.0012","90","","108.303","0.003","90","","2031.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cyclophosphazene","","","- C11 H23 Cl2 N4 O6 P3 -","- C11 H23 Cl2 N4 O6 P3 -","- C44 H92 Cl8 N16 O24 P12 -","4","1","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.0333","0.0278","","","0.0724","0.0766","","","","","","1.05","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019136","15.4585","0.0004","7.9301","0.0002","22.5964","0.0006","90","","97.09","0.001","90","","2748.85","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H13 Cl2 N4 O3 P3 -","- C6 H13 Cl2 N4 O3 P3 -","- C48 H104 Cl16 N32 O24 P24 -","8","2","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.0255","0.0231","","","0.0671","0.0691","","","","","","1.082","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019137","29.956","0.005","8.0173","0.0013","20.629","0.004","90","","122.302","0.005","90","","4187.7","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H17.5 Co3 N5 O12.25 S -","- C11 H13 Co3 N5 O11.25 S -","- C88 H104 Co24 N40 O90 S8 -","8","1","","Liu, Zhong-Yi; Yang, En-Cui; Li, Li-Ly; Zhao, Xiao-Jun","A reversible SCSC transformation from a blue metamagnetic framework to a pink antiferromagnetic ordering layer exhibiting concomitant solvatochromic and solvatomagnetic effects.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6827","6832","10.1039/c2dt30245d","","","0.71073","MoKα","","0.0396","0.0315","","","0.0888","0.0939","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019138","14.835","0.006","7.831","0.003","21.085","0.006","90","","122.317","0.019","90","","2070.1","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19.25 Co3 N5 O14.125 S -","- C10 H17 Co3 N5 O14.13 S -","- C40 H68 Co12 N20 O56.52 S4 -","4","1","","Liu, Zhong-Yi; Yang, En-Cui; Li, Li-Ly; Zhao, Xiao-Jun","A reversible SCSC transformation from a blue metamagnetic framework to a pink antiferromagnetic ordering layer exhibiting concomitant solvatochromic and solvatomagnetic effects.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6827","6832","10.1039/c2dt30245d","","","0.71073","MoKα","","0.0557","0.0402","","","0.0989","0.1094","","","","","","1.031","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019139","10.0772","0.0003","15.3419","0.0005","21.5215","0.0008","90","","92.164","0.001","90","","3324.92","0.19","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(N,N?-bis(4-azido-2,6-diisopropylphenyl)imidazol-2- ylidene)chlorosilver(i)","","","- C28 H36 Ag Cl3 N8 -","- C28 H36 Ag Cl3 N8 -","- C112 H144 Ag4 Cl12 N32 -","4","1","","Hospital, Audrey; Gibard, Clémentine; Gaulier, Christelle; Nauton, Lionel; Théry, Vincent; El-Ghozzi, Malika; Avignant, Daniel; Cisnetti, Federico; Gautier, Arnaud","Access to functionalised silver(i) and gold(i) N-heterocyclic carbenes by [2 + 3] dipolar cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6803","6812","10.1039/c2dt30249g","","","0.71073","MoKα","","0.0651","0.0425","","0.0883","0.049","0.0473","","","","","","0.8432","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019140","11.5948","0.0009","14.201","0.0012","14.4224","0.0012","74.32","0.005","66.567","0.004","88.958","0.004","2087.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","(N,N?-bis(4-azido-2,6-diisopropylphenyl)imidazol-2- ylidene)chlorosilver(i)","","","- C43 H46 Ag Cl N8 -","- C43 H46 Ag Cl N8 -","- C86 H92 Ag2 Cl2 N16 -","2","1","","Hospital, Audrey; Gibard, Clémentine; Gaulier, Christelle; Nauton, Lionel; Théry, Vincent; El-Ghozzi, Malika; Avignant, Daniel; Cisnetti, Federico; Gautier, Arnaud","Access to functionalised silver(i) and gold(i) N-heterocyclic carbenes by [2 + 3] dipolar cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6803","6812","10.1039/c2dt30249g","","","0.71073","MoKα","","0.2721","0.0686","","0.1374","0.0523","0.0431","","","","","","1.1601","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019141","9.9292","0.0003","15.3418","0.0005","21.8821","0.0007","90","","90.995","0.001","90","","3332.84","0.18","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(N,N?-bis(4-azido-2,6-diisopropylphenyl)imidazol-2- ylidene)chlorosilver(i)","","","- C27 H34 Au Cl N8 -","- C27 H34 Au Cl N8 -","- C108 H136 Au4 Cl4 N32 -","4","1","","Hospital, Audrey; Gibard, Clémentine; Gaulier, Christelle; Nauton, Lionel; Théry, Vincent; El-Ghozzi, Malika; Avignant, Daniel; Cisnetti, Federico; Gautier, Arnaud","Access to functionalised silver(i) and gold(i) N-heterocyclic carbenes by [2 + 3] dipolar cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6803","6812","10.1039/c2dt30249g","","","0.71073","MoKα","","0.0943","0.0598","","0.0832","0.0583","0.0539","","","","","","0.9989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019142","10.8547","0.0008","10.9159","0.0008","23.1074","0.0016","83.825","0.001","86.706","0.001","63.385","0.001","2433.5","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H57 Cl3 Eu N4 O3 P3 -","- C46 H57 Cl3 Eu N4 O3 P3 -","- C92 H114 Cl6 Eu2 N8 O6 P6 -","2","1","","Sainz-Gonzalo, F J; Casimiro, M.; Popovici, C.; Rodríguez-Diéguez, A; Fernández-Sánchez, J F; Fernández, I; López-Ortiz, F; Fernández-Gutiérrez, A","Development of polymeric sensing films based on a tridentate bis(phosphinic amide)-phosphine oxide for detecting europium(iii) in water.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6735","6748","10.1039/c2dt30257h","","","0.71073","MoKα","","0.0428","0.039","","","0.0934","0.0978","","","","","","1.048","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019143","19.2239","0.0012","19.2239","0.0012","19.2239","0.0012","90","","90","","90","","7104.4","0.8","273","2","273","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C78 H90 Li6 O12 -","- C78 H90 Li6 O12 -","- C312 H360 Li24 O48 -","4","0.166667","","Nakajima, Hideto; Yasuda, Makoto; Baba, Akio","Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6602","6606","10.1039/c2dt30266g","","","0.71075","MoKα","","0.1398","0.1069","","","0.2622","0.2869","","","","","","1.048","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019144","19.5449","0.0006","19.5449","0.0006","19.5449","0.0006","90","","90","","90","","7466.2","0.4","273","2","273","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C84 H102 Li6 O12 -","- C84 H102 Li6 O12 -","- C336 H408 Li24 O48 -","4","0.166667","","Nakajima, Hideto; Yasuda, Makoto; Baba, Akio","Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6602","6606","10.1039/c2dt30266g","","","0.71075","MoKα","","0.0965","0.0845","","","0.2544","0.2687","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019145","12.3152","0.0005","15.6985","0.0007","22.3318","0.0008","90","","94.31","0.001","90","","4305.2","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H117 Li6 O12 -","- C93 H117 Li6 O12 -","- C186 H234 Li12 O24 -","2","0.5","","Nakajima, Hideto; Yasuda, Makoto; Baba, Akio","Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6602","6606","10.1039/c2dt30266g","","","0.71075","MoKα","","0.0922","0.0737","","","0.2098","0.2325","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019146","31.5198","0.0006","16.6893","0.0003","31.2344","0.0006","90","","90","","90","","16430.6","0.5","253","2","253","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C171 H195 F12 Li12 O24 -","- C171 H195 F12 Li12 O24 -","- C684 H780 F48 Li48 O96 -","4","0.5","","Nakajima, Hideto; Yasuda, Makoto; Baba, Akio","Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6602","6606","10.1039/c2dt30266g","","","0.71075","MoKα","","0.0986","0.0784","","","0.2378","0.2628","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019147","12.9238","0.0013","13.6966","0.0015","14.6695","0.0015","67.099","0.002","64.141","0.002","64.306","0.002","2040.6","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H104 Li6 O10 -","- C94 H104 Li6 O10 -","- C94 H104 Li6 O10 -","1","0.5","","Nakajima, Hideto; Yasuda, Makoto; Baba, Akio","Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6602","6606","10.1039/c2dt30266g","","","0.71075","MoKα","","0.1967","0.0946","","","0.2179","0.2804","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019148","19.315","0.002","19.315","0.002","24.872","0.003","90","","90","","120","","8035.8","1.5","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51.5 H83 Li3 N6 O3.5 -","- C51.51 H81 Li3 N6 O3.51 -","- C309.06 H486 Li18 N36 O21.06 -","6","0.333333","","Ikpo, Nduka; Hoffmann, Christian; Dawe, Louise N.; Kerton, Francesca M.","Ring-opening polymerization of ε-caprolactone by lithium piperazinyl-aminephenolate complexes: synthesis, characterization and kinetic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6651","6660","10.1039/c2dt30276d","","","0.71075","MoKα","","0.0596","0.0589","","","0.167","0.1677","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019149","9.905","0.002","18.234","0.005","20.026","0.006","107.574","0.003","103.944","0.005","90.86","0.004","3331.3","1.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H111 Li3 N6 O3 -","- C66 H111 Li3 N6 O3 -","- C132 H222 Li6 N12 O6 -","2","1","","Ikpo, Nduka; Hoffmann, Christian; Dawe, Louise N.; Kerton, Francesca M.","Ring-opening polymerization of ε-caprolactone by lithium piperazinyl-aminephenolate complexes: synthesis, characterization and kinetic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6651","6660","10.1039/c2dt30276d","","","0.71075","MoKα","","0.1174","0.1008","","","0.2768","0.294","","","","","","1.104","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019150","7.2332","0.0014","10.101","0.002","10.244","0.002","113.69","0.03","99.59","0.03","104.37","0.03","633.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C26 H22 Co2 N2 O12 -","2","1","","Liu, Sui-Jun; Xue, Li; Hu, Tong-Liang; Bu, Xian-He","Two new Co(II) coordination polymers based on carboxylate-bridged di- and trinuclear clusters with a pyridinedicarboxylate ligand: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6813","6819","10.1039/c2dt30297g","","","0.71073","MoKα","","0.048","0.0382","","","0.0817","0.0851","","","","","","1.131","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019151","11.122","0.002","17.349","0.003","7.7865","0.0016","90","","106.64","0.03","90","","1439.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Co3 N2 O14 -","- C28 H20 Co3 N2 O14 -","- C56 H40 Co6 N4 O28 -","2","0.5","","Liu, Sui-Jun; Xue, Li; Hu, Tong-Liang; Bu, Xian-He","Two new Co(II) coordination polymers based on carboxylate-bridged di- and trinuclear clusters with a pyridinedicarboxylate ligand: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6813","6819","10.1039/c2dt30297g","","","0.71073","MoKα","","0.1429","0.0812","","","0.1481","0.1739","","","","","","1.077","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019152","7.7501","0.0008","8.6677","0.0008","11.4926","0.0012","106.744","0.009","92.718","0.008","102.944","0.008","715.3","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Hg Mn2 N4 S6 Sb2 -","- C24 H16 Hg Mn2 N4 S6 Sb2 -","- C24 H16 Hg Mn2 N4 S6 Sb2 -","1","0.5","","Wang, Kai-Yao; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of novel organic-decorated quaternary TM-Hg-Sb-Q compounds (TM = Mn, Fe, Co; Q = S, Se) by the combination of three types of metal coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6689","6695","10.1039/c2dt30366c","","","0.71073","MoKα","","0.0827","0.0476","","","0.0804","0.0926","","","","","","1.005","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019153","7.5404","0.0004","10.8268","0.0006","12.5959","0.0009","69.403","0.006","78.061","0.005","86.215","0.005","941.73","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Hg Mn N4 Sb2 Se5 -","- C6 H18 Hg Mn N4 Sb2 Se5 -","- C12 H36 Hg2 Mn2 N8 Sb4 Se10 -","2","1","","Wang, Kai-Yao; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of novel organic-decorated quaternary TM-Hg-Sb-Q compounds (TM = Mn, Fe, Co; Q = S, Se) by the combination of three types of metal coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6689","6695","10.1039/c2dt30366c","","","0.71073","MoKα","","0.0535","0.0399","","","0.0891","0.0978","","","","","","1.084","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019154","7.5282","0.0004","10.7335","0.0006","12.5982","0.0008","69.494","0.005","78.655","0.005","86.608","0.004","934.8","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Fe Hg N4 Sb2 Se5 -","- C6 H18 Fe Hg N4 Sb2 Se5 -","- C12 H36 Fe2 Hg2 N8 Sb4 Se10 -","2","1","","Wang, Kai-Yao; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of novel organic-decorated quaternary TM-Hg-Sb-Q compounds (TM = Mn, Fe, Co; Q = S, Se) by the combination of three types of metal coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6689","6695","10.1039/c2dt30366c","","","0.71073","MoKα","","0.0556","0.0386","","","0.0663","0.0724","","","","","","1.04","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019155","7.5076","0.0004","10.6782","0.0006","12.5866","0.0009","69.63","0.006","78.974","0.005","86.992","0.004","928.37","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Co Hg N4 Sb2 Se5 -","- C6 H18 Co Hg N4 Sb2 Se5 -","- C12 H36 Co2 Hg2 N8 Sb4 Se10 -","2","1","","Wang, Kai-Yao; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of novel organic-decorated quaternary TM-Hg-Sb-Q compounds (TM = Mn, Fe, Co; Q = S, Se) by the combination of three types of metal coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6689","6695","10.1039/c2dt30366c","","","0.71073","MoKα","","0.0463","0.036","","","0.062","0.0663","","","","","","1.027","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019156","15.6535","0.0009","18.4051","0.001","27.97","0.002","104.784","0.003","97.91","0.003","109.773","0.002","7106.6","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H39 Cl2 N3 Ni P2 -","- C16 H39 Cl2 N3 Ni P2 -","- C192 H468 Cl24 N36 Ni12 P24 -","12","6","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.0658","0.0397","","","0.0882","0.0998","","","","","","1.013","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019157","23.205","0.006","10.981","0.002","8.9992","0.0019","90","","90","","90","","2293.1","0.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H39 Cl2 N3 P2 Pd -","- C16 H39 Cl2 N3 P2 Pd -","- C64 H156 Cl8 N12 P8 Pd4 -","4","1","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.0745","0.0464","","","0.0908","0.1001","","","","","","1.047","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019158","8.4687","0.001","11.3598","0.0013","15.5241","0.0018","82.318","0.007","74.896","0.007","68.538","0.006","1340.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H40 Cl4 N2 Ni P2 S -","- C17 H40 Cl4 N2 Ni P2 S -","- C34 H80 Cl8 N4 Ni2 P4 S2 -","2","1","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.1121","0.0566","","","0.1273","0.1568","","","","","","1.049","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019159","8.4324","0.0004","11.4053","0.0006","15.4027","0.0008","81.069","0.002","74.771","0.002","68.76","0.002","1329.25","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H40 Cl4 N2 P2 Pd S -","- C17 H40 Cl4 N2 P2 Pd S -","- C34 H80 Cl8 N4 P4 Pd2 S2 -","2","1","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.0318","0.0244","","","0.0547","0.0577","","","","","","1.019","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019160","21.04","0.003","8.6683","0.0009","27.228","0.003","90","","104.473","0.009","90","","4808.3","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H42 Cl N3 P2 Pd -","- C17 H42 Cl N3 P2 Pd -","- C136 H336 Cl8 N24 P16 Pd8 -","8","1","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.0663","0.0394","","","0.0761","0.0845","","","","","","1.028","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019161","8.4214","0.0015","11.43","0.002","15.337","0.003","81.066","0.008","74.944","0.008","69.118","0.008","1328.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H43 Cl3 N2 P2 Pd S -","- C18 H43 Cl3 N2 P2 Pd S -","- C36 H86 Cl6 N4 P4 Pd2 S2 -","2","1","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.0419","0.0297","","","0.0667","0.071","","","","","","1.019","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019162","10.5371","0.0004","8.88","0.0004","27.036","0.0009","90","","93.029","0.002","90","","2526.21","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 F6 N3 P3 Pd -","- C16 H39 F6 N3 P3 Pd -","- C64 H156 F24 N12 P12 Pd4 -","4","1","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.046","0.04","","","0.0993","0.1033","","","","","","1.026","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019163","10.4144","0.0005","10.5406","0.0006","12.3384","0.0007","84.575","0.002","67.522","0.002","88.505","0.002","1245.85","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 F6 N3 P3 Pt -","- C16 H40 F6 N3 P3 Pt -","- C32 H80 F12 N6 P6 Pt2 -","2","1","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.0167","0.0155","","","0.0354","0.0358","","","","","","1.039","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019164","8.1465","0.0004","20.292","0.0009","15.7726","0.0007","90","","91.056","0.002","90","","2606.9","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12.8 H30.4 F4.8 N1.6 P2.4 Pt0.8 S0.8 -","- C12.8 H30.4 F4.8 N1.6 P2.4 Pt0.8 S0.8 -","- C64 H152 F24 N8 P12 Pt4 S4 -","5","2.5","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.076","0.0649","","","0.1594","0.1662","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019165","49.3489","0.0008","18.528","0.0004","18.4705","0.0005","90","","90","","90","","16888.3","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H69 Cl2 Co2 Eu3 N12 O48 -","- C72 H68 Cl2 Co2 Eu3 N12 O48 -","- C576 H544 Cl16 Co16 Eu24 N96 O384 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.1003","0.0672","","","0.1602","0.1709","","","","","","1.065","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7019166","49.0783","0.001","18.7144","0.0003","18.5617","0.0004","90","","90","","90","","17048.4","0.6","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H63 Cl2 Co2 Gd3 N12 O45 -","- C72 H60.5 Cl2 Co2 Gd3 N12 O45 -","- C576 H484 Cl16 Co16 Gd24 N96 O360 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0914","0.0563","","","0.1266","0.1354","","","","","","1.038","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019167","49.0712","0.0007","18.5625","0.0003","18.3672","0.0003","90","","90","","90","","16730.4","0.5","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H66 Cl2 Co2 N12 O46.5 Tb3 -","- C72 H65 Cl2 Co2 N12 O46.5 Tb3 -","- C576 H520 Cl16 Co16 N96 O372 Tb24 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0955","0.062","","","0.1184","0.1257","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019168","48.8513","0.0005","18.5561","0.0003","18.3965","0.0003","90","","90","","90","","16676.2","0.4","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H69 Cl2 Co2 Dy3 N12 O48 -","- C72 H68 Cl2 Co2 Dy3 N12 O48 -","- C576 H544 Cl16 Co16 Dy24 N96 O384 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.1196","0.1001","","","0.1875","0.1943","","","","","","1.191","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019169","48.617","0.0011","18.6939","0.0005","18.6061","0.0003","90","","90","","90","","16910","0.7","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H68 Cl2 Co2 Ho3 N12 O47.5 -","- C72 H59 Cl2 Co2 Ho3 N12 O47.5 -","- C576 H472 Cl16 Co16 Ho24 N96 O380 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0932","0.0489","","","0.0988","0.1075","","","","","","0.927","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019170","48.374","0.016","18.507","0.006","18.426","0.006","90","","90","","90","","16496","9","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H69 Cl2 Co2 N12 O48 Tm3 -","- C72 H66 Cl2 Co2 N12 O48 Tm3 -","- C576 H528 Cl16 Co16 N96 O384 Tm24 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0571","0.0543","","","0.1079","0.1091","","","","","","1.175","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019171","49.3489","0.0008","18.528","0.0004","18.4705","0.0005","90","","90","","90","","16888.3","0.6","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H67.5 Cl2 Co2 Lu3 N12 O47.25 -","- C72 H64 Cl2 Co2 Lu3 N12 O47.25 -","- C576 H512 Cl16 Co16 Lu24 N96 O378 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0797","0.0605","","","0.1019","0.1093","","","","","","1.123","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019172","13.2089","0.0019","21.194","0.003","24.281","0.004","90","","90","","90","","6797.5","1.8","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 F28 La N Na O8 -","- C58 H59 F28 La N Na O8 -","- C232 H236 F112 La4 N4 Na4 O32 -","4","1","","Lin, Yiji; Zou, Fang; Wan, Shigang; Ouyang, Jie; Lin, Lirong; Zhang, Hui","Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes capped with an alkali metal cation in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6696","6706","10.1039/c2dt30431g","","","0.71073","MoKα","","0.077","0.0606","","","0.1426","0.1561","","","","","","1.031","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019173","50.055","0.01","10.18","0.002","25.983","0.005","90","","97.64","0.03","90","","13122","5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C56 H58 Cs F28 N0 O9 Yb -","- C56 H55 Cs F28 O9 Yb -","- C448 H440 Cs8 F224 O72 Yb8 -","8","2","","Lin, Yiji; Zou, Fang; Wan, Shigang; Ouyang, Jie; Lin, Lirong; Zhang, Hui","Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes capped with an alkali metal cation in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6696","6706","10.1039/c2dt30431g","","","0.71073","MoKα","","0.1195","0.0707","","","0.1676","0.2052","","","","","","0.996","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019174","10.273","0.007","13.374","0.008","13.816","0.009","110.346","0.013","103.275","0.012","94.979","0.013","1703.1","1.9","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C56 H58 Cs F28 N0 O9 Yb -","- C56 H53 Cs F28 O9 Yb -","- C56 H53 Cs F28 O9 Yb -","1","1","","Lin, Yiji; Zou, Fang; Wan, Shigang; Ouyang, Jie; Lin, Lirong; Zhang, Hui","Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes capped with an alkali metal cation in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6696","6706","10.1039/c2dt30431g","","","0.71073","MoKα","","0.1058","0.0699","","","0.1601","0.1767","","","","","","0.885","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019175","12.4596","0.0014","15.9029","0.0018","17.1665","0.0018","97.391","0.002","98.535","0.002","97.493","0.003","3296.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H88 Cl2 O8 P2 Pt -","- C68 H80 Cl2 O6 P2 Pt -","- C136 H160 Cl4 O12 P4 Pt2 -","2","1","","Rios, Beatriz E.; Sood, Paul; Klichko, Yaroslav; Koutha, Mohan; Powell, Douglas; Lattman, Michael","A bisphosphonite calix[5]arene ligand that stabilizes η(6) arene coordination to palladium.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6677","6682","10.1039/c2dt30491k","","","0.71073","MoKα","","0.0461","0.0387","","","0.0926","0.0961","","","","","","1","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019176","17.467","0.005","15.883","0.004","25.891","0.007","90","","91.334","0.014","90","","7181","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H80 Cl4 F6 O11 P2 Pd S2 -","- C71 H80 Cl4 F6 O11 P2 Pd S2 -","- C284 H320 Cl16 F24 O44 P8 Pd4 S8 -","4","1","","Rios, Beatriz E.; Sood, Paul; Klichko, Yaroslav; Koutha, Mohan; Powell, Douglas; Lattman, Michael","A bisphosphonite calix[5]arene ligand that stabilizes η(6) arene coordination to palladium.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6677","6682","10.1039/c2dt30491k","","","1.54178","CuKα","","0.0907","0.0602","","","0.1473","0.168","","","","","","1.069","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019177","12.421","0.002","15.899","0.003","17.188","0.004","97.341","0.003","98.159","0.003","97.589","0.004","3293.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H88 Cl2 O8 P2 Pd -","- C68 H80 Cl2 O6 P2 Pd -","- C136 H160 Cl4 O12 P4 Pd2 -","2","1","","Rios, Beatriz E.; Sood, Paul; Klichko, Yaroslav; Koutha, Mohan; Powell, Douglas; Lattman, Michael","A bisphosphonite calix[5]arene ligand that stabilizes η(6) arene coordination to palladium.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6677","6682","10.1039/c2dt30491k","","","0.71073","MoKα","","0.1201","0.0674","","","0.1342","0.1509","","","","","","0.989","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019178","12.9436","0.0004","22.1598","0.0004","23.0298","0.0006","90","","101.235","0.0009","90","","6479","0.3","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H36 Eu F18 O10 P3 -","- C55.001 H36 Eu F18 O10 P3 -","- C220.004 H144 Eu4 F72 O40 P12 -","4","1","","Kuramochi, Yusuke; Nakagawa, Tetsuya; Yokoo, Toshiaki; Yuasa, Junpei; Kawai, Tsuyoshi; Hasegawa, Yasuchika","Eu(iii) emission band changes caused by peripheral C-H/O hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6634","6640","10.1039/c2dt30538k","","","0.71075","MoKα","","","0.0395","","","","0.1318","","","","","","1.037","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019179","13.232","0.0003","21.8804","0.0004","20.1134","0.0004","90","","96.6203","0.0007","90","","5784.4","0.2","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H40 Eu F18 O10 P3 -","- C55 H40 Eu F18 O10 P3 -","- C220 H160 Eu4 F72 O40 P12 -","4","1","","Kuramochi, Yusuke; Nakagawa, Tetsuya; Yokoo, Toshiaki; Yuasa, Junpei; Kawai, Tsuyoshi; Hasegawa, Yasuchika","Eu(iii) emission band changes caused by peripheral C-H/O hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6634","6640","10.1039/c2dt30538k","","","0.71075","MoKα","","","0.0238","","","","0.0577","","","","","","1.07","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019180","17.3688","0.0001","17.3688","0.0001","13.8272","0.0002","90","","90","","90","","4171.32","0.07","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","slh0426/152a","","- C40 H28 Br6 N8 Ni -","- C40 H28 Br6 N8 Ni -","- C160 H112 Br24 N32 Ni4 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles Neé Huth, Susanne L; Devillanova, Francesco A.; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Reactivity of phosphonodithioato-dppt Ni(II) mixed ligand complexes with halogens: first example of a metal-coordinating tribromide anion.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6611","6613","10.1039/c2dt30540b","","","0.71073","MoKα","","0.0712","0.0514","","","0.1034","0.1146","","","","","","1.099","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019181","9.2767","0.0011","10.467","0.002","15.0969","0.0013","79.283","0.013","84.701","0.008","65.476","0.016","1310.2","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 N8 Ni O4 P2 S4 -","- C56 H48 N8 Ni O4 P2 S4 -","- C56 H48 N8 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles Neé Huth, Susanne L; Devillanova, Francesco A.; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Reactivity of phosphonodithioato-dppt Ni(II) mixed ligand complexes with halogens: first example of a metal-coordinating tribromide anion.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6611","6613","10.1039/c2dt30540b","","","0.71073","MoKα","","0.0573","0.0416","","","0.0918","0.0991","","","","","","1.038","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019182","13.514","","17.991","","23.478","","90","","92.44","","90","","5703.04","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H58 N10 O4 U2 -","- C68 H58 N10 O4 U2 -","- C272 H232 N40 O16 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Pan, Qing-Jiang; Schreckenbach, Georg; Love, Jason B.","Co-linear, double-uranyl coordination by an expanded Schiff-base polypyrrole macrocycle.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6595","6597","10.1039/c2dt30658a","","","0.71073","MoKα","","0.0866","0.0506","","","0.0751","0.0893","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7019183","9.9996","0.0005","13.4309","0.0012","13.3481","0.001","90","","91.331","0.005","90","","1792.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H34 Cl P -","- C15 H34 Cl P -","- C60 H136 Cl4 P4 -","4","1","","Adamová, Gabriela; Gardas, Ramesh L.; Nieuwenhuyzen, Mark; Puga, Alberto V.; Rebelo, Luís Paulo N; Robertson, Allan J.; Seddon, Kenneth R.","Alkyltributylphosphonium chloride ionic liquids: synthesis, physicochemical properties and crystal structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8316","8332","10.1039/c1dt10466g","","","1.54178","CuKα","","0.114","0.0821","","","0.2273","0.2539","","","","","","1.065","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019184","16.2112","0.0016","12.1097","0.0012","22.836","0.002","90","","106.246","0.001","90","","4304","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 Cl2 N2 P Pd -","- C47 H67 Cl2 N2 P Pd -","- C188 H268 Cl8 N8 P4 Pd4 -","4","1","","Tardiff, Bennett J.; Hesp, Kevin D.; Ferguson, Michael J.; Stradiotto, Mark","Generation of [(IPr)Pd(PR(2)Cl)] complexes via P-Cl reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7883","7885","10.1039/c1dt11910a","","","0.71073","MoKα","","0.0559","0.042","","","0.1034","0.1139","","","","","","1.019","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019185","21.4934","0.0007","13.5722","0.0005","31.6794","0.0011","90","","95.8069","0.0004","90","","9193.9","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H72 Cl N2 P Pd -","- C49.5 H72 Cl N2 P Pd -","- C396 H576 Cl8 N16 P8 Pd8 -","8","1","","Tardiff, Bennett J.; Hesp, Kevin D.; Ferguson, Michael J.; Stradiotto, Mark","Generation of [(IPr)Pd(PR(2)Cl)] complexes via P-Cl reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7883","7885","10.1039/c1dt11910a","","","0.71073","MoKα","","0.0484","0.0467","","","0.1252","0.1267","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019186","18.2945","0.0011","18.053","0.001","22.0271","0.0013","90","","96.3508","0.0007","90","","7230.3","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Cl N2 P Pd -","- C35 H54 Cl N2 P Pd -","- C280 H432 Cl8 N16 P8 Pd8 -","8","1","","Tardiff, Bennett J.; Hesp, Kevin D.; Ferguson, Michael J.; Stradiotto, Mark","Generation of [(IPr)Pd(PR(2)Cl)] complexes via P-Cl reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7883","7885","10.1039/c1dt11910a","","","0.71073","MoKα","","0.0426","0.0298","","","0.0679","0.0745","","","","","","1.029","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019187","12.3612","0.0006","21.7925","0.001","14.5546","0.0007","90","","96.217","0.001","90","","3897.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H58 Cl N2 P Pd -","- C39 H58 Cl N2 P Pd -","- C156 H232 Cl4 N8 P4 Pd4 -","4","1","","Tardiff, Bennett J.; Hesp, Kevin D.; Ferguson, Michael J.; Stradiotto, Mark","Generation of [(IPr)Pd(PR(2)Cl)] complexes via P-Cl reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7883","7885","10.1039/c1dt11910a","","","0.71073","MoKα","","0.0791","0.0426","","","0.0875","0.1023","","","","","","1.007","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019188","13.65","0.003","18.542","0.004","13.989","0.003","90","","111.879","0.004","90","","3285.6","1.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cl2 Ni P2 S2 -","- C37 H26 Cl2 Ni P2 S2 -","- C148 H104 Cl8 Ni4 P8 S8 -","4","0.5","","Hildebrand, Alexandra; Sárosi, Imola; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Sárosi, Menyhárt B; Silaghi-Dumitrescu, Ioan; Hey-Hawkins, Evamarie","Heteropolytopic phosphanylarylthiolato ligands: formation of cis isomers of nickel(ii), palladium(ii) and platinum(ii) complexes with 1-P(Biph)-2-SHC(6)H(4) (Biph = 1,1'-biphenyl-2,2'-diyl).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7729","7736","10.1039/c2dt00006g","","","0.71073","MoKα","","0.0947","0.0631","","","0.1362","0.1478","","","","","","1.116","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019189","13.7556","0.001","18.8379","0.0016","14.075","0.001","90","","112.827","0.008","90","","3361.6","0.5","208","2","208","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cl2 P2 Pd S2 -","- C37 H26 Cl2 P2 Pd S2 -","- C148 H104 Cl8 P8 Pd4 S8 -","4","0.5","","Hildebrand, Alexandra; Sárosi, Imola; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Sárosi, Menyhárt B; Silaghi-Dumitrescu, Ioan; Hey-Hawkins, Evamarie","Heteropolytopic phosphanylarylthiolato ligands: formation of cis isomers of nickel(ii), palladium(ii) and platinum(ii) complexes with 1-P(Biph)-2-SHC(6)H(4) (Biph = 1,1'-biphenyl-2,2'-diyl).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7729","7736","10.1039/c2dt00006g","","","0.71073","MoKα","","0.0307","0.0251","","","0.0654","0.0666","","","","","","1.004","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019190","13.714","0.005","18.77","0.005","13.998","0.004","90","","112.904","0.007","90","","3319.2","1.8","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cl2 P2 Pt S2 -","- C37 H26 Cl2 P2 Pt S2 -","- C148 H104 Cl8 P8 Pt4 S8 -","4","0.5","","Hildebrand, Alexandra; Sárosi, Imola; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Sárosi, Menyhárt B; Silaghi-Dumitrescu, Ioan; Hey-Hawkins, Evamarie","Heteropolytopic phosphanylarylthiolato ligands: formation of cis isomers of nickel(ii), palladium(ii) and platinum(ii) complexes with 1-P(Biph)-2-SHC(6)H(4) (Biph = 1,1'-biphenyl-2,2'-diyl).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7729","7736","10.1039/c2dt00006g","","","0.71073","MoKα","","0.0332","0.0226","","","0.043","0.045","","","","","","1.003","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019191","14.3684","0.0014","15.6461","0.0015","16.5751","0.0016","92.43","0.012","110.037","0.011","115.556","0.011","3077.6","0.7","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H42 Cl6 I3 P3 Pt3 S3 -","- C57 H42 Cl6 I3 P3 Pt3 S3 -","- C114 H84 Cl12 I6 P6 Pt6 S6 -","2","1","","Hildebrand, Alexandra; Sárosi, Imola; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Sárosi, Menyhárt B; Silaghi-Dumitrescu, Ioan; Hey-Hawkins, Evamarie","Heteropolytopic phosphanylarylthiolato ligands: formation of cis isomers of nickel(ii), palladium(ii) and platinum(ii) complexes with 1-P(Biph)-2-SHC(6)H(4) (Biph = 1,1'-biphenyl-2,2'-diyl).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7729","7736","10.1039/c2dt00006g","","","0.71073","MoKα","","0.0569","0.038","","","0.086","0.0893","","","","","","0.881","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019192","8.562","0.0012","26.689","0.004","26.774","0.004","90","","90","","90","","6118.2","1.6","148","2","148","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","CuOTf","","","- C26 H22 Cu F6 N2 O9 S2 -","- C26 H22 Cu F6 N2 O9 S2 -","- C208 H176 Cu8 F48 N16 O72 S16 -","8","1","","Dawsey, Anna C.; Li, Vincent; Hamilton, Kimberly C.; Wang, Jianmei; Williams, Travis J.","Copper-catalyzed oxidation of azolines to azoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7994","8002","10.1039/c2dt00025c","","","0.71073","MoKα","","0.1327","0.0588","","","0.121","0.1452","","","","","","1.01","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019193","10.4067","0.0013","12.5305","0.0015","12.5733","0.0016","90","","91.443","0.002","90","","1639.1","0.4","250","2","250","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H34 Cu F6 N2 O9 S2 -","- C24 H34 Cu F6 N2 O9 S2 -","- C48 H68 Cu2 F12 N4 O18 S4 -","2","1","","Dawsey, Anna C.; Li, Vincent; Hamilton, Kimberly C.; Wang, Jianmei; Williams, Travis J.","Copper-catalyzed oxidation of azolines to azoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7994","8002","10.1039/c2dt00025c","","","0.71073","MoKα","","0.0609","0.0453","","","0.0983","0.1051","","","","","","1.038","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019194","11.5194","0.0007","12.7582","0.0008","16.2521","0.001","85.882","0.003","84.414","0.003","76.135","0.003","2305","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H60 N4 Nb P3 -","- C49 H60 N4 Nb P3 -","- C98 H120 N8 Nb2 P6 -","2","1","","Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.","Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8111","8115","10.1039/c2dt00034b","","","0.71073","MoKα","","0.0437","0.0317","","0.0733","0.0683","0.0733","","","","","","0.9839","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019195","13.1155","0.0004","18.2831","0.0006","25.2678","0.0008","90","","95.274","0.002","90","","6033.4","0.3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H76 Co I N4 Nb P3 -","- C63 H76 Co I N4 Nb P3 -","- C252 H304 Co4 I4 N16 Nb4 P12 -","4","1","","Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.","Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8111","8115","10.1039/c2dt00034b","","","0.71073","MoKα","","0.0568","0.0398","","0.0992","0.0893","0.0992","","","","","","1.0078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019196","13.14","0.0006","18.2564","0.0007","25.2782","0.0011","90","","95.27","0.002","90","","6038.3","0.4","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H76 Co I N4 P3 Ta -","- C63 H76 Co I N4 P3 Ta -","- C252 H304 Co4 I4 N16 P12 Ta4 -","4","1","","Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.","Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8111","8115","10.1039/c2dt00034b","","","0.71073","MoKα","","0.0316","0.0248","","0.0635","0.0558","0.0635","","","","","","1.0001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019197","12.8515","0.0004","12.9728","0.0005","13.2306","0.0004","91.9","0.002","117.275","0.002","112.938","0.002","1744.07","0.12","120","","120","","","","","","","","","8","P 1","P 1","1","","","","- C69 H100 Co N6 Na Nb O5 P3 -","- C69 H100 Co N6 Na Nb O5 P3 -","- C69 H100 Co N6 Na Nb O5 P3 -","1","1","","Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.","Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8111","8115","10.1039/c2dt00034b","","","0.71073","MoKα","","0.0416","0.0347","","0.0884","0.0804","0.0884","","","","","","0.9935","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019198","12.8488","0.0003","12.9768","0.0003","13.2265","0.0003","91.961","0.001","117.278","0.001","112.849","0.001","1744.62","0.08","120","","120","","","","","","","","","8","P 1","P 1","1","","","","- C69 H100 Co N6 Na O5 P3 Ta -","- C69 H100 Co N6 Na O5 P3 Ta -","- C69 H100 Co N6 Na O5 P3 Ta -","1","1","","Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.","Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8111","8115","10.1039/c2dt00034b","","","0.71073","MoKα","","0.0341","0.0324","","0.0723","0.0714","0.0723","","","","","","0.9713","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019199","8.7856","0.0002","10.2316","0.0002","8.5553","0.0001","90","","97.107","0.001","90","","763.13","0.02","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Mg N O5 -","- C7 H5 Mg N O5 -","- C28 H20 Mg4 N4 O20 -","4","1","","Saha, Debraj; Sen, Rupam; Maity, Tanmoy; Koner, Subratanath","Porous magnesium carboxylate framework: synthesis, X-ray crystal structure, gas adsorption property and heterogeneous catalytic aldol condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7399","7408","10.1039/c2dt00057a","","","0.71073","MoKα","","0.0313","0.0285","","","0.0814","0.0842","","","","","","1.097","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019200","13.1978","0.0011","13.1978","0.0011","25.081","0.003","90","","90","","120","","3783.4","0.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H68 Br2 N12 O22 Rh6 -","- C24 H48 Br2 N12 O22 Rh6 -","- C72 H144 Br6 N36 O66 Rh18 -","3","0.166667","","Fuma, Yasuhiro; Miyashita, Osamu; Kawamura, Takashi; Ebihara, Masahiro","Change of electrical conductivities between hydrated and dehydrated samples of honeycomb sheet structures with mixed oxidation state paddlewheel dirhodium complexes and halide ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8242","8251","10.1039/c2dt11609j","","","0.71069","MoKα","","0.058","0.0455","","","0.0699","0.0726","","","","","","1.242","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019201","13.4834","0.0013","13.4834","0.0013","24.801","0.004","90","","90","","120","","3904.8","0.8","118","2","118","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H68 I2 N12 O22 Rh6 -","- C24 H48 I2 N12 O22 Rh6 -","- C72 H144 I6 N36 O66 Rh18 -","3","0.166667","","Fuma, Yasuhiro; Miyashita, Osamu; Kawamura, Takashi; Ebihara, Masahiro","Change of electrical conductivities between hydrated and dehydrated samples of honeycomb sheet structures with mixed oxidation state paddlewheel dirhodium complexes and halide ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8242","8251","10.1039/c2dt11609j","","","0.71069","MoKα","","0.0826","0.053","","","0.0862","0.0924","","","","","","1.2","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019202","11.474","0.003","12.67","0.004","12.966","0.003","117.033","0.009","92.94","0.01","114.824","0.009","1453.9","0.7","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H84 Cl2 N12 O18 Rh6 -","- C36 H84 Cl2 N12 O18 Rh6 -","- C36 H84 Cl2 N12 O18 Rh6 -","1","0.5","","Fuma, Yasuhiro; Miyashita, Osamu; Kawamura, Takashi; Ebihara, Masahiro","Change of electrical conductivities between hydrated and dehydrated samples of honeycomb sheet structures with mixed oxidation state paddlewheel dirhodium complexes and halide ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8242","8251","10.1039/c2dt11609j","","","0.71069","MoKα","","0.0475","0.0312","","","0.0518","0.0554","","","","","","1.055","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019203","11.446","0.003","12.754","0.004","13.172","0.004","117.15","0.01","93.74","0.02","113.69","0.01","1492.1","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H84 Br2 N12 O18 Rh6 -","- C36 H84 Br2 N12 O18 Rh6 -","- C36 H84 Br2 N12 O18 Rh6 -","1","0.5","","Fuma, Yasuhiro; Miyashita, Osamu; Kawamura, Takashi; Ebihara, Masahiro","Change of electrical conductivities between hydrated and dehydrated samples of honeycomb sheet structures with mixed oxidation state paddlewheel dirhodium complexes and halide ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8242","8251","10.1039/c2dt11609j","","","0.71069","MoKα","","0.0688","0.0505","","","0.073","0.0773","","","","","","1.139","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019204","11.272","0.002","12.031","0.002","13.355","0.002","114.544","0.004","97.115","0.004","109.39","0.003","1479.9","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H42 I N6 O9 Rh3 -","- C18 H40 I N6 O9 Rh3 -","- C36 H80 I2 N12 O18 Rh6 -","2","1","","Fuma, Yasuhiro; Miyashita, Osamu; Kawamura, Takashi; Ebihara, Masahiro","Change of electrical conductivities between hydrated and dehydrated samples of honeycomb sheet structures with mixed oxidation state paddlewheel dirhodium complexes and halide ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8242","8251","10.1039/c2dt11609j","","","0.7107","MoKα","","0.0998","0.0641","","","0.0824","0.091","","","","","","1.137","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019205","7.3757","0.0015","6.7764","0.0014","8.5456","0.0017","90","","114.26","0.03","90","","389.4","0.16","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 Mo N2 O6 -","- C3 H6 Mo N2 O6 -","- C6 H12 Mo2 N4 O12 -","2","0.5","","Herbert, Matthew; Montilla, Francisco; Alvarez, Eleuterio; Galindo, Agustín","New insights into the mechanism of oxodiperoxomolybdenum catalysed olefin epoxidation and the crystal structures of several oxo-peroxo molybdenum complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6942","6956","10.1039/c2dt12284g","","","0.71073","MoKα","","0.0147","0.0143","","","0.0393","0.0398","","","","","","1.227","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019206","21.4186","0.001","11.9572","0.0006","23.9117","0.0011","90","","101.864","0.001","90","","5993.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H56 Mo8 N12 O32 -","- C30 H56 Mo8 N12 O32 -","- C120 H224 Mo32 N48 O128 -","4","0.5","","Herbert, Matthew; Montilla, Francisco; Alvarez, Eleuterio; Galindo, Agustín","New insights into the mechanism of oxodiperoxomolybdenum catalysed olefin epoxidation and the crystal structures of several oxo-peroxo molybdenum complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6942","6956","10.1039/c2dt12284g","","","0.71073","MoKα","","0.1241","0.0595","","","0.1517","0.2055","","","","","","1.034","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019207","14.6235","0.0014","15.2468","0.0014","20.768","0.0014","74.516","0.007","73.579","0.007","64.036","0.009","3937.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H224 O52 Ti14 -","- C107.8 H211.4 O52 Ti14 -","- C107.8 H211.4 O52 Ti14 -","1","0.5","","Piszczek, P.; Radtke, A.; Muzioł, T; Richert, M.; Chojnacki, J.","The conversion of multinuclear μ-oxo titanium(iv) species in the reaction of Ti(O(i)Bu)(4) with branched organic acids; results of structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8261","8269","10.1039/c2dt12338j","","x-ray","0.71073","MoKα","","0.1353","0.0772","","","0.2192","0.2572","","","","","","1.07","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019208","12.4911","0.0011","14.2921","0.001","14.4154","0.0012","103.681","0.006","112.595","0.008","107.336","0.007","2080.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H120 O24 Ti6 -","- C56.3 H108.8 O24 Ti6 -","- C56.3 H108.8 O24 Ti6 -","1","0.5","","Piszczek, P.; Radtke, A.; Muzioł, T; Richert, M.; Chojnacki, J.","The conversion of multinuclear μ-oxo titanium(iv) species in the reaction of Ti(O(i)Bu)(4) with branched organic acids; results of structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8261","8269","10.1039/c2dt12338j","","x-ray","0.71073","MoKα","","0.1498","0.0871","","","0.2457","0.2831","","","","","","0.935","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019209","25.421","0.005","14.31","0.003","27.301","0.006","90","","116.13","0.03","90","","8916","4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C64 H126 O27 Ti6 -","- C60.2 H112.2 O27 Ti6 -","- C240.8 H448.8 O108 Ti24 -","4","1","","Piszczek, P.; Radtke, A.; Muzioł, T; Richert, M.; Chojnacki, J.","The conversion of multinuclear μ-oxo titanium(iv) species in the reaction of Ti(O(i)Bu)(4) with branched organic acids; results of structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8261","8269","10.1039/c2dt12338j","","x-ray","0.71073","MoKα","","0.1234","0.096","","","0.2491","0.2746","","","","","","1.032","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019210","12.05","0.002","13.898","0.003","14.06","0.003","106.04","0.03","110","0.03","105.33","0.03","1951.4","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H112 O26 Ti6 -","- C54 H106 O26 Ti6 -","- C54 H106 O26 Ti6 -","1","0.5","","Piszczek, P.; Radtke, A.; Muzioł, T; Richert, M.; Chojnacki, J.","The conversion of multinuclear μ-oxo titanium(iv) species in the reaction of Ti(O(i)Bu)(4) with branched organic acids; results of structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8261","8269","10.1039/c2dt12338j","","x-ray","0.71073","MoKα","","0.1672","0.1172","","","0.3079","0.347","","","","","","1.08","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019211","5.1545","0.001","13.94","0.003","9.1871","0.0018","90","","98.45","0.03","90","","653","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Mg N4 O8 -","- C8 H14 Mg N4 O8 -","- C16 H28 Mg2 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8354","8360","10.1039/c2dt12353c","","","0.71073","MoKα","","0.0409","0.0347","","","0.0844","0.0936","","","","","","1.038","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019212","14.347","0.003","14.902","0.003","12.099","0.002","90","","90","","90","","2586.8","0.9","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C8 H14 Ca N4 O8 -","- C8 H14 Ca N4 O8 -","- C64 H112 Ca8 N32 O64 -","8","1","","Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8354","8360","10.1039/c2dt12353c","","","0.71073","MoKα","","0.0465","0.0395","","","0.0994","0.1038","","","","","","1.047","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019213","12.169","0.002","14.549","0.003","15.315","0.003","90","","90","","90","","2711.5","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 N4 O8 Sr -","- C8 H14 N4 O8 Sr -","- C64 H112 N32 O64 Sr8 -","8","1","","Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8354","8360","10.1039/c2dt12353c","","","0.71073","MoKα","","0.067","0.045","","","0.0801","0.0904","","","","","","1.1","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019214","9.5261","0.0006","15.77","0.0009","4.3128","0.0002","90","","97.767","0.002","90","","641.95","0.06","295","2","295","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C8 H12 Ba N4 O7 -","- C8 H12 Ba N4 O7 -","- C16 H24 Ba2 N8 O14 -","2","0.5","","Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8354","8360","10.1039/c2dt12353c","","","0.71073","MoKα","","0.0213","0.0207","","","0.0486","0.0597","","","","","","1.091","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019215","6.79","0.005","15.749","0.01","12.449","0.008","90","","92.396","0.013","90","","1330.1","1.6","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 Mo N3 O4 -","- C12 H7 Mo N3 O4 -","- C48 H28 Mo4 N12 O16 -","4","0.5","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.","Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7017","7025","10.1039/c2dt12388f","","","0.71073","MoKα","","0.1259","0.0637","","","0.119","0.148","","","","","","1.008","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019216","29.917","0.018","7.033","0.004","18.237","0.011","90","","121.47","0.009","90","","3273","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H15 Br Mo N3 O2.5 -","- C14.5 H15 Br Mo N3 O2.5 -","- C116 H120 Br8 Mo8 N24 O20 -","8","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.","Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7017","7025","10.1039/c2dt12388f","","","0.71073","MoKα","","0.0248","0.021","","","0.0497","0.0509","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019217","8.104","0.003","10.941","0.004","12.147","0.004","80.805","0.005","72.521","0.004","82.904","0.005","1010.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl Mo N3 O3 -","- C18 H22 Cl Mo N3 O3 -","- C36 H44 Cl2 Mo2 N6 O6 -","2","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.","Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7017","7025","10.1039/c2dt12388f","","","0.71073","MoKα","","0.0263","0.0235","","","0.0597","0.0618","","","","","","1.078","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019218","8.875","0.007","10.711","0.004","11.668","0.008","78.737","0.018","81.722","0.019","78.658","0.018","1060.1","1.2","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 I2 N3 O4 W -","- C15 H15 I2 N3 O4 W -","- C30 H30 I4 N6 O8 W2 -","2","1","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.","Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7017","7025","10.1039/c2dt12388f","","","0.71073","MoKα","","0.0467","0.0399","","","0.1047","0.1108","","","","","","1.022","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019219","18.316","0.01","18.316","0.009","42.269","0.01","90","","90","","120","","12280","9","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H22 Mo2 N6 O4 -","- C26 H22 Mo2 N6 O4 -","- C468 H396 Mo36 N108 O72 -","18","0.5","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.","Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7017","7025","10.1039/c2dt12388f","","","0.71073","MoKα","","0.0983","0.0573","","","0.1658","0.191","","","","","","1.14","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019220","30.973","0.012","13.498","0.005","15.162","0.006","90","","101.442","0.008","90","","6213","4","299","2","299","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28.5 H27 Cl Mo2 N6 O4 -","- C28.5 H27 Cl Mo2 N6 O4 -","- C228 H216 Cl8 Mo16 N48 O32 -","8","2","","Arroyo, Marta; Miguel, Daniel; Villafañe, Fernando; Alegria, Elisabete C. B.; Pombeiro, Armando J. L.","Molybdenum- and tungsten(ii) monometallic 3-(2-pyridyl)pyrazole and bimetallic 3-(2-pyridyl)pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7017","7025","10.1039/c2dt12388f","","","0.71073","MoKα","","0.0873","0.0536","","","0.1184","0.1388","","","","","","0.954","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019221","9.0373","0.0007","24.765","0.003","9.4818","0.0007","90","","91.889","0.006","90","","2121","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl2 N12 O4 Pt -","- C40 H52 Cl2 N12 O4 Pt -","- C80 H104 Cl4 N24 O8 Pt2 -","2","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Wang, Qian; Karasik, Andrey A.; Haukka, Matti; Starova, Galina L.; Kukushkin, Vadim Yu","Lasagna-type arrays with halide-nitromethane cluster filling. The first recognition of the Hal(-)HCH(2)NO(2) (Hal = Cl, Br, I) hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6922","6931","10.1039/c2dt12394k","","","0.71073","MoKα","","0.0467","0.0247","","","0.0509","0.0568","","","","","","1.079","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019222","9.1865","0.0003","24.935","0.0008","9.5497","0.0003","90","","90.84","0.001","90","","2187.27","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Br2 N12 O4 Pt -","- C40 H52 Br2 N12 O4 Pt -","- C80 H104 Br4 N24 O8 Pt2 -","2","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Wang, Qian; Karasik, Andrey A.; Haukka, Matti; Starova, Galina L.; Kukushkin, Vadim Yu","Lasagna-type arrays with halide-nitromethane cluster filling. The first recognition of the Hal(-)HCH(2)NO(2) (Hal = Cl, Br, I) hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6922","6931","10.1039/c2dt12394k","","","0.71073","MoKα","","0.0482","0.0316","","","0.0613","0.0653","","","","","","1.035","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019223","9.3488","0.0002","25.14","0.0005","9.603","0.0002","90","","91.413","0.001","90","","2256.3","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 I2 N12 O4 Pt -","- C40 H52 I2 N12 O4 Pt -","- C80 H104 I4 N24 O8 Pt2 -","2","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Wang, Qian; Karasik, Andrey A.; Haukka, Matti; Starova, Galina L.; Kukushkin, Vadim Yu","Lasagna-type arrays with halide-nitromethane cluster filling. The first recognition of the Hal(-)HCH(2)NO(2) (Hal = Cl, Br, I) hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6922","6931","10.1039/c2dt12394k","","","0.71073","MoKα","","0.0485","0.0322","","","0.056","0.06","","","","","","1.025","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019224","8.972","0.0002","24.492","0.0008","9.5415","0.0003","90","","92.127","0.002","90","","2095.23","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cl2 N12 O6 Pt -","- C38 H48 Cl2 N12 O6 Pt -","- C76 H96 Cl4 N24 O12 Pt2 -","2","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Wang, Qian; Karasik, Andrey A.; Haukka, Matti; Starova, Galina L.; Kukushkin, Vadim Yu","Lasagna-type arrays with halide-nitromethane cluster filling. The first recognition of the Hal(-)HCH(2)NO(2) (Hal = Cl, Br, I) hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6922","6931","10.1039/c2dt12394k","","","0.71073","MoKα","","0.0652","0.0328","","","0.0619","0.0696","","","","","","1.049","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019225","13.607","0.002","24.405","0.004","16.845","0.003","90","","91.232","0.003","90","","5592.6","1.6","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Cl N Ni O P2 -","- C14 H26 Cl N Ni O P2 -","- C168 H312 Cl12 N12 Ni12 O12 P24 -","12","3","","Li, Junye; Wang, Chenggen; Li, Xiaoyan; Sun, Hongjian","C-Cl bond activation of ortho-chlorinated benzamides by nickel and cobalt compounds supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8715","8722","10.1039/c2dt12395a","","","0.71073","MoKα","","0.099","0.0628","","","0.1583","0.1807","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019226","9.604","0.0019","19.709","0.004","22.573","0.005","90","","90","","90","","4272.7","1.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H32 Cl N Ni O P2 -","- C17 H32 Cl N Ni O P2 -","- C136 H256 Cl8 N8 Ni8 O8 P16 -","8","1","","Li, Junye; Wang, Chenggen; Li, Xiaoyan; Sun, Hongjian","C-Cl bond activation of ortho-chlorinated benzamides by nickel and cobalt compounds supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8715","8722","10.1039/c2dt12395a","","","0.71073","MoKα","","0.061","0.0515","","","0.129","0.1342","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019227","16.4434","0.0011","9.109","0.0006","18.6041","0.0013","90","","108.446","0.001","90","","2643.4","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 Cl Co N O P3 -","- C20 H41 Cl Co N O P3 -","- C80 H164 Cl4 Co4 N4 O4 P12 -","4","1","","Li, Junye; Wang, Chenggen; Li, Xiaoyan; Sun, Hongjian","C-Cl bond activation of ortho-chlorinated benzamides by nickel and cobalt compounds supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8715","8722","10.1039/c2dt12395a","","","0.71073","MoKα","","0.0804","0.0475","","","0.1143","0.1318","","","","","","1.015","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019228","10.99","0.002","14.336","0.003","19.78","0.004","90","","93.9","0.03","90","","3109.2","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cl Co N2 O2 P2 -","- C32 H36 Cl Co N2 O2 P2 -","- C128 H144 Cl4 Co4 N8 O8 P8 -","4","1","","Li, Junye; Wang, Chenggen; Li, Xiaoyan; Sun, Hongjian","C-Cl bond activation of ortho-chlorinated benzamides by nickel and cobalt compounds supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8715","8722","10.1039/c2dt12395a","","","0.71073","MoKα","","0.0383","0.0338","","","0.0892","0.0945","","","","","","1.085","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019229","13.506","0.003","14.564","0.003","12.115","0.002","90","","106.8","0.03","90","","2281.3","0.9","423","2","423","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl N Ni O P2 -","- C20 H30 Cl N Ni O P2 -","- C80 H120 Cl4 N4 Ni4 O4 P8 -","4","1","","Li, Junye; Wang, Chenggen; Li, Xiaoyan; Sun, Hongjian","C-Cl bond activation of ortho-chlorinated benzamides by nickel and cobalt compounds supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8715","8722","10.1039/c2dt12395a","","","0.71073","MoKα","","0.0517","0.0424","","","0.1107","0.1174","","","","","","0.825","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019230","9.9389","0.0006","28.7709","0.0017","11.8115","0.0007","90","","98.132","0.001","90","","3343.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl Co N2 O2 P2 -","- C34 H40 Cl Co N2 O2 P2 -","- C136 H160 Cl4 Co4 N8 O8 P8 -","4","1","","Li, Junye; Wang, Chenggen; Li, Xiaoyan; Sun, Hongjian","C-Cl bond activation of ortho-chlorinated benzamides by nickel and cobalt compounds supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8715","8722","10.1039/c2dt12395a","","","0.71073","MoKα","","0.0897","0.0675","","","0.1945","0.2143","","","","","","1.042","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019231","13.5534","0.0012","20.363","0.0017","18.6891","0.0016","90","","98.394","0.01","90","","5102.7","0.8","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H66 Cl6 K2 O13 Pt2 -","- C35 H66 Cl6 K2 O13 Pt2 -","- C140 H264 Cl24 K8 O52 Pt8 -","4","1","","König, Anja; Wagner, Christoph; Bette, Martin; Steinborn, Dirk","On the isomerization of cyclooctyne into cycloocta-1,3-diene: synthesis, characterization and structure of a dinuclear platinum(ii) complex with a μ-η(2):η(2)-1,3-COD ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7156","7162","10.1039/c2dt12405j","","","0.71073","MoKα","","0.0665","0.0349","","","0.0622","0.069","","","","","","0.887","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019232","20.815","0.003","15.326","0.003","16.421","0.003","90","","100.713","0.007","90","","5147.2","1.6","223","","223","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Br2 Cl2 Mg N3 -","- C25 H23 Br2 Cl2 Mg N3 -","- C200 H184 Br16 Cl16 Mg8 N24 -","8","1","","Guard, Louise M.; Palma, Julio L.; Stratton, William P.; Allen, Laura J.; Brudvig, Gary W.; Crabtree, Robert H.; Batista, Victor S.; Hazari, Nilay","Synthesis and computational studies of Mg complexes supported by 2,2':6,2''-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8098","8110","10.1039/c2dt12426b","","","0.71075","MoKα","","","0.0613","","","","0.139","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019233","12.5029","0.002","12.5029","0.002","15.991","0.003","90","","90","","120","","2164.8","0.6","223","","223","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C27 H35 Br2 Mg N3 -","- C27 H35 Br2 Mg N3 -","- C81 H105 Br6 Mg3 N9 -","3","0.5","","Guard, Louise M.; Palma, Julio L.; Stratton, William P.; Allen, Laura J.; Brudvig, Gary W.; Crabtree, Robert H.; Batista, Victor S.; Hazari, Nilay","Synthesis and computational studies of Mg complexes supported by 2,2':6,2''-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8098","8110","10.1039/c2dt12426b","","","0.71075","MoKα","","","0.0424","","","","0.0931","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019234","8.931","0.005","16.763","0.009","18.452","0.01","90","","91.83","0.005","90","","2761","3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C11 H16 Ag B11 Cl11 F O -","- C11 H16 Ag B11 Cl11 F O -","- C44 H64 Ag4 B44 Cl44 F4 O4 -","4","1","","Ramírez-Contreras, Rodrigo; Ozerov, Oleg V.","Convenient C-alkylation of the [HCB(11)Cl(11)](-) carborane anion.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7842","7844","10.1039/c2dt12431a","","","0.71073","MoKα","","0.0233","0.0225","","","0.0561","0.0566","","","","","","1.03","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019235","9.1993","0.0004","14.0954","0.0006","22.3766","0.0007","97.93","0.003","101.255","0.003","106.142","0.003","2676","0.2","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H75 B2 N13 U -","- C54 H75 B2 N13 U -","- C108 H150 B4 N26 U2 -","2","1","","Matson, Ellen M.; Crestani, Marco G.; Fanwick, Phillip E.; Bart, Suzanne C.","Synthesis of U(iv) imidos from Tp*(2)U(CH(2)Ph) (Tp* = hydrotris(3,5-dimethylpyrazolyl)borate) by extrusion of bibenzyl.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7952","7958","10.1039/c2dt12439d","","","1.54184","CU-Kα","","0.036","0.036","","","0.096","0.096","","","","","","1.064","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7019236","15.3252","0.0005","14.1075","0.0004","19.9873","0.0004","90","","106.487","0.002","90","","4143.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 B2 N13 U -","- C39 H55 B2 N13 U -","- C156 H220 B8 N52 U4 -","4","1","","Matson, Ellen M.; Crestani, Marco G.; Fanwick, Phillip E.; Bart, Suzanne C.","Synthesis of U(iv) imidos from Tp*(2)U(CH(2)Ph) (Tp* = hydrotris(3,5-dimethylpyrazolyl)borate) by extrusion of bibenzyl.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7952","7958","10.1039/c2dt12439d","","","1.54184","CU-Kα","","0.03","0.03","","","0.081","0.082","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019237","13.497","0.002","14.048","0.002","16.37","0.003","65.572","0.009","89.168","0.007","62.936","0.008","2458.2","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H36 F12 N10 O3 P2 Ru -","- C39 H36 F12 N10 O3 P2 Ru -","- C78 H72 F24 N20 O6 P4 Ru2 -","2","1","","Baker, Naomi C. A.; Fletcher, Nicholas C.; Horton, Peter N.; Hursthouse, Michael B.","Ruthenium cryptates with an unusual selectivity for nitrate.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7005","7012","10.1039/c2dt12446g","","","0.71073","MoKα","","0.2123","0.1316","","","0.2851","0.3252","","","","","","1.042","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019238","12.9778","0.0008","15.1648","0.0011","18.1787","0.0014","101.915","0.003","98.313","0.004","92.738","0.004","3452.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Br2 N12 O9 Ru -","- C48 H48 Br2 N12 O9 Ru -","- C96 H96 Br4 N24 O18 Ru2 -","2","1","","Baker, Naomi C. A.; Fletcher, Nicholas C.; Horton, Peter N.; Hursthouse, Michael B.","Ruthenium cryptates with an unusual selectivity for nitrate.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7005","7012","10.1039/c2dt12446g","","","0.71073","MoKα","","0.1336","0.0958","","","0.2304","0.2493","","","","","","1.065","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019239","8.4968","0.001","13.2926","0.0016","24.819","0.003","90","","90","","90","","2803.2","0.6","185","2","185","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cl3 N0 O2 Ti -","- C31 H29 Cl3 O2 Ti -","- C124 H116 Cl12 O8 Ti4 -","4","1","","Wang, Li; Wu, Qiaolin; Xu, Hao; Mu, Ying","Synthesis and structures of (R)-cyclopentadienyl-binaphthoxy titanium(iv) complexes and catalytic properties for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7350","7357","10.1039/c2dt12471h","","","0.71073","MoKα","","0.1458","0.0727","","","0.0934","0.1115","","","","","","0.986","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019240","12.1649","0.0004","12.1649","0.0004","24.8696","0.0017","90","","90","","90","","3680.3","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C38 H34 Br4 O2 Ti2 -","- C38 H34 Br4 O2 Ti2 -","- C152 H136 Br16 O8 Ti8 -","4","0.5","","Wang, Li; Wu, Qiaolin; Xu, Hao; Mu, Ying","Synthesis and structures of (R)-cyclopentadienyl-binaphthoxy titanium(iv) complexes and catalytic properties for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7350","7357","10.1039/c2dt12471h","","","0.71073","MoKα","","0.0676","0.0436","","","0.0772","0.0843","","","","","","1.018","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019241","14.4117","0.0006","15.2587","0.0006","23.3763","0.001","90","","90","","90","","5140.5","0.4","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br2 O2 Ti -","- C29 H24 Br2 O2 Ti -","- C232 H192 Br16 O16 Ti8 -","8","2","","Wang, Li; Wu, Qiaolin; Xu, Hao; Mu, Ying","Synthesis and structures of (R)-cyclopentadienyl-binaphthoxy titanium(iv) complexes and catalytic properties for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7350","7357","10.1039/c2dt12471h","","","0.71073","MoKα","","0.058","0.0377","","","0.072","0.0774","","","","","","0.95","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019242","12.9263","0.0002","14.5326","0.0002","14.8331","0.0003","112.587","0.001","103.521","0.001","108.77","0.001","2223.03","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H45 N3 P2 -","- C46 H45 N3 P2 -","- C92 H90 N6 P4 -","2","1","","Johnson, Kevin R. D.; Hannon, Matt A.; Ritch, Jamie S.; Hayes, Paul G.","Thermally stable rare earth dialkyl complexes supported by a novel bis(phosphinimine)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7873","7875","10.1039/c2dt12485h","","","0.71073","MoKα","","0.095","0.0709","","","0.1723","0.1821","","","","","","1.045","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019243","9.729","0.005","12.188","0.006","24.287","0.011","84.796","0.005","78.92","0.005","69.55","0.005","2647","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H66 Er N3 P2 Si2 -","- C54 H66 Er N3 P2 Si2 -","- C108 H132 Er2 N6 P4 Si4 -","2","1","","Johnson, Kevin R. D.; Hannon, Matt A.; Ritch, Jamie S.; Hayes, Paul G.","Thermally stable rare earth dialkyl complexes supported by a novel bis(phosphinimine)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7873","7875","10.1039/c2dt12485h","","","0.71073","MoKα","","0.0484","0.0365","","","0.0818","0.0868","","","","","","1.022","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019244","9.7163","0.0006","12.1266","0.0007","24.2569","0.0014","84.953","0.001","78.922","0.001","69.464","0.001","2625.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H66 Lu N3 P2 Si2 -","- C54 H66 Lu N3 P2 Si2 -","- C108 H132 Lu2 N6 P4 Si4 -","2","1","","Johnson, Kevin R. D.; Hannon, Matt A.; Ritch, Jamie S.; Hayes, Paul G.","Thermally stable rare earth dialkyl complexes supported by a novel bis(phosphinimine)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7873","7875","10.1039/c2dt12485h","","","0.71073","MoKα","","0.0346","0.03","","","0.0721","0.0746","","","","","","1.023","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019245","5.4867","0.0013","11.059","0.003","21.565","0.005","81.946","0.007","84.414","0.008","82.446","0.007","1280.2","0.5","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H37 F2 N O2 Pt -","- C28 H37 F2 N O2 Pt -","- C56 H74 F4 N2 O4 Pt2 -","2","1","","Sato, Takeshi; Awano, Hiroshi; Haba, Osamu; Katagiri, Hiroshi; Pu, Yong-Jin; Takahashi, Tatsuhiro; Yonetake, Koichiro","Synthesis, characterization, and polarized luminescence properties of platinum(ii) complexes having a rod-like ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8379","8389","10.1039/c2dt30071k","","","0.71075","MoKα","","0.0378","0.0315","","","0.0621","0.0653","","","","","","1.067","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019246","6.9676","0.0003","17.4113","0.0008","18.6278","0.0009","90","","90","","90","","2259.83","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H28 Cu2 N6 O17 S2 -","- C8 H28 Cu2 N6 O17 S2 -","- C32 H112 Cu8 N24 O68 S8 -","4","1","","Murdock, Christopher R.; Lu, Zheng; Jenkins, David M.","Utilizing a copper MOF as a reagent in a solvent mediated reaction to form a topologically distinct MOF.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7839","7841","10.1039/c2dt30078h","","","0.71073","MoKα","","0.0297","0.0269","","","0.0674","0.0692","","","","","","1.043","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019247","24.569","0.004","14.682","0.002","22.399","0.003","90","","90","","90","","8080","2","278","2","278","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H30 Cu6 N18 O28 S5 -","- C24 H30 Cu6 N18 O28 S5 -","- C96 H120 Cu24 N72 O112 S20 -","4","0.5","","Murdock, Christopher R.; Lu, Zheng; Jenkins, David M.","Utilizing a copper MOF as a reagent in a solvent mediated reaction to form a topologically distinct MOF.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7839","7841","10.1039/c2dt30078h","","","0.71073","MoKα","","0.1204","0.0997","","","0.2924","0.3151","","","","","","1.232","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019248","8.683","0.002","19.888","0.006","23.197","0.006","90","","90","","90","","4005.8","1.8","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 B N4 O4 Si2 Y -","- C31 H58 B N4 O4 Si2 Y -","- C124 H232 B4 N16 O16 Si8 Y4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Tu, Jing; Zhang, Yong; Shen, Qi","Syntheses and structures of lanthanide borohydrides supported by a bridged bis(amidinate) ligand and their high activity for controlled polymerization of ε-caprolactone, l-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7258","7265","10.1039/c2dt30096f","","","0.71075","MoKα","","0.0885","0.0551","","","0.0996","0.113","","","","","","0.843","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019249","8.7384","0.0007","20.0777","0.0019","23.162","0.002","90","","90","","90","","4063.7","0.6","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 B N4 Nd O4 Si2 -","- C31 H58 B N4 Nd O4 Si2 -","- C124 H232 B4 N16 Nd4 O16 Si8 -","4","1","","Li, Wenbo; Xue, Mingqiang; Tu, Jing; Zhang, Yong; Shen, Qi","Syntheses and structures of lanthanide borohydrides supported by a bridged bis(amidinate) ligand and their high activity for controlled polymerization of ε-caprolactone, l-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7258","7265","10.1039/c2dt30096f","","","0.71075","MoKα","","0.1293","0.0861","","","0.1389","0.1632","","","","","","1.067","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019250","8.697","0.0005","19.9369","0.0011","23.1964","0.0013","90","","90","","90","","4022.1","0.4","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 B N4 O4 Si2 Sm -","- C31 H58 B N4 O4 Si2 Sm -","- C124 H232 B4 N16 O16 Si8 Sm4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Tu, Jing; Zhang, Yong; Shen, Qi","Syntheses and structures of lanthanide borohydrides supported by a bridged bis(amidinate) ligand and their high activity for controlled polymerization of ε-caprolactone, l-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7258","7265","10.1039/c2dt30096f","","","0.71075","MoKα","","0.0497","0.0459","","","0.1105","0.1133","","","","","","1.093","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019251","8.6469","0.0012","19.79","0.003","23.214","0.003","90","","90","","90","","3972.4","1","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 B N4 O4 Si2 Yb -","- C31 H58 B N4 O4 Si2 Yb -","- C124 H232 B4 N16 O16 Si8 Yb4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Tu, Jing; Zhang, Yong; Shen, Qi","Syntheses and structures of lanthanide borohydrides supported by a bridged bis(amidinate) ligand and their high activity for controlled polymerization of ε-caprolactone, l-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7258","7265","10.1039/c2dt30096f","","","0.71075","MoKα","","0.0521","0.0421","","","0.0776","0.0823","","","","","","0.957","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019252","14.0041","0.0007","11.7778","0.0006","34.924","0.0018","90","","91.959","0.003","90","","5756.9","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 N4 -","- C39 H30 N4 -","- C312 H240 N32 -","8","1","","Scepaniak, Jeremiah J.; Wu, Guang; Hayton, Trevor W.","Complexes of Cu(i) supported by a tris(ketimine) tripod.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7859","7861","10.1039/c2dt30101f","","","0.71073","MoKα","","0.0568","0.0403","","","0.0702","0.0747","","","","","","1.099","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019253","9.8","0.003","13.95","0.004","14.453","0.004","101.02","0.009","97.408","0.009","94.634","0.011","1911.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[N(ArCNHPh)3Cu][CuCl]","","","- C46 H38 Cl2 Cu2 N4 -","- C46 H38 Cl2 Cu2 N4 -","- C92 H76 Cl4 Cu4 N8 -","2","1","","Scepaniak, Jeremiah J.; Wu, Guang; Hayton, Trevor W.","Complexes of Cu(i) supported by a tris(ketimine) tripod.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7859","7861","10.1039/c2dt30101f","","","0.71073","MoKα","","0.028","0.0256","","","0.0709","0.0729","","","","","","1.026","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019254","16.9356","0.0008","16.9356","0.0008","17.9643","0.0008","90","","90","","120","","4462.1","0.4","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","[N(ArCNHPh)3Cu]2[CuI3]","","","- C92 H81 Cu3 I3 N15 -","- C92 H81.06 Cu3 I3 N15 -","- C184 H162.12 Cu6 I6 N30 -","2","0.166667","","Scepaniak, Jeremiah J.; Wu, Guang; Hayton, Trevor W.","Complexes of Cu(i) supported by a tris(ketimine) tripod.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7859","7861","10.1039/c2dt30101f","","","0.71073","MoKα","","0.0606","0.0363","","","0.0884","0.0997","","","","","","1.02","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019255","18.3059","0.0005","17.9205","0.0005","24.6247","0.0007","90","","104.033","0.001","90","","7837.1","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[N(ArCNHPh)3Cu]OTf","","","- C41.5 H33 Cl3 Cu F3 N4 O3 S -","- C41.5 H32 Cl3 Cu F3 N4 O3 S -","- C332 H256 Cl24 Cu8 F24 N32 O24 S8 -","8","1","","Scepaniak, Jeremiah J.; Wu, Guang; Hayton, Trevor W.","Complexes of Cu(i) supported by a tris(ketimine) tripod.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7859","7861","10.1039/c2dt30101f","","","0.71073","MoKα","","0.0467","0.0395","","","0.0983","0.1034","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019256","12.7642","0.0006","13.1378","0.0006","16.1379","0.0007","107.663","0.003","91.273","0.003","113.713","0.002","2328.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[N(ArCNHPh)3Cu]PF6","","","- C43 H38 Cl8 Cu F6 N4 P -","- C43 H38 Cl8 Cu F6 N4 P -","- C86 H76 Cl16 Cu2 F12 N8 P2 -","2","1","","Scepaniak, Jeremiah J.; Wu, Guang; Hayton, Trevor W.","Complexes of Cu(i) supported by a tris(ketimine) tripod.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7859","7861","10.1039/c2dt30101f","","","0.71073","MoKα","","0.068","0.0472","","","0.0893","0.0953","","","","","","1.187","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019257","21.5436","0.0005","9.8702","0.0002","17.0142","0.0004","90","","113.844","0.001","90","","3309.1","0.13","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl Ga N4 -","- C36 H44 Cl Ga N4 -","- C144 H176 Cl4 Ga4 N16 -","4","0.5","","Kowolik, Kristin; Shanmugam, Maheswaran; Myers, Thomas W.; Cates, Chelsea D.; Berben, Louise A.","A redox series of gallium(iii) complexes: ligand-based two-electron oxidation affords a gallium-thiolate complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7969","7976","10.1039/c2dt30112a","","","1.54178","CuKα","","0.0307","0.0307","","","0.1489","0.149","","","","","","1.464","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019258","17.7553","0.0017","15.5781","0.0015","23.043","0.002","90","","102.565","0.006","90","","6220.9","1","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63.06 H97.41 Ga N4 Na O6.9 -","- C63.055 H96.194 Ga N4 Na O6.9 -","- C252.22 H384.776 Ga4 N16 Na4 O27.6 -","4","1","","Kowolik, Kristin; Shanmugam, Maheswaran; Myers, Thomas W.; Cates, Chelsea D.; Berben, Louise A.","A redox series of gallium(iii) complexes: ligand-based two-electron oxidation affords a gallium-thiolate complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7969","7976","10.1039/c2dt30112a","","","1.54178","CuKα","","0.0597","0.0518","","","0.1461","0.1534","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019259","11.6995","0.001","18.9938","0.0017","19.1287","0.0014","90","","114.022","0.004","90","","3882.6","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Ga N4 O S -","- C41 H55 Ga N4 O S -","- C164 H220 Ga4 N16 O4 S4 -","4","1","","Kowolik, Kristin; Shanmugam, Maheswaran; Myers, Thomas W.; Cates, Chelsea D.; Berben, Louise A.","A redox series of gallium(iii) complexes: ligand-based two-electron oxidation affords a gallium-thiolate complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7969","7976","10.1039/c2dt30112a","","","0.71073","MoKα","","0.0835","0.0508","","","0.1296","0.1449","","","","","","1.025","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019260","9.9197","0.0003","9.9197","0.0003","6.3434","0.0002","90","","90","","90","","624.19","0.03","300","","300","","","","","","","","","6","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- C8 H9 F8 N4 Ni P -","- C8 H9 F8 N4 Ni P -","- C16 H18 F16 N8 Ni2 P2 -","2","0.125","","Manson, Jamie L.; Carreiro, Kimberly E.; Lapidus, Saul H.; Stephens, Peter W.; Goddard, Paul A.; Del Sesto, Rico E.; Bendix, Jesper; Ghannadzadeh, Saman; Franke, Isabel; Singleton, John; Lancaster, Tom; Möller, Johannes S; Baker, Peter J.; Pratt, Francis L.; Blundell, Stephen J.; Kang, Jinhee; Lee, Changhoon; Whangbo, Myung-Hwan","Influence of HF(2)(-) geometry on magnetic interactions elucidated from polymorphs of the metal-organic framework [Ni(HF(2))(pyz)(2)]PF(6) (pyz = pyrazine).","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7235","7243","10.1039/c2dt30113j","powder diffraction","","0.699455","synchrotron","","","","","","","","","","2.232","","","","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019261","12.769","0.002","13.437","0.003","17.341","0.003","100.068","0.003","91.765","0.003","115.554","0.003","2624","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.75 H67.75 Cl2.25 Cu N5 O4 -","- C52.75 H67.75 Cl2.25 Cu N5 O4 -","- C105.5 H135.5 Cl4.5 Cu2 N10 O8 -","2","1","","Mikhalitsyna, Elena A.; Tyurin, Vladimir S.; Zamylatskov, Ilia A.; Khrustalev, Victor N.; Beletskaya, Irina P.","Synthesis, characterization and cation-induced dimerization of new aza-crown ether-appended metalloporphyrins.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7624","7636","10.1039/c2dt30123g","","","0.71073","MoKα","","0.1439","0.0851","","","0.1936","0.2262","","","","","","1","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019262","20.044","0.015","13.779","0.01","17.745","0.015","90","","111.71","0.02","90","","4553","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H134 N10 O8 Zn2 -","- C104 H134 N10 O8 Zn2 -","- C208 H268 N20 O16 Zn4 -","2","0.5","","Mikhalitsyna, Elena A.; Tyurin, Vladimir S.; Zamylatskov, Ilia A.; Khrustalev, Victor N.; Beletskaya, Irina P.","Synthesis, characterization and cation-induced dimerization of new aza-crown ether-appended metalloporphyrins.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7624","7636","10.1039/c2dt30123g","","","0.71073","MoKα","","0.4096","0.1071","","","0.0853","0.1487","","","","","","0.868","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019263","14.7594","0.0002","19.6725","0.0002","26.8029","0.0003","90","","99.6681","0.0011","90","","7671.81","0.16","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H76 N16 O13 Zn -","- C85 H76 N16 O13 Zn -","- C340 H304 N64 O52 Zn4 -","4","1","","Gilday, Lydia C.; White, Nicholas G.; Beer, Paul D.","Triazole- and triazolium-containing porphyrin-cages for optical anion sensing.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7092","7097","10.1039/c2dt30124e","","","1.5418","CuKα","","0.0639","0.056","","0.1612","0.1563","0.1612","","","","","","1.0464","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019264","11.1812","0.001","13.7232","0.0012","14.4137","0.0014","106.207","0.007","92.406","0.007","98.235","0.007","2094","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.6 H109.2 Cl1.6 Gd4 Mn4 N13.2 O44 -","- C51.6 H98 Cl1.6 Gd4 Mn4 N13.2 O44 -","- C51.6 H98 Cl1.6 Gd4 Mn4 N13.2 O44 -","1","0.5","","Khan, Amin; Lan, Yanhua; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Using the flexible ligand bis(2-hydroxyethyl)amino-tris (hydroxymethyl)methane (""bis-tris"") to access a family of 3d-4f Mn(III)(4)Ln(4) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8333","8339","10.1039/c2dt30127j","","","0.71073","MoKα","","0.0495","0.0374","","","0.1014","0.105","","","","","","0.988","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019265","11.2153","0.0008","13.7027","0.001","14.3792","0.001","106.212","0.006","92.408","0.006","98.372","0.006","2091.3","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.6 H109.2 Cl1.6 Dy4 Mn4 N13.2 O44 -","- C51.6 H98 Cl1.6 Dy4 Mn4 N13.2 O44 -","- C51.6 H98 Cl1.6 Dy4 Mn4 N13.2 O44 -","1","0.5","","Khan, Amin; Lan, Yanhua; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Using the flexible ligand bis(2-hydroxyethyl)amino-tris (hydroxymethyl)methane (""bis-tris"") to access a family of 3d-4f Mn(III)(4)Ln(4) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8333","8339","10.1039/c2dt30127j","","","0.71073","MoKα","","0.0954","0.0563","","","0.1322","0.1469","","","","","","0.95","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019266","11.907","0.002","12.982","0.003","15.032","0.005","90","","94.268","0.019","90","","2317.2","1","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H36 B18 Co N O -","- C9 H36 B18 Co N O -","- C36 H144 B72 Co4 N4 O4 -","4","1","","Grüner, Bohumír; Svec, Petr; Sícha, Václav; Padělková, Zdeňka","Direct and facile synthesis of carbon substituted alkylhydroxy derivatives of cobalt bis(1,2-dicarbollide), versatile building blocks for synthetic purposes.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7498","7512","10.1039/c2dt30128h","","","0.71073","MoKα","","0.0959","0.0573","","","0.1129","0.1356","","","","","","1.134","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019267","14.237","0.0009","13.782","0.0007","13.679","0.001","90","","93.537","0.007","90","","2678.9","0.3","150","1","150","1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H49 B18 Co N2 O2 -","- C11 H39 B18 Co N O2 -","- C44 H156 B72 Co4 N4 O8 -","4","2","","Grüner, Bohumír; Svec, Petr; Sícha, Václav; Padělková, Zdeňka","Direct and facile synthesis of carbon substituted alkylhydroxy derivatives of cobalt bis(1,2-dicarbollide), versatile building blocks for synthetic purposes.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7498","7512","10.1039/c2dt30128h","","","0.71073","MoKα","","0.0774","0.0652","","","0.1654","0.1755","","","","","","1.038","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019268","19.534","0.008","7.441","0.006","15.702","0.009","90","","122.39","0.12","90","","1927","3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H26 B18 Co Cs O2 -","- C6 H26 B18 Co Cs O2 -","- C24 H104 B72 Co4 Cs4 O8 -","4","0.5","","Grüner, Bohumír; Svec, Petr; Sícha, Václav; Padělková, Zdeňka","Direct and facile synthesis of carbon substituted alkylhydroxy derivatives of cobalt bis(1,2-dicarbollide), versatile building blocks for synthetic purposes.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7498","7512","10.1039/c2dt30128h","","","0.71073","MoKα","","0.0267","0.0227","","","0.0522","0.054","","","","","","1.138","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019269","7.7523","0.0003","25.2982","0.0011","10.7609","0.0004","90","","106.849","0.002","90","","2019.82","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N3 O Zn -","- C19 H19 Cl2 N3 O Zn -","- C76 H76 Cl8 N12 O4 Zn4 -","4","1","","Gwizdala, Celina; Singh, Charlene V.; Friss, Tracey R.; Macdonald, John C.; Burdette, Shawn C.","Quantifying factors that influence metal ion release in photocaged complexes using ZinCast derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8162","8174","10.1039/c2dt30135k","","","0.71073","MoKα","","0.0608","0.0343","","","0.0681","0.0756","","","","","","1.006","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019270","27.185","0.005","12.1","0.002","20.605","0.004","90","","90","","90","","6778","2","120","2","120","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H25 N O10 P Tb -","- C24 H19 N O10 P Tb -","- C192 H152 N8 O80 P8 Tb8 -","8","1","","Ibarra, Ilich A.; Hesterberg, Travis W.; Holliday, Bradley J.; Lynch, Vincent M.; Humphrey, Simon M.","Gas sorption and luminescence properties of a terbium(iii)-phosphine oxide coordination material with two-dimensional pore topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8003","8009","10.1039/c2dt30138e","","","0.71075","MoKα","","0.1513","0.0795","","","0.1603","0.1894","","","","","","1.059","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019271","9.1697","0.0007","14.412","0.001","13.6075","0.0011","90","","91.467","0.003","90","","1797.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl4 Co2 N10 O4 -","- C34 H32 Cl4 Co2 N10 O4 -","- C68 H64 Cl8 Co4 N20 O8 -","2","0.5","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0322","0.0266","","","0.0665","0.0702","","","","","","1.075","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019272","8.5467","0.0009","13.5994","0.0016","14.4097","0.0018","90","","103.693","0.006","90","","1627.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Fe2 N10 O4 -","- C34 H32 Fe2 N10 O4 -","- C68 H64 Fe4 N20 O8 -","2","0.5","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.1011","0.0553","","","0.1238","0.1458","","","","","","1.069","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019273","14.4194","0.0015","9.7386","0.001","14.4293","0.0015","90","","90","","90","","2026.2","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H32 F6 N7 Ni P -","- C14 H32 F6 N7 Ni P -","- C56 H128 F24 N28 Ni4 P4 -","4","0.5","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0361","0.0277","","","0.069","0.074","","","","","","1.013","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019274","13.9561","0.0009","15.2417","0.001","9.2732","0.0005","90","","90","","90","","1972.5","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H32 Cl Co N7 O4 -","- C14 H32 Cl Co N7 O4 -","- C56 H128 Cl4 Co4 N28 O16 -","4","1","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0244","0.0214","","","0.0495","0.0506","","","","","","1.034","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019275","13.469","0.0011","13.3584","0.0012","20.0722","0.0014","90","","90","","90","","3611.5","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H25 Cl Co N7 O6 -","- C12 H25 Cl Co N7 O6 -","- C96 H200 Cl8 Co8 N56 O48 -","8","1","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0734","0.0374","","","0.0725","0.0853","","","","","","1.04","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019276","12.2771","0.0007","15.7842","0.0009","14.1558","0.0008","90","","104.624","0.003","90","","2654.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H76 Cl2 N14 Ni2 O16 -","- C40 H76 Cl2 N14 Ni2 O16 -","- C80 H152 Cl4 N28 Ni4 O32 -","2","0.25","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0439","0.0331","","","0.0815","0.0874","","","","","","1.014","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019277","12.4963","0.0012","16.1164","0.0015","14.2264","0.0014","90","","105.206","0.005","90","","2764.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 Cl Co N7 O8 -","- C20 H38 Cl Co N7 O8 -","- C80 H152 Cl4 Co4 N28 O32 -","4","0.5","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0591","0.0495","","","0.1487","0.1599","","","","","","1.055","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019278","8.5289","0.0015","15.574","0.003","17.297","0.003","90","","98.964","0.005","90","","2269.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Cl2 In N2 O -","- C20 H35 Cl2 In N2 O -","- C80 H140 Cl8 In4 N8 O4 -","4","1","","Osten, Kimberly M.; Yu, Insun; Duffy, Ian R.; Lagaditis, Paraskevi O.; Yu, Joey C.-C.; Wallis, Christopher J.; Mehrkhodavandi, Parisa","Effects of ligand tuning on dinuclear indium catalysts for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8123","8134","10.1039/c2dt30148b","","","0.71073","MoKα","","0.0556","0.0343","","","0.0901","0.1062","","","","","","0.967","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019279","8.6106","0.001","18.028","0.002","20.77","0.002","112.588","0.005","99.361","0.006","90.583","0.006","2927.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 Cl2 In N2 O -","- C27 H47 Cl2 In N2 O -","- C108 H188 Cl8 In4 N8 O4 -","4","2","","Osten, Kimberly M.; Yu, Insun; Duffy, Ian R.; Lagaditis, Paraskevi O.; Yu, Joey C.-C.; Wallis, Christopher J.; Mehrkhodavandi, Parisa","Effects of ligand tuning on dinuclear indium catalysts for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8123","8134","10.1039/c2dt30148b","","","0.71073","mokα","","0.0318","0.0267","","","0.0671","0.0742","","","","","","1.146","","","","has coordinates","189830","2020-10-21","18:00:00",""
"7019280","11.4157","0.0003","17.5129","0.0004","17.1967","0.0004","90","","104.324","0.001","90","","3331.12","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 Cl2 In N2 O2 -","- C34 H53 Cl2 In N2 O2 -","- C136 H212 Cl8 In4 N8 O8 -","4","1","","Osten, Kimberly M.; Yu, Insun; Duffy, Ian R.; Lagaditis, Paraskevi O.; Yu, Joey C.-C.; Wallis, Christopher J.; Mehrkhodavandi, Parisa","Effects of ligand tuning on dinuclear indium catalysts for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8123","8134","10.1039/c2dt30148b","","","0.71073","MoKα","","0.0362","0.0299","","","0.0761","0.08","","","","","","1.054","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019281","36.9023","0.0016","10.2529","0.0005","17.8775","0.0009","90","","116.647","0.002","90","","6045.6","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H99 Cl2 In2 N4 O4 -","- C56 H99 Cl2 In2 N4 O4 -","- C224 H396 Cl8 In8 N16 O16 -","4","0.5","","Osten, Kimberly M.; Yu, Insun; Duffy, Ian R.; Lagaditis, Paraskevi O.; Yu, Joey C.-C.; Wallis, Christopher J.; Mehrkhodavandi, Parisa","Effects of ligand tuning on dinuclear indium catalysts for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8123","8134","10.1039/c2dt30148b","","","0.71073","MoKα","","0.0581","0.0308","","","0.0736","0.1125","","","","","","1.025","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019282","34.498","0.0008","17.8985","0.0004","16.8592","0.0004","90","","108.144","0.001","90","","9892.3","0.4","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","Cr2Mn(dpa)4(OTf)2(CH2Cl2)0.65","","","- C42.65 H33.3 Cl1.3 Cr2 F6 Mn N12 O6 S2 -","- C42.65 H33.3 Cl1.3 Cr1.995 F6 Mn N12 O6 S2 -","- C341.2 H266.4 Cl10.4 Cr15.96 F48 Mn8 N96 O48 S16 -","8","2","","Turov, Yevgeniya; Berry, John F.","Synthesis, characterization and thermal properties of trimetallic N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M = Cr, Mn, Fe, and Co.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8153","8161","10.1039/c2dt30150d","","","0.71073","MoKα","","0.0692","0.0624","","","0.1624","0.1673","","","","","","1.093","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019283","13.8889","0.0007","16.5572","0.0008","17.0566","0.0008","90","","96.002","0.003","90","","3900.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr2Mn(dpa)4(N3)2","","","- C40 H32 Cr2 Mn N18 -","- C40 H32 Cr2 Mn N18 -","- C160 H128 Cr8 Mn4 N72 -","4","1","","Turov, Yevgeniya; Berry, John F.","Synthesis, characterization and thermal properties of trimetallic N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M = Cr, Mn, Fe, and Co.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8153","8161","10.1039/c2dt30150d","","","0.71073","MoKα","","0.0588","0.0426","","","0.1073","0.1161","","","","","","1.098","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019284","15.945","0.0005","16.2777","0.0005","17.643","0.0006","90","","104.433","0.002","90","","4434.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cr2 Fe N18 O -","- C44 H42 Cr2 Fe N18 O -","- C176 H168 Cr8 Fe4 N72 O4 -","4","1","","Turov, Yevgeniya; Berry, John F.","Synthesis, characterization and thermal properties of trimetallic N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M = Cr, Mn, Fe, and Co.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8153","8161","10.1039/c2dt30150d","","","0.71073","MoKα","","0.0496","0.0403","","","0.1443","0.1513","","","","","","1.126","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019285","27.7912","0.001","10.0388","0.0004","22.7492","0.0008","90","","125.337","0.001","90","","5177.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(Cr2Co(dpa)4(MeCN)2)(MeCN)2(PF6)2","","","- C48 H44 Co Cr2 F12 N16 P2 -","- C48 H44 Co Cr2 F12 N16 P2 -","- C192 H176 Co4 Cr8 F48 N64 P8 -","4","0.5","","Turov, Yevgeniya; Berry, John F.","Synthesis, characterization and thermal properties of trimetallic N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M = Cr, Mn, Fe, and Co.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8153","8161","10.1039/c2dt30150d","","","0.71073","MoKα","","0.0507","0.0489","","","0.1499","0.1516","","","","","","0.864","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019286","15.9804","0.0003","16.2292","0.0003","17.6685","0.0003","90","","104.626","0.001","90","","4433.82","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(N3)2(Et2O)","","","- C44 H42 Cr3 N18 O -","- C44 H42 Cr3 N18 O -","- C176 H168 Cr12 N72 O4 -","4","1","","Turov, Yevgeniya; Berry, John F.","Synthesis, characterization and thermal properties of trimetallic N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M = Cr, Mn, Fe, and Co.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8153","8161","10.1039/c2dt30150d","","","0.71073","MoKα","","0.0368","0.0316","","","0.0876","0.0917","","","","","","1.044","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019287","15.902","0.0003","16.1624","0.0003","17.5796","0.0003","90","","104.688","0.001","90","","4370.56","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cr2Co(dpa)4(N3)2(Et2O)","","","- C44 H42 Co Cr2 N18 O -","- C44 H42 Co Cr2 N18 O -","- C176 H168 Co4 Cr8 N72 O4 -","4","1","","Turov, Yevgeniya; Berry, John F.","Synthesis, characterization and thermal properties of trimetallic N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M = Cr, Mn, Fe, and Co.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8153","8161","10.1039/c2dt30150d","","","0.71073","MoKα","","0.0427","0.0336","","","0.0843","0.09","","","","","","1.031","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019288","16.097","0.0003","16.3036","0.0003","17.7674","0.0004","90","","104.627","0.001","90","","4511.74","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cr2Co(dpa)4(N3)2(Et2O)","","","- C44 H42 Co Cr2 N18 O -","- C44 H42 Co Cr2 N18 O -","- C176 H168 Co4 Cr8 N72 O4 -","4","1","","Turov, Yevgeniya; Berry, John F.","Synthesis, characterization and thermal properties of trimetallic N(3)-Cr[quadruple bond, length as m-dash]CrM-N(3) azide complexes with M = Cr, Mn, Fe, and Co.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8153","8161","10.1039/c2dt30150d","","","0.71073","MoKα","","0.0727","0.0402","","","0.0924","0.1072","","","","","","1.018","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019289","11.8889","0.0015","11.9354","0.0015","35.238","0.005","90","","90","","90","","5000.2","1.1","293","","293","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au N8 Nd O12 -","- C34 H72 Au N8 Nd O12 -","- C136 H288 Au4 N32 Nd4 O48 -","4","0.5","","Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.","Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6992","6997","10.1039/c2dt30156c","","","0.71073","MoKα","","0.0439","0.0336","","0.0312","0.0274","0.027","","","","","","1.0839","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7019290","12.0175","0.0013","12.0203","0.0014","35.042","0.004","90","","90","","90","","5062","1","293","","293","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au Eu N8 O12 -","- C34 H72 Au Eu N8 O12 -","- C136 H288 Au4 Eu4 N32 O48 -","4","0.5","","Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.","Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6992","6997","10.1039/c2dt30156c","","","0.71073","MoKα","","0.0569","0.023","","0.0472","0.0196","0.0194","","","","","","1.0644","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019291","11.9857","0.0002","12.0414","0.0002","35.0246","0.0006","90","","90","","90","","5054.91","0.15","293","","293","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au Gd N8 O12 -","- C34 H72 Au Gd N8 O12 -","- C136 H288 Au4 Gd4 N32 O48 -","4","0.5","","Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.","Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6992","6997","10.1039/c2dt30156c","","","0.71073","MoKα","","0.05","0.0439","","0.0439","0.0252","0.025","","","","","","1.0601","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019292","12.0111","0.0005","12.0111","0.0005","34.9402","0.0016","90","","90","","90","","5040.7","0.4","296","2","293","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au N8 O12 Tb -","- C34 H72 Au N8 O12 Tb -","- C136 H288 Au4 N32 O48 Tb4 -","4","0.5","","Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B.","Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6992","6997","10.1039/c2dt30156c","","","0.71073","MoKα","","0.0313","0.0235","","0.0257","0.0186","0.0184","","","","","","1.0729","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019293","16.527","0.003","16.527","0.003","17.005","0.005","90","","90","","90","","4644.8","1.8","293","2","293","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C46 H40 Cl2 N6 O2 Pd2 -","- C46 H40 Cl2 N6 O2 Pd2 -","- C184 H160 Cl8 N24 O8 Pd8 -","4","0.5","","Meduri, Angelo; Cozzula, Daniela; D'Amora, Angela; Zangrando, Ennio; Gladiali, Serafino; Milani, Barbara","Unique syndio-selectivity in CO/styrene copolymerization reaction catalyzed by palladium complexes with 2-(2'-oxazolinyl)-1,10-phenanthrolines.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7474","7484","10.1039/c2dt30157a","","","1.5418","CuKα","","0.1128","0.0636","","","0.1433","0.1739","","","","","","1.109","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019294","14.19","0.0011","14.19","0.0011","42.2","0.004","90","","90","","120","","7358.8","1.1","100","2","100","2","","","","","","","","8","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C47 H42 Cl2 F12 N6 O2 P2 Pd2 -","- C47 H42 Cl2 F12 N6 O2 P2 Pd2 -","- C282 H252 Cl12 F72 N36 O12 P12 Pd12 -","6","0.5","","Meduri, Angelo; Cozzula, Daniela; D'Amora, Angela; Zangrando, Ennio; Gladiali, Serafino; Milani, Barbara","Unique syndio-selectivity in CO/styrene copolymerization reaction catalyzed by palladium complexes with 2-(2'-oxazolinyl)-1,10-phenanthrolines.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7474","7484","10.1039/c2dt30157a","","","1","synchrotron","","0.0285","0.0284","","","0.0713","0.0714","","","","","","1.056","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019295","9.2266","0.0014","11.0286","0.0016","13.5053","0.0019","81.93","0.007","82.478","0.007","72.311","0.007","1290.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 Cr N2 -","- C31 H34 Cr N2 -","- C62 H68 Cr2 N4 -","2","1","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0631","0.0444","","","0.1094","0.1214","","","","","","1.104","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019296","12.1823","0.0007","12.3521","0.0007","13.2389","0.0008","111.688","0.003","106.727","0.003","91.867","0.003","1751.06","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Cr N2 O -","- C40 H52 Cr N2 O -","- C80 H104 Cr2 N4 O2 -","2","1","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0427","0.0355","","","0.0937","0.0989","","","","","","1.033","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019297","10.5374","0.0002","13.0276","0.0002","20.7603","0.0004","90","","90","","90","","2849.91","0.09","173","2","173","2","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C31 H41 Cl Cr N2 -","- C31 H41 Cl Cr N2 -","- C124 H164 Cl4 Cr4 N8 -","4","0.5","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0463","0.032","","","0.0801","0.0876","","","","","","1.059","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019298","13.1264","0.0014","7.0886","0.0008","18.898","0.002","90","","100.821","0.006","90","","1727.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Cr N2 -","- C20 H21 Cr N2 -","- C80 H84 Cr4 N8 -","4","2","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.1022","0.0816","","","0.1988","0.2161","","","","","","1.075","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019299","11.2842","0.0003","27.0693","0.0009","12.1378","0.0004","90","","111.777","0.001","90","","3442.97","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 Cr N2 O -","- C38 H56 Cr N2 O -","- C152 H224 Cr4 N8 O4 -","4","1","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0614","0.0416","","","0.1007","0.1119","","","","","","1.037","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019300","22.2076","0.0014","10.7791","0.0006","37.721","0.002","90","","105.701","0.002","90","","8692.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H41 Cr N2 -","- C31 H41 Cr N2 -","- C372 H492 Cr12 N24 -","12","6","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0966","0.0537","","","0.0972","0.1114","","","","","","1.009","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019301","10.0652","0.0005","17.6932","0.0009","20.9964","0.0011","90","","90","","90","","3739.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cr I N2 -","- C20 H21 Cr I N2 -","- C160 H168 Cr8 I8 N16 -","8","1","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0216","0.0169","","","0.0412","0.044","","","","","","1.073","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019302","8.2157","0.0007","8.8464","0.0008","16.8445","0.0015","89.077","0.002","89.842","0.002","77.669","0.002","1195.85","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cr N2 O -","- C29 H32 Cr N2 O -","- C58 H64 Cr2 N4 O2 -","2","1","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0458","0.0337","","","0.0811","0.0867","","","","","","1.053","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019303","8.151","0.0004","13.9425","0.0007","19.9028","0.001","90","","94.522","0.003","90","","2254.82","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl Cr N2 -","- C25 H29 Cl Cr N2 -","- C100 H116 Cl4 Cr4 N8 -","4","1","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0964","0.0697","","","0.1613","0.1714","","","","","","1.048","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019304","7.3962","0.0002","20.1718","0.0004","17.1472","0.0003","90","","90","","90","","2558.27","0.1","200","2","200","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C22 H40 Na2 O2 Si2 -","- C22 H40 Na2 O2 Si2 -","- C88 H160 Na8 O8 Si8 -","4","0.25","","Jeletic, Matthew; Perras, Frédéric A; Gorelsky, Serge I.; Le Roy, Jennifer J.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","First structural evidence for multiple alkali metals between sandwich decks in a metallocene.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8060","8066","10.1039/c2dt30164d","","","0.71073","MoKα","","0.0498","0.0399","","","0.111","0.1192","","","","","","1.043","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019305","10.713","0.002","11.295","0.003","11.483","0.002","99.865","0.012","108.105","0.011","97.319","0.013","1276.7","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H80 Li4 O4 Si4 -","- C44 H80 Li4 O4 Si4 -","- C44 H80 Li4 O4 Si4 -","1","0.5","","Jeletic, Matthew; Perras, Frédéric A; Gorelsky, Serge I.; Le Roy, Jennifer J.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","First structural evidence for multiple alkali metals between sandwich decks in a metallocene.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8060","8066","10.1039/c2dt30164d","","","0.71073","MoKα","","0.0903","0.0577","","","0.1536","0.1773","","","","","","1.067","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019306","11.498","0.002","17.844","0.004","18.107","0.006","90","","113.49","0.02","90","","3407.2","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Cl6 N3 Sn -","- C34 H27 Cl6 N3 Sn -","- C136 H108 Cl24 N12 Sn4 -","4","1","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.0728","0.0574","","","0.1584","0.1808","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019307","11.106","0.002","14.813","0.003","16.56","0.003","103.03","0.03","99.79","0.03","94.54","0.03","2595.9","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 As Cl N3 -","- C33 H25 As Cl N3 -","- C132 H100 As4 Cl4 N12 -","4","2","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.0565","0.036","","","0.0824","0.0902","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019308","20.871","0.004","13.861","0.003","22.172","0.004","90","","90","","90","","6414","2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H25 Cl N3 P -","- C33 H25 Cl N3 P -","- C264 H200 Cl8 N24 P8 -","8","2","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.089","0.0654","","","0.1653","0.1761","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019309","10.222","0.002","11.568","0.002","14.686","0.003","101.08","0.03","91.95","0.03","108.62","0.03","1606.5","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cl5 N3 Sb -","- C34 H27 Cl5 N3 Sb -","- C68 H54 Cl10 N6 Sb2 -","2","1","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.044","0.0346","","","0.0911","0.1158","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019310","15.192","0.003","18.558","0.004","22.275","0.004","90","","90","","90","","6280","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H28 Bi Cl3 N4 -","- C35 H28 Bi Cl3 N4 -","- C280 H224 Bi8 Cl24 N32 -","8","1","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.0737","0.044","","","0.1085","0.1367","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019311","11.01","0.002","15.943","0.003","23.006","0.006","90","","115.88","0.02","90","","3633.3","1.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 As Cl2 F3 N3 O3 S -","- C35 H27 As Cl2 F3 N3 O3 S -","- C140 H108 As4 Cl8 F12 N12 O12 S4 -","4","1","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.088","0.0576","","","0.1629","0.1799","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019312","12.5743","0.001","20.9295","0.0017","14.73","0.0011","90","","93.609","0.002","90","","3868.9","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36.2 H25 Cl2 F3 N3 O3.55 S Sb -","- C36.2 H25 Cl2 F3 N3 O3.55 S Sb -","- C144.8 H100 Cl8 F12 N12 O14.2 S4 Sb4 -","4","1","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.1091","0.0577","","","0.1584","0.1905","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019313","42.4663","0.0017","9.7165","0.0005","20.6524","0.0008","90","","110.538","0.002","90","","7980","0.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 Bi Cl6 F3 N3 O3 S -","- C36 H29 Bi Cl6 F3 N3 O3 S -","- C288 H232 Bi8 Cl48 F24 N24 O24 S8 -","8","1","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.074","0.0399","","","0.0765","0.0865","","","","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019314","20.0538","0.0011","22.4461","0.0011","23.9573","0.001","90","","108.327","0.002","90","","10236.9","0.9","120","2","120","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H144 Fe4 N4 O18 -","- C98 H144 Fe4 N4 O18 -","- C392 H576 Fe16 N16 O72 -","4","0.5","","Prasad, Thazhe Kootteri; Poneti, Giordano; Sorace, Lorenzo; Rodriguez-Douton, Maria Jesus; Barra, Anne-Laure; Neugebauer, Petr; Costantino, Luca; Sessoli, Roberta; Cornia, Andrea","Magnetic and optical bistability in tetrairon(iii) single molecule magnets functionalized with azobenzene groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8368","8378","10.1039/c2dt30172e","","","0.71073","MoKα","","0.0959","0.0514","","","0.1217","0.1412","","","","","","1.007","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019315","12.6321","0.0018","22.061","0.003","14.907","0.002","90","","110.806","0.002","90","","3883.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(LiPr)Ni(H)(Br).(C6H6)","","","- C42 H49 Br Ni O P2 -","- C42 H49 Br Ni O P2 -","- C168 H196 Br4 Ni4 O4 P8 -","4","1","","Tereniak, Stephen J.; Marlier, Elodie E.; Lu, Connie C.","One-electron Ni(ii)/(i) redox couple: potential role in hydrogen activation and production.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7862","7865","10.1039/c2dt30176h","","","0.71073","MoKα","","0.0979","0.0456","","","0.0957","0.1199","","","","","","1.047","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019316","13.334","0.003","13.334","0.003","31.203","0.006","90","","90","","120","","4804.5","1.8","223.1","","223","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H36 Mo Na O6 S3 -","- C30 H36 Mo Na O6 S3 -","- C180 H216 Mo6 Na6 O36 S18 -","6","0.333333","","Matsumoto, Takeshi; Wakizaka, Masanori; Yano, Hirokazu; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [Mo(V)(1,2-mercaptophenolato)(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8303","8315","10.1039/c2dt30178d","","","0.7107","MoKα","","","0.0688","","","","0.2264","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019317","9.6","0.003","18.538","0.005","19.72","0.006","90","","97.4835","0.0011","90","","3479.6","1.8","223.1","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Mo N O3 S3 -","- C34 H48 Mo N O3 S3 -","- C136 H192 Mo4 N4 O12 S12 -","4","1","","Matsumoto, Takeshi; Wakizaka, Masanori; Yano, Hirokazu; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [Mo(V)(1,2-mercaptophenolato)(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8303","8315","10.1039/c2dt30178d","","","0.7107","MoKα","","","0.0467","","","","0.1432","","","","","","0.842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019318","11.298","0.003","13.113","0.004","15.057","0.004","96.392","0.003","105.83","0.004","96.331","0.003","2109.6","1","163.1","","163","","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H33 Cl3 Mn Mo2 O8 S6 -","- C38.5 H29 Cl3 Mn Mo2 O8 S6 -","- C77 H58 Cl6 Mn2 Mo4 O16 S12 -","2","1","","Matsumoto, Takeshi; Wakizaka, Masanori; Yano, Hirokazu; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [Mo(V)(1,2-mercaptophenolato)(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8303","8315","10.1039/c2dt30178d","","","0.7107","MoKα","","","0.0536","","","","0.1696","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019319","11.356","0.002","13.024","0.002","14.982","0.003","96.542","0.003","106.062","0.003","95.802","0.003","2095","0.6","163.1","","163","","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H33 Cl3 Co Mo2 O8 S6 -","- C38.5 H29 Cl3 Co Mo2 O8 S6 -","- C77 H58 Cl6 Co2 Mo4 O16 S12 -","2","1","","Matsumoto, Takeshi; Wakizaka, Masanori; Yano, Hirokazu; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [Mo(V)(1,2-mercaptophenolato)(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8303","8315","10.1039/c2dt30178d","","","0.7107","MoKα","","","0.0534","","","","0.1418","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019320","10.3274","0.0015","11.2089","0.0019","17.151","0.002","90","","92.542","0.007","90","","1983.4","0.5","163.1","","163","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cu Mo N O3 S3 -","- C20 H15 Cu Mo N O3 S3 -","- C80 H60 Cu4 Mo4 N4 O12 S12 -","4","1","","Matsumoto, Takeshi; Wakizaka, Masanori; Yano, Hirokazu; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [Mo(V)(1,2-mercaptophenolato)(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8303","8315","10.1039/c2dt30178d","","","0.71075","MoKα","","","0.0652","","","","0.1518","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019321","9.2701","0.0006","27.893","0.003","14.715","0.0012","90","0.012","127.268","0.007","90","0.009","3028","0.5","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 B10 Cl2 F6 Fe P -","- C21 H37 B10 Cl2 F6 Fe P -","- C84 H148 B40 Cl8 F24 Fe4 P4 -","4","1","","Bakardjiev, Mario; Stíbr, Bohumil; Holub, Josef; Růžička, Aleš; Padělková, Zdeňka","Half-pseudoferrocene cations from nucleophilic addition of o-carboranyl anions to the [(η(6)-mesitylene)(2)Fe](2+) dication.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7151","7155","10.1039/c2dt30181d","","","0.71073","MoKα","","0.1032","0.0914","","","0.1996","0.2074","","","","","","1.189","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019322","12.8251","0.001","12.9748","0.0011","25.576","0.002","90","0.007","103.058","0.006","90","0.007","4145.9","0.6","150","2","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 B30 Fe -","- C24 H58 B30 Fe -","- C96 H232 B120 Fe4 -","4","1","","Bakardjiev, Mario; Stíbr, Bohumil; Holub, Josef; Růžička, Aleš; Padělková, Zdeňka","Half-pseudoferrocene cations from nucleophilic addition of o-carboranyl anions to the [(η(6)-mesitylene)(2)Fe](2+) dication.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7151","7155","10.1039/c2dt30181d","","","0.71073","MoKα","","0.0766","0.0554","","","0.1295","0.1461","","","","","","1.086","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019323","18.17","0.003","9.3856","0.0017","36.028","0.006","90","","109.797","0.01","90","","5781","1.8","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53.32 Cd1.08 N6 O12 -","- C48 H26.42 Cd1.07 N4 O9 -","- C192 H105.68 Cd4.28 N16 O36 -","4","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","0.71073","MOKα","","0.1609","0.1434","","","0.3502","0.3645","","","","","","1.465","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019324","9.344","0.0006","41.835","0.003","30.0493","0.0018","90","","90","","90","","11746.5","1.3","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H52 Cd Cu N6 O12 -","- C48 H24 Cd Cu N4 O7 -","- C384 H192 Cd8 Cu8 N32 O56 -","8","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","1.54184","CUKα","","0.1097","0.0991","","","0.2592","0.2683","","","","","","1.067","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019325","30.1991","0.0009","9.2075","0.0003","41.8863","0.0013","90","","90","","90","","11646.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H52 Cd Co N6 O12 -","- C48 H26 Cd Co N4 O9 -","- C384 H208 Cd8 Co8 N32 O72 -","8","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","1.54184","CUKα","","0.0939","0.083","","","0.2265","0.238","","","","","","1.077","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019326","30.1121","0.0014","9.2525","0.0004","41.8531","0.0015","90","","90","","90","","11660.8","0.9","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55.75 H49.25 Cd Fe N5.75 O11.75 -","- C48 H24 Cd Fe N4 O9 -","- C384 H192 Cd8 Fe8 N32 O72 -","8","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","1.54184","CUKα","","0.1661","0.1441","","","0.33","0.3531","","","","","","1.029","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019327","59.431","0.002","9.3517","0.0004","41.7871","0.0017","90","","90","","90","","23224.5","1.6","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C105.5 H76 Cd2 N10 Ni2 O20.5 -","- C96 H52 Cd2 N8 Ni1.121 O18 -","- C768 H416 Cd16 N64 Ni8.968 O144 -","8","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","1.54184","CUKα","","0.1582","0.1341","","","0.3052","0.3175","","","","","","1.524","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019328","18.329","0.007","9.543","0.004","35.954","0.012","90","","109.701","0.018","90","","5921","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H106.5 Cd2 N12 O26 Pd2 -","- C96 H48 Cd2 N8 O19 Pd1.2 -","- C192 H96 Cd4 N16 O38 Pd2.4 -","2","0.5","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","0.71073","MoKα","","0.098","0.0818","","","0.2202","0.23","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019329","18.255","0.004","9.3888","0.0019","34.534","0.007","90","","99.624","0.006","90","","5836","2","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H26 Cd N4 O9 Zn -","- C48 H26 Cd N4 O9 Zn -","- C192 H104 Cd4 N16 O36 Zn4 -","4","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","0.71073","MOKα","","0.1249","0.1157","","","0.2696","0.2754","","","","","","1.007","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019330","18.967","0.002","18.967","0.002","61.245","0.015","90","","90","","90","","22033","6","100","2","100.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C120.75 H104.75 Cd2 Fe2 N13 O23 -","- C96 H48 Cd2 Fe2 N8 O17 -","- C768 H384 Cd16 Fe16 N64 O136 -","8","","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","0.71073","MOKα","","0.1328","0.1182","","","0.3031","0.3087","","","","","","2.504","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019331","16.948","0.0011","32.864","0.002","31.135","0.002","90","","94.336","0.004","90","","17291.9","1.9","150","","150","","","","","","","","Kevin Mason","7","P 1 21/n 1","-P 2yn","14","","","","- C140 H242 B5 F20 Fe7 N18 O40 -","- C127 H185 B4 F16 Fe7 N18 O26 -","- C508 H740 B16 F64 Fe28 N72 O104 -","4","1","","Mason, Kevin; Chang, John; Prescimone, Alessandro; Garlatti, Elena; Carretta, Stefano; Tasker, Peter A.; Brechin, Euan K.","Linking [M(III)(3)] triangles with ""double-headed"" phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8777","8785","10.1039/c2dt30189j","","","0.71073","MoKα","","0.1772","0.1166","","0.1532","0.1115","0.1115","","","","","","1.0984","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019332","26.5317","0.0004","26.5317","0.0004","101.306","0.002","90","","90","","120","","61758.4","1.8","100","","100","","","","","","","","K.Mason","7","R -3 c :H","-R 3 2""c","167","","","","- C111 H195 B3 F12 Fe6 N12 O33 -","- C102 H169 B2.66667 F10.6667 Fe6 N12 O24 -","- C1836 H3042 B48 F192 Fe108 N216 O432 -","18","0.5","","Mason, Kevin; Chang, John; Prescimone, Alessandro; Garlatti, Elena; Carretta, Stefano; Tasker, Peter A.; Brechin, Euan K.","Linking [M(III)(3)] triangles with ""double-headed"" phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8777","8785","10.1039/c2dt30189j","","","1.5418","CuKα","","0.1564","0.1468","","0.192","0.1769","0.1769","","","","","","1.0511","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019333","32.9404","0.0006","18.709","0.0003","28.3771","0.0005","90","","111.947","0.002","90","","16220.9","0.5","150","","150","","","","","","","","Kevin Mason","7","P 1 2/c 1","-P 2yc","13","","","","- C151 H208 B5 F20 Mn6 N27 O20 -","- C125 H181 B4.5 F18 Mn6 N23 O19.5 -","- C500 H724 B18 F72 Mn24 N92 O78 -","4","1","","Mason, Kevin; Chang, John; Prescimone, Alessandro; Garlatti, Elena; Carretta, Stefano; Tasker, Peter A.; Brechin, Euan K.","Linking [M(III)(3)] triangles with ""double-headed"" phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8777","8785","10.1039/c2dt30189j","","","1.5418","CuKα","","0.1694","0.1377","","0.1743","0.1548","0.1548","","","","","","1.097","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019334","12.0896","0.0002","4.5931","0.0001","21.5276","0.0005","90","","96.92","0.001","90","","1186.69","0.04","173","0.1","173","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","x-ray","0.71073","MoKα","","0.0452","0.0357","","","0.0871","0.093","","","","","","1.1","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019335","8.4693","0.0004","13.328","0.0006","15.0145","0.0008","90","","103.537","0.004","90","","1647.74","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 O2 -","- C16 H20 N6 O2 -","- C64 H80 N24 O8 -","4","1","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","x-ray","0.71073","MoKα","","0.1087","0.0566","","","0.1085","0.1278","","","","","","1.017","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019336","8.3851","0.0007","11.5345","0.0006","12.4214","0.001","90","","90","","90","","1201.37","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P c 21 b","P -2bc -2c","29","Compound 12","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","x-ray","0.71073","MoKα","","0.0568","0.0444","","","0.088","0.0929","","","","","","1.068","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019337","7.3327","0.0003","8.3914","0.0003","19.4356","0.0009","90","","91.255","0.002","90","","1195.62","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","x-ray","0.71073","MoKα","","0.0763","0.0516","","","0.1163","0.1288","","","","","","1.056","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019338","13.577","0.004","15.891","0.005","20.526","0.006","90","","91.995","0.007","90","","4426","2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 N16 O18 Pd2 -","- C30 H42 N15 O14 Pd2 -","- C120 H168 N60 O56 Pd8 -","4","1","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","","0.71073","MoKα","","0.0725","0.0631","","","0.1347","0.1376","","","","","","1.181","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019339","15.7089","0.0003","16.7004","0.0003","34.7739","0.0006","85.194","0.001","82.836","0.001","88.75","0.001","9019.1","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C80 H72 F12 N8 O14 P4 Pd2 S4 -","- C80 H72 F12 N8 O14 P4 Pd2 S4 -","- C320 H288 F48 N32 O56 P16 Pd8 S16 -","4","2","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","x-ray","0.71073","MoKα","","0.1532","0.1103","","","0.3137","0.3438","","","","","","1.175","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019340","16.3896","0.0002","18.3213","0.0002","21.5285","0.0003","87.68","0.001","78.927","0.001","71.11","0.001","6000.88","0.14","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C95 H108 F12 N11 O18.5 P4 Pd2 S4 -","- C95 H108 F12 N11 O18.5 P4 Pd2 S4 -","- C190 H216 F24 N22 O37 P8 Pd4 S8 -","2","1","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","x-ray","0.71073","MoKα","","0.1","0.078","","","0.2499","0.2707","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019341","23.0442","0.0005","19.7734","0.0004","25.654","0.0005","90","","106.841","0.001","90","","11188.2","0.4","173","0.1","173","0.1","","","","","","","synthesis as described","9","P 1 21/n 1","-P 2yn","14","","","","- C85.5 H81 Cl3 F12 N8 O16 P4 Pd2 S4 -","- C85.5 H81 Cl3 F12 N8 O16 P4 Pd2 S4 -","- C342 H324 Cl12 F48 N32 O64 P16 Pd8 S16 -","4","1","","Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A.","Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8410","8420","10.1039/c2dt30190c","","x-ray","0.71073","MoKα","","0.147","0.1129","","","0.3102","0.3338","","","","","","1.097","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019342","10.2094","0.0007","31.69","0.003","13.2083","0.0011","90","","96.695","0.007","90","","4244.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 Cl4 Co Fe2 N4 O2 -","- C45 H41 Cl4 Co Fe2 N4 O2 -","- C180 H164 Cl16 Co4 Fe8 N16 O8 -","4","1","","Gupta, Rakesh Kumar; Pandey, Rampal; Sharma, Sanjeev; Pandey, Daya Shankar","Synthesis of electroactive multinuclear dipyrrinato complexes and Fe(iii) assisted formation of α-alkoxy substituted 5-ferrocenyldipyrromethenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8556","8566","10.1039/c2dt30212h","","","0.71073","MoKα","","0.0973","0.0686","","","0.1399","0.1528","","","","","","1.09","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019343","8.2824","0.0007","10.4313","0.0009","18.7779","0.0018","90","","101.022","0.009","90","","1592.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Fe N2 O -","- C20 H18 Fe N2 O -","- C80 H72 Fe4 N8 O4 -","4","1","","Gupta, Rakesh Kumar; Pandey, Rampal; Sharma, Sanjeev; Pandey, Daya Shankar","Synthesis of electroactive multinuclear dipyrrinato complexes and Fe(iii) assisted formation of α-alkoxy substituted 5-ferrocenyldipyrromethenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8556","8566","10.1039/c2dt30212h","","","0.71073","MoKα","","0.0345","0.0297","","","0.072","0.0747","","","","","","1.043","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019344","23.296","0.002","15.0754","0.0008","13.9107","0.0014","90","","124.766","0.015","90","","4013.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Fe N2 O2 Pd -","- C24 H22 Fe N2 O2 Pd -","- C192 H176 Fe8 N16 O16 Pd8 -","8","1","","Gupta, Rakesh Kumar; Pandey, Rampal; Sharma, Sanjeev; Pandey, Daya Shankar","Synthesis of electroactive multinuclear dipyrrinato complexes and Fe(iii) assisted formation of α-alkoxy substituted 5-ferrocenyldipyrromethenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8556","8566","10.1039/c2dt30212h","","","0.71073","MoKα","","0.0657","0.056","","","0.1224","0.131","","","","","","1.182","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019345","41.504","0.003","6.5122","0.0004","12.9716","0.0009","90","","95.034","0.001","90","","3492.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 N6 Pt S4 -","- C13 H7 N6 Pt S4 -","- C104 H56 N48 Pt8 S32 -","8","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ren, Xiao-Ming; Tian, Zheng-Fang; Xie, Jingli","Observation of divergent isotope effects as well as metal ion-modulated T(C) and spin-canting nature in isostructural supramolecular magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7609","7619","10.1039/c2dt30215b","","","0.71073","MoKα","","0.0321","0.0229","","","0.0791","0.1117","","","","","","0.984","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019346","41.3","0.011","6.4777","0.0018","12.878","0.004","90","","94.933","0.007","90","","3432.5","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 D N6 Pt S4 -","- C13 H6 D N6 Pt S4 -","- C104 H48 D8 N48 Pt8 S32 -","8","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ren, Xiao-Ming; Tian, Zheng-Fang; Xie, Jingli","Observation of divergent isotope effects as well as metal ion-modulated T(C) and spin-canting nature in isostructural supramolecular magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7609","7619","10.1039/c2dt30215b","","","0.71073","MoKα","","0.0475","0.0335","","","0.0945","0.1253","","","","","","1.144","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019347","41.406","0.005","6.4709","0.0008","12.9791","0.0016","90","","93.78","0.002","90","","3470","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 D N6 Ni S4 -","- C13 H6 D N6 Ni S4 -","- C104 H48 D8 N48 Ni8 S32 -","8","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ren, Xiao-Ming; Tian, Zheng-Fang; Xie, Jingli","Observation of divergent isotope effects as well as metal ion-modulated T(C) and spin-canting nature in isostructural supramolecular magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7609","7619","10.1039/c2dt30215b","","","0.71073","MoKα","","0.0387","0.0332","","","0.0846","0.0873","","","","","","1.077","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019348","9.677","0.0002","15.227","0.0004","38.678","0.001","90","","93.197","0.001","90","","5690.4","0.2","193","","193","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H92 Mg2 N4 O4 Si8 -","- C34 H92 Mg2 N4 O4 Si8 -","- C136 H368 Mg8 N16 O16 Si32 -","4","1","","Deschner, Thomas; Klimpel, Michael; Tafipolsky, Maxim; Scherer, Wolfgang; Törnroos, Karl W; Anwander, Reiner","Postfunctionalization of periodic mesoporous silica SBA-1 with magnesium(ii) and iron(ii) silylamides.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7319","7326","10.1039/c2dt30219e","","","0.71073","MoKα","","0.0794","0.0651","","","0.1404","0.1491","","","","","","1.171","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019349","11.5735","0.0004","13.444","0.0005","22.1673","0.0008","90","","100.072","0.001","90","","3395.9","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Mg N2 Si4 -","- C32 H44 Mg N2 Si4 -","- C128 H176 Mg4 N8 Si16 -","4","1","","Deschner, Thomas; Klimpel, Michael; Tafipolsky, Maxim; Scherer, Wolfgang; Törnroos, Karl W; Anwander, Reiner","Postfunctionalization of periodic mesoporous silica SBA-1 with magnesium(ii) and iron(ii) silylamides.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7319","7326","10.1039/c2dt30219e","","","0.71073","MoKα","","0.0595","0.0461","","","0.0963","0.1015","","","","","","1.118","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019350","18.5529","0.0015","27.925","0.002","30.083","0.002","98.173","0.002","91.084","0.002","108.518","0.002","14594.5","1.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","U30Py10Ox5","","","- C10 K18 O211 P20 U30 -","- C10 K18 O211 P20 U30 -","- C20 K36 O422 P40 U60 -","2","1","","Ling, Jie; Ozga, Michael; Stoffer, Megan; Burns, Peter C.","Uranyl peroxide pyrophosphate cage clusters with oxalate and nitrate bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7278","7284","10.1039/c2dt30229b","","","0.71073","MoKα","","0.0816","0.0539","","","0.1245","0.1308","","","","","","0.976","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019351","32.866","0.005","18.829","0.003","57.375","0.009","90","","92.27","0.002","90","","35478","10","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","U38Py10Nt4","","","- K34 N8 O259 P20 U38 -","- K34 N8 O259 P20 U38 -","- K136 N32 O1036 P80 U152 -","4","0.5","","Ling, Jie; Ozga, Michael; Stoffer, Megan; Burns, Peter C.","Uranyl peroxide pyrophosphate cage clusters with oxalate and nitrate bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7278","7284","10.1039/c2dt30229b","","","0.71073","MoKα","","0.0779","0.054","","","0.1319","0.1383","","","","","","0.98","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019352","9.5238","0.0002","8.5809","0.0002","23.5778","0.0005","90","","94.443","0.001","90","","1921.05","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl2 Cu N5 O8 -","- C13 H17 Cl2 Cu N5 O8 -","- C52 H68 Cl8 Cu4 N20 O32 -","4","1","","Kumar, Pankaj; Gorai, Sukhamoy; Kumar Santra, Manas; Mondal, Biplab; Manna, Debasis","DNA binding, nuclease activity and cytotoxicity studies of Cu(ii) complexes of tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7573","7581","10.1039/c2dt30232b","","","0.71073","MoKα","","0.0553","0.0457","","","0.1287","0.138","","","","","","0.859","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019353","10.5042","0.0003","13.5441","0.0005","17.1378","0.0006","90","","90","","90","","2438.19","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 I4 P -","- C21 H21 I4 P -","- C84 H84 I16 P4 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.1094","0.0768","","","0.1784","0.2026","","","","","","1.176","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019354","13.2712","0.0005","12.1324","0.0004","14.9303","0.0006","90","","91.879","0.001","90","","2402.66","0.15","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 I4 P -","- C21 H21 I4 P -","- C84 H84 I16 P4 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.1371","0.088","","","0.1744","0.2038","","","","","","1.162","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019355","10.4993","0.0002","19.4335","0.0005","12.6047","0.0003","90","","105.104","0.002","90","","2482.99","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 I4 P -","- C21 H21 I4 P -","- C84 H84 I16 P4 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.1027","0.0635","","","0.1604","0.1877","","","","","","1.247","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019356","10.5855","0.0002","19.5733","0.0003","12.6174","0.0002","90","","104.979","0.001","90","","2525.41","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 As I4 -","- C21 H21 As I4 -","- C84 H84 As4 I16 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.075","0.0505","","","0.1288","0.1531","","","","","","1.108","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019357","12.2801","0.0002","38.8869","0.0009","9.13","0.0001","90","","90","","90","","4359.89","0.13","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C18 H15 As I4 -","- C18 H15 As I4 -","- C144 H120 As8 I32 -","8","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.1205","0.079","","","0.1669","0.1965","","","","","","1.18","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019358","10.133","0.0003","13.4817","0.0005","16.1088","0.0006","90","","90","","90","","2200.62","0.13","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br4 P -","- C21 H21 Br4 P -","- C84 H84 Br16 P4 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.0906","0.0625","","","0.1243","0.1406","","","","","","1.07","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019359","9.667","0.0005","13.6882","0.0012","17.9291","0.0014","88.702","0.004","83.271","0.002","71.752","0.004","2237.4","0.3","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H21 Br4 P -","- C21 H21 Br4 P -","- C84 H84 Br16 P4 -","4","2","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.1518","0.0962","","","0.215","0.2411","","","","","","1.034","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019360","10.0287","0.0004","18.4142","0.0008","12.8713","0.0007","90","","105.981","0.002","90","","2285.09","0.18","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Br4 P -","- C21 H21 Br4 P -","- C84 H84 Br16 P4 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.1564","0.0643","","","0.1453","0.1881","","","","","","0.999","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019361","10.188","0.0004","13.561","0.0008","16.319","0.001","90","","90","","90","","2254.6","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 As Br4 -","- C21 H21 As Br4 -","- C84 H84 As4 Br16 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.0517","0.04","","","0.082","0.0875","","","","","","1.073","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019362","11.256","0.0002","11.3603","0.0002","18.7646","0.0006","90","","106.834","0.001","90","","2296.64","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H21 As Br4 -","- C21 H21 As Br4 -","- C84 H84 As4 Br16 -","4","2","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.0775","0.0519","","","0.1195","0.1337","","","","","","1.051","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019363","10.085","0.0002","10.87","0.0002","20.3397","0.0005","90","","118.021","0.001","90","","1968.34","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 As Br4 -","- C18 H15 As Br4 -","- C72 H60 As4 Br16 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.081","0.0496","","","0.1293","0.153","","","","","","0.996","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019364","11.4562","0.0016","22.38","0.003","25.144","0.003","90","","90","","90","","6446.7","1.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H92 Cl3 K N2 O7 U -","- C59 H92 Cl3 K N2 O7 U -","- C236 H368 Cl12 K4 N8 O28 U4 -","4","1","","Vidjayacoumar, Balamurugan; Ilango, Sougandi; Ray, Matthew J.; Chu, Terry; Kolpin, Kristopher B.; Andreychuk, Nicholas R.; Cruz, Carlos A.; Emslie, David J. H.; Jenkins, Hilary A.; Britten, James F.","Rigid NON- and NSN-ligand complexes of tetravalent and trivalent uranium: comparison of U-OAr(2) and U-SAr(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8175","8189","10.1039/c2dt30247k","","","0.71073","MoKα","","0.0783","0.0453","","","0.0856","0.0972","","","","","","1.012","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019365","17.268","0.003","17.302","0.003","24.551","0.004","102.232","0.005","91.523","0.004","101.233","0.004","7014","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C126 H204 Cl6 Li2 N4 O16 S2 U2 -","- C114 H174 Cl6 Li N4 O10 S2 U2 -","- C228 H348 Cl12 Li2 N8 O20 S4 U4 -","2","1","","Vidjayacoumar, Balamurugan; Ilango, Sougandi; Ray, Matthew J.; Chu, Terry; Kolpin, Kristopher B.; Andreychuk, Nicholas R.; Cruz, Carlos A.; Emslie, David J. H.; Jenkins, Hilary A.; Britten, James F.","Rigid NON- and NSN-ligand complexes of tetravalent and trivalent uranium: comparison of U-OAr(2) and U-SAr(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8175","8189","10.1039/c2dt30247k","","","0.71073","MoKα","","0.1085","0.0606","","","0.1445","0.1583","","","","","","0.998","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019366","14.402","0.002","15.964","0.002","29.638","0.005","90","","94.854","0.003","90","","6789.7","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82.5 H108 Cl N2 O3 U -","- C58 H80 Cl N2 O3 U -","- C232 H320 Cl4 N8 O12 U4 -","4","1","","Vidjayacoumar, Balamurugan; Ilango, Sougandi; Ray, Matthew J.; Chu, Terry; Kolpin, Kristopher B.; Andreychuk, Nicholas R.; Cruz, Carlos A.; Emslie, David J. H.; Jenkins, Hilary A.; Britten, James F.","Rigid NON- and NSN-ligand complexes of tetravalent and trivalent uranium: comparison of U-OAr(2) and U-SAr(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8175","8189","10.1039/c2dt30247k","","","0.71073","MoKα","","0.1248","0.0781","","","0.1973","0.2135","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019367","24.5716","0.0011","20.4781","0.001","24.971","0.0012","90","","90","","90","","12564.9","1","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C59 H92 Cl2 Li N2 O6 S U -","- C59 H92 Cl2 Li N2 O6 S U -","- C472 H736 Cl16 Li8 N16 O48 S8 U8 -","8","1","","Vidjayacoumar, Balamurugan; Ilango, Sougandi; Ray, Matthew J.; Chu, Terry; Kolpin, Kristopher B.; Andreychuk, Nicholas R.; Cruz, Carlos A.; Emslie, David J. H.; Jenkins, Hilary A.; Britten, James F.","Rigid NON- and NSN-ligand complexes of tetravalent and trivalent uranium: comparison of U-OAr(2) and U-SAr(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8175","8189","10.1039/c2dt30247k","","","0.71073","MoKα","","0.0999","0.0441","","","0.0822","0.0981","","","","","","1.07","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019368","18.688","0.009","17.45","0.009","22.413","0.008","90","","121.58","0.03","90","","6227","5","185","","185","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H85 K2 La4 N2 O118.5 Si2 W22 -","- C12 H10 K2 La4 N2 O118.5 Si2 W22 -","- C24 H20 K4 La8 N4 O237 Si4 W44 -","2","0.5","","An, Haiyan; Zhang, Hua; Chen, Zhaofei; Li, Yangguang; Liu, Xuan; Chen, Hao","A series of three-dimensional architectures constructed from lanthanide-substituted polyoxometalosilicates and lanthanide cations or lanthanide-organic complexes as linkers.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8390","8400","10.1039/c2dt30251a","","","0.71073","MoKα","","0.1155","0.0674","","","0.1592","0.1877","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019369","18.6271","0.0012","17.6188","0.0011","22.2471","0.0011","90","","121.492","0.004","90","","6225.8","0.7","185","","185","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H120 K2 N2 Nd4 O136 Si2 W22 -","- C12 H10 K2 N2 Nd4 O136 Si2 W22 -","- C24 H20 K4 N4 Nd8 O272 Si4 W44 -","2","0.5","","An, Haiyan; Zhang, Hua; Chen, Zhaofei; Li, Yangguang; Liu, Xuan; Chen, Hao","A series of three-dimensional architectures constructed from lanthanide-substituted polyoxometalosilicates and lanthanide cations or lanthanide-organic complexes as linkers.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8390","8400","10.1039/c2dt30251a","","","0.71073","MoKα","","0.038","0.0312","","","0.0738","0.0769","","","","","","1.039","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019370","18.0652","0.001","17.6816","0.001","21.986","0.0009","90","","119.741","0.003","90","","6097.7","0.6","185","","185","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H124 K La5 O140 Si2 W22 -","- K La5 O140 Si2 W22 -","- K2 La10 O280 Si4 W44 -","2","0.5","","An, Haiyan; Zhang, Hua; Chen, Zhaofei; Li, Yangguang; Liu, Xuan; Chen, Hao","A series of three-dimensional architectures constructed from lanthanide-substituted polyoxometalosilicates and lanthanide cations or lanthanide-organic complexes as linkers.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8390","8400","10.1039/c2dt30251a","","","0.71073","MoKα","","0.0399","0.0319","","","0.0782","0.0818","","","","","","1.015","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019371","18.028","0.002","17.745","0.002","21.9366","0.0017","90","","119.746","0.006","90","","6093","1.1","185","","185","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Ce5 H120 K O138 Si2 W22 -","- Ce5 K O138 Si2 W22 -","- Ce10 K2 O276 Si4 W44 -","2","0.5","","An, Haiyan; Zhang, Hua; Chen, Zhaofei; Li, Yangguang; Liu, Xuan; Chen, Hao","A series of three-dimensional architectures constructed from lanthanide-substituted polyoxometalosilicates and lanthanide cations or lanthanide-organic complexes as linkers.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8390","8400","10.1039/c2dt30251a","","","0.71073","MoKα","","0.0701","0.0666","","","0.1533","0.155","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019372","30.649","0.012","16.858","0.007","21.701","0.009","90","","100.282","0.005","90","","11032","8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H79 Nd5 O117 Si2 W22 -","- Nd5 O117 Si2 W22 -","- Nd20 O468 Si8 W88 -","4","1","","An, Haiyan; Zhang, Hua; Chen, Zhaofei; Li, Yangguang; Liu, Xuan; Chen, Hao","A series of three-dimensional architectures constructed from lanthanide-substituted polyoxometalosilicates and lanthanide cations or lanthanide-organic complexes as linkers.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8390","8400","10.1039/c2dt30251a","","","0.71073","MoKα","","0.1576","0.0765","","","0.1463","0.1827","","","","","","1.032","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019373","18.64","0.0012","17.7318","0.0012","22.3213","0.0011","90","","121.5","0.004","90","","6290.5","0.7","185","","185","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H118 Ce4 K2 N2 O135 Si2 W22 -","- C12 H10 Ce4 K2 N2 O135 Si2 W22 -","- C24 H20 Ce8 K4 N4 O270 Si4 W44 -","2","0.5","","An, Haiyan; Zhang, Hua; Chen, Zhaofei; Li, Yangguang; Liu, Xuan; Chen, Hao","A series of three-dimensional architectures constructed from lanthanide-substituted polyoxometalosilicates and lanthanide cations or lanthanide-organic complexes as linkers.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8390","8400","10.1039/c2dt30251a","","","0.71073","MoKα","","0.0408","0.0338","","","0.0812","0.0847","","","","","","1.023","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019374","8.6412","0.0009","19.2016","0.0017","21.961","0.002","90","","91.718","0.012","90","","3642.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Cl2 N7 O7 Ru -","- C36 H37 Cl2 N7 O7 Ru -","- C144 H148 Cl8 N28 O28 Ru4 -","4","1","","Sathyaraj, Gopal; Kiruthika, Mathiyalagan; Weyhermüller, Thomas; Nair, Balachandran Unni","Ruthenium(ii) [3 + 2 + 1] mixed ligand complexes: substituent effect on photolability, photooxidation of bases, photocytotoxicity and photonuclease activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8460","8471","10.1039/c2dt30260h","","","0.71073","MoKα","","0.0446","0.0318","","","0.0738","0.0806","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019375","11.558","0.003","14.646","0.003","20.721","0.004","90","","94.29","0.03","90","","3497.8","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cl2 Fe O P2 Pd -","- C32 H56 Cl2 Fe O P2 Pd -","- C128 H224 Cl8 Fe4 O4 P8 Pd4 -","4","1","","Blanco, Carolina; Godard, Cyril; Zangrando, Ennio; Ruiz, Aurora; Claver, Carmen","Room temperature asymmetric Pd-catalyzed methoxycarbonylation of norbornene: highly selective catalysis and HP-NMR studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6980","6991","10.1039/c2dt30267e","","","0.71073","Mokα","","0.1008","0.051","","","0.1159","0.1354","","","","","","0.894","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019376","15.151","0.003","17.18","0.004","21.361","0.004","90","","90","","90","","5560","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H43 Br P2 Pd -","- C28 H43 Br P2 Pd -","- C224 H344 Br8 P16 Pd8 -","8","1","","Blanco, Carolina; Godard, Cyril; Zangrando, Ennio; Ruiz, Aurora; Claver, Carmen","Room temperature asymmetric Pd-catalyzed methoxycarbonylation of norbornene: highly selective catalysis and HP-NMR studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6980","6991","10.1039/c2dt30267e","","","0.71073","MoKα","","0.0852","0.0395","","","0.0959","0.1079","","","","","","0.86","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019377","22.656","0.007","8.645","0.002","15.634","0.004","90","","102.471","0.006","90","","2989.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N4 Ni O24 Pr2 S2 -","- C18 H24 N4 Ni O24 Pr2 S2 -","- C72 H96 N16 Ni4 O96 Pr8 S8 -","4","0.5","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.0281","0.0246","","","0.063","0.064","","","","","","0.997","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019378","22.704","0.008","8.59","0.002","15.513","0.004","90","","102.45","0.006","90","","2954.3","1.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N4 Ni O24 S2 Sm2 -","- C18 H24 N4 Ni O24 S2 Sm2 -","- C72 H96 N16 Ni4 O96 S8 Sm8 -","4","0.5","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.0249","0.0206","","","0.0493","0.05","","","","","","0.967","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019379","22.477","0.004","8.7351","0.0017","15.536","0.003","90","","102.85","0.03","90","","2973.9","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Eu2 N4 Ni O24 S2 -","- C18 H22 Eu2 N4 Ni O24 S2 -","- C72 H88 Eu8 N16 Ni4 O96 S8 -","4","0.5","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.054","0.0393","","","0.0627","0.0662","","","","","","1.125","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019380","22.339","0.004","8.7332","0.0017","15.413","0.003","90","","102.23","0.03","90","","2938.7","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Gd2 N4 Ni O24 S2 -","- C18 H22 Gd2 N4 Ni O24 S2 -","- C72 H88 Gd8 N16 Ni4 O96 S8 -","4","0.5","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.0329","0.0287","","","0.067","0.0694","","","","","","1.091","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019381","22.761","0.009","8.521","0.003","15.455","0.005","90","","102.513","0.009","90","","2926.2","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N4 Ni O24 S2 Tb2 -","- C18 H24 N4 Ni O24 S2 Tb2 -","- C72 H96 N16 Ni4 O96 S8 Tb8 -","4","0.5","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.0278","0.0251","","","0.0591","0.0596","","","","","","0.975","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019382","22.529","0.009","8.625","0.003","15.467","0.005","90","","102.641","0.008","90","","2932.6","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Dy2 N4 Ni O24 S2 -","- C18 H24 Dy2 N4 Ni O24 S2 -","- C72 H96 Dy8 N16 Ni4 O96 S8 -","4","0.5","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.029","0.0243","","","0.0585","0.06","","","","","","1.012","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019383","22.488","0.002","8.6668","0.0009","15.4291","0.0016","90","","102.904","0.002","90","","2931.2","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Ho2 N4 Ni O24 S2 -","- C18 H24 Ho2 N4 Ni O24 S2 -","- C72 H96 Ho8 N16 Ni4 O96 S8 -","4","0.5","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.059","0.0429","","","0.0694","0.0735","","","","","","1.123","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019384","15.42","0.003","8.601","0.0017","24.344","0.008","90","","115.62","0.02","90","","2911.2","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Er2 N4 Ni O24 S2 -","- C18 H24 Er2 N4 Ni O24 S2 -","- C72 H96 Er8 N16 Ni4 O96 S8 -","4","1","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.0331","0.0277","","","0.0706","0.0724","","","","","","1.079","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019385","15.408","0.003","8.5449","0.0013","24.386","0.004","90","","115.573","0.009","90","","2896.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 Ni O24 S2 Yb2 -","- C18 H24 N4 Ni O24 S2 Yb2 -","- C72 H96 N16 Ni4 O96 S8 Yb8 -","4","1","","Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7670","7680","10.1039/c2dt30277b","","","0.71073","MoKα","","0.0294","0.0289","","","0.0732","0.0737","","","","","","1.183","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019386","10.6674","0.0009","10.7597","0.0002","12.1674","0.0012","102.721","0.009","113.424","0.005","106.954","0.001","1132.32","0.18","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H64 In2 P2 Si4 -","- C40 H64 In2 P2 Si4 -","- C40 H64 In2 P2 Si4 -","1","0.5","","Banerjee, Chiranjib; Hughes, David L.; Bochmann, Manfred; Nann, Thomas","InP nanowires from surfactant-free thermolysis of single molecule precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7244","7248","10.1039/c2dt30283g","","","0.71073","Mo-Kα","","0.0243","0.0203","","","0.0522","0.0529","","","","","","1.034","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019387","10.9146","0.0003","16.3913","0.0005","24.2331","0.0007","90","","101.803","0.001","90","","4243.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H120 Al2 N8 O14 Pd -","- C92 H120 Al2 N8 O14 Pd -","- C184 H240 Al4 N16 O28 Pd2 -","2","0.5","","Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor","Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8086","8092","10.1039/c2dt30285c","","","0.71073","MoKα","","0.097","0.0567","","","0.0814","0.0838","","","","","","2","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7019388","11.9403","0.0006","12.7271","0.0007","17.7934","0.0009","98.66","0.002","103.176","0.002","106.624","0.002","2454.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H152 Al2 N8 O12 -","- C108 H152 Al2 N8 O12 -","- C108 H152 Al2 N8 O12 -","1","0.5","","Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor","Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8086","8092","10.1039/c2dt30285c","","","0.71073","MoKα","","0.0836","0.0643","","","0.0858","0.0863","","","","","","3.445","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7019389","22.511","0.004","10.8586","0.0019","28.663","0.005","90","","109.657","0.002","90","","6598","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H80 Al2 Fe N8 O8 -","- C72 H80 Al2 Fe N8 O8 -","- C288 H320 Al8 Fe4 N32 O32 -","4","0.5","","Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor","Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8086","8092","10.1039/c2dt30285c","","","0.71073","MoKα","","0.0931","0.0537","","","0.0804","0.0866","","","","","","1.423","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7019390","23.942","0.0006","27.0271","0.0006","15.5154","0.0003","90","","90","","90","","10039.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C104 H128 Al2 Fe N14 O20.5 -","- C104 H128 Al2 Fe N14 O20.5 -","- C416 H512 Al8 Fe4 N56 O82 -","4","1","","Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor","Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8086","8092","10.1039/c2dt30285c","","","0.71073","MoKα","","0.0877","0.057","","","0.0558","0.0577","","","","","","1.681","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7019391","18.5492","0.0017","19.7138","0.0017","20.515","0.002","90","","102.794","0.003","90","","7315.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76.8 H90.6 Al2 N8 O9.45 Pd -","- C76.8 H90.6 Al2 N8 O9.45 Pd -","- C307.2 H362.4 Al8 N32 O37.8 Pd4 -","4","1","","Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor","Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8086","8092","10.1039/c2dt30285c","","","0.71073","MoKα","","0.0911","0.0504","","","0.0681","0.0698","","","","","","1.788","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7019392","12.0569","0.0006","18.5625","0.001","18.9548","0.0011","78.418","0.003","76.313","0.003","76.094","0.003","3954.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H70 Al2 N8 O8 -","- C68 H70 Al2 N8 O8 -","- C136 H140 Al4 N16 O16 -","2","1","","Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor","Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8086","8092","10.1039/c2dt30285c","","","0.71073","MoKα","","0.0654","0.0515","","","0.1498","0.1566","","","","","","1.096","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019393","14.7358","0.0011","20.2952","0.0015","33.354","0.003","77.202","0.002","88.031","0.002","74.307","0.002","9361.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H114 Al2 Fe N10 O8 -","- C94 H114 Al2 Fe N10 O8 -","- C376 H456 Al8 Fe4 N40 O32 -","4","2","","Kelley, Paul; Radlauer, Madalyn R.; Yanez, Abraham J.; Day, Michael W.; Agapie, Theodor","Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8086","8092","10.1039/c2dt30285c","","","0.71073","MoKα","","0.1279","0.065","","","0.1428","0.1609","","","","","","1.009","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019394","9.2061","0.0007","10.7316","0.0008","13.5466","0.001","90.049","0.001","108.994","0.001","95.498","0.001","1258.93","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H38 Co2 O4 -","- C26 H38 Co2 O4 -","- C52 H76 Co4 O8 -","2","1","","Hung-Low, Fernando; Tye, Jesse W.; Cheng, Shannon; Bradley, Christopher A.","sp(2) C-H activation of dimethyl fumarate by a [(Cp*Co)(2)-μ-(η(4) : η(4)-toluene)] complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8190","8197","10.1039/c2dt30288h","","","0.71073","MoKα","","0.0329","0.0266","","","0.0671","0.0712","","","","","","1.035","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019395","14.986","0.004","14.019","0.004","9.855","0.003","90","","90","","90","","2070.4","1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H32 Co O4 P -","- C19 H32 Co O4 P -","- C76 H128 Co4 O16 P4 -","4","1","","Hung-Low, Fernando; Tye, Jesse W.; Cheng, Shannon; Bradley, Christopher A.","sp(2) C-H activation of dimethyl fumarate by a [(Cp*Co)(2)-μ-(η(4) : η(4)-toluene)] complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8190","8197","10.1039/c2dt30288h","","","0.71073","MoKα","","0.0379","0.0296","","","0.0563","0.0597","","","","","","1.029","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019396","8.331","0.004","9.448","0.004","11.207","0.005","86.917","0.004","83.484","0.004","78.249","0.004","857.6","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 Co O5 -","- C17 H23 Co O5 -","- C34 H46 Co2 O10 -","2","1","","Hung-Low, Fernando; Tye, Jesse W.; Cheng, Shannon; Bradley, Christopher A.","sp(2) C-H activation of dimethyl fumarate by a [(Cp*Co)(2)-μ-(η(4) : η(4)-toluene)] complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8190","8197","10.1039/c2dt30288h","","","0.71073","MoKα","","0.0519","0.0405","","","0.1064","0.1137","","","","","","1.042","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019397","9.246","0.003","10.331","0.003","18.694","0.005","90","","90","","90","","1785.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Bi Br5 N2 O2 -","- C8 H20 Bi Br5 N2 O2 -","- C32 H80 Bi4 Br20 N8 O8 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej","[NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7285","7294","10.1039/c2dt30291h","","","0.71073","MoKα","","0.0254","0.0205","","","0.0367","0.0372","","","","","","0.969","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019398","7.583","0.003","11.466","0.003","19.302","0.005","90","","90","","90","","1678.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Bi Cl5 N2 O2 -","- C8 H20 Bi Cl5 N2 O2 -","- C32 H80 Bi4 Cl20 N8 O8 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej","[NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7285","7294","10.1039/c2dt30291h","","","0.71073","MoKα","","0.0149","0.0141","","","0.032","0.0321","","","","","","1.028","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019399","9.274","0.003","10.325","0.003","18.472","0.005","90","","90","","90","","1768.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Br5 N2 O2 Sb -","- C8 H20 Br5 N2 O2 Sb -","- C32 H80 Br20 N8 O8 Sb4 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej","[NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7285","7294","10.1039/c2dt30291h","","","0.71073","MoKα","","0.0224","0.0173","","","0.0273","0.0278","","","","","","0.919","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019400","9.026","0.003","10.12","0.003","17.806","0.005","90","","90","","90","","1626.5","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Cl5 N2 O2 Sb -","- C8 H20 Cl5 N2 O2 Sb -","- C32 H80 Cl20 N8 O8 Sb4 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej","[NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7285","7294","10.1039/c2dt30291h","","","0.71073","MoKα","","0.0174","0.0166","","","0.0388","0.039","","","","","","1.053","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019401","11.164","0.0006","11.6148","0.0006","25.4263","0.0013","90","","96.37","0.001","90","","3276.6","0.3","89","2","89","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(ONO)HAlBr.THF","","","- C32 H49 Al Br N O3 -","- C32 H49 Al Br N O3 -","- C128 H196 Al4 Br4 N4 O12 -","4","1","","Szigethy, Géza; Heyduk, Alan F.","Aluminum complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8144","8152","10.1039/c2dt30295k","","","0.71073","MoKα","","0.0271","0.0235","","","0.0613","0.0629","","","","","","1.05","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019402","15.3772","0.0008","19.3065","0.0009","17.0976","0.0008","90","","93.796","0.001","90","","5064.8","0.4","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(ONO)Al(tetrachloroquinone)(py)","","","- C43 H55 Al Cl4 N2 O5 -","- C43 H55 Al Cl4 N2 O5 -","- C172 H220 Al4 Cl16 N8 O20 -","4","1","","Szigethy, Géza; Heyduk, Alan F.","Aluminum complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8144","8152","10.1039/c2dt30295k","","","0.71073","MoKα","","0.0748","0.046","","","0.1061","0.1149","","","","","","1.012","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019403","13.9047","0.0013","18.0625","0.0017","19.4014","0.0018","90","","93.15","0.001","90","","4865.4","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(ONO)Al(py)(pyrene-quinone)","","","- C57 H69 Al N2 O6 -","- C57 H69 Al N2 O6 -","- C228 H276 Al4 N8 O24 -","4","1","","Szigethy, Géza; Heyduk, Alan F.","Aluminum complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8144","8152","10.1039/c2dt30295k","","","0.71073","MoKα","","0.1023","0.054","","","0.1195","0.1395","","","","","","1.01","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019404","9.7048","0.0003","19.0132","0.0006","24.0765","0.0008","90","","95.92","","90","","4418.9","0.2","89","2","89","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(ONOq)AlCl(Ph2acac)","","","- C49 H57 Al Cl N O4 -","- C49 H57 Al Cl N O4 -","- C196 H228 Al4 Cl4 N4 O16 -","4","1","","Szigethy, Géza; Heyduk, Alan F.","Aluminum complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8144","8152","10.1039/c2dt30295k","","","0.71073","MoKα","","0.0459","0.0358","","","0.0873","0.0931","","","","","","1.03","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019405","9.624","0.0012","44.359","0.006","11.7793","0.0011","90","","114.822","0.008","90","","4564.1","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Ni P Sn2 -","- C49 H57 Ni P Sn2 -","- C196 H228 Ni4 P4 Sn8 -","4","1","","Johnson, Samuel A.; Doster, Meghan E.; Matthews, Jacob; Shoshani, Manar; Thibodeau, Michelle; Labadie, Amanda; Hatnean, Jillian A.","A mechanistic investigation of carbon-hydrogen bond stannylation: synthesis and characterization of nickel catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8135","8143","10.1039/c2dt30310h","","","0.71073","MoKα","","0.0735","0.0639","","","0.118","0.1212","","","","","","1.274","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019406","17.9708","0.0002","19.0228","0.0003","19.2837","0.0003","73.327","0.001","67.465","0.001","66.26","0.001","5504.66","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C101 H129 N9 O17 -","- C101 H129 N9 O17 -","- C202 H258 N18 O34 -","2","1","","Guillet, Gary L.; Sloane, Forrest T.; Dumont, Matthieu F.; Abboud, Khalil A.; Murray, Leslie J.","Synthesis and characterization of a tris(2-hydroxyphenyl)methane-based cryptand and its triiron(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7866","7869","10.1039/c2dt30312d","","","1.54178","CuKα","","0.1096","0.0603","","","0.1448","0.1609","","","","","","0.837","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019407","22.8525","0.0016","22.8525","0.0016","22.8525","0.0016","90","","90","","90","","11934.4","1.4","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105.5 H117 Cl6 Fe3 K3 N15.5 O13 -","- C100.13 H107 Cl6 Fe3 K3 N15.48 O12 -","- C400.52 H428 Cl24 Fe12 K12 N61.92 O48 -","4","0.333333","","Guillet, Gary L.; Sloane, Forrest T.; Dumont, Matthieu F.; Abboud, Khalil A.; Murray, Leslie J.","Synthesis and characterization of a tris(2-hydroxyphenyl)methane-based cryptand and its triiron(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7866","7869","10.1039/c2dt30312d","","","0.71073","MoKα","","0.0794","0.0597","","","0.1588","0.1684","","","","","","1.078","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019408","30.707","0.0019","13.9512","0.0005","23.1435","0.0014","90","","128.076","0.006","90","","7804.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H90 N16 O49 Sb4 V16 Zn2 -","- C24 H76 N16 O49 Sb4 V16 Zn2 -","- C96 H304 N64 O196 Sb16 V64 Zn8 -","4","0.5","","Antonova, Elena; Näther, Christian; Kögerler, Paul; Bensch, Wolfgang","A C(2)-symmetric antimonato polyoxovanadate cluster [V(16)Sb(4)O(42)(H(2)O)](8-) derived from the {V(18)O(42)} archetype.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6957","6962","10.1039/c2dt30319a","","","0.71073","MoKα","","0.0689","0.0427","","","0.0852","0.0952","","","","","","1.005","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019409","13.921","0.001","8.7218","0.0006","16.0158","0.0012","90","","99.75","0.001","90","","1916.5","0.2","185","2","185","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl3 F3 N O2 Ti -","- C17 H13 Cl3 F3 N O2 Ti -","- C68 H52 Cl12 F12 N4 O8 Ti4 -","4","1","","Tao, Ping; Tang, Xiao-Yan; Li, Bai-Xiang; Liu, Jing-Yu; Li, Yue-Sheng","Synthesis and characterization of novel titanium complexes bearing [ONX]-type β-enaminoketonato ligands and their application to ethylene (co)polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7390","7398","10.1039/c2dt30326d","","","0.71073","MoKα","","0.0379","0.0311","","","0.0791","0.0837","","","","","","1.039","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019410","18.5534","0.0013","24.1288","0.0017","10.7907","0.0007","90","","104.442","0.001","90","","4678","0.6","185","2","185","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl3 F3 N O S Ti -","- C20 H19 Cl3 F3 N O S Ti -","- C160 H152 Cl24 F24 N8 O8 S8 Ti8 -","8","2","","Tao, Ping; Tang, Xiao-Yan; Li, Bai-Xiang; Liu, Jing-Yu; Li, Yue-Sheng","Synthesis and characterization of novel titanium complexes bearing [ONX]-type β-enaminoketonato ligands and their application to ethylene (co)polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7390","7398","10.1039/c2dt30326d","","","0.71073","MoKα","","0.0675","0.0475","","","0.1129","0.1219","","","","","","1.049","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019411","9.0938","0.0005","18.1497","0.0011","17.1168","0.001","90","","92.954","0.001","90","","2821.4","0.3","185","2","185","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl3 F3 N O P Ti -","- C28 H20 Cl3 F3 N O P Ti -","- C112 H80 Cl12 F12 N4 O4 P4 Ti4 -","4","1","","Tao, Ping; Tang, Xiao-Yan; Li, Bai-Xiang; Liu, Jing-Yu; Li, Yue-Sheng","Synthesis and characterization of novel titanium complexes bearing [ONX]-type β-enaminoketonato ligands and their application to ethylene (co)polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7390","7398","10.1039/c2dt30326d","","","0.71073","MoKα","","0.058","0.0377","","","0.093","0.1041","","","","","","1.032","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019412","37.165","0.002","9.1989","0.0005","19.2847","0.0011","90","","95.282","0.001","90","","6565","0.6","185","2","185","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cl2 F6 N2 O4 Ti -","- C34 H26 Cl2 F6 N2 O4 Ti -","- C272 H208 Cl16 F48 N16 O32 Ti8 -","8","1","","Tao, Ping; Tang, Xiao-Yan; Li, Bai-Xiang; Liu, Jing-Yu; Li, Yue-Sheng","Synthesis and characterization of novel titanium complexes bearing [ONX]-type β-enaminoketonato ligands and their application to ethylene (co)polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7390","7398","10.1039/c2dt30326d","","","0.71073","MoKα","","0.1243","0.0746","","","0.1706","0.1926","","","","","","1.202","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019413","14.187","0.003","12.1","0.006","13.961","0.004","90","","100.43","0.01","90","","2357","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O5 Ru S -","- C23 H27 N O5 Ru S -","- C92 H108 N4 O20 Ru4 S4 -","4","1","","Chatterjee, Sudipta; Mandal, Sutanuva; Samanta, Subhas; Goswami, Sreebrata","Bis(acetonitrile)bis(acetylacetonato)ruthenium(iii) mediated chemical transformations of coordinated 2-methylthioanilide.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7057","7066","10.1039/c2dt30344b","","","0.71073","MoKα","","0.0668","0.047","","","0.1142","0.1637","","","","","","1.01","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019414","12.513","0.003","11.347","0.005","15.814","0.006","90","","122.29","0.02","90","","1898.1","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N O5 Ru S -","- C18 H22 N O5 Ru S -","- C72 H88 N4 O20 Ru4 S4 -","4","1","","Chatterjee, Sudipta; Mandal, Sutanuva; Samanta, Subhas; Goswami, Sreebrata","Bis(acetonitrile)bis(acetylacetonato)ruthenium(iii) mediated chemical transformations of coordinated 2-methylthioanilide.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7057","7066","10.1039/c2dt30344b","","","0.71073","MoKα","","0.0863","0.0558","","","0.1194","0.1388","","","","","","1.016","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019415","10.4814","0.0007","14.111","0.0009","14.4284","0.0009","111.22","0.001","91.773","0.002","90.499","0.002","1987.9","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 N2 O8 Ru2 S2 -","- C36 H44 N2 O8 Ru2 S2 -","- C72 H88 N4 O16 Ru4 S4 -","2","1","","Chatterjee, Sudipta; Mandal, Sutanuva; Samanta, Subhas; Goswami, Sreebrata","Bis(acetonitrile)bis(acetylacetonato)ruthenium(iii) mediated chemical transformations of coordinated 2-methylthioanilide.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7057","7066","10.1039/c2dt30344b","","","0.71073","MoKα","","0.0531","0.0408","","","0.1007","0.1154","","","","","","1.062","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019416","11.42","0.007","31.938","0.001","5.837","0.002","90","","90","","90","","2128.9","1.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H24 N O4 Ru S -","- C22 H24 N O4 Ru S -","- C88 H96 N4 O16 Ru4 S4 -","4","1","","Chatterjee, Sudipta; Mandal, Sutanuva; Samanta, Subhas; Goswami, Sreebrata","Bis(acetonitrile)bis(acetylacetonato)ruthenium(iii) mediated chemical transformations of coordinated 2-methylthioanilide.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7057","7066","10.1039/c2dt30344b","","","0.71073","MoKα","","0.0685","0.044","","","0.0609","0.0699","","","","","","1.026","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019417","11.1436","0.0007","23.4283","0.0013","9.3583","0.0006","90","","115.011","0.001","90","","2214.1","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N6 Pt -","- C26 H22 N6 Pt -","- C104 H88 N24 Pt4 -","4","0.5","","Hanson, Kenneth; Roskop, Luke; Patel, Niral; Griffe, Laurent; Djurovich, Peter I.; Gordon, Mark S.; Thompson, Mark E.","Photophysical and electrochemical properties of 1,3-bis(2-pyridylimino)isoindolate platinum(ii) derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8648","8659","10.1039/c2dt30354j","","","0.71073","MoKα","","0.0221","0.0186","","","0.0427","0.0452","","","","","","1.143","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019418","14.7635","0.0012","29.457","0.003","17.5708","0.0016","90","","90.031","0.008","90","","7641.3","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis-[1,3-di(1,2,4-triazol-4-yl)adamantane]diaquacadmium(II) Tetrabromocadmate(II) Dihydrate","","- C56 H84 Br8 Cd4 N24 O6 -","- C56 H84 Br8 Cd4 N24 O6 -","- C224 H336 Br32 Cd16 N96 O24 -","4","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.1274","0.054","","","0.0959","0.1132","","","","","","0.902","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7019419","10.3397","0.0002","11.3871","0.0002","17.8908","0.0005","95.632","0.001","102.961","0.001","115.43","0.001","1808.08","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","tetrakis-[1,3-di(1,2,4-triazol-4-yl)adamantane]cadmium(II) bis-triiodocadmate(II) Tetrahydrate","","- C56 H80 Cd3 I6 N24 O4 -","- C56 H80 Cd3 I6 N24 O4 -","- C56 H80 Cd3 I6 N24 O4 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0327","0.0267","","","0.0604","0.0621","","","","","","1.031","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7019420","6.5192","0.0006","15.4818","0.0011","16.9913","0.0012","89.23","0.009","84.607","0.01","85.574","0.009","1702.2","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","bis-(1,3-di(1,2,4-triazol-4-yl)adamantane)disilver(i) dinitrate Dihydrate","bis-[1,3-di(1,2,4-triazol-4-yl)adamantane]disilver(I) dinitrate Dihydrate","","- C28 H40 Ag2 N14 O8 -","- C28 H40 Ag2 N14 O8 -","- C56 H80 Ag4 N28 O16 -","2","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0673","0.0409","","","0.0811","0.0854","","","","","","0.9","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019421","11.5603","0.0002","11.5603","0.0002","53.0233","0.0019","90","","90","","120","","6136.7","0.3","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","bis-(1,3,5-tri(1,2,4-triazol-4-yl)adamantane)cadmium(ii) Nitrate Hexahydrate","bis-[1,3,5-tri(1,2,4-triazol-4-yl)adamantane]cadmium(II) Nitrate Hexahydrate","","- C32 H50 Cd N20 O12 -","- C32 H38 Cd N19.9998 O11.9994 -","- C192 H228 Cd6 N119.999 O71.9964 -","6","0.166667","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.039","0.0304","","","0.0779","0.0818","","","","","","1.092","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019422","11.3552","0.0011","11.3552","0.0011","54.979","0.003","90","","90","","120","","6139.3","0.9","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","bis-[1,3,5-tri(1,2,4-triazol-4-yl)adamantane]cadmium(II) Tetrachlorocadmate(II) Trihydrate","","- C32 H44 Cd2 Cl4 N18 O3 -","- C32 H44 Cd2 Cl4 N18 O3 -","- C192 H264 Cd12 Cl24 N108 O18 -","6","0.166667","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0773","0.044","","","0.1088","0.1223","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7019423","38.1357","0.0013","22.2267","0.0004","27.8475","0.0011","90","","119.357","0.006","90","","20573.2","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris-(1,3,5-tri(1,2,4-triazol-4-yl)-adamantane)-di(mu3- hydroxido)-pentasulfato triaqua hexacopper(ii) Hexacosahydrate","tris-[1,3,5-tri(1,2,4-triazol-4-yl)-adamantane]- di(mu3-hydroxido)-pentasulfato triaqua hexacopper(II) Hexacosahydrate","","- C48 H117 Cu6 N27 O51 S5 -","- C48 H63 Cu6 N27 O41 S5 -","- C384 H504 Cu48 N216 O328 S40 -","8","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.1265","0.0635","","","0.1457","0.1571","","","","","","0.792","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019424","11.4936","0.0008","11.4936","0.0008","57.216","0.002","90","","90","","120","","6545.8","0.7","213","2","213","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","bis-[3,5,7-tri(1,2,4-triazol-4-yl)-1-azaadamantane]cadmium(II) Tetraiodocadmate(II) Trihydrate","","- C30 H42 Cd2 I4 N20 O3 -","- C30 H42 Cd2 I4 N20 O3 -","- C180 H252 Cd12 I24 N120 O18 -","6","0.166667","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0608","0.0455","","","0.1187","0.1245","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7019425","12.1931","0.0007","17.2484","0.0012","22.1135","0.0011","90","","90","","90","","4650.7","0.5","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis-[3,5,7-tri(1,2,4-triazol-4-yl)-1-azaadamantane]-dihydroxy-tetraaqua- tricopper(II) Perchlorate","","- C30 H46 Cl4 Cu3 N20 O22 -","- C30 H46 Cl4 Cu3 N20 O22 -","- C120 H184 Cl16 Cu12 N80 O88 -","4","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0625","0.0432","","","0.1053","0.1096","","","","","","0.914","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019426","21.8567","0.0015","11.5525","0.0009","21.4604","0.0014","90","","117.611","0.004","90","","4801.6","0.6","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis-[3,5,7-tri(1,2,4-triazol-4-yl)-1-azaadamantane]-triaqua- dicopper(II) Sulfate Heptahydrate","","- C30 H56 Cu2 N20 O18 S2 -","- C30 H56 Cu2 N20 O18 S2 -","- C120 H224 Cu8 N80 O72 S8 -","4","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0569","0.0355","","","0.0796","0.0838","","","","","","0.879","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7019427","18.5633","0.0017","18.5633","0.0017","14.3967","0.0013","90","","90","","120","","4296.4","0.7","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","tris-[3,5,7-tri(1,2,4-triazol-4-yl)-1-azaadamantane]- dicadmium(II) Chloride Octacosahydrate","","- C45 H110 Cd2 Cl4 N30 O28 -","- C45 H54 Cd2 Cl N30 O3 -","- C90 H108 Cd4 Cl2 N60 O6 -","2","0.166667","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.1148","0.0655","","","0.1426","0.1566","","","","","","0.82","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7019428","11.9308","0.0012","18.9239","0.0012","22.4189","0.0015","90","","90","","90","","5061.7","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[1,3,5,7-tetrakis(1,2,4-triazol-4-yl)adamantane]silver(I) Nitrate, Solvate with 3.5 Water","","- C18 H27 Ag N13 O6.5 -","- C18 H27 Ag N13 O6.5 -","- C144 H216 Ag8 N104 O52 -","8","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.1094","0.0541","","","0.1325","0.1534","","","","","","1.031","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019429","17.1623","0.0013","13.156","0.0008","12.8631","0.0008","90","","90","","90","","2904.3","0.3","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(1,3,5,7-tetrakis(1,2,4-triazol-4- yl)adamantane)aquacopper(ii) Perchlorate Trihydrate","[1,3,5,7-tetrakis(1,2,4-triazol-4-yl)adamantane]aquacopper(II) Perchlorate Trihydrate","","- C18 H28 Cl2 Cu N12 O12 -","- C18 H22 Cl2 Cu N12 O12 -","- C72 H88 Cl8 Cu4 N48 O48 -","4","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.1106","0.0802","","","0.1985","0.2135","","","","","","1.08","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019430","28.2333","0.0005","8.7809","0.0002","11.3833","0.0002","90","","90","","90","","2822.08","0.1","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","bis-[1,3,5,7-tetra(1,2,4-triazol-4-yl)adamantane]-hexachloro- tricadmium(II) Nonahydrate","","- C36 H58 Cd3 Cl6 N24 O9 -","- C36 H40 Cd3 Cl6 N24 O9 -","- C72 H80 Cd6 Cl12 N48 O18 -","2","0.25","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0643","0.0556","","","0.1281","0.1314","","","","","","1.138","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7019431","5.836","0.0006","8.5491","0.001","10.8312","0.0011","68.177","0.01","80.886","0.008","71.595","0.01","475.49","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(NO-NO-AlMe3)2","","","- C16 H30 Al2 N2 O2 -","- C16 H30 Al2 N2 O2 -","- C16 H30 Al2 N2 O2 -","1","0.5","","Aprile, Antonino; Wilson, David D. J.; Richards, Anne F.","The synthesis and characterization of mono and dinuclear group 13 complexes derived from a Schiff base.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8550","8555","10.1039/c2dt30375b","","","0.71073","MoKα","","0.0415","0.0354","","","0.0962","0.1017","","","","","","1.027","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019432","12.784","0.001","14.1352","0.0009","29.117","0.002","90","","97.139","0.007","90","","5220.8","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(((NO)AlCl(thf)2)I(thf)2)","","","- C20 H34 Al I N2 O4 -","- C20 H34 Al I N2 O4 -","- C160 H272 Al8 I8 N16 O32 -","8","1","","Aprile, Antonino; Wilson, David D. J.; Richards, Anne F.","The synthesis and characterization of mono and dinuclear group 13 complexes derived from a Schiff base.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8550","8555","10.1039/c2dt30375b","","","1.54184","CuKα","","0.0544","0.0483","","","0.1395","0.1458","","","","","","1.071","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019433","6.96","0.0002","7.3178","0.0003","11.7649","0.0004","80.036","0.003","88.925","0.003","75.353","0.003","570.79","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(NO-NO Ga(Me2)(Cl))2","","","- C16 H32 Cl2 Ga2 N2 O2 -","- C16 H32 Cl2 Ga2 N2 O2 -","- C16 H32 Cl2 Ga2 N2 O2 -","1","0.5","","Aprile, Antonino; Wilson, David D. J.; Richards, Anne F.","The synthesis and characterization of mono and dinuclear group 13 complexes derived from a Schiff base.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8550","8555","10.1039/c2dt30375b","","","0.71073","MoKα","","0.0338","0.027","","","0.0617","0.0654","","","","","","1.049","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019434","11.0058","0.0005","19.6503","0.0009","16.5196","0.0009","90","","90","","90","","3572.6","0.3","173.2","","173.2","","","","","","","","","7","P c c n","-P 2ab 2ac","56","nonoHaCl","nonoHaCl","","- C24 H36 Cl6 Ga3 Li N4 O4 -","- C24 H36 Cl6 Ga3 Li N4 O4 -","- C96 H144 Cl24 Ga12 Li4 N16 O16 -","4","0.5","","Aprile, Antonino; Wilson, David D. J.; Richards, Anne F.","The synthesis and characterization of mono and dinuclear group 13 complexes derived from a Schiff base.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8550","8555","10.1039/c2dt30375b","","","0.7107","MoKα","","0.0558","0.0367","","","0.0805","0.0894","","","","","","1.061","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019435","8.5167","0.0007","11.0176","0.0008","12.5746","0.0007","80.165","0.006","80.237","0.005","73.433","0.007","1105.15","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","((NO)3In3)0.5PhMe","","","- C43 H62 In2 N6 O6 -","- C43 H62 In2 N6 O6 -","- C43 H62 In2 N6 O6 -","1","0.5","","Aprile, Antonino; Wilson, David D. J.; Richards, Anne F.","The synthesis and characterization of mono and dinuclear group 13 complexes derived from a Schiff base.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8550","8555","10.1039/c2dt30375b","","","0.71073","","","0.0421","0.035","","","0.0838","0.0877","","","","","","1.091","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019436","9.4301","0.0007","9.6908","0.0009","11.2031","0.0009","90.674","0.007","110.084","0.007","112.24","0.008","878.1","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(((NO)InCl))2.PhMe","","","- C31 H44 Cl2 In2 N4 O4 -","- C31 H44 Cl2 In2 N4 O4 -","- C31 H44 Cl2 In2 N4 O4 -","1","0.5","","Aprile, Antonino; Wilson, David D. J.; Richards, Anne F.","The synthesis and characterization of mono and dinuclear group 13 complexes derived from a Schiff base.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8550","8555","10.1039/c2dt30375b","","","0.71073","MoKα","","0.0505","0.0442","","","0.1187","0.1247","","","","","","1.044","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019437","8.0463","0.0014","14.8894","0.0007","15.5567","0.0007","90","","93.294","0.008","90","","1860.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","((NO)InCl(thf))","","","- C16 H26 Cl In N2 O3 -","- C16 H26 Cl In N2 O3 -","- C64 H104 Cl4 In4 N8 O12 -","4","1","","Aprile, Antonino; Wilson, David D. J.; Richards, Anne F.","The synthesis and characterization of mono and dinuclear group 13 complexes derived from a Schiff base.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8550","8555","10.1039/c2dt30375b","","","0.71073","MoKα","","0.0477","0.0356","","","0.0854","0.0934","","","","","","1.054","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019438","11.3739","0.001","12.4797","0.0011","13.2237","0.0015","100.168","0.002","91.354","0.001","90.095","0.001","1847","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.8 H54 Mo2 N8 O10.2 -","- C24.8 H54 Mo2 N8 O10.2 -","- C49.6 H108 Mo4 N16 O20.4 -","2","1","","Feng, Jun; Lu, Xiao-Ming; Wang, Guo; Du, Shi-Zhen; Cheng, Yi-Feng","The syntheses and characterizations of molybdenum(vi) complexes with catechol and 2,3-dihydroxynaphthalene, and the structure-effect relationship in their in vitro anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8697","8702","10.1039/c2dt30395g","","","0.71073","MoKα","","0.1369","0.0778","","","0.1933","0.2501","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019439","17.2729","0.0012","6.4159","0.0005","11.621","0.0009","90","","96.45","0.001","90","","1279.7","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Mo N3 O5 -","- C9 H18 Mo N3 O5 -","- C36 H72 Mo4 N12 O20 -","4","1","","Feng, Jun; Lu, Xiao-Ming; Wang, Guo; Du, Shi-Zhen; Cheng, Yi-Feng","The syntheses and characterizations of molybdenum(vi) complexes with catechol and 2,3-dihydroxynaphthalene, and the structure-effect relationship in their in vitro anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8697","8702","10.1039/c2dt30395g","","","0.71073","MoKα","","0.02","0.0173","","","0.0674","0.0784","","","","","","1.051","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019440","48.194","0.005","9.0139","0.0009","19.816","0.002","90","","96.281","0.003","90","","8556.7","1.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H62 N5 O2 Pr Si2 -","- C39 H62 N5 O2 Pr Si2 -","- C312 H496 N40 O16 Pr8 Si16 -","8","1","","Li, Wenbo; Xue, Mingqiang; Xu, Fan; Tu, Jing; Zhang, Yong; Shen, Qi","Synthesis, characterization of bridged bis(amidinate) lanthanide amides and their application as catalysts for addition of amines to nitriles for monosubstituted N-arylamidines.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8252","8260","10.1039/c2dt30400g","","","0.71075","MoKα","","0.0814","0.0631","","","0.0989","0.1064","","","","","","1.157","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019441","48.267","0.008","9.0251","0.0013","19.805","0.003","90","","96.408","0.005","90","","8573","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H62 N5 Nd O2 Si2 -","- C39 H62 N5 Nd O2 Si2 -","- C312 H496 N40 Nd8 O16 Si16 -","8","1","","Li, Wenbo; Xue, Mingqiang; Xu, Fan; Tu, Jing; Zhang, Yong; Shen, Qi","Synthesis, characterization of bridged bis(amidinate) lanthanide amides and their application as catalysts for addition of amines to nitriles for monosubstituted N-arylamidines.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8252","8260","10.1039/c2dt30400g","","","0.71075","MoKα","","0.1015","0.0784","","","0.1657","0.1857","","","","","","1.156","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019442","24.714","0.0018","8.9715","0.0005","19.8141","0.0013","90","","103.969","0.002","90","","4263.3","0.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 Gd N5 O2 Si2 -","- C39 H62 Gd N5 O2 Si2 -","- C156 H248 Gd4 N20 O8 Si8 -","4","1","","Li, Wenbo; Xue, Mingqiang; Xu, Fan; Tu, Jing; Zhang, Yong; Shen, Qi","Synthesis, characterization of bridged bis(amidinate) lanthanide amides and their application as catalysts for addition of amines to nitriles for monosubstituted N-arylamidines.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8252","8260","10.1039/c2dt30400g","","","0.71075","MoKα","","0.0634","0.0547","","","0.1102","0.1133","","","","","","1.196","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019443","13.9207","0.0008","18.8194","0.001","20.0255","0.0014","76.526","0.005","89.145","0.007","73.163","0.006","4875.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H62 N7 Si2 Y -","- C49 H62 N7 Si2 Y -","- C196 H248 N28 Si8 Y4 -","4","2","","Li, Wenbo; Xue, Mingqiang; Xu, Fan; Tu, Jing; Zhang, Yong; Shen, Qi","Synthesis, characterization of bridged bis(amidinate) lanthanide amides and their application as catalysts for addition of amines to nitriles for monosubstituted N-arylamidines.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8252","8260","10.1039/c2dt30400g","","","0.71075","MoKα","","0.1164","0.0749","","","0.1369","0.1548","","","","","","1.087","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019444","24.0074","0.0014","13.3464","0.0007","17.8421","0.0011","90","","104.892","0.001","90","","5524.8","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 N7 Si2 Yb -","- C56 H70 N7 Si2 Yb -","- C224 H280 N28 Si8 Yb4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Xu, Fan; Tu, Jing; Zhang, Yong; Shen, Qi","Synthesis, characterization of bridged bis(amidinate) lanthanide amides and their application as catalysts for addition of amines to nitriles for monosubstituted N-arylamidines.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8252","8260","10.1039/c2dt30400g","","","0.71075","MoKα","","0.054","0.046","","","0.0843","0.0881","","","","","","1.178","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019445","12.8432","0.0009","20.1542","0.0013","22.7598","0.0015","90","","97.886","0.002","90","","5835.5","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 N7 O2 Si2 Yb -","- C58 H66 N7 O2 Si2 Yb -","- C232 H264 N28 O8 Si8 Yb4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Xu, Fan; Tu, Jing; Zhang, Yong; Shen, Qi","Synthesis, characterization of bridged bis(amidinate) lanthanide amides and their application as catalysts for addition of amines to nitriles for monosubstituted N-arylamidines.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8252","8260","10.1039/c2dt30400g","","","0.71075","MoKα","","0.0971","0.0742","","","0.1404","0.1505","","","","","","1.187","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019446","12.1228","0.0006","12.7576","0.0007","13.5956","0.0006","80.15","0.005","68.709","0.004","84.206","0.005","1928.55","0.18","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H100 N10 O2 Si4 Yb2 -","- C74 H84 N10 O2 Si4 Yb2 -","- C74 H84 N10 O2 Si4 Yb2 -","1","0.5","","Li, Wenbo; Xue, Mingqiang; Xu, Fan; Tu, Jing; Zhang, Yong; Shen, Qi","Synthesis, characterization of bridged bis(amidinate) lanthanide amides and their application as catalysts for addition of amines to nitriles for monosubstituted N-arylamidines.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8252","8260","10.1039/c2dt30400g","","","0.71075","MoKα","","0.0639","0.052","","","0.097","0.1027","","","","","","1.125","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019447","24.757","0.005","8.9687","0.0016","19.765","0.004","90","","104.382","0.003","90","","4251.1","1.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 N5 O2 Si2 Y -","- C39 H56 N5 O2 Si2 Y -","- C156 H224 N20 O8 Si8 Y4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Xu, Fan; Tu, Jing; Zhang, Yong; Shen, Qi","Synthesis, characterization of bridged bis(amidinate) lanthanide amides and their application as catalysts for addition of amines to nitriles for monosubstituted N-arylamidines.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8252","8260","10.1039/c2dt30400g","","","0.71075","MoKα","","0.1083","0.0845","","","0.1459","0.1554","","","","","","1.189","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019448","14.3615","0.0012","28.41","0.003","13.7532","0.0013","90","","115.017","0.008","90","","5085","0.9","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49.5 Cu F6 N8.5 O6 P -","- C48 H49.5 Cu F6 N8.5 O6 P -","- C192 H198 Cu4 F24 N34 O24 P4 -","4","1","","Moore, Cameron M.; Szymczak, Nathaniel K.","A tris(2-quinolylmethyl)amine scaffold that promotes hydrogen bonding within the secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7886","7889","10.1039/c2dt30406f","","","1.54178","CuKα","","0.132","0.0884","","","0.2558","0.2893","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019449","23.7111","0.0004","17.7456","0.0003","26.316","0.0019","90","","107.05","0.007","90","","10586.3","0.9","85","","85","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H55.5 Cl2 Cu N10.5 O14 -","- C52 H55.5 Cl2 Cu N10.5 O14 -","- C416 H444 Cl16 Cu8 N84 O112 -","8","1","","Moore, Cameron M.; Szymczak, Nathaniel K.","A tris(2-quinolylmethyl)amine scaffold that promotes hydrogen bonding within the secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7886","7889","10.1039/c2dt30406f","","","1.54187","CuKα","","0.0377","0.0348","","","0.0882","0.0901","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019450","9.0679","0.0002","11.0145","0.0002","17.5571","0.0012","78.358","0.006","82.766","0.006","67.261","0.005","1581.78","0.13","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Cl2 Cu N5 O8 -","- C32 H27 Cl2 Cu N5 O8 -","- C64 H54 Cl4 Cu2 N10 O16 -","2","1","","Moore, Cameron M.; Szymczak, Nathaniel K.","A tris(2-quinolylmethyl)amine scaffold that promotes hydrogen bonding within the secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7886","7889","10.1039/c2dt30406f","","","1.54178","CuKα","","0.0875","0.0794","","","0.2305","0.2385","","","","","","1.056","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019451","14.8305","0.0004","9.1267","0.0002","24.2462","0.0006","90","","105.642","0.001","90","","3160.27","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Ni O2 P2 S -","- C37 H30 Ni O2 P2 S -","- C148 H120 Ni4 O8 P8 S4 -","4","1","","Zhang, Jie; Adhikary, Anubendu; King, Krista M.; Krause, Jeanette A.; Guan, Hairong","Substituent effects on Ni-S bond dissociation energies and kinetic stability of nickel arylthiolate complexes supported by a bis(phosphinite)-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7959","7968","10.1039/c2dt30407d","","","1.54178","CuKα","","0.0519","0.039","","","0.0987","0.1069","","","","","","1.024","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019452","14.7575","0.0003","9.1218","0.0002","24.1885","0.0005","90","","105.398","0.001","90","","3139.25","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl Ni O2 P2 S -","- C36 H27 Cl Ni O2 P2 S -","- C144 H108 Cl4 Ni4 O8 P8 S4 -","4","1","","Zhang, Jie; Adhikary, Anubendu; King, Krista M.; Krause, Jeanette A.; Guan, Hairong","Substituent effects on Ni-S bond dissociation energies and kinetic stability of nickel arylthiolate complexes supported by a bis(phosphinite)-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7959","7968","10.1039/c2dt30407d","","","1.54178","CuKα","","0.0374","0.0322","","","0.0851","0.0888","","","","","","1.043","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019453","15.0497","0.0004","9.1562","0.0002","24.2103","0.0006","90","","104.941","0.001","90","","3223.34","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 F3 Ni O2 P2 S -","- C37 H27 F3 Ni O2 P2 S -","- C148 H108 F12 Ni4 O8 P8 S4 -","4","1","","Zhang, Jie; Adhikary, Anubendu; King, Krista M.; Krause, Jeanette A.; Guan, Hairong","Substituent effects on Ni-S bond dissociation energies and kinetic stability of nickel arylthiolate complexes supported by a bis(phosphinite)-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7959","7968","10.1039/c2dt30407d","","","1.54178","CuKα","","0.0746","0.0493","","","0.1165","0.1306","","","","","","1.024","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019454","36.0524","0.001","7.6168","0.0002","25.022","0.0008","90","","129.255","0.003","90","","5320.6","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H38 Ni O3 P2 S -","- C25 H38 Ni O3 P2 S -","- C200 H304 Ni8 O24 P16 S8 -","8","1","","Zhang, Jie; Adhikary, Anubendu; King, Krista M.; Krause, Jeanette A.; Guan, Hairong","Substituent effects on Ni-S bond dissociation energies and kinetic stability of nickel arylthiolate complexes supported by a bis(phosphinite)-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7959","7968","10.1039/c2dt30407d","","","1.54178","CuKα","","0.0379","0.0321","","","0.0838","0.0876","","","","","","1.033","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019455","10.2691","0.0002","11.3934","0.0002","13.1019","0.0002","88.437","0.001","67.681","0.001","66.738","0.001","1289.15","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H38 Ni O2 P2 S -","- C25 H38 Ni O2 P2 S -","- C50 H76 Ni2 O4 P4 S2 -","2","1","","Zhang, Jie; Adhikary, Anubendu; King, Krista M.; Krause, Jeanette A.; Guan, Hairong","Substituent effects on Ni-S bond dissociation energies and kinetic stability of nickel arylthiolate complexes supported by a bis(phosphinite)-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7959","7968","10.1039/c2dt30407d","","","1.54178","CuKα","","0.0477","0.0377","","","0.0957","0.1019","","","","","","1.032","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019456","7.8432","0.0001","31.358","0.0005","10.391","0.0002","90","","94.459","0.001","90","","2547.9","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ni O2 P2 S -","- C24 H36 Ni O2 P2 S -","- C96 H144 Ni4 O8 P8 S4 -","4","1","","Zhang, Jie; Adhikary, Anubendu; King, Krista M.; Krause, Jeanette A.; Guan, Hairong","Substituent effects on Ni-S bond dissociation energies and kinetic stability of nickel arylthiolate complexes supported by a bis(phosphinite)-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7959","7968","10.1039/c2dt30407d","","","1.54178","CuKα","","0.0414","0.0344","","","0.0867","0.0916","","","","","","1.033","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019457","8.5017","0.0002","9.6113","0.0002","16.6023","0.0004","85.405","0.001","78.043","0.001","88.327","0.001","1322.8","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H35 Cl Ni O2 P2 S -","- C24 H35 Cl Ni O2 P2 S -","- C48 H70 Cl2 Ni2 O4 P4 S2 -","2","1","","Zhang, Jie; Adhikary, Anubendu; King, Krista M.; Krause, Jeanette A.; Guan, Hairong","Substituent effects on Ni-S bond dissociation energies and kinetic stability of nickel arylthiolate complexes supported by a bis(phosphinite)-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7959","7968","10.1039/c2dt30407d","","","1.54178","CuKα","","0.0402","0.0341","","","0.0878","0.0922","","","","","","1.05","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019458","8.6345","0.0001","9.6238","0.0002","16.8946","0.0003","84.721","0.001","79.927","0.001","88.646","0.001","1376.34","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H35 F3 Ni O2 P2 S -","- C25 H35 F3 Ni O2 P2 S -","- C50 H70 F6 Ni2 O4 P4 S2 -","2","1","","Zhang, Jie; Adhikary, Anubendu; King, Krista M.; Krause, Jeanette A.; Guan, Hairong","Substituent effects on Ni-S bond dissociation energies and kinetic stability of nickel arylthiolate complexes supported by a bis(phosphinite)-based pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7959","7968","10.1039/c2dt30407d","","","1.54178","CuKα","","0.0526","0.0407","","","0.102","0.1092","","","","","","1.019","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019459","11.826","0.002","11.991","0.002","13.47","0.003","103.02","0.03","94.88","0.03","99.91","0.03","1817.9","0.7","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C44 H8 Co7 F12 I2 N6 O32 S4 Sn2 -","- C44 H8 Co7 F12 I2 N6 O32 S4 Sn2 -","- C44 H8 Co7 F12 I2 N6 O32 S4 Sn2 -","1","0.5","","Wolf, Silke; Feldmann, Claus","[Co{1,4-C(6)H(4)(CN)(2)}(2){NTf(2)}(2)][SnI{Co(CO)(4)}(3)](2)- a 2D coordination network with an intercalated carbonyl cluster.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8455","8459","10.1039/c2dt30411b","","","0.71073","MoKα","","0.0925","0.0448","","","0.0722","0.079","","","","","","1.122","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019460","12.4234","0.0008","17.5344","0.0012","18.8655","0.0013","68.137","0.008","71.102","0.007","73.688","0.008","3547.8","0.5","150","","","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H59 Cl F9 N15 O11 S3 Zn2 -","- C62 H59 Cl F9 N15 O11 S3 Zn2 -","- C124 H118 Cl2 F18 N30 O22 S6 Zn4 -","2","1","","Aboshyan-Sorgho, Lilit; Cantuel, Martine; Bernardinelli, Gérald; Piguet, Claude","Looking for the origin of the switch between coordination-captured helicates and catenates.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7218","7226","10.1039/c2dt30414g","","","0.71073","MoKα","","","0.051","","","","0.046","","","","","","1.01","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019461","15.384","0.003","9.871","0.0018","18.687","0.003","90","","110.323","0.009","90","","2661.1","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 Cl N6 Zr -","- C24 H43 Cl N6 Zr -","- C96 H172 Cl4 N24 Zr4 -","4","1","","Hsu, Jia-Wei; Lin, Yu-Chun; Hsiao, Ching-Sheng; Datta, Amitabha; Lin, Chia-Her; Huang, Jui-Hsien; Tsai, Jing-Cherng; Hsu, Wei-Che","Zirconium complexes incorporated with asymmetrical tridentate pincer type mono- and di-anionic pyrrolyl ligands: mechanism and reactivity as catalytic precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7700","7707","10.1039/c2dt30417a","","","0.71073","MoKα","","0.0475","0.0321","","","0.074","0.0808","","","","","","1.037","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019462","9.459","0.0006","26.1531","0.0016","10.9676","0.0007","90","","109.209","0.003","90","","2562.1","0.3","148","2","148","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 N6 S Zr -","- C23 H38 N6 S Zr -","- C92 H152 N24 S4 Zr4 -","4","1","","Hsu, Jia-Wei; Lin, Yu-Chun; Hsiao, Ching-Sheng; Datta, Amitabha; Lin, Chia-Her; Huang, Jui-Hsien; Tsai, Jing-Cherng; Hsu, Wei-Che","Zirconium complexes incorporated with asymmetrical tridentate pincer type mono- and di-anionic pyrrolyl ligands: mechanism and reactivity as catalytic precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7700","7707","10.1039/c2dt30417a","","","0.71073","MoKα","","0.069","0.0385","","","0.0803","0.0911","","","","","","1.008","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019463","11.3294","0.0005","12.1455","0.0005","17.9863","0.0008","90.132","0.002","96.703","0.002","109.661","0.002","2312.43","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H67 N9 O3 Zr -","- C45 H67 N9 O3 Zr -","- C90 H134 N18 O6 Zr2 -","2","1","","Hsu, Jia-Wei; Lin, Yu-Chun; Hsiao, Ching-Sheng; Datta, Amitabha; Lin, Chia-Her; Huang, Jui-Hsien; Tsai, Jing-Cherng; Hsu, Wei-Che","Zirconium complexes incorporated with asymmetrical tridentate pincer type mono- and di-anionic pyrrolyl ligands: mechanism and reactivity as catalytic precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7700","7707","10.1039/c2dt30417a","","","0.71073","MoKα","","0.0433","0.0339","","","0.0853","0.0935","","","","","","1.08","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019464","16.607","0.001","11.022","0.002","17.33","0.001","90","","91.561","0.005","90","","3170.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl2 Cu2 N6 O10 -","- C27 H34 Cl2 Cu2 N6 O10 -","- C108 H136 Cl8 Cu8 N24 O40 -","4","1","","Rey, Nicolás A; Neves, Ademir; Bortoluzzi, Adailton J.; Haase, Wolfgang; Tomkowicz, Zbigniew","Doubly phenoxo-hydroxo-bridged dicopper(ii) complexes: individual contributions of the bridges to antiferromagnetic coupling based on two related biomimetic models for catechol oxidases.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7196","7200","10.1039/c2dt30419h","","","0.71069","MoKα","","0.1118","0.0508","","","0.1268","0.1449","","","","","","1.065","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019465","15.203","0.002","20.357","0.003","24.945","0.004","110.743","0.008","98.496","0.007","94.591","0.007","7067","1.9","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H65 Au Cl14 N3 O6 P -","- C58 H65 Au Cl14 N3 O6 P -","- C232 H260 Au4 Cl56 N12 O24 P4 -","4","2","","Gaillard, Sylvain; Rix, Diane; Slawin, Alexandra M. Z.; Lacour, Jérôme; Nolan, Steven P.","Phosphate binding to the [Au(IPr)] moiety: inner vs. outer sphere coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8235","8237","10.1039/c2dt30440f","","","0.71073","MoKα","","0.0999","0.0692","","","0.187","0.2159","","","","","","1.084","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019466","13.28","0.005","13.599","0.005","16.803","0.005","79.1","0.03","68.36","0.02","81.5","0.03","2759.6","1.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H42 Au Cl13 N3 O6 P -","- C46.01 H41.03 Au Cl13 N3 O6 P -","- C92.02 H82.06 Au2 Cl26 N6 O12 P2 -","2","1","","Gaillard, Sylvain; Rix, Diane; Slawin, Alexandra M. Z.; Lacour, Jérôme; Nolan, Steven P.","Phosphate binding to the [Au(IPr)] moiety: inner vs. outer sphere coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8235","8237","10.1039/c2dt30440f","","","0.71073","MoKα","","0.2107","0.1743","","","0.4154","0.4632","","","","","","1.442","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019467","17.72","0.03","12.9","0.02","14.74","0.03","90","","94.4","0.03","90","","3359","10","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13.5 Fe N4.5 O6.5 -","- C15 H13.5 Fe N4.5 O6.5 -","- C120 H108 Fe8 N36 O52 -","8","1","","Skodje, Kelsey M.; Williard, Paul G.; Kim, Eunsuk","Conversion of {Fe(NO)(2)}(10) dinitrosyl iron to nitrato iron(iii) species by molecular oxygen.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7849","7851","10.1039/c2dt30443k","","","0.71073","MoKα","","0.068","0.0431","","","0.1021","0.1172","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019468","13.2468","0.0012","15.112","0.0014","15.5449","0.0014","71.939","0.004","71.13","0.004","85.922","0.004","2798.1","0.5","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H90 Cu2 N4 O4 -","- C58.776 H89.96 Cu2 N4 O4 -","- C117.552 H179.92 Cu4 N8 O8 -","2","1","","Dunn, Tim J.; Chiang, Linus; Ramogida, Caterina F.; Webb, Michael I.; Savard, Didier; Sakaguchi, Miyuki; Ogura, Takashi; Shimazaki, Yuichi; Storr, Tim","Non-innocent ligand behaviour of a bimetallic Cu complex employing a bridging catecholate.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7905","7914","10.1039/c2dt30444a","","","0.71073","MoKα","","0.0616","0.0373","","","0.0827","0.0969","","","","","","1.048","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019469","20.7351","0.0011","20.7351","0.0011","30.114","0.0018","90","","90","","120","","11212.7","1.1","143","1","143","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H72 Ce Li3 N6 O6 -","- C90 H72 Ce Li3 N6 O6 -","- C540 H432 Ce6 Li18 N36 O36 -","6","0.333333","","Levin, Jessica R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.","Lanthanide(iii) 2-naphthoxide complexes stabilized by interligand non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7870","7872","10.1039/c2dt30445g","","","0.71073","MoKα","","0.0324","0.0277","","","0.0657","0.0698","","","","","","1.055","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019470","11.7345","0.0007","15.183","0.0009","16.605","0.0009","82.26","0.003","74.755","0.003","87.099","0.003","2828","0.3","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C116 H110 Ce2 Li4 O18 -","- C116 H110 Ce2 Li4 O18 -","- C116 H110 Ce2 Li4 O18 -","1","0.5","","Levin, Jessica R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.","Lanthanide(iii) 2-naphthoxide complexes stabilized by interligand non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7870","7872","10.1039/c2dt30445g","","","0.71073","MoKα","","0.0324","0.0267","","","0.0673","0.0694","","","","","","1.075","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019471","36.8108","0.0018","20.608","0.001","27.9312","0.0013","90","","108.529","0.002","90","","20090.2","1.7","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H105 Ce2 N9 O9 -","- C105 H105 Ce2 N9 O9 -","- C840 H840 Ce16 N72 O72 -","8","1","","Levin, Jessica R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.","Lanthanide(iii) 2-naphthoxide complexes stabilized by interligand non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7870","7872","10.1039/c2dt30445g","","","0.71073","MoKα","","0.0986","0.0718","","","0.1861","0.2016","","","","","","1.1","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019472","10.5548","0.0004","17.5085","0.0004","16.3988","0.0004","90","","108.219","0.003","90","","2878.55","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Mn N3 O4 P2 S4 -","- C20 H29 Mn N3 O4 P2 S4 -","- C80 H116 Mn4 N12 O16 P8 S16 -","4","1","","Alvarez, Celedonio M.; Alvarez-Miguel, Lucía; García-Rodríguez, Raúl; Miguel, Daniel","Complexes with 3-(pyridin-2-yl)imidazo[1,5-a]pyridine ligands by spontaneous dimerization of pyridine-2-carboxaldehyde within the coordination sphere of manganese(ii) in a one-pot reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7041","7046","10.1039/c2dt30453h","","","0.71073","MoKα","","0.11","0.0665","","","0.1577","0.1849","","","","","","1.036","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019473","9.9962","0.0004","10.7939","0.0004","15.5695","0.0008","93.077","0.004","92.869","0.004","94.41","0.003","1670.05","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 Mn N3 O4 P2 S4 -","- C28 H33 Mn N3 O4 P2 S4 -","- C56 H66 Mn2 N6 O8 P4 S8 -","2","1","","Alvarez, Celedonio M.; Alvarez-Miguel, Lucía; García-Rodríguez, Raúl; Miguel, Daniel","Complexes with 3-(pyridin-2-yl)imidazo[1,5-a]pyridine ligands by spontaneous dimerization of pyridine-2-carboxaldehyde within the coordination sphere of manganese(ii) in a one-pot reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7041","7046","10.1039/c2dt30453h","","","0.7107","MoKα","","0.0939","0.0704","","","0.1866","0.1981","","","","","","1.06","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019474","11.4966","0.0015","12.8094","0.0016","13.1346","0.0017","98.074","0.011","110.662","0.013","115.699","0.012","1528.8","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H27 Br2 Mn N3 O4 P2 S4 -","- C20 H27 Br2 Mn N3 O4 P2 S4 -","- C40 H54 Br4 Mn2 N6 O8 P4 S8 -","2","1","","Alvarez, Celedonio M.; Alvarez-Miguel, Lucía; García-Rodríguez, Raúl; Miguel, Daniel","Complexes with 3-(pyridin-2-yl)imidazo[1,5-a]pyridine ligands by spontaneous dimerization of pyridine-2-carboxaldehyde within the coordination sphere of manganese(ii) in a one-pot reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7041","7046","10.1039/c2dt30453h","","","0.71073","MoKα","","0.0756","0.0453","","","0.0978","0.1163","","","","","","1.112","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019475","5.9555","0.0007","14.379","0.002","17.069","0.002","90","","96.393","0.01","90","","1452.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Alvarez, Celedonio M.; Alvarez-Miguel, Lucía; García-Rodríguez, Raúl; Miguel, Daniel","Complexes with 3-(pyridin-2-yl)imidazo[1,5-a]pyridine ligands by spontaneous dimerization of pyridine-2-carboxaldehyde within the coordination sphere of manganese(ii) in a one-pot reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7041","7046","10.1039/c2dt30453h","","","0.71073","MoKα","","0.1997","0.082","","","0.0913","0.122","","","","","","0.966","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019476","12.464","0.005","3.9278","0.0015","23.727","0.006","90","","100.62","0.03","90","","1141.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Br2 N3 -","- C12 H7 Br2 N3 -","- C48 H28 Br8 N12 -","4","1","","Alvarez, Celedonio M.; Alvarez-Miguel, Lucía; García-Rodríguez, Raúl; Miguel, Daniel","Complexes with 3-(pyridin-2-yl)imidazo[1,5-a]pyridine ligands by spontaneous dimerization of pyridine-2-carboxaldehyde within the coordination sphere of manganese(ii) in a one-pot reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7041","7046","10.1039/c2dt30453h","","","0.71073","MoKα","","0.0715","0.0376","","","0.0631","0.0751","","","","","","0.986","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019477","19.347","0.007","14.704","0.005","16.562","0.006","90","","90","","90","","4712","3","85","2","85","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H26 N6 O6 Ru -","- C20 H26 N6 O6 Ru -","- C160 H208 N48 O48 Ru8 -","8","1","","Merkle, Anna C.; McQuarters, Ashley B.; Lehnert, Nicolai","Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)-nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8047","8059","10.1039/c2dt30464c","","","0.71073","MoKα","","0.0844","0.0599","","","0.1521","0.1684","","","","","","1.096","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019478","16.3726","0.0003","9.9439","0.0002","17.357","0.0012","90","","114.313","0.008","90","","2575.2","0.3","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F12 N6 O3 P2 Ru -","- C18 H18 F12 N6 O3 P2 Ru -","- C72 H72 F48 N24 O12 P8 Ru4 -","4","1","","Merkle, Anna C.; McQuarters, Ashley B.; Lehnert, Nicolai","Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)-nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8047","8059","10.1039/c2dt30464c","","","1.54178","CuKα","","0.0473","0.0462","","","0.1137","0.1143","","","","","","1.159","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019479","9.7546","0.0001","13.7776","0.0002","9.9353","0.0007","90","","110.935","0.008","90","","1247.11","0.11","85","2","85","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl5 N5 O5 Ru -","- C19 H20 Cl5 N5 O5 Ru -","- C38 H40 Cl10 N10 O10 Ru2 -","2","1","","Merkle, Anna C.; McQuarters, Ashley B.; Lehnert, Nicolai","Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)-nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8047","8059","10.1039/c2dt30464c","","","1.54187","CuKα","","0.0175","0.0174","","","0.0405","0.0406","","","","","","1.05","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019480","10.4799","0.0008","15.1542","0.0012","14.4573","0.0011","90","","108.579","0.001","90","","2176.4","0.3","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H21 Cl3 N4 O5 Ru -","- C18.5 H20 Cl3 N4 O5 Ru -","- C74 H80 Cl12 N16 O20 Ru4 -","4","1","","Merkle, Anna C.; McQuarters, Ashley B.; Lehnert, Nicolai","Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)-nitrosyl complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8047","8059","10.1039/c2dt30464c","","","0.71073","MoKα","","0.0225","0.0214","","","0.0568","0.0578","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019481","12.2305","0.0005","22.4498","0.0008","26.3787","0.0009","90","","101.093","0.003","90","","7107.5","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H97 B22 N5 P2 Pt Se2 Sn2 -","- C49 H97 B22 N5 P2 Pt Se2 Sn2 -","- C196 H388 B88 N20 P8 Pt4 Se8 Sn8 -","4","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Eichele, Klaus; Wesemann, Lars","Selenium adducts of germa- and stanna-closo-dodecaborate: coordination at platinum, structural studies and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8989","8996","10.1039/c2dt30478c","","","0.71073","MoKα","","0.057","0.0473","","","0.1152","0.1208","","","","","","1.054","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019482","15.8287","0.0007","20.8615","0.0007","21.9498","0.0008","90","","108.17","0.003","90","","6886.6","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H69 B11 Cl6 P4 Pt2 Se2 Sn -","- C57 H69 B11 Cl6 P4 Pt2 Se2 Sn -","- C228 H276 B44 Cl24 P16 Pt8 Se8 Sn4 -","4","1","","Dimmer, Jörg-Alexander; Hornung, Martin; Eichele, Klaus; Wesemann, Lars","Selenium adducts of germa- and stanna-closo-dodecaborate: coordination at platinum, structural studies and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8989","8996","10.1039/c2dt30478c","","","0.71073","MoKα","","0.0458","0.0435","","","0.0901","0.091","","","","","","1.314","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019483","12.8228","0.0006","31.0793","0.0015","21.1656","0.0011","90","","90.404","0.004","90","","8434.8","0.7","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C56 H114 B22 Cl6 Ge2 N2 P2 Pt Se2 -","- C56 H114 B22 Cl6 Ge2 N2 P2 Pt Se2 -","- C224 H456 B88 Cl24 Ge8 N8 P8 Pt4 Se8 -","4","0.5","","Dimmer, Jörg-Alexander; Hornung, Martin; Eichele, Klaus; Wesemann, Lars","Selenium adducts of germa- and stanna-closo-dodecaborate: coordination at platinum, structural studies and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8989","8996","10.1039/c2dt30478c","","","0.71073","MoKα","","0.0452","0.0419","","","0.0911","0.093","","","","","","0.951","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019484","17.7637","0.0016","11.2623","0.001","18.0062","0.0015","90","","90.691","0.005","90","","3602.1","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 B N2 -","- C23 H19 B N2 -","- C184 H152 B8 N16 -","8","1","","Suresh, D.; Gomes, Clara S. B.; Gomes, Pedro T.; Di Paolo, Roberto E.; Maçanita, António L; Calhorda, Maria José; Charas, Ana; Morgado, Jorge; Teresa Duarte, M.","Syntheses and photophysical properties of new iminopyrrolyl boron complexes and their application in efficient single-layer non-doped OLEDs prepared by spin coating.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8502","8505","10.1039/c2dt30487b","","x-ray","0.71073","MoKα","","0.0658","0.0397","","","0.0972","0.106","","","","","","1.037","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019485","8.1967","0.0003","11.7901","0.0004","19.9616","0.0006","90","","95.809","0.002","90","","1919.18","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B2 Cl4 N4 -","- C42 H36 B2 Cl4 N4 -","- C84 H72 B4 Cl8 N8 -","2","0.5","","Suresh, D.; Gomes, Clara S. B.; Gomes, Pedro T.; Di Paolo, Roberto E.; Maçanita, António L; Calhorda, Maria José; Charas, Ana; Morgado, Jorge; Teresa Duarte, M.","Syntheses and photophysical properties of new iminopyrrolyl boron complexes and their application in efficient single-layer non-doped OLEDs prepared by spin coating.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8502","8505","10.1039/c2dt30487b","","x-ray","0.71073","MoKα","","0.0688","0.0509","","","0.1253","0.134","","","","","","1.062","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019486","23.7192","0.0014","23.7192","0.0014","7.1617","0.0008","90","","90","","90","","4029.2","0.6","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","[Cp2Co]2[{(OC)5V}2{1,4-diisocyanodurene}]","","","- C42 H32 Co2 N2 O10 V2 -","- C42 H32 Co2 N2 O10 V2 -","- C168 H128 Co8 N8 O40 V8 -","4","0.5","","Maher, Tiffany R.; Meyers, John J.; Spaeth, Andrew D.; Lemley, Krista R.; Barybin, Mikhail V.","Diisocyanoarene-linked pentacarbonylvanadate(I-) ions as building blocks in a supramolecular charge-transfer framework assembled through noncovalent π-π and contact ion interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7845","7848","10.1039/c2dt30488k","","","0.71073","MoKα","","0.0698","0.05","","","0.12","0.1287","","","","","","1.069","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019487","9.4272","0.0001","10.0394","0.0002","13.2179","0.0002","81.999","0.001","83.059","0.001","79.737","0.001","1213.05","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 Se2 -","- C29 H26 N2 Se2 -","- C58 H52 N4 Se4 -","2","1","","Cvengroš, Ján; Maennel, Elisabeth; Santschi, Nico","Synthesis and characterization of novel S,N and Se,N homodimetallic Ag(i)-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7415","7422","10.1039/c2dt30509g","","","0.71073","MoKα","","0.0418","0.0276","","","0.0583","0.0626","","","","","","1.016","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019488","8.3248","0.0002","11.8592","0.0003","12.5893","0.0002","81.416","0.001","85.768","0.001","69.882","0.001","1153.64","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 S2 -","- C25 H34 N2 S2 -","- C50 H68 N4 S4 -","2","1","","Cvengroš, Ján; Maennel, Elisabeth; Santschi, Nico","Synthesis and characterization of novel S,N and Se,N homodimetallic Ag(i)-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7415","7422","10.1039/c2dt30509g","","","0.71073","MoKα","","0.0862","0.0425","","","0.0704","0.0804","","","","","","0.846","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019489","10.6111","0.0003","11.8157","0.0003","18.9074","0.0005","86.053","0.002","89.515","0.002","64.611","0.002","2135.95","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H96 Ag4 Cl4 N4 O22 S4 -","- C80 H96 Ag4 Cl4 N4 O22 S4 -","- C80 H96 Ag4 Cl4 N4 O22 S4 -","1","0.5","","Cvengroš, Ján; Maennel, Elisabeth; Santschi, Nico","Synthesis and characterization of novel S,N and Se,N homodimetallic Ag(i)-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7415","7422","10.1039/c2dt30509g","","","0.71073","MoKα","","0.0831","0.0497","","","0.108","0.1261","","","","","","1.021","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019490","13.9683","0.0003","21.6538","0.0004","21.3918","0.0004","90","","94.79","0.001","90","","6447.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.76 H62.9 Ag2 Cl2 N6.62 O8.38 Se4 -","- C64.758 H62.895 Ag2 Cl2 N6.621 O8.379 Se4 -","- C259.032 H251.58 Ag8 Cl8 N26.484 O33.516 Se16 -","4","1","","Cvengroš, Ján; Maennel, Elisabeth; Santschi, Nico","Synthesis and characterization of novel S,N and Se,N homodimetallic Ag(i)-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7415","7422","10.1039/c2dt30509g","","","0.71073","MoKα","","0.0803","0.0452","","","0.0988","0.1165","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019491","17.4573","0.0007","15.6748","0.0006","16.6134","0.0006","90","","90","","90","","4546.1","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H38 F12 N12 P2 Ru -","- C42 H38 F12 N12 P2 Ru -","- C168 H152 F48 N48 P8 Ru4 -","4","0.5","","Welby, Christine E.; Grkinic, Stev; Zahid, Adam; Uppal, Baljinder S.; Gibson, Elizabeth A.; Rice, Craig R.; Elliott, Paul I. P.","Synthesis, characterisation and theoretical study of ruthenium 4,4'-bi-1,2,3-triazolyl complexes: fundamental switching of the nature of S(1) and T(1) states from MLCT to MC.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7637","7646","10.1039/c2dt30510k","","","0.71073","","","0.0634","0.0452","","","0.128","0.1445","","","","","","0.977","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019492","8.6538","0.0012","13.3823","0.0019","13.646","0.0019","67.807","0.001","79.521","0.002","88.565","0.001","1437.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Ag2 N16 O14 -","- C58 H46 Ag2 N16 O14 -","- C58 H46 Ag2 N16 O14 -","1","0.5","","Wu, Huilu; Yuan, Jingkun; Bai, Ying; Pan, Guolong; Wang, Hua; Kong, Jin; Fan, Xuyang; Liu, Hongmei","Synthesis, structure, DNA-binding properties and antioxidant activity of silver(i) complexes containing V-shaped bis-benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8829","8838","10.1039/c2dt30512g","","","0.71073","MoKα","","0.0543","0.0384","","","0.0786","0.0858","","","","","","1.015","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019493","12.4814","0.0017","18.698","0.003","16.038","0.002","90","","111.682","0.002","90","","3478.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H68 Ag2 N18 O16 -","- C68 H68 Ag2 N18 O16 -","- C136 H136 Ag4 N36 O32 -","2","0.5","","Wu, Huilu; Yuan, Jingkun; Bai, Ying; Pan, Guolong; Wang, Hua; Kong, Jin; Fan, Xuyang; Liu, Hongmei","Synthesis, structure, DNA-binding properties and antioxidant activity of silver(i) complexes containing V-shaped bis-benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8829","8838","10.1039/c2dt30512g","","","0.71073","MoKα","","0.0544","0.0374","","","0.0876","0.0954","","","","","","1.045","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019494","9.725","0.009","14.739","0.014","16.516","0.016","65.574","0.009","81.098","0.009","77.451","0.009","2098","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 Ag N8 O7 -","- C43 H35 Ag N8 O7 -","- C86 H70 Ag2 N16 O14 -","2","1","","Wu, Huilu; Yuan, Jingkun; Bai, Ying; Pan, Guolong; Wang, Hua; Kong, Jin; Fan, Xuyang; Liu, Hongmei","Synthesis, structure, DNA-binding properties and antioxidant activity of silver(i) complexes containing V-shaped bis-benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8829","8838","10.1039/c2dt30512g","","","0.71073","MoKα","","0.0764","0.0509","","","0.1359","0.1587","","","","","","1.095","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019495","7.437","0.004","19.619","0.009","10.378","0.005","90","","95.95","0.008","90","","1506.1","1.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N Te -","- C18 H17 N Te -","- C72 H68 N4 Te4 -","4","1","","Nakai, Takahito; Nishino, Mitsuhiro; Hayashi, Satoko; Hashimoto, Masato; Nakanishi, Waro","Role of p(Z)-π(Ar/Nap) conjugation in structures of 1-(arylchalcogena)naphthalenes for Z = Te versus Se, S and O: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7485","7497","10.1039/c2dt30516j","","","0.71069","MoKα","","0.0311","0.0204","","","0.0425","0.0458","","","","","","0.974","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019496","7.741","0.003","22.18","0.009","8.551","0.004","90","","109.847","0.006","90","","1381","1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O Te -","- C17 H14 O Te -","- C68 H56 O4 Te4 -","4","1","","Nakai, Takahito; Nishino, Mitsuhiro; Hayashi, Satoko; Hashimoto, Masato; Nakanishi, Waro","Role of p(Z)-π(Ar/Nap) conjugation in structures of 1-(arylchalcogena)naphthalenes for Z = Te versus Se, S and O: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7485","7497","10.1039/c2dt30516j","","","0.71069","MoKα","","0.0245","0.0233","","","0.0646","0.0659","","","","","","1.125","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019497","14.818","0.0013","5.5614","0.0005","16.5413","0.0012","90","","96.886","0.005","90","","1353.3","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N Te -","- C17 H11 N Te -","- C68 H44 N4 Te4 -","4","1","","Nakai, Takahito; Nishino, Mitsuhiro; Hayashi, Satoko; Hashimoto, Masato; Nakanishi, Waro","Role of p(Z)-π(Ar/Nap) conjugation in structures of 1-(arylchalcogena)naphthalenes for Z = Te versus Se, S and O: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7485","7497","10.1039/c2dt30516j","","","0.71069","MoKα","","0.0209","0.0205","","","0.0521","0.0525","","","","","","1.079","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019498","9.9245","0.0004","16.882","0.0007","20.6772","0.0009","90","","94.389","0.002","90","","3454.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Ag2 Cl2 N6 -","- C36 H38 Ag2 Cl2 N6 -","- C144 H152 Ag8 Cl8 N24 -","4","1","","Liu, Ya-Ming; Lin, Yi-Chun; Chen, Wen-Ching; Cheng, Jen-Hao; Chen, Yi-Lin; Yap, Glenn P. A.; Sun, Shih-Sheng; Ong, Tiow-Gan","Synthesis and characterization of para-pyridine linked NHC palladium complexes and their studies for the Heck-Mizoroki coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7382","7389","10.1039/c2dt30520h","","","0.71073","MoKα","","0.0595","0.0416","","","0.1038","0.1146","","","","","","1.092","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019499","9.786","0.002","11.594","0.002","12.312","0.003","90","","109.01","0.03","90","","1320.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Ag Cl N3 -","- C12 H15 Ag Cl N3 -","- C48 H60 Ag4 Cl4 N12 -","4","1","","Liu, Ya-Ming; Lin, Yi-Chun; Chen, Wen-Ching; Cheng, Jen-Hao; Chen, Yi-Lin; Yap, Glenn P. A.; Sun, Shih-Sheng; Ong, Tiow-Gan","Synthesis and characterization of para-pyridine linked NHC palladium complexes and their studies for the Heck-Mizoroki coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7382","7389","10.1039/c2dt30520h","","","0.71073","MoKα","","0.0327","0.0249","","","0.0525","0.0558","","","","","","1.025","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019500","15.775","0.0009","12.1317","0.0008","17.557","0.0012","90","","90","","90","","3360","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Cl2 N6 Pd -","- C36 H38 Cl2 N6 Pd -","- C144 H152 Cl8 N24 Pd4 -","4","0.5","","Liu, Ya-Ming; Lin, Yi-Chun; Chen, Wen-Ching; Cheng, Jen-Hao; Chen, Yi-Lin; Yap, Glenn P. A.; Sun, Shih-Sheng; Ong, Tiow-Gan","Synthesis and characterization of para-pyridine linked NHC palladium complexes and their studies for the Heck-Mizoroki coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7382","7389","10.1039/c2dt30520h","","","0.71073","MoKα","","0.0478","0.0292","","","0.0623","0.067","","","","","","1.051","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019501","12.7736","0.0004","19.7296","0.0007","14.814","0.0005","90","","102.067","0.001","90","","3650.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl2 N6 O3 Pd -","- C38 H42 Cl2 N6 O3 Pd -","- C152 H168 Cl8 N24 O12 Pd4 -","4","1","","Liu, Ya-Ming; Lin, Yi-Chun; Chen, Wen-Ching; Cheng, Jen-Hao; Chen, Yi-Lin; Yap, Glenn P. A.; Sun, Shih-Sheng; Ong, Tiow-Gan","Synthesis and characterization of para-pyridine linked NHC palladium complexes and their studies for the Heck-Mizoroki coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7382","7389","10.1039/c2dt30520h","","","0.71073","MoKα","","0.043","0.0333","","","0.0851","0.091","","","","","","1.024","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019502","7.2059","0.0004","8.5398","0.0004","10.654","0.0005","80.801","0.003","76.925","0.002","87.557","0.002","630.39","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cl2 N6 Pd -","- C24 H30 Cl2 N6 Pd -","- C24 H30 Cl2 N6 Pd -","1","0.5","","Liu, Ya-Ming; Lin, Yi-Chun; Chen, Wen-Ching; Cheng, Jen-Hao; Chen, Yi-Lin; Yap, Glenn P. A.; Sun, Shih-Sheng; Ong, Tiow-Gan","Synthesis and characterization of para-pyridine linked NHC palladium complexes and their studies for the Heck-Mizoroki coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7382","7389","10.1039/c2dt30520h","","","0.71073","MoKα","","0.0195","0.019","","","0.0534","0.0539","","","","","","1.002","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019503","9.827","0.012","12.125","0.012","12.34","0.012","118.865","0.018","92.29","0.02","108.796","0.012","1185","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H60 Ni6 S12 -","- C24 H60 Ni6 S12 -","- C24 H60 Ni6 S12 -","1","0.5","","Tan, Chunhong; Jin, Meiliang; Ma, Xiao; Zhu, Qilong; Huang, Yihui; Wang, Yanlong; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","In situ synthesis of nickel tiara-like clusters with two different thiolate bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8472","8476","10.1039/c2dt30524k","","","0.71073","MoKα","","0.1298","0.0749","","","0.142","0.1716","","","","","","1.099","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019504","10.7339","0.0017","11.6999","0.0018","11.915","0.002","114.975","0.005","109.973","0.004","91.486","0.002","1249.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H72 Ni6 S12 -","- C30 H72 Ni6 S12 -","- C30 H72 Ni6 S12 -","1","0.5","","Tan, Chunhong; Jin, Meiliang; Ma, Xiao; Zhu, Qilong; Huang, Yihui; Wang, Yanlong; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","In situ synthesis of nickel tiara-like clusters with two different thiolate bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8472","8476","10.1039/c2dt30524k","","","0.71073","MoKα","","0.1108","0.0647","","","0.1216","0.1473","","","","","","1.074","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019505","10.042","0.008","21.578","0.014","12.936","0.01","90","","112.96","0.05","90","","2581","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H72 Ni6 S12 -","- C30 H72 Ni6 S12 -","- C60 H144 Ni12 S24 -","2","0.5","","Tan, Chunhong; Jin, Meiliang; Ma, Xiao; Zhu, Qilong; Huang, Yihui; Wang, Yanlong; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","In situ synthesis of nickel tiara-like clusters with two different thiolate bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8472","8476","10.1039/c2dt30524k","","","0.71073","MoKα","","0.089","0.0769","","","0.1514","0.1585","","","","","","1.09","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019506","10.11","0.008","26.08","0.02","20.156","0.014","90","","117.22","0.03","90","","4726","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H140 Ni10 S20 -","- C60 H140 Ni10 S20 -","- C120 H280 Ni20 S40 -","2","0.5","","Tan, Chunhong; Jin, Meiliang; Ma, Xiao; Zhu, Qilong; Huang, Yihui; Wang, Yanlong; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","In situ synthesis of nickel tiara-like clusters with two different thiolate bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8472","8476","10.1039/c2dt30524k","","","0.71073","MoKα","","0.1279","0.0726","","","0.1203","0.1468","","","","","","1.024","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019507","9.0465","0.0006","16.5328","0.001","35.937","0.002","90","","90","","90","","5374.9","0.6","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Br2 N4 O Pd -","- C24 H30 Br2 N4 O Pd -","- C192 H240 Br16 N32 O8 Pd8 -","8","1","","Bernhammer, Jan Christopher; Huynh, Han Vinh","Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8600","8608","10.1039/c2dt30526g","","","0.71073","MoKα","","0.0987","0.0697","","","0.1552","0.1648","","","","","","1.141","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019508","11.706","0.004","15.947","0.005","16.887","0.006","90","","90","","90","","3152.4","1.8","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Br3 Cl3 N4 Pd -","- C25 H30 Br3 Cl3 N4 Pd -","- C100 H120 Br12 Cl12 N16 Pd4 -","4","1","","Bernhammer, Jan Christopher; Huynh, Han Vinh","Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8600","8608","10.1039/c2dt30526g","","","0.71073","MoKα","","0.0953","0.0538","","","0.1173","0.1337","","","","","","0.943","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019509","11.741","0.002","15.964","0.003","16.643","0.003","90","","90","","90","","3119.5","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Br2 Cl3 I N4 Pd -","- C25 H30 Br2 Cl3 I N4 Pd -","- C100 H120 Br8 Cl12 I4 N16 Pd4 -","4","1","","Bernhammer, Jan Christopher; Huynh, Han Vinh","Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8600","8608","10.1039/c2dt30526g","","","0.71073","MoKα","","0.0392","0.036","","","0.093","0.0945","","","","","","1.068","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019510","9.048","0.0003","16.4781","0.0006","35.418","0.0014","90","","90","","90","","5280.6","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Br2 N4 Pd -","- C24 H30 Br2 N4 Pd -","- C192 H240 Br16 N32 Pd8 -","8","1","","Bernhammer, Jan Christopher; Huynh, Han Vinh","Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8600","8608","10.1039/c2dt30526g","","","0.71073","MoKα","","0.0845","0.0647","","","0.1242","0.1314","","","","","","1.199","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019511","13.1597","0.0008","34.881","0.002","14.5029","0.0009","90","","92.819","0.001","90","","6649.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11190","","","- C73 H77 N4 O4 P Zn -","- C73 H77 N4 O4 P Zn -","- C292 H308 N16 O16 P4 Zn4 -","4","1","","Miller, Deanna L.; Lu, Connie C.","Encapsulating zinc(ii) within a hydrophobic cavity.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7464","7466","10.1039/c2dt30529a","","","0.71073","MoKα","","0.0857","0.0523","","","0.1247","0.1371","","","","","","1.057","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019512","11.492","0.005","11.83","0.004","13.682","0.005","90.599","0.002","112.609","0.003","115.276","0.001","1518.4","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H57 N15 O33 V10 Zn2 -","- C30 H57 N15 O33 V10 Zn2 -","- C30 H57 N15 O33 V10 Zn2 -","1","0.5","","Xu, Wentao; Jiang, Feilong; Zhou, Youfu; Xiong, Kecai; Chen, Lian; Yang, Ming; Feng, Rui; Hong, Maochun","Three novel organic-inorganic complexes based on decavanadate [V(10)O(28)](6-) units: special water layers, open 3D frameworks and yellow/blue luminescences.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7737","7745","10.1039/c2dt30532a","","","0.71073","MoKα","","0.0401","0.0327","","","0.0731","0.0776","","","","","","1.057","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019513","12.873","0.005","14.831","0.006","16.274","0.007","86.834","0.013","72.509","0.008","78.682","0.012","2906","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H33 N21 O44 V10 Zn3 -","- C14 H33 N21 O44 V10 Zn3 -","- C28 H66 N42 O88 V20 Zn6 -","2","1","","Xu, Wentao; Jiang, Feilong; Zhou, Youfu; Xiong, Kecai; Chen, Lian; Yang, Ming; Feng, Rui; Hong, Maochun","Three novel organic-inorganic complexes based on decavanadate [V(10)O(28)](6-) units: special water layers, open 3D frameworks and yellow/blue luminescences.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7737","7745","10.1039/c2dt30532a","","","0.71073","MoKα","","0.0957","0.063","","","0.1442","0.1711","","","","","","1.068","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019514","24.677","0.003","18.0396","0.0019","17.2999","0.0018","90","","90","","90","","7701.3","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H13 N10 O21 V5 Zn3 -","- C9 H13 N10 O21 V5 Zn3 -","- C72 H104 N80 O168 V40 Zn24 -","8","1","","Xu, Wentao; Jiang, Feilong; Zhou, Youfu; Xiong, Kecai; Chen, Lian; Yang, Ming; Feng, Rui; Hong, Maochun","Three novel organic-inorganic complexes based on decavanadate [V(10)O(28)](6-) units: special water layers, open 3D frameworks and yellow/blue luminescences.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7737","7745","10.1039/c2dt30532a","","","0.71073","MoKα","","0.058","0.0527","","","0.1501","0.1578","","","","","","1.086","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019515","12.108","0.0004","14.5494","0.0005","20.4353","0.0007","89.7533","0.0009","88.4541","0.0009","83.7668","0.0009","3577.4","0.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H47 Cl N4 O3 Pt -","- C38.5 H47 Cl N4 O3 Pt -","- C154 H188 Cl4 N16 O12 Pt4 -","4","2","","Moriuchi, Toshiyuki; Sakamoto, Yuki; Noguchi, Shunichi; Fujiwara, Takashi; Akine, Shigehisa; Nabeshima, Tatsuya; Hirao, Toshikazu","Design and controlled emission properties of bioorganometallic compounds composed of uracils and organoplatinum(ii) moieties.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8524","8531","10.1039/c2dt30533j","","","0.71075","MoKα","","","0.0646","","","","0.2142","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019516","12.9826","0.0005","17.4845","0.0006","19.8833","0.0008","90","","98.9331","0.0017","90","","4458.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H42 Ir O P3 Si -","- C55 H42 Ir O P3 Si -","- C220 H168 Ir4 O4 P12 Si4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","0.0405","0.0354","","","0.0777","0.0797","","","","","","1.141","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019517","18.7464","0.0013","16.42","0.001","17.019","0.0011","90","","94.933","0.0019","90","","5219.3","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H58 Ge Ir O3 P3 -","- C63 H58 Ge Ir O3 P3 -","- C252 H232 Ge4 Ir4 O12 P12 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","0.0417","0.0383","","","0.0773","0.0788","","","","","","1.171","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019518","9.898","0.002","13.614","0.003","18.389","0.004","91.177","0.002","93.212","0.004","101.952","0.003","2419.1","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Cl2 Ir O P3 Sn -","- C56 H44 Cl2 Ir O P3 Sn -","- C112 H88 Cl4 Ir2 O2 P6 Sn2 -","2","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","0.0393","0.0364","","","0.0881","0.0899","","","","","","1.059","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019519","14.23","0.003","18.674","0.003","18.42","0.003","90","","93.974","0.002","90","","4883","1.5","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 B Cl2 F4 O P3 Rh Si -","- C56 H45 B Cl2 F4 O P3 Rh Si -","- C224 H180 B4 Cl8 F16 O4 P12 Rh4 Si4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","0.059","0.0498","","","0.1153","0.1363","","","","","","1.189","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019520","14.2428","0.0005","18.6561","0.0007","18.3709","0.0007","90","","94.0649","0.0019","90","","4869.1","0.3","200.1","","200.1","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 B Cl2 F4 Ir O P3 Si -","- C56 H45 B Cl2 F4 Ir O P3 Si -","- C224 H180 B4 Cl8 F16 Ir4 O4 P12 Si4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","","0.0235","","","","0.0563","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019521","14.227","0.004","18.686","0.005","18.446","0.005","90","","94.199","0.003","90","","4891","2","200.1","","200.1","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 B Cl2 F4 Ge Ir O P3 -","- C56 H45 B Cl2 F4 Ge Ir O P3 -","- C224 H180 B4 Cl8 F16 Ge4 Ir4 O4 P12 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","","0.0308","","","","0.0961","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019522","14.1693","0.0015","18.8357","0.0014","18.616","0.0019","90","","94.602","0.003","90","","4952.4","0.8","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 B Cl2 F4 Ir O P3 Sn -","- C56 H45 B Cl2 F4 Ir O P3 Sn -","- C224 H180 B4 Cl8 F16 Ir4 O4 P12 Sn4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","0.0327","0.0294","","","0.0634","0.0646","","","","","","1.108","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019523","12.3525","0.0006","23.4548","0.0009","39.06","0.002","90","","100.837","0.002","90","","11114.9","0.9","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 B Cl4 F4 Ir O P3 -","- C57 H49 B Cl4 F4 Ir O P3 -","- C456 H392 B8 Cl32 F32 Ir8 O8 P24 -","8","2","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","0.0776","0.0683","","","0.1712","0.1766","","","","","","1.143","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019524","14.7796","0.0007","21.9897","0.0008","20.0025","0.001","90","","107.692","0.0019","90","","6193.3","0.5","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H57 B Cl5 F4 Ir O3 P4 Si -","- C59.5 H55 B Cl5 F4 Ir O3 P4 Si -","- C238 H220 B4 Cl20 F16 Ir4 O12 P16 Si4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis of iridium complexes bearing {o-(Ph(2)P)C(6)H(4)}(3)E type (E = Si, Ge, and Sn) ligand and evaluation of electron donating ability of group 14 elements E.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8290","8296","10.1039/c2dt30546a","","","0.7107","MoKα","","0.0492","0.043","","","0.0947","0.0973","","","","","","1.128","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019525","10.4238","0.0002","10.7481","0.0002","15.398","0.0003","102.937","0.001","99.004","0.001","92.532","0.001","1654.99","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl2 N4 O4 Zn -","- C38 H30 Cl2 N4 O4 Zn -","- C76 H60 Cl4 N8 O8 Zn2 -","2","1","","Tarushi, Alketa; Totta, Xanthippi; Raptopoulou, Catherine P.; Psycharis, Vassilis; Psomas, George; Kessissoglou, Dimitris P.","Structural features of mono- and tri-nuclear Zn(ii) complexes with a non-steroidal anti-inflammatory drug as ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7082","7091","10.1039/c2dt30547j","","","1.54178","CuKα","","0.0521","0.042","","","0.1124","0.1213","","","","","","1.164","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019526","12.9035","0.0002","22.1385","0.0004","14.6228","0.0002","90","","108.377","0.001","90","","3964.18","0.11","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl2 N4 O5 Zn -","- C44 H40 Cl2 N4 O5 Zn -","- C176 H160 Cl8 N16 O20 Zn4 -","4","1","","Tarushi, Alketa; Totta, Xanthippi; Raptopoulou, Catherine P.; Psycharis, Vassilis; Psomas, George; Kessissoglou, Dimitris P.","Structural features of mono- and tri-nuclear Zn(ii) complexes with a non-steroidal anti-inflammatory drug as ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7082","7091","10.1039/c2dt30547j","","","1.54178","CuKα","","0.0653","0.0531","","","0.1429","0.1562","","","","","","1.134","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019527","9.2336","0.0001","16.8821","0.0003","30.6278","0.0005","90","","95.596","0.001","90","","4751.59","0.13","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl2 N3 O2 Zn -","- C26 H19 Cl2 N3 O2 Zn -","- C208 H152 Cl16 N24 O16 Zn8 -","8","2","","Tarushi, Alketa; Totta, Xanthippi; Raptopoulou, Catherine P.; Psycharis, Vassilis; Psomas, George; Kessissoglou, Dimitris P.","Structural features of mono- and tri-nuclear Zn(ii) complexes with a non-steroidal anti-inflammatory drug as ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7082","7091","10.1039/c2dt30547j","","","1.54178","CuKα","","0.0463","0.0429","","","0.1083","0.1109","","","","","","1.034","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019528","14.3955","0.0002","11.1192","0.0002","24.9784","0.0004","90","","97.75","0.001","90","","3961.68","0.11","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H74 Cl6 N6 O14 Zn3 -","- C86 H74 Cl6 N6 O14 Zn3 -","- C172 H148 Cl12 N12 O28 Zn6 -","2","0.5","","Tarushi, Alketa; Totta, Xanthippi; Raptopoulou, Catherine P.; Psycharis, Vassilis; Psomas, George; Kessissoglou, Dimitris P.","Structural features of mono- and tri-nuclear Zn(ii) complexes with a non-steroidal anti-inflammatory drug as ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7082","7091","10.1039/c2dt30547j","","","1.54178","CuKα","","0.0863","0.0609","","","0.1335","0.1512","","","","","","1.054","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019529","11.5279","0.0005","17.3151","0.0008","25.3288","0.0012","90","","95.082","0.001","90","","5035.9","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Cl9 N3 -","- C54 H38 Cl9 N3 -","- C216 H152 Cl36 N12 -","4","1","","Graczyk, Angelika; Murphy, Frances A.; Nolan, Deanne; Fernández-Moreira, Vanesa; Lundin, Natasha J.; Fitchett, Christopher M.; Draper, Sylvia M.","Terpyridine-fused polyaromatic hydrocarbons generated via cyclodehydrogenation and used as ligands in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7746","7754","10.1039/c2dt30548h","","","0.71073","MoKα","","0.0785","0.0595","","","0.1554","0.1707","","","","","","1.035","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019530","12.2579","0.0007","16.5216","0.0009","18.2312","0.001","66.311","0.001","70.376","0.001","76.766","0.001","3165.7","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H79 Cl4 N3 -","- C73 H79 Cl4 N3 -","- C146 H158 Cl8 N6 -","2","1","","Graczyk, Angelika; Murphy, Frances A.; Nolan, Deanne; Fernández-Moreira, Vanesa; Lundin, Natasha J.; Fitchett, Christopher M.; Draper, Sylvia M.","Terpyridine-fused polyaromatic hydrocarbons generated via cyclodehydrogenation and used as ligands in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7746","7754","10.1039/c2dt30548h","","","0.71073","MoKα","","0.0957","0.0801","","","0.1968","0.207","","","","","","1.076","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019531","13.832","0.0007","13.9122","0.0008","14.6677","0.0009","90","","117.72","0.001","90","","2498.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cu N6 O2 -","- C29 H22 Cu N6 O2 -","- C116 H88 Cu4 N24 O8 -","4","1","","Béziau, Antoine; Baudron, Stéphane A; Hosseini, Mir Wais","Heterometallic coordination polymers incorporating dipyrrin based heteroleptic copper and cobalt complexes: to Ag-π or not?","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7227","7234","10.1039/c2dt30549f","","","0.71073","MoKα","","0.0467","0.0358","","","0.0909","0.1052","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019532","17.2041","0.0005","13.8215","0.0004","19.8539","0.0006","90","","108.151","0.001","90","","4486.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.6 H40.14 Cl4.05 Co N8 O3 -","- C45.596 H40.139 Cl4.053 Co N8 O3 -","- C182.384 H160.556 Cl16.212 Co4 N32 O12 -","4","1","","Béziau, Antoine; Baudron, Stéphane A; Hosseini, Mir Wais","Heterometallic coordination polymers incorporating dipyrrin based heteroleptic copper and cobalt complexes: to Ag-π or not?","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7227","7234","10.1039/c2dt30549f","","","0.71073","MoKα","","0.0713","0.0618","","","0.1479","0.1568","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019533","13.3262","0.0003","13.6246","0.0003","17.0399","0.0003","67.588","0.001","77.949","0.001","76.312","0.001","2754.6","0.1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H78 Ag4 B4 Cu4 F16 N20 O9 -","- C108 H76 Ag4 B4 Cu4 F16 N20 O9 -","- C108 H76 Ag4 B4 Cu4 F16 N20 O9 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A; Hosseini, Mir Wais","Heterometallic coordination polymers incorporating dipyrrin based heteroleptic copper and cobalt complexes: to Ag-π or not?","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7227","7234","10.1039/c2dt30549f","","","0.71073","MoKα","","0.1037","0.064","","","0.1833","0.206","","","","","","1.052","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019534","8.4564","0.0004","29.9025","0.0015","11.4789","0.0006","90","","94.424","0.001","90","","2894","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Ag Cu F3 N5 O5 S -","- C28 H19 Ag Cu F3 N5 O5 S -","- C112 H76 Ag4 Cu4 F12 N20 O20 S4 -","4","1","","Béziau, Antoine; Baudron, Stéphane A; Hosseini, Mir Wais","Heterometallic coordination polymers incorporating dipyrrin based heteroleptic copper and cobalt complexes: to Ag-π or not?","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7227","7234","10.1039/c2dt30549f","","","0.71073","MoKα","","0.0916","0.0688","","","0.1739","0.2002","","","","","","1.135","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019535","12.2277","0.0003","13.9112","0.0003","14.0886","0.0003","89.942","0.001","70.741","0.001","84.912","0.001","2252.45","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H37 Ag Co F6 N10 O3 Sb -","- C45 H37 Ag Co F6 N10 O3 Sb -","- C90 H74 Ag2 Co2 F12 N20 O6 Sb2 -","2","1","","Béziau, Antoine; Baudron, Stéphane A; Hosseini, Mir Wais","Heterometallic coordination polymers incorporating dipyrrin based heteroleptic copper and cobalt complexes: to Ag-π or not?","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7227","7234","10.1039/c2dt30549f","","","0.71073","MoKα","","0.0455","0.0361","","","0.0957","0.108","","","","","","1.078","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019536","12.4775","0.0009","14.1836","0.001","14.2334","0.0011","92.645","0.002","101.045","0.002","103.095","0.003","2397.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H82 Ag2 Co2 F6 N22 O10 S2 -","- C102 H82 Ag2 Co2 F6 N22 O10 S2 -","- C102 H82 Ag2 Co2 F6 N22 O10 S2 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A; Hosseini, Mir Wais","Heterometallic coordination polymers incorporating dipyrrin based heteroleptic copper and cobalt complexes: to Ag-π or not?","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7227","7234","10.1039/c2dt30549f","","","0.71073","MoKα","","0.1116","0.0885","","","0.2398","0.2539","","","","","","1.117","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019537","13.4689","0.0007","24.9231","0.0014","15.5837","0.0009","90","","98.821","0.002","90","","5169.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 Ag Co F3 N9 O5 S -","- C50 H38 Ag Co F3 N9 O5 S -","- C200 H152 Ag4 Co4 F12 N36 O20 S4 -","4","1","","Béziau, Antoine; Baudron, Stéphane A; Hosseini, Mir Wais","Heterometallic coordination polymers incorporating dipyrrin based heteroleptic copper and cobalt complexes: to Ag-π or not?","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7227","7234","10.1039/c2dt30549f","","","0.71073","MoKα","","0.0967","0.0807","","","0.2446","0.2635","","","","","","1.149","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019538","11.372","0.003","11.437","0.003","16.766","0.004","76.947","0.011","84.836","0.012","72.451","0.011","2024.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cu2 N6 O8 S -","- C44 H40 Cu2 N6 O8 S -","- C88 H80 Cu4 N12 O16 S2 -","2","1","","Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Martínez-Rodríguez, Luis; González-Bello, Concepción; Lence, Emilio; García-Deibe, Ana M; Fondo, Matilde","Structural variety of zinc and copper complexes based on a 2,3-disubstituted 1,2,3,4-tetrahydroquinazoline ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6998","7004","10.1039/c2dt30550j","","","0.71073","MoKα","","0.0656","0.0394","","","0.0823","0.092","","","","","","1.028","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019539","26.385","0.004","10.0122","0.0013","17.57","0.002","90","","94.269","0.002","90","","4628.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 N6 O8.5 S2 Zn -","- C50 H48 N6 O8.5 S2 Zn -","- C200 H192 N24 O34 S8 Zn4 -","4","1","","Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Martínez-Rodríguez, Luis; González-Bello, Concepción; Lence, Emilio; García-Deibe, Ana M; Fondo, Matilde","Structural variety of zinc and copper complexes based on a 2,3-disubstituted 1,2,3,4-tetrahydroquinazoline ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6998","7004","10.1039/c2dt30550j","","","0.71073","MoKα","","0.083","0.048","","","0.1183","0.1363","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019540","12.1844","0.0006","40.006","0.002","24.0254","0.0013","90","","91.675","0.001","90","","11706.2","1","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C135 H129 Fe3 N3 O3 P6 -","- C135 H129 Fe3 N3 O3 P6 -","- C540 H516 Fe12 N12 O12 P24 -","4","1","","Trujillo, Alexander; Veillard, Romain; Argouarch, Gilles; Roisnel, Thierry; Singh, Anu; Ledoux, Isabelle; Paul, Frédéric","Triaryl-1,3,5-triazinane-2,4,6-triones functionalized with electron-rich Fe(ii) and Ru(ii) acetylide complexes: new organometallic octupoles with large hyperpolarizabilities.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7454","7456","10.1039/c2dt30555k","","x-ray","0.71073","MoKα","","0.1036","0.0505","","","0.1107","0.1225","","","","","","0.997","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019541","16.107","0.005","9.505","0.005","16.249","0.005","90","","104.168","0.005","90","","2412","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Cu2 N4 P2 S2 -","- C54 H52 Cu2 N4 P2 S2 -","- C108 H104 Cu4 N8 P4 S4 -","2","0.5","","Bowmaker, Graham A.; Hanna, John V.; Hart, Robert D.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Skelton, Brian W.; Tabacaru, Aurel; White, Allan H.","Mechanochemical and solution synthesis, X-ray structure and IR and (31)P solid state NMR spectroscopic studies of copper(i) thiocyanate adducts with bulky monodentate tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7513","7525","10.1039/c2dt30579h","","","0.71073","MoKα","","0.0414","0.0275","","","0.0716","0.0736","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019542","13.3546","0.0003","11.6352","0.0006","23.1007","0.0014","90","","92.171","0.003","90","","3586.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H66 Cu N P2 S -","- C37 H66 Cu N P2 S -","- C148 H264 Cu4 N4 P8 S4 -","4","1","","Bowmaker, Graham A.; Hanna, John V.; Hart, Robert D.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Skelton, Brian W.; Tabacaru, Aurel; White, Allan H.","Mechanochemical and solution synthesis, X-ray structure and IR and (31)P solid state NMR spectroscopic studies of copper(i) thiocyanate adducts with bulky monodentate tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7513","7525","10.1039/c2dt30579h","","","0.71073","MoKα","","0.0617","0.0348","","","0.0808","0.0851","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019543","9.3118","0.0002","17.5977","0.0004","13.3941","0.0004","90","","101.068","0.003","90","","2154.02","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Cu2 N4 P2 S2 -","- C48 H48 Cu2 N4 P2 S2 -","- C96 H96 Cu4 N8 P4 S4 -","2","0.5","","Bowmaker, Graham A.; Hanna, John V.; Hart, Robert D.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Skelton, Brian W.; Tabacaru, Aurel; White, Allan H.","Mechanochemical and solution synthesis, X-ray structure and IR and (31)P solid state NMR spectroscopic studies of copper(i) thiocyanate adducts with bulky monodentate tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7513","7525","10.1039/c2dt30579h","","","0.71073","MoKα","","0.0553","0.0316","","","0.0667","0.0696","","","","","","0.907","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019544","11.0989","0.0003","12.2641","0.0004","12.1268","0.0004","90","","96.516","0.003","90","","1640.01","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 Cu2 N2 P2 S2 -","- C26 H54 Cu2 N2 P2 S2 -","- C52 H108 Cu4 N4 P4 S4 -","2","0.5","","Bowmaker, Graham A.; Hanna, John V.; Hart, Robert D.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Skelton, Brian W.; Tabacaru, Aurel; White, Allan H.","Mechanochemical and solution synthesis, X-ray structure and IR and (31)P solid state NMR spectroscopic studies of copper(i) thiocyanate adducts with bulky monodentate tertiary phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7513","7525","10.1039/c2dt30579h","","","0.71073","MoKα","","0.0541","0.0338","","","0.0825","0.0848","","","","","","1.091","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019545","12.8725","0.0002","23.8018","0.0003","17.6715","0.0002","90","","127.088","0.001","90","","4319.08","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H12 N4 O19 Ru6 -","- C35 H12 N4 O19 Ru6 -","- C140 H48 N16 O76 Ru24 -","4","1","","Cabeza, Javier A.; Pruneda, Vanessa","Reactions of phthalazine, quinazoline, 4,7-phenanthroline and 2,3'-bipyridine with ruthenium carbonyl.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7249","7257","10.1039/c2dt30583f","","","1.5418","CuKα","","0.0684","0.0342","","","0.0747","0.0868","","","","","","1.015","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019546","39.1794","0.0001","7.7483","0.0001","16.9502","0.0002","90","","112.398","0.001","90","","4757.45","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H14 Cl2 N4 O20 Ru6 -","- C37 H14 Cl2 N4 O20 Ru6 -","- C148 H56 Cl8 N16 O80 Ru24 -","4","0.5","","Cabeza, Javier A.; Pruneda, Vanessa","Reactions of phthalazine, quinazoline, 4,7-phenanthroline and 2,3'-bipyridine with ruthenium carbonyl.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7249","7257","10.1039/c2dt30583f","","","1.5418","CuKα","","0.0383","0.029","","","0.0756","0.087","","","","","","1.041","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019547","12.9629","0.0003","14.4595","0.0003","15.7626","0.0004","79.663","0.001","88.872","0.001","74.615","0.001","2801.17","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H30 N8 O19 Ru6 -","- C53 H30 N8 O19 Ru6 -","- C106 H60 N16 O38 Ru12 -","2","1","","Cabeza, Javier A.; Pruneda, Vanessa","Reactions of phthalazine, quinazoline, 4,7-phenanthroline and 2,3'-bipyridine with ruthenium carbonyl.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7249","7257","10.1039/c2dt30583f","","","0.71073","MoKα","","0.0435","0.0289","","","0.0813","0.114","","","","","","1.082","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019548","7.7728","0.0003","33.3854","0.0012","17.3761","0.0006","90","","98.649","0.004","90","","4457.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H8 N2 O20 Ru6 -","- C32 H8 N2 O20 Ru6 -","- C128 H32 N8 O80 Ru24 -","4","1","","Cabeza, Javier A.; Pruneda, Vanessa","Reactions of phthalazine, quinazoline, 4,7-phenanthroline and 2,3'-bipyridine with ruthenium carbonyl.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7249","7257","10.1039/c2dt30583f","","","1.54184","CuKα","","0.1329","0.0839","","","0.2404","0.2627","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019549","9.158","","13.1298","0.0001","18.1893","0.0001","90","","91.751","0.001","90","","2186.11","0.02","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 N2 O9 Ru3 -","- C19 H8 N2 O9 Ru3 -","- C76 H32 N8 O36 Ru12 -","4","1","","Cabeza, Javier A.; Pruneda, Vanessa","Reactions of phthalazine, quinazoline, 4,7-phenanthroline and 2,3'-bipyridine with ruthenium carbonyl.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7249","7257","10.1039/c2dt30583f","","","1.5418","CuKα","","0.0268","0.0257","","","0.0659","0.0669","","","","","","1.063","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019550","5.4362","0.0003","14.4583","0.0007","17.0112","0.0009","90","","94.358","0.001","90","","1333.18","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tl(Mes_Pic)","(6-mesityl-2-picolinate)thallium(I)","","- C15 H14 N O2 Tl -","- C15 H14 N O2 Tl -","- C60 H56 N4 O8 Tl4 -","4","1","","Smith, Patrick W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Coordination and structural properties of encumbering 6-mesityl-2-picolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8031","8038","10.1039/c2dt30585b","","","0.71073","MoKα","","0.0264","0.02","","","0.0429","0.0457","","","","","","1.031","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019551","9.7875","0.0006","11.8633","0.0007","18.2575","0.001","101.736","0.001","102.845","0.001","103.308","0.001","1937.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[NBu4][CoI2(Mes_pic)]","tetrabutlyammonium diiodo(6-mesityl-2-picolinate) Cobalt(II)","","- C37 H56 Co I2 N2 O2 -","- C37 H56 Co I2 N2 O2 -","- C74 H112 Co2 I4 N4 O4 -","2","1","","Smith, Patrick W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Coordination and structural properties of encumbering 6-mesityl-2-picolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8031","8038","10.1039/c2dt30585b","","","0.71073","MoKα","","0.0416","0.032","","","0.0648","0.0715","","","","","","1.036","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019552","19.0917","0.0014","7.7213","0.0006","17.8169","0.0013","90","","90","","90","","2626.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cu(Mes_pic)2","bis-(6-mesityl-2-picolinate) copper(II)","","- C30 H28 Cu N2 O4 -","- C30 H28 Cu N2 O4 -","- C120 H112 Cu4 N8 O16 -","4","1","","Smith, Patrick W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Coordination and structural properties of encumbering 6-mesityl-2-picolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8031","8038","10.1039/c2dt30585b","","","0.71073","MoKα","","0.0348","0.0294","","","0.0688","0.0725","","","","","","1.035","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019553","11.7453","0.0016","12.1951","0.0015","29.336","0.004","90","","96.98","0.007","90","","4170.8","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","V(Mes_pic)3","tris-(6-mesityl-2-picolinate) vanadium(III)","","- C49 H50 N3 O7 V -","- C49 H50 N3 O7 V -","- C196 H200 N12 O28 V4 -","4","1","","Smith, Patrick W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Coordination and structural properties of encumbering 6-mesityl-2-picolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8031","8038","10.1039/c2dt30585b","","","0.71073","MoKα","","0.1537","0.062","","","0.0931","0.114","","","","","","1.022","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019554","14.002","0.002","14.255","0.002","24.591","0.004","102.52","0.02","96.09","0.02","96.61","0.02","4716.1","1.3","301","2","301","2","","","","","","","","8","P -1","-P 1","2","","","","- C97 H82 Ag F3 N10 O3 Pt2 S -","- C97 H82 Ag F3 N10 O3 Pt2 S -","- C194 H164 Ag2 F6 N20 O6 Pt4 S2 -","2","1","","Lam, Elizabeth Suk Hang; Tam, Anthony Yiu-Yan; Lam, Wai Han; Wong, Keith Man-Chung; Zhu, Nianyong; Yam, Vivian Wing-Wah","Structure, photophysical properties and computational study of a highly luminescent mixed-metal platinum(ii)-silver(i) system. Potential building blocks for emissive supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8773","8776","10.1039/c2dt30598d","","","0.71073","MoKα","","0.0818","0.0559","","","0.1652","0.1802","","","","","","1.009","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019555","10.168","0.002","11.251","0.002","20.709","0.004","102.76","0.03","99.5","0.03","92.84","0.03","2269.8","0.8","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","tris(N,N-diethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine-F,N,N'/F,N) -lanthanum(iii) toluene solvate","","- C43 H53 F12 La N6 -","- C42.999 H53 F12 La N6 -","- C85.998 H106 F24 La2 N12 -","2","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.0756","0.0674","","","0.1541","0.1585","","","","","","1.22","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019556","22.6999","0.0003","22.6999","0.0003","53.1241","0.0012","90","","90","","120","","23706.6","0.7","123","1","123","1","","","","","","","","5","R -3 :H","-R 3","148","","hexa(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine-F,N,N') -tris-fluoro-trislanthanum(iii) toluene solvate","","- C70.5 H78 F27 La3 N12 -","- C70.5 H78 F27 La3 N12 -","- C846 H936 F324 La36 N144 -","12","0.666667","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.0928","0.0515","","","0.1213","0.1577","","","","","","1.173","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019557","10.233","0.002","11.421","0.002","18.757","0.004","81.03","0.03","78.85","0.03","85.71","0.03","2122.2","0.8","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","tris(N,N-diethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine-F,N,N'/F,N) -cerium(iii) toluene solvate","","- C39.5 H49 Ce F12 N6 -","- C39.5 H49 Ce F12 N6 -","- C79 H98 Ce2 F24 N12 -","2","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.2151","0.081","","","0.1454","0.1922","","","","","","0.975","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019558","22.712","0.003","22.712","0.003","53.514","0.011","90","","90","","120","","23906","7","123","1","123","1","","","","","","","","5","R -3 :H","-R 3","148","hexa(N,N-dimethyl-N'-(2,3,5,6- tetrafluorophenyl)ethylenediamine-F,N,N') -tris-fluoro-triscerium(iii) toluene solvate","hexa(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine-F,N,N') -tris-fluoro-triscerium(iii) toluene solvate","","- C70.5 H78 Ce3 F27 N12 -","- C70.5 H78 Ce3 F27 N12 -","- C846 H936 Ce36 F324 N144 -","12","0.666667","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.1573","0.0641","","","0.1438","0.1894","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019559","9.7596","0.0003","9.7779","0.0003","17.8383","0.0006","89.367","0.002","75.192","0.002","81.488","0.002","1626.98","0.09","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","tris(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine -F,N,N'/N,N)-neodymium(iii)","","- C30 H33 F12 N6 Nd -","- C30 H33 F12 N6 Nd -","- C60 H66 F24 N12 Nd2 -","2","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.0217","0.0202","","","0.0511","0.0522","","","","","","1.069","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019560","21.12","0.004","10.559","0.002","17.562","0.004","90","","103.42","0.03","90","","3809.5","1.4","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(N,N-diethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine -F,N,N'/F,N)-neodymium(iii)","","- C36 H45 F12 N6 Nd -","- C36 H45 F12 N6 Nd -","- C144 H180 F48 N24 Nd4 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.1182","0.0619","","","0.1309","0.1572","","","","","","1.012","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019561","18.5793","0.0005","22.1566","0.0006","28.3427","0.0007","90","","90","","90","","11667.4","0.5","123","1","123","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","tetrakis(N,N-dimethyl-N'-(2,3,5,6- tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii) hexane solvate","tetrakis(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii) hexane solvate","","- C54 H70 F18 N8 Nd2 -","- C48 H56 F18 N8 Nd2 -","- C384 H448 F144 N64 Nd16 -","8","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.039","0.029","","","0.0723","0.0757","","","","","","1.143","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019562","12.115","0.002","12.644","0.003","20.204","0.004","72.95","0.03","76.68","0.03","68.6","0.03","2728.3","1.2","123","1","123","1","","","","","","","","5","P -1","-P 1","2","tetrakis(N,N-diethyl-N'-(2,3,5,6- tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii)","tetrakis(N,N-diethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii)","","- C48 H60 F18 N8 Nd2 -","- C48 H60 F18 N8 Nd2 -","- C96 H120 F36 N16 Nd4 -","2","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.055","0.0503","","","0.137","0.1415","","","","","","1.047","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019563","9.472","0.005","9.871","0.006","32.954","0.017","90","","90","","90","","3081","3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C144 H128 N16 S16 -","8","1","","Song, Li-Cheng; Sun, Xiao-Jing; Zhao, Pei-Hua; Li, Jia-Peng; Song, Hai-Bin","Synthesis, characterization and some properties of mononuclear Ni and trinuclear NiFe(2) complexes related to the active site of [NiFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8941","8950","10.1039/c2dt30609c","","","0.71073","MoKα","","0.0576","0.0471","","","0.1043","0.1111","","","","","","1.08","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019564","13.449","0.003","22.132","0.009","8.0234","0.0016","90","","99.12","0.03","90","","2358","1.2","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H33 Cl2 N2 Ni O2.5 S2 -","- C23.49 H16 Cl2 N2 Ni O2.48 S2 -","- C93.96 H64 Cl8 N8 Ni4 O9.92 S8 -","4","0.5","","Song, Li-Cheng; Sun, Xiao-Jing; Zhao, Pei-Hua; Li, Jia-Peng; Song, Hai-Bin","Synthesis, characterization and some properties of mononuclear Ni and trinuclear NiFe(2) complexes related to the active site of [NiFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8941","8950","10.1039/c2dt30609c","","","0.71073","MoKα","","0.0365","0.0347","","","0.0777","0.0784","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019565","8.95","0.004","9.773","0.004","16.464","0.007","104.53","0.02","97.18","0.04","100.87","0.03","1346.3","1","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26.5 Br2 N2 Ni O2 S3 -","- C25 H22 Br2 N2 Ni O2.25 S3 -","- C50 H44 Br4 N4 Ni2 O4.5 S6 -","2","1","","Song, Li-Cheng; Sun, Xiao-Jing; Zhao, Pei-Hua; Li, Jia-Peng; Song, Hai-Bin","Synthesis, characterization and some properties of mononuclear Ni and trinuclear NiFe(2) complexes related to the active site of [NiFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8941","8950","10.1039/c2dt30609c","","","0.71073","MoKα","","0.0654","0.0532","","","0.1513","0.1597","","","","","","1.131","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019566","17.91","0.002","19.919","0.002","14.2714","0.0014","90","","128.341","0.004","90","","3993.3","0.7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 I2 N2 Ni S2 -","- C18 H16 I2 N2 Ni S2 -","- C144 H128 I16 N16 Ni8 S16 -","8","1","","Song, Li-Cheng; Sun, Xiao-Jing; Zhao, Pei-Hua; Li, Jia-Peng; Song, Hai-Bin","Synthesis, characterization and some properties of mononuclear Ni and trinuclear NiFe(2) complexes related to the active site of [NiFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8941","8950","10.1039/c2dt30609c","","","0.71075","MoKα","","0.0343","0.0328","","","0.0799","0.0823","","","","","","1.21","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019567","18.319","0.0018","8.4965","0.0009","21.474","0.002","90","","90","","90","","3342.4","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Cl2 Cu N12 -","- C30 H36 Cl2 Cu N12 -","- C120 H144 Cl8 Cu4 N48 -","4","0.5","","Sun, Haixia; Xie, Wenli; Lv, Shenghong; Xu, Yan; Wu, Yong; Zhou, Yaoming; Ma, Zhenmao; Fang, Min; Liu, Hong-Ke","Two solvent and temperature dependent copper(ii) compounds formed by a flexible ligand: syntheses, structures and SC-SC transformation.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7590","7594","10.1039/c2dt30611e","","","0.71073","MoKα","","0.0559","0.0335","","","0.0786","0.0932","","","","","","1.034","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019568","15.934","0.007","11.519","0.005","23.519","0.011","90","","109.216","0.006","90","","4076","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 Cl2 Cu N12.5 O3.75 -","- C31 H43.5 Cl2 Cu N12.5 O3.75 -","- C124 H174 Cl8 Cu4 N50 O15 -","4","1","","Sun, Haixia; Xie, Wenli; Lv, Shenghong; Xu, Yan; Wu, Yong; Zhou, Yaoming; Ma, Zhenmao; Fang, Min; Liu, Hong-Ke","Two solvent and temperature dependent copper(ii) compounds formed by a flexible ligand: syntheses, structures and SC-SC transformation.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7590","7594","10.1039/c2dt30611e","","","0.71073","MoKα","","0.0669","0.0542","","","0.1706","0.1759","","","","","","1.151","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019569","19.958","0.005","10.403","0.005","17.406","0.005","90","0.005","107.496","0.005","90","0.005","3447","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cd N4 S2 -","- C41 H36 Cd N4 S2 -","- C164 H144 Cd4 N16 S8 -","4","1","","Zhang, Qiong; Gao, Yuanhao; Zhang, Shengyi; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Tian, Yupeng","Photophysical properties of spherical aggregations of CdS nanocrystals capped with a chromophoric surface agent.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7067","7072","10.1039/c2dt30622k","","","0.71069","MoKα","","0.0739","0.0478","","","0.129","0.1543","","","","","","1.005","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019570","11.8241","0.0009","19.9619","0.0015","18.612","0.0014","90","","100.874","0.001","90","","4314.1","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","2a","","","- C42 H42 Ag Al F6 N3 O6 P -","- C42 H42 Ag Al F6 N3 O6 P -","- C168 H168 Ag4 Al4 F24 N12 O24 P4 -","4","1","","Merkens, Carina; Becker, Nils; Lamberts, Kevin; Englert, Ulli","Bimetallic coordination networks based on Al(acacCN)(3): a building block between inertness and lability.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8594","8599","10.1039/c2dt30623a","","","0.71073","MoKα","","0.0564","0.0394","","","0.0815","0.0902","","","","","","1.066","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019571","11.3849","0.0009","12.2052","0.001","13.1682","0.0011","109.166","0.0018","106.18","0.0018","105.849","0.0019","1519.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2b","","","- C21 H30 Ag Al F6 N3 O9 P -","- C21 H30 Ag Al F6 N3 O9 P -","- C42 H60 Ag2 Al2 F12 N6 O18 P2 -","2","1","","Merkens, Carina; Becker, Nils; Lamberts, Kevin; Englert, Ulli","Bimetallic coordination networks based on Al(acacCN)(3): a building block between inertness and lability.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8594","8599","10.1039/c2dt30623a","","","0.71073","MoKα","","0.0884","0.066","","","0.1714","0.1876","","","","","","1.039","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019572","14.0563","0.0004","14.0563","0.0004","14.0563","0.0004","90","","90","","90","","2777.24","0.14","100","2","100","2","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","2c","","","- C19 H19 Ag Al Cl3 F6 N3 O6 P -","- C19 H19 Ag Al Cl3 F6 N3 O6 P -","- C76 H76 Ag4 Al4 Cl12 F24 N12 O24 P4 -","4","0.333333","","Merkens, Carina; Becker, Nils; Lamberts, Kevin; Englert, Ulli","Bimetallic coordination networks based on Al(acacCN)(3): a building block between inertness and lability.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8594","8599","10.1039/c2dt30623a","","","0.71073","MoKα","","0.0322","0.0304","","","0.0757","0.0769","","","","","","1.063","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019573","10.56","0.003","12.324","0.004","13.523","0.004","115.784","0.004","107.908","0.005","92.183","0.005","1477.3","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","3a","","","- C23 H25 Ag Al F3 N3 O10 S -","- C23 H25 Ag Al F3 N3 O10 S -","- C46 H50 Ag2 Al2 F6 N6 O20 S2 -","2","1","","Merkens, Carina; Becker, Nils; Lamberts, Kevin; Englert, Ulli","Bimetallic coordination networks based on Al(acacCN)(3): a building block between inertness and lability.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8594","8599","10.1039/c2dt30623a","","","0.71073","MoKα","","0.0601","0.0428","","","0.0898","0.0974","","","","","","1.042","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019574","10.5796","0.0014","12.4622","0.0016","13.5444","0.0018","115.754","0.0018","107.724","0.002","93.484","0.0021","1492.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","3b","","","- C47 H52 Ag2 Al2 F6 N6 O20 S2 -","- C47 H52 Ag2 Al2 F6 N6 O20 S2 -","- C47 H52 Ag2 Al2 F6 N6 O20 S2 -","1","0.5","","Merkens, Carina; Becker, Nils; Lamberts, Kevin; Englert, Ulli","Bimetallic coordination networks based on Al(acacCN)(3): a building block between inertness and lability.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8594","8599","10.1039/c2dt30623a","","","0.71073","MoKα","","0.0449","0.0379","","","0.0886","0.0931","","","","","","1.053","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019575","7.5718","0.001","10.8468","0.0015","23.771","0.003","90","","90","","90","","1952.3","0.4","100","2","100","2","","","","","","","","6","P c c m","-P 2 2c","49","3c_100K","","","- C13 H26.5 Ag0.5 Al N2 O11 -","- C13 H15 Ag0.5 Al N2 O5 -","- C52 H60 Ag2 Al4 N8 O20 -","4","0.5","","Merkens, Carina; Becker, Nils; Lamberts, Kevin; Englert, Ulli","Bimetallic coordination networks based on Al(acacCN)(3): a building block between inertness and lability.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8594","8599","10.1039/c2dt30623a","","","0.71073","MoKα","","0.0832","0.0615","","","0.1444","0.1547","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019576","26.1991","0.0018","12.9957","0.0009","25.5151","0.0016","90","","103.672","0.003","90","","8441.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Cl4 N16 O15 Ru2 -","- C72 H50 Cl4 N16 O15 Ru2 -","- C288 H200 Cl16 N64 O60 Ru8 -","4","1","","Saha, Debasish; Das, Shyamal; Mardanya, Sourav; Baitalik, Sujoy","Structural characterization and spectroelectrochemical, anion sensing and solvent dependence photophysical studies of a bimetallic Ru(ii) complex derived from 1,3-di(1H-imidazo[4,5-f][1,10]phenanthroline-2-yl)benzene.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8886","8898","10.1039/c2dt30633f","","","0.71073","MoKα","","0.1214","0.0726","","","0.2026","0.2367","","","","","","0.806","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019577","14.71","0.006","13.941","0.006","8.914","0.004","90","","98.046","0.008","90","","1810","1.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound1","","","- C26 H53 Dy2 O16 -","- C26 H48 Dy2 O16 -","- C52 H96 Dy4 O32 -","2","0.5","","Joarder, Biplab; Chaudhari, Abhijeet K.; Rogez, Guillaume; Ghosh, Sujit K.","A carboxylate-based dinuclear dysprosium(iii) cluster exhibiting slow magnetic relaxation behaviour.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7695","7699","10.1039/c2dt30643c","","","0.71073","MoKα","","0.0242","0.0242","","","0.065","0.065","","","","","","1.103","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019578","21.9175","0.0012","10.2819","0.0003","7.0879","0.0003","90","","90","","90","","1597.28","0.12","120","2","120","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C6 H10 Co O5 -","- C6 H10 Co O5 -","- C48 H80 Co8 O40 -","8","","","Saines, Paul J.; Tan, Jin-Chong; Yeung, Hamish H.-M.; Barton, Phillip T.; Cheetham, Anthony K.","Layered inorganic-organic frameworks based on the 2,2-dimethylsuccinate ligand: structural diversity and its effect on nanosheet exfoliation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8585","8593","10.1039/c2dt30648d","","","0.71073","MoKα","","0.0564","0.0479","","","0.1254","0.1295","","","","","","1.16","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019579","5.7864","0.0002","12.1514","0.0006","12.1524","0.0007","73.604","0.005","81.487","0.004","84.066","0.003","808.98","0.07","121","2","121","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H18 Co3 O10 -","- C12 H18 Co3 O10 -","- C24 H36 Co6 O20 -","2","1","","Saines, Paul J.; Tan, Jin-Chong; Yeung, Hamish H.-M.; Barton, Phillip T.; Cheetham, Anthony K.","Layered inorganic-organic frameworks based on the 2,2-dimethylsuccinate ligand: structural diversity and its effect on nanosheet exfoliation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8585","8593","10.1039/c2dt30648d","","","0.71073","MoKα","","0.0637","0.0533","","","0.137","0.1432","","","","","","1.147","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019580","10.5108","0.0008","11.5667","0.001","11.9714","0.001","99.347","0.007","114.566","0.008","106.545","0.007","1201.3","0.2","121","2","121","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 O26 Zn7 -","- C36 H50 O26 Zn7 -","- C36 H50 O26 Zn7 -","1","0.5","","Saines, Paul J.; Tan, Jin-Chong; Yeung, Hamish H.-M.; Barton, Phillip T.; Cheetham, Anthony K.","Layered inorganic-organic frameworks based on the 2,2-dimethylsuccinate ligand: structural diversity and its effect on nanosheet exfoliation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8585","8593","10.1039/c2dt30648d","","","0.71073","MoKα","","0.0361","0.0267","","","0.0537","0.0576","","","","","","1.027","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019581","6.2511","0.0006","9.8961","0.0011","12.225","0.002","101.862","0.013","102.726","0.013","90.012","0.008","721.11","0.17","120","","120","","","","","","","","","4","P -1","-P 1","2","Dilithium 2,2-dimethylsuccinate","Dilithium 2,2-dimethylsuccinate","","- C6 H8 Li2 O4 -","- C6 H8 Li2 O4 -","- C24 H32 Li8 O16 -","4","2","","Saines, Paul J.; Tan, Jin-Chong; Yeung, Hamish H.-M.; Barton, Phillip T.; Cheetham, Anthony K.","Layered inorganic-organic frameworks based on the 2,2-dimethylsuccinate ligand: structural diversity and its effect on nanosheet exfoliation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8585","8593","10.1039/c2dt30648d","","","0.7107","MoKα","","0.12","0.091","","","0.2523","0.2695","","","","","","1.009","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019582","9.19","0.0018","8.244","0.002","23.527","0.002","90","","90","","90","","1782.5","0.6","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C8 H20 Cl F6 N2 P Ru S3 -","- C8 H20 Cl F6 N2 P Ru S3 -","- C32 H80 Cl4 F24 N8 P4 Ru4 S12 -","4","0.5","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","Mokα","","0.0526","0.0412","","","0.1134","0.1174","","","","","","1.076","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019583","27.275","0.004","10.48","0.003","10.403","0.003","90","","90","","90","","2973.6","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H21 Cl2 N3 Ru S3 -","- C6 H21 Cl2 N3 Ru S3 -","- C48 H168 Cl16 N24 Ru8 S24 -","8","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","Mokα","","0.0728","0.0387","","","0.0846","0.0907","","","","","","0.999","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019584","17.524","0.005","14.026","0.003","12.357","0.003","90","","90","","90","","3037.2","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl N O2 Ru S3 -","- C12 H16 Cl N O2 Ru S3 -","- C96 H128 Cl8 N8 O16 Ru8 S24 -","8","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","Mokα","","0.0907","0.0405","","","0.0907","0.104","","","","","","0.898","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019585","8.235","0.003","16.651","0.004","29.04","0.004","90","","90","","90","","3982","1.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H31 Cl2 N3 O3 Ru S2 -","- C11 H31 Cl2 N3 O3 Ru S2 -","- C88 H248 Cl16 N24 O24 Ru8 S16 -","8","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","MoKα","","0.0632","0.036","","","0.0757","0.0806","","","","","","0.839","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019586","7.086","0.0009","10.896","0.001","13.063","0.0012","92.552","0.01","101.365","0.008","93.978","0.009","984.68","0.18","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H27 Cl F6 N3 O2 P Ru S2 -","- C10 H27 Cl F6 N3 O2 P Ru S2 -","- C20 H54 Cl2 F12 N6 O4 P2 Ru2 S4 -","2","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.8","synchrotron","","0.0303","0.0297","","","0.0793","0.0808","","","","","","1.133","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019587","33.027","0.005","8.391","0.002","15.971","0.003","90","","117.27","0.02","90","","3934.1","1.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H31 Cl2 N5 O2 Ru S -","- C10 H31 Cl2 N5 O2 Ru S -","- C80 H248 Cl16 N40 O16 Ru8 S8 -","8","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","MoKα","","0.0498","0.0422","","","0.1204","0.1239","","","","","","0.973","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019588","22.863","0.003","11.769","0.002","24.381","0.003","90","","111.515","0.01","90","","6103.2","1.6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H31 F12 N5 O2 P2 Ru S -","- C18 H29 F12 N5 O2 P2 Ru S -","- C144 H232 F96 N40 O16 P16 Ru8 S8 -","8","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","Mokα","","0.1189","0.0638","","","0.1692","0.1888","","","","","","0.883","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019589","7.77","0.002","13.218","0.003","18.553","0.004","90","","96.24","0.02","90","","1894.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Cl2 N5 O Ru -","- C16 H25 Cl2 N5 O Ru -","- C64 H100 Cl8 N20 O4 Ru4 -","4","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.8","synchrotron","","0.0606","0.0544","","","0.1368","0.1413","","","","","","1.09","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019590","24.181","0.004","26.241","0.004","14.983","0.002","90","","124.473","0.003","90","","7838","2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H68 As8 N12 O72 V16 -","- C60 H68 As8 N12 O72 V16 -","- C120 H136 As16 N24 O144 V32 -","2","0.25","","Chen, Baokuan; Wang, Bo; Lin, Zhengguo; Fan, Linyuan; Gao, Yuanzhe; Chi, Yingnan; Hu, Changwen","Controlled solvothermal synthesis of novel organic functionalized polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6910","6913","10.1039/c2dt30660c","","","0.71073","MoKα","","0.1057","0.074","","","0.2175","0.2425","","","","","","0.963","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019591","21.732","0.0018","25.715","0.002","26.451","0.002","90","","90","","90","","14782","2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H72 As8 N17 O68 V16 -","- C67 H72 As8 N17 O68 V16 -","- C268 H288 As32 N68 O272 V64 -","4","0.5","","Chen, Baokuan; Wang, Bo; Lin, Zhengguo; Fan, Linyuan; Gao, Yuanzhe; Chi, Yingnan; Hu, Changwen","Controlled solvothermal synthesis of novel organic functionalized polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6910","6913","10.1039/c2dt30660c","","","0.71073","MoKα","","0.0942","0.0728","","","0.2015","0.2122","","","","","","1.065","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019592","27.341","0.003","26.566","0.003","20.434","0.002","90","","112.657","0.002","90","","13697","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H112 As8 N16 O57 V16 -","- C64 H112 As8 N16 O57 V16 -","- C256 H448 As32 N64 O228 V64 -","4","0.5","","Chen, Baokuan; Wang, Bo; Lin, Zhengguo; Fan, Linyuan; Gao, Yuanzhe; Chi, Yingnan; Hu, Changwen","Controlled solvothermal synthesis of novel organic functionalized polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6910","6913","10.1039/c2dt30660c","","","0.71073","MoKα","","0.0653","0.0501","","","0.1476","0.1572","","","","","","1.083","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019593","26.956","0.001","26.4805","0.001","20.1034","0.0008","90","","111.021","0.001","90","","13395","0.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C146 H250 As16 N22 O127 V32 -","- C146 H250 As16 N22 O127 V32 -","- C292 H500 As32 N44 O254 V64 -","2","0.5","","Chen, Baokuan; Wang, Bo; Lin, Zhengguo; Fan, Linyuan; Gao, Yuanzhe; Chi, Yingnan; Hu, Changwen","Controlled solvothermal synthesis of novel organic functionalized polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6910","6913","10.1039/c2dt30660c","","","0.71073","MoKα","","0.0438","0.0371","","","0.0976","0.1007","","","","","","1.036","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019594","44.416","0.0006","26.5633","0.0003","44.703","0.0005","90","","103.82","0.0012","90","","51215.4","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- H432 K12 Mo102 Na2 O555 S14 V -","- K9.5 Mo102 O465.4 S12 -","- K38 Mo408 O1861.6 S48 -","4","0.5","","Botar, Bogdan; Ellern, Arkady; Kögerler, Paul","Mapping the formation areas of giant molybdenum blue clusters: a spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8951","8959","10.1039/c2dt30661a","","","0.71073","MoKα","","0.1056","0.0851","","","0.2073","0.2251","","","","","","1.122","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019595","8.4931","0.0017","22.495","0.005","24.783","0.005","90","","90","","90","","4734.8","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn2(Napth-sao)2(Napth-saoH)2(MeOH)2].4MeOH","","","- C50 H54 Mn2 N4 O14 -","- C50 H54 Mn2 N4 O14 -","- C200 H216 Mn8 N16 O56 -","4","0.5","","Houton, Edel; Taylor, Stephanie M.; Beedle, Christopher C.; Cano, Joan; Piligkos, Stergios; Hill, Stephen; Ryder, Alan G.; Brechin, Euan K.; Jones, Leigh F.","Ferromagnetic exchange in a twisted, oxime-bridged [Mn(III)(2)] dimer.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8340","8347","10.1039/c2dt30674c","","","0.7107","MoKα","","0.0487","0.0384","","","0.0933","0.0984","","","","","","1.133","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019596","14.176","0.004","8.709","0.002","27.584","0.007","90","","93.076","0.005","90","","3400.6","1.5","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 N4 O2 Pd -","- C35 H50 N4 O2 Pd -","- C140 H200 N16 O8 Pd4 -","4","1","","Ariyananda, Piyal W. G.; Yap, Glenn P. A.; Rosenthal, Joel","Reaction of carbon dioxide with a palladium-alkyl complex supported by a bis-NHC framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7977","7983","10.1039/c2dt30676j","","","0.71073","MoKα","","0.0912","0.0564","","","0.1298","0.1479","","","","","","1.069","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019597","14.015","0.007","16.141","0.009","17.23","0.009","101.769","0.018","110.124","0.017","102.2","0.02","3411","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H35.5 N6.5 O3 Pd -","- C26 H28 N4 O3 Pd -","- C104 H112 N16 O12 Pd4 -","4","2","","Ariyananda, Piyal W. G.; Yap, Glenn P. A.; Rosenthal, Joel","Reaction of carbon dioxide with a palladium-alkyl complex supported by a bis-NHC framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7977","7983","10.1039/c2dt30676j","","","0.71073","MoKα","","0.1184","0.0693","","","0.1503","0.1646","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019598","13.403","0.007","19.118","0.01","14.849","0.008","90","","114.089","0.007","90","","3474","3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 N6 O4 Pd -","- C33 H40 N6 O4 Pd -","- C132 H160 N24 O16 Pd4 -","4","1","","Ariyananda, Piyal W. G.; Yap, Glenn P. A.; Rosenthal, Joel","Reaction of carbon dioxide with a palladium-alkyl complex supported by a bis-NHC framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7977","7983","10.1039/c2dt30676j","","","0.71073","MoKα","","0.0712","0.0466","","","0.1133","0.1303","","","","","","1.038","","","","has coordinates,has disorder","179899","2020-10-21","18:00:00",""
"7019599","8.2973","0.0003","9.0007","0.0004","12.7365","0.0005","98.535","0.003","98.527","0.002","97.221","0.002","919.58","0.06","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H38 Cl N11 O7 S3 -","- C30 H38 Cl N11 O7 S3 -","- C30 H38 Cl N11 O7 S3 -","1","1","","Dey, Sandeep Kumar; Das, Gopal","Selective inclusion of PO(4)(3-) within persistent dimeric capsules of a tris(thiourea) receptor and evidence of cation/solvent sealed unimolecular capsules.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8960","8972","10.1039/c2dt30687e","","","0.71073","MoKα","","0.0555","0.0481","","","0.1146","0.1201","","","","","","0.972","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019600","14.2058","0.0008","15.0756","0.0009","19.4881","0.0011","100.526","0.004","109.789","0.004","100.26","0.004","3728.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 N20 O19 P S6 -","- C54 H62 N20 O19 P S6 -","- C108 H124 N40 O38 P2 S12 -","2","1","","Dey, Sandeep Kumar; Das, Gopal","Selective inclusion of PO(4)(3-) within persistent dimeric capsules of a tris(thiourea) receptor and evidence of cation/solvent sealed unimolecular capsules.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8960","8972","10.1039/c2dt30687e","","","0.71073","MoKα","","0.3243","0.0956","","","0.2104","0.2413","","","","","","0.972","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019601","19.957","0.003","19.957","0.003","14.7921","0.0018","90","","90","","120","","5102.1","1.2","298","2","298","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C78 H120 N23 O16 P S6 -","- C78 H120 N23 O16 P S6 -","- C156 H240 N46 O32 P2 S12 -","2","0.333333","","Dey, Sandeep Kumar; Das, Gopal","Selective inclusion of PO(4)(3-) within persistent dimeric capsules of a tris(thiourea) receptor and evidence of cation/solvent sealed unimolecular capsules.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8960","8972","10.1039/c2dt30687e","","","0.71073","MoKα","","0.0958","0.0796","","","0.2144","0.2391","","","","","","1.011","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019602","19.2809","0.0007","19.063","0.0007","24.6347","0.0009","90","","108.323","0.003","90","","8595.5","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H100 N22 O15 S6 -","- C71 H100 N22 O15 S6 -","- C284 H400 N88 O60 S24 -","4","0.5","","Dey, Sandeep Kumar; Das, Gopal","Selective inclusion of PO(4)(3-) within persistent dimeric capsules of a tris(thiourea) receptor and evidence of cation/solvent sealed unimolecular capsules.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8960","8972","10.1039/c2dt30687e","","","0.71073","MoKα","","0.1461","0.0962","","","0.2088","0.2487","","","","","","1.03","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019603","20.0884","0.0019","14.6094","0.0013","24.4952","0.0019","90","","101.722","0.005","90","","7038.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H102 N12 O10 S4 -","- C59 H102 N12 O10 S4 -","- C236 H408 N48 O40 S16 -","4","1","","Dey, Sandeep Kumar; Das, Gopal","Selective inclusion of PO(4)(3-) within persistent dimeric capsules of a tris(thiourea) receptor and evidence of cation/solvent sealed unimolecular capsules.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8960","8972","10.1039/c2dt30687e","","","0.71073","MoKα","","0.0934","0.0535","","","0.144","0.1741","","","","","","1.026","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019604","35.832","0.003","13.5139","0.0014","27.699","0.003","90","","117.856","0.007","90","","11858","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H78 F N11 O8 S5 -","- C47 H78 F N11 O8 S5 -","- C376 H624 F8 N88 O64 S40 -","8","1","","Dey, Sandeep Kumar; Das, Gopal","Selective inclusion of PO(4)(3-) within persistent dimeric capsules of a tris(thiourea) receptor and evidence of cation/solvent sealed unimolecular capsules.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8960","8972","10.1039/c2dt30687e","","","0.71073","MoKα","","0.1284","0.0979","","","0.1913","0.2458","","","","","","0.943","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019605","14.2312","0.0013","11.7771","0.0011","19.2326","0.0018","90","","104.77","0.004","90","","3116.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl Ir N4 O -","- C30 H30 Cl Ir N4 O -","- C120 H120 Cl4 Ir4 N16 O4 -","4","1","","Mastropietro, Teresa F.; Yadav, Yogesh J.; Szerb, Elisabeta I.; Talarico, Anna Maria; Ghedini, Mauro; Crispini, Alessandra","Luminescence mechanochromism in cyclometallated Ir(iii) complexes containing picolylamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8899","8907","10.1039/c2dt30699a","","","0.71073","MoKα","","0.0654","0.0372","","","0.1377","0.1746","","","","","","1.258","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019606","9.8167","0.0017","13.747","0.003","20.447","0.004","90","","90","","90","","2759.3","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Cl Ir N4 -","- C28 H24 Cl Ir N4 -","- C112 H96 Cl4 Ir4 N16 -","4","1","","Mastropietro, Teresa F.; Yadav, Yogesh J.; Szerb, Elisabeta I.; Talarico, Anna Maria; Ghedini, Mauro; Crispini, Alessandra","Luminescence mechanochromism in cyclometallated Ir(iii) complexes containing picolylamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8899","8907","10.1039/c2dt30699a","","","0.71073","MoKα","","0.0487","0.0429","","","0.1017","0.1055","","","","","","0.859","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019607","11.0809","0.0013","15.5306","0.0018","16.1226","0.0019","90","","90","","90","","2774.6","0.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H24 F6 Ir N4 P -","- C28 H24 F6 Ir N4 P -","- C112 H96 F24 Ir4 N16 P4 -","4","1","","Mastropietro, Teresa F.; Yadav, Yogesh J.; Szerb, Elisabeta I.; Talarico, Anna Maria; Ghedini, Mauro; Crispini, Alessandra","Luminescence mechanochromism in cyclometallated Ir(iii) complexes containing picolylamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8899","8907","10.1039/c2dt30699a","","","0.71073","MoKα","","0.0289","0.0261","","","0.0751","0.0855","","","","","","1.17","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019608","11.0556","0.001","15.2516","0.0015","15.3882","0.0014","90","","90","","90","","2594.7","0.4","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H24 Cl Ir N4 O4 -","- C28 H24 Cl Ir N4 O4 -","- C112 H96 Cl4 Ir4 N16 O16 -","4","1","","Mastropietro, Teresa F.; Yadav, Yogesh J.; Szerb, Elisabeta I.; Talarico, Anna Maria; Ghedini, Mauro; Crispini, Alessandra","Luminescence mechanochromism in cyclometallated Ir(iii) complexes containing picolylamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8899","8907","10.1039/c2dt30699a","","","0.71073","MoKα","","0.0214","0.0184","","","0.0474","0.0533","","","","","","1.215","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019609","14.95","0.002","9.9214","0.0013","15.579","0.002","90","","98.413","0.007","90","","2285.9","0.5","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Fe O -","- C31 H26 Fe O -","- C124 H104 Fe4 O4 -","4","1","","Tan, Yong Leng Kelvin; Pigeon, Pascal; Top, Siden; Labbé, Eric; Buriez, Olivier; Hillard, Elizabeth A.; Vessières, Anne; Amatore, Christian; Leong, Weng Kee; Jaouen, Gérard","Ferrocenyl catechols: synthesis, oxidation chemistry and anti-proliferative effects on MDA-MB-231 breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7537","7549","10.1039/c2dt30700f","","","0.71073","MoKα","","0.0773","0.0441","","","0.1159","0.1543","","","","","","1.22","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019610","9.7144","0.0004","12.9617","0.0005","17.6055","0.0007","90","","95.124","0.001","90","","2207.94","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Fe O -","- C30 H24 Fe O -","- C120 H96 Fe4 O4 -","4","1","","Tan, Yong Leng Kelvin; Pigeon, Pascal; Top, Siden; Labbé, Eric; Buriez, Olivier; Hillard, Elizabeth A.; Vessières, Anne; Amatore, Christian; Leong, Weng Kee; Jaouen, Gérard","Ferrocenyl catechols: synthesis, oxidation chemistry and anti-proliferative effects on MDA-MB-231 breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7537","7549","10.1039/c2dt30700f","","","0.71073","MoKα","","0.0574","0.0465","","","0.1517","0.1676","","","","","","1.188","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019611","9.4498","0.0002","11.5084","0.0002","12.0193","0.0002","71.024","0.001","81.435","0.001","66.158","0.001","1130.37","0.04","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 Fe O2 -","- C31 H26 Fe O2 -","- C62 H52 Fe2 O4 -","2","1","","Tan, Yong Leng Kelvin; Pigeon, Pascal; Top, Siden; Labbé, Eric; Buriez, Olivier; Hillard, Elizabeth A.; Vessières, Anne; Amatore, Christian; Leong, Weng Kee; Jaouen, Gérard","Ferrocenyl catechols: synthesis, oxidation chemistry and anti-proliferative effects on MDA-MB-231 breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7537","7549","10.1039/c2dt30700f","","","0.71073","MoKα","","0.041","0.0322","","","0.0924","0.118","","","","","","1.195","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019612","12.1301","0.0004","17.0739","0.0005","12.8231","0.0003","90","","112.277","0.001","90","","2457.55","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Fe O4 -","- C30 H28 Fe O4 -","- C120 H112 Fe4 O16 -","4","1","","Tan, Yong Leng Kelvin; Pigeon, Pascal; Top, Siden; Labbé, Eric; Buriez, Olivier; Hillard, Elizabeth A.; Vessières, Anne; Amatore, Christian; Leong, Weng Kee; Jaouen, Gérard","Ferrocenyl catechols: synthesis, oxidation chemistry and anti-proliferative effects on MDA-MB-231 breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7537","7549","10.1039/c2dt30700f","","","0.71073","MoKα","","0.0422","0.0331","","","0.1036","0.1252","","","","","","1.168","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019613","8.8739","0.0002","17.6026","0.0005","26.5306","0.0005","90","","92.25","0.002","90","","4140.98","0.17","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(NONO)2Zn4(OEt)2CdI4]","","","- C28 H46 Cd I4 N4 O4 Zn4 -","- C28 H46 Cd I4 N4 O4 Zn4 -","- C112 H184 Cd4 I16 N16 O16 Zn16 -","4","1","","Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.","A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8361","8367","10.1039/c2dt30715d","","","1.54184","CuKα","","0.0709","0.0469","","","0.1014","0.112","","","","","","0.956","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019614","21.7613","0.001","12.3586","0.0008","18.5174","0.0009","90","","90","","90","","4980.1","0.5","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[(NONO)2Zn6I]","","","- C38 H69 I N4 O7 Zn6 -","- C38 H69 I N4 O7 Zn6 -","- C152 H276 I4 N16 O28 Zn24 -","4","1","","Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.","A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8361","8367","10.1039/c2dt30715d","","","0.71073","MoKα","","0.0818","0.0659","","","0.1532","0.1637","","","","","","1.095","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019615","12.9401","0.0011","14.8409","0.0013","25.1129","0.0018","78.762","0.007","85.067","0.007","87.677","0.007","4711.4","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[(NO)2zN8(FcCO2)4]","","","- C76 H92 Fe4 N4 O16 Zn8 -","- C76 H92 Fe4 N4 O16 Zn8 -","- C152 H184 Fe8 N8 O32 Zn16 -","2","1","","Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.","A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8361","8367","10.1039/c2dt30715d","","","1.54184","CuKα","","0.0941","0.0627","","","0.1631","0.1872","","","","","","0.98","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019616","21.0729","0.0012","21.0729","0.0012","24.0603","0.0018","90","","90","","120","","9253","1","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","[(NONO)3Zn10]","","","- C48 H84 N6 O10 Zn10 -","- C48 H84 N6 O10 Zn10 -","- C288 H504 N36 O60 Zn60 -","6","0.333333","","Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.","A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8361","8367","10.1039/c2dt30715d","","","1.54184","CuKα","","0.0517","0.0313","","","0.0623","0.0683","","","","","","0.985","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019617","8.9816","0.0007","16.8076","0.0012","18.0174","0.0018","111.575","0.003","90.026","0.006","97.337","0.004","2505.3","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","bis(N-butylimidazole)silver bistriflimide","bis(N-butylimidazole)silver bis(trifluoromethyl)sulfonylimide","","- C16 H24 Ag F6 N5 O4 S2 -","- C16 H24 Ag F6 N5 O4 S2 -","- C64 H96 Ag4 F24 N20 O16 S8 -","4","2","","Brooks, Neil R.; Schaltin, Stijn; Van Hecke, Kristof; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Heteroleptic silver-containing ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6902","6905","10.1039/c2dt30725a","","","1.54184","CuKα","","0.0585","0.0443","","","0.1003","0.1077","","","","","","1.035","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019618","15.2285","0.0009","8.9449","0.0007","18.0327","0.0011","90","","114.034","0.003","90","","2243.4","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(N-butylimidazole)(N-ethylimidazole)silver bistriflimide","(N-butylimidazole)(N-ethylimidazole)silver bis(trifluoromethyl)sulfonylimide","","- C14 H20 Ag F6 N5 O4 S2 -","- C14 H20 Ag F6 N5 O4 S2 -","- C56 H80 Ag4 F24 N20 O16 S8 -","4","1","","Brooks, Neil R.; Schaltin, Stijn; Van Hecke, Kristof; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Heteroleptic silver-containing ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6902","6905","10.1039/c2dt30725a","","","1.54184","CuKα","","0.0894","0.0678","","","0.1753","0.198","","","","","","1.05","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019619","11.9627","0.0005","9.0478","0.0003","17.1295","0.0008","90","","90.76","0.002","90","","1853.87","0.13","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(N-methylimidazole)silver bistriflimide","bis(N-methylimidazole)silver bis(trifluoromethyl)sulfonylimide","","- C10 H12 Ag F6 N5 O4 S2 -","- C10 H12 Ag F6 N5 O4 S2 -","- C40 H48 Ag4 F24 N20 O16 S8 -","4","1","","Brooks, Neil R.; Schaltin, Stijn; Van Hecke, Kristof; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Heteroleptic silver-containing ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6902","6905","10.1039/c2dt30725a","","","1.54184","CuKα","","0.0568","0.0504","","","0.1248","0.1292","","","","","","1.028","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019620","14.7961","0.0011","9.0675","0.0006","17.9641","0.0015","90","","109.152","0.009","90","","2276.7","0.3","298","2","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(N-butylimidazole)(N-methylimidazole)silver bistriflimide","(N-butylimidazole)(N-methylimidazole)silver bis(trifluoromethyl)sulfonylimide","","- C13 H18 Ag F6 N5 O4 S2 -","- C13 H18 Ag F6 N5 O4 S2 -","- C52 H72 Ag4 F24 N20 O16 S8 -","4","1","","Brooks, Neil R.; Schaltin, Stijn; Van Hecke, Kristof; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Heteroleptic silver-containing ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6902","6905","10.1039/c2dt30725a","","","0.7107","MoKα","","0.059","0.0443","","","0.12","0.1334","","","","","","1.015","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019621","13.5343","0.0002","14.9731","0.0002","24.5351","0.0004","85.968","0.001","83.148","0.001","87.986","0.001","4922.52","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C170 H259 Au4 Cl7 O62 P4 -","- C170 H259 Au4 Cl7 O62 P4 -","- C170 H259 Au4 Cl7 O62 P4 -","1","1","","Gramage-Doria, Rafael; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Non-conventional coordination of cavity-confined metal centres.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8786","8796","10.1039/c2dt30751k","","","0.71073","MoKα","","0.098","0.0536","","","0.1113","0.1239","","","","","","0.895","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019622","8.464","0.0002","12.6916","0.0004","17.2532","0.0005","74.079","0.003","85.089","0.002","70.787","0.003","1682.98","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H41 Cl6 Ir N3 O4 -","- C26 H41 Cl6 Ir N3 O4 -","- C52 H82 Cl12 Ir2 N6 O8 -","2","1","","Monney, Angèle; Alberico, Elisabetta; Ortin, Yannick; Müller-Bunz, Helge; Gladiali, Serafino; Albrecht, Martin","Stereospecific synthesis and catalytic activity of l-histidylidene metal complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8813","8821","10.1039/c2dt30799e","","","0.71073","MoKα","","0.036","0.0278","","","0.0493","0.0529","","","","","","1.071","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019623","7.9351","0.0003","9.8757","0.0004","13.0361","0.0006","75.572","0.001","88.322","0.001","70.24","0.001","929.4","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 N2 O4 Ru -","- C16 H30 N2 O4 Ru -","- C32 H60 N4 O8 Ru2 -","2","1","","Halbach, Robert L.; Nocton, Grégory; Andersen, Richard A.","Synthesis and X-ray structure of ruthenium bis(acetylacetonate)(N,N,N',N'-tetramethylethylenediamine).","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8809","8812","10.1039/c2dt30810j","","","0.71073","MoKα","","0.0293","0.0245","","","0.0542","0.0569","","","","","","1.038","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019624","8.6987","0.0001","34.1408","0.0004","8.6081","0.0001","90","","107.578","0.001","90","","2437.07","0.05","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Zhang, Yan; Zhu, Daoben","[(C(2)H(5))(3)NH](2)Cu(2)(C(2)O(4))(3): a three-dimensional metal-oxalato framework showing structurally related dielectric and magnetic transitions at around 165 K.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8509","8511","10.1039/c2dt30818e","","","0.71073","MoKα","","0.0371","0.0308","","","0.0802","0.0823","","","","","","1.101","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019625","8.7156","0.0001","34.0813","0.0004","8.636","0.0001","90","","107.632","0.001","90","","2444.72","0.05","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Zhang, Yan; Zhu, Daoben","[(C(2)H(5))(3)NH](2)Cu(2)(C(2)O(4))(3): a three-dimensional metal-oxalato framework showing structurally related dielectric and magnetic transitions at around 165 K.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8509","8511","10.1039/c2dt30818e","","","0.71073","MoKα","","0.0403","0.0308","","","0.0789","0.0821","","","","","","1.079","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019626","8.7407","0.0001","33.9886","0.0004","8.6771","0.0001","90","","107.725","0.001","90","","2455.46","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H31 Cu2 N2 O12 -","- C72 H124 Cu8 N8 O48 -","4","1","","Zhang, Bin; Zhang, Yan; Zhu, Daoben","[(C(2)H(5))(3)NH](2)Cu(2)(C(2)O(4))(3): a three-dimensional metal-oxalato framework showing structurally related dielectric and magnetic transitions at around 165 K.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8509","8511","10.1039/c2dt30818e","","","0.71073","MoKα","","0.0436","0.0321","","","0.0842","0.0885","","","","","","0.98","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019627","8.8294","0.0001","33.7719","0.0004","8.8052","0.0001","90","","107.901","0.001","90","","2498.48","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cu2 N2 O12 -","- C18 H32 Cu2 N2 O12 -","- C72 H128 Cu8 N8 O48 -","4","1","","Zhang, Bin; Zhang, Yan; Zhu, Daoben","[(C(2)H(5))(3)NH](2)Cu(2)(C(2)O(4))(3): a three-dimensional metal-oxalato framework showing structurally related dielectric and magnetic transitions at around 165 K.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8509","8511","10.1039/c2dt30818e","","","0.71073","MoKα","","0.0593","0.0325","","","0.0893","0.0965","","","","","","1.071","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019628","13.0545","0.0001","17.3817","0.0002","23.3892","0.0003","90","","90","","90","","5307.23","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 N3 O3 Os -","- C60 H75 N3 O3 Os -","- C240 H300 N12 O12 Os4 -","4","1","","Das, Atanu Kumar; Hübner, Ralph; Sarkar, Biprajit; Fiedler, Jan; Záliš, Stanislav; Lahiri, Goutam Kumar; Kaim, Wolfgang","UV-vis-NIR and EPR characterisation of the redox series [MQ(3)](2+,+,0,-,2-), M = Ru or Os, and Q = o-quinone derivative.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8913","8921","10.1039/c2dt30846k","","","0.71073","MoKα","","0.0325","0.0271","","","0.0522","0.0538","","","","","","1.019","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019629","24.496","0.005","15.496","0.003","19.454","0.004","90","","112.31","0.03","90","","6832","3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H62 Ag2 Cl6 N4 O17 P4 -","- C59 H62 Ag2 Cl6 N4 O17 P4 -","- C236 H248 Ag8 Cl24 N16 O68 P16 -","4","1","","Sun, Sha; Ren, Zhi-Gang; Yang, Ju-Hua; He, Run-Tian; Wang, Fan; Wu, Xin-Yi; Gong, Wei-Jie; Li, Hong-Xi; Lang, Jian-Ping","Formation of N-heterocyclic diphosphine ligands from Ag(i)-assisted condensation reactions between bdppeda and formaldehyde and their binuclear silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8447","8454","10.1039/c2dt30860f","","","0.71073","MoKα","","0.159","0.115","","","0.1837","0.2029","","","","","","1.232","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019630","13.601","0.003","14.615","0.003","17.145","0.003","90","","90.03","0.03","90","","3408.1","1.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Ag2 Cl8 N4 O10 P4 -","- C60 H66 Ag2 Cl8 N4 O10 P4 -","- C120 H132 Ag4 Cl16 N8 O20 P8 -","2","0.5","","Sun, Sha; Ren, Zhi-Gang; Yang, Ju-Hua; He, Run-Tian; Wang, Fan; Wu, Xin-Yi; Gong, Wei-Jie; Li, Hong-Xi; Lang, Jian-Ping","Formation of N-heterocyclic diphosphine ligands from Ag(i)-assisted condensation reactions between bdppeda and formaldehyde and their binuclear silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8447","8454","10.1039/c2dt30860f","","","0.71073","MoKα","","0.0857","0.0745","","","0.1512","0.1569","","","","","","1.218","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019631","9.814","0.002","11.78","0.002","13.337","0.003","109.74","0.03","98.42","0.03","91.44","0.03","1431","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H68 Ag2 Cl2 N4 O2 P4 -","- C60 H68 Ag2 Cl2 N4 O2 P4 -","- C60 H68 Ag2 Cl2 N4 O2 P4 -","1","0.5","","Sun, Sha; Ren, Zhi-Gang; Yang, Ju-Hua; He, Run-Tian; Wang, Fan; Wu, Xin-Yi; Gong, Wei-Jie; Li, Hong-Xi; Lang, Jian-Ping","Formation of N-heterocyclic diphosphine ligands from Ag(i)-assisted condensation reactions between bdppeda and formaldehyde and their binuclear silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8447","8454","10.1039/c2dt30860f","","","0.71073","MoKα","","0.0456","0.0346","","","0.0755","0.0796","","","","","","1.068","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019632","35.2189","0.0008","11.0863","0.0002","31.1869","0.0007","90","","115.412","0.001","90","","10998.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 Ag Al Cl4 F36 O4 -","- C48 H22 Ag Al Cl4 F36 O4 -","- C384 H176 Ag8 Al8 Cl32 F288 O32 -","8","2","","Fuchter, Matthew J.; Schaefer, Julia; Judge, Dilraj K.; Wardzinski, Benjamin; Weimar, Marko; Krossing, Ingo","[7]-Helicene: a chiral molecular tweezer for silver(i) salts.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8238","8241","10.1039/c2dt30900a","","","0.71073","MoKα","","0.1252","0.0688","","","0.1606","0.1877","","","","","","1.03","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019633","11.4153","0.0006","21.14","0.001","11.077","0.0006","90","","100.105","0.005","90","","2631.6","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-ethane-1,2-disulfido)-tetrakis(triisopropylphosphine)-tetra-copper","","- C40 H92 Cu4 P4 S4 -","- C40 H92 Cu4 P4 S4 -","- C80 H184 Cu8 P8 S8 -","2","0.5","","Kluge, Oliver; Friedrich, Dirk; Wagner, Gerald; Krautscheid, Harald","New organometallic single-source precursors for CuGaS(2)- polytypism in gallite nanocrystals obtained by thermolysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8635","8642","10.1039/c2dt30904a","","","0.71073","MoKα","","0.0268","0.0197","","","0.0427","0.0439","","","","","","1.021","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019634","6.6025","0.001","6.7608","0.001","7.1157","0.001","73.926","0.011","80.799","0.012","83.692","0.012","300.57","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","methyl-gallium-ethanedithiolate","bis(ethane-1,μ~2~2-disulfido)-dimethyl-di-gallium","","- C6 H14 Ga2 S4 -","- C6 H14 Ga2 S4 -","- C6 H14 Ga2 S4 -","1","0.5","","Kluge, Oliver; Friedrich, Dirk; Wagner, Gerald; Krautscheid, Harald","New organometallic single-source precursors for CuGaS(2)- polytypism in gallite nanocrystals obtained by thermolysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8635","8642","10.1039/c2dt30904a","","","0.71073","MoKα","","0.0177","0.0161","","","0.0393","0.0397","","","","","","1.024","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019635","17.4373","0.0011","15.7295","0.0007","15.3649","0.001","90","","116.444","0.005","90","","3773.3","0.4","105","2","105","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(μ~2~-ethane-1,2-disulfido)-bis(triisopropylphosphine)-tetramethyl-di-copper-di-gallium","","- C26 H62 Cu2 Ga2 P2 S4 -","- C26 H62 Cu2 Ga2 P2 S4 -","- C104 H248 Cu8 Ga8 P8 S16 -","4","0.5","","Kluge, Oliver; Friedrich, Dirk; Wagner, Gerald; Krautscheid, Harald","New organometallic single-source precursors for CuGaS(2)- polytypism in gallite nanocrystals obtained by thermolysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8635","8642","10.1039/c2dt30904a","","","0.71073","MoKα","","0.0225","0.0188","","","0.0455","0.0464","","","","","","1.037","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019636","10.5998","0.001","11.507","0.0011","13.6932","0.0015","67.29","0.007","72.432","0.008","65.161","0.007","1378.6","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","bis(μ~2~-ethane-1,2-disulfido)-bis(triisopropylphosphine)-bis(phenylsulfido)-dimethyl-di-copper-di-gallium tetrahydrofuran solvate","","- C44 H82 Cu2 Ga2 O2 P2 S6 -","- C44 H82 Cu2 Ga2 O2 P2 S6 -","- C44 H82 Cu2 Ga2 O2 P2 S6 -","1","0.5","","Kluge, Oliver; Friedrich, Dirk; Wagner, Gerald; Krautscheid, Harald","New organometallic single-source precursors for CuGaS(2)- polytypism in gallite nanocrystals obtained by thermolysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8635","8642","10.1039/c2dt30904a","","","0.71073","MoKα","","0.0764","0.0535","","","0.1306","0.1409","","","","","","0.972","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019637","15.458","0.0015","10.24","0.001","9.371","0.0011","90","","94.291","0.009","90","","1479.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F8 Sn -","- C14 H8 F8 Sn -","- C56 H32 F32 Sn4 -","4","1","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Bis(tetrafluorophenyl)borane.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8609","8614","10.1039/c2dt30924f","","","0.71073","MoKα","","0.0297","0.0199","","","0.0457","0.0507","","","","","","1.046","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019638","14.0378","0.0003","6.2568","0.0001","26.9402","0.0006","90","","90","","90","","2366.2","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H2 B Cl F8 -","- C12 H2 B Cl F8 -","- C96 H16 B8 Cl8 F64 -","8","1","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Bis(tetrafluorophenyl)borane.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8609","8614","10.1039/c2dt30924f","","","0.71073","MoKα","","0.041","0.0301","","","0.0792","0.0853","","","","","","1.036","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019639","9.5845","0.0002","10.1094","0.0002","14.27","0.0004","90","","89.9819","0.0012","90","","1382.67","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F8 N2 Sn -","- C12 H6 F8 N2 Sn -","- C48 H24 F32 N8 Sn4 -","4","1","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Bis(tetrafluorophenyl)borane.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8609","8614","10.1039/c2dt30924f","","","0.71073","MoKα","","0.0297","0.0242","","","0.063","0.0656","","","","","","1.068","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019640","12.7879","0.0001","11.8729","0.0002","20.1503","0.0003","90","","91.2741","0.0008","90","","3058.65","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F10 Sn -","- C14 H6 F10 Sn -","- C112 H48 F80 Sn8 -","8","2","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Bis(tetrafluorophenyl)borane.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8609","8614","10.1039/c2dt30924f","","","0.71073","MoKα","","0.0323","0.0249","","","0.059","0.0621","","","","","","1.023","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019641","4.6767","0.0001","11.2392","0.0004","6.3308","0.0002","90","","90.019","0.002","90","","332.762","0.017","200","0.2","200","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H I O4 Zn -","- H I O4 Zn -","- H4 I4 O16 Zn4 -","4","1","","Lee, Dong Woo; Kim, Saet Byeol; Ok, Kang Min","ZnIO(3)(OH): a new layered noncentrosymmetric polar iodate - hydrothermal synthesis, crystal structure, and second-harmonic generating (SHG) properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8348","8353","10.1039/c2dt30947e","","","0.71073","MoKα","","0.0355","0.0349","","","0.0938","0.0946","","","","","","1.088","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019642","14.641","0.0002","14.8849","0.0002","18.5878","0.0003","75.493","0.001","70.637","0.001","77.915","0.001","3664.31","0.1","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C80 H88 Cl2 N2 P2 Pt Si Sn -","- C80 H88 Cl2 N2 P2 Pt Si Sn -","- C160 H176 Cl4 N4 P4 Pt2 Si2 Sn2 -","2","1","","Day, Benjamin M.; Dyer, Philip W.; Coles, Martyn P.","Hydroformylation by Pt-Sn compounds from N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7457","7460","10.1039/c2dt30988b","","x-ray","0.7107","MoKα","","0.0341","0.0265","","","0.0538","0.0562","","","","","","1.013","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019643","15.6213","0.0004","18.4765","0.0005","22.045","0.0006","68.806","0.001","74.334","0.002","76.225","0.001","5641.7","0.3","120","2","120","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C111 H153 Cl4 N6 Pt Si3 Sn4 -","- C111 H153 Cl4 N6 Pt Si3 Sn4 -","- C222 H306 Cl8 N12 Pt2 Si6 Sn8 -","2","1","","Day, Benjamin M.; Dyer, Philip W.; Coles, Martyn P.","Hydroformylation by Pt-Sn compounds from N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7457","7460","10.1039/c2dt30988b","","","0.71073","MoKα","","0.074","0.0571","","","0.1357","0.1453","","","","","","1.061","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019644","15.9637","0.0003","26.6595","0.0004","9.9118","0.0007","90","","98.427","0.0013","90","","4172.8","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 Cl3 F6 N7 P Ru2 -","- C34 H53 Cl3 F6 N7 P Ru2 -","- C136 H212 Cl12 F24 N28 P4 Ru8 -","4","1","","Ohara, Hisashi; O, Wylie W N; Lough, Alan J.; Morris, Robert H.","Effect of chelating ring size in catalytic ketone hydrogenation: facile synthesis of ruthenium(ii) precatalysts containing an N-heterocyclic carbene with a primary amine donor for ketone hydrogenation and a DFT study of mechanisms.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8797","8808","10.1039/c2dt30994g","","","0.71073","MoKα","","0.0828","0.053","","","0.1226","0.1484","","","","","","1.013","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019645","7.04192","0.00013","26.8465","0.0003","10.66563","0.00015","90","","103.675","0.0016","90","","1959.18","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Rubidium uranyl tungstate","","","- O39 Rb6 U7 W5 -","- O39 Rb6 U7 W5 -","- O78 Rb12 U14 W10 -","2","1","","Seliverstov, Andrey N.; Suleimanov, Evgeny V.; Chuprunov, Evgeny V.; Somov, Nikolay V.; Zhuchkova, Elena M.; Lelet, Maxim I.; Rozov, Konstantin B.; Depmeier, Wulf; Krivovichev, Sergey V.; Alekseev, Evgeny V.","Polytypism and oxo-tungstate polyhedra polymerization in novel complex uranyl tungstates.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8512","8514","10.1039/c2dt31000g","","","0.71073","MoKα","","0.0594","0.0481","","","0.0992","0.1018","","","","","","1.075","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019646","9.6228","0.0003","14.3597","0.0005","10.2275","0.0004","90","","90.686","0.003","90","","1413.14","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha-cesium uranly tungstate","","","- Cs2 O13 U2 W2 -","- Cs2 O13 U2 W2 -","- Cs8 O52 U8 W8 -","4","1","","Seliverstov, Andrey N.; Suleimanov, Evgeny V.; Chuprunov, Evgeny V.; Somov, Nikolay V.; Zhuchkova, Elena M.; Lelet, Maxim I.; Rozov, Konstantin B.; Depmeier, Wulf; Krivovichev, Sergey V.; Alekseev, Evgeny V.","Polytypism and oxo-tungstate polyhedra polymerization in novel complex uranyl tungstates.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8512","8514","10.1039/c2dt31000g","","","0.71073","MoKα","","0.0788","0.0745","","","0.1925","0.1966","","","","","","1.096","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019647","7.6582","0.0007","9.6148","0.0007","10.2371","0.0005","90.61","0.005","94.765","0.006","109.3","0.008","708.38","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","beta-cesium uranyl tungstate","","","- Cs2 O13 U2 W2 -","- Cs2 O13 U2 W2 -","- Cs4 O26 U4 W4 -","2","1","","Seliverstov, Andrey N.; Suleimanov, Evgeny V.; Chuprunov, Evgeny V.; Somov, Nikolay V.; Zhuchkova, Elena M.; Lelet, Maxim I.; Rozov, Konstantin B.; Depmeier, Wulf; Krivovichev, Sergey V.; Alekseev, Evgeny V.","Polytypism and oxo-tungstate polyhedra polymerization in novel complex uranyl tungstates.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8512","8514","10.1039/c2dt31000g","","","0.71073","MoKα","","0.045","0.0323","","","0.0645","0.0662","","","","","","0.978","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019648","20.6031","0.0004","11.4977","0.0003","14.2483","0.0003","90","","90","","90","","3375.26","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H57 Fe N3 Si2 -","- C30 H57 Fe N3 Si2 -","- C120 H228 Fe4 N12 Si8 -","4","1","","Walter, Marc D.; White, Peter S.","[{Cp'Fe(μ-OH)}(3)]: the synthesis of a unique organometallic iron hydroxide.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8506","8508","10.1039/c2dt31103h","","","0.71073","MoKα","","0.0583","0.0376","","","0.0585","0.0624","","","","","","0.862","","","","has coordinates,has disorder","288643","2024-01-03","14:02:40",""
"7019649","10.3786","0.0002","23.9595","0.0005","21.2188","0.0005","90","","92.417","0.001","90","","5271.7","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H90 Fe3 O3 -","- C51 H87 Fe3 O3 -","- C204 H348 Fe12 O12 -","4","1","","Walter, Marc D.; White, Peter S.","[{Cp'Fe(μ-OH)}(3)]: the synthesis of a unique organometallic iron hydroxide.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8506","8508","10.1039/c2dt31103h","","","0.71073","MoKα","","0.0957","0.051","","","0.1026","0.1178","","","","","","1.021","","","","has coordinates,has disorder","288643","2024-01-03","14:02:40",""
"7019650","18.22","0.003","18.22","0.003","24.71","0.005","90","","90","","120","","7104","2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H18 Mo12 N3 O46 P -","- C18 H18 Mo12 N3 O46 P -","- C108 H108 Mo72 N18 O276 P6 -","6","0.333333","","Chen, Xiang-Yi; Chen, Yi-Ping; Xia, Ze-Min; Hu, Heng-Bin; Sun, Yan-Qiong; Huang, Wei-Yuan","Synthesis, crystal structure of α-Keggin heteropolymolybdates with pyridine-2,6-dicarboxylate based frameworks, and associated RhB photocatalytic degradation and 2D-IR COS tests.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10035","10042","10.1039/c2dt00001f","","","0.71073","MoKα","","0.0611","0.0608","","","0.1518","0.152","","","","","","1","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019651","16.473","0.003","17.068","0.003","17.384","0.003","77.35","0.03","62.91","0.03","62.4","0.03","3856.1","1.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Mo12 N4 O74 Si Sm4 -","- C28 H48 Mo12 N4 O74 Si Sm4 -","- C56 H96 Mo24 N8 O148 Si2 Sm8 -","2","1","","Chen, Xiang-Yi; Chen, Yi-Ping; Xia, Ze-Min; Hu, Heng-Bin; Sun, Yan-Qiong; Huang, Wei-Yuan","Synthesis, crystal structure of α-Keggin heteropolymolybdates with pyridine-2,6-dicarboxylate based frameworks, and associated RhB photocatalytic degradation and 2D-IR COS tests.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10035","10042","10.1039/c2dt00001f","","","0.71073","MoKα","","0.0708","0.061","","","0.1729","0.2039","","","","","","1.031","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019652","30.882","0.006","15.698","0.002","22.154","0.007","90","","133.288","0.002","90","","7818","3","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 F La4 Mo12 N4 O72 P -","- C28 H44 F La4 Mo12 N4 O72 P -","- C112 H176 F4 La16 Mo48 N16 O288 P4 -","4","0.5","","Chen, Xiang-Yi; Chen, Yi-Ping; Xia, Ze-Min; Hu, Heng-Bin; Sun, Yan-Qiong; Huang, Wei-Yuan","Synthesis, crystal structure of α-Keggin heteropolymolybdates with pyridine-2,6-dicarboxylate based frameworks, and associated RhB photocatalytic degradation and 2D-IR COS tests.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10035","10042","10.1039/c2dt00001f","","","0.71073","MoKα","","0.0869","0.0863","","","0.2642","0.2646","","","","","","1.04","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019653","21.398","0.014","32.298","0.014","20.891","0.021","90","","90","","90","","14438","18","187","2","187","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H16 Co6 N6 O46 P W9 -","- C18 H16 Co6 N6 O46 P W9 -","- C144 H128 Co48 N48 O368 P8 W72 -","8","1","","Wang, Xiuli; Liu, Xiaojing; Tian, Aixiang; Ying, Jun; Lin, Hongyan; Liu, Guocheng; Gao, Qiang","A novel 2D →3D {Co(6)PW(9)}-based framework extended by semi-rigid bis(triazole) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9587","9589","10.1039/c2dt00039c","","","0.71073","MoKα","","0.0603","0.0506","","","0.1084","0.1115","","","","","","1.147","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019654","13.8351","0.0005","18.7542","0.0007","27.8551","0.0011","90","","96.141","0.003","90","","7186","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H116 O20 Si4 Zr -","- C48 H108 O20 Si4 Zr -","- C192 H432 O80 Si16 Zr4 -","4","1","","Dhayal, Veena; Chaudhary, Archana; Choudhary, Banwari Lal; Nagar, Meena; Bohra, Rakesh; Mobin, Shaikh M.; Mathur, Pradeep","Molecular precursors for the preparation of homogenous zirconia-silica materials by hydrolytic sol-gel process in organic media. Crystal structures of [Zr{OSi(O(t)Bu)(3)}(4)(H(2)O)(2)]·2H(2)O and [Ti(O(t)Bu){OSi(O(t)Bu)(3)}(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9439","9450","10.1039/c2dt12127a","","","0.71073","MoKα","","0.1984","0.1191","","","0.316","0.3581","","","","","","1.108","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019655","22.4358","0.0004","21.8856","0.0006","22.5796","0.0005","90","","90","","90","","11087.1","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H90 O13 Si3 Ti -","- C40 H90 O13 Si3 Ti -","- C320 H720 O104 Si24 Ti8 -","8","1","","Dhayal, Veena; Chaudhary, Archana; Choudhary, Banwari Lal; Nagar, Meena; Bohra, Rakesh; Mobin, Shaikh M.; Mathur, Pradeep","Molecular precursors for the preparation of homogenous zirconia-silica materials by hydrolytic sol-gel process in organic media. Crystal structures of [Zr{OSi(O(t)Bu)(3)}(4)(H(2)O)(2)]·2H(2)O and [Ti(O(t)Bu){OSi(O(t)Bu)(3)}(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9439","9450","10.1039/c2dt12127a","","","0.71073","MoKα","","0.1195","0.0597","","","0.1192","0.1381","","","","","","0.978","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019656","7.5914","0.0015","10.2","0.002","16.693","0.003","76.83","0.03","81.44","0.03","71.3","0.03","1188.1","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 N3 Ni O P S -","- C26 H22 N3 Ni O P S -","- C52 H44 N6 Ni2 O2 P2 S2 -","2","1","","Prabhakaran, R.; Kalaivani, P.; Poornima, P.; Dallemer, F.; Paramaguru, G.; Vijaya Padma, V.; Renganathan, R.; Huang, R.; Natarajan, K.","One pot synthesis of structurally different mono and dimeric Ni(ii) thiosemicarbazone complexes and N-arylation on a coordinated ligand: a comparative biological study.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9323","9336","10.1039/c2dt12231f","","","0.71073","MoKα","","0.0327","0.0254","","","0.0831","0.0888","","","","","","0.705","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019657","9.6356","0.0001","10.6275","0.0002","14.1718","0.0003","89.5995","0.0008","74.6091","0.0008","63.618","0.001","1243.08","0.04","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C24 H26 N4 Ni O2 P S -","- C24 H26 N4 Ni O2 P S -","- C48 H52 N8 Ni2 O4 P2 S2 -","2","1","","Prabhakaran, R.; Kalaivani, P.; Poornima, P.; Dallemer, F.; Paramaguru, G.; Vijaya Padma, V.; Renganathan, R.; Huang, R.; Natarajan, K.","One pot synthesis of structurally different mono and dimeric Ni(ii) thiosemicarbazone complexes and N-arylation on a coordinated ligand: a comparative biological study.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9323","9336","10.1039/c2dt12231f","","x-ray","0.71073","MoKα","","0.0635","0.0396","","","0.1068","0.1208","","","","","","1.045","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019658","9.4975","0.0002","10.571","0.0002","13.8196","0.0004","90","","92.473","0.001","90","","1386.17","0.06","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C32 H26 N3 Ni O P S -","- C32 H26 N3 Ni O P S -","- C64 H52 N6 Ni2 O2 P2 S2 -","2","1","","Prabhakaran, R.; Kalaivani, P.; Poornima, P.; Dallemer, F.; Paramaguru, G.; Vijaya Padma, V.; Renganathan, R.; Huang, R.; Natarajan, K.","One pot synthesis of structurally different mono and dimeric Ni(ii) thiosemicarbazone complexes and N-arylation on a coordinated ligand: a comparative biological study.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9323","9336","10.1039/c2dt12231f","","x-ray","0.71073","MoKα","","0.0572","0.0398","","","0.0988","0.1259","","","","","","1.128","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019659","12.4422","0.0008","25.8315","0.0017","28.6553","0.0019","90","","98.691","0.001","90","","9104.1","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H94 As Dy2 N33 O61 W10 -","- C23 H74 As Dy2 N33 O59 W10 -","- C92 H296 As4 Dy8 N132 O236 W40 -","4","1","","Li, Fengyan; Guo, Weihua; Xu, Lin; Ma, Lifang; Wang, Yuchao","Two dysprosium-incorporated tungstoarsenates: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9220","9226","10.1039/c2dt12277d","","","0.71073","MoKα","","0.0856","0.0491","","","0.1088","0.1206","","","","","","0.961","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019660","34.395","0.008","16.729","0.011","16.314","0.013","90","","90","","90","","9387","10","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C H54 As2 Dy2.5 K8.5 O96 W18 -","- C As2 Dy2.5 K8.5 O95 W18 -","- C4 As8 Dy10 K34 O380 W72 -","4","0.5","","Li, Fengyan; Guo, Weihua; Xu, Lin; Ma, Lifang; Wang, Yuchao","Two dysprosium-incorporated tungstoarsenates: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9220","9226","10.1039/c2dt12277d","","","0.71073","MoKα","","0.0957","0.069","","","0.1648","0.1801","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019661","16.7268","0.0004","13.2938","0.0005","31.8075","0.0008","90","","103.225","0.0007","90","","6885.2","0.4","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H37 Cl Ir N3 O3 -","- C42.5 H37 Cl Ir N3 O3 -","- C340 H296 Cl8 Ir8 N24 O24 -","8","2","","Moriuchi, Toshiyuki; Mao, Lisheng; Wu, Hsyueh-Liang; Ohmura, Satoshi D.; Watanabe, Masami; Hirao, Toshikazu","Synthesis of facial cyclometalated iridium(iii) complexes triggered by tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9519","9525","10.1039/c2dt12309f","","","0.71075","MoKα","","","0.0587","","","","0.1891","","","","","","1.138","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019662","16.032","0.0005","14.8771","0.0005","16.3333","0.0005","90","","92.186","0.001","90","","3892.8","0.2","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Cl4 F3 Ir N3 O3 -","- C44 H37 Cl4 F3 Ir N3 O3 -","- C176 H148 Cl16 F12 Ir4 N12 O12 -","4","1","","Moriuchi, Toshiyuki; Mao, Lisheng; Wu, Hsyueh-Liang; Ohmura, Satoshi D.; Watanabe, Masami; Hirao, Toshikazu","Synthesis of facial cyclometalated iridium(iii) complexes triggered by tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9519","9525","10.1039/c2dt12309f","","","0.71075","MoKα","","","0.0463","","","","0.1473","","","","","","1.173","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019663","9.664","0.0004","10.8552","0.0004","20.4564","0.0008","90.745","0.003","94.299","0.003","104.891","0.003","2066.91","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H58 Cu Mo14 N12 O47 -","- C58 H56 Cu Mo14 N12 O47 -","- C58 H56 Cu Mo14 N12 O47 -","1","0.5","","Liu, Hai-Yan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","pH-dependent assembly of two inorganic-organic hybrid compounds based on octamolybdates: an unusual intercalated layer and a 3D 4-connected framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9922","9927","10.1039/c2dt12382g","","","0.71073","MoKα","","0.0827","0.0359","","","0.0463","0.0499","","","","","","0.726","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019664","9.7092","0.0002","10.5053","0.0002","25.5093","0.0004","90","","99.26","0.002","90","","2567.99","0.08","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C29 H42 Cu Mo8 N6 O33 -","- C29 H36 Cu Mo8 N6 O33 -","- C58 H72 Cu2 Mo16 N12 O66 -","2","0.5","","Liu, Hai-Yan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","pH-dependent assembly of two inorganic-organic hybrid compounds based on octamolybdates: an unusual intercalated layer and a 3D 4-connected framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9922","9927","10.1039/c2dt12382g","","","0.71073","MoKα","","0.0435","0.0342","","","0.1027","0.1053","","","","","","1.19","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019665","14.1623","0.0012","11.1055","0.0008","19.3952","0.0017","90","","91.551","0.005","90","","3049.3","0.4","92","2","92","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C51 H58.5 Cl4 N13.5 Ni2 O16 -","- C51 H58.5 Cl4 N13.5 Ni2 O16 -","- C102 H117 Cl8 N27 Ni4 O32 -","2","1","","Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9708","9721","10.1039/c2dt12449a","","","0.71073","MoKα","","0.0639","0.0504","","","0.1143","0.124","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019666","23.512","0.003","21.394","0.003","13.4375","0.0015","90","","90","","90","","6759.3","1.5","91","2","91","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H71 Cl4 Mn2 N13 O19 -","- C54 H71 Cl4 Mn2 N13 O19 -","- C216 H284 Cl16 Mn8 N52 O76 -","4","0.5","","Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9708","9721","10.1039/c2dt12449a","","","0.71073","MoKα","","0.1746","0.0966","","","0.2135","0.2464","","","","","","1.097","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019667","14.8889","0.0013","22.663","0.002","26.145","0.002","90","","102.529","0.004","90","","8611.9","1.3","91","2","91","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82.4 H93.6 B4 Co4 F20 N16 O2.4 -","- C82.4 H93.6 B4 Co4 F20 N16 O2.4 -","- C329.6 H374.4 B16 Co16 F80 N64 O9.6 -","4","0.5","","Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9708","9721","10.1039/c2dt12449a","","","0.71073","MoKα","","0.0424","0.0375","","","0.0964","0.0994","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019668","11.7624","0.0006","12.1889","0.0007","17.1948","0.0011","70.585","0.003","73.815","0.003","69.18","0.003","2136.9","0.2","91","2","91","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H94 B4 F20 N16 O3 Zn4 -","- C82 H94 B4 F20 N16 O3 Zn4 -","- C82 H94 B4 F20 N16 O3 Zn4 -","1","0.5","","Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9708","9721","10.1039/c2dt12449a","","","0.71073","MoKα","","0.051","0.0364","","","0.0893","0.0965","","","","","","1.026","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019669","11.7366","0.0008","14.644","0.0008","15.0144","0.0008","68.536","0.002","71.171","0.002","70.824","0.002","2207.3","0.2","92","2","92","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H100 B4 F20 N16 Ni4 O4 -","- C84 H100 B4 F20 N16 Ni4 O4 -","- C84 H100 B4 F20 N16 Ni4 O4 -","1","0.5","","Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9708","9721","10.1039/c2dt12449a","","","0.71073","MoKα","","0.0313","0.0271","","","0.0677","0.0699","","","","","","1.035","","","","has coordinates,has disorder","179900","2020-10-21","18:00:00",""
"7019670","8.889","0.004","17.062","0.008","18.513","0.008","64.89","0.02","78.41","0.02","89.91","0.02","2479","2","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.2 H46.9 B4 F16 N8.3 O0.4 Zn2 -","- C42.2 H46.9 B4 F16 N8.3 O0.4 Zn2 -","- C84.4 H93.8 B8 F32 N16.6 O0.8 Zn4 -","2","1","","Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally","Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9708","9721","10.1039/c2dt12449a","","","0.71073","MoKα","","0.1051","0.0567","","","0.1445","0.1717","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019671","38.794","0.008","20.94","0.004","17.201","0.003","90","","105.63","0.03","90","","13456","5","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C24 H103 N15 Ni12 O99 P2 W18 -","- C20 H55 N11 Ni12 O93 P2 W18 -","- C80 H220 N44 Ni48 O372 P8 W72 -","4","0.5","","Zheng, Yun-Yun; Wen, Ru; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Assembly of an undeca-nuclear nickel substituted POM through polycarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9871","9875","10.1039/c2dt12507b","","","0.71073","MoKα","","0.1194","0.0885","","","0.2325","0.2516","","","","","","1.033","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019672","22.325","0.004","20.827","0.004","13.671","0.003","90","","90","","90","","6357","2","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H79 N8 Ni6 O56 P W9 -","- C18 H53 N8 Ni6 O43 P W9 -","- C72 H212 N32 Ni24 O172 P4 W36 -","4","1","","Zheng, Yun-Yun; Wen, Ru; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Assembly of an undeca-nuclear nickel substituted POM through polycarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9871","9875","10.1039/c2dt12507b","","","0.71073","MoKα","","0.0629","0.0596","","","0.1486","0.1519","","","","","","1.027","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019673","19.698","0.0005","19.0319","0.0005","20.2888","0.0005","90","","90","","90","","7606.1","0.3","173","2","173","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C18 H70 Cl2 N9 Ni6 O60 P W9 -","- C18 H48 Cl2 N9 Ni6 O52 P W9 -","- C72 H192 Cl8 N36 Ni24 O208 P4 W36 -","4","0.5","","Zheng, Yun-Yun; Wen, Ru; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Assembly of an undeca-nuclear nickel substituted POM through polycarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9871","9875","10.1039/c2dt12507b","","","0.71073","MoKα","","0.0516","0.0456","","","0.0912","0.0943","","","","","","1.001","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019674","10.863","0.005","12.385","0.005","15.883","0.005","99.882","0.005","96.92","0.005","101.044","0.005","2040","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H66 N8 O72 Si Sr3 W12 -","- C28 H66 N8 O72 Si Sr3 W12 -","- C28 H66 N8 O72 Si Sr3 W12 -","1","0.5","","Zhang, Chun-Hua; Chen, Ya-Guang; Tang, Qun; Liu, Shu-Xia","Polynuclear complexes of main group and transition metals with polyaminopolycarboxylate and polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9971","9978","10.1039/c2dt12508k","","","0.71069","MoKα","","0.1284","0.0707","","","0.1202","0.1407","","","","","","0.991","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019675","11.631","0.005","12.618","0.005","14.792","0.005","81.908","0.005","89.246","0.005","79.762","0.005","2114.9","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H76 Cd4 N8 O72 Si W12 -","- C28 H76 Cd4 N8 O72 Si W12 -","- C28 H76 Cd4 N8 O72 Si W12 -","1","0.5","","Zhang, Chun-Hua; Chen, Ya-Guang; Tang, Qun; Liu, Shu-Xia","Polynuclear complexes of main group and transition metals with polyaminopolycarboxylate and polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9971","9978","10.1039/c2dt12508k","","","0.71069","MoKα","","0.1149","0.0722","","","0.1443","0.1648","","","","","","1.065","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019676","35.752","0.005","11.4043","0.0014","24.425","0.003","90","","121.783","0.002","90","","8465.4","1.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H64 Cu3 N6 Na2 O76 Si W12 -","- C28 H64 Cu3 N6 Na2 O76 Si W12 -","- C112 H256 Cu12 N24 Na8 O304 Si4 W48 -","4","0.5","","Zhang, Chun-Hua; Chen, Ya-Guang; Tang, Qun; Liu, Shu-Xia","Polynuclear complexes of main group and transition metals with polyaminopolycarboxylate and polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9971","9978","10.1039/c2dt12508k","","","0.71073","MoKα","","0.1232","0.0901","","","0.2155","0.2356","","","","","","1.107","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019677","11.859","0.005","12.37","0.005","17.395","0.005","69.367","0.005","77.299","0.005","77.939","0.005","2305.4","1.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H80 N7 Na Ni4 O78 Si W12 -","- C32 H80 N7 Na Ni4 O78 Si W12 -","- C32 H80 N7 Na Ni4 O78 Si W12 -","1","0.5","","Zhang, Chun-Hua; Chen, Ya-Guang; Tang, Qun; Liu, Shu-Xia","Polynuclear complexes of main group and transition metals with polyaminopolycarboxylate and polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9971","9978","10.1039/c2dt12508k","","","0.71069","MoKα","","0.0886","0.083","","","0.2049","0.2084","","","","","","1.11","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7019678","36.118","0.004","11.4413","0.0011","24.623","0.003","90","","122.324","0.003","90","","8598.4","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H68 N4 O82 Si W12 Zn5 -","- C28 H68 N4 O82 Si W12 Zn5 -","- C112 H272 N16 O328 Si4 W48 Zn20 -","4","0.5","","Zhang, Chun-Hua; Chen, Ya-Guang; Tang, Qun; Liu, Shu-Xia","Polynuclear complexes of main group and transition metals with polyaminopolycarboxylate and polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9971","9978","10.1039/c2dt12508k","","","0.71073","MoKα","","0.1484","0.1164","","","0.2439","0.2558","","","","","","1.205","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019679","11.25","0.005","12.43","0.005","16.82","0.005","91.142","0.005","94.896","0.005","102.639","0.005","2284.9","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H80 Ca4 N4 O86 Si W12 -","- C28 H80 Ca4 N4 O86 Si W12 -","- C28 H80 Ca4 N4 O86 Si W12 -","1","0.5","","Zhang, Chun-Hua; Chen, Ya-Guang; Tang, Qun; Liu, Shu-Xia","Polynuclear complexes of main group and transition metals with polyaminopolycarboxylate and polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9971","9978","10.1039/c2dt12508k","","","0.71069","MoKα","","0.0964","0.077","","","0.185","0.1932","","","","","","1.105","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7019680","10.837","0.0002","12.5241","0.0002","17.2299","0.0003","90","","108.281","0.001","90","","2220.48","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Al P -","- C22 H34 Al P -","- C88 H136 Al4 P4 -","4","1","","Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner","Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9033","9045","10.1039/c2dt30080j","","","1.54184","CuKα","","0.0662","0.0549","","","0.1485","0.1542","","","","","","1.005","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019681","10.2266","0.0001","19.49","0.0002","9.6615","0.0001","90","","109.275","0.001","90","","1817.75","0.03","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Al2 P2 -","- C36 H60 Al2 P2 -","- C72 H120 Al4 P4 -","2","0.5","","Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner","Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9033","9045","10.1039/c2dt30080j","","","1.54178","CuKα","","0.0409","0.0376","","","0.1059","0.108","","","","","","1.063","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019682","10.449","0.0001","15.3975","0.0002","13.6643","0.0002","90","","106.326","0.001","90","","2109.78","0.05","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 Al2 P2 -","- C42 H72 Al2 P2 -","- C84 H144 Al4 P4 -","2","0.5","","Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner","Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9033","9045","10.1039/c2dt30080j","","","1.54178","CuKα","","0.0583","0.0527","","","0.1288","0.1335","","","","","","1.021","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019683","9.9285","0.0003","10.7738","0.0004","21.3657","0.0007","79.662","0.002","84.097","0.002","66.108","0.001","2054.52","0.12","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H76 Al2 P2 -","- C36 H76 Al2 P2 -","- C72 H152 Al4 P4 -","2","1","","Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner","Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9033","9045","10.1039/c2dt30080j","","","1.54178","CuKα","","0.0528","0.0488","","","0.1183","0.1208","","","","","","1.087","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7019684","7.779","0.0003","9.1298","0.0003","15.9543","0.0005","91.206","0.003","91.247","0.003","114.46","0.003","1030.59","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 Al O2 P -","- C19 H30 Al O2 P -","- C38 H60 Al2 O4 P2 -","2","1","","Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner","Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9033","9045","10.1039/c2dt30080j","","","0.71073","MoKα","","0.0441","0.0353","","","0.091","0.0932","","","","","","1.07","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019685","8.3516","0.0005","8.9767","0.0005","17.3493","0.0009","81.019","0.004","76.329","0.004","80.138","0.004","1236.03","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 Al N O P -","- C25 H35 Al N O P -","- C50 H70 Al2 N2 O2 P2 -","2","1","","Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner","Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9033","9045","10.1039/c2dt30080j","","","0.71073","MoKα","","0.044","0.0314","","","0.0784","0.0814","","","","","","0.976","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019686","12.8546","0.0005","12.3967","0.0009","16.4403","0.0007","90","","110.714","0.003","90","","2450.5","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Al N O P -","- C25 H35 Al N O P -","- C100 H140 Al4 N4 O4 P4 -","4","1","","Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner","Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9033","9045","10.1039/c2dt30080j","","","0.71073","MoKα","","0.0729","0.0513","","","0.1358","0.1459","","","","","","1.006","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019687","38.2157","0.0004","14.1078","0.0001","15.6568","0.0002","90","","112.305","0.001","90","","7809.6","0.15","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52.5 Al F N O P -","- C44 H52.5 Al F N O P -","- C352 H420 Al8 F8 N8 O8 P8 -","8","1","","Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner","Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9033","9045","10.1039/c2dt30080j","","","1.54178","CuKα","","0.0601","0.0544","","","0.1546","0.161","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019688","10.938","0.001","13.874","0.002","13.929","0.002","65.398","0.002","70.044","0.002","73.417","0.002","1780.9","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H48 Ag5 Cu N24 O43 P W11 -","- C28 H40 Ag5 Cu N24 O43 P W11 -","- C28 H40 Ag5 Cu N24 O43 P W11 -","1","0.5","","Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Chen, Ya-Guang","A feasible route to approach 3D POM-based hybrids: utilizing substituted or reduced Keggin anions with high charge density.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9365","9372","10.1039/c2dt30152k","","","0.71069","MoK\α","","0.0935","0.0712","","","0.1644","0.1759","","","","","","1.097","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019689","10.913","0.004","13.861","0.005","13.935","0.005","65.148","0.003","70.187","0.003","73.344","0.003","1773.6","1.1","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H46 Ag4.33 Mn Mo11 N24 Na0.67 O42 P -","- C28 H40 Ag4.33 Mn Mo11 N24 Na0.67 O42 P -","- C28 H40 Ag4.33 Mn Mo11 N24 Na0.67 O42 P -","1","0.5","","Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Chen, Ya-Guang","A feasible route to approach 3D POM-based hybrids: utilizing substituted or reduced Keggin anions with high charge density.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9365","9372","10.1039/c2dt30152k","","","0.71069","MoK\α","","0.111","0.0835","","","0.2054","0.2169","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019690","10.906","0.001","13.636","0.001","13.871","0.001","64.972","0.001","73.321","0.001","69.853","0.001","1730.4","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H48 Cu4 Mn Mo11 N24 Na O43 P -","- C28 H40 Cu4 Mn Mo11 N24 Na O43 P -","- C28 H40 Cu4 Mn Mo11 N24 Na O43 P -","1","0.5","","Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Chen, Ya-Guang","A feasible route to approach 3D POM-based hybrids: utilizing substituted or reduced Keggin anions with high charge density.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9365","9372","10.1039/c2dt30152k","","","0.71069","MoK\α","","0.074","0.061","","","0.1231","0.13","","","","","","1.071","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019691","13.119","0.001","22.809","0.001","11.84","0.002","90","","91.946","0.001","90","","3540.9","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Ag5 N24 O40 P W12 -","- C28 H40 Ag5 N24 O40 P W12 -","- C56 H80 Ag10 N48 O80 P2 W24 -","2","0.5","","Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Chen, Ya-Guang","A feasible route to approach 3D POM-based hybrids: utilizing substituted or reduced Keggin anions with high charge density.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9365","9372","10.1039/c2dt30152k","","","0.71069","MoK\α","","0.0442","0.0342","","","0.0829","0.0871","","","","","","1.087","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019692","13.056","0.001","22.964","0.001","11.808","0.001","90","","91.941","0.005","90","","3538.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Ag5 Mo12 N24 O40 P -","- C28 H40 Ag5 Mo12 N24 O40 P -","- C56 H80 Ag10 Mo24 N48 O80 P2 -","2","0.5","","Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Chen, Ya-Guang","A feasible route to approach 3D POM-based hybrids: utilizing substituted or reduced Keggin anions with high charge density.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9365","9372","10.1039/c2dt30152k","","","0.71069","MoK\α","","0.0821","0.0421","","","0.0579","0.06","","","","","","1.081","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019693","18.5031","0.0008","17.862","0.0008","27.4342","0.0011","90","","90","","90","","9067.1","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H33 B F20 O P Ti -","- C48 H33 B F20 O P Ti -","- C384 H264 B8 F160 O8 P8 Ti8 -","8","1","","Chapman, Andy M.; Wass, Duncan F.","Cationic Ti(iv) and neutral Ti(iii) titanocene-phosphinoaryloxide frustrated Lewis pairs: hydrogen activation and catalytic amine-borane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9067","9072","10.1039/c2dt30168g","","","0.71073","MoKα","","0.0766","0.0436","","","0.0933","0.1092","","","","","","0.984","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019694","9.599","0.002","10.528","0.003","10.456","0.003","90","","96.26","0.006","90","","1050.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 O P Ti -","- C24 H32 O P Ti -","- C48 H64 O2 P2 Ti2 -","2","1","","Chapman, Andy M.; Wass, Duncan F.","Cationic Ti(iv) and neutral Ti(iii) titanocene-phosphinoaryloxide frustrated Lewis pairs: hydrogen activation and catalytic amine-borane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9067","9072","10.1039/c2dt30168g","","","1.54178","CuKα","","0.038","0.0377","","","0.1","0.1004","","","","","","1.025","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019695","18.3571","0.0017","17.9992","0.0019","23.152","0.004","90","","90","","90","","7649.7","1.7","100","","100","","","","","","","","dichloromethane,hexane","3","P b c a","-P 2ac 2ab","61","","1,2-di(fluoren-9'-ylidene)-3,4-di(spiro-9H-fluorene)-cyclobutane dichloromethane solvate","","- C55 H34 Cl2 -","- C55 H34 Cl2 -","- C440 H272 Cl16 -","8","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.1348","0.0651","","","0.1191","0.1437","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019696","14.0303","0.0008","8.079","0.0008","15.6424","0.0012","90","","111.802","0.004","90","","1646.3","0.2","100","","100","","","","","","","","pentane","4","P 1 21/n 1","-P 2yn","14","","2-(1,2,3,4-(tetramethyl)imidazol-3-ium-2-yl)- 1,1,3,3-tetra(trifluoromethyl)-propan-2-ide","","- C14 H12 F12 N2 -","- C14 H12 F12 N2 -","- C56 H48 F48 N8 -","4","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.0786","0.0557","","","0.1597","0.1772","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019697","10.3691","0.0005","16.1875","0.0009","15.839","0.001","90","","95.356","0.004","90","","2647","0.3","100","","100","","","","","","","","dichloromethane","4","C 1 2/c 1","-C 2yc","15","","2-(1,3-di(tert-butyl)imidazol-3-ium-2-yl)- 1,1,3,3-tetra-ethyloxycarbonyl-propan-2-ide","","- C26 H40 N2 O8 -","- C26 H40 N2 O8 -","- C104 H160 N8 O32 -","4","0.5","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.0476","0.036","","","0.0919","0.0979","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019698","9.5811","0.0007","20.936","0.0019","9.7491","0.0007","90","","115.659","0.006","90","","1762.7","0.3","100","","100","","","","","","","","hexane","3","P 1 21/c 1","-P 2ybc","14","","1,1-di(ethoxycarbonyl)-2-(9H-fluoren-9-ylidene)-ethene","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.1006","0.0656","","","0.1703","0.1922","","","","","","1.194","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019699","4.7229","0.0002","9.6401","0.0005","19.1004","0.0009","100.459","0.002","95.176","0.002","102.972","0.002","825.53","0.07","200","2","200","2","","","","","","","liquid","3","P -1","-P 1","2","","1,1,3,3-tetra(ethoxylcarbonyl)allene","","- C15 H20 O8 -","- C15 H20 O8 -","- C30 H40 O16 -","2","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","1.54178","Cu-Kα","","0.0758","0.0612","","","0.1588","0.1692","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019700","13.7855","0.0013","18.3094","0.0012","21.682","0.002","90","","90","","90","","5472.6","0.8","100","","100","","","","","","","","dichloromethane,pentane","4","P b c a","-P 2ac 2ab","61","","1-(1,3-di(tert-butyl)imidazol-3-ium-2-yl)-1-(9H-fluoren-9-yl-8a-ide)- 2,2-di(ethoxycarbonyl)ethane","","- C32 H38 N2 O4 -","- C32 H38 N2 O4 -","- C256 H304 N16 O32 -","8","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.0669","0.0465","","","0.1162","0.1296","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019701","4.5285","0.0002","45.944","0.002","8.2961","0.0004","90","","101.41","0.003","90","","1691.95","0.13","100","","100","","","","","","","","hexane","4","P 1 21/n 1","-P 2yn","14","","1,1-di(ethoxycarbonyl)-2-(9H-3,6-difluoro-fluoren-9-ylidene)-ethene","","- C21 H16 F2 O4 -","- C21 H16 F2 O4 -","- C84 H64 F8 O16 -","4","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","1.54178","Cu-Kα","","0.0671","0.0544","","","0.1368","0.1465","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019702","10.4125","0.0004","12.2494","0.0014","16.5886","0.0007","98.106","0.005","97.846","0.005","110.584","0.005","1921","0.3","100","","100","","","","","","","","methylene chloride, pentane","5","P -1","-P 1","2","","1-(4-(methyl)phenylthio)-carbo-bis(triphenyl)phosphonium hexafluorophosphate","","- C44 H37 F6 P3 S -","- C44 H37 F6 P3 S -","- C88 H74 F12 P6 S2 -","2","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.0948","0.0565","","","0.1275","0.1464","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019703","13.9352","0.0018","18.6325","0.0014","21.797","0.003","90","","90","","90","","5659.5","1.1","100","","100","","","","","","","","diethylether","5","P b c a","-P 2ac 2ab","61","","1-(1,3-di(tert-butyl)imidazol-3-ium-2-yl)-1-(9H-3,6-difluoro- fluoren-9-yl-8a-ide)-2,2-di(ethoxycarbonyl)ethane","","- C32 H36 F2 N2 O4 -","- C32 H36 F2 N2 O4 -","- C256 H288 F16 N16 O32 -","8","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.0881","0.0514","","","0.1081","0.1245","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019704","7.266","0.002","20.145","0.006","9.725","0.003","90","","90","","90","","1423.5","0.7","100","","100","","","","","","","","hexane,dichloromethane","3","P n a 21","P 2c -2n","33","","1,1-di(trifluoromethyl)-2-(9H-fluoren-9-ylidene)-ethene","","- C17 H8 F6 -","- C17 H8 F6 -","- C68 H32 F24 -","4","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","Mo-Kα","","0.0719","0.0643","","","0.1737","0.1819","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019705","7.9304","0.0017","12.5572","0.0016","13.327","0.004","98.06","0.02","104.24","0.02","105.687","0.012","1207.7","0.5","200","","200","","","","","","","","hexane","5","P -1","-P 1","2","","1-(3,5-difluoro-9H-fluoren-9-ylidene)-1-(4-(methyl)phenylthio)- 2,2-di(ethoxycarbonyl)-ethane","","- C28 H24 F2 O4 S -","- C28 H24 F2 O4 S -","- C56 H48 F4 O8 S2 -","2","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.061","0.0452","","","0.1106","0.1207","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019706","9.7343","0.0004","10.7665","0.0004","14.9487","0.0006","98.123","0.001","97.127","0.002","106.658","0.001","1463.34","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H27 B F13 O5 P S -","- C26 H27 B F13 O5 P S -","- C52 H54 B2 F26 O10 P2 S2 -","2","1","","Neu, Rebecca C.; Ménard, Gabriel; Stephan, Douglas W.","Exchange chemistry of tBu(3)P(CO(2))B(C(6)F(5))(2)Cl.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9016","9018","10.1039/c2dt30206c","","","0.71073","mokα","","0.0354","0.0303","","","0.0803","0.0835","","","","","","1.043","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019707","18.2162","0.0008","15.2634","0.0007","24.7764","0.0011","90","","108.346","0.002","90","","6538.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Al F15 O2 P -","- C31 H27 Al F15 O2 P -","- C248 H216 Al8 F120 O16 P8 -","8","2","","Neu, Rebecca C.; Ménard, Gabriel; Stephan, Douglas W.","Exchange chemistry of tBu(3)P(CO(2))B(C(6)F(5))(2)Cl.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9016","9018","10.1039/c2dt30206c","","","0.71073","MoKα","","0.0843","0.0464","","","0.1059","0.1219","","","","","","1.018","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019708","10.7349","0.0009","14.4145","0.0012","15.088","0.0011","85.942","0.004","88.205","0.004","81.85","0.005","2304.8","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H37 B Cl F20 O2 P Ti -","- C47 H37 B Cl F20 O2 P Ti -","- C94 H74 B2 Cl2 F40 O4 P2 Ti2 -","2","1","","Neu, Rebecca C.; Ménard, Gabriel; Stephan, Douglas W.","Exchange chemistry of tBu(3)P(CO(2))B(C(6)F(5))(2)Cl.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9016","9018","10.1039/c2dt30206c","","","0.71073","MoKα","","0.1021","0.0483","","","0.0911","0.108","","","","","","1.011","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019709","21.975","0.003","17.625","0.002","29.216","0.003","90","","130.373","0.006","90","","8620.7","1.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N6 O P -","- C22 H23 N6 O P -","- C352 H368 N96 O16 P16 -","16","4","","Gupta, Arvind K.; Steiner, Alexander; Boomishankar, Ramamoorthy","Tri-, hepta- and octa-nuclear Ag(i) complexes derived from 2-pyridyl-functionalized tris(amido)phosphate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9753","9759","10.1039/c2dt30241a","","","0.71073","MoKα","","0.1054","0.0537","","","0.1172","0.1414","","","","","","1.007","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019710","14.0273","0.0012","22.194","0.002","14.8103","0.0013","90","","98.846","0.005","90","","4555.9","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H36 Ag3 N15 O14 P2 -","- C30 H30 Ag3 N15 O14 P2 -","- C120 H120 Ag12 N60 O56 P8 -","4","2","","Gupta, Arvind K.; Steiner, Alexander; Boomishankar, Ramamoorthy","Tri-, hepta- and octa-nuclear Ag(i) complexes derived from 2-pyridyl-functionalized tris(amido)phosphate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9753","9759","10.1039/c2dt30241a","","","0.71073","MoKα","","0.1424","0.0929","","","0.2212","0.2545","","","","","","1.002","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019711","49.075","0.003","13.2864","0.0007","27.6363","0.0015","90","","90.737","0.002","90","","18018.2","1.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H80 Ag8 Cl4 N24 O28 P4 -","- C60 H56 Ag8 Cl3.99 N24 O25.96 P4 -","- C480 H448 Ag64 Cl31.92 N192 O207.68 P32 -","8","1","","Gupta, Arvind K.; Steiner, Alexander; Boomishankar, Ramamoorthy","Tri-, hepta- and octa-nuclear Ag(i) complexes derived from 2-pyridyl-functionalized tris(amido)phosphate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9753","9759","10.1039/c2dt30241a","","","0.71073","MoKα","","0.1249","0.0681","","","0.1861","0.2278","","","","","","1.018","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019712","14.1261","0.0003","14.1261","0.0003","24.5724","0.0014","90","","90","","120","","4246.4","0.3","296","2","296","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C45 H41 Ag7 B F4 N18 O4 P3 -","- C45 H39 Ag7 B0.99 F3.96 N18 O3.99 P3 -","- C135 H117 Ag21 B2.97 F11.88 N54 O11.97 P9 -","3","0.333333","","Gupta, Arvind K.; Steiner, Alexander; Boomishankar, Ramamoorthy","Tri-, hepta- and octa-nuclear Ag(i) complexes derived from 2-pyridyl-functionalized tris(amido)phosphate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9753","9759","10.1039/c2dt30241a","","","0.71073","MoKα","","0.0744","0.0395","","","0.0917","0.1226","","","","","","1.038","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019713","49.075","0.003","13.2864","0.0007","27.6363","0.0015","90","","90.737","0.002","90","","18018.2","1.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H80 Ag8 Cl4 N24 O28 P4 -","- C60 H56 Ag8 N24 O4 P4 -","- C480 H448 Ag64 N192 O32 P32 -","8","1","","Gupta, Arvind K.; Steiner, Alexander; Boomishankar, Ramamoorthy","Tri-, hepta- and octa-nuclear Ag(i) complexes derived from 2-pyridyl-functionalized tris(amido)phosphate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9753","9759","10.1039/c2dt30241a","","","0.71073","MoKα","","0.0809","0.0438","","","0.1038","0.1121","","","","","","1.002","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019714","9.164","0.0018","10.472","0.002","13.747","0.003","99.63","0.03","103.84","0.03","99.14","0.03","1235.3","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H56 N2 -","- C68 H56 N2 -","- C68 H56 N2 -","1","0.5","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.1615","0.0597","","","0.1196","0.155","","","","","","0.971","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019715","9.5232","0.0015","11.2997","0.0015","22.111","0.003","90","","93.139","0.006","90","","2375.8","0.6","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N -","- C33 H29 N -","- C132 H116 N4 -","4","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.1599","0.0657","","","0.1235","0.1529","","","","","","0.948","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019716","13.639","0.003","14.388","0.003","14.442","0.003","101.09","0.03","92.85","0.03","96.22","0.03","2757.5","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 N2 O -","- C72 H68 N2 O -","- C144 H136 N4 O2 -","2","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.0824","0.0505","","","0.1243","0.1423","","","","","","1.032","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019717","13.5047","0.0003","8.5025","0.0002","15.2657","0.0005","90","","106.372","0.003","90","","1681.79","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","- C48 H96 I4 Na4 O24 -","4","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.0379","0.0343","","","0.0883","0.0917","","","","","","1.137","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019718","12.329","0.003","12.39","0.003","24.625","0.005","88.71","0.03","83.1","0.03","74.15","0.03","3592.2","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 Ga N4 Na -","- C88 H88 Ga N4 Na -","- C176 H176 Ga2 N8 Na2 -","2","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.0726","0.05","","","0.1194","0.1324","","","","","","1.023","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019719","22.532","0.005","14.975","0.003","22.623","0.005","90","","90","","90","","7633","3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C92 H90 Ga N4 Na -","- C92 H90 Ga N4 Na -","- C368 H360 Ga4 N16 Na4 -","4","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.1156","0.0862","","","0.2277","0.2483","","","","","","1.059","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019720","36.638","0.007","11.566","0.002","25.97","0.005","90","","134.67","0.03","90","","7826","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H104 Ga N2 Na O6 -","- C92 H104 Ga N2 Na O6 -","- C368 H416 Ga4 N8 Na4 O24 -","4","0.5","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.0789","0.0506","","","0.131","0.147","","","","","","1.032","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019721","12.676","0.003","20.958","0.004","14.496","0.003","90","","111.37","0.03","90","","3586.3","1.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H92 Ga N4 Na O2 -","- C82 H92 Ga N4 Na O2 -","- C164 H184 Ga2 N8 Na2 O4 -","2","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.0965","0.0529","","","0.0783","0.0908","","","","","","1.031","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019722","8.0968","0.0007","13.8541","0.0014","14.1577","0.0016","62.271","0.011","74.193","0.009","89.796","0.007","1338.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H41 Ga N2 -","- C29 H41 Ga N2 -","- C58 H82 Ga2 N4 -","2","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.0782","0.0517","","","0.1166","0.1218","","","","","","0.915","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019723","14.8206","0.0004","17.7618","0.0005","18.724","0.0006","84.734","0.003","89.572","0.002","85.108","0.002","4890.2","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H137 Ga5 I4 N6 -","- C93 H137 Ga5 I4 N6 -","- C186 H274 Ga10 I8 N12 -","2","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.0898","0.0553","","","0.1201","0.1476","","","","","","1.08","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019724","29.289","0.002","18.5771","0.0011","27.2048","0.0015","90","","113.438","0.006","90","","13580.9","1.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 Mo5 N3 O19 V -","- C48 H108 Mo4.998 N3 O19 V1.002 -","- C384 H864 Mo39.984 N24 O152 V8.016 -","8","1","","Tucher, Johannes; Wu, Yanlin; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Khusniyarov, Marat M.; Streb, Carsten","Metal substitution in a Lindqvist polyoxometalate leads to improved photocatalytic performance.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9938","9943","10.1039/c2dt30304c","","","0.71073","MoKα","","0.0525","0.0347","","","0.0881","0.0993","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019725","24.8125","0.0007","19.0369","0.0006","20.6797","0.0005","90","","116.062","0.002","90","","8774.9","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 B F15 P -","- C49 H35 B F15 P -","- C392 H280 B8 F120 P8 -","8","1","","Feldhaus, Philipp; Schirmer, Birgitta; Wibbeling, Birgit; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis pair addition to conjugated diynes: Formation of zwitterionic 1,2,3-butatriene derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9135","9142","10.1039/c2dt30321c","","","1.54178","CuKα","","0.0549","0.0473","","","0.1153","0.1204","","","","","","1.03","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019726","12.9072","0.0005","13.7445","0.0004","14.2563","0.0006","66.14","0.002","65.66","0.002","66.373","0.002","2022.53","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 B F15 P -","- C40 H41 B F15 P -","- C80 H82 B2 F30 P2 -","2","1","","Feldhaus, Philipp; Schirmer, Birgitta; Wibbeling, Birgit; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis pair addition to conjugated diynes: Formation of zwitterionic 1,2,3-butatriene derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9135","9142","10.1039/c2dt30321c","","","1.54178","CuKα","","0.0476","0.0439","","","0.1181","0.1214","","","","","","1.031","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019727","12.918","0.0003","14.0824","0.0008","24.6152","0.0013","84.704","0.003","82.226","0.002","82.855","0.003","4389.3","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H44 B Cl3 F15 P -","- C41.5 H44 B Cl3 F15 P -","- C166 H176 B4 Cl12 F60 P4 -","4","2","","Feldhaus, Philipp; Schirmer, Birgitta; Wibbeling, Birgit; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis pair addition to conjugated diynes: Formation of zwitterionic 1,2,3-butatriene derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9135","9142","10.1039/c2dt30321c","","","1.54178","CuKα","","0.0815","0.0662","","","0.1725","0.1871","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019728","14.0349","0.0005","13.4667","0.0004","19.4024","0.0006","90","","102.704","0.003","90","","3577.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 B F15 P -","- C36 H33 B F15 P -","- C144 H132 B4 F60 P4 -","4","1","","Feldhaus, Philipp; Schirmer, Birgitta; Wibbeling, Birgit; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis pair addition to conjugated diynes: Formation of zwitterionic 1,2,3-butatriene derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9135","9142","10.1039/c2dt30321c","","","1.54178","CuKα","","0.0551","0.0449","","","0.1101","0.1182","","","","","","1.047","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019729","17.5937","0.0004","13.1421","0.0003","15.836","0.0003","90","","109.675","0.001","90","","3447.8","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 B F15 P -","- C36 H33 B F15 P -","- C144 H132 B4 F60 P4 -","4","1","","Feldhaus, Philipp; Schirmer, Birgitta; Wibbeling, Birgit; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis pair addition to conjugated diynes: Formation of zwitterionic 1,2,3-butatriene derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9135","9142","10.1039/c2dt30321c","","","0.71073","MoKα","","0.0996","0.0774","","","0.1623","0.1771","","","","","","1.124","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019730","13.6661","0.0005","15.4254","0.0004","15.4744","0.0004","90","","105.939","0.003","90","","3136.67","0.17","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 B F15 P -","- C32 H25 B F15 P -","- C128 H100 B4 F60 P4 -","4","1","","Feldhaus, Philipp; Schirmer, Birgitta; Wibbeling, Birgit; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis pair addition to conjugated diynes: Formation of zwitterionic 1,2,3-butatriene derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9135","9142","10.1039/c2dt30321c","","","1.54178","CuKα","","0.0466","0.0405","","","0.1014","0.1069","","","","","","1.017","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019731","30.7555","0.0009","30.7555","0.0009","7.3013","0.0004","90","","90","","120","","5981","0.4","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H15 N2 Na O5 -","- C11 H15 N2 Na O5 -","- C198 H270 N36 Na18 O90 -","18","1","","Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash","Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9192","9201","10.1039/c2dt30322a","","","0.71073","MoKα","","0.0513","0.0386","","","0.1026","0.1192","","","","","","1.091","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019732","7.8471","0.0004","17.0584","0.0008","11.0122","0.0005","90","","93.922","0.001","90","","1470.63","0.12","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cu N3 O7 -","- C12 H15 Cu N3 O7 -","- C48 H60 Cu4 N12 O28 -","4","1","","Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash","Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9192","9201","10.1039/c2dt30322a","","","0.71073","MoKα","","0.0276","0.0255","","","0.0695","0.0709","","","","","","1.072","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019733","7.3879","0.0009","11.4695","0.0013","15.3898","0.0018","93.602","0.002","102.437","0.002","103.124","0.002","1231.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cu N2 O5 -","- C11 H14 Cu N2 O5 -","- C44 H56 Cu4 N8 O20 -","4","2","","Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash","Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9192","9201","10.1039/c2dt30322a","","","0.71073","MoKα","","0.0471","0.0379","","","0.0982","0.1048","","","","","","1.047","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019734","10.159","0.003","14.1559","0.0007","11.895","0.002","90","","114.11","0.03","90","","1561.4","0.6","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Cu N3 O7 -","- C13 H17 Cu N3 O7 -","- C52 H68 Cu4 N12 O28 -","4","1","","Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash","Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9192","9201","10.1039/c2dt30322a","","","0.7107","MoKα","","0.0377","0.03","","","0.0682","0.0723","","","","","","1.058","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019735","8.168","0.0005","8.2337","0.0006","8.5815","0.0006","109.642","0.007","99.708","0.005","110.471","0.006","481.69","0.07","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N4 O4 -","- C8 H10 N4 O4 -","- C16 H20 N8 O8 -","2","1","","Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash","Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9192","9201","10.1039/c2dt30322a","","","0.7107","MoKα","","0.0531","0.0413","","","0.1059","0.1137","","","","","","1.088","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019736","10.4698","0.0003","16.4472","0.0005","20.0203","0.0006","77.4208","0.0015","90.005","0.0015","80.2753","0.0016","3313.93","0.17","150","","150","","","","","","","","SYN","3","P -1","-P 1","2","tris(2,2,2nonafluorobiphenyl)borane","tris(2,2,2nonafluorobiphenyl)borane","","- C36 B F27 -","- C36 B F27 -","- C144 B4 F108 -","4","2","","Binding, Samantha C.; Zaher, Hasna; Mark Chadwick, F.; O'Hare, Dermot","Heterolytic activation of hydrogen using frustrated Lewis pairs containing tris(2,2',2''-perfluorobiphenyl)borane.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9061","9066","10.1039/c2dt30334e","","","0.71073","MoKα","","0.1036","0.0868","","0.2484","0.2264","0.2482","","","","","","0.9663","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019737","16.782","0.003","26.29","0.005","29.175","0.006","90","0.03","91.69","0.03","90","0.03","12866","4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H98 Ba Co O33 Sb12 -","- C84 H84 Ba Co O33 Sb12 -","- C336 H336 Ba4 Co4 O132 Sb48 -","4","1","","Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania","Isopolyoxometalates derived from arylstibonic acids with ""reverse-Keggin ion"" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9964","9970","10.1039/c2dt30341h","","","1.5418","CuKα","","0.2601","0.1278","","","0.3147","0.3666","","","","","","1.023","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019738","16.5969","0.0007","16.5969","0.0007","24.2315","0.0017","90","","90","","90","","6674.7","0.6","139","2","139","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C84 H120 Cl2 Co5 O46 Sb12 -","- C84 H84 Cl1.98 Co5 O46 Sb12 -","- C168 H168 Cl3.96 Co10 O92 Sb24 -","2","0.25","","Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania","Isopolyoxometalates derived from arylstibonic acids with ""reverse-Keggin ion"" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9964","9970","10.1039/c2dt30341h","","","1.54178","CuKα","","0.054","0.0459","","","0.1231","0.131","","","","","","1.046","","","","has coordinates","288261","2023-12-12","20:49:16",""
"7019739","15.293","0.0002","25.0465","0.0004","19.1113","0.0003","90","","92.597","0.001","90","","7312.8","0.19","89","2","89","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C108 H106 Br1.4 Cl14.46 N10 O29 Sb12 Sr0.14 Zn4.86 -","- C108 H96 Br1.4 Cl14.46 N10 O29 Sb12 Sr0.14 Zn4.86 -","- C216 H192 Br2.8 Cl28.92 N20 O58 Sb24 Sr0.28 Zn9.72 -","2","0.5","","Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania","Isopolyoxometalates derived from arylstibonic acids with ""reverse-Keggin ion"" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9964","9970","10.1039/c2dt30341h","","","0.71073","MoKα","","0.0666","0.0496","","","0.132","0.1415","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019740","23.7522","0.0003","23.7522","0.0003","44.6195","0.0015","90","","90","","120","","21800.3","0.8","93","2","93","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C72 H116 Cl14 Co5 O62 Sb12 -","- C72 H48 Cl13.995 Co5 O62 Sb12 -","- C432 H288 Cl83.97 Co30 O372 Sb72 -","6","0.333333","","Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania","Isopolyoxometalates derived from arylstibonic acids with ""reverse-Keggin ion"" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9964","9970","10.1039/c2dt30341h","","","0.71073","MoKα","","0.0314","0.0294","","","0.0826","0.0839","","","","","","1.051","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019741","12.975","0.004","15.422","0.004","21.476","0.006","70.81","0.006","80.491","0.005","84.455","0.006","3999","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- H62 K11 O99 Sb3 Si2 W18 -","- K10 O81.75 Sb3 Si2 W18 -","- K20 O163.5 Sb6 Si4 W36 -","2","1","","Assran, Awatef S.; Izarova, Natalya V.; Banerjee, Abhishek; Rabie, Usama M.; Abou-El-Wafa, Moustafa H M; Kortz, Ulrich","The antimony(iii)-bridged heteropolyanion sandwich dimers [Sb(III)(3)(A-α-XW(9)O(34))(2)](11-) (X = Si(IV), Ge(IV)) and C-shaped double-sandwich [Sb(III)(6)O(2)(PW(6)O(26))(A-α-PW(9)O(34))(2)](15-).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9914","9921","10.1039/c2dt30355h","","","0.71073","MoKα","","0.1184","0.0778","","","0.187","0.2136","","","","","","1.024","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019742","12.9493","0.0015","15.3563","0.0018","21.409","0.003","71.04","0.004","80.442","0.005","84.34","0.005","3965.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Ge2 H62 K11 O99 Sb3 W18 -","- Ge2 K10.25 O80.5 Sb3 W18 -","- Ge4 K20.5 O161 Sb6 W36 -","2","1","","Assran, Awatef S.; Izarova, Natalya V.; Banerjee, Abhishek; Rabie, Usama M.; Abou-El-Wafa, Moustafa H M; Kortz, Ulrich","The antimony(iii)-bridged heteropolyanion sandwich dimers [Sb(III)(3)(A-α-XW(9)O(34))(2)](11-) (X = Si(IV), Ge(IV)) and C-shaped double-sandwich [Sb(III)(6)O(2)(PW(6)O(26))(A-α-PW(9)O(34))(2)](15-).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9914","9921","10.1039/c2dt30355h","","","0.71073","MoKα","","0.0936","0.073","","","0.2079","0.2266","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019743","13.1494","0.0015","19.549","0.002","27.753","0.003","70.011","0.005","85.556","0.005","78.178","0.005","6561.9","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- H122 K14 Na O157 P3 Sb6 W24 -","- K12 O122.05 P3 Sb6 W24 -","- K24 O244.1 P6 Sb12 W48 -","2","1","","Assran, Awatef S.; Izarova, Natalya V.; Banerjee, Abhishek; Rabie, Usama M.; Abou-El-Wafa, Moustafa H M; Kortz, Ulrich","The antimony(iii)-bridged heteropolyanion sandwich dimers [Sb(III)(3)(A-α-XW(9)O(34))(2)](11-) (X = Si(IV), Ge(IV)) and C-shaped double-sandwich [Sb(III)(6)O(2)(PW(6)O(26))(A-α-PW(9)O(34))(2)](15-).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9914","9921","10.1039/c2dt30355h","","","0.71073","MoKα","","0.0746","0.0499","","","0.1226","0.1354","","","","","","1.034","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019744","9.6069","0.0019","17.796","0.004","10.21","0.002","90","","107.14","0.03","90","","1668","0.7","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","Gemphos","","","- C40 H35 B F4 P2 -","- C40 H35 B F4 P2 -","- C80 H70 B2 F8 P4 -","2","1","","Greb, Lutz; Oña-Burgos, Pascual; Kubas, Adam; Falk, Florian C.; Breher, Frank; Fink, Karin; Paradies, Jan","[2.2]Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9056","9060","10.1039/c2dt30374d","","","0.71073","MoKα","","0.0504","0.0411","","","0.0957","0.099","","","","","","0.966","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019745","9.4616","0.0019","18.149","0.004","10.749","0.002","90","","109.34","0.03","90","","1741.6","0.7","200","","200.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H47 B F4 P2 -","- C40 H47 B F4 P2 -","- C80 H94 B2 F8 P4 -","2","1","","Greb, Lutz; Oña-Burgos, Pascual; Kubas, Adam; Falk, Florian C.; Breher, Frank; Fink, Karin; Paradies, Jan","[2.2]Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9056","9060","10.1039/c2dt30374d","","","0.71073","MoKα","","0.129","0.0836","","","0.2051","0.227","","","","","","0.904","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019746","12.0325","0.0005","15.7928","0.0008","17.362","0.0009","90.233","0.004","92.367","0.004","100.933","0.004","3236.4","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H49 B2 F36 N O -","- C61 H49 B2 F36 N O -","- C122 H98 B4 F72 N2 O2 -","2","1","","Herrington, Thomas J.; Thom, Alex J. W.; White, Andrew J. P.; Ashley, Andrew E.","Novel H(2) activation by a tris[3,5-bis(trifluoromethyl)phenyl]borane frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9019","9022","10.1039/c2dt30384a","","","0.71073","MoKα","","0.138","0.0822","","","0.2189","0.2509","","","","","","1.046","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019747","14.0825","0.0007","15.0808","0.0008","24.4608","0.0017","95.573","0.001","98.313","0.001","117.516","0.001","4478.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H100 Mo36 N20 O171 P12 Sr4 -","- C30 H100 Mo36 N20 O171 P12 Sr4 -","- C30 H100 Mo36 N20 O171 P12 Sr4 -","1","0.5","","Yu, Kai; Zhou, Bai-Bin; Yu, Yang; Su, Zhan-Hua; Wang, Hai-Yan; Wang, Chun-Mei; Wang, Chun-Xiao","Influence of pH and organic ligands on the supramolecular network based on molybdenum phosphate/strontium chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10014","10020","10.1039/c2dt30393k","","","0.71073","MoKα","","0.0809","0.0567","","","0.0955","0.1159","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019748","9.3301","0.0003","38.9991","0.0012","10.4079","0.0003","90","","113.81","0.0004","90","","3464.75","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Mo5 N8 O28 P2 Sr -","- C12 H18 Mo5 N8 O28 P2 Sr -","- C48 H72 Mo20 N32 O112 P8 Sr4 -","4","1","","Yu, Kai; Zhou, Bai-Bin; Yu, Yang; Su, Zhan-Hua; Wang, Hai-Yan; Wang, Chun-Mei; Wang, Chun-Xiao","Influence of pH and organic ligands on the supramolecular network based on molybdenum phosphate/strontium chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10014","10020","10.1039/c2dt30393k","","","0.71073","MoKα","","0.0254","0.0238","","","0.0574","0.058","","","","","","1.029","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019749","11.8647","0.0005","13.5173","0.0006","14.0342","0.0006","106.943","0.001","106.554","0.001","109.143","0.001","1844.96","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H44 Cu2 Mo12 N4 O73 P8 Sr2 -","- C20 H44 Cu2 Mo12 N4 O73 P8 Sr2 -","- C20 H44 Cu2 Mo12 N4 O73 P8 Sr2 -","1","0.5","","Yu, Kai; Zhou, Bai-Bin; Yu, Yang; Su, Zhan-Hua; Wang, Hai-Yan; Wang, Chun-Mei; Wang, Chun-Xiao","Influence of pH and organic ligands on the supramolecular network based on molybdenum phosphate/strontium chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10014","10020","10.1039/c2dt30393k","","","0.71073","MoKα","","0.0258","0.0251","","","0.067","0.0674","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019750","9.5446","0.0019","16.699","0.003","19.874","0.004","77.67","0.03","87.67","0.03","84.46","0.03","3079.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H134 Mn Mo6 N15 O26 -","- C70 H134 Mn Mo6 N15 O26 -","- C70 H134 Mn Mo6 N15 O26 -","1","0.5","","He, Zhenfeng; Yan, Yi; Li, Bao; Ai, Hui; Wang, Huanbing; Li, Haolong; Wu, Lixin","Thermal-induced dynamic self-assembly of adenine-grafted polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10043","10051","10.1039/c2dt30421j","","","0.71073","MoKα","","0.2166","0.1766","","","0.4753","0.5026","","","","","","1.698","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019751","15.9769","0.0003","12.0995","0.0002","18.1623","0.0003","90","","93.481","0.001","90","","3504.52","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 Al F15 O2 P -","- C35 H34 Al F15 O2 P -","- C140 H136 Al4 F60 O8 P4 -","4","1","","Zhang, Yuetao; Miyake, Garret M.; John, Mallory G.; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Lewis pair polymerization by classical and frustrated Lewis pairs: acid, base and monomer scope and polymerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9119","9134","10.1039/c2dt30427a","","","0.71073","MoKα","","0.0765","0.0442","","","0.1205","0.1483","","","","","","1.013","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019752","10.7749","0.0004","12.9668","0.0004","15.2829","0.0005","92.432","0.002","97.632","0.002","111.204","0.002","1963.59","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Al F15 O2 P -","- C35 H35 Al F15 O2 P -","- C70 H70 Al2 F30 O4 P2 -","2","1","","Zhang, Yuetao; Miyake, Garret M.; John, Mallory G.; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Lewis pair polymerization by classical and frustrated Lewis pairs: acid, base and monomer scope and polymerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9119","9134","10.1039/c2dt30427a","","","0.71073","MoKα","","0.0681","0.0488","","","0.1446","0.1545","","","","","","1.115","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019753","15.3482","0.0004","14.1117","0.0004","23.0099","0.0006","90","","108.656","0.004","90","","4721.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 B F10 N2 O2 -","- C24 H19 B F10 N2 O2 -","- C192 H152 B8 F80 N16 O16 -","8","1","","Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9101","9110","10.1039/c2dt30448a","","","0.71073","MoKα","","0.0406","0.0322","","","0.0703","0.074","","","","","","1.011","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019754","10.9606","0.0004","19.1668","0.0006","14.3458","0.0004","90","","102.93","0.004","90","","2937.34","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B F10 N3 O -","- C28 H28 B F10 N3 O -","- C112 H112 B4 F40 N12 O4 -","4","1","","Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9101","9110","10.1039/c2dt30448a","","","0.71073","MoKα","","0.0632","0.0426","","","0.0909","0.0983","","","","","","1.028","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019755","10.1128","0.0002","12.5196","0.0002","20.7678","0.0004","90","","97.885","0.002","90","","2604.51","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 B F10 N3 S -","- C25 H22 B F10 N3 S -","- C100 H88 B4 F40 N12 S4 -","4","1","","Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9101","9110","10.1039/c2dt30448a","","","1.54184","CuKα","","0.0315","0.0289","","","0.0763","0.0784","","","","","","1.037","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019756","9.5902","0.0012","11.3185","0.0016","15.1442","0.0018","85.961","0.01","88.454","0.01","75.367","0.012","1586.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H32 B F10 N3 -","- C31.5 H32 B F10 N3 -","- C63 H64 B2 F20 N6 -","2","1","","Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9101","9110","10.1039/c2dt30448a","","","0.71073","MoKα","","0.0962","0.0506","","","0.0974","0.1187","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019757","9.2377","0.0006","11.5573","0.001","13.2013","0.0012","73.287","0.008","86.45","0.006","83.35","0.006","1340.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H25 B F10 N2 O -","- C24 H21 B F10 N2 O -","- C48 H42 B2 F20 N4 O2 -","2","1","","Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9101","9110","10.1039/c2dt30448a","","","1.54184","CuKα","","0.0354","0.0332","","","0.0909","0.0929","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019758","11.1232","0.0002","13.5996","0.0002","19.3628","0.0002","90","","96.913","0.002","90","","2907.74","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B F10 N3 S -","- C28 H28 B F10 N3 S -","- C112 H112 B4 F40 N12 S4 -","4","1","","Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9101","9110","10.1039/c2dt30448a","","","1.54184","CuKα","","0.0286","0.0283","","","0.0733","0.0735","","","","","","1.048","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019759","11.048","0.0006","13.2011","0.0007","13.2014","0.0007","73.524","0.005","69.985","0.005","78.473","0.005","1723.48","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 B F10 N2 -","- C38 H33 B F10 N2 -","- C76 H66 B2 F20 N4 -","2","1","","Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9101","9110","10.1039/c2dt30448a","","","1.54184","CuKα","","0.0335","0.0326","","","0.0841","0.0849","","","","","","1.038","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019760","11.8154","0.0003","15.1224","0.0005","15.9346","0.0005","90","","97.556","0.003","90","","2822.43","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 B F10 N3 -","- C30 H24 B F10 N3 -","- C120 H96 B4 F40 N12 -","4","1","","Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9101","9110","10.1039/c2dt30448a","","","0.71073","MoKα","","0.0488","0.0371","","","0.0802","0.0854","","","","","","1.034","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019761","23.3058","0.0008","22.0317","0.0007","44.8181","0.0014","90","","90","","90","","23012.6","1.3","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C56 H300 Ce4 Mn8 N20 Na2 O218 Si4 W36 -","- C30 H80 Ce4 Mn8 N7 Na2 O176.5 Si4 W36 -","- C120 H320 Ce16 Mn32 N28 Na8 O706 Si16 W144 -","4","0.5","","Fang, Xikui; McCallum, Kendall; Pratt Iii, Harry D.; Anderson, Travis M.; Dennis, Kevin; Luban, Marshall","A co-crystal of polyoxometalates exhibiting single-molecule magnet behavior: the structural origin of a large magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9867","9870","10.1039/c2dt30451a","","","0.71073","MoKα","","0.0769","0.054","","","0.1369","0.1482","","","","","","1.068","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019762","14.8742","0.001","35.625","0.003","11.9635","0.0009","90","","107.599","0.004","90","","6042.7","0.8","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H57 Cl4 F6 N2 O P5 Pt -","- C64 H57 Cl4 F6 N2 O P5 Pt -","- C256 H228 Cl16 F24 N8 O4 P20 Pt4 -","4","1","","Pan, Baofei; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterolytic addition of E-H bonds across Pt-P bonds in Pt N-heterocyclic phosphenium/phosphido complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9083","9090","10.1039/c2dt30455d","","","0.71073","MoKα","","0.055","0.0418","","0.1067","0.1021","0.1067","","","","","","0.9711","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019763","12.1189","0.0004","13.4744","0.0005","22.8621","0.0009","90","","98.743","0.002","90","","3689.9","0.2","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H32 Cl F6 N2 P4 Pt -","- C38 H32 Cl F6 N2 P4 Pt -","- C152 H128 Cl4 F24 N8 P16 Pt4 -","4","2","","Pan, Baofei; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterolytic addition of E-H bonds across Pt-P bonds in Pt N-heterocyclic phosphenium/phosphido complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9083","9090","10.1039/c2dt30455d","","","0.71073","MoKα","","0.0552","0.0419","","0.0835","0.0794","0.0835","","","","","","0.9786","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019764","25.0443","0.0007","15.9342","0.0005","9.6935","0.0003","90","","110.393","0.001","90","","3625.85","0.19","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 N2 O P3 Pt -","- C38 H32 N2 O P3 Pt -","- C152 H128 N8 O4 P12 Pt4 -","4","0.5","","Pan, Baofei; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterolytic addition of E-H bonds across Pt-P bonds in Pt N-heterocyclic phosphenium/phosphido complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9083","9090","10.1039/c2dt30455d","","","0.71073","MoKα","","0.0348","0.0242","","0.0605","0.055","0.0605","","","","","","0.9968","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019765","16.2752","0.0014","39.606","0.003","25.931","0.002","90","","99.623","0.002","90","","16480","2","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H111 Au7 O43 P8 W12 -","- C126 H100 Au7 O42 P8 W12 -","- C504 H400 Au28 O168 P32 W48 -","4","1","","Yoshida, Takuya; Nomiya, Kenji; Matsunaga, Satoshi","Novel intercluster compound between a heptakis{triphenylphosphinegold(i)}dioxonium cation and an α-Keggin polyoxometalate anion.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10085","10090","10.1039/c2dt30456b","","","0.71073","MoKα","","0.066","0.0496","","","0.1213","0.1279","","","","","","1.049","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019766","16.527","0.007","14.789","0.006","13.593","0.006","90","","90","","90","","3322","2","238","2","238","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H40 Br2 Mg2 N6 O Si2 -","- C22 H40 Br2 Mg2 N6 O Si2 -","- C88 H160 Br8 Mg8 N24 O4 Si8 -","4","0.5","","Duan, Xin-E; Yuan, Shi-Fang; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","Metal (Mg, Fe, Co, Zr and Ti) complexes derived from aminosilyl substituted aminopyridinato ligand: synthesis, structures and ethylene polymerization behaviors of the group 4 complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9460","9467","10.1039/c2dt30463e","","","0.71073","MoKα","","0.1123","0.0537","","","0.1504","0.2206","","","","","","1.021","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019767","15.206","0.006","11.636","0.004","15.911","0.006","90","","93.202","0.005","90","","2810.8","1.8","238","2","238","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl4 N4 O3 Ti2 -","- C22 H32 Cl4 N4 O3 Ti2 -","- C88 H128 Cl16 N16 O12 Ti8 -","4","1","","Duan, Xin-E; Yuan, Shi-Fang; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","Metal (Mg, Fe, Co, Zr and Ti) complexes derived from aminosilyl substituted aminopyridinato ligand: synthesis, structures and ethylene polymerization behaviors of the group 4 complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9460","9467","10.1039/c2dt30463e","","","0.71073","MoKα","","0.0516","0.0378","","","0.0902","0.1009","","","","","","1.027","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019768","11.139","0.003","16.253","0.004","31.206","0.008","90","","98.317","0.006","90","","5590","2","238","2","238","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 Cl4 Li N3 O2 Si Zr -","- C17 H32 Cl4 Li N3 O2 Si Zr -","- C136 H256 Cl32 Li8 N24 O16 Si8 Zr8 -","8","2","","Duan, Xin-E; Yuan, Shi-Fang; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","Metal (Mg, Fe, Co, Zr and Ti) complexes derived from aminosilyl substituted aminopyridinato ligand: synthesis, structures and ethylene polymerization behaviors of the group 4 complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9460","9467","10.1039/c2dt30463e","","","0.71073","MoKα","","0.2175","0.0912","","","0.2584","0.3333","","","","","","0.997","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019769","13.417","0.002","16.024","0.002","14.649","0.002","90","","92.06","0.003","90","","3147.4","0.7","238","2","238","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Cl2 Fe2 N6 O Si2 -","- C22 H40 Cl2 Fe2 N6 O Si2 -","- C88 H160 Cl8 Fe8 N24 O4 Si8 -","4","1","","Duan, Xin-E; Yuan, Shi-Fang; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","Metal (Mg, Fe, Co, Zr and Ti) complexes derived from aminosilyl substituted aminopyridinato ligand: synthesis, structures and ethylene polymerization behaviors of the group 4 complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9460","9467","10.1039/c2dt30463e","","","0.71073","MoKα","","0.0819","0.0604","","","0.1599","0.172","","","","","","1.149","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019770","13.3409","0.0017","15.996","0.002","14.6355","0.0019","90","","92.207","0.002","90","","3120.9","0.7","234","2","234","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Cl2 Co2 N6 O Si2 -","- C22 H40 Cl2 Co2 N6 O Si2 -","- C88 H160 Cl8 Co8 N24 O4 Si8 -","4","1","","Duan, Xin-E; Yuan, Shi-Fang; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","Metal (Mg, Fe, Co, Zr and Ti) complexes derived from aminosilyl substituted aminopyridinato ligand: synthesis, structures and ethylene polymerization behaviors of the group 4 complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9460","9467","10.1039/c2dt30463e","","","0.71073","MoKα","","0.0474","0.0375","","","0.0937","0.1011","","","","","","1.015","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019771","30.813","0.006","32.507","0.007","13.74","0.003","90","","90","","90","","13763","5","143","2","143","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H100 Mo6 N6 O17 -","- C48 H100 Mo6 N6 O17 -","- C384 H800 Mo48 N48 O136 -","8","0.5","","Lv, Chunlin; Zhang, Jin; Hao, Jian; Liu, Lei; Wei, Yongge","Syntheses and structural characterizations of di-substituted alkylimido hexamolybdates: an insight on bi-alkylimido functionalization.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10065","10070","10.1039/c2dt30471f","","","0.71073","MoKα","","0.0825","0.0686","","","0.1419","0.1496","","","","","","1.242","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019772","16.492","0.003","17.087","0.003","22.417","0.005","106.72","0.03","103","0.03","96.29","0.03","5791","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H90 Mo6 N4 O17 -","- C40 H90 Mo6 N4 O17 -","- C160 H360 Mo24 N16 O68 -","4","2","","Lv, Chunlin; Zhang, Jin; Hao, Jian; Liu, Lei; Wei, Yongge","Syntheses and structural characterizations of di-substituted alkylimido hexamolybdates: an insight on bi-alkylimido functionalization.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10065","10070","10.1039/c2dt30471f","","","0.71073","MoKα","","0.0937","0.0553","","","0.1582","0.182","","","","","","1.051","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019773","14.1227","0.0002","14.1227","0.0002","44.7701","0.0013","90","","90","","90","","8929.4","0.3","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C36 H90 Eu2 N12 O58 W12 Zn -","- C24 H56 Eu2 N8 O54 W12 Zn -","- C96 H224 Eu8 N32 O216 W48 Zn4 -","4","0.25","","Zhao, Wen-Feng; Zou, Chao; Shi, Lian-Xu; Yu, Jian-Can; Qian, Guo-Dong; Wu, Chuan-De","Synthesis of diamondoid lanthanide-polyoxometalate solids as tunable photoluminescent materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10091","10096","10.1039/c2dt30481c","","","0.71073","MoKα","","0.0655","0.058","","","0.1534","0.1596","","","","","","1.133","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019774","14.1527","0.0003","14.1527","0.0003","44.8022","0.0013","90","","90","","90","","8973.8","0.4","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C36 H90 La2 N12 O58 W12 Zn -","- C24 H56 La2 N8 O54 W12 Zn -","- C96 H224 La8 N32 O216 W48 Zn4 -","4","0.25","","Zhao, Wen-Feng; Zou, Chao; Shi, Lian-Xu; Yu, Jian-Can; Qian, Guo-Dong; Wu, Chuan-De","Synthesis of diamondoid lanthanide-polyoxometalate solids as tunable photoluminescent materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10091","10096","10.1039/c2dt30481c","","","0.71073","MoKα","","0.0621","0.0522","","","0.1218","0.1312","","","","","","1.171","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019775","13.8766","0.0005","13.8766","0.0005","44.477","0.002","90","","90","","90","","8564.5","0.6","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C36 H90 N12 O58 Tb2 W12 Zn -","- C24 H56 N8 O54 Tb2 W12 Zn -","- C96 H224 N32 O216 Tb8 W48 Zn4 -","4","0.25","","Zhao, Wen-Feng; Zou, Chao; Shi, Lian-Xu; Yu, Jian-Can; Qian, Guo-Dong; Wu, Chuan-De","Synthesis of diamondoid lanthanide-polyoxometalate solids as tunable photoluminescent materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10091","10096","10.1039/c2dt30481c","","","0.71073","MoKα","","0.0969","0.0748","","","0.1791","0.194","","","","","","1.145","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019776","14.143","0.002","12.699","0.002","15.039","0.003","90","","96.866","0.003","90","","2681.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Co3.5 N12 O10.5 S -","- C16 H15 Co3.5 N12 O10.5 S -","- C64 H60 Co14 N48 O42 S4 -","4","1","","Liu, Zhong-Yi; Ding, Bo; Yang, En-Cui; Zhao, Xiao-Jun","A (3, 4, 14)-connected framework with various distorted triangular magnetic lattices exhibiting field-induced metamagnetism, spin competition and spin reorientation.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9611","9614","10.1039/c2dt30496a","","","0.71073","MoKα","","0.0592","0.0353","","","0.0691","0.0758","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019777","30.162","0.005","17.875","0.003","20.715","0.003","90","","90","","90","","11168","3","193","2","193","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C16 H91 Cu F4 Mo12 N8 O78 P4 -","- C16 H26 Cu F4 Mo12 N8 O46 P4 -","- C64 H104 Cu4 F16 Mo48 N32 O184 P16 -","4","0.25","","Fielden, John; Quasdorf, Kyle; Cronin, Leroy; Kögerler, Paul","A fluorophosphate-based inverse Keggin structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9876","9878","10.1039/c2dt30501a","","","0.71073","MoKα","","0.0866","0.0671","","","0.1979","0.2098","","","","","","1.061","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019778","25.477","0.002","12.7495","0.001","28.088","0.002","90","","103.21","0.005","90","","8882.1","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H78 Cl12 N2 P4 Ru2 -","- C90 H78 Cl12 N2 P4 Ru2 -","- C360 H312 Cl48 N8 P16 Ru8 -","4","0.5","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0927","0.053","","","0.1363","0.1546","","","","","","0.945","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019779","10.0277","0.0004","12.3376","0.0005","14.21","0.0005","98.147","0.002","110.24","0.002","110.453","0.002","1474.93","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H62 Cl4 N2 P4 Ru2 -","- C66 H62 Cl4 N2 P4 Ru2 -","- C66 H62 Cl4 N2 P4 Ru2 -","1","0.5","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0365","0.0271","","","0.063","0.0667","","","","","","1.008","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019780","10.6627","0.0005","17.9387","0.0008","28.2348","0.0012","90","","92.259","0.002","90","","5396.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H55 Cl2 N5 P2 Ru -","- C63 H55 Cl2 N5 P2 Ru -","- C252 H220 Cl8 N20 P8 Ru4 -","4","1","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0663","0.045","","","0.1083","0.119","","","","","","1.035","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019781","9.0765","0.0009","46.734","0.005","13.7877","0.0014","90","","108.453","0.006","90","","5547.8","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl2 N3 P Ru -","- C29 H34 Cl2 N3 P Ru -","- C232 H272 Cl16 N24 P8 Ru8 -","8","2","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.1518","0.0661","","","0.101","0.1219","","","","","","1.007","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019782","15.4539","0.0012","18.3795","0.0015","21.2573","0.0016","90","","90","","90","","6037.8","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Cl4 N3 P Ru -","- C30 H34 Cl4 N3 P Ru -","- C240 H272 Cl32 N24 P8 Ru8 -","8","1","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0856","0.0519","","","0.1394","0.1662","","","","","","1.046","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019783","17.1587","0.0007","14.9111","0.0006","20.5139","0.0008","90","","99.453","0.002","90","","5177.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C120 H107 Br3 Cl4 N2 P6 Ru2 -","- C120 H102 Br3 Cl4 N2 P6 Ru2 -","- C240 H204 Br6 Cl8 N4 P12 Ru4 -","2","0.5","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0682","0.0493","","","0.1342","0.147","","","","","","1.052","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019784","11.7266","0.0007","19.7505","0.0014","19.5819","0.0014","90","","107.349","0.003","90","","4329","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 Cl2 N3 P Ru -","- C47 H56 Cl2 N3 P Ru -","- C188 H224 Cl8 N12 P4 Ru4 -","4","1","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0601","0.0367","","","0.0797","0.0878","","","","","","1.028","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019785","12.1208","0.0005","14.9206","0.0006","22.2574","0.0008","90","","90","","90","","4025.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 Cl2 N P2 Ru -","- C49 H40 Cl2 N P2 Ru -","- C196 H160 Cl8 N4 P8 Ru4 -","4","1","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0414","0.0321","","","0.0612","0.064","","","","","","1.025","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019786","19.8631","0.0006","19.8631","0.0006","20.455","0.0005","90","","90","","120","","6989.1","0.3","296","2","296","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C21 H86 Lu3 N3 Na O90.5 Si W12 -","- C21 H9 Lu3 N3 Na O90.5 Si W12 -","- C63 H27 Lu9 N9 Na3 O271.5 Si3 W36 -","3","0.333333","","Li, Suzhi; Zhang, Dongdi; Guo, Yuan Yuan; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang","Keggin polyoxoanion supported organic-inorganic trinuclear lutetium cluster, {Na(H(2)O)(3)[Lu(pydc)(H(2)O)(3)](3)}[SiW(12)O(40)]·26.5H(2)O.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9885","9888","10.1039/c2dt30517h","","","0.71073","MoKα","","0.0565","0.0537","","","0.1376","0.1393","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019787","15.4789","0.0008","15.3507","0.0008","16.4216","0.0009","90","","112.897","0.003","90","","3594.5","0.3","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Ce N9 O9 -","- C33 H34 Ce N9 O9 -","- C132 H136 Ce4 N36 O36 -","4","1","","Lewis, Frank W.; Harwood, Laurence M.; Hudson, Michael J.; Drew, Michael G. B.; Sypula, Michal; Modolo, Giuseppe; Whittaker, Daniel; Sharrad, Clint A.; Videva, Vladimira; Hubscher-Bruder, Véronique; Arnaud-Neu, Françoise","Complexation of lanthanides, actinides and transition metal cations with a 6-(1,2,4-triazin-3-yl)-2,2':6',2''-terpyridine ligand: implications for actinide(iii)/lanthanide(iii) partitioning.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9209","9219","10.1039/c2dt30522d","","","1.54178","CuKα","","0.1029","0.069","","","0.1562","0.1827","","","","","","1.016","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019788","12.8212","0.0003","14.9805","0.0004","18.2654","0.0005","90","","102.155","0.002","90","","3429.55","0.16","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Eu N11 O9 -","- C30 H32 Eu N11 O9 -","- C120 H128 Eu4 N44 O36 -","4","1","","Lewis, Frank W.; Harwood, Laurence M.; Hudson, Michael J.; Drew, Michael G. B.; Sypula, Michal; Modolo, Giuseppe; Whittaker, Daniel; Sharrad, Clint A.; Videva, Vladimira; Hubscher-Bruder, Véronique; Arnaud-Neu, Françoise","Complexation of lanthanides, actinides and transition metal cations with a 6-(1,2,4-triazin-3-yl)-2,2':6',2''-terpyridine ligand: implications for actinide(iii)/lanthanide(iii) partitioning.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9209","9219","10.1039/c2dt30522d","","","1.54178","CuKα","","0.0547","0.0458","","","0.1343","0.1417","","","","","","1.037","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019789","8.5515","0.0011","8.574","0.0011","16.214","0.002","81.677","0.011","85.06","0.011","66.015","0.012","1074.2","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H26 N6 -","- C26 H26 N6 -","- C52 H52 N12 -","2","1","","Lewis, Frank W.; Harwood, Laurence M.; Hudson, Michael J.; Drew, Michael G. B.; Sypula, Michal; Modolo, Giuseppe; Whittaker, Daniel; Sharrad, Clint A.; Videva, Vladimira; Hubscher-Bruder, Véronique; Arnaud-Neu, Françoise","Complexation of lanthanides, actinides and transition metal cations with a 6-(1,2,4-triazin-3-yl)-2,2':6',2''-terpyridine ligand: implications for actinide(iii)/lanthanide(iii) partitioning.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9209","9219","10.1039/c2dt30522d","","","0.71073","MoKα","","0.13","0.0539","","","0.1063","0.1185","","","","","","0.802","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019790","11.1976","0.0008","11.547","0.0008","13.3767","0.001","113.486","0.001","99.15","0.001","94.808","0.001","1545.29","0.19","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 N16 O20 U3 -","- C54 H60 N16 O20 U3 -","- C54 H60 N16 O20 U3 -","1","0.5","","Lewis, Frank W.; Harwood, Laurence M.; Hudson, Michael J.; Drew, Michael G. B.; Sypula, Michal; Modolo, Giuseppe; Whittaker, Daniel; Sharrad, Clint A.; Videva, Vladimira; Hubscher-Bruder, Véronique; Arnaud-Neu, Françoise","Complexation of lanthanides, actinides and transition metal cations with a 6-(1,2,4-triazin-3-yl)-2,2':6',2''-terpyridine ligand: implications for actinide(iii)/lanthanide(iii) partitioning.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9209","9219","10.1039/c2dt30522d","","","0.71073","MoKα","","0.0501","0.0406","","","0.0863","0.0903","","","","","","1.069","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019791","21.5609","0.0014","21.5609","0.0014","11.3677","0.0007","90","","90","","90","","5284.5","0.6","200","2","200","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C20 H110 Mo8 N8 O79 P8 Rb8 S8 -","- C20 H32 Mo8 N8 O79 P8 Rb8 S8 -","- C40 H64 Mo16 N16 O158 P16 Rb16 S16 -","2","0.25","","El Moll, Hani; Kemmegne-Mbouguen, Justin Claude; Haouas, Mohamed; Taulelle, Francis; Marrot, Jérôme; Cadot, Emmanuel; Mialane, Pierre; Floquet, Sébastien; Dolbecq, Anne","Syntheses, characterizations and properties of [Mo(2)O(2)S(2)]-based oxothiomolybdenum wheels incorporating bisphosphonate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9955","9963","10.1039/c2dt30534h","","","0.71073","MoKα","","0.0444","0.0409","","","0.0911","0.0929","","","","","","1.266","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019792","21.224","0.0008","29.9068","0.0011","8.7428","0.0004","90","","90","","90","","5549.4","0.4","296","2","296","2","","","","","","","","9","P m m n :2","-P 2ab 2a","59","","","","- C16 H104 K3 Mo8 N4 O66 P8 Rb5 S8 -","- C16 H36 K3 Mo8 N4 O59 P8 Rb4.5 S8 -","- C32 H72 K6 Mo16 N8 O118 P16 Rb9 S16 -","2","0.25","","El Moll, Hani; Kemmegne-Mbouguen, Justin Claude; Haouas, Mohamed; Taulelle, Francis; Marrot, Jérôme; Cadot, Emmanuel; Mialane, Pierre; Floquet, Sébastien; Dolbecq, Anne","Syntheses, characterizations and properties of [Mo(2)O(2)S(2)]-based oxothiomolybdenum wheels incorporating bisphosphonate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9955","9963","10.1039/c2dt30534h","","","0.71073","MoKα","","0.119","0.0959","","","0.2488","0.2713","","","","","","1.068","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019793","15.07","0.004","13.208","0.004","17.862","0.005","90","","97.089","0.008","90","","3528.2","1.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H82 B2 Cl2 F20 P2 -","- C73 H82 B2 Cl2 F20 P2 -","- C146 H164 B4 Cl4 F40 P4 -","2","1","","Ghattas, Ghazi; Chen, Dianjun; Pan, Fangfang; Klankermayer, Jürgen","Asymmetric hydrogenation of imines with a recyclable chiral frustrated Lewis pair catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9026","9028","10.1039/c2dt30536d","","","0.71073","MoKα","","0.1082","0.0699","","","0.1485","0.1736","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019794","21.899","0.005","20.306","0.005","22.9","0.005","90","","90","","90","","10183","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C64 H120 Mo12 N3 O48.5 P Zn4 -","- C48 H60 Mo12 N2 O48.5 P Zn4 -","- C192 H240 Mo48 N8 O194 P4 Zn16 -","4","1","","Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne","ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9989","9999","10.1039/c2dt30537b","","","0.71073","MoKα","","0.0763","0.0578","","","0.1771","0.2293","","","","","","0.904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019795","17.563","0.0015","30.229","0.002","31.886","0.003","90","","90","","90","","16929","2","293","2","293","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C45 H45 Mo12 N3 O46 P Zn4 -","- C9 H3 Mo12 O46 P Zn4 -","- C72 H24 Mo96 O368 P8 Zn32 -","8","1","","Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne","ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9989","9999","10.1039/c2dt30537b","","","0.71073","MoKα","","0.0867","0.0414","","","0.1303","0.1408","","","","","","0.961","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019796","15.27","0.003","15.27","0.003","18.496","0.004","90","","90","","90","","4312.8","1.5","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C44 H78 Mo12 N9 O52 P Zn4 -","- C28 H24 Mo12 N8 O41 P Zn4 -","- C56 H48 Mo24 N16 O82 P2 Zn8 -","2","0.25","","Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne","ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9989","9999","10.1039/c2dt30537b","","","0.71073","MoKα","","0.0969","0.0615","","","0.1474","0.1568","","","","","","0.957","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019797","13.475","0.007","17.497","0.009","28.988","0.015","90","","96.516","0.011","90","","6790","6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H93 Mo24 N25 O83 P3 Zn8 -","- C60 H55 Mo24 N24 O83 P3 Zn8 -","- C120 H110 Mo48 N48 O166 P6 Zn16 -","2","0.5","","Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne","ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9989","9999","10.1039/c2dt30537b","","","0.71073","MoKα","","0.0829","0.0586","","","0.1543","0.1657","","","","","","1.119","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019798","37.778","0.014","14.42","0.005","21.471","0.007","90","","100.945","0.019","90","","11484","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H144 N44 O46 V4 -","- C80 H141.5 N43 O46 V4 -","- C320 H566 N172 O184 V16 -","4","0.5","","Han, Li-Wei; Lin, Jing-Xiang; Lü, Jian; Cao, Rong","New types of hybrid solids of tetravanadate polyanions and cucurbituril.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10080","10084","10.1039/c2dt30559c","","","0.71073","MoKα","","0.093","0.0742","","","0.2118","0.227","","","","","","1.117","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019799","24.277","0.002","29.3537","0.0015","20.5347","0.0018","90","","121.609","0.004","90","","12462.5","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H154 Li4 N40 O59 V4 -","- C80 H100 Li4 N40 O55 V4 -","- C320 H400 Li16 N160 O220 V16 -","4","0.5","","Han, Li-Wei; Lin, Jing-Xiang; Lü, Jian; Cao, Rong","New types of hybrid solids of tetravanadate polyanions and cucurbituril.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10080","10084","10.1039/c2dt30559c","","","0.71073","MoKα","","0.1024","0.0986","","","0.2862","0.2916","","","","","","1.156","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7019800","14.945","0.003","18.956","0.003","19.344","0.004","90","","108.933","0.011","90","","5183.6","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H94 N40 Na4 O49 V4 -","- C60 H60 N40 Na4 O48 V4 -","- C120 H120 N80 Na8 O96 V8 -","2","0.5","","Han, Li-Wei; Lin, Jing-Xiang; Lü, Jian; Cao, Rong","New types of hybrid solids of tetravanadate polyanions and cucurbituril.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10080","10084","10.1039/c2dt30559c","","","0.71073","MoKα","","0.2039","0.1563","","","0.3542","0.3888","","","","","","1.921","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7019801","43.6051","0.0006","43.6051","0.0006","19.3474","0.0005","90","","90","","90","","36787.2","1.2","295","2","295","2","","","","","","","","9","P 42/n :2","-P 4bc","86","","","","- C462 H464 Cl61 Fe10 N65 O218 Pr20 S12 Sb60 -","- C462 H312 Cl61 Fe10 N65 O142 Pr20 S12 Sb60 -","- C924 H624 Cl122 Fe20 N130 O284 Pr40 S24 Sb120 -","2","0.25","","Hu, Bing; Zou, Guo-Dong; Feng, Mei-Ling; Huang, Xiao-Ying","Inorganic-organic hybrid compounds based on novel lanthanide-antimony oxohalide nanoclusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9879","9881","10.1039/c2dt30563a","","","0.71073","MoKα","","0.1607","0.0754","","","0.1556","0.1973","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019802","29.0009","0.0004","23.0305","0.0003","29.8285","0.0004","90","","90","","90","","19922.6","0.5","295","2","295","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C62 H59 Cl14 Fe N9 O25 Pr4 Sb12 -","- C62 H59 Cl14 Fe N9 O25 Pr4 Sb12 -","- C496 H472 Cl112 Fe8 N72 O200 Pr32 Sb96 -","8","1","","Hu, Bing; Zou, Guo-Dong; Feng, Mei-Ling; Huang, Xiao-Ying","Inorganic-organic hybrid compounds based on novel lanthanide-antimony oxohalide nanoclusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9879","9881","10.1039/c2dt30563a","","","0.71073","MoKα","","0.0751","0.0474","","","0.1371","0.1615","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019803","45.304","0.001","42.94","0.001","32.331","0.001","90","","133.468","0.001","90","","45647","2","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C60 H674 Mo132 O724 Sr21 -","- C60 Mo132 O724 Sr21.004 -","- C120 Mo264 O1448 Sr42.008 -","2","0.25","","Saito, Masaki; Ozeki, Tomoji","Crystallization of a Keplerate-type polyoxometalate into a superposed kagome-lattice with huge channels.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9846","9848","10.1039/c2dt30582h","","","0.71073","MoKα","","0.102","0.0724","","","0.2286","0.258","","","","","","1.049","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019804","61.53","0.001","61.53","0.001","63.896","0.001","90","","90","","120","","209497","6","123","2","123","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C60 H552.5 Mo132 N5 O653.25 Sr18.5 -","- C60 Mo132 O658.261 Sr18.514 -","- C360 Mo792 O3949.56 Sr111.084 -","6","0.25","","Saito, Masaki; Ozeki, Tomoji","Crystallization of a Keplerate-type polyoxometalate into a superposed kagome-lattice with huge channels.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9846","9848","10.1039/c2dt30582h","","","0.689","synchrotron","","0.1502","0.0932","","","0.2676","0.331","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019805","6.618","0.003","8.378","0.004","9.974","0.005","90","","99.789","0.006","90","","545","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- B5 K2 O12 Sr V -","- B5 K2 O12 Sr V -","- B10 K4 O24 Sr2 V2 -","2","1","","Chen, Songjie; Pan, Shilie; Zhao, Wenwu; Yu, Hongwei; Wu, Hongping; Yang, Zhihua; Yang, Yun","A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K(2)SrVB(5)O(12).","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9202","9208","10.1039/c2dt30608e","","","0.71073","MoKα","","0.0616","0.0442","","","0.0807","0.0877","","","","","","0.889","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019806","15.4501","0.0002","19.6621","0.0004","28.1389","0.0005","70.288","0.002","89.395","0.002","67.7","0.002","7377.3","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H352 Mn2 N15 Na O112 P4 W30 -","- C133.4 H277.8 Mn2 N14.6 Na0.6 O112 P4 W30 -","- C133.4 H277.8 Mn2 N14.6 Na0.6 O112 P4 W30 -","1","0.5","","Gabb, David; Pradeep, Chullikkattil P.; Miras, Haralampos N.; Mitchell, Scott G.; Long, De-Liang; Cronin, Leroy","Organic-soluble lacunary {M(2)(P(2)W(15))(2)} polyoxometalate sandwiches showing a previously unseen αββα isomerism.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10000","10005","10.1039/c2dt30616f","","","0.71073","MoKα","","0.0421","0.0349","","","0.1029","0.1075","","","","","","1.081","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019807","29.5229","0.0005","29.3096","0.0004","30.8213","0.0005","90","","100.074","0.002","90","","26258.6","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H309 Co2 N11 O112 P4 W30 -","- C41.2 Co2 N6 O111.2 P4 W30 -","- C164.8 Co8 N24 O444.8 P16 W120 -","4","0.5","","Gabb, David; Pradeep, Chullikkattil P.; Miras, Haralampos N.; Mitchell, Scott G.; Long, De-Liang; Cronin, Leroy","Organic-soluble lacunary {M(2)(P(2)W(15))(2)} polyoxometalate sandwiches showing a previously unseen αββα isomerism.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10000","10005","10.1039/c2dt30616f","","","1.54184","CuKα","","0.0886","0.0807","","","0.2014","0.2114","","","","","","1.022","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019808","45.279","0.0009","21.0927","0.0007","31.0661","0.0011","90","","97.19","0.006","90","","29436.6","1.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C146 H338 N10 Ni2 O112 P4 W30 -","- C64 N5.8 Ni2 O112 P4 W30 -","- C256 N23.2 Ni8 O448 P16 W120 -","4","0.5","","Gabb, David; Pradeep, Chullikkattil P.; Miras, Haralampos N.; Mitchell, Scott G.; Long, De-Liang; Cronin, Leroy","Organic-soluble lacunary {M(2)(P(2)W(15))(2)} polyoxometalate sandwiches showing a previously unseen αββα isomerism.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10000","10005","10.1039/c2dt30616f","","","0.71073","MoKα","","0.1807","0.0783","","","0.1977","0.2286","","","","","","0.895","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019809","47.3357","0.0016","17.9304","0.0006","38.5281","0.0011","90","","114.472","0.002","90","","29762.9","1.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C132 H303 Fe2 N10 Na O112 P4 W30 -","- C77.5 Fe2 N6.2 O112 P4 W30 -","- C310 Fe8 N24.8 O448 P16 W120 -","4","0.5","","Gabb, David; Pradeep, Chullikkattil P.; Miras, Haralampos N.; Mitchell, Scott G.; Long, De-Liang; Cronin, Leroy","Organic-soluble lacunary {M(2)(P(2)W(15))(2)} polyoxometalate sandwiches showing a previously unseen αββα isomerism.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10000","10005","10.1039/c2dt30616f","","","1.54184","CuKα","","0.1368","0.1065","","","0.3115","0.3387","","","","","","1.126","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019810","35.5081","0.0016","15.7651","0.0006","48.504","0.003","90","","90.826","0.005","90","","27149","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C150 H345 Cu4 N12 Na O115 P4 W30 -","- C109.8 H218 Cu4 N9.4 Na O115 P4 W30 -","- C439.2 H872 Cu16 N37.6 Na4 O460 P16 W120 -","4","0.5","","Gabb, David; Pradeep, Chullikkattil P.; Miras, Haralampos N.; Mitchell, Scott G.; Long, De-Liang; Cronin, Leroy","Organic-soluble lacunary {M(2)(P(2)W(15))(2)} polyoxometalate sandwiches showing a previously unseen αββα isomerism.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10000","10005","10.1039/c2dt30616f","","","1.54184","CuKα","","0.1503","0.0928","","","0.2491","0.2896","","","","","","0.993","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019811","27.2287","0.0004","42.8083","0.0005","34.1399","0.0004","90","","102.066","0.001","90","","38914.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H150 Mn N6 O34 V12 -","- C61.8375 H135.5 Mn N5.5 O34 V12 -","- C989.4 H2168 Mn16 N88 O544 V192 -","16","4","","Li, Fengyan; Long, De-Liang; Cameron, Jamie M.; Miras, Haralampos N.; Pradeep, Chullikkattil P.; Xu, Lin; Cronin, Leroy","Cation induced structural transformation and mass spectrometric observation of the missing dodecavanadomanganate(iv).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9859","9862","10.1039/c2dt30627a","","","0.71073","MoKα","","0.1983","0.0806","","","0.1997","0.2353","","","","","","0.872","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019812","15.2147","0.0015","17.6284","0.0018","17.8255","0.0016","112.366","0.003","113.184","0.002","90.041","0.003","4000.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H112 N8 O8 Zn3 -","- C80 H112 N8 O8 Zn3 -","- C160 H224 N16 O16 Zn6 -","2","1","","Escárcega-Bobadilla, Martha V; Anselmo, Daniele; Wezenberg, Sander J.; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Kleij, Arjan W.","Metal-directed assembly of chiral bis-Zn(ii) Schiff base structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9766","9772","10.1039/c2dt30642e","","","0.71073","MoKα","","0.1338","0.0723","","","0.1959","0.2403","","","","","","1.045","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019813","26.743","0.002","17.5255","0.0015","24.944","0.002","90","","104.816","0.003","90","","11302.2","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117.5 H99 Cl16 N8 O12 Zn6 -","- C117.5 H99 Cl16 N8 O12 Zn6 -","- C470 H396 Cl64 N32 O48 Zn24 -","4","0.5","","Escárcega-Bobadilla, Martha V; Anselmo, Daniele; Wezenberg, Sander J.; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Kleij, Arjan W.","Metal-directed assembly of chiral bis-Zn(ii) Schiff base structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9766","9772","10.1039/c2dt30642e","","","0.71073","MoKα","","0.072","0.0533","","","0.1423","0.1578","","","","","","1.037","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019814","24.2748","0.0016","25.4804","0.0017","34.443","0.002","110.398","0.001","95.064","0.001","96.808","0.001","19634","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H434 Cu11 K6 N44 Na2 Nb48 O264 -","- C44 H168 Cu11 K6 N44 Nb48 O185 -","- C88 H336 Cu22 K12 N88 Nb96 O370 -","2","1","","Wang, Zhen-Li; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","A copper(ii)-ethylenediamine modified polyoxoniobate with photocatalytic H(2) evolution activity under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9882","9884","10.1039/c2dt30663h","","","0.71073","MoKα","","0.0768","0.05","","","0.1272","0.1351","","","","","","1.076","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019815","22.28","0.003","22.28","0.003","22.28","0.003","90","","90","","90","","11060","3","120","2","120","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H30 Fe2 N12 Na O12 -","- C36 H30 Fe2 N12 Na O12 -","- C288 H240 Fe16 N96 Na8 O96 -","8","0.166667","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Boyko, Aleksander N.; Haukka, Matti; Fritsky, Igor O.","Encapsulation of a guest sodium cation by iron(iii) tris-(hydroxamate)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9427","9430","10.1039/c2dt30669g","","","0.71073","MoKα","","0.0965","0.0771","","","0.2107","0.2208","","","","","","1.159","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019816","22.9002","0.0016","15.973","0.001","25.9698","0.0018","90","","105.199","0.002","90","","9167.1","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H274 K20 N26 O32 Sm4 -","- C111 H202 K20 N26 O32 Sm4 -","- C222 H404 K40 N52 O64 Sm8 -","2","0.5","","Sheng, Hongting; Shi, Jianhua; Feng, Yan; Wang, Hui; Jiao, Yonghua; Sheng, Hanjing; Zhang, Yong; Shen, Qi","Remarkable effect of alkali metal on polymerization of cyclic esters catalyzed by samarium-alkali metal multinuclear alkoxide clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9232","9240","10.1039/c2dt30677h","","","0.7107","MoKα","","0.0704","0.0569","","","0.1189","0.1261","","","","","","1.125","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019817","15.5904","0.0015","19.1307","0.0019","22.611","0.002","90","","90.31","0.002","90","","6743.8","1.1","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H200 K12 N18 Na4 O22 Sm2 -","- C86 H128 K12 N18 Na4 O22 Sm2 -","- C172 H256 K24 N36 Na8 O44 Sm4 -","2","0.5","","Sheng, Hongting; Shi, Jianhua; Feng, Yan; Wang, Hui; Jiao, Yonghua; Sheng, Hanjing; Zhang, Yong; Shen, Qi","Remarkable effect of alkali metal on polymerization of cyclic esters catalyzed by samarium-alkali metal multinuclear alkoxide clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9232","9240","10.1039/c2dt30677h","","","0.7107","MoKα","","0.0731","0.0575","","","0.1249","0.1338","","","","","","1.115","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019818","13.0616","0.0009","8.8579","0.0006","6.9023","0.0005","90","","90.859","0.007","90","","798.49","0.1","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Nitriminotetrazole 2-amino-5H-tetrazole","5-Nitriminotetrazole 2-amino-5H-tetrazole","","- C2 H5 N11 O2 -","- C2 H5 N11 O2 -","- C8 H20 N44 O8 -","4","1","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.0496","0.0302","","","0.0625","0.0656","","","","","","0.898","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019819","9.9097","0.0005","7.7761","0.0004","11.7846","0.0006","90","","96.124","0.005","90","","902.93","0.08","173","2","173","","","","","","","","1-Trinitroethylamino-tetrazole","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N8 O6 -","- C3 H4 N8 O6 -","- C12 H16 N32 O24 -","4","1","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.051","0.0348","","","0.0819","0.0862","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019820","9.855","0.006","8.082","0.004","6.059","0.004","90","","90","","90","","482.6","0.5","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","2-amino-5-nitrotetrazole","2-amino-5-nitrotetrazole","","- C H2 N6 O2 -","- C H2 N6 O2 -","- C4 H8 N24 O8 -","4","1","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.0699","0.0447","","","0.0861","0.0984","","","","","","1.002","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019821","8.3125","0.0007","11.4102","0.0008","13.5629","0.0016","78.074","0.008","77.335","0.008","89.873","0.006","1226.8","0.2","173","2","173","","","","","","","","","4","P 1","P 1","1","1-amino-3,5-dinitro-1,2,4-triazole","1-amino-3,5-dinitro-1,2,4-triazole","","- C2 H2 N6 O4 -","- C2 H2 N6 O4 -","- C16 H16 N48 O32 -","8","8","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.0442","0.0344","","","0.0709","0.0769","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019822","6.2087","0.0006","9.9845","0.001","10.6782","0.0014","90.106","0.009","90.874","0.009","106.336","0.009","635.14","0.12","173","2","173","","","","","","","","","3","P -1","-P 1","2","5,5-bis(1-aminotetrazole)","5,5-bis(1-aminotetrazole)","","- C2 H4 N10 -","- C2 H4 N10 -","- C8 H16 N40 -","4","2","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.0719","0.0539","","","0.126","0.137","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019823","10.2063","0.0003","6.2946","0.0002","19.7287","0.0006","90","","90","","90","","1267.46","0.07","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,5-bis(1,2-aminotetrazole","5,5-bis(1,2-aminotetrazole","","- C2 H4 N10 -","- C2 H4 N10 -","- C16 H32 N80 -","8","1","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.0363","0.0291","","","0.077","0.0813","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019824","37.59","0.001","19.892","0.001","29.9544","0.0007","90","","90","","90","","22398.1","1.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C304 H162 Mg4 N44 O2 -","- C304 H162 Mg4 N44 O2 -","- C1216 H648 Mg16 N176 O8 -","4","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Formation of μ(2)-hydroxo-bonded (MgPc)(2)OH(-) assemblies and (C(60)(-))(2) dimers in ionic fullerene {(MgPc)(2)OH(-)}(2)·(C(60)(-))(2)·(cation(+))(4) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9170","9175","10.1039/c2dt30701d","","","0.71073","MoKα","","0.0845","0.0607","","","0.1577","0.1686","","","","","","1.012","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019825","30.0392","0.001","37.2899","0.0015","20.0992","0.0006","90","","90.219","0.003","90","","22514.1","1.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C312 H159 Cl5 Mg4 N43 O2 -","- C312 H159 Cl5 Mg4 N43 O2 -","- C1248 H636 Cl20 Mg16 N172 O8 -","4","1","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Formation of μ(2)-hydroxo-bonded (MgPc)(2)OH(-) assemblies and (C(60)(-))(2) dimers in ionic fullerene {(MgPc)(2)OH(-)}(2)·(C(60)(-))(2)·(cation(+))(4) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9170","9175","10.1039/c2dt30701d","","","0.71073","MoKα","","0.1046","0.0668","","","0.1675","0.1863","","","","","","1.018","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019826","16.4432","0.001","8.311","0.0005","20.0443","0.0012","90","","111.676","0.003","90","","2545.5","0.3","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24.25 Cl1.75 N5 O10 P2 Pt2 S0.25 -","- C6 H24.25 Cl1.75 N5 O10 P2 Pt2 S0.25 -","- C24 H97 Cl7 N20 O40 P8 Pt8 S -","4","1","","Piccinonna, Sara; Margiotta, Nicola; Pacifico, Concetta; Lopalco, Antonio; Denora, Nunzio; Fedi, Serena; Corsini, Maddalena; Natile, Giovanni","Dinuclear Pt(ii)-bisphosphonate complexes: a scaffold for multinuclear or different oxidation state platinum drugs.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9689","9699","10.1039/c2dt30712j","","","0.71073","MoKα","","0.0453","0.0339","","","0.0952","0.0987","","","","","","1.004","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019827","8.7308","0.0005","12.8695","0.0008","7.3121","0.0003","90","","113.945","0.003","90","","750.88","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N -","- C9 H9 N -","- C36 H36 N4 -","4","1","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular Lewis acid-base pairs based on 4-ethynyl-2,6-lutidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9143","9150","10.1039/c2dt30719g","","","0.71073","MoKα","","0.0677","0.053","","","0.1499","0.1595","","","","","","1.098","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019828","7.933","0.0005","8.1336","0.0005","12.4228","0.0008","72.661","0.004","84.982","0.003","83.054","0.004","758.41","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Al N O -","- C15 H22 Al N O -","- C30 H44 Al2 N2 O2 -","2","1","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular Lewis acid-base pairs based on 4-ethynyl-2,6-lutidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9143","9150","10.1039/c2dt30719g","","","0.71073","MoKα","","0.0542","0.0411","","","0.1034","0.1103","","","","","","1.042","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019829","24.6455","0.001","15.594","0.0007","17.8708","0.0008","90","","119.238","0.002","90","","5993.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 Ga N -","- C16 H21 Ga N -","- C256 H336 Ga16 N16 -","16","2","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular Lewis acid-base pairs based on 4-ethynyl-2,6-lutidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9143","9150","10.1039/c2dt30719g","","","0.71073","MoKα","","0.0888","0.0433","","","0.0853","0.0995","","","","","","1.01","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019830","8.6698","0.0002","9.1564","0.0002","25.209","0.0007","90","","93.3099","0.0013","90","","1997.86","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 In N O2 -","- C19 H30 In N O2 -","- C76 H120 In4 N4 O8 -","4","1","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular Lewis acid-base pairs based on 4-ethynyl-2,6-lutidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9143","9150","10.1039/c2dt30719g","","","0.71073","MoKα","","0.0393","0.0273","","","0.0634","0.0683","","","","","","1.044","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019831","16.387","0.003","9.24","0.003","20.012","0.004","90","","127.586","0.016","90","","2401.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 K O3 Sr -","- C21 H39 K O3 Sr -","- C84 H156 K4 O12 Sr4 -","4","1","","Jochmann, Phillip; Davin, Julien P.; Maslek, Stefanie; Spaniol, Thomas P.; Sarazin, Yann; Carpentier, Jean-Francois; Okuda, Jun","Allyl strontium compounds: synthesis, molecular structure and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9176","9181","10.1039/c2dt30743j","","","0.71073","MoKα","","0.0977","0.062","","","0.1287","0.1364","","","","","","0.954","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019832","12.283","0.004","12.875","0.004","16.823","0.006","90.404","0.005","93.805","0.005","110.259","0.005","2489.1","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H80 N4 O3 Si8 Sr2 -","- C28 H80 N4 O3 Si8 Sr2 -","- C56 H160 N8 O6 Si16 Sr4 -","2","1","","Jochmann, Phillip; Davin, Julien P.; Maslek, Stefanie; Spaniol, Thomas P.; Sarazin, Yann; Carpentier, Jean-Francois; Okuda, Jun","Allyl strontium compounds: synthesis, molecular structure and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9176","9181","10.1039/c2dt30743j","","","0.71073","MoKα","","0.1122","0.0619","","","0.144","0.1657","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019833","18.3323","0.0016","9.2808","0.0008","25.476","0.002","90","","90","","90","","4334.4","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Cl2 Cu N5 S -","- C21 H19 Cl2 Cu N5 S -","- C168 H152 Cl16 Cu8 N40 S8 -","8","1","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.0504","0.0372","","","0.0883","0.0959","","","","","","1.049","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019834","18.583","0.002","9.5012","0.0011","25.292","0.003","90","","90","","90","","4465.6","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl2 Cu N5 -","- C23 H21 Cl2 Cu N5 -","- C184 H168 Cl16 Cu8 N40 -","8","1","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.0491","0.0371","","","0.091","0.0976","","","","","","1.051","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019835","11.3107","0.0015","11.6824","0.0016","13.0796","0.0017","66.608","0.002","70.8","0.002","71.327","0.002","1461.7","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H31 Cl2 Cu N5 O4 S -","- C28 H31 Cl2 Cu N5 O4 S -","- C56 H62 Cl4 Cu2 N10 O8 S2 -","2","1","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.0473","0.0372","","","0.0931","0.099","","","","","","1.018","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019836","12.9077","0.0015","13.4737","0.0015","14.0582","0.0016","73.803","0.002","66.247","0.002","66.342","0.002","2029.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cl Cu N8 O8 S -","- C37 H44 Cl Cu N8 O8 S -","- C74 H88 Cl2 Cu2 N16 O16 S2 -","2","1","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.0423","0.0368","","","0.0972","0.1011","","","","","","1.045","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019837","17.106","0.003","14.758","0.002","25.087","0.004","90","","90","","90","","6333.2","1.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Cu F6 N7 P -","- C29 H31 Cu F6 N7 P -","- C232 H248 Cu8 F48 N56 P8 -","8","1","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.1369","0.0625","","","0.1596","0.2024","","","","","","1.012","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019838","11.355","0.002","11.7958","0.0016","12.583","0.002","67.661","0.002","63.781","0.002","87.36","0.002","1383.3","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H62 Cl2 Cu2 N10 O8 S2 -","- C56 H62 Cl2 Cu2 N10 O8 S2 -","- C56 H62 Cl2 Cu2 N10 O8 S2 -","1","0.5","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.0535","0.041","","","0.0897","0.0953","","","","","","1.028","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019839","11.077","0.0008","28.4311","0.0019","29.5256","0.0017","90","","110.629","0.002","90","","8702.3","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H114 Co4 Gd N6 O40 -","- C75 H100 Co4 Gd N6 O40 -","- C300 H400 Co16 Gd4 N24 O160 -","4","1","","Ke, Hongshan; Zhao, Lang; Guo, Yang; Tang, Jinkui","Polydentate-ligand-supported self-assembly of heterometallic T-shaped Co(4)RE (RE = Gd, Tb, Y) clusters: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9760","9765","10.1039/c2dt30761h","","","0.71073","MoKα","","0.0607","0.0432","","","0.1074","0.1191","","","","","","1.05","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019840","11.0993","0.0005","28.4053","0.0013","29.6185","0.0011","90","","110.597","0.002","90","","8741.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H115 Co4 N6 O41.5 Tb -","- C74 H96 Co4 N6 O41.5 Tb -","- C296 H384 Co16 N24 O166 Tb4 -","4","1","","Ke, Hongshan; Zhao, Lang; Guo, Yang; Tang, Jinkui","Polydentate-ligand-supported self-assembly of heterometallic T-shaped Co(4)RE (RE = Gd, Tb, Y) clusters: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9760","9765","10.1039/c2dt30761h","","","0.71073","MoKα","","0.057","0.0408","","","0.1074","0.1181","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019841","11.0857","0.0008","28.3353","0.0018","29.578","0.0018","90","","110.536","0.002","90","","8700.5","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H115 Co4 N6 O41.5 Y -","- C74 H96 Co4 N6 O41.5 Y -","- C296 H384 Co16 N24 O166 Y4 -","4","1","","Ke, Hongshan; Zhao, Lang; Guo, Yang; Tang, Jinkui","Polydentate-ligand-supported self-assembly of heterometallic T-shaped Co(4)RE (RE = Gd, Tb, Y) clusters: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9760","9765","10.1039/c2dt30761h","","","0.71073","MoKα","","0.0995","0.0598","","","0.1492","0.1719","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019842","10.2282","0.0008","20.2161","0.0015","21.3805","0.0016","90","","90","","90","","4420.9","0.6","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H62 La N3 O2 Si2 -","- C44 H62 La N3 O2 Si2 -","- C176 H248 La4 N12 O8 Si8 -","4","1","","Sun, Yilin; Wu, Guangming; Cen, Dinghai; Chen, Yaofeng; Wang, Limin","Synthesis and catalytic activity of heterogeneous rare-earth metal catalysts coordinated with multitopic Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9682","9688","10.1039/c2dt30763d","","","0.71073","MoKα","","0.028","0.025","","","0.0617","0.0637","","","","","","1.039","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019843","32.2085","0.0004","12.2682","0.0001","9.683","0.0001","90","","90","","90","","3826.14","0.07","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H36 Cl F2 Ir N P2 -","- C47 H36 Cl F2 Ir N P2 -","- C188 H144 Cl4 F8 Ir4 N4 P8 -","4","1","","Alam, Parvej; Karanam, Maheswararao; Roy Choudhury, Angshuman; Rahaman Laskar, Inamur","One-pot synthesis of strong solid state emitting mono-cyclometalated iridium(iii) complexes: study of their aggregation induced enhanced phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9276","9279","10.1039/c2dt30771e","","","0.71073","MoKα","","0.0233","0.0223","","","0.0617","0.0622","","","","","","1.062","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019844","26.984","0.003","7.4491","0.0007","21.522","0.002","90","","106.458","0.002","90","","4148.8","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N2 O2 Sn2 -","- C18 H26 N2 O2 Sn2 -","- C144 H208 N16 O16 Sn16 -","8","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.04","0.0332","","","0.0689","0.0716","","","","","","1.15","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019845","8.1411","0.0012","9.4382","0.0014","11.1451","0.0017","85.095","0.002","82.534","0.002","88.505","0.002","845.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N2 O Sn -","- C16 H22 N2 O Sn -","- C32 H44 N4 O2 Sn2 -","2","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0201","0.0196","","","0.0491","0.0493","","","","","","1.114","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019846","8.2967","0.0007","11.3895","0.0009","21.6629","0.0018","89.613","0.001","80.572","0.001","79.622","0.001","1985.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 N2 O2 Sn2 -","- C24 H38 N2 O2 Sn2 -","- C72 H114 N6 O6 Sn6 -","3","1.5","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0449","0.0339","","","0.07","0.0745","","","","","","1.019","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019847","12.3543","0.0019","14.471","0.002","13.135","0.002","90","","104.226","0.003","90","","2276.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 N2 O2 Sn2 -","- C20 H30 N2 O2 Sn2 -","- C80 H120 N8 O8 Sn8 -","4","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0537","0.0406","","","0.0908","0.0967","","","","","","1.053","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019848","9.9563","0.0008","20.5582","0.0017","15.2269","0.0013","90","","101.518","0.001","90","","3053.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 N2 O2 Sn2 -","- C28 H46 N2 O2 Sn2 -","- C112 H184 N8 O8 Sn8 -","4","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0253","0.0206","","","0.0487","0.0514","","","","","","1.051","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019849","15.0543","0.0015","12.313","0.0012","18.4523","0.0018","90","","100.95","0.001","90","","3358.1","0.6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 N2 O2 Sn2 -","- C32 H54 N2 O2 Sn2 -","- C128 H216 N8 O8 Sn8 -","4","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0238","0.0211","","","0.0537","0.0555","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019850","11.166","0.002","12.382","0.002","26.605","0.005","99.731","0.002","92.217","0.002","111.074","0.002","3363.1","1","188","2","188","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 O10 Sn5 -","- C70 H70 O10 Sn5 -","- C140 H140 O20 Sn10 -","2","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0416","0.0348","","","0.0839","0.0874","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019851","12.2459","0.0008","12.5489","0.0008","13.8878","0.0009","101.888","0.001","111.323","0.001","110.848","0.001","1714.48","0.19","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H88 O8 Sn4 -","- C72 H88 O8 Sn4 -","- C72 H88 O8 Sn4 -","1","0.5","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0301","0.0259","","","0.0649","0.0674","","","","","","1.147","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019852","8.36","0.004","11.187","0.005","12.069","0.006","63.389","0.004","71.234","0.005","84.577","0.005","953.9","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 O4 Sn2 -","- C40 H52 O4 Sn2 -","- C40 H52 O4 Sn2 -","1","0.5","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.021","0.0197","","","0.0472","0.048","","","","","","1.051","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019853","14.8587","0.0011","10.8624","0.0008","22.554","0.0016","90","","95.394","0.001","90","","3624.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 O4 Sn2 -","- C39 H44 O4 Sn2 -","- C156 H176 O16 Sn8 -","4","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0365","0.0297","","","0.0738","0.0776","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019854","19.628","0.003","13.8183","0.0019","19.431","0.003","90","","111.156","0.006","90","","4915","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H75 N O4 Sn2 -","- C50 H75 N O4 Sn2 -","- C200 H300 N4 O16 Sn8 -","4","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0712","0.036","","","0.0739","0.0931","","","","","","1.054","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019855","13.856","0.005","13.874","0.005","13.921","0.005","90","","94.788","0.005","90","","2666.8","1.7","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 O2 Sn -","- C28 H42 O2 Sn -","- C112 H168 O8 Sn4 -","4","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0245","0.023","","","0.0602","0.0612","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019856","15.9836","0.0018","19.1076","0.0018","15.9975","0.0017","90","","93.263","0.002","90","","4877.8","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 N2 O8 Sn6 -","- C46 H54 N2 O8 Sn6 -","- C184 H216 N8 O32 Sn24 -","4","0.5","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0287","0.0232","","","0.0911","0.1132","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019857","12.3902","0.0017","13.1348","0.0018","16.511","0.002","88.778","0.002","72.144","0.001","75.547","0.001","2472.2","0.6","188","2","188","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H56 O9 Sn6 -","- C45 H56 O9 Sn6 -","- C90 H112 O18 Sn12 -","2","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0548","0.0395","","","0.103","0.1242","","","","","","0.8","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019858","22.7442","0.0013","16.4148","0.0009","23.7362","0.0013","90","","90","","90","","8861.7","0.9","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H60 O7 Sn4 -","- C39 H60 O7 Sn4 -","- C312 H480 O56 Sn32 -","8","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0413","0.0301","","","0.0938","0.1074","","","","","","0.81","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019859","13.6503","0.0011","13.6503","0.0011","16.0642","0.0019","90","","90","","90","","2993.3","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C29 H33 Br Cl2 N2 Ni -","- C29 H33 Br Cl2 N2 Ni -","- C116 H132 Br4 Cl8 N8 Ni4 -","4","0.5","","Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying","Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9639","9645","10.1039/c2dt30778b","","","0.71073","MoKα","","0.0803","0.0585","","","0.1676","0.1802","","","","","","0.984","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019860","26.515","0.007","26.515","0.007","20.941","0.006","90","","90","","120","","12750","6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30.11 H28 Br Cl0.17 N2 Ni P0.33 -","- C30.0833 H28 Br Cl0.17 N2 Ni P0.333333 -","- C541.5 H504 Br18 Cl3.06 N36 Ni18 P6 -","18","1","","Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying","Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9639","9645","10.1039/c2dt30778b","","","0.71073","MoKα","","0.196","0.0824","","","0.2038","0.2539","","","","","","0.953","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019861","11.756","0.005","21.816","0.011","12.863","0.007","90","","93.458","0.019","90","","3293","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H41 Br Cl2 N2 Ni -","- C33 H41 Br Cl2 N2 Ni -","- C132 H164 Br4 Cl8 N8 Ni4 -","4","1","","Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying","Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9639","9645","10.1039/c2dt30778b","","","0.71073","MoKα","","0.0674","0.0435","","","0.0904","0.1037","","","","","","1.081","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019862","9.7112","0.0009","21.3935","0.0019","15.7623","0.0014","90","","93.504","0.001","90","","3268.6","0.5","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl2 Fe Li N2 O2 -","- C32 H39 Cl2 Fe Li N2 O2 -","- C128 H156 Cl8 Fe4 Li4 N8 O8 -","4","1","","Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying","Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9639","9645","10.1039/c2dt30778b","","","0.71073","MoKα","","0.0889","0.0639","","","0.1909","0.2111","","","","","","1.068","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019863","10.4769","0.0019","17.05","0.003","20.291","0.004","90","","98.088","0.003","90","","3588.6","1.2","185","2","185","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Cl2 Fe Li N2 O2 -","- C36 H47 Cl2 Fe Li N2 O2 -","- C144 H188 Cl8 Fe4 Li4 N8 O8 -","4","0.5","","Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying","Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9639","9645","10.1039/c2dt30778b","","","0.71073","MoKα","","0.1396","0.0726","","","0.1817","0.2158","","","","","","1.075","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019864","8.1544","0.0011","3.8812","0.0005","10.6224","0.0014","90","","97.435","0.002","90","","333.36","0.08","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Hf Se3 Tl2 -","- Hf Se3 Tl2 -","- Hf2 Se6 Tl4 -","2","0.5","","Sankar, Cheriyedath Raj; Kuropatwa, Bryan A.; Assoud, Abdeljalil; Kleinke, Holger","Structures and properties of the ternary thallium chalcogenides Tl(2)MQ(3) (M = Zr, Hf; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9646","9650","10.1039/c2dt30782k","","","0.71073","MoKα","","0.0453","0.0421","","","0.1245","0.1284","","","","","","1.172","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019865","7.9159","0.001","3.7651","0.0005","10.2756","0.0013","90","","97.476","0.002","90","","303.65","0.07","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- S3 Tl2 Zr -","- S3 Tl2 Zr -","- S6 Tl4 Zr2 -","2","0.5","","Sankar, Cheriyedath Raj; Kuropatwa, Bryan A.; Assoud, Abdeljalil; Kleinke, Holger","Structures and properties of the ternary thallium chalcogenides Tl(2)MQ(3) (M = Zr, Hf; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9646","9650","10.1039/c2dt30782k","","","0.71073","MoKα","","0.036","0.0269","","","0.0519","0.0589","","","","","","1.1","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019866","15.67","0.002","15.67","0.002","37.62","0.008","90","","90","","120","","8000","2","123","2","123","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C44 H90 B2 F8 Mn7 N4 O28 -","- C44 H89.97 B2 F8 Mn7 N4 O27.99 -","- C176 H359.88 B8 F32 Mn28 N16 O111.96 -","4","0.333333","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Unusual oxidation state distributions observed for two mixed-valence heptanuclear manganese disc-like clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9789","9796","10.1039/c2dt30786c","","","0.71073","MoKα","","0.0885","0.0682","","","0.1534","0.1613","","","","","","1.105","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019867","13.7426","0.0005","17.0063","0.0006","21.7683","0.0011","109.096","0.002","91.689","0.002","112.636","0.002","4366.2","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H109.5 Cl3 F3 Mn7 N7.5 O25 -","- C65 H105.509 Cl3 F3 Mn7 N7.5 O25 -","- C130 H211.018 Cl6 F6 Mn14 N15 O50 -","2","1","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Unusual oxidation state distributions observed for two mixed-valence heptanuclear manganese disc-like clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9789","9796","10.1039/c2dt30786c","","","0.71073","MoKα","","0.1316","0.0751","","","0.2197","0.2696","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019868","8.034","0.002","8.357","0.002","12.834","0.004","98.666","0.003","93.134","0.003","110.001","0.003","795.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Fe2 N O6 S -","- C13 H9 Fe2 N O6 S -","- C26 H18 Fe4 N2 O12 S2 -","2","1","","Long, Li; Xiao, Zhiyin; Zampella, Giuseppe; Wei, Zhenhong; De Gioia, Luca; Liu, Xiaoming","The reactions of pyridinyl thioesters with triiron dodecacarbonyl: their novel diiron carbonyl complexes and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9482","9492","10.1039/c2dt30798g","","","0.71073","MoKα","","0.0243","0.0221","","","0.0594","0.0608","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019869","9.0878","0.0018","12.58","0.003","13.299","0.003","69.848","0.002","84.859","0.002","88.663","0.002","1421.5","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H23 Fe2 N O5 P S -","- C30 H23 Fe2 N O5 P S -","- C60 H46 Fe4 N2 O10 P2 S2 -","2","1","","Long, Li; Xiao, Zhiyin; Zampella, Giuseppe; Wei, Zhenhong; De Gioia, Luca; Liu, Xiaoming","The reactions of pyridinyl thioesters with triiron dodecacarbonyl: their novel diiron carbonyl complexes and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9482","9492","10.1039/c2dt30798g","","","0.71073","MoKα","","0.0391","0.0311","","","0.0844","0.0909","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019870","8.784","0.005","12.502","0.007","16.016","0.008","90","","92.832","0.006","90","","1756.7","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Fe2 N2 O5 S -","- C16 H10 Fe2 N2 O5 S -","- C64 H40 Fe8 N8 O20 S4 -","4","1","","Long, Li; Xiao, Zhiyin; Zampella, Giuseppe; Wei, Zhenhong; De Gioia, Luca; Liu, Xiaoming","The reactions of pyridinyl thioesters with triiron dodecacarbonyl: their novel diiron carbonyl complexes and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9482","9492","10.1039/c2dt30798g","","","0.71073","MoKα","","0.1117","0.0654","","","0.1545","0.1879","","","","","","1.03","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019871","9.051","0.0019","9.2243","0.0019","11.929","0.004","101.145","0.003","102.516","0.003","107.424","0.002","891.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Fe2 N2 O5 S -","- C16 H10 Fe2 N2 O5 S -","- C32 H20 Fe4 N4 O10 S2 -","2","1","","Long, Li; Xiao, Zhiyin; Zampella, Giuseppe; Wei, Zhenhong; De Gioia, Luca; Liu, Xiaoming","The reactions of pyridinyl thioesters with triiron dodecacarbonyl: their novel diiron carbonyl complexes and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9482","9492","10.1039/c2dt30798g","","","0.71073","MoKα","","0.0286","0.0242","","","0.0638","0.0675","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019872","16.518","0.002","18.976","0.003","12.349","0.0017","90","","90","","90","","3870.7","0.9","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C17 H10 Fe2 N2 O6 S -","- C17 H10 Fe2 N2 O6 S -","- C136 H80 Fe16 N16 O48 S8 -","8","1","","Long, Li; Xiao, Zhiyin; Zampella, Giuseppe; Wei, Zhenhong; De Gioia, Luca; Liu, Xiaoming","The reactions of pyridinyl thioesters with triiron dodecacarbonyl: their novel diiron carbonyl complexes and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9482","9492","10.1039/c2dt30798g","","","0.71073","MoKα","","0.0742","0.0472","","","0.1224","0.141","","","","","","1.04","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019873","11.4382","0.0006","12.4187","0.0007","13.6457","0.0008","104.936","0.0019","108.641","0.0019","100.415","0.0015","1699.72","0.17","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 N2 Ni O6 S10 -","- C24 H31 N2 Ni O6 S10 -","- C48 H62 N4 Ni2 O12 S20 -","2","1","","Hoshino, Norihisa; Kubo, Kazuya; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Crystal structures and magnetic properties of (4,4'-phenylazophenyl)diammonium(crown ethers)[Ni(dmit)(2)](2) crystals.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9297","9303","10.1039/c2dt30807j","","","0.71075","MoKα","","","0.0359","","","","0.0942","","","","","","1.053","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019874","11.4101","0.0005","13.2811","0.0005","14.8208","0.0006","75.0247","0.0013","84.8429","0.0015","72.0153","0.0016","2063.51","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H43 N2 Ni O6 S10 -","- C32 H43 N2 Ni O6 S10 -","- C64 H86 N4 Ni2 O12 S20 -","2","1","","Hoshino, Norihisa; Kubo, Kazuya; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Crystal structures and magnetic properties of (4,4'-phenylazophenyl)diammonium(crown ethers)[Ni(dmit)(2)](2) crystals.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9297","9303","10.1039/c2dt30807j","","","0.71075","MoKα","","","0.0442","","","","0.1193","","","","","","1.053","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019875","25.795","0.007","4.4057","0.0012","16.118","0.004","90","","90","","90","","1831.7","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H25 N5 O2 -","- C16 H21 N5 O2 -","- C64 H84 N20 O8 -","4","1","","Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan","Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9503","9512","10.1039/c2dt30816a","","","0.71073","MoKα","","0.1565","0.0553","","","0.1147","0.1627","","","","","","1.005","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019876","9.7596","0.0009","12.8135","0.0012","16.6319","0.0015","78.72","0.003","76.803","0.003","84.894","0.003","1983.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N5 O3 Pd -","- C18 H23 N5 O3 Pd -","- C72 H92 N20 O12 Pd4 -","4","2","","Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan","Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9503","9512","10.1039/c2dt30816a","","","0.71073","MoKα","","0.074","0.0443","","","0.1026","0.1216","","","","","","1.053","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019877","19.371","0.002","11.72","0.0014","17.301","0.002","90","","97.893","0.004","90","","3890.6","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H44 Li2 N10 -","- C32 H40 Li2 N10 -","- C128 H160 Li8 N40 -","4","0.5","","Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan","Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9503","9512","10.1039/c2dt30816a","","","0.71073","MoKα","","0.0889","0.0617","","","0.148","0.1593","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019878","12.811","0.004","14.946","0.004","8.938","0.002","90","","90","","90","","1711.4","0.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H20 Cl N5 Pd -","- C16 H20 Cl N5 Pd -","- C64 H80 Cl4 N20 Pd4 -","4","0.5","","Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan","Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9503","9512","10.1039/c2dt30816a","","","0.71073","MoKα","","0.1087","0.0439","","","0.0839","0.1077","","","","","","0.993","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019879","11.7331","0.0007","14.8663","0.0009","15.3431","0.0015","107.086","0.002","106.27","0.002","105.883","0.001","2263.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 Cl6 N10 O2 Pd2 -","- C33 H44 Cl6 N10 O2 Pd2 -","- C66 H88 Cl12 N20 O4 Pd4 -","2","1","","Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan","Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9503","9512","10.1039/c2dt30816a","","","0.71073","MoKα","","0.0579","0.0425","","","0.1372","0.151","","","","","","1.103","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019880","8.5431","0.001","17.102","0.002","18.187","0.002","62.5943","0.0013","88.1152","0.0016","85.947","0.0016","2353.1","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 B O Y -","- C24 H42 B O Y -","- C96 H168 B4 O4 Y4 -","4","2","","Demir, Selvan; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Scandium and yttrium metallocene borohydride complexes: comparisons of (BH(4))(1-)vs. (BPh(4))(1-) coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9659","9666","10.1039/c2dt30861d","","","0.71073","MoKα","","0.0457","0.0324","","","0.0721","0.0766","","","","","","1.044","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7019881","8.6457","0.0003","16.8105","0.0006","16.8419","0.0006","65.9645","0.0004","87.0262","0.0005","81.1176","0.0005","2208.56","0.14","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 B O Y -","- C22 H38 B O Y -","- C88 H152 B4 O4 Y4 -","4","2","","Demir, Selvan; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Scandium and yttrium metallocene borohydride complexes: comparisons of (BH(4))(1-)vs. (BPh(4))(1-) coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9659","9666","10.1039/c2dt30861d","","","0.71073","MoKα","","0.0385","0.0274","","","0.0627","0.0666","","","","","","1.018","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7019882","10.7158","0.0004","13.6441","0.0005","17.6253","0.0006","102.944","0.0005","99.0856","0.0005","104.329","0.0005","2370.42","0.15","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 B Sc -","- C26 H42 B Sc -","- C104 H168 B4 Sc4 -","4","2","","Demir, Selvan; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Scandium and yttrium metallocene borohydride complexes: comparisons of (BH(4))(1-)vs. (BPh(4))(1-) coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9659","9666","10.1039/c2dt30861d","","","0.71073","MoKα","","0.058","0.0468","","","0.1128","0.121","","","","","","1.037","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7019883","9.191","0.0005","15.1368","0.0008","19.9838","0.0011","69.3342","0.0006","77.1285","0.0007","87.1072","0.0007","2534.7","0.2","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H46 B Sc -","- C28 H46 B Sc -","- C112 H184 B4 Sc4 -","4","2","","Demir, Selvan; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Scandium and yttrium metallocene borohydride complexes: comparisons of (BH(4))(1-)vs. (BPh(4))(1-) coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9659","9666","10.1039/c2dt30861d","","","0.71073","MoKα","","0.0622","0.0463","","","0.1139","0.1225","","","","","","1.03","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7019884","8.4949","0.0004","16.6454","0.0008","17.7827","0.0008","63.7179","0.0005","87.6483","0.0005","87.2937","0.0006","2251.47","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H80 B Cl O2 Sc2 -","- C48 H80 B Cl O2 Sc2 -","- C96 H160 B2 Cl2 O4 Sc4 -","2","1","","Demir, Selvan; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Scandium and yttrium metallocene borohydride complexes: comparisons of (BH(4))(1-)vs. (BPh(4))(1-) coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9659","9666","10.1039/c2dt30861d","","","0.71073","MoKα","","0.043","0.0399","","","0.1031","0.1053","","","","","","1.012","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7019885","12.5375","0.0005","11.2389","0.0004","12.6035","0.0005","90","","102.969","0.0004","90","","1730.63","0.12","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 B Sc -","- C18 H30 B Sc -","- C72 H120 B4 Sc4 -","4","1","","Demir, Selvan; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Scandium and yttrium metallocene borohydride complexes: comparisons of (BH(4))(1-)vs. (BPh(4))(1-) coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9659","9666","10.1039/c2dt30861d","","","0.71073","MoKα","","0.029","0.0272","","","0.0745","0.0765","","","","","","1.029","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019886","8.5074","0.001","13.3327","0.0016","16.267","0.002","108.214","0.0016","96.5966","0.0016","105.045","0.0016","1653.5","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 N2 Sc2 -","- C36 H52 N2 Sc2 -","- C72 H104 N4 Sc4 -","2","1","","Demir, Selvan; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Scandium and yttrium metallocene borohydride complexes: comparisons of (BH(4))(1-)vs. (BPh(4))(1-) coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9659","9666","10.1039/c2dt30861d","","","0.71073","MoKα","","0.0769","0.0453","","","0.1019","0.114","","","","","","1.02","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019887","7.6619","0.0004","5.8283","0.0003","19.2568","0.0009","90","","100.833","0.004","90","","844.6","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 Ni O8 -","- C17 H18 Ni O8 -","- C34 H36 Ni2 O16 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0426","0.037","","","0.0771","0.0814","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019888","7.6746","0.0005","5.861","0.0003","19.3632","0.001","90","","101.186","0.006","90","","854.43","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 Co O8 -","- C17 H18 Co O8 -","- C34 H36 Co2 O16 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0336","0.0293","","","0.056","0.0577","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019889","18.369","0.0012","6.111","0.0003","15.116","0.001","90","","99.078","0.006","90","","1675.56","0.18","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H16 Cd O7 -","- C17 H16 Cd O7 -","- C68 H64 Cd4 O28 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0531","0.0437","","","0.0768","0.0817","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019890","8.2904","0.0003","16.5876","0.0005","18.3294","0.0008","90","","90","","90","","2520.62","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 Cd N2 O6 -","- C29 H22 Cd N2 O6 -","- C116 H88 Cd4 N8 O24 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.045","0.0362","","","0.076","0.0816","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019891","12.6724","0.0006","9.9767","0.0003","20.6665","0.001","90","","96.217","0.004","90","","2597.47","0.19","293","2","293","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C58 H46 Mn2 N4 O13 -","- C58 H45.5 Mn2 N4 O13 -","- C116 H91 Mn4 N8 O26 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0694","0.043","","","0.0799","0.0903","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019892","6.8443","0.0003","16.4131","0.0009","23.3284","0.001","90","","93.72","0.004","90","","2615.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H56 Cd2 N8 O12 -","- C54 H56 Cd2 N8 O12 -","- C108 H112 Cd4 N16 O24 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.096","0.0573","","","0.0797","0.0907","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019893","6.5495","0.0005","16.5696","0.0013","23.432","0.002","90","","91.632","0.008","90","","2541.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H56 N8 O12 Zn2 -","- C54 H56 N8 O12 Zn2 -","- C108 H112 N16 O24 Zn4 -","2","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.1325","0.0803","","","0.1434","0.1665","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019894","7.2789","0.0002","16.8823","0.0005","23.55","0.0008","90","","90","","90","","2893.93","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Cd N4 O6 -","- C31 H28 Cd N4 O6 -","- C124 H112 Cd4 N16 O24 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0412","0.0367","","","0.075","0.0771","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019895","7.2883","0.0003","16.8613","0.0008","23.529","0.0011","90","","90","","90","","2891.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cd N6 O6 -","- C29 H26 Cd N6 O6 -","- C116 H104 Cd4 N24 O24 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0562","0.0481","","","0.1102","0.1162","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019896","7.2266","0.0002","15.458","0.0004","24.9598","0.0005","90","","90","","90","","2788.23","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cd N4 O6 -","- C29 H32 Cd N4 O6 -","- C116 H128 Cd4 N16 O24 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0459","0.0369","","","0.0723","0.0756","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019897","11.231","0.003","13.123","0.004","14.134","0.005","80.616","0.015","71.262","0.011","71.95","0.014","1871","1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H37 N4 O5 Re -","- C47 H37 N4 O5 Re -","- C94 H74 N8 O10 Re2 -","2","1","","Yamamoto, Takaaki; Toganoh, Motoki; Furuta, Hiroyuki","Cooperation between metal and ligand in oxygen atom transport by N-confused porphyrin oxorhenium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9154","9157","10.1039/c2dt30885a","","","0.71075","MoKα","","0.0774","0.0646","","","0.137","0.1473","","","","","","1.117","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019898","11.841","0.006","12.438","0.007","14.373","0.007","81.87","0.02","65.83","0.018","68.408","0.014","1795.6","1.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 N4 O2 Re -","- C48 H32 N4 O2 Re -","- C96 H64 N8 O4 Re2 -","2","1","","Yamamoto, Takaaki; Toganoh, Motoki; Furuta, Hiroyuki","Cooperation between metal and ligand in oxygen atom transport by N-confused porphyrin oxorhenium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9154","9157","10.1039/c2dt30885a","","","0.710747","MoKa","","0.0603","0.0432","","","0.0738","0.0826","","","","","","1.03","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019899","13.3083","0.001","17.0735","0.0013","14.1248","0.0011","90","","90.194","0.002","90","","3209.4","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 B Cl3 F4 Fe N4 Rh -","- C29 H35 B Cl3 F4 Fe N4 Rh -","- C116 H140 B4 Cl12 F16 Fe4 N16 Rh4 -","4","1","","Panov, Dmitriy M.; Petrovskii, Pavel V.; Ezernitskaya, Mariam G.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Koridze, Avthandil A.","Rhodium and iridium complexes of a new ferrocene-derived chelating bis(NHC) ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9667","9671","10.1039/c2dt30898c","","","0.71073","MoKα","","0.0443","0.0338","","","0.0739","0.0792","","","","","","1.014","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019900","23.323","0.004","14.104","0.002","22.736","0.004","90","","113.931","0.002","90","","6836","1.9","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Cu6 N26 O5 S6 -","- C48 H52 Cu6 N26 O5 S6 -","- C192 H208 Cu24 N104 O20 S24 -","4","0.5","","Shan, Xiao-Chen; Jiang, Fei-Long; Yuan, Da-Qiang; Wu, Ming-Yan; Zhang, Shu-Quan; Hong, Mao-Chun","The unusual thermochromic NIR luminescence of Cu(i) clusters: tuned by Cu-Cu interactions and packing modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9411","9416","10.1039/c2dt30909b","","","0.71073","MoKα","","0.0566","0.0526","","","0.1728","0.1769","","","","","","1.087","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019901","19.7989","0.0006","19.7989","0.0006","17.4799","0.0008","90","","90","","120","","5934.1","0.4","113","2","113","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C42 H30 Cu6 N24 S6 -","- C42 H30 Cu6 N24 S6 -","- C84 H60 Cu12 N48 S12 -","2","0.166667","","Shan, Xiao-Chen; Jiang, Fei-Long; Yuan, Da-Qiang; Wu, Ming-Yan; Zhang, Shu-Quan; Hong, Mao-Chun","The unusual thermochromic NIR luminescence of Cu(i) clusters: tuned by Cu-Cu interactions and packing modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9411","9416","10.1039/c2dt30909b","","","0.71073","MoKα","","0.045","0.0382","","","0.1152","0.1214","","","","","","1.091","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019902","12.2174","0.0012","14.3962","0.0013","15.2425","0.0009","93.545","0.003","93.921","0.002","114.081","0.004","2430","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Cl2 Cu5 N6 O40 -","- C24 H26 Cl1.998 Cu5 N6 O40 -","- C48 H52 Cl3.996 Cu10 N12 O80 -","2","1","","Zhu, Qilong; Shen, Chaojun; Tan, Chunhong; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao","A one-dimensional coordination polymer constructed from planar pentanuclear copper(ii) clusters with a flexible tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9604","9606","10.1039/c2dt30912b","","","0.71073","MoKα","","0.0594","0.048","","","0.1363","0.1462","","","","","","0.992","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019903","13.051","0.002","14.574","0.002","24.834","0.004","90","","98.37","0.002","90","","4673.2","1.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 H16 N4 O41 P Pt2 W11 -","- Cs3 H12 N4 O41 P Pt2 W11 -","- Cs12 H48 N16 O164 P4 Pt8 W44 -","4","1","","Kato, Chika Nozaki; Morii, Yusuke; Hattori, Shota; Nakayama, Ryuta; Makino, Yuki; Uno, Hidemitsu","Diplatinum(ii)-coordinated polyoxotungstate: synthesis, molecular structure, and photocatalytic performance for hydrogen evolution from water under visible-light irradiation.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10021","10027","10.1039/c2dt30915g","","","0.71075","MoKα","","","0.0587","","","","0.1567","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019904","7.891","0.0005","17.3435","0.0015","17.8672","0.0015","90","","101.33","0.007","90","","2397.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(2-(bis(perfluorophenyl)boryl)phenyl)-2,2,6,6- tetramethylpiperidin","1-(2-(bis(perfluorophenyl)boryl)phenyl)-2,2,6,6-tetramethylpiperidin","","- C27 H22 B F10 N -","- C27 H22 B F10 N -","- C108 H88 B4 F40 N4 -","4","1","","Chernichenko, Konstantin; Nieger, Martin; Leskelä, Markku; Repo, Timo","Hydrogen activation by 2-boryl-N,N-dialkylanilines: a revision of Piers'ansa-aminoborane.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9029","9032","10.1039/c2dt30926b","","","0.71073","MoKα","","0.1153","0.0579","","","0.1015","0.1205","","","","","","1.029","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019905","10.944","0.001","11.974","0.001","12.513","0.001","117.39","0.01","98.29","0.01","106.57","0.01","1320.4","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","bis(perfluorophenyl)(2-(2,2,6,6-tetramethylpiperidin-1-ium- 1yl)phenyl)-hydrobarate","bis(perfluorophenyl)(2-(2,2,6,6-tetramethylpiperidin-1-ium-1yl)phenyl)- hydrobarate","","- C30 H24 B D3 F10 N -","- C30 H24 B D3 F10 N -","- C60 H48 B2 D6 F20 N2 -","2","1","","Chernichenko, Konstantin; Nieger, Martin; Leskelä, Markku; Repo, Timo","Hydrogen activation by 2-boryl-N,N-dialkylanilines: a revision of Piers'ansa-aminoborane.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9029","9032","10.1039/c2dt30926b","","","0.71073","MoKα","","0.0635","0.0436","","","0.1008","0.1117","","","","","","1.03","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019906","9.8216","0.0004","35.021","0.0015","11.1291","0.0004","90","","107.047","0.002","90","","3659.8","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7,7-dimethyl-8,8-bis(perfluorophenyl)-7-aza-8- borabicyclo(4.2.0)octa-1,3,5-trien-7-ium-8-uide","7,7-dimethyl-8,8-bis(perfluorophenyl)-7-aza-8-borabicyclo[4.2.0]octa- 1,3,5-trien-7-ium-8-uide","","- C20 H10 B F10 N -","- C20 H10 B F10 N -","- C160 H80 B8 F80 N8 -","8","2","","Chernichenko, Konstantin; Nieger, Martin; Leskelä, Markku; Repo, Timo","Hydrogen activation by 2-boryl-N,N-dialkylanilines: a revision of Piers'ansa-aminoborane.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9029","9032","10.1039/c2dt30926b","","","0.71073","MoKα","","0.0644","0.0506","","","0.1023","0.1107","","","","","","1.107","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019907","12.6456","0.0018","11.326","0.0016","16.451","0.002","90","","104.736","0.003","90","","2278.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 Cl2 F12 Ir2 N4 -","- C45 H46 Cl2 F12 Ir2 N4 -","- C90 H92 Cl4 F24 Ir4 N8 -","2","0.5","","Searles, Keith; Pink, Maren; Caulton, Kenneth G.; Mindiola, Daniel J.","An iridium-pyridylpyrrolide complex exhibiting reversible binding of H(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9619","9622","10.1039/c2dt30981e","","","0.71073","MoKα","","0.033","0.0237","","","0.0476","0.0503","","","","","","1.013","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019908","15.0882","0.0007","14.983","0.0004","17.1533","0.0009","90","","100.812","0.002","90","","3808.9","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Cl4 N5 Ti -","- C36 H47 Cl4 N5 Ti -","- C144 H188 Cl16 N20 Ti4 -","4","1","","Dastgir, Sarim; Lavoie, Gino G.","Titanium(iv) imido complexes of imine imidazol-2-imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9651","9658","10.1039/c2dt31004j","","","0.71073","MoKα","","0.1574","0.0662","","","0.153","0.1906","","","","","","1.029","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019909","15.077","0.0013","23.102","0.002","15.0791","0.0014","90","","92.336","0.005","90","","5247.8","0.8","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C35 H83 Mn Mo6 N6 O25 -","- C27.8 H55.96 Mn Mo6 N5.9 O25 -","- C111.2 H223.84 Mn4 Mo24 N23.6 O100 -","4","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","0.71073","MoKα","","0.0605","0.0456","","","0.1279","0.1447","","","","","","1.032","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019910","24.6971","0.0016","12.6758","0.0008","18.8241","0.001","90","","90.641","0.005","90","","5892.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H90 Mn Mo6 N7 O26 -","- C38 H70.02 Mn Mo6 N7 O26 -","- C152 H280.08 Mn4 Mo24 N28 O104 -","4","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","0.71073","MoKα","","0.0802","0.0453","","","0.0885","0.1075","","","","","","1.054","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019911","8.6386","0.0004","10.0132","0.0005","14.3392","0.0008","109.102","0.002","92.59","0.002","93.587","0.002","1166.91","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H52 Mn Mo6 N6 Na3 O32 -","- C20 H52.02 Mn Mo6 N6 Na3 O32 -","- C20 H52.02 Mn Mo6 N6 Na3 O32 -","1","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","0.71073","MoKα","","0.0246","0.0202","","","0.0494","0.0524","","","","","","1.034","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019912","12.6794","0.0007","11.9967","0.0006","20.892","0.0011","90","","95.176","0.003","90","","3164.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H94 Mo8 N6 O26 -","- C38 H94 Mo8 N6 O28 -","- C76 H188 Mo16 N12 O56 -","2","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","0.71073","MoKα","","0.0393","0.0286","","","0.0687","0.076","","","","","","1.05","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019913","13.393","0.003","13.86","0.003","17.702","0.004","66.991","0.01","76.601","0.011","82.092","0.011","2938.2","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H142 Mn2 Mo12 N19 Na5 O62 -","- C61.4 H133.04 Mn2 Mo12 N19 Na5 O62 -","- C61.4 H133.04 Mn2 Mo12 N19 Na5 O62 -","1","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","0.71073","MoKα","","0.0791","0.0502","","","0.1169","0.1341","","","","","","1.017","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019914","21.2892","0.0012","22.0626","0.001","16.7364","0.0008","90","","90","","90","","7861","0.7","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C51 H119 Mo8 N5 O27 -","- C51 H112 Mo8 N5 O27 -","- C204 H448 Mo32 N20 O108 -","4","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","0.71073","MoKα","","0.0391","0.0276","","","0.061","0.0688","","","","","","1.059","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019915","9.4649","0.0004","20.3666","0.0008","11.6803","0.0004","90","","93.236","0.003","90","","2248","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H50 Mo8 N5 Na O28 -","- C16 H38 Mo8 N4.7 Na O28 -","- C32 H76 Mo16 N9.4 Na2 O56 -","2","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","1.54178","CuKα","","0.0793","0.0714","","","0.2541","0.2598","","","","","","1.102","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019916","13.1358","0.0011","20.121","0.0015","23.1313","0.0017","65.365","0.003","89.772","0.004","88.935","0.004","5556.3","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H70 Mo8 N4 Na2 O28 -","- C30 H70 Mo8 N4 Na2 O28 -","- C120 H280 Mo32 N16 Na8 O112 -","4","2","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","0.71073","MoKα","","0.0407","0.034","","","0.0787","0.0825","","","","","","1.108","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019917","29.0498","0.001","9.2853","0.0003","24.0873","0.0008","90","","102.186","0.003","90","","6350.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H73 Mn Mo6 N8 O27 -","- C22.6 H51.02 Mn Mo6 N7.2 O24.8 -","- C90.4 H204.08 Mn4 Mo24 N28.8 O99.2 -","4","0.5","","Rosnes, Mali H.; Yvon, Carine; Long, De-Liang; Cronin, Leroy","Mapping the synthesis of low nuclearity polyoxometalates from octamolybdates to Mn-Anderson clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10071","10079","10.1039/c2dt31008b","","","1.54184","CuKα","","0.1125","0.0744","","","0.205","0.2425","","","","","","1.053","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019918","13.08","0.005","13.594","0.005","23.084","0.005","77.078","0.005","80.701","0.005","61.405","0.005","3505","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H47 Cl0 F10 Ir N11 O4 P -","- C73 H47 F10 Ir N11 O4 P -","- C146 H94 F20 Ir2 N22 O8 P2 -","2","1","","Shan, Guo-Gang; Li, Hai-Bin; Qin, Jun-Sheng; Zhu, Dong-Xia; Liao, Yi; Su, Zhong-Min","Piezochromic luminescent (PCL) behavior and aggregation-induced emission (AIE) property of a new cationic iridium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9590","9593","10.1039/c2dt31013a","","","0.71069","MoKα","","0.0927","0.0596","","","0.1657","0.1841","","","","","","1.064","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019919","12.0094","0.0017","12.0094","0.0017","32.467","0.007","90","","90","","90","","4682.6","1.4","173","2","173","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C49 H49 F6 N8 O2 P Ru -","- C49 H49 F6 N8 O2 P Ru -","- C196 H196 F24 N32 O8 P4 Ru4 -","4","0.5","","Zhang, You-Ming; Shao, Jiang-Yang; Yao, Chang-Jiang; Zhong, Yu-Wu","Cyclometalated ruthenium(ii) complexes with a bis-carbene CCC-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9280","9282","10.1039/c2dt31015e","","","0.71073","MoKα","","0.119","0.1079","","","0.2735","0.282","","","","","","1.142","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019920","10.5963","0.0016","12.3639","0.0019","17.124","0.003","82.977","0.003","87.201","0.003","74.186","0.003","2142.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Ar(tBuCH2)N)3TaPPh","","","- C45 H65 N3 P Ta -","- C45 H65 N3 P Ta -","- C90 H130 N6 P2 Ta2 -","2","1","","Rankin, Matthew A.; Cummins, Christopher C.","Terminal phosphinidene formation via tantalaziridine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9615","9618","10.1039/c2dt31082a","","","0.71073","MoKα","","0.0279","0.0266","","","0.0663","0.0667","","","","","","1.118","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019921","12.9616","0.0009","12.9616","0.0009","38.84","0.003","90","","90","","120","","5651","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","(HTa(N(CH2tBu)Ar)3)2","","","- C78 H124 N6 Ta2 -","- C78 H123.96 N6 Ta2 -","- C234 H371.88 N18 Ta6 -","3","0.166667","","Rankin, Matthew A.; Cummins, Christopher C.","Terminal phosphinidene formation via tantalaziridine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9615","9618","10.1039/c2dt31082a","","","0.71073","MoKα","","0.0236","0.0215","","","0.0515","0.0529","","","","","","1.105","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019922","22.3937","0.0019","13.1868","0.0011","29.573","0.003","90","","108.031","0.001","90","","8304.1","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Ar(CH2tBu)N)3TaCl2","","","- C39.5 H61 Cl3.25 N3 Ta -","- C39 H60 Cl2 N3 Ta -","- C312 H480 Cl16 N24 Ta8 -","8","1","","Rankin, Matthew A.; Cummins, Christopher C.","Terminal phosphinidene formation via tantalaziridine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9615","9618","10.1039/c2dt31082a","","","0.71073","MoKα","","0.0387","0.0347","","","0.0855","0.0873","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019923","11.9313","0.0016","35.046","0.005","9.5018","0.0012","90","","106.182","0.002","90","","3815.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ar(tBuCH2)N)2(tBuC(H)NAr)TaCl","","","- C39 H59 Cl N3 Ta -","- C39 H59 Cl N3 Ta -","- C156 H236 Cl4 N12 Ta4 -","4","1","","Rankin, Matthew A.; Cummins, Christopher C.","Terminal phosphinidene formation via tantalaziridine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9615","9618","10.1039/c2dt31082a","","","0.71073","MoKα","","0.0462","0.0334","","","0.0706","0.0748","","","","","","1.084","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019924","12.8823","0.0008","17.7431","0.0012","21.9477","0.0015","84.424","0.001","74.16","0.001","87.807","0.001","4802.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Ar(tBuCH2)N)2(tBuC(H)NAr)TaP(H)Ph","","","- C48.75 H73 N3 P Ta -","- C48.75 H73 N3 P Ta -","- C195 H292 N12 P4 Ta4 -","4","2","","Rankin, Matthew A.; Cummins, Christopher C.","Terminal phosphinidene formation via tantalaziridine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9615","9618","10.1039/c2dt31082a","","","0.71073","MoKα","","0.0643","0.0399","","","0.0814","0.092","","","","","","1.04","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019925","10.932","0.0012","11.5291","0.0012","18.468","0.002","102.234","0.002","91.533","0.002","103.933","0.002","2200.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Ar(tBuCH2)N)3TaPCy","","","- C45 H71 N3 P Ta -","- C45 H71 N3 P Ta -","- C90 H142 N6 P2 Ta2 -","2","1","","Rankin, Matthew A.; Cummins, Christopher C.","Terminal phosphinidene formation via tantalaziridine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9615","9618","10.1039/c2dt31082a","","","0.71073","MoKα","","0.0432","0.0329","","","0.0655","0.0702","","","","","","1.051","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019926","10.9124","0.0007","11.6952","0.0007","19.3712","0.0012","90.017","0.001","101.398","0.001","103.362","0.001","2355.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Ar(tBuCH2)N)2(tBuC(H)NAr)TaPPh2","","","- C51 H69 N3 P Ta -","- C51 H69 N3 P Ta -","- C102 H138 N6 P2 Ta2 -","2","1","","Rankin, Matthew A.; Cummins, Christopher C.","Terminal phosphinidene formation via tantalaziridine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9615","9618","10.1039/c2dt31082a","","","0.71073","MoKα","","0.0357","0.0278","","","0.0589","0.0613","","","","","","1.045","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019927","25.057","0.0016","11.1882","0.0004","13.0591","0.0009","90","","90","","90","","3661","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H16 Ag4 N2 O11 -","- C11 H16 Ag4 N2 O11 -","- C88 H128 Ag32 N16 O88 -","8","1","","Li, Bo; Ji, Can; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Benzenepolycarboxylate-templated assembly of silver coordination polymers exhibiting argentophilic honeycomb layer and tubular motifs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9151","9153","10.1039/c2dt31160g","","","0.71073","MoKα","","0.1059","0.0815","","","0.2761","0.2981","","","","","","1.083","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019928","18.1669","0.0013","13.5876","0.0007","6.4273","0.0004","90","","90","","90","","1586.54","0.17","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H5 Ag5 O12 -","- C11 H5 Ag5 O12 -","- C44 H20 Ag20 O48 -","4","0.5","","Li, Bo; Ji, Can; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Benzenepolycarboxylate-templated assembly of silver coordination polymers exhibiting argentophilic honeycomb layer and tubular motifs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9151","9153","10.1039/c2dt31160g","","","0.71073","MoKα","","0.0621","0.0547","","","0.1742","0.1832","","","","","","1.047","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019929","11.9567","0.0016","13.8268","0.0019","16.05","0.002","85.563","0.002","80.664","0.002","84.676","0.002","2601.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H40 Cl4 N2 O8 -","- C66 H40 Cl4 N2 O8 -","- C132 H80 Cl8 N4 O16 -","2","1","","Li, Yang; Wilson, Justin J.; Do, Loi H.; Apfel, Ulf-Peter; Lippard, Stephen J.","A C(2)-symmetric, basic Fe(iii) carboxylate complex derived from a novel triptycene-based chelating carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9272","9275","10.1039/c2dt31260c","","","0.71073","MoKα","","0.0895","0.0568","","","0.1435","0.1661","","","","","","1.049","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019930","26.025","0.002","37.392","0.003","17.9887","0.0014","90","","93.539","0.001","90","","17472","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C216 H158 F6 Fe3 N4 Na O30 S2 -","- C216 H158 F6 Fe3 N4 Na O30 S2 -","- C864 H632 F24 Fe12 N16 Na4 O120 S8 -","4","0.5","","Li, Yang; Wilson, Justin J.; Do, Loi H.; Apfel, Ulf-Peter; Lippard, Stephen J.","A C(2)-symmetric, basic Fe(iii) carboxylate complex derived from a novel triptycene-based chelating carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9272","9275","10.1039/c2dt31260c","","","0.71073","MoKα","","0.1526","0.0976","","","0.2645","0.3192","","","","","","1.044","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019931","7.7083","0.0004","15.02","0.0009","8.5232","0.0005","90","","110.83","0.001","90","","922.31","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,6-dibromo-3-hydroxy-2-nitrobenzoic acid","","","- C7 H3 Br2 N O5 -","- C7 H3 Br2 N O5 -","- C28 H12 Br8 N4 O20 -","4","1","","Li, Yang; Wilson, Justin J.; Do, Loi H.; Apfel, Ulf-Peter; Lippard, Stephen J.","A C(2)-symmetric, basic Fe(iii) carboxylate complex derived from a novel triptycene-based chelating carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9272","9275","10.1039/c2dt31260c","","","0.71073","MoKα","","0.0226","0.0198","","","0.0491","0.05","","","","","","1.105","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019932","10.0461","0.0003","11.0398","0.0004","12.8487","0.0003","92.056","0.002","99.017","0.002","97.933","0.003","1391.52","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H48 Ni -","- C33 H48 Ni -","- C66 H96 Ni2 -","2","1","","Buchowicz, W.; Furmańczyk, A; Zachara, J.; Majchrzak, M.","Axial chiral metallocenes by two-fold ring-closing metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9269","9271","10.1039/c2dt31291c","","","0.71073","MoKα","","0.0456","0.037","","","0.0817","0.086","","","","","","1.041","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019933","9.8147","0.0002","10.9245","0.0003","13.1469","0.0003","67.653","0.002","86.4663","0.0018","75.074","0.002","1258.73","0.06","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H42 Fe -","- C30 H42 Fe -","- C60 H84 Fe2 -","2","1","","Buchowicz, W.; Furmańczyk, A; Zachara, J.; Majchrzak, M.","Axial chiral metallocenes by two-fold ring-closing metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9269","9271","10.1039/c2dt31291c","","","0.71073","MoKα","","0.0463","0.0363","","","0.0826","0.0877","","","","","","1.05","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019934","9.8085","0.0002","10.922","0.0002","13.2038","0.0003","67.299","0.0019","85.9538","0.0017","75.7027","0.0018","1264.02","0.05","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H42 Fe -","- C30 H42 Fe -","- C60 H84 Fe2 -","2","1","","Buchowicz, W.; Furmańczyk, A; Zachara, J.; Majchrzak, M.","Axial chiral metallocenes by two-fold ring-closing metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9269","9271","10.1039/c2dt31291c","","","0.7107","MoKα","","0.0477","0.0379","","","0.0905","0.0957","","","","","","1.055","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019935","9.4054","0.0002","11.5657","0.0002","13.819","0.0003","95.018","0.001","107.767","0.001","90.79","0.001","1424.75","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N4 Si -","- C31 H42 N4 Si -","- C62 H84 N8 Si2 -","2","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Ghadwal, Rajendra S.; Holstein, Julian J.; Dittrich, Birger","An access to base-stabilized three-membered silicon heterocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9601","9603","10.1039/c2dt31326j","","","1.54178","CuKα","","0.0477","0.038","","","0.0939","0.1194","","","","","","1.121","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019936","9.5628","0.0003","11.2764","0.0003","14.1642","0.0004","92.785","0.002","109.51","0.002","92.265","0.002","1435.46","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N3 Si -","- C32 H43 N3 Si -","- C64 H86 N6 Si2 -","2","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Ghadwal, Rajendra S.; Holstein, Julian J.; Dittrich, Birger","An access to base-stabilized three-membered silicon heterocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9601","9603","10.1039/c2dt31326j","","","1.54178","CuKα","","0.0404","0.0361","","","0.0952","0.099","","","","","","1.021","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019937","9.6994","0.0002","10.1424","0.0002","16.2348","0.0003","95.111","0.001","100.321","0.001","111.63","0.001","1439.45","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 N2 Si -","- C33 H42 N2 Si -","- C66 H84 N4 Si2 -","2","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Ghadwal, Rajendra S.; Holstein, Julian J.; Dittrich, Birger","An access to base-stabilized three-membered silicon heterocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9601","9603","10.1039/c2dt31326j","","","1.54178","CuKα","","0.0382","0.0358","","","0.1066","0.1278","","","","","","1.079","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019938","8.242","0.0016","14.566","0.003","25.304","0.005","90","","92.72","0.03","90","","3034.4","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F12 N4 O3 P2 Re -","- C23 H26 F12 N4 O3 P2 Re -","- C92 H104 F48 N16 O12 P8 Re4 -","4","1","","Li, Mei-Jin; Liu, Xing; Shi, Yun-Qin; Xie, Rui-Jia; Wei, Qiao-Hua; Chen, Guo-Nan","Synthesis, structure, photophysics and electrochemiluminescence of Re(i) tricarbonyl complexes with cationic 2,2-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10612","10618","10.1039/c2dt30074e","","","0.75","synchrotron","","0.0166","0.0149","","","0.0371","0.0376","","","","","","1.068","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019939","14.42","0.003","23.52","0.005","14.26","0.003","90","","90","","90","","4836.4","1.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H43 F18 N6 O3 P3 Re -","- C31 H43 F18 N6 O3 P3 Re -","- C124 H172 F72 N24 O12 P12 Re4 -","4","1","","Li, Mei-Jin; Liu, Xing; Shi, Yun-Qin; Xie, Rui-Jia; Wei, Qiao-Hua; Chen, Guo-Nan","Synthesis, structure, photophysics and electrochemiluminescence of Re(i) tricarbonyl complexes with cationic 2,2-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10612","10618","10.1039/c2dt30074e","","","0.75","synchrotron","","0.0749","0.0689","","","0.1865","0.1934","","","","","","1.058","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019940","33.835","0.004","7.374","0.0009","13.0857","0.0015","90","","92.497","0.002","90","","3261.8","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Br N O7.5 V -","- C14 H15 Br N O7.5 V -","- C112 H120 Br8 N8 O60 V8 -","8","1","","Han, Hong; Lu, Liping; Wang, Qingming; Zhu, Miaoli; Yuan, Caixia; Xing, Shu; Fu, Xueqi","Synthesis and evaluation of oxovanadium(iv) complexes of Schiff-base condensates from 5-substituted-2-hydroxybenzaldehyde and 2-substituted-benzenamine as selective inhibitors of protein tyrosine phosphatase 1B.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11116","11124","10.1039/c2dt30198a","","","0.71073","MoKα","","0.032","0.0245","","","0.0568","0.0624","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019941","15.2688","0.0015","15.3552","0.0016","15.403","0.003","106.787","0.002","117.059","0.002","103.195","0.001","2791.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H61 La3 N3 O31 P3 -","- C37 H61 La3 N3 O31 P3 -","- C74 H122 La6 N6 O62 P6 -","2","1","","Chen, Kai; Dong, Da-Peng; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Chao; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhao, Yan; Zhu, Jiang; Sun, Shou-Hui; Zheng, Ming-Jing; Tian, Hui; Chu, Wei","A series of novel lanthanide carboxyphosphonates with a 3D framework structure: synthesis, structure, and luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10948","10956","10.1039/c2dt30363a","","","0.71073","MoKα","","0.0948","0.07","","","0.1802","0.2004","","","","","","1.025","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019942","15.2095","0.0012","15.3049","0.0012","15.3698","0.0012","106.485","0.001","117.143","0.001","103.236","0.001","2770.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H61 Ce3 N3 O31 P3 -","- C37 H61 Ce3 N3 O31 P3 -","- C74 H122 Ce6 N6 O62 P6 -","2","1","","Chen, Kai; Dong, Da-Peng; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Chao; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhao, Yan; Zhu, Jiang; Sun, Shou-Hui; Zheng, Ming-Jing; Tian, Hui; Chu, Wei","A series of novel lanthanide carboxyphosphonates with a 3D framework structure: synthesis, structure, and luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10948","10956","10.1039/c2dt30363a","","","0.71073","MoKα","","0.0893","0.0672","","","0.1756","0.1953","","","","","","1.031","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019943","15.122","0.003","15.167","0.004","15.242","0.003","106.199","0.004","103.35","0.004","116.99","0.004","2717.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H61 N3 O31 P3 Pr3 -","- C37 H61 N3 O31 P3 Pr3 -","- C74 H122 N6 O62 P6 Pr6 -","2","1","","Chen, Kai; Dong, Da-Peng; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Chao; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhao, Yan; Zhu, Jiang; Sun, Shou-Hui; Zheng, Ming-Jing; Tian, Hui; Chu, Wei","A series of novel lanthanide carboxyphosphonates with a 3D framework structure: synthesis, structure, and luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10948","10956","10.1039/c2dt30363a","","","0.71073","MoKα","","0.1403","0.0752","","","0.1694","0.2131","","","","","","1.009","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019944","15.04","0.003","15.09","0.003","15.179","0.005","105.689","0.004","103.559","0.004","117.111","0.003","2682.7","1.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H61 N3 O31 P3 Sm3 -","- C37 H61 N3 O31 P3 Sm3 -","- C74 H122 N6 O62 P6 Sm6 -","2","1","","Chen, Kai; Dong, Da-Peng; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Chao; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhao, Yan; Zhu, Jiang; Sun, Shou-Hui; Zheng, Ming-Jing; Tian, Hui; Chu, Wei","A series of novel lanthanide carboxyphosphonates with a 3D framework structure: synthesis, structure, and luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10948","10956","10.1039/c2dt30363a","","","0.71073","MoKα","","0.1268","0.0709","","","0.1541","0.189","","","","","","1.036","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019945","14.976","0.004","15.08","0.004","15.116","0.005","105.192","0.004","103.772","0.004","117.338","0.004","2658.5","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H61 N3 O31 P3 Tb3 -","- C37 H61 N3 O31 P3 Tb3 -","- C74 H122 N6 O62 P6 Tb6 -","2","1","","Chen, Kai; Dong, Da-Peng; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Chao; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhao, Yan; Zhu, Jiang; Sun, Shou-Hui; Zheng, Ming-Jing; Tian, Hui; Chu, Wei","A series of novel lanthanide carboxyphosphonates with a 3D framework structure: synthesis, structure, and luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10948","10956","10.1039/c2dt30363a","","","0.71073","MoKα","","0.128","0.0698","","","0.1377","0.1661","","","","","","1.057","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019946","16.9674","0.0011","10.6721","0.0007","18.6477","0.0012","90","","90","","90","","3376.7","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H36 N3 O16 Tb -","- C29 H37 N3 O16 Tb -","- C116 H148 N12 O64 Tb4 -","4","0.5","","Wang, Xin; Yang, Yu-Lin; Wang, Ping; Li, Liang; Fan, Rui-Qing; Cao, Wen-Wu; Yang, Bin; Wang, Hui; Liu, Jing-Yao","High efficiency co-sensitized solar cell based on luminescent lanthanide complexes with pyridine-2,6-dicarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10619","10625","10.1039/c2dt30430a","","","0.71073","MoKα","","0.0538","0.0482","","","0.1211","0.1248","","","","","","0.967","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019947","16.947","0.003","10.654","0.002","18.659","0.004","90","","90","","90","","3368.9","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H36 Dy N3 O16 -","- C29 H35 Dy N3 O16 -","- C116 H140 Dy4 N12 O64 -","4","0.5","","Wang, Xin; Yang, Yu-Lin; Wang, Ping; Li, Liang; Fan, Rui-Qing; Cao, Wen-Wu; Yang, Bin; Wang, Hui; Liu, Jing-Yao","High efficiency co-sensitized solar cell based on luminescent lanthanide complexes with pyridine-2,6-dicarboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10619","10625","10.1039/c2dt30430a","","","0.71073","MoKα","","0.0476","0.0351","","","0.0887","0.0961","","","","","","0.961","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019948","11.761","0.0003","12.6977","0.0004","25.9287","0.0006","81.698","0.002","83.283","0.002","64.155","0.003","3441.96","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C137 H168 N20 O13 -","- C137 H166 N20 O13 -","- C137 H166 N20 O13 -","1","0.5","","Pathak, Rakesh Kumar; Hinge, Vijaya Kumar; Mondal, Prasenjit; Rao, Chebrolu Pulla","Ratiometric fluorescence off-on-off sensor for Cu(2+) in aqueous buffer by a lower rim triazole linked benzimidazole conjugate of calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10652","10660","10.1039/c2dt30432e","","","0.71073","MoKα","","0.1277","0.0743","","","0.2111","0.2269","","","","","","0.983","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019949","16.462","0.002","14.6853","0.0016","14.8818","0.0017","90","","90","","90","","3597.7","0.7","291","2","291","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 N9 Nd O4 W -","- C10 H10 N9 Nd O4 W -","- C80 H80 N72 Nd8 O32 W8 -","8","","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.0498","0.0307","","","0.0489","0.0514","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019950","16.4652","0.0015","14.4351","0.0014","14.8544","0.0019","90","","90","","90","","3530.5","0.7","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 Eu N9 O4 W -","- C10 H10 Eu N9 O4 W -","- C80 H80 Eu8 N72 O32 W8 -","8","","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.052","0.0379","","","0.0952","0.1023","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019951","16.4265","0.0018","14.3441","0.0016","14.8343","0.0012","90","","90","","90","","3495.3","0.6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 Gd N9 O4 W -","- C10 H10 Gd N9 O4 W -","- C80 H80 Gd8 N72 O32 W8 -","8","","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.0488","0.0348","","","0.1049","0.1123","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019952","11.1891","0.0006","11.1891","0.0006","14.0286","0.0014","90","","90","","90","","1756.3","0.2","291","2","291","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H10 Ce N8 O5 W -","- C8 H10 Ce N8 O5 W -","- C32 H40 Ce4 N32 O20 W4 -","4","0.25","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.0315","0.0161","","","0.0616","0.0755","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019953","16.5021","0.0015","14.435","0.002","14.8641","0.0012","90","","90","","90","","3540.7","0.7","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 N9 O4 Sm W -","- C10 H10 N9 O4 Sm W -","- C80 H80 N72 O32 Sm8 W8 -","8","","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.0446","0.0335","","","0.0827","0.0859","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019954","8.8565","0.0002","12.1571","0.0003","13.2983","0.0003","90","","90","","90","","1431.82","0.06","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl3 N O Te -","- C11 H12 Cl3 N O Te -","- C44 H48 Cl12 N4 O4 Te4 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.0329","0.0264","","","0.0484","0.0497","","","","","","0.967","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019955","7.5355","0.0003","12.8672","0.0004","15.3557","0.0005","90","","90","","90","","1488.9","0.09","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br3 N O Te -","- C11 H12 Br3 N O Te -","- C44 H48 Br12 N4 O4 Te4 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.092","0.0582","","","0.0964","0.106","","","","","","1.041","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019956","7.791","0.0001","13.6338","0.0002","15.5148","0.0002","90","","90","","90","","1648","0.04","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 I3 N O Te -","- C11 H12 I3 N O Te -","- C44 H48 I12 N4 O4 Te4 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.0319","0.0248","","","0.0447","0.0459","","","","","","1.019","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019957","11.6722","0.0003","6.9965","0.0002","15.7268","0.0005","90","","106.463","0.003","90","","1231.67","0.06","200","2","200","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C11 H11 Br N O Te -","- C11 H11 Br N O Te -","- C44 H44 Br4 N4 O4 Te4 -","4","0.5","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.0654","0.0555","","","0.1332","0.1353","","","","","","1.27","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019958","14.8602","0.0011","17.5288","0.0008","8.9476","0.0005","90","","102.74","0.007","90","","2273.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br4 O5 Te2 -","- C16 H14 Br4 O5 Te2 -","- C64 H56 Br16 O20 Te8 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.1641","0.0977","","","0.1766","0.1965","","","","","","1.047","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019959","14.7827","0.0008","12.0157","0.0005","15.8651","0.0007","90","","109.13","0.005","90","","2662.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Br2.37 Cl0.63 N Te -","- C9 H12 Br2.37 Cl0.63 N Te -","- C72 H96 Br18.96 Cl5.04 N8 Te8 -","8","2","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","1.54178","CuKα","","0.108","0.0928","","","0.2428","0.2705","","","","","","1.015","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019960","10.9657","0.0004","18.2113","0.0006","17.0576","0.0006","90","","98.181","0.001","90","","3371.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 Cl2 N2 O2 Sn -","- C33 H50 Cl2 N2 O2 Sn -","- C132 H200 Cl8 N8 O8 Sn4 -","4","1","","Piskunov, Alexandr V.; Trofimova, Olesya Yu; Fukin, Georgy K.; Ketkov, Sergei Yu; Smolyaninov, Ivan V.; Cherkasov, Vladimir K.","Tin(iv) and lead(iv) complexes with a tetradentate redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10970","10979","10.1039/c2dt30656e","","","0.71073","MoKα","","0.0523","0.0321","","","0.0674","0.0725","","","","","","1","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019961","16.2139","0.0005","25.775","0.0008","18.4703","0.0005","90","","103.896","0.001","90","","7493.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 N2 O2 Sn -","- C38 H60 N2 O2 Sn -","- C304 H480 N16 O16 Sn8 -","8","2","","Piskunov, Alexandr V.; Trofimova, Olesya Yu; Fukin, Georgy K.; Ketkov, Sergei Yu; Smolyaninov, Ivan V.; Cherkasov, Vladimir K.","Tin(iv) and lead(iv) complexes with a tetradentate redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10970","10979","10.1039/c2dt30656e","","","0.71073","MoKα","","0.0362","0.0284","","","0.068","0.0711","","","","","","1.064","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019962","10.1974","0.0003","13.8984","0.0004","15.4418","0.0004","69.386","0.001","80.317","0.001","89.593","0.001","2016","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H54 Cl2 N2 O2 Pb -","- C43 H54 Cl2 N2 O2 Pb -","- C86 H108 Cl4 N4 O4 Pb2 -","2","1","","Piskunov, Alexandr V.; Trofimova, Olesya Yu; Fukin, Georgy K.; Ketkov, Sergei Yu; Smolyaninov, Ivan V.; Cherkasov, Vladimir K.","Tin(iv) and lead(iv) complexes with a tetradentate redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10970","10979","10.1039/c2dt30656e","","","0.71073","MoKα","","0.0216","0.02","","","0.0513","0.0519","","","","","","1.068","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019963","28.0789","0.0016","28.1344","0.0013","14.2827","0.0006","90","","90","","90","","11283.1","1","133","2","133","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C77 H109 Mn6 N8 O49 Yb3 -","- C77 H90 Mn6 N7 O40 Yb3 -","- C308 H360 Mn24 N28 O160 Yb12 -","4","1","","Zheng, Yong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Stepwise assembly of homochiral coordination polymers based on the precursor of an enantiopure Yb(3)Mn(6) cluster.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10518","10520","10.1039/c2dt30667k","","","0.71073","MoKα","","0.0543","0.0435","","","0.102","0.1081","","","","","","1.039","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019964","28.2738","0.0004","28.2738","0.0004","79.4732","0.0015","90","","90","","120","","55019.9","1.5","123","2","123","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C180 H244 Mn12 N18 O98 Yb6 -","- C174 H190 Mn12 N16 O74 Yb6 -","- C1566 H1710 Mn108 N144 O666 Yb54 -","9","0.5","","Zheng, Yong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Stepwise assembly of homochiral coordination polymers based on the precursor of an enantiopure Yb(3)Mn(6) cluster.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10518","10520","10.1039/c2dt30667k","","","0.71073","MoKα","","0.0678","0.0478","","","0.1158","0.1268","","","","","","0.999","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019965","16.5333","0.0012","17.6488","0.0013","19.2093","0.0014","70.299","0.001","77.521","0.001","63.806","0.001","4720.1","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- H86 K20 Na2 O182 Si4 W36 Zn12 -","- H14 K20 Na2 O182 Si4 W36 Zn12 -","- H14 K20 Na2 O182 Si4 W36 Zn12 -","1","0.5","","Zhu, Guibo; Geletii, Yurii V.; Zhao, Chongchao; Musaev, Djamaladdin G.; Song, Jie; Hill, Craig L.","A dodecanuclear Zn cluster sandwiched by polyoxometalate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9908","9913","10.1039/c2dt30733b","","","0.71073","MoKα","","0.0574","0.0469","","","0.131","0.1372","","","","","","1.053","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019966","12.365","0.005","15.11","0.005","16.998","0.005","107.701","0.005","107.64","0.005","95","0.005","2826.4","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Cu2 Mo8 N16 O35 -","- C30 H36 Cu2 Mo8 N16 O35 -","- C60 H72 Cu4 Mo16 N32 O70 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Inorganic-organic hybrid compounds based on octamolybdates and multidentate N-donor ligand: syntheses, structures, photoluminescence and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11062","11073","10.1039/c2dt30755c","","","0.71069","MoKα","","0.0774","0.0412","","","0.0647","0.0756","","","","","","0.99","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019967","9.864","0.005","14.652","0.005","18.636","0.005","90","","97.586","0.005","90","","2669.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cu Mo4 N8 O15 -","- C15 H16 Cu Mo4 N8 O15 -","- C60 H64 Cu4 Mo16 N32 O60 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Inorganic-organic hybrid compounds based on octamolybdates and multidentate N-donor ligand: syntheses, structures, photoluminescence and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11062","11073","10.1039/c2dt30755c","","","0.71069","MoKα","","0.0434","0.0308","","","0.0624","0.0677","","","","","","1.019","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019968","7.265","0.005","10.517","0.005","16.411","0.005","96.04","0.005","93.62","0.005","95.753","0.005","1237.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Co Mo8 N16 O28 -","- C30 H30 Co Mo8 N16 O28 -","- C30 H30 Co Mo8 N16 O28 -","1","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Inorganic-organic hybrid compounds based on octamolybdates and multidentate N-donor ligand: syntheses, structures, photoluminescence and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11062","11073","10.1039/c2dt30755c","","","0.71069","MoKα","","0.0431","0.0316","","","0.0646","0.0709","","","","","","1.047","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019969","7.274","0.005","10.523","0.005","16.408","0.005","96.036","0.005","93.633","0.005","95.758","0.005","1239.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo8 N16 O28 Zn -","- C30 H30 Mo8 N16 O28 Zn -","- C30 H30 Mo8 N16 O28 Zn -","1","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Inorganic-organic hybrid compounds based on octamolybdates and multidentate N-donor ligand: syntheses, structures, photoluminescence and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11062","11073","10.1039/c2dt30755c","","","0.71069","MoKα","","0.0395","0.03","","","0.0622","0.0677","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019970","24.542","0.005","10.375","0.005","22.112","0.005","90","","96.971","0.005","90","","5589","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Mo4 N8 Ni O16.5 -","- C15 H19 Mo4 N8 Ni O16.5 -","- C120 H152 Mo32 N64 Ni8 O132 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Inorganic-organic hybrid compounds based on octamolybdates and multidentate N-donor ligand: syntheses, structures, photoluminescence and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11062","11073","10.1039/c2dt30755c","","","0.71069","MoKα","","0.0486","0.0364","","","0.0772","0.0835","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019971","9.927","0.005","10.396","0.005","14.448","0.005","70.569","0.005","81.363","0.005","62.203","0.005","1243.8","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Ag Mo4 N8 O13 -","- C15 H13 Ag Mo4 N8 O13 -","- C30 H26 Ag2 Mo8 N16 O26 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Inorganic-organic hybrid compounds based on octamolybdates and multidentate N-donor ligand: syntheses, structures, photoluminescence and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11062","11073","10.1039/c2dt30755c","","","0.71069","MoKα","","0.0471","0.0327","","","0.067","0.0748","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019972","11.7841","0.001","12.0352","0.0012","14.532","0.003","101.582","0.002","111.507","0.002","93.569","0.002","1857.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H90 Mn2 N12 O24 Y4 -","- C54 H82 Mn2 N12 O24 Y4 -","- C54 H82 Mn2 N12 O24 Y4 -","1","0.5","","Xie, Qi-Wei; Cui, Ai-Li; Tao, Jun; Kou, Hui-Zhong","Syntheses, structure, and magnetic properties of hexanuclear Mn(III)(2)M(III)(4) (M = Y, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10589","10595","10.1039/c2dt30785e","","","0.71073","MoKα","","0.1644","0.0768","","","0.1844","0.2833","","","","","","1.055","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019973","11.8167","0.0014","12.019","0.0014","14.57","0.0017","101.724","0.003","111.523","0.003","93.206","0.003","1865.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H90 Gd4 Mn2 N12 O24 -","- C54 H82 Gd4 Mn2 N12 O24 -","- C54 H82 Gd4 Mn2 N12 O24 -","1","0.5","","Xie, Qi-Wei; Cui, Ai-Li; Tao, Jun; Kou, Hui-Zhong","Syntheses, structure, and magnetic properties of hexanuclear Mn(III)(2)M(III)(4) (M = Y, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10589","10595","10.1039/c2dt30785e","","","0.71073","MoKα","","0.0901","0.0554","","","0.1235","0.1523","","","","","","1.05","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019974","11.7884","0.0005","11.9961","0.0006","14.5876","0.0006","101.876","0.002","111.543","0.001","93.304","0.002","1857.51","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H90 Mn2 N12 O24 Tb4 -","- C54 H84 Mn2 N12 O24 Tb4 -","- C54 H84 Mn2 N12 O24 Tb4 -","1","0.5","","Xie, Qi-Wei; Cui, Ai-Li; Tao, Jun; Kou, Hui-Zhong","Syntheses, structure, and magnetic properties of hexanuclear Mn(III)(2)M(III)(4) (M = Y, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10589","10595","10.1039/c2dt30785e","","","0.71073","MoKα","","0.0478","0.0389","","","0.099","0.1079","","","","","","1.072","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019975","11.7766","0.001","12.0196","0.0012","14.569","0.0014","101.719","0.003","111.565","0.002","93.299","0.003","1858","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H90 Dy4 Mn2 N12 O24 -","- C54 H82 Dy4 Mn2 N12 O24 -","- C54 H82 Dy4 Mn2 N12 O24 -","1","0.5","","Xie, Qi-Wei; Cui, Ai-Li; Tao, Jun; Kou, Hui-Zhong","Syntheses, structure, and magnetic properties of hexanuclear Mn(III)(2)M(III)(4) (M = Y, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10589","10595","10.1039/c2dt30785e","","","0.71073","MoKα","","0.0613","0.0454","","","0.1364","0.1555","","","","","","1.083","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019976","10.644","0.004","5.1233","0.0019","10.309","0.003","90","","106.622","0.01","90","","538.7","0.3","93","2","93","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","TG27","","","- Ge H14.77 N4 O8.38 P2 -","- Ge H14 N4 O8.38 P2 -","- Ge2 H28 N8 O16.76 P4 -","2","0.25","","Wang, Wei; Li, Yang; Liu, Lei; Dong, Jinxiang","The first ionothermal synthesis of a germanium phosphate with one-dimensional chain-like structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10511","10513","10.1039/c2dt30805c","","","0.71073","MoKα","","0.0182","0.0176","","","0.0503","0.0509","","","","","","1.16","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019977","19.9487","0.0018","12.1594","0.0013","20.182","0.002","90","","107.802","0.003","90","","4661","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 Co2 I2 N25 O4 -","- C26 H39 Co2 I2 N25 O4 -","- C104 H156 Co8 I8 N100 O16 -","4","0.5","","Wang, Gao-Feng; Song, Xiao-Jiao; Chen, Fei; Li, Yi-Zhi; Chen, Xue-Tai; Xue, Zi-Ling","Formation of stable iron/cobalt NHC complexes via unexpected ring opening and in situ generation of a tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10919","10922","10.1039/c2dt30894k","","","0.71073","MoKα","","0.0632","0.0511","","","0.0945","0.0986","","","","","","1.034","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019978","7.555","0.003","25.707","0.011","11.485","0.005","90","","93.827","0.006","90","","2225.6","1.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Fe I N12 O3 -","- C12 H20 Fe I N12 O3 -","- C48 H80 Fe4 I4 N48 O12 -","4","1","","Wang, Gao-Feng; Song, Xiao-Jiao; Chen, Fei; Li, Yi-Zhi; Chen, Xue-Tai; Xue, Zi-Ling","Formation of stable iron/cobalt NHC complexes via unexpected ring opening and in situ generation of a tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10919","10922","10.1039/c2dt30894k","","","0.71073","MoKα","","0.0791","0.0542","","","0.1384","0.1498","","","","","","1.04","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019979","11.6055","0.0017","12.6303","0.0013","12.6377","0.0019","98.823","0.001","95.409","0.002","97.55","0.001","1802.2","0.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H45 F6 Fe N13 O2 P -","- C26 H45 F6 Fe N13 O2 P -","- C52 H90 F12 Fe2 N26 O4 P2 -","2","1","","Wang, Gao-Feng; Song, Xiao-Jiao; Chen, Fei; Li, Yi-Zhi; Chen, Xue-Tai; Xue, Zi-Ling","Formation of stable iron/cobalt NHC complexes via unexpected ring opening and in situ generation of a tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10919","10922","10.1039/c2dt30894k","","","0.71073","MoKα","","0.0909","0.0546","","","0.103","0.1094","","","","","","1.08","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019980","8.6334","0.0012","8.7729","0.0013","14.2422","0.0014","78.27","0.002","74.95","0.003","75.447","0.002","997.2","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 Cl2 Fe N12 O2 -","- C13 H20 Cl2 Fe N12 O2 -","- C26 H40 Cl4 Fe2 N24 O4 -","2","1","","Wang, Gao-Feng; Song, Xiao-Jiao; Chen, Fei; Li, Yi-Zhi; Chen, Xue-Tai; Xue, Zi-Ling","Formation of stable iron/cobalt NHC complexes via unexpected ring opening and in situ generation of a tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10919","10922","10.1039/c2dt30894k","","","0.71073","MoKα","","0.0732","0.0562","","","0.1171","0.1214","","","","","","1.054","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019981","25.8523","0.0014","17.022","0.0014","13.9949","0.0009","90","","110.317","0.002","90","","5775.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Co N4 O10 -","- C26 H32 Co N4 O10 -","- C208 H256 Co8 N32 O80 -","8","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.033","0.0296","","","0.079","0.0833","","","","","","0.979","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019982","11.8673","0.0006","11.8673","0.0006","18.2622","0.0018","90","","90","","90","","2571.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Co N4 O8 -","- C26 H26 Co N4 O8 -","- C104 H104 Co4 N16 O32 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.0337","0.0272","","","0.0497","0.051","","","","","","0.942","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019983","11.956","0.005","18.701","0.007","12.306","0.005","90","","90","","90","","2751.5","1.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H27 Co N5 O10 -","- C26 H27 Co N5 O10 -","- C104 H108 Co4 N20 O40 -","4","0.5","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.0849","0.0473","","","0.1062","0.1235","","","","","","1.035","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019984","10.1841","0.001","8.8838","0.0009","26.289","0.003","90","","91.837","0.002","90","","2377.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu N4 O6 -","- C26 H24 Cu N4 O6 -","- C104 H96 Cu4 N16 O24 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.0499","0.0334","","","0.0781","0.0851","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019985","15.9732","0.0011","10.8896","0.0007","28.4659","0.0019","90","","94.716","0.001","90","","4934.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cu N4 O6 -","- C26 H24 Cu N4 O6 -","- C208 H192 Cu8 N32 O48 -","8","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.0651","0.0435","","","0.1118","0.1218","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019986","8.5553","0.001","8.8213","0.0011","20.35","0.003","95.18","0.002","96.444","0.002","117.107","0.002","1341","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H56 Cu2 N8 O20 -","- C54 H55 Cu2 N8 O20 -","- C54 H55 Cu2 N8 O20 -","1","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.096","0.0575","","","0.1088","0.1243","","","","","","0.993","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019987","6.1088","0.0004","20.6761","0.0015","16.9831","0.0011","90","","106.878","0.002","90","","2052.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Co3 N4 O22 -","- C36 H42 Co3 N4 O22 -","- C72 H84 Co6 N8 O44 -","2","0.5","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.0561","0.0378","","","0.0921","0.1002","","","","","","1.052","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019988","18.0824","0.0002","14.75579","0.00017","16.3179","0.0002","90","","96.2061","0.0013","90","","4328.43","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl La2 N2 O12 -","- C46 H37 Cl La2 N2 O12 -","- C184 H148 Cl4 La8 N8 O48 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0351","0.0241","","","0.0581","0.0597","","","","","","1.009","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019989","18.0206","0.0003","14.8154","0.0002","16.1806","0.0003","90","","96.0266","0.0014","90","","4296.06","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Ce2 Cl N2 O12 -","- C46 H37 Ce2 Cl N2 O12 -","- C184 H148 Ce8 Cl4 N8 O48 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0376","0.0269","","","0.0634","0.0662","","","","","","1.022","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019990","17.961","0.0002","14.81098","0.00016","16.1045","0.0002","90","","95.7691","0.0011","90","","4262.42","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl N2 O12 Pr2 -","- C46 H37 Cl N2 O12 Pr2 -","- C184 H148 Cl4 N8 O48 Pr8 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0382","0.0279","","","0.0709","0.0733","","","","","","1.046","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019991","17.9082","0.0004","14.8189","0.0003","16.0623","0.0004","90","","95.729","0.002","90","","4241.32","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl N2 Nd2 O12 -","- C46 H37 Cl N2 Nd2 O12 -","- C184 H148 Cl4 N8 Nd8 O48 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0353","0.0252","","","0.065","0.0672","","","","","","1.049","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019992","17.8177","0.0004","14.8107","0.0003","15.9935","0.0004","90","","95.176","0.002","90","","4203.36","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl N2 O12 Sm2 -","- C46 H37 Cl N2 O12 Sm2 -","- C184 H148 Cl4 N8 O48 Sm8 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.047","0.0351","","","0.0836","0.0876","","","","","","1.031","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019993","17.7876","0.0002","14.81893","0.00016","15.94964","0.00019","90","","94.9429","0.0011","90","","4188.58","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl Eu2 N2 O12 -","- C46 H37 Cl Eu2 N2 O12 -","- C184 H148 Cl4 Eu8 N8 O48 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0342","0.0258","","","0.0691","0.0711","","","","","","1.066","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019994","17.7374","0.0003","14.7992","0.0003","15.9201","0.0003","90","","94.7447","0.0017","90","","4164.69","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl Gd2 N2 O12 -","- C46 H37 Cl Gd2 N2 O12 -","- C184 H148 Cl4 Gd8 N8 O48 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0315","0.0247","","","0.0656","0.0679","","","","","","1.048","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019995","17.6908","0.0005","14.8181","0.0005","15.8924","0.0005","90","","94.582","0.003","90","","4152.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl N2 O12 Tb2 -","- C46 H37 Cl N2 O12 Tb2 -","- C184 H148 Cl4 N8 O48 Tb8 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0435","0.0316","","","0.0767","0.0799","","","","","","1.053","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019996","17.66597","0.00018","14.78124","0.00014","15.84149","0.00016","90","","94.3097","0.0009","90","","4124.91","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl Dy2 N2 O12 -","- C46 H37 Cl Dy2 N2 O12 -","- C184 H148 Cl4 Dy8 N8 O48 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0354","0.0245","","","0.0617","0.0638","","","","","","1.018","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019997","17.6148","0.0005","14.7818","0.0005","15.8066","0.0005","90","","94.043","0.003","90","","4105.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl Ho2 N2 O12 -","- C46 H37 Cl Ho2 N2 O12 -","- C184 H148 Cl4 Ho8 N8 O48 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0577","0.0381","","","0.1104","0.1162","","","","","","1.06","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019998","17.6322","0.0006","14.7719","0.0004","15.7947","0.0004","90","","94.131","0.003","90","","4103.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl Er2 N2 O12 -","- C46 H37 Cl Er2 N2 O12 -","- C184 H148 Cl4 Er8 N8 O48 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0394","0.0275","","","0.0721","0.0751","","","","","","1.029","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7019999","17.6892","0.0003","14.7676","0.0004","15.84","0.0004","90","","94.1242","0.0019","90","","4127.12","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl N2 O12 Y2 -","- C46 H37 Cl N2 O12 Y2 -","- C184 H148 Cl4 N8 O48 Y8 -","4","1","","Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying","Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10576","10584","10.1039/c2dt30944k","","","0.71073","MoKα","","0.0808","0.0443","","","0.0945","0.099","","","","","","1.073","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7020000","13.874","0.003","24.062","0.005","18.647","0.004","90","","92.854","0.004","90","","6217","2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H120 Cu8 Eu2 Ge2 N20 O101 W22 -","- C20 H80 Cu8 Eu2 Ge2 N20 O101 W22 -","- C40 H160 Cu16 Eu4 Ge4 N40 O202 W44 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Li, Yanzhou; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel polyoxometalate hybrids consisting of copper-lanthanide heterometallic/lanthanide germanotungstate fragments.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10740","10751","10.1039/c2dt30949a","","","0.71073","MoKα","","0.0786","0.0429","","","0.0756","0.0794","","","","","","1.021","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020001","13.771","0.009","23.905","0.016","18.536","0.013","90","","92.87","0.013","90","","6094","7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H120 Cu8 Ge2 N20 O101 Tb2 W22 -","- C20 H80 Cu8 Ge2 N20 O101 Tb2 W22 -","- C40 H160 Cu16 Ge4 N40 O202 Tb4 W44 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Li, Yanzhou; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel polyoxometalate hybrids consisting of copper-lanthanide heterometallic/lanthanide germanotungstate fragments.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10740","10751","10.1039/c2dt30949a","","","0.71073","MoKα","","0.1124","0.0594","","","0.1017","0.1074","","","","","","0.983","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020002","13.957","0.007","24.115","0.012","18.694","0.009","90","","93.164","0.008","90","","6282","5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H118 Cu8 Dy2 Ge2 N20 O100 W22 -","- C20 H80 Cu8 Dy2 Ge2 N20 O100 W22 -","- C40 H160 Cu16 Dy4 Ge4 N40 O200 W44 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Li, Yanzhou; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel polyoxometalate hybrids consisting of copper-lanthanide heterometallic/lanthanide germanotungstate fragments.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10740","10751","10.1039/c2dt30949a","","","0.71073","MoKα","","0.0684","0.0534","","","0.1328","0.1409","","","","","","1.028","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020003","22.995","0.007","19.848","0.006","26.438","0.009","90","","92.429","0.007","90","","12056","7","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H202 Cu9 Ge4 La2 N36 Na2 O182 W44 -","- C36 H144 Cu9 Ge4 La2 N36 Na2 O182 W44 -","- C72 H288 Cu18 Ge8 La4 N72 Na4 O364 W88 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Li, Yanzhou; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel polyoxometalate hybrids consisting of copper-lanthanide heterometallic/lanthanide germanotungstate fragments.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10740","10751","10.1039/c2dt30949a","","","0.71073","MoKα","","0.1272","0.0683","","","0.1549","0.1863","","","","","","1.043","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020004","23.046","0.003","20.377","0.003","26.318","0.004","90","","94.774","0.003","90","","12316","3","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H218 Cu10 Ge4 K4 N40 O184 Pr2 W44 -","- C40 H160 Cu10 Ge4 K4 N40 O184 Pr2 W44 -","- C80 H320 Cu20 Ge8 K8 N80 O368 Pr4 W88 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Li, Yanzhou; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel polyoxometalate hybrids consisting of copper-lanthanide heterometallic/lanthanide germanotungstate fragments.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10740","10751","10.1039/c2dt30949a","","","0.71073","MoKα","","0.0809","0.046","","","0.0945","0.1026","","","","","","1.051","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020005","17.545","0.003","24.176","0.005","24.666","0.005","90","","103.843","0.004","90","","10159","3","296","2","296","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C26 H151 Cu5 Er2 Ge4 K N26 Na2 O173 W44 -","- C26 H110 Cu5 Er2 Ge4 K N26 Na2 O173 W44 -","- C52 H220 Cu10 Er4 Ge8 K2 N52 Na4 O346 W88 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Li, Yanzhou; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel polyoxometalate hybrids consisting of copper-lanthanide heterometallic/lanthanide germanotungstate fragments.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10740","10751","10.1039/c2dt30949a","","","0.71073","MoKα","","0.0738","0.0481","","","0.0848","0.0886","","","","","","1.054","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020006","8.283","0.002","13.376","0.003","11.202","0.002","90","","96.499","0.003","90","","1233.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 N4 O6 Pd -","- C8 H14 N4 O6 Pd -","- C32 H56 N16 O24 Pd4 -","4","1","","Gao, Enjun; Lin, Lin; Liu, Lei; Zhu, Mingchang; Wang, Bo; Gao, Xianan","Two new palladium(ii) complexes: synthesis, characterization and their interaction with HeLa cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11187","11194","10.1039/c2dt30990d","","","0.71073","MoKα","","0.0209","0.0198","","","0.0522","0.053","","","","","","1.124","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020007","7.2309","0.0005","12.1884","0.0009","14.6252","0.0011","103.874","0.001","94.038","0.001","93.776","0.001","1243.69","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N3 O6 Pd -","- C9 H15 N3 O6 Pd -","- C36 H60 N12 O24 Pd4 -","4","2","","Gao, Enjun; Lin, Lin; Liu, Lei; Zhu, Mingchang; Wang, Bo; Gao, Xianan","Two new palladium(ii) complexes: synthesis, characterization and their interaction with HeLa cells.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11187","11194","10.1039/c2dt30990d","","","0.71073","MoKα","","0.0341","0.0282","","","0.0734","0.0798","","","","","","1.04","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020008","13.8087","0.0007","14.3169","0.0007","26.6346","0.0014","93.887","0.003","98.29","0.003","97.087","0.003","5151.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H132 Cl6 N16 O4 S7 -","- C86 H132 Cl6 N16 O4 S7 -","- C172 H264 Cl12 N32 O8 S14 -","2","1","","Basu, Arghya; Das, Gopal","Encapsulation of divalent tetrahedral oxyanions of sulfur within the rigidified dimeric capsular assembly of a tripodal receptor: first crystallographic evidence of thiosulfate encapsulation within neutral receptor capsule.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10792","10802","10.1039/c2dt30999h","","","0.71073","MoKα","","0.2527","0.0984","","","0.2438","0.299","","","","","","1.173","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020009","13.7854","0.0014","25.836","0.003","48.851","0.005","90","","95.818","0.006","90","","17309","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H100 Cl6 N16 O3 S8 -","- C70 H100 Cl6 N16 O3 S8 -","- C560 H800 Cl48 N128 O24 S64 -","8","1","","Basu, Arghya; Das, Gopal","Encapsulation of divalent tetrahedral oxyanions of sulfur within the rigidified dimeric capsular assembly of a tripodal receptor: first crystallographic evidence of thiosulfate encapsulation within neutral receptor capsule.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10792","10802","10.1039/c2dt30999h","","","0.71073","MoKα","","0.1951","0.0945","","","0.2616","0.3113","","","","","","1.062","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020010","6.3371","0.0004","7.9665","0.0005","11.7247","0.0007","96.6","0.004","90.728","0.004","93.281","0.003","586.92","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cl N3 O5 Ru -","- C8 H8 Cl N3 O5 Ru -","- C16 H16 Cl2 N6 O10 Ru2 -","2","1","","Oresmaa, Larisa; Tarvainen, Heli; Machal, Kalle; Haukka, Matti","Ruthenium imidazole oxime carbonyls and their activities as CO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11170","11175","10.1039/c2dt31002c","","","0.71073","MoKα","","0.0444","0.0324","","","0.0651","0.0692","","","","","","1.076","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020011","25.5552","0.0014","7.0665","0.0003","13.5134","0.0008","90","","91.267","0.002","90","","2439.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Cl N3 O5 Ru -","- C8 H8 Cl N3 O5 Ru -","- C64 H64 Cl8 N24 O40 Ru8 -","8","1","","Oresmaa, Larisa; Tarvainen, Heli; Machal, Kalle; Haukka, Matti","Ruthenium imidazole oxime carbonyls and their activities as CO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11170","11175","10.1039/c2dt31002c","","","0.71073","MoKα","","0.0369","0.0294","","","0.0638","0.0667","","","","","","1.074","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020012","6.8943","0.0003","7.7902","0.0004","13.9622","0.0009","74.761","0.005","89.253","0.005","63.954","0.004","645.49","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Cl N3 O5 Ru -","- C9 H10 Cl N3 O5 Ru -","- C18 H20 Cl2 N6 O10 Ru2 -","2","1","","Oresmaa, Larisa; Tarvainen, Heli; Machal, Kalle; Haukka, Matti","Ruthenium imidazole oxime carbonyls and their activities as CO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11170","11175","10.1039/c2dt31002c","","","0.71073","MoKα","","0.0362","0.0236","","","0.0402","0.0427","","","","","","1.053","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020013","6.9755","0.0004","7.5555","0.0003","13.8032","0.0008","80.139","0.003","86.396","0.002","65.436","0.003","651.83","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Cl N3 O5 Ru -","- C9 H10 Cl N3 O5 Ru -","- C18 H20 Cl2 N6 O10 Ru2 -","2","1","","Oresmaa, Larisa; Tarvainen, Heli; Machal, Kalle; Haukka, Matti","Ruthenium imidazole oxime carbonyls and their activities as CO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11170","11175","10.1039/c2dt31002c","","","0.71073","MoKα","","0.0382","0.0294","","","0.0597","0.0625","","","","","","1.096","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020014","8.6104","0.0004","10.8098","0.0005","12.1232","0.0006","84.991","0.002","86.171","0.004","69.282","0.003","1050.61","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl3 N3 O8 Ru2 -","- C12 H10 Cl3 N3 O8 Ru2 -","- C24 H20 Cl6 N6 O16 Ru4 -","2","1","","Oresmaa, Larisa; Tarvainen, Heli; Machal, Kalle; Haukka, Matti","Ruthenium imidazole oxime carbonyls and their activities as CO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11170","11175","10.1039/c2dt31002c","","","0.71069","MoKα","","0.0624","0.0342","","","0.056","0.0628","","","","","","1.029","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020015","9.888","0.0003","11.9657","0.0003","14.068","0.0004","86.702","0.001","77.54","0.001","89.604","0.001","1622.56","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cu2 N10 O4 Zn -","- C34 H32 Cu2 N10 O4 Zn -","- C68 H64 Cu4 N20 O8 Zn2 -","2","1","","Das, Lakshmi Kanta; Park, Sung-Woo; Cho, Seung Joo; Ghosh, Ashutosh","An unprecedented ""linear-bent"" isomerism in tri-nuclear Cu(2)(II)Zn(II) complexes with a salen type di-Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11009","11017","10.1039/c2dt31011b","","","0.71073","MoKα","","0.0574","0.043","","","0.1181","0.1285","","","","","","1.049","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020016","9.453","0.005","11.123","0.005","15.869","0.005","90","0.005","102.039","0.005","90","0.005","1631.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu2 N10 O4 Zn -","- C34 H32 Cu2 N10 O4 Zn -","- C68 H64 Cu4 N20 O8 Zn2 -","2","0.5","","Das, Lakshmi Kanta; Park, Sung-Woo; Cho, Seung Joo; Ghosh, Ashutosh","An unprecedented ""linear-bent"" isomerism in tri-nuclear Cu(2)(II)Zn(II) complexes with a salen type di-Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11009","11017","10.1039/c2dt31011b","","","0.71073","MoKα","","0.0516","0.0309","","","0.0744","0.0813","","","","","","1.042","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020017","9.689","0.002","14.871","0.003","14.223","0.003","90","","99.352","0.003","90","","2022.1","0.7","90","0.1","90","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C47 H38 Cl2 O4 P2 Ru -","- C47 H38 Cl2 O4 P2 Ru -","- C94 H76 Cl4 O8 P4 Ru2 -","2","0.5","","Wu, Adam; Patrick, Brian O.; Chung, Enoch; James, Brian R.","Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11093","11106","10.1039/c2dt31065a","","","0.71073","MoKα","","0.0363","0.0313","","","0.0806","0.0831","","","","","","1.042","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020018","11.3989","0.0006","35.6883","0.0019","12.4658","0.0007","90","","116.645","0.001","90","","4532.6","0.4","100","0.2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 O6 P2 Ru -","- C56 H44 O6 P2 Ru -","- C224 H176 O24 P8 Ru4 -","4","1","","Wu, Adam; Patrick, Brian O.; Chung, Enoch; James, Brian R.","Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11093","11106","10.1039/c2dt31065a","","","0.71073","MoKα","","0.0655","0.0444","","","0.1014","0.1091","","","","","","1.127","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020019","5.451","0.0003","15.0943","0.0009","18.1232","0.001","90","","93.661","0.002","90","","1488.12","0.15","90","0.1","90","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","2","","Wu, Adam; Patrick, Brian O.; Chung, Enoch; James, Brian R.","Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11093","11106","10.1039/c2dt31065a","","","1.54178","CuKα","","0.0346","0.0344","","","0.09","0.0902","","","","","","1.026","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020020","17.647","0.004","38.343","0.008","11.412","0.002","90","","91.182","0.004","90","","7720","3","90","0.1","90","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H38 O4 P2 Ru -","- C49 H38 O4 P2 Ru -","- C392 H304 O32 P16 Ru8 -","8","2","","Wu, Adam; Patrick, Brian O.; Chung, Enoch; James, Brian R.","Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11093","11106","10.1039/c2dt31065a","","","0.71073","MoKα","","0.1242","0.1021","","","0.231","0.2425","","","","","","1.264","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020021","13.036","0.006","15.566","0.006","26.445","0.011","90","","91.082","0.005","90","","5365","4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H114 K4 N10 Np4 O28 -","- C98 H114 K4 N10 Np4 O28 -","- C196 H228 K8 N20 Np8 O56 -","2","0.5","","Copping, Roy; Mougel, Victor; Den Auwer, Christophe; Berthon, Claude; Moisy, Philippe; Mazzanti, Marinella","A tetrameric neptunyl(v) cluster supported by a Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10900","10902","10.1039/c2dt31072d","","","0.71073","MoKα","","0.0818","0.0426","","","0.079","0.0911","","","","","","0.989","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020022","11.702","0.002","16.02","0.003","20.25","0.004","90","","100.585","0.002","90","","3731.6","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H42 Cl2 Fe8 O20 S4 -","- C69 H42 Cl2 Fe8 O20 S4 -","- C138 H84 Cl4 Fe16 O40 S8 -","2","0.5","","Zhao, Jia; Wei, Zhenhong; Zeng, Xianghua; Liu, Xiaoming","Three diiron complexes bearing an aromatic ring as mimics of the diiron subunit of [FeFe]-hydrogenase: synthesis, electron transfer and coupled chemical reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11125","11133","10.1039/c2dt31083j","","","0.71073","MoKα","","0.0589","0.0403","","","0.123","0.1405","","","","","","1.017","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020023","5.48867","0.00006","5.47895","0.00006","25.10591","0.00025","90","","90","","90","","754.989","0.014","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Bi2.5 K0.25 Na0.25 Nb2 O9 -","- Bi2.5 K0.25 Na0.25 Nb2 O9 -","- Bi10 K Na Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing","Effect of lanthanum substitution at A site on structure and enhanced properties of new Aurivillius oxide K(0.25)Na(0.25)La(0.5)Bi(2)Nb(2)O(9).","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11046","11054","10.1039/c2dt31085f","powder diffraction","","1.5406","CuKα1","","","0.0543","","","","0.0708","","","1.43","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020024","5.50468","0.0001","5.49217","0.0001","25.05108","0.00035","90","","90","","90","","757.36","0.02","298","","298","","","","","","","","","6","A 21 a m","A -2 2a","36","","","","- Bi2 K0.25 La0.5 Na0.25 Nb2 O9 -","- Bi1.9998 K0.25 La0.5 Na0.2501 Nb2 O9 -","- Bi7.9992 K La2 Na1.0004 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing","Effect of lanthanum substitution at A site on structure and enhanced properties of new Aurivillius oxide K(0.25)Na(0.25)La(0.5)Bi(2)Nb(2)O(9).","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11046","11054","10.1039/c2dt31085f","powder diffraction","","1.5406","CuKα1","","","0.0551","","","","0.0729","","","1.45","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020025","10.578","0.002","15.821","0.003","12.253","0.003","90","","94.73","0.03","90","","2043.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 Fe N3 -","- C27 H19 Fe N3 -","- C108 H76 Fe4 N12 -","4","1","","Wu, Kai-Qiang; Guo, Jian; Yan, Jian-Feng; Xie, Li-Li; Xu, Feng-Bo; Bai, Sha; Nockemann, Peter; Yuan, Yao-Feng","Ruthenium(ii) bis(terpyridine) electron transfer complexes with alkynyl-ferrocenyl bridges: synthesis, structures, and electrochemical and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11000","11008","10.1039/c2dt31091k","","","0.71073","MoKα","","0.0919","0.0857","","","0.2251","0.2369","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020026","11.203","0.003","21.278","0.008","18.403","0.006","90","","107.325","0.01","90","","4188","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Fe2 N6 O -","- C54 H38 Fe2 N6 O -","- C216 H152 Fe8 N24 O4 -","4","1","","Wu, Kai-Qiang; Guo, Jian; Yan, Jian-Feng; Xie, Li-Li; Xu, Feng-Bo; Bai, Sha; Nockemann, Peter; Yuan, Yao-Feng","Ruthenium(ii) bis(terpyridine) electron transfer complexes with alkynyl-ferrocenyl bridges: synthesis, structures, and electrochemical and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11000","11008","10.1039/c2dt31091k","","","0.71073","MoKα","","0.0678","0.0479","","","0.1275","0.1418","","","","","","0.892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020027","11.5395","0.0018","14.248","0.003","14.5284","0.0017","75.654","0.013","78.072","0.008","77.71","0.019","2231.1","0.7","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C100 H92 N12 O12 S4 -","4","2","","Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Maneiro, Marcelino; Fernández-García, M Isabel; Zaragoza, Guillermo; Bermejo, Manuel R.","Versatile coordination behaviour of an asymmetric half-salen ligand bearing a dansyl fluorophore.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10832","10844","10.1039/c2dt31093g","","x-ray","1.5418","CuKα","","0.1078","0.051","","","0.1338","0.1566","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020028","11.3061","0.0011","11.4223","0.0019","12.998","0.003","67.06","0.014","80.5","0.01","77.41","0.008","1502.7","0.5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H39 N3 Ni O8 S -","- C29 H39 N3 Ni O8 S -","- C58 H78 N6 Ni2 O16 S2 -","2","1","","Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Maneiro, Marcelino; Fernández-García, M Isabel; Zaragoza, Guillermo; Bermejo, Manuel R.","Versatile coordination behaviour of an asymmetric half-salen ligand bearing a dansyl fluorophore.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10832","10844","10.1039/c2dt31093g","","x-ray","1.54184","Cukα","","0.0741","0.0592","","","0.1558","0.1685","","","","","","1.016","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020029","9.8609","0.0011","11.5049","0.0013","14.1875","0.0016","98.616","0.002","103.423","0.002","94.643","0.002","1536.7","0.3","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H28 Cl3 Cu N3 O4 S2 -","- C28 H28 Cl3 Cu N3 O4 S2 -","- C56 H56 Cl6 Cu2 N6 O8 S4 -","2","1","","Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Maneiro, Marcelino; Fernández-García, M Isabel; Zaragoza, Guillermo; Bermejo, Manuel R.","Versatile coordination behaviour of an asymmetric half-salen ligand bearing a dansyl fluorophore.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10832","10844","10.1039/c2dt31093g","","x-ray","0.71073","MoKα","","0.0645","0.0434","","","0.1108","0.1165","","","","","","1.066","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020030","19.4209","0.0005","22.3669","0.0005","23.7524","0.0006","90","","94.373","0.001","90","","10287.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H101 N17 O14 S4 Zn5 -","- C110 H101 N17 O14 S4 Zn5 -","- C440 H404 N68 O56 S16 Zn20 -","4","1","","Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Maneiro, Marcelino; Fernández-García, M Isabel; Zaragoza, Guillermo; Bermejo, Manuel R.","Versatile coordination behaviour of an asymmetric half-salen ligand bearing a dansyl fluorophore.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10832","10844","10.1039/c2dt31093g","","x-ray","0.7107","MoKα","","0.0871","0.0469","","","0.0922","0.1017","","","","","","0.967","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020031","8.7654","0.0013","12.5139","0.0019","16.216","0.002","92.087","0.003","96.528","0.003","101.086","0.003","1731.1","0.4","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C64 H78 Cd2 N6 O12 S6 -","- C64 H78 Cd2 N6 O12 S6 -","- C64 H78 Cd2 N6 O12 S6 -","1","0.5","","Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Maneiro, Marcelino; Fernández-García, M Isabel; Zaragoza, Guillermo; Bermejo, Manuel R.","Versatile coordination behaviour of an asymmetric half-salen ligand bearing a dansyl fluorophore.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10832","10844","10.1039/c2dt31093g","","x-ray","0.7107","MoKα","","0.1009","0.0478","","","0.0913","0.1129","","","","","","1.07","","","","has coordinates,has disorder","288178","2023-12-08","09:51:08",""
"7020032","69.52","0.014","21.69","0.004","38.66","0.008","90","","111.43","0.03","90","","54265","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Gd14(CO3)13(ccnm)9(OH)(H2O)6(phen)13(NO3)](CO3)2.5(phen)0.5","[Gd14(CO3)13(ccnm)9(OH)(H2O)6(phen)13(NO3)](CO3)2.5(phen)0.5","","- C202 H139 Gd14 N55 O67 -","- C202 H126 Gd14 N55 O67 -","- C1616 H1008 Gd112 N440 O536 -","8","1","","Chesman, Anthony S. R.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.","Tetradecanuclear polycarbonatolanthanoid clusters: Diverse coordination modes of carbonate providing access to novel core geometries.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10903","10909","10.1039/c2dt31101a","","","0.77343","synchrotron","","0.0444","0.0421","","","0.1245","0.1265","","","","","","1.048","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020033","70.91","0.014","22.072","0.004","39.35","0.008","90","","112.57","0.03","90","","56871","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Dy14(CO3)13(ccnm)10(OH)(H2O)6(phen)13](phen).5","[Dy14(CO3)13(ccnm)10(OH)(H2O)6(phen)13](phen).5","","- C205 H141 Dy14 N57 O66 -","- C205 H128 Dy14 N57 O66 -","- C1640 H1024 Dy112 N456 O528 -","8","1","","Chesman, Anthony S. R.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.","Tetradecanuclear polycarbonatolanthanoid clusters: Diverse coordination modes of carbonate providing access to novel core geometries.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10903","10909","10.1039/c2dt31101a","","","0.77371","synchrotron","","0.0671","0.0562","","","0.162","0.1691","","","","","","1.046","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020034","16.8753","0.0014","8.0175","0.0007","11.2187","0.0009","90","","90","","90","","1517.9","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N5 O5 -","- C15 H13 N5 O5 -","- C60 H52 N20 O20 -","4","1","","Chen, Xiao-Chun; Tao, Tao; Wang, Yin-Ge; Peng, Yu-Xin; Huang, Wei; Qian, Hui-Fen","Azo-hydrazone tautomerism observed from UV-vis spectra by pH control and metal-ion complexation for two heterocyclic disperse yellow dyes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11107","11115","10.1039/c2dt31102j","","","0.71073","MoKα","","0.0646","0.0446","","","0.0945","0.0995","","","","","","0.894","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020035","6.4252","0.0005","13.5443","0.0011","19.5352","0.0016","90","","105.364","0.001","90","","1639.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N5 O5 -","- C16 H15 N5 O5 -","- C64 H60 N20 O20 -","4","1","","Chen, Xiao-Chun; Tao, Tao; Wang, Yin-Ge; Peng, Yu-Xin; Huang, Wei; Qian, Hui-Fen","Azo-hydrazone tautomerism observed from UV-vis spectra by pH control and metal-ion complexation for two heterocyclic disperse yellow dyes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11107","11115","10.1039/c2dt31102j","","","0.71073","MoKα","","0.0444","0.036","","","0.1032","0.1079","","","","","","1.099","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020036","11.654","0.001","12.926","0.001","13.271","0.001","76.991","0.001","72.708","0.001","65.931","0.001","1730.4","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 Cu2 N20 O20 -","- C64 H56 Cu2 N20 O20 -","- C64 H56 Cu2 N20 O20 -","1","0.5","","Chen, Xiao-Chun; Tao, Tao; Wang, Yin-Ge; Peng, Yu-Xin; Huang, Wei; Qian, Hui-Fen","Azo-hydrazone tautomerism observed from UV-vis spectra by pH control and metal-ion complexation for two heterocyclic disperse yellow dyes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11107","11115","10.1039/c2dt31102j","","","0.71073","MoKα","","0.0653","0.0498","","","0.1376","0.1443","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020037","5.4162","0.0003","7.9373","0.0004","9.3034","0.0004","84.198","0.003","73.305","0.003","71.229","0.003","362.7","0.03","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- Cs2 Cu3 F4 O12 P4 -","- Cs2 Cu3 F4 O12 P4 -","- Cs2 Cu3 F4 O12 P4 -","1","1","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0944","0.0685","","","0.1353","0.1539","","","","","","1.141","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020038","9.0219","0.0005","6.2059","0.0004","14.328","0.0007","90","","90","","90","","802.21","0.08","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cs Cu2 F3 O6 P2 -","- Cs Cu2 F3 O6 P2 -","- Cs4 Cu8 F12 O24 P8 -","4","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0935","0.0627","","","0.1091","0.1244","","","","","","1.166","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020039","6.1709","0.0003","9.2647","0.0004","9.6755","0.0004","64.084","0.003","73.977","0.002","73.464","0.003","469.52","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu3 F3 O9 P3 -","- Cu3 F3 O9 P3 -","- Cu6 F6 O18 P6 -","2","1","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.1393","0.0991","","","0.2145","0.2431","","","","","","1.071","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020040","11.2834","0.0004","5.1073","0.0002","11.4099","0.0005","90","","105.211","0.003","90","","634.49","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu3 F4 K2 O12 P4 -","- Cu3 F4 K2 O12 P4 -","- Cu6 F8 K4 O24 P8 -","2","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0857","0.0546","","","0.1043","0.1183","","","","","","0.966","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020041","18.972","0.0007","7.4973","0.0004","7.7663","0.0003","90","","103.629","0.002","90","","1073.56","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F4 K O10 P3 -","- Cu3 F4 K O10 P3 -","- Cu12 F16 K4 O40 P12 -","4","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0625","0.0463","","","0.0932","0.1011","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020042","15.7149","0.0012","4.7342","0.0003","9.4993","0.0005","90","","99.705","0.004","90","","696.61","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu2 F2 Na2 O7 P2 -","- Cu2 F2 Na2 O7 P2 -","- Cu8 F8 Na8 O28 P8 -","4","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0362","0.0315","","","0.0786","0.0833","","","","","","0.824","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020043","7.7491","0.0004","9.4344","0.0005","9.2186","0.0004","90","","95.186","0.004","90","","671.2","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu3 F4 O12 P4 Rb2 -","- Cu3 F4 O12 P4 Rb2 -","- Cu6 F8 O24 P8 Rb4 -","2","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0559","0.042","","","0.0818","0.09","","","","","","1.008","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020044","19.0898","0.0005","7.5722","0.0003","7.8191","0.0002","90","","103.683","0.002","90","","1098.19","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F6 O8 P3 Rb -","- Cu3 F4 O10 P3 Rb -","- Cu12 F16 O40 P12 Rb4 -","4","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0293","0.0255","","","0.0671","0.072","","","","","","0.608","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020045","5.7913","0.0002","9.6085","0.0003","16.3303","0.0005","90.428","0.002","94.283","0.002","99.977","0.002","892.28","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H16 Cu3 F4 N2 O12 P4 -","- C4 H14 Cu3 F4 N2 O12 P4 -","- C8 H28 Cu6 F8 N4 O24 P8 -","2","1","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.12","0.0719","","","0.1381","0.1589","","","","","","1.104","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020046","6.352","0.003","10.146","0.005","11.602","0.005","71.9","0.02","78.96","0.03","77.06","0.02","686.6","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C4 H12 Cu2 F5 N2 O8 P3 -","- C4 H12 Cu2 F5 N2 O8 P3 -","- C8 H24 Cu4 F10 N4 O16 P6 -","2","2","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71075","MoKα","","0.1463","0.09","","","0.1976","0.2581","","","","","","0.921","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020047","10.9501","0.0004","10.8176","0.0003","6.1008","0.0002","90","","100.6","0.002","90","","710.33","0.04","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cu2 F4 N2 O6 P2 -","- C6 H16 Cu2 F4 N2 O6 P2 -","- C12 H32 Cu4 F8 N4 O12 P4 -","2","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0743","0.0587","","","0.1386","0.1487","","","","","","1.052","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020048","7.8246","0.0007","9.494","0.0008","9.1169","0.0008","90","","94.87","0.005","90","","674.82","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cu3 F4 H8 N2 O12 P4 -","- Cu3 F4 H8 N2 O12 P4 -","- Cu6 F8 H16 N4 O24 P8 -","2","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0779","0.0552","","","0.1163","0.132","","","","","","0.912","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020049","19.0802","0.0006","7.6023","0.0002","7.8054","0.0002","90","","103.789","0.002","90","","1099.57","0.05","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F4 H6 N O10 P3 -","- Cu3 F4 N O10 P3 -","- Cu12 F16 N4 O40 P12 -","4","0.5","","Williams, Edward R.; Morris, Samuel A.; Weller, Mark T.","Copper(ii) fluorophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10845","10853","10.1039/c2dt31131c","","","0.71073","MoKα","","0.0353","0.0306","","","0.0721","0.0746","","","","","","1.077","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020050","11.148","0.003","7.071","0.002","14.751","0.014","90","","104.23","0.03","90","","1127.1","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cu N6 O6 -","- C7 H6 Cu N6 O6 -","- C28 H24 Cu4 N24 O24 -","4","1","","Cañellas, Pablo; Bauzá, Antonio; García-Raso, Angel; Fiol, Juan J.; Deyà, Pere M; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11161","11169","10.1039/c2dt31162c","","x-ray","0.71073","MoKα","","0.0572","0.03","","","0.0742","0.0834","","","","","","1.011","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020051","9.013","0.004","6.214","0.002","9.527","0.006","90","","116.29","0.04","90","","478.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 Cl2 Cu N4 -","- C7 H6 Cl2 Cu N4 -","- C14 H12 Cl4 Cu2 N8 -","2","0.5","","Cañellas, Pablo; Bauzá, Antonio; García-Raso, Angel; Fiol, Juan J.; Deyà, Pere M; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11161","11169","10.1039/c2dt31162c","","x-ray","0.71073","MoKα","","0.0288","0.0235","","","0.0655","0.0684","","","","","","1.095","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020052","8.161","0.002","10.756","0.004","11.284","0.005","90","","93.29","0.04","90","","988.9","0.6","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cu N10 O8 -","- C14 H16 Cu N10 O8 -","- C28 H32 Cu2 N20 O16 -","2","0.5","","Cañellas, Pablo; Bauzá, Antonio; García-Raso, Angel; Fiol, Juan J.; Deyà, Pere M; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11161","11169","10.1039/c2dt31162c","","x-ray","0.71073","MoKα","","0.0535","0.0357","","","0.0913","0.0986","","","","","","1.058","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020053","20.563","0.003","7.157","0.004","18.26","0.003","90","","135.21","0.03","90","","1893.2","1.5","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N10 O7 -","- C14 H14 Cu N10 O7 -","- C56 H56 Cu4 N40 O28 -","4","0.5","","Cañellas, Pablo; Bauzá, Antonio; García-Raso, Angel; Fiol, Juan J.; Deyà, Pere M; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11161","11169","10.1039/c2dt31162c","","x-ray","0.71073","MoKα","","0.0508","0.0382","","","0.0987","0.1041","","","","","","1.118","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020054","9.8871","0.0012","11.9597","0.0015","7.3885","0.0009","90","","105.144","0.002","90","","843.33","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Co N O6 -","- C7 H7 Co N O6 -","- C28 H28 Co4 N4 O24 -","4","0.5","","Cheansirisomboon, Achareeya; Pakawatchai, Chaveng; Youngme, Sujittra","2D-1D structural phase transformation of Co(ii) 3,5-pyridinedicarboxylate frameworks with chromotropism.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10698","10706","10.1039/c2dt31183f","","","0.71073","MoKα","","0.0317","0.0305","","","0.0756","0.0762","","","","","","1.224","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7020055","11.378","0.0008","7.0973","0.0006","14.7445","0.0012","90","","107.424","0.004","90","","1136.03","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Co N O9 -","- C7 H13 Co N O9 -","- C28 H52 Co4 N4 O36 -","4","1","","Cheansirisomboon, Achareeya; Pakawatchai, Chaveng; Youngme, Sujittra","2D-1D structural phase transformation of Co(ii) 3,5-pyridinedicarboxylate frameworks with chromotropism.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10698","10706","10.1039/c2dt31183f","","","0.71073","MoKα","","0.0433","0.0296","","","0.0888","0.1044","","","","","","1.077","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7020056","11.631","0.0013","6.7457","0.0008","11.9584","0.0013","90","","96.587","0.001","90","","932.05","0.18","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O2 Sn -","- C20 H19 Cl N2 O2 Sn -","- C40 H38 Cl2 N4 O4 Sn2 -","2","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0251","0.0226","","","0.047","0.048","","","","","","1.031","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020057","15.182","0.0014","15.182","0.0014","23.151","0.002","90","","90","","90","","5336.1","0.8","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C24 H27 F6 N2 O3 Sb Sn -","- C24 H28 F6 N2 O3 Sb Sn -","- C192 H224 F48 N16 O24 Sb8 Sn8 -","8","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0587","0.0583","","","0.1342","0.1344","","","","","","1.074","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020058","15.106","0.004","15.498","0.004","22.757","0.006","90","","90","","90","","5328","2","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 F6 N4 O12 S2 Sn2 -","- C50 H54 F6 N4 O12 S2 Sn2 -","- C200 H216 F24 N16 O48 S8 Sn8 -","4","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0672","0.062","","","0.1746","0.1776","","","","","","1.079","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020059","15.2143","0.0009","15.2143","0.0009","23.8249","0.0015","90","","90","","90","","5514.9","0.6","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C25 H29 F6 N2 O3 Sb Sn -","- C25 H28 F6 N2 O3 Sb Sn -","- C200 H224 F48 N16 O24 Sb8 Sn8 -","8","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.035","0.032","","","0.0735","0.0751","","","","","","1.04","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020060","15.2892","0.0013","15.2892","0.0013","23.565","0.003","90","","90","","90","","5508.5","1","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C26 H29 F3 N2 O6 S Sn -","- C26 H28 F3 N2 O6 S Sn -","- C208 H224 F24 N16 O48 S8 Sn8 -","8","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0374","0.0345","","","0.0786","0.0807","","","","","","1.1","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020061","15.0665","0.0012","15.0665","0.0012","23.9834","0.0019","90","","90","","90","","5444.2","0.7","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C25 H29 F6 Ge N2 O3 Sb -","- C25 H28 F6 Ge N2 O3 Sb -","- C200 H224 F48 Ge8 N16 O24 Sb8 -","8","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0433","0.0391","","","0.0898","0.0925","","","","","","1.08","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020062","14.9107","0.0012","15.3498","0.0012","23.7808","0.0018","90","","90","","90","","5442.9","0.7","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H58 F6 Ge2 N4 O12 S2 -","- C52 H58 F6 Ge2 N4 O12 S2 -","- C208 H232 F24 Ge8 N16 O48 S8 -","4","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0737","0.0626","","","0.1666","0.1736","","","","","","1.067","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020063","5.7898","0.0003","14.9314","0.0007","7.0531","0.0003","90","","101.949","0.003","90","","596.53","0.05","233","2","233","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","barium 5,5-azoxybistetrazolate pentahydrate","","","- C2 H10 Ba N10 O6 -","- C2 H10 Ba N10 O6 -","- C4 H20 Ba2 N20 O12 -","2","0.5","","Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig","5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11201","11211","10.1039/c2dt31217d","","","0.71073","MoKα","","0.0177","0.0169","","","0.0392","0.0395","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020064","7.2189","0.0006","7.6977","0.0005","11.9774","0.0009","82.844","0.005","81.99","0.004","68.294","0.004","610.41","0.08","233","2","233","2","","","","","","","","5","P -1","-P 1","2","disodium 5,5-azoxybistetrazolate pentahydrate","","","- C2 H10 N10 Na2 O6 -","- C2 H10 N10 Na2 O6 -","- C4 H20 N20 Na4 O12 -","2","1","","Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig","5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11201","11211","10.1039/c2dt31217d","","","0.71073","MoKα","","0.0524","0.0474","","","0.1117","0.1149","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020065","4.708","0.001","7.429","0.001","7.483","0.001","102.21","0.01","107.68","0.01","106.78","0.01","225.54","0.07","233","2","233","2","","","","","","","","4","P -1","-P 1","2","diammonium 5,5-azoxybistetrazolate","","","- C2 H8 N12 O -","- C2 H8 N12 O -","- C2 H8 N12 O -","1","0.5","","Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig","5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11201","11211","10.1039/c2dt31217d","","","0.71073","MoKα","","0.053","0.0476","","","0.1186","0.124","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020066","8.0709","0.0006","22.2329","0.0015","6.7382","0.0006","90","","102.014","0.007","90","","1182.62","0.16","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dihydroxylammonium 5,5-azoxy-tetrazolate dihydrate","dihydroxylammonium 5,5-azoxy-tetrazolate dihydrate","","- C2 H12 N12 O5 -","- C2 H12 N12 O5 -","- C8 H48 N48 O20 -","4","1","","Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig","5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11201","11211","10.1039/c2dt31217d","","","0.71073","MoKα","","0.0813","0.0386","","","0.0675","0.0738","","","","","","0.809","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020067","6.6702","0.0005","10.088","0.0008","12.7314","0.0011","68.218","0.008","84.845","0.007","76.76","0.007","774.36","0.12","173","2","173","","","","","","","","","4","P -1","-P 1","2","bisdiaminoguanidinium 5,5-azoxy-tetrazolate monohydrate","bisdiaminoguanidinium 5,5-azoxy-tetrazolate monohydrate","","- C4 H18 N20 O2 -","- C4 H18 N20 O2 -","- C8 H36 N40 O4 -","2","1","","Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig","5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11201","11211","10.1039/c2dt31217d","","","0.71073","MoKα","","0.0512","0.0427","","","0.101","0.1075","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020068","13.0674","0.001","6.8891","0.0007","24.3334","0.0018","90","","104.661","0.007","90","","2119.2","0.3","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diaminouronium 5,5-azoxytetrazolete tetrahydrate","diaminouronium 5,5-azoxytetrazolete tetrahydrate","","- C5 H18 N24 O7 -","- C5 H18 N24 O7 -","- C20 H72 N96 O28 -","4","1","","Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig","5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11201","11211","10.1039/c2dt31217d","","","0.71073","MoKα","","0.0659","0.0409","","","0.0816","0.0936","","","","","","1.022","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020069","51.562","0.003","9.5377","0.0005","24.8064","0.0012","90","","97.8577","0.0013","90","","12084.8","1.1","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H54 Cd Cl2 N7 O9.5 -","- C69 H53 Cd Cl2 N7 O9.5 -","- C552 H424 Cd8 Cl16 N56 O76 -","8","1","","Lee, Young Hoon; Kubota, Emi; Fuyuhiro, Akira; Kawata, Satoshi; Harrowfield, Jack M.; Kim, Yang; Hayami, Shinya","Synthesis, structure and luminescence properties of Cu(ii), Zn(ii) and Cd(ii) complexes with 4'-terphenylterpyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10825","10831","10.1039/c2dt31245j","","","0.71075","MoKα","","","0.075","","","","0.2335","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020070","21.9482","0.0006","11.5584","0.0003","22.0597","0.0007","90","","102.347","0.001","90","","5466.8","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H46 Cl2 Cu N6 O8 -","- C67 H50 Cl2 Cu N6 O9 -","- C268 H200 Cl8 Cu4 N24 O36 -","4","1","","Lee, Young Hoon; Kubota, Emi; Fuyuhiro, Akira; Kawata, Satoshi; Harrowfield, Jack M.; Kim, Yang; Hayami, Shinya","Synthesis, structure and luminescence properties of Cu(ii), Zn(ii) and Cd(ii) complexes with 4'-terphenylterpyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10825","10831","10.1039/c2dt31245j","","","0.71075","MoKα","","","0.044","","","","0.1173","","","","","","1.064","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020071","50.398","0.01","9.378","0.0016","24.62","0.005","90","","96.442","0.005","90","","11563","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H53 Cl2 N7 O9 Zn -","- C69 H53 Cl2.5 N7 O11.5 Zn -","- C552 H424 Cl20 N56 O92 Zn8 -","8","1","","Lee, Young Hoon; Kubota, Emi; Fuyuhiro, Akira; Kawata, Satoshi; Harrowfield, Jack M.; Kim, Yang; Hayami, Shinya","Synthesis, structure and luminescence properties of Cu(ii), Zn(ii) and Cd(ii) complexes with 4'-terphenylterpyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10825","10831","10.1039/c2dt31245j","","","0.71075","MoKα","","","0.0986","","","","0.3286","","","","","","1.223","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020072","11.61","0.002","12.28","0.002","19.439","0.004","88.83","0.02","82.82","0.02","87.01","0.02","2745.7","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Gross-36 (Atif)","","","- C51 H10 Cl8 Co F15 N6 O0.5 -","- C51 H10 Cl8 Co F15 N6 O0.5 -","- C102 H20 Cl16 Co2 F30 N12 O -","2","1","","Mahammed, Atif; Botoshansky, Mark; Gross, Zeev","Chlorinated corroles.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10938","10940","10.1039/c2dt31261a","","","0.71073","MoKα","","0.1146","0.0662","","","0.193","0.2261","","","","","","0.847","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020073","29.62","0.006","61.5","0.012","5.32","0.0011","90","","90","","90","","9691","3","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H36 N14 O24 P4 Zn3 -","- C36 H36 N14 O24 P4 Zn3 -","- C288 H288 N112 O192 P32 Zn24 -","8","0.5","","Fu, Zhiyong; Song, Desheng; Zeng, Yu; Liao, Shijun; Dai, Jingcao","A layered zinc phosphate decorated with organic fluorophores for selective luminescent sensing of metal cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10910","10912","10.1039/c2dt31276j","","","0.71073","MoKα","","0.0529","0.0511","","","0.1387","0.1408","","","","","","1.06","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020074","7.7995","0.0011","12.886","0.002","14.7283","0.0018","90","","92.352","0.009","90","","1479","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 B10 Co -","- C9 H21 B10 Co -","- C36 H84 B40 Co4 -","4","1","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.0638","0.0427","","","0.1145","0.1227","","","","","","0.999","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020075","8.6343","0.0013","8.7434","0.0013","11.5125","0.0017","73.643","0.007","77.594","0.007","61.496","0.006","729.51","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H21 B10 Co -","- C9 H21 B10 Co -","- C18 H42 B20 Co2 -","2","1","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.0513","0.0343","","","0.0682","0.0743","","","","","","1.051","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020076","9.0371","0.0014","9.1006","0.0014","15.247","0.002","76.49","0.007","73.913","0.007","67.729","0.007","1103.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H32 B10 Cl2 Ru -","- C15 H32 B10 Cl2 Ru -","- C30 H64 B20 Cl4 Ru2 -","2","1","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.0261","0.023","","","0.0526","0.0538","","","","","","1.036","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020077","8.5142","0.0008","25.954","0.002","9.0339","0.0009","90","","105.539","0.004","90","","1923.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 B10 Ru -","- C14 H30 B10 Ru -","- C56 H120 B40 Ru4 -","4","1","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.027","0.023","","","0.0503","0.0517","","","","","","1.088","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020078","16.4108","0.0018","14.9438","0.0017","24.393","0.003","90","","90","","90","","5982.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H21 B10 Co -","- C9 H21 B10 Co -","- C144 H336 B160 Co16 -","16","2","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.1162","0.0626","","","0.1264","0.1436","","","","","","1.064","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020079","15.2177","0.0007","12.1849","0.0006","7.948","0.0004","90","","90","","90","","1473.77","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H21 B10 Co -","- C9 H21 B10 Co -","- C36 H84 B40 Co4 -","4","1","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.0752","0.0463","","","0.1053","0.1208","","","","","","1.033","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020080","8.466","0.0004","16.2912","0.0007","14.285","0.0007","90","","98.898","0.002","90","","1946.49","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 B10 Ru -","- C14 H30 B10 Ru -","- C56 H120 B40 Ru4 -","4","1","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.056","0.0333","","","0.0722","0.0882","","","","","","1.059","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020081","7.7273","0.0005","40.58","0.003","12.9049","0.0008","90","","107.026","0.001","90","","3869.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cr N2 O4 S -","- C19 H18 Cr N2 O4 S -","- C152 H144 Cr8 N16 O32 S8 -","8","2","","Cedillo-Cruz, Alberto; Ortega-Alfaro, M Carmen; López-Cortés, José G; Alfredo Toscano, Rubén; Penieres-Carrillo, J Guillermo; Alvarez-Toledano, Cecilio","Synthesis of Fischer type-carbene complexes containing a coordinated thioimidate structural motif.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10568","10575","10.1039/c2dt31297b","","","0.71073","MoKα","","0.0906","0.0601","","","0.1228","0.1373","","","","","","1.039","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020082","10.2093","0.001","11.8162","0.0012","17.9539","0.0018","90","","106.325","0.001","90","","2078.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O4 S W -","- C19 H20 N2 O4 S W -","- C76 H80 N8 O16 S4 W4 -","4","1","","Cedillo-Cruz, Alberto; Ortega-Alfaro, M Carmen; López-Cortés, José G; Alfredo Toscano, Rubén; Penieres-Carrillo, J Guillermo; Alvarez-Toledano, Cecilio","Synthesis of Fischer type-carbene complexes containing a coordinated thioimidate structural motif.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10568","10575","10.1039/c2dt31297b","","","0.71073","MoKα","","0.0463","0.0339","","","0.0757","0.0811","","","","","","1.05","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020083","10.8734","0.0013","13.4239","0.0016","20.206","0.002","90","","100.224","0.002","90","","2902.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O4 S W -","- C31 H28 N2 O4 S W -","- C124 H112 N8 O16 S4 W4 -","4","1","","Cedillo-Cruz, Alberto; Ortega-Alfaro, M Carmen; López-Cortés, José G; Alfredo Toscano, Rubén; Penieres-Carrillo, J Guillermo; Alvarez-Toledano, Cecilio","Synthesis of Fischer type-carbene complexes containing a coordinated thioimidate structural motif.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10568","10575","10.1039/c2dt31297b","","","0.71073","MoKα","","0.0606","0.041","","","0.0709","0.0766","","","","","","1.037","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020084","3.7128","0.0003","11.7806","0.0008","19.9856","0.0014","90","","92.925","0.002","90","","873.01","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N3 O2 -","- C10 H7 N3 O2 -","- C40 H28 N12 O8 -","4","1","","de Bettencourt-Dias, Ana; Bauer, Sebastian; Viswanathan, Subha; Maull, Brandi C.; Ako, Ayuk M.","Unusual nitro-coordination of europium(iii) and terbium(iii) with pyridinyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11212","11218","10.1039/c2dt31308a","","","0.71073","MoKα","","0.0393","0.0338","","","0.0987","0.1056","","","","","","0.915","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7020085","15.1341","0.0004","13.707","0.0004","18.8277","0.0005","90","","90","","90","","3905.68","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Eu N7 O11 -","- C15 H10 Eu N7 O11 -","- C120 H80 Eu8 N56 O88 -","8","1","","de Bettencourt-Dias, Ana; Bauer, Sebastian; Viswanathan, Subha; Maull, Brandi C.; Ako, Ayuk M.","Unusual nitro-coordination of europium(iii) and terbium(iii) with pyridinyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11212","11218","10.1039/c2dt31308a","","","0.71073","MoKα","","0.0381","0.0298","","","0.074","0.0823","","","","","","1.078","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020086","15.125","0.003","13.776","0.003","18.716","0.004","90","","90","","90","","3899.7","1.4","293","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N7 O11 Tb -","- C15 H10 N7 O11 Tb -","- C120 H80 N56 O88 Tb8 -","8","1","","de Bettencourt-Dias, Ana; Bauer, Sebastian; Viswanathan, Subha; Maull, Brandi C.; Ako, Ayuk M.","Unusual nitro-coordination of europium(iii) and terbium(iii) with pyridinyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11212","11218","10.1039/c2dt31308a","","","0.71073","MoKα","","0.0311","0.0273","","","0.0959","0.1025","","","","","","0.876","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020087","11.067","0.002","11.633","0.002","12.772","0.003","110.94","0.03","97.49","0.03","91.42","0.03","1518.1","0.6","96","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Eu2 F12 N12 O18 S4 -","- C44 H40 Eu2 F12 N12 O18 S4 -","- C44 H40 Eu2 F12 N12 O18 S4 -","1","0.5","","de Bettencourt-Dias, Ana; Bauer, Sebastian; Viswanathan, Subha; Maull, Brandi C.; Ako, Ayuk M.","Unusual nitro-coordination of europium(iii) and terbium(iii) with pyridinyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11212","11218","10.1039/c2dt31308a","","","0.71073","MoKα","","0.0234","0.0223","","","0.0538","0.0544","","","","","","1.025","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020088","11.0023","0.001","18.907","0.002","17.5374","0.0014","90","","105.272","0.005","90","","3519.3","0.6","143","","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H31 Cl4 P2 Rh -","- C39.5 H31 Cl4 P2 Rh -","- C158 H124 Cl16 P8 Rh4 -","4","1","","Okamoto, Kazuhiro; Omoto, Yusuke; Sano, Hayato; Ohe, Kouichi","Alkyne-coordinating tridentate ligands: structural properties and reactivity of their rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10926","10929","10.1039/c2dt31322g","","","0.7107","MoKα","","","0.0385","","","","0.0956","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020089","11.81","0.004","12.102","0.004","13.653","0.004","66.667","0.009","72.108","0.011","86.21","0.014","1701.7","1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 Cl2 P4 Rh2 -","- C88 H68 Cl2 P4 Rh2 -","- C88 H68 Cl2 P4 Rh2 -","1","0.5","","Okamoto, Kazuhiro; Omoto, Yusuke; Sano, Hayato; Ohe, Kouichi","Alkyne-coordinating tridentate ligands: structural properties and reactivity of their rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10926","10929","10.1039/c2dt31322g","","","0.7107","MoKα","","","0.0938","","","","0.2355","","","","","","1.121","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020090","11.129","0.004","14.638","0.005","15.649","0.005","98.691","0.005","90.116","0.003","112.174","0.003","2328.8","1.4","143","","143","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H44 F6 O P3 Rh -","- C53 H44 F6 O P3 Rh -","- C106 H88 F12 O2 P6 Rh2 -","2","1","","Okamoto, Kazuhiro; Omoto, Yusuke; Sano, Hayato; Ohe, Kouichi","Alkyne-coordinating tridentate ligands: structural properties and reactivity of their rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10926","10929","10.1039/c2dt31322g","","","0.7107","MoKα","","","0.0691","","","","0.2025","","","","","","1.231","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020091","7.7027","0.0001","16.6435","0.0003","12.4812","0.0002","90","","104.966","0.001","90","","1545.81","0.04","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl N Zr -","- C15 H20 Cl N Zr -","- C60 H80 Cl4 N4 Zr4 -","4","1","","Podiyanachari, Santhosh Kumar; Fröhlich, Roland; Daniliuc, Constantin G.; Petersen, Jeffrey L.; Kehr, Gerald; Erker, Gerhard; Suzuki, Noriyuki; Yuasa, Shin; Hagimori, Keita; Inoue, Shota; Asada, Takumi; Takemoto, Takahiko; Masuyama, Yoshiro","Facile formation of five-membered N-heterocyclic zirconacycloallenoids.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10811","10816","10.1039/c2dt31343j","","","0.71073","MoKα","","0.0247","0.0233","","","0.0558","0.0573","","","","","","1.078","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020092","9.0492","0.0002","14.0508","0.0004","15.8272","0.0005","90","","90","","90","","2012.4","0.1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N Si Zr -","- C20 H29 N Si Zr -","- C80 H116 N4 Si4 Zr4 -","4","1","","Podiyanachari, Santhosh Kumar; Fröhlich, Roland; Daniliuc, Constantin G.; Petersen, Jeffrey L.; Kehr, Gerald; Erker, Gerhard; Suzuki, Noriyuki; Yuasa, Shin; Hagimori, Keita; Inoue, Shota; Asada, Takumi; Takemoto, Takahiko; Masuyama, Yoshiro","Facile formation of five-membered N-heterocyclic zirconacycloallenoids.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10811","10816","10.1039/c2dt31343j","","","0.71073","MoKα","","0.0762","0.0679","","","0.1735","0.1829","","","","","","1.086","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7020093","10.5164","0.0002","11.0732","0.0002","11.14","0.0003","93.189","0.001","116.139","0.001","95.688","0.001","1151.67","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N Si Zr -","- C24 H29 N Si Zr -","- C48 H58 N2 Si2 Zr2 -","2","1","","Podiyanachari, Santhosh Kumar; Fröhlich, Roland; Daniliuc, Constantin G.; Petersen, Jeffrey L.; Kehr, Gerald; Erker, Gerhard; Suzuki, Noriyuki; Yuasa, Shin; Hagimori, Keita; Inoue, Shota; Asada, Takumi; Takemoto, Takahiko; Masuyama, Yoshiro","Facile formation of five-membered N-heterocyclic zirconacycloallenoids.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10811","10816","10.1039/c2dt31343j","","","0.71073","MoKα","","0.0439","0.04","","","0.0998","0.1039","","","","","","1.061","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020094","10.9423","0.0003","8.1961","0.0002","23.3753","0.0007","90","","102.069","0.001","90","","2050.06","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl N Ru -","- C24 H26 Cl N Ru -","- C96 H104 Cl4 N4 Ru4 -","4","1","","Li, Bin; Roisnel, Thierry; Darcel, Christophe; Dixneuf, Pierre H.","Cyclometallation of arylimines and nitrogen-containing heterocycles via room-temperature C-H bond activation with arene ruthenium(ii) acetate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10934","10937","10.1039/c2dt31401k","","x-ray","0.71073","MoKα","","0.0262","0.023","","","0.0538","0.0553","","","","","","1.032","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020095","9.2982","0.0002","9.9096","0.0002","13.0735","0.0002","100.558","0.001","109.718","0.001","97.967","0.001","1088.32","0.04","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C25 H28 Cl N O Ru -","- C25 H28 Cl N O Ru -","- C50 H56 Cl2 N2 O2 Ru2 -","2","1","","Li, Bin; Roisnel, Thierry; Darcel, Christophe; Dixneuf, Pierre H.","Cyclometallation of arylimines and nitrogen-containing heterocycles via room-temperature C-H bond activation with arene ruthenium(ii) acetate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10934","10937","10.1039/c2dt31401k","","x-ray","0.71073","MoKα","","0.0248","0.0232","","","0.056","0.0569","","","","","","1.04","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020096","9.6951","0.0004","12.6917","0.0005","13.2396","0.0006","105.571","0.002","93.391","0.002","111.398","0.002","1438.55","0.11","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C31 H48 Mg O3 -","- C31 H48 Mg O3 -","- C62 H96 Mg2 O6 -","2","1","","Day, Benjamin M.; Knowelden, William; Coles, Martyn P.","Synthetic and catalytic intermediates in a magnesium promoted Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10930","10933","10.1039/c2dt31442h","","x-ray","0.7107","MoKα","","0.0585","0.0455","","","0.113","0.122","","","","","","1.035","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020097","11.5449","0.0004","18.3542","0.0005","13.3608","0.0004","90","","100.793","0.002","90","","2781.04","0.15","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 Br2 Mg2 N4 O2 -","- C52 H86 Br2 Mg2 N4 O2 -","- C104 H172 Br4 Mg4 N8 O4 -","2","0.5","","Day, Benjamin M.; Knowelden, William; Coles, Martyn P.","Synthetic and catalytic intermediates in a magnesium promoted Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10930","10933","10.1039/c2dt31442h","","x-ray","0.71073","MoKα","","0.0793","0.0441","","","0.0828","0.0956","","","","","","1.003","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020098","14.9601","0.0006","19.0704","0.0005","19.3281","0.0006","90","","117.177","0.002","90","","4905.4","0.3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H76 Mg N2 O2 -","- C40 H62 Mg N2 O2 -","- C160 H248 Mg4 N8 O8 -","4","1","","Day, Benjamin M.; Knowelden, William; Coles, Martyn P.","Synthetic and catalytic intermediates in a magnesium promoted Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10930","10933","10.1039/c2dt31442h","","x-ray","0.71073","MoKα","","0.1337","0.082","","","0.2264","0.2539","","","","","","1.043","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020099","11.7025","0.0003","15.7522","0.0002","19.5807","0.0005","90","","93.645","0.001","90","","3602.21","0.14","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H59 Mg N3 O Si2 -","- C32 H59 Mg N3 O Si2 -","- C128 H236 Mg4 N12 O4 Si8 -","4","1","","Day, Benjamin M.; Knowelden, William; Coles, Martyn P.","Synthetic and catalytic intermediates in a magnesium promoted Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10930","10933","10.1039/c2dt31442h","","x-ray","0.7107","MoKα","","0.095","0.0593","","","0.1264","0.1425","","","","","","1.023","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020100","13.4403","0.0002","15.2099","0.0003","15.6483","0.0003","89.851","0.001","89.801","0.001","65.227","0.001","2904.51","0.09","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C61 H90 Mg N2 O3 -","- C61 H90 Mg N2 O3 -","- C122 H180 Mg2 N4 O6 -","2","1","","Day, Benjamin M.; Knowelden, William; Coles, Martyn P.","Synthetic and catalytic intermediates in a magnesium promoted Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10930","10933","10.1039/c2dt31442h","","x-ray","0.7107","MoKα","","0.0736","0.0535","","","0.149","0.1709","","","","","","0.791","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020101","20.71","0.0005","10.3621","0.0003","18.7711","0.0004","90","","107.433","0.001","90","","3843.23","0.17","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","EM247","","","- C42.59 H43.77 Cl2.82 N2 O1.59 Ru -","- C42.5983 H43.795 Cl2.803 N2 O1.29925 Ru -","- C170.393 H175.18 Cl11.212 N8 O5.197 Ru4 -","4","1","","Merino, Estíbaliz; Poli, Evelyne; Díaz, Urbano; Brunel, Daniel","Synthesis and characterization of new ruthenium N-heterocyclic carbene Hoveyda II-type complexes. Study of reactivity in ring closing metathesis reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10913","10918","10.1039/c2dt31540h","","x-ray","0.71073","MoKα","","0.033","0.0269","","","0.0622","0.065","","","","","","1.049","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020102","17.0768","0.0006","17.4168","0.0006","17.9705","0.0006","108.116","0.003","97.21","0.003","119.219","0.002","4178.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","EPH200-20","","","- C87 H93 Cl6 N6 O3.25 Ru3 -","- C87 H96 Cl6 N6 O3.25 Ru3 -","- C174 H192 Cl12 N12 O6.5 Ru6 -","2","1","","Merino, Estíbaliz; Poli, Evelyne; Díaz, Urbano; Brunel, Daniel","Synthesis and characterization of new ruthenium N-heterocyclic carbene Hoveyda II-type complexes. Study of reactivity in ring closing metathesis reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10913","10918","10.1039/c2dt31540h","","x-ray","0.71073","MoKα","","0.1415","0.0579","","","0.0919","0.1169","","","","","","1.024","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020103","7","0.0004","11.2458","0.0006","12.1356","0.0008","67.181","0.006","83.042","0.005","86.381","0.004","873.93","0.1","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Mn N O7 -","- C18 H12 Mn N O7 -","- C36 H24 Mn2 N2 O14 -","2","1","","Ward, Jonathan S.; Lynam, Jason M.; Moir, James W. B.; Sanin, David E.; Mountford, Adrian P.; Fairlamb, Ian J. S.","A therapeutically viable photo-activated manganese-based CO-releasing molecule (photo-CO-RM).","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10514","10517","10.1039/c2dt31588b","","","0.7107","MoKα","","0.0371","0.0322","","","0.0796","0.0831","","","","","","1.062","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020104","17.4416","0.0015","17.4416","0.0015","17.4416","0.0015","90","","90","","90","","5305.9","0.8","473","3","473","3","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C12 H12 Cu3 N18 -","- C12 H12 Cu3 N18 -","- C96 H96 Cu24 N144 -","8","0.0416667","","Grzywa, Maciej; Denysenko, Dmytro; Hanss, Jan; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Weil, Matthias; Volkmer, Dirk","CuN(6) Jahn-Teller centers in coordination frameworks comprising fully condensed Kuratowski-type secondary building units: phase transitions and magneto-structural correlations.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4239","4248","10.1039/c2dt12311h","powder diffraction","","1.54051","CuKα","","0.0976","0.085","","","0.1254","0.0958","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020105","11.0101","0.0006","15.4271","0.0008","15.9418","0.0008","90","","91.704","0.005","90","","2706.6","0.2","130","2","130","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","(2,9-bis(2',5'-diazahexanyl)-1,10-phenanthroline)-zinc(II) bis(hexafluorophosphate) monohydrate","","- C20 H30 F12 N6 O P2 Zn -","- C20 H30 F12 N6 O P2 Zn -","- C80 H120 F48 N24 O4 P8 Zn4 -","4","1","","García-Ramos, Juan Carlos; Toledano-Magaña, Yanis; Talavera-Contreras, Luis Gabriel; Flores-Álamo, Marcos; Ramírez-Delgado, Vanessa; Morales-León, Emmanuel; Ortiz-Frade, Luis; Gutiérrez, Anllely Grizett; Vázquez-Aguirre, Adriana; Mejía, Carmen; Carrero, Julio César; Laclette, Juan Pedro; Moreno-Esparza, Rafael; Ruiz-Azuara, Lena","Potential cytotoxic and amoebicide activity of first row transition metal compounds with 2,9-bis-(2',5'-diazahexanyl)-1,1-phenanthroline (L1).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10164","10174","10.1039/c2dt30224a","","x-ray","0.71073","MoKα","","0.0852","0.0607","","","0.1358","0.153","","","","","","1.079","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020106","8.8678","0.0002","24.4763","0.0006","12.1043","0.0004","90","","93.802","0.003","90","","2621.47","0.12","90","2","90","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","(2,9-bis(2',5'-diazahexanyl)-1,10-phenanthroline)-nickel(II) bis(hexafluorophosphate)","","- C20 H27 F12 N6 Ni P2 -","- C20 H27 F12 N6 Ni P2 -","- C80 H108 F48 N24 Ni4 P8 -","4","1","","García-Ramos, Juan Carlos; Toledano-Magaña, Yanis; Talavera-Contreras, Luis Gabriel; Flores-Álamo, Marcos; Ramírez-Delgado, Vanessa; Morales-León, Emmanuel; Ortiz-Frade, Luis; Gutiérrez, Anllely Grizett; Vázquez-Aguirre, Adriana; Mejía, Carmen; Carrero, Julio César; Laclette, Juan Pedro; Moreno-Esparza, Rafael; Ruiz-Azuara, Lena","Potential cytotoxic and amoebicide activity of first row transition metal compounds with 2,9-bis-(2',5'-diazahexanyl)-1,1-phenanthroline (L1).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10164","10174","10.1039/c2dt30224a","","x-ray","0.71073","MoKα","","0.0636","0.0445","","","0.1094","0.1161","","","","","","1.068","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020107","7.839","0.004","7.814","0.004","15.152","0.011","90","","95.15","0.04","90","","924.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis-(Triethylphosphine)dinitro-nickel(II)","","","- C12 H30 N2 Ni O4 P2 -","- C12 H30 N2 Ni O4 P2 -","- C24 H60 N4 Ni2 O8 P4 -","2","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.6945","synchrotron","","0.0494","0.0443","","","0.0929","0.0946","","","","","","1.206","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020108","7.89","0.004","7.787","0.003","15.251","0.006","90","","94.82","0.02","90","","933.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis-(Triethylphosphine)dinitro-nickel(II)","","","- C12 H30 N2 Ni O4 P2 -","- C12 H30 N1.998 Ni O3.996 P2 -","- C24 H60 N3.996 Ni2 O7.992 P4 -","2","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.6945","synchrotron","","0.0327","0.0287","","","0.0718","0.0735","","","","","","1.035","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020109","20.69","0.018","8.069","0.007","23.51","0.02","90","","90","","90","","3925","6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis-(Triphenylphosphine)dinitro-palladium(II)","","","- C38 H34 Cl4 N2 O4 P2 Pd -","- C38 H34 Cl4 N2 O4 P2 Pd -","- C152 H136 Cl16 N8 O16 P8 Pd4 -","4","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.7749","synchrotron","","0.0645","0.056","","","0.1514","0.1627","","","","","","1.007","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020110","20.629","0.01","7.985","0.004","23.339","0.012","90","","90","","90","","3844","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis-(Triphenylphosphine)dinitro-palladium(II)","","","- C38 H34 Cl4 N2 O4 P2 Pd -","- C38 H34 Cl4 N2 O4 P2 Pd -","- C152 H136 Cl16 N8 O16 P8 Pd4 -","4","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.7749","synchrotron","","0.0482","0.0391","","","0.1015","0.1089","","","","","","1.062","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020111","9.594","0.0007","9.9987","0.0007","10.1274","0.0007","111.49","0.001","90.473","0.001","115.209","0.001","802.14","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","bis-(Triphenylarsine)dinitro-palladium(II)","","","- C36 H30 As2 N2 O4 Pd -","- C36 H30 As2 N2 O4 Pd -","- C36 H30 As2 N2 O4 Pd -","1","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.7749","synchrotron","","0.0545","0.0524","","","0.1589","0.1621","","","","","","1.003","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020112","9.5967","0.0009","9.9479","0.0009","10.1121","0.0009","111.262","0.001","90.931","0.001","114.454","0.001","803.05","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","bis-(Triphenylarsine)dinitro-palladium(II)","","","- C36 H30 As2 N2 O4 Pd -","- C36 H30 As2 N2.002 O4.004 Pd -","- C36 H30 As2 N2.002 O4.004 Pd -","1","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.7749","synchrotron","","0.0397","0.0366","","","0.1032","0.1061","","","","","","1.065","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020113","20.471","0.005","7.953","0.005","23.261","0.005","90","","90","","90","","3787","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis-(Triphenylphosphine)dinitro-platinum(II)","","","- C38 H34 Cl4 N2 O4 P2 Pt -","- C38 H34 Cl4 N2 O4 P2 Pt -","- C152 H136 Cl16 N8 O16 P8 Pt4 -","4","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.7107","MoKα","","0.0728","0.0185","","","0.0298","0.0338","","","","","","0.765","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020114","13.32","0.002","15.86","0.003","23.521","0.004","74.624","0.003","76.583","0.003","75.041","0.002","4556.8","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- K10 Ni5 O88 Si2 W18 -","- K10 Ni5 O88 Si2 W18 -","- K20 Ni10 O176 Si4 W36 -","2","1","","Zhu, Guibo; Glass, Elliot N.; Zhao, Chongchao; Lv, Hongjin; Vickers, James W.; Geletii, Yurii V.; Musaev, Djamaladdin G.; Song, Jie; Hill, Craig L.","A nickel containing polyoxometalate water oxidation catalyst.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13043","13049","10.1039/c2dt30331k","","","0.71073","MoKα","","0.0926","0.0517","","","0.1292","0.1551","","","","","","1.042","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020115","19.7449","0.0003","15.9218","0.0002","35.6744","0.0006","90","","95.932","0.001","90","","11155.1","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(In(18-crown-6)(PhF)2)2(Al(OC(CF3)3)4)2.0.5PhF","[In(18-crown-6)(PhF)2]2[Al(OC(CF3)3)4]2.0.5PhF","","- C166 H141 Al4 F153 In4 O40 -","- C166 H141 Al4 F153 In4 O40 -","- C332 H282 Al8 F306 In8 O80 -","2","0.5","","Higelin, Alexander; Haber, Christoph; Meier, Stefan; Krossing, Ingo","Isolated cationic crown ether complexes of gallium(I) and indium(I).","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12011","12015","10.1039/c2dt30379e","","","0.71073","MoKα","","0.0761","0.0539","","","0.1364","0.1519","","","","","","1.036","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020116","19.7737","0.0007","15.84","0.0006","35.5352","0.0012","90","","96.0003","0.0017","90","","11069.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Ga(18-crown-6)(PhF)2)2(Al(OC(CF3)3)4)2.0.5PhF","[Ga(18-crown-6)(PhF)2]2[Al(OC(CF3)3)4]2.0.5PhF","","- C166 H141 Al4 F153 Ga4 O40 -","- C166 H141 Al4 F153 Ga4 O40 -","- C332 H282 Al8 F306 Ga8 O80 -","2","0.5","","Higelin, Alexander; Haber, Christoph; Meier, Stefan; Krossing, Ingo","Isolated cationic crown ether complexes of gallium(I) and indium(I).","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12011","12015","10.1039/c2dt30379e","","","0.71073","MoKα","","0.0949","0.0719","","","0.1861","0.2049","","","","","","1.027","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020117","8.96981","0.00005","9.18519","0.00005","14.95269","0.00007","86.2178","0.0004","76.6774","0.0004","77.1641","0.0004","1168.69","0.011","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cl4 Ir N3 -","- C21 H28 Cl4 Ir N3 -","- C42 H56 Cl8 Ir2 N6 -","2","1","","Petronilho, Ana; Rahman, Mahfujur; Woods, James A.; Al-Sayyed, Haris; Müller-Bunz, Helge; Don Macelroy, J. M.; Bernhard, Stefan; Albrecht, Martin","Photolytic water oxidation catalyzed by a molecular carbene iridium complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13074","13080","10.1039/c2dt30403a","","","0.71073","MoKα","","0.0153","0.0142","","","0.0323","0.0328","","","","","","1.038","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020118","16.315","0.005","6.425","0.005","8.559","0.005","90","","118.238","0.005","90","","790.4","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C9 H24 Cl N5 Ni O5 -","- C9 H24 Cl N5 Ni O5 -","- C18 H48 Cl2 N10 Ni2 O10 -","2","0.5","","Choubey, Somnath; Bhar, Kishalay; Chattopadhyay, Soumi; Hazra, Arpan; Maji, Tapas Kumar; Ribas, Joan; Ghosh, Barindra Kumar","First examples of two ferromagnetic end-to-end cyanate bridged 1D linear coordination polymers of nickel(II) containing an unsymmetrical diamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11551","11554","10.1039/c2dt30429e","","","0.71073","MoKα","","0.0577","0.056","","","0.1548","0.1577","","","","","","1.117","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020119","16.846","0.003","6.5212","0.001","9.0652","0.0014","90","","119.112","0.004","90","","870.1","0.2","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C9 H24 F6 N5 Ni O P -","- C9 H24 F6 N5 Ni O P -","- C18 H48 F12 N10 Ni2 O2 P2 -","2","0.5","","Choubey, Somnath; Bhar, Kishalay; Chattopadhyay, Soumi; Hazra, Arpan; Maji, Tapas Kumar; Ribas, Joan; Ghosh, Barindra Kumar","First examples of two ferromagnetic end-to-end cyanate bridged 1D linear coordination polymers of nickel(II) containing an unsymmetrical diamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11551","11554","10.1039/c2dt30429e","","","0.71073","MoKα","","0.1192","0.0666","","","0.1525","0.1752","","","","","","0.895","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020120","10.291","0.002","12.539","0.003","12.846","0.003","70.34","0.03","88.71","0.03","88.86","0.03","1560.5","0.7","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 B F2 N3 O5 -","- C34 H38 B F2 N3 O5 -","- C68 H76 B2 F4 N6 O10 -","2","1","","Yin, Zhendong; Tam, Anthony Yiu-Yan; Wong, Keith Man-Chung; Tao, Chi-Hang; Li, Bao; Poon, Chun-Ting; Wu, Lixin; Yam, Vivian Wing-Wah","Functionalized BODIPY with various sensory units‒a versatile colorimetric and luminescent probe for pH and ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11340","11350","10.1039/c2dt30446e","","","","","","0.128","","","","","","","","","","","","","","","has coordinates","191076","2020-10-21","18:00:00",""
"7020121","14.677","0.01","16.798","0.011","25.188","0.017","88.157","0.014","83.527","0.016","67.799","0.013","5713","7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H66 Ag5.5 Mo18 N11.5 O75 P2 -","- C46.5 H62.5 Ag5.5 Mo18 N11.5 O75 P2 -","- C93 H125 Ag11 Mo36 N23 O150 P4 -","2","1","","Dang, Dong-Bin; An, Bing; Bai, Yan; Niu, Jing-Yang","Assembly of a phospho-molybdic Wells-Dawson-based silver coordination polymer derived from Keggin polyoxoanion cluster.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13856","13861","10.1039/c2dt30476g","","","0.71073","MoKα","","0.1039","0.0698","","","0.1713","0.1881","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020122","9.7536","0.0001","14.6021","0.0001","26.215","0.0002","90","","94.0908","0.0002","90","","3724.11","0.05","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mo2(O2CCC-9-Anth)2(TiPB)2","","","- C84 H92 Mo2 O10 S2 -","- C84 H92 Mo2 O10 S2 -","- C168 H184 Mo4 O20 S4 -","2","0.5","","Alberding, Brian G.; Brown-Xu, Samantha E; Chisholm, Malcolm H.; Gustafson, Terry L.; Reed, Carly R.; Naseri, Vesal","Photophysical properties of MM quadruply bonded complexes (M = Mo, W) supported by carboxylate ligands: charge delocalization and dynamics in S(1) and T(1) states.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13097","13104","10.1039/c2dt30490b","","","0.71073","MoKα","","0.0425","0.0305","","","0.0704","0.0751","","","","","","1.024","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020123","9.0832","0.0007","23.8096","0.0018","14.398","0.0011","90","","99.664","0.001","90","","3069.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H35 Br N4 O8 S2 U -","- C18 H35 Br N4 O8 S2 U -","- C72 H140 Br4 N16 O32 S8 U4 -","4","1","","Natrajan, Louise S.","The first structural and spectroscopic study of a paramagnetic 5f DO3A complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13167","13172","10.1039/c2dt30573a","","","0.71073","MoKα","","0.0565","0.0516","","","0.1263","0.1288","","","","","","1.168","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020124","22.4939","0.0019","10.0871","0.0008","14.7816","0.0013","90","","115.671","0.0019","90","","3022.9","0.4","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 Pt S4 -","- C10 H14 N4 Pt S4 -","- C80 H112 N32 Pt8 S32 -","8","1","","Maeda, Yuri; Hashimoto, Hideki; Nishioka, Takanori","Sulfur containing platinum(II) complexes with N-heterocyclic carbene ligands obtained by reactions of a hydrosulfido complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12038","12047","10.1039/c2dt30597f","","","0.71075","MoKα","","","0.0223","","","","0.0546","","","","","","1","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020125","11.7597","0.0003","11.7996","0.001","12.3921","0.0003","76.311","0.014","82.238","0.014","63.793","0.008","1498.02","0.19","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N8 O8 Pt2 S4 -","- C20 H28 N8 O7.99 Pt2 S4 -","- C40 H56 N16 O15.98 Pt4 S8 -","2","1","","Maeda, Yuri; Hashimoto, Hideki; Nishioka, Takanori","Sulfur containing platinum(II) complexes with N-heterocyclic carbene ligands obtained by reactions of a hydrosulfido complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12038","12047","10.1039/c2dt30597f","","","0.7107","MoKα","","","0.0374","","","","0.0678","","","","","","1.158","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020126","15.0623","0.0019","10.1128","0.0011","15.3493","0.0019","90","","110.239","0.003","90","","2193.7","0.5","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl2 N4 O5 Pt -","- C15 H24 Cl2 N4 O5 Pt -","- C60 H96 Cl8 N16 O20 Pt4 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Nishioka, Takanori","Sulfur containing platinum(II) complexes with N-heterocyclic carbene ligands obtained by reactions of a hydrosulfido complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12038","12047","10.1039/c2dt30597f","","","0.71075","MoKα","","","0.0421","","","","0.0998","","","","","","1.091","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020127","8.6659","0.0017","15","0.003","11.0087","0.0017","90","","104.135","0.005","90","","1387.7","0.4","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 Pt S2 -","- C10 H16 N4 Pt S2 -","- C40 H64 N16 Pt4 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Nishioka, Takanori","Sulfur containing platinum(II) complexes with N-heterocyclic carbene ligands obtained by reactions of a hydrosulfido complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12038","12047","10.1039/c2dt30597f","","","0.71075","MoKα","","","0.0512","","","","0.1327","","","","","","1.071","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020128","16.4354","0.0006","16.8585","0.0001","18.2267","0.0005","66.813","0.006","83.602","0.008","60.931","0.005","4037.4","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C79.5 H85 B2 Cl3 N12 Pt3 S2 -","- C79.5 H85 B2 Cl3 N12 Pt3 S2 -","- C159 H170 B4 Cl6 N24 Pt6 S4 -","2","1","","Maeda, Yuri; Hashimoto, Hideki; Nishioka, Takanori","Sulfur containing platinum(II) complexes with N-heterocyclic carbene ligands obtained by reactions of a hydrosulfido complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12038","12047","10.1039/c2dt30597f","","","0.71075","MoKα","","","0.0536","","","","0.1376","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020129","12.4918","0.0018","14.252","0.002","21.345","0.003","90.005","0.002","86.958","0.002","89.993","0.003","3794.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H34 Cu N2 P -","- C45 H34 Cu N2 P -","- C180 H136 Cu4 N8 P4 -","4","2","","Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang","Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10199","10210","10.1039/c2dt30618b","","","0.71073","MoKα","","0.0748","0.0603","","","0.1495","0.1562","","","","","","0.995","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020130","11.374","0.003","11.686","0.003","18.175","0.004","80.042","0.003","85.355","0.004","75.425","0.004","2301","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H43 Br2 Cu N2 O P2 -","- C51 H39 Br2 Cu N2 P2 -","- C102 H78 Br4 Cu2 N4 P4 -","2","1","","Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang","Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10199","10210","10.1039/c2dt30618b","","","0.71073","MoKα","","0.0701","0.0425","","","0.0898","0.0967","","","","","","1.002","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020131","11.432","0.0009","11.5639","0.0009","18.0545","0.0015","80.682","0.001","85.919","0.001","75.194","0.001","2276","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H43 Cl2 Cu N2 O P2 -","- C51 H39 Cl2 Cu N2 P2 -","- C102 H78 Cl4 Cu2 N4 P4 -","2","1","","Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang","Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10199","10210","10.1039/c2dt30618b","","","0.71073","MoKα","","0.0487","0.0382","","","0.1015","0.1072","","","","","","1.008","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020132","11.0123","0.0019","11.935","0.002","17.701","0.003","82.839","0.002","80.293","0.003","71.108","0.002","2163.5","0.6","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H43 Br2 Cu N2 P2 -","- C49 H43 Br2 Cu N2 P2 -","- C98 H86 Br4 Cu2 N4 P4 -","2","1","","Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang","Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10199","10210","10.1039/c2dt30618b","","","0.71073","MoKα","","0.0568","0.039","","","0.0982","0.1069","","","","","","1.028","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020133","11.0197","0.0015","23.423","0.003","15.859","0.002","90","","95.414","0.002","90","","4075.2","0.9","186","2","186","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 Cu N2 O P2 -","- C49 H43 Cu N2 O P2 -","- C196 H172 Cu4 N8 O4 P8 -","4","1","","Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang","Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10199","10210","10.1039/c2dt30618b","","","0.71073","MoKα","","0.1165","0.0622","","","0.12","0.1419","","","","","","1.01","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020134","9.934","0.002","12.945","0.003","19.804","0.004","105.232","0.004","94.756","0.004","109.758","0.004","2270.9","0.8","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H47 Cu N2 O P2 -","- C55 H47 Cu N2 O P2 -","- C110 H94 Cu2 N4 O2 P4 -","2","1","","Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang","Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10199","10210","10.1039/c2dt30618b","","","0.71073","MoKα","","0.1535","0.0766","","","0.1336","0.167","","","","","","0.996","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020135","12.7878","0.001","13.0429","0.001","17.5091","0.0013","87.853","0.001","72.373","0.001","61.455","0.001","2424.8","0.3","186","2","186","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cl2 Cu F5 N2 O P2 -","- C56 H44 Cl2 Cu F5 N2 O P2 -","- C112 H88 Cl4 Cu2 F10 N4 O2 P4 -","2","1","","Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang","Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10199","10210","10.1039/c2dt30618b","","","0.71073","MoKα","","0.085","0.0555","","","0.1186","0.1352","","","","","","0.992","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020136","12.774","0.011","13.536","0.012","14.094","0.012","76.654","0.015","87.587","0.016","79.347","0.014","2330","4","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H44 Cu F5 N2 P2 -","- C55 H44 Cu F5 N2 P2 -","- C110 H88 Cu2 F10 N4 P4 -","2","1","","Liu, Xiaohui; Nan, Hongmei; Sun, Wei; Zhang, Qikai; Zhan, Mingjian; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Cheng, Yanxiang","Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10199","10210","10.1039/c2dt30618b","","","0.71073","MoKα","","0.1","0.0656","","","0.1292","0.1481","","","","","","1.054","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020137","29.1153","0.0004","29.1153","","15.8546","0.0005","90","","90","","90","","13440","0.5","298","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","Ca_1,3ADC med vand","","","- C24.48 H29 Ca3 O17.37 -","- C24.482 H29 Ca3 O17.368 -","- C391.712 H464 Ca48 O277.888 -","16","0.5","","Nielsen, Renie Birkedal; Norby, Poul; Kongshaug, Kjell Ove; Fjellvåg, Helmer","Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x‒a 3D inorganic hybrid material.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12082","12089","10.1039/c2dt30651d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020138","3.59247","0.00019","3.59247","","4.9082","0.0004","90","","90","","120","","54.858","0.005","298","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","Ca(OH)2","","","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nielsen, Renie Birkedal; Norby, Poul; Kongshaug, Kjell Ove; Fjellvåg, Helmer","Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x‒a 3D inorganic hybrid material.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12082","12089","10.1039/c2dt30651d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020139","4.9869","0.0005","4.9869","","17.0335","0.0026","90","","90","","120","","366.86","0.07","298","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","CaCO3","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nielsen, Renie Birkedal; Norby, Poul; Kongshaug, Kjell Ove; Fjellvåg, Helmer","Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x‒a 3D inorganic hybrid material.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12082","12089","10.1039/c2dt30651d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020140","9.6264","0.0007","14.1259","0.0007","11.9873","0.0006","90","","124.757","0.004","90","","1339.21","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Fe O5 -","- C13 H14 Fe O5 -","- C52 H56 Fe4 O20 -","4","1","","Romanski, Steffen; Kraus, Birgit; Guttentag, Miguel; Schlundt, Waldemar; Rücker, Hannelore; Adler, Andreas; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Schmalz, Hans-Günther","Acyloxybutadiene tricarbonyl iron complexes as enzyme-triggered CO-releasing molecules (ET-CORMs): a structure-activity relationship study.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13862","13875","10.1039/c2dt30662j","","","0.71073","MoKα","","0.054","0.0322","","","0.0734","0.08","","","","","","1.042","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020141","11.0195","0.0008","13.4293","0.0008","16.2464","0.001","75.189","0.004","86.972","0.003","89.571","0.003","2321","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 Fe O7 -","- C21 H28 Fe O7 -","- C84 H112 Fe4 O28 -","4","2","","Romanski, Steffen; Kraus, Birgit; Guttentag, Miguel; Schlundt, Waldemar; Rücker, Hannelore; Adler, Andreas; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Schmalz, Hans-Günther","Acyloxybutadiene tricarbonyl iron complexes as enzyme-triggered CO-releasing molecules (ET-CORMs): a structure-activity relationship study.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13862","13875","10.1039/c2dt30662j","","","0.71073","MoKα","","0.1565","0.0667","","","0.1514","0.1848","","","","","","0.956","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020142","12.4124","0.0004","6.4417","0.0002","18.6015","0.0007","90","","104.644","0.002","90","","1439","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Fe O5 -","- C14 H16 Fe O5 -","- C56 H64 Fe4 O20 -","4","1","","Romanski, Steffen; Kraus, Birgit; Guttentag, Miguel; Schlundt, Waldemar; Rücker, Hannelore; Adler, Andreas; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Schmalz, Hans-Günther","Acyloxybutadiene tricarbonyl iron complexes as enzyme-triggered CO-releasing molecules (ET-CORMs): a structure-activity relationship study.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13862","13875","10.1039/c2dt30662j","","","0.71073","MoKα","","0.0358","0.0285","","","0.0734","0.0756","","","","","","1.066","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020143","6.126","0.0004","7.5018","0.0005","15.0179","0.001","77.693","0.004","89.267","0.003","78.463","0.003","660.36","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 Fe O5 -","- C13 H14 Fe O5 -","- C26 H28 Fe2 O10 -","2","1","","Romanski, Steffen; Kraus, Birgit; Guttentag, Miguel; Schlundt, Waldemar; Rücker, Hannelore; Adler, Andreas; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Schmalz, Hans-Günther","Acyloxybutadiene tricarbonyl iron complexes as enzyme-triggered CO-releasing molecules (ET-CORMs): a structure-activity relationship study.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13862","13875","10.1039/c2dt30662j","","","0.71073","MoKα","","0.0277","0.0233","","","0.0572","0.0627","","","","","","1.064","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020144","13.5179","0.0016","12.1754","0.0007","12.5175","0.0015","90","","100.201","0.003","90","","2027.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Fe O7 -","- C19 H24 Fe O7 -","- C76 H96 Fe4 O28 -","4","1","","Romanski, Steffen; Kraus, Birgit; Guttentag, Miguel; Schlundt, Waldemar; Rücker, Hannelore; Adler, Andreas; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Schmalz, Hans-Günther","Acyloxybutadiene tricarbonyl iron complexes as enzyme-triggered CO-releasing molecules (ET-CORMs): a structure-activity relationship study.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13862","13875","10.1039/c2dt30662j","","","0.71073","MoKα","","0.0916","0.0606","","","0.1592","0.1803","","","","","","1.214","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020145","6.6635","0.0014","6.7003","0.0015","28.213","0.006","85.849","0.005","86.939","0.006","82.03","0.007","1243","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 Fe O5 -","- C25 H38 Fe O5 -","- C50 H76 Fe2 O10 -","2","1","","Romanski, Steffen; Kraus, Birgit; Guttentag, Miguel; Schlundt, Waldemar; Rücker, Hannelore; Adler, Andreas; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Schmalz, Hans-Günther","Acyloxybutadiene tricarbonyl iron complexes as enzyme-triggered CO-releasing molecules (ET-CORMs): a structure-activity relationship study.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13862","13875","10.1039/c2dt30662j","","","0.71073","MoKα","","0.1435","0.0745","","","0.1718","0.2007","","","","","","1.025","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020146","8.6905","0.0003","10.0025","0.0004","28.669","0.0012","89.975","0.002","87.653","0.002","82.287","0.002","2467.45","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 Fe O5 -","- C25 H38 Fe O5 -","- C100 H152 Fe4 O20 -","4","2","","Romanski, Steffen; Kraus, Birgit; Guttentag, Miguel; Schlundt, Waldemar; Rücker, Hannelore; Adler, Andreas; Neudörfl, Jörg-Martin; Alberto, Roger; Amslinger, Sabine; Schmalz, Hans-Günther","Acyloxybutadiene tricarbonyl iron complexes as enzyme-triggered CO-releasing molecules (ET-CORMs): a structure-activity relationship study.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13862","13875","10.1039/c2dt30662j","","","0.71073","MoKα","","0.0986","0.0579","","","0.1363","0.1561","","","","","","1.037","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020147","27.6571","0.0016","27.6571","0.0016","27.6571","0.0016","90","","90","","90","","21155","2","200","2","200","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C46 H42 N3 O16 Zn2 -","- C46 H26 N3 O16 Zn2 -","- C276 H156 N18 O96 Zn12 -","6","0.25","","Zhang, Lejie; Jian, Yuan; Wang, Jian; He, Cheng; Li, Xuezhao; Liu, Tao; Duan, Chunying","Post-modification of a MOF through a fluorescent-labeling technology for the selective sensing and adsorption of Ag+ in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10153","10155","10.1039/c2dt30689a","","","0.71073","MoKα","","0.1616","0.0617","","","0.0981","0.1157","","","","","","1.002","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020148","24.3006","0.0017","12.7704","0.0009","13.844","0.001","90","","123.028","0.001","90","","3601.9","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H32 B20 Cu2 O11 -","- C11 H32 B20 Cu2 O11 -","- C44 H128 B80 Cu8 O44 -","4","0.5","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.0362","0.0287","","","0.0819","0.0846","","","","","","1.039","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020149","11.74","0.001","12.684","0.0011","13.5746","0.0012","90","","113.301","0.001","90","","1856.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H21 B10 Cu N O6 -","- C8 H21 B10 Cu N O6 -","- C32 H84 B40 Cu4 N4 O24 -","4","1","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.0361","0.0291","","","0.0834","0.0891","","","","","","1.081","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020150","9.5924","0.0017","10.2168","0.0018","11.281","0.002","74.845","0.003","82.169","0.003","80.761","0.003","1048.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 B10 Cu N2 O4 -","- C14 H20 B10 Cu N2 O4 -","- C28 H40 B20 Cu2 N4 O8 -","2","1","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.0749","0.0584","","","0.1649","0.2063","","","","","","1.089","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020151","12.037","0.004","18.567","0.006","17.116","0.005","90","","102.077","0.005","90","","3741","2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10.25 H29.25 B20 Cu2 N0.75 O10.75 -","- C10.25 H29.25 B20 Cu2 N0.75 O10.75 -","- C41 H117 B80 Cu8 N3 O43 -","4","1","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.1436","0.075","","","0.1861","0.2118","","","","","","0.888","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020152","21.0039","0.0014","18.1673","0.0012","18.7689","0.0012","90","","90","","90","","7161.9","0.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12.75 H39 B20 Cu2 O12.75 -","- C12.75 H39 B20 Cu2 O12.75 -","- C102 H312 B160 Cu16 O102 -","8","1","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.0644","0.0458","","","0.1384","0.1571","","","","","","1.033","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020153","9.7985","0.0011","11.4767","0.0013","12.2068","0.0014","110.917","0.002","103.992","0.002","102.05","0.002","1176.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H62 B20 Cu3 O20 -","- C20 H62 B20 Cu3 O20 -","- C20 H62 B20 Cu3 O20 -","1","0.5","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.0653","0.043","","","0.1272","0.1796","","","","","","1.074","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020154","18.883","0.013","11.088","0.007","11.086","0.008","90","","104.588","0.011","90","","2246","3","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H60 B20 Cu2 N4 O18 -","- C8 H24 B20 Cu2 O10 -","- C16 H48 B40 Cu4 O20 -","2","0.25","","Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin","Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11657","11662","10.1039/c2dt30708a","","","0.71073","MoKα","","0.0819","0.07","","","0.183","0.1891","","","","","","1.025","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020155","8.5309","0.0008","9.6061","0.0004","11.6078","0.0005","114.327","0.002","103.206","0.003","95.776","0.003","823.27","0.09","150","2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 N4 O16 S2 V2 -","- C26 H32 N4 O16 S2 V2 -","- C26 H32 N4 O16 S2 V2 -","1","0.5","","Sartzi, Harikleia; Stoumpos, Constantinos C.; Giouli, Maria; Verginadis, Ioannis I.; Karkabounas, Spyridon Ch; Cunha-Silva, Luís; Escuer, Albert; Perlepes, Spyros P.","The ""periodic table"" of di-2-pyridyl ketone: vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11984","11988","10.1039/c2dt30710c","","","0.71073","MoKα","","0.0662","0.0458","","","0.0962","0.1033","","","","","","1.097","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020156","9.6747","0.0008","10.901","0.0009","16.2391","0.0015","90.065","0.004","104.274","0.004","103.995","0.004","1607.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 N4 O15 S V2 -","- C25 H26 N4 O11 S V2 -","- C50 H52 N8 O22 S2 V4 -","2","1","","Sartzi, Harikleia; Stoumpos, Constantinos C.; Giouli, Maria; Verginadis, Ioannis I.; Karkabounas, Spyridon Ch; Cunha-Silva, Luís; Escuer, Albert; Perlepes, Spyros P.","The ""periodic table"" of di-2-pyridyl ketone: vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11984","11988","10.1039/c2dt30710c","","","0.71073","MoKα","","0.0508","0.0372","","","0.1003","0.1049","","","","","","1.075","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020157","8.9758","0.0006","9.1138","0.0008","15.2124","0.0013","89.297","0.004","85.708","0.004","85.366","0.004","1236.86","0.17","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N4 O10 V2 -","- C24 H22 N4 O10 V2 -","- C48 H44 N8 O20 V4 -","2","1","","Sartzi, Harikleia; Stoumpos, Constantinos C.; Giouli, Maria; Verginadis, Ioannis I.; Karkabounas, Spyridon Ch; Cunha-Silva, Luís; Escuer, Albert; Perlepes, Spyros P.","The ""periodic table"" of di-2-pyridyl ketone: vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11984","11988","10.1039/c2dt30710c","","","0.71073","MoKα","","0.0664","0.0518","","","0.1339","0.1438","","","","","","1.035","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020158","9.398","0.003","13.147","0.004","12.736","0.004","90","","98.249","0.019","90","","1557.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O14 V4 -","- C26 H28 N4 O14 V4 -","- C52 H56 N8 O28 V8 -","2","0.5","","Sartzi, Harikleia; Stoumpos, Constantinos C.; Giouli, Maria; Verginadis, Ioannis I.; Karkabounas, Spyridon Ch; Cunha-Silva, Luís; Escuer, Albert; Perlepes, Spyros P.","The ""periodic table"" of di-2-pyridyl ketone: vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11984","11988","10.1039/c2dt30710c","","","0.71073","MoKα","","0.0636","0.0423","","","0.1004","0.1107","","","","","","1.055","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020159","13.3978","0.0008","28.7543","0.0018","26.4339","0.0017","90","","93.677","0.004","90","","10162.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H121 Cl8 Co4 N16 O42.5 -","- C80 H120 Cl8 Co4 N16 O42.5 -","- C320 H480 Cl32 Co16 N64 O170 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0613","0.0346","","","0.0931","0.1054","","","","","","1.038","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7020160","9.132","0.0006","13.584","0.0009","16.711","0.001","90","","90","","90","","2073","0.2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 Cl2 Co N5 O10 -","- C13 H24 Cl2 Co N5 O10 -","- C52 H96 Cl8 Co4 N20 O40 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0459","0.0425","","","0.1219","0.1264","","","","","","1.048","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020161","8.455","0.003","9.447","0.003","12.232","0.004","98.584","0.006","101.007","0.006","112.488","0.006","859.1","0.5","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 Cl2 Co N5 O10 -","- C8 H22 Cl2 Co N5 O10 -","- C16 H44 Cl4 Co2 N10 O20 -","2","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.7107","MoKα","","0.0944","0.072","","0.0826","","0.0787","","","2.256","","","2.51","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020162","10.139","0.002","14.37","0.003","15.118","0.003","90","","90","","90","","2202.7","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Cl1.4 Co I0.6 N4 O7.6 -","- C16 H27 Cl1.4 Co I0.6 N4 O7.6 -","- C64 H108 Cl5.6 Co4 I2.4 N16 O30.4 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0362","0.0308","","","0.0756","0.0777","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020163","7.779","0.003","7.864","0.003","8.045","0.003","100.627","0.006","106.855","0.006","102.071","0.006","444.5","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C11 H29 Cl2 Co N4 O4 -","- C11 H25 Cl2 Co N4 O4 -","- C11 H25 Cl2 Co N4 O4 -","1","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0558","0.0557","","","0.1505","0.1505","","","","","","1.054","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020164","8.2091","0.0003","16.7587","0.0007","17.1486","0.0007","90","","93.56","0.002","90","","2354.65","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl2 Co N5 O10 -","- C18 H28 Cl2 Co N5 O10 -","- C72 H112 Cl8 Co4 N20 O40 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0473","0.0335","","","0.0988","0.1215","","","","","","1.132","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7020165","17.281","0.006","17.298","0.006","18.867","0.006","90","","90.172","0.007","90","","5640","3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H50 Cl6 Co2 N8 O21 -","- C46 H48 Cl6 Co2 N8 O21 -","- C184 H192 Cl24 Co8 N32 O84 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0887","0.0836","","","0.2239","0.2292","","","","","","1.014","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7020166","14.729","0.005","23.56","0.008","9.935","0.003","90","","90","","90","","3448","2","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H30 Cl Co N5 O9 -","- C31 H30 Cl Co N5 O9 -","- C124 H120 Cl4 Co4 N20 O36 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.073","0.0656","","","0.1612","0.1651","","","","","","1.393","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020167","12.011","0.002","18.474","0.003","13.884","0.003","90","","106.166","0.006","90","","2958.9","0.9","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 Co N4 O10 -","- C28 H27 Cl2 Co N4 O10 -","- C112 H108 Cl8 Co4 N16 O40 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0887","0.0516","","","0.1227","0.1453","","","","","","1.033","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7020168","21.553","0.003","10.822","0.0014","22.239","0.003","90","","93.066","0.009","90","","5179.7","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl2 Co2 N8 O12 -","- C56 H48 Cl2 Co2 N8 O12 -","- C224 H192 Cl8 Co8 N32 O48 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.1819","0.0635","","","0.1058","0.1313","","","","","","0.937","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7020169","12.836","0.005","17.758","0.007","14.707","0.006","90","","104.636","0.007","90","","3244","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cl2 Co N4 O10 -","- C32 H29 Cl2 Co N4 O10 -","- C128 H116 Cl8 Co4 N16 O40 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0603","0.0407","","","0.0944","0.0995","","","","","","1.205","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020170","15.907","0.0008","8.978","0.0004","19.14","0.0009","90","","97.115","0.003","90","","2712.4","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 Co N4 O11 -","- C23 H27 Cl2 Co N4 O11 -","- C92 H108 Cl8 Co4 N16 O44 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0593","0.042","","","0.1074","0.1189","","","","","","1.028","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7020171","11.0898","0.0008","12.06","0.001","15.869","0.001","73.145","0.007","76.574","0.006","81.511","0.007","1968.3","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C41 H36.5 B F4 N O0.25 P2 Pd -","- C41 H34 B F4 N O0.25 P2 Pd -","- C82 H68 B2 F8 N2 O0.5 P4 Pd2 -","2","1","","Crociani, Bruno; Antonaroli, Simonetta; Paoli, Paola; Rossi, Patrizia","η1-Allylpalladium complexes with a tridentate PNP ligand with different phosphino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12490","12500","10.1039/c2dt30746d","","","0.71073","MoKα","","0.1795","0.0861","","","0.166","0.1943","","","","","","0.932","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020172","18.145","0.003","18.145","0.003","41.701","0.009","90","","90","","90","","13730","4","120","2","120","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Ge9.75 O22.75 -","- Ge9.793 O22.793 -","- Ge156.688 O364.688 -","16","1","","Huang, Shiliang; Inge, A. Ken; Yang, Sihai; Christensen, Kirsten E.; Zou, Xiaodong; Sun, Junliang","SU-75: a disordered Ge10 germanate with pcu topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12358","12364","10.1039/c2dt30767g","","","0.6889","Synchrotron","","0.0563","0.0544","","","0.1643","0.1664","","","","","","1.043","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020173","11.9491","0.0006","22.484","0.0007","20.4589","0.0006","90","","94.718","0.005","90","","5477.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H48 Cl Mo N2 P4 -","- C53 H48 Cl Mo N2 P4 -","- C212 H192 Cl4 Mo4 N8 P16 -","4","1","","Alegria, Elisabete C. B. A.; Guedes da Silva, M Fátima C; Kuznetsov, Maxim L.; Cunha, Sónia M P R M; Martins, Luísa M D R S; Pombeiro, Armando J. L.","Acylated cyanoimido-complexes trans-[Mo(NCN){NCNC(O)R}(dppe)(2)]Cl and their reactions with electrophiles: chemical, electrochemical and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13876","13890","10.1039/c2dt30867c","","x-ray","0.71073","Mokα","","0.1746","0.128","","","0.3054","0.3336","","","","","","1.179","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020174","6.008","0.0003","10.1646","0.0005","12.7605","0.0006","91.827","0.003","102.254","0.003","98.262","0.003","752.04","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cu N3 S -","- C17 H14 Cu N3 S -","- C34 H28 Cu2 N6 S2 -","2","1","","Jana, Subrata; Bhowmik, Prasanta; Chattopadhyay, Shouvik","Unique in situ reduction of copper(II) forming an interesting photoluminescent stair-polymer of copper(I) with a Cu2S2 core.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10145","10149","10.1039/c2dt30871a","","","0.71073","MoKα","","0.0632","0.0527","","","0.1066","0.108","","","","","","1.837","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020175","10.9914","0.0011","26.259","0.003","32.326","0.004","90","","90","","90","","9330","1.8","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C79 H67 Cl3 F12 Ir2 N8 O7 P2 S2 -","- C79 H61 Cl3 F12 Ir2 N8 O7 P2 S2 -","- C316 H244 Cl12 F48 Ir8 N32 O28 P8 S8 -","4","1","","Bouamaied, Imenne; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Stereochemistry controlled by an asymmetric sulfur atom, and a rare example of a kryptoracemate.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10276","10285","10.1039/c2dt30892d","","","0.71073","MoKα","","0.0436","0.0393","","","0.1008","0.104","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020176","9.811","0.004","9.938","0.004","14.981","0.005","95.08","0.03","95.78","0.03","101.52","0.03","1415.1","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 S -","- C17 H14 N2 S -","- C68 H56 N8 S4 -","4","2","","Bouamaied, Imenne; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Stereochemistry controlled by an asymmetric sulfur atom, and a rare example of a kryptoracemate.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10276","10285","10.1039/c2dt30892d","","","0.71073","MoKα","","0.0889","0.0667","","","0.1689","0.1878","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020177","33.093","0.006","6.129","0.0007","15.202","0.003","90","","108.672","0.015","90","","2921.1","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C136 H112 N16 O8 S8 -","8","1","","Bouamaied, Imenne; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Stereochemistry controlled by an asymmetric sulfur atom, and a rare example of a kryptoracemate.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10276","10285","10.1039/c2dt30892d","","","0.71073","MoKα","","0.0629","0.0585","","","0.1624","0.1657","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020178","32.941","0.007","6.1326","0.0009","15.569","0.003","90","","109.002","0.016","90","","2973.8","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C136 H112 N16 O16 S8 -","8","1","","Bouamaied, Imenne; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Stereochemistry controlled by an asymmetric sulfur atom, and a rare example of a kryptoracemate.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10276","10285","10.1039/c2dt30892d","","","0.71073","MoKα","","0.0441","0.0382","","","0.0943","0.0981","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020179","10.5375","0.0003","15.2833","0.0004","16.278","0.0006","94.563","0.003","94.546","0.003","94.813","0.002","2594.25","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 Cl N4 O6 Os -","- C56 H64 Cl N4 O6 Os -","- C112 H128 Cl2 N8 O12 Os2 -","2","1","","Das, Dipanwita; Scherer, Thomas Michael; Das, Amit; Mondal, Tapan Kumar; Mobin, Shaikh M.; Fiedler, Jan; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar","The intricate paramagnetic state of [Os(Q)2(bpy)]+, Q = 4,6-di-tert-butyl-o-iminobenzoquinone.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11675","11683","10.1039/c2dt30903c","","","0.71073","MoKα","","0.0711","0.0421","","","0.0671","0.0706","","","","","","0.807","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020180","17.318","0.005","29.061","0.008","29.958","0.008","70.275","0.004","89.925","0.004","74.594","0.004","13618","7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C265 H394 B8 F16 Fe4 N68 Ni4 O55 S28 -","- C172 H152 B8 F16 Fe4 N68 Ni4 O4 S28 -","- C344 H304 B16 F32 Fe8 N136 Ni8 O8 S56 -","2","1","","Mitsumoto, Kiyotaka; Nishikawa, Hiroyuki; Newton, Graham N.; Oshio, Hiroki","Encapsulation controlled single molecule magnetism in tetrathiafulvalene-capped cyanide-bridged cubes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13601","13608","10.1039/c2dt30908d","","","0.71073","MoKα","","0.2571","0.1501","","","0.3913","0.4218","","","","","","1.014","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020181","18.221","0.01","22.283","0.01","9.501","0.005","90","","110.727","0.013","90","","3608","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H49 Cl4 Fe N2 O2 -","- C33 H49 Cl4 Fe N2 O2 -","- C132 H196 Cl16 Fe4 N8 O8 -","4","0.5","","Deng, Hai-ning; Xing, Ya-lin; Xia, Cong-liang; Sun, Hong-mei; Shen, Qi; Zhang, Yong","Ionic iron(III) complexes of bis(phenol)-functionalized imidazolium cations: synthesis, structures and catalysis for aryl Grignard cross-coupling of alkyl halides.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11597","11607","10.1039/c2dt30931a","","","0.71075","MoKα","","0.1274","0.0762","","","0.1865","0.2218","","","","","","1.082","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020182","21.235","0.002","11.953","0.0011","18.3053","0.0017","90","","92.37","0.003","90","","4642.3","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Br4 Fe N2 O4 -","- C41 H65 Br4 Fe N2 O4 -","- C164 H260 Br16 Fe4 N8 O16 -","4","1","","Deng, Hai-ning; Xing, Ya-lin; Xia, Cong-liang; Sun, Hong-mei; Shen, Qi; Zhang, Yong","Ionic iron(III) complexes of bis(phenol)-functionalized imidazolium cations: synthesis, structures and catalysis for aryl Grignard cross-coupling of alkyl halides.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11597","11607","10.1039/c2dt30931a","","","0.71075","MoKα","","0.1351","0.0969","","","0.2412","0.2661","","","","","","1.127","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020183","14.8307","0.0002","12.1463","0.0002","19.8806","0.0003","90","","90","","90","","3581.25","0.09","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-pyrazine-2,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')(trimethylphosphane- 1κ<i>P</i>)diiron(I)(<i>Fe</i>—<i>Fe</i>)","","- C12 H11 Fe2 N2 O5 P S2 -","- C12 H11 Fe2 N2 O5 P S2 -","- C96 H88 Fe16 N16 O40 P8 S16 -","8","1","","Gao, Shang; Fan, Jiangli; Sun, Shiguo; Song, Fengling; Peng, Xiaojun; Duan, Qian; Jiang, Dayong; Liang, Qingcheng","Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12064","12074","10.1039/c2dt30934c","","","0.71073","MoKα","","0.057","0.0336","","","0.064","0.0702","","","","","","1.014","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020184","12.2078","0.001","11.951","0.001","25.326","0.002","90","","90","","90","","3694.9","0.5","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl(pyrazine-1,3-dithiolato- κ^2^<i>S</i>,<i>S</i>')bis(trimethylphosphane-κ<i>P</i>)iron(II)","","- C12 H20 Fe N2 O2 P2 S2 -","- C12 H20 Fe N2 O2 P2 S2 -","- C96 H160 Fe8 N16 O16 P16 S16 -","8","1","","Gao, Shang; Fan, Jiangli; Sun, Shiguo; Song, Fengling; Peng, Xiaojun; Duan, Qian; Jiang, Dayong; Liang, Qingcheng","Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12064","12074","10.1039/c2dt30934c","","","0.71073","MoKα","","0.0348","0.0288","","","0.0696","0.0727","","","","","","1.094","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020185","7.0142","0.0013","18.985","0.003","21.124","0.003","90","","103.326","0.01","90","","2737.2","0.8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F6 Fe N2 O8 P2 S4 -","- C14 H22 F6 Fe N2 O8 P2 S4 -","- C56 H88 F24 Fe4 N8 O32 P8 S16 -","4","1","","Gao, Shang; Fan, Jiangli; Sun, Shiguo; Song, Fengling; Peng, Xiaojun; Duan, Qian; Jiang, Dayong; Liang, Qingcheng","Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12064","12074","10.1039/c2dt30934c","","","0.71073","MoKα","","0.139","0.0695","","","0.133","0.15","","","","","","0.961","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020186","9.8035","0.0002","8.9081","0.0002","17.0109","0.0003","90","","96.241","0.001","90","","1476.77","0.05","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 Fe2 N2 O6 S2 -","- C10 H2 Fe2 N2 O6 S2 -","- C40 H8 Fe8 N8 O24 S8 -","4","1","","Gao, Shang; Fan, Jiangli; Sun, Shiguo; Song, Fengling; Peng, Xiaojun; Duan, Qian; Jiang, Dayong; Liang, Qingcheng","Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12064","12074","10.1039/c2dt30934c","","","0.71073","MoKα","","0.0327","0.0278","","","0.0715","0.0738","","","","","","1.086","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020187","7.947","0.003","22.973","0.008","20.733","0.007","90","","94.517","0.004","90","","3773","2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H3 F3 Fe2 N2 O9 S3 -","- C11 H3 F3 Fe2 N2 O9 S3 -","- C88 H24 F24 Fe16 N16 O72 S24 -","8","2","","Gao, Shang; Fan, Jiangli; Sun, Shiguo; Song, Fengling; Peng, Xiaojun; Duan, Qian; Jiang, Dayong; Liang, Qingcheng","Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12064","12074","10.1039/c2dt30934c","","","0.71073","MoKα","","0.0516","0.0338","","","0.0778","0.0834","","","","","","1.05","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020188","24.8177","0.0008","29.414","0.001","31.3524","0.0011","67.883","0.002","89.927","0.002","82.5","0.002","20992.8","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H118 N24 O33 Pd2 S10 -","- C73 H68.5 N23.5 O21.75 Pd2 S2.5 -","- C584 H548 N188 O174 Pd16 S20 -","8","4","","Tripathy, Debakanta; Pal, Amlan K.; Hanan, Garry S.; Chand, Dillip Kumar","Palladium(II) driven self-assembly of a saturated quadruple-stranded metallo helicate.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11273","11275","10.1039/c2dt30937h","","","1.54178","CuKα","","0.1224","0.0898","","","0.2519","0.2716","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020189","24.18","0.005","9.1064","0.0018","24.826","0.005","90","","108.38","0.03","90","","5188","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 N16 O10 Pb2 -","- C58 H36 N16 O10 Pb2 -","- C232 H144 N64 O40 Pb8 -","4","0.5","","Jin, Juan; Jia, Ming-Jun; Li, Guang-Hua; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New metal complexes with di(mono)acylhydrazidate molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10267","10275","10.1039/c2dt30941f","","","0.71073","MoKα","","0.0586","0.0438","","","0.0801","0.0854","","","","","","1.061","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020190","23.9984","0.0009","10.1797","0.0003","19.727","0.0005","90","","91.218","0.003","90","","4818.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16.5 Cd N6 O5.25 -","- C28 H16 Cd N6 O5.25 -","- C224 H128 Cd8 N48 O42 -","8","1","","Jin, Juan; Jia, Ming-Jun; Li, Guang-Hua; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New metal complexes with di(mono)acylhydrazidate molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10267","10275","10.1039/c2dt30941f","","","0.71073","MoKα","","0.1092","0.0503","","","0.1251","0.1578","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020191","10.1308","0.0002","22.5202","0.0008","13.454","0.0003","90","","123.824","0.001","90","","2549.99","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N6 O4 Pb -","- C30 H22 N6 O4 Pb -","- C120 H88 N24 O16 Pb4 -","4","1","","Jin, Juan; Jia, Ming-Jun; Li, Guang-Hua; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New metal complexes with di(mono)acylhydrazidate molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10267","10275","10.1039/c2dt30941f","","","0.71073","MoKα","","0.0775","0.0314","","","0.0642","0.0741","","","","","","0.992","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020192","24.9265","0.0009","10.4215","0.0003","20.2645","0.0005","90","","94.961","0.003","90","","5244.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H46 Cd2 N12 O10 -","- C60 H44 Cd2 N12 O9 -","- C240 H176 Cd8 N48 O36 -","4","0.5","","Jin, Juan; Jia, Ming-Jun; Li, Guang-Hua; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New metal complexes with di(mono)acylhydrazidate molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10267","10275","10.1039/c2dt30941f","","","0.71073","MoKα","","0.0558","0.0369","","","0.0936","0.1081","","","","","","1.067","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020193","11.5586","0.0005","10.4198","0.0004","11.8568","0.0005","90","","109.947","0.002","90","","1342.34","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N4 O5 -","- C16 H10 N4 O5 -","- C64 H40 N16 O20 -","4","0.5","","Jin, Juan; Jia, Ming-Jun; Li, Guang-Hua; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New metal complexes with di(mono)acylhydrazidate molecules.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10267","10275","10.1039/c2dt30941f","","","0.71073","MoKα","","0.0482","0.037","","","0.1036","0.1124","","","","","","1.024","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020194","12.384","0.003","11.697","0.003","12.965","0.003","90","","94.107","0.007","90","","1873.2","0.8","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Eu Ge N5 O Se4 -","- C8 H24 Eu Ge N5 O Se4 -","- C32 H96 Eu4 Ge4 N20 O4 Se16 -","4","1","","Chen, Ruihong; Tang, Weiwei; Liang, Jingjing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","The first μ-Ge2Se8 ligand to lanthanide(III) centers: solvothermal syntheses and characterizations of lanthanide selenidogermanate complexes with a pentadentate polyamine as a co-ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12439","12445","10.1039/c2dt30960b","","","0.71073","MoKα","","0.0633","0.0525","","","0.1126","0.142","","","","","","1.118","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020195","12.316","0.004","11.667","0.004","12.868","0.004","90","","93.701","0.013","90","","1845.2","1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Gd Ge N5 O Se4 -","- C8 H24 Gd Ge N5 O Se4 -","- C32 H96 Gd4 Ge4 N20 O4 Se16 -","4","1","","Chen, Ruihong; Tang, Weiwei; Liang, Jingjing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","The first μ-Ge2Se8 ligand to lanthanide(III) centers: solvothermal syntheses and characterizations of lanthanide selenidogermanate complexes with a pentadentate polyamine as a co-ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12439","12445","10.1039/c2dt30960b","","","0.71073","MoKα","","0.0675","0.0432","","","0.1046","0.1268","","","","","","1.113","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020196","12.329","0.002","11.627","0.003","12.882","0.003","90","","94.177","0.007","90","","1841.7","0.7","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Dy Ge N5 O Se4 -","- C8 H24 Dy Ge N5 O Se4 -","- C32 H96 Dy4 Ge4 N20 O4 Se16 -","4","1","","Chen, Ruihong; Tang, Weiwei; Liang, Jingjing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","The first μ-Ge2Se8 ligand to lanthanide(III) centers: solvothermal syntheses and characterizations of lanthanide selenidogermanate complexes with a pentadentate polyamine as a co-ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12439","12445","10.1039/c2dt30960b","","","0.71073","MoKα","","0.0565","0.0391","","","0.1019","0.1201","","","","","","1.118","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020197","10.0259","0.0019","11.526","0.002","15.147","0.003","90","","99.03","0.004","90","","1728.7","0.6","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H50 Dy2 Ge2 N12 O2 Se6 -","- C12 H38 Dy2 Ge2 N12 O2 Se6 -","- C24 H76 Dy4 Ge4 N24 O4 Se12 -","2","0.5","","Chen, Ruihong; Tang, Weiwei; Liang, Jingjing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","The first μ-Ge2Se8 ligand to lanthanide(III) centers: solvothermal syntheses and characterizations of lanthanide selenidogermanate complexes with a pentadentate polyamine as a co-ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12439","12445","10.1039/c2dt30960b","","","0.71073","MoKα","","0.0489","0.0409","","","0.0868","0.0901","","","","","","1.119","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020198","27.461","0.0003","14.692","0.0002","30.785","0.0003","90","","106.243","0.004","90","","11924.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H96 N8 O16 W4 -","- C40 H96 N8 O16 W4 -","- C320 H768 N64 O128 W32 -","8","2","","Choujaa, Hamid; Johnson, Andrew L.; Kociok-Köhn, Gabriele; Molloy, Kieran C.","The synthesis of W-O-W μ-oxo clusters by hydrolysis of tungsten aminoalkoxides and their structural characterisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11393","11401","10.1039/c2dt30966a","","","0.71073","MoKα","","0.0559","0.046","","","0.1025","0.1071","","","","","","1.179","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020199","17.8397","0.0003","18.8679","0.0004","22.7712","0.0005","81.07","0.001","72.206","0.001","87.866","0.001","7209.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H216 N24 O43 W12 -","- C90 H216 N24 O43 W12 -","- C180 H432 N48 O86 W24 -","2","1","","Choujaa, Hamid; Johnson, Andrew L.; Kociok-Köhn, Gabriele; Molloy, Kieran C.","The synthesis of W-O-W μ-oxo clusters by hydrolysis of tungsten aminoalkoxides and their structural characterisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11393","11401","10.1039/c2dt30966a","","","0.71073","MoKα","","0.0904","0.05","","","0.1113","0.1315","","","","","","1.054","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020200","24.9274","0.0002","24.9274","0.0002","9.6837","0.0001","90","","90","","90","","6017.21","0.09","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H96 N12 O14 W4 -","- C40 H96 N12 O14 W4 -","- C160 H384 N48 O56 W16 -","4","0.25","","Choujaa, Hamid; Johnson, Andrew L.; Kociok-Köhn, Gabriele; Molloy, Kieran C.","The synthesis of W-O-W μ-oxo clusters by hydrolysis of tungsten aminoalkoxides and their structural characterisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11393","11401","10.1039/c2dt30966a","","","0.71073","MoKα","","0.0284","0.0248","","","0.0596","0.0613","","","","","","1.132","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020201","24.924","0.0005","24.924","0.0005","9.772","0.0002","90","","90","","90","","6070.4","0.2","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H104 N12 O18 W4 -","- C40 H104 N12 O18 W4 -","- C160 H416 N48 O72 W16 -","4","0.25","","Choujaa, Hamid; Johnson, Andrew L.; Kociok-Köhn, Gabriele; Molloy, Kieran C.","The synthesis of W-O-W μ-oxo clusters by hydrolysis of tungsten aminoalkoxides and their structural characterisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11393","11401","10.1039/c2dt30966a","","","0.71073","MoKα","","0.0646","0.0405","","","0.0766","0.0877","","","","","","1.107","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020202","10.038","0.002","14.622","0.002","9.576","0.001","90","","90","","90","","1405.5","0.4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrachloro-(1,2-bis(methylsulfanyl)benzene)tellurium(IV)","","- C8 H10 Cl4 S2 Te -","- C8 H10 Cl4 S2 Te -","- C32 H40 Cl16 S8 Te4 -","4","1","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0218","0.0201","","","0.0385","0.0391","","","","","","1.066","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020203","12.513","0.003","12.513","0.003","12.513","0.003","90","","90","","90","","1959.2","0.8","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","bis(trimethylselenonium) hexachlorotellurate(IV)","","- C6 H18 Cl6 Se2 Te -","- C6 H18 Cl6 Se2 Te -","- C24 H72 Cl24 Se8 Te4 -","4","0.166667","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.1077","0.0594","","","0.0971","0.1125","","","","","","1.159","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020204","19.451","0.003","11.603","0.002","7.1757","0.001","90","","90","","90","","1619.5","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","tetrachloro(1,2-bis(methylsulfanylmethyl)benzene-S,S')tellurium(IV)","","- C10 H14 Cl4 S2 Te -","- C10 H14 Cl4 S2 Te -","- C40 H56 Cl16 S8 Te4 -","4","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0215","0.0196","","","0.0419","0.0428","","","","","","1.131","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020205","6.5","0.004","10.79","0.005","12.442","0.008","90","","90","","90","","872.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetrafluoro(trimethylphosphine oxide-O)tellurium(IV)","","- C3 H9 F4 O P Te -","- C3 H9 F4 O P Te -","- C12 H36 F16 O4 P4 Te4 -","4","1","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0143","0.0138","","","0.0335","0.0336","","","","","","1.018","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020206","9.933","0.003","18.151","0.005","10.604","0.007","90","","113.9","0.04","90","","1747.9","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrafluoro(triphenylphosphine oxide-O)tellurium(IV)","","- C18 H15 F4 O P Te -","- C18 H15 F4 O P Te -","- C72 H60 F16 O4 P4 Te4 -","4","1","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0204","0.0182","","","0.0434","0.0443","","","","","","1.045","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020207","6.72","0.002","13.138","0.004","8.486","0.003","90","","107.967","0.005","90","","712.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrabromo(methylselanylmethane-Se)tellurium(IV)","","- C4 H12 Br4 Se2 Te -","- C4 H12 Br4 Se2 Te -","- C8 H24 Br8 Se4 Te2 -","2","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0226","0.0198","","","0.0355","0.0362","","","","","","0.951","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020208","9.881","0.003","9.881","0.003","26.388","0.008","90","","90","","90","","2576.4","1.4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","tetrachloro(1,3-Bis(methylsulfanyl)propane-S,S')tellurium(IV)","","- C5 H12 Cl4 S2 Te -","- C5 H12 Cl4 S2 Te -","- C40 H96 Cl32 S16 Te8 -","8","","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0423","0.0415","","","0.0668","0.067","","","","","","1.211","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020209","6.487","0.002","12.872","0.004","8.215","0.003","90","","108.245","0.008","90","","651.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-tetrachlorobis(methylselanylmethane-Se)tellurium(IV)","","- C4 H12 Cl4 Se2 Te -","- C4 H12 Cl4 Se2 Te -","- C8 H24 Cl8 Se4 Te2 -","2","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0188","0.0163","","","0.0336","0.0342","","","","","","1.014","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020210","25.509","0.003","25.509","0.003","25.509","0.003","90","","90","","90","","16599","3","100","2","100","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","1,3-dibromo-1,1,3,3-tetramethyl-1λ^4^,3λ^4^-ditelluroxane dichloromethane solvate","","- C4.6 H13.2 Br2 Cl1.2 O Te2 -","- C4.3 H12 Br2 Cl1.2 O Te2 -","- C206.4 H576 Br96 Cl57.6 O48 Te96 -","48","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0312","0.0291","","","0.0766","0.0778","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020211","8.624","0.002","7.5542","0.0012","12.754","0.002","90","","109.63","0.005","90","","782.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-tetrabromobis(tetrahydrothiophene)tellurium(IV)","","- C8 H16 Br4 S2 Te -","- C8 H16 Br4 S2 Te -","- C16 H32 Br8 S4 Te2 -","2","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0198","0.0181","","","0.0414","0.042","","","","","","1.06","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020212","9.9052","0.0002","10.4099","0.0003","15.6229","0.0004","90","","100.067","0.002","90","","1586.11","0.07","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0697","0.0499","","","0.1362","0.1502","","","","","","1.024","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020213","8.502","0.003","8.623","0.003","8.734","0.003","71.099","0.005","87.043","0.006","72.783","0.005","577.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","di(μ~2~-bromo)bis(tetrahydrothiophene)-bis(tribromotellurium(IV))","","- C8 H16 Br8 S2 Te2 -","- C8 H16 Br8 S2 Te2 -","- C8 H16 Br8 S2 Te2 -","1","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0218","0.0187","","","0.0373","0.0382","","","","","","1.025","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020214","9.08","0.002","20.95","0.005","9.99","0.004","90","","96.068","0.007","90","","1889.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrachloro(1,4,8,11-tetrathiacyclotetradecane-S,S')tellurium(IV)","","- C10 H20 Cl4 S4 Te -","- C10 H20 Cl4 S4 Te -","- C40 H80 Cl16 S16 Te4 -","4","1","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0466","0.0319","","","0.0603","0.0646","","","","","","1.03","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020215","7.864","0.003","7.253","0.002","17.044","0.006","90","","92.737","0.007","90","","971","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trimethyldiselanium pentafluorotellurate(IV)","","- C3 H9 F5 Se2 Te -","- C3 H9 F5 Se2 Te -","- C12 H36 F20 Se8 Te4 -","4","1","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","","","0.0367","0.0265","","","0.0562","0.0583","","","","","","1.022","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020216","6.804","0.003","10.725","0.005","9.969","0.005","90","","99.156","0.007","90","","718.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","tetrachloro(1,2-bis(methylseleno)benzene-Se,Se')tellurium(IV)","","- C8 H10 Cl4 Se2 Te -","- C8 H10 Cl4 Se2 Te -","- C16 H20 Cl8 Se4 Te2 -","2","0.5","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0452","0.0337","","","0.0799","0.0841","","","","","","1.092","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020217","13.0453","0.0011","13.9325","0.0012","8.0331","0.0007","90","","90","","90","","1460","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Uranyl bis-glutarimidedioxime monohydrate","Uranyl bis-glutarimidedioxime monohydrate","","- C10 H18 N6 O7 U -","- C10 H18 N6 O7 U -","- C40 H72 N24 O28 U4 -","4","0.5","","Tian, Guoxin; Teat, Simon J.; Zhang, Zhiyong; Rao, Linfeng","Sequestering uranium from seawater: binding strength and modes of uranyl complexes with glutarimidedioxime.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11579","11586","10.1039/c2dt30978e","","","0.7749","synchrotron","","0.0437","0.0258","","","0.0565","0.065","","","","","","1.038","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020218","7.1205","0.0007","14.1467","0.0013","13.5789","0.0012","90","","90","","90","","1367.8","0.2","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","Glutarimidedioxime","","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C40 H72 N24 O16 -","8","1","","Tian, Guoxin; Teat, Simon J.; Zhang, Zhiyong; Rao, Linfeng","Sequestering uranium from seawater: binding strength and modes of uranyl complexes with glutarimidedioxime.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11579","11586","10.1039/c2dt30978e","","","0.7749","synchrotron","","0.0508","0.0446","","","0.129","0.1336","","","","","","1.145","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020219","18.888","0.004","10.107","0.002","20.625","0.004","90","","97.49","0.03","90","","3903.7","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cl4 N4 Ni2 O2 -","- C80 H70 Cl4 N4 Ni2 O2 -","- C160 H140 Cl8 N8 Ni4 O4 -","2","0.5","","Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong","Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11999","12010","10.1039/c2dt30989k","","","0.71073","MoKα","","","0.0637","","","0.168","0.1779","","","","","","1.114","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020220","18.912","0.004","20.045","0.004","22.057","0.004","103.16","0.03","109.38","0.03","111.43","0.03","6738","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H76 Cl4 N4 Ni2 O2 -","- C82 H76.6667 Cl4 N4 Ni2 O2 -","- C246 H230 Cl12 N12 Ni6 O6 -","3","1.5","","Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong","Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11999","12010","10.1039/c2dt30989k","","","0.71073","MoKα","","","0.0942","","","0.2709","0.2996","","","","","","1.039","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7020221","14.822","0.003","15.439","0.003","9.767","0.002","90","","95.39","0.03","90","","2225.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Br2 N4 Ni -","- C54 H48 Br2 N4 Ni -","- C108 H96 Br4 N8 Ni2 -","2","0.5","","Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong","Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11999","12010","10.1039/c2dt30989k","","","0.71073","MoKα","","","0.0823","","","0.1943","0.2149","","","","","","1.172","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020222","11.955","0.002","12.075","0.002","14.474","0.003","94.8","0.03","112.89","0.03","93.79","0.03","1907","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H64 Br2 N4 Ni -","- C78 H64 Br2 N4 Ni -","- C78 H64 Br2 N4 Ni -","1","0.5","","Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong","Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11999","12010","10.1039/c2dt30989k","","","0.71073","MoKα","","","0.0538","","","0.1486","0.1538","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020223","15.921","0.003","12.415","0.002","18.706","0.004","90","","112.928","0.003","90","","3405.3","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H72 Br2 N4 Ni -","- C82 H72 Br2 N4 Ni -","- C164 H144 Br4 N8 Ni2 -","2","1","","Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong","Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11999","12010","10.1039/c2dt30989k","","","0.71073","MoKα","","0.096","0.0779","","","0.1413","0.1536","","","","","","1.077","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020224","11.6489","0.0005","20.591","0.001","19.4199","0.0011","90","","98.772","0.003","90","","4603.6","0.4","200.1","","200.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Ge Ir O P3 -","- C56 H46 Ge Ir O P3 -","- C224 H184 Ge4 Ir4 O4 P12 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Facile synthesis of rhodium and iridium complexes bearing a [PEP]-type ligand (E = Ge or Sn) via E-C bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11386","11392","10.1039/c2dt30996c","","","0.7107","MoKα","","","0.0439","","","","0.088","","","","","","1.185","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020225","12.055","0.008","11.354","0.008","37.77","0.03","90","","94.839","0.006","90","","5151","6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 Ir O P3 Sn -","- C62 H52 Ir O P3 Sn -","- C248 H208 Ir4 O4 P12 Sn4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Facile synthesis of rhodium and iridium complexes bearing a [PEP]-type ligand (E = Ge or Sn) via E-C bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11386","11392","10.1039/c2dt30996c","","","0.7107","MoKα","","0.1019","0.0975","","","0.2157","0.2173","","","","","","1.59","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020226","14.955","0.003","14.07","0.003","19.454","0.004","90","","99.418","0.003","90","","4038.3","1.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H64 Cl Ge P2 Rh -","- C40.5 H64 Cl Ge P2 Rh -","- C162 H256 Cl4 Ge4 P8 Rh4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Facile synthesis of rhodium and iridium complexes bearing a [PEP]-type ligand (E = Ge or Sn) via E-C bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11386","11392","10.1039/c2dt30996c","","","0.7107","MoKα","","0.0335","0.0306","","","0.0706","0.0719","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020227","12.0309","0.0007","11.3392","0.0005","38.54","0.002","90","","103.348","0.002","90","","5115.6","0.5","200.1","","200.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 O P3 Rh Sn -","- C62 H52 O P3 Rh Sn -","- C248 H208 O4 P12 Rh4 Sn4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Facile synthesis of rhodium and iridium complexes bearing a [PEP]-type ligand (E = Ge or Sn) via E-C bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11386","11392","10.1039/c2dt30996c","","","0.7107","MoKα","","","0.0428","","","","0.1331","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020228","10.0545","0.0003","15.8268","0.0005","11.3903","0.0004","90","","91.601","0.001","90","","1811.84","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Cl N P Pd -","- C16 H29 Cl N P Pd -","- C64 H116 Cl4 N4 P4 Pd4 -","4","1","","de Boer, Sandra Y.; Gloaguen, Yann; Reek, Joost N. H.; Lutz, Martin; van der Vlugt, Jarl Ivar","N-H bond activation by palladium(II) and copper(I) complexes featuring a reactive bidentate PN-ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11276","11283","10.1039/c2dt31009k","","","0.71073","MoKα","","0.0263","0.0206","","","0.0475","0.0508","","","","","","1.108","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020229","9.8419","0.0003","10.8652","0.0003","11.6779","0.0004","109.987","0.0015","99.6665","0.0015","101.887","0.0015","1109.16","0.06","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H30 F3 N2 O2 P Pd S -","- C17 H30 F3 N2 O2 P Pd S -","- C34 H60 F6 N4 O4 P2 Pd2 S2 -","2","1","","de Boer, Sandra Y.; Gloaguen, Yann; Reek, Joost N. H.; Lutz, Martin; van der Vlugt, Jarl Ivar","N-H bond activation by palladium(II) and copper(I) complexes featuring a reactive bidentate PN-ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11276","11283","10.1039/c2dt31009k","","","0.71073","MoKα","","0.0579","0.0432","","","0.1061","0.1148","","","","","","1.067","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020230","10.6306","0.0005","10.8516","0.0005","11.2839","0.0005","110.42","0.0013","93.6403","0.0014","117.94","0.0012","1036.42","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H27 Cu F3 N2 O2 P S -","- C16 H27 Cu F3 N2 O2 P S -","- C32 H54 Cu2 F6 N4 O4 P2 S2 -","2","1","","de Boer, Sandra Y.; Gloaguen, Yann; Reek, Joost N. H.; Lutz, Martin; van der Vlugt, Jarl Ivar","N-H bond activation by palladium(II) and copper(I) complexes featuring a reactive bidentate PN-ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11276","11283","10.1039/c2dt31009k","","","0.71073","MoKα","","0.0417","0.0269","","","0.0606","0.065","","","","","","1.016","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020231","16.2032","0.0018","16.2032","0.0018","16.2032","0.0018","90","","90","","90","","4254","0.8","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","","","- C18 H12 As Br3 F3 P Se -","- C18 H12 As Br3 F3 P Se -","- C144 H96 As8 Br24 F24 P8 Se8 -","8","0.333333","","Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G.","Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10211","10218","10.1039/c2dt31010d","","x-ray","0.71073","MoKα","","0.0907","0.0631","","","0.1376","0.16","","","","","","1.077","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020232","16.1817","0.0005","16.1817","0.0005","16.1817","0.0005","90","","90","","90","","4237.1","0.2","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","","","- C18 H12 Cl3 F3 P Sb Se -","- C18 H12 Cl3 F3 P Sb Se -","- C144 H96 Cl24 F24 P8 Sb8 Se8 -","8","0.333333","","Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G.","Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10211","10218","10.1039/c2dt31010d","","x-ray","0.71073","MoKα","","0.0711","0.0587","","","0.1551","0.1669","","","","","","1.107","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020233","16.1403","0.0009","16.1403","0.0009","16.1403","0.0009","90","","90","","90","","4204.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","","","- C18 H12 Bi Cl3 F3 P Se -","- C18 H12 Bi Cl3 F3 P Se -","- C144 H96 Bi8 Cl24 F24 P8 Se8 -","8","0.333333","","Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G.","Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10211","10218","10.1039/c2dt31010d","","x-ray","0.71073","MoKα","","0.0632","0.0469","","","0.1005","0.1092","","","","","","1.116","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020234","16.3328","0.0008","16.3328","0.0008","16.3328","0.0008","90","","90","","90","","4356.9","0.4","100","2","100","2","","","","","","","synthesis as described","7","I 2 3","I 2 2 3","197","","","","- C18 H12 Bi Br3 F3 P Se -","- C18 H12 Bi Br3 F3 P Se -","- C144 H96 Bi8 Br24 F24 P8 Se8 -","8","0.333333","","Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G.","Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10211","10218","10.1039/c2dt31010d","","x-ray","0.71073","MoKα","","0.0571","0.0454","","","0.0978","0.1062","","","","","","1.061","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020235","10.766","0.002","22.498","0.004","8.4312","0.0017","90","","94.22","0.03","90","","2036.6","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 Au2 F10 P2 -","- C48 H28 Au2 F10 P2 -","- C96 H56 Au4 F20 P4 -","2","0.5","","Cámara, Jéssica; Crespo, Olga; Gimeno, M Concepción; Koshevoy, Igor O.; Laguna, Antonio; Ospino, Isaura; Smirnova, Ekaterina S.; Tunik, Sergey P.","Emission tuning in dinuclear gold complexes with diphosphanes containing alkyne and/or oligophenylene spacers.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13891","13898","10.1039/c2dt31019h","","","0.71073","MoKα","","0.0192","0.0189","","","0.046","0.0461","","","","","","1.35","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020236","12.807","0.003","15.453","0.003","22.463","0.005","99.99","0.03","91.71","0.03","90.68","0.03","4375.6","1.7","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H52 Au4 Cl4 F20 P4 -","- C94 H52 Au4 Cl4 F20 P4 -","- C188 H104 Au8 Cl8 F40 P8 -","2","1","","Cámara, Jéssica; Crespo, Olga; Gimeno, M Concepción; Koshevoy, Igor O.; Laguna, Antonio; Ospino, Isaura; Smirnova, Ekaterina S.; Tunik, Sergey P.","Emission tuning in dinuclear gold complexes with diphosphanes containing alkyne and/or oligophenylene spacers.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13891","13898","10.1039/c2dt31019h","","","0.71073","MoKα","","0.0975","0.0801","","","0.1898","0.1975","","","","","","1.18","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7020237","12.886","0.003","13.589","0.003","13.618","0.003","106.6","0.03","115.98","0.03","93.65","0.03","2004.4","1.1","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H50 Au4 Cl2 F20 P4 -","- C85 H50 Au4 Cl2 F20 P4 -","- C85 H50 Au4 Cl2 F20 P4 -","1","0.5","","Cámara, Jéssica; Crespo, Olga; Gimeno, M Concepción; Koshevoy, Igor O.; Laguna, Antonio; Ospino, Isaura; Smirnova, Ekaterina S.; Tunik, Sergey P.","Emission tuning in dinuclear gold complexes with diphosphanes containing alkyne and/or oligophenylene spacers.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13891","13898","10.1039/c2dt31019h","","","0.71073","MoKα","","0.027","0.0257","","","0.0606","0.0613","","","","","","1.069","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020238","37.563","0.008","15.648","0.003","23.292","0.005","90","","107.34","0.03","90","","13069","5","110.05","0.1","110.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Mn3Na-tBuSao","","","- C102 H158 Mn3 N6 Na O16 -","- C102 H148 Mn3 N6 Na O16 -","- C408 H592 Mn12 N24 Na4 O64 -","4","0.5","","Zhou, Chang-Long; Wang, Zhe-Ming; Wang, Bing-Wu; Gao, Song","A oximato-bridged linear trinuclear [Mn(IV)Mn(III)Mn(IV)] single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13620","13625","10.1039/c2dt31039b","","","1.5418","CuKα","","0.0804","0.0686","","","0.1873","0.1965","","","","","","1.051","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020239","10.647","0.001","21.768","0.004","18.897","0.004","90","","92.19","0.03","90","","4376.4","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Mn2 N8 O7 -","- C43 H45 Mn2 N8 O7 -","- C172 H180 Mn8 N32 O28 -","4","1","","Viciano-Chumillas, Marta; Giménez-Marqués, Mónica; Tanase, Stefania; Mutikainen, Ilpo; Turpeinen, Urho; Smits, Jan M. M.; de Gelder, René; Jos de Jongh, L.; Reedijk, Jan","Mononuclear and dinuclear manganese compounds stabilized by supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10249","10257","10.1039/c2dt31060k","","","0.71073","MoKα","","0.1119","0.0589","","","0.1475","0.1871","","","","","","1.093","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020240","34.527","0.006","7.828","0.002","23.528","0.005","90","","114.71","0.03","90","","5777","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H60 Mn2 N8 Na O10 -","- C65 H60 Mn2 N8 Na O10 -","- C260 H240 Mn8 N32 Na4 O40 -","4","0.5","","Viciano-Chumillas, Marta; Giménez-Marqués, Mónica; Tanase, Stefania; Mutikainen, Ilpo; Turpeinen, Urho; Smits, Jan M. M.; de Gelder, René; Jos de Jongh, L.; Reedijk, Jan","Mononuclear and dinuclear manganese compounds stabilized by supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10249","10257","10.1039/c2dt31060k","","","0.71073","MoKα","","0.0918","0.0726","","","0.1689","0.1777","","","","","","1.238","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020241","19.861","","11.252","0.002","18.074","0.003","90","","102.35","0.03","90","","3945.6","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Cl Mn N4 O10 -","- C38 H46 Cl Mn N4 O10 -","- C152 H184 Cl4 Mn4 N16 O40 -","4","0.5","","Viciano-Chumillas, Marta; Giménez-Marqués, Mónica; Tanase, Stefania; Mutikainen, Ilpo; Turpeinen, Urho; Smits, Jan M. M.; de Gelder, René; Jos de Jongh, L.; Reedijk, Jan","Mononuclear and dinuclear manganese compounds stabilized by supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10249","10257","10.1039/c2dt31060k","","","0.71073","MoKα","","0.1193","0.0647","","","0.1565","0.1907","","","","","","1.05","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020242","8.692","0.001","12.865","0.001","22.539","0.002","90","","98.32","0.01","90","","2493.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Mn N7 O2 -","- C30 H22 Mn N7 O2 -","- C120 H88 Mn4 N28 O8 -","4","1","","Viciano-Chumillas, Marta; Giménez-Marqués, Mónica; Tanase, Stefania; Mutikainen, Ilpo; Turpeinen, Urho; Smits, Jan M. M.; de Gelder, René; Jos de Jongh, L.; Reedijk, Jan","Mononuclear and dinuclear manganese compounds stabilized by supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10249","10257","10.1039/c2dt31060k","","","0.71073","MoKα","","0.0625","0.0413","","","0.1014","0.111","","","","","","1.045","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020243","11.1408","0.0004","13.807","0.004","18.78","0.007","90","","105.958","0.013","90","","2777.4","1.3","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Mn N6 O5 -","- C31 H29 Mn N6 O5 -","- C124 H116 Mn4 N24 O20 -","4","1","","Viciano-Chumillas, Marta; Giménez-Marqués, Mónica; Tanase, Stefania; Mutikainen, Ilpo; Turpeinen, Urho; Smits, Jan M. M.; de Gelder, René; Jos de Jongh, L.; Reedijk, Jan","Mononuclear and dinuclear manganese compounds stabilized by supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10249","10257","10.1039/c2dt31060k","","","0.71073","MoKα","","0.1403","0.0667","","0.1115","0.092","0.1115","","","1.052","","","1.052","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020244","8.915","0.0003","11.3744","0.0005","13.6985","0.0006","66.433","0.004","77.519","0.003","72.686","0.004","1208.01","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H48 N4 Zn -","- C20 H48 N4 Zn -","- C40 H96 N8 Zn2 -","2","1","","Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Pickrell, Janie-Anne; Robertson, Stuart D.","Accessing low denticity coordination modes of a high denticity tripodal ligand to complete its coordinative repertoire.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10141","10144","10.1039/c2dt31061a","","","0.71073","MoKα","","0.029","0.0246","","","0.059","0.061","","","","","","1.06","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020245","15.1685","0.0003","15.1685","0.0003","14.0288","0.0003","90","","90","","120","","2795.35","0.1","123","2","123","2","","","","","","","","4","P 63","P 6c","173","","","","- C48 H111 Ga3 N4 -","- C48 H111 Ga3 N4 -","- C96 H222 Ga6 N8 -","2","0.333333","","Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Pickrell, Janie-Anne; Robertson, Stuart D.","Accessing low denticity coordination modes of a high denticity tripodal ligand to complete its coordinative repertoire.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10141","10144","10.1039/c2dt31061a","","","0.71073","MoKα","","0.0414","0.0322","","","0.0674","0.0715","","","","","","1.056","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020246","16.766","0.01","14.812","0.009","23.241","0.014","90","","96.68","0.006","90","","5732","6","205","2","205","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 K2 Li2 N12 Np4 O16 -","- C84 H76 K2 Li2 N12 Np4 O16 -","- C168 H152 K4 Li4 N24 Np8 O32 -","2","0.5","","Copping, Roy; Mougel, Victor; Den Auwer, Christophe; Berthon, Claude; Moisy, Philippe; Mazzanti, Marinella","A tetrameric neptunyl(v) cluster supported by a Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10900","10902","10.1039/c2dt31072d","","","0.71073","MoKα","","0.2208","0.1446","","","0.3153","0.3537","","","","","","1.061","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020247","25.793","0.014","5.976","0.002","19.844","0.008","90","","123.24","0.016","90","","2558","2","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H19 N3 O3 Pd S -","- C7 H19 N3 O3 Pd S -","- C56 H152 N24 O24 Pd8 S8 -","8","2","","Yoshinari, Nobuto; Nagao, Yoshinori; Yokoi, Anzu; Igashira-Kamiyama, Asako; Konno, Takumi","Conversion of D-penicillaminato trinuclear to mononuclear palladium(II) structure by diamine ligands: remarkable enantioselectivity toward racemic 1,2-cyclohexanediamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11259","11262","10.1039/c2dt31076g","","","0.71075","MoKα","","0.0307","0.0264","","","0.0584","0.0601","","","","","","1.064","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020248","13.1888","0.0011","19.5017","0.0018","5.625","0.0005","90","","90","","90","","1446.8","0.2","200","2","200","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C11 H25 N3 O3 Pd S -","- C11 H25 N3 O3 Pd S -","- C44 H100 N12 O12 Pd4 S4 -","4","1","","Yoshinari, Nobuto; Nagao, Yoshinori; Yokoi, Anzu; Igashira-Kamiyama, Asako; Konno, Takumi","Conversion of D-penicillaminato trinuclear to mononuclear palladium(II) structure by diamine ligands: remarkable enantioselectivity toward racemic 1,2-cyclohexanediamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11259","11262","10.1039/c2dt31076g","","","0.71075","MoKα","","0.0389","0.035","","","0.0763","0.0787","","","","","","1.076","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020249","14.2896","0.0012","11.4236","0.001","18.1864","0.0015","90","","109.905","0.001","90","","2791.4","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N4 O2 P Pd S -","- C31 H27 N4 O2 P Pd S -","- C124 H108 N16 O8 P4 Pd4 S4 -","4","1","","Ramachandran, Eswaran; Senthil Raja, Duraisamy; Bhuvanesh, Nattamai S. P.; Natarajan, Karuppannan","Mixed ligand palladium(ii) complexes of 6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde 4N-substituted thiosemicarbazones with triphenylphosphine co-ligand: Synthesis, crystal structure and biological properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13308","13323","10.1039/c2dt31079a","","","0.71073","MoKα","","0.035","0.0262","","","0.0613","0.0657","","","","","","1.037","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020250","12.2382","0.0005","12.4005","0.0005","13.5466","0.0005","67.059","0.002","80.237","0.002","81.519","0.002","1858.29","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 N4 O4 P Pd S -","- C42 H41 N4 O4 P Pd S -","- C84 H82 N8 O8 P2 Pd2 S2 -","2","1","","Ramachandran, Eswaran; Senthil Raja, Duraisamy; Bhuvanesh, Nattamai S. P.; Natarajan, Karuppannan","Mixed ligand palladium(ii) complexes of 6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde 4N-substituted thiosemicarbazones with triphenylphosphine co-ligand: Synthesis, crystal structure and biological properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13308","13323","10.1039/c2dt31079a","","","1.54178","CuKα","","0.0397","0.0355","","","0.0969","0.0987","","","","","","1.099","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020251","13.11","0.002","12.08","0.002","24.071","0.004","90","","113.173","0.011","90","","3504.5","1","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38.11 Cl N5 O3.56 P Pd S -","- C35 H38.12 Cl N5 O3.56 P Pd S -","- C140 H152.48 Cl4 N20 O14.24 P4 Pd4 S4 -","4","1","","Ramachandran, Eswaran; Senthil Raja, Duraisamy; Bhuvanesh, Nattamai S. P.; Natarajan, Karuppannan","Mixed ligand palladium(ii) complexes of 6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde 4N-substituted thiosemicarbazones with triphenylphosphine co-ligand: Synthesis, crystal structure and biological properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13308","13323","10.1039/c2dt31079a","","","1.54178","CuKα","","0.0452","0.0355","","","0.0895","0.0915","","","","","","1.014","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020252","9.8863","0.0003","11.3723","0.0004","13.914","0.0005","101.755","0.002","105.532","0.002","103.784","0.002","1402.71","0.09","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 N4 O2 P Pd S -","- C32 H29 N4 O2 P Pd S -","- C64 H58 N8 O4 P2 Pd2 S2 -","2","1","","Ramachandran, Eswaran; Senthil Raja, Duraisamy; Bhuvanesh, Nattamai S. P.; Natarajan, Karuppannan","Mixed ligand palladium(ii) complexes of 6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde 4N-substituted thiosemicarbazones with triphenylphosphine co-ligand: Synthesis, crystal structure and biological properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13308","13323","10.1039/c2dt31079a","","","1.54178","CuKα","","0.025","0.0224","","","0.0544","0.055","","","","","","1.054","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020253","9.7482","0.0007","10.2754","0.0009","10.5529","0.0009","114.473","0.008","108.182","0.007","95.313","0.007","883.45","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 K O9 -","- C18 H17 K O9 -","- C36 H34 K2 O18 -","2","1","","Lombardo, Giuseppe M.; Portalone, Gustavo; Chiacchio, Ugo; Rescifina, Antonio; Punzo, Francesco","Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14337","14344","10.1039/c2dt31092a","","","0.71073","MoKα","","0.0751","0.0508","","","0.1121","0.1209","","","","","","1.037","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020254","12.1541","0.0004","14.5559","0.0005","17.055","0.0005","81.47","0.002","73.532","0.002","66.056","0.002","2642.58","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H44 F18 N7 O7 P3 Pd -","- C39 H44 F18 N7 O7 P3 Pd -","- C78 H88 F36 N14 O14 P6 Pd2 -","2","1","","Alvariño, Cristina; Terenzi, Alessio; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M","[2]Catenanes and inclusion complexes derived from self-assembled rectangular Pd(II) and Pt(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11992","11998","10.1039/c2dt31116j","","","0.71073","MoKα","","0.0957","0.0777","","","0.2267","0.2422","","","","","","1.089","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020255","30.8974","0.0009","21.7294","0.0006","20.8416","0.0006","90","0","118.402","0.0015","90","0","12308.4","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C192 H216 F72 N28 O36 P12 Pd4 -","- C192 H216 F72 N28 O36 P12 Pd4 -","- C384 H432 F144 N56 O72 P24 Pd8 -","2","0.5","","Alvariño, Cristina; Terenzi, Alessio; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M","[2]Catenanes and inclusion complexes derived from self-assembled rectangular Pd(II) and Pt(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11992","11998","10.1039/c2dt31116j","","","0.71073","MoKα","","0.1244","0.0909","","","0.2375","0.2778","","","","","","1.05","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020256","12.3332","0.001","12.6913","0.0012","25.377","0.002","90","","102.052","0.005","90","","3884.6","0.6","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Cl2 F6 Ir N6 P -","- C42.006 H32.012 Cl2.012 F6 Ir N6 P -","- C168.024 H128.048 Cl8.048 F24 Ir4 N24 P4 -","4","1","","Howarth, Ashlee J.; Davies, David L.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.","Atropisomerism in a thermally switchable, cyclometallated iridium complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10150","10152","10.1039/c2dt31120h","","","0.71073","MoKα","","0.0743","0.0504","","","0.1375","0.1662","","","","","","1.301","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020257","17.731","0.0017","23.624","0.002","21.5847","0.0019","90","","107.697","0.004","90","","8613.5","1.4","100","0.2","100","0.2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C47 H44 F6 Ir N6 P -","- C47 H44 F6 Ir N6 P -","- C376 H352 F48 Ir8 N48 P8 -","8","1","","Howarth, Ashlee J.; Davies, David L.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.","Atropisomerism in a thermally switchable, cyclometallated iridium complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10150","10152","10.1039/c2dt31120h","","","0.71069","MoKα","","0.0485","0.0312","","","0.069","0.0786","","","","","","1.065","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020258","29.8427","0.0009","29.8427","0.0009","29.8427","0.0009","90","","90","","90","","26577.5","1.4","296","2","296","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C72 H44 N4 Ni7 O36 -","- C72 H44 N4 Ni7 O36 -","- C432 H264 N24 Ni42 O216 -","6","0.25","","Ren, Guojian; Liu, Shuxia; Wei, Feng; Ma, Fengji; Tang, Qun; Li, Shujun","A polyhedron-based metal-organic framework with a reo-e net.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11562","11564","10.1039/c2dt31122d","","","0.71073","MoKα","","0.1065","0.0637","","","0.1732","0.1884","","","","","","1.026","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020259","9.535","0.003","10.4","0.004","33.062","0.012","90","","91.64","0.018","90","","3277","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O2 Zr -","- C36 H44 N4 O2 Zr -","- C144 H176 N16 O8 Zr4 -","4","1","","Alves, Luis G.; Hild, Frédéric; Munhá, Rui F; Veiros, Luis F.; Dagorne, Samuel; Martins, Ana M.","Synthesis and structural characterization of novel cyclam-based zirconium complexes and their use in the controlled ROP of rac-lactide: access to cyclam-functionalized polylactide materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14288","14298","10.1039/c2dt31133j","","","0.71073","MoKα","","0.1772","0.0846","","","0.2141","0.299","","","","","","0.903","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020260","15.1188","0.0006","14.5903","0.0005","20.5693","0.0007","90","","91.02","0.001","90","","4536.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 S2 Zr -","- C36 H44 N4 S2 Zr -","- C144 H176 N16 S8 Zr4 -","4","1","","Alves, Luis G.; Hild, Frédéric; Munhá, Rui F; Veiros, Luis F.; Dagorne, Samuel; Martins, Ana M.","Synthesis and structural characterization of novel cyclam-based zirconium complexes and their use in the controlled ROP of rac-lactide: access to cyclam-functionalized polylactide materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14288","14298","10.1039/c2dt31133j","","","0.71073","MoKα","","0.0687","0.0462","","","0.1234","0.131","","","","","","0.945","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020261","12.1845","0.0018","19.475","0.004","14.086","0.003","90","","98.659","0.005","90","","3304.4","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 Cl N4 O Zr -","- C27 H41 Cl N4 O Zr -","- C108 H164 Cl4 N16 O4 Zr4 -","4","1","","Alves, Luis G.; Hild, Frédéric; Munhá, Rui F; Veiros, Luis F.; Dagorne, Samuel; Martins, Ana M.","Synthesis and structural characterization of novel cyclam-based zirconium complexes and their use in the controlled ROP of rac-lactide: access to cyclam-functionalized polylactide materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14288","14298","10.1039/c2dt31133j","","","0.71073","MoKα","","0.1528","0.0684","","","0.1649","0.1901","","","","","","0.839","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020262","10.2977","0.0014","10.4483","0.0013","16.902","0.002","98.981","0.01","104.607","0.01","106.546","0.011","1635.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H45 F6 N4 Ni O4 P -","- C29 H45 F6 N4 Ni O4 P -","- C58 H90 F12 N8 Ni2 O8 P2 -","2","1","","Smith, Rachel; Huskens, Dana; Daelemans, Dirk; Mewis, Ryan E.; Garcia, Courtney D.; Cain, Amy N.; Freeman, TaRynn N Carder; Pannecouque, Christophe; De Clercq, Erik; Schols, Dominique; Hubin, Timothy J.; Archibald, Stephen J.","CXCR4 chemokine receptor antagonists: nickel(II) complexes of configurationally restricted macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11369","11377","10.1039/c2dt31137b","","","0.71073","MoKα","","0.1642","0.0852","","","0.2159","0.268","","","","","","0.907","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020263","26.005","0.002","26.005","0.002","17.2968","0.0011","90","","90","","120","","10130","1.3","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C16 H35 F6 N4 Ni O3 P -","- C16 H35 F6 N4 Ni O3 P -","- C288 H630 F108 N72 Ni18 O54 P18 -","18","1","","Smith, Rachel; Huskens, Dana; Daelemans, Dirk; Mewis, Ryan E.; Garcia, Courtney D.; Cain, Amy N.; Freeman, TaRynn N Carder; Pannecouque, Christophe; De Clercq, Erik; Schols, Dominique; Hubin, Timothy J.; Archibald, Stephen J.","CXCR4 chemokine receptor antagonists: nickel(II) complexes of configurationally restricted macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11369","11377","10.1039/c2dt31137b","","","0.71073","MoKα","","0.1165","0.0404","","","0.0717","0.0815","","","","","","0.681","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020264","24.0111","0.0004","14.0491","0.0003","23.3703","0.0004","90","","98.147","0.001","90","","7804","0.3","123","1","123","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Er2Mn2(ccnm)6(dcnm)2(H2O)2(O)2]","[Bis(aqua)hexakis(carbamoylcyanonitrosomethanido)bis (dicyanonitrosomethanido)bis(oxo)dimanganese(III)dierbium (III)].undecaacetonitrile.monohydrate","","- C46 H51 Er2 Mn2 N35 O19 -","- C46 H51 Er2 Mn2 N35 O19 -","- C184 H204 Er8 Mn8 N140 O76 -","4","0.5","","Chesman, Anthony S. R.; Turner, David R.; Berry, Kevin J.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.","Ln(III)2Mn(III)2 heterobimetallic ""butterfly"" complexes displaying antiferromagnetic coupling (Ln = Eu, Gd, Tb, Er).","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11402","11412","10.1039/c2dt31144e","","","0.71073","MoKα","","0.0671","0.0487","","","0.1292","0.1413","","","","","","1.02","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020265","12.0873","0.001","13.5327","0.0012","13.537","0.0011","89.992","0.004","112.274","0.004","90.175","0.004","2049.1","0.3","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Gd2Mn2(O)2(ccnm)6(dcnm)2(H2O)2].3H2O.8MeCN","[Bis(aqua)hexakis(carbamoylcyanonitrosomethanide)bis (dicyanonitrosomethanide)bis(oxo)dimanganese(III)digadolinium (III)].trihydrate.octaacetonitrile","","- C40 H46 Gd2 Mn2 N32 O21 -","- C40 H44 Gd2 Mn2 N32 O21 -","- C40 H44 Gd2 Mn2 N32 O21 -","1","0.5","","Chesman, Anthony S. R.; Turner, David R.; Berry, Kevin J.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.","Ln(III)2Mn(III)2 heterobimetallic ""butterfly"" complexes displaying antiferromagnetic coupling (Ln = Eu, Gd, Tb, Er).","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11402","11412","10.1039/c2dt31144e","","","0.71073","MoKα","","0.0542","0.0463","","","0.126","0.1347","","","","","","1.076","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020266","12.0839","0.0005","13.5201","0.0006","13.5658","0.0006","90.072","0.002","112.601","0.002","90.587","0.002","2045.97","0.16","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Tb2Mn2(O)2(ccnm)6(dcnm)2(H2O)2].3H2O.8MeCN","[Bis(aqua)hexakis(carbamoylcyanonitrosomethanide)bis (dicyanonitrosomethanide)bis(oxo)dimanganese(III)diterbium (III)].trihydrate.octaacetonitrile","","- C40 H46 Mn2 N32 O21 Tb2 -","- C40 H44 Mn2 N32 O21 Tb2 -","- C40 H44 Mn2 N32 O21 Tb2 -","1","0.5","","Chesman, Anthony S. R.; Turner, David R.; Berry, Kevin J.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.","Ln(III)2Mn(III)2 heterobimetallic ""butterfly"" complexes displaying antiferromagnetic coupling (Ln = Eu, Gd, Tb, Er).","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11402","11412","10.1039/c2dt31144e","","","0.71073","MoKα","","0.0478","0.0411","","","0.1081","0.1158","","","","","","1.119","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020267","10.991","0.002","16.979","0.002","14.863","0.002","90","","104.191","0.019","90","","2689","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 Al3 N5 O16 P4 -","- C13 H27 Al3 N5 O16 P4 -","- C52 H108 Al12 N20 O64 P16 -","4","1","","Wei, Ying; Marler, Bernd; Zhang, Ling; Tian, Zhijian; Graetsch, Heribert; Gies, Hermann","Co-templating ionothermal synthesis and structure characterization of two new 2D layered aluminophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12408","12415","10.1039/c2dt31150j","","","0.71073","MoKα","","0.2015","0.0954","","","0.1811","0.23","","","","","","0.899","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020268","12.9165","0.0002","13.046","0.0002","9.8873","0.0002","70.585","0.001","99.547","0.002","119.438","0.002","1368.47","0.05","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Al3 N4 O17 P4 -","- C15.9166 Al3 N4.85713 O17.25 P4 -","- C31.8333 Al6 N9.71426 O34.5 P8 -","2","1","","Wei, Ying; Marler, Bernd; Zhang, Ling; Tian, Zhijian; Graetsch, Heribert; Gies, Hermann","Co-templating ionothermal synthesis and structure characterization of two new 2D layered aluminophosphates.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12408","12415","10.1039/c2dt31150j","powder diffraction","","1.5406","CuKα1","","","","","","","","","2.3784","1.522","","","","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020269","8.408","0.004","20.572","0.01","24.726","0.013","90","","99.789","0.007","90","","4215","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Fe2 K4 N16 O2 -","- C36 H26 Fe2 K4 N16 O2 -","- C144 H104 Fe8 K16 N64 O8 -","4","1","","Krüger, Christoph; Sato, Hiroki; Matsumoto, Takuto; Shiga, Takuya; Newton, Graham N.; Renz, Franz; Oshio, Hiroki","A rectangular Ni-Fe cluster with unusual cyanide bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11270","11272","10.1039/c2dt31152f","","","0.71073","MoKα","","0.1089","0.074","","","0.1833","0.2024","","","","","","0.954","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020270","13.334","0.002","20.437","0.003","11.9421","0.0018","90","","90","","90","","3254.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H46 Fe2 N20 Ni2 O8 -","- C64 H46 Fe2 N20 Ni2 O8 -","- C128 H92 Fe4 N40 Ni4 O16 -","2","0.5","","Krüger, Christoph; Sato, Hiroki; Matsumoto, Takuto; Shiga, Takuya; Newton, Graham N.; Renz, Franz; Oshio, Hiroki","A rectangular Ni-Fe cluster with unusual cyanide bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11270","11272","10.1039/c2dt31152f","","","0.71073","MoKα","","0.0482","0.0395","","","0.0979","0.1024","","","","","","1.043","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020271","13.319","0.002","20.39","0.003","11.9344","0.0018","90","","90","","90","","3241.1","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H44 Fe2 N20 Ni2 O8 -","- C64 H44 Fe2 N20 Ni2 O8 -","- C128 H88 Fe4 N40 Ni4 O16 -","2","0.5","","Krüger, Christoph; Sato, Hiroki; Matsumoto, Takuto; Shiga, Takuya; Newton, Graham N.; Renz, Franz; Oshio, Hiroki","A rectangular Ni-Fe cluster with unusual cyanide bridges.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11270","11272","10.1039/c2dt31152f","","","0.71073","MoKα","","0.0628","0.0498","","","0.1003","0.1039","","","","","","1.002","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7020272","11.446","0.007","13.148","0.008","13.638","0.008","104.612","0.011","110.11","0.01","106.666","0.01","1700.1","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Bi2 Fe3 O12 -","- C36 H24 Bi2 Fe3 O12 -","- C72 H48 Bi4 Fe6 O24 -","2","1","","Chandrasekhar, Vadapalli; Metre, Ramesh K.","Bismuth-ferrocene carboxylates: synthesis and structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11684","11691","10.1039/c2dt31153d","","","0.71073","MoKα","","0.0826","0.0579","","","0.1552","0.192","","","","","","1.07","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020273","14.261","0.005","14.261","0.005","12.252","0.005","90","0.005","90","0.005","120","0.005","2157.9","1.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C33 H27 Bi Fe3 O6 -","- C33 H27 Bi Fe3 O6 -","- C99 H81 Bi3 Fe9 O18 -","3","1","","Chandrasekhar, Vadapalli; Metre, Ramesh K.","Bismuth-ferrocene carboxylates: synthesis and structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11684","11691","10.1039/c2dt31153d","","","0.71069","MoKα","","0.0491","0.0409","","","0.0754","0.0794","","","","","","0.879","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020274","9.651","0.005","14.309","0.005","28.339","0.005","90","0.005","92.384","0.005","90","0.005","3910","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H82 Bi2 Fe8 O20 -","- C88 H82 Bi2 Fe8 O20 -","- C176 H164 Bi4 Fe16 O40 -","2","0.5","","Chandrasekhar, Vadapalli; Metre, Ramesh K.","Bismuth-ferrocene carboxylates: synthesis and structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11684","11691","10.1039/c2dt31153d","","","0.71069","MoKα","","0.0405","0.0325","","","0.0716","0.0762","","","","","","1.062","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020275","12.7104","0.0006","21.9632","0.0011","8.7001","0.0005","90","","94.692","0.002","90","","2420.6","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu F6 N4 P -","- C24 H24 Cu F6 N4 P -","- C96 H96 Cu4 F24 N16 P4 -","4","1","","Bozic-Weber, Biljana; Chaurin, Valerie; Constable, Edwin C.; Housecroft, Catherine E.; Meuwly, Markus; Neuburger, Markus; Rudd, Jennifer A.; Schönhofer, Ewald; Siegfried, Liselotte","Exploring copper(i)-based dye-sensitized solar cells: a complementary experimental and TD-DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14157","14169","10.1039/c2dt31159c","","","0.71073","MoKα","","0.037","0.0301","","0.045","0.0312","0.0293","","","","","","1.0891","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020276","15.1209","0.0002","15.1209","0.0002","18.2971","0.0004","90","","90","","90","","4183.48","0.12","123","","123","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C100 H76 Cu F6 N8 P -","- C100 H76 Cu F6 N8 P -","- C200 H152 Cu2 F12 N16 P2 -","2","0.25","","Bozic-Weber, Biljana; Chaurin, Valerie; Constable, Edwin C.; Housecroft, Catherine E.; Meuwly, Markus; Neuburger, Markus; Rudd, Jennifer A.; Schönhofer, Ewald; Siegfried, Liselotte","Exploring copper(i)-based dye-sensitized solar cells: a complementary experimental and TD-DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14157","14169","10.1039/c2dt31159c","","","0.71073","MoKα","","0.0902","0.0494","","0.1193","0.0524","0.0465","","","","","","1.0236","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020277","15.1209","0.0002","15.1209","0.0002","18.2971","0.0004","90","","90","","90","","4183.48","0.12","123","","123","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C101 H84 Cu F6 N8 O3 P -","- C101 H76 Cu F6 N8 O3 P -","- C202 H152 Cu2 F12 N16 O6 P2 -","2","0.25","","Bozic-Weber, Biljana; Chaurin, Valerie; Constable, Edwin C.; Housecroft, Catherine E.; Meuwly, Markus; Neuburger, Markus; Rudd, Jennifer A.; Schönhofer, Ewald; Siegfried, Liselotte","Exploring copper(i)-based dye-sensitized solar cells: a complementary experimental and TD-DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14157","14169","10.1039/c2dt31159c","","","0.71073","MoKα","","0.0965","0.0535","","0.1233","0.0533","0.0472","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020278","8.936","0.0003","15.3904","0.0005","26.8164","0.0009","90","","90","","90","","3688","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C50 H38 N4 -","- C50 H38 N4 -","- C200 H152 N16 -","4","0.5","","Bozic-Weber, Biljana; Chaurin, Valerie; Constable, Edwin C.; Housecroft, Catherine E.; Meuwly, Markus; Neuburger, Markus; Rudd, Jennifer A.; Schönhofer, Ewald; Siegfried, Liselotte","Exploring copper(i)-based dye-sensitized solar cells: a complementary experimental and TD-DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14157","14169","10.1039/c2dt31159c","","","1.54178","CuKα","","0.0629","0.0478","","0.0554","0.0384","0.0384","","","","","","1.041","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020279","6.703","0.003","14.393","0.005","25.105","0.009","90","","94.326","0.006","90","","2415.1","1.6","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H34 Co Fe2 N14 O2 -","- C56 H34 Co Fe2 N14 O2 -","- C112 H68 Co2 Fe4 N28 O4 -","2","0.5","","Kang, Soonchul; Kanegawa, Shinji; Sato, Osamu","Slow magnetic relaxation in a 4,2-ribbon like Fe(III)(2)Co(II) heterobimetallic chain.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13575","13577","10.1039/c2dt31168b","","","0.71075","MoKα","","","0.0491","","","","0.1163","","","","","","1.005","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020280","9.616","0.002","19.837","0.006","15.774","0.008","90","","95.295","0.003","90","","2996.1","1.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu N5 O14 Tb -","- C24 H30 Cu N5 O14 Tb -","- C96 H120 Cu4 N20 O56 Tb4 -","4","1","","Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki","Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13609","13619","10.1039/c2dt31169k","","","0.7107","MoKα","","","0.0254","","","","0.0333","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020281","9.629","0.008","19.843","0.018","15.73","0.015","90","","95.317","0.011","90","","2993","5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu Dy N5 O14 -","- C24 H30 Cu Dy N5 O14 -","- C96 H120 Cu4 Dy4 N20 O56 -","4","1","","Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki","Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13609","13619","10.1039/c2dt31169k","","","0.7107","MoKα","","","0.0388","","","","0.0529","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020282","9.634","0.003","19.842","0.005","15.698","0.009","90","","95.53","0.004","90","","2987","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu Ho N5 O14 -","- C24 H30 Cu Ho N5 O14 -","- C96 H120 Cu4 Ho4 N20 O56 -","4","1","","Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki","Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13609","13619","10.1039/c2dt31169k","","","0.7107","MoKα","","","0.0263","","","","0.0354","","","","","","0.892","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020283","9.635","0.005","19.833","0.004","15.689","0.004","90","","95.471","0.002","90","","2984.4","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu Er N5 O14 -","- C24 H30 Cu Er N5 O14 -","- C96 H120 Cu4 Er4 N20 O56 -","4","1","","Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki","Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13609","13619","10.1039/c2dt31169k","","","0.7107","MoKα","","","0.0232","","","","0.0319","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020284","9.911","0.003","17.547","0.004","18.243","0.009","90","","105.524","0.004","90","","3056.9","1.9","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N5 O15 Tb V -","- C24 H30 N5 O15 Tb V -","- C96 H120 N20 O60 Tb4 V4 -","4","1","","Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki","Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13609","13619","10.1039/c2dt31169k","","","0.7107","MoKα","","","0.0239","","","","0.035","","","","","","0.943","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020285","9.909","0.003","17.535","0.003","18.241","0.009","90","","105.49","0.004","90","","3054.3","1.8","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Dy N5 O15 V -","- C24 H30 Dy N5 O15 V -","- C96 H120 Dy4 N20 O60 V4 -","4","1","","Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki","Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13609","13619","10.1039/c2dt31169k","","","0.7107","MoKα","","","0.0278","","","","0.0453","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020286","9.911","0.002","17.521","0.007","18.25","0.005","90","","105.498","0.004","90","","3053.9","1.6","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ho N5 O15 V -","- C24 H30 Ho N5 O15 V -","- C96 H120 Ho4 N20 O60 V4 -","4","1","","Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki","Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13609","13619","10.1039/c2dt31169k","","","0.7107","MoKα","","","0.0315","","","","0.0691","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020287","9.903","0.003","17.515","0.004","18.236","0.008","90","","105.452","0.004","90","","3048.7","1.8","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Er N5 O15 V -","- C24 H30 Er N5 O15 V -","- C96 H120 Er4 N20 O60 V4 -","4","1","","Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki","Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13609","13619","10.1039/c2dt31169k","","","0.7107","MoKα","","","0.0221","","","","0.0292","","","","","","0.951","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020288","21.2224","0.0004","21.2224","0.0004","28.017","0.0007","90","","90","","120","","10928","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C46 H52 Cl4 N6 Pd2 -","- C46 H52 Cl4 N6 Pd2 -","- C414 H468 Cl36 N54 Pd18 -","9","0.5","","Yang, Jin; Wang, Lei","Synthesis and characterization of dinuclear NHC-palladium complexes and their applications in the Hiyama reactions of aryltrialkyoxysilanes with aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12031","12037","10.1039/c2dt31174g","","","0.71073","MoKα","","0.0355","0.0286","","","0.076","0.0795","","","","","","1.086","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020289","11.785","0.005","19.42","0.008","14.692","0.006","90","","107.196","0.004","90","","3212","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 Cl4 N6 Pd2 -","- C58 H76 Cl4 N6 Pd2 -","- C116 H152 Cl8 N12 Pd4 -","2","0.5","","Yang, Jin; Wang, Lei","Synthesis and characterization of dinuclear NHC-palladium complexes and their applications in the Hiyama reactions of aryltrialkyoxysilanes with aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12031","12037","10.1039/c2dt31174g","","","0.71073","MoKα","","0.1398","0.0588","","","0.1441","0.1858","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020290","19.2748","0.0005","19.2748","0.0005","13.3673","0.0006","90","","90","","90","","4966.2","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H60 Cl4 N6 Pd2 -","- C48 H60 Cl4 N6 Pd2 -","- C192 H240 Cl16 N24 Pd8 -","4","0.5","","Yang, Jin; Wang, Lei","Synthesis and characterization of dinuclear NHC-palladium complexes and their applications in the Hiyama reactions of aryltrialkyoxysilanes with aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12031","12037","10.1039/c2dt31174g","","","0.71073","MoKα","","0.0898","0.0504","","","0.0967","0.111","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020291","10.3381","0.0005","12.6101","0.0005","8.2479","0.0003","90","","105.117","0.0013","90","","1038.03","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Mn2 N16 -","- C14 H14 Mn2 N16 -","- C28 H28 Mn4 N32 -","2","0.5","","Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T. S. Andy","Chelating Schiff base assisted azide-bridged Mn(ii), Ni(ii) and Cu(ii) magnetic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13379","13387","10.1039/c2dt31186k","","","0.71073","MoKα","","0.116","0.0344","","","0.0517","0.0613","","","","","","0.856","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020292","12.4066","0.0011","19.6819","0.0012","8.0216","0.0005","90","","108.102","0.002","90","","1861.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl N7 Ni O4 -","- C14 H16 Cl N7 Ni O4 -","- C56 H64 Cl4 N28 Ni4 O16 -","4","1","","Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T. S. Andy","Chelating Schiff base assisted azide-bridged Mn(ii), Ni(ii) and Cu(ii) magnetic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13379","13387","10.1039/c2dt31186k","","","0.71073","MoKα","","0.2377","0.056","","","0.0642","0.0884","","","","","","0.82","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020293","9.5342","0.0002","19.6392","0.0004","7.019","0.0001","90","","94.9956","0.0007","90","","1309.27","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cu N9 -","- C11 H9 Cu N9 -","- C44 H36 Cu4 N36 -","4","1","","Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T. S. Andy","Chelating Schiff base assisted azide-bridged Mn(ii), Ni(ii) and Cu(ii) magnetic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13379","13387","10.1039/c2dt31186k","","","0.71073","MoKα","","0.088","0.0337","","","0.0678","0.0775","","","","","","0.842","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020294","9.818","0.002","19.765","0.004","7.0159","0.0014","90","","101.68","0.03","90","","1333.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cu N8 -","- C10 H14 Cu N8 -","- C40 H56 Cu4 N32 -","4","1","","Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T. S. Andy","Chelating Schiff base assisted azide-bridged Mn(ii), Ni(ii) and Cu(ii) magnetic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13379","13387","10.1039/c2dt31186k","","","0.71073","MoKα","","0.0519","0.0343","","","0.0909","0.0971","","","","","","1.051","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020295","7.2655","0.0008","10.0013","0.0013","5.3564","0.0006","90","","90","","90","","389.22","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co2 F2 O3 Se -","- Co2 F2 O3 Se -","- Co8 F8 O12 Se4 -","4","0.5","","Hu, Shichao; Johnsson, Mats","Synthesis and crystal structure of two synthetic oxofluoride framework compounds - Co(2)TeO(3)F(2) and Co(2)SeO(3)F(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12786","12789","10.1039/c2dt31188g","","","0.71073","MoKα","","0.0647","0.0369","","","0.0615","0.0657","","","","","","0.944","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020296","7.381","0.0005","10.1936","0.0007","5.3013","0.0003","90","","90","","90","","398.86","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co2 F2 O3 Te -","- Co2 F2 O3 Te -","- Co8 F8 O12 Te4 -","4","0.5","","Hu, Shichao; Johnsson, Mats","Synthesis and crystal structure of two synthetic oxofluoride framework compounds - Co(2)TeO(3)F(2) and Co(2)SeO(3)F(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12786","12789","10.1039/c2dt31188g","","","0.71073","MoKα","","0.0307","0.0254","","","0.0584","0.0592","","","","","","1.134","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020297","10.7762","0.0005","17.3586","0.0008","33.5473","0.0016","90","","90","","90","","6275.3","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C29 H30 B10 Fe O3 P2 -","- C29 H30 B10 Fe O3 P2 -","- C232 H240 B80 Fe8 O24 P16 -","8","1","","Karnahl, Michael; Tschierlei, Stefanie; Erdem, Özlen F; Pullen, Sonja; Santoni, Marie-Pierre; Reijerse, Edward J.; Lubitz, Wolfgang; Ott, Sascha","Mixed-valence [Fe(I)Fe(II)] hydrogenase active site model complexes stabilized by a bidentate carborane bis-phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12468","12477","10.1039/c2dt31192e","","","0.71073","MoKα","","0.059","0.0337","","","0.0813","0.093","","","","","","0.929","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020298","18.7877","0.0016","9.4348","0.0008","22.2555","0.0019","90","","101.27","0.002","90","","3868.9","0.6","100","","100","","","","","","","","Synthesized by the authors. See text","8","P 1 21/c 1","-P 2ybc","14","","","","- C33.35 H36.7 B10 Cl0.7 Fe2 O4 P2 S2 -","- C33.35 H36.7 B10 Cl0.7 Fe2 O4 P2 S2 -","- C133.4 H146.8 B40 Cl2.8 Fe8 O16 P8 S8 -","4","1","","Karnahl, Michael; Tschierlei, Stefanie; Erdem, Özlen F; Pullen, Sonja; Santoni, Marie-Pierre; Reijerse, Edward J.; Lubitz, Wolfgang; Ott, Sascha","Mixed-valence [Fe(I)Fe(II)] hydrogenase active site model complexes stabilized by a bidentate carborane bis-phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12468","12477","10.1039/c2dt31192e","","","0.71073","MoKα","","0.1034","0.0452","","","0.0864","0.0955","","","","","","0.794","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020299","11.7275","0.0012","16.8802","0.0018","20.134","0.002","90","","90","","90","","3985.8","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 B10 Fe2 O4 P2 S2 -","- C36 H34 B10 Fe2 O4 P2 S2 -","- C144 H136 B40 Fe8 O16 P8 S8 -","4","1","","Karnahl, Michael; Tschierlei, Stefanie; Erdem, Özlen F; Pullen, Sonja; Santoni, Marie-Pierre; Reijerse, Edward J.; Lubitz, Wolfgang; Ott, Sascha","Mixed-valence [Fe(I)Fe(II)] hydrogenase active site model complexes stabilized by a bidentate carborane bis-phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12468","12477","10.1039/c2dt31192e","","","0.71073","MoKα","","0.1064","0.0497","","","0.0945","0.1056","","","","","","0.775","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020300","39.9096","0.0017","12.464","0.0015","25.867","0.0012","90","","125.963","0.003","90","","10414.6","1.5","291","2","291","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C90 H120 Co2 Dy2 N4 O25 P6 -","- C90 H120 Co2 Dy2 N4 O25 P6 -","- C360 H480 Co8 Dy8 N16 O100 P24 -","4","1","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0668","0.0519","","","0.1149","0.1219","","","","","","1.079","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020301","39.9497","0.0018","12.5044","0.0014","25.8121","0.0011","90","","125.965","0.003","90","","10436.4","1.4","291","2","291","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C90 H120 Co2 Dy2 N4 O25 P6 -","- C90 H120 Co2 Dy2 N4 O25 P6 -","- C360 H480 Co8 Dy8 N16 O100 P24 -","4","1","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.064","0.0501","","","0.1055","0.1086","","","","","","1.039","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020302","13.1092","0.0018","22.9446","0.0013","16.1544","0.0015","90","","101.522","0.003","90","","4761.1","0.8","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co Dy N2 O12.125 P3 -","- C38 H57.25 Cl2 Co Dy N2 O12.125 P3 -","- C152 H229 Cl8 Co4 Dy4 N8 O48.5 P12 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0651","0.0521","","","0.107","0.1126","","","","","","1.013","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020303","13.1028","0.0012","23.2828","0.0018","16.3066","0.0013","90","","100.449","0.002","90","","4892.2","0.7","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co Dy N2 O12.125 P3 -","- C38 H57.25 Cl2 Co Dy N2 O12.125 P3 -","- C152 H229 Cl8 Co4 Dy4 N8 O48.5 P12 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0632","0.0531","","","0.1197","0.1245","","","","","","1.064","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020304","13.0648","0.0014","23.3116","0.0011","16.3629","0.0015","90","","100.807","0.003","90","","4895.1","0.7","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co N2 O12.125 P3 Tb -","- C38 H57.25 Cl2 Co N2 O12.125 P3 Tb -","- C152 H229 Cl8 Co4 N8 O48.5 P12 Tb4 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0687","0.0534","","","0.0988","0.1013","","","","","","1.058","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020305","13.117","0.0016","23.0445","0.0018","16.185","0.0012","90","","101.49","0.003","90","","4794.3","0.8","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co N2 O12.125 P3 Tb -","- C38 H57.25 Cl2 Co N2 O12.125 P3 Tb -","- C152 H229 Cl8 Co4 N8 O48.5 P12 Tb4 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0555","0.0452","","","0.0858","0.0877","","","","","","1.081","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020306","13.0493","0.0016","22.9566","0.0018","16.141","0.002","90","","101.526","0.002","90","","4737.8","0.9","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co Ho N2 O12.13 P3 -","- C38 H57.25 Cl2 Co Ho N2 O12.125 P3 -","- C152 H229 Cl8 Co4 Ho4 N8 O48.5 P12 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0633","0.0532","","","0.1282","0.1324","","","","","","1.058","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020307","13.0518","0.0016","22.9487","0.0014","16.1451","0.0013","90","","101.638","0.003","90","","4736.4","0.8","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H57.25 Cl2 Co Ho N2 O12.125 P3 -","- C38 H57.25 Cl2 Co Ho N2 O12.125 P3 -","- C152 H229 Cl8 Co4 Ho4 N8 O48.5 P12 -","4","2","","Yao, Min-Xia; Zheng, Qi; Gao, Feng; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin","Field-induced slow magnetic relaxation in chiral seven-coordinated mononuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13682","13690","10.1039/c2dt31203d","","","0.71073","MoKα","","0.0736","0.0577","","","0.1142","0.1172","","","","","","1.064","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020308","8.583","0.0003","6.422","0.0003","9.2358","0.0004","90","","102.46","0.003","90","","497.09","0.04","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2,3,4-tetrahydroacridine","","- C13 H13 N -","- C13 H13 N -","- C26 H26 N2 -","2","1","","Borowski, Andrzej F.; Vendier, Laure; Sabo-Etienne, Sylviane; Rozycka-Sokolowska, Ewa; Gaudyn, Alicja V.","Catalyzed hydrogenation of condensed three-ring arenes and their N-heteroaromatic analogues by a bis(dihydrogen) ruthenium complex","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14117","14125","10.1039/c2dt31205k","","","1.54184","CuKα","","0.039","0.0381","","","0.1047","0.1066","","","","","","1.08","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020309","6.2543","0.0004","7.8898","0.0005","10.5305","0.0007","90","","99.611","0.007","90","","512.34","0.06","290","2","290","2","","","","","","","","2","P 1 21 1","P 2yb","4","","1,2,3,4-tetrahydroanthracene","","- C14 H14 -","- C14 H14 -","- C28 H28 -","2","1","","Borowski, Andrzej F.; Vendier, Laure; Sabo-Etienne, Sylviane; Rozycka-Sokolowska, Ewa; Gaudyn, Alicja V.","Catalyzed hydrogenation of condensed three-ring arenes and their N-heteroaromatic analogues by a bis(dihydrogen) ruthenium complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14117","14125","10.1039/c2dt31205k","","","1.54184","CuKα","","0.0462","0.044","","","0.1311","0.1342","","","","","","1.103","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020310","6.9319","0.0011","11.2138","0.0016","13.945","0.002","90","","90","","90","","1084","0.3","180","2","180","","","","","","","","synthesis as described","2","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 -","- C15 H16 -","- C60 H64 -","4","1","","Borowski, Andrzej F.; Vendier, Laure; Sabo-Etienne, Sylviane; Rozycka-Sokolowska, Ewa; Gaudyn, Alicja V.","Catalyzed hydrogenation of condensed three-ring arenes and their N-heteroaromatic analogues by a bis(dihydrogen) ruthenium complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14117","14125","10.1039/c2dt31205k","","","0.71073","MoKα","","0.0542","0.0449","","","0.1208","0.1257","","","","","","1.018","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020311","10.403","0.002","12.914","0.003","17.17","0.003","102.93","0.03","90.6","0.03","94.86","0.03","2239.1","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 Al N O -","- C52 H58 Al N O -","- C104 H116 Al2 N2 O2 -","2","1","","Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Dimethylaluminium aldiminophenolates: synthesis, characterization and ring-opening polymerization behavior towards lactides.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11587","11596","10.1039/c2dt31215h","","","0.71073","MoKα","","","0.0759","","","0.1869","0.2029","","","","","","1.185","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020312","12.114","0.002","15.129","0.003","23.294","0.005","90","","99.69","0.03","90","","4208.2","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Al N O -","- C49 H52 Al N O -","- C196 H208 Al4 N4 O4 -","4","1","","Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Dimethylaluminium aldiminophenolates: synthesis, characterization and ring-opening polymerization behavior towards lactides.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11587","11596","10.1039/c2dt31215h","","","0.71073","MoKα","","0.0976","0.0844","","","0.1978","0.2118","","","","","","1.236","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020313","10.054","0.002","14.116","0.003","15.935","0.003","91.37","0.03","98.6","0.03","90.67","0.03","2235.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H48 Al N O -","- C47 H48 Al N O -","- C94 H96 Al2 N2 O2 -","2","1","","Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Dimethylaluminium aldiminophenolates: synthesis, characterization and ring-opening polymerization behavior towards lactides.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11587","11596","10.1039/c2dt31215h","","","0.71073","MoKα","","","0.0783","","","0.2098","0.2214","","","","","","1.114","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020314","10.5947","0.0004","10.9861","0.0004","16.2575","0.0006","91.31","0.003","96.397","0.003","115.717","0.003","1688.87","0.12","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H60 N9 Sc -","- C27 H60 N9 Sc -","- C54 H120 N18 Sc2 -","2","1","","Milanov, Andrian P.; Xu, Ke; Cwik, Stefan; Parala, Harish; de Los Arcos, Teresa; Becker, Hans-Werner; Rogalla, Detlef; Cross, Richard; Paul, Shashi; Devi, Anjana","Sc(2)O(3), Er(2)O(3), and Y(2)O(3) thin films by MOCVD from volatile guanidinate class of rare-earth precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13936","13947","10.1039/c2dt31219k","","","0.71073","MoKα","","0.0653","0.0342","","","0.0683","0.073","","","","","","0.865","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020315","10.7927","0.0008","11.2679","0.0008","16.2633","0.0008","91.563","0.005","95.488","0.005","115.364","0.007","1773.8","0.2","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H60 Er N9 -","- C27 H60 Er N9 -","- C54 H120 Er2 N18 -","2","1","","Milanov, Andrian P.; Xu, Ke; Cwik, Stefan; Parala, Harish; de Los Arcos, Teresa; Becker, Hans-Werner; Rogalla, Detlef; Cross, Richard; Paul, Shashi; Devi, Anjana","Sc(2)O(3), Er(2)O(3), and Y(2)O(3) thin films by MOCVD from volatile guanidinate class of rare-earth precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13936","13947","10.1039/c2dt31219k","","","0.71073","MoKα","","0.0433","0.0278","","","0.0368","0.0377","","","","","","0.767","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020316","20.6064","0.0016","6.1496","0.0003","28.352","0.002","90","","90","","90","","3592.8","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H29 N O2 -","- C19 H29 N O2 -","- C152 H232 N8 O16 -","8","2","","Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11980","11983","10.1039/c2dt31220d","","","0.71073","MoKα","","0.0702","0.0557","","","0.1227","0.1294","","","","","","1.108","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020317","10.7837","0.0006","11.0362","0.0004","19.811","0.0011","101.642","0.003","93.665","0.002","117.839","0.003","2007.62","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H63 B F4 N2 O3 -","- C39 H63 B F4 N2 O3 -","- C78 H126 B2 F8 N4 O6 -","2","1","","Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11980","11983","10.1039/c2dt31220d","","","0.71073","MoKα","","0.0867","0.0736","","","0.2153","0.2279","","","","","","1.031","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020318","11.1501","0.0014","11.5801","0.001","16.331","0.002","74.761","0.007","80.257","0.006","81.093","0.007","1991.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C80.5 H126 Li4 N4 O6 -","- C80.5 H126 Li4 N4 O6 -","- C80.5 H126 Li4 N4 O6 -","1","0.5","","Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11980","11983","10.1039/c2dt31220d","","","0.71073","MoKα","","0.1491","0.0774","","","0.1983","0.2338","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020319","9.3601","0.0005","12.7048","0.0009","16.1239","0.0012","73.543","0.003","77.583","0.004","79.236","0.004","1779.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H94 Cl4 N4 O2 Zr2 -","- C68 H94 Cl4 N4 O2 Zr2 -","- C68 H94 Cl4 N4 O2 Zr2 -","1","0.5","","Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11980","11983","10.1039/c2dt31220d","","","0.71073","MoKα","","0.0877","0.0767","","","0.2167","0.224","","","","","","1.08","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020320","41.3998","0.0007","13.7026","0.0003","18.7083","0.0005","90","","111.595","0.0007","90","","9868","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H61.5 Cl N5.5 O Yb -","- C48.5 H61.5 Cl N5.5 O Yb -","- C388 H492 Cl8 N44 O8 Yb8 -","8","1","","Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11980","11983","10.1039/c2dt31220d","","","0.71073","MoKα","","0.0772","0.0482","","","0.1267","0.1356","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020321","13.0701","0.0003","17.5574","0.0006","20.6952","0.0008","107.545","0.002","100.357","0.002","97.811","0.003","4361.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H120 Cl5 Li N4 O6 Th2 -","- C82 H120 Cl5 Li N4 O6 Th2 -","- C164 H240 Cl10 Li2 N8 O12 Th4 -","2","1","","Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11980","11983","10.1039/c2dt31220d","","","0.71073","MoKα","","0.0524","0.0319","","","0.0621","0.0659","","","","","","1.01","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020322","8.7358","0.0007","8.3794","0.0004","22.573","0.0018","90","","90.125","0.004","90","","1652.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 B F4 N -","- C15 H24 B F4 N -","- C60 H96 B4 F16 N4 -","4","1","","Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11980","11983","10.1039/c2dt31220d","","","0.71073","MoKα","","0.0821","0.0649","","","0.1775","0.1899","","","","","","1.063","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020323","16.62","0.0014","9.613","0.0009","14.69","0.0011","90","","111.888","0.009","90","","2177.8","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl F6 N2 P Ru S3 -","- C16 H20 Cl F6 N2 P Ru S3 -","- C64 H80 Cl4 F24 N8 P4 Ru4 S12 -","4","1","","Rilak, Ana; Bratsos, Ioannis; Zangrando, Ennio; Kljun, Jakob; Turel, Iztok; Bugarčić, Živadin D; Alessio, Enzo","Factors that influence the antiproliferative activity of half sandwich Ru(II)-[9]aneS3 coordination compounds: activation kinetics and interaction with guanine derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11608","11618","10.1039/c2dt31225e","","","0.71073","MoKα","","0.0451","0.0361","","","0.0986","0.1016","","","","","","0.992","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020324","8.5941","0.0002","11.3013","0.0002","14.8054","0.0003","99.263","0.001","91.08","0.001","92.016","0.001","1417.9","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H29 F12 N7 O2 P2 Ru S3 -","- C14 H29 F12 N7 O2 P2 Ru S3 -","- C28 H58 F24 N14 O4 P4 Ru2 S6 -","2","1","","Rilak, Ana; Bratsos, Ioannis; Zangrando, Ennio; Kljun, Jakob; Turel, Iztok; Bugarčić, Živadin D; Alessio, Enzo","Factors that influence the antiproliferative activity of half sandwich Ru(II)-[9]aneS3 coordination compounds: activation kinetics and interaction with guanine derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11608","11618","10.1039/c2dt31225e","","","0.71073","MoKα","","0.0354","0.0271","","","0.0585","0.0612","","","","","","1.131","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020325","10.3","0.001","14.283","0.0011","18.192","0.0014","90","","91.741","0.011","90","","2675.1","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 F6 N6 O4.5 P Ru S3 -","- C18 H25 F6 N6 O4.5 P Ru S3 -","- C72 H100 F24 N24 O18 P4 Ru4 S12 -","4","1","","Rilak, Ana; Bratsos, Ioannis; Zangrando, Ennio; Kljun, Jakob; Turel, Iztok; Bugarčić, Živadin D; Alessio, Enzo","Factors that influence the antiproliferative activity of half sandwich Ru(II)-[9]aneS3 coordination compounds: activation kinetics and interaction with guanine derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11608","11618","10.1039/c2dt31225e","","","1.54183","CuKα","","0.0759","0.0571","","","0.1421","0.1503","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020326","9.5597","0.0018","10.0626","0.0019","16.895","0.003","78.919","0.003","80.042","0.003","64.022","0.003","1426.5","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H62 Dy2 N14 O24 -","- C42 H62 Dy2 N14 O24 -","- C42 H62 Dy2 N14 O24 -","1","0.5","","Lin, Po-Heng; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Connecting single-ion magnets through ligand dimerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13649","13655","10.1039/c2dt31226c","","","0.71073","MoKα","","0.0396","0.0332","","","0.0909","0.094","","","","","","1.164","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020327","7.6044","0.0001","10.2506","0.0002","18.9048","0.0003","104.131","0.001","90.757","0.001","107.651","0.001","1355.67","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Dy N6 O11 -","- C21 H27 Dy N6 O11 -","- C42 H54 Dy2 N12 O22 -","2","1","","Lin, Po-Heng; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Connecting single-ion magnets through ligand dimerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13649","13655","10.1039/c2dt31226c","","","0.71073","MoKα","","0.0315","0.0262","","","0.0628","0.0649","","","","","","1.009","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020328","26.2013","0.0006","14.0499","0.0003","13.9931","0.0003","90","","121.966","0.001","90","","4370.1","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Br4 Cu4 N4 -","- C12 H28 Br4 Cu4 N4 -","- C96 H224 Br32 Cu32 N32 -","8","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0219","0.0198","","","0.0446","0.0453","","","","","","1.185","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020329","7.1527","0.0002","12.5997","0.0004","7.8483","0.0003","90","","90.712","0.002","90","","707.25","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cu I N -","- C4 H9 Cu I N -","- C16 H36 Cu4 I4 N4 -","4","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0292","0.0287","","","0.0739","0.0741","","","","","","1.181","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020330","27.3307","0.0015","14.3197","0.0008","14.3175","0.0008","90","","121.052","0.002","90","","4800.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cu4 I4 N4 -","- C12 H28 Cu4 I4 N4 -","- C96 H224 Cu32 I32 N32 -","8","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.038","0.0371","","","0.0963","0.097","","","","","","1.124","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020331","33.4094","0.0014","37.0836","0.0016","6.5516","0.0003","90","","90","","90","","8117","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H24 Br4 Cu4 N4 -","- C10 H24 Br4 Cu4 N4 -","- C160 H384 Br64 Cu64 N64 -","16","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0249","0.0247","","","0.0572","0.0573","","","","","","1.089","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020332","7.7387","0.0003","16.7925","0.0005","8.2424","0.0003","90","","110.617","0.001","90","","1002.52","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cu I N -","- C9 H11 Cu I N -","- C36 H44 Cu4 I4 N4 -","4","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0261","0.0257","","","0.0644","0.0646","","","","","","1.12","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020333","8.6108","0.0003","24.0135","0.0007","13.5384","0.0004","90","","92.104","0.002","90","","2797.52","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H37 Cu4 I4 N6 -","- C15 H37 Cu4 I4 N6 -","- C60 H148 Cu16 I16 N24 -","4","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0514","0.0436","","","0.1078","0.1119","","","","","","1.112","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020334","8.6487","0.0002","9.9098","0.0002","12.4157","0.0003","112.831","0.001","91.449","0.002","95.447","0.001","974.07","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C32 H40 Cu4 I4 N8 -","2","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0333","0.0306","","","0.0744","0.0762","","","","","","1.066","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020335","9.6835","0.0003","22.3183","0.0006","10.019","0.0003","90","","93.835","0.001","90","","2160.45","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 Cu2 I2 N6 -","- C46 H50 Cu2 I2 N6 -","- C92 H100 Cu4 I4 N12 -","2","0.5","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0217","0.021","","","0.0494","0.0497","","","","","","1.097","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020336","8.9015","0.0001","19.1","0.0003","21.8081","0.0003","114.204","0.001","92.76","0.001","90.614","0.001","3376.03","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H80 Cu4 I4 N8 -","- C68 H80 Cu4 I4 N8 -","- C136 H160 Cu8 I8 N16 -","2","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0479","0.038","","","0.091","0.0963","","","","","","1.011","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020337","8.4848","0.0003","20.3374","0.0007","13.1364","0.0004","90","","92.548","0.002","90","","2264.56","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cu2 I2 N2 -","- C20 H26 Cu2 I2 N2 -","- C80 H104 Cu8 I8 N8 -","4","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0619","0.0419","","","0.1098","0.1221","","","","","","1.022","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020338","26.7048","0.0004","15.5991","0.0002","24.6674","0.0005","90","","96.99","0.002","90","","10199.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((PhtalMePO3)4Al5Cl6(thf)6)Cl(thf)1.5","","","- C66 H84 Al5 Cl7 N4 O27.5 P4 -","- C66 H84 Al5 Cl7.001 N4 O27.5 P4 -","- C264 H336 Al20 Cl28.004 N16 O110 P16 -","4","1","","Richards, Anne F.; Beavers, Christine M.","Synthesis and structures of a pentanuclear Al(III) phosphonate cage, an In(III) phosphonate polymer, and coordination compounds of the corresponding phosphonate ester with GaI3 and InCl3.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11305","11310","10.1039/c2dt31280h","","","1.54184","CuKα","","0.094","0.0721","","","0.2217","0.2396","","","","","","1.09","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020339","4.9622","0.0002","10.0472","0.0004","14.4552","0.0006","75.595","0.004","87.678","0.003","89.821","0.003","697.43","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","(((PhthalOH)In(H2O))ClO4)N","","","- C18 H26 Cl In N2 O20 P2 -","- C18 H26 Cl In N2 O20 P2 -","- C18 H26 Cl In N2 O20 P2 -","1","0.5","","Richards, Anne F.; Beavers, Christine M.","Synthesis and structures of a pentanuclear Al(III) phosphonate cage, an In(III) phosphonate polymer, and coordination compounds of the corresponding phosphonate ester with GaI3 and InCl3.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11305","11310","10.1039/c2dt31280h","","","1.54184","CuKα","","0.0369","0.0338","","","0.0831","0.0849","","","","","","1.056","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020340","7.9265","0.0003","8.0262","0.0003","21.3673","0.0009","99.131","0.004","92.125","0.003","117.475","0.004","1181.3","0.09","173.2","","173.2","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H24 Cl3 In N O6 P -","- C17 H24 Cl3 In N O6 P -","- C34 H48 Cl6 In2 N2 O12 P2 -","2","1","","Richards, Anne F.; Beavers, Christine M.","Synthesis and structures of a pentanuclear Al(III) phosphonate cage, an In(III) phosphonate polymer, and coordination compounds of the corresponding phosphonate ester with GaI3 and InCl3.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11305","11310","10.1039/c2dt31280h","","","0.7107","MoKα","","0.0452","0.0367","","","0.0771","0.0821","","","","","","1.048","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020341","53.505","0.004","17.0141","0.0005","35.9017","0.0019","90","","125.176","0.009","90","","26714","4","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","[Cr7Ni(Etglu)F3Piv15]2(tmbp)","","","- C185 H320 Cl9 Cr14 F6 N5 Ni2 O70 -","- C185 H320 Cl9 Cr14 F6 N5 Ni2 O70 -","- C740 H1280 Cl36 Cr56 F24 N20 Ni8 O280 -","4","1","","Faust, Thomas B.; Tuna, Floriana; Timco, Grigore A.; Affronte, Marco; Bellini, Valerio; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Controlling magnetic communication through aromatic bridges by variation in torsion angle.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13626","13631","10.1039/c2dt31292a","","","0.71073","MoKα","","0.1208","0.0809","","","0.2222","0.2453","","","","","","0.996","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020342","18.75","0.009","29.698","0.013","24.19","0.011","90","","112.297","0.005","90","","12463","10","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Cr7Ni(Etglu)F3Piv15]2(3,8-phen)","","","- C178 H306 Cr14 F6 N4 Ni2 O70 -","- C178 H306 Cr14 F6 N4 Ni2 O70 -","- C356 H612 Cr28 F12 N8 Ni4 O140 -","2","1","","Faust, Thomas B.; Tuna, Floriana; Timco, Grigore A.; Affronte, Marco; Bellini, Valerio; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Controlling magnetic communication through aromatic bridges by variation in torsion angle.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13626","13631","10.1039/c2dt31292a","","","0.6889","Synchrotron","","0.1464","0.1059","","","0.2633","0.3202","","","","","","1.003","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020343","19.751","0.004","27.554","0.006","49.47","0.01","90","","90","","90","","26923","10","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Cr7Ni(Etglu)F3Piv15]2(PyPz)","","","- C179 H315 Cl10 Cr14 F6 N5 Ni2 O70 -","- C179 H315 Cl10 Cr14 F6 N5 Ni2 O70 -","- C716 H1260 Cl40 Cr56 F24 N20 Ni8 O280 -","4","1","","Faust, Thomas B.; Tuna, Floriana; Timco, Grigore A.; Affronte, Marco; Bellini, Valerio; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Controlling magnetic communication through aromatic bridges by variation in torsion angle.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13626","13631","10.1039/c2dt31292a","","","0.71073","MoKα","","0.1493","0.1214","","","0.3155","0.3767","","","","","","1.337","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020344","12.404","0.003","20.093","0.003","20.13","0.002","88.972","0.009","85.81","0.011","83.452","0.011","4970.8","1.5","122","1","122","1","","","","","","","","8","P -1","-P 1","2","","","","- C35.83 H22.65 Cl1.65 Cr Dy F26 N3 O9 -","- C35.825 H22.65 Cl1.65 Cr Dy F26 N3 O9 -","- C143.3 H90.6 Cl6.6 Cr4 Dy4 F104 N12 O36 -","4","2","","Thuesen, Christian Aa; Pedersen, Kasper S.; Schau-Magnussen, Magnus; Evangelisti, Marco; Vibenholt, Johan; Piligkos, Stergios; Weihe, Høgni; Bendix, Jesper","Fluoride-bridged {Ln2Cr2} polynuclear complexes from semi-labile mer-[CrF3(py)3] and [Ln(hfac)3(H2O)2].","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11284","11292","10.1039/c2dt31302b","","","0.71073","MoKα","","0.0876","0.0518","","","0.1065","0.1204","","","","","","1.139","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020345","12.5395","0.0009","13.2423","0.001","15.094","0.002","97.193","0.016","110.446","0.008","116.354","0.007","1983.7","0.5","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H36 Cr2 F42 N6 O12 Tb2 -","- C60 H36 Cr2 F42 N6 O12 Tb2 -","- C60 H36 Cr2 F42 N6 O12 Tb2 -","1","0.5","","Thuesen, Christian Aa; Pedersen, Kasper S.; Schau-Magnussen, Magnus; Evangelisti, Marco; Vibenholt, Johan; Piligkos, Stergios; Weihe, Høgni; Bendix, Jesper","Fluoride-bridged {Ln2Cr2} polynuclear complexes from semi-labile mer-[CrF3(py)3] and [Ln(hfac)3(H2O)2].","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11284","11292","10.1039/c2dt31302b","","","0.71073","MoKα","","0.0447","0.0297","","","0.0655","0.0714","","","","","","1.056","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020346","12.181","0.002","12.53","0.003","12.55","0.002","65.253","0.011","78.007","0.012","77.683","0.013","1684.3","0.6","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H28 Cr2 F40 N4 O14 Y2 -","- C50 H28 Cr2 F40 N4 O14 Y2 -","- C50 H28 Cr2 F40 N4 O14 Y2 -","1","0.5","","Thuesen, Christian Aa; Pedersen, Kasper S.; Schau-Magnussen, Magnus; Evangelisti, Marco; Vibenholt, Johan; Piligkos, Stergios; Weihe, Høgni; Bendix, Jesper","Fluoride-bridged {Ln2Cr2} polynuclear complexes from semi-labile mer-[CrF3(py)3] and [Ln(hfac)3(H2O)2].","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11284","11292","10.1039/c2dt31302b","","","0.71073","MoKα","","0.0619","0.0433","","","0.0873","0.0961","","","","","","1.072","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020347","12.158","0.003","12.5405","0.0014","12.5573","0.001","65.482","0.01","78.496","0.014","77.792","0.012","1689.1","0.5","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H28 Cr2 F40 Gd2 N4 O14 -","- C50 H28 Cr2 F40 Gd2 N4 O14 -","- C50 H28 Cr2 F40 Gd2 N4 O14 -","1","0.5","","Thuesen, Christian Aa; Pedersen, Kasper S.; Schau-Magnussen, Magnus; Evangelisti, Marco; Vibenholt, Johan; Piligkos, Stergios; Weihe, Høgni; Bendix, Jesper","Fluoride-bridged {Ln2Cr2} polynuclear complexes from semi-labile mer-[CrF3(py)3] and [Ln(hfac)3(H2O)2].","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11284","11292","10.1039/c2dt31302b","","","0.71073","MoKα","","0.0654","0.0418","","","0.0921","0.103","","","","","","1.086","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020348","11.115","0.004","12.695","0.003","12.939","0.003","95.3","0.02","99.06","0.03","101.86","0.02","1749.7","0.9","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H28 Cr2 Dy2 F40 N4 O14 -","- C50 H28 Cr2 Dy2 F40 N4 O14 -","- C50 H28 Cr2 Dy2 F40 N4 O14 -","1","0.5","","Thuesen, Christian Aa; Pedersen, Kasper S.; Schau-Magnussen, Magnus; Evangelisti, Marco; Vibenholt, Johan; Piligkos, Stergios; Weihe, Høgni; Bendix, Jesper","Fluoride-bridged {Ln2Cr2} polynuclear complexes from semi-labile mer-[CrF3(py)3] and [Ln(hfac)3(H2O)2].","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11284","11292","10.1039/c2dt31302b","","","0.71073","MoKα","","0.0652","0.0462","","","0.0982","0.1078","","","","","","1.059","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020349","7.3486","0.0003","12.1524","0.0007","12.353","0.0006","66.27","0.005","77.808","0.004","72.732","0.004","959.05","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","N,:'-(butane-1,4-diyl)bis(2-methylisonicotinamide)","N,:'-(butane-1,4-diyl)bis(2-methylisonicotinamide)","","- C36 H52 N8 O8 -","- C36 H52 N8 O8 -","- C36 H52 N8 O8 -","1","0.5","","Brown, Sarah D.; Trotter, Katherine D.; Sutcliffe, Oliver B.; Plumb, Jane A.; Waddell, Bruce; Briggs, Naomi E. B.; Wheate, Nial J.","Combining aspects of the platinum anticancer drugs picoplatin and BBR3464 to synthesize a new family of sterically hindered dinuclear complexes; their synthesis, binding kinetics and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11330","11339","10.1039/c2dt31313h","","","0.71073","MoKα","","0.0521","0.045","","","0.109","0.1153","","","","","","1.029","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020350","10.3755","0.0012","47.445","0.006","12.2103","0.0016","90","","90.737","0.005","90","","6010.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N O P Pd -","- C30 H46 N O P Pd -","- C240 H368 N8 O8 P8 Pd8 -","8","2","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14524","14539","10.1039/c2dt31334k","","","0.71073","MoKα","","0.0528","0.0324","","","0.0803","0.0884","","","","","","1.094","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020351","15.6645","0.0005","12.6885","0.0004","14.529","0.0005","90","","92.674","0.001","90","","2884.63","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N O P Pd -","- C30 H46 N O P Pd -","- C120 H184 N4 O4 P4 Pd4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14524","14539","10.1039/c2dt31334k","","","0.71073","MoKα","","0.0245","0.0205","","","0.0542","0.0562","","","","","","1.029","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020352","12.419","0.003","13.523","0.003","19.347","0.004","78.15","0.03","82.33","0.03","82.15","0.03","3131.5","1.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H59 B F24 N O P Pd -","- C62 H59 B F24 N O P Pd -","- C124 H118 B2 F48 N2 O2 P2 Pd2 -","2","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14524","14539","10.1039/c2dt31334k","","","1.54178","CuKα","","0.0502","0.0487","","","0.1287","0.1301","","","","","","1.07","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020353","12.2661","0.0001","20.4994","0.0002","27.7574","0.0003","103.186","0.001","92.161","0.0009","102.916","0.001","6594.59","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 B F24 N2 Ni O P -","- C64 H62 B F24 N2 Ni O P -","- C256 H248 B4 F96 N8 Ni4 O4 P4 -","4","2","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14524","14539","10.1039/c2dt31334k","","","0.71073","MoKα","","0.0689","0.0606","","","0.1686","0.1744","","","","","","1.094","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020354","41.0211","0.0006","12.5738","0.0002","26.4997","0.0004","90","","97.564","0.001","90","","13549.4","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H62 B F24 N2 O P Pd -","- C64 H62 B F24 N2 O P Pd -","- C512 H496 B8 F192 N16 O8 P8 Pd8 -","8","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14524","14539","10.1039/c2dt31334k","","","0.71073","MoKα","","0.0489","0.0361","","","0.0917","0.097","","","","","","1.037","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020355","12.3365","0.0009","13.3092","0.0011","21.2562","0.0018","106.599","0.004","96.181","0.004","92.774","0.004","3313.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H62 B F24 N2 O2 P Pd -","- C65 H62 B F24 N2 O2 P Pd -","- C130 H124 B2 F48 N4 O4 P2 Pd2 -","2","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14524","14539","10.1039/c2dt31334k","","","0.71073","MoKα","","0.0805","0.0615","","","0.1605","0.1719","","","","","","1.089","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020356","17.3921","0.0005","16.3003","0.0005","24.2674","0.0007","90","","107.041","0.001","90","","6577.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H63 B F24 N O2 P Pd -","- C65 H63 B F24 N O2 P Pd -","- C260 H252 B4 F96 N4 O8 P4 Pd4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14524","14539","10.1039/c2dt31334k","","","0.71073","MoKα","","0.0783","0.0572","","","0.1491","0.187","","","","","","1.054","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020357","8.5909","0.0012","26.375","0.003","7.2737","0.001","90","","90","","90","","1648.1","0.4","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H26 Cl2 N2 O2 Ti -","- C12 H26 Cl2 N2 O2 Ti -","- C48 H104 Cl8 N8 O8 Ti4 -","4","1","","Kim, So Han; Kim, Da Jung; Go, Min Jeong; Ko, Young Soo; Lee, Junseong; Kim, Youngjo","Synthesis, X-ray structures, and controlled ring opening polymerization behavior of L-lactide using titanium complexes chelated by tetradentate diamine-diethanolate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11619","11626","10.1039/c2dt31357j","","","0.71073","MoKα","","0.1333","0.0649","","","0.1188","0.1474","","","","","","1.015","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020358","9.1651","0.0004","9.2522","0.0003","15.1186","0.0006","105.316","0.002","97.911","0.002","109.093","0.002","1132.61","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H40 N2 O4 Ti -","- C18 H40 N2 O4 Ti -","- C36 H80 N4 O8 Ti2 -","2","1","","Kim, So Han; Kim, Da Jung; Go, Min Jeong; Ko, Young Soo; Lee, Junseong; Kim, Youngjo","Synthesis, X-ray structures, and controlled ring opening polymerization behavior of L-lactide using titanium complexes chelated by tetradentate diamine-diethanolate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11619","11626","10.1039/c2dt31357j","","","0.71073","MoKα","","0.0383","0.0305","","","0.0853","0.0897","","","","","","1.026","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020359","8.222","0.0016","10.509","0.002","11.25","0.002","90","","90.63","0.03","90","","972","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N2 O6 -","- C18 H18 Cu N2 O6 -","- C36 H36 Cu2 N4 O12 -","2","0.5","","Eckold, Pierre; Gee, William J.; Hill, Matthew R.; Batten, Stuart R.","Synthesis, characterisation and adsorption properties of a porous copper(ii) 3D coordination polymer exhibiting strong binding enthalpy and adsorption capacity for carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13364","13369","10.1039/c2dt31361h","","","0.71073","synchrotron","","0.0531","0.0516","","","0.1374","0.1389","","","","","","1.08","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020360","8.2896","0.0006","10.1177","0.0008","11.5102","0.0009","90","","90.944","0.002","90","","965.25","0.13","296","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cu N4 O4 -","- C20 H18 Cu N4 O4 -","- C40 H36 Cu2 N8 O8 -","2","0.5","","Eckold, Pierre; Gee, William J.; Hill, Matthew R.; Batten, Stuart R.","Synthesis, characterisation and adsorption properties of a porous copper(ii) 3D coordination polymer exhibiting strong binding enthalpy and adsorption capacity for carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13364","13369","10.1039/c2dt31361h","","","0.710698","synchrotron","","0.04","0.032","","","0.0783","0.0828","","","","","","1.04","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020361","8.201","0.0016","10.492","0.002","11.125","0.002","90","","95.28","0.03","90","","953.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co N2 O6 -","- C18 H20 Co N2 O6 -","- C36 H40 Co2 N4 O12 -","2","0.5","","Eckold, Pierre; Gee, William J.; Hill, Matthew R.; Batten, Stuart R.","Synthesis, characterisation and adsorption properties of a porous copper(ii) 3D coordination polymer exhibiting strong binding enthalpy and adsorption capacity for carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13364","13369","10.1039/c2dt31361h","","","0.710698","synchrotron","","0.0584","0.0567","","","0.1517","0.1534","","","","","","1.067","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020362","6.4778","0.0014","7.3896","0.0011","26.049","0.005","90","","95.345","0.016","90","","1241.5","0.4","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.0537","0.0383","","","0.0875","0.097","","","","","","1.067","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020363","7.2573","0.001","12.1847","0.0016","14.7493","0.0018","106.389","0.01","102.151","0.009","100.772","0.009","1180.3","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H64 Mg2 N4 O35 -","- C24 H64 Mg2 N4 O35 -","- C24 H64 Mg2 N4 O35 -","1","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.05","0.0432","","","0.1234","0.1272","","","","","","1.055","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020364","6.6529","0.0011","25.696","0.006","8.8244","0.0014","90","","105.668","0.012","90","","1452.5","0.5","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H14 Ca N2 O8 -","- C12 H14 Ca N2 O8 -","- C48 H56 Ca4 N8 O32 -","4","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.1677","0.0532","","","0.0961","0.1255","","","","","","0.934","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020365","15.246","0.003","6.8008","0.0009","8.0856","0.0013","90","","92.234","0.014","90","","837.7","0.2","180","2","180","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H20 N2 O11 Sr -","- C12 H20 N2 O11 Sr -","- C24 H40 N4 O22 Sr2 -","2","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.0895","0.0601","","","0.1558","0.1666","","","","","","0.971","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020366","6.9305","0.0012","7.8963","0.0013","30.874","0.006","90","","90.2","0.03","90","","1689.6","0.5","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H18 Mn N2 O12 -","- C12 H18 Mn N2 O12 -","- C48 H72 Mn4 N8 O48 -","4","1","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.1146","0.0829","","","0.2256","0.2445","","","","","","1.155","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020367","15.211","0.003","6.8469","0.0014","8.1434","0.0016","90","","92.16","0.03","90","","847.5","0.3","180","2","180","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H20 Cu N2 O11 -","- C12 H20 Cu N2 O11 -","- C24 H40 Cu2 N4 O22 -","2","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.12","0.0741","","","0.1803","0.2099","","","","","","1.058","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020368","6.8874","0.0007","7.6896","0.0008","29.879","0.005","90","","90","","90","","1582.4","0.4","180","2","180","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H20 N2 O11 Zn -","- C12 H20 N2 O11 Zn -","- C48 H80 N8 O44 Zn4 -","4","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.0247","0.0226","","","0.051","0.0514","","","","","","1.021","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020369","6.9402","0.0007","7.933","0.0007","29.988","0.004","90","","90","","90","","1651","0.3","180","2","180","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H20 Cd N2 O11 -","- C12 H20 Cd N2 O11 -","- C48 H80 Cd4 N8 O44 -","4","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.0376","0.0295","","","0.0575","0.059","","","","","","1.04","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020370","11.0604","0.0003","20.2397","0.0011","10.3186","0.0005","90","","101.884","0.003","90","","2260.4","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N10 O -","- C22 H26 N10 O -","- C88 H104 N40 O4 -","4","1","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.1196","0.061","","","0.1607","0.1966","","","","","","1.014","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020371","9.0437","0.0007","15.1679","0.001","16.2868","0.0013","90","","92.566","0.004","90","","2231.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H24 N10 O -","- C21 H24 N10 O -","- C84 H96 N40 O4 -","4","1","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.26","0.098","","","0.1378","0.1755","","","","","","1.049","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020372","7.8886","0.0003","11.4824","0.0007","25.5965","0.0016","92.693","0.002","92.65","0.003","94.577","0.004","2305.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N10 O -","- C22 H26 N10 O -","- C88 H104 N40 O4 -","4","2","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.3179","0.1393","","","0.2728","0.3405","","","","","","1.008","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020373","18.5204","0.0003","27.2996","0.0005","29.4421","0.0004","90","","90","","90","","14885.9","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C104 H98 B8 F32 Fe4 N52 O3.5 -","- C104 H98 B8 F32 Fe4 N52 O3.5 -","- C416 H392 B32 F128 Fe16 N208 O14 -","4","1","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.1674","0.0923","","","0.2181","0.2546","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020374","17.0408","0.0004","29.0227","0.0006","31.0259","0.0005","95.28","0.001","98.156","0.001","97.466","0.001","14964.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H110 Co4 F24 N46 O30 S8 -","- C100 H98 Co4 F24 N46 O30 S8 -","- C400 H392 Co16 F96 N184 O120 S32 -","4","2","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.2382","0.1172","","","0.2921","0.3503","","","","","","1.054","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020375","24.517","0.005","19.46","0.004","24.071","0.005","90","","91.5","0.03","90","","11480","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C170 H191 Cl16 N85 O72 Zn8 -","- C170 H191 Cl16 N85 O72 Zn8 -","- C340 H382 Cl32 N170 O144 Zn16 -","2","0.25","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.1271","0.0744","","","0.1644","0.1986","","","","","","1.019","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020376","19.069","0.004","19.069","","24.44","0.005","90","","90","","90","","8887","3","293","2","293","2","","","","","","","","7","P 42/n n m :2","-P 4ac 2bc","134","Compound X","","","- C96 H104 Cl Co4 F42 N48 P7 -","- C96 H104 Cl Co4 F42 N48 P7 -","- C192 H208 Cl2 Co8 F84 N96 P14 -","2","0.125","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.1792","0.1242","","","0.2589","0.2835","","","","","","1.003","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020377","18.335","0.004","9.5267","0.0018","34.804","0.007","90","","95.83","0.003","90","","6048","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H65 B N5 O12 Tb Zn2 -","- C66 H65 B N5 O12 Tb Zn2 -","- C264 H260 B4 N20 O48 Tb4 Zn8 -","4","1","","Maeda, Moe; Hino, Shiori; Yamashita, Kei; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Correlation between slow magnetic relaxation and the coordination structures of a family of linear trinuclear Zn(ii)-Ln(iii)-Zn(ii) complexes (Ln = Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13640","13648","10.1039/c2dt31399e","","","0.71075","Molybdenum","","0.0665","0.0533","","","0.1181","0.1266","","","","","","1.089","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020378","18.372","0.002","9.5395","0.0012","34.846","0.005","90","","95.9606","0.0018","90","","6074.1","1.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H65 B Dy N5 O12 Zn2 -","- C66 H65 B Dy N5 O12 Zn2 -","- C264 H260 B4 Dy4 N20 O48 Zn8 -","4","1","","Maeda, Moe; Hino, Shiori; Yamashita, Kei; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Correlation between slow magnetic relaxation and the coordination structures of a family of linear trinuclear Zn(ii)-Ln(iii)-Zn(ii) complexes (Ln = Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13640","13648","10.1039/c2dt31399e","","","0.71075","Molybdenum","","0.0572","0.0472","","","0.1037","0.1096","","","","","","1.098","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020379","18.367","0.002","9.5447","0.0011","34.8","0.004","90","","95.8459","0.0012","90","","6069","1.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H65 B Ho N5 O12 Zn2 -","- C66 H65 B Ho N5 O12 Zn2 -","- C264 H260 B4 Ho4 N20 O48 Zn8 -","4","1","","Maeda, Moe; Hino, Shiori; Yamashita, Kei; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Correlation between slow magnetic relaxation and the coordination structures of a family of linear trinuclear Zn(ii)-Ln(iii)-Zn(ii) complexes (Ln = Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13640","13648","10.1039/c2dt31399e","","","0.71075","Molybdenum","","0.0604","0.0462","","","0.1011","0.1105","","","","","","1.052","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020380","18.369","0.002","9.5339","0.0011","34.787","0.004","90","","95.8602","0.0014","90","","6060.3","1.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H65 B Er N5 O12 Zn2 -","- C66 H65 B Er N5 O12 Zn2 -","- C264 H260 B4 Er4 N20 O48 Zn8 -","4","1","","Maeda, Moe; Hino, Shiori; Yamashita, Kei; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Correlation between slow magnetic relaxation and the coordination structures of a family of linear trinuclear Zn(ii)-Ln(iii)-Zn(ii) complexes (Ln = Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13640","13648","10.1039/c2dt31399e","","","0.71075","Molybdenum","","0.059","0.0474","","","0.1082","0.1158","","","","","","1.112","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020381","18.3746","0.0018","9.5525","0.0009","34.799","0.004","90","","95.795","0.002","90","","6076.8","1.1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H65 B N5 O12 Tm Zn2 -","- C66 H65 B N5 O12 Tm Zn2 -","- C264 H260 B4 N20 O48 Tm4 Zn8 -","4","1","","Maeda, Moe; Hino, Shiori; Yamashita, Kei; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Correlation between slow magnetic relaxation and the coordination structures of a family of linear trinuclear Zn(ii)-Ln(iii)-Zn(ii) complexes (Ln = Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13640","13648","10.1039/c2dt31399e","","","0.71075","Molybdenum","","0.0333","0.0317","","","0.0772","0.0786","","","","","","1.047","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020382","18.36","0.003","9.5339","0.0014","34.75","0.005","90","","95.76","0.0016","90","","6052","1.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H65 B N5 O12 Yb Zn2 -","- C66 H65 B N5 O12 Yb Zn2 -","- C264 H260 B4 N20 O48 Yb4 Zn8 -","4","1","","Maeda, Moe; Hino, Shiori; Yamashita, Kei; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Correlation between slow magnetic relaxation and the coordination structures of a family of linear trinuclear Zn(ii)-Ln(iii)-Zn(ii) complexes (Ln = Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13640","13648","10.1039/c2dt31399e","","","0.71069","Molybdenum","","0.0689","0.0511","","","0.1056","0.1163","","","","","","1.083","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020383","22.2923","0.0005","23.6328","0.0005","27.7035","0.0007","101.944","0.0007","100.692","0.0009","116.839","0.0007","12072.9","0.5","95","2","95","2","","","","","","","","6","P -1","-P 1","2","","","","- C256 H332 Cd N32 O38 Tb2 -","- C256 H332 Cd N32 O38 Tb2 -","- C512 H664 Cd2 N64 O76 Tb4 -","2","1","","Katoh, Keiichi; Horii, Yoji; Yasuda, Nobuhiro; Wernsdorfer, Wolfgang; Toriumi, Koshiro; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-decker phthalocyaninato dinuclear lanthanoid(iii) single-molecule magnets with dual-magnetic relaxation processes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13582","13600","10.1039/c2dt31400b","","","0.83106","Synchrotron","","0.1745","0.1353","","","0.3267","0.3515","","","","","","1.077","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020384","22.691","0.0006","23.4428","0.0006","29.1701","0.0007","68.8292","0.0008","89.1313","0.0008","63.6312","0.0008","12766.6","0.6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C256 H320 Cd Dy2 N32 O41 -","- C256 H320 Cd Dy2 N32 O41 -","- C512 H640 Cd2 Dy4 N64 O82 -","2","1","","Katoh, Keiichi; Horii, Yoji; Yasuda, Nobuhiro; Wernsdorfer, Wolfgang; Toriumi, Koshiro; Breedlove, Brian K.; Yamashita, Masahiro","Multiple-decker phthalocyaninato dinuclear lanthanoid(iii) single-molecule magnets with dual-magnetic relaxation processes.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13582","13600","10.1039/c2dt31400b","","","0.83073","Synchrotron","","0.219","0.1472","","","0.3779","0.4284","","","","","","1.386","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020385","11.1014","0.0004","14.233","0.0002","20.22","0.0005","79.2326","0.0018","82.282","0.002","84.242","0.002","3100.9","0.14","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C59.5 H57 Cl3 F12 N2 P4 Pd S2 -","- C59.5 H57 Cl3 F12 N2 P4 Pd S2 -","- C119 H114 Cl6 F24 N4 P8 Pd2 S4 -","2","1","","Champion, Martin J. D.; Solanki, Riten; Delaude, Lionel; White, Andrew J. P.; Wilton-Ely, James D E T","Synthesis and catalytic application of palladium imidazol(in)ium-2-dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12386","12394","10.1039/c2dt31413d","","","0.71073","MoKα","","0.0489","0.0359","","","0.0814","0.0863","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020386","10.6623","0.0003","20.1267","0.0005","27.4186","0.0006","90","","96.124","0.002","90","","5850.4","0.3","173","","173","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H54 Cl2 F12 Fe N2 P4 Pd S2 -","- C57 H54 Cl2 F12 Fe N2 P4 Pd S2 -","- C228 H216 Cl8 F48 Fe4 N8 P16 Pd4 S8 -","4","1","","Champion, Martin J. D.; Solanki, Riten; Delaude, Lionel; White, Andrew J. P.; Wilton-Ely, James D E T","Synthesis and catalytic application of palladium imidazol(in)ium-2-dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12386","12394","10.1039/c2dt31413d","","","0.71073","MoKα","","0.0608","0.0396","","","0.0832","0.0895","","","","","","1.039","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020387","16.905","0.0016","10.5449","0.001","15.0639","0.0014","90","","91.033","0.001","90","","2684.9","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 B10 Co O4 S2 -","- C19 H31 B10 Co O4 S2 -","- C76 H124 B40 Co4 O16 S8 -","4","1","","Zhang, Rui; Zhu, Lin; Lu, Zhenzhong; Yan, Hong; Bregadze, Vladimir I.","Reactivity of 16-electron half-sandwich cobalt compounds containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards methyl propiolate and dithio ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12054","12063","10.1039/c2dt31425h","","","0.71073","MoKα","","0.0441","0.0382","","","0.1","0.1033","","","","","","0.999","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020388","10.8731","0.0011","11.5767","0.0011","17.9049","0.0017","73.551","0.001","85.058","0.001","62.283","0.001","1910.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H40 B10 Co2 O2 S8 -","- C23 H40 B10 Co2 O2 S8 -","- C46 H80 B20 Co4 O4 S16 -","2","1","","Zhang, Rui; Zhu, Lin; Lu, Zhenzhong; Yan, Hong; Bregadze, Vladimir I.","Reactivity of 16-electron half-sandwich cobalt compounds containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards methyl propiolate and dithio ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12054","12063","10.1039/c2dt31425h","","","0.71073","MoKα","","0.0813","0.0445","","","0.0717","0.0782","","","","","","0.964","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020389","12.7245","0.0012","14.4172","0.0013","14.6045","0.0014","90","","103.424","0.001","90","","2606","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 B10 Co O2 S4 -","- C15 H27 B10 Co O2 S4 -","- C60 H108 B40 Co4 O8 S16 -","4","1","","Zhang, Rui; Zhu, Lin; Lu, Zhenzhong; Yan, Hong; Bregadze, Vladimir I.","Reactivity of 16-electron half-sandwich cobalt compounds containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards methyl propiolate and dithio ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12054","12063","10.1039/c2dt31425h","","","0.71073","MoKα","","0.072","0.0436","","","0.101","0.1136","","","","","","0.912","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020390","6.8123","0.0006","20.9271","0.0017","14.1251","0.0012","90","","100.879","0.001","90","","1977.5","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 B10 Co O2 S2 -","- C12 H21 B10 Co O2 S2 -","- C48 H84 B40 Co4 O8 S8 -","4","1","","Zhang, Rui; Zhu, Lin; Lu, Zhenzhong; Yan, Hong; Bregadze, Vladimir I.","Reactivity of 16-electron half-sandwich cobalt compounds containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards methyl propiolate and dithio ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12054","12063","10.1039/c2dt31425h","","","0.71073","MoKα","","0.0632","0.0411","","","0.0767","0.0808","","","","","","1.025","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020391","18.876","0.003","7.2866","0.0011","20.337","0.003","90","","95.195","0.002","90","","2785.7","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 B10 Co O6 S2 -","- C20 H29 B10 Co O6 S2 -","- C80 H116 B40 Co4 O24 S8 -","4","1","","Zhang, Rui; Zhu, Lin; Lu, Zhenzhong; Yan, Hong; Bregadze, Vladimir I.","Reactivity of 16-electron half-sandwich cobalt compounds containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards methyl propiolate and dithio ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12054","12063","10.1039/c2dt31425h","","","0.71073","MoKα","","0.0738","0.0432","","","0.071","0.0762","","","","","","0.856","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020392","25.667","0.005","13.076","0.003","8.725","0.0017","90","","95.07","0.03","90","","2916.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cu2 N3 O8 -","- C24 H24 Cu2 N3 O8 -","- C96 H96 Cu8 N12 O32 -","4","0.5","","Hwang, In Hong; Bae, Jeong Mi; Kim, Wan-Seok; Jo, Young Dan; Kim, Cheal; Kim, Youngmee; Kim, Sung-Jin; Huh, Seong","Bifunctional 3D Cu-MOFs containing glutarates and bipyridyl ligands: selective CO(2) sorption and heterogeneous catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12759","12765","10.1039/c2dt31427d","","","0.71073","MoKα","","0.0558","0.0408","","","0.1209","0.127","","","","","","1.045","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020393","13.042","0.003","28.201","0.006","8.677","0.0017","90","","90","","90","","3191.4","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H32 Cu2 N2 O9 -","- C26 H32 Cu2 N2 O9 -","- C104 H128 Cu8 N8 O36 -","4","0.5","","Hwang, In Hong; Bae, Jeong Mi; Kim, Wan-Seok; Jo, Young Dan; Kim, Cheal; Kim, Youngmee; Kim, Sung-Jin; Huh, Seong","Bifunctional 3D Cu-MOFs containing glutarates and bipyridyl ligands: selective CO(2) sorption and heterogeneous catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12759","12765","10.1039/c2dt31427d","","","0.71073","MoKα","","0.0763","0.0476","","","0.1236","0.1388","","","","","","1.021","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020394","19.8921","0.0005","6.8805","0.0002","27.6507","0.0007","90","","108.493","0.002","90","","3589.06","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O4.5 V -","- C20 H14 N2 O4.5 V -","- C160 H112 N16 O36 V8 -","8","2","","Ogunlaja, Adeniyi S.; Chidawanyika, Wadzanai; Antunes, Edith; Fernandes, Manuel A.; Nyokong, Tebello; Torto, Nelson; Tshentu, Zenixole R.","Oxovanadium(iv)-catalysed oxidation of dibenzothiophene and 4,6-dimethyldibenzothiophene.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13908","13918","10.1039/c2dt31433a","","","0.71073","MoKα","","0.088","0.0448","","","0.0968","0.111","","","","","","0.896","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020395","14.726","0.002","19.838","0.003","20.737","0.003","84.05","0.002","84.179","0.002","71.035","0.002","5683.5","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Sad223","","","- C114 H144 Br4 Fe2 O8 P8 -","- C114 H144 Br4 Fe2 O8 P8 -","- C228 H288 Br8 Fe4 O16 P16 -","2","1","","Jana, Barun; Hovey, Megan; Ellern, Arkady; Pestovsky, Oleg; Sadow, Aaron D.; Bakac, Andreja","Unusual structural motif in a zwitterionic Fe(ii) complex of a tetradentate phosphine.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12781","12785","10.1039/c2dt31437a","","","0.71073","MoKα","","0.112","0.0556","","","0.1329","0.1598","","","","","","0.984","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020396","9.2981","0.0001","19.2885","0.0002","35.5339","0.0004","90","","90","","90","","6372.88","0.12","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H48 Ce I O -","- C36 H48 Ce I O -","- C288 H384 Ce8 I8 O8 -","8","1","","Ransom, Paul; Arnold, Thomas A. Q.; Thompson, Amber L.; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis and characterisation of the ethylene bridged permethylindenyl cerium complex [(EBI*)CeI(THF)].","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11267","11269","10.1039/c2dt31439h","","","0.71073","MoKα","","0.0894","0.0449","","0.1222","0.0936","0.1222","","","","","","0.9596","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020397","13.259","0.0016","13.314","0.004","24.578","0.011","105.19","0.03","94.24","0.03","103.155","0.018","4036","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H90 Mn6 N12 O26 -","- C70 H90 Mn6 N12 O26 -","- C140 H180 Mn12 N24 O52 -","2","1","","Martínez-Lillo, José; Tomsa, Adrian-Raul; Li, Yanling; Chamoreau, Lise-Marie; Cremades, Eduard; Ruiz, Eliseo; Barra, Anne-Laure; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre","Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13668","13681","10.1039/c2dt31443f","","","0.71073","MoKα","","0.2046","0.1326","","","0.3297","0.358","","","","","","1.105","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020398","11.384","0.005","14.457","0.004","15.499","0.004","75.42","0.03","76.68","0.03","66.86","0.02","2245.1","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H106 Mn6 N12 O28 -","- C76 H106 Mn6 N12 O28 -","- C76 H106 Mn6 N12 O28 -","1","0.5","","Martínez-Lillo, José; Tomsa, Adrian-Raul; Li, Yanling; Chamoreau, Lise-Marie; Cremades, Eduard; Ruiz, Eliseo; Barra, Anne-Laure; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre","Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13668","13681","10.1039/c2dt31443f","","","0.71073","MoKα","","0.1217","0.0506","","","0.1062","0.1334","","","","","","1.019","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020399","12.6828","0.0016","14.0471","0.0016","15.9646","0.0017","89.104","0.008","71.94","0.009","66.627","0.009","2463.3","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H122 Mn6 N12 O28 -","- C84 H122 Mn6 N12 O28 -","- C84 H122 Mn6 N12 O28 -","1","0.5","","Martínez-Lillo, José; Tomsa, Adrian-Raul; Li, Yanling; Chamoreau, Lise-Marie; Cremades, Eduard; Ruiz, Eliseo; Barra, Anne-Laure; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre","Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13668","13681","10.1039/c2dt31443f","","","0.71073","MoKα","","0.2001","0.0678","","","0.1563","0.2118","","","","","","1.041","","","","has coordinates,has disorder","179907","2020-10-21","18:00:00",""
"7020400","21.177","0.002","15.5532","0.0013","27.8361","0.0019","90","","99.768","0.008","90","","9035.5","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H120 Mn6 N12 O29 -","- C74 H114 Mn6 N12 O29 -","- C296 H456 Mn24 N48 O116 -","4","0.5","","Martínez-Lillo, José; Tomsa, Adrian-Raul; Li, Yanling; Chamoreau, Lise-Marie; Cremades, Eduard; Ruiz, Eliseo; Barra, Anne-Laure; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre","Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13668","13681","10.1039/c2dt31443f","","","0.71073","MoKα","","0.0867","0.0467","","","0.1048","0.1183","","","","","","1.026","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020401","12.4165","0.0014","13.6528","0.0014","13.7425","0.001","81.732","0.007","81.276","0.008","63.784","0.007","2058","0.4","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H88 Mn6 N14 O26 -","- C68 H88 Mn6 N14 O26 -","- C68 H88 Mn6 N14 O26 -","1","0.5","","Martínez-Lillo, José; Tomsa, Adrian-Raul; Li, Yanling; Chamoreau, Lise-Marie; Cremades, Eduard; Ruiz, Eliseo; Barra, Anne-Laure; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre","Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13668","13681","10.1039/c2dt31443f","","","0.71073","MoKα","","0.0933","0.0497","","","0.1152","0.1276","","","","","","1.089","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020402","13.1601","0.0011","15.108","0.002","23.331","0.003","90","","102.26","0.01","90","","4532.9","0.9","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H104 Cl2 Mn6 N12 O31 -","- C59 H101 Cl2 Mn6 N12 O31 -","- C118 H202 Cl4 Mn12 N24 O62 -","2","0.5","","Martínez-Lillo, José; Tomsa, Adrian-Raul; Li, Yanling; Chamoreau, Lise-Marie; Cremades, Eduard; Ruiz, Eliseo; Barra, Anne-Laure; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre","Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13668","13681","10.1039/c2dt31443f","","","0.71073","MoKα","","0.0964","0.0569","","","0.1571","0.1791","","","","","","1.091","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020403","30.713","0.009","30.713","0.009","17.092","0.004","90","","90","","90","","16123","8","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H94 Cl2 Mn6 N12 O25 -","- C60 H76 Cl2 Mn6 N12 O25 -","- C480 H608 Cl16 Mn48 N96 O200 -","8","0.5","","Martínez-Lillo, José; Tomsa, Adrian-Raul; Li, Yanling; Chamoreau, Lise-Marie; Cremades, Eduard; Ruiz, Eliseo; Barra, Anne-Laure; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre","Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13668","13681","10.1039/c2dt31443f","","","0.71073","MoKα","","0.1412","0.0536","","","0.121","0.1526","","","","","","1.004","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020404","14.917","0.005","15.623","0.006","24.728","0.01","86.701","0.017","75.468","0.015","61.703","0.009","4899","3","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C115.5 H116 B2 Fe Mn2 N10 O9.5 -","- C115.5 H110.5 B2 Fe Mn2 N10 O9.5 -","- C231 H221 B4 Fe2 Mn4 N20 O19 -","2","1","","Miyasaka, Hitoshi; Saitoh, Ayumi; Nakano, Motohiro","Observation of two types of magnetization relaxation in a weakly correlated antiferromagnetic chain of Mn(III)(2) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13691","13696","10.1039/c2dt31444d","","","0.7107","MoKα","","","0.0906","","","","0.2497","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020405","9.9404","0.0007","10.3755","0.0007","15.5708","0.0012","92.746","0.004","99.154","0.004","107.776","0.003","1501.8","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N4 O9 Zn2 -","- C33 H24 N4 O9 Zn2 -","- C66 H48 N8 O18 Zn4 -","2","1","","Sun, Gong-ming; Luo, Feng; Song, Yu-mei; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan","A self-catenated network containing unprecedented 0D + 2D →2D polycatenation array.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11559","11561","10.1039/c2dt31457f","","","0.71073","MoKα","","0.0484","0.041","","","0.1073","0.1182","","","","","","1.136","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020406","11.7795","0.0016","12.8988","0.0017","14.1309","0.0019","83.55","0.002","80.869","0.002","71.08","0.002","2001.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H40 B8 Cl3 P2 Rh S -","- C37 H40 B8 Cl3 P2 Rh S -","- C74 H80 B16 Cl6 P4 Rh2 S2 -","2","1","","Luaces, Susana; Bould, Jonathan; Macías, Ramón; Sancho, Rodrigo; Lahoz, Fernando J.; Oro, Luis A.","Facile two-electron reduction of a closo-rhodathiadecaborane.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11627","11634","10.1039/c2dt31465g","","","0.71073","MoKα","","0.0401","0.0315","","","0.0758","0.0796","","","","","","1.038","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020407","9.983","0.005","12.408","0.006","23.205","0.012","94.444","0.008","91.104","0.008","112.025","0.008","2653","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H56 B8 Cl2 P3 Rh S -","- C55 H56 B8 Cl2 P3 Rh S -","- C110 H112 B16 Cl4 P6 Rh2 S2 -","2","1","","Luaces, Susana; Bould, Jonathan; Macías, Ramón; Sancho, Rodrigo; Lahoz, Fernando J.; Oro, Luis A.","Facile two-electron reduction of a closo-rhodathiadecaborane.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11627","11634","10.1039/c2dt31465g","","","0.71073","MoKα","","0.0945","0.0666","","","0.1851","0.207","","","","","","1.044","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020408","10.827","0.004","11.101","0.004","18.429","0.007","74.635","0.005","88.279","0.005","66.756","0.005","1955.5","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H41.5 B8 Cl P2 Rh S -","- C36 H38 B8 Cl P2 Rh S -","- C72 H76 B16 Cl2 P4 Rh2 S2 -","2","1","","Luaces, Susana; Bould, Jonathan; Macías, Ramón; Sancho, Rodrigo; Lahoz, Fernando J.; Oro, Luis A.","Facile two-electron reduction of a closo-rhodathiadecaborane.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11627","11634","10.1039/c2dt31465g","","","0.71073","MoKα","","0.132","0.0672","","","0.141","0.1633","","","","","","0.89","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020409","11.9727","0.0005","13.6776","0.0006","13.8349","0.0005","86.162","0.002","75.759","0.002","74.124","0.002","2112.19","0.15","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H47 F6 N2 P3 -","- C47 H47 F6 N2 P3 -","- C94 H94 F12 N4 P6 -","2","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12395","12407","10.1039/c2dt31475d","","","0.71073","MoKα","","0.1009","0.0631","","","0.1297","0.15","","","","","","1.047","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020410","26.772","0.0009","14.659","0.0006","28.2434","0.0013","90","","117.031","0.002","90","","9873.3","0.7","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H48 Cl5 F6 N2 P3 Pd -","- C48 H48 Cl5 F6 N2 P3 Pd -","- C384 H384 Cl40 F48 N16 P24 Pd8 -","8","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12395","12407","10.1039/c2dt31475d","","","0.71073","MoKα","","0.153","0.0853","","","0.1835","0.2224","","","","","","1.016","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020411","11.9538","0.0005","14.4075","0.0004","29.2856","0.0014","90","","93.809","0.002","90","","5032.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H53 Cl2 F6 N4 P3 Pt -","- C51 H53 Cl2 F6 N4 P3 Pt -","- C204 H212 Cl8 F24 N16 P12 Pt4 -","4","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12395","12407","10.1039/c2dt31475d","","","0.71073","MoKα","","0.1889","0.0976","","","0.1597","0.1947","","","","","","1.026","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020412","27.8377","0.0009","19.8686","0.0012","21.6459","0.0013","90","","90","","90","","11972.3","1.1","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C94 H94 F10.4 I4.27 N4 P5.73 Pd2 -","- C94 H94 F10.392 I4.268 N4 P5.732 Pd2 -","- C376 H376 F41.568 I17.072 N16 P22.928 Pd8 -","4","1","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12395","12407","10.1039/c2dt31475d","","","0.71073","MoKα","","0.1281","0.1023","","","0.2721","0.2961","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020413","11.6317","0.0003","10.492","0.0003","17.6728","0.0005","90","","93.7083","0.0004","90","","2152.27","0.1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 Sn -","- C28 H24 N2 Sn -","- C112 H96 N8 Sn4 -","4","1","","Piel, Isabel; Dickschat, Julia V.; Pape, Tania; Hahn, F. Ekkehardt; Glorius, Frank","A planar chiral [2.2]paracyclophane derived N-heterocyclic stannylene.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13788","13790","10.1039/c2dt31497e","","","0.71073","MoKα","","0.0305","0.0238","","","0.0611","0.0643","","","","","","1.032","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020414","15.2331","0.0011","11.0731","0.001","21.585","0.002","90","","90","","90","","3640.9","0.5","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 B Fe2 O2 P -","- C18 H24 B Fe2 O2 P -","- C144 H192 B8 Fe16 O16 P8 -","8","1","","Alvarez, M. Angeles; García, M Esther; González, Rocío; Ruiz, Miguel A.","Reactions of the phosphinidene-bridged complexes [Fe(2)(η(5)-C(5)H(5))(2)(μ-PR)(μ-CO)(CO)(2)] (R = Cy, Ph) with electrophiles based on p-block elements.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14498","14513","10.1039/c2dt31506h","","x-ray","0.71073","MoKα","","0.0632","0.0385","","","0.0967","0.1212","","","","","","1.176","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020415","9.8882","0.0002","11.9548","0.0003","12.1755","0.0003","90","","100.989","0.001","90","","1412.89","0.06","100","2","100","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C26 H29 F6 Fe2 N O3 P2 -","- C26 H29 F6 Fe2 N O3 P2 -","- C52 H58 F12 Fe4 N2 O6 P4 -","2","1","","Alvarez, M. Angeles; García, M Esther; González, Rocío; Ruiz, Miguel A.","Reactions of the phosphinidene-bridged complexes [Fe(2)(η(5)-C(5)H(5))(2)(μ-PR)(μ-CO)(CO)(2)] (R = Cy, Ph) with electrophiles based on p-block elements.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14498","14513","10.1039/c2dt31506h","","x-ray","0.71073","MoKα","","0.0369","0.0291","","","0.0805","0.1129","","","","","","1.242","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020416","25.7535","0.0005","15.5862","0.0004","19.4501","0.0003","90","","111.956","0.001","90","","7241","0.3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H92 Fe6 N2 O6 P2 -","- C83 H92 Fe6 N2 O6 P2 -","- C332 H368 Fe24 N8 O24 P8 -","4","0.5","","Alvarez, M. Angeles; García, M Esther; González, Rocío; Ruiz, Miguel A.","Reactions of the phosphinidene-bridged complexes [Fe(2)(η(5)-C(5)H(5))(2)(μ-PR)(μ-CO)(CO)(2)] (R = Cy, Ph) with electrophiles based on p-block elements.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14498","14513","10.1039/c2dt31506h","","x-ray","0.71073","MoKα","","0.0569","0.0447","","","0.135","0.1563","","","","","","1.108","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020417","16.8821","0.0006","21.1874","0.001","21.4856","0.001","84.638","0.001","84.606","0.001","85.998","0.001","7603.2","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C20.6 H147 B2 Mo6 N10.3 O121.45 S6 W24 -","- C20.6 H82.4 B2 Mo6 N10.3 O121.45 S6 W24 -","- C41.2 H164.8 B4 Mo12 N20.6 O242.9 S12 W48 -","2","1","","Korenev, V. S.; Abramov, P. A.; Vicent, C.; Mainichev, D. A.; Floquet, S.; Cadot, E.; Sokolov, M. N.; Fedin, V. P.","Trapping {BW(12)}(2) tungstoborate: synthesis and crystal structure of hybrid [{(H(2)BW(12)O(42))(2)O}{Mo(6)O(6)S(6)(OH)(4)(H(2)O)(2)}](14-) anion.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14484","14486","10.1039/c2dt31512b","","x-ray","0.71073","MoKα","","0.0738","0.05","","","0.1089","0.1218","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020418","11.988","0.002","12.804","0.0014","13.095","0.002","86.305","0.012","69.598","0.016","77.406","0.012","1838.4","0.5","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C17.5 H14.5 Cl1.5 F3 N O2 Pt -","- C17.5 H14.5 Cl1.5 F3 N O2 Pt -","- C70 H58 Cl6 F12 N4 O8 Pt4 -","4","2","","Spencer, Matthew; Santoro, Amedeo; Freeman, Gemma R.; Díez, Alvaro; Murray, Paul R.; Torroba, Javier; Whitwood, Adrian C.; Yellowlees, Lesley J.; Williams, J. A. Gareth; Bruce, Duncan W.","Phosphorescent, liquid-crystalline complexes of platinum(ii): influence of the β-diketonate co-ligand on mesomorphism and emission properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14244","14256","10.1039/c2dt31525d","","","0.7107","MoKα","","0.0622","0.0459","","","0.1031","0.1141","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020419","13.1603","0.0011","12.8623","0.0011","38.458","0.003","90","","93.993","0.002","90","","6494","0.9","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 N O4 Pt -","- C36 H47 N O4 Pt -","- C288 H376 N8 O32 Pt8 -","8","2","","Spencer, Matthew; Santoro, Amedeo; Freeman, Gemma R.; Díez, Alvaro; Murray, Paul R.; Torroba, Javier; Whitwood, Adrian C.; Yellowlees, Lesley J.; Williams, J. A. Gareth; Bruce, Duncan W.","Phosphorescent, liquid-crystalline complexes of platinum(ii): influence of the β-diketonate co-ligand on mesomorphism and emission properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14244","14256","10.1039/c2dt31525d","","","0.71073","MoKα","","0.0524","0.0418","","","0.0907","0.0947","","","","","","1.115","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020420","13.803","0.0004","10.6301","0.0004","20.1254","0.0007","90","","102.781","0.003","90","","2879.78","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl2 O2 Sn -","- C28 H40 Cl2 O2 Sn -","- C112 H160 Cl8 O8 Sn4 -","4","1","","Shpakovsky, D. B.; Banti, C. N.; Beaulieu-Houle, G; Kourkoumelis, N.; Manoli, M.; Manos, M. J.; Tasiopoulos, A. J.; Hadjikakou, S. K.; Milaeva, E. R.; Charalabopoulos, K.; Bakas, T.; Butler, I. S.; Hadjiliadis, N.","Synthesis, structural characterization and in vitro inhibitory studies against human breast cancer of the bis-(2,6-di-tert-butylphenol)tin(iv) dichloride and its complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14568","14582","10.1039/c2dt31527k","","","1.54184","CuKα","","0.095","0.0835","","","0.153","0.1589","","","","","","1.089","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020421","9.2953","0.0004","24.9586","0.0008","30.4963","0.0012","90","","90","","90","","7075.1","0.5","100","1","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H48 N4 O2 S2 Sn -","- C36 H48 N4 O2 S2 Sn -","- C288 H384 N32 O16 S16 Sn8 -","8","1","","Shpakovsky, D. B.; Banti, C. N.; Beaulieu-Houle, G; Kourkoumelis, N.; Manoli, M.; Manos, M. J.; Tasiopoulos, A. J.; Hadjikakou, S. K.; Milaeva, E. R.; Charalabopoulos, K.; Bakas, T.; Butler, I. S.; Hadjiliadis, N.","Synthesis, structural characterization and in vitro inhibitory studies against human breast cancer of the bis-(2,6-di-tert-butylphenol)tin(iv) dichloride and its complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14568","14582","10.1039/c2dt31527k","","","1.54184","CuKα","","0.0397","0.0329","","","0.1037","0.1365","","","","","","1.136","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020422","10.8406","0.0002","19.1873","0.0004","18.7686","0.0004","90","","95.944","0.002","90","","3882.91","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N4 O2 S2 Sn -","- C38 H52 N4 O2 S2 Sn -","- C152 H208 N16 O8 S8 Sn4 -","4","1","","Shpakovsky, D. B.; Banti, C. N.; Beaulieu-Houle, G; Kourkoumelis, N.; Manoli, M.; Manos, M. J.; Tasiopoulos, A. J.; Hadjikakou, S. K.; Milaeva, E. R.; Charalabopoulos, K.; Bakas, T.; Butler, I. S.; Hadjiliadis, N.","Synthesis, structural characterization and in vitro inhibitory studies against human breast cancer of the bis-(2,6-di-tert-butylphenol)tin(iv) dichloride and its complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14568","14582","10.1039/c2dt31527k","","","0.71073","MoKα","","0.0481","0.0357","","","0.0829","0.0884","","","","","","1.033","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020423","36.0304","0.0013","11.0367","0.0003","33.5317","0.0012","90","","93.048","0.003","90","","13315.2","0.8","100.2","0.2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 Cl N O2 S Sn -","- C33 H42.5 Cl N O2 S Sn -","- C528 H680 Cl16 N16 O32 S16 Sn16 -","16","2","","Shpakovsky, D. B.; Banti, C. N.; Beaulieu-Houle, G; Kourkoumelis, N.; Manoli, M.; Manos, M. J.; Tasiopoulos, A. J.; Hadjikakou, S. K.; Milaeva, E. R.; Charalabopoulos, K.; Bakas, T.; Butler, I. S.; Hadjiliadis, N.","Synthesis, structural characterization and in vitro inhibitory studies against human breast cancer of the bis-(2,6-di-tert-butylphenol)tin(iv) dichloride and its complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14568","14582","10.1039/c2dt31527k","","","1.54184","CuKα","","0.0537","0.0505","","","0.1406","0.1449","","","","","","1.082","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020424","13.0191","0.0004","10.1141","0.0003","27.4822","0.0009","90","","102.059","0.003","90","","3538.9","0.19","100.7","0.3","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 Cl N O2 S2 Sn -","- C35 H44 Cl N O2 S2 Sn -","- C140 H176 Cl4 N4 O8 S8 Sn4 -","4","1","","Shpakovsky, D. B.; Banti, C. N.; Beaulieu-Houle, G; Kourkoumelis, N.; Manoli, M.; Manos, M. J.; Tasiopoulos, A. J.; Hadjikakou, S. K.; Milaeva, E. R.; Charalabopoulos, K.; Bakas, T.; Butler, I. S.; Hadjiliadis, N.","Synthesis, structural characterization and in vitro inhibitory studies against human breast cancer of the bis-(2,6-di-tert-butylphenol)tin(iv) dichloride and its complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14568","14582","10.1039/c2dt31527k","","","1.54184","CuKα","","0.0442","0.0381","","","0.1011","0.1052","","","","","","1.05","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020425","12.899","0.005","9.8587","0.0017","7.0513","0.001","90","","111.41","0.03","90","","834.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Co N2 O6 V2 -","- C4 H4 Co N2 O6 V2 -","- C16 H16 Co4 N8 O24 V8 -","4","0.5","","Larrea, Edurne S.; Mesa, José L; Pizarro, José L; Fernández de Luis, Roberto; Rodríguez Fernández, Jesús; Rojo, Teófilo; Arriortua, María I","Synthesis and comparative study of Co(pym)(VO(3))(2) and [Co(H(2)O)(2)(VO(3))(2)]·2H(2)O.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14170","14179","10.1039/c2dt31531a","","","0.7107","MoKα","","0.0521","0.0394","","","0.0942","0.0974","","","","","","0.963","","","","has coordinates","208246","2020-10-21","18:00:00",""
"7020426","9.256","0.001","23.119","0.002","11.503","0.001","90","","98.741","0.002","90","","2432.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 Ni S5 Se2 -","- C21 H18 N2 Ni S5 Se2 -","- C84 H72 N8 Ni4 S20 Se8 -","4","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Pizzotti, Maddalena; Robertson, Neil; Tessore, Francesca; Mercuri, M. Laura; Serpe, Angela; Deplano, Paola","Electrochromic second-order NLO chromophores based on M(II) (M = Ni, Pd, Pt) complexes with diselenolato-dithione (donor-acceptor) ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12106","12113","10.1039/c2dt31537h","","","0.71073","MoKα","","0.0895","0.0419","","","0.0728","0.0869","","","","","","1.006","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020427","9.267","0.002","23.189","0.005","11.555","0.003","90","","98.069","0.004","90","","2458.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 Pt S5 Se2 -","- C21 H18 N2 Pt S5 Se2 -","- C84 H72 N8 Pt4 S20 Se8 -","4","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Pizzotti, Maddalena; Robertson, Neil; Tessore, Francesca; Mercuri, M. Laura; Serpe, Angela; Deplano, Paola","Electrochromic second-order NLO chromophores based on M(II) (M = Ni, Pd, Pt) complexes with diselenolato-dithione (donor-acceptor) ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12106","12113","10.1039/c2dt31537h","","","0.71073","MoKα","","0.0691","0.0426","","","0.0909","0.1004","","","","","","1.017","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020428","6.0108","0.0005","7.1843","0.0007","15.6165","0.0018","90","0.004","90.004","0.004","90","0.007","674.37","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C12 H10 Br2 Se2 -","- C12 H10 Br2 Se2 -","- C24 H20 Br4 Se4 -","2","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in (p-XC(6)H(4))SeCl(3) and (p-XC(6)H(4))SeBr(3) (X = F, Cl) compounds. Co-crystallisation of cis- and trans-dimeric forms of (p-ClC(6)H(4))SeCl(2)(μ-Cl)(2)(p-ClC(6)H(4))SeCl(2). A new structural modification for the ""PhSeBr"" reagent, Ph(2)Se(2)Br(2), containing an elongated Se-Se bond.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14583","14593","10.1039/c2dt31539d","","x-ray","0.71073","MoKα","","0.1222","0.0886","","","0.213","0.2544","","","","","","1.068","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020429","7.248","0.0001","25.3497","0.0005","10.7265","0.0003","90","","96.98","0.001","90","","1956.22","0.07","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Br3 Cl Se -","- C6 H4 Br3 Cl Se -","- C48 H32 Br24 Cl8 Se8 -","8","2","","Barnes, Nicholas A.; Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in (p-XC(6)H(4))SeCl(3) and (p-XC(6)H(4))SeBr(3) (X = F, Cl) compounds. Co-crystallisation of cis- and trans-dimeric forms of (p-ClC(6)H(4))SeCl(2)(μ-Cl)(2)(p-ClC(6)H(4))SeCl(2). A new structural modification for the ""PhSeBr"" reagent, Ph(2)Se(2)Br(2), containing an elongated Se-Se bond.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14583","14593","10.1039/c2dt31539d","","x-ray","0.71073","MoKα","","0.0821","0.067","","","0.166","0.1756","","","","","","1.138","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020430","25.4102","0.0007","10.7139","0.0003","20.2732","0.0006","90","","92.78","0.002","90","","5512.7","0.3","100","2","100","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Cl4 Se -","- C6 H4 Cl4 Se -","- C144 H96 Cl96 Se24 -","24","3","","Barnes, Nicholas A.; Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in (p-XC(6)H(4))SeCl(3) and (p-XC(6)H(4))SeBr(3) (X = F, Cl) compounds. Co-crystallisation of cis- and trans-dimeric forms of (p-ClC(6)H(4))SeCl(2)(μ-Cl)(2)(p-ClC(6)H(4))SeCl(2). A new structural modification for the ""PhSeBr"" reagent, Ph(2)Se(2)Br(2), containing an elongated Se-Se bond.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14583","14593","10.1039/c2dt31539d","","x-ray","0.71073","MoKα","","0.0902","0.0567","","","0.1326","0.1554","","","","","","1.037","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020431","17.7188","0.0006","9.1035","0.0003","23.4934","0.0011","90","","97.236","0.001","90","","3759.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Br3 F Se -","- C6 H4 Br3 F Se -","- C96 H64 Br48 F16 Se16 -","16","2","","Barnes, Nicholas A.; Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in (p-XC(6)H(4))SeCl(3) and (p-XC(6)H(4))SeBr(3) (X = F, Cl) compounds. Co-crystallisation of cis- and trans-dimeric forms of (p-ClC(6)H(4))SeCl(2)(μ-Cl)(2)(p-ClC(6)H(4))SeCl(2). A new structural modification for the ""PhSeBr"" reagent, Ph(2)Se(2)Br(2), containing an elongated Se-Se bond.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14583","14593","10.1039/c2dt31539d","","x-ray","0.71073","MoKα","","0.1272","0.0803","","","0.1792","0.2001","","","","","","1.272","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020432","17.459","0.0006","8.7778","0.0003","23.2622","0.0009","90","","100.771","0.001","90","","3502.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Cl3 F Se -","- C6 H4 Cl3 F Se -","- C96 H64 Cl48 F16 Se16 -","16","2","","Barnes, Nicholas A.; Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in (p-XC(6)H(4))SeCl(3) and (p-XC(6)H(4))SeBr(3) (X = F, Cl) compounds. Co-crystallisation of cis- and trans-dimeric forms of (p-ClC(6)H(4))SeCl(2)(μ-Cl)(2)(p-ClC(6)H(4))SeCl(2). A new structural modification for the ""PhSeBr"" reagent, Ph(2)Se(2)Br(2), containing an elongated Se-Se bond.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14583","14593","10.1039/c2dt31539d","","x-ray","0.71073","MoKα","","0.1067","0.0664","","","0.1543","0.1773","","","","","","1.276","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020433","7.9299","0.0004","9.382","0.0005","9.999","0.0005","90","","91.489","0.001","90","","743.66","0.07","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C9 H19 Cl N2 O2 S2 Si -","- C9 H19 Cl N2 O2 S2 Si -","- C18 H38 Cl2 N4 O4 S4 Si2 -","2","1","","Kalashnikova, Natalia A.; Bylikin, Sergey Yu; Korlyukov, Aleksander A.; Shipov, Aleksander G.; Baukov, Yuri I.; Taylor, Peter G.; Bassindale, Alan R.","Cationic complexes of silicon and germanium with (O,S)-chelate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12681","12682","10.1039/c2dt31554h","","","0.71073","MoKα","","0.0297","0.0289","","","0.0643","0.0649","","","","","","1.021","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020434","25.097","0.0013","8.081","0.0004","19.9782","0.0011","90","","128.889","0.001","90","","3153.7","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H20 Br Ge N2 O2.5 S2 -","- C9 H20 Br Ge N2 O2.5 S2 -","- C72 H160 Br8 Ge8 N16 O20 S16 -","8","1","","Kalashnikova, Natalia A.; Bylikin, Sergey Yu; Korlyukov, Aleksander A.; Shipov, Aleksander G.; Baukov, Yuri I.; Taylor, Peter G.; Bassindale, Alan R.","Cationic complexes of silicon and germanium with (O,S)-chelate ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12681","12682","10.1039/c2dt31554h","","","0.71073","MoKα","","0.0402","0.0276","","","0.0602","0.0643","","","","","","1.011","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7020435","9.1936","0.0004","28.5638","0.0008","11.2226","0.0005","90","","108.627","0.002","90","","2792.73","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 F8 Fe N4 O8 S2 -","- C20 H19 F8 Fe N4 O8 S2 -","- C80 H76 F32 Fe4 N16 O32 S8 -","4","1","","Benhamou, Laila; Thibon, Aurore; Brelot, Lydia; Lachkar, Mohammed; Mandon, Dominique","Structural bases of oxygen-sensitivity in Fe(ii) complexes with tripodal ligands. Steric effects, Lewis acidity and the role of ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14369","14380","10.1039/c2dt31558k","","","0.71073","MoKα","","0.1606","0.0552","","","0.1281","0.2003","","","","","","0.96","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020436","8.9377","0.0003","11.2442","0.0005","14.7209","0.0008","84.017","0.002","74.006","0.003","82.363","0.003","1405.97","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H19 F8 Fe N5 O6 S2 -","- C22 H19 F8 Fe N5 O6 S2 -","- C44 H38 F16 Fe2 N10 O12 S4 -","2","1","","Benhamou, Laila; Thibon, Aurore; Brelot, Lydia; Lachkar, Mohammed; Mandon, Dominique","Structural bases of oxygen-sensitivity in Fe(ii) complexes with tripodal ligands. Steric effects, Lewis acidity and the role of ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14369","14380","10.1039/c2dt31558k","","","0.71073","MoKα","","0.1082","0.0501","","","0.1241","0.1683","","","","","","1.005","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020437","17.7378","0.0006","9.7242","0.0004","15.9769","0.0004","90","","113.517","0.002","90","","2526.9","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 F8 Fe N4 O6 S2 -","- C20 H15 F8 Fe N4 O6 S2 -","- C80 H60 F32 Fe4 N16 O24 S8 -","4","1","","Benhamou, Laila; Thibon, Aurore; Brelot, Lydia; Lachkar, Mohammed; Mandon, Dominique","Structural bases of oxygen-sensitivity in Fe(ii) complexes with tripodal ligands. Steric effects, Lewis acidity and the role of ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14369","14380","10.1039/c2dt31558k","","","0.71073","MoKα","","0.0998","0.0488","","","0.1128","0.1406","","","","","","1.041","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020438","17.7194","0.0006","9.6968","0.0004","15.9971","0.0006","90","","113.458","0.002","90","","2521.48","0.17","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F7 Fe N4 O6 S2 -","- C20 H16 F7 Fe N4 O6 S2 -","- C80 H64 F28 Fe4 N16 O24 S8 -","4","1","","Benhamou, Laila; Thibon, Aurore; Brelot, Lydia; Lachkar, Mohammed; Mandon, Dominique","Structural bases of oxygen-sensitivity in Fe(ii) complexes with tripodal ligands. Steric effects, Lewis acidity and the role of ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14369","14380","10.1039/c2dt31558k","","","0.71073","MoKα","","0.0806","0.044","","","0.1005","0.1143","","","","","","1.045","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020439","11.3982","0.001","13.1939","0.001","18.7735","0.0016","90","","99.246","0.003","90","","2786.6","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 F6 N7 O3 P Re -","- C26 H19 F6 N7 O3 P Re -","- C104 H76 F24 N28 O12 P4 Re4 -","4","1","","Anderson, Christopher B.; Elliott, Anastasia B. S.; Lewis, James E. M.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","fac-Re(CO)(3) complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine ""click"" ligands: synthesis, characterisation and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14625","14632","10.1039/c2dt31569f","","","0.71073","MoKα","","0.0423","0.0342","","","0.0741","0.0777","","","","","","0.98","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020440","22.534","0.005","10.528","0.002","22.827","0.005","90","","111.892","0.01","90","","5024.9","1.9","89","2","89","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 F6 N7 O3 P Re -","- C20 H23 N7 O3 Re -","- C160 H184 N56 O24 Re8 -","8","2","","Anderson, Christopher B.; Elliott, Anastasia B. S.; Lewis, James E. M.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","fac-Re(CO)(3) complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine ""click"" ligands: synthesis, characterisation and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14625","14632","10.1039/c2dt31569f","","","0.71073","MoKα","","0.0469","0.0382","","","0.1032","0.1065","","","","","","1.11","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020441","8.0003","0.0004","11.0413","0.0006","19.8358","0.0012","81.868","0.004","80.899","0.003","86.194","0.004","1710.98","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Fe N2 O S -","- C19 H18 Fe N2 O S -","- C76 H72 Fe4 N8 O4 S4 -","4","2","","Lal, Bhajan; Badshah, Amin; Altaf, Ataf Ali; Tahir, Muhammad Nawaz; Ullah, Shafiq; Huq, Fazlul","Synthesis, characterization and antitumor activity of new ferrocene incorporated N,N'-disubstituted thioureas.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14643","14650","10.1039/c2dt31570j","","","0.71073","MoKα","","0.1578","0.0585","","","0.1123","0.1479","","","","","","0.969","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020442","11.0296","0.0004","31.572","0.0013","12.303","0.0005","90","","103.412","0.002","90","","4167.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Fe N2 O S -","- C24 H20 Fe N2 O S -","- C192 H160 Fe8 N16 O8 S8 -","8","2","","Lal, Bhajan; Badshah, Amin; Altaf, Ataf Ali; Tahir, Muhammad Nawaz; Ullah, Shafiq; Huq, Fazlul","Synthesis, characterization and antitumor activity of new ferrocene incorporated N,N'-disubstituted thioureas.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14643","14650","10.1039/c2dt31570j","","","0.71073","MoKα","","0.1672","0.058","","","0.1089","0.143","","","","","","0.966","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020443","15.8997","0.0008","22.6599","0.0012","25.1311","0.001","90","","99.46","0.001","90","","8931.2","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92.5 H94 Br3 Mo3 O P6 S4 -","- C92.5 H93.5 Br3 Mo3 O P6 S4 -","- C370 H374 Br12 Mo12 O4 P24 S16 -","4","1","","Petrov, Pavel A.; Naumov, Dmitry Yu; Llusar, Rosa; Gómez-García, Carlos J; Polo, Víctor; Konchenko, Sergey N.","Synthesis and structure of a paramagnetic Mo(3)S(4) incomplete cuboidal cluster with seven cluster skeletal electrons.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14031","14034","10.1039/c2dt31577g","","x-ray","0.71073","MoKα","","0.0699","0.0399","","","0.0648","0.0749","","","","","","1.179","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020444","15.8775","0.0006","22.7907","0.0008","25.1597","0.0008","90","","99.58","0.001","90","","8977.3","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C92.5 H94 Br2.6 Cl0.4 Mo3 O P6 S4 -","- C92.5 H93.5 Br2.596 Cl0.404 Mo3 O P6 S4 -","- C370 H374 Br10.384 Cl1.616 Mo12 O4 P24 S16 -","4","1","","Petrov, Pavel A.; Naumov, Dmitry Yu; Llusar, Rosa; Gómez-García, Carlos J; Polo, Víctor; Konchenko, Sergey N.","Synthesis and structure of a paramagnetic Mo(3)S(4) incomplete cuboidal cluster with seven cluster skeletal electrons.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14031","14034","10.1039/c2dt31577g","","x-ray","0.71073","MoKα","","0.069","0.0461","","","0.1278","0.138","","","","","","1.086","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020445","13.2094","0.0003","24.2295","0.0005","20.6981","0.0005","90","","96.495","0.001","90","","6582.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H74 Mn2 N6 O9 Si2 -","- C70 H74 Mn2 N6 O9 Si2 -","- C280 H296 Mn8 N24 O36 Si8 -","4","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Holstein, Julian J.; Dittrich, Birger","The group 7 metal carbonyl complexes from a stable heteroleptic silylene PhC(NtBu)2SiNPh2.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12096","12100","10.1039/c2dt31578e","","","1.54178","CuKα","","0.0539","0.0479","","","0.1154","0.1188","","","","","","1.054","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020446","13.3137","0.0003","24.3365","0.0005","20.8196","0.0004","90","","95.935","0.001","90","","6709.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H74 N6 O9 Re2 Si2 -","- C70 H74 N6 O9 Re2 Si2 -","- C280 H296 N24 O36 Re8 Si8 -","4","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Holstein, Julian J.; Dittrich, Birger","The group 7 metal carbonyl complexes from a stable heteroleptic silylene PhC(NtBu)2SiNPh2.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12096","12100","10.1039/c2dt31578e","","","1.54178","CuKα","","0.0463","0.046","","","0.1413","0.1415","","","","","","1.241","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020447","18.164","0.004","12.904","0.003","8.2595","0.0016","90","","93.249","0.007","90","","1932.8","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl N4 Pt -","- C21 H23 Cl N4 Pt -","- C84 H92 Cl4 N16 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Self-assembly of isomeric clamshell dimers of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12378","12385","10.1039/c2dt31584j","","","0.71073","MoKα","","0.0727","0.0352","","","0.0425","0.0501","","","","","","1.049","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020448","12.423","0.0015","18.826","0.002","8.6433","0.001","90","","105.068","0.004","90","","1952","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 Pt -","- C22 H26 N4 Pt -","- C88 H104 N16 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Self-assembly of isomeric clamshell dimers of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12378","12385","10.1039/c2dt31584j","","","0.71073","MoKα","","0.0809","0.0389","","","0.0512","0.0585","","","","","","1.034","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020449","10.6068","0.0011","8.7983","0.0009","26.434","0.003","90","","90.805","0.002","90","","2466.6","0.5","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C47 H52 F6 N8 O7 Pt2 S2 -","- C47 H52 F6 N8 O7 Pt2 S2 -","- C94 H104 F12 N16 O14 Pt4 S4 -","2","0.5","","McCready, Matthew S.; Puddephatt, Richard J.","Self-assembly of isomeric clamshell dimers of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12378","12385","10.1039/c2dt31584j","","","0.71073","MoKα","","0.0956","0.0652","","","0.1169","0.1257","","","","","","1.251","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020450","12.493","0.003","14.767","0.003","15.879","0.003","77.96","0.03","76.62","0.03","76.14","0.03","2730.3","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H58 F6 N8 O9 Pt2 S2 -","- C50 H58 F6 N8 O9 Pt2 S2 -","- C100 H116 F12 N16 O18 Pt4 S4 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Self-assembly of isomeric clamshell dimers of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12378","12385","10.1039/c2dt31584j","","","0.71073","MoKα","","0.0834","0.0487","","","0.1352","0.1763","","","","","","1.118","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020451","12.6348","0.0008","22.0849","0.0013","19.8889","0.0012","90","","90","","90","","5549.8","0.6","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C45 H48 Cl2 F6 N8 O6 Pt2 S2 -","- C45 H48 Cl2 F6 N8 O6 Pt2 S2 -","- C180 H192 Cl8 F24 N32 O24 Pt8 S8 -","4","0.5","","McCready, Matthew S.; Puddephatt, Richard J.","Self-assembly of isomeric clamshell dimers of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12378","12385","10.1039/c2dt31584j","","","0.71073","MoKα","","0.1051","0.057","","","0.119","0.1309","","","","","","1.042","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020452","9.8817","0.0002","11.17","0.0002","18.5352","0.0003","83.127","0.001","78.985","0.001","66.785","0.001","1843.37","0.06","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H38 F3 N4 O3 P Pt S -","- C40 H38 F3 N4 O3 P Pt S -","- C80 H76 F6 N8 O6 P2 Pt2 S2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Self-assembly of isomeric clamshell dimers of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12378","12385","10.1039/c2dt31584j","","","0.71073","MoKα","","0.0264","0.0212","","","0.0459","0.0472","","","","","","1.03","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020453","7.0827","0.0014","7.254","0.0015","16.885","0.003","97.29","0.03","98.24","0.03","100.83","0.03","832.6","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C40 H40 N8 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Self-assembly of isomeric clamshell dimers of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12378","12385","10.1039/c2dt31584j","","","0.71073","MoKα","","0.1225","0.0606","","","0.1493","0.1787","","","","","","1.03","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020454","12.448","0.0004","6.697","0.0002","19.315","0.0007","90","","106.27","0.01","90","","1545.7","0.12","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N4 O8 -","- C30 H44 N4 O8 -","- C60 H88 N8 O16 -","2","0.5","","Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry; Orio, Maylis; Wanke, Riccardo; Benisvy, Laurent","A novel di-compartmental bis-(2-hydroxyisophtalamide) macrocyclic ligand and its mononuclear Cu(II) and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12457","12467","10.1039/c2dt31586f","","x-ray","0.71073","MOKα","K-L~3~","0.0905","0.048","","","0.1052","0.1174","","","","","","0.981","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020455","10.1559","0.0003","17.4972","0.0006","16.9057","0.0005","90","","100.921","0.01","90","","2949.73","0.19","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H106 N6 O6 -","- C60 H106 N6 O6 -","- C120 H212 N12 O12 -","2","0.5","","Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry; Orio, Maylis; Wanke, Riccardo; Benisvy, Laurent","A novel di-compartmental bis-(2-hydroxyisophtalamide) macrocyclic ligand and its mononuclear Cu(II) and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12457","12467","10.1039/c2dt31586f","","x-ray","0.71073","MoKα","K-L~3~","0.1308","0.0641","","","0.1546","0.1872","","","","","","1.016","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020456","9.6113","0.0009","10.1921","0.0009","16.9872","0.0015","98.776","0.002","100.154","0.002","107.98","0.002","1519.4","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H104 N6 Ni O7 -","- C60 H104 N6 Ni O7 -","- C60 H104 N6 Ni O7 -","1","0.5","","Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry; Orio, Maylis; Wanke, Riccardo; Benisvy, Laurent","A novel di-compartmental bis-(2-hydroxyisophtalamide) macrocyclic ligand and its mononuclear Cu(II) and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12457","12467","10.1039/c2dt31586f","","","0.71073","MoKα","","0.1368","0.0864","","","0.2465","0.28","","","","","","1.085","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020457","9.3235","0.0002","10.3258","0.0002","16.9141","0.0004","98.869","0.01","100.635","0.01","108.337","0.01","1479.3","0.15","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H103 Cu N6 O6.5 -","- C60 H103 Cu N6 O6.5 -","- C60 H103 Cu N6 O6.5 -","1","0.5","","Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry; Orio, Maylis; Wanke, Riccardo; Benisvy, Laurent","A novel di-compartmental bis-(2-hydroxyisophtalamide) macrocyclic ligand and its mononuclear Cu(II) and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12457","12467","10.1039/c2dt31586f","","","1.54188","CuKα","","0.0599","0.0596","","","0.1591","0.1593","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020458","12.5032","0.0005","12.5968","0.0007","19.1276","0.0008","80.989","0.004","72.451","0.004","64.593","0.005","2593.3","0.2","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Cl2 Fe N10 Na O6 -","- C56 H56 Cl2 Fe N10 Na O6 -","- C112 H112 Cl4 Fe2 N20 Na2 O12 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic compound containing iron phthalocyanine (Fe(I)Pc)(-) anions and (C(70)(-))(2) dimers. Optical and magnetic properties of (Fe(I)Pc)(-) in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13841","13847","10.1039/c2dt31587d","","","0.71073","MoKα","","0.068","0.048","","","0.0976","0.1068","","","","","","1.026","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020459","23.4456","0.0005","38.8603","0.0006","25.4496","0.0005","90","","109.079","0.002","90","","21913.5","0.8","130","1","130","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C530 H423.5 Cl17.5 Fe6 N64 Na8 O48 -","- C529.998 H423.458 Cl17.3072 Fe6 N64 Na8 O48 -","- C1060 H846.917 Cl34.6144 Fe12 N128 Na16 O96 -","2","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic compound containing iron phthalocyanine (Fe(I)Pc)(-) anions and (C(70)(-))(2) dimers. Optical and magnetic properties of (Fe(I)Pc)(-) in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13841","13847","10.1039/c2dt31587d","","","0.7107","MoKα","","0.0583","0.0435","","","0.1113","0.1188","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020460","8.01","0.002","6.8872","0.0018","8.569","0.002","90","","108.232","0.005","90","","448.99","0.19","223","2","223","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H11 Fe O5 -","- C8 H11 Fe O5 -","- C16 H22 Fe2 O10 -","2","0.5","","Zheng, Yan-Zhen; Chen, Xiao-Ming","Incorporation of spin-5/2 chain into 2D network with conformational pure e,a-cis-cyclohexane-1,4-dicarboxylato linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","11989","11991","10.1039/c2dt31613g","","","0.71073","MoKα","","0.048","0.038","","","0.0848","0.0895","","","","","","1.038","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020461","9.0376","0.0008","15.6188","0.0011","20.656","0.0018","90","0.005","92.45","0.007","90","0.008","2913.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Fe2 N O5 P S3 -","- C26 H22 Fe2 N O5 P S3 -","- C104 H88 Fe8 N4 O20 P4 S12 -","4","1","","Cui, Hong-Hua; Hu, Ming-Qiang; Wen, Hui-Min; Chai, Guo-Liang; Ma, Cheng-Bing; Chen, Hui; Chen, Chang-Neng","Efficient [FeFe] hydrogenase mimic dyads covalently linking to iridium photosensitizer for photocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13899","13907","10.1039/c2dt31618h","","","0.71073","MoKα","","0.0546","0.0424","","","0.1319","0.1447","","","","","","1.053","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020462","9.2504","0.0007","17.5313","0.0013","16.5973","0.0015","90","","102.637","0.005","90","","2626.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Fe2 N O5 P S2 -","- C26 H21 Fe2 N O5 P S2 -","- C104 H84 Fe8 N4 O20 P4 S8 -","4","1","","Cui, Hong-Hua; Hu, Ming-Qiang; Wen, Hui-Min; Chai, Guo-Liang; Ma, Cheng-Bing; Chen, Hui; Chen, Chang-Neng","Efficient [FeFe] hydrogenase mimic dyads covalently linking to iridium photosensitizer for photocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13899","13907","10.1039/c2dt31618h","","","0.71073","MoKα","","0.0633","0.0418","","","0.108","0.1686","","","","","","1.06","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020463","17.877","0.001","23.0874","0.0012","24.7589","0.0014","90","","90","","90","","10218.8","1","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H63 Mn N2 O12.5 -","- C52 H62 Mn N2 O12.5 -","- C416 H496 Mn8 N16 O100 -","8","1","","Zhu, Ming-Chang; Dai, Lei; Gao, En-Jun; Lin, Lin; Wang, Bo; Liu, Lei","Synthesis, characterization and cytotoxicity of a carboxylic ligand 2,2-bis(3-phenylpropyl) malonic acid and a corresponding Mn(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13352","13358","10.1039/c2dt31635h","","","","","","0.146","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020464","10.6769","0.0012","10.7065","0.0012","16.7104","0.0019","90","","102.049","0.002","90","","1868.1","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Mn N3 O7 -","- C20 H12 Mn N3 O7 -","- C80 H48 Mn4 N12 O28 -","4","1","","Zhu, Ming-Chang; Dai, Lei; Gao, En-Jun; Lin, Lin; Wang, Bo; Liu, Lei","Synthesis, characterization and cytotoxicity of a carboxylic ligand 2,2-bis(3-phenylpropyl) malonic acid and a corresponding Mn(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13352","13358","10.1039/c2dt31635h","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020465","13.3146","0.001","13.3146","0.001","15.876","0.003","90","","90","","90","","2814.5","0.6","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- H40 Na O66 V19 -","- H40 Na O66 V19 -","- H80 Na2 O132 V38 -","2","0.125","","Zhang, Lili; Zhang, Hengchao; Zhang, Weisong; Gong, Jingjing; Hu, Hailiang; Yang, Yanan; Liu, Yang; Kang, Zhenhui","Water-capsule strategy in crystal engineering for water-solubility conversion from insoluble to soluble.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13277","13279","10.1039/c2dt31636f","","","0.71073","MoKα","","0.0606","0.0586","","","0.1575","0.1592","","","","","","1.114","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020466","13.1803","0.0008","15.482","0.001","19.2062","0.0014","112.021","0.002","106.941","0.002","90.752","0.003","3442.3","0.4","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H54 Cl3 N4 O4 P3 Pt2 S2 -","- C64 H54 Cl3 N4 O4 P3 Pt2 S2 -","- C128 H108 Cl6 N8 O8 P6 Pt4 S4 -","2","1","","Ujam, Oguejiofo T.; Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Hor, T. S. Andy","A novel structural rearrangement reaction of dialkylated derivatives of [Pt(2)(μ-S)(2)(PPh(3))(4)] involving Pt-C bond formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12773","12780","10.1039/c2dt31637d","","","0.71073","MoKα","","0.0911","0.0614","","","0.1608","0.1716","","","","","","1.157","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020467","19.577","0.013","14.693","0.01","26.924","0.018","90","","110.392","0.007","90","","7259","8","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C77 H67 Cl4 F6 O P5 Pt2 S2 -","- C77 H67 Cl4 F6 O P5 Pt2 S2 -","- C308 H268 Cl16 F24 O4 P20 Pt8 S8 -","4","1","","Ujam, Oguejiofo T.; Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Hor, T. S. Andy","A novel structural rearrangement reaction of dialkylated derivatives of [Pt(2)(μ-S)(2)(PPh(3))(4)] involving Pt-C bond formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12773","12780","10.1039/c2dt31637d","","","0.71073","MoKα","","0.0314","0.0244","","","0.0539","0.0565","","","","","","1.019","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020468","17.8478","0.0005","18.5906","0.0005","18.8511","0.0005","83.448","0.002","70.165","0.002","71.444","0.002","5577.7","0.3","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C125 H109 B2 Cl2 N3 O P4 Pt2 S2 -","- C125 H107 B2 Cl2 N3 O P4 Pt2 S2 -","- C250 H214 B4 Cl4 N6 O2 P8 Pt4 S4 -","2","1","","Ujam, Oguejiofo T.; Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Hor, T. S. Andy","A novel structural rearrangement reaction of dialkylated derivatives of [Pt(2)(μ-S)(2)(PPh(3))(4)] involving Pt-C bond formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12773","12780","10.1039/c2dt31637d","","","0.71073","MoKα","","0.1059","0.0535","","","0.1008","0.1112","","","","","","1.025","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020469","14.1462","0.0003","14.8139","0.0003","26.7666","0.0004","79.154","0.001","88.571","0.001","76.68","0.001","5359.82","0.18","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C124 H104 B2 Cl2 O P4 Pt2 S2 -","- C123.637 H104 B2 Cl1.274 O P4 Pt2 S2 -","- C247.274 H208 B4 Cl2.548 O2 P8 Pt4 S4 -","2","1","","Ujam, Oguejiofo T.; Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Hor, T. S. Andy","A novel structural rearrangement reaction of dialkylated derivatives of [Pt(2)(μ-S)(2)(PPh(3))(4)] involving Pt-C bond formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12773","12780","10.1039/c2dt31637d","","","0.71073","MoKα","","0.2402","0.1169","","","0.2697","0.3296","","","","","","0.984","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020470","12.782","0.005","13.864","0.005","20.835","0.005","90","","123.34","0.015","90","","3084.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 N4 Ni2 O11 -","- C27 H44 N4 Ni2 O11 -","- C108 H176 N16 Ni8 O44 -","4","1","","Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Oyarzabal, Itziar; Seco, José M; Colacio, Enrique","Rational design of ferromagnetic coupled diphenoxocarboxylate triply bridged dinuclear nickel(ii) complexes: orbital countercomplementarity of the bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14265","14273","10.1039/c2dt31643a","","","0.71069","MoKα","","0.0459","0.0368","","","0.0886","0.0938","","","","","","1.046","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020471","12.265","0.0005","26.76","0.0011","12.319","0.0005","90","","109.602","0.001","90","","3808.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 N4 Ni2 O14 -","- C33 H48 N4 Ni2 O11 -","- C132 H192 N16 Ni8 O44 -","4","1","","Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Oyarzabal, Itziar; Seco, José M; Colacio, Enrique","Rational design of ferromagnetic coupled diphenoxocarboxylate triply bridged dinuclear nickel(ii) complexes: orbital countercomplementarity of the bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14265","14273","10.1039/c2dt31643a","","","0.71069","MoKα","","0.0747","0.0628","","","0.1823","0.1901","","","","","","1.333","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020472","13.564","0.002","16.014","0.003","19.338","0.003","79.755","0.003","71.845","0.002","81.492","0.003","3908.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H52 N4 Ni2 O11 -","- C41 H52 N4 Ni2 O11 -","- C164 H208 N16 Ni8 O44 -","4","2","","Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Oyarzabal, Itziar; Seco, José M; Colacio, Enrique","Rational design of ferromagnetic coupled diphenoxocarboxylate triply bridged dinuclear nickel(ii) complexes: orbital countercomplementarity of the bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14265","14273","10.1039/c2dt31643a","","","0.71073","MoKα","","0.0799","0.0673","","","0.1746","0.1869","","","","","","1.141","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020473","8.2625","0.0006","9.9065","0.0008","20.2078","0.0016","80.774","0.001","88.784","0.001","76.493","0.001","1587.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H46 N6 Ni2 O8 -","- C28 H46 N6 Ni2 O8 -","- C56 H92 N12 Ni4 O16 -","2","1","","Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Oyarzabal, Itziar; Seco, José M; Colacio, Enrique","Rational design of ferromagnetic coupled diphenoxocarboxylate triply bridged dinuclear nickel(ii) complexes: orbital countercomplementarity of the bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14265","14273","10.1039/c2dt31643a","","","0.71073","MoKα","","0.0391","0.0335","","","0.0806","0.0844","","","","","","1.052","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020474","8.075","0.005","8.188","0.005","12.486","0.005","94.988","0.005","107.158","0.005","104.866","0.005","750.5","0.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 Cu2 Mo4 N6 O23 -","- C20 H10 Cu2 Mo4 N6 O23 -","- C20 H10 Cu2 Mo4 N6 O23 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","Spin canting magnetization in a 3D Cu(ii) complex based on molybdate oxide cluster and 5-triazole isophthalic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13267","13270","10.1039/c2dt31649h","","","0.71073","MoKα","","0.0243","0.0233","","","0.0658","0.0664","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020475","17.8523","0.0015","10.4915","0.0009","15.9219","0.0014","90","","114.23","0.0013","90","","2719.4","0.4","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cu2 N5 O S2 -","- C10 H8 Cu2 N5 O S2 -","- C80 H64 Cu16 N40 O8 S16 -","8","1","","Sadhukhan, Dipali; Rizzoli, Corrado; Garribba, Eugenio; Gómez-García, Carlos J; Yahia-Ammar, Akram; Charbonnière, Loïc J; Mitra, Samiran","A novel mixed valent Cu(II)-Cu(I) 2D framework made of a hydrazone and μ-SCN bridged metallacyclic loops cross-linked by μ3-SCN chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11565","11568","10.1039/c2dt31666h","","","0.71073","MoKα","","0.059","0.0376","","","0.0863","0.0979","","","","","","1.025","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020476","29.122","0.0015","29.122","0.0015","8.7975","0.0009","90","","90","","90","","7461.1","0.9","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H17 Co N2 O4 -","- C19 H17 Co N2 O4 -","- C304 H272 Co16 N32 O64 -","16","1","","Li, Zong-Ze; Du, Lin; Zhou, Jie; Zhu, Ming-Rong; Qian, Fen-Hua; Liu, Jing; Chen, Peng; Zhao, Qi-Hua","Rational design of two bpy-bridged 3D and 2D Co(II) open frameworks with similar amino-acid-based Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14397","14403","10.1039/c2dt31670f","","","0.71073","MoKα","","0.1047","0.0718","","","0.2166","0.2434","","","","","","1.052","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020477","12.173","0.002","6.6055","0.0012","19.308","0.003","90","","92.017","0.003","90","","1551.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Co N2 O3 -","- C18 H13 Co N2 O3 -","- C72 H52 Co4 N8 O12 -","4","1","","Li, Zong-Ze; Du, Lin; Zhou, Jie; Zhu, Ming-Rong; Qian, Fen-Hua; Liu, Jing; Chen, Peng; Zhao, Qi-Hua","Rational design of two bpy-bridged 3D and 2D Co(II) open frameworks with similar amino-acid-based Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14397","14403","10.1039/c2dt31670f","","","0.71073","MoKα","","0.1105","0.0521","","","0.0892","0.1128","","","","","","1.001","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020478","26.182","0.002","12.7579","0.0008","14.2467","0.0008","90","","90","","90","","4758.8","0.5","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C32 H34 Cu Fe2 N12 O5 -","- C32 H24 Cu Fe2 N12 O5 -","- C128 H96 Cu4 Fe8 N48 O20 -","4","0.25","","Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(III)(dmbpy)(CN)(4)](-): a new building block for designing single-chain magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13716","13726","10.1039/c2dt31675g","","x-ray","0.71073","MoKα","","0.1827","0.0835","","","0.2288","0.2801","","","","","","1.023","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020479","26.78","0.003","12.585","0.002","14.116","0.002","90","","90","","90","","4757.5","1.1","150","0.1","150","0.1","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C32 H46 Fe2 N12 Ni O11 -","- C32 H24 Fe2 N12 Ni O11 -","- C128 H96 Fe8 N48 Ni4 O44 -","4","0.25","","Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(III)(dmbpy)(CN)(4)](-): a new building block for designing single-chain magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13716","13726","10.1039/c2dt31675g","","","1.5418","CuKα","","0.1432","0.1059","","","0.2786","0.3068","","","","","","1.104","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020480","27.235","0.002","12.4825","0.0008","14.2559","0.0008","90","","90","","90","","4846.4","0.5","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C32 H35 Co Fe2 N12 O5.5 -","- C32 H24 Co Fe2 N12 O5.5 -","- C128 H96 Co4 Fe8 N48 O22 -","4","0.25","","Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(III)(dmbpy)(CN)(4)](-): a new building block for designing single-chain magnets.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13716","13726","10.1039/c2dt31675g","","x-ray","0.71073","MoKα","","0.0958","0.0686","","","0.1921","0.2142","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020481","15.7866","0.0016","12.9801","0.0013","16.7168","0.0017","90","","108.02","0.001","90","","3257.4","0.6","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 I4 O4 Th -","- C23 H40 I4 O4 Th -","- C92 H160 I16 O16 Th4 -","4","1","","Travia, Nicholas E.; Monreal, Marisa J.; Scott, Brian L.; Kiplinger, Jaqueline L.","Thorium-mediated ring-opening of tetrahydrofuran and the development of a new thorium starting material: preparation and chemistry of ThI(4)(DME)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14514","14523","10.1039/c2dt31676e","","","0.71073","MoKα","","0.0399","0.0284","","","0.0618","0.0661","","","","","","1.054","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020482","16.3845","0.001","7.8259","0.0005","18.6448","0.0011","90","","99.921","0.0001","90","","2355","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 I4 O5 Th -","- C12 H28 I4 O5 Th -","- C48 H112 I16 O20 Th4 -","4","1","","Travia, Nicholas E.; Monreal, Marisa J.; Scott, Brian L.; Kiplinger, Jaqueline L.","Thorium-mediated ring-opening of tetrahydrofuran and the development of a new thorium starting material: preparation and chemistry of ThI(4)(DME)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14514","14523","10.1039/c2dt31676e","","","0.71073","MoKα","","0.0293","0.0238","","","0.0508","0.0525","","","","","","1.021","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020483","11.5128","0.0011","35.767","0.004","20.375","0.002","90","","99.0963","0.0013","90","","8284.5","1.5","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H57 I3 N2 O2 Th -","- C37 H57 I3 N2 O2 Th -","- C296 H456 I24 N16 O16 Th8 -","8","2","","Travia, Nicholas E.; Monreal, Marisa J.; Scott, Brian L.; Kiplinger, Jaqueline L.","Thorium-mediated ring-opening of tetrahydrofuran and the development of a new thorium starting material: preparation and chemistry of ThI(4)(DME)(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14514","14523","10.1039/c2dt31676e","","","0.71073","MoKα","","0.1002","0.0496","","","0.0851","0.0972","","","","","","0.845","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020484","15.3969","0.0006","19.2277","0.0007","17.8053","0.0006","90","","91.771","0.001","90","","5268.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Cl4 N4 O9 Yb2 -","- C52 H48 Cl4 N4 O9 Yb2 -","- C208 H192 Cl16 N16 O36 Yb8 -","4","1","","Lin, Po-Heng; Sun, Wen-Bin; Tian, Yong-Mei; Yan, Peng-Fei; Ungur, Liviu; Chibotaru, Liviu F.; Murugesu, Muralee","Ytterbium can relax slowly too: a field-induced Yb2 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12349","12352","10.1039/c2dt31677c","","","0.71073","MoKα","","0.0716","0.0337","","","0.0686","0.0814","","","","","","1.003","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020485","8.8207","0.0004","17.2625","0.0005","23.1793","0.001","90","","90.977","0.002","90","","3528.9","0.2","150","","150","2","","","","","","","Synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 N2 O2 Sn -","- C38 H44 N2 O2 Sn -","- C152 H176 N8 O8 Sn4 -","4","0.5","","Piromjitpong, Parichat; Ratanapanee, Passachon; Thumrongpatanaraks, Wipavee; Kongsaeree, Palangpon; Phomphrai, Khamphee","Synthesis of cyclic polylactide catalysed by bis(salicylaldiminato)tin(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12704","12710","10.1039/c2dt31678a","","x-ray","0.71073","MoKα","","0.061","0.0405","","","0.0842","0.0953","","","","","","1.029","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020486","13.069","0.0004","13.069","0.0004","27.1747","0.0009","90","","90","","120","","4019.6","0.2","145","","145","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H29 Cl Mn1.5 N3 O6 -","- C19 H29 Cl Mn1.5 N3 O6 -","- C114 H174 Cl6 Mn9 N18 O36 -","6","1","","Su, Hongying; Wu, Changqiang; Zhu, Jiang; Miao, Tianxin; Wang, Dan; Xia, Chunchao; Zhao, Xuna; Gong, Qiyong; Song, Bin; Ai, Hua","Rigid Mn(ii) chelate as efficient MRI contrast agent for vascular imaging.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14480","14483","10.1039/c2dt31696j","","","0.7107","MoKα","","0.0583","0.0523","","","0.141","0.1454","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020487","12.7647","0.0013","12.7647","0.0013","16.2308","0.0017","90","","90","","120","","2290.3","0.4","130","2","130","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C7 H9 Cl0.33 N O1.5 Ru0.17 -","- C5 H4 Cl0.333333 N O Ru0.166667 -","- C60 H48 Cl4 N12 O12 Ru2 -","12","1","","Fuentes, Michelle J.; Bognanno, Richard J.; Dougherty, William G.; Boyko, Walter J.; Kassel, W. Scott; Dudley, Timothy J.; Paul, Jared J.","Structural, electronic and acid/base properties of [Ru(bpy(OH)2)3]2+ (bpy(OH)2 = 4,4'-dihydroxy-2,2'-bipyridine).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12514","12523","10.1039/c2dt31706k","","","0.71073","MoKα","","0.0644","0.048","","","0.1386","0.1451","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020488","11.6201","0.001","13.0428","0.0011","14.8647","0.0012","76.681","0.003","83.234","0.003","78.748","0.003","2143.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 F12 N6 O7 P2 Ru -","- C39 H42 F12 N6 O7 P2 Ru -","- C78 H84 F24 N12 O14 P4 Ru2 -","2","1","","Fuentes, Michelle J.; Bognanno, Richard J.; Dougherty, William G.; Boyko, Walter J.; Kassel, W. Scott; Dudley, Timothy J.; Paul, Jared J.","Structural, electronic and acid/base properties of [Ru(bpy(OH)2)3]2+ (bpy(OH)2 = 4,4'-dihydroxy-2,2'-bipyridine).","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12514","12523","10.1039/c2dt31706k","","","0.71073","MoKα","","0.0642","0.0423","","","0.094","0.1041","","","","","","1.022","","","","has coordinates,has disorder","179908","2020-10-21","18:00:00",""
"7020489","10.779","0.002","21.445","0.004","10.395","0.002","90","","112.06","0.03","90","","2227","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 La N3 O14.48 -","- C18 H8 La N3 O14.485 -","- C72 H32 La4 N12 O57.94 -","4","1","","Sun, Libo; Li, Yi; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren","Structures and properties of lanthanide metal-organic frameworks based on a 1,2,3-triazole-containing tetracarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12790","12796","10.1039/c2dt31717f","","","0.71073","MoKα","","0.0411","0.0312","","","0.0731","0.0773","","","","","","1.004","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020490","10.491","0.002","20.597","0.004","10.108","0.002","90","","109.95","0.03","90","","2053.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Eu N3 O13 -","- C18 H8 Eu N3 O13 -","- C72 H32 Eu4 N12 O52 -","4","1","","Sun, Libo; Li, Yi; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren","Structures and properties of lanthanide metal-organic frameworks based on a 1,2,3-triazole-containing tetracarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12790","12796","10.1039/c2dt31717f","","","0.71073","MoKα","","0.1177","0.0768","","","0.1838","0.2235","","","","","","1.028","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020491","10.547","0.002","20.708","0.004","10.434","0.002","90","","111.95","0.03","90","","2113.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N3 O13 Tb -","- C18 H8 N3 O13 Tb -","- C72 H32 N12 O52 Tb4 -","4","1","","Sun, Libo; Li, Yi; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren","Structures and properties of lanthanide metal-organic frameworks based on a 1,2,3-triazole-containing tetracarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12790","12796","10.1039/c2dt31717f","","","0.71073","MoKα","","0.0838","0.063","","","0.1498","0.1696","","","","","","1.073","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020492","11.0484","0.0004","20.4845","0.0008","9.7494","0.0004","90","","108.898","0.001","90","","2087.56","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Er N3 O13 -","- C18 H8 Er N3 O13 -","- C72 H32 Er4 N12 O52 -","4","1","","Sun, Libo; Li, Yi; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren","Structures and properties of lanthanide metal-organic frameworks based on a 1,2,3-triazole-containing tetracarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12790","12796","10.1039/c2dt31717f","","","0.71073","MoKα","","0.0616","0.0414","","","0.1111","0.1228","","","","","","1.068","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020493","11.3433","0.0013","14.1759","0.0016","13.0253","0.0015","90","","111.398","0.003","90","","1950.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O2 Pd -","- C21 H22 N2 O2 Pd -","- C84 H88 N8 O8 Pd4 -","4","1","","Melero, Cristóbal; Shishilov, Oleg N.; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Well-defined alkylpalladium complexes with pyridine-carboxylate ligands as catalysts for the aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14087","14100","10.1039/c2dt31728a","","","0.71073","MoKα","","0.0513","0.0339","","","0.0834","0.0891","","","","","","1.01","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020494","12.9145","0.0002","12.9145","0.0002","9.8482","0.0002","90","","90","","90","","1642.53","0.05","120","2","120","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C10 H18 Co4 F5 N6 O21 P6 -","- C10 Co4 F5 N6 O21 P6 -","- C20 Co8 F10 N12 O42 P12 -","2","0.25","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0683","0.0672","","","0.1974","0.1994","","","","","","1.104","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020495","8.5113","0.0007","18.637","0.002","9.9502","0.001","90","","90","","90","","1578.4","0.3","120","2","120","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- Co5 F4 H10 O18 P4 -","- Co5 F4 O18 P4 -","- Co20 F16 O72 P16 -","4","","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.1636","0.1116","","","0.1903","0.2093","","","","","","1.172","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020496","9.3653","0.0003","8.0983","0.0002","9.3066","0.0003","90","","99.508","0.002","90","","696.14","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co3 F4 H8 N2 O12 P4 -","- Co3 F4 H4 N2 O12 P4 -","- Co6 F8 H8 N4 O24 P8 -","2","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0709","0.0507","","","0.101","0.1137","","","","","","1.056","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020497","10.335","0.007","10.772","0.007","7.353","0.005","90","","100.18","0.013","90","","805.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Co3 F6 N3 O8 P2 -","- C4 H12 Co3 F6 N3 O8 P2 -","- C8 H24 Co6 F12 N6 O16 P4 -","2","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71075","MoKα","","0.1628","0.1243","","","0.3141","0.3545","","","","","","1.11","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020498","10.9823","0.0005","12.7987","0.0004","8.9323","0.0003","90","","123.059","0.002","90","","1052.26","0.07","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Co2 F4 Li O10 P4 -","- Co2 F4 Li O10 P4 -","- Co8 F16 Li4 O40 P16 -","4","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0349","0.0318","","","0.0762","0.0785","","","","","","1.063","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020499","19.987","0.002","7.4105","0.0007","7.4952","0.0008","90","","102.129","0.006","90","","1085.36","0.19","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co3 F2 H4 K O12 P3 -","- Co3 F2 H4 K O12 P3 -","- Co12 F8 H16 K4 O48 P12 -","4","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0831","0.0624","","","0.1206","0.1309","","","","","","1.098","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020500","20.1634","0.0008","7.4574","0.0004","7.5081","0.0004","90","","102.759","0.003","90","","1101.09","0.09","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Co3 F4 O10 P3 Rb -","- Co3 F4 O10 P3 Rb -","- Co12 F16 O40 P12 Rb4 -","4","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0916","0.0551","","","0.1091","0.1204","","","","","","1.124","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020501","5.562","0.004","17.125","0.012","11.627","0.008","90","","93.148","0.01","90","","1105.8","1.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C H5 Co F2 N O3 P -","- C H5 Co F2 N O3 P -","- C8 H40 Co8 F16 N8 O24 P8 -","8","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71075","MoKα","","0.0837","0.0636","","","0.1537","0.1835","","","","","","1.113","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020502","4.7869","0.0001","9.0674","0.0003","9.655","0.0003","90","","90","","90","","419.07","0.02","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Co F O4 P -","- Ba Co F O4 P -","- Ba4 Co4 F4 O16 P4 -","4","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0204","0.0202","","","0.0425","0.0428","","","","","","0.926","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020503","14.8737","0.0006","9.6815","0.0004","13.6354","0.0007","90","","90","","90","","1963.49","0.15","120","2","120","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C4 H19.04 Co4 F N4 O17 P4 -","- C4 H19.04 Co4 F3 N4 O15 P4 -","- C16 H76.16 Co16 F12 N16 O60 P16 -","4","0.25","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0661","0.0472","","","0.1064","0.1172","","","","","","1.179","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020504","9.0789","0.0003","8.0947","0.0004","9.2248","0.0004","90","","99.171","0.003","90","","669.27","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co3 F4 K2 O12 P4 -","- Co3 F4 K2 O12 P4 -","- Co6 F8 K4 O24 P8 -","2","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0706","0.0547","","","0.1146","0.1288","","","","","","1.064","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020505","10.0933","0.0007","10.5813","0.0008","15.0387","0.0011","87.74","0.001","84.35","0.001","84.701","0.001","1590.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 Cl2 Mn2 N8 O18 -","- C62 H68 Cl2 Mn2 N8 O18 -","- C62 H68 Cl2 Mn2 N8 O18 -","1","0.5","","Murray, Caroline; Gildea, Brendan; Müller-Bunz, Helge; Harding, Charles J.; Morgan, Grace G.","Co-crystallisation of competing structural modes in geometrically constrained Jahn-Teller manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14487","14489","10.1039/c2dt31742g","","","0.71073","MoKα","","0.043","0.0383","","","0.1049","0.1083","","","","","","1.066","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020506","10.3459","0.0011","10.6187","0.0011","17.4583","0.0019","100.014","0.002","96.329","0.002","115.59","0.002","1666","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl10 Mn2 N8 O14 -","- C60 H56 Cl10 Mn2 N8 O14 -","- C60 H56 Cl10 Mn2 N8 O14 -","1","0.5","","Murray, Caroline; Gildea, Brendan; Müller-Bunz, Helge; Harding, Charles J.; Morgan, Grace G.","Co-crystallisation of competing structural modes in geometrically constrained Jahn-Teller manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14487","14489","10.1039/c2dt31742g","","","0.71073","MoKα","","0.0494","0.0414","","","0.1076","0.1137","","","","","","1.033","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020507","11.041","0.002","22.468","0.004","11.656","0.002","90","","95.026","0.003","90","","2880.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H64 Cl2 Mn2 N8 O14 -","- C60 H64 Cl2 Mn2 N8 O14 -","- C120 H128 Cl4 Mn4 N16 O28 -","2","0.5","","Murray, Caroline; Gildea, Brendan; Müller-Bunz, Helge; Harding, Charles J.; Morgan, Grace G.","Co-crystallisation of competing structural modes in geometrically constrained Jahn-Teller manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14487","14489","10.1039/c2dt31742g","","","0.71073","MoKα","","0.0599","0.0442","","","0.1042","0.113","","","","","","1.075","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020508","8.6033","0.0004","10.1856","0.0005","22.8839","0.0012","91.5241","0.001","99.3171","0.001","102.172","0.001","1930.53","0.17","136","2","136","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H40 B Ir N8 -","- C37 H40 B Ir N8 -","- C74 H80 B2 Ir2 N16 -","2","1","","Conejero, Salvador; Maya, Celia; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L.; Vattier, Florencia; Alvarez, Eleuterio; Carmona, Ernesto; Laguna, Antonio; Crespo, Olga","Iridium(iii) complexes with polypyridine ligands coordinated as N-heterocyclic carbenes. Synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14126","14136","10.1039/c2dt31754k","","","0.71073","MoKα","","0.0382","0.037","","","0.0811","0.0815","","","","","","1.023","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020509","12.3193","0.0002","18.7027","0.0003","15.1514","0.0003","90","","101.005","0.001","90","","3426.75","0.1","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 B Cl3 Ir N8 -","- C32 H41 B Cl3 Ir N8 -","- C128 H164 B4 Cl12 Ir4 N32 -","4","1","","Conejero, Salvador; Maya, Celia; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L.; Vattier, Florencia; Alvarez, Eleuterio; Carmona, Ernesto; Laguna, Antonio; Crespo, Olga","Iridium(iii) complexes with polypyridine ligands coordinated as N-heterocyclic carbenes. Synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14126","14136","10.1039/c2dt31754k","","","0.71073","MoKα","","0.0413","0.0328","","","0.0829","0.0874","","","","","","1.042","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020510","10.3338","0.0012","10.3616","0.0012","16.4268","0.0018","82.641","0.003","78.022","0.002","66.061","0.003","1570.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H40 B Ir N8 -","- C33 H40 B Ir N8 -","- C66 H80 B2 Ir2 N16 -","2","1","","Conejero, Salvador; Maya, Celia; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L.; Vattier, Florencia; Alvarez, Eleuterio; Carmona, Ernesto; Laguna, Antonio; Crespo, Olga","Iridium(iii) complexes with polypyridine ligands coordinated as N-heterocyclic carbenes. Synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14126","14136","10.1039/c2dt31754k","","","0.71073","MoKα","","0.0548","0.0394","","","0.0679","0.0706","","","","","","0.953","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020511","12.0676","0.0003","22.204","0.0007","13.7392","0.0004","90","","108.836","0.001","90","","3484.25","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 B Ir N9 -","- C36 H43 B Ir N9 -","- C144 H172 B4 Ir4 N36 -","4","1","","Conejero, Salvador; Maya, Celia; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L.; Vattier, Florencia; Alvarez, Eleuterio; Carmona, Ernesto; Laguna, Antonio; Crespo, Olga","Iridium(iii) complexes with polypyridine ligands coordinated as N-heterocyclic carbenes. Synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14126","14136","10.1039/c2dt31754k","","","0.71073","MoKα","","0.0354","0.0226","","","0.0492","0.0533","","","","","","1.041","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020512","10.2938","0.0015","11.8722","0.0017","16.064","0.002","100.103","0.004","102.473","0.003","95.845","0.003","1867.1","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 B2 Ir2 N18 O -","- C76 H96 B2 Ir2 N18 O -","- C76 H96 B2 Ir2 N18 O -","1","0.5","","Conejero, Salvador; Maya, Celia; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L.; Vattier, Florencia; Alvarez, Eleuterio; Carmona, Ernesto; Laguna, Antonio; Crespo, Olga","Iridium(iii) complexes with polypyridine ligands coordinated as N-heterocyclic carbenes. Synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14126","14136","10.1039/c2dt31754k","","","0.71073","MoKα","","0.0714","0.0499","","","0.122","0.1364","","","","","","1.115","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020513","10.9949","0.0009","17.1764","0.0014","17.3819","0.0014","104.057","0.002","102.058","0.002","93.35","0.002","3093.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H83 B2 Ir2 N15 O -","- C61 H83 B2 Ir2 N15 O -","- C122 H166 B4 Ir4 N30 O2 -","2","1","","Conejero, Salvador; Maya, Celia; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L.; Vattier, Florencia; Alvarez, Eleuterio; Carmona, Ernesto; Laguna, Antonio; Crespo, Olga","Iridium(iii) complexes with polypyridine ligands coordinated as N-heterocyclic carbenes. Synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14126","14136","10.1039/c2dt31754k","","","0.71073","MoKα","","0.1221","0.0498","","","0.0842","0.1021","","","","","","1.001","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020514","8.6897","0.0003","20.213","0.0006","20.1292","0.0006","90","","102.093","0.001","90","","3457.13","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 B Ir N8 -","- C39 H40 B Ir N8 -","- C156 H160 B4 Ir4 N32 -","4","1","","Conejero, Salvador; Maya, Celia; Paneque, Margarita; Petronilho, Ana; Poveda, Manuel L.; Vattier, Florencia; Alvarez, Eleuterio; Carmona, Ernesto; Laguna, Antonio; Crespo, Olga","Iridium(iii) complexes with polypyridine ligands coordinated as N-heterocyclic carbenes. Synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14126","14136","10.1039/c2dt31754k","","","0.71073","MoKα","","0.0383","0.0284","","","0.0546","0.0571","","","","","","1.061","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020515","14.7244","0.0003","10.5735","0.0002","26.3663","0.0005","90","","90","","90","","4104.93","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H28 P2 Si Zr -","- C17 H28 P2 Si Zr -","- C136 H224 P16 Si8 Zr8 -","8","2","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.0476","0.0372","","","0.0881","0.0962","","","","","","0.88","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020516","13.6768","0.0005","14.4684","0.0006","14.8618","0.0006","102.581","0.002","102.183","0.002","100.369","0.002","2725.79","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H94 B2 F28.77 P4 Si4 Zr4 -","- C110 H94 B2 F28.772 P4 Si4 Zr4 -","- C110 H94 B2 F28.772 P4 Si4 Zr4 -","1","0.5","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.0662","0.0457","","","0.1166","0.1346","","","","","","1.082","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020517","27.1407","0.0012","12.4561","0.0005","18.9658","0.0008","90","","102.03","0.001","90","","6270.9","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H74 Mo P6 Si2 -","- C67 H74 Mo P6 Si2 -","- C268 H296 Mo4 P24 Si8 -","4","0.5","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.0416","0.0294","","","0.07","0.076","","","","","","1.011","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020518","26.479","0.004","12.5536","0.0018","19.03","0.003","90","","90","","90","","6325.7","1.7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H70 Cl4 Mo P6 Si2 -","- C62 H70 Cl4 Mo P6 Si2 -","- C248 H280 Cl16 Mo4 P24 Si8 -","4","0.5","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.1113","0.085","","","0.2232","0.2386","","","","","","1.201","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020519","15.3831","0.0003","8.4729","0.0002","15.5429","0.0003","90","","91.152","0.001","90","","2025.44","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Mo2 O4 P Si -","- C18 H19 Mo2 O4 P Si -","- C72 H76 Mo8 O16 P4 Si4 -","4","1","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.0228","0.0212","","","0.0619","0.0631","","","","","","1.268","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020520","12.1854","0.0002","15.5576","0.0004","19.0907","0.0004","90","","99.217","0.002","90","","3572.4","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 P3 Pt Si -","- C40 H39 P3 Pt Si -","- C160 H156 P12 Pt4 Si4 -","4","1","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.0747","0.0496","","","0.09","0.1006","","","","","","1.153","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020521","11.1118","0.0002","14.1587","0.0003","20.7997","0.0005","79.438","0.001","83.553","0.001","67.897","0.001","2977.16","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H69 P5 Pd2 Si -","- C66.5 H69 P5 Pd2 Si -","- C133 H138 P10 Pd4 Si2 -","2","1","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.1269","0.0744","","","0.1284","0.1508","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020522","14.936","0.002","15","0.002","27.47","0.004","87.751","0.008","80.249","0.007","71.765","0.007","5760.2","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H118 P8 Pd5 Si3 -","- C116 H118 P8 Pd5 Si3 -","- C232 H236 P16 Pd10 Si6 -","2","1","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.0675","0.0499","","","0.1527","0.1733","","","","","","1.032","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020523","11.9543","0.0005","12.7933","0.0006","17.4275","0.0008","76.505","0.001","86.802","0.001","73.545","0.001","2485.39","0.19","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H168 Cl2 Cr2 N10 Nb10 O56 -","- C40 H168 Cl2 Cr2 N10 Nb10 O56 -","- C40 H168 Cl2 Cr2 N10 Nb10 O56 -","1","0.5","","Son, Jung-Ho; Ohlin, C André; Casey, William H.","A new class of soluble and stable transition-metal-substituted polyoxoniobate: [Cr(2)(OH)(4)Nb(10)O(30)](8-).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12674","12677","10.1039/c2dt31760e","","","0.71073","MoKα","","0.0243","0.0205","","","0.0523","0.054","","","","","","1.053","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020524","10.8564","0.0004","14.0354","0.0005","14.0485","0.0005","114.092","0.001","100.701","0.001","102.283","0.001","1818.12","0.12","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H104 Cr2 K2 N6 Nb10 O48 -","- C24 H104 Cr2 K2 N6 Nb10 O48 -","- C24 H104 Cr2 K2 N6 Nb10 O48 -","1","0.5","","Son, Jung-Ho; Ohlin, C André; Casey, William H.","A new class of soluble and stable transition-metal-substituted polyoxoniobate: [Cr(2)(OH)(4)Nb(10)O(30)](8-).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12674","12677","10.1039/c2dt31760e","","","0.71073","MoKα","","0.0251","0.0225","","","0.0549","0.0557","","","","","","1.198","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7020525","9.6658","0.0008","10.6352","0.0009","11.4163","0.001","75.245","0.001","80.56","0.001","87.655","0.001","1119.5","0.16","95","2","95","2","","","","","","","","5","P -1","-P 1","2","","","","- Cr2 H28 K8 Nb10 O46 -","- Cr2 H28 K8 Nb10 O46 -","- Cr2 H28 K8 Nb10 O46 -","1","0.5","","Son, Jung-Ho; Ohlin, C André; Casey, William H.","A new class of soluble and stable transition-metal-substituted polyoxoniobate: [Cr(2)(OH)(4)Nb(10)O(30)](8-).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12674","12677","10.1039/c2dt31760e","","","0.71073","MoKα","","0.0271","0.0238","","","0.0697","0.0719","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020526","15.2718","0.0002","15.6336","0.0003","10.9156","0.0002","90","","90","","90","","2606.13","0.08","130","2","130","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H33 Ga Li N3 Sn -","- C24 H33 Ga Li N3 Sn -","- C96 H132 Ga4 Li4 N12 Sn4 -","4","0.5","","Zeckert, Kornelia","Syntheses and structures of lanthanoid(ii) complexes featuring Sn-M (M = Al, Ga, In) bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14101","14106","10.1039/c2dt31768k","","","0.71073","MoKα","","0.0385","0.0329","","","0.0772","0.079","","","","","","1.033","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020527","18.5639","0.0008","21.5517","0.0006","17.2611","0.0008","90","","117.1","0.006","90","","6147.7","0.5","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Ga Li N3 O Sn -","- C28 H41 Ga Li N3 O Sn -","- C224 H328 Ga8 Li8 N24 O8 Sn8 -","8","2","","Zeckert, Kornelia","Syntheses and structures of lanthanoid(ii) complexes featuring Sn-M (M = Al, Ga, In) bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14101","14106","10.1039/c2dt31768k","","","0.71073","MoKα","","0.1454","0.0624","","","0.104","0.1351","","","","","","1.021","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020528","18.6509","0.0007","21.9927","0.0005","17.3699","0.0006","90","","116.967","0.004","90","","6350.1","0.4","240","2","240","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 In Li N3 O Sn -","- C28 H41 In Li N3 O Sn -","- C224 H328 In8 Li8 N24 O8 Sn8 -","8","2","","Zeckert, Kornelia","Syntheses and structures of lanthanoid(ii) complexes featuring Sn-M (M = Al, Ga, In) bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14101","14106","10.1039/c2dt31768k","","","0.71073","MoKα","","0.0921","0.0519","","","0.1059","0.1249","","","","","","1.025","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020529","20.7309","0.0004","12.1475","0.0002","20.4128","0.0003","90","","99.906","0.002","90","","5063.89","0.15","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H66 Eu Ga2 N6 Sn2 -","- C48 H66 Eu Ga2 N6 Sn2 -","- C192 H264 Eu4 Ga8 N24 Sn8 -","4","0.5","","Zeckert, Kornelia","Syntheses and structures of lanthanoid(ii) complexes featuring Sn-M (M = Al, Ga, In) bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14101","14106","10.1039/c2dt31768k","","","0.71073","MoKα","","0.0434","0.0322","","","0.0586","0.0621","","","","","","1.07","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020530","20.7341","0.0004","12.5374","0.0003","20.1952","0.0004","90","","97.908","0.002","90","","5199.85","0.19","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H66 Eu In2 N6 Sn2 -","- C48 H66 Eu In2 N6 Sn2 -","- C192 H264 Eu4 In8 N24 Sn8 -","4","0.5","","Zeckert, Kornelia","Syntheses and structures of lanthanoid(ii) complexes featuring Sn-M (M = Al, Ga, In) bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14101","14106","10.1039/c2dt31768k","","","0.71073","MoKα","","0.0414","0.0321","","","0.0646","0.0683","","","","","","1.019","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020531","14.559","0.0003","14.559","0.0003","17.5926","0.0006","90","","90","","120","","3229.41","0.14","130","2","130","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H54 Al2 N6 Sn2 Yb -","- C42 H54 Al2 N6 Sn2 Yb -","- C126 H162 Al6 N18 Sn6 Yb3 -","3","0.166667","","Zeckert, Kornelia","Syntheses and structures of lanthanoid(ii) complexes featuring Sn-M (M = Al, Ga, In) bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14101","14106","10.1039/c2dt31768k","","","0.71073","MoKα","","0.0192","0.0165","","","0.0451","0.0456","","","","","","1.093","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020532","9.531","0.006","17.392","0.01","16.284","0.01","90","","101.57","0.01","90","","2644","3","93.15","","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N Ni O3 P S -","- C26 H38 N Ni O3 P S -","- C104 H152 N4 Ni4 O12 P4 S4 -","4","1","","Ito, Shingo; Ota, Yusuke; Nozaki, Kyoko","Ethylene/allyl monomer cooligomerization by nickel/phosphine-sulfonate catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13807","13809","10.1039/c2dt31771k","","","0.71075","MoKα","","0.1076","0.0778","","","0.1412","0.1582","","","","","","1.122","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020533","10.7803","0.0012","12.1101","0.0014","15.1949","0.0016","83.369","0.007","85.334","0.007","69.33","0.007","1841.8","0.4","116","2","116","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 Cl2 Fe N9 O11 -","- C33 H33 Cl2 Fe N9 O11 -","- C66 H66 Cl4 Fe2 N18 O22 -","2","1","","Thompson, John R.; Archer, Rosanna J.; Hawes, Chris S.; Ferguson, Alan; Wattiaux, Alain; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","Thermally and photo-induced spin crossover behaviour in an Fe(ii) imidazolylimine complex: [FeL(3)](ClO(4))(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12720","12725","10.1039/c2dt31776a","","","0.71073","MoKα","","0.0691","0.0422","","","0.0898","0.0972","","","","","","0.897","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020534","10.8735","0.0003","12.243","0.0003","15.4068","0.0004","83.289","0.001","86.175","0.001","70.118","0.001","1914.75","0.09","292","2","292","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 Cl2 Fe N9 O11 -","- C33 H33 Cl2 Fe N9 O11 -","- C66 H66 Cl4 Fe2 N18 O22 -","2","1","","Thompson, John R.; Archer, Rosanna J.; Hawes, Chris S.; Ferguson, Alan; Wattiaux, Alain; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","Thermally and photo-induced spin crossover behaviour in an Fe(ii) imidazolylimine complex: [FeL(3)](ClO(4))(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12720","12725","10.1039/c2dt31776a","","","0.71073","MoKα","","0.0621","0.0471","","","0.1259","0.1338","","","","","","0.977","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020535","5.083","0.0002","8.1957","0.0004","24.4759","0.0012","90","","90","","90","","1019.64","0.08","113","2","113","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Thompson, John R.; Archer, Rosanna J.; Hawes, Chris S.; Ferguson, Alan; Wattiaux, Alain; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","Thermally and photo-induced spin crossover behaviour in an Fe(ii) imidazolylimine complex: [FeL(3)](ClO(4))(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12720","12725","10.1039/c2dt31776a","","","0.71073","MoKα","","0.0497","0.0464","","","0.1212","0.1232","","","","","","1.148","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020536","39.015","0.002","11.2329","0.0005","11.1105","0.0007","90","","90","","90","","4869.2","0.5","110","","110","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H35 Cu N5 O6 -","- C20 H35 Cu N5 O6 -","- C160 H280 Cu8 N40 O48 -","8","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Rüffer, Tobias","An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [(n)Bu(4)N](2)[Cu(opooMe)] and novel asymmetric trinuclear [Cu(3)(opooMe)(pmdta)(2)](NO(3))(2)·3MeCN.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14657","14670","10.1039/c2dt31802d","","","0.71073","MoKα","","0.0877","0.0567","","","0.11","0.116","","","","","","1.029","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020537","34.2134","0.001","13.3036","0.0004","19.7816","0.0005","90","","90","","90","","9003.8","0.4","115","","115","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H79 Cu N5 O5 -","- C43 H79 Cu N5 O5 -","- C344 H632 Cu8 N40 O40 -","8","2","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Rüffer, Tobias","An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [(n)Bu(4)N](2)[Cu(opooMe)] and novel asymmetric trinuclear [Cu(3)(opooMe)(pmdta)(2)](NO(3))(2)·3MeCN.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14657","14670","10.1039/c2dt31802d","","","1.54184","CuKα","","0.0634","0.0549","","","0.1411","0.1452","","","","","","0.98","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020538","11.3391","0.0003","13.9271","0.0004","15.9078","0.0005","97.566","0.003","95.666","0.002","110.349","0.003","2306.49","0.13","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H81.5 N5 Ni O6.25 -","- C43 H81.5 N5 Ni O6.25 -","- C86 H163 N10 Ni2 O12.5 -","2","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Rüffer, Tobias","An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [(n)Bu(4)N](2)[Cu(opooMe)] and novel asymmetric trinuclear [Cu(3)(opooMe)(pmdta)(2)](NO(3))(2)·3MeCN.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14657","14670","10.1039/c2dt31802d","","","0.71073","MoKα","","0.0541","0.035","","","0.0752","0.0778","","","","","","0.924","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020539","8.4822","0.0008","36.854","0.004","15.1713","0.0016","90","","97.601","0.01","90","","4700.9","0.8","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 Cu3 N14 O11 -","- C35 H62 Cu3 N14 O11 -","- C140 H248 Cu12 N56 O44 -","4","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Rüffer, Tobias","An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [(n)Bu(4)N](2)[Cu(opooMe)] and novel asymmetric trinuclear [Cu(3)(opooMe)(pmdta)(2)](NO(3))(2)·3MeCN.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14657","14670","10.1039/c2dt31802d","","","1.54184","CuKα","","0.1271","0.0867","","","0.2228","0.2427","","","","","","0.92","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020540","19.537","0.003","21.367","0.004","16.256","0.003","90","","91.077","0.002","90","","6785","2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 F9 Gd N4 O8 -","- C29 H29 F9 Gd N4 O8 -","- C232 H232 F72 Gd8 N32 O64 -","8","2","","Hu, Peng; Zhu, Mei; Mei, Xuelan; Tian, Haixia; Ma, Yue; Li, Licun; Liao, Daizheng","Single-molecule magnets based on rare earth complexes with chelating benzimidazole-substituted nitronyl nitroxide radicals.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14651","14656","10.1039/c2dt31806g","","","0.71073","MoKα","","0.0536","0.0505","","","0.1462","0.1493","","","","","","1.052","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020541","19.705","0.004","21.772","0.004","16.436","0.003","90","","90.99","0.03","90","","7050","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 F9 N4 O8 Tb -","- C29 H29 F9 N4 O8 Tb -","- C232 H232 F72 N32 O64 Tb8 -","8","2","","Hu, Peng; Zhu, Mei; Mei, Xuelan; Tian, Haixia; Ma, Yue; Li, Licun; Liao, Daizheng","Single-molecule magnets based on rare earth complexes with chelating benzimidazole-substituted nitronyl nitroxide radicals.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14651","14656","10.1039/c2dt31806g","","","0.71073","MoKα","","0.0805","0.0593","","","0.151","0.1694","","","","","","1.018","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020542","19.763","0.004","21.816","0.004","16.48","0.003","90","","90.86","0.03","90","","7105","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Dy F9 N4 O8 -","- C29 H29 Dy F9 N4 O8 -","- C232 H232 Dy8 F72 N32 O64 -","8","2","","Hu, Peng; Zhu, Mei; Mei, Xuelan; Tian, Haixia; Ma, Yue; Li, Licun; Liao, Daizheng","Single-molecule magnets based on rare earth complexes with chelating benzimidazole-substituted nitronyl nitroxide radicals.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14651","14656","10.1039/c2dt31806g","","","0.71073","MoKα","","0.0913","0.0683","","","0.1667","0.1852","","","","","","1.052","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020543","12.7901","0.0004","11.2349","0.0003","17.2291","0.0006","90","","130.203","0.002","90","","1890.88","0.12","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C39 H52 Fe N3 O8 -","- C39 H52 Fe N3 O8 -","- C78 H104 Fe2 N6 O16 -","2","1","","Nemec, Ivan; Machata, Marek; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk","A new family of Fe(2)Ln complexes built from mononuclear anionic Schiff base subunits.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14603","14610","10.1039/c2dt31809a","","","0.71073","MoKα","","0.0374","0.0344","","","0.0899","0.091","","","","","","1.08","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020544","15.8762","0.0004","16.7247","0.0003","22.2668","0.0005","90","","108.368","0.002","90","","5611.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Fe2 N5 O19 Tb -","- C56 H52 Fe2 N5 O19 Tb -","- C224 H208 Fe8 N20 O76 Tb4 -","4","1","","Nemec, Ivan; Machata, Marek; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk","A new family of Fe(2)Ln complexes built from mononuclear anionic Schiff base subunits.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14603","14610","10.1039/c2dt31809a","","","0.71073","MoKα","","0.0559","0.0297","","","0.0616","0.0654","","","","","","0.901","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020545","8.0187","0.0001","8.8596","0.0001","15.3509","0.0002","82.19","0.001","82.56","0.001","79.606","0.001","1056.54","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Hg I2 N4 O2 -","- C18 H14 Hg I2 N4 O2 -","- C36 H28 Hg2 I4 N8 O4 -","2","1","","Yuan, Zi-Zun; Luo, Feng; Song, Yu-Mei; Sun, Gong-Ming; Tian, Xiao-Zhao; Huang, Hai-Xiao; Zhu, Yan; Feng, Xue-Feng; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan","Solvent-induced supramolecular isomers, structural diversity, and unprecedented in situ formation of both inorganic and organic ions in inorganic-organic mercury(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12670","12673","10.1039/c2dt31819a","","","0.71073","MoKα","","0.0267","0.0257","","","0.063","0.0636","","","","","","1.06","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020546","12.9797","0.001","13.0797","0.001","13.7456","0.0011","96.115","0.005","101.424","0.004","93.178","0.004","2267.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl2 Fe N2 O10 -","- C44 H52 Cl2 Fe N2 O10 -","- C88 H104 Cl4 Fe2 N4 O20 -","2","1","","Bhattacharyya, Koyel X.; Boubekeur-Lecaque, Leïla; Tapsoba, Issa; Maisonhaute, Emmanuel; Schöllhorn, Bernd; Amatore, Christian","Water-soluble, redox-active organometallic calcium chelators.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14257","14264","10.1039/c2dt31830j","","","0.71073","MoKα","","0.0844","0.0456","","","0.0995","0.1246","","","","","","1.147","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020547","12.92","0.0015","13.107","0.0014","18.319","0.0015","69.343","0.008","77.511","0.007","62.753","0.007","2575.1","0.5","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 Fe2 N2 O10 -","- C54 H56 Fe2 N2 O10 -","- C108 H112 Fe4 N4 O20 -","2","1","","Bhattacharyya, Koyel X.; Boubekeur-Lecaque, Leïla; Tapsoba, Issa; Maisonhaute, Emmanuel; Schöllhorn, Bernd; Amatore, Christian","Water-soluble, redox-active organometallic calcium chelators.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14257","14264","10.1039/c2dt31830j","","","0.71073","MoKα","","0.1139","0.0501","","","0.0851","0.1084","","","","","","1.018","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020548","15.4329","0.0003","15.7352","0.0003","25.7359","0.0005","90","","90","","90","","6249.7","0.2","193","2","193","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C30 H41 Au Cl O P3 -","- C30 H41 Au Cl O P3 -","- C240 H328 Au8 Cl8 O8 P24 -","8","1","","Derrah, Eric J.; Martin, Carmen; Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Coordination of a diphosphine-phosphine oxide to Au, Ag and Rh: when polyfunctionality rhymes with versatility.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14274","14280","10.1039/c2dt31848b","","x-ray","0.71073","MoKα","","0.0735","0.0344","","","0.0753","0.0929","","","","","","1.076","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020549","8.832","0.004","18.83","0.008","18.315","0.008","90","","97.935","0.01","90","","3017","2","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Ag Cl O P3 -","- C30 H41 Ag Cl O P3 -","- C120 H164 Ag4 Cl4 O4 P12 -","4","1","","Derrah, Eric J.; Martin, Carmen; Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Coordination of a diphosphine-phosphine oxide to Au, Ag and Rh: when polyfunctionality rhymes with versatility.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14274","14280","10.1039/c2dt31848b","","x-ray","0.71073","MoKα","","0.0504","0.0325","","","0.0703","0.0766","","","","","","1.031","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020550","10.4107","0.0002","10.5382","0.0002","17.976","0.0003","75.424","0.001","74.683","0.001","71.338","0.001","1771.69","0.06","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C37 H49 Cl O P3 Rh -","- C37 H49 Cl O P3 Rh -","- C74 H98 Cl2 O2 P6 Rh2 -","2","1","","Derrah, Eric J.; Martin, Carmen; Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Coordination of a diphosphine-phosphine oxide to Au, Ag and Rh: when polyfunctionality rhymes with versatility.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14274","14280","10.1039/c2dt31848b","","x-ray","0.71073","MoKα","","0.0296","0.0255","","","0.068","0.0707","","","","","","1.024","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020551","8.1191","0.0005","19.9268","0.0012","23.3037","0.0015","68.072","0.003","85.812","0.003","85.295","0.003","3482","0.4","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C32 H41 F3 O5 P3 Rh S -","- C32 H41 F3 O5 P3 Rh S -","- C128 H164 F12 O20 P12 Rh4 S4 -","4","2","","Derrah, Eric J.; Martin, Carmen; Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Coordination of a diphosphine-phosphine oxide to Au, Ag and Rh: when polyfunctionality rhymes with versatility.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14274","14280","10.1039/c2dt31848b","","x-ray","0.71073","MoKα","","0.1047","0.0602","","","0.1232","0.1396","","","","","","1.051","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020552","13.1353","0.0007","14.794","0.001","18.6824","0.0013","68.452","0.006","80.755","0.005","82.839","0.005","3324.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H37 N5 O3 -","- C40 H35 N5 O3 -","- C160 H140 N20 O12 -","4","2","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.0821","0.0524","","","0.1171","0.1322","","","","","","1.023","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020553","14.9201","0.0007","20.8977","0.0011","15.4577","0.0008","90","","117.565","0.002","90","","4272.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 K2 N4 O5 -","- C47 H52 K2 N4 O5 -","- C188 H208 K8 N16 O20 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.0866","0.0718","","","0.175","0.1845","","","","","","1.101","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020554","9.7164","0.0009","23.209","0.002","25.187","0.003","90","","91.066","0.001","90","","5678.9","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 N5 O2 Pd -","- C32 H35 N5 O2 Pd -","- C256 H280 N40 O16 Pd8 -","8","2","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.0622","0.0494","","","0.1184","0.1298","","","","","","1.112","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020555","16.211","0.006","12.099","0.004","20.592","0.007","90","","111.477","0.005","90","","3758","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 N5 O2 Pd -","- C43 H50 N5 O2 Pd -","- C172 H200 N20 O8 Pd4 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.0622","0.0566","","","0.1439","0.1481","","","","","","1.083","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020556","8.6736","0.0003","14.6814","0.0004","25.5451","0.0008","90","","97.84","0.003","90","","3222.52","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 N5 O2 Pd -","- C40 H33 N5 O2 Pd -","- C160 H132 N20 O8 Pd4 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.0572","0.0435","","","0.0948","0.1023","","","","","","1.083","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020557","13.54","0.005","20.124","0.005","14.798","0.005","90","0.005","111.333","0.005","90","0.005","3756","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Cl N4 O6 Ti -","- C39 H48 Cl N4 O6 Ti -","- C156 H192 Cl4 N16 O24 Ti4 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.1173","0.0527","","","0.1344","0.1456","","","","","","0.817","","","","has coordinates","209454","2020-10-21","18:00:00",""
"7020558","9.9312","0.0003","16.3385","0.0004","21.0755","0.0005","90","","99.777","0.001","90","","3370.06","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Cl N4 O6 V -","- C35 H42 Cl N4 O6 V -","- C140 H168 Cl4 N16 O24 V4 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.1356","0.0412","","","0.0648","0.1124","","","","","","0.782","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020559","12.9879","0.001","21.2422","0.0017","14.5019","0.0008","90","","104.939","0.007","90","","3865.7","0.5","119.98","0.1","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 Cl Cr N5 O3 -","- C46 H39 Cl Cr N5 O3 -","- C184 H156 Cl4 Cr4 N20 O12 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","1.54184","CuKα","","0.1362","0.094","","","0.2542","0.301","","","","","","1.096","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020560","13.8243","0.0009","24.612","0.003","15.1874","0.001","90","","100.065","0.006","90","","5087.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Co N4 O8 -","- C43 H38 Co N4 O8 -","- C172 H152 Co4 N16 O32 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.1944","0.1286","","","0.3741","0.393","","","","","","1.131","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020561","15.0941","0.0002","17.0962","0.0002","14.9472","0.0002","90","","104.537","0.002","90","","3733.67","0.09","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H41 Co N5 O3 -","- C46 H41 Co N5 O3 -","- C184 H164 Co4 N20 O12 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71073","MoKα","","0.042","0.0345","","","0.0896","0.0941","","","","","","1.057","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020562","16.3981","0.0006","11.9955","0.0003","20.8155","0.0008","90","","113.323","0.005","90","","3759.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 Co N5 O2 -","- C43 H50 Co N5 O2 -","- C172 H200 Co4 N20 O8 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","1.54184","CuKα","","0.0646","0.0523","","","0.1341","0.1417","","","","","","1.037","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020563","12.12","0.003","13.077","0.003","20.726","0.005","95.077","0.008","90.782","0.006","95.088","0.011","3258.4","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H83 Fe2 N8 O10 -","- C73 H83 Fe2 N8 O10 -","- C146 H166 Fe4 N16 O20 -","2","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","0.71075","MoKα","","0.101","0.0825","","","0.2247","0.2489","","","","","","1.042","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020564","25.365","0.005","12.448","0.005","20.697","0.005","90","0.005","105.979","0.005","90","0.005","6282","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H79 Mn2 N8 O10 -","- C70 H79 Mn2 N8 O10 -","- C280 H316 Mn8 N32 O40 -","4","1","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","1.5418","CuKα","","0.0447","0.0332","","","0.0829","0.0861","","","","","","0.851","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020565","12.4047","0.0001","18.6551","0.0002","24.0651","0.0003","90","","90","","90","","5568.93","0.1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C64 H70 Co2 N10 O4 -","- C64 H70 Co2 N10 O4 -","- C256 H280 Co8 N40 O16 -","4","0.5","","Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.","Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13815","13831","10.1039/c2dt31850d","","","1.5418","CuKα","","0.0565","0.0452","","","0.1164","0.1252","","","","","","1.028","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020566","22.621","0.007","11.489","0.003","25.264","0.007","90","","90","","90","","6566","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H69 N20 O11.5 P4 -","- C44 H69 N20 O11.5 P4 -","- C176 H276 N80 O46 P16 -","4","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Chen, Qihui; Bu, Yang; Hong, Maochun","Three novel 3D coordination polymers based on a flexible multisite cyclotetraphosphazene ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14038","14041","10.1039/c2dt31852k","","","0.71073","MoKα","","0.0898","0.0778","","","0.2219","0.2342","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020567","17.215","0.003","18.088","0.004","44.671","0.008","90","","90","","90","","13910","5","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C21 H21 Cl Co N10 O6 P2 -","- C21 H21 Cl Co N10 O6 P2 -","- C336 H336 Cl16 Co16 N160 O96 P32 -","16","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Chen, Qihui; Bu, Yang; Hong, Maochun","Three novel 3D coordination polymers based on a flexible multisite cyclotetraphosphazene ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14038","14041","10.1039/c2dt31852k","","","0.71073","MoKα","","0.0611","0.0598","","","0.1832","0.1852","","","","","","1.083","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020568","17.3043","0.0005","18.3115","0.0007","45.7907","0.0017","90","","90","","90","","14509.6","0.9","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C21 H21 Cd Cl N10 O6 P2 -","- C21 H21 Cd Cl N10 O6 P2 -","- C336 H336 Cd16 Cl16 N160 O96 P32 -","16","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Chen, Qihui; Bu, Yang; Hong, Maochun","Three novel 3D coordination polymers based on a flexible multisite cyclotetraphosphazene ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14038","14041","10.1039/c2dt31852k","","","0.71073","MoKα","","0.062","0.0588","","","0.1837","0.1876","","","","","","1.081","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020569","37.979","0.005","37.979","0.005","16.959","0.003","90","","90","","90","","24462","6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C160 H160 Cu9 N80 O0 P16 -","- C160 H160 Cu9 N80 P16 -","- C640 H640 Cu36 N320 P64 -","4","0.25","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Chen, Qihui; Bu, Yang; Hong, Maochun","Three novel 3D coordination polymers based on a flexible multisite cyclotetraphosphazene ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14038","14041","10.1039/c2dt31852k","","","0.71073","MoKα","","0.0701","0.0606","","","0.176","0.1835","","","","","","1.038","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020570","12.1397","0.0002","12.9915","0.0002","19.7574","0.0002","91.918","0.0003","94.767","0.0003","93.8292","0.0005","3095.9","0.08","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H32 N4 O6 -","- C36 H32 N4 O6 -","- C144 H128 N16 O24 -","4","2","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0759","0.0366","","0.075","0.0428","0.0428","","","","","","1.1004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020571","13.9875","0.0001","17.3504","0.0002","16.4504","0.0002","90","","102.276","0.0006","90","","3901.03","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 N4 O6 -","- C44 H48 N4 O6 -","- C176 H192 N16 O24 -","4","1","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0774","0.048","","0.1044","0.0949","0.1044","","","","","","0.927","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020572","11.2058","0.0002","11.4803","0.0002","12.5044","0.0002","68.4885","0.0009","76.8457","0.0008","78.7278","0.0008","1446.14","0.04","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P -1","-P 1","2","","","","- C35 H32 N4 O4 -","- C35 H32 N4 O4 -","- C70 H64 N8 O8 -","2","1","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0687","0.0384","","0.0723","0.0429","0.0429","","","","","","1.1164","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020573","31.0387","0.0004","12.887","0.0003","14.351","0.0002","90","","108.59","0.001","90","","5440.82","0.17","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C64.56 H47.13 Cl1.13 Mn N8 O4 -","- C64.564 H47.128 Cl1.128 Mn N8 O4 -","- C258.256 H188.512 Cl4.512 Mn4 N32 O16 -","4","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0657","0.0435","","0.0636","0.0518","0.0518","","","","","","1.0548","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020574","11.7772","0.0003","19.0933","0.0005","16.9997","0.0004","90","","95.7201","0.0011","90","","3803.61","0.17","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C74.734 H67.468 Cl7.468 Mn2 N8 O12 -","- C74.734 H67.468 Cl7.468 Mn2 N8 O12 -","- C149.468 H134.936 Cl14.936 Mn4 N16 O24 -","2","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.1129","0.0623","","0.1159","0.0744","0.0744","","","","","","1.1019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020575","12.6238","0.0003","13.0182","0.0003","14.6494","0.0004","79.745","0.002","66.043","0.002","84.906","0.002","2164.56","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H98 Cl4 Mn N8 O12 -","- C90 H98 Cl4 Mn N8 O12 -","- C90 H98 Cl4 Mn N8 O12 -","1","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","1.5418","CuKα","","0.0528","0.0414","","0.0984","0.0926","0.0983","","","","","","1.0142","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020576","13.8206","0.0002","12.3235","0.0002","15.5858","0.0002","90","","95.0494","0.0006","90","","2644.24","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H46 Fe N8 O4 -","- C64 H46 Fe N8 O4 -","- C128 H92 Fe2 N16 O8 -","2","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0516","0.0367","","0.0941","0.08","0.0941","","","","","","0.9298","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020577","12.716","0.0002","13.7894","0.0002","15.7739","0.0002","69.5889","0.0006","68.2544","0.0006","77.5909","0.0006","2396.07","0.06","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","6","P -1","-P 1","2","","","","- C82 H90 Cl12 Fe4 N8 O16 -","- C82 H90 Cl12 Fe4 N8 O16 -","- C82 H90 Cl12 Fe4 N8 O16 -","1","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0656","0.0482","","0.073","0.0596","0.0596","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020578","11.167","0.002","12.168","0.002","13.514","0.002","110.506","0.006","111.012","0.008","99.483","0.008","1514.4","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 Fe N8 O12 -","- C72 H62 Fe N8 O12 -","- C72 H62 Fe N8 O12 -","1","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.1795","0.1458","","0.3122","0.2998","0.312","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020579","12.5703","0.0005","13.0224","0.0005","14.5998","0.0006","80.272","0.003","66.147","0.004","85.055","0.003","2153.94","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H98 Cl4 Fe N8 O12 -","- C90 H98 Cl4 Fe N8 O12 -","- C90 H98 Cl4 Fe N8 O12 -","1","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","1.5418","CuKα","","0.0544","0.0456","","0.1234","0.1172","0.1233","","","","","","1.0007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020580","12.0788","0.0002","14.7551","0.0002","17.433","0.0002","65.792","0.0005","83.7864","0.0004","86.3306","0.0005","2816.45","0.07","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C108 H102 Cl12 Fe3 N12 O18 -","- C108 H104 Cl12 Fe3 N12 O18 -","- C108 H104 Cl12 Fe3 N12 O18 -","1","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0878","0.0621","","0.0947","0.0747","0.0747","","","","","","1.0486","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020581","13.8042","0.0002","11.9718","0.0002","15.9231","0.0003","90","","96.2482","0.0009","90","","2615.84","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H46 N8 Ni O4 -","- C64 H46 N8 Ni O4 -","- C128 H92 N16 Ni2 O8 -","2","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0636","0.0425","","0.1154","0.0962","0.1154","","","","","","0.9422","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020582","11.4357","0.0003","13.5314","0.0003","16.1192","0.0006","109.621","0.001","94.1992","0.0011","108.888","0.002","2176.14","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 N8 Ni O12 -","- C72 H62 N8 Ni O12 -","- C72 H62 N8 Ni O12 -","1","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.1178","0.0936","","0.3102","0.2623","0.3102","","","","","","0.9801","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020583","13.8101","0.0002","16.6015","0.0003","18.5646","0.0003","90","","96.6213","0.0009","90","","4227.89","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H110 N8 Ni O14 -","- C96 H110 N8 Ni O14 -","- C192 H220 N16 Ni2 O28 -","2","0.5","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0699","0.0525","","0.112","0.0986","0.1118","","","","","","1.0326","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020584","14.1426","0.0002","22.544","0.0004","11.9542","0.0002","90","","90.603","0.001","90","","3811.16","0.11","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 N5 O7 -","- C41 H47 N5 O7 -","- C164 H188 N20 O28 -","4","1","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.0932","0.0551","","0.1651","0.1284","0.1651","","","","","","0.9587","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020585","20.2222","0.0004","23.5384","0.0005","23.4924","0.0005","90","","92.4789","0.0009","90","","11171.9","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C117 H118 Cl2 Fe N15 O20 -","- C117 H118 Cl2 Fe N15 O20 -","- C468 H472 Cl8 Fe4 N60 O80 -","4","1","","Jones, Michael W.; Baldwin, Jack E.; Cowley, Andrew R.; Dilworth, Jonathan R.; Karpov, Alexei; Smiljanic, Nicolas; Thompson, Amber L.; Adlington, Robert M.","Synthesis of new bulky bis(pyrazolyl)methane carboxylate (heteroscorpionate) ligands and their complexes with iron, manganese and nickel.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14068","14086","10.1039/c2dt31859h","","","0.71073","MoKα","","0.2089","0.1212","","0.0881","0.0577","0.0577","","","","","","0.992","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020586","24.0674","0.0003","5.1499","0.0001","15.5647","0.0002","90","","97.626","0.001","90","","1912.1","0.05","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N4 O6 Zn -","- C20 H16 N4 O6 Zn -","- C80 H64 N16 O24 Zn4 -","4","0.5","","Luo, Feng; Sun, Gong-Ming; Zheng, An-Min; Lian, Shi-Xun; Liu, Ying-Liang; Feng, Xue Feng; Chu, Yue-Ying","Promising long-lasting phosphor material: a novel metal-organic framework showing intriguing luminescent performance.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13280","13283","10.1039/c2dt31879b","","","0.71073","MoKα","","0.0268","0.0247","","","0.0685","0.0699","","","","","","1.084","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020587","22.9159","0.0006","17.9577","0.0005","21.4995","0.0006","90","","107.871","0.002","90","","8420.5","0.4","193","2","193","2","","","","","","","","11","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 B Cl4 F4 Fe I Ni O3 P2 S2 -","- C34 H34 B1.001 Cl4 F4.004 Fe I Ni O3 P2 S2 -","- C272 H272 B8.008 Cl32 F32.032 Fe8 I8 Ni8 O24 P16 S16 -","8","1","","Schilter, David; Rauchfuss, Thomas B.","Nickel-iron dithiolates related to the deactivated [NiFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13324","13329","10.1039/c2dt31895d","","","1.54178","CuKα","","0.0548","0.0366","","","0.084","0.092","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020588","11.2637","0.0015","11.4301","0.0014","12.4309","0.0016","102.078","0.004","109.688","0.004","92.306","0.004","1462.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H39 Co2 N7 O18 -","- C62 H36 Co2 N7 O18 -","- C62 H36 Co2 N7 O18 -","1","0.5","","Jing, Xue-Hui; Yi, Xiu-Chun; Gao, En-Qing; Blatov, Vladislav A.","Synthesis, structure, topology and magnetic properties of cobalt(ii) coordination polymers with 2-nitrobiphenyl-4,4'-dicarboxylic acid and bis(pyridyl) ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14316","14328","10.1039/c2dt31917a","","","0.71073","MoKα","","0.0543","0.0373","","","0.093","0.1061","","","","","","0.953","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020589","21.5771","0.0011","18.2763","0.0009","22.6883","0.0011","90","","117.481","0.002","90","","7937.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H53 Co3 N9 O22 -","- C72 H46.692 Co3 N9 O22 -","- C288 H186.768 Co12 N36 O88 -","4","0.5","","Jing, Xue-Hui; Yi, Xiu-Chun; Gao, En-Qing; Blatov, Vladislav A.","Synthesis, structure, topology and magnetic properties of cobalt(ii) coordination polymers with 2-nitrobiphenyl-4,4'-dicarboxylic acid and bis(pyridyl) ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14316","14328","10.1039/c2dt31917a","","","0.71073","MoKα","","0.1207","0.074","","","0.1961","0.2365","","","","","","1.087","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020590","34.568","0.007","14.343","0.003","19.344","0.004","90","","115.71","0.03","90","","8641","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H29.5 Co2 N5 O12.25 -","- C46 H28 Co2 N5 O12.25 -","- C368 H224 Co16 N40 O98 -","8","1","","Jing, Xue-Hui; Yi, Xiu-Chun; Gao, En-Qing; Blatov, Vladislav A.","Synthesis, structure, topology and magnetic properties of cobalt(ii) coordination polymers with 2-nitrobiphenyl-4,4'-dicarboxylic acid and bis(pyridyl) ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14316","14328","10.1039/c2dt31917a","","","0.71073","MoKα","","0.1132","0.0624","","","0.1221","0.1457","","","","","","0.821","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020591","15.3413","0.0006","7.9077","0.0003","27.2146","0.001","90","","98.573","0.001","90","","3264.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H44 Co4 N6 O28 -","- C66 H40 Co4 N6 O28 -","- C132 H80 Co8 N12 O56 -","2","0.5","","Jing, Xue-Hui; Yi, Xiu-Chun; Gao, En-Qing; Blatov, Vladislav A.","Synthesis, structure, topology and magnetic properties of cobalt(ii) coordination polymers with 2-nitrobiphenyl-4,4'-dicarboxylic acid and bis(pyridyl) ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14316","14328","10.1039/c2dt31917a","","","0.71073","MoKα","","0.0734","0.0542","","","0.1679","0.1848","","","","","","0.978","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020592","16.9571","0.0017","14.944","0.0015","19.461","0.002","90","","90","","90","","4931.6","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Cl2 N3 Pd -","- C21 H23 Cl2 N3 Pd -","- C168 H184 Cl16 N24 Pd8 -","8","1","","Guo, Xu-Qing; Wang, Ya-Nong; Wang, Dong; Cai, Li-Hua; Chen, Zhen-Xia; Hou, Xiu-Feng","Palladium, iridium and ruthenium complexes with acyclic imino-N-heterocyclic carbenes and their application in aqua-phase Suzuki-Miyaura cross-coupling reaction and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14557","14567","10.1039/c2dt31989f","","","0.71073","MoKα","","0.0354","0.0313","","","0.0842","0.0875","","","","","","1.122","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020593","41.54","0.03","11.423","0.005","32.26","0.02","90","","113.6","0.04","90","","14027","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H42 Cl3 Ir N3 O1.5 -","- C31.5 H40.5 Cl3 Ir N3 O1.5 -","- C504 H648 Cl48 Ir16 N48 O24 -","16","2","","Guo, Xu-Qing; Wang, Ya-Nong; Wang, Dong; Cai, Li-Hua; Chen, Zhen-Xia; Hou, Xiu-Feng","Palladium, iridium and ruthenium complexes with acyclic imino-N-heterocyclic carbenes and their application in aqua-phase Suzuki-Miyaura cross-coupling reaction and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14557","14567","10.1039/c2dt31989f","","","0.71073","MoKα","","0.0972","0.0596","","","0.1544","0.1784","","","","","","0.991","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020594","8.8397","0.0012","11.0339","0.0015","17.918","0.002","91.615","0.002","102.572","0.002","96.477","0.002","1692.4","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H31 Cl F6 N4 O4 Ru S2 -","- C30 H31 Cl F6 N4 O4 Ru S2 -","- C60 H62 Cl2 F12 N8 O8 Ru2 S4 -","2","1","","Guo, Xu-Qing; Wang, Ya-Nong; Wang, Dong; Cai, Li-Hua; Chen, Zhen-Xia; Hou, Xiu-Feng","Palladium, iridium and ruthenium complexes with acyclic imino-N-heterocyclic carbenes and their application in aqua-phase Suzuki-Miyaura cross-coupling reaction and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14557","14567","10.1039/c2dt31989f","","","0.71073","MoKα","","0.0611","0.0531","","","0.133","0.1441","","","","","","1.133","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020595","21.652","0.003","11.8115","0.0016","22.608","0.003","90","","93.7316","0.0015","90","","5769.6","1.4","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 N6 O8 Zn -","- C72 H60 N6 O8 Zn -","- C288 H240 N24 O32 Zn4 -","4","1","","Sakamoto, Ryota; Kusaka, Shinpei; Kitagawa, Yasutaka; Kishida, Masa-Aki; Hayashi, Mikihiro; Takara, Yusuke; Tsuchiya, Mizuho; Kakinuma, Junko; Takeda, Takuma; Hirata, Keisuke; Ogino, Tomoya; Kawahara, Keisuke; Yagi, Toshiki; Ikehira, Shu; Nakamura, Tomoya; Isomura, Mayuko; Toyama, Mikoto; Ichikawa, Saki; Okumura, Mitsutaka; Nishihara, Hiroshi","Fluorescent azadipyrrinato zinc(ii) complex: hybridisation with a dipyrrinato ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14035","14037","10.1039/c2dt32039h","","","0.7107","MoKα","","","0.0566","","","","0.1531","","","","","","1.069","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020596","25.194","0.008","7.483","0.003","22.121","0.008","90","","112.754","0.004","90","","3846","2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 N5 O4 Zn -","- C47 H41 N5 O4 Zn -","- C188 H164 N20 O16 Zn4 -","4","1","","Sakamoto, Ryota; Kusaka, Shinpei; Kitagawa, Yasutaka; Kishida, Masa-Aki; Hayashi, Mikihiro; Takara, Yusuke; Tsuchiya, Mizuho; Kakinuma, Junko; Takeda, Takuma; Hirata, Keisuke; Ogino, Tomoya; Kawahara, Keisuke; Yagi, Toshiki; Ikehira, Shu; Nakamura, Tomoya; Isomura, Mayuko; Toyama, Mikoto; Ichikawa, Saki; Okumura, Mitsutaka; Nishihara, Hiroshi","Fluorescent azadipyrrinato zinc(ii) complex: hybridisation with a dipyrrinato ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14035","14037","10.1039/c2dt32039h","","","0.7107","MoKα","","","0.0881","","","","0.2336","","","","","","1.083","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020597","9.9903","0.0002","26.4341","0.0007","13.322","0.0003","90","","101.056","0.002","90","","3452.84","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cu N10 O11 Tb W -","- C26 H18 Cu N10 O11 Tb W -","- C104 H72 Cu4 N40 O44 Tb4 W4 -","4","1","","Visinescu, Diana; Jeon, Ie-Rang; Madalan, Augustin M.; Alexandru, Maria-Gabriela; Jurca, Bogdan; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius","Self-assembly of [Cu(II)Tb(III)](3+) and [W(CN)(8)](3-) tectons: a case study of a mixture containing two complexes showing slow-relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13578","13581","10.1039/c2dt32081a","","","0.71073","MoKα","","0.0653","0.0481","","","0.1178","0.1254","","","","","","1.04","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020598","9.0828","0.0003","20.1071","0.0006","10.2803","0.0003","90","","95.118","0.002","90","","1869.99","0.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H33 Cu N11 O10 Tb W -","- C28 H21 Cu N11 O10 Tb W -","- C56 H42 Cu2 N22 O20 Tb2 W2 -","2","1","","Visinescu, Diana; Jeon, Ie-Rang; Madalan, Augustin M.; Alexandru, Maria-Gabriela; Jurca, Bogdan; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius","Self-assembly of [Cu(II)Tb(III)](3+) and [W(CN)(8)](3-) tectons: a case study of a mixture containing two complexes showing slow-relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13578","13581","10.1039/c2dt32081a","","","0.71073","MoKα","","0.0494","0.0361","","","0.0609","0.0645","","","","","","0.997","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020599","8.5225","0.0009","14.1788","0.0016","22.958","0.003","90","","90","","90","","2774.2","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl3 F Ir N O -","- C27 H30 Cl3 F Ir N O -","- C108 H120 Cl12 F4 Ir4 N4 O4 -","4","1","","Lucas, Stephanie J.; Lord, Rianne M.; Wilson, Rachel L.; Phillips, Roger M.; Sridharan, Visuvanathar; McGowan, Patrick C.","Synthesis of iridium and ruthenium complexes with (N,N), (N,O) and (O,O) coordinating bidentate ligands as potential anti-cancer agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13800","13802","10.1039/c2dt32104a","","","0.71073","MoKα","","0.034","0.0281","","","0.0697","0.0722","","","","","","1.033","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020600","9.841","0.0005","10.4805","0.0006","12.3289","0.0007","100.643","0.002","102.502","0.002","104.424","0.002","1163.39","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H27 Cl F N O Ru -","- C26 H27 Cl F N O Ru -","- C52 H54 Cl2 F2 N2 O2 Ru2 -","2","1","","Lucas, Stephanie J.; Lord, Rianne M.; Wilson, Rachel L.; Phillips, Roger M.; Sridharan, Visuvanathar; McGowan, Patrick C.","Synthesis of iridium and ruthenium complexes with (N,N), (N,O) and (O,O) coordinating bidentate ligands as potential anti-cancer agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13800","13802","10.1039/c2dt32104a","","","0.71073","MoKα","","0.0328","0.0289","","","0.0805","0.0832","","","","","","1.037","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020601","26.532","0.003","8.419","0.0011","16.576","0.002","90","","90","","90","","3702.6","0.8","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl Ir O3 -","- C20 H20 Cl Ir O3 -","- C160 H160 Cl8 Ir8 O24 -","8","2","","Lucas, Stephanie J.; Lord, Rianne M.; Wilson, Rachel L.; Phillips, Roger M.; Sridharan, Visuvanathar; McGowan, Patrick C.","Synthesis of iridium and ruthenium complexes with (N,N), (N,O) and (O,O) coordinating bidentate ligands as potential anti-cancer agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13800","13802","10.1039/c2dt32104a","","","0.71073","MoKα","","0.028","0.0254","","","0.0604","0.062","","","","","","1.113","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020602","13.6407","0.0008","9.5515","0.0005","17.0852","0.0008","90","","90","","90","","2226","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H26 Cl2 N5 O4 Pd -","- C19 H26 Cl2 N5 O4 Pd -","- C76 H104 Cl8 N20 O16 Pd4 -","4","0.5","","Tang, Fengzhi; Qu, Fengrui; Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","Structural and reactivity comparison of analogous organometallic Pd(iii) and Pd(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14046","14050","10.1039/c2dt32127k","","","0.71073","MoKα","","0.0469","0.0399","","","0.0869","0.0892","","","","","","1.272","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020603","14.291","0.009","16.499","0.011","11.466","0.006","90","","107.243","0.009","90","","2582","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 I N Ni P2 -","- C30 H26 I N Ni P2 -","- C120 H104 I4 N4 Ni4 P8 -","4","1","","Grüger, Nora; Wadepohl, Hubert; Gade, Lutz H.","A readily accessible PNP pincer ligand with a pyrrole backbone and its Ni(I/II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14028","14030","10.1039/c2dt32199h","","x-ray","0.71073","MoKα","","0.0515","0.0329","","","0.0691","0.0808","","","","","","1.059","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020604","13.4842","0.0002","14.87293","0.00018","16.2602","0.0003","65.4639","0.0013","81.9493","0.0013","72.1302","0.0012","2823.09","0.08","114.96","0.16","114.96","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H63.5 N2 Ni2 P4 -","- C70.5 H63.5 N2 Ni2 P4 -","- C141 H127 N4 Ni4 P8 -","2","1","","Grüger, Nora; Wadepohl, Hubert; Gade, Lutz H.","A readily accessible PNP pincer ligand with a pyrrole backbone and its Ni(I/II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14028","14030","10.1039/c2dt32199h","","x-ray","0.7107","MoKα","","0.0307","0.026","","","0.0652","0.0679","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020605","21.746","0.005","14.338","0.003","23.216","0.005","90","","90","","90","","7239","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Dy2 N3 O14 -","- C27 H25 Dy2 N3 O14 -","- C216 H200 Dy16 N24 O112 -","8","1","","Jin, Hong-Guang; Hong, Xu-Jia; Li, Jing; Yan, Yuan-Zhao; Liu, Yi-Ting; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-dependent assemblies from a 2-D triple-stranded meso-helical layer to a 3-D chain-layer metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14239","14243","10.1039/c2dt32234j","","","0.71073","MoKα","","0.1153","0.0649","","","0.1572","0.174","","","","","","1.023","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020606","10.5222","0.0014","14.6134","0.0019","39.044","0.005","90","","92.677","0.002","90","","5997.1","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 Dy2 N3 O16 -","- C27 H29 Dy2 N3 O16 -","- C216 H232 Dy16 N24 O128 -","8","1","","Jin, Hong-Guang; Hong, Xu-Jia; Li, Jing; Yan, Yuan-Zhao; Liu, Yi-Ting; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-dependent assemblies from a 2-D triple-stranded meso-helical layer to a 3-D chain-layer metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14239","14243","10.1039/c2dt32234j","","","0.71073","MoKα","","0.0816","0.0444","","","0.0705","0.0841","","","","","","0.978","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020607","13.2746","0.0002","13.2746","0.0002","37.1754","0.0005","90","","90","","120","","5673.21","0.14","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C36 H24 Cr2 N6 O15 -","- C36 H24 Cr2 N6 O15 -","- C216 H144 Cr12 N36 O90 -","6","0.5","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","","1.5418","CuKα","","","0.048","","","","0.146","","","","","","1.063","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020608","13.7894","0.0002","13.7894","0.0002","36.2999","0.0007","90","","90","","120","","5977.6","0.17","293","2","293","3","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C42 H30 Cr2 N6 O15 -","- C42 H30 Cr2 N6 O15 -","- C252 H180 Cr12 N36 O90 -","6","0.5","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","x-ray","1.54179","CuKα","","","0.0349","","","","0.1017","","","","","","1.038","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020609","10.5565","0.0001","17.177","0.0003","14.8525","0.0002","90","","99.272","0.001","90","","2658","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cr N5 O13 -","- C23 H25 Cr N5 O13 -","- C92 H100 Cr4 N20 O52 -","4","1","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","x-ray","1.54179","CuKα","","","0.0566","","","","0.193","","","","","","1.166","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020610","15.856","0.005","14.353","0.005","13.141","0.005","90","","106.517","0.005","90","","2867.2","1.7","293","2","293","2","","","","","","","synthesized by the authors, see text","5","C 1 c 1","C -2yc","9","","bis(1,10-phenanthroline-N,N')(oxalato-O,O')chromium(III) nitrate oxalic acid monohydrate","","- C28 H20 Cr N5 O12 -","- C28 H20 Cr N5 O12 -","- C112 H80 Cr4 N20 O48 -","4","1","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","x-ray","1.54179","CuKα","","0.0372","0.0355","","","0.1011","0.1032","","","","","","1.089","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020611","18.662","0.005","18.923","0.005","7.637","0.005","90","","96.76","0.005","90","","2678","2","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 1 21/c 1","-P 2ybc","14","","1,10-phenanthrolinium (1,10-phenanthroline-N,N')bis(oxalato-O,O')chromium(III) dihydrate","","- C28 H21 Cr N4 O10 -","- C28 H21 Cr N4 O10 -","- C112 H84 Cr4 N16 O40 -","4","1","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","x-ray","1.54179","CuKα","","0.0388","0.0338","","","0.0946","0.0984","","","","","","1.02","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020612","8.9224","0.0003","9.9414","0.0003","19.3344","0.0006","87.969","0.002","83.228","0.003","72.6","0.003","1625.09","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ca Cr2 N4 O16.83 -","- C28 H16 Ca Cr2 N4 O16.829 -","- C56 H32 Ca2 Cr4 N8 O33.658 -","2","1","","Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica","Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14611","14624","10.1039/c2dt32249h","","x-ray","1.54179","CuKα","","","0.0501","","","","0.1598","","","","","","1.05","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7029899","12.8902","0.0007","10.9298","0.0005","13.7766","0.0007","90","","109.186","0.001","90","","1833.14","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H52 Cl N4 O5 Re -","- C38 H52 Cl N4 O5 Re -","- C76 H104 Cl2 N8 O10 Re2 -","2","1","","Bullock, Sam; Hallett, Andrew J.; Harding, Lindsay P.; Higginson, Joshua J.; Piela, Sean A. F.; Pope, Simon J. A.; Rice, Craig R.","Luminescent rhenium fac-tricarbonyl-containing complexes of androgenic oxo-steroids.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14690","14696","10.1039/c2dt31476b","","","0.71073","MoKα","","0.0552","0.0356","","","0.063","0.0692","","","","","","0.918","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029900","18.865","0.002","18.865","0.002","18.865","0.002","117.22","0.017","117.22","0.017","117.22","0.017","2856","5","153","2","153","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C69 H60 N3 O9 Tb -","- C69 H60 N3 O9 Tb -","- C138 H120 N6 O18 Tb2 -","2","0.333333","","Raphael, Shyni; Reddy, M. L. P.; Vasudevan, Kalyan V.; Cowley, Alan H.","Synthesis, crystal structure and photophysical properties of lanthanide coordination polymers of 4-[4-(9H-carbazol-9-yl)butoxy]benzoate: the effect of bidentate nitrogen donors on luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14671","14682","10.1039/c2dt31827j","","","0.71073","MoKα","","0.0951","0.0431","","","0.0673","0.0796","","","","","","1.055","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029901","10.143","0.004","11.404","0.004","14.197","0.006","104.95","0.04","107.92","0.03","104.48","0.04","1409.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H62 Ag4 N10 O20 -","- C48 H62 Ag4 N10 O20 -","- C48 H62 Ag4 N10 O20 -","1","0.5","","Li, Ting; Huang, Xi-He; Zhao, Ya-Feng; Li, Hao-Hong; Wu, Shu-Ting; Huang, Chang-Cang","An unusual double T5(2) water tape trapped in silver(I) coordination polymer hosts: influence of the solvent on the assembly of Ag(I)-4,4'-bipyridine chains with trans-cyclohexanedicarboxylate and their luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12872","12881","10.1039/c2dt31847d","","","0.71073","MoKα","","0.0448","0.0421","","","0.0942","0.0959","","","","","","1.05","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029902","6.8206","0.0014","22.83","0.005","25.065","0.005","90","","95.38","0.03","90","","3885.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 Ag2 N4 O18 -","- C28 H54 Ag2 N4 O18 -","- C112 H216 Ag8 N16 O72 -","4","1","","Li, Ting; Huang, Xi-He; Zhao, Ya-Feng; Li, Hao-Hong; Wu, Shu-Ting; Huang, Chang-Cang","An unusual double T5(2) water tape trapped in silver(I) coordination polymer hosts: influence of the solvent on the assembly of Ag(I)-4,4'-bipyridine chains with trans-cyclohexanedicarboxylate and their luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12872","12881","10.1039/c2dt31847d","","","0.71073","MoKα","","0.0464","0.0446","","","0.0931","0.094","","","","","","1.071","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029903","8.7488","0.0017","9.867","0.002","11.657","0.002","102.01","0.03","93.04","0.03","104.1","0.03","948.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 Ag2 N4 O12 -","- C34 H44 Ag2 N4 O12 -","- C34 H44 Ag2 N4 O12 -","1","0.5","","Li, Ting; Huang, Xi-He; Zhao, Ya-Feng; Li, Hao-Hong; Wu, Shu-Ting; Huang, Chang-Cang","An unusual double T5(2) water tape trapped in silver(I) coordination polymer hosts: influence of the solvent on the assembly of Ag(I)-4,4'-bipyridine chains with trans-cyclohexanedicarboxylate and their luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12872","12881","10.1039/c2dt31847d","","","0.71073","MoKα","","0.0435","0.0406","","","0.0881","0.0903","","","","","","1.031","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029904","8.1893","0.0016","10.168","0.002","11.644","0.002","114.55","0.03","90.57","0.03","103.62","0.03","850.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Ag2 N4 O8 -","- C36 H38 Ag2 N4 O8 -","- C36 H38 Ag2 N4 O8 -","1","0.5","","Li, Ting; Huang, Xi-He; Zhao, Ya-Feng; Li, Hao-Hong; Wu, Shu-Ting; Huang, Chang-Cang","An unusual double T5(2) water tape trapped in silver(I) coordination polymer hosts: influence of the solvent on the assembly of Ag(I)-4,4'-bipyridine chains with trans-cyclohexanedicarboxylate and their luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12872","12881","10.1039/c2dt31847d","","","0.71073","MoKα","","0.0421","0.0378","","","0.0862","0.0899","","","","","","1.079","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029905","27.329","0.004","14.0485","0.0018","20.865","0.003","90","0.008","126.997","0.006","90","0.008","6397.9","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H67 Eu2 N11 O30 -","- C49 H67 Eu2 N11 O30 -","- C196 H268 Eu8 N44 O120 -","4","0.5","","Wang, Jianwei; Wu, Jiang; Chen, Yanmei; Wang, Haiping; Li, Yiran; Liu, Weisheng; Tian, Hao; Zhang, Ting; Xu, Jun; Tang, Yu","A small-molecular europium complex with anion sensing sensitivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12936","12941","10.1039/c2dt31607b","","","0.71073","MoKα","","0.1182","0.0749","","","0.1938","0.2466","","","","","","1.08","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029906","12.198","0.005","14.103","0.005","16.253","0.005","92.955","0.005","109.28","0.005","100.481","0.005","2576.3","1.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H46 Cl2 Fe Mo O5 P2 S4 -","- C54 H46 Cl2 Fe Mo O5 P2 S4 -","- C108 H92 Cl4 Fe2 Mo2 O10 P4 S8 -","2","1","","Moula, Golam; Bose, Moumita; Maiti, Biplab K.; Sarkar, Sabyasachi","Oxomolybdenum monodithiolene complexes linked with sulfur bridged iron: antiferromagnetically coupled Fe(III)Mo(V) systems.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12926","12935","10.1039/c2dt31743e","","x-ray","0.71069","MoKα","","0.128","0.081","","","0.202","0.2491","","","","","","1.167","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029907","11","0.005","20.675","0.005","22.984","0.005","90","0.005","99.197","0.005","90","0.005","5160","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H46 Cl2 Fe Mo O P2 S4 -","- C55 H46 Cl2 Fe Mo O P2 S4 -","- C220 H184 Cl8 Fe4 Mo4 O4 P8 S16 -","4","1","","Moula, Golam; Bose, Moumita; Maiti, Biplab K.; Sarkar, Sabyasachi","Oxomolybdenum monodithiolene complexes linked with sulfur bridged iron: antiferromagnetically coupled Fe(III)Mo(V) systems.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12926","12935","10.1039/c2dt31743e","","","0.71069","MoKα","","0.1434","0.0754","","","0.145","0.1906","","","","","","1.062","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029908","27.668","0.005","15.146","0.005","16.24","0.005","90","0.005","105.91","0.005","90","0.005","6545","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H56 Fe Mo N O2 P2 S6 -","- C73 H56 Fe Mo N O2 P2 S6 -","- C292 H224 Fe4 Mo4 N4 O8 P8 S24 -","4","1","","Moula, Golam; Bose, Moumita; Maiti, Biplab K.; Sarkar, Sabyasachi","Oxomolybdenum monodithiolene complexes linked with sulfur bridged iron: antiferromagnetically coupled Fe(III)Mo(V) systems.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12926","12935","10.1039/c2dt31743e","","","0.71069","MoKα","","0.1324","0.089","","","0.1845","0.2047","","","","","","1.096","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029909","13.0158","0.0002","9.8575","0.0002","20.8946","0.0005","90","","90","","90","","2680.85","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Br2 N8 Ni -","- C26 H32 Br2 N8 Ni -","- C104 H128 Br8 N32 Ni4 -","4","0.5","","Schweinfurth, David; Su, Cheng-Yong; Wei, Shi-Chao; Braunstein, Pierre; Sarkar, Biprajit","Nickel complexes with ""click""-derived pyridyl-triazole ligands: weak intermolecular interactions and catalytic ethylene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12984","12990","10.1039/c2dt31805a","","","1.54178","CuKα","","0.0269","0.0238","","","0.0591","0.0616","","","","","","1.018","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7029910","17.7848","0.0012","16.0795","0.0011","22.8877","0.0015","90","","91.641","0.001","90","","6542.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C112 H102 Cl6 Co10 F2 N6 O35 P2 -","- C112 H102 Cl6 Co10 F2 N6 O35 P2 -","- C224 H204 Cl12 Co20 F4 N12 O70 P4 -","2","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0842","0.0509","","","0.1283","0.1434","","","","","","1.049","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029911","16.9612","0.0013","17.9251","0.0014","24.7045","0.0019","86.857","0.001","86.809","0.001","63.246","0.001","6692.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H85 Cl14 Co10 N10 O31 P -","- C112 H85 Cl14 Co10 N10 O31 P -","- C224 H170 Cl28 Co20 N20 O62 P2 -","2","1","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0539","0.0425","","","0.1182","0.1221","","","","","","0.985","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029912","14.913","0.005","15.16","0.005","16.613","0.006","68.916","0.006","67.12","0.006","65.714","0.006","3063.6","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H94 Cl14 Co10 N12 O30 P2 -","- C93 H86 Cl14 Co10 N12 O30 P2 -","- C93 H86 Cl14 Co10 N12 O30 P2 -","1","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0763","0.0569","","","0.1536","0.163","","","","","","0.967","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029913","51.143","0.004","20.7062","0.0015","24.1717","0.0018","90","","111.624","0.001","90","","23796","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C106 H92 Cl6 Co10 F2 N14 O28 P2 -","- C106 H92 Cl6 Co10 F2 N14 O28 P2 -","- C848 H736 Cl48 Co80 F16 N112 O224 P16 -","8","1","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0976","0.059","","","0.1438","0.1654","","","","","","0.95","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029914","14.739","0.001","23.0294","0.0016","16.3613","0.0011","90","","90.737","0.001","90","","5553.1","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C90 H120 Cl6 Co10 F2 N6 O32 P2 -","- C90 H120 Cl6 Co10 F2 N6 O32 P2 -","- C180 H240 Cl12 Co20 F4 N12 O64 P4 -","2","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0529","0.0378","","","0.0888","0.0949","","","","","","1.026","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029915","15.4417","0.0013","17.0992","0.0015","17.1564","0.0014","93.084","0.002","108.306","0.001","106.735","0.001","4066.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C130.72 H131.49 Cl27.54 Co10 N13.54 O34 P2 -","- C130.71 H124.626 Cl27.542 Co10 N13.542 O34 P2 -","- C130.71 H124.626 Cl27.542 Co10 N13.542 O34 P2 -","1","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0936","0.0661","","","0.1773","0.192","","","","","","0.994","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029916","17.1315","0.0015","19.9492","0.0017","18.2948","0.0016","90","","91.99","0.001","90","","6248.7","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C114 H110 Cl6 Co10 F2 N12 O28 P2 -","- C114 H110 Cl6 Co10 F2 N12 O28 P2 -","- C228 H220 Cl12 Co20 F4 N24 O56 P4 -","2","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0431","0.0299","","","0.0734","0.0813","","","","","","1.054","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029917","21.0264","0.0018","21.4254","0.0019","23.533","0.002","90","","98.723","0.002","90","","10479","1.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H107.5 Cl9 Co9 N9.5 O26.5 P -","- C86 H107.5 Cl9 Co9 N9.5 O26.5 P -","- C344 H430 Cl36 Co36 N38 O106 P4 -","4","1","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0563","0.037","","","0.084","0.0923","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029918","26.658","0.002","14.8387","0.0012","30.077","0.003","90","","99.522","0.001","90","","11733.6","1.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C90 H123 Cl6 Co10 F2 N15 O28 P2 -","- C89.94 H122.82 Cl6 Co10 F2 N15 O28 P2 -","- C359.76 H491.28 Cl24 Co40 F8 N60 O112 P8 -","4","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0525","0.0377","","","0.089","0.0959","","","","","","1.022","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029919","15.5669","0.0009","16.7117","0.0009","17.0637","0.001","94.487","0.001","113.392","0.001","108.786","0.001","3747.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C138 H134 Cl8 Co10 F2 N18 O31 P2 -","- C138 H134 Cl8 Co10 F2 N18 O31 P2 -","- C138 H134 Cl8 Co10 F2 N18 O31 P2 -","1","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0564","0.0403","","","0.0962","0.1038","","","","","","1.014","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029920","19.4694","0.0019","19.6408","0.0019","27.674","0.003","104.148","0.002","99.208","0.002","100.44","0.002","9857.2","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H158 Cl7 Co9 N8 O35 P3 -","- C164 H132 Cl7 Co9 N8 O35 P3 -","- C328 H264 Cl14 Co18 N16 O70 P6 -","2","1","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.2167","0.0949","","","0.2665","0.3125","","","","","","0.899","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029921","14.5297","0.0008","16.7375","0.0009","17.0131","0.0009","100.505","0.001","99.956","0.001","99.425","0.001","3924.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H134 Cl12 Co10 N12 O42 P2 -","- C144 H130 Cl12 Co10 N12 O42 P2 -","- C144 H130 Cl12 Co10 N12 O42 P2 -","1","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0636","0.0491","","","0.1228","0.1306","","","","","","1.054","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029922","17.4318","0.0006","25.264","0.0009","24.2173","0.0008","90","","90","","90","","10665.2","0.6","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C91 H85 Cl9 Co6 F N10 O19 P -","- C91 H79 Cl9 Co6 F N10 O18.99 P -","- C364 H316 Cl36 Co24 F4 N40 O75.96 P4 -","4","1","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0512","0.0406","","","0.0946","0.0997","","","","","","1.037","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029923","14.345","0.002","14.833","0.002","15.489","0.003","73.574","0.002","89.632","0.002","72.328","0.002","3000.7","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H86 Cl12 Co10 N12 O30 P2 -","- C114 H78 Cl12 Co10 N12 O30 P2 -","- C114 H78 Cl12 Co10 N12 O30 P2 -","1","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0915","0.0577","","","0.1583","0.1768","","","","","","1.159","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029924","20.433","0.004","21.915","0.004","27.106","0.005","90","","90","","90","","12138","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C103 H86 Cl12 Co10 N12 O31 P2 -","- C103 H78 Cl12 Co10 N12 O31 P2 -","- C412 H312 Cl48 Co40 N48 O124 P8 -","4","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.6902","synchrotron","","0.0443","0.0351","","","0.1087","0.1191","","","","","","1.064","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029925","10.7151","0.0007","21.9112","0.0013","17.3089","0.001","90","","104.661","0.002","90","","3931.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H58 B10 N2 O -","- C33 H58 B10 N2 O -","- C132 H232 B40 N8 O4 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1025","0.0607","","","0.1544","0.1887","","","","","","1.094","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029926","10.286","0.004","18.148","0.006","21.421","0.008","90","","90.323","0.007","90","","3999","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 B10 N2 -","- C30 H50 B10 N2 -","- C120 H200 B40 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1601","0.0674","","","0.1782","0.2108","","","","","","0.91","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029927","19.542","0.004","16.44","0.003","10.733","0.002","90","","90","","90","","3448.2","1.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H47 B10 Cl N2 -","- C29 H47 B10 Cl N2 -","- C116 H188 B40 Cl4 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1677","0.0688","","","0.1638","0.2267","","","","","","1.003","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029928","19.6046","0.0013","16.427","0.001","10.7516","0.0007","90","","90","","90","","3462.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H47 B10 Br N2 -","- C29 H47 B10 Br N2 -","- C116 H188 B40 Br4 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.0777","0.0485","","","0.1244","0.1441","","","","","","1.018","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029929","19.8259","0.0009","16.3334","0.0006","10.7837","0.0004","90","","90","","90","","3492","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H47 B10 I N2 -","- C29 H47 B10 I N2 -","- C116 H188 B40 I4 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.0497","0.0381","","","0.0979","0.1062","","","","","","1.086","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029930","21.29","0.03","17.2","0.02","10.674","0.015","90","","90","","90","","3909","9","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C35 H52 B10 N2 -","- C35 H52 B10 N2 -","- C140 H208 B40 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1151","0.0668","","","0.1724","0.2112","","","","","","1.045","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029931","18.2026","0.001","12.9296","0.0007","15.5215","0.0008","90","","98.656","0.001","90","","3611.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H47 B10 I N2 -","- C29 H47 B10 I N2 -","- C116 H188 B40 I4 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.066","0.0522","","","0.1574","0.2","","","","","","0.974","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029932","10.7261","0.0009","18.1929","0.0015","20.3465","0.0018","90","","90","","90","","3970.4","0.6","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C32 H52 B10 N2 -","- C32 H52 B10 N2 -","- C128 H208 B40 N8 -","4","0.5","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1161","0.0664","","","0.175","0.1982","","","","","","1.002","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029933","11.2685","0.0007","16.9203","0.001","19.2291","0.0012","90","","105.086","0.001","90","","3540","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 B10 N2 -","- C33 H52 B10 N2 -","- C132 H208 B40 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1068","0.0594","","","0.1456","0.1754","","","","","","1.019","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029934","18.1644","0.0019","19.478","0.002","22.21","0.002","90","","90","","90","","7858","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H54 B10 N2 -","- C37 H54 B10 N2 -","- C296 H432 B80 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1942","0.0635","","","0.1305","0.1905","","","","","","1.039","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029935","5.9682","0.0002","8.8714","0.0005","11.9058","0.0006","90","","103.931","0.003","90","","611.83","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl4 N2 Pt -","- C6 H10 Cl4 N2 Pt -","- C12 H20 Cl8 N4 Pt2 -","2","0.5","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.0294","0.0221","","","0.0521","0.0559","","","","","","1.097","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029936","9.6189","0.0002","8.7091","0.0002","11.1019","0.0003","90","","114.029","0.002","90","","849.43","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl4 N4 O4 Pt -","- C12 H12 Cl4 N4 O4 Pt -","- C24 H24 Cl8 N8 O8 Pt2 -","2","0.5","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.025","0.0162","","","0.0345","0.0372","","","","","","1.038","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029937","5.8898","0.0002","18.3306","0.0007","8.9748","0.0003","90","","98.354","0.001","90","","958.67","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl4 N4 O6 Pt -","- C12 H16 Cl4 N4 O6 Pt -","- C24 H32 Cl8 N8 O12 Pt2 -","2","0.5","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.0325","0.0267","","","0.0543","0.0556","","","","","","1.294","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029938","15.0633","0.0008","8.5041","0.0004","14.867","0.0005","90","","104.787","0.003","90","","1841.39","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl4 N4 O2 Pt -","- C12 H15 Cl4 N4 O2 Pt -","- C48 H60 Cl16 N16 O8 Pt4 -","4","1","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.0634","0.0445","","","0.1015","0.1121","","","","","","1.134","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029939","6.5977","0.0001","7.9991","0.0002","11.9255","0.0002","73.952","0.001","82.157","0.001","75.826","0.001","584.84","0.02","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl4 N6 O4 Pt -","- C18 H22 Cl4 N6 O4 Pt -","- C18 H22 Cl4 N6 O4 Pt -","1","0.5","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MOKα","","0.0213","0.0206","","","0.0408","0.0411","","","","","","1.034","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029940","7.8439","0.0003","7.8439","0.0003","25.448","0.0007","90","","90","","120","","1355.96","0.08","120","2","120","2","","","","","","","","6","P 32","P 32","145","","","","- C12 H16 Cl4 N4 O2 Pt -","- C12 H16 Cl4 N4 O2 Pt -","- C36 H48 Cl12 N12 O6 Pt3 -","3","1","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.0244","0.023","","","0.0506","0.0513","","","","","","1.05","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029941","15.9646","0.0007","11.9025","0.0005","13.2546","0.0006","90","","93.498","0.001","90","","2513.93","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl3 N6 O5 Pt -","- C18 H22 Cl3 N6 O5 Pt -","- C72 H88 Cl12 N24 O20 Pt4 -","4","1","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.0428","0.0319","","","0.073","0.077","","","","","","1.067","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029942","6.7248","0.0007","8.057","0.0005","16.8733","0.0013","79.899","0.006","81.282","0.007","72.243","0.006","852.47","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H17 Cl4 N3 O5 Pt -","- C9 H17 Cl4 N3 O5 Pt -","- C18 H34 Cl8 N6 O10 Pt2 -","2","1","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.0393","0.0274","","","0.0472","0.0497","","","","","","1.049","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029943","6.5985","0.0001","7.9574","0.0001","19.0913","0.0004","87.058","0.001","86.218","0.001","74.511","0.001","963.32","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 Cl4 N4 O3 Pt -","- C13 H20 Cl4 N4 O3 Pt -","- C26 H40 Cl8 N8 O6 Pt2 -","2","1","","Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu","Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12857","12864","10.1039/c2dt30986f","","","0.71073","MoKα","","0.0465","0.0349","","","0.0603","0.0631","","","","","","1.081","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029944","9.6213","0.0013","13.3205","0.0017","15.933","0.002","90","","90","","90","","2042","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Bi N8 O9 S -","- C13 H13 Bi N8 O9 S -","- C52 H52 Bi4 N32 O36 S4 -","4","1","","Li, Mingxue; Lu, Yanli; Yang, Min; Li, Yanke; Zhang, Lizhi; Xie, Songqiang","One dodecahedral bismuth(III) complex derived from 2-acetylpyridine N(4)-pyridylthiosemicarbazone: synthesis, crystal structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12882","12887","10.1039/c2dt31256e","","","0.71073","MoKα","","0.0561","0.0406","","","0.0706","0.0722","","","","","","0.937","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029945","9.598","0.0018","11.661","0.002","18.367","0.003","83.93","0.002","75.313","0.002","86.15","0.002","1975.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H37 F9 Nb3 O6 -","- C39 H37 F9 Nb3 O6 -","- C78 H74 F18 Nb6 O12 -","2","1","","Bortoluzzi, Marco; Guazzelli, Nicola; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Convenient synthesis of fluoride-alkoxides of Nb(V) and Ta(V): a spectroscopic, crystallographic and computational study.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12898","12906","10.1039/c2dt31453c","","","0.71073","MoKα","","0.1495","0.0585","","","0.1219","0.155","","","","","","0.977","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029946","9.94","0.004","10.003","0.004","12.384","0.005","68.033","0.004","86.135","0.004","68.477","0.004","1058.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 F2 O8 Ta2 -","- C48 H40 F2 O8 Ta2 -","- C48 H40 F2 O8 Ta2 -","1","0.5","","Bortoluzzi, Marco; Guazzelli, Nicola; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Convenient synthesis of fluoride-alkoxides of Nb(V) and Ta(V): a spectroscopic, crystallographic and computational study.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12898","12906","10.1039/c2dt31453c","","","0.71073","MoKα","","0.0703","0.0536","","","0.1257","0.1354","","","","","","1.011","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029947","7.8225","0.0006","12.4161","0.001","17.4883","0.0015","90","","93.384","0.005","90","","1695.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Co N6 O6 S -","- C12 H18 Co N6 O6 S -","- C48 H72 Co4 N24 O24 S4 -","4","1","","Silva, Telma F. S.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Fernandes, Alexandra R.; Silva, Ana; Borralho, Pedro M.; Santos, Susana; Rodrigues, Cecília M P; Pombeiro, Armando J. L.","Cobalt complexes bearing scorpionate ligands: synthesis, characterization, cytotoxicity and DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12888","12897","10.1039/c2dt11577h","","","0.71069","MoKα","","0.0635","0.0545","","","0.1414","0.1513","","","","","","1.033","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029948","11.59","0.003","11.736","0.002","13.908","0.005","108.336","0.013","105.474","0.013","102.185","0.009","1638.2","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H72 Cl6 Co3 N24 O16 -","- C44 H72 Cl6 Co3 N24 O16 -","- C44 H72 Cl6 Co3 N24 O16 -","1","0.5","","Silva, Telma F. S.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Fernandes, Alexandra R.; Silva, Ana; Borralho, Pedro M.; Santos, Susana; Rodrigues, Cecília M P; Pombeiro, Armando J. L.","Cobalt complexes bearing scorpionate ligands: synthesis, characterization, cytotoxicity and DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12888","12897","10.1039/c2dt11577h","","","0.71073","MoKα","","0.0782","0.0541","","","0.1466","0.1614","","","","","","1.038","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029949","5.447","0.002","23.764","0.011","20.26","0.009","90","","91.882","0.011","90","","2621.1","1.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H23 Cl4 N3 O26 Th -","- C6 H23 Cl4 N3 O26 Th -","- C24 H92 Cl16 N12 O104 Th4 -","4","1","","Hennig, Christoph; Takao, Shinobu; Takao, Koichiro; Weiss, Stephan; Kraus, Werner; Emmerling, Franziska; Scheinost, Andreas C.","Structure and stability range of a hexanuclear Th(IV)-glycine complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12818","12823","10.1039/c2dt31367g","","","0.71073","MoKα","","0.0671","0.0457","","","0.1119","0.1245","","","","","","0.926","","","","has coordinates","189310","2020-10-21","18:00:00",""
"7029950","27.424","0.005","16.084","0.002","23.826","0.004","90","","123.258","0.008","90","","8788","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 Cl3 N15 O62 Th6 -","- C24 H76 Cl3 N15 O62 Th6 -","- C96 H304 Cl12 N60 O248 Th24 -","4","0.5","","Hennig, Christoph; Takao, Shinobu; Takao, Koichiro; Weiss, Stephan; Kraus, Werner; Emmerling, Franziska; Scheinost, Andreas C.","Structure and stability range of a hexanuclear Th(IV)-glycine complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12818","12823","10.1039/c2dt31367g","","","0.71073","MoKα","","0.1535","0.0591","","","0.1161","0.1365","","","","","","0.82","","","","has coordinates,has disorder","189310","2020-10-21","18:00:00",""
"7029951","8.9301","0.0002","10.8793","0.0002","23.2605","0.0004","90","","90","","90","","2259.83","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 I2 N4 O2 -","- C18 H28 I2 N4 O2 -","- C72 H112 I8 N16 O8 -","4","1","","Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12839","12846","10.1039/c2dt31740k","","","0.71073","MoKα","","0.0374","0.0313","","","0.0689","0.0723","","","","","","1.045","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029952","15.032","0.012","15.651","0.013","6.587","0.005","90","","90","","90","","1550","2","120","2","120","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C19 H32 Cl6 N4 O4 Pt2 S2 -","- C19 H32 Cl6 N4 O4 Pt2 S2 -","- C38 H64 Cl12 N8 O8 Pt4 S4 -","2","0.5","","Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12839","12846","10.1039/c2dt31740k","","","0.6889","synchrotron","","0.1186","0.0797","","","0.1932","0.2144","","","","","","1.063","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029953","19.248","0.006","19.248","0.006","23.08","0.014","90","","90","","90","","8551","6","120","2","120","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C22 H38 Cl4 N4 O4 Pt2 S2 -","- C22 H38 Cl4 N4 O4 Pt2 S2 -","- C176 H304 Cl32 N32 O32 Pt16 S16 -","8","1","","Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12839","12846","10.1039/c2dt31740k","","","0.6889","synchrotron","","0.0694","0.053","","","0.1377","0.1457","","","","","","0.982","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029954","18.6782","0.001","21.8337","0.0011","31.2152","0.0017","82.78","0.002","78.08","0.003","77.748","0.003","12127.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C237 H303 B3 Mn7 N21 O18 -","- C217.5 H255 B3 Mn7 N18.5 O12.5 -","- C435 H510 B6 Mn14 N37 O25 -","2","1","","Hoeke, Veronika; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Structural influences on the exchange coupling and zero-field splitting in the single-molecule magnet [Mn(III)6Mn(III)]3+.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12942","12959","10.1039/c2dt31590d","","","0.71073","MoKα","","0.0677","0.0576","","","0.1426","0.1482","","","","","","1.043","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029955","45.0354","0.0012","45.0354","0.0012","45.0354","0.0012","90","","90","","90","","91340","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C164 H271 Mn7 N18 O42 -","- C150 H210 Mn7 N18 O18 -","- C2400 H3360 Mn112 N288 O288 -","16","0.166667","","Hoeke, Veronika; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Structural influences on the exchange coupling and zero-field splitting in the single-molecule magnet [Mn(III)6Mn(III)]3+.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12942","12959","10.1039/c2dt31590d","","","0.71073","MoKα","","0.0878","0.0742","","","0.218","0.2364","","","","","","1.06","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029956","18.9427","0.0007","20.2052","0.0007","29.9825","0.001","96.317","0.001","92.535","0.001","105.784","0.001","10942.7","0.7","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C450 H576 B6 Mn14 N36 O42 -","- C450 H536 B6 Mn14 N36 O42 -","- C450 H536 B6 Mn14 N36 O42 -","1","0.5","","Hoeke, Veronika; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Structural influences on the exchange coupling and zero-field splitting in the single-molecule magnet [Mn(III)6Mn(III)]3+.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12942","12959","10.1039/c2dt31590d","","","0.71073","MoKα","","0.0682","0.0431","","","0.1078","0.1248","","","","","","1.035","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029957","18.5754","0.0009","25.7886","0.0013","19.4912","0.0009","90","","93.514","0.001","90","","9319.4","0.8","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C159 H252 B3 F12 Mn7 N18 O27 -","- C159 H216 B3 F12 Mn7 N18 O27 -","- C318 H432 B6 F24 Mn14 N36 O54 -","2","0.5","","Hoeke, Veronika; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Structural influences on the exchange coupling and zero-field splitting in the single-molecule magnet [Mn(III)6Mn(III)]3+.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12942","12959","10.1039/c2dt31590d","","","0.71073","MoKα","","0.0861","0.0607","","","0.1639","0.1869","","","","","","1.063","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029958","18.6555","0.0011","25.7955","0.0015","19.6427","0.0011","90","","93.878","0.001","90","","9431","0.9","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C163 H263 F12 Mn7 N18 O31 P2 -","- C163 H216 F12 Mn7 N18 O31 P2 -","- C326 H432 F24 Mn14 N36 O62 P4 -","2","0.5","","Hoeke, Veronika; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Structural influences on the exchange coupling and zero-field splitting in the single-molecule magnet [Mn(III)6Mn(III)]3+.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12942","12959","10.1039/c2dt31590d","","","0.71073","MoKα","","0.073","0.0489","","","0.1253","0.1461","","","","","","1.043","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029959","22.2844","0.0006","9.7964","0.0003","17.6695","0.0005","90","","109.533","0.001","90","","3635.38","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H29 Cl2 N5 Ni O -","- C46 H29 Cl2 N5 Ni O -","- C184 H116 Cl8 N20 Ni4 O4 -","4","1","","Lachaud, Fabien; Jeandon, Christophe; Monari, Antonio; Assfeld, Xavier; Beley, Marc; Ruppert, Romain; Gros, Philippe C.","New dyads using (metallo)porphyrins as ancillary ligands in polypyridine ruthenium complexes. Synthesis and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12865","12871","10.1039/c2dt31656k","","","0.71073","MoKα","","0.0676","0.0468","","","0.1235","0.1351","","","","","","1.021","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029960","10.9296","0.0009","14.1639","0.0012","5.8808","0.0005","90","","90","","90","","910.38","0.13","173","2","173","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ba2 Ge4 Pd5 -","- Ba2 Ge4 Pd5 -","- Ba8 Ge16 Pd20 -","4","","","Saparov, Bayrammurad; Parker, David S.; Sefat, Athena S.","Crystal and electronic structures of metallic Ba2Pd5Ge4.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12920","12925","10.1039/c2dt31744c","","","0.71073","MoKα","","0.0148","0.0144","","","0.0322","0.0325","","","","","","1.212","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029961","7.961","0.0003","9.8975","0.0005","13.6347","0.0005","90","","92.558","0.004","90","","1073.26","0.08","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H21 F12 N7 P2 Pd -","- C11 H21 F12 N7 P2 Pd -","- C22 H42 F24 N14 P4 Pd2 -","2","0.5","","Chen, Chao; Chen, Wanzhi; Qiu, Huayu","Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13405","13412","10.1039/c2dt31739g","","","0.71073","MoKα","","0.0294","0.0239","","","0.0504","0.0534","","","","","","1.076","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029962","17.8254","0.0003","19.0418","0.0003","28.6028","0.0005","96.653","0.002","98.4","0.002","109.012","0.002","8940.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57.5 F24 N18 P4 Pd2 -","- C58 H58 F24 N18 P4 Pd2 -","- C232 H232 F96 N72 P16 Pd8 -","4","2","","Chen, Chao; Chen, Wanzhi; Qiu, Huayu","Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13405","13412","10.1039/c2dt31739g","","","0.71073","MoKα","","0.1658","0.1319","","","0.4032","0.4467","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029963","15.747","0.0004","15.2248","0.0005","17.4931","0.0005","90","","90","","90","","4193.9","0.2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H35 F12 N11 P2 Pd2 S2 -","- C30 H35 F12 N11 P2 Pd2 S2 -","- C120 H140 F48 N44 P8 Pd8 S8 -","4","1","","Chen, Chao; Chen, Wanzhi; Qiu, Huayu","Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13405","13412","10.1039/c2dt31739g","","","0.71073","MoKα","","0.0565","0.0338","","","0.0713","0.0765","","","","","","0.99","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029964","14.8227","0.0004","20.3413","0.0005","15.2998","0.0005","90","","112.113","0.004","90","","4273.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 F12 N12 P2 Pd2 -","- C32 H46 F12 N12 P2 Pd2 -","- C128 H184 F48 N48 P8 Pd8 -","4","1","","Chen, Chao; Chen, Wanzhi; Qiu, Huayu","Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13405","13412","10.1039/c2dt31739g","","","0.71073","MoKα","","0.0602","0.0448","","","0.1154","0.1286","","","","","","1.044","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029965","7.9986","0.0005","10.166","0.0007","11.0073","0.0007","62.877","0.007","76.974","0.006","89.553","0.005","771.45","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 F12 N8 P2 Pd -","- C22 H32 F12 N8 P2 Pd -","- C22 H32 F12 N8 P2 Pd -","1","0.5","","Chen, Chao; Chen, Wanzhi; Qiu, Huayu","Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13405","13412","10.1039/c2dt31739g","","","0.71073","MoKα","","0.0411","0.0378","","","0.0911","0.094","","","","","","1.089","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029966","9.413","0.0005","11.0655","0.0005","13.8876","0.0006","87.178","0.004","83.506","0.004","72.214","0.004","1368.39","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H27 F12 N9 P2 Pd -","- C15 H27 F12 N9 P2 Pd -","- C30 H54 F24 N18 P4 Pd2 -","2","1","","Chen, Chao; Chen, Wanzhi; Qiu, Huayu","Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13405","13412","10.1039/c2dt31739g","","","0.71073","MoKα","","0.0434","0.0344","","","0.0783","0.0842","","","","","","1.045","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029967","10.2231","0.0006","12.9966","0.0013","13.1332","0.001","63.518","0.006","81.209","0.006","87.715","0.007","1542.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N10 Ni O8 S2 -","- C18 H28 N10 Ni O8 S2 -","- C36 H56 N20 Ni2 O16 S4 -","2","1","","Castiñeiras, Alfonso; Fernández-Hermida, Nuria; García-Santos, Isabel; Gómez-Rodríguez, Lourdes","Neutral Ni(II), Pd(II) and Pt(II) ONS-pincer complexes of 5-acetylbarbituric-4N-dimethylthiosemicarbazone: synthesis, characterization and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13486","13495","10.1039/c2dt31753b","","","1.54184","CuKα","","0.0585","0.0436","","","0.1276","0.1323","","","","","","1.073","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029968","6.547","0.002","13.218","0.004","13.463","0.004","117.118","0.004","96.563","0.005","92.827","0.005","1023.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H23 N5 O5 Pd S3 -","- C13 H23 N5 O5 Pd S3 -","- C26 H46 N10 O10 Pd2 S6 -","2","1","","Castiñeiras, Alfonso; Fernández-Hermida, Nuria; García-Santos, Isabel; Gómez-Rodríguez, Lourdes","Neutral Ni(II), Pd(II) and Pt(II) ONS-pincer complexes of 5-acetylbarbituric-4N-dimethylthiosemicarbazone: synthesis, characterization and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13486","13495","10.1039/c2dt31753b","","","0.71073","MoKα","","0.0706","0.0402","","","0.0888","0.1031","","","","","","1.059","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029969","6.6141","0.0015","13.122","0.003","13.394","0.003","116.863","0.003","96.683","0.004","92.316","0.004","1024.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H23 N5 O5 Pt S3 -","- C13 H23 N5 O5 Pt S3 -","- C26 H46 N10 O10 Pt2 S6 -","2","1","","Castiñeiras, Alfonso; Fernández-Hermida, Nuria; García-Santos, Isabel; Gómez-Rodríguez, Lourdes","Neutral Ni(II), Pd(II) and Pt(II) ONS-pincer complexes of 5-acetylbarbituric-4N-dimethylthiosemicarbazone: synthesis, characterization and properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13486","13495","10.1039/c2dt31753b","","","0.71073","MoKα","","0.0499","0.0328","","","0.0727","0.0805","","","","","","1.06","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029970","21.96","0.003","15.053","0.002","22.295","0.004","90","","117.445","0.002","90","","6540.5","1.7","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H94 Al2 N4 O2 Si -","- C70 H94 Al2 N4 O2 Si -","- C280 H376 Al8 N16 O8 Si4 -","4","1","","Hao, Pengfei; Yang, Zhi; Ma, Xiaoli; Wang, Xiujuan; Liu, Zhihong; Roesky, Herbert W.; Sun, Kening; Li, Jiarong; Zhong, Mingdong","Synthesis and characterization of compounds with the Al-O-X (X = Si, P, C) structural motif.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13520","13524","10.1039/c2dt31872e","","","0.71073","MoKα","","0.0736","0.0583","","","0.1423","0.1538","","","","","","0.998","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7029971","12.875","0.002","14.052","0.003","14.388","0.003","86.432","0.009","70.108","0.007","68.574","0.006","2272.9","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H62 Al N2 O3 P -","- C49 H62 Al N2 O3 P -","- C98 H124 Al2 N4 O6 P2 -","2","1","","Hao, Pengfei; Yang, Zhi; Ma, Xiaoli; Wang, Xiujuan; Liu, Zhihong; Roesky, Herbert W.; Sun, Kening; Li, Jiarong; Zhong, Mingdong","Synthesis and characterization of compounds with the Al-O-X (X = Si, P, C) structural motif.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13520","13524","10.1039/c2dt31872e","","","0.71073","MoKα","","0.084","0.0579","","","0.1345","0.1478","","","","","","1.001","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7029972","12.3271","0.0019","42.636","0.006","10.5983","0.0016","90","","115.176","0.002","90","","5041.1","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H65 Al N2 O4 P2 -","- C56.5 H65 Al N2 O4 P2 -","- C226 H260 Al4 N8 O16 P8 -","4","1","","Hao, Pengfei; Yang, Zhi; Ma, Xiaoli; Wang, Xiujuan; Liu, Zhihong; Roesky, Herbert W.; Sun, Kening; Li, Jiarong; Zhong, Mingdong","Synthesis and characterization of compounds with the Al-O-X (X = Si, P, C) structural motif.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13520","13524","10.1039/c2dt31872e","","","0.71073","MoKα","","0.1312","0.0695","","","0.137","0.164","","","","","","1.001","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7029973","17.191","0.004","19.749","0.005","21.205","0.005","90","","90","","90","","7199","3","153","2","153","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C38 H52 Al N2 O2 -","- C38 H52 Al N2 O2 -","- C304 H416 Al8 N16 O16 -","8","","","Hao, Pengfei; Yang, Zhi; Ma, Xiaoli; Wang, Xiujuan; Liu, Zhihong; Roesky, Herbert W.; Sun, Kening; Li, Jiarong; Zhong, Mingdong","Synthesis and characterization of compounds with the Al-O-X (X = Si, P, C) structural motif.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13520","13524","10.1039/c2dt31872e","","","0.71073","MoKα","","0.0893","0.0695","","","0.1298","0.1382","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7029974","8.4356","0.0019","18.837","0.004","10.116","0.002","90","","113.266","0.002","90","","1476.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H29 Cl2 Cu4 O32 Tb -","- C5 H29 Cl2 Cu4 O32 Tb -","- C10 H58 Cl4 Cu8 O64 Tb2 -","2","0.5","","Li, Zhong-Yi; Yang, Jing-Si; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Ni, Jun; Duan, Chun-Ying","Two one-dimensional compounds based on pyramidal {TbCu4} units and formate ligand: chair-like [(H2O)2(ClO4)2]2- clusters and slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13264","13266","10.1039/c2dt32147e","","","0.71073","MoKα","","0.0383","0.0345","","","0.0845","0.0862","","","","","","1.07","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029975","13.117","0.004","14.41","0.004","21.239","0.006","90","","102.672","0.004","90","","3917","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H30 Cl5 Cu4 Na2 O43 Tb -","- C4 H30 Cl5 Cu4 Na2 O42.66 Tb -","- C16 H120 Cl20 Cu16 Na8 O170.64 Tb4 -","4","0.5","","Li, Zhong-Yi; Yang, Jing-Si; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Ni, Jun; Duan, Chun-Ying","Two one-dimensional compounds based on pyramidal {TbCu4} units and formate ligand: chair-like [(H2O)2(ClO4)2]2- clusters and slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13264","13266","10.1039/c2dt32147e","","","0.71073","MoKα","","0.0419","0.0404","","","0.1103","0.1112","","","","","","1.095","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029976","19.058","0.008","8.91","0.003","16.588","0.007","90","","121.379","0.004","90","","2404.8","1.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Br2 Cd N2 O5 -","- C26 H20 Br2 Cd N2 O5 -","- C104 H80 Br8 Cd4 N8 O20 -","4","0.5","","Sun, Jian-Ke; Wang, Peng; Chen, Cheng; Zhou, Xue-Jun; Wu, Li-Ming; Zhang, Yong-Fan; Zhang, Jie","Charge-distribution-related regioisomerism of photoresponsive metal-organic polymeric chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13441","13446","10.1039/c2dt31552a","","","0.71073","MoKα","","0.0749","0.055","","","0.1651","0.1807","","","","","","1.092","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029977","16.368","0.002","9.5792","0.0011","19.184","0.003","90","","113.3","0.007","90","","2762.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 Cd N2 O8 -","- C26 H24 Br2 Cd N2 O8 -","- C104 H96 Br8 Cd4 N8 O32 -","4","1","","Sun, Jian-Ke; Wang, Peng; Chen, Cheng; Zhou, Xue-Jun; Wu, Li-Ming; Zhang, Yong-Fan; Zhang, Jie","Charge-distribution-related regioisomerism of photoresponsive metal-organic polymeric chains.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13441","13446","10.1039/c2dt31552a","","","0.71073","MoKα","","0.0593","0.0441","","","0.1116","0.1217","","","","","","1.012","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029978","12.2324","0.0003","8.4934","0.0002","15.8447","0.0005","90","","94.136","0.003","90","","1641.89","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl2 N6 O4 Ru2 -","- C34 H30 Cl2 N6 O4 Ru2 -","- C68 H60 Cl4 N12 O8 Ru4 -","2","0.5","","Kundu, Tanaya; Schweinfurth, David; Sarkar, Biprajit; Mondal, Tapan Kumar; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(μ-tppz)Ru(L)Cl]+, L = β-diketonato ligands, tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13429","13440","10.1039/c2dt31763j","","","0.71073","MoKα","","0.0432","0.0293","","","0.0628","0.0648","","","","","","0.941","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029979","8.8953","0.0002","9.2556","0.0002","11.3444","0.0003","101.726","0.002","99.723","0.002","98.659","0.002","884.68","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cl2 N6 O4 Ru2 -","- C38 H38 Cl2 N6 O4 Ru2 -","- C38 H38 Cl2 N6 O4 Ru2 -","1","0.5","","Kundu, Tanaya; Schweinfurth, David; Sarkar, Biprajit; Mondal, Tapan Kumar; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(μ-tppz)Ru(L)Cl]+, L = β-diketonato ligands, tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13429","13440","10.1039/c2dt31763j","","","0.71073","MoKα","","0.0294","0.0247","","","0.0592","0.0601","","","","","","1.038","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029980","12.102","0.0003","13.1171","0.0004","15.5789","0.0004","77.721","0.003","87.363","0.002","75.475","0.002","2339.16","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","rutheniumcomplexes","","","- C46 H54 Cl2 N6 O4 Ru2 -","- C46 H54 Cl2 N6 O4 Ru2 -","- C92 H108 Cl4 N12 O8 Ru4 -","2","1","","Kundu, Tanaya; Schweinfurth, David; Sarkar, Biprajit; Mondal, Tapan Kumar; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(μ-tppz)Ru(L)Cl]+, L = β-diketonato ligands, tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13429","13440","10.1039/c2dt31763j","","","0.71073","MoKα","","0.0936","0.0435","","","0.0639","0.07","","","","","","0.745","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029981","11.781","0.005","13.68","0.005","27.374","0.011","90","","95.375","0.015","90","","4392","3","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ruthenium complexes","","","- C40 H48 Cl2 N8 O8 Ru2 -","- C40 H40 Cl2 N8 O8 Ru2 -","- C160 H160 Cl8 N32 O32 Ru8 -","4","0.5","","Kundu, Tanaya; Schweinfurth, David; Sarkar, Biprajit; Mondal, Tapan Kumar; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(μ-tppz)Ru(L)Cl]+, L = β-diketonato ligands, tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13429","13440","10.1039/c2dt31763j","","","0.71073","MoKα","","0.1134","0.0643","","","0.1675","0.1978","","","","","","1.019","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029982","12.81","0.001","13.387","0.001","14.811","0.001","107.566","0.007","95.731","0.006","106.692","0.007","2270.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","ruthenium complexes","","","- C41 H50 Cl4 N6 O7 Ru2 -","- C41 H45 Cl4 N6 O7 Ru2 -","- C82 H90 Cl8 N12 O14 Ru4 -","2","1","","Kundu, Tanaya; Schweinfurth, David; Sarkar, Biprajit; Mondal, Tapan Kumar; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(μ-tppz)Ru(L)Cl]+, L = β-diketonato ligands, tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13429","13440","10.1039/c2dt31763j","","","0.71073","MoKα","","0.0835","0.0537","","","0.1321","0.142","","","","","","1.007","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029983","14.4083","0.0005","13.4694","0.0005","19.744","0.0006","90","","100.262","0.003","90","","3770.4","0.2","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H35 Cl N4 O2 Zn -","- C48 H35 Cl N4 O2 Zn -","- C192 H140 Cl4 N16 O8 Zn4 -","4","1","","Chang, Wen-Pin; Lin, Wen-Chain; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","A 13C and 1H NMR spectroscopic investigation of the structure of the iminium ion with a dipolar form in metal complexes of 2-N-substituted N-confused porphyrins.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13454","13464","10.1039/c2dt31426f","","x-ray","0.71073","MoKα","","0.0583","0.0395","","","0.0995","0.1029","","","","","","1.038","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029984","11.9685","0.0002","14.85","0.0003","23.3388","0.0004","90","","96.174","0.002","90","","4124","0.13","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H33 Cl N4 O2 Zn -","- C47 H33 Cl N4 O2 Zn -","- C188 H132 Cl4 N16 O8 Zn4 -","4","1","","Chang, Wen-Pin; Lin, Wen-Chain; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","A 13C and 1H NMR spectroscopic investigation of the structure of the iminium ion with a dipolar form in metal complexes of 2-N-substituted N-confused porphyrins.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13454","13464","10.1039/c2dt31426f","","x-ray","1.54178","CuKα","","0.0544","0.0477","","","0.1318","0.1358","","","","","","1.042","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029985","10.4698","0.0003","25.3342","0.0008","15.4465","0.0005","90","","104.94","0.003","90","","3958.6","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 N4 O2 Pd -","- C48 H34 N4 O2 Pd -","- C192 H136 N16 O8 Pd4 -","4","1","","Chang, Wen-Pin; Lin, Wen-Chain; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","A 13C and 1H NMR spectroscopic investigation of the structure of the iminium ion with a dipolar form in metal complexes of 2-N-substituted N-confused porphyrins.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13454","13464","10.1039/c2dt31426f","","x-ray","0.71073","MoKα","","0.0813","0.0463","","","0.1192","0.1274","","","","","","1.019","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029986","10.484","0.0006","13.3709","0.0007","14.5682","0.0008","82.57","0.004","78.087","0.004","88.875","0.004","1981.36","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Br Mn N4 O2 -","- C48 H34 Br Mn N4 O2 -","- C96 H68 Br2 Mn2 N8 O4 -","2","1","","Chang, Wen-Pin; Lin, Wen-Chain; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","A 13C and 1H NMR spectroscopic investigation of the structure of the iminium ion with a dipolar form in metal complexes of 2-N-substituted N-confused porphyrins.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13454","13464","10.1039/c2dt31426f","","x-ray","0.71073","MoKα","","0.1079","0.0738","","","0.2313","0.2445","","","","","","1.063","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029987","11.816","0.0005","12.3785","0.0005","16.3864","0.0007","86.438","0.004","83.692","0.004","66.275","0.004","2180.48","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H38 N4 Ni O -","- C53 H38 N4 Ni O -","- C106 H76 N8 Ni2 O2 -","2","1","","Chang, Wen-Pin; Lin, Wen-Chain; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu","A 13C and 1H NMR spectroscopic investigation of the structure of the iminium ion with a dipolar form in metal complexes of 2-N-substituted N-confused porphyrins.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13454","13464","10.1039/c2dt31426f","","x-ray","0.71073","MoKα","","0.0705","0.0473","","","0.132","0.1405","","","","","","1.011","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029988","9.454","0.003","35.516","0.009","8.983","0.003","90","","113.403","0.003","90","","2768.1","1.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H25 N6 O -","- C36 H25 N6 O -","- C144 H100 N24 O4 -","4","0.5","","Katayama, Koichi; Hirotsu, Masakazu; Kinoshita, Isamu; Teki, Yoshio","Design, synthesis, magnetic properties of a π-radical ligand with photo-excited high-spin state and its Fe(II) complex. The first stage of a new strategy for LIESST materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13465","13473","10.1039/c2dt31831h","","","0.7107","MoKα","","0.077","0.057","","","0.1394","0.157","","","","","","1.069","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029989","10","0.005","19.007","0.005","20.695","0.004","78.84","0.005","87.286","0.006","79.763","0.005","3797","2","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H38 O12 P4 Ru -","- C12 H38 O12 P4 Ru -","- C72 H228 O72 P24 Ru6 -","6","3","","McCarty, W. Jeffrey; Yang, Xiaoping; DePue Anderson, Lauren J; Jones, Richard A.","Chemical vapour deposition of amorphous Ru(P) thin films from Ru trialkylphosphite hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13496","13503","10.1039/c2dt31541f","","","0.71073","MoKα","","0.1137","0.0852","","","0.2314","0.2479","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029990","11.465","0.002","18.064","0.004","18.784","0.004","100.57","0.03","99.47","0.03","96.97","0.03","3725.8","1.5","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H62 O12 P4 Ru -","- C24 H62 O12 P4 Ru -","- C96 H248 O48 P16 Ru4 -","4","2","","McCarty, W. Jeffrey; Yang, Xiaoping; DePue Anderson, Lauren J; Jones, Richard A.","Chemical vapour deposition of amorphous Ru(P) thin films from Ru trialkylphosphite hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13496","13503","10.1039/c2dt31541f","","","0.71073","MoKα","","0.1559","0.0967","","","0.2215","0.2489","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029991","18.31","0.004","20.351","0.004","28.915","0.006","90","","90.03","0.03","90","","10775","4","153","1","153","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Cl2 O12 P4 Ru -","- C12 H36 Cl2 O12 P4 Ru -","- C192 H576 Cl32 O192 P64 Ru16 -","16","4","","McCarty, W. Jeffrey; Yang, Xiaoping; DePue Anderson, Lauren J; Jones, Richard A.","Chemical vapour deposition of amorphous Ru(P) thin films from Ru trialkylphosphite hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13496","13503","10.1039/c2dt31541f","","","0.71073","MoKα","","0.0791","0.0723","","","0.1287","0.1316","","","","","","1.24","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029992","14.4792","0.0013","15.5345","0.0014","15.9289","0.0015","90","","90","","90","","3582.8","0.6","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Co2 N12 S4 -","- C28 H36 Co2 N12 S4 -","- C112 H144 Co8 N48 S16 -","4","0.5","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.1303","0.0759","","","0.176","0.1979","","","","","","1.061","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029993","10.6969","0.0004","14.6726","0.0005","11.8716","0.0004","90","","90.68","0.001","90","","1863.13","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N12 S4 Zn2 -","- C32 H44 N12 S4 Zn2 -","- C64 H88 N24 S8 Zn4 -","2","0.5","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.0543","0.0352","","","0.0696","0.0743","","","","","","1.047","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029994","8.9266","0.0002","12.5924","0.0003","13.3789","0.0003","107.083","0.001","104.056","0.001","99.236","0.001","1350.2","0.06","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C50 H46 Cl6 N12 S4 Zn2 -","- C50 H46 Cl6 N12 S4 Zn2 -","- C50 H46 Cl6 N12 S4 Zn2 -","1","0.5","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.1023","0.0522","","","0.1122","0.1287","","","","","","1.095","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029995","11.1425","0.0007","15.4703","0.001","18.6236","0.0011","97.906","0.003","91.45","0.002","107.563","0.002","3024","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C111 H110 N32 O21 S8 Zn4 -","- C111 H110 N32 O21 S8 Zn4 -","- C111 H110 N32 O21 S8 Zn4 -","1","0.5","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.1467","0.0612","","","0.0954","0.1224","","","","","","0.999","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029996","8.9413","0.0003","12.1646","0.0004","13.634","0.0005","65.614","0.002","76.57","0.002","70.636","0.002","1266.36","0.08","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C52 H52 N12 O4 S4 Zn2 -","- C52 H52 N12 O4 S4 Zn2 -","- C52 H52 N12 O4 S4 Zn2 -","1","0.5","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.0691","0.0397","","","0.08","0.0903","","","","","","1.012","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029997","30.0597","0.0013","8.3317","0.0004","27.4037","0.0012","90","","90","","90","","6863.2","0.5","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C56 H64 Cd2 N16 O12 S8 -","- C56 H64 Cd2 N16 O12 S8 -","- C224 H256 Cd8 N64 O48 S32 -","4","1","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.0463","0.0359","","","0.0664","0.0705","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029998","5.4234","0.0003","10.6842","0.0005","14.7858","0.0007","77.839","0.002","81.951","0.003","87.25","0.002","829.13","0.07","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C14 H20 N6 S2 -","- C14 H20 N6 S2 -","- C28 H40 N12 S4 -","2","1","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.0578","0.0384","","","0.0903","0.0972","","","","","","1.074","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029999","8.3203","0.0002","9.8047","0.0003","11.3191","0.0004","112.382","0.001","93.764","0.002","93.041","0.002","848.93","0.05","118","2","118","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C18 H14 Cl2 N6 O -","- C18 H14 Cl2 N6 O -","- C36 H28 Cl4 N12 O2 -","2","1","","Downward, Alan M.; Jane, Reuben T.; Polson, Matthew I. J.; Moore, Evan G.; Hartshorn, Richard M.","Heterodinuclear ruthenium(II)-cobalt(III) complexes as models for a new approach to selective cancer treatment.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14425","14432","10.1039/c2dt31986a","","","0.71073","MoKα","","0.0427","0.0366","","","0.1012","0.1054","","","","","","1.03","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030000","11.8919","0.0007","12.3372","0.0007","15.9036","0.001","81","0.004","77.789","0.004","66.668","0.004","2087.1","0.2","118","2","118","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C40 H29.5 F12 N12.5 P2 Ru -","- C40 H29.5 F12 N12.5 P2 Ru -","- C80 H59 F24 N25 P4 Ru2 -","2","1","","Downward, Alan M.; Jane, Reuben T.; Polson, Matthew I. J.; Moore, Evan G.; Hartshorn, Richard M.","Heterodinuclear ruthenium(II)-cobalt(III) complexes as models for a new approach to selective cancer treatment.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14425","14432","10.1039/c2dt31986a","","","0.71073","MoKα","","0.1193","0.0559","","","0.1121","0.1393","","","","","","1.003","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030115","9.6338","0.0019","14.685","0.003","16.265","0.003","116.67","0.03","96.56","0.03","98.88","0.03","1987.2","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H92 N20 S18 Sb8 Sm4 -","- C32 H92 N20 S18 Sb8 Sm4 -","- C32 H92 N20 S18 Sb8 Sm4 -","1","0.5","","Zhou, Jian; Hu, Feilong; An, Litao; Liu, Xing; Meng, Chang-yu","Novel lanthanoid thioantimonates: the first coexistence of different types of thioantimonate anions in the same framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11760","11764","10.1039/c2dt31005h","","","0.71073","MoKα","","0.0558","0.0521","","","0.1427","0.1474","","","","","","1.03","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030116","14.457","0.006","16.687","0.006","31.024","0.01","90","","113.433","0.014","90","","6867","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H97 Eu4 N20 O4 S10 Sb3 -","- C32 H97 Eu4 N20 O4 S10 Sb3 -","- C128 H388 Eu16 N80 O16 S40 Sb12 -","4","1","","Zhou, Jian; Hu, Feilong; An, Litao; Liu, Xing; Meng, Chang-yu","Novel lanthanoid thioantimonates: the first coexistence of different types of thioantimonate anions in the same framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11760","11764","10.1039/c2dt31005h","","","0.71073","MoKα","","0.0875","0.0694","","","0.1522","0.1603","","","","","","1.165","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7030117","8.782","0.002","18.624","0.003","10.664","0.002","90","","107.991","0.016","90","","1658.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 P2 Pd -","- C14 H26 P2 Pd -","- C56 H104 P8 Pd4 -","4","1","","Sharma, Manab; Ariafard, Alireza; Canty, Allan J.; Yates, Brian F.; Gardiner, Michael G.; Jones, Roderick C.","Synthetic and computational studies of the palladium(IV) system Pd(alkyl)(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C-C reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11820","11828","10.1039/c2dt31086d","","","0.77488","Synchrotron","","0.0523","0.0449","","","0.1106","0.1131","","","","","","1.086","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030118","47.366","0.002","8.495","0.0009","25.065","0.0015","90","","115.36","0.001","90","","9113.6","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 Pd -","- C18 H18 N2 Pd -","- C432 H432 N48 Pd24 -","24","3","","Sharma, Manab; Ariafard, Alireza; Canty, Allan J.; Yates, Brian F.; Gardiner, Michael G.; Jones, Roderick C.","Synthetic and computational studies of the palladium(IV) system Pd(alkyl)(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C-C reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11820","11828","10.1039/c2dt31086d","","","0.77487","Synchrotron","","0.0466","0.0458","","","0.107","0.1075","","","","","","1.081","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030119","7.674","0.0007","9.148","0.0007","9.486","0.0006","84.007","0.001","80.678","0.005","79.39","0.004","643.99","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N2 O Pd -","- C14 H16 N2 O Pd -","- C28 H32 N4 O2 Pd2 -","2","1","","Sharma, Manab; Ariafard, Alireza; Canty, Allan J.; Yates, Brian F.; Gardiner, Michael G.; Jones, Roderick C.","Synthetic and computational studies of the palladium(IV) system Pd(alkyl)(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C-C reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11820","11828","10.1039/c2dt31086d","","","0.77487","Synchrotron","","0.039","0.0385","","","0.0978","0.0982","","","","","","1.07","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030120","37.588","0.008","25.978","0.005","14.42","0.003","90","","98.85","0.03","90","","13913","5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Cu10 H144 Li16 Na12 O265 P8 W48 -","- Cu10 Li16 Na12 O265 P8 W48 -","- Cu20 Li32 Na24 O530 P16 W96 -","2","0.25","","Liu, Zhu-Jun; Zhang, Zhi-Ming; Fu, Hai; Li, Yang-Guang; Chen, Wei-Lin; Wu, Hai-Hong; Wang, En-Bo","Two wheel-like polytungstates obtained by incorporation of two {Cu4} clusters and two molybdenum centers in the {W48} wheel.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11700","11705","10.1039/c2dt30742a","","","0.71073","MoKα","","0.1297","0.0801","","","0.1869","0.2104","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030121","25.7557","0.0017","25.7557","0.0017","22.031","0.002","90","","90","","90","","14614.4","1.9","296","2","296","2","","","","","","","","8","I 4/m","-I 4","87","","","","- H122 K4 Li10 Mo2 Na24 O249 P8 W48 -","- K4 Mo2 Na10 O202 P8 W48 -","- K8 Mo4 Na20 O404 P16 W96 -","2","0.125","","Liu, Zhu-Jun; Zhang, Zhi-Ming; Fu, Hai; Li, Yang-Guang; Chen, Wei-Lin; Wu, Hai-Hong; Wang, En-Bo","Two wheel-like polytungstates obtained by incorporation of two {Cu4} clusters and two molybdenum centers in the {W48} wheel.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11700","11705","10.1039/c2dt30742a","","","0.71073","MoKα","","0.0597","0.0402","","","0.1063","0.1115","","","","","","1.018","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030122","22.4317","0.001","18.9718","0.0011","32.2813","0.0016","90","","99.349","0.001","90","","13555.5","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H47.33333 N24 O27.66667 Pt4 -","- C16 H40 N24 O27.6667 Pt4 -","- C192 H480 N288 O332 Pt48 -","12","1.5","","Zheng, Xiao-Hui; Zhong, Yi-Fang; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Pt(II) squares as selective and effective human telomeric G-quadruplex binders and potential cancer therapeutics.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11807","11812","10.1039/c2dt31303k","","","0.71073","MoKα","","0.1535","0.0812","","","0.1974","0.293","","","","","","1.087","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7030123","12.195","0.01","13.489","0.011","14.276","0.012","104.904","0.008","111.632","0.006","105.607","0.002","1929","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 Cu5 N30 O48 Si W12 -","- C36 H40 Cu5 N30 O48 Si W12 -","- C36 H40 Cu5 N30 O48 Si W12 -","1","0.5","","Wu, Xiao-Yuan; Zhang, Qi-Kai; Kuang, Xiao-Fei; Yang, Wen-bin; Yu, Rong-Min; Lu, Can-Zhong","Two hybrid polyoxometalate-pillared metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11783","11787","10.1039/c2dt30920c","","","0.71073","MoKα","","0.1111","0.094","","","0.173","0.1804","","","","","","1.248","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030124","13.451","0.0017","14.8499","0.0019","21.992","0.002","99.752","0.005","92.35","0.002","116.253","0.004","3849.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H62 Cu9 Mo24 N60 O87 P2 -","- C72 H60 Cu9 Mo24 N60 O87 P2 -","- C72 H60 Cu9 Mo24 N60 O87 P2 -","1","0.5","","Wu, Xiao-Yuan; Zhang, Qi-Kai; Kuang, Xiao-Fei; Yang, Wen-bin; Yu, Rong-Min; Lu, Can-Zhong","Two hybrid polyoxometalate-pillared metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11783","11787","10.1039/c2dt30920c","","","0.71073","MoKα","","0.0913","0.068","","","0.1774","0.205","","","","","","1.085","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030125","15.433","0.009","18.004","0.01","9.215","0.005","90","","91.158","0.008","90","","2560","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cd Cl N O4 -","- C12 H8 Cd Cl N O4 -","- C96 H64 Cd8 Cl8 N8 O32 -","8","1","","Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11898","11906","10.1039/c2dt31243c","","","0.71073","MoKα","","0.228","0.0788","","","0.1047","0.1385","","","","","","0.953","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030126","28.777","0.008","8.059","0.002","15.281","0.004","90","","114.007","0.004","90","","3237.3","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cd N2 O4 -","- C20 H12 Cd N2 O4 -","- C160 H96 Cd8 N16 O32 -","8","1","","Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11898","11906","10.1039/c2dt31243c","","","0.71073","MoKα","","0.1249","0.0657","","","0.1512","0.1873","","","","","","1.062","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030127","7.3968","0.0014","9.1349","0.0018","9.41","0.003","110.547","0.004","98.24","0.004","111.63","0.002","525.6","0.2","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Co N2 O10 -","- C22 H16 Co N2 O10 -","- C22 H16 Co N2 O10 -","1","0.5","","Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11898","11906","10.1039/c2dt31243c","","","0.71073","MoKα","","0.104","0.0645","","","0.1143","0.1402","","","","","","1.062","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030128","13.09","0.005","7.694","0.003","12.632","0.005","90","","97.422","0.006","90","","1261.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Co N2 O10 -","- C26 H24 Co N2 O10 -","- C52 H48 Co2 N4 O20 -","2","0.5","","Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11898","11906","10.1039/c2dt31243c","","","0.71073","MoKα","","0.1199","0.0571","","","0.0985","0.129","","","","","","1.011","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030129","28.867","0.004","8.0358","0.0012","15.211","0.002","90","","114.151","0.002","90","","3219.6","0.8","298","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Co N2 O4 -","- C20 H12 Co N2 O4 -","- C160 H96 Co8 N16 O32 -","8","1","","Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11898","11906","10.1039/c2dt31243c","","","0.71073","MoKα","","0.0564","0.0388","","","0.0827","0.0911","","","","","","1.041","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030130","7.4062","0.0017","9.136","0.002","9.415","0.003","110.466","0.004","98.32","0.004","111.664","0.003","526.5","0.2","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N2 O10 Zn -","- C22 H16 N2 O10 Zn -","- C22 H16 N2 O10 Zn -","1","0.5","","Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11898","11906","10.1039/c2dt31243c","","","0.71073","MoKα","","0.065","0.0544","","","0.1362","0.1442","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030131","12.984","0.008","7.731","0.005","12.571","0.008","90","","97.32","0.007","90","","1251.6","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O10 Zn -","- C26 H24 N2 O10 Zn -","- C52 H48 N4 O20 Zn2 -","2","0.5","","Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11898","11906","10.1039/c2dt31243c","","","0.71073","MoKα","","0.1046","0.0677","","","0.1368","0.1542","","","","","","1.093","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030132","29.004","0.009","8.04","0.003","15.251","0.005","90","","114.337","0.004","90","","3240.4","1.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 N2 O4 Zn -","- C20 H12 N2 O4 Zn -","- C160 H96 N16 O32 Zn8 -","8","1","","Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11898","11906","10.1039/c2dt31243c","","","0.71073","MoKα","","0.1131","0.0555","","","0.1109","0.1329","","","","","","1.043","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030133","9.9248","0.0006","10.1879","0.0006","13.121","0.0007","82.683","0.003","81.063","0.003","88.233","0.003","1299.84","0.13","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H48 Cl N3 O3 -","- C21 H48 Cl N3 O3 -","- C42 H96 Cl2 N6 O6 -","2","1","","Butchard, James R.; Curnow, Owen J.; Garrett, David J.; Maclagan, Robert G. A. R.; Libowitzky, Eugen; Piccoli, Paula M. B.; Schultz, Arthur J.","Structural, theoretical and spectroscopic studies of the dichloride hexahydrate cube [Cl2(H2O)6]2-.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11765","11775","10.1039/c2dt31212c","","","0.71073","MoKα","","0.0427","0.0342","","","0.0946","0.1029","","","","","","1.043","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030134","9.771","0.002","10.103","0.002","13.03","0.002","82.575","0.015","80.833","0.014","88.339","0.015","1259.2","0.4","20","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H48 Cl N3 O3 -","- C21 H48 Cl N3 O3 -","- C42 H96 Cl2 N6 O6 -","2","1","","Butchard, James R.; Curnow, Owen J.; Garrett, David J.; Maclagan, Robert G. A. R.; Libowitzky, Eugen; Piccoli, Paula M. B.; Schultz, Arthur J.","Structural, theoretical and spectroscopic studies of the dichloride hexahydrate cube [Cl2(H2O)6]2-.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11765","11775","10.1039/c2dt31212c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030135","25.434","0.0016","8.312","0.0005","23.733","0.0014","90","","113.34","0.002","90","","4606.8","0.5","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34.64 F6 N8 O8.64 S2 Zn -","- C44 H34.638 F6 N8 O8.638 S2 Zn -","- C176 H138.552 F24 N32 O34.552 S8 Zn4 -","4","1","","Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Self-sorting of metallosupramolecular DCLs via double-level exchange: amplification in solution and solid state modulation.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11860","11865","10.1039/c2dt31532g","","","0.50915","synchrotron","","0.053","0.0451","","0.0477","0.0401","0.0401","","","","","","1.0501","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030136","25.5485","0.0011","8.286","0.0003","23.8465","0.0011","90","","113.144","0.005","90","","4641.9","0.4","175","","175","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 F6 N8 O10 S2 Zn -","- C44 H36 F6 N8 O10 S2 Zn -","- C176 H144 F24 N32 O40 S8 Zn4 -","4","1","","Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Self-sorting of metallosupramolecular DCLs via double-level exchange: amplification in solution and solid state modulation.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11860","11865","10.1039/c2dt31532g","","","0.71073","MoKα","","0.1786","0.072","","0.0975","0.0507","0.0507","","","","","","1.0988","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030137","19.1082","0.0007","21.2045","0.0009","21.4894","0.0009","90","","90","","90","","8707.1","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49.55 Co I O P3 -","- C50 H49.551 Co I O P3 -","- C400 H396.408 Co8 I8 O8 P24 -","8","2","","Rose, Michael J.; Bellone, Donatela E.; Di Bilio, Angel J.; Gray, Harry B.","Spectroscopic and magnetic properties of an iodo Co(I) tripodal phosphine complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11788","11797","10.1039/c2dt31229h","","","0.71073","MoKα","","0.0813","0.0558","","","0.0625","0.0642","","","","","","1.689","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7030138","26.321","0.005","9.652","0.005","14.209","0.005","90","0.005","90","0.005","90","0.005","3610","2","180","2","180","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C38 H39 B Cl2 F4 Fe P Rh S -","- C38 H39 B Cl2 F4 Fe P Rh S -","- C152 H156 B4 Cl8 F16 Fe4 P4 Rh4 S4 -","4","1","","Kozinets, Ekaterina M.; Koniev, Oleksandr; Filippov, Oleg A.; Daran, Jean-Claude; Poli, Rinaldo; Shubina, Elena S.; Belkova, Natalia V.; Manoury, Eric","Coordination chemistry of diphenylphosphinoferrocenylthioethers on cyclooctadiene and norbornadiene rhodium(I) platforms.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11849","11859","10.1039/c2dt30993a","","","0.71073","MoKα","","0.0399","0.034","","","0.0833","0.0857","","","","","","1.036","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030139","11.539","0.0008","12.8367","0.0008","13.5655","0.0008","108.445","0.006","101.88","0.005","98.703","0.005","1813.9","0.2","180","2","180","2","","","","","","","","9","P -1","-P 1","2","","","","- C39 H41 B Cl2 F4 Fe P Rh S -","- C39 H41 B Cl2 F4 Fe P Rh S -","- C78 H82 B2 Cl4 F8 Fe2 P2 Rh2 S2 -","2","1","","Kozinets, Ekaterina M.; Koniev, Oleksandr; Filippov, Oleg A.; Daran, Jean-Claude; Poli, Rinaldo; Shubina, Elena S.; Belkova, Natalia V.; Manoury, Eric","Coordination chemistry of diphenylphosphinoferrocenylthioethers on cyclooctadiene and norbornadiene rhodium(I) platforms.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11849","11859","10.1039/c2dt30993a","","","0.71073","MoKα","","0.0605","0.0484","","","0.1353","0.1432","","","","","","1.059","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030140","10.6632","0.0011","16.983","0.005","17.4347","0.0013","90","","90","","90","","3157.3","1","180","2","180","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 B F4 Fe P Rh S -","- C34 H37 B F4 Fe P Rh S -","- C136 H148 B4 F16 Fe4 P4 Rh4 S4 -","4","1","","Kozinets, Ekaterina M.; Koniev, Oleksandr; Filippov, Oleg A.; Daran, Jean-Claude; Poli, Rinaldo; Shubina, Elena S.; Belkova, Natalia V.; Manoury, Eric","Coordination chemistry of diphenylphosphinoferrocenylthioethers on cyclooctadiene and norbornadiene rhodium(I) platforms.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11849","11859","10.1039/c2dt30993a","","","0.71073","MoKα","","0.0461","0.0381","","","0.0926","0.0953","","","","","","1.094","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030141","14.1752","0.0011","14.1752","0.0011","7.4478","0.0006","90","","90","","90","","1496.5","0.2","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C32 H32 Cl N4 O4 Ru2 -","- C32 H32 Cl N4 O4 Ru2 -","- C64 H64 Cl2 N8 O8 Ru4 -","2","0.25","","Delgado, Patricia; González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L; Torres, Rosario M.","Comparative study of different methods for the preparation of tetraamidato- and tetracarboxylatodiruthenium compounds. Structural and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11866","11874","10.1039/c2dt30939d","","","0.71073","MoKα","","0.034","0.0272","","","0.0626","0.0648","","","","","","0.977","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030142","10.9941","0.001","12.8302","0.0012","14.9279","0.0014","113.153","0.002","93.252","0.002","110.417","0.002","1767.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H35 Cl N4 O4.5 Ru2 -","- C33 H35 Cl N4 O4.5 Ru2 -","- C66 H70 Cl2 N8 O9 Ru4 -","2","1","","Delgado, Patricia; González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L; Torres, Rosario M.","Comparative study of different methods for the preparation of tetraamidato- and tetracarboxylatodiruthenium compounds. Structural and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11866","11874","10.1039/c2dt30939d","","","0.71073","MoKα","","0.1127","0.0524","","","0.1333","0.1698","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030143","27.073","0.019","10.399","0.005","12.8","0.005","90","","113.26","0.06","90","","3311","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl N4 O4 Ru2 -","- C32 H32 Cl N4 O4 Ru2 -","- C128 H128 Cl4 N16 O16 Ru8 -","4","0.5","","Delgado, Patricia; González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L; Torres, Rosario M.","Comparative study of different methods for the preparation of tetraamidato- and tetracarboxylatodiruthenium compounds. Structural and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11866","11874","10.1039/c2dt30939d","","","0.71073","MoKα","","0.1601","0.0605","","","0.1385","0.191","","","","","","0.997","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030144","17.997","0.0014","13.7574","0.001","13.0173","0.001","90","","107.96","0.001","90","","3065.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl O8 Ru2 -","- C32 H28 Cl O8 Ru2 -","- C128 H112 Cl4 O32 Ru8 -","4","0.5","","Delgado, Patricia; González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L; Torres, Rosario M.","Comparative study of different methods for the preparation of tetraamidato- and tetracarboxylatodiruthenium compounds. Structural and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11866","11874","10.1039/c2dt30939d","","","0.71073","MoKα","","0.0309","0.0222","","","0.0505","0.0549","","","","","","1.072","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030145","12.817","0.002","11.084","0.002","21.847","0.004","90","","98.277","0.003","90","","3071.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cl O8 Ru2 -","- C32 H28 Cl O8 Ru2 -","- C128 H112 Cl4 O32 Ru8 -","4","1","","Delgado, Patricia; González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L; Torres, Rosario M.","Comparative study of different methods for the preparation of tetraamidato- and tetracarboxylatodiruthenium compounds. Structural and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11866","11874","10.1039/c2dt30939d","","","0.71073","MoKα","","0.3221","0.0985","","","0.2279","0.3155","","","","","","1.145","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030146","27.433","0.002","10.1585","0.0007","12.7102","0.0008","90","","113.604","0.002","90","","3245.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl O8 Ru2 -","- C32 H28 Cl O8 Ru2 -","- C128 H112 Cl4 O32 Ru8 -","4","0.5","","Delgado, Patricia; González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L; Torres, Rosario M.","Comparative study of different methods for the preparation of tetraamidato- and tetracarboxylatodiruthenium compounds. Structural and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11866","11874","10.1039/c2dt30939d","","","0.71073","MoKα","","0.0603","0.0308","","","0.0699","0.0859","","","","","","1.121","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030147","10.9851","0.0004","6.3686","0.0003","11.4343","0.0004","90","","90","","90","","799.94","0.06","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","BYH221LonG.cif","","","- F Fe Li Na O4 P -","- F Fe Li Na O4 P -","- F8 Fe8 Li8 Na8 O32 P8 -","8","1","","Ben Yahia, Hamdi; Shikano, Masahiro; Sakaebe, Hikari; Koike, Shinji; Tabuchi, Mitsuharu; Kobayashi, Hironori; Kawaji, Hitoshi; Avdeev, Maxim; Miiller, Wojciech; Ling, Christopher D.","Synthesis and characterization of the crystal structure, the magnetic and the electrochemical properties of the new fluorophosphate LiNaFe[PO4]F.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11692","11699","10.1039/c2dt30739a","powder diffraction","neutron","2.4395","","","","","","","","","0.05186","","1.47","","","","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030148","18.138","0.004","18.677","0.004","22.273","0.005","111.94","0.03","109.06","0.03","96.95","0.03","6356","4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C229 H288 Bi8 O74 S22 -","- C229 H276 Bi8 O74 S22 -","- C229 H276 Bi8 O74 S22 -","1","0.5","","Andrews, Philip C.; Busse, Madleen; Deacon, Glen B.; Ferrero, Richard L.; Junk, Peter C.; MacLellan, Jonathan G.; Vom, Amelia","Remarkable in vitro bactericidal activity of bismuth(III) sulfonates against Helicobacter pylori.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11798","11806","10.1039/c2dt31360j","","","0.71073","MoKα","","0.14","0.0615","","","0.0886","0.1069","","","","","","0.981","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030149","22.551","0.003","22.551","0.003","6.3892","0.0015","90","","90","","120","","2813.9","0.8","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C45 H35 Eu O7 -","- C45 H34.98 Eu O7 -","- C135 H104.94 Eu3 O21 -","3","0.333333","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.0583","0.0514","","","0.1072","0.1108","","","","","","1.008","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030150","7.076","0.0005","8.8805","0.0007","19.0843","0.0013","90","","91.697","0.007","90","","1198.7","0.15","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 N4 -","- C28 H30 N4 -","- C56 H60 N8 -","2","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.1036","0.0482","","","0.0813","0.0863","","","","","","1.033","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030151","7.0752","0.0004","8.8818","0.0006","19.0839","0.0014","90","","91.796","0.006","90","","1198.65","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 N4 -","- C28 H30 N4 -","- C56 H60 N8 -","2","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.105","0.0531","","","0.1149","0.123","","","","","","1.022","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030152","17.207","0.003","18.244","0.008","21.772","0.005","90","","90","","90","","6835","4","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Eu N4 O8 -","- C73 H67 Eu N4 O8 -","- C292 H268 Eu4 N16 O32 -","4","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.0567","0.0463","","","0.097","0.0991","","","","","","1.041","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030153","13.9513","0.0008","20.0822","0.0008","18.7419","0.0011","90","","104.474","0.006","90","","5084.3","0.5","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C118 H98 Eu2 N4 O13 -","- C118 H98 Eu2 N4 O13 -","- C236 H196 Eu4 N8 O26 -","2","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.0631","0.055","","","0.1252","0.1273","","","","","","1.038","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030154","17.2636","0.0005","18.1927","0.0006","21.766","0.0006","90","","90","","90","","6836.1","0.4","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Eu N4 O8 -","- C73 H67 Eu N4 O8 -","- C292 H268 Eu4 N16 O32 -","4","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.0586","0.0501","","","0.1092","0.1112","","","","","","1.062","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030155","14.1024","0.0009","20.3261","0.0009","19.103","0.0005","90","","105.54","0.003","90","","5275.6","0.4","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C118 H98 Eu2 N4 O13 -","- C118 H98 Eu2 N4 O13 -","- C236 H196 Eu4 N8 O26 -","2","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.052","0.0466","","","0.1205","0.1221","","","","","","1.066","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030156","16.563","0.002","16.563","0.002","16.563","0.002","90","","90","","90","","4543.8","1","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zn(en)3[Ga2Ge4O12]","","","- C2 H8 Ga0.67 Ge1.33 N2 O4 Zn0.33 -","- C2 H8 Ga0.66 Ge1.34 N2 O4 Zn0.333333 -","- C48 H192 Ga15.84 Ge32.16 N48 O96 Zn8 -","24","1","","Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12170","12174","10.1039/c2dt31185b","","","0.71073","MoKα","","0.0624","0.0493","","","0.125","0.1291","","","","","","1","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030157","16.5903","0.0005","16.5903","0.0005","16.5903","0.0005","90","","90","","90","","4566.3","0.2","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Co(en)3[Ga2Ge4O12]","","","- C2 H8 Co0.33 Ga0.67 Ge1.33 N2 O4 -","- C2 H8 Co0.333333 Ga0.66 Ge1.34 N2 O4 -","- C48 H192 Co8 Ga15.84 Ge32.16 N48 O96 -","24","1","","Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12170","12174","10.1039/c2dt31185b","","","0.71073","MoKα","","0.0405","0.0326","","","0.1162","0.1227","","","","","","0.998","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030158","16.477","0.0002","16.477","0.0002","16.477","0.0002","90","","90","","90","","4473.37","0.09","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Co(en)3[Al2Ge4O12]","","","- C6 H24 Al2 Co Ge4 N6 O12 -","- C6 H24 Al1.98 Co Ge4.02 N6 O12 -","- C48 H192 Al15.84 Co8 Ge32.16 N48 O96 -","8","0.333333","","Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12170","12174","10.1039/c2dt31185b","","","0.71073","MoKα","","0.0366","0.0324","","","0.0837","0.0859","","","","","","1.017","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030159","16.4433","0.0002","16.4433","0.0002","16.4433","0.0002","90","","90","","90","","4445.97","0.09","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Ni(en)3[Al2Ge4O12]","","","- C2 H8 Al0.67 Ge1.33 N2 Ni0.33 O4 -","- C2 H8 Al0.66 Ge1.34 N2 Ni0.333333 O4 -","- C48 H192 Al15.84 Ge32.16 N48 Ni8 O96 -","24","1","","Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12170","12174","10.1039/c2dt31185b","","","0.71073","MoKα","","0.0366","0.0299","","","0.0882","0.0919","","","","","","1.032","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030160","28.3677","0.0009","20.1004","0.0006","28.6804","0.0009","90","","117.952","0.001","90","","14445.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H151 Fe2 N20 O79.5 P2 W22 -","- C80 H150 Fe2 N20 O79.5 P2 W22 -","- C320 H600 Fe8 N80 O318 P8 W88 -","4","1","","Santos, Filipe M.; Brandão, Paula; Félix, Vítor; Domingues, M Rosário M; Amaral, João S; Amaral, Vítor S; Nogueira, Helena I. S.; Cavaleiro, Ana M. V.","Organic-inorganic hybrid materials based on iron(III)-polyoxotungstates and 1-butyl-3-methylimidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12145","12155","10.1039/c2dt31206a","","","0.71073","MoKα","","0.0739","0.0402","","","0.0662","0.0747","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030161","11.8586","0.0015","11.8952","0.0007","18.792","0.0015","90","","107.42","0.014","90","","2529.2","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Cl2 Cu2 N4 O2 -","- C22 H34 Cl2 Cu2 N4 O2 -","- C88 H136 Cl8 Cu8 N16 O8 -","4","0.5","","Biswas, Apurba; Drew, Michael G. B.; Diaz, Carmen; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12200","12212","10.1039/c2dt31277h","","","0.71073","MoKα","","0.059","0.0416","","","0.1037","0.1083","","","","","","0.848","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030162","25.359","0.006","7.7866","0.0012","17.511","0.005","90","","130.06","0.04","90","","2646.4","1.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Cl2 Cu2 N4 O3 -","- C22 H36 Cl2 Cu2 N4 O3 -","- C88 H144 Cl8 Cu8 N16 O12 -","4","0.5","","Biswas, Apurba; Drew, Michael G. B.; Diaz, Carmen; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12200","12212","10.1039/c2dt31277h","","","0.71073","MoKα","","0.1224","0.0659","","","0.1121","0.1359","","","","","","1.002","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030163","8.676","0.003","15.09","0.004","13.092","0.004","90","","99.24","0.03","90","","1691.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Cl2 Cu3 N10 O12 -","- C22 H38 Cl2 Cu3 N10 O12 -","- C44 H76 Cl4 Cu6 N20 O24 -","2","0.5","","Biswas, Apurba; Drew, Michael G. B.; Diaz, Carmen; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12200","12212","10.1039/c2dt31277h","","","0.71073","MoKα","","0.1591","0.0812","","","0.1678","0.2076","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030164","14.5859","0.0005","13.6416","0.0004","25.209","0.0008","90","","93.779","0.003","90","","5005.1","0.3","99.9","0.3","99.9","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H47 B Cl2 Fe N8 O2 -","- C60 H47 B Cl2 Fe N8 O2 -","- C240 H188 B4 Cl8 Fe4 N32 O8 -","4","1","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","1.5418","CuKα","","0.0449","0.0354","","","0.0891","0.0954","","","","","","1.041","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030165","11.2362","0.0004","17.7643","0.0006","25.2782","0.0008","90","","90","","90","","5045.6","0.3","100.2","","100.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54.77 H44.53 B Cl3.53 Fe N6 O3 -","- C54.766 H44.532 B Cl3.532 Fe N6 O3 -","- C219.064 H178.128 B4 Cl14.128 Fe4 N24 O12 -","4","1","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","1.5418","CuKα","","0.0838","0.0814","","","0.241","0.2437","","","","","","1.103","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030166","10.41289","0.00018","30.83","0.0005","13.1758","0.0002","90","","90.634","0.0015","90","","4229.56","0.12","100.5","","100.5","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H41 B Fe N6 O2 -","- C53 H41 B Fe N6 O2 -","- C212 H164 B4 Fe4 N24 O8 -","4","1","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","0.7107","MoKα","","0.0462","0.0375","","","0.0891","0.0953","","","","","","1.027","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030167","9.6832","0.0004","9.8868","0.0005","28.3671","0.0015","85.74","0.004","86.952","0.004","81.003","0.004","2672.5","0.2","100.05","0.1","100.05","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C59 H57 B F3 Fe N7 O6 S -","- C59 H57 B F3 Fe N7 O6 S -","- C118 H114 B2 F6 Fe2 N14 O12 S2 -","2","1","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","1.5418","CuKα","","0.1008","0.0864","","","0.2278","0.2402","","","","","","1.074","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030168","17.8034","0.0007","22.3235","0.001","13.6123","0.0006","90","","99.746","0.004","90","","5331.9","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H55 B Fe N8 O2 -","- C68 H55 B Fe N8 O2 -","- C272 H220 B4 Fe4 N32 O8 -","4","1","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","0.7107","MoKα","","0.0552","0.0414","","","0.1005","0.1083","","","","","","1.058","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030169","9.6359","0.001","13.4413","0.0014","18.205","0.002","95.633","0.009","105.298","0.01","99.002","0.009","2222.1","0.4","101","1","101","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H96 B2 Fe2 N12 O6 -","- C106 H96 B2 Fe2 N12 O6 -","- C106 H96 B2 Fe2 N12 O6 -","1","0.5","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","1.5418","CuKα","","0.1152","0.0718","","","0.1807","0.2227","","","","","","1.026","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030170","13.4895","0.0003","10.0544","0.0003","32.9607","0.0009","90","","96.806","0.003","90","","4438.9","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C103.35 H85.69 B2 Cl3.35 Fe2 N13 O2 -","- C103.348 H85.696 B2 Cl3.348 Fe2 N13 O2 -","- C206.696 H171.392 B4 Cl6.696 Fe4 N26 O4 -","2","1","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","1.5418","CuKα","","0.0821","0.0638","","","0.1662","0.1826","","","","","","1.024","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030171","10.276","0.005","12.01","0.006","13.24","0.007","68.93","0.03","75.58","0.04","69.58","0.03","1414.6","1.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Dy2 F24 N4 O14 -","- C46 H36 Dy2 F24 N4 O14 -","- C46 H36 Dy2 F24 N4 O14 -","1","0.5","","Liu, Ruina; Zhang, Congming; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal","Ligand substitution effect on single-molecule magnet behavior in dinuclear dysprosium complexes with radical functionalized phenol as bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12139","12144","10.1039/c2dt31310c","","","0.71073","MoKα","","0.1027","0.0765","","","0.1205","0.1322","","","","","","1.008","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030172","11.842","0.002","12.447","0.003","12.678","0.003","67.44","0.03","72.97","0.03","63.64","0.03","1529.2","0.7","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H34 Br2 Dy2 F24 N4 O14 -","- C46 H34 Br2 Dy2 F24 N4 O14 -","- C46 H34 Br2 Dy2 F24 N4 O14 -","1","0.5","","Liu, Ruina; Zhang, Congming; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal","Ligand substitution effect on single-molecule magnet behavior in dinuclear dysprosium complexes with radical functionalized phenol as bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12139","12144","10.1039/c2dt31310c","","","0.71073","MoKα","","0.0647","0.056","","","0.1387","0.1458","","","","","","0.991","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030173","9.4804","0.0006","12.1161","0.0008","12.8235","0.0008","109.41","0.003","100.904","0.003","96.306","0.003","1340.25","0.15","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N7 O5 Os -","- C28 H25 N7 O5 Os -","- C56 H50 N14 O10 Os2 -","2","1","","Das, Shyamal; Saha, Debasish; Mardanya, Sourav; Baitalik, Sujoy","A combined experimental and DFT/TDDFT investigation of structural, electronic, and pH-induced tuning of photophysical and redox properties of osmium(II) mixed-chelates derived from imidazole-4,5-dicarboxylic acid and 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12296","12310","10.1039/c2dt31321a","","","0.71073","MoKα","","0.0363","0.0315","","","0.0859","0.0917","","","","","","0.731","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030174","15.5762","0.0005","12.8823","0.0004","15.1334","0.0004","90","","114.679","0.001","90","","2759.27","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cl N6 O9 Os -","- C25 H19 Cl N6 O9 Os -","- C100 H76 Cl4 N24 O36 Os4 -","4","1","","Das, Shyamal; Saha, Debasish; Mardanya, Sourav; Baitalik, Sujoy","A combined experimental and DFT/TDDFT investigation of structural, electronic, and pH-induced tuning of photophysical and redox properties of osmium(II) mixed-chelates derived from imidazole-4,5-dicarboxylic acid and 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12296","12310","10.1039/c2dt31321a","","","0.71073","MoKα","","0.0416","0.0319","","","0.0997","0.1069","","","","","","0.814","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030175","12.3547","0.0006","12.8923","0.0006","19.6931","0.0009","78.355","0.002","78.467","0.002","72.716","0.002","2900.4","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H81 Mo6 N3 O18 -","- C48 H81 Mo6 N3 O18 -","- C96 H162 Mo12 N6 O36 -","2","1","","Gao, Junkuo; Liu, Xinfeng; Liu, Yi; Yu, Lingling; Feng, Yuhua; Chen, Hongyu; Li, Yongxin; Rakesh, Ganguly; Huan, Cheng Hon Alfred; Sum, Tze Chien; Zhao, Yang; Zhang, Qichun","Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12185","12191","10.1039/c2dt31474f","","","0.71073","MoKα","","0.1463","0.0595","","","0.1323","0.1893","","","","","","1.058","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030176","29.088","0.006","9.63","0.002","11","0.0015","90","","90","","90","","3081.3","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 Se2 Sn -","- C12 H14 N2 Se2 Sn -","- C96 H112 N16 Se16 Sn8 -","8","2","","Sharma, Rakesh K.; Kedarnath, G.; Wadawale, Amey; Betty, C. A.; Vishwanadh, B.; Jain, Vimal K.","Diorganotin(IV) 2-pyridyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of tin selenide nanocrystals and thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12129","12138","10.1039/c2dt31197f","","","0.71069","MoKα","","0.1769","0.0507","","","0.1083","0.1392","","","","","","0.968","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030177","10.146","0.003","9.916","0.003","13.06","0.003","90","","112.521","0.019","90","","1213.7","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl N Se Sn -","- C8 H12 Cl N Se Sn -","- C32 H48 Cl4 N4 Se4 Sn4 -","4","1","","Sharma, Rakesh K.; Kedarnath, G.; Wadawale, Amey; Betty, C. A.; Vishwanadh, B.; Jain, Vimal K.","Diorganotin(IV) 2-pyridyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of tin selenide nanocrystals and thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12129","12138","10.1039/c2dt31197f","","","0.71069","MoKα","","0.2079","0.0515","","","0.0858","0.1197","","","","","","0.91","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030178","15.5","0.006","7.312","0.004","10.354","0.006","90","","116.97","0.03","90","","1045.9","1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H26 N2 Se2 Sn -","- C18 H26 N2 Se2 Sn -","- C36 H52 N4 Se4 Sn2 -","2","0.5","","Sharma, Rakesh K.; Kedarnath, G.; Wadawale, Amey; Betty, C. A.; Vishwanadh, B.; Jain, Vimal K.","Diorganotin(IV) 2-pyridyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of tin selenide nanocrystals and thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12129","12138","10.1039/c2dt31197f","","","0.71073","MoKα","","0.0779","0.0377","","","0.0745","0.0886","","","","","","1.028","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030179","21.6139","0.0004","21.6139","0.0004","11.7959","0.0004","90","","90","","90","","5510.6","0.2","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C25 H31 Cl4 N2 P Pd -","- C25 H31 Cl4 N2 P Pd -","- C200 H248 Cl32 N16 P8 Pd8 -","8","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Llamas-Lorente, Pilar; Raja, Rosalia; Bautista, Delia; Orenes, Raul-Angel","Palladium complexes derived from N,N-bidentate NH-iminophosphorane ligands: synthesis and use as catalysts in the Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12259","12269","10.1039/c2dt31290e","","","0.71073","MoKα","","0.031","0.0304","","","0.0793","0.0799","","","","","","1.097","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030180","8.5072","0.0004","20.6152","0.0009","16.0082","0.0007","90","","96.562","0.002","90","","2789.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Br Cl2 N2 P Pd -","- C29 H30 Br Cl2 N2 P Pd -","- C116 H120 Br4 Cl8 N8 P4 Pd4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Llamas-Lorente, Pilar; Raja, Rosalia; Bautista, Delia; Orenes, Raul-Angel","Palladium complexes derived from N,N-bidentate NH-iminophosphorane ligands: synthesis and use as catalysts in the Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12259","12269","10.1039/c2dt31290e","","","0.71073","MoKα","","0.0434","0.0351","","","0.075","0.0782","","","","","","1.071","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030181","18.6505","0.0013","7.6545","0.0005","20.4198","0.0014","90","","93.675","0.002","90","","2909.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl2 N3 P Pd -","- C28 H36 Cl2 N3 P Pd -","- C112 H144 Cl8 N12 P4 Pd4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Llamas-Lorente, Pilar; Raja, Rosalia; Bautista, Delia; Orenes, Raul-Angel","Palladium complexes derived from N,N-bidentate NH-iminophosphorane ligands: synthesis and use as catalysts in the Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12259","12269","10.1039/c2dt31290e","","","0.71073","MoKα","","0.0433","0.0411","","","0.0846","0.0857","","","","","","1.301","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030182","10.0275","0.0006","14.4426","0.0016","25.536","0.002","90","","92.837","0.006","90","","3693.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl8 N2 P Pd -","- C32 H35 Cl8 N2 P Pd -","- C128 H140 Cl32 N8 P4 Pd4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Llamas-Lorente, Pilar; Raja, Rosalia; Bautista, Delia; Orenes, Raul-Angel","Palladium complexes derived from N,N-bidentate NH-iminophosphorane ligands: synthesis and use as catalysts in the Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12259","12269","10.1039/c2dt31290e","","","0.71073","MoKα","","0.0562","0.0362","","","0.0824","0.0881","","","","","","0.937","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030183","26.215","0.013","16.075","0.007","30.126","0.02","90","","116.403","0.007","90","","11371","11","160","2","160","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C111.5 H111 F12 Fe2 N5 O3 P7 Ru -","- C111.5 H111 F12 Fe2 N5 O3 P7 Ru -","- C446 H444 F48 Fe8 N20 O12 P28 Ru4 -","4","1","","Ma, Xiao; Hu, Sheng-Min; Tan, Chun-Hong; Wen, Yue-Hong; Zhu, Qi-Long; Shen, Chao-Jun; Sheng, Tian-Lu; Wu, Xin-Tao","A cyanide-bridged trinuclear Fe(II)-Ru(II)-Fe(II) complex with three stable states: synthesis, crystal structures, electronic couplings and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12163","12169","10.1039/c2dt30614j","","","0.71073","MoKα","","0.0908","0.0746","","0.181","0.1724","","","","1.085","1.157","1.157","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030184","15.548","0.008","17.676","0.009","22.116","0.009","74.529","0.013","79.381","0.018","83.976","0.016","5748","5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H88 F18 Fe2 N5 P8 Ru -","- C103 H88 F18 Fe2 N5 P7.998 Ru -","- C206 H176 F36 Fe4 N10 P15.996 Ru2 -","2","1","","Ma, Xiao; Hu, Sheng-Min; Tan, Chun-Hong; Wen, Yue-Hong; Zhu, Qi-Long; Shen, Chao-Jun; Sheng, Tian-Lu; Wu, Xin-Tao","A cyanide-bridged trinuclear Fe(II)-Ru(II)-Fe(II) complex with three stable states: synthesis, crystal structures, electronic couplings and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12163","12169","10.1039/c2dt30614j","","","0.71073","MoKα","","0.0968","0.0746","","","0.1904","0.2143","","","","","","1.035","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030185","13.917","0.005","15.659","0.005","26.716","0.01","89.678","0.011","81.927","0.008","76.474","0.008","5602","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H94 F24 Fe2 N7 P9 Ru -","- C107 H94 F24 Fe2 N7 P9 Ru -","- C214 H188 F48 Fe4 N14 P18 Ru2 -","2","1","","Ma, Xiao; Hu, Sheng-Min; Tan, Chun-Hong; Wen, Yue-Hong; Zhu, Qi-Long; Shen, Chao-Jun; Sheng, Tian-Lu; Wu, Xin-Tao","A cyanide-bridged trinuclear Fe(II)-Ru(II)-Fe(II) complex with three stable states: synthesis, crystal structures, electronic couplings and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12163","12169","10.1039/c2dt30614j","","","0.71073","MoKα","","0.1006","0.0712","","0.1852","0.1632","","","","1.085","1.144","1.144","","","","","has coordinates,has disorder","288257","2023-12-12","15:56:44",""
"7030186","29.7864","0.0011","6.7861","0.0002","18.4731","0.0007","90","","122.907","0.001","90","","3134.92","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N2 O10 -","- C14 H8 Cu2 N2 O10 -","- C112 H64 Cu16 N16 O80 -","8","1","","Zhang, Jian-Yong; Li, Xiu-Bing; Wang, Kun; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Synthesis, structures, and magnetic properties of four copper compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12192","12199","10.1039/c2dt31378b","","","0.71073","MoKα","","0.0546","0.0376","","","0.101","0.1099","","","","","","0.986","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030187","7.7438","0.0015","10.058","0.002","13.769","0.003","101.96","0.03","105.94","0.03","104.09","0.03","956","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cu N6 O18 -","- C38 H22 Cu N6 O18.001 -","- C38 H22 Cu N6 O18.001 -","1","0.5","","Zhang, Jian-Yong; Li, Xiu-Bing; Wang, Kun; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Synthesis, structures, and magnetic properties of four copper compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12192","12199","10.1039/c2dt31378b","","","0.71073","MoKα","","0.0531","0.047","","","0.1376","0.1417","","","","","","1.086","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030188","7.788","0.003","9.551","0.004","14.389","0.005","101.446","0.005","105.298","0.005","98.651","0.005","988.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cu2 N6 O20 -","- C38 H28 Cu2 N6 O20 -","- C38 H28 Cu2 N6 O20 -","1","0.5","","Zhang, Jian-Yong; Li, Xiu-Bing; Wang, Kun; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Synthesis, structures, and magnetic properties of four copper compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12192","12199","10.1039/c2dt31378b","","","0.71073","MoKα","","0.0651","0.0465","","","0.1158","0.1348","","","","","","0.976","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030189","13.702","0.008","11.056","0.006","27.727","0.016","90","","95.026","0.008","90","","4184","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Cu3 N6 O20 -","- C38 H24 Cu3 N6 O20 -","- C152 H96 Cu12 N24 O80 -","4","1","","Zhang, Jian-Yong; Li, Xiu-Bing; Wang, Kun; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Synthesis, structures, and magnetic properties of four copper compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12192","12199","10.1039/c2dt31378b","","","0.71073","MoKα","","0.0756","0.0422","","","0.0884","0.0966","","","","","","0.881","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030190","14.703","0.003","11.83","0.002","18.743","0.004","90","","97.16","0.03","90","","3234.7","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H72 Cl4 N10 O10 Zn2 -","- C66 H72 Cl4 N10 O10 Zn2 -","- C132 H144 Cl8 N20 O20 Zn4 -","2","0.5","","Gao, Chun-Yan; Qiao, Xin; Ma, Zhong-Ying; Wang, Zhi-Gang; Lu, Jing; Tian, Jin-Lei; Xu, Jing-Yuan; Yan, Shi-Ping","Synthesis, characterization, DNA binding and cleavage, BSA interaction and anticancer activity of dinuclear zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12220","12232","10.1039/c2dt31306e","","","0.71073","MoKα","","0.0758","0.0663","","","0.1715","0.1797","","","","","","1.041","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030191","8.5897","0.0018","18.367","0.004","27.736","0.006","90","","91.81","0.004","90","","4373.6","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Br4 N8 Zn2 -","- C41 H40 Br4 N8 Zn2 -","- C164 H160 Br16 N32 Zn8 -","4","1","","Gao, Chun-Yan; Qiao, Xin; Ma, Zhong-Ying; Wang, Zhi-Gang; Lu, Jing; Tian, Jin-Lei; Xu, Jing-Yuan; Yan, Shi-Ping","Synthesis, characterization, DNA binding and cleavage, BSA interaction and anticancer activity of dinuclear zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12220","12232","10.1039/c2dt31306e","","","0.71073","MoKα","","0.0551","0.0487","","","0.1056","0.1089","","","","","","1.13","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030192","8.5044","0.0017","18.377","0.004","27.098","0.005","90","","90.98","0.03","90","","4234.4","1.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Cl4 N8 Zn2 -","- C41 H40 Cl4 N8 Zn2 -","- C164 H160 Cl16 N32 Zn8 -","4","1","","Gao, Chun-Yan; Qiao, Xin; Ma, Zhong-Ying; Wang, Zhi-Gang; Lu, Jing; Tian, Jin-Lei; Xu, Jing-Yuan; Yan, Shi-Ping","Synthesis, characterization, DNA binding and cleavage, BSA interaction and anticancer activity of dinuclear zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12220","12232","10.1039/c2dt31306e","","","0.71073","MoKα","","0.0468","0.0405","","","0.0916","0.0947","","","","","","1.098","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030193","14.573","0.01","11.493","0.008","17.074","0.013","90","","97.932","0.014","90","","2832","4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Cl2 N5 O2 -","- C31 H35 Cl2 N5 O2 -","- C124 H140 Cl8 N20 O8 -","4","1","","Gao, Chun-Yan; Qiao, Xin; Ma, Zhong-Ying; Wang, Zhi-Gang; Lu, Jing; Tian, Jin-Lei; Xu, Jing-Yuan; Yan, Shi-Ping","Synthesis, characterization, DNA binding and cleavage, BSA interaction and anticancer activity of dinuclear zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12220","12232","10.1039/c2dt31306e","","","0.71073","MoKα","","0.1206","0.0882","","","0.1718","0.1884","","","","","","1.161","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030194","10.347","0.001","10.347","0.001","10.347","0.001","90","","90","","90","","1107.75","0.19","295","2","295","2","","","","","","","Synthesized from the elements at 1000 C","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Rh2.74 Si42.61 -","- Ba8 Rh2.7402 Si42.604 -","- Ba8 Rh2.7402 Si42.604 -","1","0.0208333","","Jung, Walter; Kessens, Heike; Ormeci, Alim; Schnelle, Walter; Burkhardt, Ulrich; Borrmann, Horst; Nguyen, Hong Duong; Baitinger, Michael; Grin, Yuri","Synthesis, crystal structure and physical properties of the clathrate-I phase Ba(8)Rh(x)Si(46-x-y□y).","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13960","13968","10.1039/c2dt31432k","","x-ray","0.560871","AgKα","","0.0348","0.0286","","","","","","","","","","1.42","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030195","15.7565","0.0002","26.131","0.0004","26.5276","0.0004","90","","105.663","0.001","90","","10516.7","0.3","160","2","160","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43.2 H51 Ce Cl2 N12 Ni O15.8 -","- C43.2 H43.5 Ce Cl2 N12 Ni O15.8 -","- C345.6 H348 Ce8 Cl16 N96 Ni8 O126.4 -","8","2","","Polyzou, Christina D.; Nikolaou, Helen; Papatriantafyllopoulou, Constantina; Psycharis, Vassilis; Terzis, Aris; Raptopoulou, Catherine P.; Escuer, Albert; Perlepes, Spyros P.","Employment of methyl 2-pyridyl ketone oxime in 3d/4f-metal chemistry: dinuclear nickel(II)/lanthanide(III) species and complexes containing the metals in separate ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13755","13764","10.1039/c2dt31928d","","","1.54178","CuKα","","0.0673","0.0573","","","0.1493","0.158","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030196","15.7617","0.0003","26.1482","0.0005","26.3339","0.0005","90","","105.307","0.001","90","","10468.2","0.3","160","2","160","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43.2 H51 Cl2 Dy N12 Ni O15.8 -","- C43.2 H43.5 Cl2 Dy N12 Ni O15.8 -","- C345.6 H348 Cl16 Dy8 N96 Ni8 O126.4 -","8","2","","Polyzou, Christina D.; Nikolaou, Helen; Papatriantafyllopoulou, Constantina; Psycharis, Vassilis; Terzis, Aris; Raptopoulou, Catherine P.; Escuer, Albert; Perlepes, Spyros P.","Employment of methyl 2-pyridyl ketone oxime in 3d/4f-metal chemistry: dinuclear nickel(II)/lanthanide(III) species and complexes containing the metals in separate ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13755","13764","10.1039/c2dt31928d","","","1.5418","CuKα","","0.1008","0.0798","","","0.2123","0.2336","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030197","13.4798","0.0002","13.4798","0.0005","30.005","0.0002","90","","90","","120","","4721.62","0.19","160","2","160","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C44 H56 Cl La N18 Ni2 O30 -","- C44 H48 Cl La N18 Ni2 O30.06 -","- C132 H144 Cl3 La3 N54 Ni6 O90.18 -","3","0.166667","","Polyzou, Christina D.; Nikolaou, Helen; Papatriantafyllopoulou, Constantina; Psycharis, Vassilis; Terzis, Aris; Raptopoulou, Catherine P.; Escuer, Albert; Perlepes, Spyros P.","Employment of methyl 2-pyridyl ketone oxime in 3d/4f-metal chemistry: dinuclear nickel(II)/lanthanide(III) species and complexes containing the metals in separate ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13755","13764","10.1039/c2dt31928d","","","1.54178","CuKα","","0.0281","0.0281","","","0.073","0.073","","","","","","1.068","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030198","21.0064","0.0015","21.0064","0.0015","42.006","0.004","90","","90","","90","","18536","3","150","2","150","2","","","","","","","synthesis as described","6","I 41/a :2","-I 4ad","88","","","","- C112 H84 Cl16 Mn12 N12 O48 -","- C112 H84 Cl16 Mn12 N12 O48 -","- C448 H336 Cl64 Mn48 N48 O192 -","4","0.25","","Kushch, L. A.; Sasnovskaya, V. D.; Dmitriev, A. I.; Yagubskii, E. B.; Koplak, O. V.; Zorina, L. V.; Boukhvalov, D. W.","New single-molecule magnet based on Mn12 oxocarboxylate clusters with mixed carboxylate ligands, [Mn12O12(CN-o-C6H4CO2)12(CH3CO2)4(H2O)4]·8CH2Cl2: Synthesis, crystal and electronic structure, magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13747","13754","10.1039/c2dt31173a","","","0.71073","MoKα","","0.1913","0.1125","","","0.2607","0.2939","","","","","","1.016","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030199","32.1381","0.0016","8.4504","0.0004","18.4874","0.0009","90","","93.318","0.001","90","","5012.4","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H60 Al2 N6 -","- C59 H60 Al2 N6 -","- C236 H240 Al8 N24 -","4","0.5","","Yang, Nan; Xin, Lan; Gao, Wei; Zhang, Jingshun; Luo, Xuyang; Liu, Xiaoming; Mu, Ying","Al and Zn complexes bearing N,N,N-tridentate quinolinyl anilido-imine ligands: synthesis, characterization and catalysis in L-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11454","11463","10.1039/c2dt30594a","","","0.71073","MoKα","","0.067","0.0558","","","0.1464","0.1559","","","","","","1.033","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030200","9.7793","0.0008","11.1335","0.0009","14.3337","0.0011","71.654","0.001","72.775","0.001","79.368","0.001","1407.67","0.19","185","2","185","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H35 Al2 N3 -","- C29 H35 Al2 N3 -","- C58 H70 Al4 N6 -","2","1","","Yang, Nan; Xin, Lan; Gao, Wei; Zhang, Jingshun; Luo, Xuyang; Liu, Xiaoming; Mu, Ying","Al and Zn complexes bearing N,N,N-tridentate quinolinyl anilido-imine ligands: synthesis, characterization and catalysis in L-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11454","11463","10.1039/c2dt30594a","","","0.71073","MoKα","","0.0825","0.0544","","","0.1343","0.1496","","","","","","1.025","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030201","12.1624","0.0007","12.6833","0.0007","13.7183","0.0008","80.744","0.001","78.244","0.001","73.327","0.001","1972.8","0.2","185","2","185","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H57 Al2 N3 -","- C39 H57 Al2 N3 -","- C78 H114 Al4 N6 -","2","1","","Yang, Nan; Xin, Lan; Gao, Wei; Zhang, Jingshun; Luo, Xuyang; Liu, Xiaoming; Mu, Ying","Al and Zn complexes bearing N,N,N-tridentate quinolinyl anilido-imine ligands: synthesis, characterization and catalysis in L-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11454","11463","10.1039/c2dt30594a","","","0.71073","MoKα","","0.0744","0.0545","","","0.1347","0.1476","","","","","","1.027","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030202","10.7628","0.0007","10.9313","0.0007","11.4905","0.0008","69.82","0.001","88.439","0.001","66.223","0.001","1151.3","0.13","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N3 Zn -","- C28 H29 N3 Zn -","- C56 H58 N6 Zn2 -","2","1","","Yang, Nan; Xin, Lan; Gao, Wei; Zhang, Jingshun; Luo, Xuyang; Liu, Xiaoming; Mu, Ying","Al and Zn complexes bearing N,N,N-tridentate quinolinyl anilido-imine ligands: synthesis, characterization and catalysis in L-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11454","11463","10.1039/c2dt30594a","","","0.71073","MoKα","","0.0365","0.0326","","","0.083","0.0854","","","","","","1.062","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030203","11.438","0.002","13.475","0.003","17.838","0.004","101.71","0.03","94.18","0.03","108.97","0.03","2517.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C115 H119 N12 Zn2 -","- C115 H119 N12 Zn2 -","- C115 H119 N12 Zn2 -","1","0.5","","Yang, Nan; Xin, Lan; Gao, Wei; Zhang, Jingshun; Luo, Xuyang; Liu, Xiaoming; Mu, Ying","Al and Zn complexes bearing N,N,N-tridentate quinolinyl anilido-imine ligands: synthesis, characterization and catalysis in L-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11454","11463","10.1039/c2dt30594a","","","0.71073","MoKα","","0.2669","0.1131","","","0.2288","0.2985","","","","","","1.018","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030204","29.989","0.007","13.19","0.003","6.8105","0.0014","90","","101.518","0.005","90","","2639.7","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 La O11 -","- C12 H10 La O11 -","- C96 H80 La8 O88 -","8","1","","Wang, Yu-Ling; Jiang, Yun-Liang; Xiahou, Zuo-Juan; Fu, Jiang-Hong; Liu, Qing-Yan","Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11428","11437","10.1039/c2dt31090b","","","0.71073","MoKα","","0.0372","0.029","","","0.0656","0.0692","","","","","","1.031","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030205","29.844","0.007","13.113","0.003","6.7951","0.0016","90","","101.574","0.003","90","","2605.2","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O11 Pr -","- C12 H10 O11 Pr -","- C96 H80 O88 Pr8 -","8","1","","Wang, Yu-Ling; Jiang, Yun-Liang; Xiahou, Zuo-Juan; Fu, Jiang-Hong; Liu, Qing-Yan","Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11428","11437","10.1039/c2dt31090b","","","0.71073","MoKα","","0.0563","0.0496","","","0.1282","0.1325","","","","","","1.043","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030206","8.1061","0.0015","9.9258","0.0018","10.6687","0.0019","76.061","0.002","74.789","0.002","74.686","0.002","785.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Nd O13 -","- C12 H14 Nd O13 -","- C24 H28 Nd2 O26 -","2","1","","Wang, Yu-Ling; Jiang, Yun-Liang; Xiahou, Zuo-Juan; Fu, Jiang-Hong; Liu, Qing-Yan","Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11428","11437","10.1039/c2dt31090b","","","0.71073","MoKα","","0.0364","0.0329","","","0.0837","0.0863","","","","","","1.086","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030207","15.5221","0.0001","15.5219","0.0006","6.4783","0.0002","90","","90","","90","","1560.83","0.08","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H16 Eu N O15 -","- C8 H16 Eu N O15 -","- C32 H64 Eu4 N4 O60 -","4","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Xiahou, Zuo-Juan; Fu, Jiang-Hong; Liu, Qing-Yan","Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11428","11437","10.1039/c2dt31090b","","","0.71073","MoKα","","0.0182","0.0164","","","0.0407","0.0415","","","","","","1.062","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030208","7.3991","0.0009","11.473","0.0014","16.2335","0.0019","79.038","0.002","82.588","0.002","79.972","0.002","1325.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 Gd2 O22 -","- C20 H21 Gd2 O22 -","- C40 H42 Gd4 O44 -","2","1","","Wang, Yu-Ling; Jiang, Yun-Liang; Xiahou, Zuo-Juan; Fu, Jiang-Hong; Liu, Qing-Yan","Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11428","11437","10.1039/c2dt31090b","","","0.71073","MoKα","","0.0598","0.0401","","","0.0798","0.0895","","","","","","1.013","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030209","7.3494","0.0004","11.475","0.0006","16.1852","0.0008","78.799","0.001","82.483","0.001","79.955","0.001","1311.79","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 Dy2 O22 -","- C20 H21 Dy2 O22 -","- C40 H42 Dy4 O44 -","2","1","","Wang, Yu-Ling; Jiang, Yun-Liang; Xiahou, Zuo-Juan; Fu, Jiang-Hong; Liu, Qing-Yan","Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11428","11437","10.1039/c2dt31090b","","","0.71073","MoKα","","0.0333","0.0258","","","0.0616","0.0648","","","","","","1.026","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030210","9.3362","0.0015","16.298","0.003","17.254","0.003","90","","90","","90","","2625.4","0.8","133","2","133.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl2 N2 O P Zn -","- C28 H27 Cl2 N2 O P Zn -","- C112 H108 Cl8 N8 O4 P4 Zn4 -","4","1","","Kano, Naokazu; Yamamura, Masaki; Meng, Xiangtai; Yasuzuka, Takaharu; Kawashima, Takayuki","Different coordination modes of 2-(diphenylphosphino)azobenzenes in complexation with hard and soft metals.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11491","11496","10.1039/c2dt31494k","","","0.71073","MoKα","","","0.0303","","","","0.0988","","","","","","1.104","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030211","9.5272","0.0018","21.273","0.002","14.448","0.002","90","","104.319","0.003","90","","2837.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N2 O5 P W -","- C31 H23 N2 O5 P W -","- C124 H92 N8 O20 P4 W4 -","4","1","","Kano, Naokazu; Yamamura, Masaki; Meng, Xiangtai; Yasuzuka, Takaharu; Kawashima, Takayuki","Different coordination modes of 2-(diphenylphosphino)azobenzenes in complexation with hard and soft metals.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11491","11496","10.1039/c2dt31494k","","","0.7107","MoKα","","0.0221","0.0209","","","0.0502","0.0509","","","","","","1.09","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030212","8.632","0.004","17.191","0.008","15.216","0.007","90","","96.028","0.002","90","","2245.5","1.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N2 P Pt -","- C26 H22 Cl N2 P Pt -","- C104 H88 Cl4 N8 P4 Pt4 -","4","1","","Kano, Naokazu; Yamamura, Masaki; Meng, Xiangtai; Yasuzuka, Takaharu; Kawashima, Takayuki","Different coordination modes of 2-(diphenylphosphino)azobenzenes in complexation with hard and soft metals.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11491","11496","10.1039/c2dt31494k","","","0.7107","MoKα","","0.0206","0.0193","","","0.047","0.0477","","","","","","1.079","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030213","10.765","0.002","12.646","0.003","19.068","0.004","95.39","0.03","104.23","0.03","112.35","0.03","2275.7","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Cl Cu Eu N6 O6 -","- C21.3333 H26.6667 Cu0.666667 Eu1.33333 N1.33333 O12 -","- C64 H80 Cu2 Eu4 N4 O36 -","3","1.5","","Yang, Xiaoping; Chan, Christopher; Lam, Daniel; Schipper, Desmond; Stanley, Julie M.; Chen, Xiaoyan; Jones, Richard A.; Holliday, Bradley J.; Wong, Wai-Kwok; Chen, Shengchun; Chen, Qun","Anion-dependent construction of two hexanuclear 3d-4f complexes with a flexible Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11449","11453","10.1039/c2dt31268a","","","0.71073","MoKα","","0.0846","0.0586","","","0.1693","0.2069","","","","","","1.185","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030214","12.803","0.003","16.488","0.003","19.716","0.004","90","","108.4","0.03","90","","3949.2","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Eu N7 Ni O7 -","- C22.6667 H30 Eu1.33333 N1.33333 Ni0.666667 O11.3333 -","- C136 H180 Eu8 N8 Ni4 O68 -","6","1.5","","Yang, Xiaoping; Chan, Christopher; Lam, Daniel; Schipper, Desmond; Stanley, Julie M.; Chen, Xiaoyan; Jones, Richard A.; Holliday, Bradley J.; Wong, Wai-Kwok; Chen, Shengchun; Chen, Qun","Anion-dependent construction of two hexanuclear 3d-4f complexes with a flexible Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11449","11453","10.1039/c2dt31268a","","","0.71073","MoKα","","0.0449","0.037","","","0.1117","0.1374","","","","","","1.169","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030215","12.4758","0.0005","14.6309","0.0008","15.8966","0.0007","100.57","0.0016","93.8369","0.0015","106.906","0.0018","2706.7","0.2","150.1","","150.1","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H51 F12 N9 O2 P2 Pt2 S3 -","- C47 H51 F12 N9 O2 P2 Pt2 S3 -","- C94 H102 F24 N18 O4 P4 Pt4 S6 -","2","1","","Zhang, Hua-Xin; Kato, Masako; Sasaki, Yoichi; Ohba, Tadashi; Ito, Hiroto; Kobayashi, Atsushi; Chang, Ho-Chol; Uosaki, Kohei","Terpyridine platinum(II) complexes containing triazine di- or tri-thiolate bridges: structures, luminescence, electrochemistry, and aggregation.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11497","11506","10.1039/c2dt30997a","","","0.7107","MoKα","","","0.0498","","","","0.1195","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030216","19.593","0.004","27.255","0.005","13.952","0.003","90","0.0004","132.98","0.0005","90","0.0004","5450.7","1.9","150.1","","150.1","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H52 F12 N10 O2 P2 Pt2 S2 -","- C47 H52 F12 N10 O2 P2 Pt2 S2 -","- C188 H208 F48 N40 O8 P8 Pt8 S8 -","4","0.5","","Zhang, Hua-Xin; Kato, Masako; Sasaki, Yoichi; Ohba, Tadashi; Ito, Hiroto; Kobayashi, Atsushi; Chang, Ho-Chol; Uosaki, Kohei","Terpyridine platinum(II) complexes containing triazine di- or tri-thiolate bridges: structures, luminescence, electrochemistry, and aggregation.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11497","11506","10.1039/c2dt30997a","","","0.7107","MoKα","","","0.0386","","","","0.0909","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030217","12.8236","0.0008","18.5277","0.0013","14.1186","0.0008","90","","97.327","0.005","90","","3327.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N O3 P2 Si2 W -","- C33 H36 N O3 P2 Si2 W -","- C132 H144 N4 O12 P8 Si8 W4 -","4","1","","Wingard, Leah A.; White, Peter S.; Templeton, Joseph L.","Synthesis and oxidation of d6 tungsten pincer complexes: a complete series of tungsten(II) hydridocarbonyl and halocarbonyl pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11438","11448","10.1039/c2dt30848g","","","1.54178","CuKα","","0.0693","0.0501","","","0.1144","0.1245","","","","","","0.979","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030218","8.9073","0.0003","24.0432","0.001","17.5465","0.0008","90","","94.894","0.003","90","","3744.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 N O4 P2 Si2 W -","- C37 H40 N O4 P2 Si2 W -","- C148 H160 N4 O16 P8 Si8 W4 -","4","1","","Wingard, Leah A.; White, Peter S.; Templeton, Joseph L.","Synthesis and oxidation of d6 tungsten pincer complexes: a complete series of tungsten(II) hydridocarbonyl and halocarbonyl pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11438","11448","10.1039/c2dt30848g","","","0.71073","MoKα","","0.0634","0.0361","","","0.0692","0.0788","","","","","","1.045","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030219","13.1944","0.0005","18.9951","0.0008","15.4344","0.0006","90","","90.665","0.002","90","","3868","0.3","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B Cl2 F4 N O3 P2 Si2 W -","- C34 H39 B Cl2 F4 N O3 P2 Si2 W -","- C136 H156 B4 Cl8 F16 N4 O12 P8 Si8 W4 -","4","1","","Wingard, Leah A.; White, Peter S.; Templeton, Joseph L.","Synthesis and oxidation of d6 tungsten pincer complexes: a complete series of tungsten(II) hydridocarbonyl and halocarbonyl pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11438","11448","10.1039/c2dt30848g","","","1.54178","CuKα","","0.091","0.0623","","","0.1512","0.1649","","","","","","1.053","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030220","11.2379","0.0016","13.151","0.002","13.648","0.002","85.54","0.02","82.776","0.019","80.878","0.018","1972.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis((2,4-di-tertbutyl-6-chloro-2H-benzo(d) (1,2,3)triazol- 2yl)phenoxido) copper(ii)","Bis{(2,4-di-tertbutyl-6-chloro-2H-benzo[d] [1,2,3]triazol-2yl)phenoxido} copper(II)","","- C40 H44 Cl2 Cu N6 O2 -","- C40 H44 Cl2 Cu N6 O2 -","- C80 H88 Cl4 Cu2 N12 O4 -","2","1","","Butsch, Katharina; Klein, Axel; Nitsche, Sara; Stirnat, Kathrin; Hawkett, Jonathon R.; McInnes, Eric J. L.; Bauer, Matthias","Generation and characterisation of the phenoxyl-radical containing Cu(II) complex [Cu(triaz)2]+ (triaz- = O,N chelating triazole-phenolate).","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11464","11475","10.1039/c2dt31369c","","","0.71073","MoKα","","0.1843","0.066","","","0.1539","0.2041","","","","","","0.682","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030221","17.365","0.002","6.266","0.0009","24.847","0.003","90","","106.045","0.002","90","","2598.3","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H18 Cl N O3 Ru -","- C12 H18 Cl N O3 Ru -","- C96 H144 Cl8 N8 O24 Ru8 -","8","2","","Carmona, Daniel; Viguri, Fernando; Pilar Lamata, M.; Ferrer, Joaquina; Bardají, Elisa; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Ruthenium amino carboxylate complexes as asymmetric hydrogen transfer catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10298","10308","10.1039/c2dt30976a","","","0.71073","MoKα","","0.0322","0.0296","","","0.0656","0.0674","","","","","","1.015","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030222","19.161","0.003","19.161","0.003","10.4784","0.0014","90","","90","","120","","3331.7","0.9","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C60 H96 B3 F12 N3 O9 Ru3 -","- C60 H78 B3 F12 N3 O9 Ru3 -","- C120 H156 B6 F24 N6 O18 Ru6 -","2","0.333333","","Carmona, Daniel; Viguri, Fernando; Pilar Lamata, M.; Ferrer, Joaquina; Bardají, Elisa; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Ruthenium amino carboxylate complexes as asymmetric hydrogen transfer catalysts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10298","10308","10.1039/c2dt30976a","","","0.71073","MoKα","","0.1011","0.089","","","0.1784","0.1839","","","","","","1.197","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030223","12.1681","0.0011","16.3886","0.0015","14.9929","0.0013","90","","94.75","0.001","90","","2979.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Cl4 N3 Ni P -","- C29 H26 Cl4 N3 Ni P -","- C116 H104 Cl16 N12 Ni4 P4 -","4","1","","Zhang, Qiang; Zhang, Xue-Qi; Wang, Zhong-Xia","Nickel complexes supported by quinoline-based ligands: synthesis, characterization and catalysis in the cross-coupling of arylzinc reagents and aryl chlorides or aryltrimethylammonium salts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10453","10464","10.1039/c2dt30886j","","","0.71073","MoKα","","0.1066","0.0532","","","0.1108","0.1249","","","","","","1.062","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030224","10.123","0.001","11.8351","0.00012","12.1719","0.00013","99.283","0.001","111.966","0.002","92.971","0.001","1324.64","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H33 Cl N3 Ni O P -","- C29 H33 Cl N3 Ni O P -","- C58 H66 Cl2 N6 Ni2 O2 P2 -","2","1","","Zhang, Qiang; Zhang, Xue-Qi; Wang, Zhong-Xia","Nickel complexes supported by quinoline-based ligands: synthesis, characterization and catalysis in the cross-coupling of arylzinc reagents and aryl chlorides or aryltrimethylammonium salts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10453","10464","10.1039/c2dt30886j","","","0.71073","MoKα","","0.0833","0.0435","","","0.0623","0.0686","","","","","","1.022","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030225","34.5863","0.0013","11.5292","0.0002","19.6821","0.0005","90","","117.126","0.004","90","","6985","0.4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl2 N3 Ni P -","- C27 H22 Cl2 N3 Ni P -","- C216 H176 Cl16 N24 Ni8 P8 -","8","1","","Zhang, Qiang; Zhang, Xue-Qi; Wang, Zhong-Xia","Nickel complexes supported by quinoline-based ligands: synthesis, characterization and catalysis in the cross-coupling of arylzinc reagents and aryl chlorides or aryltrimethylammonium salts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10453","10464","10.1039/c2dt30886j","","","1.54184","CuKα","","0.0453","0.0378","","","0.1095","0.1125","","","","","","1.015","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030226","11.4343","0.0015","11.602","0.0015","17.1801","0.0019","76.682","0.002","73.197","0.001","64.542","0.001","1955.1","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 Cl4 N3 Ni O P -","- C40 H38 Cl4 N3 Ni O P -","- C80 H76 Cl8 N6 Ni2 O2 P2 -","2","1","","Zhang, Qiang; Zhang, Xue-Qi; Wang, Zhong-Xia","Nickel complexes supported by quinoline-based ligands: synthesis, characterization and catalysis in the cross-coupling of arylzinc reagents and aryl chlorides or aryltrimethylammonium salts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10453","10464","10.1039/c2dt30886j","","","0.71073","MoKα","","0.1415","0.0858","","","0.1953","0.2113","","","","","","1.309","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030227","14.7449","0.0016","13.694","0.0014","16.1341","0.0019","90","","90","","90","","3257.7","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl2 N2 Ni P2 -","- C34 H28 Cl2 N2 Ni P2 -","- C136 H112 Cl8 N8 Ni4 P8 -","4","1","","Zhang, Qiang; Zhang, Xue-Qi; Wang, Zhong-Xia","Nickel complexes supported by quinoline-based ligands: synthesis, characterization and catalysis in the cross-coupling of arylzinc reagents and aryl chlorides or aryltrimethylammonium salts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10453","10464","10.1039/c2dt30886j","","","0.71073","MoKα","","0.2389","0.0984","","","0.1595","0.1844","","","","","","1.05","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030228","11.7609","0.0014","12.4767","0.0016","17.359","0.0018","82.372","0.001","85.171","0.002","79.23","0.001","2475.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H90 Cl2 N8 Ni2 P4 -","- C107 H90 Cl2 N8 Ni2 P4 -","- C107 H90 Cl2 N8 Ni2 P4 -","1","0.5","","Zhang, Qiang; Zhang, Xue-Qi; Wang, Zhong-Xia","Nickel complexes supported by quinoline-based ligands: synthesis, characterization and catalysis in the cross-coupling of arylzinc reagents and aryl chlorides or aryltrimethylammonium salts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10453","10464","10.1039/c2dt30886j","","","0.71073","MoKα","","0.0945","0.0569","","","0.1716","0.1936","","","","","","1.001","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030229","8.4437","0.0002","9.4089","0.0002","19.3916","0.0004","90","","97.7092","0.0011","90","","1526.66","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H40 B2 N2 -","- C36 H40 B2 N2 -","- C72 H80 B4 N4 -","2","1","","Weber, Lothar; Eickhoff, Daniel; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","Diazaborolyl-boryl push-pull systems with ethynylene-arylene bridges as 'turn-on' fluoride sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10328","10346","10.1039/c2dt30438d","","","0.71073","MoKα","","0.0438","0.0364","","","0.0841","0.0879","","","","","","1.024","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030230","8.1825","0.0004","13.9608","0.0005","14.011","0.0007","82.544","0.003","83.797","0.002","74.747","0.002","1526.52","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B2 N2 S -","- C34 H38 B2 N2 S -","- C68 H76 B4 N4 S2 -","2","1","","Weber, Lothar; Eickhoff, Daniel; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","Diazaborolyl-boryl push-pull systems with ethynylene-arylene bridges as 'turn-on' fluoride sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10328","10346","10.1039/c2dt30438d","","","0.71073","MoKα","","0.0796","0.0488","","","0.1177","0.134","","","","","","1.017","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030231","9.1033","0.0005","7.6616","0.0004","17.2575","0.0009","90","","90.917","0.002","90","","1203.48","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B2 Br2 N4 -","- C24 H26 B2 Br2 N4 -","- C48 H52 B4 Br4 N8 -","2","0.5","","Weber, Lothar; Eickhoff, Daniel; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","Diazaborolyl-boryl push-pull systems with ethynylene-arylene bridges as 'turn-on' fluoride sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10328","10346","10.1039/c2dt30438d","","","1.54178","CuKα","","0.0501","0.05","","","0.1184","0.1184","","","","","","1.083","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030232","18.23","0.003","22.799","0.004","24.997","0.004","106.93","0.011","99.728","0.014","94.965","0.011","9694","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H74 B2 F N3 S -","- C50 H74 B2 F N3 S -","- C400 H592 B16 F8 N24 S8 -","8","4","","Weber, Lothar; Eickhoff, Daniel; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","Diazaborolyl-boryl push-pull systems with ethynylene-arylene bridges as 'turn-on' fluoride sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10328","10346","10.1039/c2dt30438d","","","1.54178","CuKα","","0.0611","0.0494","","","0.1302","0.1406","","","","","","1.017","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030233","10.7092","0.0005","25.9916","0.0012","13.7412","0.0007","90","","94.558","0.001","90","","3812.8","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Mn N4 O8 -","- C48 H30 Mn N4 O8 -","- C192 H120 Mn4 N16 O32 -","4","1","","Song, Shu-Yan; Song, Xue-Zhi; Zhao, Shu-Na; Qin, Chao; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, structures and physical properties of transition metal-organic frameworks assembled from trigonal heterofunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10412","10421","10.1039/c2dt30826f","","","0.71073","MoKα","","0.1191","0.0639","","","0.1694","0.2055","","","","","","1.022","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7030234","27.1065","0.0017","12.8792","0.0008","23.3705","0.0014","90","","109.417","0.001","90","","7694.8","0.8","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H58 Co4 N8 O17 -","- C96 H56 Co4 N8 O17 -","- C384 H224 Co16 N32 O68 -","4","0.5","","Song, Shu-Yan; Song, Xue-Zhi; Zhao, Shu-Na; Qin, Chao; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, structures and physical properties of transition metal-organic frameworks assembled from trigonal heterofunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10412","10421","10.1039/c2dt30826f","","","0.71073","MoKα","","0.1377","0.1041","","","0.2918","0.3142","","","","","","1.08","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7030235","7.5082","0.0004","17.6296","0.0009","21.3793","0.0011","90","","95.216","0.001","90","","2818.2","0.3","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H62 N8 Ni O14 -","- C60 H62 N8 Ni O14 -","- C120 H124 N16 Ni2 O28 -","2","0.5","","Song, Shu-Yan; Song, Xue-Zhi; Zhao, Shu-Na; Qin, Chao; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, structures and physical properties of transition metal-organic frameworks assembled from trigonal heterofunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10412","10421","10.1039/c2dt30826f","","","0.71073","MoKα","","0.0834","0.0504","","","0.1271","0.1447","","","","","","1.041","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7030236","26.2171","0.0019","13.4833","0.0009","22.4964","0.0016","90","","108.184","0.001","90","","7555.2","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H58 Cu4 N8 O17 -","- C96 H56 Cu4 N8 O17 -","- C384 H224 Cu16 N32 O68 -","4","0.5","","Song, Shu-Yan; Song, Xue-Zhi; Zhao, Shu-Na; Qin, Chao; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, structures and physical properties of transition metal-organic frameworks assembled from trigonal heterofunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10412","10421","10.1039/c2dt30826f","","","0.71073","MoKα","","0.1236","0.0778","","","0.2038","0.237","","","","","","1.061","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7030237","11.5827","0.0007","12.3343","0.0007","14.7367","0.0008","66.688","0.001","78.461","0.001","89.664","0.001","1888.1","0.19","179","2","179","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 N4 O8 Zn -","- C48 H30 N4 O8 Zn -","- C96 H60 N8 O16 Zn2 -","2","1","","Song, Shu-Yan; Song, Xue-Zhi; Zhao, Shu-Na; Qin, Chao; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, structures and physical properties of transition metal-organic frameworks assembled from trigonal heterofunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10412","10421","10.1039/c2dt30826f","","","0.71073","MoKα","","0.078","0.0538","","","0.1341","0.1487","","","","","","1.037","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7030238","15.3743","0.0006","25.3285","0.0011","11.2832","0.0005","90","","130.199","0.001","90","","3356","0.3","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cd N4 O8 -","- C30 H14 Cd N4 O8 -","- C120 H56 Cd4 N16 O32 -","4","0.5","","Song, Shu-Yan; Song, Xue-Zhi; Zhao, Shu-Na; Qin, Chao; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, structures and physical properties of transition metal-organic frameworks assembled from trigonal heterofunctional ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10412","10421","10.1039/c2dt30826f","","","0.71073","MoKα","","0.0461","0.0428","","","0.1217","0.1251","","","","","","1.081","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7030239","10.1411","0.0002","15.4986","0.0002","21.3658","0.0004","90","","101.712","0.002","90","","3288.21","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Fe -","- C42 H54 Fe -","- C168 H216 Fe4 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0403","0.0341","","","0.0869","0.0888","","","","","","1.086","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030240","18.352","0.0004","9.6436","0.0002","17.7391","0.0004","90","","116.946","0.004","90","","2798.62","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Fe -","- C34 H46 Fe -","- C136 H184 Fe4 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","0.71073","MoKα","","0.0394","0.0266","","","0.0612","0.0627","","","","","","0.933","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030241","17.9709","0.0004","9.6949","0.0002","18.0377","0.0002","90","","114.575","0.002","90","","2857.97","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Mn -","- C34 H46 Mn -","- C136 H184 Mn4 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0326","0.0285","","","0.076","0.0773","","","","","","1.074","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030242","13.3587","0.0006","15.8419","0.0006","16.6359","0.0006","99.248","0.004","92.509","0.002","101.347","0.004","3396.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H54 Mn -","- C42 H54 Mn -","- C168 H216 Mn4 -","4","2","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0936","0.0742","","","0.2008","0.2185","","","","","","1.022","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030243","18.1912","0.0012","9.6645","0.0004","17.7952","0.001","90","","116.869","0.008","90","","2790.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Co -","- C34 H46 Co -","- C136 H184 Co4 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0301","0.0281","","","0.0722","0.0734","","","","","","1.069","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030244","12.5774","0.0002","15.1552","0.0002","15.4685","0.0002","90","","96.108","0.002","90","","2931.76","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Fe -","- C34 H52 Fe -","- C136 H208 Fe4 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","0.71073","MoKα","","0.0415","0.0322","","","0.0771","0.0816","","","","","","1.022","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030245","13.089","0.0005","14.2424","0.0005","13.4791","0.0007","90","","110.734","0.005","90","","2350.02","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Co D18 -","- C60 H72 Co -","- C120 H144 Co2 -","2","0.5","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0612","0.0497","","","0.1216","0.1297","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030246","15.3534","0.0003","10.4548","0.0002","12.3471","0.0003","90","","90","","90","","1981.92","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H29 Fe I O2 -","- C19 H29 Fe I O2 -","- C76 H116 Fe4 I4 O8 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0286","0.0277","","","0.0704","0.0712","","","","","","1.039","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030247","8.49836","0.0001","13.6127","0.0002","16.385","0.0002","90","","90","","90","","1895.51","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Fe I O2 -","- C19 H23 Fe I O2 -","- C76 H92 Fe4 I4 O8 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0193","0.0193","","","0.0501","0.0501","","","","","","1.078","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030248","24.1114","0.0016","22.9404","0.0016","7.5513","0.0005","90","","97.25","0.003","90","","4143.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N6 O16 Pb -","- C32 H32 N6 O16 Pb -","- C128 H128 N24 O64 Pb4 -","4","0.5","","Lin, Xiao-Ming; Li, Ting-Ting; Chen, Lian-Fen; Zhang, Li; Su, Cheng-Yong","Two ligand-functionalized Pb(II) metal-organic frameworks: structures and catalytic performances.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10422","10429","10.1039/c2dt30935a","","","0.71073","MoKα","","0.053","0.0483","","","0.1205","0.1241","","","","","","1.067","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030249","43.753","0.003","7.705","0.0003","28.326","0.002","90","","129.724","0.012","90","","7344.6","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 N5 O11 Pb -","- C29 H25 N5 O11 Pb -","- C232 H200 N40 O88 Pb8 -","8","1","","Lin, Xiao-Ming; Li, Ting-Ting; Chen, Lian-Fen; Zhang, Li; Su, Cheng-Yong","Two ligand-functionalized Pb(II) metal-organic frameworks: structures and catalytic performances.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10422","10429","10.1039/c2dt30935a","","","1.54178","CuKα","","0.0757","0.0524","","","0.1387","0.1466","","","","","","1.059","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030250","43.3044","0.0011","7.7682","0.0002","28.698","0.0009","90","","128.549","0.001","90","","7550.1","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H49 N8 O20 Pb2 -","- C58 H41 N8 O20 Pb2 -","- C232 H164 N32 O80 Pb8 -","4","0.5","","Lin, Xiao-Ming; Li, Ting-Ting; Chen, Lian-Fen; Zhang, Li; Su, Cheng-Yong","Two ligand-functionalized Pb(II) metal-organic frameworks: structures and catalytic performances.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10422","10429","10.1039/c2dt30935a","","","0.71073","MoKα","","0.0462","0.0326","","","0.0784","0.0846","","","","","","1.006","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030251","4.9278","0.0005","13.3692","0.0012","18.6056","0.0019","90","","90.237","0.003","90","","1225.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","","Lin, Xiao-Ming; Li, Ting-Ting; Chen, Lian-Fen; Zhang, Li; Su, Cheng-Yong","Two ligand-functionalized Pb(II) metal-organic frameworks: structures and catalytic performances.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10422","10429","10.1039/c2dt30935a","","","0.71073","MoKα","","0.0669","0.0425","","","0.1159","0.1511","","","","","","1.076","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030252","10.7726","0.0005","11.7903","0.0006","13.773","0.0006","81.743","0.003","79.366","0.003","77.395","0.003","1668.09","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 K4 N12 O7.5 Os Ru -","- C22 H10 K4 N12 O7.5 Os Ru -","- C44 H20 K8 N24 O15 Os2 Ru2 -","2","1","","Wragg, Ashley B.; Derossi, Sofia; Easun, Timothy L.; George, Michael W.; Sun, Xue-Zhong; Hartl, František; Shelton, Alexander H.; Meijer, Anthony J. H. M.; Ward, Michael D.","Solvent-dependent modulation of metal-metal electronic interactions in a dinuclear cyanoruthenate complex: a detailed electrochemical, spectroscopic and computational study.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10354","10371","10.1039/c2dt31001e","","","0.71073","MoKα","","0.0792","0.0558","","","0.1513","0.1707","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030253","11.1702","0.0002","14.4223","0.0005","15.9597","0.0005","90","","114.419","0.002","90","","2341.11","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O4 Ti -","- C24 H26 N2 O4 Ti -","- C96 H104 N8 O16 Ti4 -","4","1","","Grasset, Fabien; Cazaux, Jean-Benoît; Magna, Lionel; Braunstein, Pierre; Oliver-Bourbigou, Hélène","New bis(aryloxy)-Ti(IV) complexes and their use for the selective dimerization of ethylene to 1-butene.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10396","10404","10.1039/c2dt30991b","","","0.71073","MoKα","","0.0514","0.0419","","","0.1064","0.1114","","","","","","1.026","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030254","26.387","0.0006","10.8511","0.0003","18.697","0.0003","90","","103.08","0.001","90","","5214.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H84 O8 Ti2 -","- C46 H84 O8 Ti2 -","- C184 H336 O32 Ti8 -","4","1","","Grasset, Fabien; Cazaux, Jean-Benoît; Magna, Lionel; Braunstein, Pierre; Oliver-Bourbigou, Hélène","New bis(aryloxy)-Ti(IV) complexes and their use for the selective dimerization of ethylene to 1-butene.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10396","10404","10.1039/c2dt30991b","","x-ray","0.71073","MoKα","","0.088","0.0575","","","0.1431","0.1594","","","","","","1.029","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030255","23.076","0.0008","13.0154","0.0006","19.6086","0.0009","90","","111.386","0.002","90","","5483.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 O4 P2 Ti -","- C58 H74 O4 P2 Ti -","- C232 H296 O16 P8 Ti4 -","4","1","","Grasset, Fabien; Cazaux, Jean-Benoît; Magna, Lionel; Braunstein, Pierre; Oliver-Bourbigou, Hélène","New bis(aryloxy)-Ti(IV) complexes and their use for the selective dimerization of ethylene to 1-butene.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10396","10404","10.1039/c2dt30991b","","x-ray","0.71073","MoKα","","0.2354","0.1222","","","0.1933","0.2297","","","","","","1.078","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030256","13.194","0.0004","13.238","0.0003","19.843","0.0008","78.242","0.001","76.021","0.0012","85.207","0.0009","3290.46","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 O6 Ti -","- C32 H52 O6 Ti -","- C128 H208 O24 Ti4 -","4","2","","Grasset, Fabien; Cazaux, Jean-Benoît; Magna, Lionel; Braunstein, Pierre; Oliver-Bourbigou, Hélène","New bis(aryloxy)-Ti(IV) complexes and their use for the selective dimerization of ethylene to 1-butene.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10396","10404","10.1039/c2dt30991b","","","0.71073","MoKα","","0.1134","0.0594","","","0.1374","0.163","","","","","","1.029","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030257","14.6692","0.0009","16.975","0.001","11.3986","0.0007","90","","97.659","0.006","90","","2813","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H88 O8 Ti2 -","- C56 H88 O8 Ti2 -","- C112 H176 O16 Ti4 -","2","0.5","","Grasset, Fabien; Cazaux, Jean-Benoît; Magna, Lionel; Braunstein, Pierre; Oliver-Bourbigou, Hélène","New bis(aryloxy)-Ti(IV) complexes and their use for the selective dimerization of ethylene to 1-butene.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10396","10404","10.1039/c2dt30991b","","","0.7107","MoKα","","0.0706","0.0608","","0.1545","0.137","0.1545","","","","","","0.9362","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030258","9.9777","0.0002","10.8375","0.0002","12.8536","0.0002","103.88","0.0011","101.024","0.0011","112.483","0.001","1183.1","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 B N2 P -","- C28 H28 B N2 P -","- C56 H56 B2 N4 P2 -","2","1","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.0443","0.0362","","","0.0905","0.0947","","","","","","1.047","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030259","9.0888","0.0002","9.2706","0.0002","32.2486","0.0006","92.2206","0.0011","94.351","0.001","112.315","0.0011","2499.75","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 B N2 O1.5 P -","- C28 H29 B N2 O1.5 P -","- C112 H116 B4 N8 O6 P4 -","4","2","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.1074","0.0747","","","0.2066","0.2264","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030260","10.1469","0.0001","15.23","0.0002","32.2144","0.0003","90","","97.0472","0.0005","90","","4940.72","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 B N2 P S -","- C28 H28 B N2 P S -","- C224 H224 B8 N16 P8 S8 -","8","1","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.048","0.0352","","","0.094","0.0989","","","","","","1.16","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030261","10.0975","0.0001","15.38","0.0001","32.4025","0.0003","90","","97.9366","0.0005","90","","4983.89","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 B N2 P Se -","- C28 H28 B N2 P Se -","- C224 H224 B8 N16 P8 Se8 -","8","1","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.039","0.0285","","","0.0688","0.0724","","","","","","1.021","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030262","33.195","0.007","9.7525","0.0016","22.556","0.003","90","","128.27","0.017","90","","5733","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 Au B Cl N2 P -","- C28 H28 Au B Cl N2 P -","- C224 H224 Au8 B8 Cl8 N16 P8 -","8","1","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.0489","0.0317","","","0.0557","0.0592","","","","","","1.037","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030263","19.6129","0.0003","8.4143","0.0001","18.1021","0.0002","90","","110.722","0.0007","90","","2794.11","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 B N2 O4 P S -","- C30 H34 B N2 O4 P S -","- C120 H136 B4 N8 O16 P4 S4 -","4","1","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.0511","0.0363","","","0.091","0.0975","","","","","","1.046","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030264","8.7717","0.0003","10.1929","0.0004","13.9611","0.0005","102.719","0.003","91.738","0.002","109.672","0.002","1139.12","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 B N2 P S -","- C26 H26 B N2 P S -","- C52 H52 B2 N4 P2 S2 -","2","1","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.0579","0.0408","","","0.1001","0.1093","","","","","","1.018","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030265","18.8093","0.0007","8.111","0.0003","17.4215","0.0006","90","","116.364","0.0019","90","","2381.42","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B N2 P S2 -","- C26 H26 B N2 P S2 -","- C104 H104 B4 N8 P4 S8 -","4","1","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.0666","0.0466","","","0.1111","0.122","","","","","","1.037","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030266","18.9789","0.0004","8.338","0.0001","18.3001","0.0003","90","","109.022","0.0009","90","","2737.78","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B N2 O4 P S2 -","- C28 H32 B N2 O4 P S2 -","- C112 H128 B4 N8 O16 P4 S8 -","4","1","","Weber, Lothar; Kuhtz, Henry; Böhling, Lena; Brockhinke, Andreas; Chrostowska, Anna; Dargelos, Alain; Mazière, Audrey; Stammler, Hans-Georg; Neumann, Beate","Syntheses of rod-shaped fluorescent 1,3,2-benzodiazaboroles with phosphonium, and phosphane chalcogenide acceptor functions.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10440","10452","10.1039/c2dt30666b","","","0.71073","MoKα","","0.0523","0.0361","","","0.0879","0.0946","","","","","","1.043","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030267","11.7383","0.0004","12.36","0.0004","16.6796","0.0006","90","","90","","90","","2419.97","0.14","15","2","10","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- Al2 Sb18 Yb22 -","- Al Sb9 Yb11 -","- Al4 Sb36 Yb44 -","4","0.5","","Kastbjerg, Sofie; Uvarov, Catherine A.; Kauzlarich, Susan M.; Chen, Yu-Sheng; Nishibori, Eiji; Spackman, Mark A.; Iversen, Bo Brummerstedt","Crystal structure and chemical bonding of the intermetallic Zintl phase Yb11AlSb9.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10347","10353","10.1039/c2dt30278k","","","0.4428","synchrotron","","0.0321","0.0303","","","0.0663","0.0667","","","","","","1.391","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030268","10.151","0.0006","12.7461","0.0008","14.9409","0.0009","109.52","0.001","93.639","0.001","101.445","0.001","1768.09","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Cl4 P Ru -","- C32 H45 Cl4 P Ru -","- C64 H90 Cl8 P2 Ru2 -","2","1","","Yuan, Jia; Sun, Yue; Yu, Guang-Ao; Zhao, Cui; She, Neng-Fang; Mao, Shu-Lan; Huang, Peng-Shou; Han, Zhi-Jun; Yin, Jun; Liu, Sheng-Hua","Phenyl substituted indenylphosphine ruthenium complexes as catalysts for dehydrogenation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10309","10316","10.1039/c2dt30499f","","","0.71073","MoKα","","0.0487","0.0405","","","0.1157","0.1193","","","","","","1.013","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030269","16.7462","0.0013","9.5164","0.0007","36.246","0.003","90","","92.814","0.001","90","","5769.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl2 P Ru -","- C27 H33 Cl2 P Ru -","- C216 H264 Cl16 P8 Ru8 -","8","2","","Yuan, Jia; Sun, Yue; Yu, Guang-Ao; Zhao, Cui; She, Neng-Fang; Mao, Shu-Lan; Huang, Peng-Shou; Han, Zhi-Jun; Yin, Jun; Liu, Sheng-Hua","Phenyl substituted indenylphosphine ruthenium complexes as catalysts for dehydrogenation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10309","10316","10.1039/c2dt30499f","","","0.71073","MoKα","","0.0971","0.0909","","","0.1834","0.1862","","","","","","1.279","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030270","19.0835","0.0015","9.3905","0.0007","17.6437","0.0014","90","","114.892","0.001","90","","2868.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Cl2 O P Ru -","- C30 H41 Cl2 O P Ru -","- C120 H164 Cl8 O4 P4 Ru4 -","4","1","","Yuan, Jia; Sun, Yue; Yu, Guang-Ao; Zhao, Cui; She, Neng-Fang; Mao, Shu-Lan; Huang, Peng-Shou; Han, Zhi-Jun; Yin, Jun; Liu, Sheng-Hua","Phenyl substituted indenylphosphine ruthenium complexes as catalysts for dehydrogenation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10309","10316","10.1039/c2dt30499f","","","0.71073","MoKα","","0.0303","0.026","","","0.0709","0.0733","","","","","","1.037","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030271","9.083","0.0004","12.7159","0.0007","13.1932","0.0007","87.832","0.004","76.838","0.004","85.366","0.004","1478.62","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Co N2 S2 -","- C38 H30 Co N2 S2 -","- C76 H60 Co2 N4 S4 -","2","1","","Gennari, Marcello; Gerey, Bertrand; Hall, Nikita; Pécaut, Jacques; Vezin, Hervé; Collomb, Marie-Noëlle; Orio, Maylis; Duboc, Carole","Structural, spectroscopic and redox properties of a mononuclear Co(II) thiolate complex‒the reactivity toward S-alkylation: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12586","12594","10.1039/c2dt31222k","","","0.71073","MoKα","","0.09","0.0375","","","0.0346","0.0385","","","","","","0.632","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030272","16.473","0.005","16.473","0.005","7.699","0.003","90","","90","","90","","2089.2","1.2","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","bis(μ~2~-Fluoro)-hexafluoro-tetrakis(dimethylsulfoxide)-di-zirconium(IV)","","- C8 H24 F8 O4 S4 Zr2 -","- C8 H24 F8 O4 S4 Zr2 -","- C32 H96 F32 O16 S16 Zr8 -","4","0.5","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0253","0.0224","","","0.0526","0.0538","","","","","","1.045","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030273","8.675","0.004","11.75","0.004","10.667","0.004","90","","108.269","0.007","90","","1032.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(μ~2~-Fluoro)-hexafluoro-tetrakis(dimethylsulfoxide)-di-hafnium(IV)","","- C8 H24 F8 Hf2 O4 S4 -","- C8 H24 F8 Hf2 O4 S4 -","- C16 H48 F16 Hf4 O8 S8 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0518","0.0498","","","0.1159","0.1172","","","","","","1.027","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030274","8.9","0.003","14.7","0.005","14.547","0.005","90","","95.77","0.02","90","","1893.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-tetrafluoro-bis(triphenylphosphine oxide)zirconium(IV) dichloromethane solvate","","- C38 H34 Cl4 F4 O2 P2 Zr -","- C38 H34 Cl4 F4 O2 P2 Zr -","- C76 H68 Cl8 F8 O4 P4 Zr2 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.121","0.0432","","","0.0745","0.0874","","","","","","0.548","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030275","8.898","0.003","14.688","0.004","14.84","0.005","90","","94.348","0.007","90","","1933.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-tetrafluoro-bis(triphenylarsine oxide)-zirconium(IV) dichloromethane solvate","","- C38 H34 As2 Cl4 F4 O2 Zr -","- C38 H34 As2 Cl4 F4 O2 Zr -","- C76 H68 As4 Cl8 F8 O4 Zr2 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0746","0.057","","","0.1172","0.1261","","","","","","1.107","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030276","13.591","0.003","7.2522","0.0012","11.6584","0.0019","90","","100.919","0.007","90","","1128.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-tetrafluoro-bis(N,N-dimethylformamide)-hafnium(IV)","","- C6 H14 F4 Hf N2 O2 -","- C6 H14 F4 Hf N2 O2 -","- C24 H56 F16 Hf4 N8 O8 -","4","0.5","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0367","0.0351","","","0.0824","0.0838","","","","","","1.061","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030277","15.175","0.005","16.254","0.006","16.34","0.006","90","","90","","90","","4030","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","cis-tetrafluoro-bis(triphenylarsine oxide)zirconium(IV)","","- C38 H34 As2 Cl4 F4 O2 Zr -","- C38 H34 As2 Cl4 F4 O2 Zr -","- C152 H136 As8 Cl16 F16 O8 Zr4 -","4","0.5","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0887","0.0787","","","0.1168","0.1203","","","","","","1.304","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030278","12.991","0.004","13.134","0.004","11.714","0.004","90","","100.919","0.007","90","","1962.5","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","bis(2,2'-bipyridine-N,N')tetrafluorozirconium(IV)","","- C20 H16 F4 N4 Zr -","- C20 H16 F4 N4 Zr -","- C80 H64 F16 N16 Zr4 -","4","1","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.042","0.0384","","","0.0951","0.0983","","","","","","1.065","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030279","18.932","0.007","12.701","0.005","14.612","0.005","90","","128.905","0.011","90","","2734.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-tetrafluoro-bis(trimethylphosphane oxide)hafnium(IV)","","- C6 H18 F4 Hf O2 P2 -","- C6 H18 F4 Hf O2 P2 -","- C48 H144 F32 Hf8 O16 P16 -","8","1","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0758","0.0748","","","0.1992","0.2","","","","","","1.108","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030280","15.935","0.004","17.24","0.004","21.679","0.007","81.698","0.016","85.337","0.017","66.454","0.013","5401","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tris(1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium) tri(mu~2~-fluoro)dodecafluorotrizirconium(IV) tetrahydrofuran solvate dichloromethane solvate","","- C97.55 H144.1 Cl1.1 F15 N6 O4 Zr3 -","- C97.55 H144.1 Cl1.1 F15 N6 O4 Zr3 -","- C195.1 H288.2 Cl2.2 F30 N12 O8 Zr6 -","2","1","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.1229","0.101","","","0.2098","0.2231","","","","","","1.153","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030281","10.829","0.0002","16.4316","0.0003","18.1286","0.0013","90","","100.785","0.007","90","","3168.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-bis(2,6-Di-isopropylphenyl)imidazolium chloride dichloromethane solvate","","- C29 H41 Cl5 N2 -","- C29 H41 Cl5 N2 -","- C116 H164 Cl20 N8 -","4","1","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.0429","0.0352","","","0.0972","0.1027","","","","","","1.039","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030282","9.801","0.002","20.775","0.005","15.552","0.004","90","","91.172","0.004","90","","3166","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-Di-isopropylphenyl)imidazolium trimethyldichlorotin(IV)","","- C30 H46 Cl2 N2 Sn -","- C30 H46 Cl2 N2 Sn -","- C120 H184 Cl8 N8 Sn4 -","4","1","","Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian","Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12548","12557","10.1039/c2dt31501g","","","0.71073","MoKα","","0.044","0.0357","","","0.0713","0.0751","","","","","","1.093","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030283","10.814","0.003","6.6286","0.0017","6.7946","0.0017","90","","106.293","0.002","90","","467.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Ba2 F2 O6 S2 -","- C2 H4 Ba2 F2 O6 S2 -","- C4 H8 Ba4 F4 O12 S4 -","2","0.5","","Abdollahian, Yashar; Hauser, Jesse L.; Rogow, David L.; Oliver, Allen G.; Oliver, Scott R. J.","Solvothermal synthesis and characterization of two inorganic-organic hybrid materials based on barium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12630","12634","10.1039/c2dt31518a","","","0.71073","MoKα","","0.0233","0.0218","","","0.0704","0.0714","","","","","","1.211","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030284","6.259","0.0017","8.266","0.002","7.411","0.002","90","","90","","90","","383.42","0.17","150","2","150","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H4 Ba O6 S2 -","- C2 H4 Ba O6 S2 -","- C4 H8 Ba2 O12 S4 -","2","0.5","","Abdollahian, Yashar; Hauser, Jesse L.; Rogow, David L.; Oliver, Allen G.; Oliver, Scott R. J.","Solvothermal synthesis and characterization of two inorganic-organic hybrid materials based on barium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12630","12634","10.1039/c2dt31518a","","","0.71073","MoKα","","0.0345","0.0335","","","0.0837","0.0838","","","","","","1.22","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030285","22.816","0.007","10.769","0.004","13.587","0.004","90","","98.587","0.007","90","","3301","1.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 N4 O2 Pt2 S2 -","- C40 H24 N4 O2 Pt2 S2 -","- C160 H96 N16 O8 Pt8 S8 -","4","1","","Wang, Zhe; Jiang, Lu; Liu, Zhi-Pan; Gan, C. R. Raymond; Liu, Zhaolin; Zhang, Xin-Hai; Zhao, Jin; Hor, T. S. Andy","Facile formation and redox of benzoxazole-2-thiolate-bridged dinuclear Pt(II/III) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12568","12576","10.1039/c2dt31070h","","","0.71073","MoKα","","0.0736","0.0506","","","0.0971","0.1056","","","","","","0.994","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030286","11.0333","0.0013","11.1183","0.0013","15.4788","0.0019","97.666","0.002","105.77","0.002","109.916","0.002","1663.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H26 Cl2 N4 O2 Pt2 S2 -","- C37 H26 Cl2 N4 O2 Pt2 S2 -","- C74 H52 Cl4 N8 O4 Pt4 S4 -","2","1","","Wang, Zhe; Jiang, Lu; Liu, Zhi-Pan; Gan, C. R. Raymond; Liu, Zhaolin; Zhang, Xin-Hai; Zhao, Jin; Hor, T. S. Andy","Facile formation and redox of benzoxazole-2-thiolate-bridged dinuclear Pt(II/III) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12568","12576","10.1039/c2dt31070h","","","0.71073","MoKα","","0.0247","0.0215","","","0.0501","0.0514","","","","","","1.042","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030287","14.2649","0.0009","18.223","0.0012","21.3226","0.0014","90","","95.134","0.001","90","","5520.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H38 Cl6 N6 O4 Pt2 S4 -","- C57 H38 Cl6 N6 O4 Pt2.0544 S4 -","- C228 H152 Cl24 N24 O16 Pt8.2176 S16 -","4","1","","Wang, Zhe; Jiang, Lu; Liu, Zhi-Pan; Gan, C. R. Raymond; Liu, Zhaolin; Zhang, Xin-Hai; Zhao, Jin; Hor, T. S. Andy","Facile formation and redox of benzoxazole-2-thiolate-bridged dinuclear Pt(II/III) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12568","12576","10.1039/c2dt31070h","","","0.71073","MoKα","","0.0518","0.0395","","","0.1032","0.1097","","","","","","1.054","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030288","17.731","0.005","17.059","0.005","15.67","0.005","90","","109.995","0.006","90","","4454","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H32 N6 O4 Pt2 S4 -","- C50 H32 N6 O4 Pt2 S4 -","- C200 H128 N24 O16 Pt8 S16 -","4","0.5","","Wang, Zhe; Jiang, Lu; Liu, Zhi-Pan; Gan, C. R. Raymond; Liu, Zhaolin; Zhang, Xin-Hai; Zhao, Jin; Hor, T. S. Andy","Facile formation and redox of benzoxazole-2-thiolate-bridged dinuclear Pt(II/III) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12568","12576","10.1039/c2dt31070h","","","0.71073","MoKα","","0.0726","0.055","","","0.1304","0.1447","","","","","","1.103","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030289","15.2972","0.0011","14.0052","0.001","22.8163","0.0017","90","","92.085","0.001","90","","4884.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52.36 H31.68 Cl4.76 N5.56 O3.56 Pt2 S3.56 -","- C52.36 H31.68 Cl4.76 N5.56 O3.56 Pt2 S3.56 -","- C209.44 H126.72 Cl19.04 N22.24 O14.24 Pt8 S14.24 -","4","1","","Wang, Zhe; Jiang, Lu; Liu, Zhi-Pan; Gan, C. R. Raymond; Liu, Zhaolin; Zhang, Xin-Hai; Zhao, Jin; Hor, T. S. Andy","Facile formation and redox of benzoxazole-2-thiolate-bridged dinuclear Pt(II/III) complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12568","12576","10.1039/c2dt31070h","","","0.71073","MoKα","","0.0515","0.0379","","","0.089","0.0943","","","","","","1.034","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030290","14.9315","0.0016","17.0794","0.0018","22.509","0.002","101.933","0.002","90.088","0.002","90.323","0.002","5616.1","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","cadmiumarsenide","","","- C74 H152 As14 Cd K4 N10 O24 -","- C74 H152 As14 Cd K4 N10 O24 -","- C148 H304 As28 Cd2 K8 N20 O48 -","2","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","Synthesis, structure and band gap energy of covalently linked cluster-assembled materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12365","12377","10.1039/c2dt31286g","","","0.71073","MoKα","","0.0592","0.0412","","","0.0849","0.091","","","","","","1.029","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030291","14.029","0.003","21.253","0.005","43.06","0.01","90","","90","","90","","12839","5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","mercuryarsenide","","","- C72 H144 As14 Hg2 K4 N8 O24 -","- C72 H144 As14 Hg2 K4 N8 O24 -","- C288 H576 As56 Hg8 K16 N32 O96 -","4","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","Synthesis, structure and band gap energy of covalently linked cluster-assembled materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12365","12377","10.1039/c2dt31286g","","","0.71073","MoKα","","0.1198","0.0642","","","0.1168","0.1327","","","","","","0.887","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030292","15.5222","0.0016","17.3914","0.0018","17.707","0.0018","84.039","0.002","86.608","0.002","84.539","0.002","4726.8","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","mercuryarsenide","","","- C54 H108 As15 Hg K3 N6 O18 -","- C54 H108 As15 Hg K3 N6 O18 -","- C108 H216 As30 Hg2 K6 N12 O36 -","2","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","Synthesis, structure and band gap energy of covalently linked cluster-assembled materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12365","12377","10.1039/c2dt31286g","","","0.71073","MoKα","","0.0689","0.0504","","","0.1329","0.1409","","","","","","1.056","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030293","14.839","0.003","20.741","0.005","24.297","0.005","90","","95.691","0.004","90","","7441","3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","zincarsenide","","","- C40 H80 As14 Cs2 K2 N8 O12 Zn -","- C40 H80 As14 Cs2 K2 N8 O12 Zn -","- C160 H320 As56 Cs8 K8 N32 O48 Zn4 -","4","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","Synthesis, structure and band gap energy of covalently linked cluster-assembled materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12365","12377","10.1039/c2dt31286g","","","0.71073","MoKα","","0.083","0.0497","","","0.1053","0.1177","","","","","","1.01","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030294","14.838","0.002","20.481","0.003","24.628","0.004","90","","95.112","0.003","90","","7454.6","1.9","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","cadmiumarsenide","","","- C40 H72 As14 Cd K2 N8 O12 Rb2 -","- C40 H72 As14 Cd K2 N8 O12 Rb2 -","- C160 H288 As56 Cd4 K8 N32 O48 Rb8 -","4","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","Synthesis, structure and band gap energy of covalently linked cluster-assembled materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12365","12377","10.1039/c2dt31286g","","","0.71073","MoKα","","0.1248","0.0595","","","0.1318","0.1579","","","","","","0.991","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030295","15.811","0.002","24.774","0.004","29.738","0.005","90","","101.709","0.003","90","","11406","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","zincarsenide","","","- C76 H144 As14 K4 N12 O24 Zn -","- C76 H144 As14 K4 N12 O24 Zn -","- C304 H576 As56 K16 N48 O96 Zn4 -","4","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","Synthesis, structure and band gap energy of covalently linked cluster-assembled materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12365","12377","10.1039/c2dt31286g","","","0.71073","MoKα","","0.0836","0.0472","","","0.0994","0.1133","","","","","","0.994","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030296","11.559","0.0013","11.5507","0.0013","26.697","0.003","90","","90","","90","","3564.4","0.7","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H60 Ca N2 O4 Si4 -","- C24 H60 Ca N2 O4 Si4 -","- C96 H240 Ca4 N8 O16 Si16 -","4","1","","Davin, Julien P.; Buffet, Jean-Charles; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal complexes of a chiral polyether as initiator for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12612","12618","10.1039/c2dt31309j","","","0.71073","MoKα","","0.0376","0.034","","","0.0635","0.0648","","","","","","0.917","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030297","11.0925","0.001","13.1506","0.0012","13.4576","0.0012","90","","90","","90","","1963.1","0.3","130","2","130","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C18 H34 Ca O4 -","- C18 H34 Ca O4 -","- C72 H136 Ca4 O16 -","4","0.5","","Davin, Julien P.; Buffet, Jean-Charles; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal complexes of a chiral polyether as initiator for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12612","12618","10.1039/c2dt31309j","","","0.71073","MoKα","","0.0704","0.0625","","","0.1663","0.1731","","","","","","1.135","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030298","18.1714","0.0018","23.153","0.002","21.826","0.002","90","","97.875","0.0015","90","","9096.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H72 Ca2 N4 O2 Si8 -","- C24 H72 Ca2 N4 O2 Si8 -","- C192 H576 Ca16 N32 O16 Si64 -","8","2","","Davin, Julien P.; Buffet, Jean-Charles; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal complexes of a chiral polyether as initiator for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12612","12618","10.1039/c2dt31309j","","","0.71073","MoKα","","0.0661","0.0366","","","0.0733","0.0803","","","","","","0.85","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030299","9.321","0.002","16.216","0.004","21.088","0.005","90","","90","","90","","3187.4","1.3","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H52 Ca N2 O4 Si4 -","- C20 H52 Ca N2 O4 Si4 -","- C80 H208 Ca4 N8 O16 Si16 -","4","1","","Davin, Julien P.; Buffet, Jean-Charles; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal complexes of a chiral polyether as initiator for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12612","12618","10.1039/c2dt31309j","","","0.71073","MoKα","","0.1149","0.0907","","","0.2087","0.22","","","","","","1.097","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030300","10.5313","0.0009","10.8851","0.001","13.0549","0.0011","87.389","0.005","85.182","0.004","67.29","0.004","1375.5","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H23 Cl2 F12 N O P2 Ru -","- C19 H23 Cl2 F12 N O P2 Ru -","- C38 H46 Cl4 F24 N2 O2 P4 Ru2 -","2","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0271","0.0231","","","0.0545","0.0566","","","","","","1.042","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030301","38.3484","0.0016","15.6169","0.0005","9.1059","0.0003","90","","103.456","0.003","90","","5303.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Cl2 F36 O2 P6 Ru2 -","- C38 H22 Cl2 F36 O2 P6 Ru2 -","- C152 H88 Cl8 F144 O8 P24 Ru8 -","4","0.5","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.1455","0.1387","","","0.3635","0.3659","","","","","","1.147","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030302","7.8669","0.0003","18.9807","0.0006","26.845","0.001","90","","90","","90","","4008.5","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H7 Cl F12 O2 P2 Ru -","- C14 H7 Cl F12 O2 P2 Ru -","- C112 H56 Cl8 F96 O16 P16 Ru8 -","8","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0372","0.029","","","0.0597","0.0627","","","","","","1.03","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030303","7.3937","0.0002","19.1595","0.0006","13.8088","0.0004","90","","96.646","0.002","90","","1943","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F12 O2 P2 Ru -","- C14 H8 F12 O2 P2 Ru -","- C56 H32 F48 O8 P8 Ru4 -","4","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0483","0.0329","","","0.066","0.0713","","","","","","1.038","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030304","9.5524","0.0005","11.1009","0.0007","16.8061","0.0009","82.842","0.004","75.036","0.004","68.235","0.004","1598.13","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 F12 O P3 Ru -","- C31 H23 F12 O P3 Ru -","- C62 H46 F24 O2 P6 Ru2 -","2","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0776","0.0654","","","0.191","0.201","","","","","","1.09","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030305","18.6632","0.0004","20.1318","0.0005","23.9866","0.0005","90","","90","","90","","9012.3","0.4","150","2","150","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C79 H16 B2 Cl2 F64 O6 P4 Ru2 -","- C79 H14 B2 Cl2 F64 O6 P4 Ru2 -","- C316 H56 B8 Cl8 F256 O24 P16 Ru8 -","4","0.5","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0915","0.0495","","","0.1177","0.1401","","","","","","1.023","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030306","6.9732","0.0005","11.1878","0.0009","18.8885","0.0014","91.529","0.004","97.851","0.004","104.386","0.004","1411.17","0.19","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C17 H13 Ag Cl F18 O3 P2 Ru Sb -","- C17 H13 Ag Cl F18 O3 P2 Ru Sb -","- C34 H26 Ag2 Cl2 F36 O6 P4 Ru2 Sb2 -","2","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0381","0.0325","","","0.0744","0.0776","","","","","","1.044","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030307","9.9476","0.0003","18.9614","0.0005","13.3993","0.0004","90","","98.113","0.001","90","","2502.09","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F18 O3 P2 Ru Sb -","- C14 H9 F18 O3 P2 Ru Sb -","- C56 H36 F72 O12 P8 Ru4 Sb4 -","4","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.035","0.029","","","0.0676","0.0721","","","","","","1.132","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030308","10.4378","0.0006","10.7359","0.0006","17.9606","0.001","87.327","0.003","80.705","0.003","64.441","0.003","1791.25","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 F18 O6 P4 Ru2 -","- C26 H14 F18 O6 P4 Ru2 -","- C52 H28 F36 O12 P8 Ru4 -","2","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0321","0.0256","","","0.0618","0.0658","","","","","","1.021","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030309","9.6943","0.0003","22.1871","0.0007","16.0255","0.0005","90","","106.631","0.002","90","","3302.71","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 F12 O2 P3 Ru -","- C32 H25 F12 O2 P3 Ru -","- C128 H100 F48 O8 P12 Ru4 -","4","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0376","0.0288","","","0.0648","0.0696","","","","","","1.056","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030310","13.578","0.007","26.279","0.012","16.698","0.009","90","","111.148","0.004","90","","5557","5","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54.5 H85 Cl2 N2 O2 P Pd -","- C54.5 H85 Cl2 N2 O2 P Pd -","- C218 H340 Cl8 N8 O8 P4 Pd4 -","4","1","","Jurčík, Václav; Schmid, Thibault E.; Dumont, Quentin; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","[Pd(NHC)(PR3)] (NHC = N-heterocyclic carbene) catalysed alcohol oxidation using molecular oxygen.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12619","12623","10.1039/c2dt30133d","","","0.71073","MoKα","","0.0901","0.07","","","0.1759","0.1906","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030311","11.8","0.01","16.619","0.011","11.95","0.01","90","","112.79","0.014","90","","2160","3","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H55 Cl2 N2 O2 P Pd -","- C46 H55 Cl2 N2 O2 P Pd -","- C92 H110 Cl4 N4 O4 P2 Pd2 -","2","1","","Jurčík, Václav; Schmid, Thibault E.; Dumont, Quentin; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","[Pd(NHC)(PR3)] (NHC = N-heterocyclic carbene) catalysed alcohol oxidation using molecular oxygen.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12619","12623","10.1039/c2dt30133d","","","0.71073","MoKα","","0.0749","0.067","","","0.1541","0.1598","","","","","","1.088","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030312","10.7402","0.0007","11.8911","0.0007","17.4118","0.0012","81.039","0.004","89.542","0.004","70.946","0.003","2074","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H50 N9 O P Pd S2 -","- C39 H50 N9 O P Pd S2 -","- C78 H100 N18 O2 P2 Pd2 S4 -","2","1","","Matesanz, Ana I.; Perles, Josefina; Souza, Pilar","New palladium and platinum complexes with bioactive 3,5-diacetyl-1,2,4-triazol bis(4-cyclohexyl thiosemicarbazone) ligand: chemistry, antiproliferative activity and preliminary toxicity studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12538","12547","10.1039/c2dt31199b","","","0.71073","MoKα","","0.0669","0.045","","","0.121","0.145","","","","","","1.134","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030313","10.769","0.005","12.054","0.005","17.499","0.008","81.09","0.02","89.09","0.02","70.974","0.019","2120.1","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","11-10","","","- C40 H52 N9 O P Pt S2 -","- C40 H52 N9 O P Pt S2 -","- C80 H104 N18 O2 P2 Pt2 S4 -","2","1","","Matesanz, Ana I.; Perles, Josefina; Souza, Pilar","New palladium and platinum complexes with bioactive 3,5-diacetyl-1,2,4-triazol bis(4-cyclohexyl thiosemicarbazone) ligand: chemistry, antiproliferative activity and preliminary toxicity studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12538","12547","10.1039/c2dt31199b","","","0.71073","","","0.0438","0.0316","","","0.1041","0.153","","","","","","1.062","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030314","12.4247","0.0004","16.3391","0.0005","24.2489","0.0008","90","","92.702","0.002","90","","4917.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 Cl N9 O P Pd2 S3 -","- C45 H62 Cl N9 O P Pd2 S3 -","- C180 H248 Cl4 N36 O4 P4 Pd8 S12 -","4","1","","Matesanz, Ana I.; Perles, Josefina; Souza, Pilar","New palladium and platinum complexes with bioactive 3,5-diacetyl-1,2,4-triazol bis(4-cyclohexyl thiosemicarbazone) ligand: chemistry, antiproliferative activity and preliminary toxicity studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12538","12547","10.1039/c2dt31199b","","","1.54178","","","0.0511","0.0464","","","0.1274","0.1321","","","","","","1.035","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030315","22.5237","0.0003","12.7743","0.0002","16.6305","0.0002","90","","102.661","0.001","90","","4668.65","0.11","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42.5 H58.5 Cl5.5 N4 -","- C42.5 H58.5 Cl5.5 N4 -","- C170 H234 Cl22 N16 -","4","1","","Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre","Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12558","12567","10.1039/c2dt31619f","","","0.71073","MoKα","","0.0615","0.0546","","","0.1387","0.1439","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030316","13.8052","0.0001","14.3464","0.0001","20.6098","0.0002","90.598","0.001","94.87","0.001","95.814","0.001","4045.47","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H59 K N4 O0.5 -","- C43 H59 K N4 O0.5 -","- C172 H236 K4 N16 O2 -","4","2","","Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre","Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12558","12567","10.1039/c2dt31619f","","","0.71073","MoKα","","0.1081","0.0722","","","0.1516","0.1739","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030317","10.2894","0.0007","12.4817","0.0013","16.3801","0.0017","80.103","0.004","86.108","0.005","74.035","0.005","1992","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H56 Ag Cl N4 -","- C41 H56 Ag Cl N4 -","- C82 H112 Ag2 Cl2 N8 -","2","1","","Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre","Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12558","12567","10.1039/c2dt31619f","","","0.71073","MoKα","","0.2433","0.0702","","","0.1191","0.1637","","","","","","0.937","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030318","14.4973","0.0004","16.0212","0.0004","18.7006","0.0004","90","","90","","90","","4343.48","0.19","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H66 Cl Cr N4 O -","- C46 H66 Cl Cr N4 O -","- C184 H264 Cl4 Cr4 N16 O4 -","4","1","","Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre","Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12558","12567","10.1039/c2dt31619f","","","0.71073","MoKα","","0.0752","0.052","","","0.0962","0.1069","","","","","","1.075","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030319","12.2847","0.0009","15.9373","0.0011","22.3137","0.0013","90","","119.069","0.003","90","","3818.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H110 Cl2 Cr2 N8 -","- C82 H110 Cl2 Cr2 N8 -","- C164 H220 Cl4 Cr4 N16 -","2","0.5","","Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre","Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12558","12567","10.1039/c2dt31619f","","","0.71073","MoKα","","0.1384","0.0568","","","0.1301","0.1653","","","","","","0.993","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030320","14.433","0.01","21.648","0.015","29.447","0.019","90","","97.642","0.007","90","","9119","11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H126 Cl8 Cr2 N8 O -","- C88 H126 Cl8 Cr2 N8 O -","- C352 H504 Cl32 Cr8 N32 O4 -","4","1","","Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre","Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12558","12567","10.1039/c2dt31619f","","","0.6889","synchrotron","","0.1224","0.067","","","0.1778","0.2097","","","","","","1.026","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030321","19.4622","0.001","19.4622","0.001","20.882","0.002","90","","90","","90","","7909.6","1","373","2","373","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C88 H72 Cl4 N4 O10 Sb4 -","- C88 H72 Cl4 N4 O10 Sb4 -","- C352 H288 Cl16 N16 O40 Sb16 -","4","0.25","","Jami, Ananda Kumar; Baskar, Viswanathan","Tetranuclear stiboxanes (RSb)4O6, exhibiting an adamantane-type structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12524","12529","10.1039/c2dt30587a","","","0.71073","MoKα","","0.0306","0.0283","","","0.0749","0.0767","","","","","","1.068","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030322","19.226","0.009","19.226","0.009","21.37","0.019","90","","90","","90","","7899","9","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C88 H72 Br4 N4 O10 Sb4 -","- C88 H72 Br4 N4 O10 Sb4 -","- C352 H288 Br16 N16 O40 Sb16 -","4","0.25","","Jami, Ananda Kumar; Baskar, Viswanathan","Tetranuclear stiboxanes (RSb)4O6, exhibiting an adamantane-type structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12524","12529","10.1039/c2dt30587a","","","0.71073","MoKα","","0.0605","0.0506","","","0.135","0.1443","","","","","","1.07","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030323","20.029","0.01","21.285","0.01","21.577","0.01","90","","95.2","0.007","90","","9161","8","373","2","373","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H70 Cl4 N10 O11 Sb4 -","- C96 H70 Cl4 N10 O11 Sb4 -","- C384 H280 Cl16 N40 O44 Sb16 -","4","1","","Jami, Ananda Kumar; Baskar, Viswanathan","Tetranuclear stiboxanes (RSb)4O6, exhibiting an adamantane-type structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12524","12529","10.1039/c2dt30587a","","","0.71073","MoKα","","0.0567","0.0485","","","0.1146","0.1193","","","","","","1.084","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030324","17.3569","0.0012","21.1518","0.0014","24.9421","0.0017","79.658","0.001","85.473","0.001","76.507","0.001","8753","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C186 H138 Br8 N18 O21 Sb8 -","- C186 H138 Br8 N18 O21 Sb8 -","- C372 H276 Br16 N36 O42 Sb16 -","2","1","","Jami, Ananda Kumar; Baskar, Viswanathan","Tetranuclear stiboxanes (RSb)4O6, exhibiting an adamantane-type structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12524","12529","10.1039/c2dt30587a","","","0.71073","MoKα","","0.0452","0.0376","","","0.0974","0.1008","","","","","","1.062","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030325","11.1209","0.0009","11.5866","0.001","17.2087","0.0014","83.262","0.002","81.327","0.001","69.812","0.001","2052.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H64 Cl4 N8 O8 Sb4 -","- C90 H64 Cl4 N8 O8 Sb4 -","- C90 H64 Cl4 N8 O8 Sb4 -","1","0.5","","Jami, Ananda Kumar; Baskar, Viswanathan","Tetranuclear stiboxanes (RSb)4O6, exhibiting an adamantane-type structure.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12524","12529","10.1039/c2dt30587a","","","0.71073","MoKα","","0.0613","0.0483","","","0.0981","0.1032","","","","","","1.109","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030326","11.0878","0.0004","18.8979","0.0006","28.2307","0.0009","90","","90","","90","","5915.4","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Fe I2 N7 O3 -","- C27 H33 Fe I2 N7 O3 -","- C216 H264 Fe8 I16 N56 O24 -","8","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0334","0.0234","","","0.0464","0.0499","","","","","","1.032","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030327","10.2839","0.0005","14.532","0.0007","19.9842","0.0009","90","","96.513","0.002","90","","2967.3","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Br2 Fe N7 O3 -","- C27 H33 Br2 Fe N7 O3 -","- C108 H132 Br8 Fe4 N28 O12 -","4","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0877","0.042","","","0.084","0.0993","","","","","","1.01","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030328","11.3371","0.0004","19.1168","0.0006","28.6754","0.0009","90","","90","","90","","6214.8","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Fe I2 N7 O3 -","- C27 H33 Fe I2 N7 O3 -","- C216 H264 Fe8 I16 N56 O24 -","8","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0505","0.0308","","","0.0603","0.0674","","","","","","1.032","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030329","10.098","0.0002","14.0077","0.0003","22.0804","0.0005","90","","94.774","0.001","90","","3112.43","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H38 Br2 Fe N7 O4 -","- C28.5 H38 Br2 Fe N7 O4 -","- C114 H152 Br8 Fe4 N28 O16 -","4","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0466","0.0338","","","0.0782","0.0833","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030330","10.3855","0.0004","20.1767","0.0008","17.4647","0.0008","90","","93.046","0.001","90","","3654.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 F6 Fe N7 O9 S2 -","- C29 H33 F6 Fe N7 O9 S2 -","- C116 H132 F24 Fe4 N28 O36 S8 -","4","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0563","0.047","","","0.1251","0.1335","","","","","","1.046","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030331","10.2032","0.0016","19.557","0.003","17.283","0.003","90","","96.879","0.008","90","","3423.9","1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 F6 Fe N7 O9 S2 -","- C29 H33 F6 Fe N7 O9 S2 -","- C116 H132 F24 Fe4 N28 O36 S8 -","4","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0621","0.0426","","","0.0975","0.1079","","","","","","1.026","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030332","13.8564","0.0005","13.9397","0.0005","17.9453","0.0006","94.418","0.002","103.112","0.002","100.035","0.002","3299.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H79 B2 Fe N9 O3 -","- C79 H79 B2 Fe N9 O3 -","- C158 H158 B4 Fe2 N18 O6 -","2","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0823","0.0472","","","0.0998","0.1124","","","","","","1.019","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030333","13.3173","0.0008","15.4235","0.001","14.8826","0.0008","90","","112.692","0.003","90","","2820.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 F6 Fe N4 O8 S2 -","- C20 H24 F6 Fe N4 O8 S2 -","- C80 H96 F24 Fe4 N16 O32 S8 -","4","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0544","0.0359","","","0.0796","0.0865","","","","","","1.042","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7052817","13.4651","0.0003","13.477","0.0003","13.6637","0.0004","98.499","0.001","93.21","0.001","98.034","0.001","2420.79","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 N2 O10 -","- C56 H64 N2 O10 -","- C112 H128 N4 O20 -","2","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.172","0.0794","","","0.1673","0.2052","","","","","","1.014","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052818","11.503","0.0003","13.4039","0.0004","14.5562","0.0005","76.3517","0.0014","82.0783","0.0015","81.4218","0.0014","2144.24","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.04 H42.59 Cl2.87 N2.54 O10 -","- C46.043 H42.586 Cl2.871 N2.543 O10 -","- C92.086 H85.172 Cl5.742 N5.086 O20 -","2","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.1077","0.0656","","0.1747","0.1499","0.1747","","","","","","1.0028","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052819","12.5858","0.0002","20.2654","0.0002","17.1345","0.0002","90","","99.8495","0.0005","90","","4305.85","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 N2 O10 -","- C52 H46 N2 O10 -","- C208 H184 N8 O40 -","4","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.0757","0.035","","0.0718","0.0393","0.0393","","","","","","1.1083","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052820","13.379","0.0001","15.0967","0.0002","20.7767","0.0003","90","","103.767","0.0005","90","","4075.89","0.09","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C46.5 H50 N3 O12 -","- C46.5 H50 N3 O12 -","- C186 H200 N12 O48 -","4","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.1113","0.0519","","0.0847","0.0595","0.0595","","","","","","1.0808","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052821","28.803","0.004","28.803","0.004","44.831","0.009","90","","90","","120","","32210","9","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H111 Cl15 N54 O76 Sm6 -","- C113.98 H84 Cl14.97 N54.005 O75.97 Sm6 -","- C683.88 H504 Cl89.82 N324.03 O455.82 Sm36 -","6","0.333333","","Wu, Xiao; Lin, Zhihua; He, Cheng; Duan, Chunying","Catalytic performance of lanthanide molecular solids containing well-modified metal‒organic octahedra","New Journal of Chemistry","2012","36","1","161","","10.1039/c1nj20736a","","","0.71073","MoKα","","0.1788","0.0791","","","0.2111","0.2605","","","","","","0.952","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052822","7.6902","0.0007","14.229","0.0015","14.8521","0.0015","91.645","0.005","90.598","0.005","90.643","0.005","1624.3","0.3","173","2","174","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 N8 O14 Pd -","- C68 H76 N8 O14 Pd -","- C68 H76 N8 O14 Pd -","1","0.5","","Cho, Youngje; Lee, Ji Ha; Jaworski, Justyn; Park, Sunhong; Lee, Shim Sung; Jung, Jong Hwa","The influence of ultrasound on porphyrin-based metallogel formation: efficient control of H- and J-type aggregations","New Journal of Chemistry","2012","36","1","32","","10.1039/c1nj20781d","","","0.71073","MoKα","","0.0444","0.042","","","0.123","0.1255","","","","","","1.111","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052823","10.5331","0.0012","12.31","0.0011","14.9616","0.0013","98.283","0.007","110.587","0.009","106.472","0.009","1676.1","0.3","150","1","150","1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C76 H62 Cl8 Cr Fe N8 -","- C76 H62 Cl8 Cr Fe N8 -","- C76 H62 Cl8 Cr Fe N8 -","1","0.5","","Konarev, Dmitri V.; Zorina, Leokadia V.; Khasanov, Salavat S.; Hakimova, El'za U.; Lyubovskaya, Rimma N.","Structure and magnetic properties of ionic compound (Cp*2Cr+)·(FeIPc−)·(C6H4Cl2)4 containing negatively charged iron phthalocyanine","New Journal of Chemistry","2012","36","1","48","","10.1039/c1nj20858f","","","0.71073","MoKα","","0.1396","0.0974","","","0.2153","0.2338","","","","","","1.071","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052824","31.823","0.007","31.823","0.007","21.495","0.005","90","","90","","120","","18852","7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","NA","","","- C132 H138 N24 O33 Ru3 -","- C120 H90 N21 O12 Ru3 -","- C720 H540 N126 O72 Ru18 -","6","0.333333","","Wang, Jin-Liang; Li, Xiaopeng; Shreiner, Carol D.; Lu, Xiaocun; Moorefield, Charles N.; Tummalapalli, Sreedhar R.; Medvetz, Douglas A.; Panzner, Matthew J.; Fronczek, Frank R.; Wesdemiotis, Chrys; Newkome, George R.","Shape-persistent, ruthenium(ii)- and iron(ii)-bisterpyridine metallodendrimers: synthesis, traveling-wave ion-mobility mass spectrometry, and photophysical properties","New Journal of Chemistry","2012","36","2","484","","10.1039/c2nj20799k","","","0.71073","MoKα","","0.0797","0.0603","","","0.1271","0.135","","","","","","0.989","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052825","7.1447","0.0009","7.5795","0.0009","13.441","0.0016","83.394","0.002","78.094","0.002","70.208","0.002","669.34","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ethyl (2Z)-2-cyano-3-((3-fluoro-4-methoxyphenyl)amino)prop-2- enoate","ethyl (2Z)-2-cyano-3-[(3-fluoro-4-methoxyphenyl)amino]prop-2-enoate","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C26 H26 F2 N4 O6 -","2","1","","Zhang, Zhenfeng; Tong, Hongbo; Wu, Yanbo; Zhang, Guisheng","C⋯π interaction of non-hydrogen bond type","New Journal of Chemistry","2012","36","1","44","","10.1039/c2nj20903a","","","0.71073","MoKα","","0.0509","0.034","","","0.0872","0.0975","","","","","","1.013","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052826","10.5897","0.0006","10.5897","0.0006","26.8588","0.0016","90","","90","","90","","3012","0.3","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C56 H40 Cl2 Cr5 N24 -","- C56 H40 Cl2 Cr5 N24 -","- C112 H80 Cl4 Cr10 N48 -","2","0.125","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Huang, Yi-Lin; Yeh, Chen-Yu; Fu, Ming-Dung; Chen, Chun-hsien; Peng, Shie-Ming","Fine tuning of pentachromium(ii) metal string complexes through elaborate design of ligand","New Journal of Chemistry","2012","36","3","632","","10.1039/c1nj20512a","","","0.71073","MoKα","","0.0813","0.0708","","","0.1664","0.1737","","","","","","1.031","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052827","10.4539","0.0002","12.7977","0.0003","25.2298","0.0005","90","","101.325","0.0013","90","","3309.66","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Cl2 Cr5 N28 -","- C52 H36 Cl2 Cr5.001 N28 -","- C104 H72 Cl4 Cr10.002 N56 -","2","0.5","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Huang, Yi-Lin; Yeh, Chen-Yu; Fu, Ming-Dung; Chen, Chun-hsien; Peng, Shie-Ming","Fine tuning of pentachromium(ii) metal string complexes through elaborate design of ligand","New Journal of Chemistry","2012","36","3","632","","10.1039/c1nj20512a","","","0.71073","MoKα","","0.0942","0.067","","","0.1874","0.2045","","","","","","0.914","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052828","14.8488","0.0002","31.4891","0.0004","15.963","0.0002","90","","95.5875","0.0006","90","","7428.44","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Cl4 Cr5 N26 S2 -","- C72 H56 Cl4 Cr5 N26 S2 -","- C288 H224 Cl16 Cr20 N104 S8 -","4","1","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Huang, Yi-Lin; Yeh, Chen-Yu; Fu, Ming-Dung; Chen, Chun-hsien; Peng, Shie-Ming","Fine tuning of pentachromium(ii) metal string complexes through elaborate design of ligand","New Journal of Chemistry","2012","36","3","632","","10.1039/c1nj20512a","","","0.71073","MoKα","","0.1169","0.0543","","","0.1443","0.1684","","","","","","1.054","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052829","10.756","0.002","5.926","0.0012","18.84","0.004","90","","99.58","0.03","90","","1184.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-pyridyl)N-benzylaminoethanol","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.8162","synchrotron","","0.0454","0.0449","","","0.1207","0.1213","","","","","","1.092","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052830","8.841","0.0018","9.053","0.0018","8.63","0.0017","90","","90","","90","","690.7","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(2-pyridyl)amino-1-ethanol","","- C7 H10 N2 O -","- C7 H10 N2 O -","- C28 H40 N8 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.71073","synchrotron","","0.0443","0.0435","","","0.1213","0.1231","","","","","","1.078","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052831","6.048","0.0012","7.315","0.0015","24.334","0.005","90","","90","","90","","1076.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-pyridyl)amino-1-phenyloethanol","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.8162","synchrotron","","0.0449","0.0442","","","0.1229","0.1238","","","","","","1.059","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052832","5.605","0.0011","20.972","0.004","9.5","0.0019","90","","108.11","0.03","90","","1061.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-pyrimidyl)amino-1-phenyloethanol","N-(2-pyrimidyl)amino-1-phenyloethanol","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.8162","synchrotron","","0.048","0.0471","","","0.1321","0.1357","","","","","","1.1","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052833","32.334","0.007","5.791","0.0012","16.392","0.003","90","","104.42","0.03","90","","2972.6","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis{N-(2-pyridyl)aminoethyl}carbonate","","- C15 H18 N4 O3 -","- C15 H18 N4 O3 -","- C120 H144 N32 O24 -","8","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.808","synchrotron","","0.0462","0.0451","","","0.1283","0.1298","","","","","","1.086","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052834","10.674","0.006","8.769","0.004","11.811","0.004","90","","116.21","0.02","90","","991.8","0.8","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","1","","Alba, Andrea-Nekane R.; Valero, Guillem; Calbet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon","Enantioselective addition of oxazolones to maleimides. An easy entry to quaternary aminoacids","New Journal of Chemistry","2012","36","3","613","","10.1039/c1nj20659a","","","0.71073","MoKα","","0.0364","0.0363","","","0.0968","0.0969","","","","","","1.27","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052835","43.982","0.011","8.85","0.002","9.627","0.002","90","","90","","90","","3747.2","1.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H8.5 N8.5 O10.5 -","- C15 H8.5 N8.5 O10.5 -","- C120 H68 N68 O84 -","8","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0928","0.0678","","","0.1268","0.1367","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052836","6.0755","0.0019","15.089","0.005","14.771","0.004","90","","90.949","0.005","90","","1353.9","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C44 H44 N20 O28 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.023","0.0228","","","0.059","0.0593","","","","","","1.104","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052837","7.863","0.0014","13.001","0.002","7.9711","0.0014","90","","111.871","0.003","90","","756.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C20 H36 N12 O12 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0412","0.0343","","","0.0877","0.0918","","","","","","1.068","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052838","7.2105","0.0015","9.615","0.002","10.265","0.002","78.308","0.003","82.099","0.004","85.773","0.004","689.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,3-dimethylimidazolium picrate","","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C22 H22 N10 O14 -","2","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0592","0.0472","","","0.1224","0.1305","","","","","","1.044","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052839","6.2866","0.001","11.646","0.002","10.3067","0.0017","90","","93.367","0.003","90","","753.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H7 N7 O11 -","- C10 H7 N7 O11 -","- C20 H14 N14 O22 -","2","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0255","0.0236","","","0.0558","0.0581","","","","","","0.506","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052840","8.957","0.007","9.917","0.007","7.143","0.006","90","","96.046","0.012","90","","631","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-methyl-3-H-imidazolium nitrate","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0415","0.0347","","","0.088","0.0929","","","","","","0.985","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052841","8.018","0.002","5.8847","0.0015","27.215","0.007","90","","94.798","0.005","90","","1279.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-methyl-3-H-imidazolium picrate","","","- C10 H9 N5 O7 -","- C10 H9 N5 O7 -","- C40 H36 N20 O28 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0909","0.058","","","0.1107","0.1216","","","","","","1.072","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052842","7.25","0.002","9.107","0.003","11.946","0.004","83.27","0.005","74.608","0.005","79.684","0.005","746.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N5 O7 -","- C12 H13 N5 O7 -","- C24 H26 N10 O14 -","2","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.04","0.0352","","","0.0887","0.0913","","","","","","1.054","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052843","11.0164","0.0017","11.8961","0.0018","18.841","0.003","81.814","0.003","84.93","0.003","69.902","0.003","2293.1","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C127.5 H84 Cl N4 O0.8 -","- C127.5 H84 Cl N4 O0.8 -","- C127.5 H84 Cl N4 O0.8 -","1","0.5","","Zhou, Xie; Li, Haiyin; Chi, Zhenguo; Zhang, Xiqi; Zhang, Jianyong; Xu, Bingjia; Zhang, Yi; Liu, Siwei; Xu, Jiarui","Piezofluorochromism and morphology of a new aggregation-induced emission compound derived from tetraphenylethylene and carbazole","New Journal of Chemistry","2012","36","3","685","","10.1039/c1nj20782b","","","0.71073","MoKα","","0.1071","0.0581","","","0.1601","0.1972","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052844","8.2045","0.0016","11.888","0.002","17.949","0.004","90","","99.79","0.03","90","","1725.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marc Fourmigue","","","- C13 H20 O5 S4 -","- C13 H20 O5 S4 -","- C52 H80 O20 S16 -","4","1","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc","Dithiolene complexes as metallo-ligands: a crown-ether approach","New Journal of Chemistry","2012","36","3","638","","10.1039/c1nj20870e","","","0.71073","MoKα","","0.0691","0.0357","","","0.075","0.0916","","","","","","1.088","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052845","23.6588","0.0014","10.192","0.0006","17.5265","0.0012","90","","127.742","0.002","90","","3342","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Na Ni O8 S8 -","- C24 H40 Na Ni O8 S8 -","- C96 H160 Na4 Ni4 O32 S32 -","4","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc","Dithiolene complexes as metallo-ligands: a crown-ether approach","New Journal of Chemistry","2012","36","3","638","","10.1039/c1nj20870e","","x-ray","0.71073","MoKα","","0.0829","0.0417","","","0.1053","0.1568","","","","","","1.044","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052846","13.4074","0.0004","14.0031","0.0004","19.1875","0.0006","90","","104.593","0.001","90","","3486.15","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Ni1.5 O8.5 S8 -","- C24 H40 Ni1.5 O8.5 S8 -","- C96 H160 Ni6 O34 S32 -","4","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc","Dithiolene complexes as metallo-ligands: a crown-ether approach","New Journal of Chemistry","2012","36","3","638","","10.1039/c1nj20870e","","x-ray","0.71073","MoKα","","0.0637","0.0528","","","0.1552","0.1811","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052847","9.1918","0.0004","9.5486","0.0004","10.6697","0.0004","67.459","0.001","74.151","0.002","84.463","0.002","832.01","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Ni O8 S8 -","- C24 H40 Ni O8 S8 -","- C24 H40 Ni O8 S8 -","1","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc","Dithiolene complexes as metallo-ligands: a crown-ether approach","New Journal of Chemistry","2012","36","3","638","","10.1039/c1nj20870e","","","0.71073","MoKα","","0.0263","0.0233","","","0.0685","0.0809","","","","","","1.206","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052848","7.4285","0.0004","5.748","0.0002","7.6305","0.0004","90","","118.462","0.006","90","","286.43","0.03","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H6 N2 -","- C7 H6 N2 -","- C14 H12 N4 -","2","1","","González, J. J. L.; Ureña, F. P.; Moreno, J. R. A.; Mata, I.; Molins, E.; Claramunt, R. M.; López, C.; Alkorta, I.; Elguero, J.","The chiral structure of 1H-indazoles in the solid state: a crystallographic, vibrational circular dichroism and computational study","New Journal of Chemistry","2012","36","3","749","","10.1039/c2nj20820b","","","1.5418","CuKα","","0.0477","0.0475","","","0.1297","0.1298","","","","","","1.134","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052849","4.5663","0.0002","9.6254","0.0005","30.3857","0.0014","90","","91.668","0.005","90","","1334.96","0.11","105","","105","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Seifert, Susan; Seifert, Andreas; Brunklaus, Gunther; Hofmann, Katja; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Probing the surface polarity of inorganic oxides using merocyanine-type dyes derived from barbituric acid","New Journal of Chemistry","2012","36","3","674","","10.1039/c2nj20835k","","","1.54184","CuKα","","0.0694","0.0565","","","0.146","0.153","","","","","","0.958","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052850","14.8274","0.0003","15.2591","0.0003","14.0991","0.0003","90","","106.703","0.001","90","","3055.37","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N2 O Si2 -","- C28 H44 N2 O Si2 -","- C112 H176 N8 O4 Si8 -","4","1","","Coombs, Benjamin A.; Lindner, Benjamin D.; Edkins, Robert M.; Rominger, Frank; Beeby, Andrew; Bunz, Uwe H. F.","Photophysical property trends for a homologous series of bis-ethynyl-substituted benzochalcogendiazoles","New Journal of Chemistry","2012","36","3","550","","10.1039/c2nj20847d","","","0.71073","MoKα","","0.0906","0.0628","","","0.1687","0.1935","","","","","","1.041","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052851","14.336","0.0014","14.9701","0.0015","14.9722","0.0016","90","","97.892","0.002","90","","3182.8","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N2 S Si2 -","- C28 H44 N2 S Si2 -","- C112 H176 N8 S4 Si8 -","4","1","","Coombs, Benjamin A.; Lindner, Benjamin D.; Edkins, Robert M.; Rominger, Frank; Beeby, Andrew; Bunz, Uwe H. F.","Photophysical property trends for a homologous series of bis-ethynyl-substituted benzochalcogendiazoles","New Journal of Chemistry","2012","36","3","550","","10.1039/c2nj20847d","","","0.71073","MoKα","","0.1112","0.0728","","","0.2099","0.2437","","","","","","1.035","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052852","14.751","0.003","14.938","0.003","15.035","0.003","90","","105.604","0.005","90","","3190.9","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N2 Se Si2 -","- C28 H44 N2 Se Si2 -","- C112 H176 N8 Se4 Si8 -","4","1","","Coombs, Benjamin A.; Lindner, Benjamin D.; Edkins, Robert M.; Rominger, Frank; Beeby, Andrew; Bunz, Uwe H. F.","Photophysical property trends for a homologous series of bis-ethynyl-substituted benzochalcogendiazoles","New Journal of Chemistry","2012","36","3","550","","10.1039/c2nj20847d","","","0.71073","MoKα","","0.0711","0.0485","","","0.1217","0.1348","","","","","","1.05","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052853","27.455","0.007","36.891","0.009","9.656","0.002","90","","90","","90","","9780","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H26 N2 O13 -","- C22 H16 N2 O8 -","- C352 H256 N32 O128 -","16","1","","Hill, Yennifer; Linares, Maholy; Briceño, Alexander","Combining topochemical [2+2] photoreactions and hydrothermal isomerisation for the regioselective and quantitative preparation ofrtct-pyridylcyclobutanes","New Journal of Chemistry","2012","36","3","554","","10.1039/c2nj20855e","","","0.7107","MoKα","","0.0664","0.0578","","","0.1561","0.1635","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052854","11.207","0.0018","10.5278","0.0015","17.198","0.003","90","","96.718","0.004","90","","2015.2","0.6","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C44 H34.56 N4 O17.28 -","- C44 H34.556 N4 O17.278 -","- C88 H69.112 N8 O34.556 -","2","0.5","","Hill, Yennifer; Linares, Maholy; Briceño, Alexander","Combining topochemical [2+2] photoreactions and hydrothermal isomerisation for the regioselective and quantitative preparation ofrtct-pyridylcyclobutanes","New Journal of Chemistry","2012","36","3","554","","10.1039/c2nj20855e","","","0.7107","MoKα","","0.0789","0.0581","","","0.1503","0.1665","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052855","10.254","0.003","10.381","0.003","13.085","0.005","86.63","0.03","87.56","0.03","75.388","0.017","1344.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H47.24 Cl4 N4 O8.62 -","- C62 H46 Cl4 N4 O8.62 -","- C62 H46 Cl4 N4 O8.62 -","1","0.5","","Hill, Yennifer; Linares, Maholy; Briceño, Alexander","Combining topochemical [2+2] photoreactions and hydrothermal isomerisation for the regioselective and quantitative preparation ofrtct-pyridylcyclobutanes","New Journal of Chemistry","2012","36","3","554","","10.1039/c2nj20855e","","","0.7107","MoKα","","0.0649","0.0524","","","0.1413","0.1538","","","","","","1.045","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052856","9.6451","0.0011","9.7718","0.0011","13.576","0.0013","99.752","0.008","98.148","0.008","115.368","0.008","1106","0.2","230","","230","","","","","","","","","5","P -1","-P 1","2","1,5-bis(benzimidazolonium)pentane bis(dihydrogenophosphate)","1,5-bis(benzimidazolonium)pentane bis(dihydrogenophosphate)","","- C19 H26 N4 O8 P2 -","- C19 H26 N4 O8 P2 -","- C38 H52 N8 O16 P4 -","2","1","","Clifford, Sarah E.; Runowski, Marcin; Parthasarathy, Nalini; Besnard, Céline; Melich, Xavier; Williams, Alan F.","Unusual solidification and phosphate binding to benzimidazole cations in the presence of water","New Journal of Chemistry","2012","36","3","823","","10.1039/c2nj20897k","","","0.71073","MoKα","","0.055","0.0384","","0.0613","0.0573","0.0613","","","","","","1.0613","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052857","6.9865","0.0008","17.368","0.001","15.847","0.001","90","","94.68","0.03","90","","1916.5","0.3","220","","200","","","","","","","","","5","P 1 n 1","P -2yac","7","1,2-bis(benzimidazolonium)ethane sulphate trihydrate","1,2-bis(benzimidazolonium)ethane sulphate trihydrate","","- C34 H48 N8 O14 S2 -","- C34 H48 N8 O14 S2 -","- C68 H96 N16 O28 S4 -","2","1","","Clifford, Sarah E.; Runowski, Marcin; Parthasarathy, Nalini; Besnard, Céline; Melich, Xavier; Williams, Alan F.","Unusual solidification and phosphate binding to benzimidazole cations in the presence of water","New Journal of Chemistry","2012","36","3","823","","10.1039/c2nj20897k","","","0.71073","MoKα","","0.0388","0.0356","","0.0536","0.053","0.0536","","","","","","1.702","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052858","9.8599","0.0005","12.9049","0.0008","18.8173","0.0006","95.255","0.004","103.115","0.004","102.98","0.005","2246.5","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","Bis(1,5-bis(benzimidazolonium)pentane) bis(dihydrogenophosphate)monohydrogenophosphate tetrahydrate","Bis(1,5-bis(benzimidazolonium)pentane) bis(dihydrogenophosphate)monohydrogenophosphate tetrahydrate","","- C38 H57 N8 O16 P3 -","- C38 H57 N8 O16 P3 -","- C76 H114 N16 O32 P6 -","2","1","","Clifford, Sarah E.; Runowski, Marcin; Parthasarathy, Nalini; Besnard, Céline; Melich, Xavier; Williams, Alan F.","Unusual solidification and phosphate binding to benzimidazole cations in the presence of water","New Journal of Chemistry","2012","36","3","823","","10.1039/c2nj20897k","","","1.5418","CuKα","","0.0415","0.0385","","","0.1075","0.1114","","","","","","1.021","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052859","7.5072","0.0014","9.1676","0.0017","10.705","0.002","79.845","0.004","84.056","0.004","72.958","0.003","692.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Au Cl N3 -","- C14 H13 Au Cl N3 -","- C28 H26 Au2 Cl2 N6 -","2","1","","Adhikary, Sirsendu Das; Bose, Dipayan; Mitra, Partha; Saha, Krishna Das; Bertolasi, Valerio; Dinda, Joydev","Au(i)- and Pt(ii)-N-heterocyclic carbene complexes with picoline functionalized benzimidazolin-2-ylidene ligands; synthesis, structures, electrochemistry and cytotoxicity studies","New Journal of Chemistry","2012","36","3","759","","10.1039/c2nj20928d","","","0.71073","MoKα","","0.0371","0.0356","","","0.0966","0.0976","","","","","","1.139","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052860","15.6488","0.0011","13.2247","0.0011","7.1603","0.0005","90","","99.624","0.002","90","","1460.97","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H13 Cl2 N3 Pt -","- C14 H13 Cl2 N3 Pt -","- C56 H52 Cl8 N12 Pt4 -","4","1","","Adhikary, Sirsendu Das; Bose, Dipayan; Mitra, Partha; Saha, Krishna Das; Bertolasi, Valerio; Dinda, Joydev","Au(i)- and Pt(ii)-N-heterocyclic carbene complexes with picoline functionalized benzimidazolin-2-ylidene ligands; synthesis, structures, electrochemistry and cytotoxicity studies","New Journal of Chemistry","2012","36","3","759","","10.1039/c2nj20928d","","","0.71073","MoKα","","0.0371","0.028","","","0.0502","0.054","","","","","","0.884","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052861","14.606","0.001","14.212","0.001","25.06","0.002","90","","106.091","0.007","90","","4998.2","0.7","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 B Br2 F2 N3 S2 -","- C28 H16 B Br2 F2 N3 S2 -","- C224 H128 B8 Br16 F16 N24 S16 -","8","2","","Bellier, Quentin; Dalier, Fabrice; Jeanneau, Erwann; Maury, Olivier; Andraud, Chantal","Thiophene-substituted aza-bodipy as a strategic synthon for the design of near-infrared dyes","New Journal of Chemistry","2012","36","3","768","","10.1039/c2nj20943h","","","1.5418","CuKα","","0.0418","0.0402","","0.1129","0.1118","0.1129","","","","","","1.0071","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052862","15.5428","0.0004","16.207","0.0005","28.1062","0.0009","78.135","0.002","88.922","0.002","62.066","0.002","6096.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H92 O14 -","- C64 H92 O14 -","- C256 H368 O56 -","4","2","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1516","0.0792","","","0.1761","0.2167","","","","","","1.063","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052863","14.0441","0.0005","16.3664","0.0006","16.578","0.0006","99.948","0.002","104.812","0.002","112.067","0.002","3256.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H100 O14 -","- C68 H100 O14 -","- C136 H200 O28 -","2","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1294","0.0852","","","0.2238","0.2614","","","","","","1.025","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052864","36.7201","0.0007","19.6013","0.0005","19.4874","0.0006","90","","116.801","0.001","90","","12519.6","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 F12 K2 O14 P2 -","- C56 H76 F12 K2 O14 P2 -","- C448 H608 F96 K16 O112 P16 -","8","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1319","0.0788","","","0.2001","0.2399","","","","","","1.029","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052865","12.5169","0.0003","17.8145","0.0005","18.0005","0.0005","70.468","0.0019","79.987","0.0016","82.768","0.0014","3715.26","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H98 Cs2 F12 O17 P2 -","- C64 H96 Cs2 F12 O17 P2 -","- C128 H192 Cs4 F24 O34 P4 -","2","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.0482","0.0449","","","0.1125","0.1152","","","","","","1.044","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052866","10.1107","0.0005","17.0139","0.001","22.9177","0.0011","109.33","0.003","95.789","0.003","89.952","0.003","3698.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H100 F12 K2 O14 P2 -","- C68 H100 F12 K2 O14 P2 -","- C136 H200 F24 K4 O28 P4 -","2","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1565","0.0969","","","0.2355","0.2834","","","","","","1.074","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052867","10.4675","0.0004","16.8329","0.0007","27.588","0.001","96.549","0.002","97.404","0.002","93.961","0.002","4771.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H140 Cs2 F12 O14 P2 -","- C88 H140 Cs2 F12 O14 P2 -","- C176 H280 Cs4 F24 O28 P4 -","2","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1581","0.0824","","","0.1649","0.2038","","","","","","1.056","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052868","9.1783","0.0017","11.032","0.002","14.83","0.003","108.315","0.012","90.603","0.01","100.772","0.009","1396.6","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 N4 -","- C40 H32 N4 -","- C80 H64 N8 -","2","1","","Sarkar, Parantap; Jeon, Ie-Rang; Durola, Fabien; Bock, Harald","Tetraazaarenes by the ceramidonine approach","New Journal of Chemistry","2012","36","3","570","","10.1039/c2nj21033a","","","0.71073","MoKα","","0.1629","0.0721","","","0.1831","0.2308","","","","","","0.984","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052869","18.669","0.005","18.669","0.005","16.853","0.005","90","0.005","90","0.005","120","0.005","5087","2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H16 N2 -","- C13 H16 N2 -","- C234 H288 N36 -","18","1","","Sarkar, Parantap; Jeon, Ie-Rang; Durola, Fabien; Bock, Harald","Tetraazaarenes by the ceramidonine approach","New Journal of Chemistry","2012","36","3","570","","10.1039/c2nj21033a","","","0.71073","MoKα","","0.0522","0.043","","","0.1245","0.1388","","","","","","1.049","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052870","11.524","0.005","9.41","0.005","9.133","0.005","90","","90","","90","","990.4","0.9","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","cobaltocenium triiodide","","","- C10 H10 Co I -","- C10 H10 Co I -","- C40 H40 Co4 I4 -","4","0.25","","Diana, Eliano; Chierotti, Michele R.; Marchese, Edoardo M. C.; Croce, Gianluca; Milanesio, Marco; Stanghellini, Pier Luigi","Blue and red shift hydrogen bonds in crystalline cobaltocinium complexes","New Journal of Chemistry","2012","36","4","1099","","10.1039/c2nj20760e","","","0.71073","MoKα","","0.0364","0.0356","","","0.1089","0.1095","","","","","","1.32","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052871","9.2135","0.0014","9.2135","0.0014","12.344","0.0011","90","","90","","120","","907.5","0.2","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","cobaltocenium hexafluoridophosphate","","","- C10 H10 Co F6 Sb -","- C10 H10 Co F6 Sb -","- C30 H30 Co3 F18 Sb3 -","3","0.5","","Diana, Eliano; Chierotti, Michele R.; Marchese, Edoardo M. C.; Croce, Gianluca; Milanesio, Marco; Stanghellini, Pier Luigi","Blue and red shift hydrogen bonds in crystalline cobaltocinium complexes","New Journal of Chemistry","2012","36","4","1099","","10.1039/c2nj20760e","","","0.71073","MoKα","","0.0303","0.0286","","","0.0726","0.0741","","","","","","0.963","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052872","9.7276","0.0018","10.3244","0.0019","16.045","0.003","106.364","0.003","100.64","0.003","99.983","0.003","1475.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 Cu2 F18 N4 Ni4 O22 -","- C38 H58 Cu2 F18 N4 Ni4 O22 -","- C38 H58 Cu2 F18 N4 Ni4 O22 -","1","0.5","","Sultan, Muhammad; Tahir, Asif Ali; Mazhar, Muhammad; Zeller, Matthias; Wijayantha, K. G. Upul","Hexanuclear copper‒nickel and copper‒cobalt complexes for thin film deposition of ceramic oxide composites","New Journal of Chemistry","2012","36","4","911","","10.1039/c2nj20789c","","","0.71073","MoKα","","0.0445","0.0363","","","0.0985","0.1087","","","","","","1.087","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052873","9.7417","0.0011","10.3399","0.0012","16.1733","0.0018","106.594","0.002","100.096","0.002","99.876","0.002","1494.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 Co4 Cu2 F18 N4 O22 -","- C38 H58 Co4 Cu2 F18 N4 O22 -","- C38 H58 Co4 Cu2 F18 N4 O22 -","1","0.5","","Sultan, Muhammad; Tahir, Asif Ali; Mazhar, Muhammad; Zeller, Matthias; Wijayantha, K. G. Upul","Hexanuclear copper‒nickel and copper‒cobalt complexes for thin film deposition of ceramic oxide composites","New Journal of Chemistry","2012","36","4","911","","10.1039/c2nj20789c","","","0.71073","MoKα","","0.0464","0.0391","","","0.1033","0.1078","","","","","","1.166","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052874","9.6376","0.0004","13.6428","0.0006","29.0057","0.0009","101.577","0.002","91.754","0.002","104.734","0.002","3599.9","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H44 N4 O3 -","- C45 H44 N4 O3 -","- C180 H176 N16 O12 -","4","2","","Eseola, Abiodun O.; Adepitan, Oluseyi; Görls, Helmar; Plass, Winfried","Electronic/substituents influence on imidazole ring donor‒acceptor capacities using 1H-imidazo[4,5-f][1,10]phenanthroline frameworks","New Journal of Chemistry","2012","36","4","891","","10.1039/c2nj20880f","","","0.71073","MoKα","","0.1226","0.089","","","0.1584","0.1773","","","","","","1.202","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052875","14.181","0.003","12.54","0.003","16.598","0.003","90","","107.48","0.03","90","","2815.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 N4 O -","- C37 H28 N4 O -","- C148 H112 N16 O4 -","4","1","","Eseola, Abiodun O.; Adepitan, Oluseyi; Görls, Helmar; Plass, Winfried","Electronic/substituents influence on imidazole ring donor‒acceptor capacities using 1H-imidazo[4,5-f][1,10]phenanthroline frameworks","New Journal of Chemistry","2012","36","4","891","","10.1039/c2nj20880f","","","0.71073","MoKα","","0.1106","0.0699","","","0.1472","0.1759","","","","","","1.136","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052876","12.3937","0.0007","19.33","0.0009","17.2992","0.0007","90","","95.75","","90","","4123.5","0.3","187","2","187","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Ag4 N6 O16 -","- C34 H40 Ag4 N6 O16 -","- C136 H160 Ag16 N24 O64 -","4","1","","Song, Xue-Zhi; Qin, Chao; Guan, Wei; Song, Shu-Yan; Zhang, Hong-Jie","An unusual three-dimensional self-penetrating network derived from cross-linking of two-fold interpenetrating nets via ligand-unsupported Ag‒Ag bonds: synthesis, structure, luminescence, and theoretical study","New Journal of Chemistry","2012","36","4","877","","10.1039/c2nj20888a","","","0.71073","MoKα","","0.0716","0.0396","","","0.0798","0.0933","","","","","","1.022","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052877","7.6395","0.0004","21.1972","0.0011","9.8455","0.0005","90","","97.683","0.001","90","","1580.03","0.14","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O6 -","- C18 H15 N3 O6 -","- C72 H60 N12 O24 -","4","1","","Song, Xue-Zhi; Qin, Chao; Guan, Wei; Song, Shu-Yan; Zhang, Hong-Jie","An unusual three-dimensional self-penetrating network derived from cross-linking of two-fold interpenetrating nets via ligand-unsupported Ag‒Ag bonds: synthesis, structure, luminescence, and theoretical study","New Journal of Chemistry","2012","36","4","877","","10.1039/c2nj20888a","","","0.71073","MoKα","","0.0751","0.0656","","","0.235","0.2431","","","","","","1.068","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052878","33.741","0.006","17.823","0.003","21.667","0.004","90","","90","","90","","13030","4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C72 H88 N6 O9 -","- C72 H88 N6 O9 -","- C576 H704 N48 O72 -","8","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1104","0.0899","","","0.2024","0.215","","","","","","1.198","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052879","10.1151","0.0018","12.632","0.002","20.705","0.004","106.85","0.003","90.681","0.003","103.566","0.003","2452.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cl6 N4 O6 -","- C52 H42 Cl6 N4 O6 -","- C104 H84 Cl12 N8 O12 -","2","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1182","0.088","","","0.2291","0.2498","","","","","","1.049","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052880","28.539","0.004","17.712","0.002","36.055","0.004","90","","90","","90","","18225","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O6 -","- C56 H52 N4 O6 -","- C896 H832 N64 O96 -","16","2","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.135","0.0967","","","0.1662","0.1797","","","","","","1.186","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052881","15.4628","0.0009","24.0204","0.0016","13.4669","0.0009","90","","103.638","0.001","90","","4860.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 Cl4 Hg2 N4 O7 -","- C51 H44 Cl4 Hg2 N4 O7 -","- C204 H176 Cl16 Hg8 N16 O28 -","4","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1067","0.0656","","","0.1847","0.2121","","","","","","1.031","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052882","15.618","0.004","17.009","0.004","19.256","0.005","90","","95.062","0.004","90","","5095","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Cl5 Hg N4 O7 -","- C57 H53 Cl5 Hg N4 O7 -","- C228 H212 Cl20 Hg4 N16 O28 -","4","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1703","0.1255","","","0.2909","0.3127","","","","","","1.127","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052883","9.5611","0.001","24.392","0.003","20.327","0.002","90","","91.353","0.003","90","","4739.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 N5 Nd Si6 -","- C31 H76 N5 Nd Si6 -","- C124 H304 N20 Nd4 Si24 -","4","1","","Wang, Yibin; Luo, Yunjie; Chen, Jue; Xue, Hanming; Liang, Hongze","Synthesis of mono(guanidinate) rare earth metal bis(amide) complexes and their performance in the ring-opening polymerization of l-lactide and rac-lactide","New Journal of Chemistry","2012","36","4","933","","10.1039/c2nj20925j","","","0.7107","MoKα","","0.0769","0.0543","","","0.1071","0.1166","","","","","","1.12","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052884","9.6391","0.0014","24.143","0.004","20.157","0.003","90","","91.219","0.003","90","","4689.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 Lu N5 Si6 -","- C31 H76 Lu N5 Si6 -","- C124 H304 Lu4 N20 Si24 -","4","1","","Wang, Yibin; Luo, Yunjie; Chen, Jue; Xue, Hanming; Liang, Hongze","Synthesis of mono(guanidinate) rare earth metal bis(amide) complexes and their performance in the ring-opening polymerization of l-lactide and rac-lactide","New Journal of Chemistry","2012","36","4","933","","10.1039/c2nj20925j","","","0.7107","MoKα","","0.0518","0.0419","","","0.0843","0.0881","","","","","","1.173","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052885","9.5883","0.0016","24.23","0.004","20.194","0.003","90","","91.177","0.005","90","","4690.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 N5 Si6 Y -","- C31 H76 N5 Si6 Y -","- C124 H304 N20 Si24 Y4 -","4","1","","Wang, Yibin; Luo, Yunjie; Chen, Jue; Xue, Hanming; Liang, Hongze","Synthesis of mono(guanidinate) rare earth metal bis(amide) complexes and their performance in the ring-opening polymerization of l-lactide and rac-lactide","New Journal of Chemistry","2012","36","4","933","","10.1039/c2nj20925j","","","0.7107","MoKα","","0.1394","0.107","","","0.1692","0.1803","","","","","","1.272","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052886","12.0258","0.0013","19.1155","0.0019","20.642","0.002","75.965","0.005","87.006","0.006","85.555","0.006","4586.9","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H76 N5 O Si6 Y -","- C31 H76 N5 O Si6 Y -","- C124 H304 N20 O4 Si24 Y4 -","4","2","","Wang, Yibin; Luo, Yunjie; Chen, Jue; Xue, Hanming; Liang, Hongze","Synthesis of mono(guanidinate) rare earth metal bis(amide) complexes and their performance in the ring-opening polymerization of l-lactide and rac-lactide","New Journal of Chemistry","2012","36","4","933","","10.1039/c2nj20925j","","","0.71075","MoKα","","0.1048","0.0753","","","0.1266","0.1381","","","","","","1.141","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052887","13.912","0.004","31.687","0.009","15.107","0.004","90","","94.072","0.004","90","","6643","3","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H56 Fe Mo6 N2 O19 -","- C30 H56 Fe Mo6 N2 O19 -","- C180 H336 Fe6 Mo36 N12 O114 -","6","3","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.13","0.0808","","","0.2007","0.2358","","","","","","1.008","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052888","10.9641","0.0009","12.2111","0.001","13.3301","0.0011","82.048","0.001","69.008","0.001","63.409","0.001","1489.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Fe2 Mo6 O19 P2 -","- C58 H52 Fe2 Mo6 O19 P2 -","- C58 H52 Fe2 Mo6 O19 P2 -","1","0.5","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.0335","0.0275","","","0.0653","0.0702","","","","","","1.05","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052889","10.959","0.002","12.295","0.004","13.315","0.003","79.488","0.004","69.27","0.002","63.598","0.002","1502.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Fe2 O19 P2 W6 -","- C58 H52 Fe2 O19 P2 W6 -","- C58 H52 Fe2 O19 P2 W6 -","1","0.5","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.0431","0.0348","","","0.0782","0.0846","","","","","","1.042","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052890","12.8828","0.001","12.9682","0.001","25.7657","0.0019","90","","99.404","0.001","90","","4246.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Fe4 Mo12 N4 O40 P -","- C60 H88 Fe4 Mo12 N4 O40 P -","- C120 H176 Fe8 Mo24 N8 O80 P2 -","2","0.5","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.0421","0.0354","","","0.0766","0.0809","","","","","","1.074","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052891","10.4784","0.0014","17.878","0.002","18.967","0.0018","71.198","0.001","87.749","0.003","76.002","0.002","3260.8","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H68 Cr Mn3 N12 O12 -","- C61 H68 Cr Mn3 N12 O12 -","- C122 H136 Cr2 Mn6 N24 O24 -","2","1","","Shen, Xiaoping; Zhang, Qian; Zhou, Hongbo; Zhou, Hu; Yuan, Aihua","Syntheses, crystal structures and magnetic properties of two low-dimensional cyano-bridged CrIII‒MnII/III assemblies","New Journal of Chemistry","2012","36","5","1180","","10.1039/c2nj20966g","","","0.71073","MoKα","","0.0818","0.0534","","","0.0998","0.1043","","","","","","1.093","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052892","10.1986","0.0012","18.9137","0.0013","13.8337","0.0019","90","","90","","90","","2668.4","0.5","291","2","291","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C46 H38 Cl Cr Mn2 N14 O3 -","- C46 H38 Cl Cr Mn2 N14 O3 -","- C92 H76 Cl2 Cr2 Mn4 N28 O6 -","2","0.5","","Shen, Xiaoping; Zhang, Qian; Zhou, Hongbo; Zhou, Hu; Yuan, Aihua","Syntheses, crystal structures and magnetic properties of two low-dimensional cyano-bridged CrIII‒MnII/III assemblies","New Journal of Chemistry","2012","36","5","1180","","10.1039/c2nj20966g","","","0.71073","MoKα","","0.0739","0.057","","","0.1047","0.1078","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052893","12.036","0.005","23.769","0.009","10.114","0.004","90","","99.954","0.006","90","","2850","2","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cl2 N2 O2 -","- C15 H8 Cl2 N2 O2 -","- C120 H64 Cl16 N16 O16 -","8","2","","Batista, Victor S.; Crabtree, Robert H.; Konezny, Steven J.; Luca, Oana R.; Praetorius, Jeremy M.","Oxidative functionalization of benzylic C‒H bonds by DDQ","New Journal of Chemistry","2012","36","5","1141","","10.1039/c2nj40021a","","","0.71075","MoKα","","","0.0568","","","","0.1481","","","","","","1.045","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052894","8.197","0.0008","12.4418","0.00014","21.9418","0.0003","90","","90","","90","","2237.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 B Zr -","- C13 H15 B Zr -","- C104 H120 B8 Zr8 -","8","1","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes ‒ evaluation of potential η6‒η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","1.54184","CuKα","","0.0187","0.018","","","0.0475","0.048","","","","","","1.088","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052895","10.5081","0.0002","11.2379","0.0004","14.8903","0.0004","90","","90","","90","","1758.38","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B N2 Zr -","- C20 H25 B N2 Zr -","- C80 H100 B4 N8 Zr4 -","4","1","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes ‒ evaluation of potential η6‒η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","0.71073","MoKα","","0.0298","0.0236","","","0.0449","0.0466","","","","","","1.06","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052896","17.093","0.0004","15.9788","0.0002","12.2654","0.0002","90","","108.696","0.002","90","","3173.22","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 B P Zr -","- C16 H24 B P Zr -","- C128 H192 B8 P8 Zr8 -","8","2","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes ‒ evaluation of potential η6‒η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","1.54184","CuKα","","0.0372","0.0316","","","0.0809","0.0838","","","","","","1.061","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052897","17.5992","0.0006","8.0986","0.0003","11.9967","0.0005","90","","102.029","0.004","90","","1672.33","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 B Si Zr -","- C17 H21 B Si Zr -","- C68 H84 B4 Si4 Zr4 -","4","1","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes ‒ evaluation of potential η6‒η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","1.54184","CuKα","","0.0642","0.0567","","","0.1505","0.1571","","","","","","1.064","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052898","12.1722","0.0007","6.1586","0.0003","12.0356","0.0006","90","","90.762","0.003","90","","902.15","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl F5 N -","- C7 H5 Cl F5 N -","- C28 H20 Cl4 F20 N4 -","4","1","","Giese, Michael; Albrecht, Markus; Wiemer, Katharina; Valkonen, Arto; Rissanen, Kari","Controlling the position of anions relative to a pentafluorophenyl group","New Journal of Chemistry","2012","36","6","1368","","10.1039/c2nj40089h","","","0.71073","MoKα","","0.0482","0.0366","","","0.0853","0.0895","","","","","","1.026","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052899","14.8569","0.0005","5.4919","0.0003","23.4876","0.001","90","","90","","90","","1916.41","0.15","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H7 Cl F5 N -","- C8 H7 Cl F5 N -","- C64 H56 Cl8 F40 N8 -","8","2","","Giese, Michael; Albrecht, Markus; Wiemer, Katharina; Valkonen, Arto; Rissanen, Kari","Controlling the position of anions relative to a pentafluorophenyl group","New Journal of Chemistry","2012","36","6","1368","","10.1039/c2nj40089h","","","0.71073","MoKα","","0.0622","0.0462","","","0.1098","0.1201","","","","","","1.048","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052900","10.369","0.007","12.645","0.009","14.307","0.009","102.839","0.013","92.253","0.014","102.395","0.011","1779","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Catena-(bis(mu2-4,4-trimethylenedipyridine)) copper(ii) dinitrate 1,2-dichlorobenzene methanol solvate","Catena-(bis(mu2-4,4-trimethylenedipyridine)) copper(ii) dinitrate 1,2-dichlorobenzene methanol solvate","","- C33.75 H39 Cl2 Cu N6 O7.75 -","- C33.75 H39 Cl2 Cu N6 O7.75 -","- C67.5 H78 Cl4 Cu2 N12 O15.5 -","2","1","","Liu, Shisi; Ananthoji, Ramakanth; Han, Sungyub; Knudsen, Bernard; Li, Xiao; Wojtas, Lukasz; Massing, Justin; Gauthier, Carmen Valdez; Harmon, Julie P.","Poly(methyl methacrylate) composites of copper-4,4′-trimethylenedipyridine","New Journal of Chemistry","2012","36","7","1449","","10.1039/c2nj20745a","","","0.71073","MoKα","","0.1486","0.0771","","","0.1639","0.193","","","","","","1.013","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052901","9.5655","0.0009","8.3881","0.0007","10.9272","0.0011","90","","91.718","0.008","90","","876.36","0.14","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sodium 1-(Carboxylatomethyl-3,5-diaminotriazole dihydrate)","Sodium 1-(Carboxylatomethyl-3,5-diaminotriazole dihydrate)","","- C4 H10 N5 Na O4 -","- C4 H10 N5 Na O4 -","- C16 H40 N20 Na4 O16 -","4","1","","Klapötke, Thomas M.; Nordheider, Andreas; Stierstorfer, Jörg","Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole","New Journal of Chemistry","2012","36","7","1463","","10.1039/c2nj40044h","","","0.71073","MoKα","","0.0547","0.0313","","","0.0492","0.0519","","","","","","0.801","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052902","5.9153","0.0005","9.196","0.0008","9.4344","0.0008","93.949","0.007","90.503","0.007","104.609","0.007","495.25","0.08","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N7 O6 -","- C4 H7 N7 O6 -","- C8 H14 N14 O12 -","2","1","","Klapötke, Thomas M.; Nordheider, Andreas; Stierstorfer, Jörg","Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole","New Journal of Chemistry","2012","36","7","1463","","10.1039/c2nj40044h","","","0.71073","MoKα","","0.0625","0.0322","","","0.0513","0.0556","","","","","","0.802","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052903","10.3123","0.0007","6.8821","0.0005","12.2305","0.0009","90","","98.873","0.007","90","","857.61","0.11","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N8 O4 -","- C4 H4 N8 O4 -","- C16 H16 N32 O16 -","4","1","","Klapötke, Thomas M.; Nordheider, Andreas; Stierstorfer, Jörg","Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole","New Journal of Chemistry","2012","36","7","1463","","10.1039/c2nj40044h","","","0.71073","MoKα","","0.0557","0.033","","","0.0665","0.0705","","","","","","0.859","","","","has coordinates","276334","2022-06-28","15:34:06",""
"7052904","23.681","0.008","4.9756","0.0018","33.914","0.012","90","","94.726","0.005","90","","3982","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C192 H176 O32 -","8","1","","Boiani, Mattia; Baschieri, Andrea; Cesari, Cristiana; Mazzoni, Rita; Stagni, Stefano; Zacchini, Stefano; Sambri, Letizia","A new tetraarylcyclopentadienone based low molecular weight gelator: synthesis, self-assembly properties and anion recognition","New Journal of Chemistry","2012","36","7","1469","","10.1039/c2nj40073a","","","0.71073","MoKα","","0.1309","0.0986","","","0.2606","0.2948","","","","","","1.02","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052905","6.0489","0.0017","13.222","0.004","20.272","0.006","73.883","0.004","86.839","0.004","77.762","0.004","1522.2","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H32 O3 -","- C39 H32 O3 -","- C78 H64 O6 -","2","1","","Boiani, Mattia; Baschieri, Andrea; Cesari, Cristiana; Mazzoni, Rita; Stagni, Stefano; Zacchini, Stefano; Sambri, Letizia","A new tetraarylcyclopentadienone based low molecular weight gelator: synthesis, self-assembly properties and anion recognition","New Journal of Chemistry","2012","36","7","1469","","10.1039/c2nj40073a","","","0.71073","MoKα","","0.231","0.1055","","","0.2703","0.3554","","","","","","1.008","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052906","8.7424","0.0002","8.9246","0.0002","11.6251","0.0003","90","","108.592","0.001","90","","859.68","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-amino-ethanolato-κN,O:O)-dibromido-tricopper(II)","","- C8 H24 Br2 Cu3 N4 O4 -","- C8 H24 Br2 Cu3 N4 O4 -","- C16 H48 Br4 Cu6 N8 O8 -","2","0.5","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.0473","0.0366","","","0.0924","0.0991","","","","","","1.042","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052907","9.0782","0.0018","11.603","0.002","12.489","0.003","102.76","0.03","100.94","0.03","90","0.03","1258.5","0.5","118","2","118","2","","","","","","","","6","P 1","P 1","1","","Tetrakis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-tricopper(II)","","- C16 H40 Br2 Cu3 N4 O4 -","- C16 H40 Br2 Cu3 N4 O4 -","- C32 H80 Br4 Cu6 N8 O8 -","2","2","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.1358","0.0994","","","0.2423","0.273","","","","","","0.994","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052908","10.27","0.0017","12.8186","0.0016","20.588","0.003","90","","93.281","0.008","90","","2705.9","0.7","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(bis(mu-(R)-2-amino-butan-1-olato-kappaN,O:O)-dibromido- dicopper(ii))-(bis((R)-2-amino-butan-1-ol-kappaN,O)-dibromido- copper(ii))-(((R)-2-amino-butan-1-ol-kappaN,O)-dibromido-methanol- copper(ii))","Bis[bis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-dicopper(II)]- [bis((R)-2-amino-butan-1-ol-κN,O)-dibromido-copper(II)]- [((R)-2-amino-butan-1-ol-κN,O)-dibromido-methanol-copper(II)]","","- C29 H77 Br8 Cu6 N7 O8 -","- C29 H77 Br8 Cu6 N7 O8 -","- C58 H154 Br16 Cu12 N14 O16 -","2","1","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.1149","0.0649","","","0.126","0.1502","","","","","","1.039","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052909","10.3649","0.0003","12.7064","0.0003","19.3781","0.0005","90","","92.255","0.002","90","","2550.13","0.12","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[bis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-dicopper(II)]- bis[((R)-2-amino-butan-1-ol-κN,O)-dibromido-ethanol-copper(II)]","","- C28 H74 Cl8 Cu6 N6 O8 -","- C28 H74 Cl8 Cu6 N6 O8 -","- C56 H148 Cl16 Cu12 N12 O16 -","2","1","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.096","0.0494","","","0.0912","0.1095","","","","","","1.04","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052910","16.226","0.0003","16.2256","0.0003","5.601","0.0001","90","","90","","90","","1474.61","0.05","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis[rac-(2-amino-butan-1-olato-κN,O)-rac-(2-amino-butan-1-ol-κN,O)-aqua- copper(II)] di-perchlorate","","- C16 H46 Cl2 Cu2 N4 O14 -","- C16 H45.77 Cl2 Cu2 N4 O14 -","- C32 H91.54 Cl4 Cu4 N8 O28 -","2","0.5","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.0602","0.0558","","","0.155","0.1606","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052911","16.0982","0.0007","8.9954","0.0006","30.894","0.0018","90","","101.433","0.004","90","","4385","0.4","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H36 N2 O3 S Si -","- C17 H36 N2 O3 S Si -","- C136 H288 N16 O24 S8 Si8 -","8","1","","Baranowska, Katarzyna; Piwowarska, Natalia; Herman, Aleksander; Dołęga, Anna","Imidazolium silanethiolates relevant to the active site of cysteine proteases. A cooperative effect in a chain of NH+⋯S− hydrogen bonds","New Journal of Chemistry","2012","36","8","1574","","10.1039/c2nj40114b","","x-ray","0.71073","MoKα","","0.089","0.0644","","","0.1578","0.1742","","","","","","1.332","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052912","15.8343","0.0004","9.0503","0.0001","15.8977","0.0006","90","","109.061","0.004","90","","2153.31","0.11","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 N2 O3 S Si -","- C16 H34 N2 O3 S Si -","- C64 H136 N8 O12 S4 Si4 -","4","1","","Baranowska, Katarzyna; Piwowarska, Natalia; Herman, Aleksander; Dołęga, Anna","Imidazolium silanethiolates relevant to the active site of cysteine proteases. A cooperative effect in a chain of NH+⋯S− hydrogen bonds","New Journal of Chemistry","2012","36","8","1574","","10.1039/c2nj40114b","","x-ray","0.71073","MoKα","","0.0465","0.0409","","","0.1077","0.1161","","","","","","1.117","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052913","15.691","0.008","9.7022","0.0009","31.2081","0.0012","90","","103.24","0.05","90","","4625","3","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 N2 O3 S Si -","- C18 H38 N2 O3 S Si -","- C144 H304 N16 O24 S8 Si8 -","8","1","","Baranowska, Katarzyna; Piwowarska, Natalia; Herman, Aleksander; Dołęga, Anna","Imidazolium silanethiolates relevant to the active site of cysteine proteases. A cooperative effect in a chain of NH+⋯S− hydrogen bonds","New Journal of Chemistry","2012","36","8","1574","","10.1039/c2nj40114b","","x-ray","0.71073","MoKα","","0.0496","0.0437","","","0.1094","0.1122","","","","","","1.089","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052914","9.1371","0.0014","9.2116","0.0015","10.2632","0.0017","63.521","0.008","68.961","0.007","72.657","0.007","711.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cu2 N4 O12 -","- C26 H28 Cu2 N4 O12 -","- C26 H28 Cu2 N4 O12 -","1","0.5","","Kopylovich, Maximilian N.; Gajewska, Malgorzata J.; Mahmudov, Kamran T.; Kirillova, Marina V.; Figiel, Paweł J.; Guedes da Silva, M. Fátima C.; Gil-Hernández, Beatriz; Sanchiz, Joaquin; Pombeiro, Armando J. L.","Copper(ii) complexes with a new carboxylic-functionalized arylhydrazone of β-diketone as effective catalysts for acid-free oxidations","New Journal of Chemistry","2012","36","8","1646","","10.1039/c2nj40210f","","","0.71069","MoKα","","0.0896","0.0442","","","0.1041","0.1243","","","","","","0.976","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052915","8.6358","0.0002","10.3215","0.0002","10.8552","0.0003","85.894","0.001","71.985","0.002","66.528","0.001","842.52","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cu N3 O7 -","- C15 H19 Cu N3 O7 -","- C30 H38 Cu2 N6 O14 -","2","1","","Kopylovich, Maximilian N.; Gajewska, Malgorzata J.; Mahmudov, Kamran T.; Kirillova, Marina V.; Figiel, Paweł J.; Guedes da Silva, M. Fátima C.; Gil-Hernández, Beatriz; Sanchiz, Joaquin; Pombeiro, Armando J. L.","Copper(ii) complexes with a new carboxylic-functionalized arylhydrazone of β-diketone as effective catalysts for acid-free oxidations","New Journal of Chemistry","2012","36","8","1646","","10.1039/c2nj40210f","","","0.71069","MoKα","","0.028","0.025","","","0.0689","0.0716","","","","","","0.973","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7052916","11.277","0.001","15.661","0.001","19.109","0.002","90","","96.66","0.01","90","","3352","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","iodo-(2,9-dimetyl-1,10-phenanthroline-N,N')- (tris(thiomorpholinomethyl) phosphine-P)-copper(i) hydrate","iodo-(2,9-dimetyl-1,10-phenanthroline-N,N')-(tris(thiomorpholinomethyl) phosphine-P)-copper(i) hydrate","","- C29 H42.4 Cu I N5 O0.2 P S3 -","- C29 H42 Cu I N5 O0.2 P S3 -","- C116 H168 Cu4 I4 N20 O0.8 P4 S12 -","4","1","","Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata; Barys, Maciej","Solid state luminescence of copper(i) (pseudo)halide complexes with neocuproine and aminomethylphosphanes derived from morpholine and thiomorpholine","New Journal of Chemistry","2012","36","8","1673","","10.1039/c2nj40229g","","","0.71073","MoKα","","0.0501","0.0297","","","0.0664","0.0696","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052917","8.067","0.001","13.205","0.001","16.127","0.002","86.1","0.02","76.29","0.01","77.52","0.01","1629.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Isothiocyanato-(2,9-dimetyl-1,10-phenanthroline-N,N') -(tris(morpholinomethyl)phosphine-P)-copper(i)","","- C30 H42 Cu N6 O3 P S -","- C30 H42 Cu N6 O3 P S -","- C60 H84 Cu2 N12 O6 P2 S2 -","2","1","","Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata; Barys, Maciej","Solid state luminescence of copper(i) (pseudo)halide complexes with neocuproine and aminomethylphosphanes derived from morpholine and thiomorpholine","New Journal of Chemistry","2012","36","8","1673","","10.1039/c2nj40229g","","","0.71073","MoKα","","0.1108","0.0453","","","0.0711","0.0804","","","","","","0.822","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052918","9.313","0.001","13.258","0.005","14.436","0.002","87.45","0.01","84.99","0.01","71.36","0.02","1682.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","isothiocyanato-(2,9-dimetyl-1,10-phenanthroline-N,N')- (tris(thiomorpholinomethyl) phosphine-P)-copper(i)","","- C30 H42 Cu N6 P S4 -","- C30 H42 Cu N6 P S4 -","- C60 H84 Cu2 N12 P2 S8 -","2","1","","Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata; Barys, Maciej","Solid state luminescence of copper(i) (pseudo)halide complexes with neocuproine and aminomethylphosphanes derived from morpholine and thiomorpholine","New Journal of Chemistry","2012","36","8","1673","","10.1039/c2nj40229g","","","0.71073","MoKα","","0.1647","0.0615","","","0.117","0.1398","","","","","","0.809","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052919","9.2902","0.0002","13.6836","0.0003","16.069","0.0003","85.521","0.001","80.357","0.001","88.534","0.001","2007.57","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H27 D8 N7.5 O5 -","- C51.25 H27 D8 N7.25 O5 -","- C102.5 H54 D16 N14.5 O10 -","2","1","","Fernández-Mato, Antonio; Quintela, José M.; Peinador, Carlos","Novel naphthyridine-based compounds in small molecular non-doped OLEDs: synthesis, properties and their versatile applications for organic light-emitting diodes","New Journal of Chemistry","2012","36","8","1634","","10.1039/c2nj40279c","","","0.71073","MoKα","","0.0762","0.0533","","","0.1468","0.1686","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052920","6.98977","0.00007","20.8653","0.0002","14.1374","0.0001","90","","92.862","0.001","90","","2059.28","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B F4 N4 Pd -","- C20 H23 B F4 N4 Pd -","- C80 H92 B4 F16 N16 Pd4 -","4","1","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Milani, Barbara; Albrecht, Martin","Synthesis of a sterically modulated pyridine‒NHC palladium complex and its reactivity towards ethylene","New Journal of Chemistry","2012","36","8","1552","","10.1039/c2nj40287d","","","0.71073","MoKα","","0.0255","0.0209","","","0.0484","0.0509","","","","","","1.074","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052921","13.8296","0.0005","6.6323","0.0002","35.6388","0.0012","90","","90.16","0.003","90","","3268.85","0.19","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H14 N6 O6 -","- C15 H14 N6 O6 -","- C120 H112 N48 O48 -","8","2","","Hofmann, Katja; Brumm, Susann; Mende, Carola; Nagel, Kevin; Seifert, Andreas; Roth, Isabelle; Schaarschmidt, Dieter; Lang, Heinrich; Spange, Stefan","Solvatochromism and acidochromism of azobenzene-functionalized poly(vinyl amines)","New Journal of Chemistry","2012","36","8","1655","","10.1039/c2nj40313g","","","1.54184","CuKα","","0.0325","0.0283","","","0.0673","0.0683","","","","","","0.995","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052922","11.6164","0.0011","7.8216","0.0006","22.019","0.0019","90","","100.544","0.011","90","","1966.8","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Fe N3 O4 -","- C23 H17 Fe N3 O4 -","- C92 H68 Fe4 N12 O16 -","4","1","","Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.","Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide","New Journal of Chemistry","2012","36","9","1819","","10.1039/c2nj40177k","","","0.71073","MoKα","","0.0791","0.0453","","","0.0973","0.1038","","","","","","0.901","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052923","16.391","0.005","18.117","0.005","13.078","0.005","90","","91.029","0.005","90","","3883","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cl6 Fe N6 O8 -","- C38 H26 Cl6 Fe N6 O8 -","- C152 H104 Cl24 Fe4 N24 O32 -","4","1","","Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.","Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide","New Journal of Chemistry","2012","36","9","1819","","10.1039/c2nj40177k","","","0.71073","MoKα","","0.0722","0.0439","","","0.0888","0.0961","","","","","","1.005","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052924","20.0421","0.0016","14.6971","0.0007","15.7895","0.001","90","","97.747","0.006","90","","4608.5","0.5","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H35 Cu2 Fe2 I2 N7 O8 -","- C46 H32 Cu2 Fe2 I2 N6 O8 -","- C184 H128 Cu8 Fe8 I8 N24 O32 -","4","1","","Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.","Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide","New Journal of Chemistry","2012","36","9","1819","","10.1039/c2nj40177k","","","0.71073","MoKα","","0.0699","0.0458","","","0.1066","0.1196","","","","","","1.013","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052925","21.131","0.002","15.2094","0.001","11.9706","0.0012","90","","97.344","0.008","90","","3815.7","0.6","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H27.25 Cu2 Fe I2 N7.75 O8 -","- C36 H22 Cu2 Fe I2 N6 O8 -","- C144 H88 Cu8 Fe4 I8 N24 O32 -","4","0.5","","Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.","Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide","New Journal of Chemistry","2012","36","9","1819","","10.1039/c2nj40177k","","","0.71073","MoKα","","0.075","0.0529","","","0.1233","0.1323","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052926","6.485","0.004","5.583","0.003","10.854","0.006","90","","90.786","0.008","90","","392.9","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N12 -","- C2 H4 N12 -","- C4 H8 N24 -","2","0.5","","Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao","1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound","New Journal of Chemistry","2012","36","10","1953","","10.1039/c2nj40109f","","","0.71073","MoKα","","0.0463","0.0371","","","0.0826","0.0874","","","","","","1.001","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052927","8.661","0.003","8.102","0.002","10.043","0.003","90","","115.001","0.003","90","","638.7","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N12 -","- C8 H12 N12 -","- C16 H24 N24 -","2","0.5","","Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao","1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound","New Journal of Chemistry","2012","36","10","1953","","10.1039/c2nj40109f","","","0.71073","MoKα","","0.0498","0.0386","","","0.0949","0.1006","","","","","","0.998","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052928","7.533","0.003","7.408","0.002","12.029","0.004","90","","96.629","0.004","90","","666.8","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N6 -","- C4 H8 N6 -","- C16 H32 N24 -","4","1","","Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao","1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound","New Journal of Chemistry","2012","36","10","1953","","10.1039/c2nj40109f","","","0.71073","MoKα","","0.0645","0.0433","","","0.08","0.0878","","","","","","0.999","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052929","8.779","0.0002","24.3199","0.0006","30.6605","0.0008","71.677","0.002","84.871","0.002","83.43","0.002","6163.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(cyclopropanecarboxylic acid).(isonicotinamide)","(cyclopropanecarboxylic acid).(isonicotinamide)","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C240 H288 N48 O72 -","24","12","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.1278","0.0627","","","0.1644","0.2002","","","","","","1.027","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052930","16.1822","0.0011","4.8068","0.0003","21.7053","0.0015","90","","102.36","0.004","90","","1649.21","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(cyclobutanecarboxylic acid).(isonicotinamide) Form I","bis(cyclobutanecarboxylic acid).(isonicotinamide) Form I","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C64 H88 N8 O20 -","4","1","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.1093","0.0517","","","0.1145","0.1403","","","","","","0.984","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052931","10.505","0.0008","12.843","0.001","13.081","0.001","101.339","0.003","90.243","0.003","101.687","0.003","1692.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis(cyclobutanecarboxylic acid).(isonicotinamide) Form II","bis(cyclobutanecarboxylic acid).(isonicotinamide) Form II","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C64 H88 N8 O20 -","4","2","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.1566","0.0574","","","0.1196","0.1592","","","","","","0.975","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052932","6.9305","0.0007","8.9843","0.0008","10.836","0.001","113.556","0.003","95.236","0.003","97.39","0.003","605.75","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(cylopentanecarboxylic acid).(isonicotinamide) Form II","(cylopentanecarboxylic acid).(isonicotinamide) Form II","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C24 H32 N4 O6 -","2","1","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.0754","0.0491","","","0.1284","0.1451","","","","","","1.025","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052933","6.991","0.0001","8.981","0.0001","11.398","0.0001","67.479","0.001","81.065","0.001","83.458","0.001","651.877","0.014","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(cyclohexanecarboxylic acid).(isonicotinamide) Form II","(cyclohexanecarboxylic acid).(isonicotinamide) Form II","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.0669","0.0389","","","0.0937","0.1063","","","","","","1.002","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052934","6.9587","0.0004","9.0375","0.0005","12.3302","0.0008","68.763","0.003","76.211","0.003","82.636","0.003","701.2","0.07","336","2","336","2","","","","","","","","4","P -1","-P 1","2","(cyclohexanecarboxylic acid).(isonicotinamide) Form I","(cyclohexanecarboxylic acid).(isonicotinamide) Form I","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.1331","0.0739","","","0.2275","0.2788","","","","","","1.056","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052935","6.3808","0.0003","7.4452","0.0003","12.7044","0.0005","90","","90","","90","","603.54","0.04","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu H4.8 N6.8 O1.2 -","- Cu H4.8 N6.8 O1.2 -","- Cu4 H19.2 N27.2 O4.8 -","4","0.5","","Tommasino, Jean-Bernard; Chastanet, Guillaume; Guennic, Boris Le; Robert, Vincent; Pilet, Guillaume","A 1D coordination polymer built on asymmetric μ1,1,3-azide bridge: from unusual topology to magnetic properties and Cu(ii)/Cu(i) redox reversibility","New Journal of Chemistry","2012","36","11","2228","","10.1039/c2nj40302a","","","0.71073","MoKα","","0.029","0.0237","","0.0298","0.027","0.0256","","","","","","1.1142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052936","26.907","0.004","29.784","0.004","20.352","0.003","90","","90","","90","","16310","4","133","2","133","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","heptakis(2,6-di-O-methyl)-beta-cyclodextrin.6,7,8,9,10,10 - hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide","heptakis(2,6-di-O-methyl)-beta-cyclodextrin.6,7,8,9,10,10 -hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3- benzodioxathiepin 3-oxide","","- C65 H106.08 Cl6 O39.04 S -","- C65 H103 Cl6 O39.045 S -","- C520 H824 Cl48 O312.36 S8 -","8","2","","Cruickshank, Dyanne L.; Bourne, Susan A.; Caira, Mino R.","A solid-state study of the inclusion of endosulfan in native and derivatised cyclodextrins using X-ray diffraction and thermoanalytical methods","New Journal of Chemistry","2012","36","10","2007","","10.1039/c2nj40364a","","","0.71073","MoKα","","0.185","0.1023","","","0.2548","0.3065","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052937","11.408","0.003","8.848","0.002","18.193","0.005","90","","97.562","0.011","90","","1820.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B F2 N2 O2 -","- C20 H19 B F2 N2 O2 -","- C80 H76 B4 F8 N8 O8 -","4","1","","Tsay, Olga G.; Lee, Kang Mun; Churchill, David G.","Selective and competitive cysteine chemosensing: resettable fluorescent “turn on” aqueous detection via Cu2+ displacement and salicylaldimine hydrolysis","New Journal of Chemistry","2012","36","10","1949","","10.1039/c2nj40387k","","","0.71073","MoKα","","0.0691","0.0504","","","0.1167","0.1272","","","","","","1.032","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052938","13.996","0.002","11.0508","0.0017","14.095","0.002","90","","100.373","0.007","90","","2144.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 B F2 N2 O2 -","- C23 H25 B F2 N2 O2 -","- C92 H100 B4 F8 N8 O8 -","4","1","","Tsay, Olga G.; Lee, Kang Mun; Churchill, David G.","Selective and competitive cysteine chemosensing: resettable fluorescent “turn on” aqueous detection via Cu2+ displacement and salicylaldimine hydrolysis","New Journal of Chemistry","2012","36","10","1949","","10.1039/c2nj40387k","","","0.71073","MoKα","","0.1","0.0844","","","0.2186","0.2299","","","","","","1.07","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052939","5.3358","0.0006","13.3538","0.0013","13.894","0.0018","101.26","0.01","90.396","0.01","101.111","0.009","951.72","0.19","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H60 Ni S8 -","- C32 H60 Ni S8 -","- C32 H60 Ni S8 -","1","0.5","","Bui, Thanh-Tuan; Vuong, Minh Ha; Bonneval, Bénédicte Garreau-de; Alary, Fabienne; Kane, Jacob; Duhayon, Carine; Sournia-Saquet, Alix; Moineau-Chane-Ching, Kathleen I.","Synthesis, X-ray crystal structures, optical properties and modelling data of neutral bis(1,2-dithiolene) nickel complexes of the “non-cyclic SR” family","New Journal of Chemistry","2012","36","10","2033","","10.1039/c2nj40398f","","","0.71073","MoKα","","0.1399","0.0457","","0.1185","0.0508","0.0508","","","","","","1.0969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052940","26.182","0.002","6.4642","0.0006","19.9353","0.0011","90","","107.729","0.006","90","","3213.7","0.4","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Ni S8 -","- C24 H44 Ni S8 -","- C96 H176 Ni4 S32 -","4","0.5","","Bui, Thanh-Tuan; Vuong, Minh Ha; Bonneval, Bénédicte Garreau-de; Alary, Fabienne; Kane, Jacob; Duhayon, Carine; Sournia-Saquet, Alix; Moineau-Chane-Ching, Kathleen I.","Synthesis, X-ray crystal structures, optical properties and modelling data of neutral bis(1,2-dithiolene) nickel complexes of the “non-cyclic SR” family","New Journal of Chemistry","2012","36","10","2033","","10.1039/c2nj40398f","","","0.71073","MoKα","","0.0628","0.0316","","0.0653","0.0361","0.0361","","","","","","1.0474","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052941","6.8273","0.0006","12.263","0.0011","7.4173","0.0007","90","","97.954","0.002","90","","615.03","0.1","273","2","273","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C28 H24 N8 -","2","0.5","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0472","0.0434","","","0.1277","0.1329","","","","","","1.088","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052942","9.1806","0.0019","16.9307","0.0009","11.4029","0.0011","90","","112.485","0.014","90","","1637.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Ag N5 O4.5 -","- C14 H14 Ag N5 O4.5 -","- C56 H56 Ag4 N20 O18 -","4","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0537","0.037","","","0.0957","0.1052","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052943","9.3461","0.0013","16.2898","0.0015","12.2215","0.0015","90","","108.782","0.009","90","","1761.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Ag Cl N4 O5 -","- C15 H15 Ag Cl N4 O5 -","- C60 H60 Ag4 Cl4 N16 O20 -","4","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.1071","0.0497","","","0.0972","0.118","","","","","","1.01","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052944","9.3243","0.0008","16.2532","0.0008","12.1352","0.0007","90","","109.483","0.005","90","","1733.8","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Ag B F4 N4 O -","- C15 H16 Ag B F4 N4 O -","- C60 H64 Ag4 B4 F16 N16 O4 -","4","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","x-ray","0.71073","MoKα","","0.0512","0.0378","","","0.0903","0.0969","","","","","","1.035","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052945","5.8153","0.0006","12.6387","0.0012","16.3614","0.0015","90","","92.692","0.002","90","","1201.2","0.2","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0628","0.0453","","","0.1207","0.1342","","","","","","1.043","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052946","8.4131","0.0006","12.2429","0.001","15.7364","0.0012","90.055","0.001","98.513","0.002","107.133","0.002","1530.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag2 N10 O6 -","- C28 H24 Ag2 N10 O6 -","- C56 H48 Ag4 N20 O12 -","2","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0594","0.0385","","","0.0892","0.0984","","","","","","1.031","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052947","8.909","0.0011","11.0665","0.0014","14.3207","0.0017","99.183","0.002","101.952","0.002","91.228","0.002","1361.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24.5 Ag N8 O2 S0.5 -","- C28 H24.5 Ag N8 O2 S0.5 -","- C56 H49 Ag2 N16 O4 S -","2","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.1349","0.0977","","","0.2666","0.336","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052948","8.3257","0.0007","11.2037","0.0009","15.5132","0.0013","70.668","0.004","75.604","0.004","84.442","0.004","1322.42","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N6 O9 -","- C27 H27 N6 O9 -","- C54 H54 N12 O18 -","2","1","","Jung, Sung Ho; Lee, Hyejin; Park, Sunhong; Jung, Jong Hwa","A cyanurate gel derived from two different hydrogen-bonding interactions in a binary system: evidence for the driving forces in gel formation","New Journal of Chemistry","2012","36","10","1957","","10.1039/c2nj40405b","","","0.71073","MoKα","","0.0549","0.0488","","","0.1392","0.1459","","","","","","1.047","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052949","11.9596","0.0003","12.1855","0.0002","19.6639","0.0002","90","","90","","90","","2865.69","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H42 Co2 N4 O14 -","- C20 H34 Co2 N4 O14 -","- C80 H136 Co8 N16 O56 -","4","1","","Prikhod'ko, Alexander; Pointillart, Fabrice; Golhen, Stéphane; Gavrilenko, Konstantin S.; Ouahab, Lahcène; Kolotilov, Sergey V.","Synthesis, structure, circular dichroism of a Δ(−)546-di-μ-hydroxo-tetrakis(S-prolinato)dicobalt(iii) complex and NMR study of its interaction with chiral and non-chiral probes in solutions","New Journal of Chemistry","2012","36","10","2070","","10.1039/c2nj40447h","","","0.71073","MoKα","","0.0563","0.045","","","0.1168","0.1241","","","","","","1.097","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052950","22.602","0.008","5.5689","0.0019","20.209","0.007","90","","109.72","0.006","90","","2394.5","1.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Z-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C104 H96 N32 O8 -","8","2","","Lin, Lirong; Fan, Weizhen; Chen, Shui; Ma, Jie; Hu, Wangxia; Lin, Yiji; Zhang, Hui; Huang, Rongbin","Photochromism of (E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","New Journal of Chemistry","2012","36","12","2562","","10.1039/c2nj40468k","","","0.71073","MoKα","","0.0999","0.0711","","","0.1566","0.1723","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052951","17.889","0.003","8.6684","0.0009","18.288","0.002","90","","90","","90","","2835.9","0.6","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H30 N8 O3 -","- C29 H30 N8 O3 -","- C116 H120 N32 O12 -","4","0.5","","Lin, Lirong; Fan, Weizhen; Chen, Shui; Ma, Jie; Hu, Wangxia; Lin, Yiji; Zhang, Hui; Huang, Rongbin","Photochromism of (E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","New Journal of Chemistry","2012","36","12","2562","","10.1039/c2nj40468k","","","0.71073","MoKα","","0.1005","0.0759","","","0.2082","0.2268","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052952","5.1873","0.0003","9.245","0.0005","25.3594","0.0011","90","","90","","90","","1216.15","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C52 H48 N16 O4 -","4","1","","Lin, Lirong; Fan, Weizhen; Chen, Shui; Ma, Jie; Hu, Wangxia; Lin, Yiji; Zhang, Hui; Huang, Rongbin","Photochromism of (E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","New Journal of Chemistry","2012","36","12","2562","","10.1039/c2nj40468k","","","0.71073","MoKα","","0.0732","0.0338","","","0.0544","0.062","","","","","","0.816","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052953","12.3212","0.0007","40.491","0.002","12.8009","0.0007","90","","97.002","0.001","90","","6338.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H90 In N5 O6 -","- C67 H90 In N5 O6 -","- C268 H360 In4 N20 O24 -","4","2","","Ilyakina, Ekaterina V.; Poddel'sky, Andrey I.; Piskunov, Alexandr V.; Fukin, Georgii K.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","The interaction of N,N′-bis(2,6-dimethylphenyl)imidazol-2-ylidene with o-benzosemiquinonato zinc(ii) and indium(iii) complexes","New Journal of Chemistry","2012","36","10","1944","","10.1039/c2nj40490g","","","0.71073","MoKα","","0.0727","0.0633","","","0.1562","0.1621","","","","","","1.034","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052954","12.0425","0.0006","6.0319","0.0003","12.6615","0.0006","90","","106.214","0.005","90","","883.14","0.08","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-(hydroxy(4-methylphenyl)methyl)cyclododecanone","2-[hydroxy(4-methylphenyl)methyl]cyclododecanone","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.0706","0.0432","","","0.0846","0.0917","","","","","","0.942","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052955","12.5731","0.0003","5.9925","0.0001","23.9975","0.0005","90","","104.709","0.002","90","","1748.82","0.06","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-((4-chlorophenyl)(hydroxy)methyl)cyclododecanone","2-[(4-chlorophenyl)(hydroxy)methyl]cyclododecanone","","- C19 H27 Cl O2 -","- C19 H27 Cl O2 -","- C76 H108 Cl4 O8 -","4","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.072","0.043","","","0.1124","0.1204","","","","","","1.067","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052956","12.5505","0.0008","6.0048","0.0005","24.4004","0.0015","90","","104.889","0.007","90","","1777.2","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((4-bromophenyl)(hydroxy)methyl)cyclododecanone","2-[(4-bromophenyl)(hydroxy)methyl]cyclododecanone","","- C19 H27 Br O2 -","- C19 H27 Br O2 -","- C76 H108 Br4 O8 -","4","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.0788","0.032","","","0.0655","0.0703","","","","","","0.85","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052957","12.665","0.014","5.829","0.0018","25.713","0.009","90","","100.94","0.05","90","","1864","2","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-((4-ethylphenyl)(hydroxy)methyl)cyclododecanone","2-[(4-ethylphenyl)(hydroxy)methyl]cyclododecanone","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.1003","0.0676","","","0.1733","0.2113","","","","","","1.039","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052958","8.0433","0.0006","9.0769","0.001","12.4273","0.001","103.78","0.008","92.678","0.006","92.933","0.007","878.4","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","2-(2,4-dichlorobenzylidene)cyclododecanone","2-(2,4-dichlorobenzylidene)cyclododecanone","","- C19 H24 Cl2 O -","- C19 H24 Cl2 O -","- C38 H48 Cl4 O2 -","2","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.0455","0.0359","","","0.0889","0.0949","","","","","","1.01","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052959","36.9262","0.0005","36.9262","0.0005","14.7933","0.0008","90","","90","","90","","20171.3","1.2","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C220 H238 Fe4 N4 O P8 Zn -","- C220 H238 Fe4 N4 O P8 Zn -","- C880 H952 Fe16 N16 O4 P32 Zn4 -","4","0.25","","Drouet, Samuel; Merhi, Areej; Grelaud, Guillaume; Cifuentes, Marie P.; Humphrey, Mark G.; Matczyszyn, Katarzyna; Samoc, Marek; Toupet, Loïc; Paul-Roth, Christine O.; Paul, Frédéric","Enhanced two-photon absorption cross-sections of zinc(II) tetraphenylporphyrins peripherally substituted with d6-metal alkynyl complexes","New Journal of Chemistry","2012","36","11","2192","","10.1039/c2nj40589j","","","0.71073","MoKα","","0.1684","0.1141","","","0.2885","0.3241","","","","","","1.133","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052960","29.7377","0.0012","9.6031","0.0006","22.5784","0.0009","90","","104.967","0.004","90","","6229.1","0.5","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Y0907","","","- C69 H81 N9 O9 -","- C69 H81 N9 O9 -","- C276 H324 N36 O36 -","4","1","","Jin, Cheng-Cheng; Kinoshita, Takashi; Cong, Hang; Ni, Xin-Long; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Synthesis and inclusion properties of C3-symmetric triazole derivatives based on hexahomotrioxacalix[3]arene","New Journal of Chemistry","2012","36","12","2580","","10.1039/c2nj40599g","","","0.71073","Mo-Kα","","0.1263","0.0762","","","0.1252","0.1439","","","","","","1.175","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052961","11.8572","0.0002","11.8572","0.0002","12.3816","0.0003","90","","90","","90","","1740.77","0.06","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H20 N P S -","- C20 H20 N P S -","- C80 H80 N4 P4 S4 -","4","1","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0336","0.0321","","","0.0811","0.0827","","","","","","1.07","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052962","9.068","0.005","19.055","0.005","20.228","0.005","90","0.005","90","0.005","90","0.005","3495","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N O P -","- C20 H20 N O P -","- C160 H160 N8 O8 P8 -","8","2","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","0.71069","MoKα","","0.0402","0.0385","","","0.1023","0.1043","","","","","","1.036","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052963","14.2392","0.0012","14.631","0.0018","18.0321","0.0017","90","","90","","90","","3756.7","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C176 H180 Cl4 N4 P4 Zr4 -","- C176 H180 Cl4 N4 P4 Zr4 -","- C176 H180 Cl4 N4 P4 Zr4 -","1","0.125","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0674","0.0509","","","0.1186","0.1304","","","","","","1.047","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052964","11.8869","0.0002","11.8869","0.0002","12.6006","0.0003","90","","90","","90","","1780.44","0.06","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C80 H80 N4 P4 Se4 -","4","1","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0296","0.0292","","","0.0783","0.0786","","","","","","1.059","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052965","13.9583","0.0013","25.467","0.002","15.4276","0.0015","90","","103.572","0.006","90","","5331","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Cl2 Cu4 N14 O18 S4 -","- C40 H44 Cl2 Cu4 N14 O18 S4 -","- C160 H176 Cl8 Cu16 N56 O72 S16 -","4","0.5","","Li, Xin; Li, Xue-Jie; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of tetracopper(ii) complexes with an N-benzoate-N′-[3-(2-hydroxylethylammino)propyl]oxamide ligand: reactivity towards DNA, cytotoxic and antimicrobial activities","New Journal of Chemistry","2012","36","12","2472","","10.1039/c2nj40682a","","","0.71073","MoKα","","0.0605","0.0398","","","0.1056","0.1163","","","","","","1.022","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052966","11.8016","0.0015","11.884","0.0014","12.652","0.003","103.236","0.003","101.213","0.003","117.145","0.002","1442.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 Cl Cu2 N5 O10 S2 -","- C22 H26 Cl Cu2 N5 O10 S2 -","- C44 H52 Cl2 Cu4 N10 O20 S4 -","2","1","","Li, Xin; Li, Xue-Jie; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of tetracopper(ii) complexes with an N-benzoate-N′-[3-(2-hydroxylethylammino)propyl]oxamide ligand: reactivity towards DNA, cytotoxic and antimicrobial activities","New Journal of Chemistry","2012","36","12","2472","","10.1039/c2nj40682a","","","0.71073","MoKα","","0.1297","0.0599","","","0.1233","0.1525","","","","","","0.995","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052967","7.0325","0.0017","9.919","0.0012","12.475","0.0006","90","","90","","90","","870.2","0.2","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 N10 -","- C4 H6 N10 -","- C16 H24 N40 -","4","1","","Tang, Yongxing; Yang, Hongwei; Shen, Jianhua; Wu, Bo; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of 1,1′-azobis(5-methyltetrazole)","New Journal of Chemistry","2012","36","12","2447","","10.1039/c2nj40731k","","","0.71073","MoKα","","0.032","0.031","","","0.0745","0.0751","","","","","","1.049","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052968","11.336","0.003","10.813","0.003","16.926","0.005","90","","129.643","0.006","90","","1597.6","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 -","- C16 H24 N2 O5 -","- C64 H96 N8 O20 -","4","1","","Sleem, Hisham Fathy; Dawe, Louise Nicole; Georghiou, Paris Elias","A tetraamido isophthaloyl-based macrocyclic calcium chloride and strontium chloride tritopic receptor","New Journal of Chemistry","2012","36","12","2451","","10.1039/c2nj40751e","","","0.71075","MoKα","","0.0393","0.0389","","","0.0988","0.0992","","","","","","1.064","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052969","5.0083","0.0018","9.048","0.003","17.725","0.006","85.179","0.008","82.023","0.009","75.645","0.009","769.6","0.5","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N4 O8 -","- C32 H44 N4 O8 -","- C32 H44 N4 O8 -","1","0.5","","Sleem, Hisham Fathy; Dawe, Louise Nicole; Georghiou, Paris Elias","A tetraamido isophthaloyl-based macrocyclic calcium chloride and strontium chloride tritopic receptor","New Journal of Chemistry","2012","36","12","2451","","10.1039/c2nj40751e","","","0.71075","MoKα","","0.2347","0.1365","","","0.2533","0.3084","","","","","","1.107","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7054085","18.489","0.0008","39.5013","0.0017","47.111","0.002","90","","96.154","0.001","90","","34209","3","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C234 H153 Br9 F162 Gd9 N18 O72 S9 -","- C234 H153 Br9 F162 Gd9 N18 O72 S9 -","- C936 H612 Br36 F648 Gd36 N72 O288 S36 -","4","1","","Liu, Ruina; Zhang, Congming; Mei, Xuelan; Hu, Peng; Tian, Haixia; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal","Slow magnetic relaxation and antiferromagnetic ordering in a one dimensional nitronyl nitroxide‒Tb(iii) chain","New Journal of Chemistry","2012","36","10","2088","","10.1039/c2nj40570a","","","0.71073","MoKα","","0.2162","0.1034","","","0.2241","0.313","","","","","","1.041","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054086","18.476","0.004","39.497","0.008","47.072","0.009","90","","96.06","0.03","90","","34159","12","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C234 H153 Br9 F162 N18 O72 S9 Tb9 -","- C234 H153 Br9 F162 N18 O72 S9 Tb9 -","- C936 H612 Br36 F648 N72 O288 S36 Tb36 -","4","1","","Liu, Ruina; Zhang, Congming; Mei, Xuelan; Hu, Peng; Tian, Haixia; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal","Slow magnetic relaxation and antiferromagnetic ordering in a one dimensional nitronyl nitroxide‒Tb(iii) chain","New Journal of Chemistry","2012","36","10","2088","","10.1039/c2nj40570a","","","0.71073","MoKα","","0.1428","0.0901","","","0.2107","0.2571","","","","","","1.019","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054087","10.2352","0.0002","11.7803","0.0002","12.9715","0.0002","79.119","0.001","71.609","0.001","64.342","0.001","1335.31","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 Cl Cu2 N5 O10 -","- C23 H26 Cl Cu2 N5 O10 -","- C46 H52 Cl2 Cu4 N10 O20 -","2","1","","He, Fang-Hong; Tao, Lin; Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of new dicopper(ii) complexes bridged by N-(2-hydroxyphenyl)-N′-(3-aminopropyl)oxamide: DNA-binding properties and cytotoxic activities","New Journal of Chemistry","2012","36","10","2078","","10.1039/c2nj40397h","","","0.71073","MoKα","","0.0698","0.0446","","","0.1094","0.1237","","","","","","1.035","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054088","9.876","0.004","11.21","0.004","11.834","0.005","92.41","0.007","110.147","0.007","95.229","0.007","1221.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Cu2 N6 O7 -","- C23 H26 Cu2 N6 O7 -","- C46 H52 Cu4 N12 O14 -","2","1","","He, Fang-Hong; Tao, Lin; Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of new dicopper(ii) complexes bridged by N-(2-hydroxyphenyl)-N′-(3-aminopropyl)oxamide: DNA-binding properties and cytotoxic activities","New Journal of Chemistry","2012","36","10","2078","","10.1039/c2nj40397h","","","0.71073","MoKα","","0.0817","0.0443","","","0.0885","0.1021","","","","","","1.012","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054089","23.6799","0.0004","9.7018","0.0002","10.2777","0.0001","90","","90","","90","","2361.17","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 Cu2 N6 O8 -","- C21 H24 Cu2 N6 O8 -","- C84 H96 Cu8 N24 O32 -","4","1","","He, Fang-Hong; Tao, Lin; Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of new dicopper(ii) complexes bridged by N-(2-hydroxyphenyl)-N′-(3-aminopropyl)oxamide: DNA-binding properties and cytotoxic activities","New Journal of Chemistry","2012","36","10","2078","","10.1039/c2nj40397h","","","0.71073","MoKα","","0.0558","0.0372","","","0.0786","0.087","","","","","","1.026","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054090","10.459","0.003","11.329","0.003","17.261","0.004","78.15","0.02","84","0.02","85.35","0.02","1987","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 Co N4 O8 P2 S4 -","- C29.999 H44 Co N4 O8 P2 S4 -","- C59.998 H88 Co2 N8 O16 P4 S8 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Railliet, Antoine P.; Bolte, Michael; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Spin-canted ferromagnetic behaviour and unusual thermal decomposition of [Co{MeO(O)CC6H4NHC(S)NP(S)(OiPr)2}2]","New Journal of Chemistry","2012","36","12","2642","","10.1039/c2nj40868f","","","0.71073","MoKα","","0.0335","0.0289","","","0.0775","0.0792","","","","","","1.08","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054091","10.4743","0.0008","11.3943","0.0009","17.3391","0.0014","78.149","0.006","84.676","0.006","85.234","0.006","2012.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 Co N4 O8 P2 S4 -","- C30 H44 Co N4 O8 P2 S4 -","- C60 H88 Co2 N8 O16 P4 S8 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Railliet, Antoine P.; Bolte, Michael; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Spin-canted ferromagnetic behaviour and unusual thermal decomposition of [Co{MeO(O)CC6H4NHC(S)NP(S)(OiPr)2}2]","New Journal of Chemistry","2012","36","12","2642","","10.1039/c2nj40868f","","","0.71073","MoKα","","0.0674","0.0554","","","0.1428","0.1492","","","","","","0.983","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054092","13.8833","0.0003","33.8521","0.0009","19.152","0.0004","90","","94.9954","0.0012","90","","8966.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H88 Cl4 Cu2 N12 O22 -","- C92 H88 Cl4 Cu2 N12 O22 -","- C368 H352 Cl16 Cu8 N48 O88 -","4","1","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","0.71073","MoKα","","0.1969","0.0774","","","0.22","0.2667","","","","","","1.044","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054093","13.4297","0.0002","35.6133","0.0005","19.3597","0.0003","90","","99.9636","0.0007","90","","9119.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82.27 H63.1 Cl4 N14.42 Ni2 O20.5 -","- C82.269 H56.961 Cl4 N14.423 Ni2 O20.5 -","- C329.076 H227.844 Cl16 N57.692 Ni8 O82 -","4","1","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","0.71073","MoKα","","0.1688","0.1084","","","0.2906","0.3155","","","","","","1.248","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054094","13.6511","0.0002","70.3157","0.0011","18.977","0.0004","90","","99.703","0.002","90","","17955.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H64.5 Cl4 Co2 N15.5 O17.5 -","- C87 H64.5 Cl4 Co2 N15.5 O17.5 -","- C696 H516 Cl32 Co16 N124 O140 -","8","2","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","1.54178","CuKα","","0.2003","0.1398","","","0.3507","0.3707","","","","","","1.502","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054095","13.6133","0.0003","69.9138","0.0014","19.1264","0.0005","90","","99.834","0.002","90","","17936.2","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C177 H133.5 Cl8 N32.5 O34 Zn4 -","- C177 H133.5 Cl8 N32.5 O34 Zn4 -","- C708 H534 Cl32 N130 O136 Zn16 -","4","1","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","1.54178","CuKα","","0.1583","0.1237","","","0.304","0.3157","","","","","","1.831","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054096","13.6597","0.0004","70.1804","0.0014","19.0319","0.0005","90","","100.028","0.003","90","","17966.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H62.5 Cl4 Fe2 N16.5 O16.5 -","- C87 H62.5 Cl4 Fe2 N16.5 O16.5 -","- C696 H500 Cl32 Fe16 N132 O132 -","8","2","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","1.54178","CuKα","","0.187","0.1002","","","0.2382","0.2711","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054097","5.2025","0.0003","17.5718","0.0014","20.0241","0.0013","90","","90","","90","","1830.5","0.2","120","2","120","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C39 H42 N2 O12 -","- C39 H42 N2 O12 -","- C78 H84 N4 O24 -","2","0.5","","Baghel, Garima Singh; Chinta, Jugun Prakash; Rao, Chebrolu P.","Synthesis, characterization of the amido-conjugates of 1,1′-methylene-bis(2-naphthol) and recognition of Cu2+ in aqueous acetonitrile","New Journal of Chemistry","2012","36","11","2397","","10.1039/c2nj40409e","","","0.71073","MoKα","","0.0669","0.0446","","","0.0883","0.0959","","","","","","0.993","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054098","17.022","0.003","27.254","0.006","26.995","0.005","90","","93.55","0.03","90","","12499","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C119 H91 Cl2 N14 O7 Y3 -","- C119 H91 Cl2 N14 O7 Y3 -","- C476 H364 Cl8 N56 O28 Y12 -","4","1","","Zhang, Wenjuan; Liu, Shaofeng; Sun, Wen-Hua; Hao, Xiang; Redshaw, Carl","Trimetallic yttrium N-(2-methylquinolin-8-yl)benzamides: synthesis, structure and use in ring-opening polymerization (ROP) of ε-caprolactone","New Journal of Chemistry","2012","36","11","2392","","10.1039/c2nj40711f","","","0.71073","MoKα","","0.1553","0.1144","","","0.2674","0.2917","","","","","","1.138","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054099","15.229","0.004","16.593","0.004","16.934","0.004","90","","94.428","0.006","90","","4266.4","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 Cd4 F24 N4 O37 Ti4 -","- C52 H80 Cd4 F24 N4 O37 Ti4 -","- C104 H160 Cd8 F48 N8 O74 Ti8 -","2","0.5","","Abu Bakar, Shahzad; Tajammul Hussain, Syed; Mazhar, Muhammad","CdTiO3 thin films from an octa-nuclear bimetallic single source precursor by aerosol assisted chemical vapor deposition (AACVD)","New Journal of Chemistry","2012","36","9","1844","","10.1039/c2nj40275k","","","0.71073","MoKα","","0.0805","0.0518","","","0.1346","0.1574","","","","","","1.043","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054100","35.671","0.0009","10.436","0.0003","24.934","0.0008","90","","116.437","0.001","90","","8311.3","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36.75 H58.75 Al N2 O2 -","- C36 H56.9999 Al N2 O2 -","- C288 H455.999 Al8 N16 O16 -","8","1","","Hancock, Stuart L.; Jones, Matthew D.; Langridge, Conrad J.; Mahon, Mary F.","Al(iii)‒homopiperazine complexes and their exploitation for the production of polyesters","New Journal of Chemistry","2012","36","9","1891","","10.1039/c2nj40300e","","","0.71073","MoKα","","0.1319","0.1196","","","0.3258","0.335","","","","","","1.09","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054101","14.781","0.0002","15.101","0.0002","29.119","0.0004","90","","90","","90","","6499.59","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33.5 H49 Al N2 O2 -","- C33.5 H49 Al N2 O2 -","- C268 H392 Al8 N16 O16 -","8","2","","Hancock, Stuart L.; Jones, Matthew D.; Langridge, Conrad J.; Mahon, Mary F.","Al(iii)‒homopiperazine complexes and their exploitation for the production of polyesters","New Journal of Chemistry","2012","36","9","1891","","10.1039/c2nj40300e","","","0.71073","MoKα","","0.0676","0.0619","","","0.1606","0.1651","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054102","32.935","0.003","7.056","0.001","31.375","0.004","90","","114.289","0.005","90","","6645.8","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H49 Al N2 O2 -","- C35 H48.5 Al N2 O2 -","- C280 H388 Al8 N16 O16 -","8","1","","Hancock, Stuart L.; Jones, Matthew D.; Langridge, Conrad J.; Mahon, Mary F.","Al(iii)‒homopiperazine complexes and their exploitation for the production of polyesters","New Journal of Chemistry","2012","36","9","1891","","10.1039/c2nj40300e","","","0.71073","MoKα","","0.1818","0.1154","","","0.2713","0.3088","","","","","","1.077","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054103","6.5494","0.0013","9.196","0.0018","23.512","0.005","90","","90.39","0.03","90","","1416.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C52 H48 N16 O24 -","4","1","","Ding, Xue-Hua; Cui, Lin-Fang; Li, Yong-Hua; Wang, Shi; Huang, Wei","Proton-transfer supramolecular salts resulting from 3,5-dinitrobenzoic acid and aminomethyl pyridine","New Journal of Chemistry","2012","36","9","1884","","10.1039/c2nj40252a","","","0.71073","MoKα","","0.0781","0.0549","","","0.1351","0.1482","","","","","","1.092","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054104","7.4234","0.0015","11.738","0.002","17.698","0.004","102.99","0.03","100.52","0.03","101.26","0.03","1431.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N8 O12 -","- C26 H24 N8 O12 -","- C52 H48 N16 O24 -","2","1","","Ding, Xue-Hua; Cui, Lin-Fang; Li, Yong-Hua; Wang, Shi; Huang, Wei","Proton-transfer supramolecular salts resulting from 3,5-dinitrobenzoic acid and aminomethyl pyridine","New Journal of Chemistry","2012","36","9","1884","","10.1039/c2nj40252a","","","0.71073","MoKα","","0.1177","0.0616","","","0.1385","0.1671","","","","","","1.032","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054105","6.877","0.0014","9.2116","0.0018","22.056","0.004","90","","90","","90","","1397.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C52 H48 N16 O24 -","4","1","","Ding, Xue-Hua; Cui, Lin-Fang; Li, Yong-Hua; Wang, Shi; Huang, Wei","Proton-transfer supramolecular salts resulting from 3,5-dinitrobenzoic acid and aminomethyl pyridine","New Journal of Chemistry","2012","36","9","1884","","10.1039/c2nj40252a","","","0.71073","MoKα","","0.0456","0.0388","","","0.0881","0.0915","","","","","","1.083","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7107111","10.213","0.006","5.816","0.003","7.888","0.004","90","0.06","117.01","0.04","90","0.08","417.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba2 H4 Ni6 O20 V4 -","- Ba2 H4 Ni6 O20 V4 -","- Ba2 H4 Ni6 O20 V4 -","1","0.125","","Danna E. Freedman; Robin Chisnell; Tyrel M. McQueen; Young S. Lee; Christophe Payen; Daniel G. Nocera","Frustrated magnetism in the S=1 kagome lattice BaNi3(OH)2(VO4)2","Chem.Commun.","2012","48","","64","","10.1039/c1cc14731e","","","1.5406","CuKα","","0.1325","0.1306","","","0.3297","0.3308","","","","","","3.662","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107112","17.4269","0.0005","17.4269","0.0005","22.3789","0.0006","90","","90","","120","","5885.9","0.3","123","1","123","1","","","","","","","","5","R 3 2 :H","R 3 2""","155","(N4444)3[Ce(dcnm)6]","Tri(tetrabutylammonium) hexakis(dicyanonitrosomethanido)cerium(III)","","- C66 H108 Ce N21 O6 -","- C66 H108 Ce N21 O6 -","- C198 H324 Ce3 N63 O18 -","3","0.166667","","Anthony S. R. Chesman; Mei Yang; Bert Mallick; Tamsyn M. Ross; Ian A. Gass; Glen B. Deacon; Stuart R. Batten; Anja-Verena Mudring","Melting point suppression in new lanthanoid(III) ionic liquids by trapping of kinetic polymorphs: an in situ synchrotron powder diffraction study","Chem.Commun.","2012","48","","124","","10.1039/c1cc14744g","","","0.71073","MoKα","","0.0158","0.0158","","","0.0413","0.0413","","","","","","0.72","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107113","17.5311","0.0011","17.5311","0.0011","22.263","0.0017","90","","90","","120","","5925.6","0.7","123","2","123","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C66 H108 N21 O6 Sm -","- C66 H108 N21 O6 Sm -","- C198 H324 N63 O18 Sm3 -","3","0.166667","","Anthony S. R. Chesman; Mei Yang; Bert Mallick; Tamsyn M. Ross; Ian A. Gass; Glen B. Deacon; Stuart R. Batten; Anja-Verena Mudring","Melting point suppression in new lanthanoid(III) ionic liquids by trapping of kinetic polymorphs: an in situ synchrotron powder diffraction study","Chem.Commun.","2012","48","","124","","10.1039/c1cc14744g","","","0.71073","MoKα","","0.0295","0.0287","","","0.0683","0.0687","","","","","","1.029","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107114","16.628","0.012","10.688","0.005","16.662","0.012","90","","94.87","0.03","90","","2950","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 N13 Se3 -","- C23 H33 N13 Se3 -","- C92 H132 N52 Se12 -","4","1","","Joice Thomas; Wim Van Rossom; Kristof Van Hecke; Luc Van Meervelt; Mario Smet; Wouter Maes; Wim Dehaen","Selenacalix[3]triazines: Synthesis and Host-Guest Chemistry","Chem.Commun.","2012","48","","43","","10.1039/c1cc15473g","","","1.54178","CuKα","","0.0465","0.0388","","","0.09","0.0933","","","","","","1.163","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107115","11.0691","0.0015","24.187","0.003","12.665","0.002","90","","107.014","0.007","90","","3242.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Br2 Cu N13 Se3 -","- C23 H33 Br2 Cu N13 Se3 -","- C92 H132 Br8 Cu4 N52 Se12 -","4","1","","Joice Thomas; Wim Van Rossom; Kristof Van Hecke; Luc Van Meervelt; Mario Smet; Wouter Maes; Wim Dehaen","Selenacalix[3]triazines: Synthesis and Host-Guest Chemistry","Chem.Commun.","2012","48","","43","","10.1039/c1cc15473g","","","1.54178","CuKα","","0.095","0.085","","","0.1803","0.1855","","","","","","1.045","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107116","16.8242","0.0002","16.8242","0.0002","72.52","0.002","90","","90","","120","","17777","0.6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C21 H30 Br Cu N12 Se3 -","- C21 H30 Br Cu N12 Se3 -","- C504 H720 Br24 Cu24 N288 Se72 -","24","0.666667","","Joice Thomas; Wim Van Rossom; Kristof Van Hecke; Luc Van Meervelt; Mario Smet; Wouter Maes; Wim Dehaen","Selenacalix[3]triazines: Synthesis and Host-Guest Chemistry","Chem.Commun.","2012","48","","43","","10.1039/c1cc15473g","","","1.54178","CuKα","","0.0636","0.0554","","","0.1384","0.1447","","","","","","1.069","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107118","9.0413","0.0008","13.824","0.0012","13.9065","0.0012","90","","90","","90","","1738.1","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O5 S -","- C17 H16 Cl N O5 S -","- C68 H64 Cl4 N4 O20 S4 -","4","1","","Jing Deng; Fei Wang; Wenzhong Yan; Jin Zhu; Hualiang Jiang; Wei Wang; Jian Li","Synthesis of 3-substituted 1,5-aldehyde esters via an organocatalytic highly enantioselective conjugate addition of new carbonylmethyl 2-pyridinylsulfone to enals","Chem.Commun.","2012","47","","148","","10.1039/c1cc15714k","","","0.71073","MoKα","","0.0216","0.021","","","0.0579","0.0584","","","","","","1.041","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107119","11.5423","0.0004","14.334","0.0006","40.0455","0.0013","90","","90","","90","","6625.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C75.5 H58.5 Au Cl1.5 O4.5 P2 Si2 -","- C75.5 H58.5 Au Cl1.5 O4.5 P2 Si2 -","- C302 H234 Au4 Cl6 O18 P8 Si8 -","4","1","","Mihai Raducan; Maria Moreno; Christophe Bour; Antonio M. Echavarren","Phosphate ligands in the gold(I)-catalysed activation of enynes","Chem.Commun.","2012","48","","52","","10.1039/c1cc15739f","","","0.71073","MoKα","","0.0968","0.062","","","0.1398","0.1598","","","","","","1.022","","","","has coordinates,has disorder","288243","2023-12-12","09:57:15",""
"7107120","11.7382","0.0012","14.4403","0.0014","40.493","0.004","90","","90","","90","","6863.7","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H66 Au O7.5 P2 Si2 -","- C76 H66 Au O7.5 P2 Si2 -","- C304 H264 Au4 O30 P8 Si8 -","4","1","","Mihai Raducan; Maria Moreno; Christophe Bour; Antonio M. Echavarren","Phosphate ligands in the gold(I)-catalysed activation of enynes","Chem.Commun.","2012","48","","52","","10.1039/c1cc15739f","","","0.71073","MoKα","","0.0644","0.0588","","","0.1424","0.1464","","","","","","1.142","","","","has coordinates,has disorder","288243","2023-12-12","09:57:15",""
"7107121","20.2597","0.0006","16.3556","0.0005","17.3458","0.0005","90","","90","","90","","5747.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C59.6 H47.99 Ag Cl2.39 O4.84 P Si2 -","- C59.596 H47.992 Ag Cl2.392 O4.84 P Si2 -","- C238.384 H191.968 Ag4 Cl9.568 O19.36 P4 Si8 -","4","1","","Mihai Raducan; Maria Moreno; Christophe Bour; Antonio M. Echavarren","Phosphate ligands in the gold(I)-catalysed activation of enynes","Chem.Commun.","2012","48","","52","","10.1039/c1cc15739f","","","0.71073","MoKα","","0.1174","0.0692","","","0.1898","0.2312","","","","","","1.023","","","","has coordinates,has disorder","288243","2023-12-12","09:57:15",""
"7107122","11.4413","0.0002","14.269","0.0002","14.9766","0.0004","90","","116.696","0.002","90","","2184.39","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cd2 N8 O18 -","- C34 H48 Cd2 N8 O18 -","- C68 H96 Cd4 N16 O36 -","2","0.5","","Xiao-Feng Wang; Yu Wang; Yue-Biao Zhang; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","Layer-by-layer evolution and a hysteretic single-crystal to single-crystal transformation cycle of a flexible pillared-layer open framework","Chem.Commun.","2012","48","","133","","10.1039/c1cc15891k","","","0.71073","MoKα","","0.0515","0.0396","","","0.1174","0.1255","","","","","","1.083","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107123","17.3378","0.0003","14.2386","0.0002","20.9358","0.0006","90","","121.841","0.002","90","","4390.58","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H41.5 Cd2 N8.5 O16.5 -","- C33.5 H41.5 Cd2 N8.5 O16.5 -","- C134 H166 Cd8 N34 O66 -","4","1","","Xiao-Feng Wang; Yu Wang; Yue-Biao Zhang; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","Layer-by-layer evolution and a hysteretic single-crystal to single-crystal transformation cycle of a flexible pillared-layer open framework","Chem.Commun.","2012","48","","133","","10.1039/c1cc15891k","","","0.71073","MoKα","","0.0825","0.0569","","","0.1777","0.1911","","","","","","1.1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107124","20.914","0.002","14.3821","0.0015","7.4466","0.0008","90","","90","","90","","2239.8","0.4","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C24 H14 Cd2 N6 O12 -","- C24 H14 Cd2 N6 O12 -","- C48 H28 Cd4 N12 O24 -","2","0.25","","Xiao-Feng Wang; Yu Wang; Yue-Biao Zhang; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","Layer-by-layer evolution and a hysteretic single-crystal to single-crystal transformation cycle of a flexible pillared-layer open framework","Chem.Commun.","2012","48","","133","","10.1039/c1cc15891k","","","0.71073","MoKα","","0.0713","0.0649","","","0.1762","0.1803","","","","","","1.074","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107125","7.4058","0.0003","20.7757","0.0007","14.2332","0.0006","90","","99.132","0.004","90","","2162.17","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cd2 N6 O12 -","- C24 H14 Cd2 N6 O12 -","- C48 H28 Cd4 N12 O24 -","2","0.5","","Xiao-Feng Wang; Yu Wang; Yue-Biao Zhang; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","Layer-by-layer evolution and a hysteretic single-crystal to single-crystal transformation cycle of a flexible pillared-layer open framework","Chem.Commun.","2012","48","","133","","10.1039/c1cc15891k","","","0.71073","MoKα","","0.0717","0.064","","","0.1641","0.1676","","","","","","1.058","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107126","7.4378","0.0003","20.9108","0.0007","14.3257","0.0006","90","","92.65","0.004","90","","2225.7","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cd2 N6 O12 -","- C24 H14 Cd2 N6 O12 -","- C48 H28 Cd4 N12 O24 -","2","0.5","","Xiao-Feng Wang; Yu Wang; Yue-Biao Zhang; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","Layer-by-layer evolution and a hysteretic single-crystal to single-crystal transformation cycle of a flexible pillared-layer open framework","Chem.Commun.","2012","48","","133","","10.1039/c1cc15891k","","","0.71073","MoKα","","0.082","0.0698","","","0.198","0.2053","","","","","","1.074","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107127","20.993","0.004","14.236","0.003","7.4471","0.0015","90","","90","","90","","2225.6","0.8","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C24 H14 Cd2 N6 O12 -","- C24 H14 Cd2 N6 O12 -","- C48 H28 Cd4 N12 O24 -","2","0.25","","Xiao-Feng Wang; Yu Wang; Yue-Biao Zhang; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","Layer-by-layer evolution and a hysteretic single-crystal to single-crystal transformation cycle of a flexible pillared-layer open framework","Chem.Commun.","2012","48","","133","","10.1039/c1cc15891k","","","0.71073","MoKα","","0.0983","0.0801","","","0.1951","0.2027","","","","","","1.041","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107128","23.3722","0.0004","11.654","0.0002","38.7341","0.0006","90","","99.158","0.002","90","","10415.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C159.5 H278 Cl36 O P16 Pd8 -","- C159.48 H277.8 Cl36 O1.2 P16 Pd8 -","- C318.96 H555.6 Cl72 O2.4 P32 Pd16 -","2","0.5","","Holm Petzold; Albara I. S. Alrawashdeh","A 2,2',6,6'-tetraphosphinobiphenyl","Chem.Commun.","2012","48","","160","","10.1039/c1cc15917h","","","0.71073","MoKα","","0.0527","0.0377","","","0.1027","0.1058","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107129","13.091","0.003","9.1718","0.0012","10.744","0.002","90","","107.03","0.02","90","","1233.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 O4 -","- C34 H22 O4 -","- C68 H44 O8 -","2","0.5","","Kamaljit Singh; Tarunpreet Singh Virk; Jing Zhang; Wei Xu; Daoben Zhu","Oxygen bridged neutral annulenes: a novel class of materials for organic field-effect transistors","Chem.Commun.","2012","48","","121","","10.1039/c1cc16344b","","","0.71073","MoKα","","0.0641","0.0356","","","0.0723","0.0781","","","","","","0.852","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107130","34.541","0.002","9.5379","0.0007","7.8246","0.0006","90","","90","","90","","2577.8","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H26 O4 -","- C36 H26 O4 -","- C144 H104 O16 -","4","0.5","","Kamaljit Singh; Tarunpreet Singh Virk; Jing Zhang; Wei Xu; Daoben Zhu","Oxygen bridged neutral annulenes: a novel class of materials for organic field-effect transistors","Chem.Commun.","2012","48","","121","","10.1039/c1cc16344b","","","0.71073","MoKα","","0.1091","0.0418","","","0.0776","0.0872","","","","","","0.813","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107131","12.808","0.003","12.205","0.002","15.019","0.003","90","","90","","90","","2347.8","0.8","105","2","105","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 B2 F4 N4 -","- C28 H24 B2 F4 N4 -","- C112 H96 B8 F16 N16 -","4","0.5","","Matthew T. Whited; Niral Patel; Sean T. Roberts; Peter I. Djurovich; Stephen E. Bradforth; Mark E. Thompson","Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads","Chem.Commun.","2012","48","","284","","10.1039/c1cc12260f","","","0.71073","MoKα","","0.1215","0.0571","","","0.0838","0.0926","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107132","8.501","0.007","29.47","0.02","20.745","0.016","90","","100.744","0.014","90","","5106","7","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cu3Mo5P2","","","- C72 H54 Cu6 Mo10 N12 O61 P4 -","- C72 H54 Cu6 Mo10 N12 O61 P4 -","- C144 H108 Cu12 Mo20 N24 O122 P8 -","2","0.5","","Chandan Dey; Tanay Kundu; Rahul Banerjee","Reversible phase transformation in proton conducting Strandberg-type POM based metal organic material","Chem.Commun.","2012","48","","266","","10.1039/c1cc15162b","","","0.71073","MoKα","","0.1001","0.0888","","","0.1675","0.1724","","","","","","1.256","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107133","8.6554","0.0003","16.921","0.0006","20.0587","0.0008","104.959","0.002","102.301","0.002","91.736","0.002","2761.7","0.18","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Cu2 O14 S24 -","- C38 H24 Cu2 O14 S24 -","- C76 H48 Cu4 O28 S48 -","2","1","","Bin Zhang; Yan Zhang; Daoben Zhu","(BEDT-TTF)3Cu2(C2O4)3(CH3OH)2: an organic-inorganic hybrid antiferromagnetic semiconductor","Chem.Commun.","2012","48","","197","","10.1039/c1cc15227k","","","0.71073","MoKα","","0.1073","0.047","","","0.0938","0.1099","","","","","","0.951","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107134","8.7501","0.0003","16.9319","0.0006","20.1421","0.0008","105.127","0.001","102.346","0.002","91.879","0.001","2801.7","0.18","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Cu2 O14 S24 -","- C38 H24 Cu2 O14 S24 -","- C76 H48 Cu4 O28 S48 -","2","1","","Bin Zhang; Yan Zhang; Daoben Zhu","(BEDT-TTF)3Cu2(C2O4)3(CH3OH)2: an organic-inorganic hybrid antiferromagnetic semiconductor","Chem.Commun.","2012","48","","197","","10.1039/c1cc15227k","","","0.71073","MoKα","","0.1257","0.0464","","","0.0881","0.1049","","","","","","0.914","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107135","9.424","0.014","17.14","0.03","23.45","0.04","90","","91.541","0.018","90","","3786","11","113.1","","113","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 N4 -","- C90 H80 N4 -","- C180 H160 N8 -","2","0.5","","Tomohito Ide; Daisuke Takeuchi; Kohtaro Osakada","Columnar self-assembly of rhomboid macrocyclic molecules via step-like intermolecular interaction. Crystal formation and gelation","Chem.Commun.","2012","48","","278","","10.1039/c1cc15311k","","","0.7107","MoKα","","","0.1181","","","","0.2957","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107136","8.9125","0.001","13.3287","0.0015","19.424","0.002","90","","90","","90","","2307.4","0.4","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C112 H160 O16 -","8","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","0.0593","0.0564","","","0.1546","0.157","","","","","","1.147","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107137","9.3448","0.0002","12.5431","0.0004","10.2747","0.0003","90","","90","","90","","1204.33","0.06","123.1","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","","0.0443","","","","0.0467","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107138","9.1625","0.0007","9.861","0.0009","13.9682","0.0012","90","","90","","90","","1262.05","0.19","123.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","","0.0546","","","","0.0691","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107139","8.5343","0.0009","12.8315","0.0014","19.306","0.002","90","","90","","90","","2114.2","0.4","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","0.0464","0.0447","","","0.1122","0.1138","","","","","","1.069","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107140","8.9596","0.0005","14.2109","0.0006","18.8285","0.0007","90","","90","","90","","2397.32","0.19","299.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C112 H160 O16 -","8","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","","0.0521","","","","0.0548","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107141","45.3","0.005","45.3","0.005","45.3","0.005","90","","90","","90","","92960","18","208","2","208","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C68 H40 Cd4 N20 Na O22 -","- C68 H40 Cd4 N20 Na O22 -","- C1632 H960 Cd96 N480 Na24 O528 -","24","0.125","","Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Wei-Gang Lu; Hong-Cai Zhou","A novel MOF with mesoporous cages for kinetic trapping of hydrogen","Chem.Commun.","2012","48","","254","","10.1039/c1cc15687j","","","0.71073","MoKα","","0.1022","0.0712","","","0.2136","0.2455","","","","","","1.079","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107142","10.718","0.007","18.395","0.012","18.871","0.012","90","","90.154","0.008","90","","3721","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H55 N2 O2 P2 Rh -","- C37 H55 N2 O2 P2 Rh -","- C148 H220 N8 O8 P8 Rh4 -","4","1","","Yanjun Zhu; Dan A. Smith; David E. Herbert; Sylvain Gatard; Oleg V. Ozerov","C-H and C-O oxidative addition in reactions of aryl carboxylates with a PNP pincer-ligated Rh(I) fragment","Chem.Commun.","2012","48","","218","","10.1039/c1cc15845g","","","0.71073","MoKα","","0.0642","0.0398","","","0.0956","0.1054","","","","","","1.079","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107143","11.31","0.02","16.45","0.03","20.03","0.04","90","","101.65","0.02","90","","3650","12","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 N O2 P2 Rh -","- C39 H50 N O2 P2 Rh -","- C156 H200 N4 O8 P8 Rh4 -","4","1","","Yanjun Zhu; Dan A. Smith; David E. Herbert; Sylvain Gatard; Oleg V. Ozerov","C-H and C-O oxidative addition in reactions of aryl carboxylates with a PNP pincer-ligated Rh(I) fragment","Chem.Commun.","2012","48","","218","","10.1039/c1cc15845g","","","0.71073","MoKα","","0.1007","0.0596","","","0.1349","0.1602","","","","","","0.92","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107144","15.308","0.014","10.032","0.009","19.376","0.018","90","","94.901","0.012","90","","2965","5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PNPRh(C6H4F)(H)","","","- C32 H45 F N P2 Rh -","- C32 H45 F N P2 Rh -","- C128 H180 F4 N4 P8 Rh4 -","4","1","","Yanjun Zhu; Dan A. Smith; David E. Herbert; Sylvain Gatard; Oleg V. Ozerov","C-H and C-O oxidative addition in reactions of aryl carboxylates with a PNP pincer-ligated Rh(I) fragment","Chem.Commun.","2012","48","","218","","10.1039/c1cc15845g","","","0.71073","MoKα","","0.0884","0.0537","","","0.1163","0.1322","","","","","","1.041","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107145","29.984","0.002","6.1034","0.0004","15.0712","0.0009","90","","96.152","0.006","90","","2742.2","0.3","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C26 H42 O4 Si -","- C26 H42 O4 Si -","- C104 H168 O16 Si4 -","4","1","","Jeffrey Mak; Craig Williams","Enantioselective total synthesis of (‒)-neovibsanin G and (?-)-14-epi-neovibsanin G","Chem.Commun.","2012","48","","287","","10.1039/c1cc15995j","","x-ray","0.71073","MoKα","","0.1158","0.0415","","","0.0492","0.0564","","","","","","0.705","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107146","16.4133","0.0009","24.4635","0.0016","6.4734","0.0004","90","","90","","90","","2599.2","0.3","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H26 Cl N4 O3 Rh -","- C26 H26 Cl N4 O3 Rh -","- C104 H104 Cl4 N16 O12 Rh4 -","4","1","","Christian Farber; Michael Leibold; Clemens Bruhn; Martin Maurer; Ulrich Siemeling","Nitron: a stable N-heterocyclic carbene that has been commercially available for more than a century","Chem.Commun.","2012","48","2","227","229","10.1039/c1cc16460k","","","0.71073","MoKα","","0.0497","0.0366","","","0.0869","0.0997","","","","","","0.979","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107147","11.2724","0.0009","16.7158","0.001","15.8324","0.0012","90","","101.116","0.006","90","","2927.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl4 N4 Rh -","- C29 H29 Cl4 N4 Rh -","- C116 H116 Cl16 N16 Rh4 -","4","1","","Christian Farber; Michael Leibold; Clemens Bruhn; Martin Maurer; Ulrich Siemeling","Nitron: a stable N-heterocyclic carbene that has been commercially available for more than a century","Chem.Commun.","2012","48","2","227","229","10.1039/c1cc16460k","","","0.71073","MoKα","","0.063","0.0465","","","0.1156","0.1225","","","","","","0.945","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107148","10.1388","0.0011","10.3661","0.001","12.2102","0.0012","85.985","0.008","73.991","0.008","64.991","0.008","1116.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cl3 N4 S2 -","- C22 H17 Cl3 N4 S2 -","- C44 H34 Cl6 N8 S4 -","2","1","","Christian Farber; Michael Leibold; Clemens Bruhn; Martin Maurer; Ulrich Siemeling","Nitron: a stable N-heterocyclic carbene that has been commercially available for more than a century","Chem.Commun.","2012","48","2","227","229","10.1039/c1cc16460k","","","0.71073","MoKα","","0.0638","0.0555","","","0.155","0.1586","","","","","","1.09","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107149","13.5535","0.0017","13.2675","0.0017","20.489","0.003","90","","103.456","0.002","90","","3583.2","0.8","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H108 N8 O23 V6 -","- C58 H108 N8 O23 V6 -","- C116 H216 N16 O46 V12 -","2","0.5","","Marie-Pierre Santoni; Amlan K. Pal; Garry S. Hanan; Marie-Christine Tang; Karine Venne; Alexandra Furtos; Pierre Menard-Tremblay; Cedric Malveau; Bernold Hasenknopf","Coordination-driven self-assembly of polyoxometalates into discrete supramolecular triangles","Chem.Commun.","2012","48","","200","","10.1039/c1cc16155e","","","0.71073","MoKα","","0.0605","0.0413","","","0.1055","0.116","","","","","","1.037","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107150","23.209","0.001","25.099","0.001","20.61","0.001","90","","90","","90","","12005.8","0.9","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H84 Fe2 O4 P4 Si2 -","- C60 H84 Fe2 O4 P4 Si2 -","- C480 H672 Fe16 O32 P32 Si16 -","8","2","","Duncan Carmichael; Aurelie Escalle-Lewis; Xavier Le Goff; Gilles Frison; Eric Muller","Stepwise syntheses of tri- and tetraphosphaporphyrinogens","Chem.Commun.","2012","48","","302","304","10.1039/c1cc15421d","","","0.71069","MoKα","","0.097","0.0566","","","0.147","0.173","","","","","","1.036","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107151","13.995","0.001","14.05","0.001","14.447","0.001","108.305","0.001","106.23","0.001","109.092","0.001","2305.8","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H120 Fe2 K2 N6 O16 P4 -","- C84 H120 Fe2 K2 N6 O16 P4 -","- C84 H120 Fe2 K2 N6 O16 P4 -","1","0.5","","Duncan Carmichael; Aurelie Escalle-Lewis; Xavier Le Goff; Gilles Frison; Eric Muller","Stepwise syntheses of tri- and tetraphosphaporphyrinogens","Chem.Commun.","2012","48","","302","304","10.1039/c1cc15421d","","","0.71069","MoKα","","0.0506","0.0358","","","0.0938","0.0999","","","","","","1.059","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107152","17.606","0.001","16.733","0.001","27.421","0.001","90","","125.457","0.002","90","","6580.2","0.6","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H87 Fe K2 N2 O16 P3 -","- C63 H87 Fe K2 N2 O16 P3 -","- C252 H348 Fe4 K8 N8 O64 P12 -","4","1","","Duncan Carmichael; Aurelie Escalle-Lewis; Xavier Le Goff; Gilles Frison; Eric Muller","Stepwise syntheses of tri- and tetraphosphaporphyrinogens","Chem.Commun.","2012","48","","302","304","10.1039/c1cc15421d","","","0.71069","MoKα","","0.1279","0.0968","","","0.1646","0.1767","","","","","","1.209","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107153","7.17","0.009","9.739","0.013","25.97","0.03","90","","90","","90","","1813","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O4 -","- C21 H17 Br O4 -","- C84 H68 Br4 O16 -","4","1","","Xianxing Jiang; Lipeng Wu; Yanhong Xing; Long Wang; Shoulei Wang; Zongyao Chen; Rui Wang","Highly enantioselective Friedel-Crafts alkylation reaction catalyzed by rosin-derived tertiary amine-thiourea: synthesis of modified chromanes with anticancer potency","Chem.Commun.","2012","48","","446","","10.1039/c1cc14379d","","","0.71073","MoKα","","0.1087","0.0587","","","0.1109","0.1282","","","","","","0.954","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107154","22.805","0.004","16.318","0.003","16.59","0.003","90","","110.478","0.003","90","","5783.5","1.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 Cl Mo N2 P2 -","- C25 H41 Cl Mo N2 P2 -","- C200 H328 Cl8 Mo8 N16 P16 -","8","2","","Andrey Khalimon; Philip Farha; Lyudmila Kuzmina; Georgii Nikonov","Catalytic hydroboration by an imido-hydrido complex of Mo(IV)","Chem.Commun.","2012","48","","455","","10.1039/c1cc14508h","","","0.71073","MoKα","","0.148","0.061","","","0.1109","0.1332","","","","","","0.863","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107155","11.1844","0.0001","15.4199","0.0002","24.7809","0.0003","90","","91.93","0.01","90","","4271.35","0.09","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 B Cl2 F4 P3 Pt -","- C47 H44 B Cl2 F4 P3 Pt -","- C188 H176 B4 Cl8 F16 P12 Pt4 -","4","1","","Shubin Zhao; Rui-Yao Wang; Ha Nguyen; Jennifer J. Becker; Michel R. Gagne","Electrophilic fluorination of cationic Pt-aryl complexes","Chem.Commun.","2012","48","","443","","10.1039/c1cc15006e","","","1.54178","CuKα","","0.0245","0.0241","","","0.0604","0.0607","","","","","","1.08","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107156","31.7695","0.0019","10.0332","0.0006","33.988","0.003","90","","116.68","0.001","90","","9680.2","1.2","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H48 B F5 N O2 P3 Pt -","- C46 H41 B F5 P3 Pt -","- C368 H328 B8 F40 P24 Pt8 -","8","1","","Shubin Zhao; Rui-Yao Wang; Ha Nguyen; Jennifer J. Becker; Michel R. Gagne","Electrophilic fluorination of cationic Pt-aryl complexes","Chem.Commun.","2012","48","","443","","10.1039/c1cc15006e","","","0.71073","MoKα","","0.0374","0.0302","","","0.0685","0.0707","","","","","","1.045","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107157","13.666","0.001","17.484","0.002","22.34","0.002","95.002","0.001","113.18","0.001","96.172","0.001","4829.3","0.8","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46.75 B F9.5 N O1.38 P3.5 Pt -","- C48 H44 N P3 Pt -","- C192 H176 N4 P12 Pt4 -","4","2","","Shubin Zhao; Rui-Yao Wang; Ha Nguyen; Jennifer J. Becker; Michel R. Gagne","Electrophilic fluorination of cationic Pt-aryl complexes","Chem.Commun.","2012","48","","443","","10.1039/c1cc15006e","","","0.71073","MoKα","","0.0483","0.0339","","","0.0841","0.0876","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107158","11.0407","0.0011","13.9848","0.0014","31.459","0.003","89.798","0.001","85.884","0.001","89.751","0.001","4844.7","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H38 Co2 -","- C27 H38 Co2 -","- C216 H304 Co16 -","8","4","","Fernando Hung-Low; Jeremy Krogman; Jesse Tye; Chris Bradley","Development of more labile low electron count Co(I) sources: mild, catalytic functionalization of activated alkanes using a [(Cp*Co)2-?-(?4:?4-arene)] complex","Chem.Commun.","2012","48","","368","","10.1039/c1cc15458c","","","0.71073","MoKα","","0.0996","0.0856","","","0.1762","0.1816","","","","","","1.213","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107159","12.59","0.003","9.245","0.002","14.347","0.003","90","","112.057","0.004","90","","1547.7","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Co -","- C18 H27 Co -","- C72 H108 Co4 -","4","1","","Fernando Hung-Low; Jeremy Krogman; Jesse Tye; Chris Bradley","Development of more labile low electron count Co(I) sources: mild, catalytic functionalization of activated alkanes using a [(Cp*Co)2-?-(?4:?4-arene)] complex","Chem.Commun.","2012","48","","368","","10.1039/c1cc15458c","","","0.71073","MoKα","","0.0494","0.0374","","","0.0903","0.0973","","","","","","1.04","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107160","10.7933","0.0011","14.4889","0.0014","15.8761","0.0016","90","","97.072","0.001","90","","2463.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 N6 Ti -","- C26 H34 N6 Ti -","- C104 H136 N24 Ti4 -","4","1","","Amila Dissanayake; Aaron L. Odom","Single-step synthesis of pyrazoles using titanium catalysis","Chem.Commun.","2012","48","","440","","10.1039/c1cc15809k","","x-ray","0.71073","MoKα","","0.0403","0.033","","","0.0875","0.0928","","","","","","1.04","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107161","12.7703","0.0004","13.5522","0.0004","15.8528","0.0006","74.74","0.003","83.585","0.003","68.634","0.003","2464.55","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H33 Ag3 N10 O28 V10 -","- C20 H30 Ag3 N10 O28 V10 -","- C40 H60 Ag6 N20 O56 V20 -","2","1","","Thomas McGlone; Johannes Thiel; Carsten Streb; De-Liang Long; Leroy Cronin","An unprecedented silver-decavanadate dimer investigated using ion-mobility mass spectrometry","Chem.Commun.","2012","48","","359","","10.1039/c1cc15879a","","","0.71073","MoKα","","0.0365","0.0309","","","0.0758","0.0796","","","","","","1.06","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107162","7.0606","0.0018","12.444","0.003","21.593","0.006","90","","94.26","0.002","90","","1892","0.8","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Br F3 O3 -","- C21 H16 Br F3 O3 -","- C84 H64 Br4 F12 O12 -","4","2","","Kazutaka Shibatomi; Fumito Kobayashi; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","A Diels-Alder approach to the enantioselective construction of fluoromethylated stereogenic carbon centers","Chem.Commun.","2012","48","","413","","10.1039/c1cc15889a","","","0.7107","MoKα","","0.0577","0.0457","","","0.1157","0.1277","","","","","","1.03","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107163","12.773","0.003","6.0463","0.0013","13.4","0.003","90","","90.851","0.003","90","","1034.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O3 -","- C22 H22 Br N O3 -","- C44 H44 Br2 N2 O6 -","2","1","","Huicai Huang; Kailong Zhu; Wenbin Wu; Zhichao Jin; Jinxing Ye","Highly diastereoselective and enantioselective Michael addition of 5H-oxazol-4-ones to ?,?-unsaturated ketones catalyzed by a new bifunctional organocatalyst with broad substrate scope and applicability","Chem.Commun.","2012","48","","461","","10.1039/c1cc15928c","","","0.71073","MoKα","","0.0468","0.0374","","","0.115","0.1319","","","","","","0.96","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107164","13.896","0.003","16.21","0.004","21.14","0.005","90","","101.878","0.004","90","","4659.9","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl30 D10 N4 S8 Sn2 -","- C54.002 H72 Cl30.006 D10.002 N4 S8 Sn2 -","- C108.004 H144 Cl60.012 D20.004 N8 S16 Sn4 -","2","0.5","","Iran Rojas-Leon Jorge A. Guerrero-Alvarez Javier Hernandez-Paredes Herbert Hopfl","Solvent-solvent and solvent-solute interactions in a 3D chloroform clathrate with diorganotin macrocycles in the nano-sized pores","Chem.Commun.","2012","48","","401","","10.1039/c1cc15957g","","","0.71073","MoKα","","0.0521","0.0436","","","0.1063","0.112","","","","","","1.041","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107165","9.081","0.004","20.421","0.009","6.813","0.003","90","","92.902","0.008","90","","1261.8","1","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Feijun Wang; Mingliang Qu; Feng Chen; Li Li; Min Shi","An unusual Me3SiI-promoted [4+2] annulation and reduction: an efficient approach to construct 4H-benzopyrans","Chem.Commun.","2012","48","","437","","10.1039/c1cc16028a","","","0.71073","MoKα","","0.0686","0.0527","","","0.1484","0.1586","","","","","","1.105","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107166","19.6432","0.0017","10.0493","0.0008","9.1485","0.0008","90","","98.896","0.008","90","","1784.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O8 -","- C16 H24 O8 -","- C64 H96 O32 -","4","1","","Amol M. Vibhute; Rajesh G. Gonnade; R. S. Swathi; Kana M. Sureshan","Strength from weakness: opportunistic CH - O hydrogen bonds differentially dictate the conformational fate in solid and solution states","Chem.Commun.","2012","48","","717","","10.1039/c1cc15051k","","","0.71073","MoKα","","0.1665","0.0516","","","0.0975","0.1198","","","","","","0.783","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107167","11.5979","0.001","12.7445","0.0011","18.9854","0.0016","88.485","0.001","75.259","0.001","68.678","0.001","2521.3","0.4","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O8 -","- C26 H28 O8 -","- C104 H112 O32 -","4","2","","Amol M. Vibhute; Rajesh G. Gonnade; R. S. Swathi; Kana M. Sureshan","Strength from weakness: opportunistic CH - O hydrogen bonds differentially dictate the conformational fate in solid and solution states","Chem.Commun.","2012","48","","717","","10.1039/c1cc15051k","","","0.71073","MoKα","","0.0621","0.05","","","0.1158","0.1222","","","","","","1.08","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107168","6.2347","0.0003","9.7994","0.0005","21.2685","0.0012","90.067","0.004","96.665","0.004","96.717","0.004","1281.64","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H36 O8 -","- C22 H36 O8 -","- C44 H72 O16 -","2","1","","Amol M. Vibhute; Rajesh G. Gonnade; R. S. Swathi; Kana M. Sureshan","Strength from weakness: opportunistic CH - O hydrogen bonds differentially dictate the conformational fate in solid and solution states","Chem.Commun.","2012","48","","717","","10.1039/c1cc15051k","","","1.54184","CuKα","","0.1044","0.0706","","","0.2133","0.2389","","","","","","1.039","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107169","20.438","0.002","8.4112","0.0009","10.6083","0.0011","90","","104.937","0.002","90","","1762","0.3","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Amol M. Vibhute; Rajesh G. Gonnade; R. S. Swathi; Kana M. Sureshan","Strength from weakness: opportunistic CH - O hydrogen bonds differentially dictate the conformational fate in solid and solution states","Chem.Commun.","2012","48","","717","","10.1039/c1cc15051k","","","0.71073","MoKα","","0.0634","0.0536","","","0.119","0.1251","","","","","","1.181","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107170","12.8719","0.0017","9.8278","0.0013","32.197","0.004","90","","90","","90","","4073","0.9","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C184 H208 O56 -","8","1","","Amol M. Vibhute; Rajesh G. Gonnade; R. S. Swathi; Kana M. Sureshan","Strength from weakness: opportunistic CH - O hydrogen bonds differentially dictate the conformational fate in solid and solution states","Chem.Commun.","2012","48","","717","","10.1039/c1cc15051k","","","0.71073","MoKα","","0.1337","0.1224","","","0.2242","0.2291","","","","","","1.377","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107171","18.7371","0.0018","7.1054","0.0007","18.9941","0.0018","90","","108.872","0.001","90","","2392.8","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O7 -","- C29 H28 O7 -","- C116 H112 O28 -","4","1","","Amol M. Vibhute; Rajesh G. Gonnade; R. S. Swathi; Kana M. Sureshan","Strength from weakness: opportunistic CH - O hydrogen bonds differentially dictate the conformational fate in solid and solution states","Chem.Commun.","2012","48","","717","","10.1039/c1cc15051k","","","0.71073","MoKα","","0.0468","0.0396","","","0.0987","0.1032","","","","","","1.026","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107172","19.1076","0.0012","19.7346","0.0011","19.0033","0.0009","90","","90","","90","","7165.8","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H42 N4 O5 -","- C32 H42 N4 O5 -","- C256 H336 N32 O40 -","8","1","","Suman Maity; Sibaprasad Maity; Poulami Jana; Debasish Haldar","Supramolecular double helix from capped ?-peptide","Chem.Commun.","2012","48","","711","","10.1039/c1cc15570a","","","1.54178","CuKα","","0.0995","0.08","","","0.1692","0.1791","","","","","","1.108","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107173","12.4834","0.0008","13.8403","0.0009","14.9746","0.001","91.506","0.004","95.452","0.004","90.632","0.004","2574.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H37 N3 O4 -","- C25 H37 N3 O4 -","- C100 H148 N12 O16 -","4","2","","Suman Maity; Sibaprasad Maity; Poulami Jana; Debasish Haldar","Supramolecular double helix from capped ?-peptide","Chem.Commun.","2012","48","","711","","10.1039/c1cc15570a","","","0.71073","MoKα","","0.0661","0.0541","","","0.1528","0.17","","","","","","0.981","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107174","13.0299","0.0008","17.0758","0.0012","21.0409","0.0012","90","","104.414","0.005","90","","4534.2","0.5","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 F12 N7 P3 Ru -","- C38 H48 F12 N7 P3 Ru -","- C152 H192 F48 N28 P12 Ru4 -","4","1","","Emilie Lebon; Stephanie Bastin; Pierre Sutra; Laure Vendier; Remi E. Piau; Isabelle M. Dixon; Martial Boggio-Pasqua; Fabienne Alary; Jean-Louis Heully; Alain Igau; Alberto Juris","Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core ?","Chem.Commun.","2012","48","","741","","10.1039/c1cc15737j","","","0.71073","MoKα","","0.112","0.0578","","","0.1248","0.1381","","","","","","0.896","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107175","17.2051","0.0017","14.2527","0.0008","23.982","0.002","90","","99.011","0.012","90","","5808.3","0.8","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 F12 N7 P3 Ru -","- C44 H44 F12 N7 P3 Ru -","- C176 H176 F48 N28 P12 Ru4 -","4","1","","Emilie Lebon; Stephanie Bastin; Pierre Sutra; Laure Vendier; Remi E. Piau; Isabelle M. Dixon; Martial Boggio-Pasqua; Fabienne Alary; Jean-Louis Heully; Alain Igau; Alberto Juris","Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core ?","Chem.Commun.","2012","48","","741","","10.1039/c1cc15737j","","","0.71073","MoKα","","0.1161","0.0567","","","0.1314","0.1506","","","","","","0.817","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107176","31.0303","0.0014","18.2012","0.0008","28.6372","0.0013","90","","117.465","0.001","90","","14351","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C118 H140 Dy8 N32 O56 -","- C118 H120 Dy8 N32 O56 -","- C472 H480 Dy32 N128 O224 -","4","0.5","","Haiquan Tian; Lang Zhao; Yun-Nan Guo; Yang Guo; Jinkui Tang; Zhiliang Liu","Quadruple-CO3^2-^ bridged octanuclear dysprosium(III) compound showing single-molecule magnet behaviour","Chem.Commun.","2012","48","","708","","10.1039/c1cc15814g","","","0.71073","MoKα","","0.0909","0.0535","","","0.1285","0.1562","","","","","","1.077","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107177","13.1397","0.0013","14.8298","0.0014","16.2973","0.0015","72.535","0.005","69.311","0.005","68.257","0.005","2706.7","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N O4 -","- C34 H27 N O4 -","- C136 H108 N4 O16 -","4","2","","Farid Azizian; Amanda J. Field; B. Mark Heron; Colin Kilner","Intrinsically thermochromic fluorans","Chem.Commun.","2012","48","","750","","10.1039/c1cc15854f","","","0.71073","MoKα","","0.0719","0.0469","","","0.1186","0.1344","","","","","","1.025","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107178","8.4229","0.001","10.4692","0.0012","17.32","0.002","90","","94.296","0.002","90","","1523","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,1'-bis(pyridine-2yl-methyl)-2,2'-bipiperidine iron diperchlorate bis-acetonitrile","","- C26 H38 Cl2 Fe N6 O9 -","- C26 H38 Cl2 Fe N6 O9 -","- C52 H76 Cl4 Fe2 N12 O18 -","2","0.5","","Elena A. Mikhalyova; Olga V. Makhlynets; Alexander S. Filatov; Elena V. Rybak-Akimova","A new efficient iron catalyst for olefin epoxidation with hydrogen peroxide","Chem.Commun.","2012","48","","687","","10.1039/c1cc15935f","","","0.71073","Mo-Kα","","0.0933","0.0715","","","0.139","0.1487","","","","","","1.094","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107179","16.472","0.003","14.387","0.003","29.279","0.006","90","","93.82","0.004","90","","6923","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H40 Cd2 F12 N4 O12 -","- C59 H40 Cd2 F12 N4 O12 -","- C236 H160 Cd8 F48 N16 O48 -","4","1","","Jinsong Hu; Ling Qin; Mingdao Zhang; Xiaoqiang Yao; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Three self-penetrated, interlocked, and polycatenated supramolecular isomers via one-pot synthesis and crystallization","Chem.Commun.","2012","48","","681","","10.1039/c1cc16147d","","","0.71073","MoKα","","0.0737","0.0559","","","0.1392","0.1455","","","","","","1.014","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107180","20.547","0.0015","19.6754","0.0014","36.407","0.003","90","","98.484","0.001","90","","14557.2","1.9","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H40 Cd2 F12 N4 O12 -","- C59 H40 Cd2 F12 N4 O12 -","- C472 H320 Cd16 F96 N32 O96 -","8","1","","Jinsong Hu; Ling Qin; Mingdao Zhang; Xiaoqiang Yao; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Three self-penetrated, interlocked, and polycatenated supramolecular isomers via one-pot synthesis and crystallization","Chem.Commun.","2012","48","","681","","10.1039/c1cc16147d","","","0.71073","MoKα","","0.0754","0.0489","","","0.1151","0.1198","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107181","21.697","0.003","18.053","0.002","41.176","0.006","90","","103.682","0.002","90","","15671","4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H40 Cd2 F12 N4 O12 -","- C59 H40 Cd2 F12 N4 O12 -","- C472 H320 Cd16 F96 N32 O96 -","8","1","","Jinsong Hu; Ling Qin; Mingdao Zhang; Xiaoqiang Yao; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Three self-penetrated, interlocked, and polycatenated supramolecular isomers via one-pot synthesis and crystallization","Chem.Commun.","2012","48","","681","","10.1039/c1cc16147d","","","0.71073","MoKα","","0.0771","0.0494","","","0.1106","0.1153","","","","","","1.088","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107182","18.1397","0.0018","33.364","0.003","12.457","0.0012","90","","90","","90","","7539.1","1.2","297","2","297","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C80 H138 K2 N40 Na4 O101 P2 W18 -","- C80 H100 K2 N40 Na4 O101 P2 W18 -","- C160 H200 K4 N80 Na8 O202 P4 W36 -","2","0.5","","Jian Lu; Jing-Xiang Lin; Xiu-Ling Zhao; Rong Cao","Photochromic hybrid materials of cucurbituril and polyoxometalates as photocatalysts under visible light","Chem.Commun.","2012","48","","669","","10.1039/c1cc16268c","","","0.71073","MoKα","","0.0505","0.0451","","","0.1221","0.1409","","","","","","1.109","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107183","18.136","0.003","33.666","0.006","12.607","0.002","90","","90","","90","","7697","2","297","2","297","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C80 H100 N40 Na8 O95.88 P2 Rb2 W18 -","- C80 H100 N40 Na4 O95.9 P2 Rb2 W18 -","- C160 H200 N80 Na8 O191.8 P4 Rb4 W36 -","2","0.5","","Jian Lu; Jing-Xiang Lin; Xiu-Ling Zhao; Rong Cao","Photochromic hybrid materials of cucurbituril and polyoxometalates as photocatalysts under visible light","Chem.Commun.","2012","48","","669","","10.1039/c1cc16268c","","","0.71073","MoKα","","0.0944","0.0858","","","0.207","0.2184","","","","","","1.203","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107184","21.9609","0.0004","22.9148","0.0002","32.8557","0.0005","90","","90","","90","","16534","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H42 Dy2 F36 O18 S4 -","- C60 H42 Dy2 F36 O18 S4 -","- C480 H336 Dy16 F288 O144 S32 -","8","1","","Fabrice Fabrice Pointillart; Svetlana Klementieva; Viacheslav Kuropatov; Yann Le Gal; Stephane Golhen; Olivier Cador; Vladimir Cherkasov; Lahcene Ouahab","A single molecule magnet behaviour in a D3h symmetry Dy(III) complex involving a quinone-tetrathiafulvalene-quinone bridge","Chem.Commun.","2012","48","","714","","10.1039/c1cc16314k","","","0.71073","MoKα","","0.0881","0.0507","","","0.1392","0.1756","","","","","","1.115","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107185","26.443","0.005","22.306","0.004","17.858","0.003","90","0.005","114.895","0.006","90","0.005","9555","3","150","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H66 Cl6 Dy2 F18 O16 S10 -","- C81 H66 Cl6 Dy2 F18 O16 S10 -","- C324 H264 Cl24 Dy8 F72 O64 S40 -","4","0.5","","Fabrice Fabrice Pointillart; Svetlana Klementieva; Viacheslav Kuropatov; Yann Le Gal; Stephane Golhen; Olivier Cador; Vladimir Cherkasov; Lahcene Ouahab","A single molecule magnet behaviour in a D3h symmetry Dy(III) complex involving a quinone-tetrathiafulvalene-quinone bridge","Chem.Commun.","2012","48","","714","","10.1039/c1cc16314k","","","0.71069","MoKα","","0.1452","0.0814","","","0.2294","0.2838","","","","","","1.071","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107186","17.251","0.005","24.093","0.005","41.951","0.005","90","0.005","90","0.005","90","0.005","17436","7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C60 H42 F36 Gd2 O18 S4 -","- C60 H42 F36 Gd2 O18 S4 -","- C480 H336 F288 Gd16 O144 S32 -","8","1","","Fabrice Fabrice Pointillart; Svetlana Klementieva; Viacheslav Kuropatov; Yann Le Gal; Stephane Golhen; Olivier Cador; Vladimir Cherkasov; Lahcene Ouahab","A single molecule magnet behaviour in a D3h symmetry Dy(III) complex involving a quinone-tetrathiafulvalene-quinone bridge","Chem.Commun.","2012","48","","714","","10.1039/c1cc16314k","","","0.71073","MoKα","","0.1266","0.0677","","","0.1961","0.2515","","","","","","1.044","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107187","12.367","0.003","12.367","0.003","5.2934","0.0011","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C5 H8 Co N O5.5 S -","- C5 H7 Co N O5.5 S -","- C20 H28 Co4 N4 O22 S4 -","4","1","","Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng","Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals","Chem.Commun.","2012","48","","705","","10.1039/c1cc16336a","","","0.71073","MoKα","","0.1171","0.0841","","","0.1157","0.1245","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107188","5.3211","0.0011","9.6312","0.0019","9.764","0.002","90","","101.1","0.03","90","","491.03","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H11 Co N O7 S -","- C5 H11 Co N O7 S -","- C10 H22 Co2 N2 O14 S2 -","2","1","","Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng","Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals","Chem.Commun.","2012","48","","705","","10.1039/c1cc16336a","","","0.71073","MoKα","","0.0476","0.0401","","","0.0743","0.0763","","","","","","1.075","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107189","12.264","0.0017","12.264","0.0017","5.2535","0.0011","90","","90","","90","","790.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C5 H8 Co N O5.5 S -","- C5 H7 Co N O5.5 S -","- C20 H28 Co4 N4 O22 S4 -","4","1","","Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng","Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals","Chem.Commun.","2012","48","","705","","10.1039/c1cc16336a","","","0.71073","MoKα","","0.0811","0.0618","","","0.0853","0.0896","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107190","7.981","0.003","8.782","0.005","9.476","0.005","111.031","0.007","104.521","0.006","99.324","0.006","576.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Yinqiao Hu; Xiaolan Fu; Badru-Deen Barry; Xihe Bi; Dewen Dong","Regiospecific B-lactam ring-opening/recyclization reactions of N-aryl-3-spirocyclic-B-lactams catalyzed by a Lewis-Bronsted acids combined superacid catalyst system: a new entry to 3-spirocyclicquinolin-4(1H)-ones","Chem.Commun.","2012","48","","690","","10.1039/c1cc15881c","","","0.71069","MoKα","","0.0666","0.0481","","","0.121","0.136","","","","","","1.03","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107191","20.966","0.006","11.804","0.003","27.217","0.007","90","","92.748","0.005","90","","6728","3","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Ph-NCN)LuH(THF)3)(BPh4)","","","- C67 H84 B Lu N2 O3 -","- C67 H84 B Lu N2 O3 -","- C268 H336 B4 Lu4 N8 O12 -","4","1","","Jianhua Cheng; Zhaomin Hou","Cationic terminal hydrido rare earth complexes bearing an amidinate ancillary ligand","Chem.Commun.","2012","48","","814","","10.1039/c1cc14949k","","","0.71073","MoKα","","0.0575","0.0476","","","0.127","0.1327","","","","","","1.05","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107192","12.306","0.004","12.971","0.005","23.504","0.008","77.098","0.007","86.501","0.006","80.166","0.006","3602","2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","((Ph-NCN)Lu(NCN)(THF)2)(BPh4)","","","- C70 H90 B Lu N4 O2 -","- C70 H90 B Lu N4 O2 -","- C140 H180 B2 Lu2 N8 O4 -","2","1","","Jianhua Cheng; Zhaomin Hou","Cationic terminal hydrido rare earth complexes bearing an amidinate ancillary ligand","Chem.Commun.","2012","48","","814","","10.1039/c1cc14949k","","","0.71073","MoKα","","0.1173","0.0758","","","0.1548","0.1718","","","","","","0.949","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107193","14.5937","0.0015","40.384","0.004","28.73","0.003","90","","91.444","0.002","90","","16927","3","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Ph-NCN)Lu(THF)4)(BPh4)2","","","- C95 H111 B2 Lu N2 O4 -","- C95 H111 B2 Lu N2 O4 -","- C760 H888 B16 Lu8 N16 O32 -","8","2","","Jianhua Cheng; Zhaomin Hou","Cationic terminal hydrido rare earth complexes bearing an amidinate ancillary ligand","Chem.Commun.","2012","48","","814","","10.1039/c1cc14949k","","","0.71073","MoKα","","0.1137","0.0628","","","0.1207","0.1369","","","","","","0.903","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107194","15.062","0.005","16.053","0.005","16.125","0.005","115.236","0.005","106.9","0.005","98.019","0.005","3214.3","1.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","(((Ph-NCN)YH(THF)2)(BPh4))2","","","- C126 H152 B2 N4 O4 Y2 -","- C126 H152 B2 N4 O4 Y2 -","- C126 H152 B2 N4 O4 Y2 -","1","0.5","","Jianhua Cheng; Zhaomin Hou","Cationic terminal hydrido rare earth complexes bearing an amidinate ancillary ligand","Chem.Commun.","2012","48","","814","","10.1039/c1cc14949k","","","0.71069","MoKα","","0.109","0.0625","","","0.1269","0.1415","","","","","","0.875","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107195","15.0119","0.0015","16.0338","0.0016","16.0949","0.0015","115.524","0.002","106.633","0.002","98.134","0.002","3188.7","0.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","(((Ph-NCN)LuH(THF)2)(BPh4))2","","","- C126 H152 B2 Lu2 N4 O4 -","- C126 H152 B2 Lu2 N4 O4 -","- C126 H152 B2 Lu2 N4 O4 -","1","0.5","","Jianhua Cheng; Zhaomin Hou","Cationic terminal hydrido rare earth complexes bearing an amidinate ancillary ligand","Chem.Commun.","2012","48","","814","","10.1039/c1cc14949k","","","0.71073","MoKα","","0.084","0.0569","","","0.1107","0.1192","","","","","","0.945","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107196","6.5549","0.0011","11.7027","0.0019","31.294","0.005","90","","90","","90","","2400.6","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 B10 N O4 -","- C18 H29 B10 N O4 -","- C72 H116 B40 N4 O16 -","4","1","","H. Y. Vincent Ching; Damian P. Buck; Mohan Bhadbhade; J. Grant Collins; Louis M. Rendina","A Ternary Supramolecular System Containing a Boronated DNA-Metallointercalator, b-Cyclodextrin and the Hexanucleotide d(GTCGAC)<sub>2</sub>","Chem.Commun.","2012","48","","880","","10.1039/c1cc15552k","","","0.71073","MoKα","","0.0469","0.0394","","","0.0905","0.0943","","","","","","1.027","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107197","8.676","0.0008","12.8793","0.0013","9.4794","0.0011","90","","99.158","0.001","90","","1045.73","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Bo Jiang; Mian-Shuai Yi; Feng Shi; Shujiang Tu; Suresh Pindi; Patrick McDowell; Gguigen Li","A Multi-component Domino Reaction for the Direct Access to Polyfunctionalized indoles via Intermolecular Allylic sp3-C-H Esterification and Indolation","Chem.Commun.","2012","48","","808","","10.1039/c1cc15913e","","","0.71073","MoKα","","0.0638","0.0373","","","0.0564","0.0607","","","","","","1.009","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107198","10.0878","0.0013","11.1881","0.0013","15.2089","0.0016","106.6","0.002","100.541","0.002","95.965","0.001","1594.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N2 O2 -","- C42 H34 N2 O2 -","- C84 H68 N4 O4 -","2","1","","Bo Jiang; Mian-Shuai Yi; Feng Shi; Shujiang Tu; Suresh Pindi; Patrick McDowell; Gguigen Li","A Multi-component Domino Reaction for the Direct Access to Polyfunctionalized indoles via Intermolecular Allylic sp3-C-H Esterification and Indolation","Chem.Commun.","2012","48","","808","","10.1039/c1cc15913e","","","0.71073","MoKα","","0.2184","0.1","","","0.195","0.2288","","","","","","1.044","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107199","13.41","0.005","13.41","0.005","8.943","0.005","90","","90","","120","","1392.7","1.1","296","2","296","2","","","","","","","","4","P 31","P 31","144","","","","- C20 H25 O2 P -","- C20 H25 O2 P -","- C60 H75 O6 P3 -","3","1","","Depeng Zhao; Lijuan Mao; Linqing Wang; Dongxu Yang; Rui Wang","Catalytic asymmetric construction of tetrasubstituted carbon stereocenters by conjugate addition of dialkyl phosphine oxides to B,B-disubstituted a,B-unsaturated carbonyl compounds","Chem.Commun.","2012","48","","889","","10.1039/c1cc16079f","","","0.71073","MoKα","","0.115","0.0604","","","0.1176","0.1399","","","","","","1.007","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107200","24.65","0.02","24.65","0.02","19.73","0.019","90","","90","","120","","10382","16","110","2","110","2","","","","","","","","5","P 61","P 61","169","","","","- C30 H26 Co3 N2 O12 -","- C30 H26 Co3 N2 O12 -","- C180 H156 Co18 N12 O72 -","6","1","","Jinhee Park; Jian-Rong Li; E. Carolina Sanudo; Daqiang Yuan; Hong-Cai Zhou","A porous metal-organic framework with helical chain building units exhibiting facile transition from micro- to meso-porosity","Chem.Commun.","2012","48","","883","","10.1039/c1cc16261f","","","0.71073","MoKα","","0.0229","0.0208","","","0.0495","0.05","","","","","","0.979","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107201","23.394","0.004","23.394","0.004","49.524","0.009","90","","90","","90","","27103","8","110","2","110","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C24 H15 Co N2 O4.5 -","- C24 H15 Co N2 O4.5 -","- C384 H240 Co16 N32 O72 -","16","1","","Jinhee Park; Jian-Rong Li; E. Carolina Sanudo; Daqiang Yuan; Hong-Cai Zhou","A porous metal-organic framework with helical chain building units exhibiting facile transition from micro- to meso-porosity","Chem.Commun.","2012","48","","883","","10.1039/c1cc16261f","","","0.71073","MoKα","","0.0894","0.0466","","","0.082","0.0903","","","","","","0.842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107202","8.1051","0.0002","11.3327","0.0002","15.9497","0.0003","72.039","0.001","87.578","0.001","83.116","0.001","1383.56","0.05","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C25 H19 Cu2 N11 O2 S3 -","- C25 H19 Cu2 N11 O2 S3 -","- C50 H38 Cu4 N22 O4 S6 -","2","1","","Enrique Colacio; Jesus E. Perea-Buceta; Antonio J. Mota; Euan K. Brechin; Alessandro Prescimone; Mikko M. Hanninen; Petri Seppala; Reijo Sillanpaa","Touching the upper limit for ferromagnetic interactions in hetero-bridged dinuclear [Cu2II] complexes using a novel N5-dinucleating ligand bearing an endogenous monoatomic amido(R-NH-)-bridging group","Chem.Commun.","2012","48","","805","","10.1039/c1cc16590a","","x-ray","0.71073","MoKα","","0.0437","0.0338","","","0.0742","0.0784","","","","","","1.039","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107203","15.2701","0.0007","12.6225","0.0007","18.4419","0.0008","90","","114.855","0.003","90","","3225.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cu2 F6 N12 O6 S2 -","- C26 H18 Cu2 F6 N12 O6 S2 -","- C104 H72 Cu8 F24 N48 O24 S8 -","4","1","","Enrique Colacio; Jesus E. Perea-Buceta; Antonio J. Mota; Euan K. Brechin; Alessandro Prescimone; Mikko M. Hanninen; Petri Seppala; Reijo Sillanpaa","Touching the upper limit for ferromagnetic interactions in hetero-bridged dinuclear [Cu2II] complexes using a novel N5-dinucleating ligand bearing an endogenous monoatomic amido(R-NH-)-bridging group","Chem.Commun.","2012","48","","805","","10.1039/c1cc16590a","","x-ray","0.71073","MoKα","","0.0967","0.0605","","","0.1228","0.139","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107204","7.2424","0.0002","12.4631","0.0004","15.704","0.0004","82.15","0.002","85.467","0.002","78.319","0.002","1373.19","0.07","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H26 Cu2 N10 O12 -","- C22 H26 Cu2 N10 O12 -","- C44 H52 Cu4 N20 O24 -","2","1","","Enrique Colacio; Jesus E. Perea-Buceta; Antonio J. Mota; Euan K. Brechin; Alessandro Prescimone; Mikko M. Hanninen; Petri Seppala; Reijo Sillanpaa","Touching the upper limit for ferromagnetic interactions in hetero-bridged dinuclear [Cu2II] complexes using a novel N5-dinucleating ligand bearing an endogenous monoatomic amido(R-NH-)-bridging group","Chem.Commun.","2012","48","","805","","10.1039/c1cc16590a","","x-ray","0.71073","MoKα","","0.0514","0.0378","","","0.0772","0.0823","","","","","","1.052","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107205","9.6951","0.0002","20.5032","0.0004","13.9332","0.0003","90","","104.625","0.001","90","","2679.91","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Au F6 P Sb -","- C25 H33 Au F6 P Sb -","- C100 H132 Au4 F24 P4 Sb4 -","4","1","","Rajashekharayya A.Sanguramath; Sanjib K.Patra; Michael Green; Christopher A. Russell","The coordination and polymerisation of cyclic 1,3-dienes by gold(I) cations","Chem.Commun.","2012","48","","1060","","10.1039/c1cc16193h","","","0.71073","MoKα","","0.0212","0.0188","","","0.0476","0.0491","","","","","","1","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107206","8.4126","0.0011","13.2481","0.0019","12.0197","0.0015","90","","103.296","0.008","90","","1303.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H39 Au F6 P Sb -","- C22 H39 Au F6 P Sb -","- C44 H78 Au2 F12 P2 Sb2 -","2","1","","Rajashekharayya A.Sanguramath; Sanjib K.Patra; Michael Green; Christopher A. Russell","The coordination and polymerisation of cyclic 1,3-dienes by gold(I) cations","Chem.Commun.","2012","48","","1060","","10.1039/c1cc16193h","","","0.71073","MoKα","","0.0394","0.0321","","","0.0635","0.0666","","","","","","0.945","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107207","16.455","0.006","16.455","0.006","58.56","0.02","90","","90","","120","","13732","8","113","2","113","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C56 H88.5 Cl0.5 N36 Ni9 O23 -","- C56 H72 Cl0.5 N36 Ni9 O23 -","- C336 H432 Cl3 N216 Ni54 O138 -","6","0.166667","","Jing-Yuan Xu; Hai-Bin Song; Gong-Feng Xu; Xin Qiao; Shi-Ping Yan; Dai-Zheng Liao; Yves Journaux; Joan Cano","A new enneanuclear nickel(II) cluster with a rectangular face-centered trigonal prism structure and cluster glass behavior","Chem.Commun.","2012","48","","1015","","10.1039/c1cc16243h","","","0.7107","MoKα","","0.0602","0.0574","","","0.1443","0.1462","","","","","","1.235","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107208","10.9061","0.0004","14.504","0.0005","21.1718","0.0007","90","","100.216","0.0019","90","","3295.9","0.2","173.1","","173.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 B I N4 -","- C34 H44 B I N4 -","- C136 H176 B4 I4 N16 -","4","1","","Travis Lundrigan; Sarah M. Crawford; T. Stanley Cameron; Alison Thompson","Cl-BODIPYs: a BODIPY class enabling facile B-substitution","Chem.Commun.","2012","48","","1003","","10.1039/c1cc16351e","","","0.7107","MoKα","","","0.0361","","","","0.0414","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107209","9.4377","0.0016","15.912","0.003","20.94","0.003","72.94","0.004","82.84","0.004","78.612","0.004","2939.6","0.9","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H41 Cu2 F12 N19 O8 P2 -","- C52 H35 Cu2 F12 N17 O8 P2 -","- C104 H70 Cu4 F24 N34 O16 P4 -","2","1","","Luke A. Burke; Grazia Gonella; Fenton Heirtzler; Hai-Lung Dai; Stephanie Jones; Jon Zubieta; Alex J. Roche","A Self-assembled, Metalloorganic Supramolecular Frequency Doubler","Chem.Commun.","2012","48","","1000","","10.1039/c2cc16199k","","x-ray","0.71073","MoKα","","0.13","0.0672","","","0.1543","0.1773","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107210","9.2224","0.0014","10.4748","0.0016","10.2384","0.0016","90","","104.482","0.003","90","","957.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 Br F2 N O2 -","- C20 H18 Br F2 N O2 -","- C40 H36 Br2 F4 N2 O4 -","2","1","","Qianyi Zhao; Xiaoyu Han; Yin Wei; Min Shi; Yixin Lu","Asymmetric [3+2] annulation of allenes with maleimides catalyzed by dipeptide-derived phosphines: facile creation of functionalized bicyclic cyclopentenes containing two tertiary stereogenic centers","Chem.Commun.","2012","48","","970","","10.1039/c2cc16904e","","","0.71073","MoKα","","0.092","0.0402","","","0.088","0.1005","","","","","","0.887","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107211","14.2927","0.0011","6.5471","0.0005","16.4441","0.0014","90","","93.366","0.002","90","","1536.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Qianyi Zhao; Xiaoyu Han; Yin Wei; Min Shi; Yixin Lu","Asymmetric [3+2] annulation of allenes with maleimides catalyzed by dipeptide-derived phosphines: facile creation of functionalized bicyclic cyclopentenes containing two tertiary stereogenic centers","Chem.Commun.","2012","48","","970","","10.1039/c2cc16904e","","","0.71073","MoKα","","0.0653","0.0547","","","0.1648","0.1751","","","","","","0.987","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107212","8.96","0.007","21.905","0.017","20.488","0.016","90","","98.968","0.017","90","","3972","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Br N2 O3 -","- C21 H25 Br N2 O3 -","- C168 H200 Br8 N16 O24 -","8","2","","Qianyi Zhao; Xiaoyu Han; Yin Wei; Min Shi; Yixin Lu","Asymmetric [3+2] annulation of allenes with maleimides catalyzed by dipeptide-derived phosphines: facile creation of functionalized bicyclic cyclopentenes containing two tertiary stereogenic centers","Chem.Commun.","2012","48","","970","","10.1039/c2cc16904e","","","0.71073","MoKα","","0.132","0.0646","","","0.1571","0.1916","","","","","","1.01","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107213","12.4091","0.0005","12.4765","0.0005","14.3009","0.0006","73.632","0.002","66.354","0.002","63.883","0.002","1806.15","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H58 Dy2 N4 O14 -","- C90 H58 Dy2 N4 O14 -","- C90 H58 Dy2 N4 O14 -","1","0.5","","Yu-mei Song; Feng Luo; Ming-biao Luo; Zhen-wei Liao; Gong-ming Sun; Xiao-zhao Tian; Yan Zhu; Zi-Jun Yuan; Shu-juan Liu; Wen-yuan Xu; Xue-feng Feng","The application of single-crystal-to-single-crystal transformation towards adjustable SMM properties","Chem.Commun.","2012","48","","1006","","10.1039/c2cc17080a","","","0.71073","MoKα","","0.0166","0.0159","","","0.0402","0.0406","","","","","","1.078","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107214","12.4295","0.001","12.4759","0.001","14.3003","0.0012","73.492","0.005","66.206","0.005","63.907","0.005","1806.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Dy2 N4 O13 -","- C90 H62 Dy2 N4 O13 -","- C90 H62 Dy2 N4 O13 -","1","0.5","","Yu-mei Song; Feng Luo; Ming-biao Luo; Zhen-wei Liao; Gong-ming Sun; Xiao-zhao Tian; Yan Zhu; Zi-Jun Yuan; Shu-juan Liu; Wen-yuan Xu; Xue-feng Feng","The application of single-crystal-to-single-crystal transformation towards adjustable SMM properties","Chem.Commun.","2012","48","","1006","","10.1039/c2cc17080a","","","0.71073","MoKα","","0.0331","0.0275","","","0.0637","0.0658","","","","","","1.094","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107215","12.1856","0.0003","12.7654","0.0003","13.0999","0.0003","88.574","0.001","62.341","0.002","80.651","0.001","1777.93","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H58 Dy2 N4 O12 -","- C90 H58 Dy2 N4 O12 -","- C90 H58 Dy2 N4 O12 -","1","0.5","","Yu-mei Song; Feng Luo; Ming-biao Luo; Zhen-wei Liao; Gong-ming Sun; Xiao-zhao Tian; Yan Zhu; Zi-Jun Yuan; Shu-juan Liu; Wen-yuan Xu; Xue-feng Feng","The application of single-crystal-to-single-crystal transformation towards adjustable SMM properties","Chem.Commun.","2012","48","","1006","","10.1039/c2cc17080a","","","0.71073","MoKα","","0.0198","0.0174","","","0.0431","0.044","","","","","","1.066","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107216","12.1869","0.0003","12.7681","0.0003","13.102","0.0004","88.617","0.002","62.322","0.001","80.683","0.002","1778.57","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H58 Dy2 N4 O12 -","- C90 H58 Dy2 N4 O12 -","- C90 H58 Dy2 N4 O12 -","1","0.5","","Yu-mei Song; Feng Luo; Ming-biao Luo; Zhen-wei Liao; Gong-ming Sun; Xiao-zhao Tian; Yan Zhu; Zi-Jun Yuan; Shu-juan Liu; Wen-yuan Xu; Xue-feng Feng","The application of single-crystal-to-single-crystal transformation towards adjustable SMM properties","Chem.Commun.","2012","48","","1006","","10.1039/c2cc17080a","","","0.71073","MoKα","","0.0252","0.0212","","","0.0476","0.0487","","","","","","1.063","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107217","22.533","0.0004","7.7883","0.00012","12.96404","0.0002","90","","90","","90","","2275.11","0.06","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","(1,3-Dimesitylimidazolin-2-ylidene)-dimethyl-methoxy- gallium(iii)","(1,3-Dimesitylimidazolin-2-ylidene)-dimethyl-methoxy-gallium(iii)","","- C24 H35 Ga N2 O -","- C24 H35 Ga N2 O -","- C96 H140 Ga4 N8 O4 -","4","1","","Pawel Horeglad; Grzegorz Szczepaniak; Maciej Dranka; Janusz Zachara","The first facile stereoselectivity switch in the polymerization of rac-lactide‒from heteroselective dialkylgallium alkoxides to isoselective dialkylgallium alkoxides stabilized with NHC carbenes","Chem.Commun.","2012","48","","1171","","10.1039/c2cc16072b","","","0.71073","MoKα","","0.0289","0.026","","","0.0637","0.0655","","","","","","1.051","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107218","12.5308","0.0005","13.2108","0.0007","17.1002","0.0007","72.63","0.004","74.402","0.003","65.923","0.004","2431.3","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H69 N2 O5 V -","- C53 H69 N2 O5 V -","- C106 H138 N4 O10 V2 -","2","1","","Carl Redshaw; Mark R. J. Elsegood; Joseph A. Wright; Hugo Baillie-Johnson; Takehiko Yamato; Stephen De Giovanni; Anja Mueller","Cellular uptake of a fluorescent vanadyl sulfonylcalix[4]arene","Chem.Commun.","2012","48","","1129","","10.1039/c2cc16480a","","x-ray","0.71073","MoKα","","0.1015","0.0492","","","0.1029","0.1184","","","","","","0.941","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107219","16.663","0.003","13.179","0.002","26.712","0.005","90","","94.201","0.002","90","","5850.2","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H84.5 N1.5 O9 V2 -","- C59 H83 N1.5 O9 V2 -","- C236 H332 N6 O36 V8 -","4","1","","Carl Redshaw; Mark R. J. Elsegood; Joseph A. Wright; Hugo Baillie-Johnson; Takehiko Yamato; Stephen De Giovanni; Anja Mueller","Cellular uptake of a fluorescent vanadyl sulfonylcalix[4]arene","Chem.Commun.","2012","48","","1129","","10.1039/c2cc16480a","","","0.6942","SYNCHROTRON","","0.1397","0.0888","","","0.231","0.2686","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107220","25.0873","0.001","16.7913","0.0007","26.7582","0.0011","90","","90","","90","","11271.8","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50.5 H66.75 N2.25 O15 S4 V -","- C50.5 H66 N2.25 O15 S4 V -","- C404 H528 N18 O120 S32 V8 -","8","1","","Carl Redshaw; Mark R. J. Elsegood; Joseph A. Wright; Hugo Baillie-Johnson; Takehiko Yamato; Stephen De Giovanni; Anja Mueller","Cellular uptake of a fluorescent vanadyl sulfonylcalix[4]arene","Chem.Commun.","2012","48","","1129","","10.1039/c2cc16480a","","","0.71073","MoKα","","0.0645","0.0496","","","0.1361","0.1483","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107221","19.68","0.0007","11.5784","0.0004","23.5588","0.0009","90","","109.527","0.004","90","","5059.4","0.3","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Dipentoxy-p-tert-butylcalix(4)areneH2","1,3-Dipentoxy-p-tert-butylcalix[4]areneH2","","- C56 H79 N O4 -","- C56 H79 N O4 -","- C224 H316 N4 O16 -","4","1","","Carl Redshaw; Mark R. J. Elsegood; Joseph A. Wright; Hugo Baillie-Johnson; Takehiko Yamato; Stephen De Giovanni; Anja Mueller","Cellular uptake of a fluorescent vanadyl sulfonylcalix[4]arene","Chem.Commun.","2012","48","","1129","","10.1039/c2cc16480a","","x-ray","0.71073","MoKα","","0.1611","0.1007","","","0.214","0.247","","","","","","1.079","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107222","9.5616","0.0003","9.3551","0.0003","20.8303","0.0006","90","","100.119","0.001","90","","1834.28","0.1","100","1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O6 -","- C23 H16 O6 -","- C92 H64 O24 -","4","1","","Dongdong Wu; Lei Wang; Kai Xu; Jia Song; Hong-Kun Fun; JianHua Xu; Yan Zhang","Facile and highly atom-economic method to build biaryl-containing medium-ring lactones","Chem.Commun.","2012","48","","1168","","10.1039/c2cc16492b","","","0.71073","MoKα","","0.054","0.0418","","","0.1066","0.1155","","","","","","1.04","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107223","8.6883","0.0004","17.1238","0.0007","11.0471","0.0004","90","","95.946","0.001","90","","1634.71","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C80 H56 N8 O16 -","4","1","","Dongdong Wu; Lei Wang; Kai Xu; Jia Song; Hong-Kun Fun; JianHua Xu; Yan Zhang","Facile and highly atom-economic method to build biaryl-containing medium-ring lactones","Chem.Commun.","2012","48","","1168","","10.1039/c2cc16492b","","","0.71073","MoKα","","0.0823","0.05","","","0.1419","0.1643","","","","","","1.016","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107224","8.5137","0.0001","17.0468","0.0002","12.0568","0.0001","90","","90.034","0.001","90","","1749.82","0.03","100","1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Dongdong Wu; Lei Wang; Kai Xu; Jia Song; Hong-Kun Fun; JianHua Xu; Yan Zhang","Facile and highly atom-economic method to build biaryl-containing medium-ring lactones","Chem.Commun.","2012","48","","1168","","10.1039/c2cc16492b","","","0.71073","MoKα","","0.0772","0.0553","","","0.1291","0.1424","","","","","","1.036","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107225","9.3387","0.0003","10.1491","0.0003","15.4308","0.0005","91.6768","0.0004","90.8227","0.0004","99.6424","0.0003","1440.97","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 N P Ru Si -","- C31 H46 N P Ru Si -","- C62 H92 N2 P2 Ru2 Si2 -","2","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0246","0.0224","","","0.0594","0.0608","","","","","","1.034","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107226","10.3542","0.0005","16.6143","0.0008","15.3008","0.0008","90","","94.3988","0.0005","90","","2624.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 N P Ru Si -","- C29 H40 N P Ru Si -","- C116 H160 N4 P4 Ru4 Si4 -","4","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0207","0.0195","","","0.053","0.0537","","","","","","1.047","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107227","15.862","0.0004","10.3058","0.0002","16.0399","0.0004","90","","113.081","0.0002","90","","2412.16","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Cl N P Rh Si -","- C23 H36 Cl N P Rh Si -","- C92 H144 Cl4 N4 P4 Rh4 Si4 -","4","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0204","0.0197","","","0.0568","0.0574","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107228","15.8428","0.0016","10.3414","0.0011","16.0067","0.0016","90","","112.887","0.001","90","","2416","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Cl Ir N P Si -","- C23 H36 Cl Ir N P Si -","- C92 H144 Cl4 Ir4 N4 P4 Si4 -","4","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0176","0.0161","","","0.0409","0.0415","","","","","","1.037","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107229","8.5401","0.0006","9.8992","0.0007","18.8502","0.0013","93.9595","0.0007","100.299","0.0007","106.656","0.0007","1489.85","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H45 Cl N P2 Rh Si -","- C26 H45 Cl N P2 Rh Si -","- C52 H90 Cl2 N2 P4 Rh2 Si2 -","2","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0218","0.0204","","","0.0542","0.0553","","","","","","1.057","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107230","14.8703","0.0004","15.7929","0.0004","26.5312","0.0007","90","","90","","90","","6230.7","0.3","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C27 H38 F3 N O3 P Pd S Si -","- C27 H38 F3 N O3 P Pd S Si -","- C216 H304 F24 N8 O24 P8 Pd8 S8 Si8 -","8","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0245","0.0208","","","0.0534","0.0556","","","","","","1.056","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107231","18.097","0.003","16.248","0.002","19.608","0.003","90","","90","","90","","5765.5","1.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl N P2 Pt Si -","- C26 H44 Cl N P2 Pt Si -","- C208 H352 Cl8 N8 P16 Pt8 Si8 -","8","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0293","0.0241","","","0.0526","0.0543","","","","","","1.116","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107232","20.25","0.003","20.25","0.003","84.201","0.019","90","","90","","90","","34528","11","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C204 H342 Ag44 N10 O110 V36 -","- C204 H324 Ag44 N10 O110 V36 -","- C816 H1296 Ag176 N40 O440 V144 -","4","0.25","","Yun-Peng Xie; Thomas Mak","A pyrovanadate-templated silver(I)-ethynide cluster circumscribed by macrocyclic polyoxovanadate(V)","Chem.Commun.","2012","48","","1123","","10.1039/c2cc16756e","","","0.71073","MoKα","","0.1355","0.0981","","","0.2236","0.2448","","","","","","1.096","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107233","12.509","0.002","15.315","0.003","21.513","0.003","90","","95.696","0.003","90","","4101","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 Cu2 N9 O14 -","- C40 H37 Cu2 N9 O14 -","- C160 H148 Cu8 N36 O56 -","4","1","","Caixia Yuan; Miaoli Zhu; Qingming Wang; Liping Lu","Potent and Selective Inhibition of T-cell Protein Tyrosine Phosphatase(TCPTP) by a Dinuclear Copper(II) Complex","Chem.Commun.","2012","48","","1153","","10.1039/c2cc16818a","","","0.71073","MoKα","","0.1383","0.0938","","","0.1903","0.2133","","","","","","1.14","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107234","15.3","0.002","26.902","0.004","31.342","0.005","90","","90","","90","","12900","3","110","2","110","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 In N2 O8 -","- C16 H10 In N2 O8 -","- C256 H160 In16 N32 O128 -","16","0.5","","Bizhen Yuan; Deyun Ma; Xi Wang; Zhong Li; Yingwei Li; Huimin Liu; Dehua He","A microporous, moisture-stable, and amine-functionalized metal-organic framework for highly selective separation of CO2 from CH4","Chem.Commun.","2012","48","","1135","","10.1039/c2cc16923a","","","0.71073","MoKα","","0.0342","0.0278","","","0.0758","0.0778","","","","","","1.073","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7107235","12.7","0.004","15.684","0.005","22.216","0.007","97.549","0.005","95.21","0.005","103.775","0.005","4226","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- H148 Mn7 Na14 O192 P4 W30 -","- Mn7 Na6 O192 P4 W30 -","- Mn7 Na6 O192 P4 W30 -","1","0.5","","Xikui Fang; Paul Kogerler; Manfred Speldrich; Helmut Schilder; Marshall Luban","Polyoxometalate-Based Single-Molecule Magnet with an S = 21/2 Ground State","Chem.Commun.","2012","48","","1218","","10.1039/c1cc15520b","","","0.71073","MoKα","","0.0797","0.0637","","","0.1474","0.1568","","","","","","1.033","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107236","5.5476","0.0008","11.7755","0.0016","20.368","0.002","90","","90","","90","","1330.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F6 N5 O P -","- C9 H10 F6 N5 O P -","- C36 H40 F24 N20 O4 P4 -","4","1","","Kwang-Ming Lee; Jack C. C. Chen; Hsing-Yin Chen; Ivan J. B. Lin","A triple helical structure supported solely by C-HO hydrogen bonding","Chem.Commun.","2012","48","","1242","","10.1039/c1cc15656j","","","0.71073","MoKα","","0.0427","0.0368","","","0.0944","0.0993","","","","","","1.036","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107237","4.936","0.003","9.726","0.005","10.03","0.005","90","","95.299","0.005","90","","479.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H16 Cl N3 O3 S -","- C4 H16 Cl N3 O3 S -","- C8 H32 Cl2 N6 O6 S2 -","2","0.5","","Luke J. Murphy; Alex M. McPherson; Katherine N. Robertson; Jason A. C. Clyburne","Ionic Liquids and Acid Gas Capture: Water and Oxygen as Confounding Factors","Chem.Commun.","2012","48","","1227","","10.1039/c1cc16008g","","","0.71073","MoKα","","0.0386","0.0324","","","0.0802","0.0841","","","","","","1.063","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107238","6.746","0.003","8.502","0.004","9.273","0.004","110.552","0.004","95.519","0.005","94.516","0.005","492.1","0.4","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H17 N3 O4 S -","- C4 H17 N3 O4 S -","- C8 H34 N6 O8 S2 -","2","1","","Luke J. Murphy; Alex M. McPherson; Katherine N. Robertson; Jason A. C. Clyburne","Ionic Liquids and Acid Gas Capture: Water and Oxygen as Confounding Factors","Chem.Commun.","2012","48","","1227","","10.1039/c1cc16008g","","","0.71073","MoKα","","0.0422","0.0344","","","0.0881","0.0934","","","","","","1.044","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107239","19.3685","0.0012","9.343","0.0006","19.1564","0.0012","90","","102.081","0.004","90","","3389.8","0.4","296","2","293","2","","","","","","","Synthesised","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl2 Cu N8 O9 -","- C26 H36 Cl2 Cu N8 O9 -","- C104 H144 Cl8 Cu4 N32 O36 -","4","1","","Apurba Kalita; Pankaj Kumar; Ramesh C. Deka; Biplab Mondal","First example of Cu(I)-(e2-O,O)nitrite complex derived from Cu(II)-pnitrosyl","Chem.Commun.","2012","48","","1251","","10.1039/c1cc16316g","","x-ray","0.71073","MoKα","","0.2115","0.1405","","","0.399","0.4091","","","","","","2.052","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107240","9.471","0.0002","9.4545","0.0002","18.3295","0.0005","90","","90.054","0.001","90","","1641.29","0.07","296","2","296","2","","","","","","","Synthesised","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H36 Cu N9 O6 -","- C26 H36 Cu N9 O6 -","- C52 H72 Cu2 N18 O12 -","2","0.5","","Apurba Kalita; Pankaj Kumar; Ramesh C. Deka; Biplab Mondal","First example of Cu(I)-(e2-O,O)nitrite complex derived from Cu(II)-pnitrosyl","Chem.Commun.","2012","48","","1251","","10.1039/c1cc16316g","","x-ray","0.71073","MoKα","","0.0674","0.0582","","","0.1951","0.202","","","","","","1.1","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107241","9.3488","0.0006","11.1223","0.0007","18.8929","0.0011","77.839","0.003","86.532","0.003","82.881","0.003","1904.4","0.2","296","2","296","2","","","","","","","synthesised","6","P -1","-P 1","2","","","","- C30 H42 Cl2 Cu N10 O8 -","- C30 H42 Cl2 Cu N10 O8 -","- C60 H84 Cl4 Cu2 N20 O16 -","2","1","","Apurba Kalita; Pankaj Kumar; Ramesh C. Deka; Biplab Mondal","First example of Cu(I)-(e2-O,O)nitrite complex derived from Cu(II)-pnitrosyl","Chem.Commun.","2012","48","","1251","","10.1039/c1cc16316g","","x-ray","0.71073","MoKα","","0.0847","0.0576","","","0.1675","0.1888","","","","","","1.039","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107242","10.7414","0.0012","12.1903","0.0012","32.074","0.003","90","","90","","90","","4199.8","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H44 O4 Si2 -","- C52 H44 O4 Si2 -","- C208 H176 O16 Si8 -","4","1","","Takanori Shibata; Toshifumi Uchiyama; Yusuke Yoshinami; Satoshi Takayasu; Kyoji Tsuchikama; Kohei Endo","Highly enantioselective synthesis of silahelicenes using Ir-catalyzed [2+2+2] cycloaddition","Chem.Commun.","2012","48","","1311","","10.1039/c1cc16762f","","","0.71075","MoKα","","","0.0576","","","","0.1727","","","","","","1.29","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107243","10.437","0.002","18.553","0.003","25.766","0.005","90","","95.542","0.006","90","","4965.9","1.6","93","2","93","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H61 Cl F6 N2 O4 P Ru Sb -","- C47 H57 Cl F6 N2 O4 P Ru Sb -","- C188 H228 Cl4 F24 N8 O16 P4 Ru4 Sb4 -","4","1","","Olivier Songis; Alexandra M. Z. Slawin; Catherine S. J. Cazin","An unusual cationic Ru(II) indenylidene complex and its Ru(III) derivative-efficient catalysts for high temperature olefin metathesis reactions","Chem.Commun.","2012","48","","1266","","10.1039/c2cc15903a","","","0.71073","MoKα","","0.0547","0.0409","","","0.0948","0.1054","","","","","","1.05","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107244","14.297","0.003","12.116","0.003","10.612","0.002","90","","110.217","0.003","90","","1725","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C76 H68 N4 O16 S4 -","4","1","","Xiang-Yu Chen; Song Ye; Ruo-Chen Lin","Catalytic [2+2] and [3+2] cycloaddition reactions of allenoates with cyclic ketimines","Chem.Commun.","2012","48","","1317","","10.1039/c2cc16055b","","","0.71073","MoKα","","0.087","0.0771","","","0.1947","0.2015","","","","","","1.145","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107245","10.487","0.002","11.695","0.002","14.052","0.003","90","","106.66","0.03","90","","1651.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C76 H68 N4 O16 S4 -","4","1","","Xiang-Yu Chen; Song Ye; Ruo-Chen Lin","Catalytic [2+2] and [3+2] cycloaddition reactions of allenoates with cyclic ketimines","Chem.Commun.","2012","48","","1317","","10.1039/c2cc16055b","","","0.71073","MoKα","","0.0529","0.0504","","","0.126","0.128","","","","","","1.139","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107246","19.046","0.003","29.147","0.006","23.518","0.004","90","","100.477","0.011","90","","12838","4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H95 N74 Ni13 O17 -","- C42.5 H95 N74 Ni13 O17 -","- C170 H380 N296 Ni52 O68 -","4","2","","Gabriel Brunet; Fatemah Habib; Cyril Cook; Thushan Pathmalingam; Francis Loiseau; Ilia Korobkov; T.J.Burchell; Andre Beauchemin; Muralee Murugesu","A novel high-spin tridecanuclear NiII cluster with an azido-bridged core exhibiting disk-like topology","Chem.Commun.","2012","48","","1287","","10.1039/c2cc16221k","","","0.71073","MoKα","","0.1334","0.0763","","","0.1922","0.2366","","","","","","1.041","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107247","30.995","0.0007","30.995","0.0007","30.995","0.0007","90","","90","","90","","29776.6","1.2","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C36 H12 Cl4 Co4 N18 O6 Zn -","- C36 H12 Cl12 Co4 N18 O6 Zn -","- C288 H96 Cl96 Co32 N144 O48 Zn8 -","8","0.0416667","","Dmytro Denysenko; Tamas Werner; Maciej Grzywa; Angela Puls; Volker Hagen; Georg Eickerling; Jelena Jelic; Dirk Volkmer","Reversible gas-phase redox processes catalyzed by Co-exchanged MFU-4l(arge)","Chem.Commun.","2012","48","","1236","","10.1039/c2cc16235k","powder diffraction","","1.5418","CuKα","","0.0932","0.0706","","","0.0608","0.0807","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107248","21.7309","0.0004","21.7309","0.0004","21.7309","0.0004","90","","90","","90","","10262","0.3","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C18 H6 Cl4 Co5 N18 -","- C18 H6 Cl4 Co5 N18 -","- C144 H48 Cl32 Co40 N144 -","8","0.0416667","","Dmytro Denysenko; Tamas Werner; Maciej Grzywa; Angela Puls; Volker Hagen; Georg Eickerling; Jelena Jelic; Dirk Volkmer","Reversible gas-phase redox processes catalyzed by Co-exchanged MFU-4l(arge)","Chem.Commun.","2012","48","","1236","","10.1039/c2cc16235k","powder diffraction","","1.5418","CuKα","","0.1498","0.1592","","","0.1408","0.1474","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107249","23.513","0.0001","23.513","0.0001","23.513","0.0001","90","","90","","90","","12999.4","0.1","100","1","100","1","","","","","","","see text","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C48 H48 Cl4 Co5 N18 -","- C48 H48 Cl4 Co5 N18 -","- C384 H384 Cl32 Co40 N144 -","8","0.0416667","","Dmytro Denysenko; Tamas Werner; Maciej Grzywa; Angela Puls; Volker Hagen; Georg Eickerling; Jelena Jelic; Dirk Volkmer","Reversible gas-phase redox processes catalyzed by Co-exchanged MFU-4l(arge)","Chem.Commun.","2012","48","","1236","","10.1039/c2cc16235k","","x-ray","0.56087","AgKα","","0.0425","0.0358","","","0.0851","0.0885","","","","","","1.056","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107250","31.419","0.005","31.419","0.005","9.403","0.005","90","0.005","90","0.005","120","0.005","8039","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H34 N2 O6 -","- C36 H34 N2 O6 -","- C324 H306 N18 O54 -","9","0.5","","Yong S. Chong; William G. Burns; Brent E. Dial; Ken D. Shimizu","Covalent locking and unlocking of an atropisomeric molecular switch","Chem.Commun.","2012","48","","1296","","10.1039/c2cc16511b","","","0.71069","MoKα","","0.1249","0.0707","","","0.1779","0.1973","","","","","","1.02","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107251","11.2972","0.0008","13.2286","0.0009","14.8485","0.001","89.19","0.001","70.07","0.001","76.701","0.001","2025.2","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H46 N2 O6 -","- C50 H46 N2 O6 -","- C100 H92 N4 O12 -","2","1","","Yong S. Chong; William G. Burns; Brent E. Dial; Ken D. Shimizu","Covalent locking and unlocking of an atropisomeric molecular switch","Chem.Commun.","2012","48","","1296","","10.1039/c2cc16511b","","","0.71073","MoKα","","0.0805","0.0583","","","0.1542","0.1657","","","","","","1.018","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107252","11.2366","0.0007","13.7989","0.0008","17.9086","0.0011","90","","97.266","0.001","90","","2754.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2","","","- C27 H41 B N2 Si -","- C27 H41 B N2 Si -","- C108 H164 B4 N8 Si4 -","4","1","","SM Ibrahim Al-Rafia; Adam C. Malcolm; Robert McDonald; Michael J. Ferguson; Eric Rivard","Efficient generation of stable adducts of Si(II) dihydride","Chem.Commun.","2012","48","","1308","","10.1039/c2cc17101e","","","0.71073","MoKα","","0.0639","0.0418","","","0.1028","0.1161","","","","","","1.026","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107253","14.2434","0.0015","18.594","0.002","27.175","0.003","90","","90","","90","","7197.1","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3","","","- C35 H45 N2 O5 Si W -","- C35 H45 N2 O5 Si W -","- C280 H360 N16 O40 Si8 W8 -","8","1","","SM Ibrahim Al-Rafia; Adam C. Malcolm; Robert McDonald; Michael J. Ferguson; Eric Rivard","Efficient generation of stable adducts of Si(II) dihydride","Chem.Commun.","2012","48","","1308","","10.1039/c2cc17101e","","","0.71073","MoKα","","0.1119","0.085","","","0.2093","0.2254","","","","","","1.162","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107254","13.2122","0.0002","21.241","0.0003","13.2241","0.0002","90","","97.4269","0.0006","90","","3680.08","0.09","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4","","","- C61 H78 Cl12 N4 O4 Rh2 Si2 -","- C61 H78 Cl12 N4 O4 Rh2 Si2 -","- C122 H156 Cl24 N8 O8 Rh4 Si4 -","2","0.5","","SM Ibrahim Al-Rafia; Adam C. Malcolm; Robert McDonald; Michael J. Ferguson; Eric Rivard","Efficient generation of stable adducts of Si(II) dihydride","Chem.Commun.","2012","48","","1308","","10.1039/c2cc17101e","","","1.54178","CuKα","","0.0476","0.0452","","","0.1291","0.1316","","","","","","1.077","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107255","19.739","0.005","7.022","0.0018","21.543","0.006","90","","108.563","0.004","90","","2830.7","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cl N3 O2 -","- C12 H18 Cl N3 O2 -","- C96 H144 Cl8 N24 O16 -","8","1","","Paulina Iglesias Hernandez; Daniel Moreno; A.Araujo Javier; Toms Torroba; Ricardo Perez-Tomas; Roberto Quesada","Tambjamine alkaloids and related synthetic analogs: efficient transmembrane anion transporters","Chem.Commun.","2012","48","","1556","","10.1039/c1cc11300c","","","0.71073","MoKα","","0.0515","0.0448","","","0.1157","0.1204","","","","","","1.032","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107256","14.72","0.005","6.994","0.005","21.18","0.005","90","0.005","108.909","0.005","90","0.005","2062.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl N3 O2 -","- C20 H26 Cl N3 O2 -","- C80 H104 Cl4 N12 O8 -","4","1","","Paulina Iglesias Hernandez; Daniel Moreno; A.Araujo Javier; Toms Torroba; Ricardo Perez-Tomas; Roberto Quesada","Tambjamine alkaloids and related synthetic analogs: efficient transmembrane anion transporters","Chem.Commun.","2012","48","","1556","","10.1039/c1cc11300c","","","0.71069","MoKα","","0.0748","0.061","","","0.1769","0.1871","","","","","","1.07","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107257","14.1477","0.0001","19.1536","0.0002","69.3584","0.0008","90","","92.246","0.001","90","","18780.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(K-(18-crown-6))2(H(P7C(NDipp)2))","[K-(18-crown-6)]2{H[P7C(NDipp)2]}","","- C49 H83 K2 N2 O12 P7 -","- C49 H83 K2 N2 O12 P7 -","- C588 H996 K24 N24 O144 P84 -","12","3","","Robert S. P. Turbervill; Jose M. Goicoechea","Studies on the reactivity of group 15 Zintl ions with carbodiimides: synthesis and characterization of a heptaphosphaguanidine dianion","Chem.Commun.","2012","48","","1470","","10.1039/c1cc12089a","","","1.54178","CuKα","","0.0681","0.0647","","","0.1443","0.1459","","","","","","1.131","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7107258","17.2108","0.0017","17.2108","0.0017","17.2108","0.0017","90","","90","","90","","5098","0.9","292","2","292","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C63 H39 N3 O22 Zn4 -","- C63 H39 N3 O22 Zn4 -","- C63 H39 N3 O22 Zn4 -","1","0.0416667","","Rajesh K. Deshpande; Geoffrey I. N. Waterhouse; Geoffrey B. Jameson; Shane G. Telfer","Photolabile protecting groups in metal-organic frameworks: preventing interpenetration and masking functional groups","Chem.Commun.","2012","48","","1574","","10.1039/c1cc12884a","","","1.54178","CuKα","","0.1172","0.1138","","","0.3214","0.3304","","","","","","1.464","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107259","17.2215","0.0004","17.2215","0.0004","17.1168","0.0012","90","","90","","90","","5076.5","0.4","292","2","292","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C45 H30 O16 Zn4 -","- C45 H30 O16 Zn4 -","- C90 H60 O32 Zn8 -","2","0.25","","Rajesh K. Deshpande; Geoffrey I. N. Waterhouse; Geoffrey B. Jameson; Shane G. Telfer","Photolabile protecting groups in metal-organic frameworks: preventing interpenetration and masking functional groups","Chem.Commun.","2012","48","","1574","","10.1039/c1cc12884a","","","1.54178","CuKα","","0.0692","0.0666","","","0.2125","0.2202","","","","","","1.11","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107260","9.1577","0.0007","12.3878","0.0009","21.4749","0.0016","75.308","0.001","84.97","0.001","76.278","0.001","2288.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Uranyl(VI) Ar2nacnac (c-MeIm)2 Li MeIm","","- C44.5 H61 Li N8 O2 U -","- C44.5 H60.5 Li N8 O2 U -","- C89 H121 Li2 N16 O4 U2 -","2","1","","Michael Schettini; Guang Wu; Trevor Hayton","Synthesis and reactivity of a uranyl-imidazolyl complex","Chem.Commun.","2012","48","","1484","","10.1039/c1cc13192c","","","0.71073","MoKα","","0.0626","0.039","","","0.0828","0.1069","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107261","8.9781","0.0009","21.304","0.002","12.944","0.0013","90","","104.866","0.002","90","","2392.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Uranyl(VI) Ar2NacNac Bis(N-MeIm) Iron(II) chloride MeIm","","- C45 H67 Cl Fe N8 O3 U -","- C45 H57 Cl Fe N8 O3 U -","- C90 H114 Cl2 Fe2 N16 O6 U2 -","2","0.5","","Michael Schettini; Guang Wu; Trevor Hayton","Synthesis and reactivity of a uranyl-imidazolyl complex","Chem.Commun.","2012","48","","1484","","10.1039/c1cc13192c","","","0.71073","MoKα","","0.0502","0.0342","","","0.0829","0.0933","","","","","","0.781","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107262","8.9376","0.0004","21.3006","0.001","12.9545","0.0006","90","","104.778","0.001","90","","2384.65","0.19","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Uranyl(VI) Ar2nacnac Bis(N-MeIm) Cobalt(II) Chloride MeIm","","- C45 H67 Cl Co N8 O3 U -","- C45 H57 Cl Co N8 O3 U -","- C90 H114 Cl2 Co2 N16 O6 U2 -","2","0.5","","Michael Schettini; Guang Wu; Trevor Hayton","Synthesis and reactivity of a uranyl-imidazolyl complex","Chem.Commun.","2012","48","","1484","","10.1039/c1cc13192c","","","0.71073","MoKα","","0.0527","0.0408","","","0.0963","0.1018","","","","","","1.004","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107263","17.3607","0.0004","13.0692","0.0004","28.9589","0.0008","90","","98.01","0.001","90","","6506.4","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H61 N4 Na O Zn -","- C28 H61 N4 Na O Zn -","- C224 H488 N32 Na8 O8 Zn8 -","8","1","","David Armstrong; Liam Balloch; James Crawford; Ben Fleming; Lorna Hogg; A.R. Kennedy; Jan Klett; Stuart Robertson; Samantha Orr; Charles T. O'Hara","Single electron transfer (SET) activity of the dialkyl-amido sodium zincate [(TMEDA)*Na(m-TMP)(m-tBu)Zn(tBu)] towards TEMPO and chalcone","Chem. Commun.","2012","48","","1541","","10.1039/c1cc12869h","","","0.71073","MoKα","","0.0693","0.0382","","","0.072","0.0809","","","","","","1.008","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107264","11.9774","0.0007","15.1883","0.0013","20.8913","0.0016","102.42","0.007","105.102","0.006","91.831","0.006","3567.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H110 N6 Na2 O2 Zn2 -","- C68 H110 N6 Na2 O2 Zn2 -","- C136 H220 N12 Na4 O4 Zn4 -","2","1","","David Armstrong; Liam Balloch; James Crawford; Ben Fleming; Lorna Hogg; A.R. Kennedy; Jan Klett; Stuart Robertson; Samantha Orr; Charles T. O'Hara","Single electron transfer (SET) activity of the dialkyl-amido sodium zincate [(TMEDA)*Na(m-TMP)(m-tBu)Zn(tBu)] towards TEMPO and chalcone","Chem. Commun.","2012","48","","1541","","10.1039/c1cc12869h","","","0.71073","MoKα","","0.1577","0.0575","","","0.1195","0.1323","","","","","","0.725","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107265","6.0115","0.0006","13.5318","0.0014","19.657","0.0019","90","","91.369","0.005","90","","1598.6","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O6 -","- C18 H14 N2 O6 -","- C72 H56 N8 O24 -","4","1","","Donna L. Smith; William R. F. Goundry; Hon Wai Lam","Palladium-catalyzed hydroacyloxylation of ynamides","Chem.Commun.","2012","48","","1505","","10.1039/c1cc13595c","","","0.71073","MoKα","","0.0605","0.0373","","0.1052","0.0848","0.1052","","","","","","0.8801","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107266","10.6177","0.001","33.391","0.003","11.5326","0.0011","90","","107.582","0.002","90","","3897.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 Cl N3 Ti -","- C43 H55 Cl N3 Ti -","- C172 H220 Cl4 N12 Ti4 -","4","1","","Ba L. Tran; Marlena P. Washington; Xinfeng Gao; Maren Pink; Daniel J. Mindiola","A four coordinate parent imide via a titanium nitridyl","Chem. Commun.","2012","48","","1529","","10.1039/c1cc14574f","","","0.71073","MoKα","","0.0564","0.0439","","","0.0985","0.1045","","","","","","1.034","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107267","11.7466","0.0009","28.974","0.002","12.3682","0.0009","90","","115.276","0.002","90","","3806.5","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H56 N4 Ti -","- C43 H56 N4 Ti -","- C172 H224 N16 Ti4 -","4","1","","Ba L. Tran; Marlena P. Washington; Xinfeng Gao; Maren Pink; Daniel J. Mindiola","A four coordinate parent imide via a titanium nitridyl","Chem. Commun.","2012","48","","1529","","10.1039/c1cc14574f","","x-ray","0.41328","synchrotron","","0.1017","0.0535","","","0.132","0.1568","","","","","","1.04","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107268","23.0676","0.0007","27.8648","0.0008","15.1771","0.0005","90","","129.074","0.002","90","","7573.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C120 H177.82 Cl0.68 N10.5 O26.82 Tb6 -","- C117.52 H114 Cl0.48 N9.76 O24.9 Tb6 -","- C235.04 H228 Cl0.96 N19.52 O49.8 Tb12 -","2","0.25","","Sergio Sanz; Ruaraidh D. McIntosh; Christine M. Beavers; Simon J. Teat; Marco Evangelisti; Euan K. Brechin; Scott J. Dalgarno","Calix[4]arene-supported rare earth octahedra","Chem.Commun.","2012","48","","1449","","10.1039/c1cc14603c","","","0.7749","synchrotron","","0.0675","0.0484","","","0.1516","0.1622","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107269","10.8935","0.0006","7.7893","0.0003","12.409","0.0007","90","","111.968","0.006","90","","976.49","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 Dy2 -","- C20 H20 Cl2 Dy2 -","- C40 H40 Cl4 Dy4 -","2","0.5","","Scott A. Sulway; Richard A. Layfield; Floriana Tuna; Wolfgang Wernsdorfer; Richard E. P. Winpenny","Single-molecule magnetism in cyclopentadienyl-dysprosium chlorides","Chem. Commun.","2012","48","","1508","","10.1039/c1cc14643b","","","0.71073","MoKα","","0.0469","0.0335","","","0.0771","0.081","","","","","","0.962","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107270","6.655","0.0004","8.3541","0.0005","17.7593","0.0012","90","","90","","90","","987.36","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl Dy -","- C10 H10 Cl Dy -","- C40 H40 Cl4 Dy4 -","4","1","","Scott A. Sulway; Richard A. Layfield; Floriana Tuna; Wolfgang Wernsdorfer; Richard E. P. Winpenny","Single-molecule magnetism in cyclopentadienyl-dysprosium chlorides","Chem. Commun.","2012","48","","1508","","10.1039/c1cc14643b","","","0.71073","MoKα","","0.0405","0.0326","","","0.0457","0.0469","","","","","","0.906","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107271","7.9778","0.0007","21.27","0.003","8.39","0.0009","90","","108.5","0.011","90","","1350.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl2 Dy2 O2 -","- C28 H36 Cl2 Dy2 O2 -","- C56 H72 Cl4 Dy4 O4 -","2","0.5","","Scott A. Sulway; Richard A. Layfield; Floriana Tuna; Wolfgang Wernsdorfer; Richard E. P. Winpenny","Single-molecule magnetism in cyclopentadienyl-dysprosium chlorides","Chem. Commun.","2012","48","","1508","","10.1039/c1cc14643b","","","0.71073","MoKα","","0.0907","0.0581","","","0.1139","0.1214","","","","","","1.132","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107272","9.6681","0.0009","23.199","0.002","15.913","0.0014","90","","104.037","0.004","90","","3462.6","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 -","- C25 H22 -","- C200 H176 -","8","2","","Yvonne Kirchwehm; Alexander Damme; Thomas Kupfer; Holger Braunschweig; Anke Krueger","Ortho-methylated tribenzotriquinacenes - paving the way to curved carbon networks","Chem.Commun.","2012","48","","1502","","10.1039/c1cc14703j","","","0.71073","MoKα","","0.0653","0.0512","","","0.1145","0.1227","","","","","","1.147","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107273","12.2086","0.0009","13.1797","0.001","14.0845","0.001","70.585","0.003","76.79","0.003","87.887","0.003","2079","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C29 H30 -","- C29 H30 -","- C116 H120 -","4","2","","Yvonne Kirchwehm; Alexander Damme; Thomas Kupfer; Holger Braunschweig; Anke Krueger","Ortho-methylated tribenzotriquinacenes - paving the way to curved carbon networks","Chem.Commun.","2012","48","","1502","","10.1039/c1cc14703j","","","0.71073","MoKα","","0.0434","0.0385","","","0.103","0.1121","","","","","","1.071","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107274","9.7227","0.0009","9.7586","0.0009","23.813","0.002","98.641","0.004","95.323","0.004","106.968","0.004","2114.1","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C29 H30 -","- C29 H30 -","- C116 H120 -","4","2","","Yvonne Kirchwehm; Alexander Damme; Thomas Kupfer; Holger Braunschweig; Anke Krueger","Ortho-methylated tribenzotriquinacenes - paving the way to curved carbon networks","Chem.Commun.","2012","48","","1502","","10.1039/c1cc14703j","","","0.71073","MoKα","","0.0681","0.0655","","","0.1565","0.1578","","","","","","1.175","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107275","11.5014","0.0004","13.1875","0.0005","13.0975","0.0006","90","","102.852","0.002","90","","1936.79","0.13","103","2","103","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 -","- C28 H28 -","- C112 H112 -","4","1","","Yvonne Kirchwehm; Alexander Damme; Thomas Kupfer; Holger Braunschweig; Anke Krueger","Ortho-methylated tribenzotriquinacenes - paving the way to curved carbon networks","Chem.Commun.","2012","48","","1502","","10.1039/c1cc14703j","","","0.71073","MoKα","","0.0481","0.0447","","","0.117","0.1199","","","","","","1.095","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107276","14.2423","0.0007","11.6629","0.0006","13.1191","0.0006","90","","99.589","0.002","90","","2148.72","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido(hapto^6^-N-benzylmaleimide)(1,3,5-triaza-7-phospha- tricyclo[3.3.1.1]decane)ruthenium(II)","","- C18 H25 Cl2 N4 O3 P Ru -","- C18 H25 Cl2 N4 O3 P Ru -","- C72 H100 Cl8 N16 O12 P4 Ru4 -","4","1","","Muhammad Hanif; Alexey A. Nazarov; Anton Legin; Michael Groessl; Vladimir B. Arion; Michael A. Jakupec; Yuri O. Tsybin; Paul Dyson; Bernhard K. Keppler; Christian G. Hartinger","Maleimide-functionalized organometallic ruthenium anticancer agents for the delivery of cytotoxic moieties to the tumour tissue","Chem.Commun.","2012","48","","1475","","10.1039/c1cc14713g","","","0.71073","MoKα","","0.0417","0.031","","","0.0801","0.0866","","","","","","1.017","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107277","14.6915","0.0011","18.5748","0.0014","15.3352","0.0012","90","","113.766","0.001","90","","3830","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 Ce2 O16 -","- C24 H48 Ce2 O15 -","- C96 H192 Ce8 O60 -","4","1","","Iurii L. Malaestean; Arkady Ellern; Svetlana Baca; Paul Kogerler","Cerium oxide nanoclusters: commensurate with concepts of polyoxometalate chemistry?","Chem.Commun.","2012","48","","1499","","10.1039/c1cc14725k","","","0.71073","MoKα","","0.0688","0.0562","","","0.141","0.1499","","","","","","0.938","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107278","30.2744","0.0014","15.6022","0.0007","29.3014","0.0014","90","","118.854","0.001","90","","12122.2","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H155 Ce10 N5 Na O48 -","- C82 H155 Ce10 N5 Na O48 -","- C328 H620 Ce40 N20 Na4 O192 -","4","1","","Iurii L. Malaestean; Arkady Ellern; Svetlana Baca; Paul Kogerler","Cerium oxide nanoclusters: commensurate with concepts of polyoxometalate chemistry?","Chem.Commun.","2012","48","","1499","","10.1039/c1cc14725k","","","0.71073","MoKα","","0.0756","0.0499","","","0.1191","0.1386","","","","","","1.113","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107279","33.045","0.003","18.2348","0.0011","32.962","0.002","90","","91.474","0.002","90","","19855","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C124 H222 Ce22 O88 -","- C124 H222 Ce22 O88 -","- C496 H888 Ce88 O352 -","4","0.5","","Iurii L. Malaestean; Arkady Ellern; Svetlana Baca; Paul Kogerler","Cerium oxide nanoclusters: commensurate with concepts of polyoxometalate chemistry?","Chem.Commun.","2012","48","","1499","","10.1039/c1cc14725k","","","0.71073","MoKα","","0.1225","0.0678","","","0.1796","0.2337","","","","","","1.09","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107280","12.3492","0.0005","17.5047","0.0006","12.294","0.0005","90","","112.87","0.002","90","","2448.67","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F6 N3 O6 Pd S4 -","- C18 H17 F6 N3 O6 Pd S4 -","- C72 H68 F24 N12 O24 Pd4 S16 -","4","1","","Jia Luo; Julia Khusnutdinova; Nigam Rath; Liviu Mirica","Unsupported d<sup>8</sup>-d<sup>8</sup> interactions in cationic Pd<sup>II</sup> and Pt<sup>II</sup> complexes: Evidence for a significant metal-metal bonding character","Chem. Commun.","2012","48","","1532","","10.1039/c1cc15420f","","","0.71073","MoKα","","0.0419","0.0323","","","0.0816","0.0877","","","","","","1.026","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107281","12.3114","0.0007","17.5704","0.001","12.2608","0.0007","90","","112.402","0.003","90","","2452.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F6 N3 O6 Pt S4 -","- C18 H17 F6 N3 O6 Pt S4 -","- C72 H68 F24 N12 O24 Pt4 S16 -","4","1","","Jia Luo; Julia Khusnutdinova; Nigam Rath; Liviu Mirica","Unsupported d<sup>8</sup>-d<sup>8</sup> interactions in cationic Pd<sup>II</sup> and Pt<sup>II</sup> complexes: Evidence for a significant metal-metal bonding character","Chem. Commun.","2012","48","","1532","","10.1039/c1cc15420f","","","0.71073","MoKα","","0.0375","0.0241","","","0.0464","0.0497","","","","","","1.047","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107282","9.702","0.0006","10.3167","0.0007","10.6734","0.0007","79.15","0.002","89.371","0.003","75.1","0.003","1013.16","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H19 F3 N2 O4 Pd S3 -","- C16 H19 F3 N2 O4 Pd S3 -","- C32 H38 F6 N4 O8 Pd2 S6 -","2","1","","Jia Luo; Julia Khusnutdinova; Nigam Rath; Liviu Mirica","Unsupported d<sup>8</sup>-d<sup>8</sup> interactions in cationic Pd<sup>II</sup> and Pt<sup>II</sup> complexes: Evidence for a significant metal-metal bonding character","Chem. Commun.","2012","48","","1532","","10.1039/c1cc15420f","","","0.71073","MoKα","","0.0314","0.0241","","","0.0561","0.059","","","","","","1.02","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107283","15.784","0.003","19.25","0.004","20.841","0.004","63.51","0.03","87.1","0.03","72.53","0.03","5380","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C203 H180 Mn14 N40 O49 -","- C203 H172 Mn14 N40 O49 -","- C203 H172 Mn14 N40 O49 -","1","0.5","","Jose Sanchez Costa; Leoni A. Barrios; Gavin A. Craig; Simon J. Teat; Fernando Luis; Olivier Roubeau; Marco Evangelisti; Agustin Camon; Guillem Aromi","A molecular [Mn14] coordination cluster featuring two slowly relaxing nanomagnets","Chem.Commun.","2012","48","","1413","","10.1039/c1cc15682a","","","0.7383","synchrotron","","0.0786","0.0651","","","0.2015","0.2123","","","","","","1.07","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107284","26.67","0.0003","26.67","0.0003","38.0416","0.001","90","","90","","90","","27058.6","0.8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H12 Cu3 N6 O15 -","- C27 H12 Cu3 N6 O15 -","- C432 H192 Cu48 N96 O240 -","16","1","","Ryan Luebke; Jarrod Eubank; Amy Cairns; Youssef Belmabkhout; Lukasz Wojtas; Mohamed Eddaoudi","The unique rht-MOF platform, ideal for pinpointing the functionalization and CO2 adsorption relationship","Chem.Commun.","2012","48","","1455","","10.1039/c1cc15962c","","","1.54178","CuKα","","0.0944","0.0552","","","0.1162","0.1239","","","","","","0.998","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107285","26.3015","0.0004","26.3015","0.0004","26.3015","0.0004","90","","90","","90","","18194.6","0.5","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach","The effect of pressure on Cu-btc: framework compression vs. guest inclusion","Chem.Commun.","2012","48","","1535","","10.1039/c1cc16045a","","","0.71073","MoKα","","0.0425","0.0311","","0.0927","0.0835","0.0927","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107286","26.3867","0.0012","26.3867","0.0012","26.3867","0.0012","90","","90","","90","","18371.9","1.4","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 H4 Cu2 O10 -","- C12 H4 Cu2 O10 -","- C288 H96 Cu48 O240 -","24","0.125","","Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach","The effect of pressure on Cu-btc: framework compression vs. guest inclusion","Chem.Commun.","2012","48","","1535","","10.1039/c1cc16045a","","","0.4859","?","","0.0564","0.044","","0.0628","0.0456","0.0456","","","","","","1.0214","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107287","26.3368","0.0012","26.3368","0.0012","26.3368","0.0012","90","","90","","90","","18267.9","1.4","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 H4 Cu2 O10 -","- C12 H4 Cu2 O10 -","- C288 H96 Cu48 O240 -","24","0.125","","Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach","The effect of pressure on Cu-btc: framework compression vs. guest inclusion","Chem.Commun.","2012","48","","1535","","10.1039/c1cc16045a","","","0.4859","?","","0.0502","0.038","","0.0572","0.0411","0.0411","","","","","","0.9896","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107288","26.3081","0.0012","26.3081","0.0012","26.3081","0.0012","90","","90","","90","","18208.3","1.4","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C12 H4 Cu2 O10 -","- C12 H4 Cu2 O10 -","- C288 H96 Cu48 O240 -","24","0.125","","Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach","The effect of pressure on Cu-btc: framework compression vs. guest inclusion","Chem.Commun.","2012","48","","1535","","10.1039/c1cc16045a","","","0.4859","?","","0.0612","0.0456","","0.0685","0.0511","0.0511","","","","","","1.0076","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107289","26.2896","0.0015","26.2896","0.0015","26.2896","0.0015","90","","90","","90","","18169.9","1.8","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach","The effect of pressure on Cu-btc: framework compression vs. guest inclusion","Chem.Commun.","2012","48","","1535","","10.1039/c1cc16045a","","","0.4859","?","","0.0577","0.0422","","0.0681","0.0486","0.0486","","","","","","1.0709","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107290","26.2564","0.0015","26.2564","0.0015","26.2564","0.0015","90","","90","","90","","18101.1","1.8","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach","The effect of pressure on Cu-btc: framework compression vs. guest inclusion","Chem.Commun.","2012","48","","1535","","10.1039/c1cc16045a","","","0.4859","?","","0.0546","0.0367","","0.0645","0.0417","0.0417","","","","","","1.1033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107291","25.9467","0.0017","25.9467","0.0017","25.9467","0.0017","90","","90","","90","","17468","2","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach","The effect of pressure on Cu-btc: framework compression vs. guest inclusion","Chem.Commun.","2012","48","","1535","","10.1039/c1cc16045a","","","0.4859","?","","0.1004","0.0647","","0.1088","0.0699","0.0699","","","","","","0.9994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107292","26.1823","0.0018","26.1823","0.0018","26.1823","0.0018","90","","90","","90","","17948","2","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach","The effect of pressure on Cu-btc: framework compression vs. guest inclusion","Chem.Commun.","2012","48","","1535","","10.1039/c1cc16045a","","","0.4859","?","","0.0976","0.0558","","0.1061","0.0685","0.0685","","","","","","1.1188","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107293","26.487","0.005","13.766","0.003","13.53","0.003","90","","90","","90","","4933.3","1.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- As8 Cl Cs5 O42 V14 -","- As8 Cl Cs5 O42 V14 -","- As32 Cl4 Cs20 O168 V56 -","4","1","","Wendy L. Queen; J. Palmer West; Shiou-Jyh Hwu; Thanh Thao Tran; P. Shiv Halasyamani; Don VanDerveer","Symmetry preservation in a new noncentrosymmetric lattice comprised of acentric POM clusters residing in bowls of Cs+ -based half SOD B-cage","Chem.Commun.","2012","48","","1665","","10.1039/c1cc16264k","","","0.71073","MoKα","","0.0604","0.0524","","","0.1385","0.1493","","","","","","1.101","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107294","13.488","0.003","19.277","0.004","22.595","0.005","90","","98.85","0.03","90","","5805","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As8 Cl Cs5 O44 V14 -","- As8 Cl Cs4.99 O44 V14 -","- As32 Cl4 Cs19.96 O176 V56 -","4","0.5","","Wendy L. Queen; J. Palmer West; Shiou-Jyh Hwu; Thanh Thao Tran; P. Shiv Halasyamani; Don VanDerveer","Symmetry preservation in a new noncentrosymmetric lattice comprised of acentric POM clusters residing in bowls of Cs+ -based half SOD B-cage","Chem.Commun.","2012","48","","1665","","10.1039/c1cc16264k","","","0.71073","MoKα","","0.0897","0.0705","","","0.1962","0.2217","","","","","","1.019","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107295","13.454","0.005","19.222","0.004","22.564","0.004","90","","98.98","0.04","90","","5764","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As8 Br Cs5 O43.5 V14 -","- As8 Br Cs4.98 O43.5 V14 -","- As32 Br4 Cs19.92 O174 V56 -","4","0.5","","Wendy L. Queen; J. Palmer West; Shiou-Jyh Hwu; Thanh Thao Tran; P. Shiv Halasyamani; Don VanDerveer","Symmetry preservation in a new noncentrosymmetric lattice comprised of acentric POM clusters residing in bowls of Cs+ -based half SOD B-cage","Chem.Commun.","2012","48","","1665","","10.1039/c1cc16264k","","","0.71073","MoKα","","0.1632","0.0862","","","0.1992","0.2517","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107296","13.483","0.003","19.296","0.004","22.542","0.005","90","","98.71","0.03","90","","5797","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As8 Cs5 I O43.5 V14 -","- As8 Cs5 I O43.5 V14 -","- As32 Cs20 I4 O174 V56 -","4","0.5","","Wendy L. Queen; J. Palmer West; Shiou-Jyh Hwu; Thanh Thao Tran; P. Shiv Halasyamani; Don VanDerveer","Symmetry preservation in a new noncentrosymmetric lattice comprised of acentric POM clusters residing in bowls of Cs+ -based half SOD B-cage","Chem.Commun.","2012","48","","1665","","10.1039/c1cc16264k","","","0.71073","MoKα","","0.1845","0.136","","","0.3133","0.3582","","","","","","1.655","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107297","13.115","0.0019","13.115","0.0019","25.527","0.005","90","","90","","120","","3802.5","1.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- As2 Cl Cs5 O42.6 V14 -","- As2 Cl Cs5 O42.6 V14 -","- As6 Cl3 Cs15 O127.8 V42 -","3","0.5","","Wendy L. Queen; J. Palmer West; Shiou-Jyh Hwu; Thanh Thao Tran; P. Shiv Halasyamani; Don VanDerveer","Symmetry preservation in a new noncentrosymmetric lattice comprised of acentric POM clusters residing in bowls of Cs+ -based half SOD B-cage","Chem.Commun.","2012","48","","1665","","10.1039/c1cc16264k","","","0.71073","MoKα","","0.0773","0.0652","","","0.1699","0.1838","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107298","9.912","0.0004","10.4913","0.0005","17.3261","0.0009","86.613","0.003","88.157","0.002","82.654","0.002","1783.28","0.15","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C86 H102 N6 O2 U2 -","- C86 H102 N6 O2 U2 -","- C86 H102 N6 O2 U2 -","1","0.5","","Adil Mohammad; Dennis P. Cladis; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart","Reductive heterocoupling mediated by Cp*2 U(2,2'-bpy)","Chem.Commun.","2012","48","11","1671","1673","10.1039/c2cc16200h","","","0.71073","MO-Kα","","0.082","0.075","","","0.185","0.189","","","","","","1.235","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107299","14.754","0.002","8.5111","0.0012","17.209","0.002","90","","106.714","0.004","90","","2069.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O7 S -","- C22 H23 N O7 S -","- C88 H92 N4 O28 S4 -","4","1","","Chen Zhu; John R. Falck","Rhodium Catalyzed C-H Olefination of N-Benzoylsulfonamide with Internal Alkenes","Chem.Commun.","2012","","","1674","","10.1039/c2cc16963k","","","0.71075","MoKα","","0.0436","0.0396","","","0.0868","0.0883","","","","","","1.155","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107300","8.6912","0.0014","7.9895","0.0014","9.7878","0.0016","90","","97.672","0.003","90","","673.56","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N3 O2 -","- C14 H10 Br N3 O2 -","- C28 H20 Br2 N6 O4 -","2","1","","Lu Liu; Deyan Wu; Xiangmin Li; Sinan Wang; Hao Li; Jian Li; Wei Wang","Organocatalytic enantioselective conjugate addition of ketones to isatylidine malononitriles","Chem.Commun.","2012","48","","1692","","10.1039/c2cc17067a","","","0.71073","MoKα","","0.0463","0.0422","","","0.115","0.1173","","","","","","1.053","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107301","22.1174","0.0013","19.8568","0.0012","14.6154","0.0008","90","","115.24","0.001","90","","5806","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,4 lutidinium pamoate hydrate THF solvate","","","- C34 H34 N O7.5 -","- C34 H34 N O7.5 -","- C272 H272 N8 O60 -","8","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.0542","0.0426","","","0.1185","0.1284","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107302","21.9738","0.0014","19.9094","0.0013","14.7487","0.001","90","","114.287","0.001","90","","5881.3","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,4 lutidinium pamoate hydrate diethyl ether solvate","","","- C34 H36 N O7.5 -","- C30 H26 N O6.5 -","- C240 H208 N8 O52 -","8","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.0672","0.0481","","","0.1303","0.1409","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107303","22.12","0.015","19.805","0.014","14.745","0.01","90","","114.847","0.009","90","","5862","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,4 lutidinium pamoate hydrate acetone solvate","","","- C33 H32 N O7.5 -","- C31.5 H29 N O7 -","- C252 H232 N8 O56 -","8","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.0848","0.0554","","","0.141","0.1591","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107304","21.952","0.007","19.78","0.007","14.411","0.005","90","","114.883","0.004","90","","5677","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3,4 lutidinium pamoate hydrate dichloromethane solvate","","","- C30.87 H28.26 Cl1.74 N O6.76 -","- C30.868 H27.736 Cl1.736 N O6.764 -","- C246.944 H221.888 Cl13.888 N8 O54.112 -","8","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.1664","0.105","","","0.2758","0.3092","","","","","","1.075","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107305","22.11","0.006","19.808","0.005","14.613","0.004","90","","114.992","0.004","90","","5801","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,4 lutidinium pamoate hydrate THF solvate after immersion in supercritical CO2","","","- C32 H30 N O7 -","- C32 H30 N O7 -","- C256 H240 N8 O56 -","8","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.0834","0.0485","","","0.1096","0.1266","","","","","","1.013","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107306","7.6349","0.0005","10.4211","0.0007","19.9971","0.0013","89.282","0.001","85.528","0.001","74.559","0.001","1528.9","0.17","105","2","105","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidinium pamoate NMP solvate after immersion in supercritical CO2","","","- C36.25 H36.25 N2.25 O7.75 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.0585","0.0477","","","0.1372","0.1455","","","","","","1.079","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107307","7.6792","0.0006","10.3679","0.0008","20.3093","0.0017","88.86","0.001","83.313","0.001","74.806","0.001","1549.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidinium pamoate NMP solvate after immersion in supercritical CO2","","","- C36.25 H36.25 N2.25 O7.75 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.062","0.0506","","","0.149","0.1563","","","","","","1.09","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107308","7.6538","0.0007","10.3862","0.001","20.0151","0.0019","89.123","0.001","85.401","0.001","74.29","0.001","1526.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-picolinium pamoate NMP solvate","","","- C36 H37.5 N2.5 O8 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.0517","0.0423","","","0.1205","0.1246","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107309","7.6539","0.0011","10.4086","0.0015","19.985","0.003","89.076","0.002","85.488","0.002","74.237","0.002","1527.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-picolinium pamoate NMP solvate after immersion in supercritical CO2","","","- C34.75 H35.25 N2.25 O7.75 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Helene Wahl; Delia A. Haynes; Tanya le Roex","Porous salts based on the pamoate ion","Chem.Commun.","2012","","","1775","","10.1039/c2cc14753j","","","0.71073","MoKα","","0.0617","0.051","","","0.1498","0.1581","","","","","","1.069","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107310","10.0708","0.0011","10.4551","0.0011","13.9967","0.0015","105.885","0.005","99.037","0.005","92.659","0.005","1393.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.35 H30.05 Cl0.65 N2 O2 -","- C33.35 H30.05 Cl0.65 N2 O2 -","- C66.7 H60.1 Cl1.3 N4 O4 -","2","1","","Dejan-Kresimir Bucar; Arundhuti Sen; S. V. Santhana Mariappan; L.R.MacGillivray","A [2+2] cross-photodimerisation of photostable olefins via a three-component cocrystal solid solution","Chem.Commun.","2012","48","","1790","","10.1039/c2cc15453f","","","0.71073","MoKα","","0.1138","0.0674","","","0.1941","0.2142","","","","","","1.087","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107311","9.9438","0.0011","10.1775","0.0011","14.0261","0.0015","105.642","0.005","98.42","0.005","92.492","0.005","1347","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.34 H30.03 Cl0.66 N2 O2 -","- C33.342 H30.026 Cl0.658 N2 O2 -","- C66.684 H60.052 Cl1.316 N4 O4 -","2","1","","Dejan-Kresimir Bucar; Arundhuti Sen; S. V. Santhana Mariappan; L.R.MacGillivray","A [2+2] cross-photodimerisation of photostable olefins via a three-component cocrystal solid solution","Chem.Commun.","2012","48","","1790","","10.1039/c2cc15453f","","","0.71073","MoKα","","0.0585","0.0434","","","0.1079","0.1148","","","","","","1.067","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107312","18.3233","0.0019","9.8023","0.0011","14.3984","0.0015","90","","93.253","0.005","90","","2581.9","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.93 H26.05 Br2 Cl1.07 N2 O0.63 -","- C26.93 H26.052 Br2 Cl1.07 N2 O0.631 -","- C107.72 H104.208 Br8 Cl4.28 N8 O2.524 -","4","1","","Dejan-Kresimir Bucar; Arundhuti Sen; S. V. Santhana Mariappan; L.R.MacGillivray","A [2+2] cross-photodimerisation of photostable olefins via a three-component cocrystal solid solution","Chem.Commun.","2012","48","","1790","","10.1039/c2cc15453f","","","0.71073","MoKα","","0.0733","0.0484","","","0.1023","0.1096","","","","","","1.025","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107313","9.4815","0.001","9.6019","0.0012","14.2885","0.0018","71.745","0.005","76.746","0.006","62.801","0.005","1093","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C52 H40 Cl4 N4 -","4","2","","Dejan-Kresimir Bucar; Arundhuti Sen; S. V. Santhana Mariappan; L.R.MacGillivray","A [2+2] cross-photodimerisation of photostable olefins via a three-component cocrystal solid solution","Chem.Commun.","2012","48","","1790","","10.1039/c2cc15453f","","","0.71073","MoKα","","0.2106","0.1168","","","0.2928","0.3451","","","","","","1.061","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107314","6.0339","0.0007","7.6092","0.0009","23.135","0.003","90","","90","","90","","1062.2","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N -","- C14 H13 N -","- C56 H52 N4 -","4","1","","Dejan-Kresimir Bucar; Arundhuti Sen; S. V. Santhana Mariappan; L.R.MacGillivray","A [2+2] cross-photodimerisation of photostable olefins via a three-component cocrystal solid solution","Chem.Commun.","2012","48","","1790","","10.1039/c2cc15453f","","","0.71073","MoKα","","0.0486","0.038","","","0.0929","0.0973","","","","","","1.151","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107315","14.366","0.003","17.909","0.004","15.685","0.004","90","","98.139","0.003","90","","3994.8","1.6","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 F12 N7 O P2 Ru -","- C39 H33 F12 N7 O P2 Ru -","- C156 H132 F48 N28 O4 P8 Ru4 -","4","1","","Hideki Ohtsu; Koji Tanaka","Drastic difference in the photo-driven hydrogenation reactions of ruthenium complexes containing NAD model ligands","Chem.Commun.","2012","48","","1796","","10.1039/c2cc15886h","","","0.71075","MoKα","","0.0566","0.0511","","","0.1287","0.1339","","","","","","1.079","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107316","12.0594","0.0011","12.6422","0.001","16.2069","0.0016","79.539","0.003","89.898","0.004","69.469","0.002","2270.3","0.4","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H44 F12 N8 O P2 Ru -","- C44 H44 F12 N8 O P2 Ru -","- C88 H88 F24 N16 O2 P4 Ru2 -","2","1","","Hideki Ohtsu; Koji Tanaka","Drastic difference in the photo-driven hydrogenation reactions of ruthenium complexes containing NAD model ligands","Chem.Commun.","2012","48","","1796","","10.1039/c2cc15886h","","","0.71075","MoKα","","0.04","0.0371","","","0.0948","0.0972","","","","","","1.068","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107317","25.1377","0.0007","25.1377","0.0007","27.1775","0.0008","90","","90","","90","","17173.6","0.8","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H15 B N2 O2 -","- C15.2727 H10.9091 B0.727273 N1.45455 O1.45455 -","- C672 H480 B32 N64 O64 -","44","2.75","","Victoria J. Richards; Alexandra L. Gower; Jasper E. H. B. Smith; E. Stephen Davies; Dorothee Lahaye; Anna G. Slater; William Lewis; Alexander J. Blake; Neil R. Champness; Deborah L. Kays","Synthesis and characterisation of BODIPY radical anions","Chem.Commun.","2012","48","","1751","","10.1039/c2cc16047a","","","1.54184","CuKα","","0.114","0.0707","","","0.17","0.186","","","","","","0.95","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107318","10.2584","0.0003","29.8067","0.0009","10.6366","0.0003","90","","102.94","0.001","90","","3169.75","0.16","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H51 Al7 N8 O -","- C16 H51 Al7 N8 O -","- C64 H204 Al28 N32 O4 -","4","1","","Werner Uhl; Alexander Hepp; Marcus Layh; Babak Rezaeirad","The missing link in the coordination chemistry of hydrazines‒a hydrazinetriide [N-N(Me)]3- anion coordinated to five Al atoms","Chem.Commun.","2012","48","","1799","","10.1039/c2cc16208c","","","0.71073","MoKα","","0.0548","0.0394","","","0.1016","0.109","","","","","","1.051","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107319","8.8866","0.0018","12.252","0.003","36.576","0.007","90","","92.16","0.004","90","","3979.5","1.5","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","MRC I 018B1","","","- C31 H53 I N2 P Si4 Y -","- C31 H53 I N2 P Si4 Y -","- C124 H212 I4 N8 P4 Si16 Y4 -","4","1","","Mark R. Crimmin; Andrew J. P. White","Wittig-Olefination via an Yttrium-Coordinated Betaine","Chem.Commun.","2012","48","","1745","","10.1039/c2cc16431k","","","0.71073","MoKα","","0.1308","0.0558","","","0.1291","0.1604","","","","","","0.91","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107320","12.575","0.0004","24.999","0.0007","15.7491","0.0004","90","","91.687","0.003","90","","4948.8","0.2","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","MRC I 065A1","","","- C44 H63 I N2 O P Si4 Y -","- C44 H63 I N2 O P Si4 Y -","- C176 H252 I4 N8 O4 P4 Si16 Y4 -","4","1","","Mark R. Crimmin; Andrew J. P. White","Wittig-Olefination via an Yttrium-Coordinated Betaine","Chem.Commun.","2012","48","","1745","","10.1039/c2cc16431k","","","0.71073","MoKα","","0.0653","0.0359","","","0.0714","0.0787","","","","","","1.045","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107321","7.9672","0.0003","12.0266","0.0005","21.1513","0.0009","90","","90","","90","","2026.68","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","1","","Jieming Zhang; Zuliang Chen; Hai-Hong Wu; Junliang Zhang","Ni(ClO4)2-catalysed regio- and diastereoselective [3+2] cycloaddition of indoles and aryl oxiranyl-dicarboxylates/diketones: a facile access to furo[3,4-b]indoles","Chem.Commun.","2012","48","","1817","","10.1039/c2cc16918e","","","0.71073","MoKα","","0.034","0.0336","","","0.0928","0.0934","","","","","","1.048","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107322","17.4903","0.0004","17.9055","0.0004","14.3635","0.0004","90","","112.635","0.001","90","","4151.78","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(adamantane-1-carboxylate-3,5,7-tricarboxylic acid)(hexamethylenetetraminium) Form I","","- C20 H28 N4 O8 -","- C20 H28 N4 O8 -","- C160 H224 N32 O64 -","8","2","","Andreas Lemmerer; Joel Bernstein; Mark A. Spackman","Supramolecular polymorphism of the 1 : 1 molecular salt (adamantane-1-carboxylate-3,5,7-tricarboxylic acid)(hexamethylenetetraminium). A 'failed' crystal engineering attempt","Chem.Commun.","2012","48","","1883","","10.1039/c1cc15849j","","","0.71073","MoKα","","0.1192","0.0534","","","0.1125","0.1521","","","","","","1.013","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107323","13.943","0.0007","11.9137","0.0006","25.0356","0.0012","90","","91.074","0.004","90","","4158","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(adamantane-1-carboxylate-3,5,7-tricarboxylic acid)(hexamethylenetetraminium) Form II","","- C20 H28 N4 O8 -","- C20 H28 N4 O8 -","- C160 H224 N32 O64 -","8","2","","Andreas Lemmerer; Joel Bernstein; Mark A. Spackman","Supramolecular polymorphism of the 1 : 1 molecular salt (adamantane-1-carboxylate-3,5,7-tricarboxylic acid)(hexamethylenetetraminium). A 'failed' crystal engineering attempt","Chem.Commun.","2012","48","","1883","","10.1039/c1cc15849j","","","0.71073","MoKα","","0.1858","0.0674","","","0.1667","0.2506","","","","","","1.003","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107324","7.9834","0.0003","10.1056","0.0004","14.4674","0.0005","80.452","0.003","79.68","0.003","80.471","0.003","1121.24","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 N2 O S -","- C26 H19 N5 S -","- C52 H38 N10 S2 -","2","1","","Li-Yen Lin; Hao-Wu Lin; Yi-Hung Liu; Zheng-Yu Huang; Yu-Ting Lin; Francis Lin; Yi-Hong Chen; Ken-Tsung Wong","A donor-acceptor-acceptor molecule for vacuum-processed organic solar cells with a power conversion efficiency of 6.4%","Chem. Commun.","2012","48","","1857","","10.1039/c2cc16390j","","","1.54178","CuKα","","0.0609","0.0486","","","0.1398","0.1544","","","","","","1.101","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107325","14.8023","0.0007","7.037","0.0003","22.5089","0.001","90","","104.697","0.004","90","","2267.9","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br N2 O9 S -","- C20 H21 Br N2 O9 S -","- C80 H84 Br4 N8 O36 S4 -","4","1","","Niels Muenster; Klaus Harms; Ulrich Koert","Differentiation of diastereotopic bromine atoms in SN2 reactions of gem-dibromides","Chem.Commun.","2012","48","","1866","","10.1039/c2cc17599a","","","0.71073","MoKα","","0.0571","0.0361","","","0.0778","0.0836","","","","","","0.885","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107326","10.4715","0.0006","14.8297","0.0007","19.0746","0.0011","87.467","0.004","89.464","0.005","87.999","0.004","2957.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 Br N2 O9 S -","- C28 H31 Br N2 O9 S -","- C112 H124 Br4 N8 O36 S4 -","4","2","","Niels Muenster; Klaus Harms; Ulrich Koert","Differentiation of diastereotopic bromine atoms in SN2 reactions of gem-dibromides","Chem.Commun.","2012","48","","1866","","10.1039/c2cc17599a","","","0.71073","MoKα","","0.1059","0.0331","","","0.0524","0.0613","","","","","","0.61","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107327","11.1382","0.0009","18.3038","0.0015","19.6708","0.0016","90","","90.287","0.002","90","","4010.3","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H59 I Mo N Na O7 P2 -","- C32 H59 I Mo N Na O7 P2 -","- C128 H236 I4 Mo4 N4 Na4 O28 P8 -","4","1","","Travis Hebden; Richard Schrock; Michael Takase; Peter Mueller","Cleavage of dinitrogen to yield a (t-BuPOCOP)molybdenum(IV) nitride","Chem.Commun.","2012","48","","1851","","10.1039/c2cc17634c","","","0.71073","MoKα","","0.0612","0.0375","","","0.0789","0.0889","","","","","","1.011","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107328","14.3739","0.0007","14.3739","0.0007","25.6082","0.0013","90","","90","","90","","5290.9","0.5","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C22 H39 I Mo N O2 P2 -","- C22 H39 I Mo N O2 P2 -","- C176 H312 I8 Mo8 N8 O16 P16 -","8","1","","Travis Hebden; Richard Schrock; Michael Takase; Peter Mueller","Cleavage of dinitrogen to yield a (t-BuPOCOP)molybdenum(IV) nitride","Chem.Commun.","2012","48","","1851","","10.1039/c2cc17634c","","","0.71073","MoKα","","0.0377","0.0362","","","0.0845","0.0858","","","","","","1.051","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107329","8.0612","0.0004","7.4986","0.0003","13.891","0.0006","90","","105.997","0.005","90","","807.16","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-chloromandelic acid","S-(2-chlorophenyl)(hydroxy)acetic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Roger J. Davey; Ghazala Sadiq; Kevin Back; Laura Wilkinson; Colin C. Seaton","The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach","Chem.Commun.","2012","48","","1976","","10.1039/c1cc16173c","","","0.71073","MoKα","","0.0432","0.0336","","","0.0733","0.0762","","","","","","0.989","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107330","11.2588","0.0001","11.763","0.0002","12.8358","0.0002","90","","90","","90","","1699.94","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Nigel Simpkins; Ilias Pavlakos; Louise Male","Rapid access to polycyclic indolines related to the stephacidin alkaloids using a radical cascade","Chem.Commun.","2012","48","","1958","","10.1039/c1cc16510k","","","1.54178","CuKα","","0.0344","0.0329","","","0.0849","0.0861","","","","","","1.068","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107331","11.0651","0.0003","11.4212","0.0003","12.4657","0.0003","90","","90","","90","","1575.37","0.07","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- Cl16 Cu4 Ga4 P8 -","- Cl16 Cu4 Ga4 P8 -","- Cl32 Cu8 Ga8 P16 -","2","0.125","","Laura C. Forfar; Timothy J. Clark; Michael Green; Stephen M. Mansell; Christopher A. Russell; Rajashekharayya A. Sanguramath; John M. Slattery","White phosphorus as a ligand for the coinage metals","Chem.Commun.","2012","48","","1970","","10.1039/c2cc15291f","","","0.71073","MoKα","","0.0149","0.0142","","","0.0372","0.0376","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107332","12.0275","0.0009","7.0253","0.0005","12.6877","0.001","90","","90","","90","","1072.07","0.14","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Cl4 Ga P4 -","- Ag Cl4 Ga P4 -","- Ag4 Cl16 Ga4 P16 -","4","0.5","","Laura C. Forfar; Timothy J. Clark; Michael Green; Stephen M. Mansell; Christopher A. Russell; Rajashekharayya A. Sanguramath; John M. Slattery","White phosphorus as a ligand for the coinage metals","Chem.Commun.","2012","48","","1970","","10.1039/c2cc15291f","","","0.71073","MoKα","","0.0173","0.017","","","0.0468","0.047","","","","","","0.969","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107333","16.6593","0.0012","14.3369","0.001","6.0051","0.0004","90","","90","","90","","1434.27","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au Cl4 Ga P8 -","- Au Cl4 Ga P8 -","- Au4 Cl16 Ga4 P32 -","4","0.5","","Laura C. Forfar; Timothy J. Clark; Michael Green; Stephen M. Mansell; Christopher A. Russell; Rajashekharayya A. Sanguramath; John M. Slattery","White phosphorus as a ligand for the coinage metals","Chem.Commun.","2012","48","","1970","","10.1039/c2cc15291f","","","0.71073","MoKα","","0.0201","0.0175","","","0.0485","0.0499","","","","","","1.171","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107334","18.452","0.005","18.452","0.005","41.756","0.005","90","0.005","90","0.005","90","0.005","14217","6","293","2","293","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C32 H22 F10 Ir N8 P -","- C32 H22 F10 Ir N8 P -","- C512 H352 F160 Ir16 N128 P16 -","16","1","","Guogang Shan; Haibin Li; Hong-Tao Cao; Dong-Xia Zhu; Zhong-Min Su; Yi Liao","Reversible piezochromic behavior of two new cationic iridium(III) complexes","Chem.Commun.","2012","48","","2000","","10.1039/c2cc15855h","","","0.71069","MoKα","","0.0735","0.0471","","","0.1063","0.1179","","","","","","1.034","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107335","16.1025","0.001","15.5813","0.0008","17.0644","0.0011","90","","98.454","0.008","90","","4234.9","0.4","183","2","183","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H60 F6 N6 Ni2 O14 S2 -","- C27 H38 F6 N6 Ni2 O14 S2 -","- C108 H152 F24 N24 Ni8 O56 S8 -","4","0.5","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0821","0.0658","","","0.1939","0.2106","","","","","","1.078","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107336","11.6587","0.0009","11.9119","0.001","13.8305","0.0011","97.909","0.01","96.699","0.009","104.467","0.009","1819.2","0.3","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C23.5 H49 Cl Cu2 F6 N6 O7.5 S2 -","- C23.5 H47 Cl Cu2 F6 N6 O7.5 S2 -","- C47 H94 Cl2 Cu4 F12 N12 O15 S4 -","2","1","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0831","0.049","","","0.1312","0.1516","","","","","","0.972","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107337","15.612","0.002","15.6754","0.0018","7.938","0.0009","90","","90","","90","","1942.6","0.4","183","2","183","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H33 N3 Ni O5 -","- C15 H32 N3 Ni O5 -","- C60 H128 N12 Ni4 O20 -","4","1","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0581","0.0556","","","0.1462","0.1513","","","","","","1.103","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107338","11.898","0.005","14.067","0.005","13.146","0.005","90","0.005","90.368","0.005","90","0.005","2200.2","1.5","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H33 Cl2 Cu N3 O4 -","- C16 H33 Cl2 Cu N3 O4 -","- C64 H132 Cl8 Cu4 N12 O16 -","4","1","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0897","0.0672","","","0.1358","0.1472","","","","","","0.923","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107339","8.6228","0.0002","20.3707","0.0004","15.0841","0.0003","90","","90","","90","","2649.56","0.1","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H28 F9 N3 O9 S3 -","- C14 H28 F9 N3 O9 S3 -","- C56 H112 F36 N12 O36 S12 -","4","1","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","1.54186","CuKα","","0.0637","0.055","","","0.1376","0.1468","","","","","","1.143","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107340","14.5787","0.0011","10.7388","0.0008","15.1058","0.0012","91.857","0.009","117.268","0.008","87.518","0.009","2099.9","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H50 F12 N6 O12 S4 -","- C25 H50 F12 N6 O12 S4 -","- C50 H100 F24 N12 O24 S8 -","2","1","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0992","0.0814","","","0.248","0.2676","","","","","","1.085","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107341","16.6238","0.0005","9.1011","0.0005","9.5117","0.001","90","","90","","90","","1439.07","0.18","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H24 I N3 -","- C12 H24 I N3 -","- C48 H96 I4 N12 -","4","0.5","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0495","0.0463","","","0.1262","0.134","","","","","","1.159","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107342","5.7347","0.0003","17.0484","0.0009","10.2113","0.0006","90","","96.045","0.001","90","","992.78","0.09","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C36 H60 N4 O10 -","2","1","","Francelin Bouillere; Debby Feytens; Didier Gori; Regis Guillot; Cyrille Kouklovsky; Emeric Miclet; Valerie Alezra","Constrained a/V-peptides: a new stable extended structure in solution without any hydrogen bond and characterized by a four-fold symmetry","Chem.Commun.","2012","48","","1982","","10.1039/c2cc16852a","","x-ray","0.71073","MoKα","","0.0525","0.0414","","","0.1001","0.1053","","","","","","1.014","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107343","12.7425","0.0016","23.711","0.003","10.2862","0.0013","90","","90","","90","","3107.8","0.7","296","2","296","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C27 H32 Br Cl2 F6 O2 Ru2 Sb -","- C27 H32 Br Cl2 F6 O2 Ru2 Sb -","- C108 H128 Br4 Cl8 F24 O8 Ru8 Sb4 -","4","0.5","","Ravi Kiran Chinnagolla; Masilamani Jeganmohan","Regioselective synthesis of isocoumarins by ruthenium-catalyzed aerobic oxidative cyclization of aromatic acids with alkynes","Chem.Commun.","2012","48","","2030","","10.1039/c2cc16916a","","","0.71073","MoKα","","0.0701","0.0373","","","0.0994","0.1446","","","","","","0.571","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107344","17.3706","0.0004","16.5165","0.0004","17.8453","0.0006","90","","105.038","0.003","90","","4944.5","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H88 Li2 N4 O4 Zn2 -","- C46 H88 Li2 N4 O4 Zn2 -","- C184 H352 Li8 N16 O16 Zn8 -","4","1","","Sharon E. Baillie; Victoria L. Blair; David C. Blakemore; Duncan Hay; Alan R. Kennedy; David C. Pryde; Eva Hevia","New lithium-zincate approaches for the selective functionalisation of pyrazine: direct dideprotozincation vs. nucleophilic alkylation","Chem.Commun.","2012","48","","1985","","10.1039/c2cc16959b","","","0.71073","MoKα","","0.1261","0.0846","","","0.2052","0.239","","","","","","1.106","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107345","13.0384","0.0008","14.2144","0.0008","16.4829","0.0008","90","","90","","90","","3054.8","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H54 Li N5 Zn -","- C25 H54 Li N5 Zn -","- C100 H216 Li4 N20 Zn4 -","4","1","","Sharon E. Baillie; Victoria L. Blair; David C. Blakemore; Duncan Hay; Alan R. Kennedy; David C. Pryde; Eva Hevia","New lithium-zincate approaches for the selective functionalisation of pyrazine: direct dideprotozincation vs. nucleophilic alkylation","Chem.Commun.","2012","48","","1985","","10.1039/c2cc16959b","","","0.71073","MoKα","","0.0829","0.0447","","","0.0534","0.058","","","","","","0.787","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107346","27.469","0.002","12.6321","0.0005","16.5424","0.0011","90","","125.028","0.01","90","","4700.4","0.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H70 N8 Zn3 -","- C40 H70 N8 Zn3 -","- C160 H280 N32 Zn12 -","4","0.5","","Sharon E. Baillie; Victoria L. Blair; David C. Blakemore; Duncan Hay; Alan R. Kennedy; David C. Pryde; Eva Hevia","New lithium-zincate approaches for the selective functionalisation of pyrazine: direct dideprotozincation vs. nucleophilic alkylation","Chem.Commun.","2012","48","","1985","","10.1039/c2cc16959b","","","0.71073","MoKα","","0.0682","0.0403","","","0.074","0.084","","","","","","1.024","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107347","10.2283","0.0018","13.576","0.003","20.026","0.004","90","","91.961","0.003","90","","2779.2","1","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H88 Ni2 P2 Si2 -","- C60 H88 Ni2 P2 Si2 -","- C120 H176 Ni4 P4 Si4 -","2","0.5","","Makoto Tanabe; Ryouhei Yumoto; Kohtaro Osakada","Reaction of alkyne with dinickel-diphenylsilyl complexes. Preparation of an emissive disilane via consecutive Si-C and Si-Si bond-making reactions","Chem.Commun.","2012","48","","2125","","10.1039/c2cc16063c","","","0.7107","MoKα","","0.1376","0.0614","","","0.1333","0.2409","","","","","","0.992","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107348","23.0676","0.0007","27.8648","0.0008","15.1771","0.0005","90","","129.074","0.002","90","","7573.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C120 H177.82 Cl0.68 N10.5 O26.82 Tb6 -","- C117.52 H114 Cl0.48 N9.76 O24.9 Tb6 -","- C235.04 H228 Cl0.96 N19.52 O49.8 Tb12 -","2","0.25","","Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd","Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials","Chem.Commun.","2012","48","","2110","","10.1039/c2cc16691g","","","0.7749","synchrotron","","0.0675","0.0484","","","0.1516","0.1622","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107349","7.5177","0.0002","11.6687","0.0003","24.2254","0.0007","90","","95.782","0.002","90","","2114.28","0.1","120","2","120.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl4 Hg2 N8 O6 -","- C36 H28 Cl4 Hg2 N8 O4 -","- C72 H56 Cl8 Hg4 N16 O8 -","2","0.5","","Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd","Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials","Chem.Commun.","2012","48","","2110","","10.1039/c2cc16691g","","","0.7107","MoKα","","0.0301","0.0254","","","0.0586","0.0607","","","","","","1.019","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107350","7.4559","0.0002","11.6141","0.0002","24.2824","0.0005","90","","96.263","0.002","90","","2090.15","0.08","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.6 H28 Cl4 Hg2 N8 O4 S1.2 -","- C36.6 H28 Cl4 Hg2 N8 O4 S1.2 -","- C73.2 H56 Cl8 Hg4 N16 O8 S2.4 -","2","0.5","","Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd","Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials","Chem.Commun.","2012","48","","2110","","10.1039/c2cc16691g","","","0.7107","MoKα","","0.0381","0.0362","","","0.1078","0.1094","","","","","","1.194","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107351","7.4703","0.0002","11.6228","0.0003","24.2709","0.0006","90","","96.023","0.003","90","","2095.71","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl4 Hg2 I1.18 N8 O4 -","- C36 H28 Cl4 Hg2 I1.176 N8 O4 -","- C72 H56 Cl8 Hg4 I2.352 N16 O8 -","2","0.5","","Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd","Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials","Chem.Commun.","2012","48","","2110","","10.1039/c2cc16691g","","","0.7107","MoKα","","0.0935","0.0893","","","0.1619","0.1626","","","","","","2.443","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107352","10.353","0.001","11.0411","0.0008","16.253","0.0012","90","","93.079","0.007","90","","1855.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl2 Hg N4 O2 -","- C18 H14 Cl2 Hg N4 O2 -","- C72 H56 Cl8 Hg4 N16 O8 -","4","1","","Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd","Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials","Chem.Commun.","2012","48","","2110","","10.1039/c2cc16691g","","","0.7107","MoKα","","0.1124","0.0604","","","0.1025","0.1238","","","","","","0.944","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107353","10.2403","0.0003","11.547","0.0003","17.2774","0.0004","98.323","0.002","95.234","0.002","95.764","0.002","1999.58","0.09","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H60 Br8 Hg4 N16 O9 -","- C73 H60 Br8 Hg4 N16 O9 -","- C73 H60 Br8 Hg4 N16 O9 -","1","0.5","","Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd","Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials","Chem.Commun.","2012","48","","2110","","10.1039/c2cc16691g","","","0.7107","MoKα","","0.0344","0.0245","","","0.0499","0.0528","","","","","","1.027","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107354","7.3899","0.0005","11.5287","0.001","23.764","0.002","90","","94.81","0.006","90","","2017.5","0.3","120.1","","120.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl4 Co2 N8 O4 -","- C36 H28 Cl4 Co2 N8 O4 -","- C72 H56 Cl8 Co4 N16 O8 -","2","0.5","","Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd","Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials","Chem.Commun.","2012","48","","2110","","10.1039/c2cc16691g","","","1.5418","CuKα","","0.0617","0.0482","","","0.1154","0.127","","","","","","1.009","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107355","7.3482","0.0005","11.3708","0.0006","23.8973","0.0016","90","","94.865","0.006","90","","1989.5","0.2","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl4 N8 O4 Zn2 -","- C36 H28 Cl4 N8 O4 Zn2 -","- C72 H56 Cl8 N16 O8 Zn4 -","2","0.5","","Christopher D. Jones; Jin Chong Tan; Gareth O. Lloyd","Supramolecular isomerism of a metallocyclic dipyridyldiamide ligand metal halide system generating isostructural (Hg, Co and Zn) porous materials","Chem.Commun.","2012","48","","2110","","10.1039/c2cc16691g","","","0.7107","MoKα","","0.118","0.0947","","","0.2363","0.2467","","","","","","1.14","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107356","21.0747","0.0007","21.0747","0.0007","11.2029","0.0005","90","","90","","120","","4309.1","0.3","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C54 H49 Cd2 N10 O13.5 -","- C54 H49 Cd2 N10 O13.5 -","- C162 H147 Cd6 N30 O40.5 -","3","0.5","","Xiao-Li Sun; Wen-Chao Song; Shuang-Quan Zang; Chen-Xia Du; Hong-Wei Hou; Thomas C. W. Mak","Hierarchical assembly of a homochiral triple concentric helical system in a novel 3D supramolecular metal-organic framework: synthesis, crystal structure, and SHG properties","Chem.Commun.","2012","48","","2113","","10.1039/c2cc16779d","","","0.71073","MoKα","","0.0471","0.0366","","","0.08","0.0829","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107357","11.8407","0.0008","18.8053","0.0013","12.2337","0.0008","90","","105.67","0.001","90","","2622.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B10 Ir N S2 -","- C20 H34 B10 Ir N S2 -","- C80 H136 B40 Ir4 N4 S8 -","4","1","","Wei Zhong; Mingshi Xie; Qibai Jiang; Yizhi Li; Hong Yan","Unprecedented C-C and C-S Bond Formation via C-H Activation or Group Migration in the Reactions of Cp*IrS2C2B10H10 and Aryl Azides","Chem.Commun.","2012","48","","2152","","10.1039/c2cc16943f","","","0.71073","MoKα","","0.0335","0.0271","","","0.066","0.0681","","","","","","1.057","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107358","11.4394","0.0009","11.8736","0.0009","12.1698","0.001","68.129","0.001","63.19","0.001","87.356","0.001","1354.21","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H31 B10 Ir N2 O2 S2 -","- C19 H31 B10 Ir N2 O2 S2 -","- C38 H62 B20 Ir2 N4 O4 S4 -","2","1","","Wei Zhong; Mingshi Xie; Qibai Jiang; Yizhi Li; Hong Yan","Unprecedented C-C and C-S Bond Formation via C-H Activation or Group Migration in the Reactions of Cp*IrS2C2B10H10 and Aryl Azides","Chem.Commun.","2012","48","","2152","","10.1039/c2cc16943f","","","0.71073","MoKα","","0.0479","0.0412","","","0.0866","0.0884","","","","","","0.991","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107359","9.9643","0.0019","12.272","0.002","12.389","0.002","69.416","0.002","80.047","0.002","73.087","0.003","1352.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H31 B10 Cl Ir N S2 -","- C19 H31 B10 Cl Ir N S2 -","- C38 H62 B20 Cl2 Ir2 N2 S4 -","2","1","","Wei Zhong; Mingshi Xie; Qibai Jiang; Yizhi Li; Hong Yan","Unprecedented C-C and C-S Bond Formation via C-H Activation or Group Migration in the Reactions of Cp*IrS2C2B10H10 and Aryl Azides","Chem.Commun.","2012","48","","2152","","10.1039/c2cc16943f","","","0.71073","MoKα","","0.0652","0.0536","","","0.126","0.1289","","","","","","1.097","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107360","9.941","0.003","12.283","0.003","12.409","0.003","69.785","0.003","73.072","0.003","80.042","0.004","1355.8","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 B10 Cl2 Ir N S2 -","- C18 H28 B10 Cl2 Ir N S2 -","- C36 H56 B20 Cl4 Ir2 N2 S4 -","2","1","","Wei Zhong; Mingshi Xie; Qibai Jiang; Yizhi Li; Hong Yan","Unprecedented C-C and C-S Bond Formation via C-H Activation or Group Migration in the Reactions of Cp*IrS2C2B10H10 and Aryl Azides","Chem.Commun.","2012","48","","2152","","10.1039/c2cc16943f","","","0.71073","MoKα","","0.0463","0.0436","","","0.105","0.1061","","","","","","1.026","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107361","21.033","0.01","14.212","0.007","22.672","0.011","90","","90","","90","","6777","6","291","2","291","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H37 B10 Cl2 Ir N2 O3 S2 -","- C21 H37 B10 Cl2 Ir N2 O3 S2 -","- C168 H296 B80 Cl16 Ir8 N16 O24 S16 -","8","1","","Wei Zhong; Mingshi Xie; Qibai Jiang; Yizhi Li; Hong Yan","Unprecedented C-C and C-S Bond Formation via C-H Activation or Group Migration in the Reactions of Cp*IrS2C2B10H10 and Aryl Azides","Chem.Commun.","2012","48","","2152","","10.1039/c2cc16943f","","","0.71073","MoKα","","0.0766","0.0443","","","0.1086","0.1213","","","","","","1.051","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107362","11.1639","0.0016","14.233","0.002","17.92","0.003","90","","95.097","0.003","90","","2836.2","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B10 Ir N2 O2 S2 -","- C20 H33 B10 Ir N2 O2 S2 -","- C80 H132 B40 Ir4 N8 O8 S8 -","4","1","","Wei Zhong; Mingshi Xie; Qibai Jiang; Yizhi Li; Hong Yan","Unprecedented C-C and C-S Bond Formation via C-H Activation or Group Migration in the Reactions of Cp*IrS2C2B10H10 and Aryl Azides","Chem.Commun.","2012","48","","2152","","10.1039/c2cc16943f","","","0.71073","MoKα","","0.0642","0.0437","","","0.1102","0.1178","","","","","","1.073","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107363","21.3354","0.0003","21.3354","0.0003","11.5428","0.0003","90","","90","","120","","4550.34","0.15","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C39 H27 Dy4 N15 O21 -","- C39 H27 Dy4 N15 O21 -","- C78 H54 Dy8 N30 O42 -","2","0.333333","","Ian A. Gass; Boujemaa Moubaraki; Stuart K. Langley; Stuart R. Batten; Keith S. Murray","A p-p 3D network of tetranuclear μ2 /μ 3-carbonato Dy(III) bis-pyrazolylpyridine clusters showing single molecule magnetism features.","Chem.Commun.","2012","48","","2089","","10.1039/c2cc16946k","","","0.71073","MoKα","","0.0427","0.0348","","","0.0775","0.0808","","","","","","1.017","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107364","6.7021","0.0007","10.279","0.001","22.975","0.002","90","","90","","90","","1582.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N3 O3 -","- C16 H18 Br N3 O3 -","- C64 H72 Br4 N12 O12 -","4","1","","Maria Gonzalez Esguevillas; Javier Adrio; Juan C. Carretero","Cu-catalyzed asymmetric [3+2] cycloaddition of a-iminoamides with activated olefins","Chem.Commun.","2012","48","","2149","","10.1039/c2cc17149j","","","0.71073","MoKα","","0.0239","0.0204","","","0.0573","0.0745","","","","","","1.178","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107365","8.0573","0.0002","10.8477","0.0002","11.3405","0.0002","90","","107.716","0.002","90","","944.19","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 O5 S -","- C19 H19 N3 O5 S -","- C38 H38 N6 O10 S2 -","2","1","","Maitane Fernandez; Jose L. Vicario; Efraim Reyes; Luisa Carrillo; Dolores Badia","Organocatalytic Enantioselective Synthesis of 2,3-Dyhidropyridazines","Chem.Commun.","2012","48","","2092","","10.1039/c2cc17370k","","","1.54184","CuKα","","0.0254","0.025","","","0.0656","0.066","","","","","","1.03","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107366","17.9021","0.0011","20.6963","0.0012","13.241","0.0008","90","","90","","90","","4905.9","0.5","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Ag H24 K6 O51 P W11 -","- Ag K5 O48.5 P W11 -","- Ag4 K20 O194 P4 W44 -","4","1","","Alevtina Neyman; Yifeng Wang; Shelly Sharet; Neta Varsano; Bogdan Botar; Paul Koegerler; Louisa Meshi; Ira A. Weinstock","Polyoxometalate-directed assembly of water-soluble AgCl nanocubes","Chem.Commun.","2012","48","","2207","","10.1039/c2cc16322e","","","0.71073","MoKα","","0.0355","0.0347","","","0.0838","0.0842","","","","","","1.099","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107367","8.886","0.003","11.478","0.003","12.337","0.003","91.92","0.02","98.96","0.02","103.52","0.02","1205.3","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H68 N4 O12 Zn2 -","- C44 H61 N4 O12 Zn2 -","- C44 H61 N4 O12 Zn2 -","1","1","","Aleksandra Sarnicka; Przemyslaw Starynowicz; Jerzy Lisowski","Controlling the macrocycle size by the stoichiometry of the applied template ion","Chem.Commun.","2012","48","","2237","","10.1039/c2cc16673a","","","0.71073","MoKα","","0.0568","0.0367","","","0.0816","0.0852","","","","","","0.964","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107368","19.17","0.03","24.42","0.02","18.37","0.03","90","","113.31","0.17","90","","7898","2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H192 N12 O25 Zn3 -","- C116 H138 N12 O25 Zn3 -","- C232 H276 N24 O50 Zn6 -","2","0.5","","Aleksandra Sarnicka; Przemyslaw Starynowicz; Jerzy Lisowski","Controlling the macrocycle size by the stoichiometry of the applied template ion","Chem.Commun.","2012","48","","2237","","10.1039/c2cc16673a","","","0.71073","MoKα","","0.3311","0.1315","","","0.313","0.4127","","","","","","0.996","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107369","29.114","0.011","18.422","0.005","17.181","0.006","90","","125.19","0.05","90","","7531","6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C115.5 H172 Cl21 N12 O20 Zn3 -","- C115.5 H136 Cl21 N12 O20 Zn3 -","- C231 H272 Cl42 N24 O40 Zn6 -","2","0.5","","Aleksandra Sarnicka; Przemyslaw Starynowicz; Jerzy Lisowski","Controlling the macrocycle size by the stoichiometry of the applied template ion","Chem.Commun.","2012","48","","2237","","10.1039/c2cc16673a","","","0.71073","MoKα","","0.1344","0.1002","","","0.2545","0.2677","","","","","","1.654","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107370","15.7565","0.0005","13.8949","0.0003","19.222","0.0007","90","","110.916","0.001","90","","3931.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H59 Cl N2 O4 Zr -","- C38 H59 Cl N2 O4 Zr -","- C152 H236 Cl4 N8 O16 Zr4 -","4","1","","Charles Romain; Benoit Heinrich; Stephane Bellemin Laponnaz; Samuel Dagorne","A robust zirconium N-heterocyclic carbene complex for the living and highly stereoselective ring-opening polymerization of rac-lactide","Chem.Commun.","2012","48","","2213","","10.1039/c2cc16819g","","","0.71073","MoKα","","0.0878","0.0777","","","0.2","0.2142","","","","","","1.082","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107371","13.8349","0.0005","14.3436","0.0005","15.2208","0.0004","75.917","0.002","86.728","0.002","66.006","0.002","2673.52","0.16","271","2","271","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H71 N3 O15 -","- C51 H71 N3 O15 -","- C102 H142 N6 O30 -","2","1","","Xiangxiang Wu; Guoxing Liang; Gang Ji; Hoong-Kun Fun; Lan He; Bing Gong","Le Aromatic Oligoamide Macrocycles with Drastically Changed Behavior","Chem.Commun.","2012","48","","2228","","10.1039/c2cc16912f","","","0.71073","MoKα","","0.1661","0.0819","","","0.2362","0.3087","","","","","","1.022","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107372","31.4547","0.001","25.7172","0.0007","26.8169","0.0009","90","","120.999","0.002","90","","18594.6","1.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C85.5 H116 N6 O24 -","- C85.5 H116 N6 O24 -","- C684 H928 N48 O192 -","8","1","","Xiangxiang Wu; Guoxing Liang; Gang Ji; Hoong-Kun Fun; Lan He; Bing Gong","Le Aromatic Oligoamide Macrocycles with Drastically Changed Behavior","Chem.Commun.","2012","48","","2228","","10.1039/c2cc16912f","","","1.54178","CuKα","","0.1824","0.1536","","","0.4448","0.4703","","","","","","1.968","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107373","11.173","0.0013","22.609","0.003","25.378","0.003","90","","90","","90","","6410.7","1.4","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H53 Cl9 F6 P2 Rh Sb -","- C66 H53 Cl9 F6 P2 Rh Sb -","- C264 H212 Cl36 F24 P8 Rh4 Sb4 -","4","1","","Ilya D. Gridnev; Elisabetta Alberico; Serafino Gladiali","Captured at last: a catalyst-substrate adduct and a Rh-dihydride solvate in the asymmetric hydrogenation by a Rh-monophosphine catalyst","Chem.Commun.","2012","48","","2186","","10.1039/c2cc17335b","","","0.71075","MoKα","","","0.051","","","","0.1278","","","","","","1","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107374","7.652","0.002","8.0993","0.0019","18.213","0.005","81.281","0.011","84.362","0.011","72.965","0.017","1065","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Br N O3 S -","- C24 H24 Br N O3 S -","- C48 H48 Br2 N2 O6 S2 -","2","1","","Suyu Huang; Xiaoxun Li; Claire L. Lin; Ilia A. Guzei; Weiping Tang","Rhodium-catalyzed 1,3-acyloxy migration and subsequent intramolecular [4+2] cycloaddition of vinylallene and unactivated alkyne","Chem.Commun.","2012","48","","2204","","10.1039/c2cc17406e","","","0.71073","MoKα","","0.0336","0.0274","","","0.0625","0.0646","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107375","11.14","0.003","11.596","0.003","16.156","0.005","101.325","0.003","92.432","0.003","118.211","0.002","1781.1","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Y -","- C30 H54 Fe I N2 O2 Si2 Y -","- C60 H108 Fe2 I2 N4 O4 Si4 Y2 -","2","1","","Wenliang Huang; Paula L. Diaconescu","P4 activation by group 3 metal arene complexes","Chem.Commun.","2012","48","","2216","","10.1039/c2cc17638f","","","0.71073","MoKα","","0.0687","0.0516","","","0.1235","0.1329","","","","","","1.043","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107376","22.149","0.005","11.297","0.002","28.352","0.006","90","","94.925","0.002","90","","7068","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H108 Fe2 N4 O2 Si4 Y2 -","- C69 H108 Fe2 N4 O2 Si4 Y2 -","- C276 H432 Fe8 N16 O8 Si16 Y8 -","4","1","","Wenliang Huang; Paula L. Diaconescu","P4 activation by group 3 metal arene complexes","Chem.Commun.","2012","48","","2216","","10.1039/c2cc17638f","","","0.71073","MoKα","","0.0695","0.0473","","","0.115","0.1226","","","","","","1.083","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107377","15.3797","0.0015","15.4112","0.0015","24.293","0.002","101.293","0.001","93.402","0.001","118.66","0.001","4875.4","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H114 Fe3 N6 P7 Sc3 Si6 -","- C66 H114 Fe3 N6 P7 Sc3 Si6 -","- C132 H228 Fe6 N12 P14 Sc6 Si12 -","2","1","","Wenliang Huang; Paula L. Diaconescu","P4 activation by group 3 metal arene complexes","Chem.Commun.","2012","48","","2216","","10.1039/c2cc17638f","","","0.71073","MoKα","","0.0692","0.0577","","","0.1575","0.1659","","","","","","1.071","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107378","15.581","0.003","16.495","0.003","26.449","0.006","80.486","0.002","79.606","0.002","67.127","0.002","6126","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H158 Fe4 N8 P8 Sc4 Si8 -","- C102 H158 Fe4 N8 P8 Sc4 Si8 -","- C204 H316 Fe8 N16 P16 Sc8 Si16 -","2","1","","Wenliang Huang; Paula L. Diaconescu","P4 activation by group 3 metal arene complexes","Chem.Commun.","2012","48","","2216","","10.1039/c2cc17638f","","","0.71073","MoKα","","0.1195","0.0602","","","0.1417","0.1698","","","","","","1.005","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107379","46.711","0.011","21.615","0.005","23.922","0.006","90","","104.938","0.002","90","","23337","10","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H138 Fe3 N6 O3 P7 Si6 Y3 -","- C78 H138 Fe3 N6 O3 P7 Si6 Y3 -","- C624 H1104 Fe24 N48 O24 P56 Si48 Y24 -","8","1","","Wenliang Huang; Paula L. Diaconescu","P4 activation by group 3 metal arene complexes","Chem.Commun.","2012","48","","2216","","10.1039/c2cc17638f","","","0.71073","MoKα","","0.1365","0.085","","","0.2415","0.2697","","","","","","1.036","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107380","10.3018","0.0005","18.0268","0.0008","36.4909","0.0017","90","","90","","90","","6776.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H90 Cl4 Fe2 N4 O27 -","- C52 H90 Cl4 Fe2 N4 O27 -","- C208 H360 Cl16 Fe8 N16 O108 -","4","1","","Thierry Ollevier; Baptiste Plancq","Highly efficient Mukaiyama aldol reaction in aqueous conditions using a chiral bipyridine iron(II) catalyst","Chem.Commun.","2012","48","","2289","","10.1039/c1cc16409k","","","1.54178","CuKα","","0.0984","0.0488","","","0.0874","0.0942","","","","","","1.029","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107381","17.324","0.002","24.071","0.003","24.118","0.003","83.797","0.005","88.998","0.005","71.065","0.004","9456","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H238 N56 O73 Pd8 -","- C124 H184 N56 O73 Pd8 -","- C248 H368 N112 O146 Pd16 -","2","1","","Dipak Samanta; Sankarasekaran Shanmugaraju; Sachin A. Joshi; Yogesh P. Patil; Munirathinam Nethaji; Partha Sarathi Mukherjee","Pillar height dependent formation of unprecedented Pd8 molecular swing and Pd6 molecular boat via multicomponent self-assembly","Chem.Commun.","2012","48","","2298","","10.1039/c2cc16345d","","","0.71073","MoKα","","0.2768","0.1104","","","0.2535","0.3936","","","","","","0.99","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107382","17.8552","0.0018","21.149","0.002","21.522","0.002","69.828","0.004","82.207","0.004","82.086","0.004","7522","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H184 N44 O56 Pd6 -","- C96 H135 N44 O55 Pd6 -","- C192 H270 N88 O110 Pd12 -","2","1","","Dipak Samanta; Sankarasekaran Shanmugaraju; Sachin A. Joshi; Yogesh P. Patil; Munirathinam Nethaji; Partha Sarathi Mukherjee","Pillar height dependent formation of unprecedented Pd8 molecular swing and Pd6 molecular boat via multicomponent self-assembly","Chem.Commun.","2012","48","","2298","","10.1039/c2cc16345d","","","0.71073","MoKα","","0.1527","0.1177","","","0.316","0.3669","","","","","","1.124","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107383","31.563","0.007","12.194","0.003","19.897","0.004","90","","102.099","0.003","90","","7488","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N4 O4 S2 -","- C36 H38 N4 O4 S2 -","- C288 H304 N32 O32 S16 -","8","1","","Ying-Xiu Li; Hai-Xi Wang; Shaukat Ali; Xiao-Feng Xia; Yong-Ming Liang","Iodine-mediated regioselective C2-amination of indoles and a concise total synthesis of (+/-)-folicanthine","Chem.Commun.","2012","48","","2343","","10.1039/c2cc16637b","","","0.71073","MoKα","","0.1302","0.0653","","","0.1777","0.202","","","","","","0.976","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107384","28.442","0.008","16.06","0.005","13.506","0.004","90","","90.289","0.003","90","","6169","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N4 -","- C24 H30 N4 -","- C288 H360 N48 -","12","1.5","","Ying-Xiu Li; Hai-Xi Wang; Shaukat Ali; Xiao-Feng Xia; Yong-Ming Liang","Iodine-mediated regioselective C2-amination of indoles and a concise total synthesis of (+/-)-folicanthine","Chem.Commun.","2012","48","","2343","","10.1039/c2cc16637b","","","0.71073","MoKα","","0.1176","0.0526","","","0.1116","0.1406","","","","","","1.006","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107385","8.8232","0.0004","9.1395","0.0004","26.2954","0.0011","91.41","0.003","93.938","0.004","105.746","0.004","2034","0.16","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H37 Co F18 N O6 -","- C34 H37 Co F18 N O6 -","- C68 H74 Co2 F36 N2 O12 -","2","1","","Pengfei Zhang; Yutong Gong; Yiqi Lv; Yan Guo; Yong Wang; Congmin Wang; Haoran Li","Ionic Liquids with Metal Chelate anions","Chem.Commun.","2012","48","","2334","","10.1039/c2cc16906a","","","0.71073","MoKα","","0.0775","0.0554","","","0.1284","0.1452","","","","","","1.02","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107386","10.818","0.002","20.488","0.006","14.235","0.003","90","","92.575","0.008","90","","3151.8","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 B F2 N2 O11 -","- C32 H33 B F2 N2 O11 -","- C128 H132 B4 F8 N8 O44 -","4","1","","Yuya Bando; Shohei Sakamoto; Ippei Yamada; Yohei Haketa; Hiromitsu Maeda","Charge-based and charge-free molecular assemblies comprising p-extended derivatives of anion-responsive acyclic oligopyrroles","Chem.Commun.","2012","48","","2301","","10.1039/c2cc17282h","","","0.71075","MoKα","","0.0658","0.0457","","","0.108","0.118","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107387","10.81","0.004","11.458","0.005","12.236","0.006","101.958","0.018","107.036","0.017","99.465","0.015","1375.9","1.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 B F2 N2 O2 -","- C35 H25 B F2 N2 O2 -","- C70 H50 B2 F4 N4 O4 -","2","1","","Yuya Bando; Shohei Sakamoto; Ippei Yamada; Yohei Haketa; Hiromitsu Maeda","Charge-based and charge-free molecular assemblies comprising p-extended derivatives of anion-responsive acyclic oligopyrroles","Chem.Commun.","2012","48","","2301","","10.1039/c2cc17282h","","","0.71075","MoKα","","0.0574","0.0406","","","0.0952","0.1039","","","","","","1.055","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107388","14.7974","0.0004","20.7489","0.0005","10.5484","0.0002","90","","94.9674","0.0015","90","","3226.51","0.13","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 B F2 N2 O6 -","- C39 H33 B F2 N2 O6 -","- C156 H132 B4 F8 N8 O24 -","4","0.5","","Yuya Bando; Shohei Sakamoto; Ippei Yamada; Yohei Haketa; Hiromitsu Maeda","Charge-based and charge-free molecular assemblies comprising p-extended derivatives of anion-responsive acyclic oligopyrroles","Chem.Commun.","2012","48","","2301","","10.1039/c2cc17282h","","","1.54187","CuKα","","0.0526","0.0441","","","0.1164","0.1217","","","","","","1.092","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107389","8.03","0.005","9.349","0.005","11.595","0.005","85.3","0.019","72.98","0.02","81.74","0.02","823","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 B F2 N2 O6 -","- C15 H17 B F2 N2 O6 -","- C30 H34 B2 F4 N4 O12 -","2","1","","Yuya Bando; Shohei Sakamoto; Ippei Yamada; Yohei Haketa; Hiromitsu Maeda","Charge-based and charge-free molecular assemblies comprising p-extended derivatives of anion-responsive acyclic oligopyrroles","Chem.Commun.","2012","48","","2301","","10.1039/c2cc17282h","","","0.71075","MoKα","","0.0501","0.038","","","0.0947","0.1002","","","","","","1.072","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107390","13.066","0.003","11.863","0.003","10.534","0.002","90","","98.516","0.003","90","","1614.8","0.6","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Gen-Qiang Chen; Xiang-Ying Tang; Min Shi","HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes","Chem.Commun.","2012","48","","2340","","10.1039/c2cc17581a","","","0.71073","MoKα","","0.0605","0.0461","","","0.1104","0.1189","","","","","","1.027","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7107391","14.653","0.003","7.9432","0.0018","23.492","0.005","90","","90","","90","","2734.3","1","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Gen-Qiang Chen; Xiang-Ying Tang; Min Shi","HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes","Chem.Commun.","2012","48","","2340","","10.1039/c2cc17581a","","","0.71073","MoKα","","0.1024","0.059","","","0.1234","0.1411","","","","","","1.052","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107392","8.4862","0.0009","21.575","0.002","6.977","0.0007","90","","91.788","0.002","90","","1276.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br O -","- C17 H11 Br O -","- C68 H44 Br4 O4 -","4","1","","Gen-Qiang Chen; Xiang-Ying Tang; Min Shi","HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes","Chem.Commun.","2012","48","","2340","","10.1039/c2cc17581a","","","0.71073","MoKα","","0.0438","0.0341","","","0.0838","0.0883","","","","","","1.031","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107393","9.997","0.002","8.796","0.0019","20.266","0.005","90","","99.471","0.004","90","","1757.8","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O -","- C24 H20 O -","- C96 H80 O4 -","4","1","","Gen-Qiang Chen; Xiang-Ying Tang; Min Shi","HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes","Chem.Commun.","2012","48","","2340","","10.1039/c2cc17581a","","","0.71073","MoKα","","0.0565","0.0426","","","0.1094","0.1183","","","","","","1.029","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107394","7.6582","0.0008","9.1199","0.001","14.2106","0.0019","71.294","0.002","81.511","0.003","68.506","0.002","874.18","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 Br O -","- C23 H17 Br O -","- C46 H34 Br2 O2 -","2","1","","Gen-Qiang Chen; Xiang-Ying Tang; Min Shi","HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes","Chem.Commun.","2012","48","","2340","","10.1039/c2cc17581a","","","0.71073","MoKα","","0.0528","0.0413","","","0.1062","0.1119","","","","","","1.061","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107395","15.974","0.005","13.378","0.005","12.495","0.005","90","","90","","90","","2670.2","1.7","180","2","180","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C25 H32 F3 N3 O3 S -","- C25 H32 F3 N3 O3 S -","- C100 H128 F12 N12 O12 S4 -","4","1","","Vincent Cesar; Jean-Christophe Tourneux; Nadia Vujkovic; Remy Brousses; Noel Lugan; Guy Lavigne","Interplay between an elusive 4-(isopropylamino)imidazol-2-ylidene and its isolable mesoionic tautomer, and associated reactivities","Chem. Commun.","2012","48","","2349","","10.1039/c2cc17870b","","x-ray","0.71073","MoKα","","0.0348","0.0323","","","0.0951","0.0999","","","","","","1.026","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107396","8.585","0.0009","16.0692","0.0018","19.252","0.002","90","","90","","90","","2655.9","0.5","110","2","110","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N3 -","- C30 H37 N3 -","- C120 H148 N12 -","4","1","","Vincent Cesar; Jean-Christophe Tourneux; Nadia Vujkovic; Remy Brousses; Noel Lugan; Guy Lavigne","Interplay between an elusive 4-(isopropylamino)imidazol-2-ylidene and its isolable mesoionic tautomer, and associated reactivities","Chem. Commun.","2012","48","","2349","","10.1039/c2cc17870b","","x-ray","0.71073","MoKα","","0.0408","0.0355","","","0.0919","0.0962","","","","","","1.037","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107397","34.457","0.001","10.924","0.0003","32.264","0.0008","90","","96.349","0.001","90","","12070","0.6","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H172 Cl4 N12 O Rh4 -","- C128 H172 Cl4 N12 O Rh4 -","- C512 H688 Cl16 N48 O4 Rh16 -","4","0.5","","Vincent Cesar; Jean-Christophe Tourneux; Nadia Vujkovic; Remy Brousses; Noel Lugan; Guy Lavigne","Interplay between an elusive 4-(isopropylamino)imidazol-2-ylidene and its isolable mesoionic tautomer, and associated reactivities","Chem. Commun.","2012","48","","2349","","10.1039/c2cc17870b","","x-ray","0.71073","MoKα","","0.0471","0.0374","","","0.0799","0.0835","","","","","","1.136","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107398","8.355","0.005","12.164","0.005","15.375","0.005","87.11","0.005","86.36","0.005","88.95","0.005","1557.2","1.2","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H41 Cl N3 O Rh -","- C32 H41 Cl N3 O Rh -","- C64 H82 Cl2 N6 O2 Rh2 -","2","1","","Vincent Cesar; Jean-Christophe Tourneux; Nadia Vujkovic; Remy Brousses; Noel Lugan; Guy Lavigne","Interplay between an elusive 4-(isopropylamino)imidazol-2-ylidene and its isolable mesoionic tautomer, and associated reactivities","Chem. Commun.","2012","48","","2349","","10.1039/c2cc17870b","","x-ray","0.71073","MoKα","","0.0407","0.0361","","","0.1214","0.1297","","","","","","1.033","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107399","14.126","0.0013","9.7082","0.0008","21.2529","0.0019","90","","100.801","0.004","90","","2862.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N4 O Pt -","- C31 H34 N4 O Pt -","- C124 H136 N16 O4 Pt4 -","4","1","","Naina Deibel; David Schweinfurth; Stephan Hohloch; Jan Fiedler; Biprajit Sarkar","Donor-acceptor systems of Pt(II) and redox-induced reactivity towards small molecules","Chem.Commun.","2012","48","","2388","","10.1039/c2cc15245b","","","0.71073","MoKα","","0.0506","0.0299","","","0.0559","0.0615","","","","","","1.009","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107400","9.071","0.003","9.395","0.003","10.422","0.003","88.77","0.02","72.15","0.02","77.04","0.02","822.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Cl N2 O2 -","- C18 H19 Cl N2 O2 -","- C36 H38 Cl2 N4 O4 -","2","1","","Marc Pudlo; Ingrid Allart-Simon; Bernard Tinant; Stephane Gerard; Janos Sapi","First domino radical cyclisation/Smiles rearrangement combination","Chem.Commun.","2012","48","","2442","","10.1039/c2cc15670a","","","0.71069","MoKα","","0.0733","0.0675","","","0.1853","0.1944","","","","","","1.074","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107401","13.2097","0.0007","8.5716","0.0005","17.6477","0.0009","90","","111.551","0.001","90","","1858.52","0.17","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 O4.5 -","- C20 H25 O4.5 -","- C80 H100 O18 -","4","2","","Bor-Cherng Hong; Che-Sheng Hsu; Gene-Hsiang Lee","Enantioselective total synthesis of (+)-galbulin via organocatalytic domino Michael-Michael-aldol condensation","Chem.Commun.","2012","48","","2385","","10.1039/c2cc16682h","","","0.71073","MoKα","","0.1072","0.0627","","","0.1149","0.1334","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107402","16.0765","0.0006","16.0765","0.0006","29.839","0.002","90","","90","","90","","7712","0.7","90","2","90","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C28 H40 Cl4 Fe4 N4 O8 -","- C28 H40 Cl4 Fe4 N4 O8 -","- C224 H320 Cl32 Fe32 N32 O64 -","8","0.5","","Francesco Piga; Fabrizio Moro; Itana Krivokapic; Alexander J. Blake; Ruth Edge; Eric J. L. McInnes; Fernando Luis; Marco Evangelisti; David J. Evans; Jonathan McMaster; Joris van Slageren","Magnetic properties of a novel family of ferrous cubanes","Chem.Commun.","2012","48","","2430","","10.1039/c2cc16853g","","","0.71073","MoKα","","0.0429","0.0387","","","0.0996","0.1018","","","","","","1.108","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107403","16.8291","0.0006","16.4962","0.0006","29.6189","0.001","90","","90","","90","","8222.7","0.5","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H48 Cl4 Fe4 N4 O8 -","- C32 H48 Cl4 Fe4 N4 O8 -","- C256 H384 Cl32 Fe32 N32 O64 -","8","1","","Francesco Piga; Fabrizio Moro; Itana Krivokapic; Alexander J. Blake; Ruth Edge; Eric J. L. McInnes; Fernando Luis; Marco Evangelisti; David J. Evans; Jonathan McMaster; Joris van Slageren","Magnetic properties of a novel family of ferrous cubanes","Chem.Commun.","2012","48","","2430","","10.1039/c2cc16853g","","","0.71073","MoKα","","0.0337","0.0295","","","0.0729","0.0757","","","","","","1.034","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107404","24.884","0.011","27.141","0.012","14.484","0.006","90","","90","","90","","9782","7","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C39 H76 N6 S Si4 Zr -","- C39 H76 N6 S Si4 Zr -","- C312 H608 N48 S8 Si32 Zr8 -","8","2","","Thorsten Gehrmann; Matthias Kruck; Hubert Wadepohl; Lutz H. Gade","Stitching together SNx units in the coordination sphere of zirconium: assembly of a tris(imido)sulfite and a hydrazidobis(imido)sulfite","Chem.Commun.","2012","48","","2397","","10.1039/c2cc17594k","","x-ray","0.71073","MoKα","","0.0558","0.0398","","","0.0801","0.0874","","","","","","1.022","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107405","10.222","0.005","19.352","0.01","23.638","0.013","90","","90","","90","","4676","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H69 N7 S Si4 Zr -","- C39 H69 N7 S Si4 Zr -","- C156 H276 N28 S4 Si16 Zr4 -","4","1","","Thorsten Gehrmann; Matthias Kruck; Hubert Wadepohl; Lutz H. Gade","Stitching together SNx units in the coordination sphere of zirconium: assembly of a tris(imido)sulfite and a hydrazidobis(imido)sulfite","Chem.Commun.","2012","48","","2397","","10.1039/c2cc17594k","","x-ray","0.71073","MoKα","","0.0526","0.0374","","","0.0726","0.0788","","","","","","1.043","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107406","8.923","0.005","12.21","0.005","15.345","0.005","90","0.005","90","0.005","90","0.005","1671.8","1.3","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Xin Huang; Jin Peng; Lin Dong; Ying-Chun Chen","Asymmetric assembly of 2-oxindole and a-angelica lactone units to construct vicinal quaternary chiral centers","Chem.Commun.","2012","48","","2439","","10.1039/c2cc17777c","","","1.54184","CuKα","","0.0285","0.0283","","","0.0737","0.074","","","","","","1.051","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107407","10.3994","0.0002","12.5653","0.0002","21.0997","0.0003","90","","90","","90","","2757.13","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 I N O Si Sn -","- C25 H40 I N O Si Sn -","- C100 H160 I4 N4 O4 Si4 Sn4 -","4","1","","Christian Unkelbach; Bors C. Abele; Klaus Lehmen; Daniel Schildbach; Benedikt Waerder; Kerstin Wild; Carsten Strohmann","A diastereomerically enriched, dimeric organolithium compound and the stereochemical course of its transformations","Chem.Commun.","2012","48","","2492","2494","10.1039/c1cc15872d","","","0.71073","MoKα","","0.0253","0.0207","","","0.0417","0.0421","","","","","","1.009","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107408","20.016","0.005","11.19","0.002","9.266","0.002","90","","95.48","0.03","90","","2065.9","0.8","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H56 Li2 N2 O2 Si2 -","- C42 H56 Li2 N2 O2 Si2 -","- C84 H112 Li4 N4 O4 Si4 -","2","0.5","","Christian Unkelbach; Bors C. Abele; Klaus Lehmen; Daniel Schildbach; Benedikt Waerder; Kerstin Wild; Carsten Strohmann","A diastereomerically enriched, dimeric organolithium compound and the stereochemical course of its transformations","Chem.Commun.","2012","48","","2492","2494","10.1039/c1cc15872d","","","0.71073","MoKα","","0.0526","0.0476","","0.1293","0.1253","","","","1.058","","","","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107409","13.4546","0.0009","15.3395","0.001","19.6642","0.0013","99.2803","0.0009","96.3614","0.0009","104.045","0.0009","3837.6","0.4","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C77.5 H105 B Co2 N12 O2.5 -","- C77.5 H105 B Co2 N12 O2.5 -","- C155 H210 B2 Co4 N24 O5 -","2","1","","Gary K.-Y. Ng; Joseph W. Ziller; Andrew Borovik","Preparation and structures of dinuclear complexes containing M<sup>II</sup>-OH centers","Chem. Commun.","2012","48","","2546","","10.1039/c2cc16277f","","","0.71073","MoKα","","0.0797","0.0466","","","0.1089","0.123","","","","","","1.014","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7107410","23.8786","0.0015","20.3401","0.0012","17.4648","0.0011","90","","90","","90","","8482.5","0.9","143","2","143","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C86 H125 B Mn2 N12 O3 -","- C86 H125 B Mn2 N12 O3 -","- C344 H500 B4 Mn8 N48 O12 -","4","1","","Gary K.-Y. Ng; Joseph W. Ziller; Andrew Borovik","Preparation and structures of dinuclear complexes containing M<sup>II</sup>-OH centers","Chem. Commun.","2012","48","","2546","","10.1039/c2cc16277f","","","0.71073","MoKα","","0.097","0.0786","","","0.221","0.2426","","","","","","1.042","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107411","32.301","0.007","11.246","0.002","36.097","0.007","90","","90","","90","","13112","4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C101 H50 N2 O5 -","- C97.35 H44.0855 N2 O5 -","- C778.8 H352.684 N16 O40 -","8","1","","Liangbing Gan; Shuming Liu; Yuanhua Shao","Synthesis of a green [60]fullerene derivative through cage-opening reactions","Chem.Commun.","2012","48","","2531","","10.1039/c2cc17164c","","","0.71073","MoKα","","0.0871","0.0735","","","0.2215","0.236","","","","","","1.068","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107412","14.802","0.003","15.015","0.002","15.464","0.003","75.086","0.006","88.761","0.007","72.662","0.006","3164.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H31 Cl10.5 N2 O7.13 -","- C83.5 H31 Cl10.5 N2 O7.132 -","- C167 H62 Cl21 N4 O14.264 -","2","1","","Liangbing Gan; Shuming Liu; Yuanhua Shao","Synthesis of a green [60]fullerene derivative through cage-opening reactions","Chem.Commun.","2012","48","","2531","","10.1039/c2cc17164c","","","0.71073","MoKα","","0.1435","0.1281","","","0.3187","0.3325","","","","","","1.947","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107413","14.7838","0.0019","15.0011","0.0018","15.416","0.002","75.211","0.004","88.656","0.005","72.633","0.004","3149.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H31 Cl9 N2 O7 -","- C83 H31 Cl9 N2 O7 -","- C166 H62 Cl18 N4 O14 -","2","1","","Liangbing Gan; Shuming Liu; Yuanhua Shao","Synthesis of a green [60]fullerene derivative through cage-opening reactions","Chem.Commun.","2012","48","","2531","","10.1039/c2cc17164c","","","0.71073","MoKα","","0.0951","0.0863","","","0.2177","0.225","","","","","","1.101","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107414","27.978","0.002","27.978","0.002","14.9798","0.001","90","","90","","120","","10154.8","1.2","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C11 H14 Ag Cl N4 O5 S -","- C11 H14 Ag Cl N4 O5 S -","- C198 H252 Ag18 Cl18 N72 O90 S18 -","18","1","","Witold Bloch; Christopher Sumby","Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer","Chem.Commun.","2012","48","","2534","","10.1039/c2cc17440e","","","0.7107","MoKα","","0.1831","0.1058","","","0.3047","0.3373","","","","","","1.124","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107415","28.3911","0.0013","28.3911","0.0013","11.7766","0.0017","90","","90","","120","","8220.8","1.3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9.5 H9 Ag Cl2 N4 O4 -","- C9.5 H9 Ag Cl2 N4 O4 -","- C171 H162 Ag18 Cl36 N72 O72 -","18","1","","Witold Bloch; Christopher Sumby","Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer","Chem.Commun.","2012","48","","2534","","10.1039/c2cc17440e","","","0.7107","MoKα","","0.1381","0.0796","","","0.2647","0.295","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107416","28.3534","0.0015","28.3534","0.0015","13.9544","0.0019","90","","90","","120","","9715.2","1.5","150","2","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H14 Ag Cl N4 O5 -","- C12 H14 Ag Cl N4 O5 -","- C216 H252 Ag18 Cl18 N72 O90 -","18","1","","Witold Bloch; Christopher Sumby","Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer","Chem.Commun.","2012","48","","2534","","10.1039/c2cc17440e","","","0.7107","MoKα","","0.205","0.1306","","","0.3826","0.4174","","","","","","1.2","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107417","7.134","0.0006","18.3483","0.0017","10.5892","0.0012","90","","108.596","0.01","90","","1313.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Ag Cl N4 O5 -","- C9 H10 Ag Cl N4 O5 -","- C36 H40 Ag4 Cl4 N16 O20 -","4","1","","Witold Bloch; Christopher Sumby","Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer","Chem.Commun.","2012","48","","2534","","10.1039/c2cc17440e","","","0.7107","MoKα","","0.0649","0.04","","","0.0754","0.0888","","","","","","1.054","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107418","7.1312","0.0002","18.2962","0.0004","10.5785","0.0003","90","","108.561","0.003","90","","1308.43","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Ag Cl N4 O5 -","- C9 H10 Ag Cl N4 O5 -","- C36 H40 Ag4 Cl4 N16 O20 -","4","1","","Witold Bloch; Christopher Sumby","Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer","Chem.Commun.","2012","48","","2534","","10.1039/c2cc17440e","","","0.7107","MoKα","","0.0478","0.0348","","","0.0674","0.0736","","","","","","1.057","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107419","13.4526","0.0005","13.9702","0.0006","15.7336","0.0006","68.813","0.002","78.546","0.002","63.379","0.002","2462.38","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Er4 N12 O12 -","- C96 H84 Er4 N12 O12 -","- C96 H84 Er4 N12 O12 -","1","0.5","","Bong Ho Koo; Kwang Soo Lim; Dae Won Ryu; Woo Ram Lee; Eui Kwan Koh; Chang Seop Hong","A unique tetranuclear ErIII4 cluster exhibiting field-induced single-molecule magnetism","Chem.Commun.","2012","48","","2519","","10.1039/c2cc17467g","","","0.71073","MoKα","","0.0582","0.0455","","","0.1143","0.1196","","","","","","0.98","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107420","13.4952","0.001","14.1163","0.0009","15.6159","0.0011","69.947","0.004","79.251","0.005","63.093","0.004","2490.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Gd4 N12 O12 -","- C96 H84 Gd4 N12 O12 -","- C96 H84 Gd4 N12 O12 -","1","0.5","","Bong Ho Koo; Kwang Soo Lim; Dae Won Ryu; Woo Ram Lee; Eui Kwan Koh; Chang Seop Hong","A unique tetranuclear ErIII4 cluster exhibiting field-induced single-molecule magnetism","Chem.Commun.","2012","48","","2519","","10.1039/c2cc17467g","","","0.71073","MoKα","","0.1267","0.0827","","","0.1619","0.1789","","","","","","1.018","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107421","10.109","0.012","10.109","0.012","12.65","0.02","90","","90","","120","","1120","3","295","1","295","1","","","","","","","","5","P 31","P 31","144","","","","- C13 H23 N O S -","- C13 H23 N O S -","- C39 H69 N3 O3 S3 -","3","1","","Juan Alberto Sirvent; Francisco Foubelo; Miguel Yus","Diastereoselective indium-mediated allylation of N-tert-butanesulfinyl ketimines: easy access to asymmetric quaternary stereocenters bearing nitrogen atoms","Chem.Commun.","2012","48","","2543","","10.1039/c2cc17493f","","","0.71073","MoKα","","0.1177","0.0695","","","0.1527","0.1714","","","","","","0.849","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107422","10.2768","0.001","10.2768","0.001","12.75","0.002","90","","90","","120","","1166.2","0.2","297","1","297","1","","","","","","","","5","P 31","P 31","144","","","","- C14 H25 N O S -","- C14 H25 N O S -","- C42 H75 N3 O3 S3 -","3","1","","Juan Alberto Sirvent; Francisco Foubelo; Miguel Yus","Diastereoselective indium-mediated allylation of N-tert-butanesulfinyl ketimines: easy access to asymmetric quaternary stereocenters bearing nitrogen atoms","Chem.Commun.","2012","48","","2543","","10.1039/c2cc17493f","","","0.71073","MoKα","","0.0648","0.0467","","","0.1206","0.1328","","","","","","1.029","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107423","5.89431","0.00012","8.01643","0.00017","30.0923","0.0006","90","","90","","90","","1421.9","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Shovan Mondal; Malek Nechab; Nicolas Vanthuyne; Michele P. Bertrand","One-pot Crabb? homologation-radical cascade cyclisation with memory of chirality","Chem.Commun.","2012","48","","2549","","10.1039/c2cc17830c","","","1.5418","CuKα","","0.0324","0.0317","","0.0809","0.0803","0.0809","","","","","","0.991","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107424","24.3554","0.001","11.3368","0.0003","20.2929","0.0004","90","","90","","90","","5603.1","0.3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H67 N5 O4 -","- C66 H71.23 N5 O4 -","- C264 H284.92 N20 O16 -","4","1","","Kwan-Bok Jung; Sung Kuk Kim; Vincent M. Lynch; Dong-Gyu Cho; Jonathan L. Sessler","A calix[2]phenol[2]pyrrole and a fused pyrrolidine-containing derivative","Chem.Commun.","2012","48","","2495","","10.1039/c2cc17888e","","","0.71075","MoKα","","0.0972","0.0519","","","0.1218","0.1394","","","","","","1.036","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107425","7.3075","0.0002","17.505","0.0004","9.9498","0.0003","90","","91.307","0.001","90","","1272.43","0.06","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O2 -","- C32 H38 N2 O2 -","- C64 H76 N4 O4 -","2","0.5","","Kwan-Bok Jung; Sung Kuk Kim; Vincent M. Lynch; Dong-Gyu Cho; Jonathan L. Sessler","A calix[2]phenol[2]pyrrole and a fused pyrrolidine-containing derivative","Chem.Commun.","2012","48","","2495","","10.1039/c2cc17888e","","","0.71073","MoKα","","0.0555","0.0417","","","0.1076","0.1164","","","","","","0.986","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107426","29.8044","0.0008","10.38","0.0005","31.855","0.002","90","","95.29","0.002","90","","9813","0.8","153","2","153","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C99 H155 Cl6 F N6 O5 -","- C99 H151 Cl6 F N6 O5 -","- C396 H604 Cl24 F4 N24 O20 -","4","0.5","","Kwan-Bok Jung; Sung Kuk Kim; Vincent M. Lynch; Dong-Gyu Cho; Jonathan L. Sessler","A calix[2]phenol[2]pyrrole and a fused pyrrolidine-containing derivative","Chem.Commun.","2012","48","","2495","","10.1039/c2cc17888e","","","0.71075","MoKα","","0.1623","0.0831","","","0.2221","0.2553","","","","","","1.366","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107427","15.167","0.003","28.929","0.006","15.709","0.003","90","","111.35","0.03","90","","6420","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C104 H307 Eu12 In16 N65 O4 S48 Sb4 -","- C104 H299 Eu12 In16 N65 O4 S48 Sb4 -","- C104 H299 Eu12 In16 N65 O4 S48 Sb4 -","1","0.25","","Jian Zhou; Litao An; Xing Liu; Huahong Zou; Feilong Hu; Chaomin Liu","One unprecedented 1-D europium thioindate-thioantimonate based on heterometallic mixed nitro-thioclusters with luminescent properties","Chem.Commun.","2012","48","","2537","","10.1039/c2cc17899k","","","0.71073","MoKα","","0.1464","0.0843","","","0.1641","0.1718","","","","","","0.83","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107428","20.546","0.004","12.171","0.002","19.87","0.004","90","","105.6","0.03","90","","4785.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H70 Ge Mg N4 -","- C52 H70 Ge Mg N4 -","- C208 H280 Ge4 Mg4 N16 -","4","1","","Sam L. Choong; Christian Schenk; Andreas Stasch; Deepak Dange; Cameron Jones","Contrasting reductions of group 14 metal(II) chloride complexes: synthesis of a ?-diketiminato tin(I) dimer","Chem.Commun.","2012","48","","2504","","10.1039/c2cc18086c","","","0.71069","Synchrotron","","0.0458","0.0414","","","0.1046","0.1078","","","","","","1.027","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107429","11.6557","0.0004","12.1595","0.0004","22.2271","0.0008","74.16","0.003","76.098","0.003","86.034","0.002","2941.78","0.18","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H96 N4 Pb -","- C64 H96 N4 Pb -","- C128 H192 N8 Pb2 -","2","1","","Sam L. Choong; Christian Schenk; Andreas Stasch; Deepak Dange; Cameron Jones","Contrasting reductions of group 14 metal(II) chloride complexes: synthesis of a ?-diketiminato tin(I) dimer","Chem.Commun.","2012","48","","2504","","10.1039/c2cc18086c","","","0.71073","MoKα","","0.0533","0.0403","","","0.0788","0.0842","","","","","","1.058","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107430","16.5359","0.0004","10.6225","0.0002","19.5757","0.0005","90","","100.726","0.002","90","","3378.45","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Cl N2 Pb -","- C35 H53 Cl N2 Pb -","- C140 H212 Cl4 N8 Pb4 -","4","1","","Sam L. Choong; Christian Schenk; Andreas Stasch; Deepak Dange; Cameron Jones","Contrasting reductions of group 14 metal(II) chloride complexes: synthesis of a ?-diketiminato tin(I) dimer","Chem.Commun.","2012","48","","2504","","10.1039/c2cc18086c","","","0.71073","MoKα","","0.0339","0.0228","","","0.0443","0.0487","","","","","","1.052","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107431","14.0924","0.0005","28.9325","0.0009","27.2581","0.0013","90","","95.86","0.004","90","","11055.8","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H154 Cl4 Mg2 N8 Pb2 -","- C110 H154 Cl4 Mg2 N8 Pb2 -","- C440 H616 Cl16 Mg8 N32 Pb8 -","4","1","","Sam L. Choong; Christian Schenk; Andreas Stasch; Deepak Dange; Cameron Jones","Contrasting reductions of group 14 metal(II) chloride complexes: synthesis of a ?-diketiminato tin(I) dimer","Chem.Commun.","2012","48","","2504","","10.1039/c2cc18086c","","","0.71073","MoKα","","0.114","0.0585","","","0.0934","0.1102","","","","","","0.991","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107432","11.094","0.002","11.584","0.002","22.708","0.005","94.78","0.03","98.11","0.03","101.14","0.03","2816.2","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H89 N4 Sn2 -","- C61 H89 N4 Sn2 -","- C122 H178 N8 Sn4 -","2","1","","Sam L. Choong; Christian Schenk; Andreas Stasch; Deepak Dange; Cameron Jones","Contrasting reductions of group 14 metal(II) chloride complexes: synthesis of a ?-diketiminato tin(I) dimer","Chem.Commun.","2012","48","","2504","","10.1039/c2cc18086c","","","0.71069","Synchrotron","","0.0351","0.033","","","0.0886","0.0905","","","","","","1.07","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107433","8.8006","0.0001","28.0293","0.0004","17.9337","0.0003","90","","100.858","0.001","90","","4344.59","0.11","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 B2 Cu2 F8 N9 O -","- C43 H47 B2 Cu2 F8 N9 O -","- C172 H188 B8 Cu8 F32 N36 O4 -","4","1","","Gojko Buncic; Zhiguang Xiao; Simon C. Drew; Jonathan M. White; Anthony G. Wedd; Paul S. Donnelly","Copper complexes of a novel non-innocent quadridentate ligand","Chem.Commun.","2012","48","","2570","","10.1039/c2cc16658e","","","1.5418","CuKα","","0.0554","0.0412","","","0.1093","0.1159","","","","","","1.035","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107434","15.881","0.0003","14.7548","0.0003","17.2786","0.0003","90","","90","","90","","4048.74","0.13","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H22 B Cu F4 N4 -","- C20 H22 B Cu F4 N4 -","- C160 H176 B8 Cu8 F32 N32 -","8","1","","Gojko Buncic; Zhiguang Xiao; Simon C. Drew; Jonathan M. White; Anthony G. Wedd; Paul S. Donnelly","Copper complexes of a novel non-innocent quadridentate ligand","Chem.Commun.","2012","48","","2570","","10.1039/c2cc16658e","","","1.54184","CuKα","","0.0487","0.0453","","","0.1218","0.1243","","","","","","1.025","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107435","3.91426","0.00017","8.8696","0.0008","9.4343","0.0005","79.568","0.003","86.28","0.004","86.248","0.006","320.97","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br2 Cd N2 -","- C12 H10 Br2 Cd N2 -","- C12 H10 Br2 Cd N2 -","1","0.5","","Mangayarkarasi Nagarathinam; Anjana Chanthapally; Saul Lapidus; Peter W. Stephens; Jagadese J. Vittal","Mechanochemical Reactions of Coordination Polymers by Grinding with KBr","Chem.Commun.","2012","48","","2585","","10.1039/c2cc17358a","powder diffraction","","0.700142","synchrotron","","","","","","","","","","2.295","","","","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107436","5.4726","0.0003","7.8082","0.0005","15.6005","0.001","77.209","0.001","87.591","0.001","88.397","0.001","649.39","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br2 N2 Zn -","- C12 H10 Br2 N2 Zn -","- C24 H20 Br4 N4 Zn2 -","2","1","","Mangayarkarasi Nagarathinam; Anjana Chanthapally; Saul Lapidus; Peter W. Stephens; Jagadese J. Vittal","Mechanochemical Reactions of Coordination Polymers by Grinding with KBr","Chem.Commun.","2012","48","","2585","","10.1039/c2cc17358a","","","0.71073","MoKα","","0.0385","0.0327","","","0.0738","0.076","","","","","","1.083","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107437","12.436","0.0005","10.6121","0.0004","16.2001","0.0006","90","","99.392","0.001","90","","2109.3","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","","Lai Wei; Junliang Zhang","Efficient synthesis of isochromanones and isoquinolines via Yb(OTf)3-catalyzed tandem oxirane/aziridine ring opening/Friedel-Crafts cyclization","Chem.Commun.","2012","48","","2636","","10.1039/c2cc17836b","","","0.71073","MoKα","","0.0397","0.0355","","","0.0976","0.1035","","","","","","1.06","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107438","9.9766","0.0008","16.9632","0.0013","10.5391","0.0008","90","","101.076","0.002","90","","1750.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N2 O3 -","- C24 H14 N2 O3 -","- C96 H56 N8 O12 -","4","1","","Dnyaneshwar Kand; Arunasree Marasanapalli Kalle; Sreejith Jayasree Varma; Pinaki Talukdar","A chromenoquinoline-based fluorescent off-on thiol probe for bioimaging","Chem.Commun.","2012","48","","2722","","10.1039/c2cc16593g","","","0.71073","MoKα","","0.0569","0.0473","","","0.1291","0.137","","","","","","1.021","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107439","8.7378","0.0006","12.5147","0.0008","16.5294","0.001","90","","99.597","0.003","90","","1782.2","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B Fe O3 P -","- C16 H22 B Fe O3 P -","- C64 H88 B4 Fe4 O12 P4 -","4","1","","Holger Braunschweig; Qing Ye; Krzysztof Radacki","High Yield Synthesis of a Neutral and Carbonyl-rich Terminal Arylborylene Complex","Chem.Commun.","2012","48","","2701","","10.1039/c2cc17445f","","","0.71073","MoKα","","0.0304","0.0243","","","0.062","0.0648","","","","","","1.047","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107440","8.9521","0.0005","10.0878","0.0006","22.4284","0.0014","97.278","0.004","95.272","0.004","107.887","0.003","1893.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H118 B2 Fe2 O6 P4 Pt2 -","- C75 H118 B2 Fe2 O6 P4 Pt2 -","- C75 H118 B2 Fe2 O6 P4 Pt2 -","1","0.5","","Holger Braunschweig; Qing Ye; Krzysztof Radacki","High Yield Synthesis of a Neutral and Carbonyl-rich Terminal Arylborylene Complex","Chem.Commun.","2012","48","","2701","","10.1039/c2cc17445f","","","0.71073","MoKα","","0.0267","0.0256","","","0.0698","0.0703","","","","","","1.168","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107441","9.1705","0.0008","16.2856","0.0016","18.7869","0.0017","79.362","0.004","89.368","0.004","84.646","0.004","2745.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 B Fe O4 P -","- C29 H32 B Fe O4 P -","- C116 H128 B4 Fe4 O16 P4 -","4","2","","Holger Braunschweig; Qing Ye; Krzysztof Radacki","High Yield Synthesis of a Neutral and Carbonyl-rich Terminal Arylborylene Complex","Chem.Commun.","2012","48","","2701","","10.1039/c2cc17445f","","","0.71073","MoKα","","0.0442","0.0318","","","0.0741","0.0797","","","","","","1.029","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107442","13.7486","0.0003","10.6087","0.0002","6.923","0.0002","90","","90","","90","","1009.75","0.04","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H7 Ca N O9 P2 -","- C3 H9 Ca N O9 P2 -","- C12 H36 Ca4 N4 O36 P8 -","4","1","","Wenbin Lin; Demin Liu; Stephanie A. Kramer; Rachel C. Huxford-Phillips; Shunzhi Wang; Joseph Della Rocca","Coercing bisphosphonates to kill cancer cells with nanoscale coordination polymers","Chem.Commun.","2012","48","","2668","","10.1039/c2cc17635a","","","1.54178","CuKα","","0.0364","0.0356","","","0.0954","0.096","","","","","","1.104","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107443","13.4828","0.0009","12.6963","0.0007","6.7635","0.0005","90","","90","","90","","1157.79","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H6 Ca N2 O8 P2 -","- C5 H6 Ca N2 O8 P2 -","- C20 H24 Ca4 N8 O32 P8 -","4","1","","Wenbin Lin; Demin Liu; Stephanie A. Kramer; Rachel C. Huxford-Phillips; Shunzhi Wang; Joseph Della Rocca","Coercing bisphosphonates to kill cancer cells with nanoscale coordination polymers","Chem.Commun.","2012","48","","2668","","10.1039/c2cc17635a","","","1.54178","CuKα","","0.0776","0.0586","","","0.1434","0.1518","","","","","","1.087","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7107444","11.0155","0.0011","11.3718","0.0011","9.8061","0.001","90","","91.6242","0.0018","90","","1227.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-2-p-tolyl-2H-tetrazole","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Fushe Han; Yu Li; Lianxun Gao","Efficient synthesis of 2,5-disubstituted tetrazoles via the Cu2O-catalyzed aerobic oxidative direct cross-coupling of N-H free tetrazoles with boronic acids","Chem.Commun.","2012","48","","2719","","10.1039/c2cc17894j","","","0.71073","MoKα","","0.0774","0.0476","","","0.1191","0.137","","","","","","1.027","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107445","9.7565","0.0004","16.023","0.0005","5.58047","0.00028","90","","98.058","0.004","90","","863.77","0.06","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H14 N4 O2 -","- C6 H14 N4 O2 -","- C24 H56 N16 O8 -","4","2","","Emilie Courvoisier; P. Andrew Williams; Gin Keat Lim; Colan E. Hughes; Kenneth D. M. Harris","The Crystal Structure of L-Arginine","Chem. Commun.","2012","48","","2761","2763","10.1039/c2cc17203h","powder diffraction","x-ray","1.5406","","","","","","","","","0.08497","","1.33","","","","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107446","28.8897","0.0014","28.8897","0.0014","53.152","0.006","90","","90","","120","","38418","5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C342 H277 Cl16 Co8 N75 O66 -","- C342 H273 Cl14.04 Co8 N75 O58.16 -","- C1026 H819 Cl42.12 Co24 N225 O174.48 -","3","0.166667","","Simon Turega; Martina Whitehead; Benjamin R. Hall; Mairi F. Haddow; Christopher A. Hunter; Michael D. Ward","Selective guest recognition by a self-assembled paramagnetic cage complex","Chem. Commun.","2012","48","","2752","","10.1039/c2cc17369g","","","1.54178","CuKα","","0.1124","0.1003","","","0.2655","0.2842","","","","","","1.134","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107447","18.602","0.006","8.575","0.003","23.46","0.008","90","","91.898","0.002","90","","3740","2","153.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 N4 S -","- C46 H48 N4 S -","- C184 H192 N16 S4 -","4","1","","Takanori Suzuki; Hitomi Tamaoki; Kazuhisa Wada; Ryo Katoono; Tatsuo Nehira; Hidetoshi Kawai; Kenshu Fujiwara","Induced preference for axial chirality in a triarylmethylium o,o-dimer upon complexation with natural Y-cyclodextrin: strong ECD signaling and fixation of supramolecular chirality to molecular chirality","Chem.Commun.","2012","48","","2812","","10.1039/c2cc17475h","","","0.7107","MoKα","","","0.1363","","","","0.2658","","","","","","1.228","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107448","17.975","0.004","22.382","0.009","44.296","0.016","90","","90","","90","","17821","10","150","2","150","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C54 H117 Co Mo12 N6 O40 P -","- C53.5 H116.5 Co Mo12 N6 O40 P -","- C428 H932 Co8 Mo96 N48 O320 P8 -","8","","","Ridla Bakri; Andrew Booth; Gavin Harle; Paul S. Middleton; Corinne Wills; William Clegg; Ross W. Harrington; R. John Errington","Rational addition of capping groups to the phosphomolybdate Keggin anion [PMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> by mild, non-aqueous reductive aggregation","Chem. Commun.","2012","48","","2779","","10.1039/c2cc17670j","","","0.71073","MoKα","","0.0607","0.0409","","","0.0782","0.087","","","","","","1.089","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107449","23.8622","0.0017","14.474","0.0017","49.226","0.004","90","","95.462","0.007","90","","16925","3","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H111 Mo12 N4 O42 P V2 -","- C50 H111 Mo12 N4 O42 P V2 -","- C400 H888 Mo96 N32 O336 P8 V16 -","8","1","","Ridla Bakri; Andrew Booth; Gavin Harle; Paul S. Middleton; Corinne Wills; William Clegg; Ross W. Harrington; R. John Errington","Rational addition of capping groups to the phosphomolybdate Keggin anion [PMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> by mild, non-aqueous reductive aggregation","Chem. Commun.","2012","48","","2779","","10.1039/c2cc17670j","","","0.6393","synchrotron","","0.1175","0.0588","","","0.1209","0.1485","","","","","","0.93","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107450","26.922","0.01","14.066","0.004","11.8345","0.0011","90","","96.447","0.016","90","","4453","2","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H108 Mo12 N3 O40 P Sb2 -","- C32 H72 Mo12 N2 O40 P Sb2 -","- C64 H144 Mo24 N4 O80 P2 Sb4 -","2","0.5","","Ridla Bakri; Andrew Booth; Gavin Harle; Paul S. Middleton; Corinne Wills; William Clegg; Ross W. Harrington; R. John Errington","Rational addition of capping groups to the phosphomolybdate Keggin anion [PMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> by mild, non-aqueous reductive aggregation","Chem. Commun.","2012","48","","2779","","10.1039/c2cc17670j","","","0.71073","MoKα","","0.0585","0.0468","","","0.1042","0.1102","","","","","","1.05","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107451","13.1287","0.0016","5.9348","0.0007","15.3288","0.0019","90","","111.831","0.002","90","","1108.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br N O4 -","- C27 H20 Br N O4 -","- C54 H40 Br2 N2 O8 -","2","1","","De Wang; Yin Wei; Min Shi","Construction of adjacent spiro-quaternary and tertiary stereocenters through phosphine-catalyzed asymmetric [3+2] annulation of allenoates with alkylidene azlactones","Chem.Commun.","2012","48","","2764","","10.1039/c2cc17709a","","","0.71073","MoKα","","0.0435","0.0349","","","0.0723","0.0765","","","","","","0.873","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107452","8.4223","0.0014","6.1123","0.0011","14.743","0.003","90","","97.455","0.002","90","","752.5","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O4 -","- C14 H15 Br N2 O4 -","- C28 H30 Br2 N4 O8 -","2","1","","Michiko Sasaki; Tomo Takegawa; Hidaka Ikemoto; Masatoshi Kawahata; Kentaro Yamaguchi; Kei Takeda","Enantioselective Trapping of an a-Chiral Carbanion of Acyclic Nitrile by a Carbon Electrophile","Chem.Commun.","2012","48","","2897","","10.1039/c2cc00082b","","","0.71073","MoKα","","0.0407","0.0325","","","0.0701","0.0723","","","","","","0.972","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107453","16.499","0.007","6.349","0.003","18.273","0.008","90","","98.851","0.006","90","","1891.3","1.5","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19 Br N2 O3 -","- C20 H19 Br N2 O3 -","- C80 H76 Br4 N8 O12 -","4","1","","Michiko Sasaki; Tomo Takegawa; Hidaka Ikemoto; Masatoshi Kawahata; Kentaro Yamaguchi; Kei Takeda","Enantioselective Trapping of an a-Chiral Carbanion of Acyclic Nitrile by a Carbon Electrophile","Chem.Commun.","2012","48","","2897","","10.1039/c2cc00082b","","","0.71073","MoKα","","0.131","0.0749","","","0.1627","0.1971","","","","","","1.126","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107454","14.3366","0.0007","36.0309","0.0018","7.073","0.0003","90","","90","","90","","3653.6","0.3","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C18.25 H15 N1.5 O4.5 Zn0.5 -","- C18.25 H15 N1.5 O4.5 Zn0.5 -","- C146 H120 N12 O36 Zn4 -","8","2","","Wenbin Lin; Liang Wen; Peng Cheng","Solvent-induced single-crystal to single-crystal transformation of a 2D coordination network to a 3D metal-organic framework greatly enhances porosity and hydrogen uptake","Chem.Commun.","2012","48","","2846","","10.1039/c2cc17298d","","","1.54178","CuKα","","0.0737","0.0588","","","0.154","0.1675","","","","","","0.784","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107455","26.9842","0.0008","31.2626","0.0007","7.2309","0.0002","90","","90","","90","","6100","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C8.83 H0 O1.67 Zn0.33 -","- C8.83333 O1.66667 Zn0.333333 -","- C212 O40 Zn8 -","24","6","","Wenbin Lin; Liang Wen; Peng Cheng","Solvent-induced single-crystal to single-crystal transformation of a 2D coordination network to a 3D metal-organic framework greatly enhances porosity and hydrogen uptake","Chem.Commun.","2012","48","","2846","","10.1039/c2cc17298d","","","1.54178","CuKα","","0.1047","0.092","","","0.2399","0.2466","","","","","","1.726","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107456","21.8605","0.0009","19.4421","0.0008","25.7885","0.001","90","","96.62","0.001","90","","10887.4","0.8","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H24 B6 Fe3 O6 -","- C30 H24 B6 Fe3 O6 -","- C480 H384 B96 Fe48 O96 -","16","4","","Teng-Hao Chen; Watchareeya Kaveevivitchai; Nghia Bui; Ognjen Miljanic","Triply ferrocene-bridged boroxine cyclophane","Chem.Commun.","2012","48","","2855","","10.1039/c2cc17744g","","","0.71073","MoKα","","0.0777","0.0398","","","0.0915","0.1128","","","","","","0.955","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107457","8.422","0.0017","10.23","0.002","20.787","0.004","90","","90","","90","","1790.9","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C76 H92 N4 O8 S4 -","4","1","","Carole Palacio; Stephen J. Connon","A novel C-5' substituted cinchona alkaloid-derived catalyst promotes additions of alkyl thiols to nitroolefins with excellent enantioselectivity","Chem.Commun.","2012","48","","2849","","10.1039/c2cc17965b","","","0.71073","MoKα","","0.0855","0.0639","","","0.1936","0.2624","","","","","","1.156","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107458","7.764","0.003","9.11","0.003","14.936","0.005","80.214","0.005","89.198","0.005","67.968","0.004","963.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 N4 -","- C22 H26 N4 -","- C44 H52 N8 -","2","1","","Guanyinsheng Qiu; Gang Liu; Shouzhi Pu; Jie Wu","A palladium-catalyzed three-component reaction for the preparation of quinazolin-4(3H)-imines","Chem. Commun.","2012","48","","2903","","10.1039/c2cc18001d","","","0.71073","MoKα","","0.0876","0.0745","","","0.2232","0.2408","","","","","","1.071","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107459","13.3784","0.0019","20.944","0.003","21.091","0.003","102.21","0.002","90.345","0.002","92.153","0.003","5771.3","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H76.5 N2 O10 -","- C61 H76.5 N2 O10 -","- C244 H306 N8 O40 -","4","2","","Xiaoyan Shu; Songhui Chen; Jian Li; Zhenxia Chen; Linhong Weng; Xueshun Jia; Chunju Li","Highly effective binding of neutral dinitriles by simple pillar[5]arenes","Chem.Commun.","2012","48","","2967","","10.1039/c2cc00153e","","","0.71073","MoKα","","0.2483","0.1671","","","0.4015","0.4505","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107460","38.436","0.005","19.024","0.002","26.273","0.003","90","","127.986","0.003","90","","15141","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H46 Cl10 Dy N12 O5 -","- C79 H46 Cl10 Dy N12 O5 -","- C632 H368 Cl80 Dy8 N96 O40 -","8","1","","Hailong Wang; Kang Wang; Jun Tao; Jianzhuang Jiang","Twist angle perturbation on mixed (phthalocyaninato)(porphyrinato) dysprosium(III) double-decker SMMs","Chem.Commun.","2012","48","","2973","","10.1039/c2cc16543k","","","0.71073","MoKα","","0.0634","0.0487","","","0.1398","0.1506","","","","","","1.092","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107461","14.068","0.0005","17.6605","0.0007","18.6659","0.0007","112.931","0.004","96.166","0.003","97.426","0.003","4171.5","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H81 Cl7 Dy N12 O4 -","- C97 H81 Cl7 Dy N12 O4 -","- C194 H162 Cl14 Dy2 N24 O8 -","2","1","","Hailong Wang; Kang Wang; Jun Tao; Jianzhuang Jiang","Twist angle perturbation on mixed (phthalocyaninato)(porphyrinato) dysprosium(III) double-decker SMMs","Chem.Commun.","2012","48","","2973","","10.1039/c2cc16543k","","","0.71073","MoKα","","0.0969","0.0668","","","0.1387","0.1527","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107462","14.0969","0.0004","17.6251","0.0005","18.9482","0.0005","111.959","0.002","97.403","0.002","97.046","0.002","4254.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H81 Cl7 Dy N12 O4 -","- C97 H81.003 Cl7 Dy N12 O4 -","- C194 H162.006 Cl14 Dy2 N24 O8 -","2","1","","Hailong Wang; Kang Wang; Jun Tao; Jianzhuang Jiang","Twist angle perturbation on mixed (phthalocyaninato)(porphyrinato) dysprosium(III) double-decker SMMs","Chem.Commun.","2012","48","","2973","","10.1039/c2cc16543k","","","0.71073","MoKα","","0.0672","0.051","","","0.1167","0.1238","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107463","15.679","0.004","27.788","0.007","17.24","0.005","90","","105.515","0.004","90","","7238","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H76.5 Cl6.5 Cu N6 O8 -","- C66.25 H76.5 Cl6.5 Cu N6 O8 -","- C265 H306 Cl26 Cu4 N24 O32 -","4","1","","Jian-Ping Ma; Yang Yu; Yu-Bin Dong","Fluorene-based Cu(II)-MOF: a visual colorimetric anion sensor and separator based on an anion-exchange approach","Chem.Commun.","2012","48","","2946","","10.1039/c2cc16800f","","","0.71073","MoKα","","0.135","0.0995","","","0.2849","0.3091","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107464","18.701","0.002","18.701","0.002","49.754","0.005","90","","90","","120","","15069","3","291","2","291","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C32 H22 Cu3 N2 O17 -","- C32 H22 Cu3 N2 O17 -","- C192 H132 Cu18 N12 O102 -","6","0.25","","Jingui Duan; Zhen Yang; Junfeng Bai; Baishu Zheng; Yizhi Li; Shuhua Li","Highly selective CO2 capture of an agw-type metal-organic framework with inserted amides: experimental and theoretical studies","Chem.Commun.","2012","48","","3058","","10.1039/c2cc16231h","","","0.71073","MoKα","","0.0741","0.0501","","","0.0894","0.0936","","","","","","1.086","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107465","20.1847","0.0014","20.4366","0.0013","20.6242","0.0014","90","","90","","90","","8507.6","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C80 H120 N8 Nb2 -","- C80 H120 N8 Nb2 -","- C320 H480 N32 Nb8 -","4","0.5","","Alexander R. Fox; Christopher C. Cummins","A highly reduced cyanogen ligand derived from cyanide reductive coupling","Chem.Commun.","2012","48","","3061","","10.1039/c2cc17212g","","","0.71073","MoKα","","0.0672","0.0459","","","0.1013","0.1091","","","","","","1.089","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107466","12.5406","0.0002","14.3352","0.0003","19.3242","0.0005","90","","102.983","0.001","90","","3385.14","0.13","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H82 N24 Na4 O44 S2 -","- C36 H76 N24 Na4 O41 S2 -","- C72 H152 N48 Na8 O82 S4 -","2","0.5","","Nan Zhao; Gareth O. Lloyd; Oren A. Scherman","Monofunctionalised cucurbit[6]uril synthesis using imidazolium host-guest complexation","Chem.Commun.","2012","48","","3070","","10.1039/c2cc17433b","","","0.71073","MoKα","","0.1128","0.0908","","","0.2671","0.2815","","","","","","1.045","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107467","16.207","0.004","18.232","0.004","19.617","0.005","99.111","0.004","103.442","0.005","105.631","0.004","5276","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H122 Cl4 N18 O11 -","- C76 H102 Cl4 N18 O11 -","- C152 H204 Cl8 N36 O22 -","2","1","","Shaoguang Li; Wei Meiying; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Ion-pair induced self-assembly of molecular barrels with encapsulated tetraalkylammonium cations based on a bis-trisurea stave","Chem.Commun.","2012","48","","3097","","10.1039/c2cc17699h","","","0.71073","MoKα","","0.1411","0.078","","","0.2044","0.2272","","","","","","0.999","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107468","32.425","0.008","19.215","0.005","28.184","0.007","90","","98.692","0.004","90","","17358","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H124 Cl3 N17 O10 -","- C80.03 H40 Cl3 N17 O10 -","- C640.24 H320 Cl24 N136 O80 -","8","1","","Shaoguang Li; Wei Meiying; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Ion-pair induced self-assembly of molecular barrels with encapsulated tetraalkylammonium cations based on a bis-trisurea stave","Chem.Commun.","2012","48","","3097","","10.1039/c2cc17699h","","","0.71073","MoKα","","0.2492","0.1456","","","0.3504","0.3879","","","","","","1.794","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107469","12.995","0.002","18.961","0.003","21.692","0.004","101.726","0.003","106.372","0.003","102.616","0.003","4800","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H124 Cl8 N16 O11 -","- C82 H124 Cl8 N16 O11 -","- C164 H248 Cl16 N32 O22 -","2","1","","Shaoguang Li; Wei Meiying; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Ion-pair induced self-assembly of molecular barrels with encapsulated tetraalkylammonium cations based on a bis-trisurea stave","Chem.Commun.","2012","48","","3097","","10.1039/c2cc17699h","","","0.71073","MoKα","","0.1886","0.1027","","","0.2543","0.3036","","","","","","1.221","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107470","11.952","0.003","28.436","0.008","12.614","0.004","90","","92.341","0.004","90","","4284","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H120 Br4 N18 O10 -","- C76 H120 Br4 N18 O10 -","- C152 H240 Br8 N36 O20 -","2","0.5","","Shaoguang Li; Wei Meiying; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Ion-pair induced self-assembly of molecular barrels with encapsulated tetraalkylammonium cations based on a bis-trisurea stave","Chem.Commun.","2012","48","","3097","","10.1039/c2cc17699h","","","0.71073","MoKα","","0.0674","0.0428","","","0.1007","0.1126","","","","","","1.037","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107471","32.939","0.003","19.383","0.002","28.226","0.003","90","","97.879","0.002","90","","17851","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H124 Br3 N17 O10 -","- C80.06 H35 Br3 N17 O10 -","- C640.48 H280 Br24 N136 O80 -","8","1","","Shaoguang Li; Wei Meiying; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Ion-pair induced self-assembly of molecular barrels with encapsulated tetraalkylammonium cations based on a bis-trisurea stave","Chem.Commun.","2012","48","","3097","","10.1039/c2cc17699h","","","0.71073","MoKα","","0.1238","0.0795","","","0.223","0.2626","","","","","","1.038","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107472","12.2557","0.0018","37.945","0.006","13.0316","0.0019","90","","96.945","0.002","90","","6015.8","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H186 Br4 N18 O11 -","- C108 H40 Br4 N18 O10.84 -","- C216 H80 Br8 N36 O21.68 -","2","0.5","","Shaoguang Li; Wei Meiying; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Ion-pair induced self-assembly of molecular barrels with encapsulated tetraalkylammonium cations based on a bis-trisurea stave","Chem.Commun.","2012","48","","3097","","10.1039/c2cc17699h","","","0.71073","MoKα","","0.1721","0.1089","","","0.273","0.2947","","","","","","1.688","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107473","11.1029","0.0011","12.9419","0.0013","12.5303","0.0012","90","","94.973","0.002","90","","1793.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F2 N2 O -","- C23 H16 F2 N2 O -","- C92 H64 F8 N8 O4 -","4","1","","Yajun Li; Jiangtao Zhu; Haibo Xie; Shan Li; Dongjie Peng; Zhengke Li; Yongming Wu; Yuefa Gong","Rh-catalyzed intramolecular sp2 C-H bond difluoromethylenation","Chem.Commun.","2012","48","","3136","","10.1039/c2cc30207a","","","0.71073","MoKα","","0.073","0.0636","","","0.1545","0.1625","","","","","","1.088","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107474","17.7839","0.0013","8.5189","0.0003","11.8682","0.0008","90","","124.449","0.01","90","","1482.7","0.2","298.3","","298.3","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","o-LH2","","","- C8 H9 O2 -","- C8 H9 O2 -","- C64 H72 O16 -","8","1","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lidia Armelao","A templating guest sorts out a molecular triangle from a dimer-trimer constitutional dynamic library","Chem.Commun.","2012","48","","3115","","10.1039/c2cc30288h","","","1.5418","CuKα","","0.0582","0.055","","","0.1716","0.1775","","","","","","1.098","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107475","34.2239","0.001","23.4053","0.0006","15.0341","0.0004","90","","105.32","0.003","90","","11614.7","0.6","300.5","","300.5","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 Cu3 N4 O15 -","- C54 H66 Cu3 N4 O15 -","- C432 H528 Cu24 N32 O120 -","8","1","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lidia Armelao","A templating guest sorts out a molecular triangle from a dimer-trimer constitutional dynamic library","Chem.Commun.","2012","48","","3115","","10.1039/c2cc30288h","","","0.7107","MoKα","","0.0558","0.0391","","","0.0965","0.1026","","","","","","1.025","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107476","17.583","0.003","17.583","0.003","48.345","0.01","90","","90","","120","","12944","4","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H72 I2 N6 S6 -","- C66 H72 I2 N6 S6 -","- C396 H432 I12 N36 S36 -","6","0.166667","","Pin-Shen Huang; Chih-Hong Kuo; Chang-Chih Hsieh; Yih-Chern Horng","Selective capture of volatile iodine using amorphous molecular organic solids","Chem.Commun.","2012","48","","3227","","10.1039/c2cc17716a","","x-ray","0.71073","MoKα","","0.1417","0.0924","","","0.2989","0.3261","","","","","","1.015","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107477","9.185","0.0007","13.9246","0.0011","16.2335","0.0013","75.704","0.002","87.418","0.002","72.161","0.002","1914.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O12 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","2","","Qiang Liu; Qingyong Zhao; Jie Liu; Pan Wu; Hong Yi; Aiwen Lei","A trans diacyloxylation of indoles","Chem.Commun.","2012","48","","3239","","10.1039/c2cc17815j","","","0.71073","MoKα","","0.1454","0.0638","","","0.1233","0.1515","","","","","","0.901","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107478","8.8633","0.001","18.912","0.002","8.4229","0.0009","90","","94.108","0.002","90","","1408.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O5 -","- C14 H15 N O5 -","- C56 H60 N4 O20 -","4","1","","Qiang Liu; Qingyong Zhao; Jie Liu; Pan Wu; Hong Yi; Aiwen Lei","A trans diacyloxylation of indoles","Chem.Commun.","2012","48","","3239","","10.1039/c2cc17815j","","","0.71073","MoKα","","0.0705","0.0595","","","0.1481","0.1555","","","","","","1.136","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107479","13.4362","0.0014","29.6111","0.0012","37.4139","0.0018","90","","90","","90","","14885.5","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H109 Co8 N6 O90 -","- C90 H109 Co8 N6 O90 -","- C360 H436 Co32 N24 O360 -","4","0.5","","Zhi-Guo Gu; Xin-Xin Xu; Wen Zhou; Chun-Yan Pang; Fei-Fei Bao; Zaijun Li","A new type of entangled coordination network: coexistence of polythreading and polyknotting involved molecular braids","Chem.Commun.","2012","48","","3212","","10.1039/c2cc17821d","","","0.71073","MoKα","","0.0908","0.0503","","","0.1145","0.1447","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107480","18.56","0.006","9.955","0.003","11.987","0.004","90","","129.413","0.0008","90","","1711.1","0.9","299","","299","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H2 I3 N -","- C5 H2 I3 N -","- C40 H16 I24 N8 -","8","1","","Toyonobu Usuki; Haruka Yamada; Takahiro Hayashi; Hiroto Yanuma; Yohei Koseki; Noriyuki Suzuki; Yoshiro Masuyama; Yong Lin","Total synthesis of COPD biomarker desmosine that crosslinks elastin","Chem.Commun.","2012","48","","3233","","10.1039/c2cc17958j","","","0.7107","MoKα","","","0.0335","","","","0.0937","","","","","","1.193","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107481","7.065","0.006","12.192","0.011","9.672","0.008","90","","89.993","0.005","90","","833.1","1.2","299","","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H2 Br I2 N -","- C5 H2 Br I2 N -","- C20 H8 Br4 I8 N4 -","4","1","","Toyonobu Usuki; Haruka Yamada; Takahiro Hayashi; Hiroto Yanuma; Yohei Koseki; Noriyuki Suzuki; Yoshiro Masuyama; Yong Lin","Total synthesis of COPD biomarker desmosine that crosslinks elastin","Chem.Commun.","2012","48","","3233","","10.1039/c2cc17958j","","","0.7107","MoKα","","","0.0416","","","","0.102","","","","","","0.888","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107482","12.487","0.004","8.246","0.002","18.729","0.006","90","","101.359","0.005","90","","1890.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Br2 N2 Ni -","- C17 H20 Br2 N2 Ni -","- C68 H80 Br8 N8 Ni4 -","4","1","","Haiyang Gao; Haibin Hu; Fangming Zhu; Qing Wu","Thermally Robust Amine-Imine Nickel Catalyst Precursor for Living Polymerization of Ethylene above Room Temperature","Chem.Commun.","2012","48","","3312","","10.1039/c2cc17154f","","","0.71073","MoKα","","0.1173","0.051","","","0.1235","0.147","","","","","","0.932","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107483","15.23","0.005","17.385","0.005","8.388","0.003","90","","90","","90","","2220.9","1.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H29 Br2 N2 Ni -","- C21 H29 Br2 N2 Ni -","- C84 H116 Br8 N8 Ni4 -","4","0.5","","Haiyang Gao; Haibin Hu; Fangming Zhu; Qing Wu","Thermally Robust Amine-Imine Nickel Catalyst Precursor for Living Polymerization of Ethylene above Room Temperature","Chem.Commun.","2012","48","","3312","","10.1039/c2cc17154f","","","0.71073","MoKα","","0.0765","0.0408","","","0.0988","0.1113","","","","","","0.986","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107484","10.803","0.002","20.726","0.005","13.844","0.003","90","","101.466","0.004","90","","3037.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 Br2 N2 Ni -","- C29 H44 Br2 N2 Ni -","- C116 H176 Br8 N8 Ni4 -","4","1","","Haiyang Gao; Haibin Hu; Fangming Zhu; Qing Wu","Thermally Robust Amine-Imine Nickel Catalyst Precursor for Living Polymerization of Ethylene above Room Temperature","Chem.Commun.","2012","48","","3312","","10.1039/c2cc17154f","","","0.71073","MoKα","","0.0692","0.0417","","","0.1039","0.1188","","","","","","1.016","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107485","12.072","0.001","12.072","0.001","22.609","0.001","90","","90","","120","","2853.5","0.4","150","0.1","150","0.1","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C37 H40 Cl2 O3 P2 S2 Zr -","- C33 H32 Cl2 O2 P2 S2 Zr -","- C99 H96 Cl6 O6 P6 S6 Zr3 -","3","0.5","","Marie Fustier-Boutignon; Hadrien Heuclin; Xavier Frederic Le Goff; Nicolas Mezailles","Transmetalation of Nucleophilic Carbene Fragment: from Early to Late Transition Metals","Chem.Commun.","2012","48","","3306","3308","10.1039/c2cc17934b","","","0.71069","MoKα","","0.0335","0.0326","","","0.0939","0.0945","","","","","","1.128","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107486","16.98","0.001","16.98","0.001","19.74","0.001","90","","90","","90","","5691.4","0.6","150","0.1","150","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C58 H56 Fe2 O2 P4 S4 -","- C50 H40 Fe2 P4 S4 -","- C200 H160 Fe8 P16 S16 -","4","0.5","","Marie Fustier-Boutignon; Hadrien Heuclin; Xavier Frederic Le Goff; Nicolas Mezailles","Transmetalation of Nucleophilic Carbene Fragment: from Early to Late Transition Metals","Chem.Commun.","2012","48","","3306","3308","10.1039/c2cc17934b","","","0.71069","MoKα","","0.0533","0.0466","","","0.1144","0.1184","","","","","","1.093","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107487","11.197","0.0008","7.4443","0.0005","12.4368","0.0009","90","","98.003","0.002","90","","1026.56","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O4 -","- C23 H19 Br N2 O4 -","- C46 H38 Br2 N4 O8 -","2","1","","Michele Retini; Giulia Bergonzini; Paolo Melchiorre","Dioxindole in asymmetric catalytic synthesis: direct access to 3-substituted 3-hydroxy-2-oxindoles via 1,4-additions to nitroalkenes","Chem.Commun.","2012","48","","3336","","10.1039/c2cc30198a","","","0.71073","MoKα","","0.0325","0.0288","","","0.0841","0.0883","","","","","","0.696","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7107488","18.325","0.0018","18.8786","0.0019","20.298","0.002","90","","95.635","0.002","90","","6988.2","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H101 N12 O19.5 -","- C58 H88 N12 O19.5 -","- C232 H352 N48 O78 -","4","2","","Thomas Boddaert; Jordi Sola; Madeleine Helliwell; Jonathan Clayden","Chemical communication: conductors and insulators of screw-sense preference between helical oligo(aminoisobutyric acid) domains","Chem.Commun.","2012","48","","3397","","10.1039/c2cc00060a","","","0.71073","MoKα","","0.1221","0.0827","","","0.1912","0.2142","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107489","13.774","0.007","9.54","0.005","48.58","0.02","90","","94.375","0.009","90","","6365","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H88.5 N12 O14.25 -","- C57 H86 N12 O14.25 -","- C228 H344 N48 O57 -","4","2","","Thomas Boddaert; Jordi Sola; Madeleine Helliwell; Jonathan Clayden","Chemical communication: conductors and insulators of screw-sense preference between helical oligo(aminoisobutyric acid) domains","Chem.Commun.","2012","48","","3397","","10.1039/c2cc00060a","","","0.71073","MoKα","","0.161","0.1288","","","0.308","0.3294","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107490","9.989","0.0002","6.47394","0.00013","12.111","0.0003","90","","99.014","0.002","90","","773.52","0.03","123","","123","","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Klaus Harrar; Oliver Reiser","Enantioselective Synthesis of (-)-Paeonilide","Chem. Commun.","2012","48","","3457","","10.1039/c2cc18172j","","x-ray","1.54184","CuKα","","0.0452","0.0438","","","0.116","0.119","","","","","","1.036","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107491","6.6331","0.0004","15.38","0.001","15.6364","0.001","90","","90","","90","","1595.18","0.17","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N O5 -","- C15 H18 Cl N O5 -","- C60 H72 Cl4 N4 O20 -","4","1","","Klaus Harrar; Oliver Reiser","Enantioselective Synthesis of (-)-Paeonilide","Chem. Commun.","2012","48","","3457","","10.1039/c2cc18172j","","x-ray","1.54184","CuKα","","0.0868","0.0738","","","0.2097","0.2274","","","","","","1.089","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107492","5.39904","0.00017","14.8577","0.0004","8.6593","0.0003","90","","103.704","0.003","90","","674.85","0.04","123","","123","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Klaus Harrar; Oliver Reiser","Enantioselective Synthesis of (-)-Paeonilide","Chem. Commun.","2012","48","","3457","","10.1039/c2cc18172j","","x-ray","1.54184","CuKα","","0.0487","0.0444","","","0.1187","0.125","","","","","","1.045","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107493","11.2772","0.0009","36.002","0.003","14.1324","0.0012","90","","104.966","0.002","90","","5543.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H61 Cu I N6 Sc -","- C40 H61 Cu I N6 Sc -","- C160 H244 Cu4 I4 N24 Sc4 -","4","1","","Erli Lu; Qinghai Zhou; Yuxue Li; Jiaxiang Chu; Yaofeng Chen; Xuebing Leng; Jie Sun","Reactivity of scandium terminal imido complexes towards metal halides","Chem.Commun.","2012","48","","3403","","10.1039/c2cc30220a","","","0.71073","MoKα","","0.0847","0.0496","","","0.1005","0.1049","","","","","","0.946","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107494","13.252","0.0012","22.398","0.002","15.4942","0.0014","90","","110.355","0.001","90","","4311.8","0.7","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 Cl N5 Rh Sc -","- C44 H70 Cl N5 Rh Sc -","- C176 H280 Cl4 N20 Rh4 Sc4 -","4","1","","Erli Lu; Qinghai Zhou; Yuxue Li; Jiaxiang Chu; Yaofeng Chen; Xuebing Leng; Jie Sun","Reactivity of scandium terminal imido complexes towards metal halides","Chem.Commun.","2012","48","","3403","","10.1039/c2cc30220a","","","0.71073","MoKα","","0.0855","0.045","","","0.0996","0.1194","","","","","","0.985","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107495","23.527","0.003","12.3238","0.0013","15.6154","0.0016","90","","105.94","0.002","90","","4353.5","0.8","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H70 Cl Ir N5 Sc -","- C44 H70 Cl Ir N5 Sc -","- C176 H280 Cl4 Ir4 N20 Sc4 -","4","1","","Erli Lu; Qinghai Zhou; Yuxue Li; Jiaxiang Chu; Yaofeng Chen; Xuebing Leng; Jie Sun","Reactivity of scandium terminal imido complexes towards metal halides","Chem.Commun.","2012","48","","3403","","10.1039/c2cc30220a","","","0.71073","MoKα","","0.0311","0.0272","","","0.0626","0.0645","","","","","","1.01","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107496","9.9374","0.0019","26.392","0.004","12.695","0.002","90","","108.149","0.006","90","","3163.8","0.9","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 Hg2 N4 O3 S4 -","- C58 H72 Hg2 N4 O3 S4 -","- C116 H144 Hg4 N8 O6 S8 -","2","0.5","","Zih-Syuan Wu; Jui-Ting Hsu; Chang-Chih Hsieh; Yih-Chern Horng","Assembly and disassembly of a Zn10 high-nuclearity circular helicate","Chem.Commun.","2012","48","","3436","","10.1039/c2cc30381g","","x-ray","0.71073","MoKα","","0.1325","0.0751","","","0.181","0.2104","","","","","","1.047","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107497","26.7089","0.0014","25.688","0.0011","27.0302","0.0016","90","","117.334","0.007","90","","16474.7","1.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C260 H300 N20 S20 Zn10 -","- C260 H300 N20 S20 Zn10 -","- C520 H600 N40 S40 Zn20 -","2","0.5","","Zih-Syuan Wu; Jui-Ting Hsu; Chang-Chih Hsieh; Yih-Chern Horng","Assembly and disassembly of a Zn10 high-nuclearity circular helicate","Chem.Commun.","2012","48","","3436","","10.1039/c2cc30381g","","x-ray","0.71073","MoKα","","0.173","0.0657","","","0.1344","0.1414","","","","","","0.965","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107498","16.8513","0.0012","10.3795","0.0008","12.6903","0.0009","90","","96.615","0.001","90","","2204.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 Si -","- C24 H23 N3 Si -","- C96 H92 N12 Si4 -","4","1","","Wuming Yan; Xiaohan Ye; Keith Weise; Jeffrey L. Petersen; Xiaodong Shi","Synthesis of allene triazole through iron catalyzed regioselective addition to propargyl alcohols","Chem.Commun.","2012","48","","3521","","10.1039/c2cc17522c","","","0.71073","MoKα","","0.0598","0.0482","","","0.1352","0.1464","","","","","","1.049","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107499","8.5226","0.0007","10.4959","0.0008","14.8144","0.0012","71.454","0.001","89.929","0.001","72.667","0.001","1192.89","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N3 O Si -","- C25 H25 N3 O Si -","- C50 H50 N6 O2 Si2 -","2","1","","Wuming Yan; Xiaohan Ye; Keith Weise; Jeffrey L. Petersen; Xiaodong Shi","Synthesis of allene triazole through iron catalyzed regioselective addition to propargyl alcohols","Chem.Commun.","2012","48","","3521","","10.1039/c2cc17522c","","","0.71073","MoKα","","0.0664","0.0516","","","0.1444","0.1586","","","","","","1.053","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107500","9.8385","0.0008","11.9791","0.001","15.5682","0.0013","90","","93.823","0.001","90","","1830.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Wuming Yan; Xiaohan Ye; Keith Weise; Jeffrey L. Petersen; Xiaodong Shi","Synthesis of allene triazole through iron catalyzed regioselective addition to propargyl alcohols","Chem.Commun.","2012","48","","3521","","10.1039/c2cc17522c","","","0.71073","MoKα","","0.0662","0.0533","","","0.155","0.1687","","","","","","1.049","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107501","12.0515","0.0012","15.0765","0.0015","15.9874","0.0016","114.773","0.002","92.532","0.002","96.523","0.002","2606.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N6 Si -","- C27 H26 N6 Si -","- C108 H104 N24 Si4 -","4","2","","Wuming Yan; Xiaohan Ye; Keith Weise; Jeffrey L. Petersen; Xiaodong Shi","Synthesis of allene triazole through iron catalyzed regioselective addition to propargyl alcohols","Chem.Commun.","2012","48","","3521","","10.1039/c2cc17522c","","","0.71073","MoKα","","0.1073","0.0635","","","0.1728","0.2013","","","","","","1.032","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107502","20.3557","0.0018","11.1404","0.0011","21.776","0.002","90","","110.508","0.002","90","","4625.2","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F2 N3 Si -","- C24 H21 F2 N3 Si -","- C192 H168 F16 N24 Si8 -","8","2","","Wuming Yan; Xiaohan Ye; Keith Weise; Jeffrey L. Petersen; Xiaodong Shi","Synthesis of allene triazole through iron catalyzed regioselective addition to propargyl alcohols","Chem.Commun.","2012","48","","3521","","10.1039/c2cc17522c","","","0.71073","MoKα","","0.0942","0.0465","","","0.1177","0.1421","","","","","","1.014","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107503","13.143","0.005","14.656","0.005","11.278","0.004","90","","102.4","0.03","90","","2121.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O -","- C22 H32 N2 O -","- C88 H128 N8 O4 -","4","1","","Li, Yibiao; Zhao, Jian; Chen, Huoji; Liu, Bifu; Jiang, Huanfeng","Pd-catalyzed and CsF-promoted reaction of bromoalkynes with isocyanides: regioselective synthesis of substituted 5-iminopyrrolones","Chemical Communications (Cambridge, United Kingdom)","2012","48","29","3545","3547","10.1039/c2cc17717j","","","0.71073","MoKα","","0.0887","0.0601","","","0.1454","0.1726","","","","","","1.022","","","","has coordinates","209514","2020-10-21","18:00:00",""
"7107504","16.861","0.003","18.896","0.004","42.547","0.009","88.032","0.009","88.979","0.01","66.792","0.009","12451","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C407 H627 Cu12 Mn8 N32 O95 S20 -","- C407 H621 Cu12 Mn8 N32 O95 S20 -","- C407 H621 Cu12 Mn8 N32 O95 S20 -","1","0.5","","Jesus Ferrando-Soria; Thais Grancha; Miguel Julve; Joan Cano; Francesc Lloret; Yves Journaux; Jorge Pasan; Catalina Ruiz-Perez; Emilio Pardo","Ligand effects on the dimensionality of oxamato-bridged mixed-metal open-framework magnets","Chem.Commun.","2012","48","","3539","","10.1039/c2cc17767f","","","0.7385","","","0.1707","0.1457","","","0.4283","0.4484","","","","","","1.774","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107505","24.393","0.005","23.706","0.005","24.523","0.005","90","","112.81","0.03","90","","13072","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C210 H324.768 Cu6 Mn4 N16 O46.384 S -","- C210 H306 Cu6 Mn4 N16 O46.384 S -","- C420 H612 Cu12 Mn8 N32 O92.768 S2 -","2","0.25","","Jesus Ferrando-Soria; Thais Grancha; Miguel Julve; Joan Cano; Francesc Lloret; Yves Journaux; Jorge Pasan; Catalina Ruiz-Perez; Emilio Pardo","Ligand effects on the dimensionality of oxamato-bridged mixed-metal open-framework magnets","Chem.Commun.","2012","48","","3539","","10.1039/c2cc17767f","","","0.7385","","","0.1877","0.1549","","","0.4452","0.4682","","","","","","1.832","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107506","7.0704","0.0014","9.5189","0.0019","20.411","0.004","90","","90","","90","","1373.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Gang Zhao; Shan Qian","Total synthesis of (+)-chloranthalactone F","Chem.Commun.","2012","48","","3530","","10.1039/c2cc17882f","","","0.71073","MoKα","","0.0437","0.039","","","0.1004","0.1045","","","","","","1.051","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107507","11.7192","0.0009","12.372","0.0009","16.8928","0.0012","90","","90","","90","","2449.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C120 H128 O16 -","4","1","","Gang Zhao; Shan Qian","Total synthesis of (+)-chloranthalactone F","Chem.Commun.","2012","48","","3530","","10.1039/c2cc17882f","","","0.71073","MoKα","","0.044","0.0376","","","0.0959","0.0997","","","","","","1.027","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107508","5.614","0.002","8.72","0.003","10.053","0.004","78.575","0.011","82.289","0.012","87.57","0.015","478","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 Cl N2 O3.23 -","- C20 H23 Cl N2 O3.245 -","- C20 H23 Cl N2 O3.245 -","1","1","","Peng Chen; Ming Gao; De-Xian Wang; Liang Zhao; Mei-Xiang Wang","Practical biocatalytic desymmetrization of meso-N-heterocyclic dicarboxamides and their application in the construction of aza-sugar containing nucleoside analogs","Chem.Commun.","2012","48","","3482","","10.1039/c2cc18012j","","","0.71073","MoKα","","0.0522","0.0505","","","0.1212","0.1232","","","","","","1.064","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107509","17.224","0.005","5.1542","0.0015","20.107","0.006","90","","113.663","0.005","90","","1634.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","1","","Wei-Jian Xue; Qi Li; Yan-Ping Zhu; Jun-Gang Wang; An-Xin Wu","Convergent integration of two self-labor domino sequences: a novel method for the synthesis of oxazole derivatives from methyl ketones and benzoins","Chem.Commun.","2012","48","","3485","","10.1039/c2cc18077d","","","0.71073","MoKα","","0.1421","0.1073","","","0.1659","0.1765","","","","","","1.226","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107510","6.211","0.003","16.562","0.008","18.215","0.009","90","","94.318","0.009","90","","1868.4","1.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N O2 -","- C26 H17 N O2 -","- C104 H68 N4 O8 -","4","1","","Wei-Jian Xue; Qi Li; Yan-Ping Zhu; Jun-Gang Wang; An-Xin Wu","Convergent integration of two self-labor domino sequences: a novel method for the synthesis of oxazole derivatives from methyl ketones and benzoins","Chem.Commun.","2012","48","","3485","","10.1039/c2cc18077d","","","0.71073","MoKα","","0.1109","0.0797","","","0.1372","0.147","","","","","","1.151","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107511","6.5338","0.0009","21.451","0.003","12.1305","0.0016","90","","95.016","0.003","90","","1693.7","0.4","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","4","","Wei-Jian Xue; Qi Li; Yan-Ping Zhu; Jun-Gang Wang; An-Xin Wu","Convergent integration of two self-labor domino sequences: a novel method for the synthesis of oxazole derivatives from methyl ketones and benzoins","Chem.Commun.","2012","48","","3485","","10.1039/c2cc18077d","","","0.71073","MoKα","","0.1036","0.0606","","","0.1052","0.1213","","","","","","0.992","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107512","5.866","0.0007","7.5451","0.0009","56.721","0.007","91.309","0.002","91.191","0.002","90.093","0.002","2509.2","0.5","185","2","185","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 S4 -","- C28 H32 S4 -","- C112 H128 S16 -","4","2","","Hongkun Tian; Yang Han; Cheng Bao; Donghang Yan; Yanhou Geng; Fosong Wang","An asymmetric oligomer based on thienoacene for solution processed crystal organic thin-film transistors","Chem.Commun.","2012","48","","3557","","10.1039/c2cc30407d","","","0.71073","MoKα","","0.1472","0.1367","","","0.3014","0.306","","","","","","1.247","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107513","15.8044","0.0007","27.0221","0.0011","28.4067","0.0012","90","","94.993","0.001","90","","12085.6","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(K-crypt)4 [BiSn6Ge28-Ge2Sn6Bi] 2en","","- C75 H156 Bi2 Ge4 K4 N11 O24 Sn12 -","- C75 H156 Bi2 Ge4 K4 N11 O24 Sn12 -","- C300 H624 Bi8 Ge16 K16 N44 O96 Sn48 -","4","1","","Miriam M. Gillett-Kunnath; Alvaro Munoz-Castro; Slavi C. Sevov","Tri-metallic deltahedral Zintl ions: experimental and theoretical studies of the novel dimer [(Sn6Ge2Bi)2]\4-","Chem.Commun.","2012","48","","3524","","10.1039/c2cc30459g","","","0.71073","MoKα","","0.1062","0.0598","","","0.148","0.163","","","","","","0.957","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107514","19.119","0.006","5.5114","0.0016","15.207","0.004","90","","109.351","0.006","90","","1511.9","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 F N O2 -","- C18 H20 F N O2 -","- C72 H80 F4 N4 O8 -","4","1","","Michal Fornalczyk; Kuldip Singh; Alison M. Stuart","Synthesis of a-fluoro-B-hydroxy esters by an enantioselective Reformatsky-type reaction","Chem.Commun.","2012","48","","3500","","10.1039/c2cc17985g","","","0.71073","MoKα","","0.1326","0.0608","","","0.0819","0.0972","","","","","","0.826","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107515","8.306","0.003","9.746","0.003","18.935","0.006","90","","90","","90","","1532.8","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F N O2 -","- C18 H20 F N O2 -","- C72 H80 F4 N4 O8 -","4","1","","Michal Fornalczyk; Kuldip Singh; Alison M. Stuart","Synthesis of a-fluoro-B-hydroxy esters by an enantioselective Reformatsky-type reaction","Chem.Commun.","2012","48","","3500","","10.1039/c2cc17985g","","","0.71073","MoKα","","0.0505","0.0417","","","0.0774","0.0801","","","","","","0.995","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107516","23.157","0.005","27.317","0.007","22.592","0.005","90","","90","","90","","14291","6","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C75 H34 N10 O37 Zn9 -","- C75 H34 N10 O37 Zn9 -","- C300 H136 N40 O148 Zn36 -","4","0.5","","Zhi-Qiang Jiang; Guiyuan Jiang; Fei Wang; Zhen Zhao; Jian Zhang","Ring-size controllable metallamacrocycles as building blocks for the construction of microporous metal-organic frameworks","Chem.Commun.","2012","48","","3653","","10.1039/c2cc17256a","","","0.71073","MoKα","","0.0677","0.0518","","","0.1461","0.1543","","","","","","0.928","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107517","22","0.01","22","0.01","23","0.01","90","","90","","90","","11132","9","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H22 N4 O13 Zn3 -","- C28 H22 N4 O13 Zn3 -","- C224 H176 N32 O104 Zn24 -","8","0.5","","Zhi-Qiang Jiang; Guiyuan Jiang; Fei Wang; Zhen Zhao; Jian Zhang","Ring-size controllable metallamacrocycles as building blocks for the construction of microporous metal-organic frameworks","Chem.Commun.","2012","48","","3653","","10.1039/c2cc17256a","","","0.71073","MoKα","","0.0739","0.0543","","","0.1435","0.1564","","","","","","0.993","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107518","21.265","0.004","21.265","0.004","22.666","0.006","90","","90","","90","","10250","4","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H20 N4 O13 Zn3 -","- C24 H20 N4 O13 Zn3 -","- C192 H160 N32 O104 Zn24 -","8","0.5","","Zhi-Qiang Jiang; Guiyuan Jiang; Fei Wang; Zhen Zhao; Jian Zhang","Ring-size controllable metallamacrocycles as building blocks for the construction of microporous metal-organic frameworks","Chem.Commun.","2012","48","","3653","","10.1039/c2cc17256a","","","0.71073","MoKα","","0.0945","0.0781","","","0.2141","0.2374","","","","","","1.06","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107519","14.78","0.004","29.572","0.009","28.775","0.009","90","","95.032","0.003","90","","12528","6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H78 N22 O4 Zn2 -","- C114 H78 N22 O4 Zn2 -","- C456 H312 N88 O16 Zn8 -","4","1","","Jianhong Zhang; Yongjun Li; Wenlong Yang; Sui-Wai Lai; Chunjie Zhou; Huibiao Liu; Chi-Ming Che; Yuliang Li","A smart porphyrin cage for recognizing azide anions","Chem.Commun.","2012","48","","3602","","10.1039/c2cc17270d","","","0.71073","MoKα","","0.1095","0.0875","","","0.2308","0.2426","","","","","","1.333","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107520","20.269","0.002","20.269","0.002","39.645","0.004","90","","90","","90","","16287","3","250","2","250","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","(Zn3(BTEB)2(DMF)2) (TCM-1)","","","- C72 H44 N2 O14 Zn3 -","- C72 H32 N2 O14 Zn3 -","- C288 H128 N8 O56 Zn12 -","4","0.5","","Nianyong Zhu; Gerard Tobin; Wolfgang Schmitt","Extending the family of Zn-based MOFs: Synthetic approaches to chiral framework structures and MOFs with large pores and channels","Chem.Commun.","2012","48","","3638","","10.1039/c2cc17357c","","","0.71073","MoKα","","0.126","0.0431","","","0.0678","0.0799","","","","","","0.762","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107521","25.1355","0.0017","37.055","0.002","20.2587","0.0014","90","","124.71","0.02","90","","15511","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H59 N2 O22 Zn5 -","- C105 H59 N2 O22 Zn5 -","- C420 H236 N8 O88 Zn20 -","4","0.5","","Nianyong Zhu; Gerard Tobin; Wolfgang Schmitt","Extending the family of Zn-based MOFs: Synthetic approaches to chiral framework structures and MOFs with large pores and channels","Chem.Commun.","2012","48","","3638","","10.1039/c2cc17357c","","","0.71073","MoKα","","0.0672","0.0472","","","0.1303","0.1385","","","","","","0.914","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107522","13.9844","0.0004","14.083","0.0004","18.5657","0.0006","79.519","0.001","75.857","0.001","63.285","0.001","3156.09","0.17","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H94 Cl2 Ge N2 P2 -","- C63 H94 Cl2 Ge N2 P2 -","- C126 H188 Cl4 Ge2 N4 P4 -","2","1","","Dimitri Matioszek; Tibor Kocsor; Annie Castel; Gabriela Nemes; Jean Escudie; Nathalie Saffon","Phosphaalkenyl germylenes and their gold, tungsten and molybdenum complexes","Chem.Commun.","2012","48","","3629","","10.1039/c2cc17551g","","","0.71073","MoKα","","0.073","0.0458","","","0.1114","0.1262","","","","","","1.019","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107523","12.0774","0.0006","14.8952","0.0008","21.9932","0.0016","100.256","0.003","96.379","0.003","113.219","0.002","3505.3","0.4","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H84 Cl8 Ge N2 O4 P2 W -","- C56 H84 Cl8 Ge N2 O4 P2 W -","- C112 H168 Cl16 Ge2 N4 O8 P4 W2 -","2","1","","Dimitri Matioszek; Tibor Kocsor; Annie Castel; Gabriela Nemes; Jean Escudie; Nathalie Saffon","Phosphaalkenyl germylenes and their gold, tungsten and molybdenum complexes","Chem.Commun.","2012","48","","3629","","10.1039/c2cc17551g","","","0.71073","MoKα","","0.0445","0.0347","","","0.0877","0.093","","","","","","1.055","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107524","11.3212","0.0006","15.4945","0.0007","18.5887","0.001","79.533","0.002","87.667","0.002","77.006","0.002","3124.4","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H83 Au Cl8 Ge N2 P2 -","- C51.5 H83 Au Cl8 Ge N2 P2 -","- C103 H166 Au2 Cl16 Ge2 N4 P4 -","2","1","","Dimitri Matioszek; Tibor Kocsor; Annie Castel; Gabriela Nemes; Jean Escudie; Nathalie Saffon","Phosphaalkenyl germylenes and their gold, tungsten and molybdenum complexes","Chem.Commun.","2012","48","","3629","","10.1039/c2cc17551g","","","0.71073","MoKα","","0.049","0.0325","","","0.0723","0.079","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107525","12.1895","0.0009","37.193","0.003","27.7641","0.0018","90","","95.446","0.003","90","","12530.4","1.6","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H87 Au Cl2 Ge I N2 P2 -","- C58 H87 Au Cl2 Ge I N2 P2 -","- C464 H696 Au8 Cl16 Ge8 I8 N16 P16 -","8","1","","Dimitri Matioszek; Tibor Kocsor; Annie Castel; Gabriela Nemes; Jean Escudie; Nathalie Saffon","Phosphaalkenyl germylenes and their gold, tungsten and molybdenum complexes","Chem.Commun.","2012","48","","3629","","10.1039/c2cc17551g","","","0.71073","MoKα","","0.0875","0.0452","","","0.0805","0.0917","","","","","","1.047","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107526","8.12","0.0019","5.4244","0.0012","13.99","0.004","90","","91.881","0.008","90","","615.9","0.3","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C26 H24 F6 N2 O4 -","2","1","","Hiroyuki Kawai; Yutaka Sugita; Etsuko Tokunaga; Hiroyasu Sato; Motoo Shiro; Norio Shibata","Partially saturated fluorinated heterocycles: diastereo- and enantioselective synthesis of ?-trifluoromethyl-pyrroline carboxylates","Chem.Commun.","2012","48","","3632","","10.1039/c2cc18052a","","","1.54187","CuKα","","","0.0666","","","","0.1506","","","","","","0.81","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107527","21.508","0.0007","21.508","0.0007","25.7514","0.0013","90","","90","","120","","10316.5","0.7","100","2","100","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C63 H51 Ag2 Cl2 N13 O12 -","- C63 H51 Ag2 Cl2 N13 O12 -","- C378 H306 Ag12 Cl12 N78 O72 -","6","0.5","","Andrew Stephenson; Michael D. Ward","A triple helix of double helicates: three hierarchical levels of self-assembly in a single structure","Chem.Commun.","2012","48","","3605","","10.1039/c2cc30197k","","","0.71073","MoKα","","0.1012","0.0946","","","0.2553","0.2603","","","","","","1.108","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107528","21.2675","0.0006","21.2675","0.0006","25.9142","0.001","90","","90","","120","","10150.8","0.6","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C63 H51.667 Ag2 B2 F8 N13 O4.333 -","- C63 H51 Ag2 B1.66667 F6.66667 N13 O4.33333 -","- C378 H306 Ag12 B10 F40 N78 O26 -","6","1","","Andrew Stephenson; Michael D. Ward","A triple helix of double helicates: three hierarchical levels of self-assembly in a single structure","Chem.Commun.","2012","48","","3605","","10.1039/c2cc30197k","","","0.71073","MoKα","","0.1342","0.12","","","0.3588","0.3673","","","","","","1.481","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107529","8.5827","0.0003","13.3565","0.0005","21.0613","0.0008","90","","90","","90","","2414.36","0.15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H24 N6 O -","- C31 H24 N6 O -","- C124 H96 N24 O4 -","4","0.5","","Andrew Stephenson; Michael D. Ward","A triple helix of double helicates: three hierarchical levels of self-assembly in a single structure","Chem.Commun.","2012","48","","3605","","10.1039/c2cc30197k","","","0.71073","MoKα","","0.0764","0.0492","","","0.1362","0.173","","","","","","1.098","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107530","13.0119","0.0008","12.7579","0.0007","41.322","0.002","90","","90.465","0.003","90","","6859.4","0.7","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H58 N6 O11 Pb2 S -","- C70 H58 N6 O11 Pb2 S -","- C280 H232 N24 O44 Pb8 S4 -","4","1","","Stephane Le Gac; Btissam Najjari; Luca Fusaro; Thierry Roisnel; Vincent Dorcet; Michel Luhmer; Eric Furet; Jean-Francois Halet; Bernard Boitrel","Translocation-coupled transmetalation at the origin of a dinuclear lead porphyrin complex: implication of a hanging-atop coordination mode","Chem.Commun.","2012","48","","3724","","10.1039/c2cc00067a","","x-ray","0.71073","MoKα","","0.1069","0.0912","","","0.1894","0.1949","","","","","","1.141","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107531","51.1835","0.0013","51.1835","","16.2681","0.0004","90","","90","","120","","36908.6","1.3","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C71 H58 N6 O10 Pb -","- C71 H58 N6 O10 Pb -","- C1278 H1044 N108 O180 Pb18 -","18","1","","Stephane Le Gac; Btissam Najjari; Luca Fusaro; Thierry Roisnel; Vincent Dorcet; Michel Luhmer; Eric Furet; Jean-Francois Halet; Bernard Boitrel","Translocation-coupled transmetalation at the origin of a dinuclear lead porphyrin complex: implication of a hanging-atop coordination mode","Chem.Commun.","2012","48","","3724","","10.1039/c2cc00067a","","x-ray","0.71073","MoKα","","0.0688","0.0402","","","0.0925","0.0998","","","","","","0.924","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107532","10.2009","0.001","12.1922","0.0015","13.7244","0.0016","90","","90","","90","","1706.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Cl2 N4 O2 Pd -","- C12 H26 Cl2 N4 O2 Pd -","- C48 H104 Cl8 N16 O8 Pd4 -","4","1","","Hiroyuki Miyake; Masashi Ueda; Saori Murota; Hideki Sugimoto; Hiroshi Tsukube","Helicity Inversion from Left- to Right-Handed Square Planar Pd(II) Complexes: Synthesis of a Diastereomer Pair from a Single Chiral Ligand and their Structure Dynamism","Chem.Commun.","2012","48","","3721","","10.1039/c2cc18154a","","","0.7107","MoKα","","0.0204","0.0195","","","0.0447","0.0449","","","","","","1.01","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107533","7.0991","0.001","14.147","0.002","15.733","0.002","90","","90","","90","","1580.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 Cl N4 O2 Pd -","- C12 H25 Cl N4 O2 Pd -","- C48 H100 Cl4 N16 O8 Pd4 -","4","1","","Hiroyuki Miyake; Masashi Ueda; Saori Murota; Hideki Sugimoto; Hiroshi Tsukube","Helicity Inversion from Left- to Right-Handed Square Planar Pd(II) Complexes: Synthesis of a Diastereomer Pair from a Single Chiral Ligand and their Structure Dynamism","Chem.Commun.","2012","48","","3721","","10.1039/c2cc18154a","","","0.7107","MoKα","","0.028","0.0265","","","0.0541","0.0545","","","","","","1.131","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107534","8.2365","0.0004","9.16","0.0005","10.6061","0.0005","104.403","0.004","102.92","0.004","90.218","0.004","753.92","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Jiangling Peng; Lanying Liu; Ziwei Hu; Jinbo Huang; Qiang Zhu","Direct carboxamidation of indoles by palladium-catalyzed C-H activation and isocyanide insertion","Chem.Commun.","2012","48","","3772","","10.1039/c2cc30351e","","","1.5418","CuKα","","0.0469","0.0407","","","0.1067","0.1119","","","","","","1.051","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107535","12.3714","0.0004","10.18","0.0003","20.735","0.0006","90","","90","","90","","2611.38","0.14","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C112 H144 N16 O8 -","8","1","","Jiangling Peng; Lanying Liu; Ziwei Hu; Jinbo Huang; Qiang Zhu","Direct carboxamidation of indoles by palladium-catalyzed C-H activation and isocyanide insertion","Chem.Commun.","2012","48","","3772","","10.1039/c2cc30351e","","","1.54184","CuKα","","0.0598","0.0421","","","0.1086","0.1224","","","","","","1.064","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107536","11.9694","0.0002","15.6473","0.0003","18.9697","0.0003","90","","96.441","0.001","90","","3530.39","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H48 F6 N10 Ni O6 S2 -","- C23 H48 F6 N10 Ni O6 S2 -","- C92 H192 F24 N40 Ni4 O24 S8 -","4","1","","Florian Felix Pfaff; Florian Heims; Subrata Kundu; Stefan Mebs; Kallol Ray","Spectroscopic capture and reactivity of S = 1/2 nickel(III)-oxygen intermediates in the reaction of a NiII-salt with mCPBA","Chem.Commun.","2012","48","","3730","","10.1039/c2cc30716b","","","0.71073","MoKα","","0.0664","0.0601","","","0.1655","0.1677","","","","","","1.277","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107537","7.4412","0.0016","10.655","0.002","17.446","0.004","90","","90","","90","","1383.2","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","1","","Lars-Arne Schaper; Karl Ofele; Renat Kadyrov; Bettina Bechlars; Markus Drees; Mirza Cokoja; Wolfgang A. Herrmann; Fritz E. Kuhn","N-Heterocyclic Carbenes via Abstraction of Ammonia Filling a Gap: ""Normal"" Carbenes with ""Abnormal"" Character","Chem.Commun.","2012","48","","3857","","10.1039/c2cc30611e","","","0.71073","MoKα","","0.0318","0.0302","","","0.0747","0.0759","","","","","","1.19","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107538","7.5266","0.0009","22.64","0.003","11.656","0.0015","90","","114.72","0.008","90","","1804.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl Ir N3 O2 -","- C18 H15 Cl Ir N3 O2 -","- C72 H60 Cl4 Ir4 N12 O8 -","4","1","","Lars-Arne Schaper; Karl Ofele; Renat Kadyrov; Bettina Bechlars; Markus Drees; Mirza Cokoja; Wolfgang A. Herrmann; Fritz E. Kuhn","N-Heterocyclic Carbenes via Abstraction of Ammonia Filling a Gap: ""Normal"" Carbenes with ""Abnormal"" Character","Chem.Commun.","2012","48","","3857","","10.1039/c2cc30611e","","","0.71073","MoKα","","0.0624","0.0469","","","0.1089","0.1161","","","","","","1.074","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107539","13.034","0.004","5.507","0.002","18.643","0.006","90","","106.3","0.02","90","","1284.4","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Lars-Arne Schaper; Karl Ofele; Renat Kadyrov; Bettina Bechlars; Markus Drees; Mirza Cokoja; Wolfgang A. Herrmann; Fritz E. Kuhn","N-Heterocyclic Carbenes via Abstraction of Ammonia Filling a Gap: ""Normal"" Carbenes with ""Abnormal"" Character","Chem.Commun.","2012","48","","3857","","10.1039/c2cc30611e","","","0.71073","MoKα","","0.1082","0.0605","","","0.1311","0.1521","","","","","","1.047","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107540","5.7486","0.0004","11.6907","0.0008","12.9093","0.0009","67.988","0.003","87.564","0.003","78.131","0.003","786.56","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Au Cl N3 -","- C16 H15 Au Cl N3 -","- C32 H30 Au2 Cl2 N6 -","2","1","","Lars-Arne Schaper; Karl Ofele; Renat Kadyrov; Bettina Bechlars; Markus Drees; Mirza Cokoja; Wolfgang A. Herrmann; Fritz E. Kuhn","N-Heterocyclic Carbenes via Abstraction of Ammonia Filling a Gap: ""Normal"" Carbenes with ""Abnormal"" Character","Chem.Commun.","2012","48","","3857","","10.1039/c2cc30611e","","","0.71073","MoKα","","0.0333","0.0278","","","0.0728","0.076","","","","","","1.07","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107541","16.037","0.002","9.3525","0.0011","16.402","0.002","90","","101.572","0.003","90","","2410.1","0.5","293.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Fe N O S Si -","- C27 H27 Fe N O S Si -","- C108 H108 Fe4 N4 O4 S4 Si4 -","4","1","","Kozo Fukumoto; Akane Sakai; Tsukuru Oya; Hiroshi Nakazawa","Desulfurization of N,N-dimethylthioformamide by hydrosilane with the help of an iron complex. Isolation and characterization of an iron-carbene complex as an intermediate of C[double bond, length as m-dash]S double bond cleavage","Chem.Commun.","2012","48","","3809","","10.1039/c2cc17163e","","","0.7107","MoKα","","","0.0328","","","","0.1051","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107542","11.1665","0.0005","11.1665","","22.5811","0.001","90","","90","","120","","2438.43","0.15","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 31 2 1","P 31 2""","152","","","","- C24 H36 Cl2 Fe N4 O11 -","- C24 H36 Cl2 Fe N4 O11 -","- C72 H108 Cl6 Fe3 N12 O33 -","3","0.5","","Baptiste Plancq; Thierry Ollevier","Iron(II)-catalyzed enantioselective meso-epoxide-opening with anilines","Chem.Commun.","2012","48","","3806","","10.1039/c2cc18032d","","","1.54178","CuKα","","0.0559","0.0497","","","0.1306","0.1373","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107543","13.75","0.002","14.84","0.003","14.326","0.003","90","","116.653","0.004","90","","2612.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 N3 O2 -","- C17 H9 N3 O2 -","- C136 H72 N24 O16 -","8","2","","Weihua Chen; Brian D. Wright; Yi Pang","Rational design of a NIR-emitting Pd(II) sensor via oxidative cyclization to form a benzoxazole ring","Chem.Commun.","2012","48","","3824","","10.1039/c2cc30240c","","","0.71073","MoKα","","0.1243","0.0626","","","0.1606","0.1978","","","","","","1.003","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107544","10.1403","0.0006","14.7265","0.0009","17.2757","0.0011","108.121","0.004","102.047","0.004","101.911","0.004","2293.4","0.3","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H26 O2 Si2 -","- C78 H26 O2 Si2 -","- C156 H52 O4 Si4 -","2","1","","Yutaka Matsuo; Ayako Ozu; Naoki Obata; Naoya Fukuda; Hideyuki Tanaka; Eiichi Nakamura","Deterioration of bulk heterojunction organic photovoltaic devices by a minute amount of oxidized fullerene","Chem.Commun.","2012","48","","3878","","10.1039/c2cc30262d","","","1.54187","CuKα","","","0.0936","","","","0.2765","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107545","11.883","0.002","11.883","0.002","18.066","0.003","90","","90","","120","","2209.2","0.6","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","uranium methylenediphosphonate","","","- C H0 O8 P2 U -","- C H2 O8 P2 U -","- C6 H12 O48 P12 U6 -","6","1","","Juan Diwu; Thomas Albrecht-Schmitt","Chiral Uranium Phosphonates Constructed from Achiral Units with High Porosity Frameworks","Chem.Commun.","2012","48","","3827","","10.1039/c2cc30519d","","","0.71073","MoKα","","0.0498","0.0355","","","0.0652","0.0683","","","","","","0.887","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107546","23.613","0.003","9.0805","0.0011","12.8303","0.0016","90","","90","","90","","2751","0.6","106","2","106","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Potassium tetraethylamine uranyl methylenediphosphonate hydrate","","","- C4 H8 K2 O43 P8 U6 -","- C4 H8 K2 O43 P8 U6 -","- C8 H16 K4 O86 P16 U12 -","2","0.5","","Juan Diwu; Thomas Albrecht-Schmitt","Chiral Uranium Phosphonates Constructed from Achiral Units with High Porosity Frameworks","Chem.Commun.","2012","48","","3827","","10.1039/c2cc30519d","","","0.71073","MoKα","","0.0464","0.0388","","","0.0867","0.0887","","","","","","1.194","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107547","13.432","0.006","15.534","0.007","7.285","0.003","90","","93.759","0.006","90","","1516.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H5 Br2 F5 N2 -","- C15 H5 Br2 F5 N2 -","- C60 H20 Br8 F20 N8 -","4","0.5","","Soji Shimizu; Yuki Ito; Kazuaki Oniwa; Shoma Hirokawa; Yoshiaki Miura; Osamu Matsushita; Nagao Kobayashi","Synthesis of 5,10,15-triazaporphyrins-effect of benzo-annulation on the electronic structures","Chem.Commun.","2012","48","","3851","","10.1039/c2cc30625e","","","0.71073","MoKα","","0.0562","0.0455","","","0.1206","0.1309","","","","","","1.056","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107548","16.596","0.004","18.842","0.004","25.025","0.006","90","","101.216","0.003","90","","7676","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H66 Cl3 F5 N8 O Ru -","- C78 H66 Cl3 F5 N8 O Ru -","- C312 H264 Cl12 F20 N32 O4 Ru4 -","4","1","","Soji Shimizu; Yuki Ito; Kazuaki Oniwa; Shoma Hirokawa; Yoshiaki Miura; Osamu Matsushita; Nagao Kobayashi","Synthesis of 5,10,15-triazaporphyrins-effect of benzo-annulation on the electronic structures","Chem.Commun.","2012","48","","3851","","10.1039/c2cc30625e","","","0.71073","MoKα","","0.1587","0.0847","","","0.2051","0.2338","","","","","","0.958","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107549","26.98","0.0017","12.5178","0.0006","31.719","0.002","90","","97.596","0.008","90","","10618.5","1.1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H75 O8 Pb Sn -","- C51 H75 O8 Pb Sn -","- C408 H600 O64 Pb8 Sn8 -","8","2","","Drost, Christian; Lönnecke, Peter; Sieler, Joachim","Stannylplumbylenes: bonding between tetravalent tin and divalent lead","Chemical Communications (Cambridge, United Kingdom)","2012","48","31","3778","3780","10.1039/c2cc30687e","","","0.71073","MoKα","","0.0575","0.0296","","","0.0574","0.0608","","","","","","0.733","","","","has coordinates,has disorder","209515","2020-10-21","18:00:00",""
"7107550","14.645","0.003","14.514","0.003","11.599","0.002","90","","93.68","0.03","90","","2460.4","0.8","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H34 O4 Pb -","- C24 H34 O4 Pb -","- C96 H136 O16 Pb4 -","4","1","","Drost, Christian; Lönnecke, Peter; Sieler, Joachim","Stannylplumbylenes: bonding between tetravalent tin and divalent lead","Chemical Communications (Cambridge, United Kingdom)","2012","48","31","3778","3780","10.1039/c2cc30687e","","","0.71073","MoKα","","0.0457","0.0383","","","0.0945","0.0996","","","","","","1.062","","","","has coordinates","209515","2020-10-21","18:00:00",""
"7107551","12.272","0.002","15.377","0.003","25.439","0.004","96.85","0.003","102.309","0.003","109.506","0.003","4325.4","1.3","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H120 O12 Pb Sn2 -","- C90 H120 O12 Pb Sn2 -","- C180 H240 O24 Pb2 Sn4 -","2","1","","Drost, Christian; Lönnecke, Peter; Sieler, Joachim","Stannylplumbylenes: bonding between tetravalent tin and divalent lead","Chemical Communications (Cambridge, United Kingdom)","2012","48","31","3778","3780","10.1039/c2cc30687e","","","0.71073","MoKα","","0.0481","0.0292","","","0.0627","0.0722","","","","","","1.036","","","","has coordinates","209515","2020-10-21","18:00:00",""
"7107552","30.408","0.002","30.408","0.002","53.007","0.006","90","","90","","120","","42446","6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C212 H276 Ag6 N30 O18 P12 -","- C212 H269.97 Ag6 N27 O9 P12 -","- C1272 H1619.82 Ag36 N162 O54 P72 -","6","0.333333","","Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James","Selective formation of a polar incomplete coordination cage induced by remote ligand substituents","Chem.Commun.","2012","48","","4061","","10.1039/c2cc17832j","","","0.71073","MoKα","","0.2219","0.1219","","","0.3425","0.376","","","","","","1.006","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107553","39.4527","0.0008","39.4527","0.0008","39.4527","0.0008","90","","90","","90","","61409","2","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C254 H318 Ag6 N24 O18 P12 S6 -","- C233 H296.97 Ag6 N24 O9 P12 S3 -","- C1864 H2375.76 Ag48 N192 O72 P96 S24 -","8","0.333333","","Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James","Selective formation of a polar incomplete coordination cage induced by remote ligand substituents","Chem.Commun.","2012","48","","4061","","10.1039/c2cc17832j","","","0.71073","MoKα","","0.2195","0.1112","","","0.3148","0.361","","","","","","0.892","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107554","26.8708","0.0008","26.8708","0.0008","51.831","0.003","90","","90","","120","","32410","2","120","2","120","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C218 H276 Ag6 F18 N24 O18 P12 S2 -","- C216 H275.97 Ag6 F12 N24 O12 P12 S4 -","- C864 H1103.88 Ag24 F48 N96 O48 P48 S16 -","4","0.666667","","Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James","Selective formation of a polar incomplete coordination cage induced by remote ligand substituents","Chem.Commun.","2012","48","","4061","","10.1039/c2cc17832j","","","0.6926","synchrotron","","0.0706","0.0644","","","0.1821","0.1913","","","","","","1.045","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107555","13.2977","0.0011","5.6489","0.0004","16.1262","0.0012","90","","115.166","0.008","90","","1096.38","0.16","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br F3 N -","- C11 H9 Br F3 N -","- C44 H36 Br4 F12 N4 -","4","1","","Hiroyuki Kawai; Takashi Kitayama; Etsuko Tokunaga; Takashi Matsumoto; Hiroyasu Sato; Motoo Shiro; Norio Shibata","Catalytic enantioselective synthesis of ?-trifluoromethyl pyrrolines","Chem.Commun.","2012","48","","4067","","10.1039/c2cc18049a","","","0.71075","MoKα","","","0.0394","","","","0.1107","","","","","","0.881","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107556","5.25232","0.0001","20.3901","0.0004","12.9093","0.0003","90","","94.17","0.007","90","","1378.87","0.05","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C60 H48 F12 N4 O12 -","4","2","","Hiroyuki Kawai; Takashi Kitayama; Etsuko Tokunaga; Takashi Matsumoto; Hiroyasu Sato; Motoo Shiro; Norio Shibata","Catalytic enantioselective synthesis of ?-trifluoromethyl pyrrolines","Chem.Commun.","2012","48","","4067","","10.1039/c2cc18049a","","","1.54187","CuKα","","","0.0247","","","","0.0647","","","","","","1.099","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107557","11.473","0.006","11.029","0.006","18.45","0.009","90","","93.194","0.006","90","","2331","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 B Cl F8 N6 -","- C24 H12 B Cl F8 N6 -","- C96 H48 B4 Cl4 F32 N24 -","4","1","","Soji Shimizu; Tatsuya Otaki; Yoko Yamazaki; Nagao Kobayashi","Synthesis and properties of ?,?-sp3-hybridized subphthalocyanine analogues","Chem.Commun.","2012","48","","4100","","10.1039/c2cc30511a","","","0.71073","MoKα","","0.0396","0.0333","","","0.0795","0.0838","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107558","25.188","0.005","14.481","0.003","23.119","0.004","90","","101.694","0.003","90","","8258","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","1.DPEA","","","- C92 H96 Cl6 N10 O Zn2 -","- C92 H96 Cl6 N10 O Zn2 -","- C368 H384 Cl24 N40 O4 Zn8 -","4","1","","Sanfaori Brahma; Sk. Asif Ikbal; Soumyajit Dey; Sankar Prasad Rath","Induction of supramolecular chirality in di-zinc(II) bisporphyrin via tweezer formation: synthesis, structure and rationalization of chirality","Chem.Commun.","2012","48","","4070","","10.1039/c2cc30526g","","","0.71073","MoKα","","0.1377","0.0785","","","0.1722","0.2128","","","","","","1.045","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107559","24.136","0.005","13.526","0.005","24.539","0.005","90","0.005","116.872","0.005","90","0.005","7146","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1.CHDA","","","- C164 H182 N20 O2 Zn4 -","- C164 H182 N20 O2 Zn4 -","- C328 H364 N40 O4 Zn8 -","2","1","","Sanfaori Brahma; Sk. Asif Ikbal; Soumyajit Dey; Sankar Prasad Rath","Induction of supramolecular chirality in di-zinc(II) bisporphyrin via tweezer formation: synthesis, structure and rationalization of chirality","Chem.Commun.","2012","48","","4070","","10.1039/c2cc30526g","","","0.71073","MoKα","","0.0933","0.0593","","","0.1319","0.1501","","","","","","0.984","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107560","7.63","0.004","15.462","0.009","14.75","0.008","90","","91.94","0.04","90","","1739.1","1.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Et2PHCuIphen","","- C16 H19 Cu I N2 P -","- C16 H19 Cu I N2 P -","- C64 H76 Cu4 I4 N8 P4 -","4","1","","Ibrahim Abdellah; Elise Bernoud; Jean-Francois Lohier; Carole Alayrac; Loic Toupet; Christine Lepetit; Annie-Claude Gaumont","Neutral copper-phosphido-borane complexes: Synthesis, characterization, and catalytic activity in Csp-P bond formation","Chem.Commun.","2012","48","","4088","","10.1039/c2cc30723e","","","0.71073","MoKα","","0.032","0.0224","","","0.0512","0.0568","","","","","","1.101","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107561","9.7656","0.0014","11.5098","0.0017","16.082","0.003","98.116","0.003","99.785","0.003","112.221","0.004","1606.7","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Ph2PHCuPPh2BH3phen","","- C36 H32 B Cu N2 P2 -","- C36 H32 B Cu N2 P2 -","- C72 H64 B2 Cu2 N4 P4 -","2","1","","Ibrahim Abdellah; Elise Bernoud; Jean-Francois Lohier; Carole Alayrac; Loic Toupet; Christine Lepetit; Annie-Claude Gaumont","Neutral copper-phosphido-borane complexes: Synthesis, characterization, and catalytic activity in Csp-P bond formation","Chem.Commun.","2012","48","","4088","","10.1039/c2cc30723e","","","0.71073","MoKα","","0.0448","0.033","","","0.09","0.0977","","","","","","1.023","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107562","27.1263","0.0005","13.9139","0.0003","16.8585","0.0003","90","","114.852","0.001","90","","5773.7","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Et2PHCuPPh2BH3phen","","- C28 H32 B Cu N2 P2 -","- C28 H32 B Cu N2 P2 -","- C224 H256 B8 Cu8 N16 P16 -","8","1","","Ibrahim Abdellah; Elise Bernoud; Jean-Francois Lohier; Carole Alayrac; Loic Toupet; Christine Lepetit; Annie-Claude Gaumont","Neutral copper-phosphido-borane complexes: Synthesis, characterization, and catalytic activity in Csp-P bond formation","Chem.Commun.","2012","48","","4088","","10.1039/c2cc30723e","","","0.71073","MoKα","","0.0586","0.0507","","","0.1543","0.1615","","","","","","1.131","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107563","12.7056","0.001","12.6356","0.0011","19.7176","0.0017","90","","95.378","0.004","90","","3151.6","0.5","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)copper(II) ditetrafluoroborate","","- C30 H22 B2 Cu F8 N6 -","- C30 H22 B2 Cu F8 N6 -","- C120 H88 B8 Cu4 F32 N24 -","4","1","","Rebecca Docherty; Floriana Tuna; Colin Kilner; Eric McInnes; Malcolm A.Halcrow","Suppression of the Jahn-Teller distortion in a six-coordinate copper(II) complex by doping it into a host lattice","Chem.Commun.","2012","48","","4055","","10.1039/c2cc30873h","","","0.71073","MoKα","","0.085","0.0718","","","0.196","0.2059","","","","","","1.092","","","","has coordinates,has disorder","209424","2020-10-21","18:00:00",""
"7107564","12.669","0.001","12.5211","0.001","19.4354","0.0016","90","","95.776","0.004","90","","3067.4","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(2,2':6',2''-terpyridine)copper(II) ditetrafluoroborate","","- C30 H22 B2 Cu F8 N6 -","- C30 H22 B2 Cu F8 N6 -","- C120 H88 B8 Cu4 F32 N24 -","4","1","","Rebecca Docherty; Floriana Tuna; Colin Kilner; Eric McInnes; Malcolm A.Halcrow","Suppression of the Jahn-Teller distortion in a six-coordinate copper(II) complex by doping it into a host lattice","Chem.Commun.","2012","48","","4055","","10.1039/c2cc30873h","","","0.71073","MoKα","","0.0765","0.0705","","","0.197","0.2036","","","","","","1.063","","","","has coordinates,has disorder","209424","2020-10-21","18:00:00",""
"7107565","8.5546","0.0003","13.5341","0.0004","13.9935","0.0005","82.244","0.001","87.146","0.001","72.358","0.001","1529.76","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(3G)CoCl](CF3SO3)","","","- C21 H45 Cl Co F3 N9 O3 S -","- C21 H45 Cl Co F3 N9 O3 S -","- C42 H90 Cl2 Co2 F6 N18 O6 S2 -","2","1","","Joseph M. Zadrozny; Junjie Liu; Nicholas A. Piro; Christopher J. Chang; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation in a Pseudotetrahedral Cobalt(II) Complex with Easy-Plane Anisotropy","Chem.Commun.","2012","48","","3927","","10.1039/c2cc16430b","","","0.71073","MoKα","","0.0345","0.031","","","0.0816","0.084","","","","","","1.026","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107566","13.5149","0.0004","14.1091","0.0004","27.8446","0.0007","90","","101.356","0.0008","90","","5205.5","0.3","113","","113","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C58 H58 Cl2 N2 O4 P2 Pt2 -","- C58 H53 Cl2 N2 O4 P2 Pt2 -","- C232 H212 Cl8 N8 O16 P8 Pt8 -","4","1","","Katsuhiro Isozaki; Kazuki Ogata; Yusuke Haga; Daisuke Sasano; Tetsuya Ogawa; Hiroki Kurata; Masaharu Nakamura; Takeshi Naota; Hikaru Takaya","Metal array fabrication through self-assembly of Pt-complex-bound amino acids","Chem.Commun.","2012","48","","3936","","10.1039/c2cc17530d","","","0.71075","MoKα","","","0.0223","","","","0.0573","","","","","","1.07","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107567","7.8304","0.0016","26.31","0.005","30.543","0.006","90","","90","","90","","6292","2","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H7 Fe N12 -","- C12 H7 Fe N12 -","- C192 H112 Fe16 N192 -","16","0.5","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.0372","0.0336","","","0.0917","0.094","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107568","7.798","0.0003","26.3062","0.0014","30.3991","0.0012","90","","90","","90","","6235.9","0.5","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H7 Fe N12 -","- C12 H7 Fe N12 -","- C192 H112 Fe16 N192 -","16","0.5","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.0396","0.0315","","","0.0719","0.0756","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107569","22.604","0.004","22.604","0.004","7.454","0.003","90","","90","","120","","3298.3","1.6","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C12 H7 Fe N12 -","- C12 H6.99 Fe N12 -","- C72 H41.94 Fe6 N72 -","6","0.166667","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.043","0.0399","","","0.1145","0.1165","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107570","22.4652","0.0008","22.4652","0.0008","7.3495","0.0003","90","","90","","120","","3212.2","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H7 Fe N12 -","- C12 H6.99 Fe N12 -","- C72 H41.94 Fe6 N72 -","6","0.333333","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.0525","0.0435","","","0.1099","0.1157","","","","","","1.11","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107571","7.2772","0.0007","25.796","0.003","12.2464","0.0012","90","","90","","90","","2298.9","0.4","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C12 H7 Fe N12 -","- C12 H7 Fe N12 -","- C48 H28 Fe4 N48 -","4","0.25","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.0637","0.058","","","0.147","0.1499","","","","","","1.163","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107572","7.2589","0.0005","25.762","0.0016","12.2049","0.0009","90","","90","","90","","2282.4","0.3","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C12 H7 Fe N12 -","- C12 H7 Fe N12 -","- C48 H28 Fe4 N48 -","4","0.25","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.0739","0.0535","","","0.1345","0.1413","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107573","20.0376","0.0018","20.874","0.0019","20.9807","0.0019","90","","90","","90","","8775.5","1.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H53 Fe4 Mn3 N4 O54.5 Sb6 -","- C49 H12 Fe4 Mn3 N4 O54.5 Sb6 -","- C196 H48 Fe16 Mn12 N16 O218 Sb24 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","A homochiral diamond framework constructed from Fe(III) and Mn(II) oxo-clusters supported by Sb(III) tartrate scaffolds","Chem.Commun.","2012","48","","3990","","10.1039/c2cc18174f","","","0.71073","MoKα","","0.0438","0.039","","","0.1131","0.1159","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107574","7.7053","0.0012","18.113","0.003","10.6268","0.0017","90","","95.382","0.005","90","","1476.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Bidyut Kumar Dinda; Amit Kumar Jana; Dipakranjan Mal","Anionic [4+3] heteroannulation of 2-azidoacrylates: A direct synthesis of 2-benzazepin-1-ones","Chem.Commun.","2012","48","","3999","","10.1039/c2cc30279a","","","0.71073","MoKα","","0.0665","0.0543","","","0.1531","0.1636","","","","","","1.073","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107575","13.3925","0.0014","10.8664","0.0012","22.61","0.002","90","","90","","90","","3290.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Cl N O4 -","- C18 H14 Cl N O4 -","- C144 H112 Cl8 N8 O32 -","8","1","","Bidyut Kumar Dinda; Amit Kumar Jana; Dipakranjan Mal","Anionic [4+3] heteroannulation of 2-azidoacrylates: A direct synthesis of 2-benzazepin-1-ones","Chem.Commun.","2012","48","","3999","","10.1039/c2cc30279a","","","0.71073","MoKα","","0.1243","0.0508","","","0.1035","0.1425","","","","","","0.901","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107576","9.2752","0.0012","7.8865","0.001","15.6249","0.0019","90","","92.965","0.004","90","","1141.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O4 -","- C13 H11 N O4 -","- C52 H44 N4 O16 -","4","1","","Bidyut Kumar Dinda; Amit Kumar Jana; Dipakranjan Mal","Anionic [4+3] heteroannulation of 2-azidoacrylates: A direct synthesis of 2-benzazepin-1-ones","Chem.Commun.","2012","48","","3999","","10.1039/c2cc30279a","","","0.71073","MoKα","","0.0591","0.0427","","","0.1072","0.119","","","","","","1.038","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107577","8.3595","0.0004","9.8309","0.0004","16.4231","0.0007","104.22","0.002","96.024","0.002","91.87","0.001","1298.7","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 Mo2 O6 -","- C28 H30 Mo2 O6 -","- C56 H60 Mo4 O12 -","2","1","","Mario Carrasco; Michelle Faust; Riccardo Peloso; Amor Rodriguez; J.Lopez-Serrano; Eleuterio Alvarez; Celia Maya; Philip P. Power; Ernesto Carmona","Four-Coordinate Quadruply Bonded Dimolybdenum Complexes with Carboxylate and Terphenyl Ligands","Chem.Commun.","2012","48","","3954","3956","10.1039/c2cc30394a","","","0.71073","MoKα","","0.0226","0.0195","","","0.0504","0.0519","","","","","","1.026","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107578","8.3268","0.0004","20.3348","0.0009","11.127","0.0004","90","","98.516","0.002","90","","1863.29","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Mo2 O4 -","- C46 H44 Mo2 O4 -","- C92 H88 Mo4 O8 -","2","0.5","","Mario Carrasco; Michelle Faust; Riccardo Peloso; Amor Rodriguez; J.Lopez-Serrano; Eleuterio Alvarez; Celia Maya; Philip P. Power; Ernesto Carmona","Four-Coordinate Quadruply Bonded Dimolybdenum Complexes with Carboxylate and Terphenyl Ligands","Chem.Commun.","2012","48","","3954","3956","10.1039/c2cc30394a","","","0.71073","MoKα","","0.0703","0.0437","","","0.0972","0.1281","","","","","","1.012","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107579","7.609","0.003","9.954","0.004","13.193","0.005","96.213","0.005","97.796","0.005","106.563","0.006","937.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Zhiyuan Chen; Liang Gao; Shengqing Ye; Qiuping Ding; Jie Wu","Silver triflate-copper(II) acetate cooperative catalysis in a cascade reaction for concise synthesis of 2-carbonyl H-pyrazolo[5,1-a]isoquinolines","Chem.Commun.","2012","48","","3975","","10.1039/c2cc30413a","","","0.71073","MoKα","","0.0794","0.0564","","","0.143","0.1574","","","","","","0.929","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107580","27.0767","0.001","27.0767","","24.9978","0.001","90","","90","","90","","18327.1","1","150","2","150","2","","","","","","","synthesis as described","8","P 4/n :2","-P 4a","85","","","","- C87 H63 Dy F18 N2 O6 P4 Ru -","- C87 H63 Dy F18 N2 O6 P4 Ru -","- C696 H504 Dy8 F144 N16 O48 P32 Ru8 -","8","1","","Lucie Norel; Kevin Bernot; Min Feng; Thierry Roisnel; Andrea Caneschi; Roberta Sessoli; Stephane Rigaut","A carbon-rich ruthenium decorated dysprosium single molecule magne","Chem.Commun.","2012","48","","3948","","10.1039/c2cc30604b","","x-ray","0.71073","MoKα","","0.1161","0.0591","","","0.1527","0.1714","","","","","","1.03","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107581","15.9922","0.0012","15.9922","0.0012","12.4393","0.0019","90","","90","","90","","3181.4","0.6","180","3","180","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C34 H42 N4 O2 -","- C34 H42 N4 O2 -","- C136 H168 N16 O8 -","4","0.5","","Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis DfSouza; Yonshu Xie; Satyajit Sahu; Noelia M. Sanchez-Ballester; Gary J. Richards; Toshiyuki Mori; Katsuhiko Ariga","Antioxidant-substituted Tetrapyrazinoporphyrinazine as a Turn-on Fluorescent Sensor for Basic Anions","Chem.Commun.","2012","48","","3951","","10.1039/c2cc30712j","","","0.71073","MoKα","","0.0533","0.0491","","","0.1294","0.136","","","","","","1.527","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107582","10.639","0.005","6.969","0.003","13.26","0.006","90","","109.394","0.007","90","","927.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 Cl N4 O -","- C20 H22 Cl N4 O -","- C40 H44 Cl2 N8 O2 -","2","0.5","","Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis DfSouza; Yonshu Xie; Satyajit Sahu; Noelia M. Sanchez-Ballester; Gary J. Richards; Toshiyuki Mori; Katsuhiko Ariga","Antioxidant-substituted Tetrapyrazinoporphyrinazine as a Turn-on Fluorescent Sensor for Basic Anions","Chem.Commun.","2012","48","","3951","","10.1039/c2cc30712j","","","0.71073","MoKα","","0.0677","0.0499","","","0.1193","0.129","","","","","","1.027","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107583","9.0165","0.0007","9.2153","0.0007","16.4934","0.0012","87.978","0.002","83.172","0.002","72.281","0.002","1296.16","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N O8 -","- C28 H31 N O8 -","- C56 H62 N2 O16 -","2","1","","Xiuzhao Yu; Guanghua Zhou; Junliang Zhang","DBU-catalyzed tandem additions of electron-deficient 1,3-conjugated enynes with 2-aminomalonates: a facile access to highly substituted 2-pyrrolines","Chemical Communications","2012","48","33","4002","4004","10.1039/c2cc30840a","","","0.71073","MoKα","","0.0772","0.0528","","","0.1388","0.1675","","","","","","1.066","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107584","12.6998","0.0016","7.4627","0.001","12.8404","0.0016","90","","114.132","0.002","90","","1110.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 N2 S2 -","- C13 H7 N2 S2 -","- C52 H28 N8 S8 -","4","1","","Yinque Liu; Fan Zhang; Chunyang He; Dongqing Wu; Xiaodong Zhuang; Minzhao Xue; Xinliang Feng","Efficient synthesis and physical properties of novel H-shaped 2,3,7,8-tetraazaanthracene-based conjugated molecules","Chem.Commun.","2012","48","","4166","","10.1039/c2cc00015f","","","0.71073","MoKα","","0.1361","0.0773","","","0.2114","0.2456","","","","","","0.945","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107585","6.3583","0.0003","41.42","0.002","8.9592","0.0005","90","","104.922","0.002","90","","2279.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 N4 S4 -","- C50 H62 N4 S4 -","- C100 H124 N8 S8 -","2","0.5","","Yinque Liu; Fan Zhang; Chunyang He; Dongqing Wu; Xiaodong Zhuang; Minzhao Xue; Xinliang Feng","Efficient synthesis and physical properties of novel H-shaped 2,3,7,8-tetraazaanthracene-based conjugated molecules","Chem.Commun.","2012","48","","4166","","10.1039/c2cc00015f","","","0.71073","MoKα","","0.089","0.0794","","","0.1683","0.1734","","","","","","1.154","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107586","18.0652","0.0012","20.5741","0.0009","19.1857","0.0017","90","","114.391","0.009","90","","6494.4","0.9","202.2","","202.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H86 N12 O7 Zn3 -","- C66 H86 N12 O7 Zn3 -","- C264 H344 N48 O28 Zn12 -","4","1","","Rakesh K. Mishra; Kaushal Kumar Upadhyay; Sachin Shukla; R. Mishra","A zinc(II) directed triple-stranded helicate incorporating a nine membered metallamacrocycle: supramolecular cylinders mimicking P1 nuclease","Chem.Commun.","2012","48","","4238","","10.1039/c2cc00094f","","","0.7107","MoKα","","0.0925","0.051","","","0.0936","0.1133","","","","","","1.02","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107587","12.0103","0.0009","6.5415","0.0004","13.3553","0.0009","90","","95.91","0.007","90","","1043.69","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","0.5","","Rakesh K. Mishra; Kaushal Kumar Upadhyay; Sachin Shukla; R. Mishra","A zinc(II) directed triple-stranded helicate incorporating a nine membered metallamacrocycle: supramolecular cylinders mimicking P1 nuclease","Chem.Commun.","2012","48","","4238","","10.1039/c2cc00094f","","x-ray","0.7107","MoKα","","0.107","0.0659","","","0.1532","0.1827","","","","","","1.035","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107588","19.867","0.003","9.9419","0.0013","13.4309","0.0017","90","","127.844","0.002","90","","2094.9","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 B2 N2 O4 -","- C23 H20 B2 N2 O4 -","- C92 H80 B8 N8 O16 -","4","0.5","","Jorge Cruz-Huerta; Domingo Salazar-Mendoza; Javier Hernandez-Paredes; Iran F. Hernandez Ahuactzi; Herbert Hopfl","N-containing boronic esters as self-complementary building blocks for the assembly of 2D and 3D molecular networks","Chem.Commun.","2012","48","","4241","","10.1039/c2cc00144f","","","0.71073","MoKα","","0.1215","0.1044","","","0.2014","0.2105","","","","","","1.202","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107589","19.946","0.003","9.9565","0.0015","13.585","0.002","90","","127.486","0.002","90","","2140.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 B2 N2 O5 -","- C25 H26 B2 N2 O5 -","- C100 H104 B8 N8 O20 -","4","0.5","","Jorge Cruz-Huerta; Domingo Salazar-Mendoza; Javier Hernandez-Paredes; Iran F. Hernandez Ahuactzi; Herbert Hopfl","N-containing boronic esters as self-complementary building blocks for the assembly of 2D and 3D molecular networks","Chem.Commun.","2012","48","","4241","","10.1039/c2cc00144f","","","0.71073","MoKα","","0.0741","0.0655","","","0.1611","0.1663","","","","","","1.172","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107590","9.4861","0.0011","9.4861","0.0011","36.031","0.006","90","","90","","90","","3242.3","0.8","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H50 B2 N2 O9 -","- C15 H16 B2 N2 O4 -","- C60 H64 B8 N8 O16 -","4","0.5","","Jorge Cruz-Huerta; Domingo Salazar-Mendoza; Javier Hernandez-Paredes; Iran F. Hernandez Ahuactzi; Herbert Hopfl","N-containing boronic esters as self-complementary building blocks for the assembly of 2D and 3D molecular networks","Chem.Commun.","2012","48","","4241","","10.1039/c2cc00144f","","","0.71073","MoKα","","0.0907","0.0722","","","0.1993","0.2083","","","","","","1.07","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107591","22.391","0.005","14.404","0.005","22.72","0.005","90","0.005","110.108","0.005","90","0.005","6881","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl2 N4 O12 Zn -","- C31 H34 Cl2 N4 O12 Zn -","- C248 H272 Cl16 N32 O96 Zn8 -","8","2","","Xiangming Meng; Shuxing Wang; Yiming Li; Manzhou Zhu; Qingxiang Guo","6-Substituted quinoline-based ratiometric two-photon fluorescent probes for biological Zn2+ detection","Chem.Commun.","2012","48","","4196","","10.1039/c2cc30471f","","","1.54184","CuKα","","0.0528","0.0468","","","0.1409","0.1456","","","","","","1.066","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107592","12.992","0.0005","14.2885","0.0005","20.9414","0.0007","100.626","0.003","106.166","0.003","91.344","0.003","3658.2","0.2","293","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H33 Cl2 N5 O10 Zn -","- C34 H33 Cl2 N5 O10 Zn -","- C136 H132 Cl8 N20 O40 Zn4 -","4","2","","Xiangming Meng; Shuxing Wang; Yiming Li; Manzhou Zhu; Qingxiang Guo","6-Substituted quinoline-based ratiometric two-photon fluorescent probes for biological Zn2+ detection","Chem.Commun.","2012","48","","4196","","10.1039/c2cc30471f","","","1.54184","CuKα","","0.0901","0.075","","","0.1989","0.2141","","","","","","1.078","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107593","11.3072","0.0006","11.3072","0.0006","11.2423","0.0009","90","","90","","120","","1244.79","0.14","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- H2 I6 O19 Pb Pt -","- H2.0001 I6 O19 Pb Pt -","- H6.0003 I18 O57 Pb3 Pt3 -","3","0.333333","","Chuan-Fu Sun; Chun-Li Hu; Jiang-Gao Mao","PbPt(IO3)6(H2O): A New Polar Material with Two Types of Stereoactive Lone-Pairs and a Very Large SHG Response","Chem.Commun.","2012","48","","4220","","10.1039/c2cc30326d","","","0.71073","MoKα","","0.0163","0.0162","","","0.035","0.035","","","","","","0.984","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107594","13.992","0.003","14.142","0.003","38.237","0.008","90.46","0.03","95.22","0.03","96.13","0.03","7490","3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","bisporphyrin","","","- C94.5 H63 Cl3 N8 O -","- C93 H60 N8 O -","- C372 H240 N32 O4 -","4","2","","Xiaoxu Kai; Jiaxun Jiang; Chuanjiang Hu","Facile one-pot synthesis of unprecedented B,B'-linked porphyrin-chlorin heterodimers","Chem.Commun.","2012","48","","4302","","10.1039/c2cc17442a","","","0.71073","MoKα","","0.1331","0.0875","","","0.2013","0.2267","","","","","","1.111","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107595","14.166","0.003","13.222","0.003","19.062","0.004","90","","98.98","0.03","90","","3526.6","1.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H30 N4 O -","- C49 H30 N4 O -","- C196 H120 N16 O4 -","4","1","","Xiaoxu Kai; Jiaxun Jiang; Chuanjiang Hu","Facile one-pot synthesis of unprecedented B,B'-linked porphyrin-chlorin heterodimers","Chem.Commun.","2012","48","","4302","","10.1039/c2cc17442a","","","0.71073","MoKα","","0.0849","0.0666","","","0.1555","0.168","","","","","","1.114","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107596","11.7852","0.0002","29.8186","0.0003","20.3837","0.0002","90","","97.865","0.001","90","","7095.82","0.16","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Fe N2 O4 P3 -","- C33 H51 Fe N2 O4 P3 -","- C264 H408 Fe8 N16 O32 P24 -","8","2","","Kai-Oliver Feldmann; Roland Frohlich; Jan J. Weigand","Access to Catenated and Branched Polyphosphorus Ligands and Coordination Complexes via a Tris(pyrazolyl)phosphane","Chem.Commun.","2012","48","","4296","","10.1039/c2cc18030h","","","0.71073","MoKα","","0.0721","0.054","","","0.104","0.1158","","","","","","1.096","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107597","12.1457","0.0002","34.0412","0.0005","11.457","0.0001","90","","95.005","0.001","90","","4718.88","0.11","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 Fe O5 P4 -","- C44 H74 Fe O5 P4 -","- C176 H296 Fe4 O20 P16 -","4","1","","Kai-Oliver Feldmann; Roland Frohlich; Jan J. Weigand","Access to Catenated and Branched Polyphosphorus Ligands and Coordination Complexes via a Tris(pyrazolyl)phosphane","Chem.Commun.","2012","48","","4296","","10.1039/c2cc18030h","","","0.71073","MoKα","","0.0896","0.0694","","","0.1557","0.1721","","","","","","1.09","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107598","9.832","0.0005","28.1647","0.0016","14.3172","0.0008","90","","102.444","0.001","90","","3871.5","0.4","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H93 Cl4 Ir N4 O2 -","- C90 H93 Cl4 Ir N4 O2 -","- C180 H186 Cl8 Ir2 N8 O4 -","2","1","","Jing-Cui Wang; Zhen-Jiang Xu; Zhen Guo; Qing-Hai Deng; Cong-Ying Zhou; Xiao-Long Wan; Chi-Ming Che","Highly enantioselective intermolecular carbene insertion to C-H and Si-H bonds catalyzed by a chiral iridium(III) complex of a D4-symmetric Halterman porphyrin ligand","Chem.Commun.","2012","48","","4299","","10.1039/c2cc30441d","","","0.71073","MoKα","","0.0589","0.0508","","","0.1186","0.1219","","","","","","1.02","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107599","20.6104","0.0004","28.4361","0.0005","32.8677","0.0006","113.282","0.0008","98.5654","0.0009","95.3241","0.0009","17251.5","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C164 H160 N12 Ni2 -","- C164 H160 N12 Ni2 -","- C656 H640 N48 Ni8 -","4","2","","Shin Ikeda; Naoki Aratani; Atsuhiro Osuka","A doubly 2,6-pyridylene-bridged porphyrin-perylene-porphyrin triad","Chem.Commun.","2012","48","","4317","","10.1039/c2cc30966a","","","1.54187","CuKα","","0.2603","0.0971","","","0.1842","0.2069","","","","","","1.04","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107600","10.294","0.0017","19.025","0.003","16.509","0.003","90","","98.204","0.005","90","","3200.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 F12 N6 O14 P2 Zn -","- C64 H40 F12 N6 O14 P2 Zn -","- C128 H80 F24 N12 O28 P4 Zn2 -","2","0.5","","Gargi Mukherjee; Kumar Biradha","Post-synthetic modification of isomorphic coordination layers: exchange dynamics of metal ions in single crystal to single crystal fashion","Chem.Commun.","2012","48","","4293","","10.1039/c2cc30983a","","","0.71073","MoKα","","0.0887","0.0732","","","0.2221","0.2308","","","","","","1.679","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107601","10.224","0.002","18.934","0.004","16.667","0.004","90","","96.438","0.007","90","","3206.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cu F12 N6 O16 P2 -","- C64 H40 Cu F12 N6 O14 P2 -","- C128 H80 Cu2 F24 N12 O28 P4 -","2","0.5","","Gargi Mukherjee; Kumar Biradha","Post-synthetic modification of isomorphic coordination layers: exchange dynamics of metal ions in single crystal to single crystal fashion","Chem.Commun.","2012","48","","4293","","10.1039/c2cc30983a","","","0.71073","MoKα","","0.1096","0.0835","","","0.2109","0.2229","","","","","","1.407","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107602","10.213","0.003","18.938","0.005","16.619","0.004","90","","96.744","0.009","90","","3192.1","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cu F12 N6 O16 P2 -","- C64 H40 Cu F12 N6 O14 P2 -","- C128 H80 Cu2 F24 N12 O28 P4 -","2","0.5","","Gargi Mukherjee; Kumar Biradha","Post-synthetic modification of isomorphic coordination layers: exchange dynamics of metal ions in single crystal to single crystal fashion","Chem.Commun.","2012","48","","4293","","10.1039/c2cc30983a","","","0.71073","MoKα","","0.1858","0.1113","","","0.2564","0.2936","","","","","","1.019","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107603","10.484","0.003","19.181","0.005","16.381","0.004","90","","99.553","0.008","90","","3248.4","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cd F12 N6 O16 P2 -","- C64 H40 Cd F12 N6 O14 P2 -","- C128 H80 Cd2 F24 N12 O28 P4 -","2","0.5","","Gargi Mukherjee; Kumar Biradha","Post-synthetic modification of isomorphic coordination layers: exchange dynamics of metal ions in single crystal to single crystal fashion","Chem.Commun.","2012","48","","4293","","10.1039/c2cc30983a","","","0.71073","MoKα","","0.1635","0.0759","","","0.1824","0.237","","","","","","0.851","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107604","23.5849","0.0006","11.4526","0.0003","26.7997","0.0008","90","","93.476","0.002","90","","7225.5","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41.75 H47.5 O8 -","- C41.75 H47.5 O8 -","- C334 H380 O64 -","8","4","","Gang Xu; Xing-Wei Yang; Chun-Yan Wu; Xiao-Nian Li; Jia Su; Xu Deng; Yan Li; Hong-Bo Qin; Li-Xin Yang; Qin-Shi Zhao","Przewalskone: a cytotoxic adduct of a danshenol type terpenoid and an icetexane diterpenoid via hetero-Diels-Alder reaction from Salvia przewalskii","Chem.Commun.","2012","48","","4438","","10.1039/c2cc30405h","","","1.54178","CuKα","","0.1051","0.0852","","","0.2219","0.2367","","","","","","1.019","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107605","26.2","0.005","16.905","0.003","19.395","0.004","90","","117.36","0.03","90","","7629","3","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 B2 Cu8 N23 O4 S6 W2 -","- C52 H56 B2 Cu8 N23 O4 S6 W2 -","- C208 H224 B8 Cu32 N92 O16 S24 W8 -","4","0.5","","Xi Chen; Hong-Xi Li; Zhi-Yuan Zhang; Wei Zhao; Jian-Ping Lang; Brendan F. Abrahams","Activation and amplification of the third-order NLO and luminescent responses of a precursor cluster by a supramolecular approach","Chem.Commun.","2012","48","","4480","","10.1039/c2cc30581j","","","0.71073","MoKα","","0.0907","0.0728","","","0.1928","0.2058","","","","","","1.198","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107606","15.165","0.003","26.907","0.005","23.715","0.005","90","","106.91","0.03","90","","9258","4","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C65 H84 B2 Cu10 K N28 O6 S6 W2 -","- C65 H84 B2 Cu10 K N28 O6 S6 W2 -","- C260 H336 B8 Cu40 K4 N112 O24 S24 W8 -","4","0.5","","Xi Chen; Hong-Xi Li; Zhi-Yuan Zhang; Wei Zhao; Jian-Ping Lang; Brendan F. Abrahams","Activation and amplification of the third-order NLO and luminescent responses of a precursor cluster by a supramolecular approach","Chem.Commun.","2012","48","","4480","","10.1039/c2cc30581j","","","0.71073","MoKα","","0.0881","0.0705","","","0.1848","0.1987","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107607","38.315","0.004","14.4214","0.0014","22.307","0.002","90","","104.009","0.001","90","","11959","2","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C106 H120 Cl4 F12 Ir4 N12 O14 S4 -","- C106 H120 Cl4 F12 Ir4 N12 O14 S4 -","- C424 H480 Cl16 F48 Ir16 N48 O56 S16 -","4","0.5","","Tong Wu; Lin-Hong Weng; Guo-Xin Jin","Sunlight induced cycloaddition and host-guest property of self-assembled organometallic macrocycles based on a versatile building block","Chem.Commun.","2012","48","","4435","","10.1039/c2cc30630a","","","0.71073","MoKα","","0.1025","0.0605","","","0.1572","0.174","","","","","","1.044","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107608","13.0767","0.0009","23.932","0.0017","18.5594","0.0014","90","","98.013","0.001","90","","5751.5","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H112 F12 Ir4 N12 O16 S4 -","- C100 H96 F12 Ir4 N12 O16 S4 -","- C200 H192 F24 Ir8 N24 O32 S8 -","2","0.5","","Tong Wu; Lin-Hong Weng; Guo-Xin Jin","Sunlight induced cycloaddition and host-guest property of self-assembled organometallic macrocycles based on a versatile building block","Chem.Commun.","2012","48","","4435","","10.1039/c2cc30630a","","","0.71073","MoKα","","0.0533","0.0395","","","0.1121","0.1192","","","","","","1.087","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107609","30.302","0.003","30.302","0.003","41.215","0.004","90","","90","","120","","32774","6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C186 H180 F18 Ir6 N24 O24 S6 -","- C186 H156 F18 Ir6 N24 O24 S6 -","- C1116 H936 F108 Ir36 N144 O144 S36 -","6","0.333333","","Tong Wu; Lin-Hong Weng; Guo-Xin Jin","Sunlight induced cycloaddition and host-guest property of self-assembled organometallic macrocycles based on a versatile building block","Chem.Commun.","2012","48","","4435","","10.1039/c2cc30630a","","","0.71073","MoKα","","0.1007","0.0643","","","0.1708","0.1938","","","","","","0.99","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107610","20.861","0.003","33.223","0.005","28.731","0.004","90","","107.195","0.002","90","","19022","5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C146 H154 F18 Ir6 N24 O24 S6 -","- C140 H138 Ir6 N24 O6 -","- C560 H552 Ir24 N96 O24 -","4","1","","Tong Wu; Lin-Hong Weng; Guo-Xin Jin","Sunlight induced cycloaddition and host-guest property of self-assembled organometallic macrocycles based on a versatile building block","Chem.Commun.","2012","48","","4435","","10.1039/c2cc30630a","","","0.71073","MoKα","","0.1535","0.0936","","","0.251","0.284","","","","","","0.974","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107611","9.822","0.003","12.203","0.004","12.763","0.004","86.613","0.004","76.168","0.004","84.075","0.004","1476.5","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Hong Hou; Yuan Zhang; Chao-Guo Yan","One-pot synthesis of 4-substituted isoquinolinium zwitterionic salts by metal-free C-H bond activation","Chem.Commun.","2012","48","","4492","","10.1039/c2cc30708a","","","0.71073","MoKα","","0.2677","0.1439","","","0.4045","0.471","","","","","","1.282","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107612","10.242","0.003","13.946","0.004","15.39","0.005","114.24","0.004","95.139","0.004","103.687","0.004","1903.8","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","8,9,13,14,22,23,27,28-octaethyl-29,30, 31,32,33,34-hexaaza- heptacyclo (24,2,1,12,6,17,10,112,15,116,20,121,24) tetratriaconta- 1(28),2(34),3,5,7(33), 8,10,12,14,16(31),17,19,21(30),22,24, 26- hexadecaene","8,9,13,14,22,23,27,28-octaethyl-29,30, 31,32,33,34-hexaaza-heptacyclo (24,2,1,12,6,17,10,112,15,116,20,121,24) tetratriaconta-1(28),2(34),3,5,7(33), 8,10,12,14,16(31),17,19,21(30),22,24, 26-hexadecaene","","- C44 H52 N6 O -","- C44 H52 N6 O -","- C88 H104 N12 O2 -","2","1","","Jun-ichiro Setsune; Kyohei Yamato","Highly reactive meso-like positions of dipyrihexaphyrin","Chem.Commun.","2012","48","","4447","","10.1039/c2cc30981e","","","0.71073","MoKα","","0.0951","0.053","","","0.1385","0.1718","","","","","","0.865","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107613","13.435","0.003","18.486","0.003","16.141","0.003","90","","108.757","0.002","90","","3795.9","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8,9,13,14,22,23,27,28-octaethyl-4,18,29,30,32,33-hexaaza- heptacyclo (24,2,1,12,6,17,10,112,15,116,20,121,24)tetratriaconta- 1(28),2(34), 3,5,7(33),8,10,12,14,16(31),17,19,21(30),22,24,26- hexadecaene","8,9,13,14,22,23,27,28-octaethyl-4,18,29,30,32,33-hexaaza-heptacyclo (24,2,1,12,6,17,10,112,15,116,20,121,24)tetratriaconta-1(28),2(34), 3,5,7(33),8,10,12,14,16(31),17,19,21(30),22,24,26-hexadecaene","","- C44 H50 N6 -","- C44 H50 N6 -","- C176 H200 N24 -","4","1","","Jun-ichiro Setsune; Kyohei Yamato","Highly reactive meso-like positions of dipyrihexaphyrin","Chem.Commun.","2012","48","","4447","","10.1039/c2cc30981e","","","0.71073","MoKα","","0.0653","0.0442","","","0.1253","0.1464","","","","","","0.869","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107614","10.338","0.002","16.272","0.003","24.88","0.005","90","","97.34","0.003","90","","4151","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8,9,13,14,22,23,27,28-octaethyl-11-methoxy-29,30,31,32,33,34- hexaaza-heptacyclo(24,2,1,12,6,17,10,112,15,116,20,121,24) tetratriaconta-1(28),2(34),3,5,7,9,12,14,16(31),17,19,21(30), 22,24,26- pentadecaene","8,9,13,14,22,23,27,28-octaethyl-11-methoxy-29,30,31,32,33,34- hexaaza-heptacyclo(24,2,1,12,6,17,10,112,15,116,20,121,24) tetratriaconta-1(28),2(34),3,5,7,9,12,14,16(31),17,19,21(30), 22,24,26-pentadecaene","","- C46 H58 N6 O2 -","- C46 H58 N6 O2 -","- C184 H232 N24 O8 -","4","1","","Jun-ichiro Setsune; Kyohei Yamato","Highly reactive meso-like positions of dipyrihexaphyrin","Chem.Commun.","2012","48","","4447","","10.1039/c2cc30981e","","","0.71073","MoKα","","0.0856","0.0528","","","0.1532","0.1756","","","","","","1.064","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107615","11.025","0.003","14.059","0.004","15.43","0.004","71.589","0.004","86.948","0.004","77.737","0.004","2217.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","8,9,13,14,22,23,27,28-octaethyl-11-cyano-29,30,31,32,33, 34- hexaaza-heptacyclo(24,2,1,12,6,17,10,112,15,116,20,121,24) tetratriaconta-1(28),2(34),3,5,7,9,12,14,16(31),17,19,21(30), 22,24,26- pentadecaene","8,9,13,14,22,23,27,28-octaethyl-11-cyano-29,30,31,32,33, 34-hexaaza-heptacyclo(24,2,1,12,6,17,10,112,15,116,20,121,24) tetratriaconta-1(28),2(34),3,5,7,9,12,14,16(31),17,19,21(30), 22,24,26-pentadecaene","","- C47 H57 Cl2 N7 O -","- C47 H57 Cl2 N7 O -","- C94 H114 Cl4 N14 O2 -","2","1","","Jun-ichiro Setsune; Kyohei Yamato","Highly reactive meso-like positions of dipyrihexaphyrin","Chem.Commun.","2012","48","","4447","","10.1039/c2cc30981e","","","0.71073","MoKα","","0.128","0.0604","","","0.1524","0.195","","","","","","0.856","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107616","17.11","0.004","10.863","0.002","22.611","0.005","90","","105.459","0.003","90","","4050.6","1.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8,9,13,14,22,23,27,28-octaethyl-11,25-dicyano-29,30,31,32,33, 34-hexaaza-heptacyclo(24,2,1,12,6,17,10,112,15,116,20,121,24) tetratriaconta-1(28),2(34),3,5,7(33),8,10,12,14,16(31),17,19, 21(30),22,24,26-hexadecaene","8,9,13,14,22,23,27,28-octaethyl-11,25-dicyano-29,30,31,32,33, 34-hexaaza-heptacyclo(24,2,1,12,6,17,10,112,15,116,20,121,24) tetratriaconta-1(28),2(34),3,5,7(33),8,10,12,14,16(31),17,19, 21(30),22,24,26-hexadecaene","","- C46 H48 N8 -","- C46 H48 N8 -","- C184 H192 N32 -","4","1","","Jun-ichiro Setsune; Kyohei Yamato","Highly reactive meso-like positions of dipyrihexaphyrin","Chem.Commun.","2012","48","","4447","","10.1039/c2cc30981e","","","0.71073","MoKα","","0.0675","0.0457","","","0.1308","0.1506","","","","","","0.93","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107617","7.452","0.002","10.774","0.003","15.446","0.004","104.525","0.005","90.905","0.005","100.77","0.006","1176.8","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Co4 N20 O10 -","- C42 H36 Co4 N20 O10 -","- C42 H36 Co4 N20 O10 -","1","0.5","","Wei-Quan Lin; Ji-Dong Leng; Ming-Liang Tong","A novel nanosized {Co16} metallamacrocycle incorporating four linear {Co4} subunits bridged by polytriazolate ligands","Chem.Commun.","2012","48","37","4477","4479","10.1039/c2cc31141k","","","0.71073","MoKα","","0.2025","0.0544","","","0.1127","0.1788","","","","","","0.952","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107618","38.769","0.005","25.3","0.003","29.931","0.004","90","","94.949","0.002","90","","29249","6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H202 Co16 N76 O39 -","- C208 H158 Co16 N78 O14 -","- C832 H632 Co64 N312 O56 -","4","0.5","","Wei-Quan Lin; Ji-Dong Leng; Ming-Liang Tong","A novel nanosized {Co16} metallamacrocycle incorporating four linear {Co4} subunits bridged by polytriazolate ligands","Chem.Commun.","2012","48","37","4477","4479","10.1039/c2cc31141k","","","0.71073","MoKα","","0.1445","0.0706","","","0.1674","0.1882","","","","","","0.774","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107619","17.7717","0.0007","22.2755","0.0008","27.8431","0.0019","110.343","0.008","95.225","0.007","106.955","0.008","9655.4","1.2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H104 Cl2 Dy4 N24 O29 -","- C60 H62 Cl2 Dy4 N24 O8 -","- C240 H248 Cl8 Dy16 N96 O32 -","4","2","","Muhammad Usman Anwar; Laurence Kenneth Thompson; Louise Nicole Dawe; Fatemah Habib; Muralee Murugesu","Predictable self-assembled [2 ? 2] Ln(III)4 square grids (Ln = Dy,Tb)-SMM behaviour in a new lanthanide cluster motif","Chem.Commun.","2012","48","","4576","","10.1039/c2cc17546k","","","0.71075","MoKα","","0.0663","0.0492","","","0.136","0.1438","","","","","","1.114","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107620","19.806","0.009","20.037","0.009","27.326","0.015","84.31","0.03","86.78","0.02","71.967","0.018","10257","9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H108 Dy4 N36 O30 -","- C60 H58 Dy4 N36 O5 -","- C240 H232 Dy16 N144 O20 -","4","2","","Muhammad Usman Anwar; Laurence Kenneth Thompson; Louise Nicole Dawe; Fatemah Habib; Muralee Murugesu","Predictable self-assembled [2 ? 2] Ln(III)4 square grids (Ln = Dy,Tb)-SMM behaviour in a new lanthanide cluster motif","Chem.Commun.","2012","48","","4576","","10.1039/c2cc17546k","","","0.71075","MoKα","","0.1357","0.1146","","","0.3069","0.3419","","","","","","1.066","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107621","17.275","0.003","20.969","0.004","26.506","0.005","90","","128.219","0.003","90","","7543","2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 N38 O10 Tb4 -","- C62 H62 N38 O10 Tb4 -","- C248 H248 N152 O40 Tb16 -","4","1","","Muhammad Usman Anwar; Laurence Kenneth Thompson; Louise Nicole Dawe; Fatemah Habib; Muralee Murugesu","Predictable self-assembled [2 ? 2] Ln(III)4 square grids (Ln = Dy,Tb)-SMM behaviour in a new lanthanide cluster motif","Chem.Commun.","2012","48","","4576","","10.1039/c2cc17546k","","","0.71075","MoKα","","0.0666","0.0635","","","0.1815","0.1859","","","","","","1.095","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107622","19.2649","0.0002","20.4622","0.0003","26.949","0.0004","90","","90","","90","","10623.4","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H75 B Mg N2 O4 -","- C61 H75 B Mg N2 O4 -","- C488 H600 B8 Mg8 N16 O32 -","8","1","","Merle Arrowsmith; Terrance J. Hadlington; Michael S. Hill; Gabriele Kociok-Kohn","Magnesium-catalysed hydroboration of aldehydes and ketones","Chem.Commun.","2012","48","","4567","","10.1039/c2cc30565h","","","0.71073","MoKα","","0.0893","0.0543","","","0.1281","0.1465","","","","","","1.08","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107623","8.2719","0.0002","9.9302","0.0002","15.8441","0.0003","90","","102.83","0.001","90","","1268.97","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 B2 O6 -","- C26 H36 B2 O6 -","- C52 H72 B4 O12 -","2","0.5","","Merle Arrowsmith; Terrance J. Hadlington; Michael S. Hill; Gabriele Kociok-Kohn","Magnesium-catalysed hydroboration of aldehydes and ketones","Chem.Commun.","2012","48","","4567","","10.1039/c2cc30565h","","","0.71073","MoKα","","0.052","0.0469","","","0.119","0.1233","","","","","","1.07","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107624","15.288","0.002","5.8962","0.0005","16.276","0.002","90","","94.042","0.011","90","","1463.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 B N O Si -","- C15 H18 B N O Si -","- C60 H72 B4 N4 O4 Si4 -","4","1","","Sunanda Biswas; Cacilia Maichle-Mossmer; Holger F. Bettinger","Rearrangement from the heteroantiaromatic borole to the heteroaromatic azaborine motif","Chem.Commun.","2012","48","","4564","","10.1039/c2cc30914a","","","0.71073","MoKα","","0.0751","0.0597","","","0.1169","0.1231","","","","","","1.233","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107625","16.0905","0.0014","10.5629","0.0009","13.9165","0.0012","90","","106.691","0.002","90","","2265.6","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","8(5-(quinolin-2-yl)thiophene)-4,4-difluoro-1,3,5,7- tetramethyl-4-bora-3a,4a-diaz","8[5-(quinolin-2-yl)thiophene]-4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene","","- C26 H22 B F2 N3 S -","- C26 H22 B F2 N3 S -","- C104 H88 B4 F8 N12 S4 -","4","1","","Xingyu Qu; Xiaoning Ji; Huachao Chen; Zhen Shen","Specific Fe (III)-induced turn off through-bond energy transfer and its application in live cell imaging","Chem.Commun.","2012","48","","4600","","10.1039/c2cc31011b","","","0.71073","MoKα","","0.0525","0.0403","","","0.1036","0.1114","","","","","","1.044","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107626","14.76","0.001","12.202","0.001","17.706","0.002","90","","112.04","0.02","90","","2955.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H50 N2 Si4 -","- C25 H50 N2 Si4 -","- C100 H200 N8 Si16 -","4","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","A d?but for base stabilized monoalkylsilylenes","Chem.Commun.","2012","48","","4561","","10.1039/c2cc31041d","","","0.71073","MoKα","","0.0325","0.0278","","","0.0715","0.074","","","","","","1.046","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107627","9.878","0.003","10.371","0.004","11.472","0.005","110.48","0.01","94.95","0.02","116.21","0.02","946.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H64 N4 O2 Si2 -","- C38 H64 N4 O2 Si2 -","- C38 H64 N4 O2 Si2 -","1","0.5","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","A d?but for base stabilized monoalkylsilylenes","Chem.Commun.","2012","48","","4561","","10.1039/c2cc31041d","","","0.71073","MoKα","","0.0339","0.0327","","","0.0909","0.0918","","","","","","1.06","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107628","9.3665","0.001","9.6913","0.0011","18.1622","0.0018","90","","90.203","0.005","90","","1648.6","0.3","296","2","296","2","","","","","","","Synthesised","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H36 Cu N9 O7 -","- C26 H36 Cu N9 O7 -","- C52 H72 Cu2 N18 O14 -","2","0.5","","Apurba Kalita; Pankaj Kumar; Biplab Mondal","Reaction of a copper(II)-nitrosyl complex with hydrogen peroxide: putative formation of a copper(I)-peroxynitrite intermediate","Chem.Commun.","2012","48","","4636","","10.1039/c2cc31117h","","x-ray","0.71073","MoKα","","0.0838","0.0664","","","0.2162","0.2274","","","","","","1.071","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107629","19.5792","0.0016","9.3484","0.0008","18.7219","0.0016","90","","102.51","0.005","90","","3345.4","0.5","293","2","293","2","","","","","","","Synthesised","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl Cu N9 O7 -","- C26 H36 Cl Cu N9 O7 -","- C104 H144 Cl4 Cu4 N36 O28 -","4","1","","Apurba Kalita; Pankaj Kumar; Biplab Mondal","Reaction of a copper(II)-nitrosyl complex with hydrogen peroxide: putative formation of a copper(I)-peroxynitrite intermediate","Chem.Commun.","2012","48","","4636","","10.1039/c2cc31117h","","x-ray","0.71073","MoKα","","0.1588","0.0814","","","0.2414","0.2901","","","","","","1.034","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107630","5.3417","0.0012","9.098","0.002","32.164","0.007","90","","90","","90","","1563.1","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O -","- C19 H15 Br O -","- C76 H60 Br4 O4 -","4","1","","Yanqing Zhang; Junliang Zhang","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones by gold(I)-catalyzed asymmetric [4+3]cycloaddition with nitrones: scope, mechanism and applications","Chem.Commun.","2012","48","","4710","","10.1039/c2cc30309d","","","0.71073","MoKα","","0.0706","0.0382","","","0.066","0.0751","","","","","","1.021","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107631","11.2262","0.001","11.3662","0.0009","13.7161","0.0012","83.989","0.007","79.243","0.008","62.826","0.002","1529.2","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H50 Al I Li N O2 -","- C28 H50 Al I Li N O2 -","- C56 H100 Al2 I2 Li2 N2 O4 -","2","1","","Ben Conway; Elaine Crosbie; Alan Kennedy; Robert E. Mulvey; Stuart Robertson","Regioselective heterohalogenation of 4-halo-anisoles via a series of sequential ortho-aluminations and electrophilic halogenations","Chem.Commun.","2012","48","","4674","","10.1039/c2cc30795b","","","0.71073","MoKα","","0.0316","0.026","","","0.0637","0.065","","","","","","1.02","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107632","11.9465","0.0004","14.3366","0.0006","19.2013","0.0006","98.48","0.003","101.603","0.003","96.384","0.003","3152.4","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H49 Al Br I Li N O2 -","- C28 H49 Al Br I Li N O2 -","- C112 H196 Al4 Br4 I4 Li4 N4 O8 -","4","2","","Ben Conway; Elaine Crosbie; Alan Kennedy; Robert E. Mulvey; Stuart Robertson","Regioselective heterohalogenation of 4-halo-anisoles via a series of sequential ortho-aluminations and electrophilic halogenations","Chem.Commun.","2012","48","","4674","","10.1039/c2cc30795b","","","0.71073","MoKα","","0.049","0.0341","","","0.0781","0.0845","","","","","","1.037","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107633","5.3494","0.0011","10.901","0.002","11.123","0.002","73.698","0.013","82.129","0.015","81.024","0.015","611.9","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H22 F N O2 S2 -","- C28 H22 F N O2 S2 -","- C28 H22 F N O2 S2 -","1","1","","Zhi-Cong Geng; Ning Li; Jian Chen; Xiao-Fei Huang; Bin Wu; Guo-Gui Liu; Xing-Wang Wang","Enantioselective synthesis of optically active cis-B-thio-a-amino acid derivatives through an organocatalytic cascade thio-Michael/ring opening proces","Chem.Commun.","2012","48","","4713","","10.1039/c2cc30799e","","","0.7107","MoKα","","0.0666","0.0551","","","0.13","0.1424","","","","","","1.039","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107634","7.191","0.0004","7.191","0.0004","6.802","0.0004","90","","90","","90","","351.73","0.03","120","1","120","1","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C8.5 H6 Fe N7 Pt S0.5 -","- C8.52 Fe N7 Pt S0.52 -","- C8.52 Fe N7 Pt S0.52 -","1","0.0625","","Francisco J. Munoz Lara; Ana B. Gaspar; Daniel Aravena; Eliseo Ruiz; M. Carmen Munoz; Masaaki Ohba; Ryo Ohtani; Susumu Kitagawa; Jose A. Real","Enhanced bistability by guest inclusion in Fe(II) spin crossover porous coordination polymers","Chem.Commun.","2012","48","","4686","","10.1039/c2cc31048a","","","0.71073","MoKα","","0.0262","0.026","","","0.062","0.0621","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107635","7.207","0.0012","7.207","0.0012","6.798","0.003","90","","90","","90","","353.09","0.18","120","1","120","1","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C8.5 H6 Fe N7 Pd S0.5 -","- C8.52 Fe N7 Pd S0.52 -","- C8.52 Fe N7 Pd S0.52 -","1","0.0625","","Francisco J. Munoz Lara; Ana B. Gaspar; Daniel Aravena; Eliseo Ruiz; M. Carmen Munoz; Masaaki Ohba; Ryo Ohtani; Susumu Kitagawa; Jose A. Real","Enhanced bistability by guest inclusion in Fe(II) spin crossover porous coordination polymers","Chem.Commun.","2012","48","","4686","","10.1039/c2cc31048a","","","0.71073","MoKα","","0.112","0.0485","","","0.1047","0.1142","","","","","","0.894","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107636","7.4564","0.0003","7.4564","0.0003","7.2671","0.0009","90","","90","","90","","404.04","0.06","250","1","250","1","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C8.5 H6 Fe N7 Pt S0.5 -","- C8.52 Fe N7 Pt S0.52 -","- C8.52 Fe N7 Pt S0.52 -","1","0.0625","","Francisco J. Munoz Lara; Ana B. Gaspar; Daniel Aravena; Eliseo Ruiz; M. Carmen Munoz; Masaaki Ohba; Ryo Ohtani; Susumu Kitagawa; Jose A. Real","Enhanced bistability by guest inclusion in Fe(II) spin crossover porous coordination polymers","Chem.Commun.","2012","48","","4686","","10.1039/c2cc31048a","","","0.71073","MoKα","","0.0567","0.052","","","0.1106","0.1134","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107637","25.1381","0.0007","25.1381","0.0007","25.1381","0.0007","90","","90","","90","","15885.4","0.8","295","2","295","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H108 N12 O12 -","- C72 H84 N12 O12 -","- C576 H672 N96 O96 -","8","0.0833333","","Thomas Hasell; Marc Schmidtmann; Martin Smith; Corinne Stone; Andrew Cooper","Reversible water uptake by an imine-based porous organic cage","Chem. Commun.","2012","48","","4689","","10.1039/c2cc31212c","","","0.71073","MoKα","","0.0902","0.0881","","","0.2553","0.257","","","","","","1.278","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107638","5.6093","0.0012","14.34","0.002","39.901","0.004","90","","90","","90","","3209.5","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br F O -","- C10 H11 Br F O -","- C120 H132 Br12 F12 O12 -","12","3","","Michael Krische; Abbas Hassan; Timothy Montgomery","Consecutive iridium catalyzed C-C and C-H bond forming hydrogenations for the diastereo- and enantioselective synthesis of syn-3-fluoro-1-alcohols: C-H (2-fluoro)allylation of primary alcohols","Chem.Commun.","2012","48","","4692","","10.1039/c2cc31743e","","","0.71075","MoKα","","0.1404","0.0764","","","0.1259","0.1521","","","","","","1.129","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107639","12.7113","0.0003","18.3451","0.0004","19.6813","0.0005","63.048","0.001","84.449","0.001","74.869","0.001","3947.93","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H29 N3 O -","- C47 H29 N3 O -","- C188 H116 N12 O4 -","4","2","","Wei-Shan Chao; Ken-Hsien Liao; Chien-Tien Chen; Wei-Kai Huang; Chi-Ming Lan; Eric Wei-Guang Diau","Spirally configured cis-stilbene/fluorene hybrids as bipolar, organic sensitizers for solar cell applications","Chem.Commun.","2012","48","","4884","","10.1039/c2cc17079e","","","0.71073","MoKα","","0.1981","0.0827","","","0.2135","0.2565","","","","","","0.887","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107640","12.7199","0.0003","18.3611","0.0004","19.7203","0.0004","63.081","0.001","84.443","0.001","74.863","0.001","3962.96","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H31 N3 O2 -","- C47 H29 N3 O -","- C188 H116 N12 O4 -","4","2","","Wei-Shan Chao; Ken-Hsien Liao; Chien-Tien Chen; Wei-Kai Huang; Chi-Ming Lan; Eric Wei-Guang Diau","Spirally configured cis-stilbene/fluorene hybrids as bipolar, organic sensitizers for solar cell applications","Chem.Commun.","2012","48","","4884","","10.1039/c2cc17079e","","","0.71073","MoKα","","0.1564","0.0583","","","0.1337","0.1605","","","","","","0.841","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107641","15.0748","0.0014","9.813","0.0009","20.266","0.0018","90","","110.99","0.001","90","","2799","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 B2 Cl4 F4 N4 O4 -","- C60 H56 B2 Cl4 F4 N4 O4 -","- C120 H112 B4 Cl8 F8 N8 O8 -","2","0.5","","Naoya Sakamoto; Chusaku Ikeda; Masaki Yamamura; Tatsuya Nabeshima","alpha-Bridged BODIPY Oligomers with Switchable Near-IR Photoproperties by External-Stimuli-Induced Foldamer Formation and Disruption","Chem.Commun.","2012","48","","4818","","10.1039/c2cc17513d","","","0.71073","MoKα","","0.0606","0.0571","","","0.1377","0.1405","","","","","","1.05","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107642","16.5789","0.0008","16.5789","0.0008","19.1248","0.0009","90","","90","","120","","4552.4","0.4","120","","120","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C42 H45 N4.5 O9 -","- C40.5 H45 N3.75 O9 -","- C162 H180 N15 O36 -","4","0.333333","","Noriko Fujimoto; Mio Matsumura; Isao Azumaya; Shizuka Nishiyama; Hyuma Masu; Hiroyuki Kagechika; Aya Tanatani","Molecular chirality and chiral capsule-type dimer formation of cyclic triamides via hydrogen-bonding interactions","Chem.Commun.","2012","48","","4809","","10.1039/c2cc18177k","","","0.71073","MoKα","","0.0932","0.0797","","","0.2654","0.2769","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107643","15.2474","0.0012","29.608","0.002","9.3379","0.0007","90","","103.093","0.001","90","","4106","0.5","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N6 O7.5 -","- C40 H52 N6 O7.5 -","- C160 H208 N24 O30 -","4","1","","Noriko Fujimoto; Mio Matsumura; Isao Azumaya; Shizuka Nishiyama; Hyuma Masu; Hiroyuki Kagechika; Aya Tanatani","Molecular chirality and chiral capsule-type dimer formation of cyclic triamides via hydrogen-bonding interactions","Chem.Commun.","2012","48","","4809","","10.1039/c2cc18177k","","","0.71073","MoKα","","0.0885","0.0608","","","0.1817","0.2043","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107644","15.344","0.015","15.344","0.015","38.99","0.04","90","","90","","90","","9180","16","253","","253","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C37 H46 N8 O8 -","- C37 H42 N8 O8 -","- C296 H336 N64 O64 -","8","1","","Noriko Fujimoto; Mio Matsumura; Isao Azumaya; Shizuka Nishiyama; Hyuma Masu; Hiroyuki Kagechika; Aya Tanatani","Molecular chirality and chiral capsule-type dimer formation of cyclic triamides via hydrogen-bonding interactions","Chem.Commun.","2012","48","","4809","","10.1039/c2cc18177k","","","0.71073","MoKα","","0.1355","0.0864","","","0.2408","0.2729","","","","","","0.934","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107645","3.772","0.0008","10.381","0.002","20.876","0.004","90","","90","","90","","817.4","0.3","123","2","123","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C16 H14 Cl2 Cu N6 -","- C16 H14 Cl2 Cu N6 -","- C32 H28 Cl4 Cu2 N12 -","2","0.25","","William Gee; Stuart Batten","Instantaneous gelation of a new copper(II) metallogel amenable to encapsulation of a luminescent lanthanide cluster","Chem.Commun.","2012","48","","4830","","10.1039/c2cc30170a","","","0.710698","synchrotron","","0.0674","0.0635","","","0.1766","0.1852","","","","","","1.108","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107646","7.6845","0.0001","15.206","0.0004","22.1725","0.0006","90","","90","","90","","2590.87","0.1","298","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","(13S,16R,17R,18R)-benzyl-7-benzyl-8-(2-bromophenyl) -2-methoxy-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate.","","- C28 H29 Br N2 O4 -","- C28 H29 Br N2 O4 -","- C112 H116 Br4 N8 O16 -","4","1","","Heloise Brice; Duncan M. Gill; Laura Goldie; Philip S. Keegan; William J. Kerr; Per H. Svensson","Stereocontrolled access to optically-enriched oxabispidines","Chem.Commun.","2012","48","","4836","","10.1039/c2cc30761h","","","0.71073","MoKα","","0.0642","0.0316","","","0.0794","0.1015","","","","","","0.963","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107647","14.0778","0.0004","15.5817","0.0005","17.3053","0.0004","90","","102.422","0.001","90","","3707.16","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Cu F6 N4 P -","- C38 H40 Cu F6 N4 P -","- C152 H160 Cu4 F24 N16 P4 -","4","1","","Benjamin R. M. Lake; Emma K. Bullough; Thomas J. Williams; Adrian C. Whitwood; Marc A. Little; Charlotte E. Willans","Simple and versatile selective synthesis of neutral and cationic copper(I) N-heterocyclic carbene complexes using an electrochemical procedure","Chem.Commun.","2012","48","","4887","","10.1039/c2cc30862b","","","0.71073","MoKα","","0.0536","0.0389","","","0.1001","0.1102","","","","","","1.023","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107648","9.4581","0.0006","9.5482","0.0007","11.2949","0.001","69.206","0.007","82.837","0.006","69.262","0.006","891.79","0.13","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Br2 Cu2 N4 -","- C42 H36 Br2 Cu2 N4 -","- C42 H36 Br2 Cu2 N4 -","1","0.5","","Benjamin R. M. Lake; Emma K. Bullough; Thomas J. Williams; Adrian C. Whitwood; Marc A. Little; Charlotte E. Willans","Simple and versatile selective synthesis of neutral and cationic copper(I) N-heterocyclic carbene complexes using an electrochemical procedure","Chem.Commun.","2012","48","","4887","","10.1039/c2cc30862b","","","0.7107","MoKα","","0.0539","0.0406","","","0.0877","0.0953","","","","","","1.045","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107649","8.0929","0.001","10.7824","0.0015","11.7655","0.0016","69.473","0.005","86.792","0.004","69.242","0.004","896.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cu F6 N4 P -","- C42 H36 Cu F6 N4 P -","- C42 H36 Cu F6 N4 P -","1","0.5","","Benjamin R. M. Lake; Emma K. Bullough; Thomas J. Williams; Adrian C. Whitwood; Marc A. Little; Charlotte E. Willans","Simple and versatile selective synthesis of neutral and cationic copper(I) N-heterocyclic carbene complexes using an electrochemical procedure","Chem.Commun.","2012","48","","4887","","10.1039/c2cc30862b","","","0.71073","MoKα","","0.031","0.027","","","0.0746","0.077","","","","","","1.007","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107650","9.8647","0.0009","7.3597","0.0007","16.2732","0.0016","90","","95.924","0.004","90","","1175.15","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Br2 Cu2 N4 -","- C22 H24 Br2 Cu2 N4 -","- C44 H48 Br4 Cu4 N8 -","2","0.5","","Benjamin R. M. Lake; Emma K. Bullough; Thomas J. Williams; Adrian C. Whitwood; Marc A. Little; Charlotte E. Willans","Simple and versatile selective synthesis of neutral and cationic copper(I) N-heterocyclic carbene complexes using an electrochemical procedure","Chem.Commun.","2012","48","","4887","","10.1039/c2cc30862b","","","0.71073","MoKα","","0.0783","0.0688","","","0.2323","0.2401","","","","","","1.124","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107651","8.7429","0.0013","11.0137","0.0017","23.226","0.004","90","","92.91","0.004","90","","2233.6","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cu2 F12 N8 P2 -","- C44 H40 Cu2 F12 N8 P2 -","- C88 H80 Cu4 F24 N16 P4 -","2","0.5","","Benjamin R. M. Lake; Emma K. Bullough; Thomas J. Williams; Adrian C. Whitwood; Marc A. Little; Charlotte E. Willans","Simple and versatile selective synthesis of neutral and cationic copper(I) N-heterocyclic carbene complexes using an electrochemical procedure","Chem.Commun.","2012","48","","4887","","10.1039/c2cc30862b","","","0.71073","MoKα","","0.0345","0.0298","","","0.0775","0.0799","","","","","","1.099","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107652","27.0203","0.0014","9.5708","0.0005","7.537","0.0004","90","","93.11","0.005","90","","1946.24","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N2 O5.5 S -","- C6 H13 N2 O5.5 S -","- C48 H104 N16 O44 S8 -","8","2","","Xu, Hao-Ran; Zhang, Qian-Chong; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anisotropy of proton transport in an organic‒inorganic compound [(C6H10N2)2(SO4)2·3H2O]n (C6H10N2 = phenylenediammonium dication)","Chemical Communications (Cambridge, United Kingdom)","2012","48","40","4875","4877","10.1039/c2cc30896g","","","0.71073","MoKα","","0.0801","0.0598","","","0.1509","0.1571","","","","","","1.11","","","","has coordinates","211024","2020-10-21","18:00:00",""
"7107653","27.0843","0.0012","9.6042","0.0005","7.5562","0.0004","90","","92.993","0.004","90","","1962.86","0.17","265","2","265","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N2 O5.5 S -","- C6 H13 N2 O5.5 S -","- C48 H104 N16 O44 S8 -","8","2","","Xu, Hao-Ran; Zhang, Qian-Chong; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anisotropy of proton transport in an organic‒inorganic compound [(C6H10N2)2(SO4)2·3H2O]n (C6H10N2 = phenylenediammonium dication)","Chemical Communications (Cambridge, United Kingdom)","2012","48","40","4875","4877","10.1039/c2cc30896g","","","0.71073","MoKα","","0.0928","0.0657","","","0.1858","0.2139","","","","","","1.174","","","","has coordinates","211024","2020-10-21","18:00:00",""
"7107654","27.1493","0.0013","9.594","0.0005","7.5415","0.0004","90","","92.86","0.004","90","","1961.89","0.17","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N2 O5.5 S -","- C6 H13 N2 O5.5 S -","- C48 H104 N16 O44 S8 -","8","2","","Xu, Hao-Ran; Zhang, Qian-Chong; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anisotropy of proton transport in an organic‒inorganic compound [(C6H10N2)2(SO4)2·3H2O]n (C6H10N2 = phenylenediammonium dication)","Chemical Communications (Cambridge, United Kingdom)","2012","48","40","4875","4877","10.1039/c2cc30896g","","","0.71073","MoKα","","0.0996","0.074","","","0.1916","0.1991","","","","","","1.124","","","","has coordinates","211024","2020-10-21","18:00:00",""
"7107655","27.1531","0.0013","9.5952","0.0004","7.5456","0.0003","90","","92.837","0.004","90","","1963.52","0.15","286","2","286","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N2 O5.5 S -","- C6 H13 N2 O5.5 S -","- C48 H104 N16 O44 S8 -","8","2","","Xu, Hao-Ran; Zhang, Qian-Chong; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Anisotropy of proton transport in an organic‒inorganic compound [(C6H10N2)2(SO4)2·3H2O]n (C6H10N2 = phenylenediammonium dication)","Chemical Communications (Cambridge, United Kingdom)","2012","48","40","4875","4877","10.1039/c2cc30896g","","","0.71073","MoKα","","0.1059","0.0799","","","0.1995","0.2069","","","","","","1.146","","","","has coordinates","211024","2020-10-21","18:00:00",""
"7107656","9.467","0.0002","26.331","0.0005","17.648","0.0005","90","","102.789","0.001","90","","4290.08","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 Cu N O9 -","- C45 H53 Cu N O9 -","- C180 H212 Cu4 N4 O36 -","4","1","","Sean P. Bew; Andrew D. Burrows; Tina Duren; Mary F. Mahon; Peyman Z. Moghadam; Viorica M. Sebestyen; Sean Thurston","Calix[4]arene-based metal-organic frameworks: towards hierarchically porous materials","Chem.Commun.","2012","48","","4824","","10.1039/c2cc30988b","","","0.71073","MoKα","","0.1265","0.07","","","0.1644","0.1955","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107657","15.55","0.0003","24.921","0.0002","25.282","0.0004","90","","90.005","0.001","90","","9797.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C99 H127 Cd2 N5 O21 -","- C93 H113 Cd2 N3 O19 -","- C372 H452 Cd8 N12 O76 -","4","1","","Sean P. Bew; Andrew D. Burrows; Tina Duren; Mary F. Mahon; Peyman Z. Moghadam; Viorica M. Sebestyen; Sean Thurston","Calix[4]arene-based metal-organic frameworks: towards hierarchically porous materials","Chem.Commun.","2012","48","","4824","","10.1039/c2cc30988b","","","0.71073","MoKα","","0.0885","0.0693","","","0.1999","0.2163","","","","","","1.083","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107658","13.7658","0.0003","16.0409","0.0005","22.3491","0.001","104.894","0.003","89.547","0.003","92.223","0.002","4765.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H125 Co2.5 N4 O23 -","- C90 H106 Co2.5 N2 O21 -","- C180 H212 Co5 N4 O42 -","2","1","","Sean P. Bew; Andrew D. Burrows; Tina Duren; Mary F. Mahon; Peyman Z. Moghadam; Viorica M. Sebestyen; Sean Thurston","Calix[4]arene-based metal-organic frameworks: towards hierarchically porous materials","Chem.Commun.","2012","48","","4824","","10.1039/c2cc30988b","","","0.7107","MoKα","","0.1369","0.0775","","","0.2103","0.2299","","","","","","0.907","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107659","5.9323","0.0003","10.0252","0.0008","18.0127","0.0016","90","","90","","90","","1071.26","0.14","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C44 H48 N8 S4 -","4","1","","You-Dong Song; Shi-Kai Tian","A highly enantioselective catalytic Strecker reaction of cyclic (Z)-aldimines","Chem.Commun.","2012","48","","4899","","10.1039/c2cc31001e","","","0.71073","MoKα","","0.0366","0.0317","","","0.0754","0.0783","","","","","","1.045","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107660","7.2479","0.0003","7.0711","0.0004","13.0826","0.0006","90","","98.024","0.005","90","","663.93","0.06","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 Cl N2 -","- C14 H15 Cl N2 -","- C28 H30 Cl2 N4 -","2","1","","You-Dong Song; Shi-Kai Tian","A highly enantioselective catalytic Strecker reaction of cyclic (Z)-aldimines","Chem.Commun.","2012","48","","4899","","10.1039/c2cc31001e","","","0.71073","MoKα","","0.064","0.046","","","0.0895","0.0981","","","","","","1.024","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107661","7.8882","0.0005","11.969","0.0009","13.5794","0.0011","74.879","0.005","73.366","0.004","89.101","0.004","1183.49","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chlorido[3-(oxo-kappaO)-2-(4-methylphenyl)-chromen-4(1H)- onato-kappaO](hapto^6^-p-cymene)ruthenium(II)","","- C27 H29 Cl O4 Ru -","- C27 H29 Cl O4 Ru -","- C54 H58 Cl2 O8 Ru2 -","2","1","","Andrea Kurzwernhart; Wolfgang Kandioller; Caroline Bartel; Simone Baechler; Robert Trondl; Gerhard Muehlgassner; Michael A. Jakupec; Vladimir B. Arion; Doris Marko; Bernhard K. Keppler; Christian G. Hartinger","Targeting the DNA-topoisomerase complex in a double-strike approach with a topoisomerase inhibiting moiety and covalent DNA binder","Chem.Commun.","2012","48","","4839","","10.1039/c2cc31040f","","","0.71073","MoKα","","0.0819","0.0466","","","0.093","0.102","","","","","","0.985","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107662","14.3885","0.0005","15.4745","0.0006","8.4241","0.0003","90","","90","","90","","1875.67","0.12","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H19 N5 O5 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","1","","Fei Wang; Yan-Xi Tan; Hui Yang; Yao Kang; Jian Zhang","Open diamondoid amino-functionalized MOFs for CO2 capture","Chem.Commun.","2012","48","","4842","","10.1039/c2cc31211e","","","0.71073","MoKα","","0.0485","0.0409","","","0.1118","0.1162","","","","","","1.023","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107663","12.7589","0.0013","22.66","0.03","24.053","0.004","90","","90","","90","","6954","9","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C15 H17 N5 O5 Zn -","- C12 H10 N4 O4 Zn -","- C192 H160 N64 O64 Zn16 -","16","0.5","","Fei Wang; Yan-Xi Tan; Hui Yang; Yao Kang; Jian Zhang","Open diamondoid amino-functionalized MOFs for CO2 capture","Chem.Commun.","2012","48","","4842","","10.1039/c2cc31211e","","","0.71073","MoKα","","0.0433","0.0337","","","0.0889","0.0923","","","","","","1.005","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107664","12.7743","0.0008","22.1735","0.0015","24.5295","0.0017","90","","90","","90","","6948","0.8","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C12.5 H12 N4 O4.5 Zn -","- C12 H10 N4 O4 Zn -","- C192 H160 N64 O64 Zn16 -","16","0.5","","Fei Wang; Yan-Xi Tan; Hui Yang; Yao Kang; Jian Zhang","Open diamondoid amino-functionalized MOFs for CO2 capture","Chem.Commun.","2012","48","","4842","","10.1039/c2cc31211e","","","0.71073","MoKα","","0.0374","0.033","","","0.1002","0.1023","","","","","","1.124","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107665","15.509","0.002","8.506","0.002","24.339","0.003","90","","103.03","0.02","90","","3128.1","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 Ge N2 -","- C34 H44 Ge N2 -","- C136 H176 Ge4 N8 -","4","0.5","","Shabana Khan; Prinson P. Samuel; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Jean-Philippe Demers; Adam Lange; Herbert W. Roesky; Dietmar Stalke","Monomeric Sn(II) and Ge(II) hydrides supported by a tridentate pincer-based ligand","Chem.Commun.","2012","48","","4890","","10.1039/c2cc31214j","","","0.71073","MoKα","","0.0514","0.0408","","","0.1039","0.1098","","","","","","1.04","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107666","10.511","0.002","13.107","0.002","15.884","0.003","90","","98.82","0.02","90","","2162.4","0.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C48 H60 N2 Sn -","- C48 H60 N2 Sn -","- C96 H120 N4 Sn2 -","2","1","","Shabana Khan; Prinson P. Samuel; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Jean-Philippe Demers; Adam Lange; Herbert W. Roesky; Dietmar Stalke","Monomeric Sn(II) and Ge(II) hydrides supported by a tridentate pincer-based ligand","Chem.Commun.","2012","48","","4890","","10.1039/c2cc31214j","","","0.71073","MoKα","","0.0437","0.0354","","","0.0701","0.074","","","","","","1.09","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107667","12.4631","0.0006","11.07","0.0005","26.6746","0.0012","90","","99.542","0.007","90","","3629.3","0.3","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-(1-Benzyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C176 H160 N16 O32 -","8","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.054","0.0413","","","0.1068","0.117","","","","","","1.025","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107668","8.5606","0.0005","21.0536","0.001","10.9717","0.0007","90","","110.968","0.01","90","","1846.5","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-(1-Benzyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.0618","0.0447","","","0.1125","0.1258","","","","","","1.033","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107669","9.3258","0.0009","14.5225","0.0014","11.5197","0.001","90","","98.448","0.019","90","","1543.2","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-(1-Benzyl-4-ethyl-1,4-dihydropyridine-3,5-diyl)diethanone","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.0746","0.0402","","","0.0854","0.102","","","","","","1.024","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107670","12.0102","0.0002","13.7886","0.0003","20.7109","0.0004","90","","90","","90","","3429.8","0.11","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(1-Benzyl-4-(dimethoxymethyl)-1,4-dihydropyridine-3,5-diyl)diethanone","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.048","0.0355","","","0.0877","0.0941","","","","","","1.028","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107671","8.7082","0.0006","10.1835","0.0005","11.0221","0.0008","100.666","0.005","110.831","0.006","97.843","0.005","875.72","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","1,1'-(4-(4-Nitrophenyl)-1-phenyl-1,4-dihydropyridine-3,5-diyl)diethanone","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","","0.71073","MOKα","","0.0519","0.0433","","","0.1091","0.1175","","","","","","1.042","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107672","8.0656","0.0003","8.3174","0.0003","12.3033","0.0004","95.465","0.002","99.984","0.002","93.148","0.002","807.02","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","1,1'-(1-Allyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.0622","0.0475","","","0.1204","0.1349","","","","","","1.061","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107673","16.2061","0.0007","10.9226","0.0004","17.1311","0.0006","90","","93.915","0.01","90","","3025.3","0.2","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,1'-(1-Allyl-4-phenyl-1,4-dihydropyridine-3,5-diyl)diethanone","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","","0.71073","MoKα","","0.0545","0.0403","","","0.1036","0.1123","","","","","","1.034","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107674","8.5218","0.0006","19.4587","0.0016","9.7216","0.0007","90","","97.456","0.009","90","","1598.4","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-(1-Allyl-4-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-diyl)diethanone","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.0458","0.0403","","","0.1148","0.1209","","","","","","1.068","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107675","10.6949","0.0003","9.1552","0.0003","11.6695","0.0004","90","","90","","90","","1142.61","0.06","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1'-(4-Ethyl-1-methyl-1,4-dihydropyridine-3,5-diyl)diethanone","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.0407","0.0384","","","0.1052","0.1077","","","","","","1.058","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107676","11.9899","0.0006","15.0103","0.0008","10.9303","0.0006","90","","98.151","0.01","90","","1947.28","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-(2-Methoxy-4-(4-nitrophenyl)-1-phenyl-1,2,3,4-tetrahydropyridine-3,5-diyl) diethanone","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.0524","0.0402","","","0.1102","0.1177","","","","","","1.062","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107677","13.6012","0.0006","7.1439","0.0003","22.0501","0.0007","90","","101.036","0.003","90","","2102.89","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 B N O6 -","- C19 H30 B N O6 -","- C76 H120 B4 N4 O24 -","4","1","","Bin Xiao; Yi-Ming Li; Zhao-Jing Liu; Han-Yi Yang; Yao Fu","Palladium-catalyzed monoselective C-H borylation of acetanilides under acidic conditions","Chem.Commun.","2012","48","","4854","","10.1039/c2cc31737k","","","1.54184","CuKα","","0.0607","0.0524","","","0.1435","0.1521","","","","","","1.059","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107678","50.222","0.015","50.222","0.015","9.718","0.003","90","","90","","120","","21227","11","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","chloropalladium meso-anthriporphyrin","","","- C57.55 H42.1 Cl3.3 N3 O0.1 Pd -","- C57.55 H41.9 Cl3.3 N3 O0.1 Pd -","- C1035.9 H754.2 Cl59.4 N54 O1.8 Pd18 -","18","1","","Bartosz Szyszko; Lechoslaw Latos-Grazynski; Ludmila Szterenberg","Toward aceneporphyrinoids: synthesis and transformations of palladium(II) meso-anthriporphyrin","Chem.Commun.","2012","48","","5004","","10.1039/c2cc30362k","","","0.71073","MoKα","","0.0813","0.0424","","","0.0922","0.0969","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107679","16.924","0.005","24.465","0.008","11.989","0.003","90","","92.57","0.03","90","","4959","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","meso-anthriporphyrin monocation","","","- C57 H36.5 F4.5 N3 O3 -","- C56 H36 F3 N3 O2 -","- C224 H144 F12 N12 O8 -","4","1","","Bartosz Szyszko; Lechoslaw Latos-Grazynski; Ludmila Szterenberg","Toward aceneporphyrinoids: synthesis and transformations of palladium(II) meso-anthriporphyrin","Chem.Commun.","2012","48","","5004","","10.1039/c2cc30362k","","","0.71073","MoKα","","0.1166","0.0684","","","0.1899","0.2046","","","","","","1.107","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107680","9.779","0.003","13.499","0.006","16.963","0.006","92.09","0.03","101.98","0.04","106.41","0.04","2090.4","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","5,10,15,20-tetraphenyl-meso-anthriporphyrin","5,10,15,20-tetraphenyl-meso-anthriporphyrin","","- C54.5 H36 Cl N3 -","- C54 H35 N3 -","- C108 H70 N6 -","2","1","","Bartosz Szyszko; Lechoslaw Latos-Grazynski; Ludmila Szterenberg","Toward aceneporphyrinoids: synthesis and transformations of palladium(II) meso-anthriporphyrin","Chem.Commun.","2012","48","","5004","","10.1039/c2cc30362k","","","0.71073","MoKα","","0.1838","0.0764","","","0.1637","0.191","","","","","","0.774","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107681","12.4227","0.0009","25.958","0.002","13.1178","0.0012","90","","114.087","0.005","90","","3861.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 Br Fe N4 O -","- C49 H39 Br Fe N4 O -","- C196 H156 Br4 Fe4 N16 O4 -","4","1","","Wei-Min Ching; Chen-Hsiung Hung","Interior Aliphatic C-H Bond Activation on Iron(II) N-Confused Porphyrin through Synergistic Nitric Oxide Binding and Iron Oxidation","Chem.Commun.","2012","48","","4989","","10.1039/c2cc31053h","","","0.71073","MoKα","","0.1189","0.0568","","","0.1341","0.1665","","","","","","1.034","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107682","11.7119","0.0011","12.9672","0.001","14.6335","0.0011","64.68","0.005","86.09","0.006","65.569","0.005","1813","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H32 Cl2 Fe N5 O -","- C46 H32 Cl2 Fe N5 O -","- C92 H64 Cl4 Fe2 N10 O2 -","2","1","","Wei-Min Ching; Chen-Hsiung Hung","Interior Aliphatic C-H Bond Activation on Iron(II) N-Confused Porphyrin through Synergistic Nitric Oxide Binding and Iron Oxidation","Chem.Commun.","2012","48","","4989","","10.1039/c2cc31053h","","","0.71073","MoKα","","0.1688","0.0744","","","0.1605","0.2157","","","","","","0.934","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107683","18.0177","0.0011","16.7896","0.001","28.1291","0.0017","90","","106.17","0.003","90","","8172.7","0.9","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H68 B2 Cl6 F8 Fe2 N8 O -","- C93 H68 B2 Cl6 F8 Fe2 N8 O -","- C372 H272 B8 Cl24 F32 Fe8 N32 O4 -","4","1","","Wei-Min Ching; Chen-Hsiung Hung","Interior Aliphatic C-H Bond Activation on Iron(II) N-Confused Porphyrin through Synergistic Nitric Oxide Binding and Iron Oxidation","Chem.Commun.","2012","48","","4989","","10.1039/c2cc31053h","","","0.71073","MoKα","","0.2052","0.0834","","","0.2009","0.2719","","","","","","1.071","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107684","35.1501","0.0017","13.7918","0.0006","19.1196","0.0009","90","","119.319","0.003","90","","8081.6","0.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H33 B Cl3 F4 Fe N5 O -","- C46.5 H33 B Cl3 F4 Fe N5 O -","- C372 H264 B8 Cl24 F32 Fe8 N40 O8 -","8","1","","Wei-Min Ching; Chen-Hsiung Hung","Interior Aliphatic C-H Bond Activation on Iron(II) N-Confused Porphyrin through Synergistic Nitric Oxide Binding and Iron Oxidation","Chem.Commun.","2012","48","","4989","","10.1039/c2cc31053h","","","0.71073","MoKα","","0.0648","0.0454","","","0.132","0.153","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107685","13.985","0.002","14.614","0.003","16.7","0.003","68.406","0.003","84.457","0.003","61.789","0.002","2784.1","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Ba2 N4 O16 S2 -","- C48 H56 Ba2 N4 O16 S2 -","- C96 H112 Ba4 N8 O32 S4 -","2","1","","Tanay Kundu; Subash Sahoo; Rahul Banerjee","Alkali earth metal (Ca, Sr, Ba) based thermostable metal-organic frameworks (MOFs) for proton conduction","Chem.Commun.","2012","48","","4998","","10.1039/c2cc31135f","","","0.71073","MoKα","","0.0837","0.0557","","","0.1273","0.1413","","","","","","1.074","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107686","8.722","0.0003","27.5302","0.0008","11.2194","0.0003","90","","107.284","0.003","90","","2572.33","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CASBBA","","","- C23 H29 Ca N3 O9 S -","- C23 H29 Ca N3 O9 S -","- C92 H116 Ca4 N12 O36 S4 -","4","1","","Tanay Kundu; Subash Sahoo; Rahul Banerjee","Alkali earth metal (Ca, Sr, Ba) based thermostable metal-organic frameworks (MOFs) for proton conduction","Chem.Commun.","2012","48","","4998","","10.1039/c2cc31135f","","","1.54184","CuKα","","0.0591","0.0386","","","0.0936","0.1045","","","","","","1.028","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107687","13.9492","0.0009","15.6692","0.0013","15.9071","0.0013","60.919","0.009","72.626","0.006","88.389","0.006","2871.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","SrSBBA","","","- C80 H76 N8 O36 S4 Sr5 -","- C80 H76 N8 O36 S4 Sr5 -","- C80 H76 N8 O36 S4 Sr5 -","1","0.5","","Tanay Kundu; Subash Sahoo; Rahul Banerjee","Alkali earth metal (Ca, Sr, Ba) based thermostable metal-organic frameworks (MOFs) for proton conduction","Chem.Commun.","2012","48","","4998","","10.1039/c2cc31135f","","","1.54184","CuKα","","0.099","0.0825","","","0.2336","0.2534","","","","","","1.116","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107688","14.0344","0.0003","18.4366","0.0004","22.964","0.0005","99.5446","0.0017","104.448","0.0018","108.533","0.0019","5257.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H124 F12 N4 O34 P2 -","- C98 H124 F12 N4 O34 P2 -","- C196 H248 F24 N8 O68 P4 -","2","1","","Xuzhou Yan; Peifa Wei; Binyuan Xia; Feihe Huang; Qizhong Zhou","Pseudorotaxanes from self-assembly of two crown ether-based cryptands and a 1,2-bis(pyridinium) ethane derivative","Chem.Commun.","2012","48","","4968","","10.1039/c2cc31374j","","","1.54184","CuKα","","0.1157","0.0921","","","0.2486","0.274","","","","","","1.052","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107689","8.352","0.0005","12.0788","0.001","21.7041","0.0017","90","","90","","90","","2189.6","0.3","135.05","0.1","135.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Br N O5 -","- C18 H19 Br N O5 -","- C72 H76 Br4 N4 O20 -","4","1","","Yang Yang; Shunxi Dong; Xiaohua Liu; Lili Lin; Xiaoming Feng","Chiral guanidine-catalyzed asymmetric direct vinylogous Michael reaction of a,B-unsaturated Y-butyrolactams with alkylidene malonates","Chem.Commun.","2012","48","","5040","","10.1039/c2cc31470c","","","0.7107","MoKα","","0.134","0.0958","","","0.2459","0.281","","","","","","0.992","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107690","11.143","0.0006","14.117","0.0008","14.372","0.0008","98.177","0.001","97.785","0.001","107.03","0.001","2101.9","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 N8 Ni2 O8 S4 -","- C44 H30 N8 Ni2 O8 S4 -","- C88 H60 N16 Ni4 O16 S8 -","2","1","","and; Ryo Sekiya; Shin-ichi Nishikiori","Adsorption and separation of poly-aromatic hydrocarbons by a hydrogen-bonded coordination polymer","Chem.Commun.","2012","48","","5022","","10.1039/c2cc31586f","","x-ray","0.71073","MoKα","","0.0496","0.0389","","","0.0897","0.0952","","","","","","1.038","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107691","11.7891","0.0007","12.4396","0.0008","22.9328","0.0014","90","","90","","90","","3363.1","0.4","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 F2 N3 Si6 U -","- C18 H54 F2 N3 Si6 U -","- C72 H216 F8 N12 Si24 U4 -","4","1","","Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Pentavalent Uranium Trans-Dihalides and -Pseudohalides","Chem.Commun.","2012","48","","4977","","10.1039/c2cc31601c","","","0.71073","MoKα","","0.0188","0.0176","","","0.0422","0.0427","","","","","","1.054","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107692","11.9533","0.0004","12.5081","0.0004","22.874","0.0008","90","","90","","90","","3420","0.2","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 Cl2 N3 Si6 U -","- C18 H54 Cl2 N3 Si6 U -","- C72 H216 Cl8 N12 Si24 U4 -","4","1","","Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Pentavalent Uranium Trans-Dihalides and -Pseudohalides","Chem.Commun.","2012","48","","4977","","10.1039/c2cc31601c","","","0.71073","MoKα","","0.0116","0.011","","","0.028","0.0281","","","","","","1.011","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107693","12.5472","0.0012","15.7287","0.0015","36.278","0.003","90","","98.963","0.002","90","","7072.1","1.1","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 Br2 N3 Si6 U -","- C18 H54 Br2 N3 Si6 U -","- C144 H432 Br16 N24 Si48 U8 -","8","2","","Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Pentavalent Uranium Trans-Dihalides and -Pseudohalides","Chem.Commun.","2012","48","","4977","","10.1039/c2cc31601c","","","0.71073","MoKα","","0.0508","0.0341","","","0.0665","0.074","","","","","","1.074","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107694","11.8481","0.0006","12.5048","0.0005","22.9076","0.0011","90","","90","","90","","3393.9","0.3","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 Cl F N3 Si6 U -","- C18 H54 Cl F N3 Si6 U -","- C72 H216 Cl4 F4 N12 Si24 U4 -","4","1","","Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Pentavalent Uranium Trans-Dihalides and -Pseudohalides","Chem.Commun.","2012","48","","4977","","10.1039/c2cc31601c","","","0.71073","MoKα","","0.0247","0.0194","","","0.0379","0.0394","","","","","","1.01","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107695","12.102","0.0003","15.144","0.0004","20.9071","0.0005","90","","90.124","0.001","90","","3831.69","0.17","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 N5 S2 Si6 U -","- C20 H54 N5 S2 Si6 U -","- C80 H216 N20 S8 Si24 U4 -","4","1","","Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Pentavalent Uranium Trans-Dihalides and -Pseudohalides","Chem.Commun.","2012","48","","4977","","10.1039/c2cc31601c","","","0.71073","MoKα","","0.0761","0.0646","","","0.1776","0.1889","","","","","","1.098","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107696","10.3812","0.0007","10.9799","0.0008","12.2684","0.0009","115.624","0.007","97.025","0.006","94.82","0.006","1236.68","0.17","120","1","120","1","","","","","","","see text","3","P -1","-P 1","2","","","","- C34 H20 Br2 -","- C34 H20 Br2 -","- C68 H40 Br4 -","2","1","","N. Venkatramaiah; Shiv Kumar; Satish Patil","luoranthene based fluorescent chemosensors for detection of explosive nitroaromatics","Chem.Commun.","2012","48","","5007","","10.1039/c2cc31606d","","x-ray","0.71073","MoKα","","0.0887","0.057","","","0.1465","0.1629","","","","","","1.01","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107697","12.126","0.005","10.691","0.005","16.231","0.007","90","","106.918","0.007","90","","2013.1","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","adduct of diethylzinc and (tert butylamino)(piperidinomethyl)dimethylsilane","adduct of diethylzinc and (tert butylamino)(piperidinomethyl)dimethylsilane","","- C16 H38 N2 Si Zn -","- C16 H38 N2 Si Zn -","- C64 H152 N8 Si4 Zn4 -","4","1","","Victoria P. Colquhoun; Christian Unkelbach; Carsten Strohmann","Isolation of Reactive Intermediate in Deprotonation Reaction with Zinc Alkyls","Chem.Commun.","2012","48","","5034","","10.1039/c2cc32057f","","","0.71073","MoKα","","0.0323","0.0271","","","0.0684","0.0715","","","","","","1.048","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107698","8.3337","0.0002","9.9823","0.0002","11.3766","0.0002","100.862","0.0018","91.5344","0.0017","109.845","0.002","870.03","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(tert-butyl(dimethyl(piperidin-1- ylmethyl)silyl)amino)(ethyl)zinc","(tert-butyl(dimethyl(piperidin-1-ylmethyl)silyl)amino)(ethyl)zinc","","- C14 H32 N2 Si Zn -","- C14 H32 N2 Si Zn -","- C28 H64 N4 Si2 Zn2 -","2","1","","Victoria P. Colquhoun; Christian Unkelbach; Carsten Strohmann","Isolation of Reactive Intermediate in Deprotonation Reaction with Zinc Alkyls","Chem.Commun.","2012","48","","5034","","10.1039/c2cc32057f","","","0.71073","MoKα","","0.022","0.0192","","","0.0552","0.0556","","","","","","1.093","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107699","14.7303","0.0005","10.1126","0.0003","17.4314","0.0006","90","","107.87","0.004","90","","2471.34","0.15","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","adduct of diethylzinc and (tert butylamino)-(N,N?,N?- trimethylcyclohexyl-1R,2R-diamino-N-methyl)-dimethylsilane","adduct of diethylzinc and (tert butylamino)-(N,N?,N?-trimethylcyclohexyl-1R,2R-diamino-N-methyl)-dimethylsilane","","- C20 H47 N3 Si Zn -","- C20 H47 N3 Si Zn -","- C80 H188 N12 Si4 Zn4 -","4","1","","Victoria P. Colquhoun; Christian Unkelbach; Carsten Strohmann","Isolation of Reactive Intermediate in Deprotonation Reaction with Zinc Alkyls","Chem.Commun.","2012","48","","5034","","10.1039/c2cc32057f","","","0.71073","MoKα","","0.0266","0.0238","","","0.0542","0.0546","","","","","","1.037","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107700","12.6866","0.0015","5.7581","0.0007","14.916","0.0018","90","","113.145","0.002","90","","1001.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl N2 O5 -","- C22 H21 Cl N2 O5 -","- C44 H42 Cl2 N4 O10 -","2","1","","Liang-Liang Wang; Jian-Fei Bai; Lin Peng; Liang-Wen Qi; Li-Na Jia; Yun-Long Guo; Xi-Ya Luo; Xiaoying Xu; Li-xin Wang","Organocatalytic stereocontrolled synthesis of 3,3'-pyrrolidinyl spirooxindoles by [3+2] annulation of isocyanoesters with methyleneindolinones","Chem.Commun.","2012","48","","5175","","10.1039/c2cc30746d","","","0.71073","MoKα","","0.0366","0.0338","","","0.086","0.0878","","","","","","1.051","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107701","11.9894","0.0007","13.0968","0.0008","17.2527","0.001","90","","90","","90","","2709.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br N2 O7 -","- C27 H27 Br N2 O7 -","- C108 H108 Br4 N8 O28 -","4","1","","Liang-Liang Wang; Jian-Fei Bai; Lin Peng; Liang-Wen Qi; Li-Na Jia; Yun-Long Guo; Xi-Ya Luo; Xiaoying Xu; Li-xin Wang","Organocatalytic stereocontrolled synthesis of 3,3'-pyrrolidinyl spirooxindoles by [3+2] annulation of isocyanoesters with methyleneindolinones","Chem.Commun.","2012","48","","5175","","10.1039/c2cc30746d","","","0.71073","MoKα","","0.0273","0.0224","","","0.0519","0.0529","","","","","","0.994","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107702","12.0989","0.0002","12.7731","0.0002","16.3369","0.0003","90","","90","","90","","2524.71","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C108 H112 N8 O28 -","4","1","","Liang-Liang Wang; Jian-Fei Bai; Lin Peng; Liang-Wen Qi; Li-Na Jia; Yun-Long Guo; Xi-Ya Luo; Xiaoying Xu; Li-xin Wang","Organocatalytic stereocontrolled synthesis of 3,3'-pyrrolidinyl spirooxindoles by [3+2] annulation of isocyanoesters with methyleneindolinones","Chem.Commun.","2012","48","","5175","","10.1039/c2cc30746d","","","1.54178","CuKα","","0.0326","0.0326","","","0.0844","0.0844","","","","","","1.168","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107703","18.957","0.002","18.652","0.002","39.347","0.004","90","","100.713","0.002","90","","13670","2","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C68 H56 B F24 Ir N O P -","- C68 H56 B F23.9255 Ir N O P -","- C544 H448 B8 F191.404 Ir8 N8 O8 P8 -","8","2","","Jian Shang; Zhaobin Han; Yang Li; Zheng Wang; Kuiling Ding","Highly enantioselective asymmetric hydrogenation of (E)-B,B-disubstituted a,B-unsaturated Weinreb amides catalyzed by Ir(I) complexes of SpinPhox ligands","Chem.Commun.","2012","48","","5172","","10.1039/c2cc30812f","","","0.71073","MoKα","","0.1136","0.0637","","","0.1497","0.1874","","","","","","0.891","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107704","13.1138","0.0003","13.1138","0.0003","78.0725","0.0018","90","","90","","90","","13426.3","0.5","133","2","133","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C72 H57 B F24 Ir N O1.5 P -","- C72 H52 B F24 Ir N O1.5 P -","- C576 H416 B8 F192 Ir8 N8 O12 P8 -","8","1","","Jian Shang; Zhaobin Han; Yang Li; Zheng Wang; Kuiling Ding","Highly enantioselective asymmetric hydrogenation of (E)-B,B-disubstituted a,B-unsaturated Weinreb amides catalyzed by Ir(I) complexes of SpinPhox ligands","Chem.Commun.","2012","48","","5172","","10.1039/c2cc30812f","","","1.54178","CuKα","","0.0526","0.0519","","","0.1244","0.1248","","","","","","1.122","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107705","9.6237","0.0006","11.9478","0.0007","12.4395","0.0008","90","","90","","90","","1430.32","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Shu-Wen Duan; Yang Li; Yi-Yin Liu; You-Quan Zou; De-Qing Shi; Wen-Jing Xiao","An organocatalytic Michael-aldol cascade: formal [3+2] annulation to construct enantioenriched spirocyclic oxindole derivatives","Chem.Commun.","2012","48","","5160","","10.1039/c2cc30931a","","","0.71073","MoKα","","0.0297","0.0265","","","0.0637","0.0646","","","","","","1.035","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7107706","13.1977","0.0004","12.7229","0.0004","11.5658","0.0004","90","","103.008","0.002","90","","1892.21","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 -","- C24 H22 N4 -","- C96 H88 N16 -","4","1","","Li Zhou; Zong-Xiang Xu; Ye Zhou; Yan Feng; Xiang-Ge Zhou; Hai-Feng Xiang; V.A.L. Roy","Structure-charge transport relationship of 5,15-Dialkylated porphyrins","Chem.Commun.","2012","48","","5139","","10.1039/c2cc31137b","","","0.71073","MoKα","","0.0871","0.0642","","","0.1917","0.2123","","","","","","1.002","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107707","9.898","0.0006","9.3449","0.0006","12.9197","0.0008","90","","107.261","0.004","90","","1141.2","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 -","- C28 H30 N4 -","- C56 H60 N8 -","2","0.5","","Li Zhou; Zong-Xiang Xu; Ye Zhou; Yan Feng; Xiang-Ge Zhou; Hai-Feng Xiang; V.A.L. Roy","Structure-charge transport relationship of 5,15-Dialkylated porphyrins","Chem.Commun.","2012","48","","5139","","10.1039/c2cc31137b","","","0.71073","MoKα","","0.129","0.0744","","","0.2107","0.2826","","","","","","1","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107708","17.6742","0.0011","7.0921","0.0013","19.3659","0.0014","90","","90","","90","","2427.5","0.5","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H13 N3 O S2 -","- C11 H13 N3 O S2 -","- C88 H104 N24 O8 S16 -","8","1","","Yuncong Chen; Chrengcheng Zhu; Zhenghao Yang; Jing Li; Yang Jiao; Weijiang He; Junjie Chen; Zijian Guo","A new 'turn-on' chemodosimeter for Hg2+: ICT fluorophore formation via Hg2±induced carbaldehyde recovery from 1,3_dithiane","Chem.Commun.","2012","48","","5094","","10.1039/c2cc31217d","","","0.71073","MoKα","","0.0768","0.0581","","","0.1444","0.151","","","","","","1.046","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107709","14.821","0.004","15.65","0.005","17.686","0.005","74.787","0.004","87.859","0.004","66.476","0.004","3619","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","TRISPHAT","","","- C120 H50 Cl48 N10 O24 P4 -","- C120 H50 Cl48 N10 O24 P4 -","- C120 H50 Cl48 N10 O24 P4 -","1","0.5","","Sissel S. Andersen; Morten Jensen; Anne Sorensen; Eigo Miyazaki; Kazuo Takimiya; Bo W. Laursen; Amar H. Flood; Jan O. Jeppesen","Anion effects on the cyclobis(paraquat-p-phenylene) host","Chem.Commun.","2012","48","","5157","","10.1039/c2cc31225e","","","0.71073","MoKα","","0.1793","0.1045","","","0.2054","0.2347","","","","","","1.116","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107710","11.654","0.011","8.99","0.008","14.054","0.013","90","","108.273","0.017","90","","1398","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 Br N2 O3 -","- C33 H27 Br N2 O3 -","- C66 H54 Br2 N4 O6 -","2","1","","Lixin Li; Wenchao Chen; Wenguo Yang; Yuanhang Pan; Hongjun Liu; Choon-Hong Tan; Zhiyong Jiang","Bicyclic guanidine-catalyzed asymmetric Michael additions of 3-benzyl-substituted oxindoles to N-maleimides","Chem.Commun.","2012","48","","5124","","10.1039/c2cc31587d","","","0.71073","MoKα","","0.0731","0.0386","","","0.0731","0.0798","","","","","","0.843","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107711","17.379","0.004","7.7605","0.0016","16.708","0.003","90","","101.77","0.03","90","","2206","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H8 F14 N2 O4 -","- C22 H8 F14 N2 O4 -","- C88 H32 F56 N8 O16 -","4","1","","Aifeng Lv; Yan Li; Wan Yue; Lang Jiang; Huanli Dong; Guangyao Zhao; Qing Meng; Wei Jiang; Yudong He; Zhibo Li; Zhaohui Wang; Wenping Hu","High performance n-type single crystalline transistors of naphthalene bis(dicarboximide) and their anisotropic transport in crystals","Chem.Commun.","2012","48","","5154","","10.1039/c2cc31619f","","","0.71073","MoKα","","0.1153","0.0833","","","0.1476","0.1603","","","","","","1.169","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107712","14.8379","0.0012","6.4738","0.0006","13.373","0.0011","90","","98.932","0.006","90","","1269","0.19","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Madhu Sudan Manna; Vikas Kumar; Santanu Mukherjee","Catalytic enantioselective construction of quaternary stereocenters by direct vinylogous Michael addition of deconjugated butenolides to nitroolefins","Chem.Commun.","2012","48","","5193","","10.1039/c2cc31700a","","","0.71073","MoKα","","0.0672","0.0423","","","0.1049","0.1165","","","","","","1.027","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107713","11.4189","0.001","14.9794","0.0013","12.407","0.0009","90","","116.424","0.003","90","","1900.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F N2 O2 S -","- C21 H19 F N2 O2 S -","- C84 H76 F4 N8 O8 S4 -","4","1","","Guillaume Compain; Kevin Jouvin; Agnes Martin-Mingot; Gwilherm Evano; Jerome Marrot; Sebastien Thibaudeau","Stereoselective hydrofluorination of ynamides: a straightforward synthesis of novel α-fluoroenamides","Chem.Commun.","2012","48","42","5196","5198","10.1039/c2cc31768k","","","0.71073","MoKα","","0.0459","0.0381","","","0.1115","0.122","","","","","","1.062","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107714","9.0138","0.0008","12.0813","0.001","9.5129","0.0009","90","","109.254","0.004","90","","978","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 F2 N O2 S -","- C22 H19 F2 N O2 S -","- C44 H38 F4 N2 O4 S2 -","2","1","","Guillaume Compain; Kevin Jouvin; Agnes Martin-Mingot; Gwilherm Evano; Jerome Marrot; Sebastien Thibaudeau","Stereoselective hydrofluorination of ynamides: a straightforward synthesis of novel α-fluoroenamides","Chem.Commun.","2012","48","42","5196","5198","10.1039/c2cc31768k","","","0.71073","MoKα","","0.0294","0.0283","","","0.0779","0.0789","","","","","","1.084","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107715","36.835","0.003","27.126","0.002","22.4881","0.0012","90","","103.306","0.003","90","","21867","3","123","0.1","123","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C200 H213 Cl15 N18 O21 Zn2 -","- C190 H188 N18 O16 Zn2 -","- C760 H752 N72 O64 Zn8 -","4","0.5","","Julien Taesch; Valerie Heitz; Filip Topic; Kari Rissanen","Templated synthesis of a large and flexible covalent porphyrinic cage bearing orthogonal recognition sites","Chem.Commun.","2012","48","","5118","","10.1039/c2cc31855e","","","0.71073","MoKα","","0.3017","0.1686","","","0.4118","0.4577","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107716","6.1897","0.0006","11.9527","0.0011","21.87","0.002","90","","93.201","0.001","90","","1615.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Olga Crespo; Beatriz Eguillor; Miguel A. Esteruelas; Israel Fernandez; Jorge Garcia-Raboso; Mar Gomez-Gallego; Mamen Martin-Ortiz; Montserrat Olivan; Miguel A. Sierra","Preparation and Characterisation of [6]-Azaosmahelicenes: The First d4-Heterometallahelicenes","Chem.Commun.","2012","48","","5328","5330","10.1039/c2cc30356f","","","0.71073","MoKα","","0.0753","0.0418","","","0.0872","0.0971","","","","","","0.896","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107717","39.3354","0.0014","39.3354","0.0014","11.0574","0.0006","90","","90","","90","","17108.8","1.3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C42 H61 N Os P2 -","- C42 H61 N Os P2 -","- C672 H976 N16 Os16 P32 -","16","1","","Olga Crespo; Beatriz Eguillor; Miguel A. Esteruelas; Israel Fernandez; Jorge Garcia-Raboso; Mar Gomez-Gallego; Mamen Martin-Ortiz; Montserrat Olivan; Miguel A. Sierra","Preparation and Characterisation of [6]-Azaosmahelicenes: The First d4-Heterometallahelicenes","Chem.Commun.","2012","48","","5328","5330","10.1039/c2cc30356f","","","0.71073","MoKα","","0.1243","0.0435","","","0.1001","0.1194","","","","","","0.857","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107718","21.277","0.004","30.998","0.005","32.288","0.005","70.341","0.003","73.958","0.003","89.499","0.003","19190","6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C470 H598 Cu36 Dy24 N24 O297 -","- C496 H558 Cu36 Dy24 N38 O258 -","- C496 H558 Cu36 Dy24 N38 O258 -","1","0.5","","Ji-Dong Leng; Jun-Liang Liu; Ming-Liang Tong","Unique Nanoscale {CuII36LnIII24} (Ln = Dy and Gd) Metallo-rings","Chem.Commun.","2012","48","","5286","","10.1039/c2cc30521f","","","0.71073","MoKα","","0.1459","0.0677","","","0.1588","0.1869","","","","","","0.88","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107719","20.779","0.003","31.7","0.005","31.802","0.005","68.777","0.002","74.614","0.002","87.823","0.003","18788","5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C478 H592 Cu36 Gd24 N30 O289 -","- C464 H446 Cu36 Gd24 N24 O230 -","- C464 H446 Cu36 Gd24 N24 O230 -","1","0.5","","Ji-Dong Leng; Jun-Liang Liu; Ming-Liang Tong","Unique Nanoscale {CuII36LnIII24} (Ln = Dy and Gd) Metallo-rings","Chem.Commun.","2012","48","","5286","","10.1039/c2cc30521f","","","0.71073","MoKα","","0.1322","0.061","","","0.1491","0.176","","","","","","0.929","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107720","20.2591","0.0007","20.2591","0.0007","12.8252","0.0004","90","","90","","90","","5263.9","0.3","200","","200","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C128 H68 Cl4 N20 O4 Tb2 -","- C128 H68 Cl4 N20 O4 Tb2 -","- C256 H136 Cl8 N40 O8 Tb4 -","2","0.25","","Shohei Sakaue; Akira Fuyuhiro; Takamitsu Fukuda; Naoto Ishikawa","Dinuclear single-molecule magnets with porphyrin-phthalocyanine mixed triple-decker ligand systems giving SAP and SP coordination polyhedra","Chem.Commun.","2012","48","","5337","","10.1039/c2cc31125a","","","0.71075","MoKα","","","0.0648","","","","0.1653","","","","","","1.227","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107721","12.6289","0.0006","16.3546","0.0008","17.1424","0.0006","75.019","0.001","86.462","0.002","77.091","0.001","3333.8","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H92 N24 O10 Pd6 -","- C92 H92 N24 O10 Pd6 -","- C92 H92 N24 O10 Pd6 -","1","0.5","","Jin Tong; Shu-Yan Yu; Hui Li","Programmable Self-Assembly of Homo- or Hetero- Metallomacrocycles using 4-(1H-pyrazolyl-4-yl)pyridine","Chem.Commun.","2012","48","","5343","","10.1039/c2cc31234d","","","0.71073","MoKα","","0.0707","0.044","","","0.1026","0.1097","","","","","","1.074","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107722","15.2067","0.0015","15.8034","0.0016","17.2256","0.0019","116.487","0.002","102.313","0.004","96.752","0.002","3511.2","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H88 N32 O32 Pd2 Pt4 -","- C92 H88 N32 O32 Pd2 Pt4 -","- C92 H88 N32 O32 Pd2 Pt4 -","1","0.5","","Jin Tong; Shu-Yan Yu; Hui Li","Programmable Self-Assembly of Homo- or Hetero- Metallomacrocycles using 4-(1H-pyrazolyl-4-yl)pyridine","Chem.Commun.","2012","48","","5343","","10.1039/c2cc31234d","","","0.71073","MoKα","","0.0834","0.0561","","","0.1073","0.1127","","","","","","1.085","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107723","13.397","0.003","16.61","0.003","22.239","0.004","86.15","0.03","89.18","0.02","89.19","0.03","4936.6","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H82 N24 O17 Pd4 -","- C80 H82 N24 O17 Pd4 -","- C160 H164 N48 O34 Pd8 -","2","1","","Jin Tong; Shu-Yan Yu; Hui Li","Programmable Self-Assembly of Homo- or Hetero- Metallomacrocycles using 4-(1H-pyrazolyl-4-yl)pyridine","Chem.Commun.","2012","48","","5343","","10.1039/c2cc31234d","","","0.71073","MoKα","","0.0534","0.0454","","","0.1093","0.1115","","","","","","1.038","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107724","9.1521","0.0003","14.3285","0.0004","20.2138","0.0006","97.7195","0.0013","97.2737","0.0019","89.468","0.002","2605.51","0.14","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","4","","Hidetoshi Watanabe; Tomoyuki Yoshimura; Shimpei Kawakami; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata","Asymmetric aldol reaction via memory of chirality","Chem.Commun.","2012","48","","5346","","10.1039/c2cc31447a","","","0.71069","MoKα","","0.0762","0.0551","","","0.121","0.1297","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107725","12.8817","0.0004","13.9178","0.0005","16.2162","0.0006","75.276","0.002","75.775","0.002","70.909","0.002","2614.81","0.16","268","","268","","","","","","","","","9","P -1","-P 1","2","","","","- C48.5 H37.5 B Cl7.5 Cu F4 N5 O P2 -","- C48.5 H37.5 B Cl7.5 Cu F4 N5 O P2 -","- C97 H75 B2 Cl15 Cu2 F8 N10 O2 P4 -","2","1","","Atsushi Wada; Qisheng Zhang; Takuma Yasuda; Isao Takasu; Shintaro Enomoto; Chihaya Adachi","Efficient luminescence from a copper(I) complex doped in organic light-emitting diodes by suppressing C-H vibrational quenching","Chem.Commun.","2012","48","","5340","","10.1039/c2cc31509b","","","0.71073","MoKα","","0.1192","0.0815","","","0.1762","0.1987","","","","","","0.98","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107726","11.6614","0.0014","45.415","0.006","12.8123","0.0016","90","","106.418","0.002","90","","6508.8","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2dfc3ca","","","- C120 H176 N10 O46 S5 -","- C120 H176 N10 O46 S5 -","- C240 H352 N20 O92 S10 -","2","1","","Drew A. Fowler; Simon J. Teat; Gary A. Baker; Jerry L. Atwood","Ionic galleries: a bilayered host-guest cocrystal of C-propyl pyrogallol[4]arene with an ionic liquid","Chem.Commun.","2012","48","","5262","","10.1039/c2cc31510f","","","0.7749","synchrotron","","0.0981","0.0859","","","0.2234","0.2336","","","","","","1.05","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107727","8.023","0.0009","8.023","0.0009","13.83","0.0014","90","","90","","90","","890.22","0.17","223","","223","","","","","","","","","6","P 43","P 4cw","78","","","","- C5 H8 F3 N O3 S -","- C5 H8 F3 N O3 S -","- C20 H32 F12 N4 O12 S4 -","4","1","","Masahito Ochiai; Shinichi Yamane; Md. Mahbubul Hoque; Motomichi Saito; Kazunori Miyamoto","Metal-free a-CH amination of ethers with hypervalent sulfonylimino-lamda^3^-bromane that acts as an active nitrenoid","Chem.Commun.","2012","","","5280","","10.1039/c2cc31523h","","","0.71075","MoK$B%((Ba","","","0.0312","","","","0.0705","","","","","","1.147","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107728","6.9714","0.0017","9.36","0.003","15.546","0.004","75.68","0.004","82.15","0.003","68.441","0.003","913","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C44 H48 O8 -","2","1","","Yusuke Yasu; Takashi Koike; Munetaka Akita","Sunlight-driven synthesis of Y-diketones via oxidative coupling of enamines with silyl enol ethers catalyzed by [Ru(bpy)3]2+","Chem.Commun.","2012","48","","5355","","10.1039/c2cc31748f","","","0.71073","MoKα","","0.1027","0.0812","","","0.2169","0.2357","","","","","","1.021","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107729","16.8528","0.0006","19.2437","0.0005","20.3447","0.0005","90","","90","","90","","6598","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H59 N4 Na O2 Zn -","- C28 H59 N4 Na O2 Zn -","- C224 H472 N32 Na8 O16 Zn8 -","8","1","","Jennifer A. Garden; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson","Ambient temperature zincation of N-Boc pyrrolidine and its solvent dependency","Chem.Commun.","2012","48","","5265","","10.1039/c2cc31793a","","","0.71073","MoKα","","0.0816","0.0425","","","0.0819","0.0949","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107730","8.541","0.003","11.032","0.003","11.358","0.003","69.33","0.03","76.16","0.03","72.49","0.03","944.2","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 N6 Na2 O2 -","- C36 H60 N6 Na2 O2 -","- C36 H60 N6 Na2 O2 -","1","0.5","","Jennifer A. Garden; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson","Ambient temperature zincation of N-Boc pyrrolidine and its solvent dependency","Chem.Commun.","2012","48","","5265","","10.1039/c2cc31793a","","","0.71073","MoKα","","0.0911","0.0591","","","0.156","0.1954","","","","","","1.071","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107731","9.0221","0.001","12.4227","0.0014","12.8373","0.0014","69.652","0.002","74.456","0.002","87.696","0.002","1297.4","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N4 O6 S2 -","- C26 H24 N4 O6 S2 -","- C52 H48 N8 O12 S4 -","2","1","","Zhen Zhang; Yin Wei; Min Shi","An unprecedented ring-opening reaction of N-(aziridin-2-ylmethylene)hydrazines to facile synthesis of functionalized enamines catalysed by Lewis acid","Chem.Commun.","2012","48","","5334","","10.1039/c2cc31911j","","","0.71073","MoKα","","0.0757","0.0473","","","0.1271","0.1583","","","","","","1.078","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107732","9.682","0.002","10.655","0.002","15.011","0.003","107.22","0.004","96.011","0.004","110.395","0.003","1348.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N4 O6 S2 -","- C26 H24 N4 O6 S2 -","- C52 H48 N8 O12 S4 -","2","1","","Zhen Zhang; Yin Wei; Min Shi","An unprecedented ring-opening reaction of N-(aziridin-2-ylmethylene)hydrazines to facile synthesis of functionalized enamines catalysed by Lewis acid","Chem.Commun.","2012","48","","5334","","10.1039/c2cc31911j","","","0.71073","MoKα","","0.0767","0.0563","","","0.1491","0.1643","","","","","","1.037","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107733","27.853","0.001","29.022","0.001","11.599","0.0005","90","","90.132","0.005","90","","9376","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C126 H91 Cl4 N5 O10 -","- C126 H91 Cl4.0005 N5 O10 -","- C504 H364 Cl16.002 N20 O40 -","4","2","","Alexey Kornev; Ekaterina Khakina; Sergey Troyanov; Alla Kushch; Alexander Peregudov; Dmitry Deryabin; Vyacheslav Martynenko; Pavel Troshin","Facile preparation of amine and amino acid adducts of [60]fullerene using chlorofullerene C60Cl6 as a precursor","Chem.Commun.","2012","48","","5461","","10.1039/c2cc00071g","","","0.905","synchrotron","","0.0919","0.0822","","","0.1872","0.1987","","","","","","1.016","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107734","24.6475","0.0013","9.0725","0.0004","21.7223","0.001","90","","114.311","0.002","90","","4426.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N4 O2 P2 Ru -","- C48 H38 N4 O2 P2 Ru -","- C192 H152 N16 O8 P8 Ru4 -","4","1","","Vincent T. Annibale; Datong Song","Reversible formal insertion of CO2 into a remote C-H bond of a ligand in a Ru(II) complex at room temperature","Chem.Commun.","2012","48","","5416","","10.1039/c2cc17933d","","","0.71073","MoKα","","0.1052","0.059","","","0.1332","0.1457","","","","","","1.025","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107735","47.4626","0.0013","14.0486","0.0004","50.1602","0.0011","90","","103.689","0.003","90","","32495.9","1.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C148 H276.6 Cl10 Mn36 N6 Ni4 O126.3 -","- C148 H248 Cl10 Mn36 N6 Ni4 O126.3 -","- C592 H992 Cl40 Mn144 N24 Ni16 O505.2 -","4","0.5","","Maria Charalambous; Eleni E. Moushi; Constantina Papatriantafyllopoulou; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","A Mn36Ni4 'loop-of-loops-and-supertetrahedra' aggregate possessing a high ST = 26 +/- 1 spin ground state","Chem.Commun.","2012","48","","5410","","10.1039/c2cc30654a","","","0.71073","MoKα","","0.1503","0.0725","","","0.1702","0.1851","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107736","21.151","0.011","7.492","0.004","28.471","0.015","90","","99.012","0.006","90","","4456","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 B2 F4 N4 O -","- C25 H18 B2 F4 N4 O -","- C200 H144 B16 F32 N32 O8 -","8","1","","Weidong Pang; Xian-Fu Zhang; Jinyuan Zhou; Changjiang Yu; Erhong Hao; Lijuan Jiao","Modulating the singlet oxygen generation property of meso-beta directly linked BODIPY dimers","Chem.Commun.","2012","48","","5437","","10.1039/c2cc30915g","","","0.71073","MoKα","","0.1969","0.0903","","","0.2566","0.3084","","","","","","1.088","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107737","13.7354","0.0003","14.3655","0.0003","13.8591","0.0003","90","","100.259","0.002","90","","2690.9","0.1","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 B2 F4 N4 O -","- C29 H26 B2 F4 N4 O -","- C116 H104 B8 F16 N16 O4 -","4","1","","Weidong Pang; Xian-Fu Zhang; Jinyuan Zhou; Changjiang Yu; Erhong Hao; Lijuan Jiao","Modulating the singlet oxygen generation property of meso-beta directly linked BODIPY dimers","Chem.Commun.","2012","48","","5437","","10.1039/c2cc30915g","","","1.54184","CuKα","","0.0556","0.0424","","","0.1094","0.1218","","","","","","1.019","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107738","10.6288","0.0009","11.095","0.0009","19.9094","0.0017","90","","103.688","0.001","90","","2281.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 B2 Cl2 F4 N4 -","- C24 H14 B2 Cl2 F4 N4 -","- C96 H56 B8 Cl8 F16 N16 -","4","1","","Weidong Pang; Xian-Fu Zhang; Jinyuan Zhou; Changjiang Yu; Erhong Hao; Lijuan Jiao","Modulating the singlet oxygen generation property of meso-beta directly linked BODIPY dimers","Chem.Commun.","2012","48","","5437","","10.1039/c2cc30915g","","","0.71073","MoKα","","0.0742","0.0527","","","0.1456","0.1635","","","","","","1.04","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107739","19.4958","0.0014","14.4053","0.0011","20.2393","0.0015","90","","91.319","0.001","90","","5682.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 B2 Cl2 F4 N4 -","- C28 H22 B2 Cl2 F4 N4 -","- C224 H176 B16 Cl16 F32 N32 -","8","2","","Weidong Pang; Xian-Fu Zhang; Jinyuan Zhou; Changjiang Yu; Erhong Hao; Lijuan Jiao","Modulating the singlet oxygen generation property of meso-beta directly linked BODIPY dimers","Chem.Commun.","2012","48","","5437","","10.1039/c2cc30915g","","","0.71073","MoKα","","0.1816","0.0674","","","0.1787","0.2348","","","","","","1.025","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107740","6.799","0.002","8.08","0.003","12.822","0.004","104.488","0.004","92.528","0.005","96.782","0.005","675.2","0.4","17","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C32 H22 N4 -","1","0.5","","Toru Okawara; Koichi Hashimoto; Masaaki Abe; Hisashi Shimakoshi; Yoshio Hisaeda","Hydrogenation effects in metalloporphycenes: synthesis and redox behavior of Ni(II)-tetra(n-propyl)dihydroporphycene","Chem.Commun.","2012","48","","5413","","10.1039/c2cc30991b","","","0.71073","MoKα","","0.1268","0.0908","","","0.1919","0.2093","","","","","","1.07","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107741","27.429","0.005","27.429","0.005","9.897","0.005","90","0.005","90","0.005","90","0.005","7446","4","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H10 Cd N6 O8.5 -","- C20 H10 Cd N6 O8.5 -","- C160 H80 Cd8 N48 O68 -","8","1","","Tamas Panda; Tanay Kundu; Rahul Banerjee","Self-assembled one dimensional functionalized metal-organic nanotubes (MONTs) for proton conduction","Chem.Commun.","2012","48","","5464","","10.1039/c2cc31527k","","","0.71073","MoKα","","0.1132","0.0927","","","0.2739","0.2963","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107742","26.6386","0.0005","26.6386","0.0005","9.8419","0.0003","90","","90","","90","","6984","0.3","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H10 In N6 O8 -","- C20 H10 In N6 O8 -","- C160 H80 In8 N48 O64 -","8","1","","Tamas Panda; Tanay Kundu; Rahul Banerjee","Self-assembled one dimensional functionalized metal-organic nanotubes (MONTs) for proton conduction","Chem.Commun.","2012","48","","5464","","10.1039/c2cc31527k","","","0.71073","MoKα","","0.0971","0.0778","","","0.2224","0.2347","","","","","","1.099","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107743","11.3781","0.0002","18.5161","0.0003","12.4123","0.0002","90","","91.217","0.001","90","","2614.41","0.08","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 Cl2 Fe N4 O10 -","- C21 H24 Cl2 Fe N4 O10 -","- C84 H96 Cl8 Fe4 N16 O40 -","4","1","","Dayoung Song; Jung Mi Lim; Somin Cho; Su-Jin Park; Jaeheung Cho; Dongmin Kang; Sue Goo Rhee; Youngmin You; Wonwoo Nam","A fluorescence turn-on H2O2 probe exhibits lysosome-localized fluorescence signals","Chem.Commun.","2012","48","","5449","","10.1039/c2cc31632c","","","0.71073","MoKα","","0.0344","0.0304","","","0.0802","0.0838","","","","","","0.913","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107744","14.142","0.004","8.134","0.002","19.517","0.005","90","","92.482","0.005","90","","2243","1","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C96 H108 N4 O20 S4 -","4","2","","Guo-Xing Li; Jin Qu","Enantioselective Friedel-Crafts reactions between phenols and N-tosylaldimines catalyzed by a leucine-derived bifunctional catalyst","Chem.Commun.","2012","48","","5518","","10.1039/c2cc31735d","","","0.71073","MoKα","","0.0509","0.0451","","","0.0907","0.0937","","","","","","1.03","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107745","9.745","0.003","11.871","0.003","18.087","0.005","90","","90","","90","","2092.4","1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F N O5 S -","- C22 H22 F N O5 S -","- C88 H88 F4 N4 O20 S4 -","4","1","","Guo-Xing Li; Jin Qu","Enantioselective Friedel-Crafts reactions between phenols and N-tosylaldimines catalyzed by a leucine-derived bifunctional catalyst","Chem.Commun.","2012","48","","5518","","10.1039/c2cc31735d","","","0.71073","MoKα","","0.0394","0.0337","","","0.0679","0.07","","","","","","1.019","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107746","13.1932","0.0004","13.2686","0.0004","20.6938","0.0008","96.856","0.002","102.91","0.002","113.861","0.001","3138.52","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H132 B4 Fe6 N52 O26 -","- C88 H80 B4 Fe6 N52 O26 -","- C88 H80 B4 Fe6 N52 O26 -","1","0.5","","Abhishake Mondal; Yanling Li; Patrick Herson; Mannan Seuleiman; Marie-Laure Boillot; Eric Riviere; Miguel Julve; Lionel Rechignat; Azzedine Bousseksou; Rodrigue Lescouezec","Photomagnetic effect in a mixed-valence {Fe II/2 Fe III/2} cyanide-bridged molecular square.","Chem.Commun.","2012","48","","5653","","10.1039/c2cc17835d","","","0.71073","MoKα","","0.0744","0.0633","","0.1975","0.1818","0.1951","","","","","","0.9607","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107747","13.0695","0.001","18.6034","0.0015","17.3068","0.0013","90","","110.768","0.008","90","","3934.5","0.6","163","2","163","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C80 H10 -","- C80.12 H10 -","- C320.48 H40 -","4","1","","Louise N. Dawe; Tayel AlHujran; Ahn-Huu Tran; Jason I. Mercer; Edward A. Jackson; Lawrence T.Scott; Paris E. Georghiou","'Corannulene and its pentaalkylated derivative form stable solid-state complexes with pristine C60-fullerene'","Chem.Commun.","2012","48","","5563","","10.1039/c2cc30652b","","","0.71075","MoKα","","0.1897","0.1551","","","0.4545","0.4859","","","","","","2.112","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107748","21.975","0.006","15.264","0.004","23","0.007","90","","117.783","0.005","90","","6825","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C109 H56 Cl3 -","- C109 H56 Cl3 -","- C436 H224 Cl12 -","4","1","","Louise N. Dawe; Tayel AlHujran; Ahn-Huu Tran; Jason I. Mercer; Edward A. Jackson; Lawrence T.Scott; Paris E. Georghiou","'Corannulene and its pentaalkylated derivative form stable solid-state complexes with pristine C60-fullerene'","Chem.Commun.","2012","48","","5563","","10.1039/c2cc30652b","","","1.54178","CuKα","","0.1648","0.1184","","","0.3145","0.3355","","","","","","1.05","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107749","11.5601","0.0009","17.6684","0.0014","14.8072","0.0012","90","","105.726","0.004","90","","2911.1","0.4","143","1","143","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C60 H78 Dy K N8 O8 -","- C60 H78 Dy K N8 O8 -","- C120 H156 Dy2 K2 N16 O16 -","2","0.5","","Ursula J.Williams; Brian D. Mahoney; Patrick T. DeGregorio; Patrick Carroll; Eiko Nakamaru-Ogiso; James M.Kikkawa; Eric J. Schelter","A comparison of the effects of symmetry and magnetoanisotropy on paramagnetic relaxation in related dysprosium single ion magnets","Chem.Commun.","2012","48","","5593","","10.1039/c2cc31227a","","","0.71073","MoKα","","0.0214","0.0175","","","0.0427","0.0442","","","","","","1.031","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107750","23.03","0.004","11.422","0.002","44.36","0.009","90","","91.414","0.006","90","","11665","4","143","1","143","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52 H64 Dy K N8 O4 -","- C52 H64 Dy K N8 O4 -","- C416 H512 Dy8 K8 N64 O32 -","8","2","","Ursula J.Williams; Brian D. Mahoney; Patrick T. DeGregorio; Patrick Carroll; Eiko Nakamaru-Ogiso; James M.Kikkawa; Eric J. Schelter","A comparison of the effects of symmetry and magnetoanisotropy on paramagnetic relaxation in related dysprosium single ion magnets","Chem.Commun.","2012","48","","5593","","10.1039/c2cc31227a","","","0.71073","MoKα","","0.0746","0.0662","","","0.1378","0.1404","","","","","","1.207","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107751","9.5854","0.0005","10.369","0.0006","14.3676","0.0007","83.969","0.002","71.762","0.002","72.577","0.002","1293.95","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Cl3 F N4 O Pd -","- C25 H24 Cl3 F N4 O Pd -","- C50 H48 Cl6 F2 N8 O2 Pd2 -","2","1","","Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee","Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group","Chem.Commun.","2012","48","","5632","","10.1039/c2cc31299a","","x-ray","0.71073","MoKα","","0.0763","0.0466","","","0.0931","0.1048","","","","","","1.04","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107752","9.334","0.0004","10.4256","0.0004","18.9156","0.0008","80.502","0.003","77.272","0.002","68.741","0.002","1665.96","0.12","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H32 Cl F N3 O P Pd -","- C37 H32 Cl F N3 O P Pd -","- C74 H64 Cl2 F2 N6 O2 P2 Pd2 -","2","1","","Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee","Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group","Chem.Commun.","2012","48","","5632","","10.1039/c2cc31299a","","x-ray","0.71073","MoKα","","0.0888","0.0529","","","0.0899","0.1013","","","","","","1.019","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107753","14.5982","0.0011","16.6492","0.0013","17.5208","0.0015","81.635","0.006","70.792","0.005","82.732","0.004","3964.4","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H44 Cl F N4 O2.5 P Pd -","- C42 H44 Cl F N4 O2.5 P Pd -","- C168 H176 Cl4 F4 N16 O10 P4 Pd4 -","4","2","","Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee","Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group","Chem.Commun.","2012","48","","5632","","10.1039/c2cc31299a","","x-ray","0.71073","MoKα","","0.1504","0.0588","","","0.1051","0.1387","","","","","","0.975","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7107754","9.8587","0.0002","11.1511","0.0003","15.017","0.0004","80.665","0.002","89.264","0.002","73.218","0.002","1558.65","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H29 Cl3 N4 O Pd -","- C34 H29 Cl3 N4 O Pd -","- C68 H58 Cl6 N8 O2 Pd2 -","2","1","","Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee","Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group","Chem.Commun.","2012","48","","5632","","10.1039/c2cc31299a","","x-ray","0.71073","MoKα","","0.0988","0.0631","","","0.1457","0.1592","","","","","","1.082","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107755","12.507","0.006","13.088","0.012","14.438","0.007","103.747","0.009","115.434","0.006","90.425","0.009","2057","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H44 Cl N4 O2 P Pd -","- C49 H44 Cl N4 O2 P Pd -","- C98 H88 Cl2 N8 O4 P2 Pd2 -","2","1","","Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee","Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group","Chem.Commun.","2012","48","","5632","","10.1039/c2cc31299a","","x-ray","0.71073","MoKα","","0.1047","0.0663","","","0.1621","0.1846","","","","","","1.01","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107756","9.4686","0.0011","11.5276","0.0014","13.1627","0.0016","90.963","0.007","106.242","0.006","94.606","0.007","1373.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 Cl2 F2 N10 O6 Pd2 -","- C52 H66 Cl2 F2 N10 O6 Pd2 -","- C52 H66 Cl2 F2 N10 O6 Pd2 -","1","0.5","","Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee","Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group","Chem.Commun.","2012","48","","5632","","10.1039/c2cc31299a","","x-ray","0.71073","MoKα","","0.0662","0.0514","","","0.1265","0.1371","","","","","","0.999","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107757","5.2806","0.0002","8.1975","0.0002","37.8235","0.0011","90","","90","","90","","1637.29","0.09","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C76 H64 Br4 N4 O8 -","4","1","","Utpal Das; Chan-Hui Huang; Wenwei Lin","Enantioselective synthesis of substituted pyrans via amine-catalyzed Michael addition and subsequent enolization/cyclisation","Chem.Commun.","2012","48","","5590","","10.1039/c2cc31445b","","","0.71073","MoKα","","0.0391","0.03","","","0.0598","0.0627","","","","","","0.982","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107758","5.5785","0.0004","15.6744","0.0008","22.2663","0.0014","90","","90","","90","","1947","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O2 -","- C22 H20 Br N O2 -","- C88 H80 Br4 N4 O8 -","4","1","","Utpal Das; Chan-Hui Huang; Wenwei Lin","Enantioselective synthesis of substituted pyrans via amine-catalyzed Michael addition and subsequent enolization/cyclisation","Chem.Commun.","2012","48","","5590","","10.1039/c2cc31445b","","","0.71073","MoKα","","0.1278","0.05","","","0.0755","0.0922","","","","","","0.934","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107759","11.1949","0.0018","6.3676","0.001","18.385","0.003","90","","105.512","0.002","90","","1262.8","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C48 H56 N8 O24 -","4","1","","Christopher S. Theile; Larry W. McLaughlin","An Efficient Synthetic Approach to 6,5' (<i>S</i>) and 6,5' (<i>R</i>) - Cyclouridine","Chem.Commun.","2012","48","","5587","","10.1039/c2cc31597a","","","0.71073","MoKα","","0.0421","0.039","","","0.0952","0.0972","","","","","","1.057","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107760","9.549","0.007","7.829","0.005","10.026","0.007","90","","108.14","0.007","90","","712.3","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O9 -","- C13 H16 N2 O9 -","- C26 H32 N4 O18 -","2","1","","Christopher S. Theile; Larry W. McLaughlin","An Efficient Synthetic Approach to 6,5' (<i>S</i>) and 6,5' (<i>R</i>) - Cyclouridine","Chem.Commun.","2012","48","","5587","","10.1039/c2cc31597a","","","0.71073","MoKα","","0.0998","0.0577","","","0.104","0.1178","","","","","","1","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107761","12.29","0.004","5.9017","0.0017","16.991","0.005","90","","104.225","0.005","90","","1194.6","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl N O2 S -","- C28 H24 Cl N O2 S -","- C56 H48 Cl2 N2 O4 S2 -","2","1","","Honggang Cheng; Liang-Qiu Lu; Tao Wang; Jia-Rong Chen; Wen-Jing Xiao","Design of chiral sulfoxide-Schiff base hybrids and their application in Cu-catalyzed asymmetric Henry reactions","Chem.Commun.","2012","48","","5596","","10.1039/c2cc31907a","","","0.71073","MoKα","","0.0533","0.0432","","","0.1129","0.1252","","","","","","1.125","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107762","16.1189","0.0008","9.4946","0.0005","21.3361","0.0012","90","","100.876","0.002","90","","3206.7","0.3","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C88 H72 -","- C88 H72 -","- C176 H144 -","2","0.5","","Akihiro Shimizu; Yasukazu Hirao; Kozo Matsumoto; Hiroyuki Kurata; Takashi Kubo; Mikio Uruichi; Kyuya Yakushi","Aromaticity and pi-bond covalency: Strong intermolecular covalent bonding interaction of a Kekule hydrocarbon with very large singlet biradical character","Chem.Commun.","2012","48","","5629","","10.1039/c2cc31955a","","","0.71075","MoKα","","0.1337","0.0698","","","0.1869","0.2289","","","","","","0.988","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107763","10.152","0.002","11.5617","0.0018","11.94","0.002","90.925","0.005","96.852","0.007","108.851","0.006","1314.6","0.4","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C78 H52 -","- C78 H52 -","- C78 H52 -","1","0.5","","Akihiro Shimizu; Yasukazu Hirao; Kozo Matsumoto; Hiroyuki Kurata; Takashi Kubo; Mikio Uruichi; Kyuya Yakushi","Aromaticity and pi-bond covalency: Strong intermolecular covalent bonding interaction of a Kekule hydrocarbon with very large singlet biradical character","Chem.Commun.","2012","48","","5629","","10.1039/c2cc31955a","","","0.71075","MoKα","","0.087","0.0673","","","0.193","0.2018","","","","","","1.185","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107764","10.012","0.004","10.685","0.004","11.953","0.004","102.786","0.004","91.396","0.005","100.23","0.005","1224.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 Cl2 O -","- C30 H26 Cl2 O -","- C60 H52 Cl4 O2 -","2","1","","Huanhuan Wang; Yong Luo; Biao Zhu; Jie Wu","Generation of cyclopenta[c]chromenes via a palladium-catalyzed reaction of 2-alkynylphenol with 2-alkynylvinyl bromide","Chem.Commun.","2012","48","","5581","","10.1039/c2cc32077k","","","0.71073","MoKα","","0.0752","0.0438","","","0.1011","0.1127","","","","","","0.901","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107765","9.9123","0.0013","11.7727","0.0016","14.746","0.002","73.492","0.002","73.172","0.002","86.333","0.002","1578.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H86 Cl6 N6 O6 -","- C66 H86 Cl6 N6 O6 -","- C66 H86 Cl6 N6 O6 -","1","0.5","","Berná, Jose; Alajarín, Mateo; Martínez-Espín, Juan S.; Buriol, Lilian; Martins, Marcos A. P.; Orenes, Raúl-Ángel","Dampened circumrotation by CH⋯π interactions in hydrogen bonded [2]rotaxanes","Chemical Communications (Cambridge, United Kingdom)","2012","48","45","5677","5679","10.1039/c2cc32092d","","","0.71073","MoKα","","0.1065","0.083","","","0.1629","0.1736","","","","","","1.153","","","","has coordinates,has disorder","210826","2020-10-21","18:00:00",""
"7107766","14.93","0.07","9.11","0.04","21.95","0.1","90","","106.81","0.18","90","","2858","2","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","azoB","","","- C32 H34 N2 O6 -","- C32 H34 N2 O6 -","- C128 H136 N8 O24 -","4","1","","Masaki Yamamura; Yuki Okazaki; Tatsuya Nabeshima","Locking of Photoisomerization Behavior of Self-assemble Azobenzene-linked Macrocycles with Structural Restriction","Chem.Commun.","2012","48","","5724","","10.1039/c2cc18014f","","","0.71075","MoKα","","0.1445","0.1114","","","0.2674","0.2944","","","","","","1.011","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107767","8.7478","0.0007","11.7579","0.001","10.7912","0.0009","90","","106.206","0.002","90","","1065.83","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","2","","Chong Kiat Tan; Chen Cheng Le; Ying-Yeung Yeung","Enantioselective bromolactonization of cis-1,2-disubstituted olefinic acids using an amino-thiocarbamate catalyst","Chem.Commun.","2012","48","","5793","","10.1039/c2cc31148h","","","0.71073","MoKα","","0.063","0.0451","","","0.0969","0.1035","","","","","","0.965","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107768","12.4949","0.0012","7.7324","0.0008","14.7304","0.0016","90","","92.741","0.004","90","","1421.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N4 O4 -","- C13 H18 N4 O4 -","- C52 H72 N16 O16 -","4","1","","Philipp A. Ottersbach; Gregor Schnakenburg; Michael Gutschow","Induction of chirality: experimental evidence of atropisomerism in azapeptides","Chem.Commun.","2012","48","","5772","","10.1039/c2cc31161e","","","0.71073","MoKα","","0.0524","0.0389","","","0.0939","0.1016","","","","","","1.028","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107769","4.8613","0.0005","11.6939","0.0016","11.7674","0.0016","99.755","0.007","94.085","0.007","90.661","0.008","657.41","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N4 O4 -","- C12 H16 N4 O4 -","- C24 H32 N8 O8 -","2","1","","Philipp A. Ottersbach; Gregor Schnakenburg; Michael Gutschow","Induction of chirality: experimental evidence of atropisomerism in azapeptides","Chem.Commun.","2012","48","","5772","","10.1039/c2cc31161e","","","0.71073","MoKα","","0.099","0.0573","","","0.1342","0.1538","","","","","","1.034","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107770","10.7906","0.0002","15.68846","0.0002","16.9891","0.0007","90","","107.597","0.0007","90","","2741.47","0.13","20","2","20","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(abpt)2(NCS)2","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Chou-Fu Sheu; Che-Hsiu Shih; Kunihisa Sugimoto; Bing-Ming Cheng; Masaki Takata; Yu Wang","A long-lived photo-induced metastable state of linkage isomerization accompanied with a spin transition","Chem.Commun.","2012","48","","5715","","10.1039/c2cc31326j","","","0.49812","synchrotron","","0.0313","0.0287","","","0.079","0.0814","","","","","","1.051","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107771","10.721","0.00019","15.8909","0.00019","17.1861","0.0007","90","0.001","106.019","0.0007","90","0.001","2814.24","0.13","20","2","20","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(abpt)2(NCS)2","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Chou-Fu Sheu; Che-Hsiu Shih; Kunihisa Sugimoto; Bing-Ming Cheng; Masaki Takata; Yu Wang","A long-lived photo-induced metastable state of linkage isomerization accompanied with a spin transition","Chem.Commun.","2012","48","","5715","","10.1039/c2cc31326j","","","0.49812","synchrotron","","0.0416","0.0334","","","0.0912","0.0944","","","","","","1.055","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107772","10.6323","0.0003","15.8857","0.0004","17.2296","0.0007","90","","105.913","0.0007","90","","2798.58","0.16","20","2","20","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(abpt)2(NCS)2","","","- C26 H20 Fe N14 S2 -","- C25.9999 H20 Fe0.99995 N13.9999 S1.9999 -","- C104 H80 Fe3.9998 N55.9996 S7.9996 -","4","1","","Chou-Fu Sheu; Che-Hsiu Shih; Kunihisa Sugimoto; Bing-Ming Cheng; Masaki Takata; Yu Wang","A long-lived photo-induced metastable state of linkage isomerization accompanied with a spin transition","Chem.Commun.","2012","48","","5715","","10.1039/c2cc31326j","","","0.4959","synchrotron","","0.0573","0.0432","","","0.1061","0.1133","","","","","","1.048","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107773","10.6715","0.0006","15.8611","0.0002","17.1977","0.0006","90","","106.252","0.004","90","","2794.6","0.2","20","2","20","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(abpt)2(NCS)2","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Chou-Fu Sheu; Che-Hsiu Shih; Kunihisa Sugimoto; Bing-Ming Cheng; Masaki Takata; Yu Wang","A long-lived photo-induced metastable state of linkage isomerization accompanied with a spin transition","Chem.Commun.","2012","48","","5715","","10.1039/c2cc31326j","","","0.4959","synchrotron","","0.0612","0.0499","","","0.1278","0.1345","","","","","","0.995","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107774","8.1614","0.0003","10.0416","0.0004","13.4119","0.0006","83.023","0.003","74","0.003","78.171","0.003","1031.67","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl7 F N Pt -","- C16 H15 Cl7 F N Pt -","- C32 H30 Cl14 F2 N2 Pt2 -","2","1","","Sarah H. Crosby; Helen R. Thomas; Guy J. Clarkson; Jonathan P. Rourke","Concerted reductive coupling of an alkyl chloride at Pt(IV)","Chem.Commun.","2012","48","","5775","","10.1039/c2cc31572f","","","0.71073","MoKα","","0.0305","0.026","","","0.0532","0.054","","","","","","0.972","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107775","9.8916","0.0004","10.339","0.0005","13.0249","0.0004","103.566","0.004","95.759","0.003","105.831","0.004","1226.39","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C21.5 H31 Cl2 F N O3.5 Pt S -","- C21.5 H31 Cl2 F N O3.5 Pt S -","- C43 H62 Cl4 F2 N2 O7 Pt2 S2 -","2","1","","Sarah H. Crosby; Helen R. Thomas; Guy J. Clarkson; Jonathan P. Rourke","Concerted reductive coupling of an alkyl chloride at Pt(IV)","Chem.Commun.","2012","48","","5775","","10.1039/c2cc31572f","","","0.71073","MoKα","","0.0353","0.0302","","","0.0751","0.0762","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107776","41.3528","0.0018","41.3528","0.0018","18.2765","0.0015","90","","90","","120","","27067","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C28 H49 Cu4 N17 O19 S2 -","- C25 H28 Cu4 N16 O15 S2 -","- C450 H504 Cu72 N288 O270 S36 -","18","1","","Zhouqing Xu; Qiang Wang; Huijun Li; Wei Meng; Yi Han; Hongwei Hou; Yaoting Fan","Self-assembly of unprecedented [8 + 12] Cu-metallamacrocycle-based 3D metal-organic frameworks","Chem.Commun.","2012","48","","5736","","10.1039/c2cc31590d","","","0.71073","MoKα","","0.1004","0.0552","","","0.1523","0.1649","","","","","","0.998","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107777","34.4325","0.0012","34.4325","0.0012","13.0911","0.0009","90","","90","","120","","13441.4","1.1","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H33 Cu2 N7 O13 S2 -","- C13 H19 Cu2 N7 O7 S2 -","- C234 H342 Cu36 N126 O126 S36 -","18","1","","Zhouqing Xu; Qiang Wang; Huijun Li; Wei Meng; Yi Han; Hongwei Hou; Yaoting Fan","Self-assembly of unprecedented [8 + 12] Cu-metallamacrocycle-based 3D metal-organic frameworks","Chem.Commun.","2012","48","","5736","","10.1039/c2cc31590d","","","0.71073","MoKα","","0.0698","0.0568","","","0.1873","0.1985","","","","","","1.075","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107778","11.2918","0.0007","11.8315","0.0008","18.321","0.0012","98.082","0.005","102.992","0.005","97.181","0.005","2330","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N2 O4 Ti -","- C24 H36 N2 O4 Ti -","- C96 H144 N8 O16 Ti4 -","4","2","","Timo A. Immel; Martin Grutzke; Anne-Katrin Spate; Ulrich Groth; Peter Ohlschlager; Thomas Huhn","Synthesis and X-ray structure analysis of a heptacoordinate titanium(IV)-bis-chelate with enhanced in vivo antitumor efficacy","Chem.Commun.","2012","48","","5790","","10.1039/c2cc31624b","","","0.71073","MoKα","","0.0438","0.0333","","","0.0859","0.0892","","","","","","1.039","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107779","9.2989","0.0006","22.7397","0.0017","14.912","0.001","90","","122.978","0.004","90","","2645.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N3 O6 Ti -","- C29 H33 N3 O6 Ti -","- C116 H132 N12 O24 Ti4 -","4","1","","Timo A. Immel; Martin Grutzke; Anne-Katrin Spate; Ulrich Groth; Peter Ohlschlager; Thomas Huhn","Synthesis and X-ray structure analysis of a heptacoordinate titanium(IV)-bis-chelate with enhanced in vivo antitumor efficacy","Chem.Commun.","2012","48","","5790","","10.1039/c2cc31624b","","","0.71073","MoKα","","0.0543","0.0364","","","0.0794","0.0839","","","","","","1.02","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107780","17.3321","0.0007","10.0841","0.0004","22.7728","0.001","90","","91.785","0.002","90","","3978.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 B Br N2 -","- C36 H46 B Br N2 -","- C144 H184 B4 Br4 N8 -","4","0.5","","Sarah Robinson; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Alkali-metal mediated reactivity of a diaminobromoborane: mono- and bis-borylation of naphthalene versus boryl lithium or hydroborane formation","Chem.Commun.","2012","48","","5769","","10.1039/c2cc31758c","","","0.71073","MoKα","","0.0567","0.0419","","","0.1059","0.1106","","","","","","1.053","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107781","10.8044","0.0003","14.1728","0.0004","25.768","0.0007","90","","98.594","0.003","90","","3901.51","0.19","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H57 B N2 -","- C46 H57 B N2 -","- C184 H228 B4 N8 -","4","1","","Sarah Robinson; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Alkali-metal mediated reactivity of a diaminobromoborane: mono- and bis-borylation of naphthalene versus boryl lithium or hydroborane formation","Chem.Commun.","2012","48","","5769","","10.1039/c2cc31758c","","","1.54184","CuKα","","0.0895","0.0716","","","0.1737","0.1861","","","","","","1.082","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107782","8.9943","0.0004","15.0193","0.0008","15.0285","0.0007","116.671","0.005","90.773","0.004","96.829","0.004","1796.17","0.17","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H106 B2 N4 -","- C82 H106 B2 N4 -","- C82 H106 B2 N4 -","1","0.5","","Sarah Robinson; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Alkali-metal mediated reactivity of a diaminobromoborane: mono- and bis-borylation of naphthalene versus boryl lithium or hydroborane formation","Chem.Commun.","2012","48","","5769","","10.1039/c2cc31758c","","","1.5418","CuKα","","0.104","0.0797","","","0.231","0.248","","","","","","1","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107783","10.3828","0.0007","23.8027","0.0017","17.1319","0.0012","90","","91.779","0.001","90","","4231.9","0.5","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 B Li N2 O2 -","- C44 H66 B Li N2 O2 -","- C176 H264 B4 Li4 N8 O8 -","4","1","","Sarah Robinson; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Alkali-metal mediated reactivity of a diaminobromoborane: mono- and bis-borylation of naphthalene versus boryl lithium or hydroborane formation","Chem.Commun.","2012","48","","5769","","10.1039/c2cc31758c","","","0.71073","MoKα","","0.0874","0.0639","","","0.1445","0.1555","","","","","","1.139","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107784","12.866","0.002","14.546","0.003","17.544","0.003","90","","90","","90","","3283.3","1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H51 B N2 -","- C36 H51 B N2 -","- C144 H204 B4 N8 -","4","0.5","","Sarah Robinson; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Alkali-metal mediated reactivity of a diaminobromoborane: mono- and bis-borylation of naphthalene versus boryl lithium or hydroborane formation","Chem.Commun.","2012","48","","5769","","10.1039/c2cc31758c","","","0.71073","MoKα","","0.145","0.0842","","","0.214","0.257","","","","","","1.03","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107785","9.369","0.0003","10.7722","0.0003","11.8003","0.0005","106.662","0.002","102.457","0.002","113.512","0.002","969.54","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N S -","- C10 H15 N S -","- C40 H60 N4 S4 -","4","2","","Manohar Puppala; Annamalai Murali; Sundarababu Baskaran","Concise Synthesis of Bridged Azatricyclic Framework via Domino Semipinacol-Schmidt Reaction","Chem.Commun.","2012","48","46","5778","5780","10.1039/c2cc31906c","","","0.71073","MoKα","","0.103","0.0516","","","0.1482","0.1801","","","","","","1.041","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107786","12.0985","0.0009","7.6709","0.0003","18.3347","0.0013","90","","100.317","0.002","90","","1674.07","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O4 P2 -","- C18 H14 O4 P2 -","- C72 H56 O16 P8 -","4","1","","Amy J. Saunders; Ian R. Crossley; Martyn P. Coles; S. Mark Roe","Facile self-assembly of the first diphosphametacyclophane","Chem.Commun.","2012","48","","5766","","10.1039/c2cc32247a","","x-ray","0.71073","MoKα","","0.0894","0.053","","","0.1334","0.1699","","","","","","1.153","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107787","10.4564","0.0004","11.3437","0.0006","11.5627","0.0007","87.512","0.003","69.834","0.003","64.064","0.003","1148.36","0.11","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C44 H44 Cl2 O10 P4 Pt -","- C44 H44 Cl2 O10 P4 Pt -","- C44 H44 Cl2 O10 P4 Pt -","1","0.5","","Amy J. Saunders; Ian R. Crossley; Martyn P. Coles; S. Mark Roe","Facile self-assembly of the first diphosphametacyclophane","Chem.Commun.","2012","48","","5766","","10.1039/c2cc32247a","","x-ray","0.71073","MoKα","","0.0264","0.0261","","","0.0653","0.0656","","","","","","1.077","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107788","14.5514","0.0016","16.0909","0.0017","15.7159","0.0017","90","","112.017","0.001","90","","3411.4","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H58 Br Fe N2 O4 -","- C80 H52 Br Fe N2 O4 -","- C160 H104 Br2 Fe2 N4 O8 -","2","1","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.1097","0.0986","","","0.2757","0.288","","","","","","1.259","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107789","18.3252","0.001","18.3252","0.001","37.083","0.004","90","","90","","90","","12453","1.7","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C136 H92 Fe2 N4 O5 -","- C136 H92 Fe2 N4 O5 -","- C544 H368 Fe8 N16 O20 -","4","0.5","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.0988","0.0802","","","0.2318","0.253","","","","","","1.141","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107790","13.0266","0.0013","19.7736","0.0019","28.953","0.003","90","","90","","90","","7457.8","1.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C147 H234 Fe4 N8 O13 -","- C147 H230 Fe4 N8 O13 -","- C294 H460 Fe8 N16 O26 -","2","0.5","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.1282","0.0873","","","0.1792","0.192","","","","","","1.183","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107791","12.5225","0.0014","25.289","0.003","15.7743","0.0018","90","","95.27","0.002","90","","4974.3","1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C113 H92 Cl2 Fe2 N4 O8 -","- C113 H80 Cl2 Fe2 N4 O8 -","- C226 H160 Cl4 Fe4 N8 O16 -","2","1","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.1165","0.0889","","","0.2473","0.2713","","","","","","1.03","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107792","26.435","0.004","12.5897","0.0017","18.562","0.005","90","","125.357","0.001","90","","5038.2","1.7","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C102 H92 Fe2 N4 O9 -","- C102 H62 Fe2 N4 O9 -","- C204 H124 Fe4 N8 O18 -","2","0.5","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.0925","0.084","","","0.2407","0.252","","","","","","1.106","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107793","14.237","0.002","19.981","0.003","22.218","0.003","90","","90","","90","","6320.3","1.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C79 H62 Br Cl2 Fe N2 O5 -","- C79 H60 Br Cl2 Fe N2 O5 -","- C316 H240 Br4 Cl8 Fe4 N8 O20 -","4","1","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.0561","0.0444","","","0.1093","0.1157","","","","","","1.013","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107794","13.6693","0.0014","25.349","0.003","27.02","0.003","90","","90","","90","","9362.5","1.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C111 H86.5 Br1.5 Fe2 N4 O6.5 -","- C111 H75.418 Br1.5 Fe2 N4 O6.5 -","- C444 H301.672 Br6 Fe8 N16 O26 -","4","1","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.1372","0.1061","","","0.2848","0.3152","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107795","5.413","0.002","17.675","0.007","7.539","0.003","90","","96.083","0.005","90","","717.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-amino-6-bromo-4-(nitromethyl)-4H-chromene-3-carboxylate","","- C13 H13 Br N2 O5 -","- C13 H13 Br N2 O5 -","- C26 H26 Br2 N4 O10 -","2","1","","Gaosheng; Yang; Yang Gaosheng; Chongrong Luo; Xiaolong Mu; Tingting Wang; Xin-Yuan Liu","Highly efficient enantioselective three-component synthesis of 2-amino-4H-chromenes catalysed by chiral tertiary amine-thioureas","Chem.Commun.","2012","48","","5880","","10.1039/c2cc30731f","","","0.71073","MoKα","","0.0736","0.0547","","","0.143","0.1541","","","","","","0.988","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107796","9.397","0.006","5.142","0.003","12.852","0.008","90","","109.634","0.007","90","","584.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Amino-6-bromo-4-(nitromethyl)-4H-chromene-3-carbonitrile","","- C11 H8 Br N3 O3 -","- C11 H8 Br N3 O3 -","- C22 H16 Br2 N6 O6 -","2","1","","Gaosheng; Yang; Yang Gaosheng; Chongrong Luo; Xiaolong Mu; Tingting Wang; Xin-Yuan Liu","Highly efficient enantioselective three-component synthesis of 2-amino-4H-chromenes catalysed by chiral tertiary amine-thioureas","Chem.Commun.","2012","48","","5880","","10.1039/c2cc30731f","","","0.71073","MoKα","","0.1457","0.0811","","","0.1854","0.2211","","","","","","0.889","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107797","11.833","0.004","9.268","0.003","7.28","0.002","90","","95.842","0.004","90","","794.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Imino-2H-chromene-3-carbonitrile","","- C10 H6 N2 O -","- C10 H6 N2 O -","- C40 H24 N8 O4 -","4","1","","Gaosheng; Yang; Yang Gaosheng; Chongrong Luo; Xiaolong Mu; Tingting Wang; Xin-Yuan Liu","Highly efficient enantioselective three-component synthesis of 2-amino-4H-chromenes catalysed by chiral tertiary amine-thioureas","Chem.Commun.","2012","48","","5880","","10.1039/c2cc30731f","","","0.71073","MoKα","","0.0623","0.0534","","","0.16","0.1717","","","","","","1.063","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107798","25.502","0.004","25.502","0.004","49.611","0.007","90","","90","","90","","32265","8","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","IFMC-10","","","- C54 H48 N2 O14 Zn2 -","- C51 H39 O10 Zn2 -","- C816 H624 O160 Zn32 -","16","1","","Lei Chen; Ke Tan; Ya-Qian Lan; Shun-Li Li; Kui-Zhan Shao; Zhong-Min Su","Unusual microporous polycatenane-like metal-organic frameworks for the luminescent sensing of Ln3+ cations and rapid adsorption of iodine","Chem.Commun.","2012","48","","5919","","10.1039/c2cc31257c","","","0.71069","MoKα","","0.2846","0.0906","","","0.2611","0.325","","","","","","0.894","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107799","24.337","0.003","24.337","0.003","39.257","0.004","90","","90","","90","","23252","5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","IFMC-11","","","- C39.63 H36.38 N1.19 O13.19 Zn2 -","- C39 H33 O10 Zn2 -","- C624 H528 O160 Zn32 -","16","1","","Lei Chen; Ke Tan; Ya-Qian Lan; Shun-Li Li; Kui-Zhan Shao; Zhong-Min Su","Unusual microporous polycatenane-like metal-organic frameworks for the luminescent sensing of Ln3+ cations and rapid adsorption of iodine","Chem.Commun.","2012","48","","5919","","10.1039/c2cc31257c","","","0.71069","MoKα","","0.2642","0.1497","","","0.3887","0.4431","","","","","","1.227","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107800","10.711","0.001","11.5603","0.0011","18.6159","0.0016","76.538","0.006","90.023","0.006","62.401","0.007","1970.9","0.3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","1,2,6,6a,7,8,14,14a-octahydrobenzo[f]naphtho[2,1-c]cinnoline- 9,12(5H,13H)-dihydrazone, Solvate with Ethanol and Water","","- C42 H56 N12 O2 -","- C42 H54.5 N12 O2 -","- C84 H109 N24 O4 -","2","1","","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Krautscheid, Harald; Zhylenko, Iryna S.; Rusanov, Eduard B.; Chernega, Alexander N.","Facile access to a series of large polycondensed pyridazines and their utility for the supramolecular synthesis of coordination polymers","Chem.Commun.","2012","48","","5847","","10.1039/c2cc31770b","","","0.71073","MoKα","","0.0817","0.0562","","","0.1328","0.1402","","","","","","0.88","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7107801","17.8207","0.0006","6.1397","0.0002","24.7531","0.0008","90","","100.451","0.001","90","","2663.4","0.15","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,6,6a,7,7a,8,9,17,17a,18,18a-dodecahydroanthra[2,1-c]naphtho- [2,3-f]cinnoline-10,15(5H,16H)-dihydrazone, Ethanol solvate","","- C30 H38 N6 O -","- C30 H38 N6 O -","- C120 H152 N24 O4 -","4","1","","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Krautscheid, Harald; Zhylenko, Iryna S.; Rusanov, Eduard B.; Chernega, Alexander N.","Facile access to a series of large polycondensed pyridazines and their utility for the supramolecular synthesis of coordination polymers","Chem.Commun.","2012","48","","5847","","10.1039/c2cc31770b","","","0.71073","MoKα","","0.1013","0.0701","","","0.196","0.214","","","","","","1.077","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7107802","5.0227","0.0005","13.5312","0.0014","12.4146","0.0015","90","","94.498","0.008","90","","841.14","0.16","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,4a,5,6,9,10,10a,11,12-decahydroanthra [1,9,8-cdef:5,10,4-cdef]dicinnoline, Dihydrate","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C40 H44 N8 O4 -","2","0.5","","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Krautscheid, Harald; Zhylenko, Iryna S.; Rusanov, Eduard B.; Chernega, Alexander N.","Facile access to a series of large polycondensed pyridazines and their utility for the supramolecular synthesis of coordination polymers","Chem.Commun.","2012","48","","5847","","10.1039/c2cc31770b","","","0.71073","MoKα","","0.0671","0.0427","","","0.1129","0.1184","","","","","","0.882","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7107803","22.3792","0.0002","22.3792","0.0002","13.1261","0.0003","90","","90","","90","","6573.93","0.17","173","2","173","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","(3,4,4a,5,6,9,10,10a,11,12-decahydroanthra [1,9,8-cdef:5,10,4-cdef]dicinnoline)diiododicopper(I), Solvate with Acetonitrile and Chloroform","","- C23 H22 Cl3 Cu2 I2 N5 -","- C21 H19 Cl3 Cu2 I2 N4 -","- C168 H152 Cl24 Cu16 I16 N32 -","8","0.25","","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Krautscheid, Harald; Zhylenko, Iryna S.; Rusanov, Eduard B.; Chernega, Alexander N.","Facile access to a series of large polycondensed pyridazines and their utility for the supramolecular synthesis of coordination polymers","Chem.Commun.","2012","48","","5847","","10.1039/c2cc31770b","","","0.71073","MoKα","","0.0846","0.0457","","","0.1126","0.1255","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7107804","15.9327","0.0009","15.9327","0.0009","12.4522","0.001","90","","90","","90","","3161","0.4","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(3,4,4a,5,6,9,10,10a,11,12-decahydroanthra [1,9,8-cdef:5,10,4-cdef]dicinnoline)dichlorodicopper(I), Solvate with 4 Acetonitrile","","- C28 H30 Cl2 Cu2 N8 -","- C24 H24 Cl2 Cu2 N6 -","- C96 H96 Cl8 Cu8 N24 -","4","0.5","","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Krautscheid, Harald; Zhylenko, Iryna S.; Rusanov, Eduard B.; Chernega, Alexander N.","Facile access to a series of large polycondensed pyridazines and their utility for the supramolecular synthesis of coordination polymers","Chem.Commun.","2012","48","","5847","","10.1039/c2cc31770b","","","0.71073","MoKα","","0.0591","0.0384","","","0.0959","0.1019","","","","","","0.835","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7107805","5.986","0.004","7.803","0.005","17.433","0.011","85.512","0.011","82.285","0.01","85.93","0.011","802.9","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O2 -","- C24 H14 O2 -","- C48 H28 O4 -","2","1","","Kazuki Niimi; Hiroki Mori; Eigo Miyazaki; Itaru Osaka; Hayato Kakizoe; Kazuo Takimiya; Chihaya Adachi","[2,2']Bi[naphtho[2,3-b]furanyl]: a versatile organic semiconductor with a furan-furan junction","Chem.Commun.","2012","48","","5892","","10.1039/c2cc31960h","","","0.7107","MoKα","","0.0835","0.0557","","","0.141","0.1605","","","","","","0.89","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107806","11.061","0.004","11.333","0.004","16.323","0.005","90","","90","","90","","2046.2","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","1","","Daniel Morton; Allison R. Dick; Debashis Ghosh; Huw M. L. Davies","Convenient method for the functionalization of the 4- and 6-positions of the androgen skeleton","Chem.Commun.","2012","48","","5838","","10.1039/c2cc31973j","","","1.54178","CuKα","","0.2368","0.081","","","0.148","0.197","","","","","","1.016","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107807","12.4867","0.0007","8.0814","0.0006","16.3838","0.0009","90","","90","","90","","1653.29","0.18","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H22 B2 N2 -","- C18 H22 B2 N2 -","- C72 H88 B8 N8 -","4","0.5","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0752","0.0443","","","0.092","0.1024","","","","","","1.052","","","","has coordinates","211021","2020-10-21","18:00:00",""
"7107808","18.1734","0.0015","9.3798","0.0007","24.6564","0.0018","90","","95.039","0.006","90","","4186.8","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 B2 Br N3 -","- C20 H30 B2 Br N3 -","- C160 H240 B16 Br8 N24 -","8","1","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0569","0.037","","","0.081","0.0867","","","","","","0.939","","","","has coordinates","211021","2020-10-21","18:00:00",""
"7107809","15.8266","0.0009","12.0793","0.0008","9.903","0.0006","90","","90","","90","","1893.2","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H24 B2 Cl2 N2 -","- C18 H24 B2 Cl2 N2 -","- C72 H96 B8 Cl8 N8 -","4","1","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0305","0.0262","","","0.0569","0.0578","","","","","","0.967","","","","has coordinates","211021","2020-10-21","18:00:00",""
"7107810","12.1883","0.0006","15.1818","0.0008","16.1826","0.0008","110.842","0.004","106.505","0.004","98.129","0.004","2583.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22.5 H24.5 B2 Cl1.5 F6 N2 O4 -","- C22.5 H24.5 B2 Cl1.5 F6 N2 O4 -","- C90 H98 B8 Cl6 F24 N8 O16 -","4","2","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0748","0.0569","","","0.15","0.1597","","","","","","1.05","","","","has coordinates,has disorder","211021","2020-10-21","18:00:00",""
"7107811","26.6672","0.0006","8.5931","0.0002","10.7151","0.0002","90","","90","","90","","2455.41","0.09","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H28 B2 N4 S2 -","- C26 H28 B2 N4 S2 -","- C104 H112 B8 N16 S8 -","4","1","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0424","0.041","","","0.109","0.1099","","","","","","1.106","","","","has coordinates","211021","2020-10-21","18:00:00",""
"7107812","10.54","0.0008","10.0952","0.0006","14.5231","0.0013","90","","94.236","0.007","90","","1541.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N2 S -","- C6 H10 N2 S -","- C48 H80 N16 S8 -","8","2","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0437","0.0342","","","0.0881","0.0919","","","","","","1.051","","","","has coordinates","211021","2020-10-21","18:00:00",""
"7107813","37.905","0.003","37.905","0.003","35.309","0.003","90","","90","","90","","50732","7","296","2","296","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C134 H329 Ag34 F6 N O45 S26 W6 -","- C106 H234 Ag34 F3 O23 S26 W6 -","- C848 H1872 Ag272 F24 O184 S208 W48 -","8","1","","Kun Zhou; Chao Qin; Hai-Bin Li; Li-Kai Yan; Xin-Long Wang; Guo-Gang Shan; Zhong-Min Su; Chuang Xu; Xiu-Li Wang","Assembly of a luminescent core-shell nanocluster featuring a Ag34S26 shell and a W6O21^6-^ polyoxoanion core","Chem.Commun.","2012","48","","5844","","10.1039/c2cc32321d","","","0.71073","MoKα","","0.1954","0.0649","","","0.1394","0.1984","","","","","","1","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107814","28.663","0.011","11.665","0.004","28.056","0.011","90","","115.997","0.009","90","","8431","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H113 N7 O12 -","- C93 H113 N7 O12 -","- C372 H452 N28 O48 -","4","1","","David A. Leigh; Paul J. Lusby; Alexandra M. Z. Slawin; D. Barney Walker","Half-rotation in a kinetically locked [2]catenane induced by transition metal ion substitution","Chem.Commun.","2012","48","","5826","","10.1039/c2cc32418k","","","1.54178","CuKα","","0.1798","0.1259","","","0.3598","0.41","","","","","","1.288","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107815","13.579","0.002","17.669","0.003","19.456","0.003","77.683","0.008","74.61","0.008","81.063","0.008","4372.8","1.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H117 N9 O12 Pd -","- C97 H117 N9 O12 Pd -","- C194 H234 N18 O24 Pd2 -","2","1","","David A. Leigh; Paul J. Lusby; Alexandra M. Z. Slawin; D. Barney Walker","Half-rotation in a kinetically locked [2]catenane induced by transition metal ion substitution","Chem.Commun.","2012","48","","5826","","10.1039/c2cc32418k","","","0.71073","MoKα","","0.1641","0.1191","","","0.2963","0.3327","","","","","","0.956","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107816","18.303","0.004","46.917","0.011","91.25","0.02","90","","90","","90","","78358","3","180","2","180","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C237 H246 Ce4 N44 O60 -","- C237.06 H196.28 Ce4 N44.04 O60.08 -","- C1896.48 H1570.24 Ce32 N352.32 O480.64 -","8","0.25","","Yang Jiao; Jing Zhang; Lejie Zhang; Zhihua Lin; Cheng He; Chun-ying Duan","Metal-organic polyhedra containing 36 and 24 folds of amide groups for selective luminescent recognition of natural disaccharides","Chem.Commun.","2012","48","","6022","","10.1039/c2cc30497j","","","0.71073","MoKα","","0.2156","0.0959","","","0.2232","0.2497","","","","","","1.036","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107817","27.2839","0.0014","42.094","0.003","46.93","0.003","67.993","0.004","80.406","0.004","89.908","0.004","49163","6","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C377 H416 Ce8 N82 O111 -","- C377 H216 Ce8 N82 O111 -","- C754 H432 Ce16 N164 O222 -","2","1","","Yang Jiao; Jing Zhang; Lejie Zhang; Zhihua Lin; Cheng He; Chun-ying Duan","Metal-organic polyhedra containing 36 and 24 folds of amide groups for selective luminescent recognition of natural disaccharides","Chem.Commun.","2012","48","","6022","","10.1039/c2cc30497j","","","0.71073","MoKα","","0.3016","0.1248","","","0.2634","0.3087","","","","","","0.807","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107818","18.582","0.003","18.646","0.003","24.646","0.004","90","","90","","90","","8539","2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","potassium aluminium-octadecaniobate","","","- Al H63 K14 Nb18 O85 -","- Al K14 Nb18 O85 -","- Al4 K56 Nb72 O340 -","4","1","","Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman","Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions","Chem.Commun.","2012","48","","6004","","10.1039/c2cc31284k","","","0.71073","MoKα","","0.046","0.0414","","","0.1019","0.105","","","","","","1.088","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107819","18.6023","0.0018","18.6225","0.0018","24.567","0.002","90","","90","","90","","8510.5","1.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- Ga H62 K14 Na Nb18 O85 -","- Ga K14 Na Nb18 O85 -","- Ga4 K56 Na4 Nb72 O340 -","4","1","","Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman","Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions","Chem.Commun.","2012","48","","6004","","10.1039/c2cc31284k","","","0.71073","MoKα","","0.0271","0.0253","","","0.0621","0.0632","","","","","","1.102","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107820","15.0863","0.0001","17.94","0.0012","19.1713","0.0013","63.539","0.001","82.135","0.001","79.927","0.001","4563.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","rubidium gallium-octadecaniobate","","","- Ga H70 Nb18 O89 Rb15 -","- Ga Nb18 O89 Rb15 -","- Ga2 Nb36 O178 Rb30 -","2","1","","Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman","Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions","Chem.Commun.","2012","48","","6004","","10.1039/c2cc31284k","","","0.71073","MoKα","","0.0433","0.0321","","","0.0741","0.0787","","","","","","1.015","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107821","16.8515","0.0013","16.8515","0.0013","28.919","0.003","90","","90","","90","","8212.2","1.2","193","2","193","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","Cesium gallium-octadecaniobate","","","- Cs13 Ga H24 Na2 Nb18 O66 -","- Cs13 Ga Na2 Nb18 O66 -","- Cs52 Ga4 Na8 Nb72 O264 -","4","0.25","","Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman","Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions","Chem.Commun.","2012","48","","6004","","10.1039/c2cc31284k","","","0.71073","MoKα","","0.0594","0.0531","","","0.1553","0.1624","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107822","16.0969","0.0004","22.4367","0.0005","27.7516","0.0007","90","","90","","90","","10022.8","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84.5 H136 B2 Cl6 O28 P2 -","- C84.5 H136 B2 Cl6 O28 P2 -","- C338 H544 B8 Cl24 O112 P8 -","4","1","","Matthieu Jouffroy; Rafael Gramage-Doria; Dominique Armspach; Dominique Matt; Loic Toupet","Regioselective opening of proximally sulfato-capped cyclodextrins","Chem.Commun.","2012","48","","6028","","10.1039/c2cc31302b","","","0.71073","MoKα","","0.2114","0.0935","","","0.2283","0.2645","","","","","","0.932","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107823","15.297","0.001","15.7262","0.0008","16.671","0.001","90","","90.778","0.006","90","","4010.1","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H116 Cl N O32 -","- C68 H116 Cl N O32 -","- C136 H232 Cl2 N2 O64 -","2","1","","Matthieu Jouffroy; Rafael Gramage-Doria; Dominique Armspach; Dominique Matt; Loic Toupet","Regioselective opening of proximally sulfato-capped cyclodextrins","Chem.Commun.","2012","48","","6028","","10.1039/c2cc31302b","","","0.71073","MoKα","","0.1298","0.068","","","0.1679","0.1911","","","","","","0.83","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107824","9.2854","0.0004","9.7913","0.0005","15.3748","0.0007","72.585","0.002","74.551","0.003","77.633","0.003","1271.74","0.11","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H26 N O5 P S Si2 W -","- C18 H26 N O5 P S Si2 W -","- C36 H52 N2 O10 P2 S2 Si4 W2 -","2","1","","Rainer Streubel; Jose Manuel Villalba Franco; Gregor Schnakenburg; Arturo Espinosa Ferao","The difference between the reactivity of a terminal phosphinidene and a Li/Cl phosphiniodenoid complex in cycloaddition chemistry ‒ in the importance of template-induced selectivity","Chem.Commun.","2012","48","","5986","","10.1039/c2cc31851b","","","0.71073","MoKα","","0.0581","0.0401","","","0.0779","0.0832","","","","","","0.951","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107825","8.7938","0.0003","10.6257","0.0004","14.0699","0.0005","107.332","0.001","94.398","0.001","96.224","0.001","1239.35","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H26 N O5 P S Si2 W -","- C18 H26 N O5 P S Si2 W -","- C36 H52 N2 O10 P2 S2 Si4 W2 -","2","1","","Rainer Streubel; Jose Manuel Villalba Franco; Gregor Schnakenburg; Arturo Espinosa Ferao","The difference between the reactivity of a terminal phosphinidene and a Li/Cl phosphiniodenoid complex in cycloaddition chemistry ‒ in the importance of template-induced selectivity","Chem.Commun.","2012","48","","5986","","10.1039/c2cc31851b","","","0.71073","MoKα","","0.0177","0.0167","","","0.0386","0.0391","","","","","","1.035","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107826","10.887","0.004","11.448","0.004","17.595","0.006","102.152","0.005","96.56","0.005","104.691","0.005","2040.9","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H37 Cl3 N2 O2 -","- C55 H37 Cl3 N2 O2 -","- C110 H74 Cl6 N4 O4 -","2","1","","Gang Li; Hieu M. Duong; Zhonghan Zhang; Jinchong Xiao; Lei Liu; Yanli Zhao; Hua Zhang; Fengwei Huo; Shuzhou Li; Jan Ma; Fred Wudl; Qichun Zhang","Approaching a stable, green twisted heteroacene through 'clean reaction' strategy","Chem.Commun.","2012","48","","5974","","10.1039/c2cc32048g","","","0.71073","MoKα","","0.0902","0.0484","","","0.1068","0.1323","","","","","","0.769","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107827","16.5528","0.0002","16.5528","0.0002","25.5559","0.0008","90","","90","","120","","6064.1","0.2","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H22 N4 O6 Zn -","- C32 H22 N4 O6 Zn -","- C192 H132 N24 O36 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0509","0.0438","","","0.1139","0.1175","","","","","","1.022","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107828","16.5276","0.0003","16.5276","0.0003","25.3959","0.001","90","","90","","120","","6007.8","0.3","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C32 H22 N4 O6 Zn -","- C32 H22 N4 O6 Zn -","- C192 H132 N24 O36 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.1659","0.0718","","","0.1626","0.2057","","","","","","1","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107829","16.5764","0.0002","16.5764","0.0002","25.3058","0.0005","90","","90","","120","","6021.87","0.16","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H21 N4 O8 Zn -","- C32 H21 N4 O8 Zn -","- C192 H126 N24 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.1173","0.0705","","","0.1754","0.1908","","","","","","0.926","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107830","16.5744","0.0002","16.5744","0.0002","25.2582","0.0009","90","","90","","120","","6009.1","0.2","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C32 H21 N4 O7 Zn -","- C32 H21 N4 O7 Zn -","- C192 H126 N24 O42 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.1355","0.067","","","0.1659","0.1918","","","","","","0.919","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107831","16.5764","0.0003","16.5764","0.0003","25.2504","0.0011","90","","90","","120","","6008.7","0.3","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H23 N5 O6 Zn -","- C32 H23 N5 O6 Zn -","- C192 H138 N30 O36 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0872","0.0661","","","0.1785","0.1979","","","","","","1.084","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107832","16.5755","0.0006","16.5755","0.0006","25.117","0.002","90","","90","","120","","5976.3","0.6","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C32 H23 N5 O6 Zn -","- C32 H23 N5 O6 Zn -","- C192 H138 N30 O36 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.1037","0.0647","","","0.1635","0.1762","","","","","","0.939","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107833","16.5597","0.0012","16.5597","0.0012","25.787","0.004","90","","90","","120","","6124","1.1","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H21 N5 O8 Zn -","- C32 H21 N5 O8 Zn -","- C192 H126 N30 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0786","0.0596","","","0.1544","0.162","","","","","","0.953","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107834","16.5094","0.0008","16.5094","0.0008","25.701","0.002","90","","90","","120","","6066.6","0.6","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C32 H21 N5 O8 Zn -","- C32 H21 N5 O8 Zn -","- C192 H126 N30 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0906","0.0598","","","0.1499","0.1614","","","","","","0.967","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107835","16.5097","0.0002","16.5097","0.0002","25.4661","0.0005","90","","90","","120","","6011.34","0.16","296","2","296","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C33 H21 N4 O8 Zn -","- C33 H21 N4 O8 Zn -","- C198 H126 N24 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.0939","0.0794","","","0.2169","0.2301","","","","","","1.134","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107836","16.5028","0.0004","16.5028","0.0004","25.4515","0.0015","90","","90","","120","","6002.9","0.4","296","2","296","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C33 H21 N4 O8 Zn -","- C33 H21 N4 O8 Zn -","- C198 H126 N24 O48 Zn6 -","6","0.5","","Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song","Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission","Chem.Commun.","2012","48","","5989","","10.1039/c2cc32103c","","","0.71073","MoKα","","0.094","0.0678","","","0.1787","0.1943","","","","","","1.062","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107837","11.9938","0.0007","7.7257","0.0004","16.3449","0.0009","90","","105.281","0.001","90","","1460.98","0.14","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Kamalkishore Pati; Rai-Shung Liu","Ag(I)-catalyzed carbon-carbon bond formation between a ketone and an allylic C-H bond","Chem.Commun.","2012","48","","6049","","10.1039/c2cc32205f","","","0.71073","MoKα","","0.0621","0.0454","","","0.1228","0.1385","","","","","","1.022","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107838","19.4356","0.0009","19.4356","0.0009","27.893","0.003","90","","90","","120","","9124.8","1.1","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C66 H42 In3 O16 -","- C66 H36 In3 O16 -","- C132 H72 In6 O32 -","2","0.166667","","Fuxing Sun; Jiangtao Jia; Tsolmon Borjigin; Hao Ren; Tingting Zhang; Zheng Bian; Lianxun Gao; Guangshan Zhu","Highly porous and robust ionic MOFs with nia topology constructed by connecting an octahedral ligand and a trigonal prismatic metal cluster","Chem.Commun.","2012","48","","6010","","10.1039/c2cc32347h","","","0.71073","MoKα","","0.0262","0.0217","","","0.0416","0.0422","","","","","","0.978","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107839","20.0962","0.0003","20.0962","0.0003","26.9145","0.0009","90","","90","","120","","9413.4","0.4","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C66 H43 Mn3 O16 -","- C66 H36 Mn3 O16 -","- C132 H72 Mn6 O32 -","2","0.166667","","Fuxing Sun; Jiangtao Jia; Tsolmon Borjigin; Hao Ren; Tingting Zhang; Zheng Bian; Lianxun Gao; Guangshan Zhu","Highly porous and robust ionic MOFs with nia topology constructed by connecting an octahedral ligand and a trigonal prismatic metal cluster","Chem.Commun.","2012","48","","6010","","10.1039/c2cc32347h","","","0.71073","MoKα","","0.0567","0.037","","","0.0488","0.0514","","","","","","0.944","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107840","9.0921","0.0012","9.5542","0.0012","12.8573","0.0017","72.794","0.002","70.787","0.002","78.211","0.002","1000.4","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C45 H51 Br O6 -","- C45 H51 Br O6 -","- C45 H51 Br O6 -","1","1","","Xing-Wei Yang; Xu Deng; Xia Liu; Chun-Yan Wu; Xiao-Nian Li; Bin Wu; Huai-Rong Luo; Yan Li; Hong-Xi Xu; Qin-Shi Zhao; Gang Xu","Hypercohin A, a new polycyclic polyprenylated acylphloroglucinol possessing an unusual bicyclo[5.3.1]hendecane core from Hypericum cohaerens","Chem.Commun.","2012","48","","5998","","10.1039/c2cc32352d","","","0.71073","MoKα","","0.0391","0.0357","","","0.103","0.1042","","","","","","1.037","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107841","9.4707","0.0007","13.9517","0.0011","17.6764","0.0011","82.155","0.003","83.403","0.003","78.502","0.004","2258.1","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C63 H45 N5 -","- C63 H45 N5 -","- C126 H90 N10 -","2","1","","Nuno M. M. Moura; Maria A. F. Faustino; Maria G. P. M. S. Neves; Filipe A. Almeida Paz; Artur M. S. Silva; Augusto C. Tome; Jose A. S. Cavaleiro","A new synthetic approach to benzoporphyrins and Krohnke type porphyrin-2-ylpyridines","Chem.Commun.","2012","48","","6142","","10.1039/c2cc30727h","","","0.71073","MoKα","","0.1661","0.0743","","","0.1349","0.1656","","","","","","1.025","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107842","10.6667","0.0014","13.6339","0.0017","18.488","0.003","76.355","0.008","78.393","0.008","71.138","0.007","2449.6","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H39 N7 -","- C59 H39 N7 -","- C118 H78 N14 -","2","1","","Nuno M. M. Moura; Maria A. F. Faustino; Maria G. P. M. S. Neves; Filipe A. Almeida Paz; Artur M. S. Silva; Augusto C. Tome; Jose A. S. Cavaleiro","A new synthetic approach to benzoporphyrins and Krohnke type porphyrin-2-ylpyridines","Chem.Commun.","2012","48","","6142","","10.1039/c2cc30727h","","","0.71073","MoKα","","0.2447","0.0919","","","0.2088","0.2542","","","","","","0.885","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107843","5.9974","0.0001","8.587","0.0002","22.1778","0.0006","97.619","0.001","91.789","0.001","107.244","0.001","1078.18","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 F6 N2 O P2 -","- C20 H24 F6 N2 O P2 -","- C40 H48 F12 N4 O2 P4 -","2","1","","Jorge Alvarez Vicente; Agata Mlonka; Nimal Gunaratne; Malgorzata Swadzba-Kwasny; Peter Nockemann","Phosphine oxide functionalised imidazolium ionic liquids as tuneable ligands for lanthanide complexation","Chem.Commun.","2012","48","","6115","","10.1039/c2cc31544k","","","0.71073","MOKα","","0.0628","0.0519","","","0.1203","0.1276","","","","","","1.112","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107844","20.278","0.006","12.748","0.005","19.529","0.009","90","","105.325","0.017","90","","4869","3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H28 Eu F24 N2 O9 P -","- C40 H28 Eu F24 N2 O9 P -","- C160 H112 Eu4 F96 N8 O36 P4 -","4","1","","Jorge Alvarez Vicente; Agata Mlonka; Nimal Gunaratne; Malgorzata Swadzba-Kwasny; Peter Nockemann","Phosphine oxide functionalised imidazolium ionic liquids as tuneable ligands for lanthanide complexation","Chem.Commun.","2012","48","","6115","","10.1039/c2cc31544k","","","0.710747","MoKα","","0.1096","0.0865","","","0.1778","0.2101","","","","","","1.182","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107845","6.9681","0.0001","9.1696","0.0002","20.5119","0.0004","90","","90","","90","","1310.6","0.04","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br2 O -","- C14 H12 Br2 O -","- C56 H48 Br8 O4 -","4","1","","Sawano, Takahiro; Ou, Keiyu; Nishimura, Takahiro; Hayashi, Tamio","Cobalt-catalyzed asymmetric addition of silylacetylenes to oxa- and azabenzonorbornadienes","Chemical Communications (Cambridge, United Kingdom)","2012","48","49","6106","6108","10.1039/c2cc31880f","","","1.54187","CuKα","","0.0416","0.0392","","","0.1054","0.1109","","","","","","0.838","","","","has coordinates","275221","2022-05-08","21:42:00",""
"7107846","18.7974","0.0002","14.7002","0.0001","20.102","0.0003","90","","90","","90","","5554.7","0.11","223","2","223","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C59 H39 B Cl2 F20 P2 Zr -","- C59 H39 B Cl2 F20 P2 Zr -","- C236 H156 B4 Cl8 F80 P8 Zr4 -","4","1","","Xin Xu; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reactions of a methylzirconocene cation with phosphinoalkynes: an alternative pathway for generating Cp2Zr(II) systems","Chem.Commun.","2012","48","","6109","","10.1039/c2cc31883k","","","0.71073","MoKα","","0.0501","0.0427","","","0.0824","0.0877","","","","","","1.085","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107847","10.6745","0.0002","15.6839","0.0003","19.2457","0.0003","81.78","0.001","82.615","0.001","83.286","0.001","3146.54","0.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 B F20 P Zr -","- C70 H58 B F20 P Zr -","- C140 H116 B2 F40 P2 Zr2 -","2","1","","Xin Xu; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reactions of a methylzirconocene cation with phosphinoalkynes: an alternative pathway for generating Cp2Zr(II) systems","Chem.Commun.","2012","48","","6109","","10.1039/c2cc31883k","","","0.71073","MoKα","","0.0655","0.0556","","","0.1347","0.1443","","","","","","1.082","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107848","19.0797","0.0002","14.5742","0.0001","39.3043","0.0004","90","","90","","90","","10929.4","0.18","223","2","223","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C56 H39 B Cl2 F20 P2 Zr -","- C56 H39 B Cl2 F20 P2 Zr -","- C448 H312 B8 Cl16 F160 P16 Zr8 -","8","2","","Xin Xu; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reactions of a methylzirconocene cation with phosphinoalkynes: an alternative pathway for generating Cp2Zr(II) systems","Chem.Commun.","2012","48","","6109","","10.1039/c2cc31883k","","","0.71073","MoKα","","0.0639","0.05","","","0.0964","0.1046","","","","","","1.081","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107849","13.568","0.003","13.626","0.003","16.085","0.003","113.293","0.003","93.737","0.003","113.824","0.003","2407.5","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H56 Cu5 N24 O46 P W12 -","- C72 H56 Cu5 N24 O46 P W12 -","- C72 H56 Cu5 N24 O46 P W12 -","1","0.5","","Zhiyong Fu; Yu Zeng; Xiaoling Liu; Desheng Song; Shijun Liao; Jingcao Dai","Copper based metal-organic molecular ring with inserted Keggin-type polyoxometalate: a stable photofunctional host-guest molecular system","Chem.Commun.","2012","48","","6154","","10.1039/c2cc32019c","","","0.71073","MoKα","","0.0665","0.0539","","","0.1353","0.144","","","","","","1.036","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107850","6.171","0.0012","10.688","0.002","18.481","0.004","90","","90.15","0.03","90","","1218.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 N O11 -","- C25 H32 N O11 -","- C50 H64 N2 O22 -","2","1","","Hai Xia Ge; Jian Zhang; Ying Dong; Kai Cui; Bo-Yang Yu","Unique biocatalytic resolution of racemic tetrahydroberberrubine via kinetic glycosylation and enantio-selective sulfation","Chem.Commun.","2012","48","","6127","","10.1039/c2cc32175k","","","0.71073","MoKα","","0.0963","0.0672","","","0.1648","0.1835","","","","","","1.005","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107851","9.9714","0.0003","10.8313","0.0002","25.5105","0.0007","90","","97.071","0.003","90","","2734.26","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(2,2,2-crypt)][P3C2H2]","","- C20 H38 K N2 O6 P3 -","- C20 H38 K N2 O6 P3 -","- C80 H152 K4 N8 O24 P12 -","4","1","","Robert S. P. Turbervill; Jose M. Goicoechea","Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies","Chem.Commun.","2012","48","","6100","","10.1039/c2cc32244g","","","1.54184","CuKα","","0.039","0.0342","","","0.0895","0.0933","","","","","","1.048","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7107852","9.0864","0.0001","15.5733","0.0002","14.6129","0.0002","90","","99.328","0.001","90","","2040.46","0.04","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","[K(18-crown-6)][P3C2H2]","","- C14 H26 K O6 P3 -","- C14 H26 K O6 P3 -","- C56 H104 K4 O24 P12 -","4","1","","Robert S. P. Turbervill; Jose M. Goicoechea","Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies","Chem.Commun.","2012","48","","6100","","10.1039/c2cc32244g","","","1.54184","CuKα","","0.045","0.0433","","","0.117","0.1187","","","","","","1.068","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7107853","10.0095","0.0001","10.8312","0.0001","25.7344","0.0003","90","","95.621","0.001","90","","2776.58","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(2,2,2-crypt)][As3C2H2]","","- C20 H38 As3 K N2 O6 -","- C20 H38 As3 K N2 O6 -","- C80 H152 As12 K4 N8 O24 -","4","1","","Robert S. P. Turbervill; Jose M. Goicoechea","Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies","Chem.Commun.","2012","48","","6100","","10.1039/c2cc32244g","","","1.54178","CuKα","","0.0351","0.0327","","","0.0811","0.083","","","","","","1.032","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7107854","9.1068","0.0002","15.6018","0.0004","14.9447","0.0003","90","","98.208","0.002","90","","2101.63","0.08","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","[K(18-crown-6)][As3C2H2]","","- C14 H26 As3 K O6 -","- C14 H26 As3 K O6 -","- C56 H104 As12 K4 O24 -","4","1","","Robert S. P. Turbervill; Jose M. Goicoechea","Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies","Chem.Commun.","2012","48","","6100","","10.1039/c2cc32244g","","","1.54178","CuKα","","0.1155","0.1012","","","0.2778","0.2929","","","","","","1.076","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7107855","11.7391","0.0001","17.4228","0.0001","18.6466","0.0001","90","","107.681","0.001","90","","3633.6","0.05","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[K-(2,2,2-crypt)][(As3C2H2)Ru(Me-allyl)2]","","- C28 H52 As3 K N2 O6 Ru -","- C28 H52 As3 K N2 O6 Ru -","- C112 H208 As12 K4 N8 O24 Ru4 -","4","1","","Robert S. P. Turbervill; Jose M. Goicoechea","Synthesis of 1,2,3-tripnictolide anions by reaction of group 15 Zintl ions with acetylene. Isolation of [E/3C/2H/2]^-^ (E = P, As) and preliminary reactivity studies","Chem.Commun.","2012","48","","6100","","10.1039/c2cc32244g","","","1.54178","CuKα","","0.0185","0.018","","","0.0494","0.0498","","","","","","1.063","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7107856","10.1884","0.0003","8.84867","0.00018","10.8335","0.0004","90","","112.663","0.004","90","","901.27","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C36 H44 Cl2 N2 O10 -","2","1","","Cruz, David Cruz; Sánchez-Murcia, Pedro A; Jørgensen, Karl Anker","Formal asymmetric enone aminohydroxylation: organocatalytic one-pot synthesis of 4,5-disubstituted oxazolidinones","Chemical Communications (Cambridge, United Kingdom)","2012","48","49","6112","6114","10.1039/c2cc32385k","","","0.71073","MoKα","","0.0269","0.0252","","","0.079","0.0815","","","","","","0.703","","","","has coordinates","210861","2020-10-21","18:00:00",""
"7107857","15.2873","0.0012","15.2873","0.0012","14.96","0.002","90","","90","","90","","3496.2","0.6","89","2","89","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C64 H60 Cu8 N20 O20 -","- C64 H60 Cu8 N20 O20 -","- C128 H120 Cu16 N40 O40 -","2","0.25","","Nicholas G. White; Jonathan A. Kitchen; John A. Joule; Sally Brooker","Copper-induced N-N bond cleavage results in an octanuclear expanded-core grid-like complex","Chem.Commun.","2012","48","","6229","","10.1039/c2cc32018e","","","0.71073","MoKα","","0.1782","0.0672","","","0.1443","0.2039","","","","","","1.051","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107858","14.973","0.003","12.682","0.002","20.506","0.003","90","","90","","90","","3893.8","1.1","91","2","91","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 Cu4 N10 O11 -","- C34 H36 Cu4 N10 O11 -","- C136 H144 Cu16 N40 O44 -","4","0.5","","Nicholas G. White; Jonathan A. Kitchen; John A. Joule; Sally Brooker","Copper-induced N-N bond cleavage results in an octanuclear expanded-core grid-like complex","Chem.Commun.","2012","48","","6229","","10.1039/c2cc32018e","","","0.71073","MoKα","","0.1108","0.0676","","","0.1431","0.1674","","","","","","1.025","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107859","22.011","0.005","43.742","0.009","8.1622","0.0017","90","","90","","90","","7859","3","133","2","133","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C30 H18 Fe -","- C30 H18 Fe -","- C480 H288 Fe16 -","16","1","","Berit Topolinski; Bernd M. Schmidt; Michael Kathan; Sergej I. Troyanov; Dieter Lentz","Corannulenylferrocenes: towards a 1D, non-covalent metal-organic nanowire","Chem.Commun.","2012","48","","6298","","10.1039/c2cc32275g","","","0.71073","MoKα","","0.0554","0.0429","","","0.0925","0.0978","","","","","","1.081","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107860","37.109","0.001","23.257","0.001","7.43","0.001","90","","90","","90","","6412.4","0.9","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C50 H26 Fe -","- C50 H26 Fe -","- C400 H208 Fe8 -","8","2","","Berit Topolinski; Bernd M. Schmidt; Michael Kathan; Sergej I. Troyanov; Dieter Lentz","Corannulenylferrocenes: towards a 1D, non-covalent metal-organic nanowire","Chem.Commun.","2012","48","","6298","","10.1039/c2cc32275g","","","0.88561","synchrotron","","0.0505","0.0434","","","0.1108","0.1187","","","","","","1.057","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107861","8.6625","0.0002","13.8534","0.0003","11.4816","0.0002","90","","90","","90","","1377.85","0.05","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H19 I O3 -","- C16 H19 I O3 -","- C64 H76 I4 O12 -","4","1","","Stephen J. Murray; Helge Muller-Bunz; Hasim Ibrahim","Congested C2-symmetric aryliodanes based on an anti-dimethanoanthracene backbone","Chem.Commun.","2012","48","","6268","","10.1039/c2cc32280c","","","1.54184","CuKα","","0.0264","0.0251","","","0.0663","0.0673","","","","","","1.068","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107862","11.4318","0.0009","11.7919","0.0009","13.353","0.001","80.086","0.002","76.784","0.002","89.133","0.002","1725.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Cl6 I O3 S -","- C31 H31 Cl6 I O3 S -","- C62 H62 Cl12 I2 O6 S2 -","2","1","","Stephen J. Murray; Helge Muller-Bunz; Hasim Ibrahim","Congested C2-symmetric aryliodanes based on an anti-dimethanoanthracene backbone","Chem.Commun.","2012","48","","6268","","10.1039/c2cc32280c","","","0.71073","MoKα","","0.0415","0.0365","","","0.0868","0.0897","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107863","8.5505","0.0002","12.8539","0.0002","18.8604","0.0004","90","","93.496","0.002","90","","2069.04","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F6 I P -","- C22 H22 F6 I P -","- C88 H88 F24 I4 P4 -","4","1","","Stephen J. Murray; Helge Muller-Bunz; Hasim Ibrahim","Congested C2-symmetric aryliodanes based on an anti-dimethanoanthracene backbone","Chem.Commun.","2012","48","","6268","","10.1039/c2cc32280c","","","1.54184","CuKα","","0.0472","0.0436","","","0.117","0.1196","","","","","","1.063","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107864","13.6095","0.0002","19.4173","0.0004","19.7515","0.0004","109.186","0.0018","95.4448","0.0015","96.221","0.0015","4853.04","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H74 B2 O0.25 -","- C58 H72 B2 -","- C232 H288 B8 -","4","2","","David R. Levine; Anthony Caruso; Maxime A. Siegler; John D. Tovar","Meta-B-entacenes: new polycyclic aromatics incorporating two fused borepin rings","Chem.Commun.","2012","48","","6256","","10.1039/c2cc32500d","","","0.71073","MoKα","","0.0693","0.051","","","0.1404","0.1485","","","","","","1.076","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107865","8.5424","0.0011","14.963","0.002","10.6477","0.0014","90","","109.882","0.002","90","","1279.9","0.3","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Feijun Wang; Mingliang Qu; Xi Lu; Feng Chen; Min Shi","Me3SiI-promoted reaction of salicylic aldehydes with ketones: a facile way to construct benzopyranic [2,3-b]ketals and spiroketals","Chem.Commun.","2012","48","","6259","","10.1039/c2cc32545d","","","0.71073","MoKα","","0.0411","0.0354","","","0.0821","0.0864","","","","","","1.031","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107866","31.4581","0.0018","31.4581","0.0018","8.0818","0.0006","90","","90","","120","","6926.3","0.8","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C342 H360 O36 -","18","1","","Feijun Wang; Mingliang Qu; Xi Lu; Feng Chen; Min Shi","Me3SiI-promoted reaction of salicylic aldehydes with ketones: a facile way to construct benzopyranic [2,3-b]ketals and spiroketals","Chem.Commun.","2012","48","","6259","","10.1039/c2cc32545d","","","0.71073","MoKα","","0.0725","0.0407","","","0.0977","0.1094","","","","","","1.032","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107867","7.3608","0.0015","24.153","0.005","40.044","0.008","90","","90","","90","","7119","3","213","2","213","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C40 H40 N6 O10 -","- C35 H42 N4 O13 -","- C280 H336 N32 O104 -","8","2","","Ting Qi; Victor Maurizot; Hiroki Noguchi; Thiraporn Charoenraks; Brice Kauffmann; Makoto Takafuji; Hirotaka Ihara; Ivan Huc","Solvent dependence of helix stability in aromatic oligoamide foldamers","Chem.Commun.","2012","48","","6337","","10.1039/c2cc31533e","","","1.54178","CuKα","","0.0604","0.0594","","","0.1592","0.1627","","","","","","1.069","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107868","14.324","0.003","7.1135","0.0014","19.269","0.004","90","","90","","90","","1963.4","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H6 Cl4 N2 O4 -","- C24 H6 Cl4 N2 O4 -","- C96 H24 Cl16 N8 O16 -","4","0.5","","Xinqiang Cao; Shuming Bao; Yi-Shi Wu; Qing Liao; Qiang Shi; Hongbing Fu; Jiannian Yao","Self-assembly of twisted tetrachloroperylenediimide chromophores into two dimensional brick-stone aggregates: exciton dynamics and photoconductivity","Chem.Commun.","2012","48","","6402","","10.1039/c2cc32112b","","","0.71073","MoKα","","0.0682","0.0619","","","0.1288","0.133","","","","","","1.166","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107869","6.245","0.0003","7.332","0.0003","13.413","0.0006","87.875","0.003","86.713","0.003","70.242","0.002","576.95","0.05","173","1","173","1","","","","","","","","6","P -1","-P 1","2","Compound X","","","- C22 H20 N2 O2 Pt Tl2 -","- C22 H20 N2 O2 Pt Tl2 -","- C22 H20 N2 O2 Pt Tl2 -","1","0.5","","Jesus R. Berenguer; Julio Fernandez; Elena Lalinde; Sergio Sanchez","Novel mixed anion [trans-Pt(C[triple bond, length as m-dash]CTol)2(CN)2]2- as a building block of new luminescent PtII-TlI and PtII-PbII coordination polymers","Chem.Commun.","2012","48","","6384","","10.1039/c2cc32390g","","","0.71073","MoKα","","0.0554","0.0518","","","0.1365","0.1411","","","","","","1.111","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107870","7.7464","0.0006","11.2992","0.0007","15.3002","0.0012","71.013","0.004","89.708","0.003","79.895","0.004","1244.75","0.16","173","1","173","1","","","","","","","","7","P -1","-P 1","2","Compound X","","","- C44 H48 B2 N14 O3 Pb2 Pt -","- C44 H46 B2 N14 O3 Pb2 Pt -","- C44 H46 B2 N14 O3 Pb2 Pt -","1","0.5","","Jesus R. Berenguer; Julio Fernandez; Elena Lalinde; Sergio Sanchez","Novel mixed anion [trans-Pt(C[triple bond, length as m-dash]CTol)2(CN)2]2- as a building block of new luminescent PtII-TlI and PtII-PbII coordination polymers","Chem.Commun.","2012","48","","6384","","10.1039/c2cc32390g","","","0.71073","MoKα","","0.0575","0.0392","","","0.0881","0.0959","","","","","","1.043","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107871","24.0493","0.0016","21.2442","0.0013","11.3248","0.0005","90","","90","","90","","5785.9","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H32 N4 O6 S2 -","- C30 H32 N4 O6 S2 -","- C240 H256 N32 O48 S16 -","8","1","","Nicholas J. W. Rattray; Waleed A. Zalloum; David Mansell; Joe Latimer; Carl H. Schwalbe; Alexander J. Blake; Elena V. Bichenkova; Sally Freeman","Fluorescent probe for detection of bacteria: conformational trigger upon bacterial reduction of an azo bridge","Chem.Commun.","2012","48","","6393","","10.1039/c2cc32521g","","","0.7107","MoKα","","0.1376","0.073","","","0.1781","0.2199","","","","","","1.039","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107872","9.5004","0.0005","14.8567","0.0007","21.8984","0.0011","90","","90","","90","","3090.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 I N O3 -","- C17 H12 I N O3 -","- C136 H96 I8 N8 O24 -","8","2","","Min-Qiang Jia; Shu-Li You","Desymmetrization of cyclohexadienones viaD-camphor-derived triazolium salt catalyzed intramolecular Stetter reaction","Chem.Commun.","2012","48","","6363","","10.1039/c2cc32783j","","","0.71073","MoKα","","0.0408","0.0362","","","0.0799","0.0824","","","","","","1.061","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107873","16.643","0.002","16.643","0.002","15.319","0.003","90","","90","","120","","3674.7","1","173","2","173","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C48 H108 N12 P6 Se6 -","- C48 H60 N12 P6 Se6 -","- C96 H120 N24 P12 Se12 -","2","0.166667","","Tristram Chivers; Andreas Nordheider; Ramalingam Thirumoorthi; Ignacio Vargas-Baca; J. Derek Woollins","Planar P6E6 (E = Se, S) macrocycles incorporating P2N2 scaffolds","Chem.Commun.","2012","48","","6346","","10.1039/c2cc32809g","","","0.71073","MoKα","","0.0916","0.0606","","","0.1553","0.178","","","","","","1.084","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107874","11.28","0.0005","14.75","0.0005","15.584","0.0007","90","","95.303","0.0017","90","","2581.77","0.19","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H36 N4 P2 Se4 -","- C16 H36 N4 P2 Se4 -","- C64 H144 N16 P8 Se16 -","4","1","","Tristram Chivers; Andreas Nordheider; Ramalingam Thirumoorthi; Ignacio Vargas-Baca; J. Derek Woollins","Planar P6E6 (E = Se, S) macrocycles incorporating P2N2 scaffolds","Chem.Commun.","2012","48","","6346","","10.1039/c2cc32809g","","","0.71073","MoKα","","0.1259","0.0798","","","0.1465","0.1728","","","","","","1.151","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107875","16.54","0.0007","16.54","0.0007","15.533","0.0004","90","","90","","120","","3680.1","0.2","173","2","173","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C54 H114 N12 P6 S6 -","- C54 H57 N12 P6 S6 -","- C108 H114 N24 P12 S12 -","2","0.166667","","Tristram Chivers; Andreas Nordheider; Ramalingam Thirumoorthi; Ignacio Vargas-Baca; J. Derek Woollins","Planar P6E6 (E = Se, S) macrocycles incorporating P2N2 scaffolds","Chem.Commun.","2012","48","","6346","","10.1039/c2cc32809g","","","0.71073","MoKα","","0.1082","0.0807","","","0.1912","0.2134","","","","","","1.076","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107876","6.5938","0.0006","7.3333","0.0007","25.306","0.002","88.223","0.001","89.712","0.002","89.77","0.002","1223.04","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 Co O12 -","- C28 H22 Co O12 -","- C56 H44 Co2 O24 -","2","1","","Jingming Zhang; Ankush V. Biradar; Sanhita Pramanik; Thomas J. Emge; Tewodros Asefa; Jing Li","A new layered metal-organic framework as a promising heterogeneous catalyst for olefin epoxidation reactions","Chem.Commun.","2012","48","","6541","","10.1039/c2cc18127d","","","0.71073","MoKα","","0.0814","0.0662","","","0.1667","0.1785","","","","","","1.033","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107877","15.0586","0.0016","15.905","0.0018","18.483","0.002","96.275","0.002","98.087","0.001","109.431","0.001","4075","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H80 Cl2 N4 O11 -","- C92 H64 Cl2 N4 O8 -","- C184 H128 Cl4 N8 O16 -","2","1","","Tomoya Ishizuka; Muniappan Sankar; Yusuke Yamada; Shunichi Fukuzumi; Takahiko Kojima","Porphyrin nanochannels reinforced by hydrogen bonding","Chem.Commun.","2012","48","","6481","","10.1039/c2cc31142a","","","0.71073","MoKα","","0.101","0.0678","","","0.1922","0.206","","","","","","1.125","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107878","20.917","0.004","21.983","0.004","22.099","0.004","90","","115.546","0.002","90","","9168","3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C107 H103 Cl2 N4 O18.5 -","- C94 H64 Cl2 N4 O12 -","- C376 H256 Cl8 N16 O48 -","4","1","","Tomoya Ishizuka; Muniappan Sankar; Yusuke Yamada; Shunichi Fukuzumi; Takahiko Kojima","Porphyrin nanochannels reinforced by hydrogen bonding","Chem.Commun.","2012","48","","6481","","10.1039/c2cc31142a","","","0.71073","MoKα","","0.1114","0.072","","","0.19","0.209","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107879","15.306","0.005","15.402","0.005","19.612","0.007","81.772","0.005","74.657","0.005","89.895","0.005","4410","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H112 Cl2 N4 O23 -","- C96 H64 Cl2 N4 O8 -","- C192 H128 Cl4 N8 O16 -","2","1","","Tomoya Ishizuka; Muniappan Sankar; Yusuke Yamada; Shunichi Fukuzumi; Takahiko Kojima","Porphyrin nanochannels reinforced by hydrogen bonding","Chem.Commun.","2012","48","","6481","","10.1039/c2cc31142a","","","0.71073","MoKα","","0.1161","0.0698","","","0.1838","0.2023","","","","","","1.026","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107880","36.043","0.011","18.849","0.006","20.929","0.007","90","","115.756","0.004","90","","12806","7","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C146 H172 Cl2 N4 O24 -","- C100 H60 Cl2 N4 O16 -","- C400 H240 Cl8 N16 O64 -","4","0.5","","Tomoya Ishizuka; Muniappan Sankar; Yusuke Yamada; Shunichi Fukuzumi; Takahiko Kojima","Porphyrin nanochannels reinforced by hydrogen bonding","Chem.Commun.","2012","48","","6481","","10.1039/c2cc31142a","","","0.71073","MoKα","","0.11","0.0757","","","0.2041","0.2215","","","","","","1.01","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107881","9.7876","0.0018","8.3007","0.0014","19.986","0.004","90","","94.442","0.004","90","","1618.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","2","","Chun-Ming Ting; Yi-Ling Hsu; Rai-Shung Liu","Gold-catalyzed isomerization of unactivated allenes into 1,3-dienes under ambient conditions","Chem.Commun.","2012","48","","6577","","10.1039/c2cc32131a","","","0.71073","MoKα","","0.0395","0.0337","","","0.0704","0.0727","","","","","","1.031","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107882","12.4236","0.0004","8.6723","0.0003","15.4909","0.0004","90","","111.688","0.001","90","","1550.86","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H N O6 S -","- C16 H13 N O6 S -","- C64 H52 N4 O24 S4 -","4","2","","Francesco Manoni; Claudio Cornaggia; James Murray; Sean Tallon; Stephen J. Connon","Catalytic, enantio- and diastereoselective synthesis of Y-butyrolactones incorporating quaternary stereocentres","Chem.Commun.","2012","48","","6502","","10.1039/c2cc32147e","","","1.54178","CuKα","","0.031","0.031","","","0.0762","0.0764","","","","","","1.782","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107883","35.14","0.0019","35.14","0.0019","92.24","0.008","90","","90","","120","","98640","11","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C264 N24 O38 Ru6 Zn8 -","- C264 N24 O38 Ru6 Zn8 -","- C1584 N144 O228 Ru36 Zn48 -","6","0.333333","","Joseph M. Falkowski; Sophie Liu; Cheng Wang; Wenbin Lin","Chiral metal-organic frameworks with tunable open channels as single-site asymmetric cyclopropanation catalysts","Chem.Commun.","2012","48","","6508","","10.1039/c2cc32232c","","","1.54178","CuKα","","0.1845","0.1326","","","0.3182","0.3482","","","","","","1.724","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107884","11.4032","0.0007","14.2768","0.0008","16.2935","0.0007","90","","90","","90","","2652.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl2 N3 O4 -","- C28 H29 Cl2 N3 O4 -","- C112 H116 Cl8 N12 O16 -","4","1","","Sachin G. Modha; Dipak D. Vachhani; Jeroen Jacobs; Luc Van Meervelt; Erik V. Van der Eycken","A concise route to indoloazocines via a sequential Ugi-gold-catalyzed intramolecular hydroarylation","Chem.Commun.","2012","48","","6550","","10.1039/c2cc32586a","","","0.7107","MoKα","","0.0624","0.0448","","","0.0927","0.1038","","","","","","1.04","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107885","16.691","0.005","7.731","0.002","16.655","0.005","90","","107.022","0.006","90","","2055","1","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F5 N O2 -","- C28 H16 F5 N O2 -","- C112 H64 F20 N4 O8 -","4","1","","Bernd Schmidt; Berit Topolinski; Phillip Roesch; Dieter Lentz","Electron-poor N-substituted imide-fused corannulenes","Chem.Commun.","2012","48","","6520","","10.1039/c2cc32643d","","","0.71073","MoKα","","0.0725","0.0409","","","0.1078","0.1324","","","","","","1.038","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107886","12.407","0.004","27.476","0.008","9.607","0.003","90","","110.687","0.006","90","","3063.8","1.6","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H20 F10 N2 O4 -","- C38 H20 F10 N2 O4 -","- C152 H80 F40 N8 O16 -","4","1","","Bernd Schmidt; Berit Topolinski; Phillip Roesch; Dieter Lentz","Electron-poor N-substituted imide-fused corannulenes","Chem.Commun.","2012","48","","6520","","10.1039/c2cc32643d","","","0.71073","MoKα","","0.0648","0.0463","","","0.1139","0.1235","","","","","","1.061","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107887","16.4353","0.0005","7.3459","0.0002","16.452","0.0004","90","","108.036","0.002","90","","1888.68","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H8 F5 N O2 -","- C28 H8 F5 N O2 -","- C112 H32 F20 N4 O8 -","4","1","","Bernd Schmidt; Berit Topolinski; Phillip Roesch; Dieter Lentz","Electron-poor N-substituted imide-fused corannulenes","Chem.Commun.","2012","48","","6520","","10.1039/c2cc32643d","","","1.54178","CuKα","","0.0535","0.0373","","","0.0883","0.0961","","","","","","1.019","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107888","6.1832","0.0007","4.7807","0.0006","25.509","0.005","90","","94.353","0.015","90","","751.9","0.2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Li Zhang; He Chen; Zhenggen Zha; Zhiyong Wang","Electrochemical tandem synthesis of oximes from alcohols using KNO3 as the nitrogen source, mediated by tin microspheres in aqueous medium","Chem.Commun.","2012","48","","6574","","10.1039/c2cc32800c","","","0.71073","MoKα","","0.0381","0.0292","","","0.067","0.0718","","","","","","1.024","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107889","13.9056","0.0006","7.3192","0.0003","13.5734","0.0006","90","","117.911","0.006","90","","1220.77","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Ana Petronilho; Helge Muller-Bunz; Martin Albrecht","Mesoionic oxides: facile access from triazolium salts or triazolylidene copper precursors, and catalytic relevance","Chem.Commun.","2012","48","","6499","","10.1039/c2cc32843g","","","0.71073","MoKα","","0.0549","0.0404","","","0.0975","0.1055","","","","","","1.055","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107890","15.8898","0.0006","7.1098","0.0002","28.0195","0.0012","90","","99.564","0.004","90","","3121.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H25 N Si2 Zr -","- C13 H25 N Si2 Zr -","- C104 H200 N8 Si16 Zr8 -","8","1","","Andreas Glockner; Constantin G. Daniliuc; Matthias Freytag; Peter G. Jones; Matthias Tamm","A slipped multi-decker zirconium complex with an eta^7^:eta^2^-bridging cycloheptatrienyl ligand","Chem.Commun.","2012","48","","6598","","10.1039/c2cc32961a","","","0.71073","MoKα","","0.0449","0.0425","","","0.0934","0.0942","","","","","","1.291","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107891","10.2102","0.0002","10.7387","0.0002","19.2391","0.0004","90","","99.648","0.002","90","","2079.62","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 N O Si2 Zr -","- C17 H33 N O Si2 Zr -","- C68 H132 N4 O4 Si8 Zr4 -","4","1","","Andreas Glockner; Constantin G. Daniliuc; Matthias Freytag; Peter G. Jones; Matthias Tamm","A slipped multi-decker zirconium complex with an eta^7^:eta^2^-bridging cycloheptatrienyl ligand","Chem.Commun.","2012","48","","6598","","10.1039/c2cc32961a","","","1.54184","CuKα","","0.0205","0.0203","","","0.0516","0.0518","","","","","","1.051","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107892","16.13255","0.00011","10.7456","0.00007","29.85162","0.00018","90","","96.8834","0.0006","90","","5137.6","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H158 Br2 Mg2 O2 Si4 -","- C98 H158 Br2 Mg2 O2 Si4 -","- C196 H316 Br4 Mg4 O4 Si8 -","2","0.5","","Michael J. Cowley; Kai Abersfelder; Andrew J. P. White; Moumita Majumdar; David Scheschkewitz","Transmetallation reactions of a lithium disilenide","Chem.Commun.","2012","48","","6595","","10.1039/c2cc33047d","","","1.54184","CuKα","","0.0374","0.0324","","","0.0883","0.0912","","","","","","1.061","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107893","14.8462","0.0002","19.637","0.0003","19.5727","0.0004","90","","110.058","0.002","90","","5360.02","0.17","173","","173","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C102 H168 Cu Li O6 Si4 -","- C102 H168 Cu Li O6 Si4 -","- C204 H336 Cu2 Li2 O12 Si8 -","2","1","","Michael J. Cowley; Kai Abersfelder; Andrew J. P. White; Moumita Majumdar; David Scheschkewitz","Transmetallation reactions of a lithium disilenide","Chem.Commun.","2012","48","","6595","","10.1039/c2cc33047d","","","0.71073","MoKα","","0.0942","0.061","","","0.1496","0.1684","","","","","","1.047","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107894","26.9166","0.0005","14.9711","0.0003","24.9775","0.0004","90","","90.1129","0.0008","90","","10065.2","0.3","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H13 Cl2 F20 N5 O4 Rh2 -","- C54 H13 Cl2 F20 N5 O4 Rh2 -","- C432 H104 Cl16 F160 N40 O32 Rh16 -","8","1","","Tomoki Yoneda; Hirotaka Mori; Dongho Kim; Byung Lee; Min-Chul Yoon; Atsuhiro Osuka","A non-fused mono-meso-free pentaphyrin and its rhodium(I) complex","Chem.Commun.","2012","48","","6785","","10.1039/c2cc32054a","","","1.54187","CuKα","","0.0937","0.0675","","","0.1502","0.1754","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107896","20.4917","0.0003","20.7379","0.0003","28.6519","0.0006","99.579","0.001","100.964","0.001","116.43","0.001","10258.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H232 Cu28 N58 O32 S -","- C161.864 H169 Cu28 N58 O32 S -","- C323.728 H338 Cu56 N116 O64 S2 -","2","1","","Isurika R. Fernando; Stuart A. Surmann; Alexander A. Urech; Alexander M. Poulsen; Gellert Mezei","Selective total encapsulation of the sulfate anion by neutral nano-jars","Chem.Commun.","2012","48","","6860","","10.1039/c2cc32074f","","","0.71073","MoKα","","0.0831","0.049","","","0.1519","0.1772","","","","","","1.219","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107897","20.4153","0.0009","22.91","0.0011","25.8662","0.0012","103.685","0.003","94.975","0.003","110.593","0.003","10809.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160.5 H257 Cu31 N64 O35 S -","- C160.5 H129 Cu31 N64 O35 S -","- C321 H258 Cu62 N128 O70 S2 -","2","1","","Isurika R. Fernando; Stuart A. Surmann; Alexander A. Urech; Alexander M. Poulsen; Gellert Mezei","Selective total encapsulation of the sulfate anion by neutral nano-jars","Chem.Commun.","2012","48","","6860","","10.1039/c2cc32074f","","","0.71073","MoKα","","0.1667","0.1332","","","0.4066","0.415","","","","","","2.852","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107898","14.205","0.002","14.235","0.002","23.253","0.004","96.844","0.002","93.925","0.003","99.634","0.003","4583.8","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H137 K N2 O14 Si Ta2 -","- C88 H137 K N2 O14 Si Ta2 -","- C176 H274 K2 N4 O28 Si2 Ta4 -","2","1","","Takashi Kurogi; Yutaka Ishida; Tsubasa Hatanaka; Hiroyuki Kawaguchi","Multielectron reduction of diazoalkane and azides via reversible cyclometalation in ditantalum complexes","Chem.Commun.","2012","48","","6809","","10.1039/c2cc32535g","","","0.71075","MoKα","","0.086","0.0626","","","0.1382","0.1562","","","","","","1.109","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107899","14.635","0.002","17.948","0.003","35.657","0.005","90","","90","","90","","9366","2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C95 H144 K N O12 Si Ta2 -","- C95 H144 K N O12 Si Ta2 -","- C380 H576 K4 N4 O48 Si4 Ta8 -","4","1","","Takashi Kurogi; Yutaka Ishida; Tsubasa Hatanaka; Hiroyuki Kawaguchi","Multielectron reduction of diazoalkane and azides via reversible cyclometalation in ditantalum complexes","Chem.Commun.","2012","48","","6809","","10.1039/c2cc32535g","","","0.71075","MoKα","","0.0602","0.0539","","","0.1253","0.1308","","","","","","1.117","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107900","14.4755","0.001","30.724","0.002","22.0497","0.0012","90","","94.99","0.003","90","","9769.3","1.1","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90.5 H145 K N2 O8 Si2 Ta2 -","- C88 H139 K N2 O8 Si2 Ta2 -","- C352 H556 K4 N8 O32 Si8 Ta8 -","4","1","","Takashi Kurogi; Yutaka Ishida; Tsubasa Hatanaka; Hiroyuki Kawaguchi","Multielectron reduction of diazoalkane and azides via reversible cyclometalation in ditantalum complexes","Chem.Commun.","2012","48","","6809","","10.1039/c2cc32535g","","","0.71075","MoKα","","0.1004","0.0751","","","0.1745","0.1925","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107901","16.9098","0.0017","29.072","0.003","21.836","0.002","90","","103.604","0.0016","90","","10433.4","1.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C220 H290 N2 Na4 O24 Ta4 -","- C220 H290 N2 Na4 O24 Ta4 -","- C440 H580 N4 Na8 O48 Ta8 -","2","0.5","","Takashi Kurogi; Yutaka Ishida; Tsubasa Hatanaka; Hiroyuki Kawaguchi","Multielectron reduction of diazoalkane and azides via reversible cyclometalation in ditantalum complexes","Chem.Commun.","2012","48","","6809","","10.1039/c2cc32535g","","","0.71075","MoKα","","0.0977","0.0716","","","0.1483","0.1652","","","","","","1.125","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107902","12.4404","0.0003","12.4404","0.0003","5.2602","0.0003","90","","90","","90","","814.09","0.05","100","2","100","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C10 H4 Cl8 N2 Zn -","- C10 H4 Cl8 N2 Zn -","- C20 H8 Cl16 N4 Zn2 -","2","0.25","","Ruimin Wang; Thomas S. Dols; Christian W. Lehmann; Ulli Englert","The halogen bond made visible: experimental charge density of a very short intermolecular ClCl donor-acceptor contact","Chem.Commun.","2012","48","54","6830","6832","10.1039/c2cc32647g","","","0.71073","MoKα","","0.0303","0.0268","","","0.066","0.069","","","","","","1.051","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107903","7.2699","0.001","7.8257","0.0011","13.11","0.002","84.204","0.006","89.28","0.006","62.377","0.005","656.97","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Zn -","- C10 H8 Cl4 N2 Zn -","- C20 H16 Cl8 N4 Zn2 -","2","1","","Ruimin Wang; Thomas S. Dols; Christian W. Lehmann; Ulli Englert","The halogen bond made visible: experimental charge density of a very short intermolecular ClCl donor-acceptor contact","Chem.Commun.","2012","48","54","6830","6832","10.1039/c2cc32647g","","","0.71073","MoKα","","0.0363","0.0271","","","0.0576","0.0587","","","","","","1.012","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107904","12.4404","0.0003","12.4404","0.0003","5.2602","0.0003","90","","90","","90","","814.09","0.05","100","2","100","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C10 H4 Cl8 N2 Zn -","- C10 H4 Cl8 N2 Zn -","- C20 H8 Cl16 N4 Zn2 -","2","0.25","","Ruimin Wang; Thomas S. Dols; Christian W. Lehmann; Ulli Englert","The halogen bond made visible: experimental charge density of a very short intermolecular ClCl donor-acceptor contact","Chem.Commun.","2012","48","54","6830","6832","10.1039/c2cc32647g","","","0.71073","MoKα","","0.031","0.025","","","","0.075","","","","","","1.1399","","","","has coordinates","192338","2020-10-21","18:00:00",""
"7107905","7.2699","0.001","7.8257","0.0011","13.11","0.002","84.204","0.006","89.28","0.006","62.377","0.005","656.97","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 N2 Zn -","- C10 H8 Cl4 N2 Zn -","- C20 H16 Cl8 N4 Zn2 -","2","1","","Ruimin Wang; Thomas S. Dols; Christian W. Lehmann; Ulli Englert","The halogen bond made visible: experimental charge density of a very short intermolecular ClCl donor-acceptor contact","Chem.Commun.","2012","48","54","6830","6832","10.1039/c2cc32647g","","","0.71073","MoKα","","0.034","0.022","","","","0.037","","","","","","0.943","","","","has coordinates","192339","2020-10-21","18:00:00",""
"7107906","11.17","0.002","18.307","0.004","19.714","0.004","64","0.03","80.1","0.03","86.56","0.03","3568.8","1.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","1-Ethynyl-2,2,4,4,5,5-hexakis(2,4,6-trimethylpheny)-3-methyl- 2,4,5-trisila-1,3-distannabicyclo(1.1.1)pentane","1-Ethynyl-2,2,4,4,5,5-hexakis(2,4,6-trimethylpheny)- 3-methyl-2,4,5-trisila-1,3-distannabicyclo[1.1.1]pentane","","- C67.5 H82 Si3 Sn2 -","- C67.5 H82 Si3 Sn2 -","- C135 H164 Si6 Sn4 -","2","1","","Timo Augenstein; Pascual Ona-Burgos; Dominik Nied; Frank Breher","Alkynyl-functionalised and linked bicyclo[1.1.1]pentanes of group 14","Chem.Commun.","2012","48","54","6803","6805","10.1039/c2cc33045h","","","0.71073","MoKα","","0.0671","0.0488","","","0.1381","0.1466","","","","","","0.986","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107907","11.384","0.002","26.502","0.005","19.445","0.004","90","","91.7","0.03","90","","5864","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(prop-1-yn)-2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)-3- methyl-2,4,5-trisila-1,3-distannabicyclo(1.1.1)pentane","1-(prop-1-yn)-2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3-distannabicyclo[1.1.1]pentane","","- C65 H80 Si3 Sn2 -","- C65 H80 Si3 Sn2 -","- C260 H320 Si12 Sn8 -","4","1","","Timo Augenstein; Pascual Ona-Burgos; Dominik Nied; Frank Breher","Alkynyl-functionalised and linked bicyclo[1.1.1]pentanes of group 14","Chem.Commun.","2012","48","54","6803","6805","10.1039/c2cc33045h","","","0.71073","MoKα","","0.0562","0.0436","","","0.1037","0.1114","","","","","","1.058","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107908","13.943","0.003","15.95","0.003","17.865","0.004","113.74","0.03","108.71","0.03","96.95","0.03","3298.2","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","1,2-bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)-3-methyl- 2,4,5-trisila-1,3-distannabicylo(1.1.1)pentan)ethyne","1,2-bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3- distannabicylo[1.1.1]pentan)ethyne","","- C140 H171 N2 Si6 Sn4 -","- C140 H171 N2 Si6 Sn4 -","- C140 H171 N2 Si6 Sn4 -","1","0.5","","Timo Augenstein; Pascual Ona-Burgos; Dominik Nied; Frank Breher","Alkynyl-functionalised and linked bicyclo[1.1.1]pentanes of group 14","Chem.Commun.","2012","48","54","6803","6805","10.1039/c2cc33045h","","","0.71073","MoKα","","0.0819","0.0596","","","0.1559","0.1812","","","","","","1.053","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107909","42.154","0.004","7.883","0.0008","12.4485","0.0012","90","","94.66","0.002","90","","4123","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H68 Al2 N2 O2 -","- C39 H68 Al2 N2 O2 -","- C156 H272 Al8 N8 O8 -","4","0.5","","Yuan Wang; Haiyan Ma","Exploitation of dinuclear salan aluminum complexes for versatile copolymerization of epsilon-caprolactone and L-lactide","Chem.Commun.","2012","48","","6729","","10.1039/c2cc31716h","","","0.71073","MoKα","","0.0983","0.0562","","","0.1342","0.1573","","","","","","1.007","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107910","20.068","0.006","20.068","0.006","28.016","0.011","90","","90","","90","","11283","7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C59 H76 Al2 N2 O2 -","- C59 H76 Al2 N2 O2 -","- C472 H608 Al16 N16 O16 -","8","0.5","","Yuan Wang; Haiyan Ma","Exploitation of dinuclear salan aluminum complexes for versatile copolymerization of epsilon-caprolactone and L-lactide","Chem.Commun.","2012","48","","6729","","10.1039/c2cc31716h","","","0.71073","MoKα","","0.1296","0.0618","","","0.1499","0.1711","","","","","","0.839","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107911","10.584","0.004","11.279","0.004","18.27","0.006","76.059","0.004","74.745","0.004","84.583","0.004","2041.1","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 B9 Cl3 Ir P2 -","- C37 H47 B9 Cl3 Ir P2 -","- C74 H94 B18 Cl6 Ir2 P4 -","2","1","","Zi-Jian Yao; Xian-Kuan Huo; Guo-Xin Jin","Zwitterionic half-sandwich Rh and Ir complexes containing a diphosphine nido-carborane ligand: synthesis, structure transformation and application in H2 activation","Chem.Commun.","2012","48","","6714","","10.1039/c2cc32036c","","","0.71073","MoKα","","0.0522","0.0429","","","0.1","0.1032","","","","","","0.963","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107912","10.556","0.003","11.24","0.004","18.262","0.006","76.758","0.004","74.904","0.004","84.873","0.003","2035.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 B9 Cl3 P2 Rh -","- C37 H47 B9 Cl3 P2 Rh -","- C74 H94 B18 Cl6 P4 Rh2 -","2","1","","Zi-Jian Yao; Xian-Kuan Huo; Guo-Xin Jin","Zwitterionic half-sandwich Rh and Ir complexes containing a diphosphine nido-carborane ligand: synthesis, structure transformation and application in H2 activation","Chem.Commun.","2012","48","","6714","","10.1039/c2cc32036c","","","0.71073","MoKα","","0.048","0.0387","","","0.0996","0.1041","","","","","","1.004","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107913","11.469","0.004","19.555","0.007","17.854","0.007","90","","104.924","0.005","90","","3869","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B9 P2 Rh -","- C36 H44 B9 P2 Rh -","- C144 H176 B36 P8 Rh4 -","4","1","","Zi-Jian Yao; Xian-Kuan Huo; Guo-Xin Jin","Zwitterionic half-sandwich Rh and Ir complexes containing a diphosphine nido-carborane ligand: synthesis, structure transformation and application in H2 activation","Chem.Commun.","2012","48","","6714","","10.1039/c2cc32036c","","","0.71073","MoKα","","0.088","0.0514","","","0.126","0.1352","","","","","","0.904","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107914","9.646","0.003","19.419","0.006","10.436","0.003","90","","110.175","0.003","90","","1834.9","1","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H46 B9 P2 Rh -","- C36 H46 B9 P2 Rh -","- C72 H92 B18 P4 Rh2 -","2","0.5","","Zi-Jian Yao; Xian-Kuan Huo; Guo-Xin Jin","Zwitterionic half-sandwich Rh and Ir complexes containing a diphosphine nido-carborane ligand: synthesis, structure transformation and application in H2 activation","Chem.Commun.","2012","48","","6714","","10.1039/c2cc32036c","","","0.71073","MoKα","","0.0588","0.0488","","","0.1288","0.1358","","","","","","1.065","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107915","20.7712","0.0015","21.1906","0.0016","21.2617","0.0016","61.8254","0.001","81.3113","0.0012","68.0786","0.0011","7649.5","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C143 H170 Cl14 N8 O18 Zn6 -","- C143 H170 Cl14 N8 O18 Zn6 -","- C286 H340 Cl28 N16 O36 Zn12 -","2","1","","Carl Redshaw; Mark R. J. Elsegood; Josef W. A. Frese; Shane Ashby; Yimin Chao; Anja Mueller","Cellular uptake studies of two hexanuclear, carboxylate bridged, zinc ring structures using fluorescence microscopy","Chem.Commun.","2012","48","","6627","","10.1039/c2cc32060f","","","0.7749","synchrotron","","0.114","0.0675","","","0.1641","0.1933","","","","","","1.009","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107916","19.728","0.005","21.182","0.005","29.047","0.006","71.435","0.009","80.205","0.009","75.167","0.009","11071","5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C159 H168 Cl6 N6 O18 Zn6 -","- C158.333 H166.667 Cl4.66667 N6 O18 Zn6 -","- C475 H500 Cl14 N18 O54 Zn18 -","3","1.5","","Carl Redshaw; Mark R. J. Elsegood; Josef W. A. Frese; Shane Ashby; Yimin Chao; Anja Mueller","Cellular uptake studies of two hexanuclear, carboxylate bridged, zinc ring structures using fluorescence microscopy","Chem.Commun.","2012","48","","6627","","10.1039/c2cc32060f","","","0.71073","MoKα","","0.3437","0.1944","","","0.3169","0.3733","","","","","","1.12","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107917","10.6088","0.0009","15.04","0.0013","16.0365","0.0016","90","","90","","90","","2558.7","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl N O3 P Re -","- C28 H22 Cl N O3 P Re -","- C112 H88 Cl4 N4 O12 P4 Re4 -","4","1","","Eszter Takacs; Aude Escande; Nicolas Vanthuyne; Christian Roussel; Christophe Lescop; Elisabeth Guinard; Camille Latouche; Abdou Boucekkine; Jeanne Crassous; Regis Reau; Muriel Hissler","Rhenium complexes bearing phosphole-pyridine chelates: simple molecules with large chiroptical properties","Chem.Commun.","2012","48","","6705","","10.1039/c2cc32542j","","","0.71073","MoKα","","0.0505","0.0409","","","0.0792","0.0826","","","","","","0.938","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107918","11.2329","0.0008","14.0307","0.0012","17.938","0.0014","90","","90","","90","","2827.1","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl3 N O3 P Re -","- C29 H24 Cl3 N O3 P Re -","- C116 H96 Cl12 N4 O12 P4 Re4 -","4","1","","Eszter Takacs; Aude Escande; Nicolas Vanthuyne; Christian Roussel; Christophe Lescop; Elisabeth Guinard; Camille Latouche; Abdou Boucekkine; Jeanne Crassous; Regis Reau; Muriel Hissler","Rhenium complexes bearing phosphole-pyridine chelates: simple molecules with large chiroptical properties","Chem.Commun.","2012","48","","6705","","10.1039/c2cc32542j","","","0.71073","MoKα","","0.027","0.0241","","","0.0581","0.0814","","","","","","1.102","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107919","4.7611","0.0002","13.0291","0.0006","23.953","0.001","90","","90","","90","","1485.87","0.11","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Brandon Djukic; Dmitrii Perepichka","Unexpected formation of a cyclic vinylene sulfate in the synthesis of ethynyl-substituted acenes","Chem.Commun.","2012","48","","6651","","10.1039/c2cc32805d","","","1.54178","CuKα","","0.037","0.0345","","","0.0963","0.099","","","","","","1.023","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107920","14.5106","0.0006","18.8272","0.0007","29.1708","0.0012","90","","100.686","0.002","90","","7831.1","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Si2 -","- C44 H56 Si2 -","- C352 H448 Si16 -","8","2","","Brandon Djukic; Dmitrii Perepichka","Unexpected formation of a cyclic vinylene sulfate in the synthesis of ethynyl-substituted acenes","Chem.Commun.","2012","48","","6651","","10.1039/c2cc32805d","","","1.54178","CuKα","","0.1163","0.0979","","","0.274","0.2912","","","","","","1.092","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107921","8.479","0.0004","15.5718","0.0007","15.9893","0.0007","86.192","0.002","79.705","0.002","76.941","0.002","2022.67","0.16","100","","100","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C44 H56 O4 S Si2 -","- C44 H56 O4 S Si2 -","- C88 H112 O8 S2 Si4 -","2","1","","Brandon Djukic; Dmitrii Perepichka","Unexpected formation of a cyclic vinylene sulfate in the synthesis of ethynyl-substituted acenes","Chem.Commun.","2012","48","","6651","","10.1039/c2cc32805d","","","1.54178","CuKα","","0.038","0.0357","","","0.1011","0.1039","","","","","","1.051","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107922","9.955","0.002","11.603","0.003","25.865","0.005","90","","96.16","0.009","90","","2970.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 Cl2 N2 O Ti -","- C33 H36 Cl2 N2 O Ti -","- C132 H144 Cl8 N8 O4 Ti4 -","4","1","","Rachel Klet; David VanderVelde; Jay Labinger; John E. Bercaw","Highly regioirregular polypropylene from asymmetric group 4 anilide(pyridine)phenoxide complexes","Chem.Commun.","2012","48","","6657","","10.1039/c2cc32806b","","","0.71073","MoKα","","0.0509","0.0384","","","0.1052","0.1146","","","","","","1.057","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107923","26.884","0.01","26.884","0.01","18.121","0.01","90","","90","","120","","11342","9","173","2","173","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C8 H5.5 N7 O2.25 Zn -","- C10 H5 N5 O2.25 Zn -","- C240 H120 N120 O54 Zn24 -","24","1","","Jurgen Kahr; Alexandra M. Z. Slawin; John P. S. Mowat; David Fairen-Jimenez; Paul A. Wright","Synthetic control of framework zinc purinate crystallisation and properties of a large pore, decorated, mixed-linker RHO-type ZIF","Chem.Commun.","2012","48","","6690","","10.1039/c2cc32927a","","","1.54178","CuKα","","0.2721","0.2365","","","0.5451","0.5589","","","","","","2.093","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107924","13.636","0.007","10.209","0.005","14.124","0.007","90","","91.568","0.009","90","","1965.5","1.7","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11.5 H9.5 Br2 N8.5 O0.5 Zn2 -","- C11.5 H9.5 Br2 N8.5 O0.5 Zn2 -","- C46 H38 Br8 N34 O2 Zn8 -","4","1","","Jurgen Kahr; Alexandra M. Z. Slawin; John P. S. Mowat; David Fairen-Jimenez; Paul A. Wright","Synthetic control of framework zinc purinate crystallisation and properties of a large pore, decorated, mixed-linker RHO-type ZIF","Chem.Commun.","2012","48","","6690","","10.1039/c2cc32927a","","","0.71075","MoKα","","0.064","0.0561","","","0.1052","0.1082","","","","","","1.211","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107925","15.02","0.03","15.02","0.03","9.57","0.019","90","","90","","90","","2159","7","93","2","93","2","","","","","","","","5","I -4","I -4","82","","","","- C7 H6 N4 O2 Zn -","- C7 H6 N4 O2 Zn -","- C56 H48 N32 O16 Zn8 -","8","1","","Jurgen Kahr; Alexandra M. Z. Slawin; John P. S. Mowat; David Fairen-Jimenez; Paul A. Wright","Synthetic control of framework zinc purinate crystallisation and properties of a large pore, decorated, mixed-linker RHO-type ZIF","Chem.Commun.","2012","48","","6690","","10.1039/c2cc32927a","","","0.71073","MoKα","","0.0753","0.0748","","","0.2167","0.2174","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107926","29.044","0.006","29.044","0.006","29.044","0.006","90","","90","","90","","24500","9","173","","173","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C8.5 H6.75 N7.5 O3.55 Zn1.33 -","- C10.505 H5 N5.51 O3.54833 Zn1.33 -","- C504.24 H240 N264.48 O170.32 Zn63.84 -","48","0.5","","Jurgen Kahr; Alexandra M. Z. Slawin; John P. S. Mowat; David Fairen-Jimenez; Paul A. Wright","Synthetic control of framework zinc purinate crystallisation and properties of a large pore, decorated, mixed-linker RHO-type ZIF","Chem.Commun.","2012","48","","6690","","10.1039/c2cc32927a","","","1.54187","CuKα","","0.136","0.1343","","","0.3664","0.3671","","","","","","3.355","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107927","9.2021","0.0007","10.3321","0.0007","11.8365","0.0009","73.85","0.002","78.692","0.002","65.084","0.002","976.33","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl N2 Pd -","- C22 H25 Cl N2 Pd -","- C44 H50 Cl2 N4 Pd2 -","2","1","","Jose-Antonio Garcia-Lopez; Maria-Jose Oliva-Madrid; Isabel Saura-lamas; Delia Bautista; Jose Vicente","Insertion of benzyne into the Pd-C bond. Synthesis of unnatural amino acid derivatives by sequential insertion of benzyne and CO: 2,2'-functionalized biaryls containing alkylamino and carboxymethyl substituents. Isolation of stable carbopalladated-benzyne intermediates","Chem.Commun.","2012","48","","6744","","10.1039/c2cc32975a","","","0.71073","MoKα","","0.0229","0.022","","","0.0531","0.0536","","","","","","1.094","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107928","8.8675","0.0007","13.5117","0.0011","15.0521","0.0012","68.116","0.002","79.424","0.002","75.791","0.002","1613.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H35 Br Cl2 N O2 P Pd -","- C35 H35 Br Cl2 N O2 P Pd -","- C70 H70 Br2 Cl4 N2 O4 P2 Pd2 -","2","1","","Jose-Antonio Garcia-Lopez; Maria-Jose Oliva-Madrid; Isabel Saura-lamas; Delia Bautista; Jose Vicente","Insertion of benzyne into the Pd-C bond. Synthesis of unnatural amino acid derivatives by sequential insertion of benzyne and CO: 2,2'-functionalized biaryls containing alkylamino and carboxymethyl substituents. Isolation of stable carbopalladated-benzyne intermediates","Chem.Commun.","2012","48","","6744","","10.1039/c2cc32975a","","","0.71073","MoKα","","0.0316","0.0289","","","0.0713","0.0727","","","","","","1.035","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107929","13.283","0.003","8.333","0.0014","15.16","0.003","90","","101.272","0.002","90","","1645.7","0.6","123.15","","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N -","- C21 H21 N -","- C84 H84 N4 -","4","1","","Kazuhiro Hata; Yasutomo Segawa; Kenichiro Itami","1,3,5-Triaryl 2-pyridylidene: base-promoted generation and complexation","Chem.Commun.","2012","48","","6642","","10.1039/c2cc33184e","","","0.7107","MoKα","","0.0495","0.0414","","","0.0988","0.104","","","","","","1.045","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107930","14.1166","0.0019","17.674","0.002","14.3488","0.0019","90","","107.585","0.0018","90","","3412.7","0.8","123.15","","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 F3 N O3 S -","- C38 H40 F3 N O3 S -","- C152 H160 F12 N4 O12 S4 -","4","1","","Kazuhiro Hata; Yasutomo Segawa; Kenichiro Itami","1,3,5-Triaryl 2-pyridylidene: base-promoted generation and complexation","Chem.Commun.","2012","48","","6642","","10.1039/c2cc33184e","","","0.7107","MoKα","","0.0503","0.0435","","","0.1028","0.1081","","","","","","1.067","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107931","11.751","0.004","19.429","0.006","22.402","0.007","90","","97.269","0.006","90","","5073","3","123.15","","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N S -","- C30 H31 N S -","- C240 H248 N8 S8 -","8","2","","Kazuhiro Hata; Yasutomo Segawa; Kenichiro Itami","1,3,5-Triaryl 2-pyridylidene: base-promoted generation and complexation","Chem.Commun.","2012","48","","6642","","10.1039/c2cc33184e","","","0.7107","MoKα","","0.159","0.1084","","","0.2705","0.3154","","","","","","1.088","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107932","13.666","0.003","16.763","0.003","15.097","0.003","90","","111.758","0.003","90","","3212.1","1.1","123.15","","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 Au Cl N -","- C37 H39 Au Cl N -","- C148 H156 Au4 Cl4 N4 -","4","1","","Kazuhiro Hata; Yasutomo Segawa; Kenichiro Itami","1,3,5-Triaryl 2-pyridylidene: base-promoted generation and complexation","Chem.Commun.","2012","48","","6642","","10.1039/c2cc33184e","","","0.7107","MoKα","","0.0905","0.0845","","","0.2331","0.2359","","","","","","1.198","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107933","9.355","0.004","13.05","0.005","13.097","0.004","62.601","0.011","79.653","0.016","89.316","0.018","1391.9","0.9","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H41 N -","- C34 H41 N -","- C68 H82 N2 -","2","1","","Kazuhiro Hata; Yasutomo Segawa; Kenichiro Itami","1,3,5-Triaryl 2-pyridylidene: base-promoted generation and complexation","Chem.Commun.","2012","48","","6642","","10.1039/c2cc33184e","","","0.7107","MoKα","","0.0706","0.0489","","","0.1227","0.1361","","","","","","0.968","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107934","11.727","0.003","12.934","0.003","15.91","0.004","98.919","0.002","105.428","0.005","93.867","0.004","2283.1","1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H29 N -","- C30 H29 N -","- C120 H116 N4 -","4","2","","Kazuhiro Hata; Yasutomo Segawa; Kenichiro Itami","1,3,5-Triaryl 2-pyridylidene: base-promoted generation and complexation","Chem.Commun.","2012","48","","6642","","10.1039/c2cc33184e","","","0.7107","MoKα","","0.1384","0.077","","","0.1595","0.1913","","","","","","1.062","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107935","19.244","0.003","19.244","0.003","16.406","0.003","90","","90","","90","","6075.7","1.7","293","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C46 H48 Co8 N6 O27 -","- C46 H46 Co8 N7.424 O27 -","- C184 H184 Co32 N29.696 O108 -","4","0.25","","Jiong-Peng Zhao; Qian Yang; Zhong-Yi Liu; Ran Zhao; Bo-Wen Hu; Miao Du; Ze Chang; Xian-He Bu","A unique substituted Co(II)-formate coordination framework exhibits weak ferromagnetic single-chain-magnet like behavior","Chem.Commun.","2012","48","","6568","","10.1039/c2cc31204b","","","0.71073","MoKα","","0.1054","0.0872","","","0.1693","0.1764","","","","","","1.352","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107936","10.9681","0.0009","10.9681","0.0009","9.719","0.001","90","","90","","90","","1169.19","0.18","223","","223","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C22 H22 N4 O8 Zn2 -","- C22 N4 O8 Zn2 -","- C22 N4 O8 Zn2 -","1","0.0625","","Kenji Hirai; Shuhei Furukawa; Mio Kondo; Mikhail Meilikhov; Yoko Sakata; Osami Sakata; Susumu Kitagawa","Targeted functionalisation of a hierarchically-structured porous coordination polymer crystal enhances its entire function","Chem.Commun.","2012","48","","6472","","10.1039/c2cc31421e","","","0.7107","MoKα","","","0.0815","","","","0.3022","","","","","","1.177","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107937","8.6061","0.0008","9.5866","0.0011","19.364","0.002","82.273","0.004","80.021","0.003","89.854","0.003","1558.8","0.3","296","","296","","","","","","","","","6","P 1","P 1","1","","","","- C30 H41 N O4 S Sn -","- C30 H41 N O4 S Sn -","- C60 H82 N2 O8 S2 Sn2 -","2","2","","Akio Kamimura; Shingo Ishikawa; Fumiaki Noguchi; Takaaki Moriyama; Masahiro So; Toshihiro Murafuji; Hidemitsu Uno","Unexpected formation of stannolanes and trigonal bipyramidal tin complexes by radical cyclization reaction","Chem.Commun.","2012","48","","6592","","10.1039/c2cc31753b","","","0.71075","MoKα","","","0.058","","","","0.1796","","","","","","1.071","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107938","9.403","0.0003","10.4777","0.0004","36.3472","0.0012","90","","90","","90","","3581","0.2","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O4 S Sn -","- C33 H48 Cl N O4 S Sn -","- C132 H192 Cl4 N4 O16 S4 Sn4 -","4","1","","Akio Kamimura; Shingo Ishikawa; Fumiaki Noguchi; Takaaki Moriyama; Masahiro So; Toshihiro Murafuji; Hidemitsu Uno","Unexpected formation of stannolanes and trigonal bipyramidal tin complexes by radical cyclization reaction","Chem.Commun.","2012","48","","6592","","10.1039/c2cc31753b","","","0.71075","MoKα","","","0.0308","","","","0.0812","","","","","","1.05","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7107939","14.306","0.002","19.509","0.003","36.482","0.005","90","","99.629","0.0009","90","","10039","2","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H62 Cd3 N2 O17 -","- C84 H56 Cd3 N2 O17 -","- C336 H224 Cd12 N8 O68 -","4","1","","Yabing He; Zhangjing Zhang; Shengchang Xiang; Frank R. Fronczek; Rajamani Krishna; Banglin Chen","A robust doubly interpenetrated metal-organic framework constructed from a novel aromatic tricarboxylate for highly selective separation of small hydrocarbons","Chem.Commun.","2012","48","","6493","","10.1039/c2cc31792c","","","0.71073","MoKα","","0.109","0.0594","","","0.1586","0.1744","","","","","","1.022","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107940","9.5302","0.001","9.0426","0.0009","14.3609","0.0015","90","","95.873","0.002","90","","1231.1","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 O20 P2 V3 -","- C14 H22 O20 P2 V3 -","- C28 H44 O40 P4 V6 -","2","1","","Xiao-Jing Yang; Song-Song Bao; Tao Zheng; Li-Min Zheng","An enantioenriched vanadium phosphonate generated via asymmetric chiral amplification of crystallization from achiral sources showing a single-crystal-to-single-crystal dehydration process","Chem.Commun.","2012","48","","6565","","10.1039/c2cc32214e","","","0.71073","MoKα","","0.0503","0.049","","","0.1251","0.1268","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107941","14.478","0.004","9.033","0.002","9.404","0.002","90","","96.109","0.006","90","","1222.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O17 P2 V3 -","- C14 H16 O17 P2 V3 -","- C28 H32 O34 P4 V6 -","2","0.5","","Xiao-Jing Yang; Song-Song Bao; Tao Zheng; Li-Min Zheng","An enantioenriched vanadium phosphonate generated via asymmetric chiral amplification of crystallization from achiral sources showing a single-crystal-to-single-crystal dehydration process","Chem.Commun.","2012","48","","6565","","10.1039/c2cc32214e","","","0.71073","MoKα","","0.1073","0.064","","","0.1531","0.172","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107942","8.2634","0.0003","20.1251","0.0007","30.4131","0.0011","90","","90","","90","","5057.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","F 2 d d","F -2d 2","43","","","","- C13 H14 N O2 S -","- C13 H14 N O2 S -","- C208 H224 N16 O32 S16 -","16","1","","Sathiyamoorthy Murugesan; Fan Jiang; Mathieu Achard; Christian Bruneau; Sylvie Derien","Regio- and stereoselective syntheses of piperidine derivatives via ruthenium-catalyzed coupling of propargylic amides and allylic alcohols","Chem.Commun.","2012","48","","6589","","10.1039/c2cc32497k","","x-ray","0.71073","MoKα","","0.0364","0.0341","","","0.0818","0.0837","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107943","65.41","0.02","11.699","0.004","25.152","0.008","90","","95.619","0.005","90","","19155","11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 Cl3 N3 O5 -","- C31 H30 Cl3 N3 O5 -","- C744 H720 Cl72 N72 O120 -","24","3","","Yasmin Saima; Saikat Khamarui; Krishnanka S. Gayen; Palash Pandit; Dilip K. Maiti","Efficient catalytic cyclizations of three and two imine assemblies: direct access to tetrahydroimidazo[1,5-c]imidazol-7-ones and imidazoles","Chem.Commun.","2012","48","","6601","","10.1039/c2cc32760k","","","0.71073","MoKα","","0.1195","0.0742","","","0.2204","0.2811","","","","","","0.975","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107944","10.5163","0.0005","12.2376","0.0006","18.5565","0.0006","99.611","0.003","94.095","0.002","101.605","0.002","2292.79","0.18","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H54 Cu I N2 P2 -","- C54 H54 Cu I N2 P2 -","- C108 H108 Cu2 I2 N4 P4 -","2","2","","Paul D. Newman; Kingsley J. Cavell; Benson M. Kariuki","Monovalent chiral-at-copper complexes: halide-controlled diastereoselectivity","Chem.Commun.","2012","48","","6511","","10.1039/c2cc33036a","","","0.71073","MoKα","","0.1118","0.0713","","","0.1441","0.1642","","","","","","1.083","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107945","12.6976","0.0004","21.9195","0.0005","22.0585","0.0005","97.683","0.002","101.995","0.002","96.078","0.002","5894.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C149.5 H121.5 N19.5 Ni -","- C147 H119 N19 Ni -","- C294 H238 N38 Ni2 -","2","1","","Lin Jiang; Ross Zaenglein; James Engle; Chris Mittal; Christopher Hartley; Christopher Ziegler; Hong Wang","Water-soluble ionic benzoporphyrins","Chem.Commun.","2012","48","","6927","","10.1039/c2cc31057k","","","1.54178","CuKα","","0.1001","0.0787","","","0.2499","0.2723","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107946","29.684","0.003","8.3463","0.0005","30.084","0.003","90","","118.768","0.006","90","","6533.4","1.1","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Si4 Sn2 Te4 -","- C56 H92 Si4 Sn2 Te4 -","- C224 H368 Si16 Sn8 Te16 -","4","1","","Stephan Traut; Carsten von Hanisch; Alexander Peter Hahnel; Sven Stahl","Cyclic and polycyclic tellurium-tin and tellurium-lead compounds ‒ synthesis, structures and thermal decomposition","Chem.Commun.","2012","48","","6984","","10.1039/c2cc32615a","","","0.71073","MoKα","","0.1948","0.0716","","","0.0895","0.123","","","","","","0.815","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107947","25.621","0.007","8.172","0.0016","31.76","0.006","90","","90.06","0.03","90","","6650","3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H92 Pb2 Si4 Te4 -","- C56 H92 Pb2 Si4 Te4 -","- C224 H368 Pb8 Si16 Te16 -","4","0.5","","Stephan Traut; Carsten von Hanisch; Alexander Peter Hahnel; Sven Stahl","Cyclic and polycyclic tellurium-tin and tellurium-lead compounds ‒ synthesis, structures and thermal decomposition","Chem.Commun.","2012","48","","6984","","10.1039/c2cc32615a","","","0.71073","MoKα","","0.0344","0.0275","","","0.0673","0.0694","","","","","","0.974","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107948","13.762","0.006","19.778","0.007","25.104","0.013","90","","103.36","0.04","90","","6648","5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H100 Pb2 Si8 Te2 -","- C48 H100 Pb2 Si8 Te2 -","- C192 H400 Pb8 Si32 Te8 -","4","1","","Stephan Traut; Carsten von Hanisch; Alexander Peter Hahnel; Sven Stahl","Cyclic and polycyclic tellurium-tin and tellurium-lead compounds ‒ synthesis, structures and thermal decomposition","Chem.Commun.","2012","48","","6984","","10.1039/c2cc32615a","","","0.71073","MoKα","","0.1312","0.0689","","","0.1458","0.1732","","","","","","0.953","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107949","9.5474","0.0019","26.049","0.005","17.285","0.004","90","","91.7","0.03","90","","4296.9","1.6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H108 Si16 Sn4 Te6 -","- C36 H108 Si16 Sn4 Te6 -","- C72 H216 Si32 Sn8 Te12 -","2","0.5","","Stephan Traut; Carsten von Hanisch; Alexander Peter Hahnel; Sven Stahl","Cyclic and polycyclic tellurium-tin and tellurium-lead compounds ‒ synthesis, structures and thermal decomposition","Chem.Commun.","2012","48","","6984","","10.1039/c2cc32615a","","","0.71073","MoKα","","0.054","0.0411","","","0.0939","0.0988","","","","","","1.052","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107950","14.833","0.002","16.5643","0.0012","16.577","0.0012","119.774","0.001","100.183","0.001","90.507","0.001","3457.3","0.6","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H99 Dy3 N10 O28 -","- C51 H89 Dy3 N10 O28 -","- C102 H178 Dy6 N20 O56 -","2","1","","Shuang-Yan Lin; Yun-Nan Guo; Yang Guo; Lang Zhao; Peng Zhang; Hongshan Ke; Jinkui Tang","Macrocyclic ligand encapsulating dysprosium triangles: axial ligands perturbed magnetic dynamics","Chem.Commun.","2012","48","","6924","","10.1039/c2cc32827e","","","0.71073","MoKα","","0.0639","0.0425","","","0.1033","0.1224","","","","","","1.067","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107951","16.9137","0.0012","16.8688","0.0012","29.163","0.002","90","","90.316","0.001","90","","8320.5","1","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H85 Dy3 N10 O12 S4 -","- C52 H77 Dy3 N10 O12 S4 -","- C208 H308 Dy12 N40 O48 S16 -","4","1","","Shuang-Yan Lin; Yun-Nan Guo; Yang Guo; Lang Zhao; Peng Zhang; Hongshan Ke; Jinkui Tang","Macrocyclic ligand encapsulating dysprosium triangles: axial ligands perturbed magnetic dynamics","Chem.Commun.","2012","48","","6924","","10.1039/c2cc32827e","","","0.71073","MoKα","","0.1408","0.0805","","","0.2235","0.2584","","","","","","1.047","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107952","17.1131","0.0002","17.1131","0.0002","18.5626","0.0003","90","","90","","90","","5436.21","0.13","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C22 H32 Cl2 Mg2 N2 O3 -","- C22 H32 Cl2 Mg2 N2 O3 -","- C176 H256 Cl16 Mg16 N16 O24 -","8","0.5","","Chengzhong Cui; Roger A. Lalancette; Frieder Jakle","The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate","Chem.Commun.","2012","48","","6930","","10.1039/c2cc33059h","","","1.54178","CuKα","","0.045","0.043","","","0.12","0.122","","","","","","1.1","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107953","9.5834","0.0002","13.3508","0.0003","17.3829","0.0004","86.769","0.001","86.723","0.001","70.469","0.001","2091.03","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 B N3 -","- C25 H26 B N3 -","- C100 H104 B4 N12 -","4","2","","Chengzhong Cui; Roger A. Lalancette; Frieder Jakle","The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate","Chem.Commun.","2012","48","","6930","","10.1039/c2cc33059h","","","1.54178","CuKα","","0.045","0.041","","","0.108","0.111","","","","","","1.02","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107954","18.0553","0.0002","10.0207","0.0001","26.1009","0.0004","90","","105.384","0.001","90","","4553.15","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 B2 Fe N6 -","- C57 H58 B2 Fe N6 -","- C228 H232 B8 Fe4 N24 -","4","0.5","","Chengzhong Cui; Roger A. Lalancette; Frieder Jakle","The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate","Chem.Commun.","2012","48","","6930","","10.1039/c2cc33059h","","","1.54178","CuKα","","0.037","0.033","","","0.087","0.09","","","","","","1.05","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107955","27.5963","0.0005","12.7473","0.0002","13.6801","0.0002","90","","90","","90","","4812.36","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H50 B2 Cl4 Fe2 N6 -","- C50 H50 B2 Cl4 Fe2 N6 -","- C200 H200 B8 Cl16 Fe8 N24 -","4","1","","Chengzhong Cui; Roger A. Lalancette; Frieder Jakle","The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate","Chem.Commun.","2012","48","","6930","","10.1039/c2cc33059h","","","1.54178","CuKα","","0.045","0.037","","","0.081","0.084","","","","","","1.02","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107956","7.2761","0.0004","7.6312","0.0005","14.6614","0.001","90","","95.224","0.005","90","","810.7","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((2S,3S)-1-(4-methoxyphenyl)-2-(3-nitrophenyl) pyrrolidin-3-yl)methanol","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","1","","Indresh Kumar; Nisar A. Mir; Vivek K. Gupta; Rajnikant","An organocatalytic direct Mannich-cyclization cascade as [3+2] annulation: asymmetric synthesis of 2,3-substituted pyrrolidines","Chem.Commun.","2012","48","","6975","","10.1039/c2cc33103a","","","0.71073","MoKα","","0.074","0.0467","","","0.092","0.1046","","","","","","1.041","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107957","52.557","0.003","52.557","0.003","52.557","0.003","90","","90","","90","","145175","14","291","2","291","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C17 H11 Cu N O6 -","- C17 H11 Cu N O6 -","- C1632 H1056 Cu96 N96 O576 -","96","0.5","","Junfeng Bai; Baishu Zheng; Yizhi Li; Zhen Yang; Shuhua Li","High and selective CO2 capture by two mesoporous acylamide-functionalized rht-type metal-organic frameworks","Chem.Commun.","2012","48","","7025","","10.1039/c2cc17593b","","","0.71073","MoKα","","0.062","0.0398","","","0.1094","0.1202","","","","","","1.035","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107958","20.1187","0.0008","27.8381","0.0011","21.6131","0.0009","90","","103.734","0.001","90","","11758.7","0.8","191","2","191","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H99 Cl3 Dy4 N26 O34 -","- C109 H90 Cl3 Dy4 N26 O34 -","- C436 H360 Cl12 Dy16 N104 O136 -","4","1","","Shufang Xue; Lang Zhao; Yun-Nan Guo; Xiao-Hua Chen; Jinkui Tang","Field enhanced thermally activated mechanism in a square Dy4 aggregate","Chem.Commun.","2012","48","","7031","","10.1039/c2cc31864d","","","0.71073","MoKα","","0.0898","0.0452","","","0.101","0.1325","","","","","","1.03","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107959","9.439","0.003","16.6","0.004","18.026","0.004","90","","90","","90","","2824.4","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 N O3 S -","- C11 H21 N O3 S -","- C88 H168 N8 O24 S8 -","8","2","","Sachitanand M. Mali; Sandip V. Jadhav; Hosahudya N. Gopi","Copper(II) mediated facile and ultra fast peptide synthesis in methanol","Chem.Commun.","2012","48","","7085","","10.1039/c2cc32581k","","","0.71073","MoKα","","0.1209","0.0628","","","0.1378","0.1676","","","","","","0.934","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107960","11.0644","0.0004","10.4214","0.0005","17.6016","0.0008","90","","97.73","0.003","90","","2011.14","0.15","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N -","- C28 H21 N -","- C112 H84 N4 -","4","1","","Carsten Glock; Helmar Gorls; Matthias Westerhausen","Calciate-mediated intermolecular hydroamination of diphenylbutadiyne with secondary anilines","Chem.Commun.","2012","48","","7094","","10.1039/c2cc32790b","","","0.71073","MoKα","","0.0637","0.0481","","","0.1078","0.1183","","","","","","1.076","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107961","9.7453","0.0002","11.3478","0.0002","17.388","0.0002","90","","94.617","0.001","90","","1916.66","0.06","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N -","- C25 H23 N -","- C100 H92 N4 -","4","1","","Carsten Glock; Helmar Gorls; Matthias Westerhausen","Calciate-mediated intermolecular hydroamination of diphenylbutadiyne with secondary anilines","Chem.Commun.","2012","48","","7094","","10.1039/c2cc32790b","","","0.71073","MoKα","","0.0444","0.0389","","","0.0946","0.0994","","","","","","1.012","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107962","10.0932","0.0003","11.9758","0.0003","13.0546","0.0003","78.709","0.002","71.546","0.002","89.447","0.001","1465.53","0.07","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H31 N -","- C41 H31 N -","- C82 H62 N2 -","2","1","","Carsten Glock; Helmar Gorls; Matthias Westerhausen","Calciate-mediated intermolecular hydroamination of diphenylbutadiyne with secondary anilines","Chem.Commun.","2012","48","","7094","","10.1039/c2cc32790b","","","0.71073","MoKα","","0.0757","0.0624","","","0.1335","0.141","","","","","","1.077","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107963","8.5141","0.0017","11.318","0.002","26.647","0.005","90","","90","","90","","2567.8","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N4 O7 -","- C26 H22 Cl2 N4 O7 -","- C104 H88 Cl8 N16 O28 -","4","1","","Fei Yang; Yugen Zhu; Biao Yu","A dramatic concentration effect on the stereoselectivity of N-glycosylation for the synthesis of 2'-deoxy-beta-ribonucleosides","Chem.Commun.","2012","48","","7097","","10.1039/c2cc33155a","","","1.54178","CuKα","","0.0431","0.038","","","0.0968","0.1007","","","","","","1.075","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107964","5.431","0.0005","19.467","0.0017","30.338","0.003","90","","90","","90","","3207.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Br N5 O9 -","- C31 H32 Br N5 O9 -","- C124 H128 Br4 N20 O36 -","4","1","","Fei Yang; Yugen Zhu; Biao Yu","A dramatic concentration effect on the stereoselectivity of N-glycosylation for the synthesis of 2'-deoxy-beta-ribonucleosides","Chem.Commun.","2012","48","","7097","","10.1039/c2cc33155a","","","0.71073","MoKα","","0.0705","0.0441","","","0.0915","0.1036","","","","","","1.008","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107965","14.7427","0.0009","19.1083","0.0012","8.234","0.0005","90","","91.668","0.002","90","","2318.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","GU1188","","","- C21 H18 Cl4 N O3 Rh -","- C21 H18 Cl4 N O3 Rh -","- C84 H72 Cl16 N4 O12 Rh4 -","4","1","","Gael Ung; Daniel Mendoza-Espinosa; Guy Bertrand","Ynamides: stable ligand equivalents of unstable oxazol-4-ylidenes (novel mesoionic carbenes)","Chem.Commun.","2012","48","","7088","","10.1039/c2cc33319h","","","0.71073","MoKα","","0.0737","0.0419","","","0.0995","0.115","","","","","","1.005","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107966","14.328","0.007","11.798","0.006","16.315","0.008","90","","116.046","0.004","90","","2478","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O3 S -","- C30 H24 N2 O3 S -","- C120 H96 N8 O12 S4 -","4","1","","Gang Liu; Hongliang Liu; Guanyinsheng Qiu; Shouzhi Pu; Jie Wu","An unexpected silver triflate-catalyzed tandem reaction of N'-(2-alkynylbenzylidene)hydrazide with ketene","Chem.Commun.","2012","48","","7049","","10.1039/c2cc33375a","","","0.71073","MoKα","","0.09","0.0742","","","0.1679","0.1825","","","","","","1.021","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107967","18.0024","0.0014","18.0024","0.0014","46.984","0.004","90","","90","","120","","13186.9","1.8","173","","173","","","","","","","","","6","P 65","P 65","170","","","","- C84 H102 Fe3 I N27 Ni2 -","- C84 H102 Fe3 I N27 Ni2 -","- C504 H612 Fe18 I6 N162 Ni12 -","6","1","","Makoto Tadokoro; Yasuko Tanaka; Khoichiro Noguchi; Tomoaki Sugaya; Kyosuke Isoda","Molecular cable-like 1-D iodic spiral chains covered with triple helices stabilized in guest-included chiral porous framework","Chem.Commun.","2012","48","","7155","","10.1039/c2cc32289g","","","0.71073","MoKα","","0.1427","0.1058","","","0.2585","0.271","","","","","","1.435","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107968","10.9077","0.0005","28.9688","0.0009","14.567","0.0006","90","","109.451","0.003","90","","4340.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 F12 N7 O2 P2 Si -","- C44 H33 F12 N7 O2 P2 Si -","- C176 H132 F48 N28 O8 P8 Si4 -","4","1","","Yonggang Xiang; Chen Fu; Tom Breiding; Pijus K. Sasmal; Haidong Liu; Klaus Harms; Qi Shen; Lilu Zhang; Eric Meggers","Hydrolytically stable octahedral silicon complexes as bioactive scaffolds: application to the design of DNA intercalators","Chem.Commun.","2012","48","","7131","","10.1039/c2cc32506c","","","0.71073","MoKα","","0.0796","0.0415","","","0.0886","0.0955","","","","","","0.823","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107969","10.3484","0.0003","12.9522","0.0003","20.1312","0.0005","90.823","0.002","92.058","0.002","91.539","0.002","2695.25","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H36 O10 S5 -","- C80 H36 O10 S5 -","- C160 H72 O20 S10 -","2","1","","Khakina, Ekaterina; Yurkova, Anastasiya; Peregudov, Alexander; Troyanov, Sergey; Trush, Vyacheslav; Vovk, Andrey; Mumyatov, Alexander; Martynenko, Vyacheslav; Balzarini, Jan; Troshin, Pavel","Highly selective reactions of C60Cl6 with thiols for the synthesis of functionalized [60]fullerene derivatives","Chem.Commun.","2012","48","","7158","","10.1039/c2cc32517a","","","0.71073","MoKα","","0.0619","0.0529","","","0.1363","0.1414","","","","","","1.017","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107970","12.8587","0.0001","13.3769","0.0001","20.2366","0.0002","87.9016","0.0004","80.6774","0.0004","82.2782","0.0005","3403.37","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H74 B2 F25 P3 Rh -","- C59 H74.01 B2 F24.99 P3 Rh -","- C118 H148.02 B4 F49.98 P6 Rh2 -","2","1","","Miguel A. Huertos; Andrew S. Weller","Intermediates in the Rh-catalysed dehydrocoupling of phosphine-borane","Chem.Commun.","2012","48","","7185","","10.1039/c2cc32696e","","","0.71073","MoKα","","0.0543","0.0427","","","0.1014","0.1087","","","","","","1.041","","","","has coordinates,has disorder","180183","2020-10-21","18:00:00",""
"7107971","13.908","0.0011","9.1333","0.0005","13.1805","0.0007","90","","101.093","0.006","90","","1642.98","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N5 O3 Re -","- C12 H11 Br N5 O3 Re -","- C48 H44 Br4 N20 O12 Re4 -","4","1","","Celedonio M. Alvarez; Luis A. Garcia-Escudero; Raul Garcia-Rodriguez; Daniel Miguel","Beyond click chemistry^ spontaneous C-triazolyl transfer from copper to rhenium and transformation into mesoionic C-triazolylidene carbene","Chem.Commun.","2012","48","","7209","","10.1039/c2cc32725b","","","0.71073","MoKα","","0.065","0.0455","","","0.0917","0.1061","","","","","","1.04","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107972","8.833","0.004","9.312","0.004","14.44","0.007","71.824","0.009","77.963","0.009","78.79","0.01","1092.9","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br Cu N5 O3 Re -","- C20 H16 Br Cu N5 O3 Re -","- C40 H32 Br2 Cu2 N10 O6 Re2 -","2","1","","Celedonio M. Alvarez; Luis A. Garcia-Escudero; Raul Garcia-Rodriguez; Daniel Miguel","Beyond click chemistry^ spontaneous C-triazolyl transfer from copper to rhenium and transformation into mesoionic C-triazolylidene carbene","Chem.Commun.","2012","48","","7209","","10.1039/c2cc32725b","","","0.71073","MoKα","","0.1302","0.0734","","","0.1618","0.189","","","","","","0.981","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107973","7.2895","0.0005","9.7173","0.0007","15.3974","0.001","73.505","0.006","86.389","0.005","70.454","0.006","984.89","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N5 O3 Re -","- C20 H16 N5 O3 Re -","- C40 H32 N10 O6 Re2 -","2","1","","Celedonio M. Alvarez; Luis A. Garcia-Escudero; Raul Garcia-Rodriguez; Daniel Miguel","Beyond click chemistry^ spontaneous C-triazolyl transfer from copper to rhenium and transformation into mesoionic C-triazolylidene carbene","Chem.Commun.","2012","48","","7209","","10.1039/c2cc32725b","","","1.54184","CuKα","","0.0439","0.0393","","","0.0931","0.0984","","","","","","1.083","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107974","33.042","0.0007","13.001","0.0002","27.731","0.0007","90","","113.57","0.003","90","","10918.8","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 B Cl2 F4 N5 O3 Re -","- C22 H21 B Cl2 F4 N5 O3 Re -","- C352 H336 B16 Cl32 F64 N80 O48 Re16 -","16","2","","Celedonio M. Alvarez; Luis A. Garcia-Escudero; Raul Garcia-Rodriguez; Daniel Miguel","Beyond click chemistry^ spontaneous C-triazolyl transfer from copper to rhenium and transformation into mesoionic C-triazolylidene carbene","Chem.Commun.","2012","48","","7209","","10.1039/c2cc32725b","","","1.54184","CuKα","","0.067","0.0456","","","0.1157","0.131","","","","","","1.046","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107975","8.1738","0.0003","10.1328","0.0004","16.4692","0.0006","98.523","0.003","92.493","0.003","103.426","0.003","1307.8","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Methoxy-1,1,3,3,3-pentaphenyldisiloxane","","- C31 H28 O2 Si2 -","- C31 H28 O2 Si2 -","- C62 H56 O4 Si4 -","2","1","","Bauer, Jonathan O.; Strohmann, Carsten","One-step conversion of methoxysilanes to aminosilanes: a convenient synthetic strategy to N,O-functionalised organosilanes","Chemical Communications","2012","48","57","7212","7214","10.1039/c2cc32727a","","","0.71073","MoKα","","0.068","0.0436","","","0.0958","0.0999","","","","","","1.001","","","","has coordinates","201205","2020-10-21","18:00:00",""
"7107976","10.132","0.002","20.141","0.004","21.01","0.004","90","","99.384","0.005","90","","4230.1","1.4","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Tetra peptide","Alpha gamma helix","","- C40 H62 N4 O8 -","- C40 H62 N4 O8 -","- C160 H248 N16 O32 -","4","2","","Anupam Bandyopadhyay; Sandip Jadhav; Hosahudya Gopi","alpha/gamma^4^-hybrid peptide helices: synthesis, crystal conformations and analogy with the alpha-helix","Chem.Commun.","2012","48","","7170","","10.1039/c2cc32911e","","x-ray","0.71073","MoKα","","0.1495","0.0592","","","0.1383","0.1832","","","","","","0.952","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107977","14.85","0.006","18.173","0.007","24.075","0.009","90","","107.254","0.007","90","","6205","4","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","hexaM","ALPHA-GAMMA mixed peptide","","- C54 H76 N6 O9.5 -","- C54 H76 N6 O9.5 -","- C216 H304 N24 O38 -","4","2","","Anupam Bandyopadhyay; Sandip Jadhav; Hosahudya Gopi","alpha/gamma^4^-hybrid peptide helices: synthesis, crystal conformations and analogy with the alpha-helix","Chem.Commun.","2012","48","","7170","","10.1039/c2cc32911e","","x-ray","0.71073","MoKα","","0.1256","0.0579","","","0.1406","0.1724","","","","","","0.784","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107978","18.113","0.014","24.5","0.02","27.36","0.02","90","","90","","90","","12142","16","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","HexaD","Alpha-Gamma mixed peptide","","- C54 H78 N6 O9.5 -","- C54 H78 N6 O9.5 -","- C432 H624 N48 O76 -","8","2","","Anupam Bandyopadhyay; Sandip Jadhav; Hosahudya Gopi","alpha/gamma^4^-hybrid peptide helices: synthesis, crystal conformations and analogy with the alpha-helix","Chem.Commun.","2012","48","","7170","","10.1039/c2cc32911e","","x-ray","0.71073","MoKα","","0.2236","0.0826","","","0.1896","0.2378","","","","","","0.794","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107979","8.9248","0.0004","9.168","0.0004","10.9493","0.0005","102.092","0.002","92.571","0.002","114.391","0.002","789.11","0.06","100","","100","2","","","","","","","","5","P -1","-P 1","2","Ni(N(SiMe3)(DIPP))2","","","- C30 H52 N2 Ni Si2 -","- C30 H52 N2 Ni Si2 -","- C30 H52 N2 Ni Si2 -","1","0.5","","Michael Lipschutz; T.Don Tilley","Synthesis and reactivity of a conveniently prepared two-coordinate bis(amido) nickel(II) complex","Chem.Commun.","2012","48","","7146","","10.1039/c2cc32974c","","","0.71073","MoKα","","0.026","0.0241","","","0.0645","0.0658","","","","","","1.061","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107980","10.5555","0.0004","12.6703","0.0005","16.2859","0.0006","84.922","0.002","74.854","0.002","69.522","0.002","1969.57","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ni(N(SiMe3)(DIPP))2(DMAP)","","","- C37 H62 N4 Ni Si2 -","- C37 H62 N4 Ni Si2 -","- C74 H124 N8 Ni2 Si4 -","2","1","","Michael Lipschutz; T.Don Tilley","Synthesis and reactivity of a conveniently prepared two-coordinate bis(amido) nickel(II) complex","Chem.Commun.","2012","48","","7146","","10.1039/c2cc32974c","","","0.71073","MoKα","","0.0423","0.0333","","","0.0788","0.0839","","","","","","1.046","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107981","9.6047","0.0003","11.1888","0.0004","17.6838","0.0005","97.463","0.001","97.333","0.002","110.211","0.002","1737.61","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ni(N(SiMe3)(DIPP))2(MeCN)","","","- C32 H55 N3 Ni Si2 -","- C32 H55 N3 Ni Si2 -","- C64 H110 N6 Ni2 Si4 -","2","1","","Michael Lipschutz; T.Don Tilley","Synthesis and reactivity of a conveniently prepared two-coordinate bis(amido) nickel(II) complex","Chem.Commun.","2012","48","","7146","","10.1039/c2cc32974c","","","0.71073","MoKα","","0.0337","0.028","","","0.0666","0.0694","","","","","","1.034","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107982","16.3178","0.0004","20.8353","0.0005","13.7272","0.0003","90","","90","","90","","4667.06","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Ni-isonitrile-insertion","","","- C48 H70 N4 Ni Si2 -","- C48 H70 N4 Ni Si2 -","- C192 H280 N16 Ni4 Si8 -","4","1","","Michael Lipschutz; T.Don Tilley","Synthesis and reactivity of a conveniently prepared two-coordinate bis(amido) nickel(II) complex","Chem.Commun.","2012","48","","7146","","10.1039/c2cc32974c","","","0.71073","MoKα","","0.0305","0.0268","","","0.0636","0.0658","","","","","","1.031","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107983","16.2978","0.0009","9.4465","0.0005","13.756","0.0008","90","","100.003","0.002","90","","2085.6","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","diazo-bis-DIPP","","","- C24 H34 N2 -","- C24 H34 N2 -","- C96 H136 N8 -","4","0.5","","Michael Lipschutz; T.Don Tilley","Synthesis and reactivity of a conveniently prepared two-coordinate bis(amido) nickel(II) complex","Chem.Commun.","2012","48","","7146","","10.1039/c2cc32974c","","","0.71073","MoKα","","0.0553","0.0392","","","0.0901","0.0991","","","","","","1.026","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107984","6.0186","0.001","11.5512","0.0018","24.941","0.004","90","","90","","90","","1733.9","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O2 S Si -","- C17 H23 N O2 S Si -","- C68 H92 N4 O8 S4 Si4 -","4","1","","Chungsik Kim; Tatsuya Uchida; Tsutomu Katsuki","Asymmetric olefin aziridination using a newly designed Ru(CO)(salen) complex as the catalyst","Chem.Commun.","2012","48","","7188","","10.1039/c2cc32997b","","","0.71073","MoKα","","0.0321","0.0281","","","0.0682","0.0698","","","","","","1.041","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107985","10.8858","0.0017","5.9432","0.0009","12.636","0.002","90","","98.35","0.002","90","","808.8","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H23 N O2 S Si -","- C14 H23 N O2 S Si -","- C28 H46 N2 O4 S2 Si2 -","2","1","","Chungsik Kim; Tatsuya Uchida; Tsutomu Katsuki","Asymmetric olefin aziridination using a newly designed Ru(CO)(salen) complex as the catalyst","Chem.Commun.","2012","48","","7188","","10.1039/c2cc32997b","","","0.71073","MoKα","","0.0325","0.0283","","","0.0719","0.0735","","","","","","1.048","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107986","9.0128","0.0018","9.1833","0.0018","10.1798","0.0019","90","","110.846","0.004","90","","787.4","0.3","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Ramesh B. Dateer; Kamalkishore Pati; Rai-Shung Liu","Gold-catalyzed synthesis of substituted 2-aminofurans via formal [4+1]-cycloadditions on 3-en-1-ynamides","Chem.Commun.","2012","48","","7200","","10.1039/c2cc33030j","","","0.71073","MoKα","","0.0318","0.0274","","","0.0615","0.0634","","","","","","1.03","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107987","30.163","0.004","30.163","0.004","15.484","0.0019","90","","90","","90","","14087","3","100","2","100","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C156 H60 Co15 N12 O56 -","- C156 H60 Co15 N12 O56 -","- C312 H120 Co30 N24 O112 -","2","0.125","","Xi-Sen Wang; Matthew Chrzanowski; Chungsik Kim; Wen-Yang Gao; Lukasz Wojtas; Yu-Sheng Chen; X. Peter Zhang; Shengqian Ma","Quest for highly porous metal-metalloporphyrin framework based upon a custom-designed octatopic porphyrin ligand","Chem.Commun.","2012","48","","7173","","10.1039/c2cc33118g","","","0.40663","synchrotron","","0.1116","0.0883","","","0.2566","0.2791","","","","","","1.097","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107988","5.8585","0.001","11.5282","0.0019","30.948","0.005","90","","90","","90","","2090.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","","Xiu-Qin Dong; Xin Fang; Hai-Yan Tao; Chun-Jiang Wang; Xiang Zhou","Organocatalytic asymmetric domino sulfa-Michael-aldol reactions of 2-mercaptobenzaldehyde with alpha,beta-unsaturated N-acylpyrazoles for the construction of thiochromane","Chem.Commun.","2012","48","","7238","","10.1039/c2cc31891a","","","0.71073","MoKα","","0.0515","0.0393","","","0.0853","0.091","","","","","","1.048","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107989","24.3984","0.0007","24.3984","0.0007","24.3984","0.0007","90","","90","","90","","14523.9","0.7","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","H2Na4(Cu12(OH)6(pz)6(BTC)6)23H2O","","","- C72 H90 Cu12 N12 Na4 O65 -","- C72 H42 Cu12 N12 Na4.02 O55.9 -","- C288 H168 Cu48 N48 Na16.08 O223.6 -","4","0.166667","","Huan Zhang; Ying Lu; Zhi-Ming Zhang; Hai Fu; Yangguang Li; Dmytro Denysenko; Dirk Volkmer; Enbo Wang","A 12-connected metal-organic framework constructed from an unprecedented cyclic dodecanuclear copper cluster","Chem.Commun.","2012","48","","7295","","10.1039/c2cc32120c","","","0.71073","MoKα","","0.0687","0.0533","","","0.1399","0.146","","","","","","1.075","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107990","9.8692","0.0005","12.9844","0.0006","15.2994","0.0006","80.608","0.004","72.49","0.004","69.895","0.004","1751.86","0.15","123","1","123","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C30 H33 As O10 P2 W2 -","- C30 H33 As O10 P2 W2 -","- C60 H66 As2 O20 P4 W4 -","2","1","","Markus Stubenhofer; Giuliano Lassandro; Gabor Balazs; Alexey Y. Timoshkin; Manfred Scheer","Stepwise activation of 'non-innocent' Cp* substituents ‒ a Cp* based cascade reaction","Chem.Commun.","2012","48","58","7262","7264","10.1039/c2cc32690f","","x-ray","1.54178","CuKα","","0.0269","0.0243","","","0.0611","0.0631","","","","","","1.051","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107991","9.4184","0.0005","10.4395","0.0005","15.6135","0.0008","71.461","0.005","89.764","0.004","64.716","0.005","1300.46","0.14","123","1","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C20 H17 O10 P3 W2 -","- C20 H17 O10 P3 W2 -","- C40 H34 O20 P6 W4 -","2","1","","Markus Stubenhofer; Giuliano Lassandro; Gabor Balazs; Alexey Y. Timoshkin; Manfred Scheer","Stepwise activation of 'non-innocent' Cp* substituents ‒ a Cp* based cascade reaction","Chem.Commun.","2012","48","58","7262","7264","10.1039/c2cc32690f","","x-ray","1.54178","CuKα","","0.0556","0.0457","","","0.1179","0.1263","","","","","","1.051","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107992","12.1083","0.0008","8.4579","0.0004","13.1468","0.0009","90","","90.114","0.005","90","","1346.37","0.14","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 N2 S3 -","- C15 H8 N2 S3 -","- C60 H32 N8 S12 -","4","1","","Catherine Dostert; Claudia Wanstrath; Walter Frank; Thomas J. J. Muller","4H-Dithieno[2,3-b:3',2'-e][1,4]thiazines ‒ synthesis and electronic properties of a novel class of electron rich redox systems","Chem.Commun.","2012","48","","7271","","10.1039/c2cc32731g","","","0.71073","MoKα","","0.0392","0.0365","","","0.1027","0.105","","","","","","0.993","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107993","9.3964","0.001","11.12","0.0012","14.1931","0.0016","80.855","0.002","76.993","0.002","80.832","0.002","1414.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 Br N O2 -","- C35 H30 Br N O2 -","- C70 H60 Br2 N2 O4 -","2","1","","Ting-Shun Zhu; Ming-Hua Xu","Efficient synthesis of optically active alpha-quaternary amino acids by highly diastereoselective [2,3]-rearrangement of allylic ammonium ylides","Chem.Commun.","2012","48","","7274","","10.1039/c2cc33027j","","","0.71073","MoKα","","0.0781","0.0524","","","0.1223","0.1302","","","","","","0.901","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107995","8.773","0.0001","23.8938","0.0004","30.215","0.0005","90","","90","","90","","6333.68","0.17","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H55 O P Si -","- C35 H55 O P Si -","- C280 H440 O8 P8 Si8 -","8","1","","Christopher B. Lavery; Robert McDonald; Mark Stradiotto","Efficient palladium-catalyzed synthesis of substituted indoles employing a new (silanyloxyphenyl)phosphine ligand","Chem.Commun.","2012","48","","7277","","10.1039/c2cc33071g","","","1.54178","CuKα","","0.0414","0.0371","","","0.1012","0.1057","","","","","","1.035","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107996","37.899","0.009","7.743","0.002","25.029","0.007","90","","122.015","0.011","90","","6228","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 B F2 N2 O3 S3 -","- C31 H29 B F2 N2 O3 S3 -","- C248 H232 B8 F16 N16 O24 S24 -","8","1","","Atul P. Singh; Kang Mun Lee; Dhiraj P. Murale; Taehong Jun; Hyunjeong Liew; Yoo-Hun Suh; David G. Churchill","Novel sulphur-rich BODIPY systems that enable stepwise fluorescent O-atom turn-on and H2O2 neuronal system probing","Chem.Commun.","2012","48","","7298","","10.1039/c2cc33076h","","","0.71073","MoKα","","0.2123","0.0888","","","0.2208","0.2866","","","","","","1.034","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107997","6.35","0.003","13.032","0.007","14.253","0.007","90","","94.75","0.02","90","","1175.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 B F2 N2 -","- C12 H13 B F2 N2 -","- C48 H52 B4 F8 N8 -","4","1","","Atul P. Singh; Kang Mun Lee; Dhiraj P. Murale; Taehong Jun; Hyunjeong Liew; Yoo-Hun Suh; David G. Churchill","Novel sulphur-rich BODIPY systems that enable stepwise fluorescent O-atom turn-on and H2O2 neuronal system probing","Chem.Commun.","2012","48","","7298","","10.1039/c2cc33076h","","","0.71073","MoKα","","0.2216","0.0992","","","0.2003","0.2524","","","","","","1.031","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107998","38.241","0.009","7.6428","0.0018","25.192","0.007","90","","121.4","0.02","90","","6285","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 B F2 N2 O4 S3 -","- C31 H29 B F2 N2 O4 S3 -","- C248 H232 B8 F16 N16 O32 S24 -","8","1","","Atul P. Singh; Kang Mun Lee; Dhiraj P. Murale; Taehong Jun; Hyunjeong Liew; Yoo-Hun Suh; David G. Churchill","Novel sulphur-rich BODIPY systems that enable stepwise fluorescent O-atom turn-on and H2O2 neuronal system probing","Chem.Commun.","2012","48","","7298","","10.1039/c2cc33076h","","","0.71073","MoKα","","0.0709","0.0508","","","0.1466","0.177","","","","","","1.005","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107999","14.9668","0.0004","11.3514","0.0003","12.9152","0.0004","90","","99.366","0.003","90","","2164.97","0.11","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Au N O2 -","- C25 H30 Au N O2 -","- C100 H120 Au4 N4 O8 -","4","1","","Dragos-Adrian Rosca; Dan A. Smith; Manfred Bochmann","Cyclometallated gold(III) hydroxides as versatile synthons for Au-N, Au-C complexes and luminescent compounds","Chem.Commun.","2012","48","","7247","","10.1039/c2cc33104g","","","0.71073","MoKα","","0.0277","0.0236","","","0.0547","0.0569","","","","","","1.16","","","","has coordinates","188927","2020-10-21","18:00:00",""
"7108000","8.9031","0.0005","11.5796","0.0007","13.1403","0.0008","93.817","0.004","99.079","0.004","92.33","0.004","1332.95","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H39 B2 Cl4 O P -","- C22 H39 B2 Cl4 O P -","- C44 H78 B4 Cl8 O2 P2 -","2","1","","Michael Sgro; Johannes Doemer; Douglas Stephan","Stoichiometric CO2 reductions using a bis-borane-based frustrated Lewis pair","Chem.Commun.","2012","48","","7253","","10.1039/c2cc33301e","","","0.71073","MoKα","","0.0797","0.0447","","","0.0826","0.0945","","","","","","1.012","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108001","11.3108","0.0005","14.2805","0.0005","14.9742","0.0007","90","","90","","90","","2418.69","0.18","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 B2 Cl4 O2 P -","- C19 H31 B2 Cl4 O2 P -","- C76 H124 B8 Cl16 O8 P4 -","4","1","","Michael Sgro; Johannes Doemer; Douglas Stephan","Stoichiometric CO2 reductions using a bis-borane-based frustrated Lewis pair","Chem.Commun.","2012","48","","7253","","10.1039/c2cc33301e","","","0.71073","MoKα","","0.0934","0.0557","","","0.1079","0.1223","","","","","","0.99","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108003","14.7898","0.0017","33.377","0.003","10.1506","0.0012","90","","123.924","0.017","90","","4157.8","1.1","293","2","293","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 N4 O10 -","- C36 H50 N4 O10 -","- C144 H200 N16 O40 -","4","0.5","","Janja Makarevic; Zoran Stefanic; Lucija Horvat; Mladen Zinic","Intermolecular central to axial chirality transfer in the self-assembled biphenyl containing amino acid-oxalamide gelators","Chem.Commun.","2012","48","","7407","","10.1039/c2cc32039h","","x-ray","1.54184","CuKα","","0.0929","0.0563","","","0.1383","0.1584","","","","","","0.979","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108004","12.414","0.003","14.003","0.003","15.544","0.003","98.07","0.03","105.42","0.03","98.98","0.03","2525.5","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H104 B2 Br4 Fe2 Mn2 N22 O4 -","- C92 H90 B2 Br4 Fe2 Mn2 N22 O4 -","- C92 H90 B2 Br4 Fe2 Mn2 N22 O4 -","1","0.5","","Kyung Jin Cho; Dae Won Ryu; Hyun Young Kwak; Jin Wuk Lee; Woo Ram Lee; Kwang Soo Lim; Eui Kwan Koh; Young Wan Kwon; Chang Seop Hong","Designed cyanide- and phenoxide-bridged FeIIIMnIII single-molecule magnet constructed by highly blocked paramagnetic precursors","Chem.Commun.","2012","48","","7404","","10.1039/c2cc32503a","","","0.85","synchrotron","","0.1065","0.0777","","","0.2075","0.2315","","","","","","1.01","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108005","9.62","0.003","19.62","0.006","12.933","0.004","90","","103.71","0.004","90","","2371.5","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N4 O6 Re2 -","- C26 H16 N4 O6 Re2 -","- C104 H64 N16 O24 Re8 -","4","0.5","","Eric Benson; Clifford Kubiak","Structural investigations into the deactivation pathway of the CO2 reduction electrocatalyst Re(bpy)(CO)3Cl","Chem.Commun.","2012","48","","7374","","10.1039/c2cc32617e","","","0.71073","MoKα","","0.0755","0.0489","","","0.1094","0.1197","","","","","","1.006","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108006","8.9201","0.0008","12.4212","0.0012","38.087","0.004","90","","95.741","0.001","90","","4198.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 K N4 O13 Re2 -","- C38 H40 K N4 O12 Re2 -","- C152 H160 K4 N16 O48 Re8 -","4","1","","Eric Benson; Clifford Kubiak","Structural investigations into the deactivation pathway of the CO2 reduction electrocatalyst Re(bpy)(CO)3Cl","Chem.Commun.","2012","48","","7374","","10.1039/c2cc32617e","","","0.71073","MoKα","","0.0612","0.0512","","","0.105","0.1083","","","","","","1.165","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108007","8.8574","0.0005","11.5882","0.0007","32.45","0.0018","90","","95.504","0.003","90","","3315.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 K N4 O8 Re2 -","- C34 H32 K N4 O8 Re2 -","- C136 H128 K4 N16 O32 Re8 -","4","1","","Eric Benson; Clifford Kubiak","Structural investigations into the deactivation pathway of the CO2 reduction electrocatalyst Re(bpy)(CO)3Cl","Chem.Commun.","2012","48","","7374","","10.1039/c2cc32617e","","","0.71073","MoKα","","0.0247","0.0207","","","0.0429","0.0508","","","","","","1.14","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108008","23.3023","0.0013","18.0705","0.0009","16.0034","0.0008","90","","73.24","0.003","90","","6452.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 K N2 O10 Re -","- C29 H40 K N2 O10 Re -","- C232 H320 K8 N16 O80 Re8 -","8","2","","Eric Benson; Clifford Kubiak","Structural investigations into the deactivation pathway of the CO2 reduction electrocatalyst Re(bpy)(CO)3Cl","Chem.Commun.","2012","48","","7374","","10.1039/c2cc32617e","","","0.71073","MoKα","","0.0537","0.0331","","","0.0578","0.0636","","","","","","1.079","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108009","11.17","0.002","18.307","0.004","19.714","0.004","64","0.03","80.1","0.03","86.56","0.03","3568.8","1.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","1-Ethynyl-2,2,4,4,5,5-hexakis(2,4,6-trimethylpheny)-3-methyl- 2,4,5-trisila-1,3-distannabicyclo(1.1.1)pentane","1-Ethynyl-2,2,4,4,5,5-hexakis(2,4,6-trimethylpheny)- 3-methyl-2,4,5-trisila-1,3-distannabicyclo[1.1.1]pentane","","- C67.5 H82 Si3 Sn2 -","- C67.5 H82 Si3 Sn2 -","- C135 H164 Si6 Sn4 -","2","1","","Saurabh S. Chitnis; Elizabeth MacDonald; Neil Burford; Ulrike Werner-Zwanziger; Robert McDonald","P-P Menschutkin preparation of prototypical phosphinophosphonium salts","Chem.Commun.","2012","48","","7359","","10.1039/c2cc33082b","","","0.71073","MoKα","","0.0671","0.0488","","","0.1381","0.1466","","","","","","0.986","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108010","11.384","0.002","26.502","0.005","19.445","0.004","90","","91.7","0.03","90","","5864","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(prop-1-yn)-2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)-3- methyl-2,4,5-trisila-1,3-distannabicyclo(1.1.1)pentane","1-(prop-1-yn)-2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3-distannabicyclo[1.1.1]pentane","","- C65 H80 Si3 Sn2 -","- C65 H80 Si3 Sn2 -","- C260 H320 Si12 Sn8 -","4","1","","Saurabh S. Chitnis; Elizabeth MacDonald; Neil Burford; Ulrike Werner-Zwanziger; Robert McDonald","P-P Menschutkin preparation of prototypical phosphinophosphonium salts","Chem.Commun.","2012","48","","7359","","10.1039/c2cc33082b","","","0.71073","MoKα","","0.0562","0.0436","","","0.1037","0.1114","","","","","","1.058","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108011","13.943","0.003","15.95","0.003","17.865","0.004","113.74","0.03","108.71","0.03","96.95","0.03","3298.2","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","1,2-bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)-3-methyl- 2,4,5-trisila-1,3-distannabicylo(1.1.1)pentan)ethyne","1,2-bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3- distannabicylo[1.1.1]pentan)ethyne","","- C140 H171 N2 Si6 Sn4 -","- C140 H171 N2 Si6 Sn4 -","- C140 H171 N2 Si6 Sn4 -","1","0.5","","Saurabh S. Chitnis; Elizabeth MacDonald; Neil Burford; Ulrike Werner-Zwanziger; Robert McDonald","P-P Menschutkin preparation of prototypical phosphinophosphonium salts","Chem.Commun.","2012","48","","7359","","10.1039/c2cc33082b","","","0.71073","MoKα","","0.0819","0.0596","","","0.1559","0.1812","","","","","","1.053","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108012","9.4581","0.0006","6.5601","0.0004","7.306","0.0005","90","","90","","90","","453.31","0.05","173","2","173","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C5 H15 Cl P2 -","- C5 H15 Cl P2 -","- C10 H30 Cl2 P4 -","2","0.5","","Saurabh S. Chitnis; Elizabeth MacDonald; Neil Burford; Ulrike Werner-Zwanziger; Robert McDonald","P-P Menschutkin preparation of prototypical phosphinophosphonium salts","Chem.Commun.","2012","48","","7359","","10.1039/c2cc33082b","","","0.71073","MoKα","","0.0183","0.0177","","","0.0461","0.0465","","","","","","1.11","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108013","14.302","0.003","14.733","0.003","23.048","0.005","103.534","0.014","98.096","0.008","105.51","0.016","4441.1","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H77 O16 Zn4 -","- C102 H78 O16 Zn4 -","- C204 H156 O32 Zn8 -","2","1","","Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Zbigniew Wrobel; Janusz Lewinski","Oxozinc carboxylates: a predesigned platform for modelling prototypical Zn-MOFs' reactivity toward water and donor solvents","Chem.Commun.","2012","48","","7362","","10.1039/c2cc33094f","","","0.71073","MoKα","","0.1081","0.0678","","","0.1631","0.1856","","","","","","1.042","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108014","23.1389","0.0009","11.6701","0.0005","24.0951","0.0005","90","","117.427","0.002","90","","5775.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H56 O17 Zn4 -","- C54 H56 O17 Zn4 -","- C216 H224 O68 Zn16 -","4","1","","Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Zbigniew Wrobel; Janusz Lewinski","Oxozinc carboxylates: a predesigned platform for modelling prototypical Zn-MOFs' reactivity toward water and donor solvents","Chem.Commun.","2012","48","","7362","","10.1039/c2cc33094f","","","0.71073","MoKα","","0.0814","0.0541","","","0.1051","0.1161","","","","","","1.034","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108015","14.21306","0.00003","14.21306","","27.2081","0.0001","90","","90","","120","","4759.97","0.02","298","","298","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C9 Al3 Na1.726 O19.675 Si3 -","- C9 Al3 Na1.7225 O19.675 Si3 -","- C72 Al24 Na13.78 O157.4 Si24 -","8","0.333333","","Bellussi, Giuseppe; Millini, Roberto; Montanari, Erica; Carati, Angela; Rizzo, Caterina.; Parker, jr, Wallace O'Neil; Cruciani, Giuseppe; de Angelis, Alberto; Bonoldi, Lucia; Zanardi, Stefano","A highly crystalline microporous hybrid organic-inorganic aluminosilicate resembling the AFI-type zeolite","Chem.Commun.","2012","48","","7356","","10.1039/c2cc33417h","powder diffraction","x-ray","0.4959","synchrotron","","","","","","","","0.14085","","3","","","","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108016","21.9332","0.0002","21.9332","0.0002","21.9332","0.0002","90","","90","","90","","10551.3","0.17","296","2","296","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H46.88 Cd2 N6 Na O25.94 S6 -","- C36 H42 Cd2 N6 Na O25.95 S6 -","- C288 H336 Cd16 N48 Na8 O207.6 S48 -","8","0.166667","","Chun-Sen Liu; Xiao-Gang Yang; Min Hu; Miao Du; Shao-Ming Fang","A structural paradigm for 3-periodic semiregular (46.69)-hxg net with high-symmetry hexagonal geometry, constructed from the linear [Cd2NaO6(H2O)6] SBUs and a flexible 6,6'-dithiodinicotinate linker","Chem.Commun.","2012","48","","7459","","10.1039/c2cc31905e","","","0.71073","MoKα","","0.0539","0.0394","","","0.1206","0.1251","","","","","","1.01","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108017","17.2237","0.0016","28.777","0.002","22.1354","0.0019","90","","90","","90","","10971.3","1.6","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C120 H108 B4 F12 O8 S4 -","- C121 H60 B4 F12 O8 S4 -","- C484 H240 B16 F48 O32 S16 -","4","0.5","","Nobuharu Iwasawa; Hiroki Takahagi; Kosuke Ono; Kotaro Fujii; Hidehiro Uekusa","Guest-induced self-assembly of a macrocyclic boronic ester containing diarylethene units: enhancement of photoresponsivity","Chem.Commun.","2012","48","","7477","","10.1039/c2cc31989f","","x-ray","0.71075","MoKα","","0.2206","0.1806","","","0.4902","0.5125","","","","","","1.808","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108018","15.32","0.0016","36.839","0.004","17.429","0.0018","90","","102.972","0.003","90","","9585.4","1.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H85 B4 F12 O8 S4 -","- C99 H85 B4 F12 O8 S4 -","- C396 H340 B16 F48 O32 S16 -","4","1","","Nobuharu Iwasawa; Hiroki Takahagi; Kosuke Ono; Kotaro Fujii; Hidehiro Uekusa","Guest-induced self-assembly of a macrocyclic boronic ester containing diarylethene units: enhancement of photoresponsivity","Chem.Commun.","2012","48","","7477","","10.1039/c2cc31989f","","x-ray","0.71073","MoKα","","0.2835","0.2113","","","0.4961","0.527","","","","","","1.615","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108019","21.546","0.002","30.412","0.003","36.028","0.004","90","","99.774","0.002","90","","23265","4","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C186 H272.5 Cl2 Dy2 N15.5 Na2 Ni12 O49 S12 -","- C183 H208 Cl2 Dy2 N14 Na2 Ni12 O49 S12 -","- C732 H832 Cl8 Dy8 N56 Na8 Ni48 O196 S48 -","4","1","","Kecai Xiong; Xinyi Wang; Feilong Jiang; Yanli Gai; Wentao Xu; Kongzhao Su; Xingjun Li; Daqiang Yuan; Maochun Hong","Heterometallic thiacalix[4]arene-supported Na2NiII12LnIII2 clusters with vertex-fused tricubane cores (Ln = Dy and Tb)","Chem.Commun.","2012","48","","7456","","10.1039/c2cc32360e","","","0.71073","MoKα","","0.0852","0.0814","","","0.2348","0.2379","","","","","","1.076","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108020","21.608","0.005","30.507","0.007","36.11","0.009","90","","99.87","0.005","90","","23451","10","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C186 H272.5 Cl2 N15.5 Na2 Ni12 O49 S12 Tb2 -","- C183 H226 Cl2 N14 Na2 Ni12 O49 S12 Tb2 -","- C732 H904 Cl8 N56 Na8 Ni48 O196 S48 Tb8 -","4","1","","Kecai Xiong; Xinyi Wang; Feilong Jiang; Yanli Gai; Wentao Xu; Kongzhao Su; Xingjun Li; Daqiang Yuan; Maochun Hong","Heterometallic thiacalix[4]arene-supported Na2NiII12LnIII2 clusters with vertex-fused tricubane cores (Ln = Dy and Tb)","Chem.Commun.","2012","48","","7456","","10.1039/c2cc32360e","","","0.71073","MoKα","","0.1061","0.0938","","","0.2446","0.2568","","","","","","1.077","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108021","13.118","0.003","9.4837","0.0019","34.086","0.007","90","","91.08","0.004","90","","4239.8","1.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N4 O2 -","- C48 H40 N4 O2 -","- C192 H160 N16 O8 -","4","1","","Guangxi Huang; Guanxin Zhang; Deqing Zhang","Turn-on of the fluorescence of tetra(4-pyridylphenyl)ethylene by the synergistic interactions of mercury(II) cation and hydrogen sulfate anion","Chem.Commun.","2012","48","","7504","","10.1039/c2cc32504g","","","0.71073","MoKα","","0.0919","0.0777","","","0.1719","0.1811","","","","","","1.141","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108022","39.6914","0.0012","39.6914","0.0012","39.6914","0.0012","90","","90","","90","","62530","3","296","2","296","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C54 H36 Mn10 N24 O33 -","- C54 H36 Mn10 N24 O33 -","- C864 H576 Mn160 N384 O528 -","16","0.166667","","Le Wang; Jason Morales; Tao Wu; Xiang Zhao; Ward P. Beyermann; Xianhui Bu; Pingyun Feng","Assembly of super-supertetrahedral metal-organic clusters into a hierarchical porous cubic framework","Chem.Commun.","2012","48","","7498","","10.1039/c2cc32907g","","","0.71073","MoKα","","0.0617","0.0499","","","0.1063","0.1096","","","","","","1.158","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108023","13.867","0.003","18.673","0.004","18.691","0.004","74.412","0.004","77.467","0.004","69.753","0.004","4332.4","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","H1a","","","- C83 H80 N24 Ni O18 S -","- C83 H80 N24 Ni O18 S -","- C166 H160 N48 Ni2 O36 S2 -","2","1","","Radu Custelcean; Peter V. Bonnesen; Benjamin D. Roach; Nathan C. Duncan","Ion-pair triple helicates and mesocates self-assembled from ditopic 2,2'-bipyridine-bis(urea) ligands and Ni(II) or Fe(II) sulfate salts","Chem.Commun.","2012","48","","7438","","10.1039/c2cc33062h","","","0.71073","MoKα","","0.1407","0.0901","","","0.2471","0.2797","","","","","","1.005","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108024","13.7888","0.0011","19.135","0.0015","19.5872","0.0016","95.997","0.002","104.132","0.002","108.688","0.002","4652.6","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","H1b","","","- C87 H89 N23 Ni O21 S -","- C87 H89 N23 Ni O21 S -","- C174 H178 N46 Ni2 O42 S2 -","2","1","","Radu Custelcean; Peter V. Bonnesen; Benjamin D. Roach; Nathan C. Duncan","Ion-pair triple helicates and mesocates self-assembled from ditopic 2,2'-bipyridine-bis(urea) ligands and Ni(II) or Fe(II) sulfate salts","Chem.Commun.","2012","48","","7438","","10.1039/c2cc33062h","","","0.71073","MoKα","","0.0886","0.0667","","","0.1967","0.2147","","","","","","1.072","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108025","18.2186","0.0016","19.1483","0.0017","35.531","0.003","85.896","0.002","88.045","0.002","63.311","0.002","11046.1","1.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","H2A","","","- C183 H209 Fe2 N53 O46 S2 -","- C183 H203 Fe2 N53 O46 S2 -","- C366 H406 Fe4 N106 O92 S4 -","2","1","","Radu Custelcean; Peter V. Bonnesen; Benjamin D. Roach; Nathan C. Duncan","Ion-pair triple helicates and mesocates self-assembled from ditopic 2,2'-bipyridine-bis(urea) ligands and Ni(II) or Fe(II) sulfate salts","Chem.Commun.","2012","48","","7438","","10.1039/c2cc33062h","","","0.71073","MoKα","","0.1725","0.1014","","","0.2794","0.3139","","","","","","0.97","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108026","17.7602","0.0016","14.478","0.0013","40.446","0.004","90","","99.418","0.002","90","","10259.8","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","M1a","","","- C95 H107 N21 Ni O12 S -","- C95 H107 N21 Ni O12 S -","- C380 H428 N84 Ni4 O48 S4 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Benjamin D. Roach; Nathan C. Duncan","Ion-pair triple helicates and mesocates self-assembled from ditopic 2,2'-bipyridine-bis(urea) ligands and Ni(II) or Fe(II) sulfate salts","Chem.Commun.","2012","48","","7438","","10.1039/c2cc33062h","","","0.71073","MoKα","","0.1081","0.0706","","","0.1903","0.2104","","","","","","1.022","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108027","15.318","0.002","18.423","0.003","19.119","0.003","85.524","0.003","85.02","0.003","78.522","0.003","5257.4","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","M2a","","","- C87 H90 Fe N18 O10 S -","- C87 H90 Fe N18 O10 S -","- C174 H180 Fe2 N36 O20 S2 -","2","1","","Radu Custelcean; Peter V. Bonnesen; Benjamin D. Roach; Nathan C. Duncan","Ion-pair triple helicates and mesocates self-assembled from ditopic 2,2'-bipyridine-bis(urea) ligands and Ni(II) or Fe(II) sulfate salts","Chem.Commun.","2012","48","","7438","","10.1039/c2cc33062h","","","0.71073","MoKα","","0.1604","0.0929","","","0.2409","0.2709","","","","","","0.878","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108028","12.157","0.0015","12.3456","0.0015","15.2613","0.0019","84.741","0.002","77.71","0.002","72.545","0.002","2134","0.5","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H60 N2 P Sc Si -","- C45 H60 N2 P Sc Si -","- C90 H120 N4 P2 Sc2 Si2 -","2","1","","Zhongbao Jian; Weifeng Rong; Zehuai Mou; Yupeng Pan; Hongyan Xie; Dongmei Cui","Intramolecular C-H bond activation induced by a scandium terminal imido complex","Chem.Commun.","2012","48","","7516","","10.1039/c2cc33179a","","","0.71073","MoKα","","0.0938","0.0623","","","0.1678","0.1919","","","","","","1.09","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108029","9.9885","0.0005","17.1263","0.0009","17.6568","0.0009","79.885","0.001","82.14","0.001","79.157","0.001","2903.6","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 N6 P Sc -","- C55 H68 N6 P Sc -","- C110 H136 N12 P2 Sc2 -","2","1","","Zhongbao Jian; Weifeng Rong; Zehuai Mou; Yupeng Pan; Hongyan Xie; Dongmei Cui","Intramolecular C-H bond activation induced by a scandium terminal imido complex","Chem.Commun.","2012","48","","7516","","10.1039/c2cc33179a","","","0.71073","MoKα","","0.0877","0.0561","","","0.1479","0.1632","","","","","","1.01","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108030","18.066","0.002","27.709","0.004","38.45","0.005","90","","102.908","0.002","90","","18761","4","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C166 H174 Au11 F18 O5 P12 Sb3 -","- C166 H174 Au11 F18 O5 P12 Sb3 -","- C664 H696 Au44 F72 O20 P48 Sb12 -","4","0.5","","Yukatsu Shichibu; Yutaro Kamei; Katsuaki Konishi","Unique [core+two] structure and optical property of a dodeca-ligated undecagold cluster: critical contribution of the exo gold atoms to the electronic structure","Chem.Commun.","2012","48","","7559","","10.1039/c2cc30251a","","","0.71073","MoKa","","0.0996","0.0571","","","0.1491","0.1794","","","","","","1.152","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108031","23.9228","0.001","25.3459","0.001","38.9296","0.0016","90","","90","","90","","23604.8","1.7","100","2","100","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C34 H40 Al3 B5 Cl14 N4 O6 -","- C34 H40 Al3 B5 Cl14 N4 O6 -","- C544 H640 Al48 B80 Cl224 N64 O96 -","16","0.5","","Alessandro Del Grosso; Ewan Clark; Nicholas Montoute; Michael Ingleson","Tricationic analogues of boroxines and polyborate anions","Chem.Commun.","2012","48","","7589","","10.1039/c2cc32605a","","","0.71073","MoKα","","0.0913","0.047","","","0.1002","0.1077","","","","","","0.824","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108032","12.708","0.005","12.708","0.005","13.72","0.005","90","0.005","90","0.005","120","0.005","1918.8","1.3","100","2","100","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C5 H5 Al B Cl6 N -","- C5 H5 Al B Cl6 N -","- C30 H30 Al6 B6 Cl36 N6 -","6","1","","Alessandro Del Grosso; Ewan Clark; Nicholas Montoute; Michael Ingleson","Tricationic analogues of boroxines and polyborate anions","Chem.Commun.","2012","48","","7589","","10.1039/c2cc32605a","","","0.71073","MoKα","","0.0453","0.0327","","","0.0683","0.0718","","","","","","0.971","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108033","7.6227","0.0003","13.8546","0.0006","13.6784","0.0005","90","","95.281","0.003","90","","1438.44","0.1","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H5 Al B Br6 N -","- C5 H5 Al B Br6 N -","- C20 H20 Al4 B4 Br24 N4 -","4","2","","Alessandro Del Grosso; Ewan Clark; Nicholas Montoute; Michael Ingleson","Tricationic analogues of boroxines and polyborate anions","Chem.Commun.","2012","48","","7589","","10.1039/c2cc32605a","","","0.71073","MoKα","","0.0603","0.0474","","","0.1289","0.1405","","","","","","1.087","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108034","10.3692","0.0003","11.1756","0.0003","41.7001","0.0012","83.535","0.002","84.176","0.002","75.954","0.003","4644.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Al4 B3 Br10 N4 O3 -","- C20 H20 Al4 B3 Br15 N4 O3 -","- C80 H80 Al16 B12 Br60 N16 O12 -","4","2","","Alessandro Del Grosso; Ewan Clark; Nicholas Montoute; Michael Ingleson","Tricationic analogues of boroxines and polyborate anions","Chem.Commun.","2012","48","","7589","","10.1039/c2cc32605a","","","0.71073","MoKα","","0.0972","0.067","","","0.1371","0.1546","","","","","","1.105","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108035","8.959","0.005","9.523","0.005","20.814","0.011","90","","101.16","0.006","90","","1742.2","1.6","153","1","153","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Masahito Murai; Sachie Kitabata; Kazuhiro Okamoto; Kouichi Ohe","Gold-catalysed cycloisomerisation reactions of 2-(2-propynyl)pyridine N-oxides leading to indolizinones","Chem.Commun.","2012","48","","7622","","10.1039/c2cc32628k","","","0.7107","MoKα","","","0.059","","","","0.1026","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108036","14.693","0.002","47.081","0.008","14.939","0.002","90","","90.83","0.004","90","","10333","3","393","2","393","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H81 Cl14 Fe4 N16 O2 Zn -","- C99 H81 Cl13 Fe4 N16 O2 Zn -","- C396 H324 Cl52 Fe16 N64 O8 Zn4 -","4","1","","Samanta, Subhra; Sengupta, Kushal; Mittra, Kaustuv; Bandyopadhay, Sabyasachi; Dey, Abhishek","Selective four electron reduction of O2 by an iron porphyrin electrocatalyst under fast and slow electron fluxes","Chem.Commun.","2012","48","","7631","","10.1039/c2cc32832a","","","0.71073","MoKα","","0.1189","0.0987","","","0.2439","0.2606","","","","","","1.06","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108037","15.4881","0.0007","15.4881","0.0007","19.3282","0.0009","90","","90","","90","","4636.5","0.4","93","","93","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0546","0.0507","","","0.1476","0.1532","","","","","","1.06","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108038","15.5024","0.0007","15.5024","0.0007","19.3585","0.0009","90","","90","","90","","4652.3","0.4","123","","123","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0531","0.0483","","","0.1349","0.1401","","","","","","1.065","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108039","15.5252","0.0006","15.5252","0.0006","19.3983","0.0008","90","","90","","90","","4675.6","0.3","173","","173","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0493","0.0457","","","0.1297","0.1341","","","","","","1.075","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108040","15.4928","0.0007","15.4928","0.0007","19.4045","0.0018","90","","90","","90","","4657.6","0.5","223","","223","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0557","0.0495","","","0.1386","0.1439","","","","","","1.041","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108041","14.619","0.002","14.619","0.002","18.944","0.005","90","","90","","90","","4048.6","1.3","233","","233","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0839","0.0516","","","0.109","0.1251","","","","","","1.022","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108042","14.6608","0.0014","14.6608","0.0014","18.9712","0.0019","90","","90","","90","","4077.7","0.7","273","","273","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0575","0.0362","","","0.0897","0.1028","","","","","","1.06","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108043","14.6619","0.0012","14.6619","0.0012","18.9721","0.0016","90","","90","","90","","4078.5","0.6","293","","293","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0544","0.0372","","","0.0929","0.1057","","","","","","1.061","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108044","14.6824","0.0008","14.6824","0.0008","18.985","0.002","90","","90","","90","","4092.7","0.5","333","","333","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.0556","0.0382","","","0.0921","0.1053","","","","","","1.083","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108045","14.567","0.007","14.567","0.007","18.717","0.009","90","","90","","90","","3972","3","93","","93","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1379","0.0816","","","0.1858","0.2161","","","","","","1.037","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108046","15.488","0.007","15.488","0.007","19.36","0.01","90","","90","","90","","4644","4","93","","93","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1506","0.0771","","","0.1845","0.2304","","","","","","0.998","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108047","15.56","0.002","15.56","0.002","19.491","0.006","90","","90","","90","","4719","1.7","273","","273","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1844","0.0788","","","0.1703","0.2163","","","","","","0.957","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108048","15.54","0.0016","15.54","0.0016","19.493","0.004","90","","90","","90","","4707.4","1.2","293","","293","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1256","0.0675","","","0.1536","0.1819","","","","","","0.997","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108049","15.476","0.003","15.476","0.003","19.445","0.004","90","","90","","90","","4657.2","1.6","313","","313","","","","","","","","","5","I -4","I -4","82","","","","- C48 H116 N36 Ni4 O40 -","- C48 H108 N36 Ni4 O40 -","- C96 H216 N72 Ni8 O80 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1242","0.0756","","","0.1844","0.2129","","","","","","0.994","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108050","14.694","0.004","14.694","0.004","19.014","0.01","90","","90","","90","","4105","3","333","","333","","","","","","","","","5","I -4","I -4","82","","","","- C48 H108 N36 Ni4 O36 -","- C48 H108 N36 Ni4 O36 -","- C96 H216 N72 Ni8 O72 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1988","0.0628","","","0.0806","0.1108","","","","","","0.941","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108051","15.47","0.003","15.47","0.003","19.437","0.008","90","","90","","90","","4652","2","313","","313","","","","","","","","","5","I -4","I -4","82","","","","- C48 H116 N36 Ni4 O40 -","- C48 H108 N36 Ni4 O40 -","- C96 H216 N72 Ni8 O80 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1807","0.0789","","","0.1853","0.2342","","","","","","0.954","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108052","15.535","0.006","15.535","0.006","19.504","0.008","90","","90","","90","","4707","3","293","","293","","","","","","","","","5","I -4","I -4","82","","","","- C48 H130 N36 Ni4 O47 -","- C48 H108 N36 Ni4 O47 -","- C96 H216 N72 Ni8 O94 -","2","0.25","","Ryosuke Miyake; Mitsuhiko Shionoya","Reversible structural switch in the nano-cavity of crystalline metallo-macrocycles with smooth ligand exchange by non-coordinating guest stimuli","Chem.Commun.","2012","48","","7553","","10.1039/c2cc32857g","","","0.71073","MoKα","","0.1608","0.076","","","0.1633","0.2008","","","","","","0.957","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108053","14.3774","0.0008","14.5747","0.0008","16.3334","0.0008","97.317","0.001","91.554","0.001","106.389","0.001","3249.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 N24 O29 Pt4 -","- C40 H56 N24 O29 Pt4 -","- C80 H112 N48 O58 Pt8 -","2","1","","Xiao-Hui Zheng; Huo-Yan Chen; Ming-Liang Tong; Liang-Nian Ji; Zong-Wan Mao","Platinum squares with high selectivity and affinity for human telomeric G-quadruplexes","Chem.Commun.","2012","48","","7607","","10.1039/c2cc32942e","","","0.71073","MoKα","","0.1254","0.0707","","","0.2044","0.2465","","","","","","1.085","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108054","16.3498","0.0003","16.3498","0.0003","16.8924","0.0007","90","","90","","90","","4515.6","0.2","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C14 H28 Cd N6 O10 -","- C14 H16 Cd N6 O4 -","- C112 H128 Cd8 N48 O32 -","8","1","","Tsolmon Borjigin; Fuxing Sun; Jinlei Zhang; Kun Cai; Hao Ren; Guangshan Zhu","A microporous metal-organic framework with high stability for GC separation of alcohols from water","Chem.Commun.","2012","48","","7613","","10.1039/c2cc33023g","","","0.71073","MoKα","","0.0405","0.0314","","","0.076","0.0786","","","","","","1.031","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108055","13.4875","0.0009","10.5732","0.0007","13.9427","0.0009","90","","103.886","0.002","90","","1930.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Feng Fan; Weiqing Xie; Dawei Ma","Cascade annulation of malonic diamides: a concise synthesis of polycyclic pyrroloindolines","Chem.Commun.","2012","48","","7571","","10.1039/c2cc33129b","","","0.71073","MoKα","","0.052","0.0411","","","0.1015","0.1095","","","","","","1.033","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108056","10.477","0.0006","11.2649","0.0007","27.4274","0.0016","90","","100.494","0.001","90","","3182.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 N3 O5 S -","- C36 H35 N3 O5 S -","- C144 H140 N12 O20 S4 -","4","1","","Feng Fan; Weiqing Xie; Dawei Ma","Cascade annulation of malonic diamides: a concise synthesis of polycyclic pyrroloindolines","Chem.Commun.","2012","48","","7571","","10.1039/c2cc33129b","","","0.71073","MoKα","","0.0702","0.0522","","","0.1267","0.1366","","","","","","1.032","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108057","18.5889","0.0008","20.1664","0.0009","21.314","0.001","117.641","0.003","93.431","0.003","103.009","0.003","6770.4","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C148 H130 Cl4 F10 N2 O4 P4 Pt2 -","- C146 H126 F10 N2 O4 P4 Pt2 -","- C292 H252 F20 N4 O8 P8 Pt4 -","2","1","","Nancy Weisbach; Zuzana Baranov; Sebastien Gauthier; Joseph H. Reibenspies; John A. Gladysz","A new type of insulated molecular wire: a rotaxane derived from a metal-capped conjugated tetrayne","Chem.Commun.","2012","48","","7562","","10.1039/c2cc33321j","","","1.54178","CuKα","","0.0449","0.0339","","","0.0844","0.088","","","","","","1.098","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108058","7.1655","0.0006","12.8935","0.001","16.603","0.0013","84.056","0.001","79.663","0.001","82.575","0.001","1491.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ZnTPPBr","","","- C38 H31 Br N4 Zn -","- C38 H31 Br N4 Zn -","- C76 H62 Br2 N8 Zn2 -","2","1","","Hongshan He; Ashim Gurung; Liping Si; Andrew Sykes","A simple acrylic acid functionalized zinc porphyrin for cost-effective dye-sensitized solar cells","Chem.Commun.","2012","48","","7619","","10.1039/c2cc33337f","","","0.71073","MoKα","","0.0461","0.0303","","","0.0702","0.0759","","","","","","1.044","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108059","7.9966","0.0004","6.5839","0.0002","9.9447","0.0004","90","","109.425","0.005","90","","493.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H11 Gd O8 -","- C5 H11 Gd O8 -","- C10 H22 Gd2 O16 -","2","0.5","","Giulia Lorusso; Maria Palacios; Gary Nichol; Euan Brechin; Olivier Roubeau; Marco Evangelisti","Increasing the dimensionality of cryogenic molecular coolers: Gd-based polymers and metal-organic frameworks","Chem.Commun.","2012","48","","7592","","10.1039/c2cc33485b","","","0.71073","MoKα","","0.0364","0.0302","","","0.0758","0.0819","","","","","","1.079","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108060","30.797","0.006","19.123","0.004","22.706","0.005","90","","102","0.03","90","","13080","5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C180 H340 Bi18 O125 S18 -","- C180 H282 Bi18 O125 S18 -","- C360 H564 Bi36 O250 S36 -","2","0.5","","Philip C. Andrews; Madleen Busse; Peter C. Junk; Craig M. Forsyth; Roshani Peiris","Sulfonato-encapsulated bismuth(III) oxido-clusters from Bi2O3 in water under mild conditions","Chem.Commun.","2012","48","","7583","","10.1039/c2cc33495j","","","0.7107","synchrotron","","0.0304","0.0302","","","0.0804","0.0805","","","","","","1.053","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108061","14.7996","0.0002","14.7996","0.0002","11.1737","0.0003","90","","90","","120","","2119.47","0.07","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Bi6 H18 N6 O27 S6 -","- Bi6 H16 N6 O27 S6 -","- Bi18 H48 N18 O81 S18 -","3","0.166667","","Philip C. Andrews; Madleen Busse; Peter C. Junk; Craig M. Forsyth; Roshani Peiris","Sulfonato-encapsulated bismuth(III) oxido-clusters from Bi2O3 in water under mild conditions","Chem.Commun.","2012","48","","7583","","10.1039/c2cc33495j","","","0.71073","MoKα","","0.0293","0.0251","","","0.0508","0.0523","","","","","","1.148","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108062","22.515","0.0012","24.244","0.0004","31.4","0.0006","90","","91.452","0.002","90","","17134.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C224 H274 Bi38 O131 S24 -","- C224 H274 Bi38 O131 S24 -","- C448 H548 Bi76 O262 S48 -","2","0.5","","Philip C. Andrews; Madleen Busse; Peter C. Junk; Craig M. Forsyth; Roshani Peiris","Sulfonato-encapsulated bismuth(III) oxido-clusters from Bi2O3 in water under mild conditions","Chem.Commun.","2012","48","","7583","","10.1039/c2cc33495j","","","0.7107","synchrotron","","0.0553","0.0492","","","0.1307","0.1347","","","","","","1.018","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108063","12.9487","0.0001","12.9487","0.0001","6.9577","0.0001","90","","90","","120","","1010.3","0.018","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H24 Br8 Fe3 N24 -","- C12 H24 Br8 Fe3 N24 -","- C12 H24 Br8 Fe3 N24 -","1","0.166667","","Olivier Roubeau; Marco Evangelisti; Eva Natividad","A spin crossover ferrous complex with ordered magnetic ferric anions","Chem.Commun.","2012","48","","7604","","10.1039/c2cc33709f","","","0.71073","MoKα","","0.0546","0.028","","","0.0577","0.0608","","","","","","0.859","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108064","12.683","0.002","12.683","0.002","6.798","0.0014","90","","90","","120","","947","0.3","104","2","104","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H24 Br8 Fe3 N24 -","- C12 H24 Br8 Fe3 N24 -","- C12 H24 Br8 Fe3 N24 -","1","0.166667","","Olivier Roubeau; Marco Evangelisti; Eva Natividad","A spin crossover ferrous complex with ordered magnetic ferric anions","Chem.Commun.","2012","48","","7604","","10.1039/c2cc33709f","","","0.7378","synchrotron","","0.0359","0.0358","","","0.0978","0.0979","","","","","","1.086","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108065","12.9404","0.0004","12.9404","0.0004","6.9522","0.0003","90","","90","","120","","1008.2","0.06","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C12 H24 Br8 Fe2 N24 Zn -","- C12 H24 Br8 Fe2 N24 Zn -","- C12 H24 Br8 Fe2 N24 Zn -","1","0.166667","","Olivier Roubeau; Marco Evangelisti; Eva Natividad","A spin crossover ferrous complex with ordered magnetic ferric anions","Chem.Commun.","2012","48","","7604","","10.1039/c2cc33709f","","","0.71073","MoKα","","0.071","0.0478","","","0.0966","0.1072","","","","","","1.057","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108066","19.8419","0.0015","5.3049","0.0004","11.5941","0.0009","90","","90.646","0.004","90","","1220.31","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O3 S -","- C11 H19 N O3 S -","- C44 H76 N4 O12 S4 -","4","1","","Mari C. M. Higginbotham; Magnus W. P. Bebbington","Gold(I)-catalysed synthesis of cyclic sulfamidates by intramolecular allene hydroamination","Chem.Commun.","2012","48","","7565","","10.1039/c2cc33711h","","","0.71073","MoKα","","0.0417","0.0329","","","0.0846","0.089","","","","","","1.049","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108067","39.867","0.0009","12.0678","0.0003","19.2296","0.0004","90","","116.786","0.001","90","","8258.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Cl2 N2 Si0.89 -","- C46 H54 Cl2 N2 Si0.887 -","- C368 H432 Cl16 N16 Si7.096 -","8","1","","Amit Pratap Singh; Rajendra S. Ghadwal; Herbert W. Roesky; Julian J. Holstein; Birger Dittrich; Jean-Philippe Demers; Veniamin Chevelkov; Adam Lange","Lewis base mediated dismutation of trichlorosilane","Chem.Commun.","2012","48","","7574","","10.1039/c2cc33835a","","","1.54178","CuKα","","0.0594","0.0559","","","","0.0805","","","","","","0.97","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108068","12.9849","0.0003","20.5346","0.0004","21.2339","0.0004","90","","90","","90","","5661.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H88 Cl2 N4 Si -","- C60 H88 Cl2 N4 Si -","- C240 H352 Cl8 N16 Si4 -","4","1","","Amit Pratap Singh; Rajendra S. Ghadwal; Herbert W. Roesky; Julian J. Holstein; Birger Dittrich; Jean-Philippe Demers; Veniamin Chevelkov; Adam Lange","Lewis base mediated dismutation of trichlorosilane","Chem.Commun.","2012","48","","7574","","10.1039/c2cc33835a","","","1.54178","CuKα","","0.0313","0.0309","","","","0.041","","","","","","3.905","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108069","9.2507","0.0013","15.609","0.002","17.265","0.002","95.404","0.002","102.159","0.002","90.147","0.002","2425.6","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H92 Cl12 O12 -","- C112 H92 Cl12 O12 -","- C112 H92 Cl12 O12 -","1","0.5","","Keita Hagiwara; Yoshihisa Sei; Munetaka Akita; Michito Yoshizawa","A tubular macrocycle from covalently linked anthracenes and meta-phenylene spacers","Chem.Commun.","2012","48","","7678","","10.1039/c2cc31383a","","","0.71073","MoKα","","0.112","0.0881","","","0.2378","0.2598","","","","","","1.057","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108070","11.4825","0.0003","15.5104","0.0004","25.7924","0.0008","94.538","0.002","98.483","0.002","95.689","0.002","4500.4","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H96 Cl12 N2 O36 P6 Si7 -","- C40 H96 Cl12 N2 O36 P6 Si7 -","- C80 H192 Cl24 N4 O72 P12 Si14 -","2","1","","Sandra Jahnigen; Erica Brendler; Uwe Bohme; Edwin Kroke","Synthesis of silicophosphates containing SiO~6~-octahedra under ambient conditions - reactions of anhydrous H~3~PO~4~ with alkoxysilanes","Chem.Commun.","2012","48","","7675","","10.1039/c2cc31600e","","","0.71073","MoKα","","0.1218","0.0782","","","0.2207","0.2453","","","","","","1.069","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108071","10.8104","0.0002","12.87","0.0002","22.1394","0.0004","83.502","0.001","88.186","0.001","86.678","0.001","3054.34","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(K-crypt)2[H2NCH2CHCH-Ge9-CHCHCH2NH2]","","- C84 H168 Ge18 K4 N12 O24 -","- C84 H168 Ge18 K4 N12 O24 -","- C84 H168 Ge18 K4 N12 O24 -","1","0.5","","Michael W. Hull; Slavi C. Sevov","Water compatibility and organic transformations of organo-Zintl deltahedral clusters","Chem.Commun.","2012","48","","7720","","10.1039/c2cc32263c","","","0.71073","MoKα","","0.0483","0.034","","","0.0701","0.0752","","","","","","1.038","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108072","16.2578","0.0008","8.2615","0.0004","28.7208","0.0015","90","","90","","90","","3857.6","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H21 N -","- C27 H21 N -","- C216 H168 N8 -","8","1","","Kai Chen; Zhen Zhang; Yin Wei; Min Shi","Thermally induced [3+2] cyclization of aniline-tethered alkylidenecyclopropanes: a facile synthetic protocol of pyrrolo[1,2-a]indoles","Chem.Commun.","2012","48","","7696","","10.1039/c2cc33269h","","","0.71073","MoKα","","0.057","0.0433","","","0.108","0.1165","","","","","","1.03","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108073","9.8435","0.001","9.9731","0.001","10.8542","0.0011","97.636","0.002","116.238","0.002","111.32","0.002","833.58","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","","Kai Chen; Zhen Zhang; Yin Wei; Min Shi","Thermally induced [3+2] cyclization of aniline-tethered alkylidenecyclopropanes: a facile synthetic protocol of pyrrolo[1,2-a]indoles","Chem.Commun.","2012","48","","7696","","10.1039/c2cc33269h","","","0.71073","MoKα","","0.054","0.0453","","","0.1189","0.1265","","","","","","1.08","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108074","9.02","0.003","9.148","0.003","17.351","0.006","105.056","0.006","90.211","0.006","109.425","0.006","1297.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Mn2 N2 O10 -","- C24 H20 Mn2 N2 O10 -","- C48 H40 Mn4 N4 O20 -","2","1","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.0645","0.0392","","","0.0912","0.1035","","","","","","1.005","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108075","14.101","0.002","9.0131","0.0015","13.155","0.002","90","","94.292","0.004","90","","1667.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl Mn N O9 -","- C12 H11 Cl Mn N O9 -","- C48 H44 Cl4 Mn4 N4 O36 -","4","1","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.1316","0.0511","","","0.1064","0.1387","","","","","","0.939","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108076","13.03","0.004","8.432","0.003","16.566","0.005","90","","105.772","0.006","90","","1751.6","1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F3 Mn N O8 S -","- C13 H11 F3 Mn N O8 S -","- C52 H44 F12 Mn4 N4 O32 S4 -","4","1","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.0631","0.0339","","","0.077","0.0915","","","","","","0.997","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108077","14.745","0.005","8.775","0.003","31.476","0.01","90","","99.237","0.009","90","","4020","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 B Mn N O5 -","- C18 H25 B Mn N O5 -","- C144 H200 B8 Mn8 N8 O40 -","8","2","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.1783","0.0916","","","0.1842","0.2124","","","","","","1.032","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108078","7.089","0.007","7.997","0.008","13.897","0.01","97.627","0.016","96.696","0.015","105.95","0.015","741.1","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H10 B F3 Mn N O5 -","- C12 H10 B F3 Mn N O5 -","- C24 H20 B2 F6 Mn2 N2 O10 -","2","1","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.0412","0.0334","","","0.09","0.0953","","","","","","1.037","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108079","8.83","0.002","9.86","0.002","11.793","0.003","109.086","0.004","104.152","0.004","91.234","0.004","935.1","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 F3 N O8 Re S -","- C14 H13 F3 N O8 Re S -","- C28 H26 F6 N2 O16 Re2 S2 -","2","1","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.0271","0.0229","","","0.0567","0.0593","","","","","","1.057","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108080","16.534","0.006","11.294","0.004","13.542","0.005","90","","114.688","0.005","90","","2297.6","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Br Mn N O4 -","- C9 H7 Br Mn N O4 -","- C72 H56 Br8 Mn8 N8 O32 -","8","1","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.1443","0.0481","","","0.0799","0.1019","","","","","","0.841","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108081","9.083","0.003","9.093","0.003","11.271","0.004","75.642","0.005","66.993","0.005","74.222","0.005","813.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br N O5 Re -","- C13 H15 Br N O5 Re -","- C26 H30 Br2 N2 O10 Re2 -","2","1","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.0356","0.0289","","","0.0693","0.0717","","","","","","0.987","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108082","10.874","0.002","10.94","0.002","15.741","0.004","90","","91.706","0.004","90","","1871.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Mn2 N2 O8 -","- C18 H12 Mn2 N2 O8 -","- C72 H48 Mn8 N8 O32 -","4","0.5","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.0474","0.0304","","","0.0736","0.0814","","","","","","0.981","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108083","12.581","0.006","17.889","0.009","16.664","0.009","90","","106.245","0.011","90","","3601","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 B Mn N O5 P -","- C37 H44 B Mn N O5 P -","- C148 H176 B4 Mn4 N4 O20 P4 -","4","1","","Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","Intramolecular carboboration of carbonyl ligands to form boroxycarbenes","Chem.Commun.","2012","48","","7705","","10.1039/c2cc33443g","","","0.71073","MoKα","","0.1057","0.0527","","","0.145","0.1781","","","","","","0.979","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108084","9.3606","0.0011","12.8152","0.0018","16.3781","0.0019","102.249","0.011","101.851","0.01","104.124","0.011","1792.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Cl N2 O7 V -","- C33 H27 Cl N2 O7 V -","- C66 H54 Cl2 N4 O14 V2 -","2","1","","Samya Banerjee; Puja Prasad; Akhtar Hussain; Imran Khan; Paturu Kondaiah; Akhil R. Chakravarty","Remarkable photocytotoxicity of curcumin in HeLa cells in visible light and arresting its degradation on oxovanadium(IV) complex formation","Chem.Commun.","2012","48","","7702","","10.1039/c2cc33576j","","","0.71073","MoKα","","0.1775","0.105","","","0.234","0.2726","","","","","","0.912","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108085","9.395","0.005","12.771","0.006","13.799","0.007","104.045","0.008","107.143","0.004","106.279","0.006","1420","1.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H36 O2 -","- C40 H36 O2 -","- C80 H72 O4 -","2","1","","Penchal Reddy Nandaluru; Prateek Dongare; Christina M. Kraml; Robert A. Pascal; Louise N. Dawe; David W. Thompson; Graham J. Bodwell","Concise, aromatization-based approach to an elaborate C2-symmetric pyrenophane","Chem.Commun.","2012","48","","7747","","10.1039/c2cc33611a","","","0.71075","MoKα","","0.1271","0.0884","","","0.1702","0.1924","","","","","","1.15","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108086","11.6541","0.0002","11.6541","0.0002","43.9234","0.0008","90","","90","","90","","5965.59","0.18","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C33 H43 N O12 -","- C33 H43 N O12 -","- C264 H344 N8 O96 -","8","1","","Wei Zhao; Wei-Guang Wang; Xiao-Nian Li; Xue Du; Rui Zhan; Juan Zou; Yan Li; Hai-Bo Zhang; Fei He; Jian-Xin Pu; Han-Dong Sun","Neoadenoloside A, a highly functionalized diterpene C-glycoside, from Isodon adenolomus","Chem.Commun.","2012","48","","7723","","10.1039/c2cc33656a","","","1.54178","CuKα","","0.0279","0.0279","","","0.0715","0.0715","","","","","","1.07","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108087","33.559","0.007","16.07","0.003","36.895","0.007","90","","92.07","0.03","90","","19884","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C584 H946 K16 N144 O207 Pr16 -","- C584 H768 K16 N144 O207 Pr16 -","- C584 H768 K16 N144 O207 Pr16 -","1","0.25","","Julia Vallejo; Joan Cano; Isabel Castro; Miguel Julve; Francesc Lloret; Oscar Fabelo; Laura Canadillas-Delgado; Emilio Pardo","Slow magnetic relaxation in carbonato-bridged dinuclear lanthanide(III) complexes with 2,3-quinoxalinediolate ligands","Chem.Commun.","2012","48","","7726","","10.1039/c2cc33674j","","","0.7379","synchrotron","","0.1429","0.1286","","","0.342","0.3513","","","","","","1.134","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108088","33.572","0.007","16.084","0.003","36.841","0.007","90","","91.62","0.03","90","","19885","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C292 H485 Gd8 K8 N72 O104 -","- C292 H96 Gd8 K8 N72 O104 -","- C584 H192 Gd16 K16 N144 O208 -","2","0.5","","Julia Vallejo; Joan Cano; Isabel Castro; Miguel Julve; Francesc Lloret; Oscar Fabelo; Laura Canadillas-Delgado; Emilio Pardo","Slow magnetic relaxation in carbonato-bridged dinuclear lanthanide(III) complexes with 2,3-quinoxalinediolate ligands","Chem.Commun.","2012","48","","7726","","10.1039/c2cc33674j","","","0.7379","synchrotron","","0.1454","0.1355","","","0.3684","0.3746","","","","","","1.113","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108089","33.506","0.007","16.097","0.003","36.714","0.007","90","","91.4","0.03","90","","19796","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C292 H477 Dy8 K8 N72 O104 -","- C292 H96 Dy8 K8 N72 O104 -","- C584 H192 Dy16 K16 N144 O208 -","2","0.5","","Julia Vallejo; Joan Cano; Isabel Castro; Miguel Julve; Francesc Lloret; Oscar Fabelo; Laura Canadillas-Delgado; Emilio Pardo","Slow magnetic relaxation in carbonato-bridged dinuclear lanthanide(III) complexes with 2,3-quinoxalinediolate ligands","Chem.Commun.","2012","48","","7726","","10.1039/c2cc33674j","","","0.7379","synchrotron","","0.2048","0.1865","","","0.4928","0.5076","","","","","","1.89","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108090","11.9054","0.0004","11.9347","0.0004","12.3649","0.0004","64.485","0.003","64.935","0.003","85.259","0.003","1425.49","0.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H88 S4 Si4 -","- C52 H88 S4 Si4 -","- C52 H88 S4 Si4 -","1","0.5","","Bob Schroeder; Raja Ashraf; Stuart Thomas; Andrew White; Laure Biniek; Christian Nielsen; Weimin Zhang; Zheng Huang; Pabitra Shakya Tuladhar; Scott Watkins; Thomas Anthopoulos; James R. Durrant; Iain McCulloch","Synthesis of novel thieno[3,2-b]thienobis(silolothiophene) based low bandgap polymers for organic photovoltaics","Chem.Commun.","2012","48","","7699","","10.1039/c2cc33718e","","","0.71073","MoKα","","0.0703","0.0484","","","0.1276","0.1404","","","","","","1.065","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108091","16.03","0.0005","17.0927","0.0005","30.017","0.0008","90","","91.7771","0.0008","90","","8220.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H61 Cl12 N8 Tb -","- C92 H61 Cl12 N8 Tb -","- C368 H244 Cl48 N32 Tb4 -","4","1","","Daisuke Tanaka; Tomoko Inose; Hirofumi Tanaka; Sunri Lee; Naoto Ishikawa; Takuji Ogawa","Proton-induced switching of the single molecule magnetic properties of a porphyrin based TbIII double-decker complex","Chem.Commun.","2012","48","","7796","","10.1039/c2cc00086e","","","0.71075","MoKα","","0.1112","0.08","","","0.212","0.2367","","","","","","1.034","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108092","14.6111","0.0012","14.6111","0.0012","19.3957","0.0016","90","","90","","90","","4140.7","0.6","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C99 H75 Cl6 N10 Tb -","- C90 H58 Cl6 N8 Tb -","- C180 H116 Cl12 N16 Tb2 -","2","0.0625","","Daisuke Tanaka; Tomoko Inose; Hirofumi Tanaka; Sunri Lee; Naoto Ishikawa; Takuji Ogawa","Proton-induced switching of the single molecule magnetic properties of a porphyrin based TbIII double-decker complex","Chem.Commun.","2012","48","","7796","","10.1039/c2cc00086e","","","0.71075","MoKα","","0.0373","0.0373","","","0.1074","0.1075","","","","","","1.125","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108093","8.8528","0.0006","5.7949","0.0004","23.443","0.0017","90","","94.862","0.003","90","","1198.32","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","aie meo-cf3dsb","aie meo-cf3dsb","","- C28 H24 F6 O4 -","- C28 H24 F6 O4 -","- C56 H48 F12 O8 -","2","0.5","","Zhenwei Shi; Joshua Davies; Sei-Hum Jang; Werner Kaminsky; Alex Jen","Aggregation induced emission (AIE) of trifluoromethyl substituted distyrylbenzenes","Chem.Commun.","2012","48","","7880","","10.1039/c2cc32380j","","","0.71073","MoKα","","0.0344","0.0305","","","0.076","0.08","","","","","","1.032","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108094","5.471","0.0016","7.64","0.002","23.076","0.007","90","","95.405","0.014","90","","960.3","0.5","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ref_3lt","ref_3lt","","- C24 H16 F6 -","- C24 H16 F6 -","- C48 H32 F12 -","2","0.5","","Zhenwei Shi; Joshua Davies; Sei-Hum Jang; Werner Kaminsky; Alex Jen","Aggregation induced emission (AIE) of trifluoromethyl substituted distyrylbenzenes","Chem.Commun.","2012","48","","7880","","10.1039/c2cc32380j","","","0.71073","MoKα","","0.083","0.0518","","","0.109","0.1209","","","","","","1.012","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108095","27.7463","0.0002","11.3739","0.0002","17.6834","0.0003","90","","96.862","0.0008","90","","5540.62","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Fe2 Ga N Si -","- C31 H34 Fe2 Ga N Si -","- C248 H272 Fe16 Ga8 N8 Si8 -","8","2","","Bidraha Bagh; Nora C. Breit; Joe B. Gilroy; Gabriele Schatte; Jens Muller","Ferrocenophanes with gallium and silicon as alternating bridges","Chem.Commun.","2012","48","","7823","","10.1039/c2cc32967k","","","0.71069","MoKα","","0.0611","0.0377","","","0.0753","0.0844","","","","","","1.016","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108096","9.633","0.0001","10.863","0.0001","31.849","0.0004","90","","99.995","0.0006","90","","3282.2","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Fe2 Ga N Si2 -","- C34 H42 Fe2 Ga N Si2 -","- C136 H168 Fe8 Ga4 N4 Si8 -","4","1","","Bidraha Bagh; Nora C. Breit; Joe B. Gilroy; Gabriele Schatte; Jens Muller","Ferrocenophanes with gallium and silicon as alternating bridges","Chem.Commun.","2012","48","","7823","","10.1039/c2cc32967k","","","0.71069","MoKα","","0.057","0.0353","","","0.0722","0.0806","","","","","","1.022","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108097","14.423","0.0019","6.1054","0.0008","30.487","0.004","90","","90","","90","","2684.6","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Hailong Yang; Peng Sun; Yan Zhu; Hong Yan; Linhua Lu; Xiaoming Qu; Tingyi Li; Jincheng Mao","Copper-catalyzed decarboxylative C(sp2)-C(sp3) coupling reactions via radical mechanism","Chem.Commun.","2012","48","","7847","","10.1039/c2cc33203e","","","0.71073","MoKα","","0.0555","0.0402","","","0.0991","0.1051","","","","","","1.042","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108098","14.4007","0.0009","35.85","0.002","16.3779","0.0011","90","","90.045","0.002","90","","8455.3","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mo(O)(DBCat)2(ONC5H4CH3) . 1.5 C6H12","Oxobis(3,5-di-tert-butylcatecholato)(4-picoline-N-oxide)molybdenum(VI) sesquicyclohexane solvate","","- C43 H65 Mo N O6 -","- C43 H65 Mo N O6 -","- C344 H520 Mo8 N8 O48 -","8","2","","Travis Marshall-Roth; Sean C. Liebscher; Karl Rickert; Nicholas J. Seewald; Allen G. Oliver; Seth N. Brown","Nonclassical oxygen atom transfer reactions of oxomolybdenum(VI) bis(catecholate)","Chem.Commun.","2012","48","","7826","","10.1039/c2cc33523a","","","0.71073","MoKα","","0.099","0.0547","","","0.1231","0.142","","","","","","1.017","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108099","9.3787","0.0008","10.1906","0.0011","15.9496","0.0018","87.263","0.004","88.165","0.004","67.961","0.003","1411.2","0.3","113","","113","","","","","","","","","2","P -1","-P 1","2","","","","- C42 H24 -","- C42 H24 -","- C84 H48 -","2","1","","Takashi Takeda; Yoshito Tobe","Synthesis and structure of 1,4,5,8-tetraethynylnaphthalene derivatives","Chem.Commun.","2012","48","","7841","","10.1039/c2cc33740a","","","0.71075","MoKα","","","0.0384","","","","0.1268","","","","","","1.102","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108100","5.8382","0.0003","12.5979","0.0006","10.8127","0.0005","90","","91.121","0.004","90","","795.11","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Cu0.5 I N O2 -","- C6 H4 Cu0.5 I N O2 -","- C24 H16 Cu2 I4 N4 O8 -","4","1","","Yuan-Chun He; Jin Yang; Guo-Cheng Yang; Wei-Qiu Kan; Jian-Fang Ma","Solid-state single-crystal-to-single-crystal transformation from a 2D layer to a 3D framework mediated by lattice iodine release","Chem.Commun.","2012","48","","7859","","10.1039/c2cc33831a","","","0.71073","MoKα","","0.0577","0.0408","","","0.0819","0.0942","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108101","4.9737","0.0017","25.022","0.003","11.0111","0.0016","90","","98.48","0.02","90","","1355.4","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H16 Cu2 N4 O8 -","- C24 H16 Cu2 N4 O8 -","- C48 H32 Cu4 N8 O16 -","2","0.5","","Yuan-Chun He; Jin Yang; Guo-Cheng Yang; Wei-Qiu Kan; Jian-Fang Ma","Solid-state single-crystal-to-single-crystal transformation from a 2D layer to a 3D framework mediated by lattice iodine release","Chem.Commun.","2012","48","","7859","","10.1039/c2cc33831a","","","0.71069","MoKα","","0.0947","0.0746","","","0.1781","0.1927","","","","","","1.022","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108102","9.7557","0.0019","10.106","0.003","12.894","0.003","89.221","0.013","72.476","0.01","71.294","0.009","1143.3","0.5","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N2 O5 Zn -","- C21 H16 N2 O5 Zn -","- C42 H32 N4 O10 Zn2 -","2","1","","Hiroshi Sato; Ryotaro Matsuda; Mohammad Hedayetullah Mir; Susumu Kitagawa","Photochemical cycloaddition on the pore surface of a porous coordination polymer impacts on the sorption behavior","Chem.Commun.","2012","48","","7919","","10.1039/c2cc31083j","","","0.71075","MoKα","","","0.0488","","","","0.1493","","","","","","0.997","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108103","9.3209","0.0011","10.2037","0.0016","13.366","0.002","83.037","0.007","70.71","0.006","72.124","0.006","1141.6","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N3 O6 Zn -","- C24 H23 N3 O6 Zn -","- C48 H46 N6 O12 Zn2 -","2","1","","Hiroshi Sato; Ryotaro Matsuda; Mohammad Hedayetullah Mir; Susumu Kitagawa","Photochemical cycloaddition on the pore surface of a porous coordination polymer impacts on the sorption behavior","Chem.Commun.","2012","48","","7919","","10.1039/c2cc31083j","","","0.71075","MoKα","","","0.061","","","","0.1737","","","","","","1.448","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108104","8.371","0.003","11.414","0.004","14.76","0.005","87.652","0.004","88.522","0.004","79.837","0.004","1386.7","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H21 Ir -","- C16 H21 Ir -","- C64 H84 Ir4 -","4","2","","Paul D. Zeits; Tobias Fiedler; John A. Gladysz","Ring opening metathesis polymerization of an eta ^4^-benzene complex: a direct synthesis of a polyacetylene with a regular pattern of pi bound metal fragments","Chem.Commun.","2012","48","","7925","","10.1039/c2cc32150e","","","0.71073","MoKα","","0.0445","0.0342","","","0.0855","0.0981","","","","","","1.045","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108105","13.817","0.002","10.8098","0.0016","14.445","0.002","90","","99.403","0.003","90","","2128.5","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C84 H96 N8 O16 S4 -","4","2","","Kohsuke Ohmatsu; Ayano Goto; Takashi Ooi","Catalytic asymmetric Mannich-type reactions of alpha-cyano alpha-sulfonyl carbanions","Chem.Commun.","2012","48","","7913","","10.1039/c2cc32398b","","","0.71073","MoKα","","0.0647","0.0583","","","0.1345","0.1374","","","","","","1.157","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108106","8.911","0.004","9.919","0.004","24.452","0.011","90","","90","","90","","2161.3","1.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl N2 O4 S -","- C21 H23 Cl N2 O4 S -","- C84 H92 Cl4 N8 O16 S4 -","4","1","","Kohsuke Ohmatsu; Ayano Goto; Takashi Ooi","Catalytic asymmetric Mannich-type reactions of alpha-cyano alpha-sulfonyl carbanions","Chem.Commun.","2012","48","","7913","","10.1039/c2cc32398b","","","0.71073","MoKα","","0.0339","0.0329","","","0.0844","0.0852","","","","","","1.074","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108107","9.7795","0.001","12.3752","0.0013","15.126","0.0016","76.378","0.001","86.18","0.001","81.496","0.001","1758.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H47 Dy N6 O15 -","- C27 H47 Dy N6 O15 -","- C54 H94 Dy2 N12 O30 -","2","1","","Jose Ruiz; Antonio J. Mota; Antonio Rodriguez-Dieguez; Silvia Titos; Juan Manuel Herrera; Eliseo Ruiz; Eduard Cremades; Jean Pierre Costes; Enrique Colacio","Field and dilution effects on the slow relaxation of a luminescent DyO9 low-symmetry single-ion magnet","Chem.Commun.","2012","48","","7916","","10.1039/c2cc32518g","","","0.71069","MoKα","","0.0464","0.038","","","0.0817","0.0861","","","","","","1.028","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108108","9.774","0.0018","12.368","0.002","15.119","0.003","76.302","0.003","86.088","0.003","81.445","0.003","1754.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 Dy0.11 N6 O15 Y0.89 -","- C27 H47 Dy0.11 N6 O15 Y0.89 -","- C54 H94 Dy0.22 N12 O30 Y1.78 -","2","1","","Jose Ruiz; Antonio J. Mota; Antonio Rodriguez-Dieguez; Silvia Titos; Juan Manuel Herrera; Eliseo Ruiz; Eduard Cremades; Jean Pierre Costes; Enrique Colacio","Field and dilution effects on the slow relaxation of a luminescent DyO9 low-symmetry single-ion magnet","Chem.Commun.","2012","48","","7916","","10.1039/c2cc32518g","","","0.71069","MoKα","","0.0559","0.0462","","","0.1121","0.1188","","","","","","1.028","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108109","40.74","0.03","9.259","0.006","12.727","0.009","90","","90","","90","","4801","6","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H23 Br2 N3 O3 -","- C23 H23 Br2 N3 O3 -","- C184 H184 Br16 N24 O24 -","8","2","","Jingchao Feng; Wenjin Yan; Dong Wang; Peng Li; Quantao Sun; Rui Wang","The highly enantioselective addition of indoles and pyrroles to isatins-derived N-Boc ketimines catalyzed by chiral phosphoric acids","Chem.Commun.","2012","48","","8003","","10.1039/c2cc33200k","","","0.71073","MoKα","","0.1488","0.056","","","0.0966","0.1241","","","","","","1","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108110","16.3969","0.0002","16.3969","0.0002","16.3969","0.0002","90","","90","","90","","4408.44","0.09","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 La N6 O13.25 Zn3 -","- C15 H5.47 La N6 O13.25 Zn3 -","- C120 H43.76 La8 N48 O106 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.07","0.0451","","","0.0914","0.0996","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108111","16.3614","0.0005","16.3614","0.0005","16.3614","0.0005","90","","90","","90","","4379.9","0.2","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 Ce N6 O13.25 Zn3 -","- C15 H5.46 Ce N6 O13.25 Zn3 -","- C120 H43.68 Ce8 N48 O106 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0397","0.0271","","","0.053","0.0563","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108112","16.3504","0.0002","16.3504","0.0002","16.3504","0.0002","90","","90","","90","","4371.04","0.09","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 N6 O13.25 Pr Zn3 -","- C15 H5.46 N6 O13.25 Pr Zn3 -","- C120 H43.68 N48 O106 Pr8 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0304","0.0239","","","0.0553","0.0576","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108113","16.3028","0.0001","16.3028","0.0001","16.3028","0.0001","90","","90","","90","","4332.98","0.05","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 N6 O13.25 Sm Zn3 -","- C15 H5.47 N6 O13.25 Sm Zn3 -","- C120 H43.76 N48 O106 Sm8 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0495","0.0317","","","0.0611","0.0664","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108114","16.2939","0.0001","16.2939","0.0001","16.2939","0.0001","90","","90","","90","","4325.89","0.05","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 Eu N6 O13.25 Zn3 -","- C15 H5.47 Eu N6 O13.25 Zn3 -","- C120 H43.76 Eu8 N48 O106 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0492","0.0267","","","0.0492","0.0549","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108115","16.2944","0.0001","16.2944","0.0001","16.2944","0.0001","90","","90","","90","","4326.28","0.05","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 Gd N6 O13.25 Zn3 -","- C15 H5.46 Gd N6 O13.25 Zn3 -","- C120 H43.68 Gd8 N48 O106 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0268","0.0208","","","0.0443","0.0461","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108116","16.2707","0.0003","16.2707","0.0003","16.2707","0.0003","90","","90","","90","","4307.43","0.14","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5.5 N6 O13.25 Tb Zn3 -","- C15 H5.47 N6 O13.25 Tb Zn3 -","- C120 H43.76 N48 O106 Tb8 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0554","0.0349","","","0.0631","0.0703","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108117","16.2486","0.0017","16.2486","0.0017","16.2486","0.0017","90","","90","","90","","4289.9","0.8","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 N6 O13 Y Zn3 -","- C15 H4.98 N6 O13 Y Zn3 -","- C120 H39.84 N48 O104 Y8 Zn24 -","8","0.333333","","C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi","Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork","Chem.Commun.","2012","48","","7964","","10.1039/c2cc33223j","","","0.71073","MoKα","","0.0373","0.024","","","0.0568","0.0609","","","","","","1.096","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108118","20.2892","0.0009","20.2892","0.0009","23.219","0.002","90","","90","","120","","8277.6","0.9","291","2","291","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H104 N14 O19 -","- C120 H104 N14 O19 -","- C360 H312.001 N42 O57 -","3","0.166667","","Chao Deng; Ru Fang; Yangfan Guan; Juli Jiang; Chen Lin; Leyong Wang","Sonication-induced self-assembly of flexible tris(ureidobenzyl)amine: from dimeric aggregates to supramolecular gels","Chem.Commun.","2012","48","","7973","","10.1039/c2cc33408a","","","0.71073","MoKα","","0.0694","0.0479","","","0.1144","0.1226","","","","","","1.031","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108119","8.8717","0.0001","11.6178","0.0001","18.2118","0.0002","90","","90","","90","","1877.08","0.03","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","zhao1785","","","- C12 H34 B2 N2 O6 -","- C12 H34 B2 N2 O6 -","- C48 H136 B8 N8 O24 -","4","1","","Xuenian Chen; Judith Gallucci; Charles Campana; Zhenguo Huang; Hima Kumar Lingam; Sheldon G. Shore; Ji-Cheng Zhao","Anti and gauche conformers of an inorganic butane analogue, NH3BH2NH2BH3","Chem.Commun.","2012","48","","7943","","10.1039/c2cc33621a","","x-ray","0.71073","MoKα","","0.037","0.0314","","","0.0799","0.0832","","","","","","1.032","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108120","8.3112","0.0001","13.0955","0.0002","16.7666","0.0003","90","","90","","90","","1824.87","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","zhao1786","","","- C12 H34 B2 N2 O6 -","- C12 H34 B2 N2 O6 -","- C48 H136 B8 N8 O24 -","4","1","","Xuenian Chen; Judith Gallucci; Charles Campana; Zhenguo Huang; Hima Kumar Lingam; Sheldon G. Shore; Ji-Cheng Zhao","Anti and gauche conformers of an inorganic butane analogue, NH3BH2NH2BH3","Chem.Commun.","2012","48","","7943","","10.1039/c2cc33621a","","x-ray","0.71073","MoKα","","0.0631","0.0356","","","0.0656","0.072","","","","","","1.006","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108121","9.2312","0.0003","9.9744","0.0004","10.6797","0.0004","74.0757","0.0016","79.2214","0.0018","74.1904","0.0019","903.11","0.06","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H16 Cl3 N O3 -","- C20 H16 Cl3 N O3 -","- C40 H32 Cl6 N2 O6 -","2","1","","Mark W. Grafton; Louis J. Farrugia; Hans Martin Senn; Andrew Sutherland","Discovery of a multi-bond forming, four-step tandem process: construction of drug-like polycyclic scaffolds","Chem.Commun.","2012","48","","7994","","10.1039/c2cc33649a","","x-ray","0.71073","MoKα","","0.0517","0.0419","","","0.1171","0.122","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7108122","11.0389","0.0009","11.7426","0.001","13.2377","0.0011","68.091","0.002","77.283","0.001","80.279","0.001","1545.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 O5 P -","- C37 H35 O5 P -","- C74 H70 O10 P2 -","2","1","","Yoshihiko Yamamoto; Kosuke Fukatsu; Hisao Nishiyama","Ruthenium-catalyzed hydrophosphinylative cyclization of 1,6-diynes. Stereoselective synthesis of exocyclic 1,3-dienylphosphine oxides","Chem.Commun.","2012","48","","7985","","10.1039/c2cc34044e","","","0.71073","MoKa","","0.0493","0.0443","","","0.1252","0.1309","","","","","","1.029","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108123","22.5597","0.0012","22.5597","0.0012","22.5597","0.0012","90","","90","","90","","11481.5","1.1","291","2","291","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C88 H58 N8 O53 Zn12 -","- C88 H58 N7.992 O53.0102 Zn12 -","- C352 H232 N31.968 O212.041 Zn48 -","4","0.0833333","","Jiehu Cui; Zhenzhong Lu; Yizhi Li; Zijian Guo; Hegen Zheng","A microporous metal-organic framework with FeS2 topology based on [Zn6(mu6-O)] cluster for reversible sensing of small molecules","Chem.Commun.","2012","48","","7967","","10.1039/c2cc34047j","","","0.71073","MoKα","","0.0446","0.0351","","","0.0843","0.0869","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108124","22.515","0.0009","22.515","0.0009","22.515","0.0009","90","","90","","90","","11413.4","0.8","291","2","291","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C88 H58 N8 O53 Zn12 -","- C88 H58 N8.0004 O53.0001 Zn12 -","- C352 H232 N32.0016 O212 Zn48 -","4","0.0833333","","Jiehu Cui; Zhenzhong Lu; Yizhi Li; Zijian Guo; Hegen Zheng","A microporous metal-organic framework with FeS2 topology based on [Zn6(mu6-O)] cluster for reversible sensing of small molecules","Chem.Commun.","2012","48","","7967","","10.1039/c2cc34047j","","","0.71073","MoKα","","0.0584","0.0398","","","0.1065","0.1123","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108125","9.3377","0.0001","11.1617","0.0002","17.2118","0.0002","90.25","0.001","90.267","0.001","107.955","0.001","1706.48","0.04","243","1","243","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C22 H46 Mn2 P2 Si4 -","- C22 H46 Mn2 P2 Si4 -","- C44 H92 Mn4 P4 Si8 -","2","1","","Sabine Scheuermayer; Floriana Tuna; Michael Bodensteiner; Manfred Scheer; Richard A. Layfield","Spin crossover in phosphorus- and arsenic-bridged cyclopentadienyl-manganese(II) dimers","Chem.Commun.","2012","48","65","8087","8089","10.1039/c2cc32893c","","x-ray","1.54178","CuKα","","0.0374","0.0348","","","0.0954","0.0983","","","","","","1.061","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108126","9.4339","0.0005","17.481","0.0007","11.2554","0.0005","90","","108.566","0.005","90","","1759.57","0.15","123","0.1","123","0.1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H46 As2 Mn2 Si4 -","- C22 H46 As2 Mn2 Si4 -","- C44 H92 As4 Mn4 Si8 -","2","0.5","","Sabine Scheuermayer; Floriana Tuna; Michael Bodensteiner; Manfred Scheer; Richard A. Layfield","Spin crossover in phosphorus- and arsenic-bridged cyclopentadienyl-manganese(II) dimers","Chem.Commun.","2012","48","65","8087","8089","10.1039/c2cc32893c","","x-ray","1.54178","CuKα","","0.0524","0.0473","","","0.1274","0.1335","","","","","","1.065","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108127","22.8105","0.0002","19.0153","0.0002","19.9792","0.0002","90","","117.104","0.0004","90","","7714.23","0.13","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H70 B2 F24 Ir N5 -","- C76 H70 B2 F24 Ir N5 -","- C304 H280 B8 F96 Ir4 N20 -","4","1","","Christina Y. Tang; Nicholas Phillips; Joshua I. Bates; Amber L. Thompson; Matthias J. Gutmann; Simon Aldridge","Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes","Chem.Commun.","2012","48","","8096","","10.1039/c2cc33361a","","","0.71073","MoKα","","0.0423","0.036","","0.0866","0.0813","0.0866","","","","","","0.9206","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108128","22.8105","0.0002","19.0153","0.0002","19.9792","0.0002","90","","117.11","0.1","90","","7714","7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H70 B2 F24 Ir N5 -","- C76 H70 B2 F24 Ir N5 -","- C304 H280 B8 F96 Ir4 N20 -","4","1","","Christina Y. Tang; Nicholas Phillips; Joshua I. Bates; Amber L. Thompson; Matthias J. Gutmann; Simon Aldridge","Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes","Chem.Commun.","2012","48","","8096","","10.1039/c2cc33361a","","neutron","","Neutron","","0.0921","0.0921","","","0.233","0.233","","","","","","1.274","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108129","12.7501","0.0001","14.1549","0.0001","21.1993","0.0002","90","","93.0899","0.0003","90","","3820.41","0.05","150","","150","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C76 H69 B2 F24 N5 Rh -","- C76 H69 B2 F24 N5 Rh -","- C152 H138 B4 F48 N10 Rh2 -","2","0.5","","Christina Y. Tang; Nicholas Phillips; Joshua I. Bates; Amber L. Thompson; Matthias J. Gutmann; Simon Aldridge","Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes","Chem.Commun.","2012","48","","8096","","10.1039/c2cc33361a","","","0.71073","MoKα","","0.0827","0.0669","","0.193","0.1807","0.193","","","","","","0.9614","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108130","12.7649","0.0002","14.1705","0.0002","21.1902","0.0004","90","","93.284","0.001","90","","3826.7","0.11","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C76 H69 B2 F24 N5 Rh -","- C76 H69 B2 F24 N5 Rh -","- C152 H138 B4 F48 N10 Rh2 -","2","0.5","","Christina Y. Tang; Nicholas Phillips; Joshua I. Bates; Amber L. Thompson; Matthias J. Gutmann; Simon Aldridge","Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes","Chem.Commun.","2012","48","","8096","","10.1039/c2cc33361a","","neutron","","Neutron","","0.0944","0.0944","","","0.2349","0.2349","","","","","","1.055","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108131","7.0081","0.0007","8.7904","0.0007","13.0856","0.0015","95.648","0.008","97.09","0.009","91.667","0.008","795.38","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Caffeine:Theophylline cocrystal","","- C15 H18 N8 O4 -","- C15 H18 N8 O4 -","- C30 H36 N16 O8 -","2","1","","Mark D. Eddleston; Gareth O. Lloyd; William Jones","Cocrystal dissociation and molecular demixing in the solid state","Chem.Commun.","2012","48","","8075","","10.1039/c2cc33412g","","","1.54184","CuKα","","0.0718","0.06","","","0.1627","0.1772","","","","","","1.048","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108132","19.8063","0.0006","7.1749","0.0003","22.0931","0.0008","90","","90","","90","","3139.6","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H20 B N3 O4 -","- C14 H20 B N3 O4 -","- C112 H160 B8 N24 O32 -","8","2","","Ming-Cheng Kuo; Hsiao-Fan Chen; Jing-Jong Shyue; Dario M. Bassani; Ken-Tsung Wong","In situ reversible conversion of porphyrin aggregate morphology","Chem.Commun.","2012","48","","8051","","10.1039/c2cc33438k","","","1.54178","CuKα","","0.0581","0.0544","","","0.1423","0.1564","","","","","","0.87","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108133","8.5569","0.0002","9.8055","0.0002","23.4743","0.0006","81.298","0.002","89.186","0.002","89.346","0.002","1946.65","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 N4 Zn -","- C48 H52 N4 Zn -","- C96 H104 N8 Zn2 -","2","1","","Ming-Cheng Kuo; Hsiao-Fan Chen; Jing-Jong Shyue; Dario M. Bassani; Ken-Tsung Wong","In situ reversible conversion of porphyrin aggregate morphology","Chem.Commun.","2012","48","","8051","","10.1039/c2cc33438k","","","1.54178","CuKα","","0.0631","0.0473","","","0.1254","0.1387","","","","","","1.028","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108134","10.1203","0.0014","10.179","0.002","17.871","0.003","90.724","0.004","94.432","0.009","94.513","0.005","1829.5","0.5","103","0.1","103","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H56 O2 Si2 -","- C38 H56 O2 Si2 -","- C76 H112 O4 Si4 -","2","1","","Reginald H. Mitchell; Pengrong Zhang; David J. Berg; Richard Vaughan Williams","An experimental estimate of the relative aromaticity of the cyclooctatetraene dianion by fusion to dimethyldihydropyrene","Chem.Commun.","2012","48","","8144","","10.1039/c2cc33518b","","","0.71073","MoKα","","0.1606","0.0822","","","0.1929","0.2319","","","","","","1.045","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108135","34.4374","0.0008","10.2869","0.0002","13.5539","0.0003","90","","90","","90","","4801.52","0.18","93","2","93","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C55 H68 N4 O5 -","- C55 H68 N4 O5 -","- C220 H272 N16 O20 -","4","0.5","","Ja-Young Park; Kamil Skonieczny; Naoki Aratani; Atsuhiro Osuka; Daniel T. Gryko; Chang-Hee Lee","Calix[4]pyrroles bearing proximally meso-meso linking straps: synthesis and anion binding properties","Chem.Commun.","2012","48","","8060","","10.1039/c2cc33537a","","","1.54187","CuKα","","0.1136","0.0642","","","0.1634","0.2029","","","","","","1.102","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108136","11.7904","0.0006","12.5321","0.0006","19.6483","0.001","72.935","0.003","78.389","0.003","68.038","0.003","2560.2","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Cl3 N4 O5 -","- C56 H72 Cl3 N4 O5 -","- C112 H144 Cl6 N8 O10 -","2","1","","Ja-Young Park; Kamil Skonieczny; Naoki Aratani; Atsuhiro Osuka; Daniel T. Gryko; Chang-Hee Lee","Calix[4]pyrroles bearing proximally meso-meso linking straps: synthesis and anion binding properties","Chem.Commun.","2012","48","","8060","","10.1039/c2cc33537a","","","1.54187","CuKα","","0.2272","0.1251","","","0.2857","0.3635","","","","","","0.894","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108137","8.158","0.002","8.3923","0.0018","11.774","0.002","73.71","0.003","86.066","0.003","86.367","0.003","771.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C34 H34 N2 O10 -","2","1","","Mi-Na Zhao; Zhi-Hui Ren; Yao-Yu Wang; Zheng-Hui Guan","Coupling of enamides with alkynes or arynes for synthesis of substituted pyridines and isoquinolines via amide activation","Chem.Commun.","2012","48","","8105","","10.1039/c2cc33768a","","","0.71073","MoKα","","0.077","0.0533","","","0.1624","0.192","","","","","","1.053","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108138","9.52","0.0019","10.16","0.002","11.49","0.002","102.5","0.03","110.19","0.03","94.42","0.03","1004.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 N2 O16 Zn3 -","- C44 H30 N2 O16 Zn3 -","- C44 H30 N2 O16 Zn3 -","1","0.5","","Yu Zeng; Zhiyong Fu; Hengjun Chen; Changchun Liu; Shijun Liao; Jingcao Dai","Photo- and thermally induced coloration of a crystalline MOF accompanying electron transfer and long-lived charge separation in a stable host-guest system","Chem.Commun.","2012","48","","8114","","10.1039/c2cc33823h","","","0.71073","MoKα","","0.0409","0.031","","","0.0787","0.0856","","","","","","1.042","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108139","8.2326","0.001","11.4464","0.0015","12.2568","0.0014","97.004","0.008","104.823","0.007","103.45","0.008","1065.5","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O3 -","- C29 H20 O3 -","- C58 H40 O6 -","2","1","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.0762","0.0457","","","0.1141","0.138","","","","","","1.053","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108140","8.6928","0.0009","27.828","0.003","15.9755","0.0017","90","","93.278","0.002","90","","3858.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 Cl O5 P -","- C41 H50 Cl O5 P -","- C164 H200 Cl4 O20 P4 -","4","1","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.139","0.0792","","","0.2126","0.2599","","","","","","0.961","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108141","7.0371","0.001","18.781","0.003","34.661","0.006","90","","90.2","0.002","90","","4580.9","1.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O5 -","- C27 H23 N O5 -","- C216 H184 N8 O40 -","8","2","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.1182","0.0571","","","0.1373","0.1714","","","","","","0.938","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108142","10.6388","0.0002","17.7523","0.0004","14.6042","0.0003","90","","103.685","0.001","90","","2679.89","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N O2 -","- C36 H27 N O2 -","- C144 H108 N4 O8 -","4","1","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.1566","0.0849","","","0.2605","0.31","","","","","","1.233","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108143","14.8668","0.0003","11.2853","0.0003","18.3823","0.0005","90","","109.591","0.001","90","","2905.58","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N O3 -","- C37 H29 N O3 -","- C148 H116 N4 O12 -","4","1","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.175","0.0608","","","0.1365","0.2022","","","","","","1.04","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108144","9.443","0.004","17.398","0.008","19.97","0.009","66.139","0.011","78.522","0.007","76.82","0.007","2900","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 N O4 S -","- C36 H27 N O4 S -","- C144 H108 N4 O16 S4 -","4","2","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.1482","0.0994","","","0.2563","0.2963","","","","","","1.002","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108145","14.182","0.006","11.626","0.005","17.884","0.008","90","","92.334","0.008","90","","2946","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H26 Cl N O4 -","- C37 H26 Cl N O4 -","- C148 H104 Cl4 N4 O16 -","4","1","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.1549","0.0585","","","0.1568","0.233","","","","","","0.969","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108146","9.7424","0.0004","10.2579","0.0005","14.6034","0.0006","109.778","0.002","98.868","0.002","98.878","0.002","1323.02","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N O4 -","- C31 H31 N O4 -","- C62 H62 N2 O8 -","2","1","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.0799","0.051","","","0.1363","0.1767","","","","","","1.1","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108147","8.1399","0.0002","12.4092","0.0003","12.5776","0.0004","78.451","0.001","87.408","0.002","78.835","0.002","1221.15","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 Cl N O4 S -","- C29 H18 Cl N O4 S -","- C58 H36 Cl2 N2 O8 S2 -","2","1","","Yu-Ting Lee; Yeong-Jiunn Jang; Siang-en Syu; Shu-Chi Chou; Chia-Jui Lee; Wenwei Lin","Preparation of functional benzofurans and indoles via chemoselective intramolecular Wittig reactions","Chem.Commun.","2012","48","","8135","","10.1039/c2cc33972b","","","0.71073","MoKα","","0.0476","0.035","","","0.0982","0.1199","","","","","","1.125","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108148","12.3598","0.0003","18.4204","0.0004","18.896","0.0004","90","","97.75","0.001","90","","4262.8","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 B Cl F15 N2 -","- C45 H37 B Cl F15 N2 -","- C180 H148 B4 Cl4 F60 N8 -","4","1","","Ghadwal, Rajendra S.; Azhakar, Ramachandran; Roesky, Herbert W.; Pröpper, Kevin; Dittrich, Birger; Goedecke, Catharina; Frenking, Gernot","Donor‒acceptor stabilized silaformyl chloride","Chemical Communications (Cambridge, United Kingdom)","2012","48","66","8186","8188","10.1039/c2cc32887a","","","1.54178","CuKα","","0.0401","0.0362","","","0.0972","0.104","","","","","","1.061","","","","has coordinates","211025","2020-10-21","18:00:00",""
"7108149","19.5187","0.0003","24.0524","0.0004","18.8976","0.0003","90","","90.686","0.001","90","","8871.3","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36.9 B Cl F15 N2 O0.9 Si0.9 -","- C45 H36.9 B Cl F15 N2 O0.9 Si0.9 -","- C360 H295.2 B8 Cl8 F120 N16 O7.2 Si7.2 -","8","2","","Ghadwal, Rajendra S.; Azhakar, Ramachandran; Roesky, Herbert W.; Pröpper, Kevin; Dittrich, Birger; Goedecke, Catharina; Frenking, Gernot","Donor‒acceptor stabilized silaformyl chloride","Chemical Communications (Cambridge, United Kingdom)","2012","48","66","8186","8188","10.1039/c2cc32887a","","","1.54178","CuKα","","0.0599","0.0583","","","0.1577","0.1595","","","","","","1.103","","","","has coordinates,has disorder","211025","2020-10-21","18:00:00",""
"7108150","9.3334","0.0016","11.853","0.002","18.412","0.003","96.076","0.012","96.664","0.012","99.784","0.013","1977.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 F8 I3 N2 O7 -","- C34 H31 F8 I3 N2 O7 -","- C68 H62 F16 I6 N4 O14 -","2","1","","Javier Marti-Rujas; Luca Colombo; Jian Lu; Archan Dey; Giancarlo Terraneo; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Hydrogen and halogen bonding drive the orthogonal self-assembly of an organic framework possessing 2D channels","Chem.Commun.","2012","48","","8207","","10.1039/c2cc33682k","","","0.71073","MoKα","","0.0833","0.0453","","","0.0929","0.1089","","","","","","1.076","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108151","9.004","0.002","11.872","0.002","19.283","0.004","94.51","0.02","91.37","0.02","107.65","0.02","1955.7","0.7","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H21 F8 I3 N4 O6 -","- C36 H21 F8 I3 N4 O6 -","- C72 H42 F16 I6 N8 O12 -","2","1","","Javier Marti-Rujas; Luca Colombo; Jian Lu; Archan Dey; Giancarlo Terraneo; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Hydrogen and halogen bonding drive the orthogonal self-assembly of an organic framework possessing 2D channels","Chem.Commun.","2012","48","","8207","","10.1039/c2cc33682k","","","0.71073","MoKα","","0.1049","0.083","","","0.1806","0.1941","","","","","","1.254","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108152","9.2497","0.0004","11.8502","0.0006","19.157","0.001","92.354","0.003","94.75","0.003","98.469","0.003","2066.76","0.18","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H19 Br4 F8 I3 N2 O2 -","- C36 H19 Br4 F8 I3 N2 O2 -","- C72 H38 Br8 F16 I6 N4 O4 -","2","1","","Javier Marti-Rujas; Luca Colombo; Jian Lu; Archan Dey; Giancarlo Terraneo; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Hydrogen and halogen bonding drive the orthogonal self-assembly of an organic framework possessing 2D channels","Chem.Commun.","2012","48","","8207","","10.1039/c2cc33682k","","","0.71073","MoKα","","0.0926","0.0561","","","0.1404","0.1559","","","","","","1.059","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108153","9.3175","0.0006","10.3237","0.0006","13.5796","0.0007","68.372","0.002","74.546","0.003","85.996","0.003","1169.78","0.12","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H10 F8 I2 N2 O2 -","- C24 H10 F8 I2 N2 O2 -","- C48 H20 F16 I4 N4 O4 -","2","1","","Javier Marti-Rujas; Luca Colombo; Jian Lu; Archan Dey; Giancarlo Terraneo; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Hydrogen and halogen bonding drive the orthogonal self-assembly of an organic framework possessing 2D channels","Chem.Commun.","2012","48","","8207","","10.1039/c2cc33682k","","","0.71073","MoKα","","0.0536","0.0468","","","0.1232","0.1299","","","","","","1.014","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108154","17.3797","0.0004","16.6989","0.0003","21.4272","0.0005","90","","107.578","0.002","90","","5928.3","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cl2 Dy2 N6 O34 Zn -","- C36 H26 Cl2 Dy2 N6 O34.0008 Zn -","- C144 H104 Cl8 Dy8 N24 O136.003 Zn4 -","4","0.5","","Peng-Fei Shi; Bin Zhao; Gang Xiong; Yin-Ling Hou; Peng Cheng","Fast capture and separation of, and luminescent probe for, pollutant chromate using a multi-functional cationic heterometal-organic framework","Chem.Commun.","2012","48","","8231","","10.1039/c2cc33707j","","","0.7107","MoKα","","0.0532","0.0421","","","0.1309","0.1343","","","","","","1.176","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108155","11.139","0.0009","11.9736","0.0007","15.3398","0.001","110.014","0.006","106.655","0.007","94.675","0.006","1804.7","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 F12 N4 O20 P2 -","- C70 H84 F12 N4 O20 P2 -","- C70 H84 F12 N4 O20 P2 -","1","0.5","","Xuzhou Yan; Xiujuan Wu; Peifa Wei; Mingming Zhang; Feihe Huang","A chemical-responsive bis(m-phenylene)-32-crown-10/2,7-diazapyrenium salt [2]pseudorotaxane","Chem.Commun.","2012","48","","8201","","10.1039/c2cc33783e","","","1.54184","CuKα","","0.073","0.0504","","","0.1279","0.1443","","","","","","1.023","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108156","16.165","0.003","21.255","0.004","41.304","0.008","90","","95.56","0.03","90","","14125","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C246 H388 K6 N12 Ni6 O18 -","- C246 H388 K6 N12 Ni6 O18 -","- C492 H776 K12 N24 Ni12 O36 -","2","0.5","","Bettina Horn; Christian Limberg; Christian Herwig; Michael Feist; Stefan Mebs","CO oxidation at nickel centres by N2O or O2 to yield a novel hexanuclear carbonate","Chem.Commun.","2012","48","","8243","","10.1039/c2cc33846g","","","0.71073","MoKα","","0.1125","0.0741","","","0.1962","0.2155","","","","","","1.031","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108157","7.7723","0.0005","9.8812","0.0007","14.8483","0.0011","90","","90.404","0.006","90","","1140.32","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","piracetam LiBr 2H2O","","","- C6 H14 Br Li N2 O4 -","- C6 H14 Br Li N2 O4 -","- C24 H56 Br4 Li4 N8 O16 -","4","1","","Dario Braga; Fabrizia Grepioni; Lucia Maini; Davide Capucci; Saverio Nanna; Johan Wouters; Luc Aerts; Luc Quere","Combining piracetam and lithium salts: ionic co-crystals and co-drugs?","Chem.Commun.","2012","48","","8219","","10.1039/c2cc33855f","","","0.71073","MoKα","","0.0738","0.0488","","","0.0873","0.0949","","","","","","1.087","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108158","9.123","0.0001","12.1788","0.0002","8.1089","0.0002","90","","101.855","0.0008","90","","881.74","0.03","","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Cl Li N2 O2 -","- C6 H10 Cl Li N2 O2 -","- C24 H40 Cl4 Li4 N8 O8 -","4","1","","Dario Braga; Fabrizia Grepioni; Lucia Maini; Davide Capucci; Saverio Nanna; Johan Wouters; Luc Aerts; Luc Quere","Combining piracetam and lithium salts: ionic co-crystals and co-drugs?","Chem.Commun.","2012","48","","8219","","10.1039/c2cc33855f","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108159","7.5347","0.0011","9.7992","0.0012","14.732","0.003","90","","91.596","0.013","90","","1087.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl Li N2 O4 -","- C6 H14 Cl Li N2 O4 -","- C24 H56 Cl4 Li4 N8 O16 -","4","1","","Dario Braga; Fabrizia Grepioni; Lucia Maini; Davide Capucci; Saverio Nanna; Johan Wouters; Luc Aerts; Luc Quere","Combining piracetam and lithium salts: ionic co-crystals and co-drugs?","Chem.Commun.","2012","48","","8219","","10.1039/c2cc33855f","","","0.71073","MoKα","","0.1141","0.0615","","","0.1541","0.1958","","","","","","0.958","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108160","9.5223","0.0001","10.2081","0.0001","18.3986","0.0003","89.2381","0.0006","80.7371","0.0006","63.7452","0.0006","1579.62","0.04","90","0.2","90","0.2","","","","","","","","4","P 1","P 1","1","","","","- C73 H80 F8 Si2 -","- C73 H80 F8 Si2 -","- C73 H80 F8 Si2 -","1","1","","Balaji Purushothaman; Sean R. Parkin; Mark J. Kendrick; Daniel David; Jeremy W. Ward; Liyang Yu; Natalie Stingelin; Oana D. Jurchescu; Oksana Ostroverkhova; John E. Anthony","Synthesis and charge transport studies of stable, soluble hexacenes","Chem.Commun.","2012","48","","8261","","10.1039/c2cc33919f","","","0.71073","MoKα","","0.1076","0.0635","","","0.1479","0.174","","","","","","1.033","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108161","10.4925","0.0001","11.4782","0.0001","12.3333","0.0002","90","","90","","90","","1485.36","0.03","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 2","P 2 2ab","18","","","","- C18 H28 Mn2 N10 Nb O12 -","- C18 H28 Mn2 N10 Nb O12 -","- C36 H56 Mn4 N20 Nb2 O24 -","2","0.5","","Dawid Pinkowicz; Michal Rams; Wojciech Nitek; Bernard Czarnecki; Barbara Sieklucka","Evidence for magnetic anisotropy of [Nb^IV^(CN)8]\4- in a pillared-layered Mn2Nb framework showing spin-flop transition","Chem.Commun.","2012","48","","8323","","10.1039/c2cc32234j","","x-ray","0.71073","MoKα","","0.0366","0.0282","","","0.0614","0.0649","","","","","","1.076","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108162","30.142","0.004","8.6063","0.001","18.248","0.002","90","","90.703","0.003","90","","4733.4","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O8 Pd4 -","- C18 H22 O8 Pd4 -","- C144 H176 O64 Pd32 -","8","1","","Kirill Monakhov; Christophe Gourlaouen; Pierre Braunstein","Stabilisation of a triply-bridging cyclopentadienyl ligand in a tetrapalladium cluster","Chem.Commun.","2012","48","","8317","","10.1039/c2cc32886k","","","0.71073","MoKα","","0.1125","0.0674","","","0.1518","0.1693","","","","","","1.064","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108163","13.532","0.001","15.708","0.001","15.836","0.001","71.217","0.001","70.92","0.001","68.965","0.001","2888.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H134 Cu2 N4 O27 P4 -","- C124 H104 Cu2 N4 O27 P4 -","- C124 H104 Cu2 N4 O27 P4 -","1","0.5","","Jesus Ferrando-Soria; Maria Castellano; Rafael Ruiz-Garcia; Joan Cano; Miguel Julve; Francesc Lloret; Jorge Pasan; Catalina Ruiz-Perez; Laura Canadillas-Delgado; Yangling Li; Yves Journaux; Emilio Pardo","Redox switching of the antiferromagnetic coupling in permethylated dicopper(II) paracyclophanes","Chem.Commun.","2012","48","","8401","","10.1039/c2cc33385f","","x-ray","0.7513","synchrotron","","0.0415","0.0412","","","0.1104","0.1107","","","","","","1.036","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108164","31.401","0.006","10.116","0.002","26.867","0.005","90","","119.53","0.03","90","","7426","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 Ag6 F12 N16 O17 S4 -","- C56 H48 Ag6 F12 N16 O17 S4 -","- C224 H192 Ag24 F48 N64 O68 S16 -","4","0.5","","Cai-Yan Gao; Xin He; Liang Zhao; Mei-Xiang Wang","Dual templated synthesis of silver acetylide cluster-encapsulated supramolecular boxes","Chem.Commun.","2012","48","","8368","","10.1039/c2cc33757f","","","0.71073","MoKα","","0.0975","0.0933","","","0.2558","0.2601","","","","","","1.104","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108165","13.02","0.003","15.085","0.003","18.935","0.004","76.29","0.03","84.39","0.03","83.27","0.03","3578.7","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H56 Ag5 B3 F12 N16 O2 -","- C59 H56 Ag5 B3 F12 N16 O2 -","- C118 H112 Ag10 B6 F24 N32 O4 -","2","1","","Cai-Yan Gao; Xin He; Liang Zhao; Mei-Xiang Wang","Dual templated synthesis of silver acetylide cluster-encapsulated supramolecular boxes","Chem.Commun.","2012","48","","8368","","10.1039/c2cc33757f","","","0.71073","MoKα","","0.1146","0.0824","","","0.1978","0.2173","","","","","","1.076","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108166","17.7471","0.0001","31.6276","0.0002","48.1971","0.0002","90","","90","","90","","27052.9","0.3","153","2","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 Ge N9 O36 W10 -","- C102 Ge N9 O36 W10 -","- C816 Ge8 N72 O288 W80 -","8","1","","Kosei Sugahara; Toshihiro Kimura; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","A highly negatively charged Y-Keggin germanodecatungstate efficient for Knoevenagel condensation","Chem.Commun.","2012","48","67","8422","8424","10.1039/c2cc33839d","","x-ray","0.71069","MoKα","","","0.0866","","","","0.2543","","","","","","1.271","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108167","11.6252","0.0001","22.3313","0.0002","21.6699","0.0002","90","","91.848","","90","","5622.71","0.09","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 Ge N4 O44 W10 -","- C16 Ge N4 O44 W10 -","- C64 Ge4 N16 O176 W40 -","4","1","","Kosei Sugahara; Toshihiro Kimura; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","A highly negatively charged Y-Keggin germanodecatungstate efficient for Knoevenagel condensation","Chem.Commun.","2012","48","67","8422","8424","10.1039/c2cc33839d","","","0.71069","MoKα","","","0.0493","","","","0.1829","","","","","","1.539","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108168","8.959","0.001","17.604","0.002","11.96","0.001","90","","110.056","0.002","90","","1771.9","0.3","150","0.1","150","0.1","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C29 H52 Cl6 P2 Pt -","- C27 H48 Cl2 P2 Pt -","- C54 H96 Cl4 P4 Pt2 -","2","0.5","","Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles","Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation","Chem.Commun.","2012","48","67","8350","8352","10.1039/c2cc33847e","","","0.71069","MoKα","","0.0384","0.0384","","","0.102","0.102","","","","","","1.066","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108169","25.262","0.001","9.278","0.001","17.617","0.001","90","","117.018","0.001","90","","3678.5","0.5","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H54 Cl4 I2 P2 Pt -","- C29 H54 Cl4 I2 P2 Pt -","- C116 H216 Cl16 I8 P8 Pt4 -","4","0.5","","Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles","Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation","Chem.Commun.","2012","48","67","8350","8352","10.1039/c2cc33847e","","","0.71069","MoKα","","0.0494","0.0387","","","0.1009","0.1069","","","","","","1.101","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108170","11.772","0.001","13.486","0.001","25.007","0.002","90","","104.899","0.002","90","","3836.6","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H66 P2 Pt -","- C41 H66 P2 Pt -","- C164 H264 P8 Pt4 -","4","1","","Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles","Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation","Chem.Commun.","2012","48","67","8350","8352","10.1039/c2cc33847e","","","0.71069","MoKα","","0.0319","0.0271","","","0.0573","0.0605","","","","","","1.047","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108171","11.408","0.001","17.246","0.001","18.454","0.001","78.329","0.001","72.921","0.001","85.186","0.001","3397.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H110 P4 Pt2 -","- C54 H102 P4 Pt2 -","- C108 H204 P8 Pt4 -","2","1","","Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles","Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation","Chem.Commun.","2012","48","67","8350","8352","10.1039/c2cc33847e","","","0.71069","MoKα","","0.0434","0.0339","","","0.0719","0.077","","","","","","1.073","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108172","13.929","0.003","16.604","0.003","24.31","0.004","98.031","0.014","94.466","0.015","96.054","0.015","5511.6","1.8","95","2","95","2","","","","","","","synthetical product","7","P -1","-P 1","2","","tetradecalithium-tetrakis[2,6-dimesitylphenyl-disulfido-silanolate] dichloride-2-n-pentane","","- C106 H124 Cl2 Li14 O4 S8 Si4 -","- C106 H124 Cl2 Li14 O4 S8 Si4 -","- C212 H248 Cl4 Li28 O8 S16 Si8 -","2","1","","Stefan Spirk; Ferdinand Belaj; Natascha Hurkes; Rudolf Pietschnig","A 32 vertex polyhedron via supramolecular assembly of silanedithiolate silanolate units","Chem.Commun.","2012","48","","8398","","10.1039/c2cc33883a","","","0.71069","MoKα","","0.0791","0.0506","","","0.1054","0.1192","","","","","","1.02","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108173","15.287","0.003","15.287","0.003","25.661","0.005","90","","90","","90","","5997","2","95","2","95","2","","","","","","","synthetical product","7","I -4","I -4","82","","tetradecalithium-tetrakis[2,6-dimesitylphenyl-disulfido-silanolate] dichloride-4-n-pentane","","- C116 H148 Cl2 Li14 O4 S8 Si4 -","- C116 H148 Cl2 Li14 O4 S8 Si4 -","- C232 H296 Cl4 Li28 O8 S16 Si8 -","2","0.25","","Stefan Spirk; Ferdinand Belaj; Natascha Hurkes; Rudolf Pietschnig","A 32 vertex polyhedron via supramolecular assembly of silanedithiolate silanolate units","Chem.Commun.","2012","48","","8398","","10.1039/c2cc33883a","","","0.71069","MoKα","","0.0814","0.0584","","","0.1277","0.1409","","","","","","1.007","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108174","14.445","0.002","16.804","0.003","27.691","0.003","102.661","0.013","90.088","0.012","110.203","0.013","6132.7","1.7","95","2","95","2","","","","","","","synthetical product","7","P -1","-P 1","2","","tetradecalithium-tetrakis[2,6-dimesitylphenyl-disulfido-silanolate] dichloride-5-benzene","","- C126 H130 Cl2 Li14 O4 S8 Si4 -","- C126 H130 Cl2 Li14 O4 S8 Si4 -","- C252 H260 Cl4 Li28 O8 S16 Si8 -","2","1","","Stefan Spirk; Ferdinand Belaj; Natascha Hurkes; Rudolf Pietschnig","A 32 vertex polyhedron via supramolecular assembly of silanedithiolate silanolate units","Chem.Commun.","2012","48","","8398","","10.1039/c2cc33883a","","","0.71069","MoKα","","0.0655","0.0476","","","0.1098","0.1209","","","","","","1.016","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108175","49.964","0.006","49.964","0.006","49.964","0.006","90","","90","","90","","124730","3","296","2","296","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","DUT-51(Zr)","","","- C108 H184 N18 O65 S12 Zr6 -","- C40 H8 O32 S12 Zr6 -","- C960 H192 O768 S288 Zr144 -","24","0.125","","Volodymyr Bon; Volodymyr Senkovskyy; Irena Senkovska; Stefan Kaskel","Zr(IV) and Hf(IV) Metal-Organic Frameworks with reo-topology","Chem.Commun.","2012","48","","8407","","10.1039/c2cc34246d","","x-ray","0.88561","synchrotron","","0.0483","0.0467","","","0.1317","0.1334","","","","","","1.096","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108176","49.84","0.006","49.84","0.006","49.84","0.006","90","","90","","90","","123804","3","293","2","293","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","DUT-51(Hf)","","","- C108 H148 Hf6 N18 O47 S12 -","- C40 H8 Hf6 O32 S12 -","- C960 H192 Hf144 O768 S288 -","24","0.125","","Volodymyr Bon; Volodymyr Senkovskyy; Irena Senkovska; Stefan Kaskel","Zr(IV) and Hf(IV) Metal-Organic Frameworks with reo-topology","Chem.Commun.","2012","48","","8407","","10.1039/c2cc34246d","","x-ray","0.88561","synchrotron","","0.0365","0.0355","","","0.1034","0.1046","","","","","","1.1","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108177","21.8094","0.0008","29.6604","0.0011","23.9915","0.0009","90","","114.834","0.001","90","","14084.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MonoOxaGd5","","","- C129 H207 Gd5 N12 O34 -","- C126 H195 Gd5 N11 O33 -","- C504 H780 Gd20 N44 O132 -","4","1","","Robyn Fairbairn; Ross McLellan; Ruaraidh McIntosh; Stephanie Taylor; Euan Brechin; Scott Dalgarno","Calixarene-supported rare-earth clusters: heteroatom bridge influences cluster composition","Chem.Commun.","2012","48","","8493","","10.1039/c2cc33166g","","","0.71073","MoKα","","0.104","0.0605","","","0.1237","0.1353","","","","","","1.041","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108178","14.0951","0.0001","17.492","0.0002","19.8743","0.0002","107.86","0.0006","90.2326","0.0005","103.78","0.0006","4513.86","0.08","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.5 H53.5 Fe2 P2 -","- C53.5 H53.5 Fe2 P2 -","- C214 H214 Fe8 P8 -","4","2","","Takahiro Sasamori; Michiyasu Sakagami; Masatoshi Niwa; Heisuke Sakai; Yukio Furukawa; Norihiro Tokitoh","Synthesis of a stable 1,2-bis(ferrocenyl)diphosphene","Chem.Commun.","2012","48","","8562","","10.1039/c2cc33277a","","","0.71075","MoKα","","0.0425","0.0386","","","0.1022","0.1054","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108179","17.778","0.002","26.576","0.003","12.4884","0.0012","90","","90","","90","","5900.4","1.1","100","2","100","2","","","","","","","","4","I b a 2","I 2 -2c","45","N-(4-amino-2,2,6,6-tetramethylpiperidinyloxyl)-6-N-(2- methylaminopyridine)-7,12-dihydroindolo-(3,2-d)(1)benzazepine-9- carboxamide methanol solvate","N-(4-amino-2,2,6,6-tetramethylpiperidinyloxyl)-6-N-(2-methylaminopyridine)-7,12- dihydroindolo-[3,2-d][1]benzazepine-9-carboxamide methanol solvate","","- C33 H39 N6 O3 -","- C33 H39 N6 O3 -","- C264 H312 N48 O24 -","8","1","","Vladimir B. Arion; Anatolie Dobrov; Simone Goeschl; Michael A. Jakupec; Bernhard K. Keppler; Peter Rapta","Ruthenium(II)- and osmium(II)-arene-based paullones bearing a TEMPO free-radical unit as potential anticancer drugs","Chem.Commun.","2012","48","","8559","","10.1039/c2cc33786j","","","0.71073","MoKα","","0.078","0.0545","","","0.1327","0.1451","","","","","","1.04","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108180","10.469","0.004","9.553","0.003","15.723","0.005","90","","90","","90","","1572.5","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 P S -","- C19 H17 P S -","- C76 H68 P4 S4 -","4","1","","Wang, Feijun; Qu, Mingliang; Chen, Feng; Xu, Qin; Shi, Min","Ph2PI as a reduction/phosphination reagent: providing easy access to phosphine oxides.","Chemical Communications (Cambridge, United Kingdom)","2012","48","68","8580","8582","10.1039/c2cc33908k","","","0.71073","MoKα","","0.0484","0.0464","","","0.1176","0.1197","","","","","","1.048","","","","has coordinates","209792","2020-10-21","18:00:00",""
"7108181","8.4671","0.0012","8.9149","0.0013","13.1177","0.0019","91.426","0.003","100.286","0.002","102.834","0.002","947.8","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","(R,R)-(-)-1,6-Bis(o-chlorophenyl)-1,6-diphenylhexa-2,4-diyn- 1,6-diol 3-methylcyclohexanone clathrate","(R,R)-(-)-1,6-Bis(o-chlorophenyl)-1,6-diphenylhexa-2,4-diyn-1,6-diol 3-methylcyclohexanone clathrate","","- C44 H44 Cl2 O4 -","- C44 H44 Cl2 O4 -","- C44 H44 Cl2 O4 -","1","1","","L.R.Nassimbeni; Hong Su; Tanith-Lee Curtin","Enhanced enantioselectivity of 3-methylcyclohexanone by mixed diol host compounds","Chem.Commun.","2012","48","","8526","","10.1039/c2cc34118b","","","0.71073","MoKα","","0.0794","0.0682","","","0.1857","0.198","","","","","","1.046","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108182","8.5231","0.0008","8.7974","0.0009","13.1011","0.0013","91.629","0.002","99.871","0.002","102.048","0.002","944.37","0.16","173","2","173","2","","","","","","","","4","P 1","P 1","1","(R,R)-(-)-1,6-Bis(o-chlorophenyl)-1,6-diphenylhexa-2,4-diyn- 1,6-diol 3-methylcyclohexanone clathrate","(R,R)-(-)-1,6-Bis(o-chlorophenyl)-1,6-diphenylhexa-2,4-diyn-1,6-diol 3-methylcyclohexanone clathrate","","- C44 H44 Cl2 O4 -","- C44 H44 Cl2 O4 -","- C44 H44 Cl2 O4 -","1","1","","L.R.Nassimbeni; Hong Su; Tanith-Lee Curtin","Enhanced enantioselectivity of 3-methylcyclohexanone by mixed diol host compounds","Chem.Commun.","2012","48","","8526","","10.1039/c2cc34118b","","","0.71073","MoKα","","0.0976","0.0791","","","0.2132","0.2326","","","","","","1.02","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108183","6.2924","0.0004","17.7601","0.0011","16.1586","0.001","90","","94.047","0.001","90","","1801.28","0.19","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol 3- methylcyclohexanone clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol 3-methylcyclohexanone clathrate","","- C44 H46 O4 -","- C44 H46 O4 -","- C88 H92 O8 -","2","0.5","","L.R.Nassimbeni; Hong Su; Tanith-Lee Curtin","Enhanced enantioselectivity of 3-methylcyclohexanone by mixed diol host compounds","Chem.Commun.","2012","48","","8526","","10.1039/c2cc34118b","","","0.71073","MoKα","","0.083","0.0588","","","0.1379","0.1517","","","","","","1.053","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108184","9.3945","0.0005","17.0675","0.001","18.9451","0.0012","109.827","0.003","96.627","0.003","93.298","0.002","2823.3","0.3","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C58 H80 Cl N9 O9 -","- C58 H80 Cl N9 O9 -","- C116 H160 Cl2 N18 O18 -","2","1","","and; Nicholas G. White; Paul D. Beer","A catenane host system containing integrated triazole C-H hydrogen bond donors for anion recognition","Chem.Commun.","2012","48","","8499","","10.1039/c2cc34210c","","","0.71073","MoKα","","0.0996","0.0694","","0.1836","0.1598","0.1832","","","","","","0.9711","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108185","11.4693","0.0003","16.2473","0.0005","20.3444","0.0008","97.255","0.003","105.022","0.003","99.338","0.002","3556.2","0.2","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C72 H90 Cl N9 O16.5 -","- C72 H90 Cl N9 O16.5 -","- C144 H180 Cl2 N18 O33 -","2","1","","and; Nicholas G. White; Paul D. Beer","A catenane host system containing integrated triazole C-H hydrogen bond donors for anion recognition","Chem.Commun.","2012","48","","8499","","10.1039/c2cc34210c","","","1.5418","CuKα","","0.0888","0.076","","0.2234","0.2071","0.2233","","","","","","0.9666","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108186","7.3712","0.0007","8.0916","0.0008","13.8262","0.0013","94.596","0.002","98.403","0.002","90.318","0.002","813.06","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Xue-Song Xu; Zhen-Wu Li; Yi-Jun Zhang; Xiao-Shui Peng; Henry N. C. Wong","Total synthesis of (+/-)-pallambins C and D","Chem.Commun.","2012","48","","8517","","10.1039/c2cc34310j","","","0.71073","MoKα","","0.0926","0.0626","","","0.1658","0.1845","","","","","","1.047","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108187","14.4194","0.0018","14.4194","0.0018","6.0541","0.0007","90","","90","","120","","1090.1","0.2","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- C14 H24 O4 -","- C14 H24 O4 -","- C42 H72 O12 -","3","1","","Xue-Song Xu; Zhen-Wu Li; Yi-Jun Zhang; Xiao-Shui Peng; Henry N. C. Wong","Total synthesis of (+/-)-pallambins C and D","Chem.Commun.","2012","48","","8517","","10.1039/c2cc34310j","","","0.71073","MoKα","","0.0926","0.0517","","","0.116","0.1386","","","","","","1.033","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108188","8.331","0.002","8.783","0.002","13.724","0.004","93.33","0.006","106.838","0.006","101.942","0.006","932.8","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Xue-Song Xu; Zhen-Wu Li; Yi-Jun Zhang; Xiao-Shui Peng; Henry N. C. Wong","Total synthesis of (+/-)-pallambins C and D","Chem.Commun.","2012","48","","8517","","10.1039/c2cc34310j","","","0.71073","MoKα","","0.099","0.0585","","","0.1441","0.1732","","","","","","1.019","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108189","14.724","0.007","6.79","0.003","22.394","0.01","90","","108.516","0.009","90","","2123","1.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 O8 S -","- C18 H30 O8 S -","- C72 H120 O32 S4 -","4","1","","Xue-Song Xu; Zhen-Wu Li; Yi-Jun Zhang; Xiao-Shui Peng; Henry N. C. Wong","Total synthesis of (+/-)-pallambins C and D","Chem.Commun.","2012","48","","8517","","10.1039/c2cc34310j","","","0.71073","MoKα","","0.0675","0.0542","","","0.1424","0.1574","","","","","","1.027","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108190","11.6292","0.0015","7.7435","0.0011","12.2967","0.0016","90","","90.516","0.003","90","","1107.3","0.3","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H36 O3 Si -","- C20 H36 O3 Si -","- C40 H72 O6 Si2 -","2","1","","Xue-Song Xu; Zhen-Wu Li; Yi-Jun Zhang; Xiao-Shui Peng; Henry N. C. Wong","Total synthesis of (+/-)-pallambins C and D","Chem.Commun.","2012","48","","8517","","10.1039/c2cc34310j","","","0.71073","MoKα","","0.0502","0.0449","","","0.1185","0.1233","","","","","","1.038","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108191","9.2798","0.0006","6.9773","0.0005","10.569","0.0008","90","","94.586","0.003","90","","682.13","0.08","93","2","93","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H17 N Si -","- C16 H17 N Si -","- C32 H34 N2 Si2 -","2","0.5","","Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo","Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes","Chem.Commun.","2012","48","","8541","","10.1039/c2cc34440h","","","0.71075","MoKα","","0.0452","0.0401","","","0.1113","0.117","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108192","12.5359","0.0018","14.647","0.002","16.586","0.002","90.159","0.004","109.894","0.004","98.672","0.004","2826.1","0.7","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N Si -","- C18 H13 N Si -","- C144 H104 N8 Si8 -","8","4","","Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo","Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes","Chem.Commun.","2012","48","","8541","","10.1039/c2cc34440h","","","0.71075","MoKα","","0.1422","0.1052","","","0.2756","0.3138","","","","","","1.051","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108193","8.112","0.0013","14.615","0.003","9.2149","0.0014","90","","97.739","0.004","90","","1082.5","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F3 N Si -","- C13 H8 F3 N Si -","- C52 H32 F12 N4 Si4 -","4","1","","Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo","Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes","Chem.Commun.","2012","48","","8541","","10.1039/c2cc34440h","","","0.71075","MoKα","","0.0428","0.0359","","","0.0903","0.0946","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108194","13.1959","0.0011","19.4826","0.0015","35.67","0.003","90","","92.882","0.003","90","","9158.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N Si -","- C30 H21 N Si -","- C480 H336 N16 Si16 -","16","4","","Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo","Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes","Chem.Commun.","2012","48","","8541","","10.1039/c2cc34440h","","","0.71075","MoKα","","0.134","0.0611","","","0.1237","0.1627","","","","","","0.927","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108195","7.3912","0.0009","19.057","0.002","21.384","0.002","90","","90","","90","","3012","0.6","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H17 F12 N Si -","- C34 H17 F12 N Si -","- C136 H68 F48 N4 Si4 -","4","1","","Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo","Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes","Chem.Commun.","2012","48","","8541","","10.1039/c2cc34440h","","","0.71075","MoKα","","0.0348","0.0311","","","0.0744","0.0812","","","","","","1.086","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108196","11.125","0.005","11.134","0.005","11.495","0.005","91.983","0.006","103.98","0.006","93.387","0.007","1377.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl3 N O3 -","- C30 H24 Cl3 N O3 -","- C60 H48 Cl6 N2 O6 -","2","1","","Danqing Zheng; Shaoyu Li; Jie Wu","Generation of 3-(1H-pyrrol-3-yl)-1H-inden-1-ones via a tandem reaction of 1-(2-alkynylphenyl)-2-enone, 2-isocyanoacetate, and water","Chem.Commun.","2012","48","","8568","","10.1039/c2cc34509a","","","0.71073","MoKα","","0.1574","0.1074","","","0.3084","0.3429","","","","","","1.024","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7108197","17.789","0.0009","17.789","0.0009","17.789","0.0009","90","","90","","90","","5629.3","0.5","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H78 Br6 N8 O12 S3 -","- C30 H78 Br6 N8 O12 S3 -","- C120 H312 Br24 N32 O48 S12 -","4","0.333333","","Musabbir A. Saeed; Avijit Pramanik; Bryan M. Wong; Syed Ataul Haque; Douglas R. Powell; Dillip Kumar Chand; Md. Alamgir Hossain","Self-assembly of ordered water tetramers in an encapsulated [Br(H2O)12]^-^ complex","Chem.Commun.","2012","48","","8631","","10.1039/c2cc30767g","","","0.71073","MoKα","","0.1269","0.1191","","","0.346","0.351","","","","","","1.244","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7108198","33.623","0.001","17.0023","0.0005","23.3618","0.0007","90","","105.93","0.003","90","","12842.3","0.7","173","2","173","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C120 H118 Ag2 Au6 B4 F16 N10 O P6 S2 -","- C120 H96 Ag2 Au6 B3.998 F16 N10 O P6 S2 -","- C480 H384 Ag8 Au24 B15.992 F64 N40 O4 P24 S8 -","4","0.5","","Li-Qin Mo; Jian-Hua Jia; Li-jia Sun; Quan-Ming Wang","Solvent-induced intercluster rearrangements and the reversible luminescence responses in sulfide bridged gold(I)-silver(I) clusters","Chem.Commun.","2012","48","","8691","","10.1039/c2cc33446a","","","0.71073","MoKα","","0.0914","0.0395","","","0.0852","0.1181","","","","","","0.843","","","","has coordinates,has disorder","180185","2020-10-21","18:00:00",""
"7108199","47.6833","0.0012","72.663","0.003","13.6472","0.0005","90","","90","","90","","47285","3","173","2","173","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C103 H85.5 Ag2 Au6 B4 F16 N6.5 P6 S2 -","- C103 H84 Ag2 Au6 B4 F16 N6.5 P6 S2 -","- C1648 H1344 Ag32 Au96 B64 F256 N104 P96 S32 -","16","1","","Li-Qin Mo; Jian-Hua Jia; Li-jia Sun; Quan-Ming Wang","Solvent-induced intercluster rearrangements and the reversible luminescence responses in sulfide bridged gold(I)-silver(I) clusters","Chem.Commun.","2012","48","","8691","","10.1039/c2cc33446a","","","0.71073","MoKα","","0.0758","0.0499","","","0.1076","0.1125","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108200","14.5234","0.0004","14.6396","0.0004","28.6409","0.0006","75.378","0.002","89.089","0.002","67.769","0.002","5432.7","0.3","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C99 H86 Ag2 Au6 B4 F16 N12 O2 P6 S2 -","- C99 H78 Ag2 Au6 B4 F16 N12 O2 P6 S2 -","- C198 H156 Ag4 Au12 B8 F32 N24 O4 P12 S4 -","2","1","","Li-Qin Mo; Jian-Hua Jia; Li-jia Sun; Quan-Ming Wang","Solvent-induced intercluster rearrangements and the reversible luminescence responses in sulfide bridged gold(I)-silver(I) clusters","Chem.Commun.","2012","48","","8691","","10.1039/c2cc33446a","","","0.71073","MoKα","","0.0589","0.0356","","","0.0777","0.0851","","","","","","0.93","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108201","13.4471","0.0003","22.4381","0.0007","18.2824","0.0005","90","","104.442","0.003","90","","5342","0.3","173","2","173","2","","","","","","","","10","P 1 2/c 1","-P 2yc","13","","","","- C97 H88 Ag2 Au6 B4 F16 N12 O4 P6 S2 -","- C97 H78 Ag2 Au6 B4 F16 N12 O4 P6 S2 -","- C194 H156 Ag4 Au12 B8 F32 N24 O8 P12 S4 -","2","0.5","","Li-Qin Mo; Jian-Hua Jia; Li-jia Sun; Quan-Ming Wang","Solvent-induced intercluster rearrangements and the reversible luminescence responses in sulfide bridged gold(I)-silver(I) clusters","Chem.Commun.","2012","48","","8691","","10.1039/c2cc33446a","","","0.71073","MoKα","","0.1141","0.0667","","","0.0992","0.1133","","","","","","1.073","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108202","9.0694","0.0005","11.4274","0.0005","15.8894","0.0008","77.468","0.004","81.547","0.004","87.07","0.004","1589.76","0.14","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C0 H33 Ge3.3 K6 N11 O0 Si4.7 Zn -","- Ge3.297 H33 K6 N11 Si4.703 Zn -","- Ge6.594 H66 K12 N22 Si9.406 Zn2 -","2","1","","Markus Waibel; Thomas Henneberger; Thomas F. Faessler","[(eta^2^-(Si/Ge)4)Zn(eta^2^-(Si/Ge)4)]^6-^ ‒ novel Zintl clusters with mixed Si/Ge tetrahedra bridged by a Zn atom","Chem.Commun.","2012","48","","8676","","10.1039/c2cc33652a","","","0.71073","MoKα","","0.0895","0.0413","","","0.0785","0.0863","","","","","","0.79","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108203","9.543","0.0003","12.2351","0.0004","13.8927","0.0004","90","","103.145","0.003","90","","1579.6","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Ge3.86 H33 K6 N11 Si4.14 Zn -","- Ge3.852 K6 N11 Si4.148 Zn -","- Ge7.704 K12 N22 Si8.296 Zn2 -","2","1","","Markus Waibel; Thomas Henneberger; Thomas F. Faessler","[(eta^2^-(Si/Ge)4)Zn(eta^2^-(Si/Ge)4)]^6–^ ‒ novel Zintl clusters with mixed Si/Ge tetrahedra bridged by a Zn atom","Chem.Commun.","2012","48","","8676","","10.1039/c2cc33652a","","","0.71073","MoKα","","0.0657","0.0364","","","0.0746","0.0792","","","","","","0.824","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108204","9.6816","0.0004","17.8079","0.001","20.1801","0.001","73.46","0.005","76.508","0.004","84.393","0.004","3241.4","0.3","173.1","0.5","173.1","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30 F6 N P S -","- C37 H30 F6 N P S -","- C148 H120 F24 N4 P4 S4 -","4","2","","Na Zhao; Zhiyong Yang; Jacky W. Y. Lam; Herman H. Y. Sung; Ni Xie; Sijie Chen; Huimin Su; Meng Gao; Ian D. Williams; Kam Sing Wong; Ben Zhong Tang","Benzothiazolium-functionalized tetraphenylethene: an AIE luminogen with tunable solid-state emission","Chem.Commun.","2012","48","","8637","","10.1039/c2cc33780k","","x-ray","1.5418","CuKα","","0.0895","0.0751","","","0.203","0.2193","","","","","","1.035","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108205","9.7467","0.0004","17.3887","0.0008","23.849","0.001","72.962","0.004","85.952","0.003","83.053","0.004","3833.6","0.3","173","0.14","173","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C43 H42 F6 N O1.5 P S -","- C43 H34 F6 N O1.5 P S -","- C172 H136 F24 N4 O6 P4 S4 -","4","2","","Na Zhao; Zhiyong Yang; Jacky W. Y. Lam; Herman H. Y. Sung; Ni Xie; Sijie Chen; Huimin Su; Meng Gao; Ian D. Williams; Kam Sing Wong; Ben Zhong Tang","Benzothiazolium-functionalized tetraphenylethene: an AIE luminogen with tunable solid-state emission","Chem.Commun.","2012","48","","8637","","10.1039/c2cc33780k","","x-ray","1.5418","CuKα","","0.0859","0.068","","","0.1762","0.1897","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108206","9.6552","0.0004","17.4019","0.0011","23.8103","0.0011","72.469","0.005","84.653","0.004","82.064","0.004","3772.6","0.4","172.9","0.3","172.9","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38 F6 N O2 P S -","- C41 H38 F6 N O2 P S -","- C164 H152 F24 N4 O8 P4 S4 -","4","2","","Na Zhao; Zhiyong Yang; Jacky W. Y. Lam; Herman H. Y. Sung; Ni Xie; Sijie Chen; Huimin Su; Meng Gao; Ian D. Williams; Kam Sing Wong; Ben Zhong Tang","Benzothiazolium-functionalized tetraphenylethene: an AIE luminogen with tunable solid-state emission","Chem.Commun.","2012","48","","8637","","10.1039/c2cc33780k","","","1.5418","CuKα","","0.0824","0.0597","","","0.1583","0.176","","","","","","1.028","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108207","14.8559","0.0019","14.3443","0.0018","18.85","0.002","90","","109.03","0.001","90","","3797.4","0.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H41 Fe N2 P3 -","- C44 H41 Fe N2 P3 -","- C176 H164 Fe4 N8 P12 -","4","1","","Tufan K. Mukhopadhyay; Russell K. Feller; Francisca N. Rein; Neil J. Henson; Nathan C. Smythe; Ryan J. Trovitch; John C. Gordon","Investigation of formally zerovalent Triphos iron complexes","Chem.Commun.","2012","48","","8670","","10.1039/c2cc33926a","","","0.71073","MoKα","","0.0799","0.0473","","","0.1064","0.1204","","","","","","1.021","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108208","10.3077","0.0007","10.9001","0.0008","15.4955","0.0011","71.483","0.001","84.083","0.001","77.596","0.001","1611.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H74 Cl2 Fe P6 -","- C75 H66 Cl2 Fe P6 -","- C75 H66 Cl2 Fe P6 -","1","0.5","","Tufan K. Mukhopadhyay; Russell K. Feller; Francisca N. Rein; Neil J. Henson; Nathan C. Smythe; Ryan J. Trovitch; John C. Gordon","Investigation of formally zerovalent Triphos iron complexes","Chem.Commun.","2012","48","","8670","","10.1039/c2cc33926a","","","0.71073","MoKα","","0.0432","0.0346","","","0.0864","0.0927","","","","","","1.05","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108209","23.955","0.002","20.947","0.002","23.302","0.003","90","","117.653","0.002","90","","10357","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H160 N6 O7 U2 -","- C101.997 H132 N6 O7 U2 -","- C407.988 H528 N24 O28 U8 -","4","0.5","","Anna-Corina Schmidt; Alexey V. Nizovtsev; Andreas Scheurer; Frank W. Heinemann; Karsten Meyer","Uranium-Mediated Reductive Conversion of CO2 to CO and Carbonate in a Single-Vessel, Closed Synthetic Cycle","Chem.Commun.","2012","48","","8634","","10.1039/c2cc34150f","","","0.71073","MoKα","","0.12","0.0505","","","0.1284","0.1568","","","","","","1.329","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108210","16.3","0.002","21.497","0.003","25.42","0.003","90","","90","","90","","8907","2","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C96 H138 N6 O7 U2 -","- C96 H138 N6 O7 U2 -","- C384 H552 N24 O28 U8 -","4","0.5","","Anna-Corina Schmidt; Alexey V. Nizovtsev; Andreas Scheurer; Frank W. Heinemann; Karsten Meyer","Uranium-Mediated Reductive Conversion of CO2 to CO and Carbonate in a Single-Vessel, Closed Synthetic Cycle","Chem.Commun.","2012","48","","8634","","10.1039/c2cc34150f","","","0.71073","MoKα","","0.0489","0.0254","","","0.0484","0.0568","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108211","17.0385","0.0002","23.9304","0.0003","24.1626","0.0003","90","","95.986","0.001","90","","9798.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H147 N6 O9 U2 -","- C106 H147 N6 O9 U2 -","- C424 H588 N24 O36 U8 -","4","1","","Anna-Corina Schmidt; Alexey V. Nizovtsev; Andreas Scheurer; Frank W. Heinemann; Karsten Meyer","Uranium-Mediated Reductive Conversion of CO2 to CO and Carbonate in a Single-Vessel, Closed Synthetic Cycle","Chem.Commun.","2012","48","","8634","","10.1039/c2cc34150f","","","0.71073","MoKα","","0.0625","0.039","","","0.0779","0.0868","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108212","18.9925","0.0004","20.0409","0.0004","21.895","0.0004","71.285","0.001","65.118","0.001","63.811","0.001","6690","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C292 H372 K4 N12 O24 U4 -","- C292 H372 K4 N12 O24 U4 -","- C292 H372 K4 N12 O24 U4 -","1","0.5","","Anna-Corina Schmidt; Alexey V. Nizovtsev; Andreas Scheurer; Frank W. Heinemann; Karsten Meyer","Uranium-Mediated Reductive Conversion of CO2 to CO and Carbonate in a Single-Vessel, Closed Synthetic Cycle","Chem.Commun.","2012","48","","8634","","10.1039/c2cc34150f","","","0.71073","MoKα","","0.0927","0.0453","","","0.0975","0.1145","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108213","22.0041","0.0004","7.0211","0.0004","31.0684","0.0007","90","","95.8755","0.0007","90","","4774.6","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H18 F8 N11 S8 -","- C48 H18 F8 N11 S8 -","- C192 H72 F32 N44 S32 -","4","1","","Sang Chul Lee; Akira Ueda; Hiromichi Kamo; Kazuyuki Takahashi; Mikio Uruichi; Kaoru Yamamoto; Kyuya Yakushi; Akiko Nakao; Reiji Kumai; Kensuke Kobayashi; Hironori Nakao; Youichi Murakami; Hatsumi Mori","Charge-order driven proton arrangement in a hydrogen-bonded charge-transfer complex based on a pyridyl-substituted TTF derivative","Chem.Commun.","2012","48","","8673","","10.1039/c2cc34296k","","","1","synchrotron","","","0.0436","","","","0.1438","","","","","","0.967","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108214","3.971","0.003","11.487","0.009","25.411","0.019","90","","90","","90","","1159.1","1.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 N S4 -","- C11 H7 N S4 -","- C44 H28 N4 S16 -","4","1","","Sang Chul Lee; Akira Ueda; Hiromichi Kamo; Kazuyuki Takahashi; Mikio Uruichi; Kaoru Yamamoto; Kyuya Yakushi; Akiko Nakao; Reiji Kumai; Kensuke Kobayashi; Hironori Nakao; Youichi Murakami; Hatsumi Mori","Charge-order driven proton arrangement in a hydrogen-bonded charge-transfer complex based on a pyridyl-substituted TTF derivative","Chem.Commun.","2012","48","","8673","","10.1039/c2cc34296k","","","0.71075","MoKα","","","0.0609","","","","0.1072","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108215","6.801","0.004","7.939","0.005","14.424","0.008","90.83","0.03","96.2","0.03","92.08","0.02","773.6","0.8","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 B F4 N O S4 -","- C11 H8 B F4 N O S4 -","- C22 H16 B2 F8 N2 O2 S8 -","2","1","","Sang Chul Lee; Akira Ueda; Hiromichi Kamo; Kazuyuki Takahashi; Mikio Uruichi; Kaoru Yamamoto; Kyuya Yakushi; Akiko Nakao; Reiji Kumai; Kensuke Kobayashi; Hironori Nakao; Youichi Murakami; Hatsumi Mori","Charge-order driven proton arrangement in a hydrogen-bonded charge-transfer complex based on a pyridyl-substituted TTF derivative","Chem.Commun.","2012","48","","8673","","10.1039/c2cc34296k","","","0.7107","MoKα","","","0.079","","","","0.2171","","","","","","1.243","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108216","10.2839","0.0004","15.4819","0.0006","15.8271","0.0005","90","","90","","90","","2519.9","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N3 O6 -","- C27 H23 N3 O6 -","- C108 H92 N12 O24 -","4","1","","Xiao-nan Zhang; Hong-Ping Deng; Long Huang; Yin Wei; Min Shi","Phosphine-catalyzed asymmetric [4+1] annulation of Morita-Baylis-Hillman carbonates with dicyano-2-methylenebut-3-enoates","Chem.Commun.","2012","48","","8664","","10.1039/c2cc34619b","","","1.54178","CuKα","","0.0406","0.0404","","","0.1134","0.1139","","","","","","1.038","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108217","15.891","0.004","10.75","0.002","12.404","0.003","90","","106.369","0.019","90","","2033.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Au2 F12 N2 -","- C14 H10 Au2 F12 N2 -","- C56 H40 Au8 F48 N8 -","4","0.5","","David Zopes; Corinna Hegemann; Wieland Tyrra; Sanjay Mathur","[(CF3)4Au2(C5H5N)2] ‒ a new alkyl gold(II) derivative with a very short Au-Au bond","Chem.Commun.","2012","48","","8805","","10.1039/c2cc33735e","","","0.71073","MoKα","","0.0942","0.0367","","","0.0722","0.0849","","","","","","0.806","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108218","16.552","0.007","10.961","0.005","18.691","0.011","90","","111.514","0.007","90","","3155","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ca-BTC-DMA","","","- C26 H28 Ca3 N2 O16 -","- C26 H28 Ca3 N2 O16 -","- C104 H112 Ca12 N8 O64 -","4","0.5","","Arijit Mallick; Tanay Kundu; Rahul Banerjee","Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks","Chem.Commun.","2012","48","","8829","","10.1039/c2cc34006b","","","0.71073","MoKα","","0.0869","0.0742","","","0.1613","0.1651","","","","","","1.597","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108219","16.2817","0.0003","13.5141","0.0003","15.7591","0.0003","90","","93.254","0.0018","90","","3461.92","0.12","313","2","313","2","","","","","","","","5","C 1 2 1","C 2y","5","Ca-BTC-DMF-313K","","","- C29 H9 Ca3 N3 O14.98 -","- C29 H9 Ca3 N3 O14.982 -","- C116 H36 Ca12 N12 O59.928 -","4","1","","Arijit Mallick; Tanay Kundu; Rahul Banerjee","Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks","Chem.Commun.","2012","48","","8829","","10.1039/c2cc34006b","","","0.71073","MoKα","","0.0647","0.061","","","0.1671","0.1728","","","","","","1.062","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108220","15.547","0.003","13.6128","0.0019","18.981","0.004","90","","101.88","0.02","90","","3931.1","1.3","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ca-BTC-DMSO","","","- C24 H28 Ca3 O18 S4 -","- C24 H28 Ca3 O18 S4 -","- C96 H112 Ca12 O72 S16 -","4","0.5","","Arijit Mallick; Tanay Kundu; Rahul Banerjee","Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks","Chem.Commun.","2012","48","","8829","","10.1039/c2cc34006b","","","0.71073","MoKα","","0.0976","0.0809","","","0.232","0.2522","","","","","","1.139","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108221","6.8656","0.0011","9.1287","0.0016","9.9209","0.0014","101.341","0.013","99.683","0.012","111.95","0.016","545.11","0.18","348","2","348","2","","","","","","","","4","P -1","-P 1","2","Ca-BTC-H2O-348","","","- C9 H6 Ca O7 -","- C9 H6 Ca O7 -","- C18 H12 Ca2 O14 -","2","1","","Arijit Mallick; Tanay Kundu; Rahul Banerjee","Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks","Chem.Commun.","2012","48","","8829","","10.1039/c2cc34006b","","","0.71073","MoKα","","0.0502","0.041","","","0.0983","0.1072","","","","","","1.079","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108222","8.9636","0.0003","8.9636","0.0003","19.2832","0.0011","90","","90","","120","","1341.76","0.1","190","2","190","2","","","","","","","","4","R -3 :H","-R 3","148","Ca-BTC","","","- C18 H6 Ca3 O12 -","- C18 H6 Ca3 O12 -","- C54 H18 Ca9 O36 -","3","0.166667","","Arijit Mallick; Tanay Kundu; Rahul Banerjee","Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks","Chem.Commun.","2012","48","","8829","","10.1039/c2cc34006b","","","0.71073","MoKα","","0.0468","0.0375","","","0.0874","0.0953","","","","","","1.139","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7108223","41.5687","0.0002","41.5687","0.0002","41.5687","0.0002","90","","90","","90","","71828.9","0.6","100","2","100","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C180 Co6 N12 O44 Zn8 -","- C180 Co6 N12 O44 Zn8 -","- C720 Co24 N48 O176 Zn32 -","4","0.0416667","","Teng Zhang; Feijie Song; Wenbin Lin","Blocking bimolecular activation pathways leads to different regioselectivity in metal-organic framework catalysis","Chem.Commun.","2012","48","","8766","","10.1039/c2cc34033j","","","1.54178","CuKα","","0.1927","0.1222","","","0.3281","0.3434","","","","","","1.811","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108224","17.9269","0.0009","19.2699","0.001","50.45","0.003","90","","90","","90","","17427.9","1.6","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C150 Co5 N10 O41 Zn4 -","- C150 Co5 N10 O41 Zn4 -","- C300 Co10 N20 O82 Zn8 -","2","0.25","","Teng Zhang; Feijie Song; Wenbin Lin","Blocking bimolecular activation pathways leads to different regioselectivity in metal-organic framework catalysis","Chem.Commun.","2012","48","","8766","","10.1039/c2cc34033j","","","1.54178","CuKα","","0.1027","0.0839","","","0.2247","0.2389","","","","","","1.451","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108225","30.13","0.006","13.543","0.003","19.002","0.004","90","","90","","90","","7754","3","153","2","153","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","SiR-Hg","","","- C37.5 H44 Cl N5 O S Si -","- C37.5 H41 Cl N5 O S Si -","- C300 H328 Cl8 N40 O8 S8 Si8 -","8","1","","Ting Wang; Qing-Jie Zhao; Hong-Gang Hu; Shi-Chong Yu; Xiang Liu; Li Liu; Qiu-Ye Wu","Spirolactonized Si-rhodamine: a novel NIR fluorophore utilized as a platform to construct Si-rhodamine-based probes","Chem.Commun.","2012","48","","8781","","10.1039/c2cc34159j","","","0.71073","MoKα","","0.1164","0.0851","","","0.226","0.2543","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108226","12.456","0.004","16.127","0.005","20.503","0.007","90","","90","","90","","4119","2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H33 Cl N2 -","- C54.5 H33 Cl N2 -","- C218 H132 Cl4 N8 -","4","1","","Remi Chauvin; Arnaud Rives; Iaroslav Baglai; Volodymyr Malytskyi; Valerie Maraval; Nathalie Saffon; Zoia Voitenko","Highly pi electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references","Chem.Commun.","2012","48","","8763","","10.1039/c2cc34176j","","","0.71073","MoKα","","0.289","0.0792","","","0.1564","0.2387","","","","","","0.96","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108227","7.4967","0.0006","7.7637","0.0007","21.2257","0.0017","97.551","0.004","93.735","0.004","96.544","0.004","1212.66","0.18","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 N2 Si2 -","- C56 H64 N2 Si2 -","- C56 H64 N2 Si2 -","1","0.5","","Remi Chauvin; Arnaud Rives; Iaroslav Baglai; Volodymyr Malytskyi; Valerie Maraval; Nathalie Saffon; Zoia Voitenko","Highly pi electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references","Chem.Commun.","2012","48","","8763","","10.1039/c2cc34176j","","","0.71073","MoKα","","0.0686","0.0476","","","0.1143","0.1257","","","","","","1.035","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108228","9.2348","0.0009","9.3293","0.0009","15.6051","0.0016","104.252","0.005","91.728","0.004","95.653","0.004","1294.7","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H72 N2 Si2 -","- C60 H72 N2 Si2 -","- C60 H72 N2 Si2 -","1","0.5","","Remi Chauvin; Arnaud Rives; Iaroslav Baglai; Volodymyr Malytskyi; Valerie Maraval; Nathalie Saffon; Zoia Voitenko","Highly pi electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references","Chem.Commun.","2012","48","","8763","","10.1039/c2cc34176j","","","0.71073","MoKα","","0.064","0.0448","","","0.1097","0.1214","","","","","","1.032","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108229","17.8042","0.0002","17.8042","0.0002","47.6257","0.0012","90","","90","","120","","13074.3","0.4","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C67 H75 I N6 S6 -","- C67 H78 I N6 S6 -","- C402 H468 I6 N36 S36 -","6","0.166667","","Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo","Selective encapsulation of volatile and reactive methyl iodide","Chem.Commun.","2012","48","","8844","","10.1039/c2cc34346k","","","0.71073","MoKα","","0.1222","0.0744","","","0.2291","0.2543","","","","","","0.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108230","11.274","0.005","11.548","0.006","11.946","0.006","95.33","0.03","93.62","0.04","99.07","0.04","1524.4","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 Cl2 N3 -","- C34 H41 Cl2 N3 -","- C68 H82 Cl4 N6 -","2","1","","Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo","Selective encapsulation of volatile and reactive methyl iodide","Chem.Commun.","2012","48","","8844","","10.1039/c2cc34346k","","","0.71073","MoKα","","0.2082","0.0686","","","0.1549","0.232","","","","","","0.84","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108231","9.8069","0.0012","20.416","0.002","10.8597","0.0011","90","","100.45","0.005","90","","2138.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H42 F9 N3 O9 S3 -","- C36 H42 F9 N3 O9 S3 -","- C72 H84 F18 N6 O18 S6 -","2","0.5","","Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo","Selective encapsulation of volatile and reactive methyl iodide","Chem.Commun.","2012","48","","8844","","10.1039/c2cc34346k","","","0.71073","MoKα","","0.0598","0.0439","","","0.1285","0.1438","","","","","","0.901","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108232","10.014","0.007","10.358","0.008","18.774","0.012","86.51","0.03","88.14","0.03","81.26","0.03","1921","2","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 I3 N3 -","- C36 H48 I3 N3 -","- C72 H96 I6 N6 -","2","1","","Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo","Selective encapsulation of volatile and reactive methyl iodide","Chem.Commun.","2012","48","","8844","","10.1039/c2cc34346k","","","0.71073","MoKα","","0.2652","0.0639","","","0.1489","0.21","","","","","","0.892","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108233","9.2214","0.0004","9.2214","0.0004","46.482","0.002","90","","90","","90","","3952.6","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","foldamers","","","- C17 H24 N2 O5 S -","- C17 H22.8 N2 O5 S -","- C136 H182.4 N16 O40 S8 -","8","1","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0547","0.0454","","","0.1193","0.1275","","","","","","1.047","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108234","7.894","0.0007","10.947","0.0009","19.78","0.0016","90","","90","","90","","1709.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C15 H20 N2 O5 S -","- C15 H20 N2 O5 S -","- C60 H80 N8 O20 S4 -","4","1","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0539","0.0436","","","0.0826","0.0859","","","","","","0.94","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108235","11.077","0.001","16.02","0.002","17.325","0.002","90","","90","","90","","3074.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C27 H34 N4 O7 S2 -","- C27 H34 N4 O7 S2 -","- C108 H136 N16 O28 S8 -","4","1","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0715","0.0586","","","0.1467","0.1546","","","","","","1.053","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108236","7.3385","0.0004","38.88","0.002","9.7776","0.0006","90","","94.613","0.001","90","","2780.7","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","foldamers","","","- C26 H32 N4 O6 S2 -","- C26 H32 N4 O6 S2 -","- C104 H128 N16 O24 S8 -","4","2","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0541","0.0424","","","0.0961","0.1021","","","","","","1.034","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108237","9.3121","0.0009","17.991","0.002","18.154","0.002","90","","90","","90","","3041.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C29 H39 N5 O5 S2 -","- C29 H38.4 N5 O5 S2 -","- C116 H153.6 N20 O20 S8 -","4","1","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0371","0.0317","","","0.0766","0.0802","","","","","","0.97","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108238","13.2003","0.001","11.6716","0.0009","7.281","0.0006","90","","91.843","0.001","90","","1121.19","0.15","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 2-(5-bromoisobenzofuran-1(3H)-ylidene)acetate","","- C12 H11 Br O3 -","- C11.999 H10.998 Br O3 -","- C47.996 H43.992 Br4 O12 -","4","1","","Hikaru Yanai; Takeo Taguchi","Organic acid induced olefination reaction of lactones","Chem.Commun.","2012","48","","8967","","10.1039/c2cc33606e","","","0.71073","MoKα","","0.0258","0.0217","","","0.0507","0.052","","","","","","1.042","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108239","19.733","0.005","12.199","0.003","7.4044","0.0017","90","","100.236","0.003","90","","1754","0.7","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 2-(7-((trimethylsilyl)ethynyl)isochroman-1-ylidene)acetate","","- C18 H22 O3 Si -","- C18 H22 O3 Si -","- C72 H88 O12 Si4 -","4","1","","Hikaru Yanai; Takeo Taguchi","Organic acid induced olefination reaction of lactones","Chem.Commun.","2012","48","","8967","","10.1039/c2cc33606e","","","0.71073","MoKα","","0.0432","0.0375","","","0.0921","0.0959","","","","","","1.025","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108240","7.7341","0.0004","8.49","0.0005","20.9282","0.0011","90","","90","","90","","1374.2","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Wanfang Li; Weizheng Fan; Xin Ma; Xiaoming Tao; Xiaoming Li; Xiaomin Xie; Zhaoguo Zhang","Ru-catalyzed hydrogenation of 3,5-diketo amides: simultaneous control of chemo- and enantioselectivity","Chemical Communications","2012","48","","8976","","10.1039/c2cc33695b","","","1.54178","CuKα","","0.0411","0.0406","","","0.1142","0.115","","","","","","1.062","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108241","8.8415","0.0008","11.6778","0.0011","11.996","0.0011","104.113","0.001","110.686","0.001","103.033","0.001","1055.38","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H29 B F2 N2 O S -","- C21 H29 B F2 N2 O S -","- C42 H58 B2 F4 N4 O2 S2 -","2","1","","Min Zhang; Yangchun Wu; Shengzhou Zhang; Hongnian Zhu; Qiong Wu; Lijuan Jiao; Erhong Hao","A nitroolefin functionalized BODIPY chemodosimeter for biothiols driven by an unexpected conjugated addition mechanism","Chem.Commun.","2012","48","","8925","","10.1039/c2cc33749e","","","0.71073","MoKα","","0.0702","0.0492","","","0.1391","0.1553","","","","","","1.044","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108242","6.8928","0.0006","9.1948","0.0008","20.413","0.001","96.347","0.006","95.242","0.007","100.897","0.008","1254.24","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H19 N3 S -","- C32 H19 N3 S -","- C64 H38 N6 S2 -","2","1","","Antoine Leliege; Charles-Henri Le Regent; Magali Allain; Philippe Blanchard; Jean Roncali","Structural modulation of internal charge transfer in small molecular donors for organic solar cells","Chem.Commun.","2012","48","71","8907","8909","10.1039/c2cc33921h","","x-ray","0.71073","MoKα","","","0.0617","","","","0.1183","","","","","","1.117","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108243","20.628","0.001","16.0821","0.0007","35.467","0.001","90","","93.754","0.003","90","","11740.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H51.38 O15.19 P5 -","- C80 H51.192 O15.192 P5 -","- C640 H409.536 O121.536 P40 -","8","2","","Anastasiya A. Yurkova; Ekaterina A. Khakina; Sergey I. Troyanov; Alexander Chernyak; Lyubov Shmygleva; Alexander S. Peregudov; Vyacheslav M. Martynenko; Yury A. Dobrovolskiy; Pavel A. Troshin","Arbuzov chemistry with chlorofullerene C60Cl6: a powerful method for selective synthesis of highly functionalized [60]fullerene derivatives","Chem.Commun.","2012","48","","8916","","10.1039/c2cc34338j","","","0.83774","synchrotron","","0.112","0.088","","","0.2035","0.2231","","","","","","1.05","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108244","34.6925","0.0007","16.6027","0.0004","13.7633","0.0003","90","","105.303","0.001","90","","7646.4","0.3","228","2","228","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MTAF-3","","","- C66 H56 N12 O19 Zn4 -","- C66 H56 N12 O19 Zn4 -","- C264 H224 N48 O76 Zn16 -","4","0.5","","Wen-Yang Gao; Wuming Yan; Rong Cai; Kia Williams; Andrea Salas; Lukasz Wojtas; Xiaodong Shi; Shengqian Ma","A pillared metal-organic framework incorporated with 1,2,3-triazole moieties exhibiting remarkable enhancement of CO2 uptake","Chem.Commun.","2012","48","","8898","","10.1039/c2cc34380k","","","1.54178","CuKα","","0.0487","0.0416","","","0.1129","0.1176","","","","","","1.021","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108245","18.633","0.006","17.515","0.005","25.292","0.008","90","","90","","90","","8254","4","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H44 Co O -","- C56 H44 Co O -","- C448 H352 Co8 O8 -","8","1","","Benjamin M. Gridley; Alexander J. Blake; Adrienne L. Davis; William Lewis; Graeme J. Moxey; Deborah L. Kays","Low-coordinate cobalt(II) terphenyl complexes: precursors to sterically encumbered ketones","Chem.Commun.","2012","48","","8910","","10.1039/c2cc34525k","","","0.71073","MoKα","","0.0956","0.0627","","","0.128","0.141","","","","","","1.05","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108246","13.933","0.003","18.322","0.004","19.888","0.004","90","","104.637","0.004","90","","4912.2","1.8","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H54 O3 -","- C61 H54 O3 -","- C244 H216 O12 -","4","1","","Benjamin M. Gridley; Alexander J. Blake; Adrienne L. Davis; William Lewis; Graeme J. Moxey; Deborah L. Kays","Low-coordinate cobalt(II) terphenyl complexes: precursors to sterically encumbered ketones","Chem.Commun.","2012","48","","8910","","10.1039/c2cc34525k","","","0.71073","MoKα","","0.168","0.107","","","0.24","0.273","","","","","","1.13","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108247","12.8018","0.0009","13.2388","0.0009","13.6583","0.001","84.232","0.001","76.587","0.001","80.784","0.001","2217.8","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C54.5 H60.5 O2 -","- C50 H50 O2 -","- C100 H100 O4 -","2","1","","Benjamin M. Gridley; Alexander J. Blake; Adrienne L. Davis; William Lewis; Graeme J. Moxey; Deborah L. Kays","Low-coordinate cobalt(II) terphenyl complexes: precursors to sterically encumbered ketones","Chem.Commun.","2012","48","","8910","","10.1039/c2cc34525k","","","0.71073","MoKα","","0.09","0.0676","","","0.168","0.179","","","","","","1.07","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108248","31.177","0.014","9.345","0.004","8.033","0.004","90","","90","","90","","2340.4","1.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H28 N2 O5 S -","- C25 H28 N2 O5 S -","- C100 H112 N8 O20 S4 -","4","1","","Shaoyu Li; Jie Wu","A copper(I)-catalyzed reaction of 2-(2-ethynylphenyl)oxirane, sulfonyl azide, with 2-isocyanoacetate","Chem.Commun.","2012","48","","8973","","10.1039/c2cc34591a","","","0.71073","MoKα","","0.0528","0.0436","","","0.1042","0.1094","","","","","","1.044","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108249","16","0.016","7.953","0.008","16.368","0.017","90","","116.951","0.012","90","","1857","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Shaoyu Li; Jie Wu","A copper(I)-catalyzed reaction of 2-(2-ethynylphenyl)oxirane, sulfonyl azide, with 2-isocyanoacetate","Chem.Commun.","2012","48","","8973","","10.1039/c2cc34591a","","","0.71073","MoKα","","0.0879","0.0755","","","0.1763","0.1899","","","","","","1.057","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108250","15.3269","0.0008","27.9952","0.0013","18.0851","0.0008","90","","91.497","0.001","90","","7757.3","0.6","191","2","191","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C136 H154 Dy6 N40 O40 S2 -","- C136 H150 Dy6 N40 O40 S2 -","- C272 H300 Dy12 N80 O80 S4 -","2","0.5","","Shufang Xue; Lang Zhao; Yun-Nan Guo; Peng Zhang; Jinkui Tang","The use of a versatile o-vanilloyl hydrazone ligand to prepare SMM-like Dy3 molecular cluster pair","Chem.Commun.","2012","48","","8946","","10.1039/c2cc34737g","","","0.71073","MoKα","","0.095","0.0577","","","0.1353","0.1595","","","","","","1.109","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108251","10.064","0.002","8.9812","0.0018","28.804","0.006","90","","97.8","0.03","90","","2579.4","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 N4 O2 S -","- C34 H20 N4 O2 S -","- C136 H80 N16 O8 S4 -","4","1","","Songhua Chen; Nan Chen; Yongli Yan; Taifeng Liu; Yanwen Yu; Yongjun Li; Huibiao Liu; Yong Sheng Zhao; Yuliang Li","Controlling growth of molecular crystal aggregates for efficient optical waveguides","Chem.Commun.","2012","48","","9011","","10.1039/c2cc32501b","","","0.71073","MoKα","","0.1291","0.0991","","","0.1746","0.1908","","","","","","1.143","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108252","9.0702","0.0018","39.586","0.008","7.4369","0.0015","90","","106.217","0.003","90","","2564","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N3 S -","- C34 H21 N3 S -","- C136 H84 N12 S4 -","4","1","","Songhua Chen; Nan Chen; Yongli Yan; Taifeng Liu; Yanwen Yu; Yongjun Li; Huibiao Liu; Yong Sheng Zhao; Yuliang Li","Controlling growth of molecular crystal aggregates for efficient optical waveguides","Chem.Commun.","2012","48","","9011","","10.1039/c2cc32501b","","","0.71073","MoKα","","0.0862","0.0746","","","0.1445","0.1501","","","","","","1.199","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108253","12.3827","0.0005","6.2563","0.0003","16.7955","0.0012","90","","92.199","0.009","90","","1300.19","0.12","150","0.2","150","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H38 O6 S Si -","- C24 H38 O6 S Si -","- C48 H76 O12 S2 Si2 -","2","1","","Vikas Sikervar; James C. Fleet; Philip Fuchs","A general approach to the synthesis of enantiopure 19-nor-Vitamin D3 and its C-2 phosphate analogs prepared from cyclohexadienyl sulfone","Chem.Commun.","2012","48","","9077","","10.1039/c2cc33054g","","","1.54184","CU-Kα","","0.073","0.068","","","0.173","0.178","","","","","","1.093","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7108254","3.6912","0.0002","6.4038","0.0003","26.3062","0.0015","90","","92.908","0.005","90","","621.02","0.06","120","2","120","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","2,4-difluorobenzoic acid","2,4-difluorobenzoic acid","","- C7 H3 F2 O2 -","- C7 H3 F2 O2 -","- C28 H12 F8 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","","0.7107","MoKα","","0.0502","0.0459","","","0.1114","0.114","","","","","","1.184","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108255","3.696","0.0005","14.768","0.002","11.9174","0.0016","90","","93.025","0.007","90","","649.58","0.15","150","","150","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 F2 O2 -","- C7 H2 F2 O2 -","- C28 H8 F8 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.0541","0.0427","","","0.1194","0.1261","","","","","","1.08","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108256","5.5154","0.0012","5.0528","0.0011","23.144","0.005","90","","94.792","0.007","90","","642.7","0.2","150","","150","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 F2 O2 -","- C7 H3 F2 O2 -","- C28 H12 F8 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.0789","0.0493","","","0.1123","0.127","","","","","","1.04","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108257","5.112","0.005","5.193","0.005","24.39","0.02","90","","95.477","0.011","90","","644.5","1","150","","150","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 F3 O2 -","- C7 H3 F3 O2 -","- C28 H12 F12 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.0484","0.0409","","","0.1129","0.133","","","","","","1.138","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108258","3.6704","0.0009","15.516","0.004","11.882","0.003","90","","93.734","0.007","90","","675.2","0.3","150","","150","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 F3 O2 -","- C7 H2 F3 O2 -","- C28 H8 F12 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.0914","0.0518","","","0.1132","0.1296","","","","","","1.041","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108259","6.9301","0.0011","13.517","0.002","7.0809","0.0012","90","","94.132","0.007","90","","661.57","0.18","150","","150","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 F3 O2 -","- C7 H2 F3 O2 -","- C28 H8 F12 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.0661","0.0477","","","0.12","0.1326","","","","","","1.061","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108260","7.1042","0.0007","7.1852","0.0007","12.8037","0.0013","90","","102.453","0.007","90","","638.19","0.11","150","","150","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 F3 O2 -","- C7 H3 F3 O2 -","- C28 H12 F12 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.043","0.0341","","","0.0862","0.0906","","","","","","1.042","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108261","5.119","0.0014","6.4295","0.0017","20.343","0.006","90","","95.574","0.007","90","","666.4","0.3","150","","150","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 F3 O2 -","- C7 H3 F3 O2 -","- C28 H12 F12 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.1015","0.0596","","","0.1424","0.1612","","","","","","1.062","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108262","6.5824","0.0009","8.3582","0.0011","12.7456","0.0017","105.719","0.007","91.945","0.007","98.065","0.007","666.42","0.16","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","","","- C7 H3 F3 O2 -","- C7 H3 F3 O2 -","- C28 H12 F12 O8 -","4","2","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.06","0.0413","","","0.1019","0.1097","","","","","","1.068","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108263","4.735","0.0006","5.97","0.0007","24.651","0.003","84.773","0.006","87.02","0.006","82.885","0.006","688.01","0.15","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","","","- C14 H3 F8 O4 -","- C14 H3 F8 O4 -","- C28 H6 F16 O8 -","2","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.0605","0.0442","","","0.1089","0.118","","","","","","1.038","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108264","5.0609","0.001","5.3645","0.0011","22.703","0.005","90","","95.007","0.007","90","","614","0.2","150","","150","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F O2 -","- C7 H4 F O2 -","- C28 H16 F4 O8 -","4","1","","Ritesh Dubey; Mysore S. Pavan; Gautam R. Desiraju","Structural landscape of benzoic acid: using experimental crystal structures of fluorobenzoic acids as a probe","Chem.Commun.","2012","48","","9020","","10.1039/c2cc33811d","","x-ray","0.71073","MoKα","","0.0721","0.055","","","0.1352","0.1441","","","","","","1.082","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108265","22.027","0.003","23.021","0.003","22.557","0.002","90","","113.134","0.003","90","","10519","2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H49 N6 O7.5 Tb2 -","- C62 H49 N6 O7.5 Tb2 -","- C496 H392 N48 O60 Tb16 -","8","2","","Gurvan Magadur; Fatima Bouanis; Evgeny Norman; Regis Guillot; Jean-Sebastien Lauret; Vincent Huc; Costel-Sorin Cojocaru; Talal Mallah","Electrical-field-induced structural change and charge transfer of lanthanide-salophen complexes assembled on carbon nanotube field effect transistor devices","Chem.Commun.","2012","48","","9071","","10.1039/c2cc34134d","","x-ray","0.71073","MoKα","","0.1122","0.069","","","0.1581","0.1832","","","","","","1.095","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108266","21.5759","0.0008","21.5759","0.0008","9.3544","0.0006","90","","90","","120","","3771.2","0.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H13 N2 O2 -","- C6 H13 N2 O2 -","- C108 H234 N36 O36 -","18","1","","Xiaoju Li; Xiahong Xu; Daqiang Yuan; Xiulan Weng","Hexagonal prismatic dodecameric water cluster: a building unit of the five-fold interpenetrating six-connected supramolecular network","Chem.Commun.","2012","48","","9014","","10.1039/c2cc34412b","","","0.71073","MoKα","","0.0653","0.0504","","","0.1421","0.1511","","","","","","1.104","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108267","26.631","0.005","7.6331","0.0015","6.812","0.0014","90","","90","","90","","1384.7","0.5","153","2","153","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H32 Co4 N5 O20 P5 -","- C5 H30.08 Co4 N5 O20 P5 -","- C10 H60.16 Co8 N10 O40 P10 -","2","0.125","","Bryan Yonemoto; Zhuo-jia Lin; Feng Jiao","A general synthetic method for MPO4 (M = Co, Fe, Mn) frameworks using deep-eutectic solvents","Chem.Commun.","2012","48","","9132","","10.1039/c2cc34020h","","","0.71073","MoKα","","0.0548","0.0402","","","0.1076","0.1159","","","","","","1.085","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108268","13.361","0.007","13.789","0.007","14.017","0.007","90","","90","","90","","2582","2","200","2","200","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C4 H28 Co5 N5 O20 P5 -","- C4 H28 Co5 N5 O20 P5 -","- C16 H112 Co20 N20 O80 P20 -","4","1","","Bryan Yonemoto; Zhuo-jia Lin; Feng Jiao","A general synthetic method for MPO4 (M = Co, Fe, Mn) frameworks using deep-eutectic solvents","Chem.Commun.","2012","48","","9132","","10.1039/c2cc34020h","","","0.71073","MoKα","","0.0807","0.0693","","","0.1673","0.1748","","","","","","1.053","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108269","9.88","0.002","9.88","0.002","13.333","0.003","90","","90","","90","","1301.5","0.5","200","2","200","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C9 H44 Co10 N10 O40 P10 -","- C9.08 H44.48 Co10 N10.08 O40 P10 -","- C9.08 H44.48 Co10 N10.08 O40 P10 -","1","0.125","","Bryan Yonemoto; Zhuo-jia Lin; Feng Jiao","A general synthetic method for MPO4 (M = Co, Fe, Mn) frameworks using deep-eutectic solvents","Chem.Commun.","2012","48","","9132","","10.1039/c2cc34020h","","","0.71073","MoKα","","0.0377","0.0376","","","0.1069","0.107","","","","","","1.09","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108270","9.9316","0.0008","8.1197","0.0007","14.0243","0.0012","90","","92.344","0.002","90","","1130","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N O4 S2 -","- C23 H20 Br N O4 S2 -","- C46 H40 Br2 N2 O8 S4 -","2","1","","Wenbin Wu; Huicai Huang; Xiaoqian Yuan; Kailong Zhu; Jinxing Ye","Asymmetric construction of spirocyclohexanonerhodanines catalyzed by simple diamine derived from chiral tert-leucine","Chem.Commun.","2012","48","","9180","","10.1039/c2cc34321e","","","0.71073","MoKα","","0.0404","0.035","","","0.0843","0.0867","","","","","","0.982","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108271","13.5802","0.0006","13.7732","0.0006","26.2234","0.0011","87.017","0.003","81.927","0.003","60.811","0.002","4238.9","0.3","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H86 F24 N12 O10 P4 -","- C74 H86 F24 N12 O10 P4 -","- C148 H172 F48 N24 O20 P8 -","2","1","","Albert C. Fahrenbach; Karel J. Hartlieb; Chi-Hau Sue; Carson J. Bruns; Gokhan Barin; Subhadeep Basu; Mark A. Olson; Youssry Y. Botros; Abdulaziz Bagabas; Nezar H. Khdary; J. Fraser Stoddart","Rapid thermally assisted donor-acceptor catenation","Chem.Commun.","2012","48","","9141","","10.1039/c2cc34427k","","","0.71073","MoKα","","0.2288","0.1198","","","0.343","0.4082","","","","","","1.206","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108272","13.6925","0.0004","14.1263","0.0004","28.1027","0.0009","96.491","0.002","103.206","0.002","107.826","0.002","4938.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H78 F24 N10 O10 P4 S4 -","- C76 H78 F24 N10 O10 P4 S4 -","- C152 H156 F48 N20 O20 P8 S8 -","2","1","","Albert C. Fahrenbach; Karel J. Hartlieb; Chi-Hau Sue; Carson J. Bruns; Gokhan Barin; Subhadeep Basu; Mark A. Olson; Youssry Y. Botros; Abdulaziz Bagabas; Nezar H. Khdary; J. Fraser Stoddart","Rapid thermally assisted donor-acceptor catenation","Chem.Commun.","2012","48","","9141","","10.1039/c2cc34427k","","","1.54178","CuKα","","0.1759","0.1181","","","0.3394","0.3743","","","","","","1.145","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108273","13.289","0.003","16.467","0.003","13.711","0.003","90","","117.02","0.03","90","","2672.9","1.2","95","2","95","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 N4 O14 Zn2 -","- C56 H46 N4 O14 Zn2 -","- C112 H92 N8 O28 Zn4 -","2","0.5","","Dae Ho Hong; Myunghyun Paik Suh","Selective CO2 adsorption in a metal-organic framework constructed from an organic ligand with flexible joints","Chem.Commun.","2012","48","","9168","","10.1039/c2cc34482c","","x-ray","0.65","synchrotron","","0.0527","0.0459","","","0.149","0.1537","","","","","","1.065","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108274","11.542","0.01","14.112","0.011","10.758","0.011","90","","94.6","0.11","90","","1747","3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N5 O3 -","- C17 H21 N5 O3 -","- C68 H84 N20 O12 -","4","1","","Maria Moron; Carolina Burgos; Julio Alvarez-Builla; Antonio Salgado; Marta E. G. Mosquera; Juan J. Vaquero","A cascade reaction of azolopyrimidines. Synthesis of unusual indole and azaindole derivatives","Chem.Commun.","2012","48","","9171","","10.1039/c2cc34539k","","","0.71073","MoKα","","0.1448","0.0776","","","0.1853","0.233","","","","","","1.038","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108275","6.878","0.005","7.761","0.005","9.79","0.006","73.126","0.007","80.176","0.007","72.901","0.005","475.9","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 F4 N S -","- C6 H15 F4 N S -","- C12 H30 F8 N2 S2 -","2","1","","James T. Goettel; Praveen Chaudhary; Paul Hazendonk; Helene P. A. Mercier; Michael Gerken","SF4*N(C2H5)3: the first conclusively characterized SF4 adduct with an organic base","Chem.Commun.","2012","48","","9120","","10.1039/c2cc34578a","","","0.71073","MoKα","","0.0593","0.0374","","","0.0814","0.0882","","","","","","1.017","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108276","11.6191","0.0011","14.5312","0.0014","17.022","0.0016","90","","90","","90","","2874","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 F3 N2 O3 S -","- C29 H33 F3 N2 O3 S -","- C116 H132 F12 N8 O12 S4 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.1654","0.0858","","","0.228","0.2978","","","","","","1.031","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108277","11.5154","0.0005","14.5123","0.0006","17.4192","0.0007","90","","90","","90","","2911","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 F3 N2 O3 S -","- C30 H35 F3 N2 O3 S -","- C120 H140 F12 N8 O12 S4 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.1271","0.0797","","","0.2218","0.2624","","","","","","1.037","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108278","16.6967","0.0011","18.366","0.0012","18.5592","0.0012","90","","90","","90","","5691.2","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H33 F3 N2 O3 S -","- C29 H33 F3 N2 O3 S -","- C232 H264 F24 N16 O24 S8 -","8","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.086","0.0521","","","0.1317","0.1532","","","","","","1.023","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108279","10.0291","0.001","15.1285","0.0015","15.5536","0.0015","90","","90","","90","","2359.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N2 S2 -","- C27 H28 N2 S2 -","- C108 H112 N8 S8 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.0347","0.0303","","","0.0804","0.0835","","","","","","1.034","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108280","10.433","0.004","17.32","0.007","19.236","0.008","66.656","0.005","84.785","0.005","88.956","0.005","3178","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 F3 N2 O3 S -","- C34 H35 F3 N2 O3 S -","- C136 H140 F12 N8 O12 S4 -","4","2","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.0945","0.0694","","","0.2017","0.2275","","","","","","1.042","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108281","9.301","0.004","16.385","0.008","20.954","0.01","90","","101.758","0.007","90","","3126","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 F3 N2 O3 S -","- C34 H35 F3 N2 O3 S -","- C136 H140 F12 N8 O12 S4 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.1247","0.0591","","","0.1237","0.1472","","","","","","0.908","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108282","24.597","0.000042","24.597","0.000042","24.597","0.000042","90","","90","","90","","14881.5","0.04","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag71.89 Al96 O466.81 Si96 -","- Ag71.8912 Al96 O466.814 Si96 -","- Ag71.8912 Al96 O466.814 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108283","24.59162","0.000046","24.59162","0.000046","24.59162","0.000046","90","","90","","90","","14871.7","0.05","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A?","- Ag71.568 Al96 O469.91 Si96 -","- Ag71.568 Al96 O469.909 Si96 -","- Ag71.568 Al96 O469.909 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108284","24.59018","0.000047","24.59018","0.000047","24.59018","0.000047","90","","90","","90","","14869.1","0.05","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag71.14 Al96 O464.45 Si96 -","- Ag71.1392 Al96 O463.667 Si96 -","- Ag71.1392 Al96 O463.667 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108285","24.59343","0.000048","24.59343","0.000048","24.59343","0.000048","90","","90","","90","","14875","0.05","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag69.76 Al96 O471.42 Si96 -","- Ag69.7632 Al96 O470.454 Si96 -","- Ag69.7632 Al96 O470.454 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108286","24.59947","0.000053","24.59947","0.000053","24.59947","0.000053","90","","90","","90","","14886","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag69.45 Al96 O473.69 Si96 -","- Ag69.4464 Al96 O472.29 Si96 -","- Ag69.4464 Al96 O472.29 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108287","24.59619","0.000057","24.59619","0.000057","24.59619","0.000057","90","","90","","90","","14880","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag68.05 Al96 O476.24 Si96 -","- Ag68.048 Al96 O474.814 Si96 -","- Ag68.048 Al96 O474.814 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108288","24.58547","0.000057","24.58547","0.000057","24.58547","0.000057","90","","90","","90","","14860.6","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag67.94 Al96 O477.46 Si96 -","- Ag67.936 Al96 O477.456 Si96 -","- Ag67.936 Al96 O477.456 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108289","24.57701","0.000057","24.57701","0.000057","24.57701","0.000057","90","","90","","90","","14845.2","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag67.63 Al96 O474.72 Si96 -","- Ag67.6288 Al96 O473.386 Si96 -","- Ag67.6288 Al96 O473.386 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108290","24.57044","0.000056","24.57044","0.000056","24.57044","0.000056","90","","90","","90","","14833.3","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag68.26 Al96 O476.17 Si96 -","- Ag68.2592 Al96 O474.642 Si96 -","- Ag68.2592 Al96 O474.642 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108291","24.56457","0.000056","24.56457","0.000056","24.56457","0.000056","90","","90","","90","","14822.7","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag67.88 Al96 O474.92 Si96 -","- Ag67.8752 Al96 O473.633 Si96 -","- Ag67.8752 Al96 O473.633 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108292","24.5592","0.000057","24.5592","0.000057","24.5592","0.000057","90","","90","","90","","14813","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","Ag_zeolite_A","- Ag68.03 Al96 O472.88 Si96 -","- Ag68.032 Al96 O471.645 Si96 -","- Ag68.032 Al96 O471.645 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108293","24.66358","0.000069","24.66358","0.000069","24.66358","0.000069","90","","90","","90","","15002.7","0.07","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag88.734 Al96 O384 Si96 -","- Ag88.7344 Al96 O384 Si96 -","- Ag88.7344 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108294","24.67046","0.00006","24.67046","0.00006","24.67046","0.00006","90","","90","","90","","15015.2","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag88.445 Al96 O384 Si96 -","- Ag88.4448 Al96 O384 Si96 -","- Ag88.4448 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108295","24.67394","0.00006","24.67394","0.00006","24.67394","0.00006","90","","90","","90","","15021.6","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.934 Al96 O384 Si96 -","- Ag87.9344 Al96 O384 Si96 -","- Ag87.9344 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108296","24.67524","0.000059","24.67524","0.000059","24.67524","0.000059","90","","90","","90","","15024","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.704 Al96 O384 Si96 -","- Ag87.704 Al96 O384 Si96 -","- Ag87.704 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108297","24.67623","0.000057","24.67623","0.000057","24.67623","0.000057","90","","90","","90","","15025.8","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag88.174 Al96 O384 Si96 -","- Ag88.1744 Al96 O384 Si96 -","- Ag88.1744 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108298","24.67687","0.000063","24.67687","0.000063","24.67687","0.000063","90","","90","","90","","15026.9","0.07","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag86.99 Al96 O384 Si96 -","- Ag86.9904 Al96 O384 Si96 -","- Ag86.9904 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108299","24.67781","0.000063","24.67781","0.000063","24.67781","0.000063","90","","90","","90","","15028.7","0.07","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.11 Al96 O384 Si96 -","- Ag87.9808 Al96 O384 Si96 -","- Ag87.9808 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108300","24.67885","0.000061","24.67885","0.000061","24.67885","0.000061","90","","90","","90","","15030.5","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.11 Al96 O384 Si96 -","- Ag87.1104 Al96 O384 Si96 -","- Ag87.1104 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108301","24.67956","0.000058","24.67956","0.000058","24.67956","0.000058","90","","90","","90","","15031.8","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.674 Al96 O384 Si96 -","- Ag87.6736 Al96 O384 Si96 -","- Ag87.6736 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108302","24.67992","0.000062","24.67992","0.000062","24.67992","0.000062","90","","90","","90","","15032.5","0.07","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.498 Al96 O384 Si96 -","- Ag87.4976 Al96 O384 Si96 -","- Ag87.4976 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108303","24.68011","0.000058","24.68011","0.000058","24.68011","0.000058","90","","90","","90","","15032.8","0.06","","","","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","dehydrated_AgA","- Ag87.048 Al96 O384 Si96 -","- Ag87.048 Al96 O384 Si96 -","- Ag87.048 Al96 O384 Si96 -","1","0.00520833","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","288269","2023-12-12","22:08:21",""
"7108304","11.85317","","11.85317","","11.85317","","90","","90","","90","","1665.34","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108305","11.85352","","11.85352","","11.85352","","90","","90","","90","","1665.49","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108306","11.85502","0.00012","11.85502","0.00012","11.85502","0.00012","90","","90","","90","","1666.12","0.03","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108307","11.85722","0.00012","11.85722","0.00012","11.85722","0.00012","90","","90","","90","","1667.05","0.03","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108308","11.85799","0.00012","11.85799","0.00012","11.85799","0.00012","90","","90","","90","","1667.37","0.03","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108309","11.86027","0.00013","11.86027","0.00013","11.86027","0.00013","90","","90","","90","","1668.34","0.03","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108310","11.86017","0.00015","11.86017","0.00015","11.86017","0.00015","90","","90","","90","","1668.29","0.04","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108311","11.86345","0.00014","11.86345","0.00014","11.86345","0.00014","90","","90","","90","","1669.68","0.03","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108312","11.86608","0.00017","11.86608","0.00017","11.86608","0.00017","90","","90","","90","","1670.79","0.04","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108313","11.86965","0.00032","11.86965","0.00032","11.86965","0.00032","90","","90","","90","","1672.3","0.08","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108314","11.8725","0.00029","11.8725","0.00029","11.8725","0.00029","90","","90","","90","","1673.5","0.07","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","ITQ-29","","","- O48 Si24 -","- O48 Si24 -","- O48 Si24 -","1","0.0208333","","Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson","The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology","Chem.Commun.","2012","48","","5829","","10.1039/c2cc30582h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108315","30.9426","0.0005","30.9426","0.0005","35.5088","0.0013","90","","90","","120","","29442.9","1.3","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C116 H128 Cl6 Gd6 N48 O66 -","- C115.99 H78 Cl6 Gd6 N48 O66 -","- C695.94 H468 Cl36 Gd36 N288 O396 -","6","0.333333","","Cheng He; Xiao Wu; Jichuan Kong; Tao liu; Xiaolin Zhang; Chunying Duan","A hexanuclear gadolinium-organic octahedron as a sensitive MRI contrast agent for selectively imaging glucosamine in aqueous media","Chem.Commun.","2012","48","","9290","","10.1039/c2cc33177b","","","0.71073","MoKα","","0.2465","0.0795","","","0.1853","0.2091","","","","","","1.028","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108316","18.171","0.004","27.492","0.006","27.062","0.005","90","","91.63","0.03","90","","13514","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C88 H184 Br16 Gd N5 O18 Re4 -","- C88 H180 Br16 Gd N5 O18 Re4 -","- C352 H720 Br64 Gd4 N20 O72 Re16 -","4","1","","Jose Martinez-Lillo; Laura Canadillas-Delgado; Joan Cano; Francesc Lloret; Miguel Julve; J.Faus","A heteropentanuclear oxalato-bridged [ReIV4GdIII] complex: synthesis, crystal structure and magnetic properties Attachment c.- Revised_CIF","Chem.Commun.","2012","48","","9242","","10.1039/c2cc33350c","","x-ray","0.738","synchrotron","","0.0702","0.0649","","","0.1719","0.1785","","","","","","1.028","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108317","13.9148","0.0006","16.0786","0.0008","21.8368","0.0011","93.109","0.004","104.124","0.003","90.629","0.003","4729.4","0.4","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C140 H152 F48 N8 O20 P8 S8 -","- C140 H152 F48 N8 O20 P8 S8 -","- C140 H152 F48 N8 O20 P8 S8 -","1","0.5","","Cheng Wang; Dennis Cao; Albert Fahrenbach; Sergio Grunder; Sanjeev Dey; Amy Sarjeant; J.Stoddart","The effects of conformation on the noncovalent bonding interactions in a bistable donor-acceptor [3]catenane","Chem.Commun.","2012","48","","9245","","10.1039/c2cc34190e","","","1.54184","CuKα","","0.2774","0.128","","","0.3112","0.354","","","","","","1.052","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108318","10.2","0.0002","28.2919","0.0006","12.0816","0.0002","90","","101.213","0.0008","90","","3419.92","0.11","123","1","123","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F6 I2 N6 O6 S2 -","- C28 H24 F6 I2 N6 O6 S2 -","- C112 H96 F24 I8 N24 O24 S8 -","4","1","","Florian Kniep; Laxmidhar Rout; Sebastian M. Walter; Heide K. V. Bensch; Stefan H. Jungbauer; Eberhardt Herdtweck; Stefan M. Huber","5-Iodo-1,2,3-triazolium-based multidentate halogen-bond donors as activating reagents","Chem.Commun.","2012","48","","9299","","10.1039/c2cc34392d","","","0.71073","MoKα","","0.023","0.0223","","","0.0526","0.053","","","","","","1.107","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108319","37.8284","0.0018","27.8091","0.0013","37.6849","0.0019","90","","114.965","0.002","90","","35939","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Mn10Oxa3DMF","","","- C160.5 H225.1 Cl4 Mn10 N5.5 O36.8 -","- C160.5 H220.1 Cl4 Mn10 N5.5 O36.8 -","- C1284 H1760.8 Cl32 Mn80 N44 O294.4 -","8","1","","Stephanie M. Taylor; Ruaraidh D. McIntosh; Julien Reze; Scott J. Dalgarno; Euan K. Brechin","Oxacalix[3]arene-supported supertetrahedron","Chemical Communications","2012","48","74","9263","9265","10.1039/c2cc34792j","","","0.71073","MoKα","","0.2571","0.1056","","","0.2373","0.2931","","","","","","1.236","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108320","9.8802","0.0012","10.1254","0.0015","14.573","0.002","90","","90","","90","","1457.9","0.3","100.2","","100.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Lei Liu; Hongli Ma; Yumei Xiao; Fengpei Du; Zhaohai Qin; Nan Li; Bin Fu","Highly enantioselective Friedel-Crafts alkylation of indoles and pyrrole with beta,gamma-unsaturated alpha-ketoesters catalyzed by heteroarylidene-tethered bis(oxazoline) copper complexes","Chem.Commun.","2012","48","","9281","","10.1039/c2cc34803a","","","1.5418","CuKα","","0.033","0.0322","","","0.084","0.0851","","","","","","1.035","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108321","11.9648","0.0003","11.3421","0.0004","12.6719","0.0004","90","","117.419","0.0013","90","","1526.48","0.08","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H37 B F4 N2 O3 -","- C31 H37 B F4 N2 O3 -","- C62 H74 B2 F8 N4 O6 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Rushabh S. Shah; James E. Thomson","(‒)-(S)-Nakinadine B: first asymmetric synthesis","Chem.Commun.","2012","48","","9236","","10.1039/c2cc34808j","","","0.71073","MoKα","","0.0599","0.0408","","0.114","0.095","0.114","","","","","","0.9551","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108322","23.3024","0.0002","23.3024","0.0002","23.3024","0.0002","90","","90","","90","","12653.2","0.19","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C79 H79 N9 O42 Zn9 -","- C72 H18 N6 O41 Zn9 -","- C288 H72 N24 O164 Zn36 -","4","0.166667","","Hui Yang; Fei Wang; Yao Kang; Jian Zhang","Chiral assembly of dodecahedral cavities into porous metal-organic frameworks","Chem.Commun.","2012","48","","9424","","10.1039/c2cc35024f","","","0.71073","MoKα","","0.0825","0.0688","","","0.1955","0.213","","","","","","1.057","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108323","23.3483","0.0002","23.3483","0.0002","23.3483","0.0002","90","","90","","90","","12728.2","0.19","293","2","293","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C156 H162 Cu3 N14 O86 Zn15 -","- C108 H36 Cu3 O82 Zn15 -","- C216 H72 Cu6 O164 Zn30 -","2","0.0833333","","Hui Yang; Fei Wang; Yao Kang; Jian Zhang","Chiral assembly of dodecahedral cavities into porous metal-organic frameworks","Chem.Commun.","2012","48","","9424","","10.1039/c2cc35024f","","","0.71073","MoKα","","0.0608","0.0488","","","0.1173","0.123","","","","","","0.994","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108324","11.104","0.002","11.394","0.002","13.717","0.003","102.68","0.03","113.15","0.03","90.01","0.03","1549.6","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H82 N14 O2 Si2 -","- C64 H82 N14 O2 Si2 -","- C64 H82 N14 O2 Si2 -","1","1","","Zu-Li Wang; Liang Zhao; Mei-Xiang Wang","C/aryl-C/alkyl bond formation from Cu(ClO4)2-mediated oxidative cross coupling reaction between arenes and alkyllithium reagents through structurally well-defined Ar-Cu(III) intermediates","Chem.Commun.","2012","48","","9418","","10.1039/c2cc35067j","","","0.71073","MoKα","","0.0503","0.0482","","","0.1114","0.1132","","","","","","1.053","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108325","36.061","0.003","36.061","0.003","24.163","0.003","90","","90","","120","","27212","5","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C41 H27 Cl6 N O14 Zn2 -","- C41 H27 Cl6 N O14 Zn2 -","- C738 H486 Cl108 N18 O252 Zn36 -","18","1","","Phuong V. Dau; Kristine K. Tanabe; Seth M. Cohen","Functional group effects on metal-organic framework topology","Chem.Commun.","2012","48","","9370","","10.1039/c2cc34938h","","","0.71073","MoKα","","0.1539","0.1084","","","0.2983","0.3195","","","","","","1.038","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108326","10.652","0.0004","10.6114","0.0003","13.2551","0.0006","90","","112.994","0.005","90","","1379.22","0.1","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H21 B10 P -","- C6 H21 B10 P -","- C24 H84 B40 P4 -","4","1","","Evamarie Hey-Hawkins; Peter Lonnecke; Anika Kreienbrink; Matthias Findeisen","Endocyclic P-P bond cleavage in carbaborane-substituted 1,2-diphosphetane ‒ A new route to secondary phosphinocarbaboranes","Chem.Commun.","2012","48","","9385","","10.1039/c2cc34860h","","","0.71073","MoKα","","0.087","0.0541","","","0.1091","0.1218","","","","","","1.042","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108327","11.8524","0.0008","19.2981","0.0011","21.5647","0.0016","90","","90","","90","","4932.5","0.6","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H37 B10 N P2 -","- C18 H37 B10 N P2 -","- C144 H296 B80 N8 P16 -","8","1","","Evamarie Hey-Hawkins; Peter Lonnecke; Anika Kreienbrink; Matthias Findeisen","Endocyclic P-P bond cleavage in carbaborane-substituted 1,2-diphosphetane ‒ A new route to secondary phosphinocarbaboranes","Chem.Commun.","2012","48","","9385","","10.1039/c2cc34860h","","","0.71073","MoKα","","0.1788","0.0759","","","0.1504","0.1942","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7108328","6.2911","0.0007","11.5341","0.0013","12.3473","0.0013","109.076","0.01","99.931","0.009","91.579","0.009","830.66","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 F3 N O3 -","- C21 H12 F3 N O3 -","- C42 H24 F6 N2 O6 -","2","1","","Virendra Kumar; Ajit Kumar; Uzra Diwan; K. K. Upadhyay","Uncovering the true mechanism of optical detection of HSO4‒ in water by Schiff-base receptors - hydrolysis vs. hydrogen bonding","Chem.Commun.","2012","48","","9540","","10.1039/c2cc33130f","","","0.71073","MoKα","","0.086199","0.053012","","","","0.153978","","","","","","1.02695","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108329","13.031","0.002","14.865","0.002","17.6","0.003","80.155","0.003","72.792","0.003","66.233","0.002","2975.2","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H52 Cl4 F24 N4 O8 P4 Rh2 -","- C40 H52 Cl4 F24 N4 O8 P4 Rh2 -","- C80 H104 Cl8 F48 N8 O16 P8 Rh4 -","2","1","","Noemie Elgrishi; Thomas Teets; Matthew B. Chambers; Daniel G. Nocera","Stability-enhanced hydrogen-evolving dirhodium photocatalysts through ligand modification","Chem.Commun.","2012","48","","9474","","10.1039/c2cc34691e","","","0.71073","MoKα","","0.0623","0.0468","","","0.114","0.1246","","","","","","1.024","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7108330","19.555","0.0014","10.6594","0.0008","11.3757","0.0008","90","","90","","90","","2371.2","0.3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C16 H26 B F4 I2 Ir N4 O3 -","- C16 H26 B F4 I2 Ir N4 O3 -","- C64 H104 B4 F16 I8 Ir4 N16 O12 -","4","1","","Manuel Iglesias; Maria Perez-Nicolas; Pablo J. Sanz Miguel; Victor Polo; Francisco J. Fernandez-Alvarez; Jesus J. Perez-Torrente; Luis A. Oro","A synthon for a 14-electron Ir(III) species: catalyst for highly selective beta-(Z) hydrosilylation of terminal alkynes","Chem.Commun.","2012","48","","9480","","10.1039/c2cc34931k","","","0.71073","MoKα","","0.0261","0.0252","","","0.0646","0.065","","","","","","1.023","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108331","11.8192","0.0005","7.6891","0.0004","12.4699","0.0005","90","","101.026","0.0012","90","","1112.33","0.09","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N O7 P -","- C22 H28 N O7 P -","- C44 H56 N2 O14 P2 -","2","1","","Masashi Shibata; Masahiro Ikeda; Kazuki Motoyama; Yoshihiro Miyake; Yoshiaki Nishibayashi","Enantioselective alkylation of beta-keto phosphonates by direct use of diaryl methanols as electrophiles","Chem.Commun.","2012","48","","9528","","10.1039/c2cc35262a","","","0.71075","MoKα","","","0.0352","","","","0.0653","","","","","","1","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108332","12.491","0.002","9.1019","0.0017","30.464","0.006","90","","90","","90","","3463.5","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C136 H184 N8 O32 S8 -","8","1","","Ryan M. Gorman; Marc A. Little; James A. Morris; Visuvanathar Sridharan","Rhodium-catalysed isomerisation/formal 1,3-dipolar cycloaddition cascades to fused-ring heterocycles","Chem.Commun.","2012","48","","9537","","10.1039/c2cc35372e","","","0.71073","MoKα","","0.0618","0.0552","","","0.151","0.1581","","","","","","1.043","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108333","10.4075","0.0002","12.0576","0.0002","18.1948","0.0003","95.601","0.001","94.732","0.001","109.134","0.001","2130.84","0.07","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H69 Al P2 -","- C44 H69 Al P2 -","- C88 H138 Al2 P4 -","2","1","","Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl","Alkynide and acetonitrile activation by strained AlPC2 heterocycles","Chem.Commun.","2012","48","","9616","","10.1039/c2cc33300g","","","1.54184","CuKα","","0.0775","0.0626","","","0.1645","0.1786","","","","","","1.037","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108334","16.0252","0.0009","22.6102","0.001","16.4534","0.0009","90","","116.003","0.004","90","","5358.1","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 Al N P2 -","- C52 H86 Al N P2 -","- C208 H344 Al4 N4 P8 -","4","1","","Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl","Alkynide and acetonitrile activation by strained AlPC2 heterocycles","Chem.Commun.","2012","48","","9616","","10.1039/c2cc33300g","","","0.71073","MoKα","","0.1636","0.0825","","","0.1568","0.1866","","","","","","0.974","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108335","29.4289","0.0013","16.769","0.0008","24.935","0.0011","90","","99.663","0.002","90","","12130.7","1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H104 Al N P2 -","- C60 H104 Al N P2 -","- C480 H832 Al8 N8 P16 -","8","1","","Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl","Alkynide and acetonitrile activation by strained AlPC2 heterocycles","Chem.Commun.","2012","48","","9616","","10.1039/c2cc33300g","","","0.71073","MoKα","","0.0822","0.0598","","","0.1817","0.204","","","","","","1.044","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108336","12.029","0.0003","13.5846","0.0003","18.2054","0.0004","76.013","0.001","85.932","0.001","63.74","0.001","2586.59","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H80 Al F2 N P2 -","- C54 H80 Al F2 N P2 -","- C108 H160 Al2 F4 N2 P4 -","2","1","","Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl","Alkynide and acetonitrile activation by strained AlPC2 heterocycles","Chem.Commun.","2012","48","","9616","","10.1039/c2cc33300g","","","1.54178","CuKα","","0.0902","0.063","","","0.1643","0.1823","","","","","","1.026","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108337","17.8586","0.0007","10.4392","0.0004","24.8146","0.001","90","","104.841","0.001","90","","4471.8","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 Al2 P2 -","- C44 H68 Al2 P2 -","- C176 H272 Al8 P8 -","4","1","","Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl","Alkynide and acetonitrile activation by strained AlPC2 heterocycles","Chem.Commun.","2012","48","","9616","","10.1039/c2cc33300g","","","0.71073","MoKα","","0.0965","0.0629","","","0.1642","0.186","","","","","","1.05","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108338","17.9208","0.0002","10.7839","0.0001","24.2169","0.0003","90","","106.111","0.001","90","","4496.26","0.09","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 Al2 P2 -","- C44 H68 Al2 P2 -","- C176 H272 Al8 P8 -","4","1","","Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl","Alkynide and acetonitrile activation by strained AlPC2 heterocycles","Chem.Commun.","2012","48","","9616","","10.1039/c2cc33300g","","","1.54184","CuKα","","0.0609","0.0514","","","0.1493","0.1565","","","","","","1.09","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108339","12.1692","0.0003","16.6042","0.0004","30.194","0.0007","90","","90","","90","","6101","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Al P2 -","- C30 H45 Al P2 -","- C240 H360 Al8 P16 -","8","2","","Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl","Alkynide and acetonitrile activation by strained AlPC2 heterocycles","Chem.Commun.","2012","48","","9616","","10.1039/c2cc33300g","","","1.54178","CuKα","","0.0671","0.0497","","","0.1176","0.1273","","","","","","1.052","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108340","12.5876","0.0001","15.9629","0.0001","23.762","0.0002","90","","101.314","0.0004","90","","4681.82","0.06","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H38 F12 N6 O P2 Ru -","- C51 H38 F12 N6 O P2 Ru -","- C204 H152 F48 N24 O4 P8 Ru4 -","4","1","","Erin Wachter; David K. Heidary; Brock S. Howerton; Sean Parkin; Edith C. Glazer","Light-activated ruthenium complexes photobind DNA and are cytotoxic in the photodynamic therapy window","Chem.Commun.","2012","48","","9649","","10.1039/c2cc33359g","","","0.71073","MoKα","","0.0767","0.0474","","","0.1164","0.132","","","","","","1.058","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108341","7.2464","0.0007","10.7305","0.0009","14.4456","0.0012","90","","94.265","0.005","90","","1120.14","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ni2L(CS2)2","","","- C11 H9 N2 Ni S2 -","- C11 H9 N2 Ni S2 -","- C44 H36 N8 Ni4 S8 -","4","1","","Amarnath Bheemaraju; Jeffrey Beattie; Richard Lord; Philip Martin; Stanislav Groysman","Carbon disulfide binding at dinuclear and mononuclear nickel complexes ligated by a redox-active ligand: iminopyridine serving as an accumulator of redox equivalents for the activation of heteroallenes","Chem.Commun.","2012","48","","9595","","10.1039/c2cc34307j","","","0.71073","MoKα","","0.0809","0.0695","","","0.1731","0.1827","","","","","","1.079","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108342","25.286","0.003","7.3278","0.0006","21.348","0.002","90","","120.423","0.008","90","","3410.9","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","NiL2(COD)","","","- C21 H24 N2 Ni -","- C21 H24 N2 Ni -","- C168 H192 N16 Ni8 -","8","1","","Amarnath Bheemaraju; Jeffrey Beattie; Richard Lord; Philip Martin; Stanislav Groysman","Carbon disulfide binding at dinuclear and mononuclear nickel complexes ligated by a redox-active ligand: iminopyridine serving as an accumulator of redox equivalents for the activation of heteroallenes","Chem.Commun.","2012","48","","9595","","10.1039/c2cc34307j","","","0.71073","MoKα","","0.0311","0.0258","","","0.071","0.0735","","","","","","1.046","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108343","8.7358","0.0007","9.5434","0.0007","17.0075","0.0014","98.21","0.005","98.742","0.005","96.563","0.005","1373.6","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","NiL2(CS2)","","","- C14 H12 N2 Ni S2 -","- C14 H12 N2 Ni S2 -","- C56 H48 N8 Ni4 S8 -","4","2","","Amarnath Bheemaraju; Jeffrey Beattie; Richard Lord; Philip Martin; Stanislav Groysman","Carbon disulfide binding at dinuclear and mononuclear nickel complexes ligated by a redox-active ligand: iminopyridine serving as an accumulator of redox equivalents for the activation of heteroallenes","Chem.Commun.","2012","48","","9595","","10.1039/c2cc34307j","","","0.71073","MoKα","","0.0911","0.0712","","","0.2004","0.2172","","","","","","1.03","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108344","20.518","0.003","23.518","0.003","27.721","0.005","90","","111.402","0.002","90","","12454","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H210 N28 Ni25 O178 P4 W36 -","- C50 H188 N28 Ni25 O178 P4 W36 -","- C100 H376 N56 Ni50 O356 P8 W72 -","2","0.5","","Ling Huang; Jie Zhang; Lin Cheng; Guo-Yu Yang","Poly(polyoxometalate)s assembled by {Ni6PW9} units: from ring-shaped Ni24-tetramers to rod-shaped Ni40-octamers","Chem.Commun.","2012","48","","9658","","10.1039/c2cc34332k","","","0.71073","MoKα","","0.0964","0.0863","","","0.1896","0.2008","","","","","","1.126","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108345","13.724","0.003","28.811","0.008","30.191","0.008","108.865","0.004","90.168","0.002","97.909","0.002","11175","5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H324 N56 Ni46 O338 P8 W74 -","- C60 H300 N56 Ni46 O338 P8 W74 -","- C60 H300 N56 Ni46 O338 P8 W74 -","1","0.5","","Ling Huang; Jie Zhang; Lin Cheng; Guo-Yu Yang","Poly(polyoxometalate)s assembled by {Ni6PW9} units: from ring-shaped Ni24-tetramers to rod-shaped Ni40-octamers","Chem.Commun.","2012","48","","9658","","10.1039/c2cc34332k","","","0.71073","MoKα","","0.1607","0.0904","","","0.1922","0.2451","","","","","","1.031","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108346","10.209","0.0003","15.6603","0.0005","19.1412","0.0006","77.598","0.002","80.191","0.002","73.079","0.002","2840.3","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N8 O2 -","- C32 H34 N8 O2 -","- C128 H136 N32 O8 -","4","2","","Chen-Yu Li; Chen-Ruei Wu; Yi-Chang Liu; Bao-Tsan Ko","Trimetallic magnesium complexes bearing amine-bis(benzotriazole phenolate) derivatives as bifunctional catalysts for ring-opening polymerization and CO2/epoxide coupling","Chem.Commun.","2012","48","","9628","","10.1039/c2cc34450e","","","0.71073","MoKα","","0.0921","0.0517","","","0.1133","0.1295","","","","","","1.046","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108347","14.4831","0.0003","17.4925","0.0003","17.6584","0.0003","93.05","0.001","109.121","0.001","105.899","0.001","4014.56","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H78 Mg3 N16 O6 -","- C89 H78 Mg3 N16 O6 -","- C178 H156 Mg6 N32 O12 -","2","1","","Chen-Yu Li; Chen-Ruei Wu; Yi-Chang Liu; Bao-Tsan Ko","Trimetallic magnesium complexes bearing amine-bis(benzotriazole phenolate) derivatives as bifunctional catalysts for ring-opening polymerization and CO2/epoxide coupling","Chem.Commun.","2012","48","","9628","","10.1039/c2cc34450e","","","0.71073","MoKα","","0.1195","0.0579","","","0.1316","0.1532","","","","","","1.037","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108348","12.861","0.0002","22.5964","0.0005","29.0187","0.0006","90","","106.333","0.001","90","","8092.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C172 H180 Mg6 N32 O13 -","- C172 H180 Mg6 N32 O13 -","- C344 H360 Mg12 N64 O26 -","2","0.5","","Chen-Yu Li; Chen-Ruei Wu; Yi-Chang Liu; Bao-Tsan Ko","Trimetallic magnesium complexes bearing amine-bis(benzotriazole phenolate) derivatives as bifunctional catalysts for ring-opening polymerization and CO2/epoxide coupling","Chem.Commun.","2012","48","","9628","","10.1039/c2cc34450e","","","0.71073","MoKα","","0.2369","0.0988","","","0.248","0.3086","","","","","","1.002","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108349","10.2373","0.0016","12.2791","0.0018","16.455","0.003","97.386","0.013","106.742","0.007","108.025","0.009","1829","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H45 Cl N4 O2 S -","- C40 H45 Cl N4 O2 S -","- C80 H90 Cl2 N8 O4 S2 -","2","1","","Jieyun Wu; Shuhui Bo; Jialei Liu; Tingting Zhou; Hongyan Xiao; Ling Qiu; Zhen Zhen; Xinhou Liu","Synthesis of novel nonlinear optical chromophore to achieve ultrahigh electro-optic activity","Chem.Commun.","2012","48","","9637","","10.1039/c2cc34747d","","","0.71073","MoKα","","0.1024","0.0689","","","0.1498","0.1675","","","","","","1","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108350","15.452","0.003","12.462","0.003","26.864","0.005","90","","90.18","0.03","90","","5173","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H46 N2 O -","- C66 H46 N2 O -","- C264 H184 N8 O4 -","4","1","","Jing Huang; Xiao Yang; Xianjie Li; Pengyu Chen; Runli Tang; Feng Li; Ping Lu; Yuguang Ma; Lei Wang; Jingui Qin; Qianqian Li; Zhen Li","Bipolar AIE-active luminogens comprised of an oxadiazole core and terminal TPE moieties as a new type of host for doped electroluminescence","Chem.Commun.","2012","48","","9586","","10.1039/c2cc34966c","","","0.71073","MoKα","","0.2059","0.0759","","","0.218","0.3177","","","","","","0.803","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7108351","11.671","0.007","19.299","0.012","21.86","0.014","90","","90","","90","","4924","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl N O Rh -","- C29 H27 Cl N O Rh -","- C232 H216 Cl8 N8 O8 Rh8 -","8","1","","Jun Zhang; Jun Fu; Xiaolong Su; Xinke Qin; Meixin Zhao; Min Shi","Abnormal oxazol-4-ylidene and thiazol-4-ylidene rhodium complexes: synthesis, structure, and properties","Chem.Commun.","2012","48","","9625","","10.1039/c2cc35020c","","","0.71073","MoKα","","0.0608","0.0316","","","0.0671","0.0742","","","","","","0.901","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108352","7.677","0.009","12.049","0.015","16.55","0.02","109.144","0.015","96.378","0.014","97.42","0.015","1415","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl3 N Rh S -","- C30 H29 Cl3 N Rh S -","- C60 H58 Cl6 N2 Rh2 S2 -","2","1","","Jun Zhang; Jun Fu; Xiaolong Su; Xinke Qin; Meixin Zhao; Min Shi","Abnormal oxazol-4-ylidene and thiazol-4-ylidene rhodium complexes: synthesis, structure, and properties","Chem.Commun.","2012","48","","9625","","10.1039/c2cc35020c","","","0.71073","MoKα","","0.0501","0.0471","","","0.1195","0.1219","","","","","","1.095","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108353","9.645","0.003","14.571","0.005","15.15","0.005","90","","101.947","0.005","90","","2083","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F3 N O3 S2 -","- C22 H16 F3 N O3 S2 -","- C88 H64 F12 N4 O12 S8 -","4","1","","Jun Zhang; Jun Fu; Xiaolong Su; Xinke Qin; Meixin Zhao; Min Shi","Abnormal oxazol-4-ylidene and thiazol-4-ylidene rhodium complexes: synthesis, structure, and properties","Chem.Commun.","2012","48","","9625","","10.1039/c2cc35020c","","","0.71073","MoKα","","0.0692","0.0509","","","0.1502","0.1624","","","","","","1.056","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108354","7.594","0.006","10.726","0.009","15.412","0.012","106.631","0.009","98.221","0.01","103.331","0.01","1140.7","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F3 N O4 S2 -","- C23 H18 F3 N O4 S2 -","- C46 H36 F6 N2 O8 S4 -","2","1","","Jun Zhang; Jun Fu; Xiaolong Su; Xinke Qin; Meixin Zhao; Min Shi","Abnormal oxazol-4-ylidene and thiazol-4-ylidene rhodium complexes: synthesis, structure, and properties","Chem.Commun.","2012","48","","9625","","10.1039/c2cc35020c","","","0.71073","MoKα","","0.1077","0.0978","","","0.2606","0.274","","","","","","1.161","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108355","11.0457","0.0009","14.7223","0.0015","36.52","0.004","90","","90","","90","","5938.8","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H25 Br N4 O7 S2 -","- C24 H25 Br N4 O7 S2 -","- C192 H200 Br8 N32 O56 S16 -","8","2","","Zhen Zhang; De Wang; Yin Wei; Min Shi","Facile synthesis of 2-pyrazolines and alpha,beta-diamino ketones via regioselective ring-opening of hydrazone-tethered aziridines","Chem.Commun.","2012","48","","9607","","10.1039/c2cc35135h","","","0.71073","MoKα","","0.1553","0.1004","","","0.2259","0.2521","","","","","","0.927","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108356","7.5819","0.0007","9.283","0.0009","13.8365","0.0014","95.425","0.002","95.329","0.002","106.406","0.002","922.7","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br N4 O4 S -","- C17 H17 Br N4 O4 S -","- C34 H34 Br2 N8 O8 S2 -","2","1","","Zhen Zhang; De Wang; Yin Wei; Min Shi","Facile synthesis of 2-pyrazolines and alpha,beta-diamino ketones via regioselective ring-opening of hydrazone-tethered aziridines","Chem.Commun.","2012","48","","9607","","10.1039/c2cc35135h","","","0.71073","MoKα","","0.059","0.0464","","","0.1194","0.1272","","","","","","1.047","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108357","53.632","0.004","9.3905","0.0006","16.7335","0.001","90","","102.327","0.002","90","","8233.2","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H17 Br N4 O4 S -","- C17 H16.9875 Br N4 O4 S -","- C272 H271.8 Br16 N64 O64 S16 -","16","4","","Zhen Zhang; De Wang; Yin Wei; Min Shi","Facile synthesis of 2-pyrazolines and alpha,beta-diamino ketones via regioselective ring-opening of hydrazone-tethered aziridines","Chem.Commun.","2012","48","","9607","","10.1039/c2cc35135h","","","0.71073","MoKα","","0.1031","0.0554","","","0.1254","0.14","","","","","","0.949","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108358","13.4314","0.0018","23.977","0.003","28.786","0.004","99.891","0.002","96.29","0.002","105.059","0.002","8702","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H56 Cl F6 N2 O P3 Pd -","- C59 H56 Cl F6 N2 O P3 Pd -","- C354 H336 Cl6 F36 N12 O6 P18 Pd6 -","6","3","","Shun Sugawara; Satoshi Kojima; Yohsuke Yamamoto","Synthesis of new cyclic aromatic carbene ligands bearing remote amino groups and their palladium(II) complexes","Chem.Commun.","2012","48","","9735","","10.1039/c2cc33510g","","","0.71073","MoKα","","0.0986","0.0595","","","0.1527","0.1679","","","","","","1.011","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108359","9.0244","0.001","11.0496","0.0012","14.0165","0.0015","103.63","0.003","91.184","0.003","109.38","0.003","1273.9","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H29 Cl F6 N3 O P -","- C25 H29 Cl F6 N3 O P -","- C50 H58 Cl2 F12 N6 O2 P2 -","2","1","","Shun Sugawara; Satoshi Kojima; Yohsuke Yamamoto","Synthesis of new cyclic aromatic carbene ligands bearing remote amino groups and their palladium(II) complexes","Chem.Commun.","2012","48","","9735","","10.1039/c2cc33510g","","","0.71075","MoKα","","0.0634","0.0511","","","0.1411","0.1503","","","","","","1.068","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108360","12.1248","0.001","8.8762","0.0008","13.906","0.0012","90","","107.207","0.002","90","","1429.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Shun Sugawara; Satoshi Kojima; Yohsuke Yamamoto","Synthesis of new cyclic aromatic carbene ligands bearing remote amino groups and their palladium(II) complexes","Chem.Commun.","2012","48","","9735","","10.1039/c2cc33510g","","","0.71075","MoKα","","0.047","0.0411","","","0.1119","0.1169","","","","","","1.04","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108361","7.5775","0.0007","11.0791","0.0011","16.7543","0.0017","90","","90","","90","","1406.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Br N2 O3 -","- C15 H11 Br N2 O3 -","- C60 H44 Br4 N8 O12 -","4","1","","Alejandro Parra; Ricardo Alfaro; Leyre Marzo; Alberto Moreno-Carrasco; Jose Luis Garcia Ruano; Jose Aleman","Enantioselective aza-Henry reactions of cyclic alpha-carbonyl ketimines under bifunctional catalysis","Chem.Commun.","2012","48","","9759","","10.1039/c2cc34053d","","","1.54178","CuKα","","0.0634","0.0423","","","0.0973","0.1372","","","","","","1.18","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108362","12.183","0.005","12.582","0.004","16.689","0.005","93.84","0.02","91.81","0.02","107.65","0.02","2428.7","1.5","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 N24 Ni3 O3 -","- C37 H58 N24 Ni3 O3 -","- C74 H116 N48 Ni6 O6 -","2","1","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0762","0.0531","","","0.1318","0.1423","","","","","","1.069","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108363","17.8824","0.0003","17.8824","0.0003","72.9661","0.0014","90","","90","","120","","20207.1","0.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C110 H159 N63 Ni9 O12 -","- C110 H156 N63 Ni9 O12 -","- C660 H936 N378 Ni54 O72 -","6","0.166667","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0353","0.0267","","","0.0715","0.0784","","","","","","1.065","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108364","18.0774","0.0008","18.0774","0.0008","72.889","0.004","90","","90","","120","","20628.4","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H156 Br3 N57 Ni9 O7 -","- C108 H156 Br3.04 N57 Ni9 O7 -","- C648 H936 Br18.24 N342 Ni54 O42 -","6","0.166667","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0734","0.0501","","","0.1466","0.1676","","","","","","1.066","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108365","18.0085","0.0009","18.0085","0.0009","73.205","0.005","90","","90","","120","","20560","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C216 H314 Cl4 N120 Ni18 O13 -","- C216 H312 Cl4.08 N120 Ni18 O13 -","- C648 H936 Cl12.24 N360 Ni54 O39 -","3","0.0833333","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0742","0.0379","","","0.1056","0.1265","","","","","","1.043","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108366","17.9113","0.0012","17.9113","0.0012","72.574","0.005","90","","90","","120","","20163","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H160 I3 N57 Ni9 O8 -","- C108 H156 I3 N57 Ni9 O8 -","- C648 H936 I18 N342 Ni54 O48 -","6","0.166667","","Jordi Esteban; Merce Font-Bardia; Albert Escuer","Anion coordination by metallamacrocycles: a cryptand-like cavity","Chem.Commun.","2012","48","","9777","","10.1039/c2cc34061e","","","0.71073","MoKα","","0.0761","0.0545","","","0.1679","0.1883","","","","","","1.061","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108367","11.5321","0.00003","17.4522","0.00005","14.0824","0.00004","90","","93.2088","0.0018","90","","2829.79","0.014","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Mn(5-Me-saltmen))2(ReCl4(CN)2)3CH3CN","Mn(5-Me-saltmen)]2[ReCl4(CN)2]3CH3CN","","- C52 H61 Cl4 Mn2 N9 O4 Re -","- C52 H58 Cl4 Mn2 N9 O4 Re -","- C104 H116 Cl8 Mn4 N18 O8 Re2 -","2","0.5","","Indrani Bhowmick; T. David Harris; Pierre Dechambenoit; Elizabeth A. Hillard; Claude Coulon; Rodolphe Clerac","A canted antiferromagnetic ordered phase of cyanido-bridged MnIII2ReIV single-chain magnets","Chem.Commun.","2012","48","","9717","","10.1039/c2cc34066f","","","0.71073","MoKα","","0.0506","0.0328","","","0.0739","0.0807","","","","","","1.025","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108368","9.792","0.003","23.618","0.006","15.158","0.005","90","","105.411","0.006","90","","3379.5","1.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 N3 O3 Yb -","- C33 H55 N3 O3 Yb -","- C132 H220 N12 O12 Yb4 -","4","1","","Sheng Yang; Zhu Du; Yong Zhang; Qi Shen","Highly heteroselective ring-opening polymerization of racemic lactide initiated by bis(phenolate) divalent ytterbium complexes","Chem.Commun.","2012","48","","9780","","10.1039/c2cc34451c","","","0.71075","MoKα","","0.0448","0.0367","","","0.0871","0.0936","","","","","","1.138","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108369","8.649","0.003","17.753","0.005","20.315","0.007","90","","102.324","0.008","90","","3047.4","1.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H52 N4 Si4 Yb -","- C18 H52 N4 Si4 Yb -","- C72 H208 N16 Si16 Yb4 -","4","0.5","","Sheng Yang; Zhu Du; Yong Zhang; Qi Shen","Highly heteroselective ring-opening polymerization of racemic lactide initiated by bis(phenolate) divalent ytterbium complexes","Chem.Commun.","2012","48","","9780","","10.1039/c2cc34451c","","","0.71075","MoKα","","0.1067","0.088","","","0.2037","0.211","","","","","","0.94","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108370","12.5079","0.0002","14.1307","0.0004","14.1381","0.0005","67.194","0.015","64.666","0.014","64.7","0.015","1976.8","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H64 N2 O5 Yb -","- C40 H40 N2 O5 Yb -","- C80 H80 N4 O10 Yb2 -","2","1","","Sheng Yang; Zhu Du; Yong Zhang; Qi Shen","Highly heteroselective ring-opening polymerization of racemic lactide initiated by bis(phenolate) divalent ytterbium complexes","Chem.Commun.","2012","48","","9780","","10.1039/c2cc34451c","","","0.71075","MoKα","","0.0804","0.0675","","","0.1489","0.1588","","","","","","1.149","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108371","9.338","0.0006","13.9088","0.0009","15.438","0.001","90","","90","","90","","2005.1","0.2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C19 H20 Br N3 O4 S -","- C19 H20 Br N3 O4 S -","- C76 H80 Br4 N12 O16 S4 -","4","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0427","0.0352","","","0.081","0.085","","","","","","1.018","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108372","11.3493","0.0002","6.9182","0.0001","13.3601","0.0003","90","","104.616","0.001","90","","1015.04","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C20 H20 Br N3 O4 -","- C20 H20 Br N3 O4 -","- C40 H40 Br2 N6 O8 -","2","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0504","0.0368","","","0.087","0.0927","","","","","","1.059","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108373","4.9219","0.0001","10.158","0.0003","16.0223","0.0005","90","","90.145","0.002","90","","801.06","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C14 H21 N3 O4 S -","- C14 H21 N3 O4 S -","- C28 H42 N6 O8 S2 -","2","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0372","0.0345","","","0.0804","0.0821","","","","","","1.033","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108374","34.827","0.0008","8.3408","0.0004","26.861","0.0009","90","","129.318","0.001","90","","6036.5","0.4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Peptide","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C208 H304 N48 O64 S16 -","16","2","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0616","0.0563","","","0.1238","0.1264","","","","","","1.175","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108375","7.6518","0.0004","11.1273","0.0006","14.9119","0.0009","90","","90","","90","","1269.66","0.12","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0263","0.0253","","","0.0664","0.0672","","","","","","1.094","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108376","15.395","0.004","8.2539","0.0004","27.027","0.001","90","","101.261","0.001","90","","3368.2","0.9","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","Peptide","","","- C14 H20 N2 O5 S -","- C14 H20 N2 O5 S -","- C112 H160 N16 O40 S8 -","8","2","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0317","0.0312","","","0.0839","0.0845","","","","","","1.045","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108377","12.8333","0.0002","8.3635","0.0001","15.0888","0.0002","90","","106.021","0.0006","90","","1556.6","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Peptide","","","- C13 H18 N2 O5 S -","- C13 H18 N2 O5 S -","- C52 H72 N8 O20 S4 -","4","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0467","0.038","","","0.1056","0.112","","","","","","1.069","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108378","10.298","0.0016","37.077","0.006","10.7859","0.0017","90","","95.598","0.002","90","","4098.6","1.1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H51 N11 O21 Pu -","- C26 H51 N11 O21 Pu -","- C104 H204 N44 O84 Pu4 -","4","1","","Andrew Gaunt; Andrew J. Gaunt; Sean Reilly; Brian Scott; Giuseppe Modolo; Mark Sarsfield; Willem Verboom; Mudassir Iqbal","Plutonium(IV) complexation by diglycolamide ligands‒coordination chemistry insight into TODGA-based actinide separations","Chem.Commun.","2012","48","","9732","","10.1039/c2cc34967a","","","0.71073","MoKα","","0.0892","0.0886","","","0.1622","0.1623","","","","","","4.433","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108379","21.121","0.005","12.83","0.003","19.842","0.005","90","","104.811","0.003","90","","5198","2","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 N10 O22 Pu -","- C24 H48 N10 O21 Pu -","- C96 H192 N40 O84 Pu4 -","4","0.5","","Andrew Gaunt; Andrew J. Gaunt; Sean Reilly; Brian Scott; Giuseppe Modolo; Mark Sarsfield; Willem Verboom; Mudassir Iqbal","Plutonium(IV) complexation by diglycolamide ligands‒coordination chemistry insight into TODGA-based actinide separations","Chem.Commun.","2012","48","","9732","","10.1039/c2cc34967a","","","0.71073","MoKα","","0.0811","0.0698","","","0.1735","0.1773","","","","","","1.265","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108380","15.5665","0.0006","15.5665","0.0006","12.3201","0.0014","90","","90","","90","","2985.4","0.4","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C8 H9 In O7.5 -","- C8 H4 In O5 -","- C64 H32 In8 O40 -","8","0.5","","Jinjie Qian; Feilong Jiang; Daqiang Yuan; Mingyan Wu; Shuquan Zhang; Linjie Zhang; Maochun Hong","Highly selective carbon dioxide adsorption in a water-stable indium-organic framework material","Chem.Commun.","2012","48","","9696","","10.1039/c2cc35068h","","","0.71073","MoKα","","0.0164","0.0156","","","0.0475","0.048","","","","","","1.175","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108381","6.3936","0.0002","11.9067","0.0004","21.0945","0.0006","90","","91.975","0.001","90","","1604.9","0.09","108.1","","108.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N O2 Rh -","- C19 H22 N O2 Rh -","- C76 H88 N4 O8 Rh4 -","4","1","","Akira Onoda; Kazuki Fukumoto; Marcus Arlt; Marco Bocola; Ulrich Schwaneberg; Takashi Hayashi","A rhodium complex-linked beta-barrel protein as a hybrid biocatalyst for phenylacetylene polymerization","Chem.Commun.","2012","48","","9756","","10.1039/c2cc35165j","","","0.71075","MoKα","","0.0296","0.0239","","","0.058","0.06","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108382","19.3415","0.0005","12.5777","0.0004","8.9696","0.0002","90","","90","","90","","2182.05","0.1","120","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H15 I3 N2 O5 S -","- C13 H8.01 I3 N2 O5 S -","- C52 H32.04 I12 N8 O20 S4 -","4","0.5","","Fucke, Katharina; Howard, Judith; Steed, Jonathan","Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide","Chemical Communications (Cambridge, United Kingdom)","2012","48","99","12065","12067","10.1039/c2cc35995b","","x-ray","0.71073","MoKα","K-L~3~","0.0494","0.0423","","","0.1113","0.1176","","","","","","1.043","","","","has coordinates,has disorder","210824","2020-10-21","18:00:00",""
"7108383","15.845","0.002","9.1061","0.0013","32.832","0.004","90","","90","","90","","4737.2","1.1","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 I3 N2 O6 S2 -","- C15 H21 I3 N2 O6 S2 -","- C120 H168 I24 N16 O48 S16 -","8","1","","Fucke, Katharina; Howard, Judith; Steed, Jonathan","Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide","Chemical Communications (Cambridge, United Kingdom)","2012","48","99","12065","12067","10.1039/c2cc35995b","","x-ray","0.71073","MoKα","K-L~3~","0.1695","0.0522","","","0.1036","0.1369","","","","","","0.855","","","","has coordinates","210824","2020-10-21","18:00:00",""
"7108384","20.5386","0.0005","9.6418","0.0002","16.3885","0.0004","90","","96.764","0.001","90","","3222.81","0.13","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 I3 N2 O8 S4 -","- C19 H33 I3 N2 O8 S4 -","- C76 H132 I12 N8 O32 S16 -","4","1","","Fucke, Katharina; Howard, Judith; Steed, Jonathan","Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide","Chemical Communications (Cambridge, United Kingdom)","2012","48","99","12065","12067","10.1039/c2cc35995b","","x-ray","0.71073","MoKα","K-L~3~","0.0438","0.0336","","","0.0833","0.0885","","","","","","0.99","","","","has coordinates","210824","2020-10-21","18:00:00",""
"7108385","12.3612","0.0014","13.6377","0.0017","13.7548","0.0015","115.92","0.008","100.591","0.009","99.214","0.009","1972.7","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H106 Er2 Fe4 N16 O24 -","- C54 H106 Er2 Fe4 N16 O24 -","- C54 H106 Er2 Fe4 N16 O24 -","1","0.5","","Sebastian Schmidt; Denis Prodius; Ghenadie Novitchi; Valeriu Mereacre; George E Kostakis; Annie K.Powell","New Members of Ferromagnetic Heteronuclear Ferric Wheels: Structure and Properties of {Fe4(Er, Lu)2} coordination clusters","Chem.Commun.","2012","48","","9825","","10.1039/c2cc34361d","","","0.71073","MoKα","","0.1084","0.0491","","","0.0793","0.0888","","","","","","0.903","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108386","12.345","0.002","13.741","0.002","13.7745","0.001","115.97","0.03","100.368","0.012","99.465","0.012","1986.7","0.8","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H106 Fe4 Lu2 N16 O24 -","- C54 H106 Fe4 Lu2 N16 O24 -","- C54 H106 Fe4 Lu2 N16 O24 -","1","0.5","","Sebastian Schmidt; Denis Prodius; Ghenadie Novitchi; Valeriu Mereacre; George E Kostakis; Annie K.Powell","New Members of Ferromagnetic Heteronuclear Ferric Wheels: Structure and Properties of {Fe4(Er, Lu)2} coordination clusters","Chem.Commun.","2012","48","","9825","","10.1039/c2cc34361d","","","0.71073","MoKα","","0.1338","0.0728","","","0.1631","0.1826","","","","","","0.918","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108387","40.4567","0.0012","13.2186","0.0004","26.4512","0.0007","90","","90","","90","","14145.6","0.7","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2TMS4-TBQ.2C60.1.25toluene.0.75benzene","","","- C221.25 H110.5 Si8 -","- C221.25 H110.5 Si8 -","- C885 H442 Si32 -","4","1","","Benjamin T. King; Marilyn M. Olmstead; Kim K. Baldridge; Bharat Kumar; Alan L. Balch; Jafar Attar Gharamaleki","Co-crystals of tetrabenzoquadrannulene and C60: application of the sphere in a cone model","Chem.Commun.","2012","48","","9882","","10.1039/c2cc34472f","","","0.7749","synchrotron","","0.1105","0.0919","","","0.2336","0.2522","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108388","24.3302","0.0011","9.5623","0.0005","24.6111","0.0016","90","","91.542","0.005","90","","5723.8","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","poly-[[dekakis(mu-imidazolato-KN:KN')pentacobalt(II)]-water-4-methylpyridine (1/8/1)","","- C36 H53 Co5 N21 O8 -","- C30 H30 Co5 N20 -","- C120 H120 Co20 N80 -","4","1","","Monica Lanchas; Daniel Vallejo-Sanchez; Garikoitz Beobide; Oscar Castillo; Andres T. Aguayo; Antonio Luque; Pascual Roman","A direct reaction approach for the synthesis of zeolitic imidazolate frameworks: template and temperature mediated control on network topology and crystal size","Chem.Commun.","2012","48","","9930","","10.1039/c2cc34787c","","","1.54184","CuKα","","0.1221","0.0634","","","0.1361","0.1551","","","","","","0.754","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108389","7.5757","0.0001","11.7655","0.0002","30.9842","0.0005","90","","90","","90","","2761.68","0.07","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C128 H120 N24 O24 -","8","1","","Charlotte L. Sutherell; Sam Thompson; Richard T. W. Scott; Andrew D. Hamilton","Aryl-linked imidazolidin-2-ones as non-peptidic beta-strand mimetics","Chem.Commun.","2012","48","","9834","","10.1039/c2cc34791a","","","0.71073","MoKα","","0.0703","0.0545","","0.0639","0.0504","0.048","","","","","","1.0864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108390","11.1653","0.0002","5.4308","0.0001","19.3601","0.0004","90","","106.029","0.0007","90","","1128.29","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-methyl-1-(3-((S)-5-methyl-2-oxo-3-phenylimidazolidin-1-yl)phenyl)-3 -(3-nitrophenyl)imidazolidin-2-one","","- C26 H25 N5 O4 -","- C26 H25 N5 O4 -","- C52 H50 N10 O8 -","2","1","","Charlotte L. Sutherell; Sam Thompson; Richard T. W. Scott; Andrew D. Hamilton","Aryl-linked imidazolidin-2-ones as non-peptidic beta-strand mimetics","Chem.Commun.","2012","48","","9834","","10.1039/c2cc34791a","","","0.71073","MoKα","","0.0444","0.0374","","0.0441","0.0379","0.0366","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108391","16.4976","0.0006","17.7965","0.0006","24.6568","0.0009","86.7","0.002","86.475","0.002","65.444","0.002","6567.9","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C204 H182 Cd20 Cl8 N60 O71 -","- C204 H160 Cd20 Cl8 N60 O71 -","- C204 H160 Cd20 Cl8 N60 O71 -","1","1","","Ana M. Garcia-Deibe; Cristina Portela-Garcia; Matilde Fondo; Antonio J. Mota; Jesus Sanmartin-Matalobos","Encapsulation of atmospheric CO2 by a self-assembled decanuclear cadmium complex via unfamiliar perchlorato and carbonato bridges","Chem.Commun.","2012","48","","9915","","10.1039/c2cc35171d","","","0.71073","MoKα","","0.1703","0.0877","","","0.2335","0.2831","","","","","","1.089","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108392","9.0408","0.0005","17.4676","0.0009","11.6328","0.0005","90","","90.467","0.002","90","","1837","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd N6 O2 -","- C20 H16 Cd N6 O2 -","- C80 H64 Cd4 N24 O8 -","4","1","","Ana M. Garcia-Deibe; Cristina Portela-Garcia; Matilde Fondo; Antonio J. Mota; Jesus Sanmartin-Matalobos","Encapsulation of atmospheric CO2 by a self-assembled decanuclear cadmium complex via unfamiliar perchlorato and carbonato bridges","Chem.Commun.","2012","48","","9915","","10.1039/c2cc35171d","","","0.71073","MoKα","","0.0646","0.0429","","","0.1095","0.1233","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108393","7.04","0.0004","11.0757","0.0008","14.6098","0.001","90","","96.183","0.003","90","","1132.54","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","1","","Ana M. Garcia-Deibe; Cristina Portela-Garcia; Matilde Fondo; Antonio J. Mota; Jesus Sanmartin-Matalobos","Encapsulation of atmospheric CO2 by a self-assembled decanuclear cadmium complex via unfamiliar perchlorato and carbonato bridges","Chem.Commun.","2012","48","","9915","","10.1039/c2cc35171d","","","0.71073","MoKα","","0.0947","0.0447","","","0.0837","0.1008","","","","","","1.05","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108394","10.628","0.002","19.09","0.004","14.334","0.003","90","","102.91","0.03","90","","2834.7","1.1","123","2","123","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H36 Br2 N2 Pb -","- C27 H36 Br2 N2 Pb -","- C108 H144 Br8 N8 Pb4 -","4","2","","Cameron Jones; Anastas Sidiropoulos; Nicole Holzmann; Gernot Frenking; Andreas Stasch","An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:","Chem.Commun.","2012","48","","9855","","10.1039/c2cc35228a","","","0.71073","MoKα","","0.0732","0.0574","","","0.1017","0.1095","","","","","","1.012","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108395","12.2068","0.0002","13.3207","0.0003","20.7196","0.0004","92.467","0.001","93.122","0.001","116.634","0.001","2998.5","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H84 Ge2 N4 -","- C66 H84 Ge2 N4 -","- C132 H168 Ge4 N8 -","2","1","","Cameron Jones; Anastas Sidiropoulos; Nicole Holzmann; Gernot Frenking; Andreas Stasch","An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:","Chem.Commun.","2012","48","","9855","","10.1039/c2cc35228a","","","0.71073","MoKα","","0.0658","0.0381","","","0.0772","0.0859","","","","","","1.035","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108396","13.8057","0.0006","12.2283","0.0005","15.4273","0.0007","90","","97.181","0.002","90","","2584.01","0.19","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N4 Sn2 -","- C54 H72 N4 Sn2 -","- C108 H144 N8 Sn4 -","2","0.5","","Cameron Jones; Anastas Sidiropoulos; Nicole Holzmann; Gernot Frenking; Andreas Stasch","An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:","Chem.Commun.","2012","48","","9855","","10.1039/c2cc35228a","","","0.71073","MoKα","","0.0454","0.0393","","","0.0998","0.1034","","","","","","1.127","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108397","12.2533","0.0007","22.8619","0.0012","13.0395","0.0007","90","","108.371","0.001","90","","3466.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H96 Ge2 N4 -","- C78 H96 Ge2 N4 -","- C156 H192 Ge4 N8 -","2","0.5","","Cameron Jones; Anastas Sidiropoulos; Nicole Holzmann; Gernot Frenking; Andreas Stasch","An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:","Chem.Commun.","2012","48","","9855","","10.1039/c2cc35228a","","","0.71073","MoKα","","0.0994","0.0492","","","0.0881","0.1041","","","","","","0.988","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108398","6.2543","0.0003","14.7919","0.0006","9.4637","0.0005","90","","101.721","0.005","90","","857.26","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","","Zhenjun Mao; Haijun Qu; Yanyan Zhao; Xufeng Lin","A general access to 1,1-cyclopropane aminoketones and their conversion into 2-benzoyl quinolines","Chem.Commun.","2012","48","","9927","","10.1039/c2cc35235d","","","1.54184","CuKα","","0.0445","0.0379","","","0.1049","0.1158","","","","","","1.118","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108399","8.71555","0.00018","8.71796","0.00019","12.4456","0.0003","90","","104.988","0.0014","90","","913.47","0.04","93.1","","93","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N O3 -","- C19 H24 Cl N O3 -","- C38 H48 Cl2 N2 O6 -","2","1","","Ryo Shintani; Tomoaki Ito; Midori Nagamoto; Haruka Otomo; Tamio Hayashi","Palladium-catalyzed asymmetric synthesis of 2-pyrrolidinones with a quaternary carbon stereocenter","Chem.Commun.","2012","48","","9936","","10.1039/c2cc35259a","","","1.54187","CuKα","","","0.0404","","","","0.102","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108400","21.17","0.0012","12.0046","0.0005","17.9282","0.0009","90","","99.384","0.005","90","","4495.3","0.4","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45 H50 Cl4 O10 -","- C45 H48 Cl4 O10 -","- C180 H192 Cl16 O40 -","4","1","","Chengyou Han; Zibin Zhang; Guocan Yu; Feihe Huang","Syntheses of a pillar[4]arene[1]quinone and a difunctionalized pillar[5]arene by partial oxidation","Chem.Commun.","2012","48","","9876","","10.1039/c2cc35498e","","","0.71073","MoKα","","0.1332","0.1174","","","0.2693","0.2784","","","","","","1.036","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108401","36.5565","0.0004","20.67542","0.00018","22.5397","0.0002","90","","92.9319","0.0009","90","","17013.7","0.3","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H47 Cl3 O10 -","- C44.5 H47 Cl3 O10 -","- C712 H752 Cl48 O160 -","16","4","","Chengyou Han; Zibin Zhang; Guocan Yu; Feihe Huang","Syntheses of a pillar[4]arene[1]quinone and a difunctionalized pillar[5]arene by partial oxidation","Chem.Commun.","2012","48","","9876","","10.1039/c2cc35498e","","","1.54184","CuKα","","0.0806","0.0654","","","0.1692","0.1838","","","","","","1.044","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7108402","14.3345","0.0008","9.0779","0.0004","9.9141","0.0006","90","","99.758","0.006","90","","1271.43","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Shaoxia Lin; Ying Wei; Fushun Liang","Cyanation of alpha,beta-unsaturated enones by malononitrile in open air under metal-catalyst-free conditions","Chem.Commun.","2012","48","","9879","","10.1039/c2cc35528k","","","0.71073","MoKα","","0.0722","0.0463","","","0.1032","0.1169","","","","","","1.035","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7108403","11.924","0.002","9.3396","0.0016","8.7683","0.0015","90","","91.294","0.002","90","","976.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F6 Ni S4 -","- C18 H10 F6 Ni S4 -","- C36 H20 F12 Ni2 S8 -","2","0.5","","Li Qu; Jingui Qin","A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors","Chem.Commun.","2012","48","","9965","","10.1039/c2cc33445c","","","0.71073","MoKα","","0.0656","0.0604","","","0.1688","0.176","","","","","","1.063","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108404","27.357","0.006","17.091","0.004","16.611","0.004","90","","103.722","0.003","90","","7545","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 F6 N Ni S4 -","- C34 H46 F6 N Ni S4 -","- C272 H368 F48 N8 Ni8 S32 -","8","1","","Li Qu; Jingui Qin","A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors","Chem.Commun.","2012","48","","9965","","10.1039/c2cc33445c","","","0.71073","MoKα","","0.0977","0.0509","","","0.1041","0.1261","","","","","","1.02","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108405","33.623","0.001","17.0023","0.0005","23.3618","0.0007","90","","105.93","0.003","90","","12842.3","0.7","173","2","173","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C120 H118 Ag2 Au6 B4 F16 N10 O P6 S2 -","- C120 H96 Ag2 Au6 B3.998 F16 N10 O P6 S2 -","- C480 H384 Ag8 Au24 B15.992 F64 N40 O4 P24 S8 -","4","0.5","","Li Qu; Jingui Qin","A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors","Chem.Commun.","2012","48","","9965","","10.1039/c2cc33445c","","","0.71073","MoKα","","0.0914","0.0395","","","0.0852","0.1181","","","","","","0.843","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108406","47.6833","0.0012","72.663","0.003","13.6472","0.0005","90","","90","","90","","47285","3","173","2","173","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C103 H85.5 Ag2 Au6 B4 F16 N6.5 P6 S2 -","- C103 H84 Ag2 Au6 B4 F16 N6.5 P6 S2 -","- C1648 H1344 Ag32 Au96 B64 F256 N104 P96 S32 -","16","1","","Li Qu; Jingui Qin","A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors","Chem.Commun.","2012","48","","9965","","10.1039/c2cc33445c","","","0.71073","MoKα","","0.0758","0.0499","","","0.1076","0.1125","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108407","14.5234","0.0004","14.6396","0.0004","28.6409","0.0006","75.378","0.002","89.089","0.002","67.769","0.002","5432.7","0.3","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C99 H86 Ag2 Au6 B4 F16 N12 O2 P6 S2 -","- C99 H78 Ag2 Au6 B4 F16 N12 O2 P6 S2 -","- C198 H156 Ag4 Au12 B8 F32 N24 O4 P12 S4 -","2","1","","Li Qu; Jingui Qin","A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors","Chem.Commun.","2012","48","","9965","","10.1039/c2cc33445c","","","0.71073","MoKα","","0.0589","0.0356","","","0.0777","0.0851","","","","","","0.93","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108408","13.4471","0.0003","22.4381","0.0007","18.2824","0.0005","90","","104.442","0.003","90","","5342","0.3","173","2","173","2","","","","","","","","10","P 1 2/c 1","-P 2yc","13","","","","- C97 H88 Ag2 Au6 B4 F16 N12 O4 P6 S2 -","- C97 H78 Ag2 Au6 B4 F16 N12 O4 P6 S2 -","- C194 H156 Ag4 Au12 B8 F32 N24 O8 P12 S4 -","2","0.5","","Li Qu; Jingui Qin","A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors","Chem.Commun.","2012","48","","9965","","10.1039/c2cc33445c","","","0.71073","MoKα","","0.1141","0.0667","","","0.0992","0.1133","","","","","","1.073","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108409","12.5105","0.001","16.4003","0.0013","19.026","0.0015","90.419","0.004","94.755","0.004","108.682","0.004","3682.9","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H66 Mo2 N24 Ni3 S12 -","- C57 H15 Mo2 N24 Ni3 S12 -","- C114 H30 Mo4 N48 Ni6 S24 -","2","1","","Maliheh Mousavi; Virginie Bereau; Carine Duhayon; Philippe Guionneau; Jean-Pascal Sutter","First Ferrimagnets Based on Thiocyanato-Bridges","Chem.Commun.","2012","48","","10028","","10.1039/c2cc33877g","","","0.71073","MoKα","","0.1254","0.0666","","0.112","0.0669","0.0669","","","","","","1.1302","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108410","10.283","0.0011","27.339","0.003","27.246","0.0016","90","","92.806","0.002","90","","7650.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 N9 O23 Zn4 -","- C34 H16 O15 Zn4 -","- C136 H64 O60 Zn16 -","4","1","","Zhongmin Su; Ya-Qian Lan; Wen-Wen He","Controllable synthesis of a non-interpenetrating microporous metal-organic framework based on octahedral cage-like building units for highly efficient reversible adsorption of iodine","Chem.Commun.","2012","48","","10001","","10.1039/c2cc34196d","","","0.71069","MoKα","","0.0739","0.0394","","","0.0719","0.0763","","","","","","0.777","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108411","30.585","0.012","30.585","0.012","30.585","0.012","90","","90","","90","","28611","19","110","2","110","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C23 H11 Cu2 N3 O11 -","- C23 H11 Cu2 N3 O11 -","- C552 H264 Cu48 N72 O264 -","24","0.25","","Jinhee Park; Jian-Rong Li; Ying-Pin Chen; Linbing Sun; Hong-Cai Zhou","A versatile metal-organic framework for carbon dioxide capture and cooperative catalysis","Chem.Commun.","2012","48","","9995","","10.1039/c2cc34622b","","","0.71073","MoKα","","0.1186","0.0914","","","0.1966","0.2125","","","","","","1.029","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108412","7.3908","0.0001","10.817","0.0002","22.6232","0.0004","90","","97.637","0.001","90","","1792.6","0.05","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 Br F5 N2 O -","- C15 H22 Br F5 N2 O -","- C60 H88 Br4 F20 N8 O4 -","4","1","","Michael Giese; Markus Albrecht; Tim Krappitz; Marius Peters; Verena Gossen; Gerhard Raabe; Arto Valkonen; Kari Rissanen","Cooperativity of H-bonding and anion-pi interaction in the binding of anions with neutral pi-acceptors","Chem.Commun.","2012","48","","9983","","10.1039/c2cc34748b","","","0.71073","MoKα","","0.0497","0.0351","","","0.0688","0.0734","","","","","","1.062","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108413","4.9394","0.0002","10.5985","0.0005","17.8123","0.0008","101.134","0.003","97.114","0.002","91.72","0.003","906.49","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H6 F10 N2 O2 -","- C20 H6 F10 N2 O2 -","- C40 H12 F20 N4 O4 -","2","1","","Michael Giese; Markus Albrecht; Tim Krappitz; Marius Peters; Verena Gossen; Gerhard Raabe; Arto Valkonen; Kari Rissanen","Cooperativity of H-bonding and anion-pi interaction in the binding of anions with neutral pi-acceptors","Chem.Commun.","2012","48","","9983","","10.1039/c2cc34748b","","","0.71073","MoKα","","0.106","0.0612","","","0.1198","0.1375","","","","","","1.065","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108414","5.3708","0.0002","7.2029","0.0003","16.9507","0.0008","96.461","0.002","93.246","0.002","110.029","0.002","608.98","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","1-Butylindeno(2,1-c)pyran-3,9-dione","1-Butylindeno[2,1-c]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","","Na Wu; Antonios Messinis; Andrei S. Batsanov; Zhen Yang; Andrew Whiting; Todd B. Marder","Palladium(II)-catalysed tandem cyclization of electron-deficient aromatic enynes","Chem.Commun.","2012","48","","9986","","10.1039/c2cc35114e","","x-ray","0.71073","MoKα","K-L~3~","0.0627","0.037","","","0.0827","0.0911","","","","","","0.959","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108415","12.2272","0.0014","14.8729","0.0017","6.6914","0.0008","90","","90","","90","","1216.9","0.2","120","","120","","","","","","","","","3","P b c m","-P 2c 2b","57","1-tert-butylindeno(2,1-c)pyran-3,9-dione","1-tert-butylindeno[2,1-c]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","0.5","","Na Wu; Antonios Messinis; Andrei S. Batsanov; Zhen Yang; Andrew Whiting; Todd B. Marder","Palladium(II)-catalysed tandem cyclization of electron-deficient aromatic enynes","Chem.Commun.","2012","48","","9986","","10.1039/c2cc35114e","","x-ray","0.71073","MoKα","K-L~3~","0.0698","0.0469","","","0.1029","0.1126","","","","","","1.044","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108416","5.2209","0.0005","10.1676","0.001","12.1963","0.0012","99.81","0.02","93.34","0.02","98.1","0.02","629.35","0.12","120","","120","","","","","","","","","3","P -1","-P 1","2","1-cyclopentyl-indeno(2,1-c)pyran-3,9-dione","1-cyclopentyl-indeno[2,1-c]pyran-3,9-dione","","- C17 H14 O3 -","- C17 H14 O3 -","- C34 H28 O6 -","2","1","","Na Wu; Antonios Messinis; Andrei S. Batsanov; Zhen Yang; Andrew Whiting; Todd B. Marder","Palladium(II)-catalysed tandem cyclization of electron-deficient aromatic enynes","Chem.Commun.","2012","48","","9986","","10.1039/c2cc35114e","","x-ray","0.71073","MoKα","K-L~3~","0.0547","0.0443","","","0.1163","0.1248","","","","","","1.038","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108417","10.5444","0.0003","16.3175","0.0005","10.4557","0.0003","90","","115.377","0.007","90","","1625.4","0.13","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ethyl 2-(2-(cyclohexylidenemethyl)-1-oxo-1H-inden-3-yl)acetate","ethyl 2-(2-(cyclohexylidenemethyl)-1-oxo-1H-inden-3-yl)acetate","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Na Wu; Antonios Messinis; Andrei S. Batsanov; Zhen Yang; Andrew Whiting; Todd B. Marder","Palladium(II)-catalysed tandem cyclization of electron-deficient aromatic enynes","Chem.Commun.","2012","48","","9986","","10.1039/c2cc35114e","","x-ray","0.71073","MoKα","K-L~3~","0.0539","0.0407","","","0.1061","0.1128","","","","","","1.048","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108418","3.7461","0.0004","32.774","0.003","10.2441","0.001","90","","99.745","0.004","90","","1239.6","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H10 O3 -","- C18 H10 O3 -","- C72 H40 O12 -","4","2","","Na Wu; Antonios Messinis; Andrei S. Batsanov; Zhen Yang; Andrew Whiting; Todd B. Marder","Palladium(II)-catalysed tandem cyclization of electron-deficient aromatic enynes","Chem.Commun.","2012","48","","9986","","10.1039/c2cc35114e","","x-ray","1.54188","CuKα","K-L~3~","0.1054","0.103","","","0.3259","0.3313","","","","","","3.018","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108419","9.59761","0.00016","11.88217","0.00018","23.8362","0.0004","90","","98.48","0.0016","90","","2688.57","0.08","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N6 O14 Tb Zn -","- C20 H23 N6 O14 Tb Zn -","- C80 H92 N24 O56 Tb4 Zn4 -","4","1","","Jerome Long; Remi Vallat; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; Yannick Guari; Joulia Larionova","A bifunctional luminescent single-ion magnet: towards correlation between luminescence studies and magnetic slow relaxation processes","Chem.Commun.","2012","48","","9974","","10.1039/c2cc35321k","","","0.7107","MoKα","","0.0182","0.0159","","","0.0336","0.0343","","","","","","1.162","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108420","7.7562","0.00016","19.244","0.0004","16.015","0.0003","90","","91.3111","0.0018","90","","2389.78","0.08","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Dy N5 O14 Zn -","- C18 H20 Dy N5 O14 Zn -","- C72 H80 Dy4 N20 O56 Zn4 -","4","1","","Jerome Long; Remi Vallat; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; Yannick Guari; Joulia Larionova","A bifunctional luminescent single-ion magnet: towards correlation between luminescence studies and magnetic slow relaxation processes","Chem.Commun.","2012","48","","9974","","10.1039/c2cc35321k","","","0.7107","MoKα","","0.0201","0.0163","","","0.0339","0.0348","","","","","","1.054","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108421","16.6727","0.0011","30.982","0.002","33.554","0.002","90","","90","","90","","17332.4","1.9","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C17 H21 Cu N2 O7.5 -","- C17 H16 Cu N2 O5 -","- C544 H512 Cu32 N64 O160 -","32","1","","Qingxiang Yang; Xingqiu Chen; Zhijun Chen; Ying Hao; Yizhi Li; Qingyi Lu; Hegen Zheng","Metal-organic frameworks constructed from flexible V-shaped ligands: adjustment of the topology, interpenetration and porosity via a solvent system","Chem.Commun.","2012","48","","10016","","10.1039/c2cc35340g","","","0.71073","MoKα","","0.0724","0.0618","","","0.1583","0.1667","","","","","","1.061","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108422","16.6307","0.0008","16.6307","0.0008","16.3071","0.0016","90","","90","","90","","4510.2","0.5","273","2","273","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C28 H22 Cu2 N2 O11.5 -","- C28 H19 Cu2 N2 O10 -","- C112 H76 Cu8 N8 O40 -","4","0.25","","Qingxiang Yang; Xingqiu Chen; Zhijun Chen; Ying Hao; Yizhi Li; Qingyi Lu; Hegen Zheng","Metal-organic frameworks constructed from flexible V-shaped ligands: adjustment of the topology, interpenetration and porosity via a solvent system","Chem.Commun.","2012","48","","10016","","10.1039/c2cc35340g","","","0.71073","MoKα","","0.0404","0.0358","","","0.0993","0.1023","","","","","","1.066","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108423","17.924","0.003","17.924","0.003","17.225","0.006","90","","90","","90","","5534","2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H13 Cu N O6 -","- C14 H13 Cu N O6 -","- C224 H208 Cu16 N16 O96 -","16","1","","Qingxiang Yang; Xingqiu Chen; Zhijun Chen; Ying Hao; Yizhi Li; Qingyi Lu; Hegen Zheng","Metal-organic frameworks constructed from flexible V-shaped ligands: adjustment of the topology, interpenetration and porosity via a solvent system","Chem.Commun.","2012","48","","10016","","10.1039/c2cc35340g","","","0.71073","MoKα","","0.0848","0.0577","","","0.1584","0.1745","","","","","","1.063","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108424","9.6447","0.0007","10.8414","0.0008","18.1742","0.0014","90","","90","","90","","1900.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Jie-Ping Wan; Charles C. J. Loh; Fangfang Pan; Dieter Enders","Enantioselective organocatalytic domino synthesis of tetrahydropyridin-2-ols","Chem.Commun.","2012","48","","10049","","10.1039/c2cc35644a","","","0.71073","MoKα","","0.0504","0.042","","","0.0892","0.093","","","","","","0.997","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108425","19.321","0.0017","9.8395","0.0008","17.5549","0.0016","90","","107.09","0.002","90","","3190","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N6 S4 -","- C36 H24 N6 S4 -","- C144 H96 N24 S16 -","4","0.5","","Gildas Gavrel; Pei Yu; Anne Leaustic; Regis Guillot; Remi Metivier; Keitaro Nakatani","4,4'-Bithiazole-based tetraarylenes: new photochromes with unique photoreactive patterns","Chem.Commun.","2012","48","","10111","","10.1039/c2cc35587f","","x-ray","0.71073","MoKα","","0.1178","0.0592","","","0.1422","0.1874","","","","","","1.022","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108426","9.7383","0.0015","11.8198","0.0017","15.4915","0.0019","93.571","0.003","106.219","0.003","112.544","0.003","1552.2","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 N5 O S3 -","- C37 H25 N5 O S3 -","- C74 H50 N10 O2 S6 -","2","1","","Gildas Gavrel; Pei Yu; Anne Leaustic; Regis Guillot; Remi Metivier; Keitaro Nakatani","4,4'-Bithiazole-based tetraarylenes: new photochromes with unique photoreactive patterns","Chem.Commun.","2012","48","","10111","","10.1039/c2cc35587f","","x-ray","0.71073","MoKα","","0.1596","0.0783","","","0.2025","0.2448","","","","","","1.054","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108427","11.9309","0.0006","13.5973","0.0007","19.9102","0.0009","90","","95.933","0.001","90","","3212.7","0.3","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N4 S4 -","- C38 H26 N4 S4 -","- C152 H104 N16 S16 -","4","1","","Gildas Gavrel; Pei Yu; Anne Leaustic; Regis Guillot; Remi Metivier; Keitaro Nakatani","4,4'-Bithiazole-based tetraarylenes: new photochromes with unique photoreactive patterns","Chem.Commun.","2012","48","","10111","","10.1039/c2cc35587f","","x-ray","0.71073","MoKα","","0.0638","0.0406","","","0.1001","0.1113","","","","","","1.024","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108428","16.6351","0.0001","4.84961","0.00003","17.47","0.0001","90","","101.355","0.0006","90","","1381.78","0.015","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Prasad Ganji; Hasim Ibrahim","The first asymmetric ring-expansion carbonylation of meso-epoxides","Chem.Commun.","2012","48","","10138","","10.1039/c2cc35596e","","","1.54184","CuKα","","0.0323","0.032","","","0.0791","0.0793","","","","","","1.019","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108429","9.3265","0.0001","5.9739","0.0001","34.571","0.003","90","","91.198","0.006","90","","1925.72","0.17","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O2 -","- C21 H32 N2 O2 -","- C84 H128 N8 O8 -","4","1","","Chenjie Zhu; Akira Yoshimura; Pavlo Solntsev; Lei Ji; Yunyang Wei; Victor N. Nemykin; Viktor V. Zhdankin","New highly soluble dimedone-derived iodonium ylides: preparation, X-ray structure, and reaction with carbodiimide leading to oxazole derivatives","Chem.Commun.","2012","48","","10108","","10.1039/c2cc35708a","","","1.54187","CuKα","","0.0509","0.0426","","0.0727","0.0632","0.0727","","","","","","0.9681","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108430","7.9997","0.0003","9.0944","0.0003","10.6971","0.0007","73.485","0.005","86.48","0.006","69.563","0.005","698.55","0.07","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 I O3 -","- C15 H17 I O3 -","- C30 H34 I2 O6 -","2","1","","Chenjie Zhu; Akira Yoshimura; Pavlo Solntsev; Lei Ji; Yunyang Wei; Victor N. Nemykin; Viktor V. Zhdankin","New highly soluble dimedone-derived iodonium ylides: preparation, X-ray structure, and reaction with carbodiimide leading to oxazole derivatives","Chem.Commun.","2012","48","","10108","","10.1039/c2cc35708a","","","0.71075","MoKα","","0.0159","0.0151","","0.0401","0.0397","0.0401","","","","","","0.9987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108431","28.076","0.002","16.5298","0.0013","7.16","0.0005","90","","90","","90","","3322.9","0.4","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 I O3 -","- C17 H21 I O3 -","- C136 H168 I8 O24 -","8","1","","Chenjie Zhu; Akira Yoshimura; Pavlo Solntsev; Lei Ji; Yunyang Wei; Victor N. Nemykin; Viktor V. Zhdankin","New highly soluble dimedone-derived iodonium ylides: preparation, X-ray structure, and reaction with carbodiimide leading to oxazole derivatives","Chem.Commun.","2012","48","","10108","","10.1039/c2cc35708a","","","0.71075","MoKα","","0.0462","0.0418","","0.0764","0.0762","0.0764","","","","","","1.2017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108432","23.198","0.005","15.455","0.003","34.046","0.01","90","","130.442","0.019","90","","9290","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terephthalate dianion_ 2 europium(iii)_19 H2O","","","- C78 H92 Eu2 N10 O39 -","- C78 H54 Eu2 N10 O23 -","- C312 H216 Eu8 N40 O92 -","4","1","","Han-Yuan Gong; Brett M. Rambo; Cory Nelson; Vincent M. Lynch; Xiaoyang Zhu; Jonathan L. Sessler","Rare-earth cation effects on three-dimensional metal-organic rotaxane framework (MORF) self assembly","Chem.Commun.","2012","48","","10186","10188","10.1039/C2CC34200F","","","0.71073","MoKα","","0.1312","0.0856","","","0.1906","0.2092","","","","","","1.007","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108433","11.649","0.002","16.833","0.003","25.515","0.005","99.17","0.03","101.55","0.03","93.41","0.03","4817.6","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terephthalate dianion_ 2 neodymium(iii)_21 H2O","","","- C78 H96 N10 Nd2 O41 -","- C78 H54 N10 Nd2 O41 -","- C156 H108 N20 Nd4 O82 -","2","1","","Han-Yuan Gong; Brett M. Rambo; Cory Nelson; Vincent M. Lynch; Xiaoyang Zhu; Jonathan L. Sessler","Rare-earth cation effects on three-dimensional metal-organic rotaxane framework (MORF) self assembly","Chem.Commun.","2012","48","","10186","10188","10.1039/C2CC34200F","","","0.71073","MoKα","","0.1254","0.0985","","","0.222","0.2429","","","","","","1.009","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108434","24.003","0.005","11.365","0.002","32.883","0.007","90","","97.17","0.03","90","","8900","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terepht","","","- C81 H94 N11 O37.5 Sm2 -","- C81 H61 N11 O37.5 Sm2 -","- C324 H244 N44 O150 Sm8 -","4","1","","Han-Yuan Gong; Brett M. Rambo; Cory Nelson; Vincent M. Lynch; Xiaoyang Zhu; Jonathan L. Sessler","Rare-earth cation effects on three-dimensional metal-organic rotaxane framework (MORF) self assembly","Chem.Commun.","2012","48","","10186","10188","10.1039/C2CC34200F","","","0.71073","MoKα","","0.0804","0.0664","","","0.2129","0.2311","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108435","23.896","0.005","11.35","0.002","32.793","0.007","90","","97.64","0.03","90","","8815","3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_ 5 terepht","","","- C79.5 H81.5 N10.5 O32.5 Tb2 -","- C79.5 H54 N10.5 O32.5 Tb2 -","- C318 H216 N42 O130 Tb8 -","4","1","","Han-Yuan Gong; Brett M. Rambo; Cory Nelson; Vincent M. Lynch; Xiaoyang Zhu; Jonathan L. Sessler","Rare-earth cation effects on three-dimensional metal-organic rotaxane framework (MORF) self assembly","Chem.Commun.","2012","48","","10186","10188","10.1039/C2CC34200F","","","0.71073","MoKα","","0.1493","0.0774","","","0.1876","0.241","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108436","12.4703","0.0006","13.2242","0.0007","14.7781","0.0007","98.752","0.002","110.602","0.003","97.307","0.003","2211.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Co O5 P -","- C54 H50 Co O5 P -","- C108 H100 Co2 O10 P2 -","2","1","","Jahangir Amin; Christopher J. Richards","Diastereoselective synthesis of half-sandwich chiral-at-metal cobaltacycles by oxidative cyclisation","Chem.Commun.","2012","48","","10192","","10.1039/c2cc34837c","","","0.71073","MoKα","","0.1706","0.066","","","0.1295","0.1606","","","","","","1.014","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108437","12.9334","0.0003","13.7437","0.0004","21.5542","0.0006","90","","103.477","0.002","90","","3725.82","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H37 Co F3 O2 P -","- C49 H37 Co F3 O2 P -","- C196 H148 Co4 F12 O8 P4 -","4","1","","Jahangir Amin; Christopher J. Richards","Diastereoselective synthesis of half-sandwich chiral-at-metal cobaltacycles by oxidative cyclisation","Chem.Commun.","2012","48","","10192","","10.1039/c2cc34837c","","","0.71073","MoKα","","0.0899","0.0557","","","0.1231","0.1381","","","","","","1.021","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108438","7.102","0.003","15.819","0.007","18.669","0.009","90","","90","","90","","2097.4","1.6","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C29 H47 Cu N13 O9 -","- C21 H12 Cu N13 O -","- C42 H24 Cu2 N26 O2 -","2","0.25","","Gao-Chao Lv; Peng Wang; Qing Liu; Jian Fan; Kai Chen; Wei-Yin Sun","Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations","Chem.Commun.","2012","48","","10249","","10.1039/c2cc35456j","","","0.71073","MoKα","","0.0865","0.0761","","","0.2195","0.2337","","","","","","0.892","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108439","31.337","0.013","38.203","0.016","7.079","0.003","90","","90","","90","","8475","6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C34 H59 Cu N13 O10 S3 -","- C23 H12 Cu N13 O S -","- C184 H96 Cu8 N104 O8 S8 -","8","0.5","","Gao-Chao Lv; Peng Wang; Qing Liu; Jian; Fan; Kai Chen; Wei-Yin Sun","Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations","Chem.Commun.","2012","48","","10249","","10.1039/c2cc35456j","","","0.71073","MoKα","","0.1592","0.1248","","","0.2856","0.3027","","","","","","1.029","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108440","31.552","0.006","37.319","0.007","7.1146","0.0014","90","","90","","90","","8377","3","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C30 H43 Cu N13 O6 S3 -","- C22 H12 Cu N13 O -","- C176 H96 Cu8 N104 O8 -","8","0.5","","Gao-Chao Lv; Peng Wang; Qing Liu; Jian; Fan; Kai Chen; Wei-Yin Sun","Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations","Chem.Commun.","2012","48","","10249","","10.1039/c2cc35456j","","","0.71073","MoKα","","0.0833","0.0692","","","0.2084","0.2241","","","","","","0.947","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108441","7.067","0.002","15.675","0.005","18.811","0.007","90","","90","","90","","2083.8","1.2","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C29 H45 Cu N13 O8 -","- C22 H12 Cu N13 O -","- C44 H24 Cu2 N26 O2 -","2","0.25","","Gao-Chao Lv; Peng Wang; Qing Liu; Jian; Fan; Kai Chen; Wei-Yin Sun","Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations","Chem.Commun.","2012","48","","10249","","10.1039/c2cc35456j","","","0.71073","MoKα","","0.0718","0.0496","","","0.124","0.1291","","","","","","0.874","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108442","7.634","0.0005","33.9056","0.0019","11.213","0.0007","90","","99.018","0.003","90","","2866.4","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H9 B Cl F15 -","- C32 H9 B Cl F15 -","- C128 H36 B4 Cl4 F60 -","4","1","","Xiaoxi Zhao; Liyuan Liang; Douglas W. Stephan","Facile synthesis of electrophilic vinyl boranes: reactions of alkynyl-borates and diazonium salts","Chem.Commun.","2012","48","","10189","","10.1039/c2cc35553a","","","0.71073","MoKα","","0.1563","0.0687","","","0.1555","0.1927","","","","","","1.039","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108443","10.7455","0.0005","16.6985","0.0007","18.411","0.0009","90","","92.803","0.002","90","","3299.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H15 B Cl F18 -","- C36 H15 B Cl F18 -","- C144 H60 B4 Cl4 F72 -","4","1","","Xiaoxi Zhao; Liyuan Liang; Douglas W. Stephan","Facile synthesis of electrophilic vinyl boranes: reactions of alkynyl-borates and diazonium salts","Chem.Commun.","2012","48","","10189","","10.1039/c2cc35553a","","","0.71073","MoKα","","0.0691","0.0499","","","0.1313","0.1561","","","","","","0.647","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108444","12.2093","0.0004","13.0466","0.0004","22.3254","0.0007","90","","105.05","0.002","90","","3434.23","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H13 B Cl2 F18 O -","- C35 H13 B Cl2 F18 O -","- C140 H52 B4 Cl8 F72 O4 -","4","1","","Xiaoxi Zhao; Liyuan Liang; Douglas W. Stephan","Facile synthesis of electrophilic vinyl boranes: reactions of alkynyl-borates and diazonium salts","Chem.Commun.","2012","48","","10189","","10.1039/c2cc35553a","","","0.71073","MoKα","","0.0927","0.0669","","","0.1887","0.2139","","","","","","1.043","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108445","7.5139","0.0003","11.1798","0.0005","15.9807","0.0007","90","","90","","90","","1342.44","0.1","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C48 H56 N8 O24 -","8","2","","Christian Wiegand; Eberhardt Herdtweck; Thorsten Bach","Enantioselectivity in visible light-induced, singlet oxygen [2+4] cycloaddition reactions (type II photooxygenations) of 2-pyridones","Chem.Commun.","2012","48","","10195","","10.1039/c2cc35621j","","","1.5418","CuKα","","0.0288","0.0272","","","0.0778","0.0792","","","","","","1.042","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108446","15.7564","0.001","18.3526","0.0013","20.8596","0.0014","88.724","0.001","78.974","0.002","86.059","0.001","5906.4","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H124 B50 Cl34 P10 Pd8 -","- C35 H106 B50 Cl16 P10 Pd8 -","- C70 H212 B100 Cl32 P20 Pd16 -","2","1","","Ilham Maulana; Peter Lonnecke; Evamarie Hey-Hawkins","Multinuclear palladium(II) complexes from P-C and P-Cl bond cleavage in (RP,RP/SP,SP)-[PdCl2{1,2-(PtBuCl)2C2B10H10}]","Chem.Commun.","2012","48","","10231","","10.1039/c2cc35939a","","","0.71073","MoKα","","0.1391","0.0872","","","0.2212","0.2411","","","","","","1.022","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108447","18.419","0.003","21.459","0.003","35.595","0.005","90","","100.058","0.003","90","","13853","4","207","2","207","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H124 B60 Cl28 P12 Pd9 -","- C41 H124 B60 Cl28 P12 Pd9 -","- C164 H496 B240 Cl112 P48 Pd36 -","4","1","","Ilham Maulana; Peter Lonnecke; Evamarie Hey-Hawkins","Multinuclear palladium(II) complexes from P-C and P-Cl bond cleavage in (RP,RP/SP,SP)-[PdCl2{1,2-(PtBuCl)2C2B10H10}]","Chem.Commun.","2012","48","","10231","","10.1039/c2cc35939a","","","0.71073","MoKα","","0.1209","0.08","","","0.1583","0.1734","","","","","","1.133","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108448","25.3631","0.0009","20.7112","0.0007","28.6263","0.0009","90","","90","","90","","15037.4","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H105 N2 O17 S V4 -","- C62 H105 N2 O17 S V4 -","- C496 H840 N16 O136 S8 V32 -","8","1","","Samir Ghorai; Chandan Mukherjee","Ortho-substituent induced triradical-containing tetranuclear oxo-vanadium(IV) cluster formation via ligand C-N bond breaking and C-O bond making","Chem.Commun.","2012","48","","10180","","10.1039/c2cc35963d","","","0.71073","MoKα","","0.1128","0.0618","","","0.1365","0.1524","","","","","","1.274","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7108449","13.728","0.0009","19.597","0.0013","25.876","0.0013","90","","90","","90","","6961.4","0.7","200","2","200","2","","","","","","","Crystals formed by slow diffusion from the reaction of Fe7a(MeOH)with bpea in methanol.","5","I 2 2 2","I 2 2","23","Fe7abpea","","","- C30 H42.5 Fe N4 O8.25 -","- C30.06 H28.9 Fe N4 O8.26 -","- C240.48 H231.2 Fe8 N32 O66.08 -","8","1","","Wolfgang Bauer; Stephan Schlamp; Birgit Weber","A Ladder type Iron(II) Coordination Polymer with Cooperative Spin Transition","Chem.Commun.","2012","48","","10222","","10.1039/c2cc35109a","","","0.71073","MoKα","","0.2688","0.0857","","","0.204","0.2841","","","","","","0.98","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108450","11.3589","0.0004","12.1538","0.0004","15.8856","0.0005","76.9762","0.0016","80.6313","0.0016","71.9949","0.0016","2021.73","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 Cu2 N4 O2 -","- C44 H56 Cu2 N4 O2 -","- C88 H112 Cu4 N8 O4 -","2","1","","Todd J. J. Whitehorne; Frank Schaper","Nacnac BnCuOiPr: a strained geometry resulting in very high lactide polymerization activity","Chem.Commun.","2012","48","","10334","","10.1039/c2cc34247b","","","1.54178","CuKα","","0.0826","0.0595","","","0.159","0.1694","","","","","","1.117","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108451","26.436","0.0004","26.115","0.0004","26.3473","0.0004","90","","90","","90","","18189.5","0.5","103","2","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C117 H133 N27 O47 Zn8 -","- C117 H133 N27 O47 Zn8 -","- C468 H532 N108 O188 Zn32 -","4","0.5","","Xiao-Jun Wang; Pei-Zhou Li; Lei Liu; Quan Zhang; Parijat Borah; Jinye Daniel Wong; Xiu Xiang Chan; Ganguly Rakesh; Yongxin Li; Yanli Zhao","Significant gas uptake enhancement by post-exchange of zinc(II) with copper(II) within a metal-organic framework","Chem.Commun.","2012","48","","10286","","10.1039/c2cc34921c","","","0.71073","MoKα","","0.0957","0.0633","","","0.1905","0.2056","","","","","","1.034","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108452","22.1233","0.0008","22.1233","0.0008","22.1233","0.0008","90","","90","","90","","10828","0.7","100","","100","","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C162 H144 Fe4 N36 O22 S4 -","- C162 H144 Fe4 N36 O22 S4 -","- C324 H288 Fe8 N72 O44 S8 -","2","0.0833333","","Song Yi; Valentina Brega; Burjor Captain; Angel E. Kaifer","Sulfate-templated self-assembly of new M4L6 tetrahedral metal organic cages","Chem.Commun.","2012","48","","10295","","10.1039/c2cc35095e","","","0.71073","MoKα","","0.0802","0.0778","","","0.2187","0.2216","","","","","","1.109","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108453","25.0734","0.0012","25.0734","0.0012","19.3734","0.0009","90","","90","","120","","10547.8","0.9","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C162 H144 N36 Ni4 O10 S -","- C162 H144 N36 Ni4 O10 S -","- C324 H288 N72 Ni8 O20 S2 -","2","0.333333","","Song Yi; Valentina Brega; Burjor Captain; Angel E. Kaifer","Sulfate-templated self-assembly of new M4L6 tetrahedral metal organic cages","Chem.Commun.","2012","48","","10295","","10.1039/c2cc35095e","","","0.71073","MoKα","","0.0832","0.0593","","","0.1634","0.1754","","","","","","1.013","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108454","6.4103","0.0008","9.9437","0.0012","10.5905","0.0013","113.766","0.002","90.148","0.002","97.772","0.002","610.93","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Anthraquinone Derivative","","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","","Harinath Chakrapani; Allimuthu T. Dharmaraja","Design, synthesis and evaluation of small molecule reactive oxygen species generators as selective Mycobacterium tuberculosis inhibitors","Chem.Commun.","2012","48","","10325","","10.1039/c2cc35343a","","","0.71073","MoKα","","0.0418","0.0388","","","0.1123","0.1158","","","","","","1.045","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7108455","10.572","0.001","12.13","0.001","14.836","0.001","101.006","0.001","103.841","0.001","98.418","0.001","1776.1","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cl3 Ir N2 -","- C40 H42 Cl3 Ir N2 -","- C80 H84 Cl6 Ir2 N4 -","2","1","","Wissam Iali; Frederic La Paglia; Xavier-Frederic Le Goff; Dusan Sredojevic; Michel Pfeffer; Jean-Pierre Djukic","Room temperature tandem hydroamination and hydrosilation/protodesilation catalysis by a tricarbonylchromium-bound iridacycle","Chem.Commun.","2012","48","","10310","","10.1039/c2cc35520e","","","0.71069","MoKα","","0.0261","0.0249","","","0.0611","0.0624","","","","","","1.046","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108456","37.4262","0.0012","8.961","0.0003","28.2529","0.0016","90","","130.296","0.001","90","","7227","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H55 Cl9 Cu2 N16 -","- C75 H54 Cl9 Cu2 N16 -","- C300 H216 Cl36 Cu8 N64 -","4","0.5","","Antoine Beziau; Stephane A. Baudron; Dmitry Pogozhev; Audrey Fluck; Mir Wais Hosseini","Stepwise construction of grid-type Cu(II)/Cd(II) heterometallic MOFs based on an imidazole-appended dipyrrin ligand","Chem.Commun.","2012","48","","10313","","10.1039/c2cc35543d","","","0.71073","MoKα","","0.0835","0.0618","","","0.1464","0.1668","","","","","","1.031","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108457","14.5401","0.0004","30.0895","0.0011","19.4195","0.0005","90","","97.736","0.001","90","","8418.8","0.4","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C75 H59 Cd Cl2 Cu2 N17 O -","- C75 H59 Cd Cl2 Cu2 N17 O -","- C300 H236 Cd4 Cl8 Cu8 N68 O4 -","4","0.5","","Antoine Beziau; Stephane A. Baudron; Dmitry Pogozhev; Audrey Fluck; Mir Wais Hosseini","Stepwise construction of grid-type Cu(II)/Cd(II) heterometallic MOFs based on an imidazole-appended dipyrrin ligand","Chem.Commun.","2012","48","","10313","","10.1039/c2cc35543d","","","0.71073","MoKα","","0.0542","0.0459","","","0.134","0.1377","","","","","","1.108","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108458","23.1765","0.0008","29.624","0.0009","14.4219","0.0004","90","","121.958","0.001","90","","8401","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H52 Cd Cu2 N18 S2 -","- C74 H52 Cd Cu2 N18 S2 -","- C296 H208 Cd4 Cu8 N72 S8 -","4","0.5","","Antoine Beziau; Stephane A. Baudron; Dmitry Pogozhev; Audrey Fluck; Mir Wais Hosseini","Stepwise construction of grid-type Cu(II)/Cd(II) heterometallic MOFs based on an imidazole-appended dipyrrin ligand","Chem.Commun.","2012","48","","10313","","10.1039/c2cc35543d","","","0.71073","MoKα","","0.0464","0.0351","","","0.1012","0.106","","","","","","1.074","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108459","17.1227","0.0014","17.1227","0.0014","17.1227","0.0014","90","","90","","90","","5020.2","0.7","150","2","150","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C52 H46 N2 O21 Zn4 -","- C42 H24 O19 Zn4 -","- C42 H24 O19 Zn4 -","1","0.0416667","","Damien Rankine; Antonio Avellaneda; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Control of framework interpenetration for in situ modified hydroxyl functionalised IRMOFs","Chem.Commun.","2012","48","","10328","","10.1039/c2cc35565e","","","0.7107","MoKα","","0.1875","0.1047","","","0.2494","0.2882","","","","","","0.832","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108460","23.5302","0.0008","23.5302","0.0008","31.511","0.0014","90","","90","","120","","15109.3","1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C97 H72.33 N0.33 O38.33 Zn8 -","- C96 H72 O38 Zn8 -","- C288 H216 O114 Zn24 -","3","0.0833333","","Damien Rankine; Antonio Avellaneda; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Control of framework interpenetration for in situ modified hydroxyl functionalised IRMOFs","Chem.Commun.","2012","48","","10328","","10.1039/c2cc35565e","","","0.7107","MoKα","","0.0735","0.0476","","","0.1197","0.1279","","","","","","1.121","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108461","18.738","0.007","11.95","0.005","16.831","0.007","90","","93.958","0.009","90","","3760","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br2 O3 -","- C22 H16 Br2 O3 -","- C176 H128 Br16 O24 -","8","1","","Igor Magedov; Nikolai Evdokimov; Menuka Karki; Amanda Peretti; Dustin Lima; Lilia Frolova; Mary Reisenauer; Anntherese Romero; Paul Tongwa; Alexandr Fonari; Jeff Altig; Snezna Rogelj; Mikhail Antipin; Charles Shuster; Alexander Kornienko","Reengineered epipodophyllotoxin","Chem.Commun.","2012","48","","10416","","10.1039/c2cc35044k","","","0.71073","MoKα","","0.0896","0.0506","","","0.1002","0.1183","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108462","7.1515","0.0013","10.698","0.002","24.15","0.004","90","","90","","90","","1847.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br2 O2 -","- C22 H18 Br2 O2 -","- C88 H72 Br8 O8 -","4","1","","Igor Magedov; Nikolai Evdokimov; Menuka Karki; Amanda Peretti; Dustin Lima; Lilia Frolova; Mary Reisenauer; Anntherese Romero; Paul Tongwa; Alexandr Fonari; Jeff Altig; Snezna Rogelj; Mikhail Antipin; Charles Shuster; Alexander Kornienko","Reengineered epipodophyllotoxin","Chem.Commun.","2012","48","","10416","","10.1039/c2cc35044k","","","0.71073","MoKα","","0.0299","0.0245","","","0.054","0.0558","","","","","","1.032","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108463","9.0997","0.0012","13.8505","0.0018","16.388","0.002","90.673","0.002","96.255","0.002","96.812","0.002","2038","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H37 Br4 Cl3 O4 -","- C45 H37 Br4 Cl3 O4 -","- C90 H74 Br8 Cl6 O8 -","2","1","","Igor Magedov; Nikolai Evdokimov; Menuka Karki; Amanda Peretti; Dustin Lima; Lilia Frolova; Mary Reisenauer; Anntherese Romero; Paul Tongwa; Alexandr Fonari; Jeff Altig; Snezna Rogelj; Mikhail Antipin; Charles Shuster; Alexander Kornienko","Reengineered epipodophyllotoxin","Chem.Commun.","2012","48","","10416","","10.1039/c2cc35044k","","","0.71073","MoKα","","0.0428","0.0301","","","0.0715","0.0782","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108464","9.3082","0.0016","9.6832","0.0016","18.648","0.003","93.263","0.002","93.496","0.002","118.181","0.002","1471.8","0.4","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H53 N2 P Pd -","- C29 H53 N2 P Pd -","- C58 H106 N4 P2 Pd2 -","2","1","","Jurgen Bauer; Holger Braunschweig; Krzysztof Radacki","Transmetallation between Metal-Only Lewis Pairs: a new rhodium alane complex","Chem.Commun.","2012","48","","10407","","10.1039/c2cc35248f","","","0.71073","MoKα","","0.0339","0.0293","","","0.0784","0.0854","","","","","","1.066","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108465","11.287","0.005","15.825","0.006","23.361","0.009","102.135","0.006","101.692","0.006","90.413","0.007","3989","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H73 Cd3 N3 O24 -","- C64 H73 Cd3 N3 O24 -","- C128 H146 Cd6 N6 O48 -","2","1","","Fei-Yan Yi; Jian Zhang; Hai-Xia Zhang; Zhong-Ming Sun","Chiral transformations of achiral porous metal-organic frameworks via a stepwise approach","Chem.Commun.","2012","48","","10419","","10.1039/c2cc35399g","","","0.71073","MoKα","","0.1968","0.0973","","","0.255","0.3175","","","","","","1.011","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108466","24.728","0.003","10.9381","0.0013","34.326","0.004","90","","99.917","0.002","90","","9145.7","1.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H79 Co3 N8 O27 -","- C84 H58 Co3 N8 O27 -","- C336 H232 Co12 N32 O108 -","4","0.5","","Fei-Yan Yi; Jian Zhang; Hai-Xia Zhang; Zhong-Ming Sun","Chiral transformations of achiral porous metal-organic frameworks via a stepwise approach","Chem.Commun.","2012","48","","10419","","10.1039/c2cc35399g","","","0.71073","MoKα","","0.1022","0.0635","","","0.179","0.2074","","","","","","1.003","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108467","9.3592","0.0014","15.488","0.002","16.108","0.003","78.217","0.002","78.133","0.002","84.16","0.002","2232.5","0.6","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C72 H59 Cd3 N7 O20 -","- C70 H52 Cd3 N6 O20 -","- C70 H52 Cd3 N6 O20 -","1","1","","Fei-Yan Yi; Jian Zhang; Hai-Xia Zhang; Zhong-Ming Sun","Chiral transformations of achiral porous metal-organic frameworks via a stepwise approach","Chem.Commun.","2012","48","","10419","","10.1039/c2cc35399g","","","0.71073","MoKα","","0.0592","0.0509","","","0.1437","0.1524","","","","","","1.053","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108468","15.061","0.008","28.353","0.016","17.069","0.01","90","","100.653","0.009","90","","7163","7","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H60 Co3 N7 O21 -","- C72 H52 Co3 N7 O21 -","- C144 H104 Co6 N14 O42 -","2","1","","Fei-Yan Yi; Jian Zhang; Hai-Xia Zhang; Zhong-Ming Sun","Chiral transformations of achiral porous metal-organic frameworks via a stepwise approach","Chem.Commun.","2012","48","","10419","","10.1039/c2cc35399g","","","0.71073","MoKα","","0.1554","0.1035","","","0.2847","0.326","","","","","","1.012","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108469","16.965","0.007","28.706","0.011","14.825","0.01","90","","102.49","0.005","90","","7049","6","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H52 Co3 N8 O24 -","- C74 H52 Co3 N8 O22 -","- C148 H104 Co6 N16 O44 -","2","0.5","","Fei-Yan Yi; Jian Zhang; Hai-Xia Zhang; Zhong-Ming Sun","Chiral transformations of achiral porous metal-organic frameworks via a stepwise approach","Chem.Commun.","2012","48","","10419","","10.1039/c2cc35399g","","","0.71073","MoKα","","0.1237","0.0789","","","0.2062","0.2351","","","","","","1.057","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108470","10.202","0.002","9.535","0.002","11.98","0.003","90","","107.648","0.003","90","","1110.5","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Cu2 N4 -","- C20 H38 Cu2 N4 -","- C40 H76 Cu4 N8 -","2","0.5","","Jason P. Coyle; Agnieszka Kurek; Peter J. Pallister; Eric R. Sirianni; Glenn P. A. Yap; Sean T. Barry","Preventing thermolysis: precursor design for volatile copper compounds","Chem.Commun.","2012","48","","10440","","10.1039/c2cc35415b","","","0.71073","MoKα","","0.0337","0.0302","","","0.083","0.086","","","","","","1.05","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108471","10.2185","0.0003","10.6113","0.0004","19.2717","0.0007","90","","104.176","0.014","90","","2026.03","0.17","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N P Pd -","- C24 H24 N P Pd -","- C96 H96 N4 P4 Pd4 -","4","1","","Luke Tuxworth; Lise Baiget; Andreas Phanopoulos; Owen J. Metters; Andrei S. Batsanov; Mark A. Fox; Judith A. K. Howard; Philip W. Dyer","Phosphine-alkene ligand-mediated alkyl-alkyl and alkyl-halide elimination processes from palladium(II)","Chem.Commun.","2012","48","","10413","","10.1039/c2cc35623f","","x-ray","0.71073","MoKα","K-L~3~","0.0546","0.0313","","","0.0578","0.0628","","","","","","0.888","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108472","11.9327","0.0006","12.2787","0.0006","13.2937","0.0006","70.057","0.007","74.12","0.007","81.517","0.007","1757.92","0.17","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N2 P2 Pd -","- C44 H36 N2 P2 Pd -","- C88 H72 N4 P4 Pd2 -","2","1","","Luke Tuxworth; Lise Baiget; Andreas Phanopoulos; Owen J. Metters; Andrei S. Batsanov; Mark A. Fox; Judith A. K. Howard; Philip W. Dyer","Phosphine-alkene ligand-mediated alkyl-alkyl and alkyl-halide elimination processes from palladium(II)","Chem.Commun.","2012","48","","10413","","10.1039/c2cc35623f","","x-ray","0.71073","MoKα","K-L~3~","0.048","0.0355","","","0.0839","0.0884","","","","","","1.003","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108473","7.1632","0.0018","18.563","0.004","15.136","0.004","90","","90.1","0.02","90","","2012.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N2 O8 -","- C18 H26 N2 O8 -","- C72 H104 N8 O32 -","4","1","","Xu-Hui Jin; Cai-Xia Ren; Jian-Ke Sun; Xue-Jun Zhou; Li-Xuan Cai; Jie Zhang","Reversible luminescence switching between single and dual emissions of bipyridinium-type organic crystals","Chem.Commun.","2012","48","","10422","","10.1039/c2cc35685f","","","0.71073","MoKα","","0.0731","0.0593","","","0.1692","0.1906","","","","","","1.098","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108474","7.338","0.007","23.989","0.019","9.246","0.008","90","","110.977","0.016","90","","1520","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Xu-Hui Jin; Cai-Xia Ren; Jian-Ke Sun; Xue-Jun Zhou; Li-Xuan Cai; Jie Zhang","Reversible luminescence switching between single and dual emissions of bipyridinium-type organic crystals","Chem.Commun.","2012","48","","10422","","10.1039/c2cc35685f","","","0.71073","MoKα","","0.0802","0.0514","","","0.1281","0.1449","","","","","","1.048","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108475","10.8154","0.0005","9.7255","0.0004","14.9356","0.0007","90","","91.808","0.001","90","","1570.22","0.12","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl N O3 S -","- C15 H18 Cl N O3 S -","- C60 H72 Cl4 N4 O12 S4 -","4","1","","Bagineni Prasad; Raju Adepu; Sandhya Sandra; D. Rambabu; G. Rama Krishna; C. Malla Reddy; Girdhar Singh Deora; Parimal Misra; Manojit Pal","AlCl3 mediated unexpected migration of sulfonyl groups: regioselective synthesis of 7-sulfonyl indoles of potential pharmacological interest","Chem.Commun.","2012","48","","10434","","10.1039/c2cc35757g","","","0.71073","MoKα","","0.0448","0.0355","","","0.0914","0.0997","","","","","","1.03","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108476","14.3019","0.0005","9.7509","0.0003","30.292","0.0009","90","","92.644","0.001","90","","4219.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H142 Cl4 F2 P4 Pb2 Pt2 -","- C84 H142 Cl4 F2 P4 Pb2 Pt2 -","- C168 H284 Cl8 F4 P8 Pb4 Pt4 -","2","0.5","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Krzysztof Radacki","Unsupported Lewis Pairs with Stable and Frustrated Pt-Pb Dative Bonds","Chem.Commun.","2012","48","","10410","","10.1039/c2cc35777a","","","0.71073","MoKα","","0.0246","0.0213","","","0.0459","0.0469","","","","","","1.07","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108477","14.05","0.003","21.093","0.004","25.981","0.004","76.586","0.007","85.326","0.007","78.035","0.008","7322","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H132 Cl2 P4 Pb Pt2 -","- C72 H132 Cl2 P4 Pb Pt2 -","- C288 H528 Cl8 P16 Pb4 Pt8 -","4","2","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Krzysztof Radacki","Unsupported Lewis Pairs with Stable and Frustrated Pt-Pb Dative Bonds","Chem.Commun.","2012","48","","10410","","10.1039/c2cc35777a","","","0.71073","MoKα","","0.0459","0.0281","","","0.0537","0.0589","","","","","","1.038","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108478","8.0433","0.0002","15.1139","0.0003","11.092","0.0002","90","","95.451","0.001","90","","1342.31","0.05","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","WAP506","","","- C27 H35 B O6 S2 -","- C27 H35 B O6 S2 -","- C54 H70 B2 O12 S4 -","2","1","","Diego Cardenas; Elena Bunuel; Virtudes Pardo-Rodriguez; Daniel Collado-Sanz","Pd-catalyzed borylative cyclisation of 1,7-enynes","Chem.Commun.","2012","48","","10517","","10.1039/c2cc34468h","","","0.71073","MoKα","","0.059","0.0486","","","0.1277","0.1421","","","","","","1.014","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108479","12.4977","0.0005","20.3568","0.0008","10.5584","0.0005","90","","96.757","0.002","90","","2667.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 B O6 S2 -","- C27 H35 B O6 S2 -","- C108 H140 B4 O24 S8 -","4","1","","Diego Cardenas; Elena Bunuel; Virtudes Pardo-Rodriguez; Daniel Collado-Sanz","Pd-catalyzed borylative cyclisation of 1,7-enynes","Chem.Commun.","2012","48","","10517","","10.1039/c2cc34468h","","","0.71073","MoKα","","0.1278","0.0952","","","0.2551","0.2907","","","","","","1.035","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108480","7.7579","0.0016","8.6433","0.0016","10.536","0.002","92.62","0.016","92.898","0.017","114.618","0.019","639.7","0.2","293","","293","","","","","","","","see text","5","P -1","-P 1","2","fenobam monohydrate","","","- C11 H13 Cl N4 O3 -","- C11 H13 Cl N4 O3 -","- C22 H26 Cl2 N8 O6 -","2","1","","Sajesh P. Thomas; K. Nagarajan; T. N. Guru Row","Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities","Chem.Commun.","2012","48","","10559","","10.1039/c2cc34912d","","x-ray","0.71073","MoKα","","0.0644","0.0496","","","0.1272","0.1413","","","","","","1.077","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108481","9.8299","0.0015","11.4813","0.0019","11.6916","0.0015","105.93","0.013","97.779","0.012","104.196","0.013","1200.7","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","fenobam hemihydrate","","","- C11 H12 Cl N4 O2.5 -","- C11 H12 Cl N4 O2.5 -","- C44 H48 Cl4 N16 O10 -","4","2","","Sajesh P. Thomas; K. Nagarajan; T. N. Guru Row","Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities","Chem.Commun.","2012","48","","10559","","10.1039/c2cc34912d","","x-ray","0.71073","MoKα","","0.1148","0.0707","","","0.1924","0.215","","","","","","1.052","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108482","12.8327","0.0014","7.6792","0.0014","11.9725","0.0014","90","","101.188","0.009","90","","1157.4","0.3","296","","296","","","","","","","","see text","5","C 1 c 1","C -2yc","9","fenobam","","","- C11 H11 Cl N4 O2 -","- C11 H11 Cl N4 O2 -","- C44 H44 Cl4 N16 O8 -","4","1","","Sajesh P. Thomas; K. Nagarajan; T. N. Guru Row","Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities","Chem.Commun.","2012","48","","10559","","10.1039/c2cc34912d","","x-ray","0.71073","MoKα","","0.0286","0.0261","","","0.0604","0.0618","","","","","","1.035","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108483","9.892","0.0007","9.5113","0.0007","12.8459","0.0009","90","","101.984","0.008","90","","1182.28","0.15","293","2","293","2","","","","","","","see text","5","P 1 2/n 1","-P 2yac","13","fenobam","","","- C11 H11 Cl N4 O2 -","- C11 H11 Cl N4 O2 -","- C44 H44 Cl4 N16 O8 -","4","1","","Sajesh P. Thomas; K. Nagarajan; T. N. Guru Row","Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities","Chem.Commun.","2012","48","","10559","","10.1039/c2cc34912d","","x-ray","0.71073","MoKα","","0.1155","0.0638","","","0.1412","0.1661","","","","","","1.004","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108484","4.87323","0.00009","9.93425","0.00018","19.6468","0.0004","90","","90","","90","","951.14","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N7 O6 -","- C5 H7 N7 O6 -","- C20 H28 N28 O24 -","4","1","","Hiroko Mineki; Taichi Hanasaki; Arimasa Matsumoto; Tsuneomi Kawasaki; Kenso Soai","Asymmetric autocatalysis initiated by achiral nucleic acid base adenine: implications on the origin of homochirality of biomolecules","Chem.Commun.","2012","48","","10538","","10.1039/c2cc34928k","","","1.54187","CuKα","","","0.0241","","","","0.0737","","","","","","1.032","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108485","10.4079","0.0007","14.4988","0.001","27.679","0.002","90","","90","","90","","4176.8","0.5","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","bis((1,4,7,10,13,16-hexaoxacyclooctadecane)-potassium) di- bismuth-di-tin ammoniate","bis((1,4,7,10,13,16-hexaoxacyclooctadecane)-potassium) di-bismuth-di-tin ammoniate","","- C24 H54 Bi2 K2 N2 O12 Sn2 -","- C24 H51 Bi2 K2 N2 O12 Sn2 -","- C96 H204 Bi8 K8 N8 O48 Sn8 -","4","1","","Ute Friedrich; Maria Neumeier; Carina Koch; Nikolaus Korber","Synthesis of Heteroatomic Zintl Anions in Liquid Ammonia - the New Highly Charged [Sn~4~Bi~4~]^ 4‒^ and Fully Ordered [Sn~2~Bi~2~] ^2‒^","Chem.Commun.","2012","48","","10544","","10.1039/c2cc35380f","","","0.71073","MoKα","","0.0445","0.0352","","","0.0854","0.0887","","","","","","0.944","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108486","15.5211","0.0002","16.7664","0.0002","21.7756","0.0002","72.442","0.001","87.793","0.001","62.57","0.001","4761.41","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","tetrakis((1,4,7,10,13,16-hexaoxacyclooctadecane)-cesium) tetra-bismuth-tetra-tin ammoniate","tetrakis((1,4,7,10,13,16-hexaoxacyclooctadecane)-cesium) tetra-bismuth-tetra-tin ammoniate","","- C48 H132 Bi4 Cs4 N12 O24 Sn4 -","- C48 H114 Bi4 Cs4 N12 O24 Sn4 -","- C96 H228 Bi8 Cs8 N24 O48 Sn8 -","2","1","","Ute Friedrich; Maria Neumeier; Carina Koch; Nikolaus Korber","Synthesis of Heteroatomic Zintl Anions in Liquid Ammonia - the New Highly Charged [Sn~4~Bi~4~]^ 4‒^ and Fully Ordered [Sn~2~Bi~2~] ^2‒^","Chem.Commun.","2012","48","","10544","","10.1039/c2cc35380f","","","0.71073","MoKα","","0.0612","0.0406","","","0.086","0.0931","","","","","","1.047","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108487","18.939","0.0013","7.5769","0.0005","11.1814","0.0008","90","","93.594","0.001","90","","1601.36","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C68 H80 N16 O8 -","4","1","","Xin Su; Mart Lokov; Agnes Kutt; Ivo Leito; Ivan Aprahamian","Unusual para-substituent effects on the intramolecular hydrogen-bond in hydrazone-based switches","Chem.Commun.","2012","48","","10490","","10.1039/c2cc35860c","","x-ray","0.71073","MoKα","","0.0367","0.0324","","","0.0854","0.09","","","","","","1.039","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108488","21.5273","0.0007","14.3929","0.0005","6.4359","0.0002","90","","96.137","0.003","90","","1982.67","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C84 H108 N12 O12 -","4","1","","Xin Su; Mart Lokov; Agnes Kutt; Ivo Leito; Ivan Aprahamian","Unusual para-substituent effects on the intramolecular hydrogen-bond in hydrazone-based switches","Chem.Commun.","2012","48","","10490","","10.1039/c2cc35860c","","x-ray","1.54178","CuKα","","0.122","0.0594","","","0.1154","0.1399","","","","","","1.014","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108489","4.9468","0.0004","9.7236","0.0007","29.425","0.002","90","","90","","90","","1415.36","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N3 O2 -","- C15 H14 Cl N3 O2 -","- C60 H56 Cl4 N12 O8 -","4","1","","Xin Su; Mart Lokov; Agnes Kutt; Ivo Leito; Ivan Aprahamian","Unusual para-substituent effects on the intramolecular hydrogen-bond in hydrazone-based switches","Chem.Commun.","2012","48","","10490","","10.1039/c2cc35860c","","x-ray","0.71073","MoKα","","0.0522","0.0441","","","0.1058","0.1124","","","","","","1.049","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108490","7.2194","0.0002","10.0881","0.0003","20.1172","0.0006","90","","90","","90","","1465.14","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Br N3 O2 -","- C15 H14 Br N3 O2 -","- C60 H56 Br4 N12 O8 -","4","1","","Xin Su; Mart Lokov; Agnes Kutt; Ivo Leito; Ivan Aprahamian","Unusual para-substituent effects on the intramolecular hydrogen-bond in hydrazone-based switches","Chem.Commun.","2012","48","","10490","","10.1039/c2cc35860c","","x-ray","0.71073","MoKα","","0.031","0.0247","","","0.0538","0.0556","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108491","6.6841","0.0005","19.9101","0.0015","22.7748","0.0017","90","","90","","90","","3030.9","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C120 H112 N32 O32 -","8","1","","Xin Su; Mart Lokov; Agnes Kutt; Ivo Leito; Ivan Aprahamian","Unusual para-substituent effects on the intramolecular hydrogen-bond in hydrazone-based switches","Chem.Commun.","2012","48","","10490","","10.1039/c2cc35860c","","x-ray","0.71073","MoKα","","0.0573","0.036","","","0.0836","0.0954","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108492","8.7125","0.0006","11.9908","0.0006","22.8948","0.0013","90","","90","","90","","2391.8","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O5 -","- C26 H21 Cl N2 O5 -","- C104 H84 Cl4 N8 O20 -","4","1","","Xin Xie; Cheng Peng; Gu He; Hai-Jun Leng; Biao Wang; Wei Huang; Bo Han","Asymmetric synthesis of a structurally and stereochemically complex spirooxindole pyran scaffold through an organocatalytic multicomponent cascade reaction","Chem.Commun.","2012","48","","10487","","10.1039/c2cc36011j","","","0.7107","MoKα","","0.1111","0.0697","","","0.1537","0.1862","","","","","","1.007","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108493","6.9973","0.0003","16.3475","0.0006","19.973","0.0008","90","","90","","90","","2284.68","0.16","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O5 -","- C26 H21 Cl N2 O5 -","- C104 H84 Cl4 N8 O20 -","4","1","","Xin Xie; Cheng Peng; Gu He; Hai-Jun Leng; Biao Wang; Wei Huang; Bo Han","Asymmetric synthesis of a structurally and stereochemically complex spirooxindole pyran scaffold through an organocatalytic multicomponent cascade reaction","Chem.Commun.","2012","48","","10487","","10.1039/c2cc36011j","","","0.7107","MoKα","","0.0798","0.0485","","","0.0737","0.083","","","","","","1.015","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108494","20.822","0.002","20.822","","9.6348","0.0011","90","","90","","90","","4177.2","0.6","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C23 H16 K N9 O -","- C23 H16 K N9 O -","- C184 H128 K8 N72 O8 -","8","1","","Yumi Yakiyama; Akira Ueda; Yasushi Morita; Masaki Kawano","Crystal surface mediated structure transformation of a kinetic framework composed of multi-interactive ligand TPHAP and Co(II)","Chem.Commun.","2012","48","","10651","","10.1039/c2cc35078e","","","0.71073","MoKα","","0.0668","0.0492","","","0.1424","0.157","","","","","","1.049","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108495","29.0224","0.0005","8.4172","0.0001","27.4938","0.0004","90","","90","","90","","6716.39","0.17","90","2","90","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C57.28 H35 Co N19.31 O13.68 -","- C57.277 H35 Co N19.321 O13.667 -","- C229.108 H140 Co4 N77.284 O54.668 -","4","1","","Yumi Yakiyama; Akira Ueda; Yasushi Morita; Masaki Kawano","Crystal surface mediated structure transformation of a kinetic framework composed of multi-interactive ligand TPHAP and Co(II)","Chem.Commun.","2012","48","","10651","","10.1039/c2cc35078e","","","0.6889","synchrotron","","0.0995","0.0697","","","0.1793","0.1905","","","","","","0.998","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108496","14.6913","0.0003","27.103","0.0005","8.2799","0.0001","90","","90","","90","","3296.88","0.1","90","2","90","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C54 H41 Co2 N21 O13 -","- C54 H41 Co2 N21 O13 -","- C108 H82 Co4 N42 O26 -","2","0.5","","Yumi Yakiyama; Akira Ueda; Yasushi Morita; Masaki Kawano","Crystal surface mediated structure transformation of a kinetic framework composed of multi-interactive ligand TPHAP and Co(II)","Chem.Commun.","2012","48","","10651","","10.1039/c2cc35078e","","","0.6889","synchrotron","","0.0902","0.0722","","","0.194","0.2066","","","","","","1.102","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108497","13.6756","0.0003","21.249","0.0003","15.3455","0.0003","90","","115.872","0.006","90","","4012.3","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.25 H24 Co N11.75 O9.75 -","- C35.152 H24.015 Co N11.803 O9.8 -","- C140.608 H96.06 Co4 N47.212 O39.2 -","4","1","","Yumi Yakiyama; Akira Ueda; Yasushi Morita; Masaki Kawano","Crystal surface mediated structure transformation of a kinetic framework composed of multi-interactive ligand TPHAP and Co(II)","Chem.Commun.","2012","48","","10651","","10.1039/c2cc35078e","","","0.6889","synchrotron","","0.1198","0.0777","","","0.2127","0.2294","","","","","","0.961","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7108498","11.9746","0.0015","9.4799","0.0012","19.8636","0.0019","90","","125.669","0.005","90","","1831.9","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O -","- C26 H18 O -","- C104 H72 O4 -","4","1","","Junqing Shi; Ning Chang; Cuihong Li; Ju Mei; Chunmei Deng; Xiaoliang Luo; Zhengping Liu; Zhishan Bo; Yong Qiang Dong; Ben Zhong Tang","Locking the phenyl rings of tetraphenylethene step by step: understanding the mechanism of aggregation-induced emission","Chem.Commun.","2012","48","","10675","","10.1039/c2cc35641d","","","0.71073","MoKα","","0.0649","0.0456","","","0.0994","0.1092","","","","","","1.045","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108499","14.685","0.004","12.803","0.004","9.354","0.003","90","","95.08","0.005","90","","1751.8","0.9","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C104 H64 O8 -","4","0.5","","Junqing Shi; Ning Chang; Cuihong Li; Ju Mei; Chunmei Deng; Xiaoliang Luo; Zhengping Liu; Zhishan Bo; Yong Qiang Dong; Ben Zhong Tang","Locking the phenyl rings of tetraphenylethene step by step: understanding the mechanism of aggregation-induced emission","Chem.Commun.","2012","48","","10675","","10.1039/c2cc35641d","","","0.71073","MoKα","","0.0414","0.035","","","0.0871","0.0915","","","","","","1.061","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108500","18.3523","0.0013","11.5228","0.0008","18.6286","0.0014","90","","90.916","0.006","90","","3938.9","0.5","100","2","100","2","","","","","","","synthesis as described","4","I 1 2/a 1","-I 2ya","15","","","","- C38 H38 O12 S6 -","- C38 H38 O12 S6 -","- C152 H152 O48 S24 -","4","0.5","","Louis J. Farrugia; James H. Gall; David D. MacNicol","1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests","Chem.Commun.","2012","48","","10600","","10.1039/c2cc35647c","","x-ray","0.71073","MoKα","","0.0443","0.0366","","","0.1021","0.1056","","","","","","1.071","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108501","19.1198","0.0006","11.603","0.0004","19.1943","0.0005","90","","102.023","0.002","90","","4164.8","0.2","100","2","100","2","","","","","","","synthesis as described","4","I 1 2/c 1","-I 2yc","15","","","","- C44 H46 O10 S4 -","- C44 H46 O10 S4 -","- C176 H184 O40 S16 -","4","0.5","","Louis J. Farrugia; James H. Gall; David D. MacNicol","1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests","Chem.Commun.","2012","48","","10600","","10.1039/c2cc35647c","","x-ray","0.71073","MoKα","","0.057","0.0396","","","0.0975","0.1039","","","","","","1.027","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108502","9.666","0.004","11.692","0.005","12.366","0.005","72.75","0.009","67.912","0.008","76.869","0.009","1226.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","MIL-145","","","- C22 H20 Li4 N4 O10 -","- C22 H20 Li4 N4 O10 -","- C44 H40 Li8 N8 O20 -","2","1","","Racha El Osta; Michel Frigoli; Jerome Marrot; Nathalie Guillou; Hubert Chevreau; Richard I. Walton; Franck Millange","A lithium-organic framework with coordinatively unsaturated metal sites that reversibly binds water","Chem.Commun.","2012","48","","10639","","10.1039/c2cc35861a","","","0.71073","MoKα","","0.0977","0.0724","","","0.2212","0.2383","","","","","","1.164","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108503","10.15","0.015","17.72","0.03","10.24","0.03","90","","90","","90","","1842","7","123","2","123","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C25 H23 B -","- C25 H23 B -","- C100 H92 B4 -","4","0.5","","Tomokatsu Kushida; Zhiguo Zhou; Atsushi Wakamiya; Shigehiro Yamaguchi","Planarized B-Phenylborataanthracene: Structural and Electronic Impacts of Coplanar-Constraint","Chem.Commun.","2012","48","","10715","","10.1039/c2cc35874c","","","0.7107","MoKa","","0.0466","0.0405","","","0.0968","0.0994","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108504","23.898","0.008","18.387","0.004","18.78","0.02","90","","104.083","0.017","90","","8004","9","123.15","","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 B K N2 O6 -","- C43 H58 B K N2 O6 -","- C344 H464 B8 K8 N16 O48 -","8","2","","Tomokatsu Kushida; Zhiguo Zhou; Atsushi Wakamiya; Shigehiro Yamaguchi","Planarized B-Phenylborataanthracene: Structural and Electronic Impacts of Coplanar-Constraint","Chem.Commun.","2012","48","","10715","","10.1039/c2cc35874c","","","0.7107","MoKa","","0.1357","0.1028","","","0.2467","0.2771","","","","","","1.151","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108505","10.938","0.016","34.75","0.03","57.15","0.06","90","","97.81","0.03","90","","21521","4","123.15","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54 B Li O4 -","- C41 H54 B Li O4 -","- C984 H1296 B24 Li24 O96 -","24","6","","Tomokatsu Kushida; Zhiguo Zhou; Atsushi Wakamiya; Shigehiro Yamaguchi","Planarized B-Phenylborataanthracene: Structural and Electronic Impacts of Coplanar-Constraint","Chem.Commun.","2012","48","","10715","","10.1039/c2cc35874c","","","0.7107","MoKa","","0.1963","0.1098","","","0.2654","0.3531","","","","","","1.085","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108506","11.2939","0.0002","11.4812","0.0002","13.0931","0.0002","112.121","0.0009","95.5478","0.0011","91.2584","0.0011","1562.27","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H22 B2 F8 Fe N24 O5.32 -","- C12 H22 B2 F8 Fe N24 O5.321 -","- C24 H44 B4 F16 Fe2 N48 O10.642 -","2","1","","Yu-Chun Chuang; Wei-Lun Ho; Chou-Fu Sheu; Gene-Hsiang Lee; Yu Wang","Crystal Engineering from a 1D Chain to a 3D Coordination Polymer Accompanied with a Dramatic Change in Magnetic Property","Chem.Commun.","2012","48","","10769","","10.1039/c2cc35879d","","","0.71073","MoKα","","0.107","0.0599","","","0.1542","0.175","","","","","","1.07","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108507","14.565","0.005","20.273","0.007","16.053","0.006","90","","90","","90","","4740","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H50 Cl2 Cu4 Gd N7 O43 -","- C18 H38 Cl2 Cu4 Gd N7 O43 -","- C72 H152 Cl8 Cu16 Gd4 N28 O172 -","4","0.5","","Qilong Zhu; Shengchang Xiang; Tianlu Sheng; Daqiang Yuan; Chaojun Shen; Chunhong Tan; Shengmin Hu; Xintao Wu","A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters featuring ferromagnetic coupling and single-molecule magnet behavior","Chem.Commun.","2012","48","","10736","","10.1039/c2cc35935a","","","0.71073","MoKα","","0.0529","0.0443","","","0.1126","0.1232","","","","","","1.18","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108508","14.564","0.005","20.278","0.006","16.024","0.005","90","","90","","90","","4732","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H50 Cl2 Cu4 N7 O43 Tb -","- C18 H38 Cl2 Cu4 N7 O43 Tb -","- C72 H152 Cl8 Cu16 N28 O172 Tb4 -","4","0.5","","Qilong Zhu; Shengchang Xiang; Tianlu Sheng; Daqiang Yuan; Chaojun Shen; Chunhong Tan; Shengmin Hu; Xintao Wu","A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters featuring ferromagnetic coupling and single-molecule magnet behavior","Chem.Commun.","2012","48","","10736","","10.1039/c2cc35935a","","","0.71073","MoKα","","0.0453","0.0384","","","0.1032","0.112","","","","","","1.172","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108509","14.5762","0.0004","20.2376","0.0006","15.9957","0.0005","90","","90","","90","","4718.5","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H50 Cl2 Cu4 N7 O43 Sm -","- C18 H38 Cl2 Cu4 N7 O43 Sm -","- C72 H152 Cl8 Cu16 N28 O172 Sm4 -","4","0.5","","Qilong Zhu; Shengchang Xiang; Tianlu Sheng; Daqiang Yuan; Chaojun Shen; Chunhong Tan; Shengmin Hu; Xintao Wu","A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters featuring ferromagnetic coupling and single-molecule magnet behavior","Chem.Commun.","2012","48","","10736","","10.1039/c2cc35935a","","","0.71073","MoKα","","0.0348","0.0338","","","0.0991","0.0999","","","","","","1.084","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108510","14.5743","0.0004","20.2763","0.0006","16.0214","0.0005","90","","90","","90","","4734.5","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H50 Cl2 Cu4 Eu N7 O43 -","- C18 H38 Cl2 Cu4 Eu N7 O43 -","- C72 H152 Cl8 Cu16 Eu4 N28 O172 -","4","0.5","","Qilong Zhu; Shengchang Xiang; Tianlu Sheng; Daqiang Yuan; Chaojun Shen; Chunhong Tan; Shengmin Hu; Xintao Wu","A series of goblet-like heterometallic pentanuclear [LnIIICuII4] clusters featuring ferromagnetic coupling and single-molecule magnet behavior","Chem.Commun.","2012","48","","10736","","10.1039/c2cc35935a","","","0.71073","MoKα","","0.0329","0.0322","","","0.0854","0.086","","","","","","1.105","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108511","14.9866","0.0008","23.6356","0.0012","16.4784","0.0009","90","","101.871","0.004","90","","5712.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HB012","","","- C60 H77 Li3 N4 O9 -","- C60 H77 Li3 N4 O9 -","- C240 H308 Li12 N16 O36 -","4","1","","John Arnold; Heather Buckley; Penelope J. Brothers; Daniel Gryko","Synthesis of lithium corrole and its use as a reagent for the preparation of cyclopentadienyl zirconium and titanium corrole complexes","Chem.Commun.","2012","48","","10766","","10.1039/c2cc35984g","","","1.54178","CuKα","","0.0878","0.0692","","","0.1901","0.2106","","","","","","1.026","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108512","19.2272","0.0009","19.8419","0.001","20.2471","0.0009","90","","90","","90","","7724.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","HB026","","","- C49 H42 N4 O Zr -","- C49 H42 N4 O Zr -","- C392 H336 N32 O8 Zr8 -","8","1","","John Arnold; Heather Buckley; Penelope J. Brothers; Daniel Gryko","Synthesis of lithium corrole and its use as a reagent for the preparation of cyclopentadienyl zirconium and titanium corrole complexes","Chem.Commun.","2012","48","","10766","","10.1039/c2cc35984g","","","0.71073","MoKα","","0.0598","0.0354","","","0.0781","0.0886","","","","","","1.044","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108513","10.8502","0.001","14.0504","0.0013","14.6264","0.0013","96.477","0.004","93.78","0.004","104.095","0.004","2138.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","HB028b","","","- C54 H52 N4 O Ti -","- C54 H52 N4 O Ti -","- C108 H104 N8 O2 Ti2 -","2","1","","John Arnold; Heather Buckley; Penelope J. Brothers; Daniel Gryko","Synthesis of lithium corrole and its use as a reagent for the preparation of cyclopentadienyl zirconium and titanium corrole complexes","Chem.Commun.","2012","48","","10766","","10.1039/c2cc35984g","","","1.54178","CuKα","","0.0435","0.0418","","","0.1153","0.1176","","","","","","1.043","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108514","13.5091","0.0007","13.5091","0.0007","36.8157","0.0019","90","","90","","120","","5818.6","0.5","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H34 Co N4 O7 -","- C46 H32 Co N4 O7 -","- C276 H192 Co6 N24 O42 -","6","1","","Ling Qin; Jin-Song Hu; Ming-Dao Zhang; Zi-Jian Guo; He-Gen Zheng","Structure-property relationship of homochiral and achiral supramolecular isomers obtained by one-pot synthesis","Chem.Commun.","2012","48","","10757","","10.1039/c2cc36003a","","","0.71073","MoKα","","0.0377","0.0305","","","0.0598","0.0615","","","","","","0.951","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7108515","27.4499","0.0017","17.0811","0.001","29.4964","0.0018","90","","108.566","0.001","90","","13110.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H82 Co5 N10 O21 -","- C112 H82 Co5 N10 O21 -","- C448 H328 Co20 N40 O84 -","4","0.5","","Ling Qin; Jin-Song Hu; Ming-Dao Zhang; Zi-Jian Guo; He-Gen Zheng","Structure-property relationship of homochiral and achiral supramolecular isomers obtained by one-pot synthesis","Chem.Commun.","2012","48","","10757","","10.1039/c2cc36003a","","","0.71073","MoKα","","0.0612","0.0426","","","0.1125","0.1196","","","","","","1.021","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7108516","9.369","0.002","9.971","0.002","10.815","0.004","98.526","0.003","93.088","0.003","117.892","0.002","874.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 I O2 -","- C22 H13 I O2 -","- C44 H26 I2 O4 -","2","1","","Hai-Tao Zhu; Xue Dong; Li-Jing Wang; Mei-Jin Zhong; Xue-Yuan Liu; Yong-Min Liang","Facile synthesis of 2-iodo-spiro[indene-1,1'-isobenzofuran]-3'-ones via iodine-promoted cascade cyclization","Chem.Commun.","2012","48","","10748","","10.1039/c2cc36127b","","","0.71073","MoKα","","0.0356","0.0278","","","0.0593","0.0624","","","","","","1.045","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108517","7.714","0.004","18.219","0.01","8.198","0.005","90","","97.004","0.005","90","","1143.6","1.1","569","2","569","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 I O2 -","- C12 H9 I O2 -","- C48 H36 I4 O8 -","4","1","","Hai-Tao Zhu; Xue Dong; Li-Jing Wang; Mei-Jin Zhong; Xue-Yuan Liu; Yong-Min Liang","Facile synthesis of 2-iodo-spiro[indene-1,1'-isobenzofuran]-3'-ones via iodine-promoted cascade cyclization","Chem.Commun.","2012","48","","10748","","10.1039/c2cc36127b","","","0.71073","MOKα","","0.0594","0.041","","","0.085","0.0972","","","","","","1.06","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108518","46.73","0.01","46.73","0.01","46.73","0.01","90","","90","","90","","102044","4","263","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C40 H20 Co2 N2 O10 -","- C40 H20 Co2 N2 O10 -","- C960 H480 Co48 N48 O240 -","24","0.125","","Ulrich Stoeck; Simon Krause; Volodymyr Bon; Irena Senkovska; Stefan Kaskel","A highly porous metal organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake","Chem.Commun.","2012","48","","10841","","10.1039/c2cc34840c","","x-ray","0.88561","synchrotron","","0.1226","0.0798","","","0.2324","0.2487","","","","","","1.15","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108519","46.806","0.005","46.806","0.005","46.806","0.005","90","","90","","90","","102543","19","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C40 H20 N2 O10 Zn2 -","- C40 H20 N2 O10 Zn2 -","- C960 H480 N48 O240 Zn48 -","24","0.125","","Ulrich Stoeck; Simon Krause; Volodymyr Bon; Irena Senkovska; Stefan Kaskel","A highly porous metal organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake","Chem.Commun.","2012","48","","10841","","10.1039/c2cc34840c","","x-ray","0.88561","synchrotron","","0.0782","0.0548","","","0.1822","0.1968","","","","","","0.884","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108520","46.588","0.005","46.588","0.005","46.588","0.005","90","","90","","90","","101117","19","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C40 H20 Cu2 N2 O10 -","- C40 H20 Cu2 N2 O10 -","- C960 H480 Cu48 N48 O240 -","24","0.125","","Ulrich Stoeck; Simon Krause; Volodymyr Bon; Irena Senkovska; Stefan Kaskel","A highly porous metal organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake","Chem.Commun.","2012","48","","10841","","10.1039/c2cc34840c","","x-ray","0.88561","synchrotron","","0.1018","0.063","","","0.1732","0.1857","","","","","","0.861","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108521","7.4766","0.0015","8.0156","0.0016","36.105","0.007","90","","90","","90","","2163.8","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Teng-Yue Jian; Li-Hui Sun; Song Ye","Highly enantioselective [4 + 2] cyclization of chloroaldehydes and 1-azadienes catalyzed by N-heterocyclic carbenes","Chem.Commun.","2012","48","","10907","","10.1039/c2cc35273g","","","0.71073","MoKα","","0.0464","0.0425","","","0.1017","0.1069","","","","","","1.067","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108522","16.0811","0.0004","24.0918","0.0006","14.2992","0.0004","90","","90","","90","","5539.8","0.2","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23.88 H26 Cu N O11 P -","- C21 H13 Cu O7 P -","- C168 H104 Cu8 O56 P8 -","8","1","","Woo Ram Lee; Dae Won Ryu; Won Ju Phang; Ji Hye Park; Chang Seop Hong","Charge effect of foreign metal ions and the crystal growth process in hybridized metal-organic frameworks","Chem.Commun.","2012","48","","10847","","10.1039/c2cc35526d","","","0.71073","MoKα","","0.0569","0.0438","","","0.1332","0.1385","","","","","","1.113","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108523","34.34","0.003","34.34","0.003","19.451","0.002","90","","90","","120","","19864","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C258 H384 N13.33 O129 P8 Zn15 -","- C168 H102 O69 P8 Zn15 -","- C504 H306 O207 P24 Zn45 -","3","0.166667","","Woo Ram Lee; Dae Won Ryu; Won Ju Phang; Ji Hye Park; Chang Seop Hong","Charge effect of foreign metal ions and the crystal growth process in hybridized metal-organic frameworks","Chem.Commun.","2012","48","","10847","","10.1039/c2cc35526d","","","0.71073","MoKα","","0.1529","0.0792","","","0.2103","0.2382","","","","","","0.882","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108524","14.4794","0.0006","10.5573","0.0005","23.316","0.0011","90","","107.316","0.003","90","","3402.6","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C49 H44.5 N2 O21 P2 Tb2 -","- C43 H25 O17 P2 Tb2 -","- C86 H50 O34 P4 Tb4 -","2","0.5","","Woo Ram Lee; Dae Won Ryu; Won Ju Phang; Ji Hye Park; Chang Seop Hong","Charge effect of foreign metal ions and the crystal growth process in hybridized metal-organic frameworks","Chem.Commun.","2012","48","","10847","","10.1039/c2cc35526d","","","0.71073","MoKα","","0.0677","0.0447","","","0.1007","0.1073","","","","","","0.972","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108525","17.06","0.0017","17.06","0.0017","9.2376","0.0018","90","","90","","120","","2328.3","0.6","100","2","100","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C51 H48 N3 O9 Yb -","- C39 H21 O6 Yb -","- C78 H42 O12 Yb2 -","2","0.166667","","Yabing He; Shengchang Xiang; Zhangjing Zhang; Shunshun Xiong; Frank R. Fronczek; Rajamani Krishna; Michael O'Keeffe; Banglin Chen","A microporous lanthanide-tricarboxylate framework with the potential for purification of natural gas","Chem.Commun.","2012","48","","10856","","10.1039/c2cc35729a","","","0.71073","MoKα","","0.0722","0.0496","","","0.1587","0.1722","","","","","","1.072","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108526","13.503","0.0008","14.0714","0.0009","14.6794","0.0009","90","","90","","90","","2789.2","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl2 N5 O13 V -","- C22 H29 Cl2 N5 O13 V -","- C88 H116 Cl8 N20 O52 V4 -","4","1","","Mads Sorensen Vad; Anders Lennartson; Anne Nielsen; Jeffrey Harmer; John E. McGrady; Cathrine Frandsen; Steen Morup; Christine J. McKenzie","An aqueous non-heme Fe(IV)oxo complex with a basic group in the second coordination sphere","Chem.Commun.","2012","48","","10880","","10.1039/c2cc35746a","","x-ray","0.71073","MoKα","","0.0348","0.0285","","","0.0646","0.0679","","","","","","1.025","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108527","14.07","0.02","14.37","0.02","33.86","0.05","90","","96.315","0.019","90","","6804","17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H66 F6 Ir N6 O2 P -","- C78 H66 F6 Ir N6 O2 P -","- C312 H264 F24 Ir4 N24 O8 P4 -","4","1","","Andrew J. Hallett; Nathan White; Wanhua Wu; Xiaoneng Cui; Peter N. Horton; Simon J. Coles; Jianzhang Zhao; Simon J. A. Pope","Enhanced photooxidation sensitizers: the first examples of cyclometalated pyrene complexes of iridium(III)","Chem.Commun.","2012","48","","10838","","10.1039/c2cc35907c","","","0.71075","MoKα","","0.2465","0.1538","","","0.2622","0.3154","","","","","","1.166","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108528","8.1616","0.0004","9.0676","0.0004","17.279","0.0008","88.4","0.004","88.014","0.004","77.311","0.004","1246.5","0.1","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H33 Cl -","- C30 H33 Cl -","- C60 H66 Cl2 -","2","1","","Cong-Rong Liu; Ting-Ting Wang; Qing-Biao Qi; Shi-Kai Tian","Ferric chloride-catalyzed C-N bond cleavage for the cyclization of arylallenes leading to polysubstituted indenes","Chem.Commun.","2012","48","","10913","","10.1039/c2cc36048a","","","1.54184","CuKα","","0.0795","0.0665","","","0.1331","0.1403","","","","","","1.053","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108529","24.592","0.004","24.592","0.004","18.919","0.004","90","","90","","120","","9909","3","173","2","173","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C129 H129 Ag9 F18 N36 O24 S6 -","- C125 H111 Ag9 F6 N36 O12 S2 -","- C250 H222 Ag18 F12 N72 O24 S4 -","2","0.166667","","Xin He; Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed synthesis of a metal cluster-pillared coordination cage","Chem.Commun.","2012","48","","10877","","10.1039/c2cc36250c","","","0.71073","MoKα","","0.1163","0.0935","","","0.2725","0.2928","","","","","","1.089","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108530","35.365","0.007","21.793","0.004","50.072","0.01","90","","100.51","0.03","90","","37944","13","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C291.5 H269 Ag20.5 Cl2 F43.5 N84 O48 S14.5 -","- C286.5 H260 Ag20.5 Cl2 F28.5 N84 O33 S9.5 -","- C1146 H1040 Ag82 Cl8 F114 N336 O132 S38 -","4","1","","Xin He; Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed synthesis of a metal cluster-pillared coordination cage","Chem.Commun.","2012","48","","10877","","10.1039/c2cc36250c","","","0.71073","MoKα","","0.1297","0.0919","","","0.2562","0.282","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108531","22.115","0.003","22.115","0.003","178.02","0.04","90","","90","","120","","75400","2","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C189 H180 Ag15 F27 N48 O30 S9 -","- C185 H180 Ag15 F15 N48 O18 S5 -","- C2220 H2160 Ag180 F180 N576 O216 S60 -","12","0.333333","","Xin He; Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed synthesis of a metal cluster-pillared coordination cage","Chem.Commun.","2012","48","","10877","","10.1039/c2cc36250c","","","0.71073","MoKα","","0.0835","0.0652","","","0.1741","0.1864","","","","","","1.065","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108532","9.0098","0.0005","15.125","0.0008","20.0151","0.001","74.953","0.004","80.961","0.004","79","0.004","2568.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H50 O2 -","- C44 H50 O2 -","- C132 H150 O6 -","3","1.5","","Xiqi Zhang; Zhenguo Chi; Bingjia Xu; Long Jiang; Xie Zhou; Yi Zhang; Siwei Liu; Jiarui Xu","Multifunctional organic fluorescent materials derived from 9,10-distyrylanthracene with alkoxyl endgroups of various lengths","Chem.Commun.","2012","48","","10895","","10.1039/c2cc36263e","","","1.54178","CuKα","","0.0644","0.0526","","","0.1405","0.156","","","","","","1.028","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108533","8.9037","0.0016","16.377","0.003","19.649","0.004","79.561","0.003","79.148","0.003","78.442","0.003","2726","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H54 O2 -","- C46 H54 O2 -","- C138 H162 O6 -","3","1.5","","Xiqi Zhang; Zhenguo Chi; Bingjia Xu; Long Jiang; Xie Zhou; Yi Zhang; Siwei Liu; Jiarui Xu","Multifunctional organic fluorescent materials derived from 9,10-distyrylanthracene with alkoxyl endgroups of various lengths","Chem.Commun.","2012","48","","10895","","10.1039/c2cc36263e","","","0.71073","MoKα","","0.1603","0.0885","","","0.1934","0.2354","","","","","","1.027","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108534","8.7236","0.0013","12.0059","0.0018","19.476","0.003","103.551","0.002","100.225","0.002","100.499","0.002","1897.4","0.5","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H58 O2 -","- C48 H58 O2 -","- C96 H116 O4 -","2","1","","Xiqi Zhang; Zhenguo Chi; Bingjia Xu; Long Jiang; Xie Zhou; Yi Zhang; Siwei Liu; Jiarui Xu","Multifunctional organic fluorescent materials derived from 9,10-distyrylanthracene with alkoxyl endgroups of various lengths","Chem.Commun.","2012","48","","10895","","10.1039/c2cc36263e","","","0.71073","MoKα","","0.0705","0.0439","","","0.1106","0.127","","","","","","1.043","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108535","5.2873","0.0011","11.926","0.002","16.467","0.003","95.422","0.003","98.427","0.003","96.703","0.003","1013.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H62 O2 -","- C50 H62 O2 -","- C50 H62 O2 -","1","0.5","","Xiqi Zhang; Zhenguo Chi; Bingjia Xu; Long Jiang; Xie Zhou; Yi Zhang; Siwei Liu; Jiarui Xu","Multifunctional organic fluorescent materials derived from 9,10-distyrylanthracene with alkoxyl endgroups of various lengths","Chem.Commun.","2012","48","","10895","","10.1039/c2cc36263e","","","0.71073","MoKα","","0.0606","0.0423","","","0.1113","0.1308","","","","","","1.054","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108536","5.7012","0.0006","7.8232","0.0007","23.669","0.003","92.182","0.008","96.212","0.008","92.041","0.008","1047.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H66 O2 -","- C52 H66 O2 -","- C52 H66 O2 -","1","0.5","","Xiqi Zhang; Zhenguo Chi; Bingjia Xu; Long Jiang; Xie Zhou; Yi Zhang; Siwei Liu; Jiarui Xu","Multifunctional organic fluorescent materials derived from 9,10-distyrylanthracene with alkoxyl endgroups of various lengths","Chem.Commun.","2012","48","","10895","","10.1039/c2cc36263e","","","1.54178","CuKα","","0.05","0.0431","","","0.1161","0.1239","","","","","","1.053","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108537","5.4356","0.0009","7.4034","0.0014","27.665","0.003","86.595","0.011","84.863","0.01","89.167","0.014","1106.8","0.3","150","2","150.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C54 H70 O2 -","- C54 H70 O2 -","- C54 H70 O2 -","1","0.5","","Xiqi Zhang; Zhenguo Chi; Bingjia Xu; Long Jiang; Xie Zhou; Yi Zhang; Siwei Liu; Jiarui Xu","Multifunctional organic fluorescent materials derived from 9,10-distyrylanthracene with alkoxyl endgroups of various lengths","Chem.Commun.","2012","48","","10895","","10.1039/c2cc36263e","","","1.5418","CuKα","","0.0567","0.0452","","","0.1283","0.1426","","","","","","1.049","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108538","11.6703","0.001","21.1654","0.0018","39.374","0.004","90","","94.024","0.002","90","","9701.7","1.5","118","2","118","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Ca Cl4 I2 N10 O4 -","- C40 H47 Ca Cl4 I2 N10 O4 -","- C320 H376 Ca8 Cl32 I16 N80 O32 -","8","1","","Hiroshi Ito; Hiroshi Tsukube; Satoshi Shinoda","A chirality rewriting cycle mediated by a dynamic cyclen-calcium complex","Chem.Commun.","2012","48","","10954","","10.1039/c2cc35350d","","","0.7107","MoKα","","0.0755","0.0521","","","0.1196","0.1303","","","","","","1.022","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108539","12.178","0.002","12.716","0.003","12.809","0.003","69.55","0.03","76.62","0.03","68.97","0.03","1721.9","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H22 F36 Mn3 N2 O16 S4 -","- C54 H22 F36 Mn3 N2 O16 S4 -","- C54 H22 F36 Mn3 N2 O16 S4 -","1","0.5","","David S. Sullivan; Rodolphe Clerac; Michael Jennings; Alan J. Lough; Kathryn E. Preuss","Trinuclear Mn(II) complex with paramagnetic bridging 1,2,3-dithiazolyl ligands","Chem.Commun.","2012","48","","10963","","10.1039/c2cc35869g","","","0.71073","MoKα","","0.0883","0.0489","","","0.0986","0.1142","","","","","","1.058","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108540","7.7207","0.00007","13.73969","0.00016","21.14","0.0002","90","","94.088","0.001","90","","2236.83","0.04","149.9","","149.9","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-amino-3-bromo-6,7-dimethylnapthalene-1,4-dione","2-amino-3-bromo-6,7-dimethylnapthalene-1,4-dione","","- C12 H11 Br N O2.5 -","- C12 H11 Br N O2.5 -","- C96 H88 Br8 N8 O20 -","8","1","","David S. Sullivan; Rodolphe Clerac; Michael Jennings; Alan J. Lough; Kathryn E. Preuss","Trinuclear Mn(II) complex with paramagnetic bridging 1,2,3-dithiazolyl ligands","Chem.Commun.","2012","48","","10963","","10.1039/c2cc35869g","","","1.54184","CuKα","","0.0329","0.0329","","","0.0817","0.0817","","","","","","1.16","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108541","11.055","0.002","7.9789","0.0016","13.222","0.003","90","","113.03","0.03","90","","1073.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N O2 S2 -","- C12 H8 N O2 S2 -","- C48 H32 N4 O8 S8 -","4","1","","David S. Sullivan; Rodolphe Clerac; Michael Jennings; Alan J. Lough; Kathryn E. Preuss","Trinuclear Mn(II) complex with paramagnetic bridging 1,2,3-dithiazolyl ligands","Chem.Commun.","2012","48","","10963","","10.1039/c2cc35869g","","","0.71073","MoKα","","0.0607","0.0428","","","0.102","0.113","","","","","","1.062","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108542","19.14","0.03","6.288","0.009","19.81","0.03","90","","91.934","0.015","90","","2383","6","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 F2 N2 O4 -","- C11 H14 F2 N2 O4 -","- C88 H112 F16 N16 O32 -","8","1","","Hiroki Kumamoto; Sachiko Kawahigashi; Hiromi Wakabayashi; Tomohiko Nakano; Tomoko Miyaike; Yasuyuki Kitagawa; Hiroshi Abe; Mika Ito; Kazuhiro Haraguchi; Jan Balzarini; Masanori Baba; Hiromichi Tanaka","Tuning efficiency of the 4-exo-trig cyclization by the electronic effect: ring closure of 3,3-difluoro-4-pentenyl carbon radicals and synthesis of a gem-difluorocyclobutane nucleoside","Chem.Commun.","2012","48","","10993","","10.1039/c2cc35876j","","","0.71075","MoKα","","","0.0473","","","","0.1596","","","","","","1.144","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108543","11.5582","0.0015","23.309","0.003","34.534","0.004","90","","95.489","0.002","90","","9261","2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C88 H112 O16 -","- C88 H112 O16 -","- C352 H448 O64 -","4","1","","Jun-Li Hou; Xiao-Bo Hu; Zhenxia Chen; Lei Chen; Ling Zhang; Zhan-Ting Li","Pillar[n]arenes (n = 8-10) with two cavities: synthesis, structures and complexing properties","Chem.Commun.","2012","48","","10999","","10.1039/c2cc36027f","","","0.71073","MoKα","","0.1201","0.0623","","","0.1651","0.1893","","","","","","0.93","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108544","11.872","0.003","43.653","0.011","21.478","0.005","90","","97.396","0.004","90","","11038","5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C99 H126 O18 -","- C99 H126 O18 -","- C396 H504 O72 -","4","0.5","","Jun-Li Hou; Xiao-Bo Hu; Zhenxia Chen; Lei Chen; Ling Zhang; Zhan-Ting Li","Pillar[n]arenes (n = 8-10) with two cavities: synthesis, structures and complexing properties","Chem.Commun.","2012","48","","10999","","10.1039/c2cc36027f","","","0.71073","MoKα","","0.1374","0.1098","","","0.3368","0.3564","","","","","","1.023","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108545","46.342","0.007","12.654","0.002","25.206","0.004","90","","122.625","0.002","90","","12449","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C110 H140 O20 -","- C110 H140 O20 -","- C440 H560 O80 -","4","0.5","","Jun-Li Hou; Xiao-Bo Hu; Zhenxia Chen; Lei Chen; Ling Zhang; Zhan-Ting Li","Pillar[n]arenes (n = 8-10) with two cavities: synthesis, structures and complexing properties","Chem.Commun.","2012","48","","10999","","10.1039/c2cc36027f","","","0.71073","MoKα","","0.1302","0.1013","","","0.321","0.3394","","","","","","1.106","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108546","8.9306","0.0004","17.9709","0.0007","19.8097","0.0008","90","","90","","90","","3179.3","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C160 H160 O16 -","8","1","","Deepak B. Huple; Rai-Shung Liu","Gold-catalyzed diastereoselective [2+2+2]-cycloaddition of 1,7-enynes with carbonyl compounds","Chem.Commun.","2012","48","","10975","","10.1039/c2cc36219h","","","0.71073","MoKα","","0.1806","0.0731","","","0.1961","0.2528","","","","","","1.018","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108547","14.449","0.018","12.318","0.015","8.7","0.011","90","","100.103","0.012","90","","1524","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","1","","Qi Xing; Lijun Shi; Rui Lang; Chungu Xia; Fuwei Li","Palladium-catalyzed mono- and double-carbonylation of indoles with amines controllably leading to amides and alpha-ketoamides","Chem.Commun.","2012","48","","11023","","10.1039/c2cc36341k","","","0.71073","MoKα","","0.1133","0.0599","","","0.1168","0.1386","","","","","","1.009","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108548","8.604","0.003","17.584","0.007","10.173","0.004","90","","97.577","0.004","90","","1525.7","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N2 O2 -","- C18 H15 N2 O2 -","- C72 H60 N8 O8 -","4","1","","Qi Xing; Lijun Shi; Rui Lang; Chungu Xia; Fuwei Li","Palladium-catalyzed mono- and double-carbonylation of indoles with amines controllably leading to amides and alpha-ketoamides","Chem.Commun.","2012","48","","11023","","10.1039/c2cc36341k","","","0.71073","MoKα","","0.1021","0.0569","","","0.1367","0.1587","","","","","","1.045","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108549","5.695","0.0003","7.5345","0.0005","28.7029","0.0017","90","","90","","90","","1231.61","0.13","150","2","150","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl -","- C16 H13 Cl -","- C64 H52 Cl4 -","4","1","","Hubert Klein; Thierry Roisnel; Christian Bruneau; Sylvie Derien","One-step synthesis of 1-halo-1,3-butadienes via ruthenium-catalysed hydrohalogenative dimerisation of alkynes","Chem.Commun.","2012","48","","11032","","10.1039/c2cc36422k","","x-ray","0.71073","MoKα","","0.0397","0.0326","","","0.0738","0.077","","","","","","1.036","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108550","11.0766","0.0006","10.0123","0.0006","13.7838","0.0007","90","","108.455","0.002","90","","1450.04","0.14","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N2 -","- C18 H11 Cl N2 -","- C72 H44 Cl4 N8 -","4","1","","Hubert Klein; Thierry Roisnel; Christian Bruneau; Sylvie Derien","One-step synthesis of 1-halo-1,3-butadienes via ruthenium-catalysed hydrohalogenative dimerisation of alkynes","Chem.Commun.","2012","48","","11032","","10.1039/c2cc36422k","","x-ray","0.71073","MoKα","","0.0756","0.0473","","","0.1036","0.1144","","","","","","1.062","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108551","17.1691","0.0005","11.0334","0.0005","16.3274","0.0006","90","","98.302","0.003","90","","3060.5","0.2","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 Co2 N O10 -","- C27 H19 Co2 N O10 -","- C108 H76 Co8 N4 O40 -","4","0.5","","Samir Barman; Jai Anand Garg; Olivier Blacque; Koushik Venkatesan; Heinz Berke","Triptycene based luminescent metal-organic gels for chemosensing","Chem.Commun.","2012","48","","11127","","10.1039/c2cc34430k","","","0.71073","MoKα","","0.1048","0.0756","","","0.2135","0.2256","","","","","","1.107","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108552","13.3587","0.0014","12.8112","0.0014","20.986","0.002","90","","105.108","0.002","90","","3467.4","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H102 Co2 K2 N6 O4 Si4 -","- C60 H102 Co2 K2 N6 O4 Si4 -","- C120 H204 Co4 K4 N12 O8 Si8 -","2","0.5","","Skye Fortier; Octavio Gonzalez-del Moral; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola; Kenneth G. Caulton","Probing the redox non-innocence of dinuclear, three-coordinate Co(II) nindigo complexes: not simply beta-diketiminate variants","Chem.Commun.","2012","48","","11082","","10.1039/c2cc34560a","","","0.71073","MoKα","","0.0527","0.0324","","0.086","0.0739","0.086","","","","","","0.9911","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108553","37.418","0.003","48.552","0.002","31.7292","0.0014","90","","90","","90","","57643","6","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C60 H102 Co2 K N6 O8 Si4 -","- C60 H90 Co2 K N6 O8 Si4 -","- C1920 H2880 Co64 K32 N192 O256 Si128 -","32","2","","Skye Fortier; Octavio Gonzalez-del Moral; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola; Kenneth G. Caulton","Probing the redox non-innocence of dinuclear, three-coordinate Co(II) nindigo complexes: not simply beta-diketiminate variants","Chem.Commun.","2012","48","","11082","","10.1039/c2cc34560a","","","0.71073","MoKα","","0.129","0.0732","","","0.1796","0.2233","","","","","","1.39","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108554","14.5775","0.0004","17.1584","0.0005","19.2207","0.0006","90","","90","","90","","4807.6","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H31 Co N3 Si2 -","- C22 H31 Co N3 Si2 -","- C176 H248 Co8 N24 Si16 -","8","1","","Skye Fortier; Octavio Gonzalez-del Moral; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola; Kenneth G. Caulton","Probing the redox non-innocence of dinuclear, three-coordinate Co(II) nindigo complexes: not simply beta-diketiminate variants","Chem.Commun.","2012","48","","11082","","10.1039/c2cc34560a","","","0.41328","Synchrotron","","0.087","0.0382","","0.1103","0.0901","0.1102","","","","","","0.9547","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108555","33.136","0.006","7.3933","0.0012","14.349","0.002","90","","104.51","0.003","90","","3403.2","1","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H54 La2 N2 O21 -","- C58 H54 La2 N2 O21 -","- C116 H108 La4 N4 O42 -","2","0.5","","Song Dang; Jian-Han Zhang; Zhong-Ming Sun; Hongjie Zhang","Luminescent lanthanide metal-organic frameworks with a large SHG response","Chem.Commun.","2012","48","","11139","","10.1039/c2cc35432b","","","0.71073","MoKα","","0.0589","0.046","","","0.1171","0.1304","","","","","","1.101","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108556","32.789","0.003","7.1091","0.0007","14.5399","0.0015","90","","104.454","0.002","90","","3282","0.6","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H54 Eu2 N2 O21 -","- C58 H54 Eu2 N2 O21 -","- C116 H108 Eu4 N4 O42 -","2","0.5","","Song Dang; Jian-Han Zhang; Zhong-Ming Sun; Hongjie Zhang","Luminescent lanthanide metal-organic frameworks with a large SHG response","Chem.Commun.","2012","48","","11139","","10.1039/c2cc35432b","","","0.71073","MoKα","","0.0549","0.0449","","","0.1123","0.1287","","","","","","1.219","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108557","32.6663","0.0015","7.0665","0.0003","14.5262","0.0007","90","","104.398","0.001","90","","3247.9","0.3","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H54 N2 O21 Tb2 -","- C58 H54 N2 O21 Tb2 -","- C116 H108 N4 O42 Tb4 -","2","0.5","","Song Dang; Jian-Han Zhang; Zhong-Ming Sun; Hongjie Zhang","Luminescent lanthanide metal-organic frameworks with a large SHG response","Chem.Commun.","2012","48","","11139","","10.1039/c2cc35432b","","","0.71073","MoKα","","0.0407","0.0354","","","0.0928","0.1023","","","","","","0.984","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108558","9.1556","0.0007","11.5676","0.001","24.164","0.002","90","","90","","90","","2559.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N O2 P S2 -","- C27 H26 N O2 P S2 -","- C108 H104 N4 O8 P4 S8 -","4","1","","Miao Huang; Chun Li; Jian Huang; Wei-Liang Duan; Sheng Xu","Palladium-catalyzed asymmetric addition of diarylphosphines to N-tosylimines","Chem.Commun.","2012","48","","11148","","10.1039/c2cc35563a","","","0.71073","MoKα","","0.0367","0.0337","","","0.0885","0.0912","","","","","","1.055","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108559","30.1702","0.0011","30.1702","0.0011","30.1702","0.0011","90","","90","","90","","27462.2","1.7","185","2","185","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C12 H28 Cu3 N6 O17 -","- C12 H6 Cu3 N6 O10 -","- C384 H192 Cu96 N192 O320 -","32","0.333333","","Shengqun Su; Yibo Zhang; Min Zhu; Xuezhi Song; Song Wang; Shuna Zhao; Shuyan Song; Xiangguang Yang; Hongjie Zhang","An active-site-accessible porous metal-organic framework composed of triangular building units: preparation, catalytic activity and magnetic property","Chem.Commun.","2012","48","","11118","","10.1039/c2cc35606f","","","0.71073","MoKα","","0.067","0.0638","","","0.194","0.201","","","","","","1.162","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108560","16.5305","0.0005","8.3871","0.0003","25.2496","0.0008","90","","105.052","0.001","90","","3380.57","0.19","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Zr -","- C19 H26 Zr -","- C152 H208 Zr8 -","8","1","","Bender, Georg; Kehr, Gerald; Daniliuc, Constantin G.; Dao, Quang Minh; Ehrlich, Stephan; Grimme, Stefan; Erker, Gerhard","Splitting of dihydrogen by five-membered zirconacycloallenoids: a novel pathway to conjugated diene zirconocene complexes","Chemical Communications","2012","48","90","11085","11087","10.1039/c2cc36189b","","","0.71073","MoKα","","0.0463","0.0368","","","0.0891","0.0961","","","","","","1.05","","","","has coordinates","201204","2020-10-21","18:00:00",""
"7108561","13.65","0.003","18.189","0.004","19.264","0.004","82.751","0.012","72.674","0.007","80.096","0.01","4483.5","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H116 F12 N2 O22 P2 -","- C94 H116 F12 N2 O22 P2 -","- C188 H232 F24 N4 O44 P4 -","2","1","","Ying Han; Ya-Kun Gu; Jun-Feng Xiang; Chuan-Feng Chen","Complexation between triptycene-based macrotricyclic host and pi-extended viologens: formation of supramolecular poly[3]pseudorotaxanes","Chem.Commun.","2012","48","","11076","","10.1039/c2cc36192b","","","0.71073","MoKα","","0.1529","0.1189","","","0.2636","0.2869","","","","","","1.14","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108562","12.768","0.003","13.623","0.003","14.01","0.003","72.17","0.03","88.99","0.03","83.52","0.03","2304.6","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H118 F12 N2 O22 P2 -","- C98 H118 F12 N2 O22 P2 -","- C98 H118 F12 N2 O22 P2 -","1","0.5","","Ying Han; Ya-Kun Gu; Jun-Feng Xiang; Chuan-Feng Chen","Complexation between triptycene-based macrotricyclic host and pi-extended viologens: formation of supramolecular poly[3]pseudorotaxanes","Chem.Commun.","2012","48","","11076","","10.1039/c2cc36192b","","","0.71073","MoKα","","0.1115","0.0969","","","0.2248","0.2375","","","","","","1.117","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108563","9.2264","0.0001","6.84999","0.00009","12.2116","0.0002","90","","99.843","0.001","90","","760.422","0.018","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C36 H36 O10 -","2","1","","Michael Carrol; Helge Muller-Bunz; Patrick J. Guiry","Enantioselective construction of sterically hindered tertiary alpha-aryl ketones: a catalytic asymmetric synthesis of isoflavanones","Chem.Commun.","2012","48","","11142","","10.1039/c2cc36452b","","","1.54184","CuKα","","0.0302","0.0292","","","0.0767","0.0785","","","","","","1.037","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108564","8.6325","0.0013","8.6693","0.0013","22.017","0.003","90","","92.146","0.002","90","","1646.5","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-5-chloro-3-(2-hydroxy-6-methoxynaphthalen-1-yl)-2,3- dihydro-1H-inden-1-one","(S)-5-chloro-3-(2-hydroxy-6-methoxynaphthalen-1-yl)-2,3-dihydro-1H-inden-1-one","","- C20 H15 Cl O3 -","- C20 H15 Cl O3 -","- C80 H60 Cl4 O12 -","4","2","","Enrico Paradisi; Paolo Righi; Andrea Mazzanti; Silvia Ranieri; Giorgio Bencivenni","Iminium ion catalysis: the enantioselective Friedel-Crafts alkylation-acetalization cascade of naphthols with alpha,beta-unsaturated cyclic ketones","Chem.Commun.","2012","48","","11178","","10.1039/c2cc35582e","","","0.71073","MoKα","","0.0634","0.0454","","","0.1124","0.1258","","","","","","1.044","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108565","19.582","0.003","6.4957","0.001","15.898","0.002","90","","123.363","0.001","90","","1689","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","compound 6da","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Enrico Paradisi; Paolo Righi; Andrea Mazzanti; Silvia Ranieri; Giorgio Bencivenni","Iminium ion catalysis: the enantioselective Friedel-Crafts alkylation-acetalization cascade of naphthols with alpha,beta-unsaturated cyclic ketones","Chem.Commun.","2012","48","","11178","","10.1039/c2cc35582e","","","0.71073","MoKα","","0.044","0.036","","","0.0827","0.0879","","","","","","1.025","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108566","10.4632","0.0017","11.4185","0.0019","16.753","0.003","90","","90","","90","","2001.5","0.6","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0354","0.034","","","0.0793","0.08","","","","","","1.117","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108567","10.4654","0.0008","11.4224","0.0009","16.7268","0.0013","90","","90","","90","","1999.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0316","0.0308","","","0.07","0.0704","","","","","","1.114","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108568","10.9252","0.0007","8.9395","0.0006","11.2908","0.0007","90","","116.821","0.002","90","","984.09","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N4 O5 -","- C20 H20 N4 O5 -","- C40 H40 N8 O10 -","2","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0443","0.0386","","","0.0808","0.0833","","","","","","1.054","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108569","7.564","0.003","15.725","0.007","18.913","0.008","90","","90","","90","","2249.6","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0447","0.042","","","0.0871","0.0882","","","","","","1.19","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108570","9.628","0.003","11.943","0.004","12.282","0.004","90","","91.847","0.006","90","","1411.5","0.8","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H27 Br N4 O5 -","- C31 H27 Br N4 O5 -","- C62 H54 Br2 N8 O10 -","2","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0326","0.03","","","0.0717","0.073","","","","","","0.994","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108571","21.61","0.003","8.6706","0.0012","21.21","0.003","90","","118.719","0.002","90","","3485.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C160 H168 N24 O24 -","8","2","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0561","0.0511","","","0.1208","0.124","","","","","","1.085","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108572","19.5877","0.0009","21.2285","0.001","22.6548","0.001","100.189","0.002","110.81","0.002","102.36","0.002","8265","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ST2832","","","- C169.8 H236 Mn5 N10.6 O26 -","- C169.8 H230.45 Mn5 N10.6 O26 -","- C339.6 H460.9 Mn10 N21.2 O52 -","2","1","","Stephanie M. Taylor; Ruaraidh D. McIntosh; Stergios Piligkos; Scott J. Dalgarno; Euan K. Brechin","Calixarene-supported clusters: employment of complementary cluster ligands for the construction of a ferromagnetic [Mn5] cage","Chem.Commun.","2012","48","","11190","","10.1039/c2cc35944h","","","0.71073","MoKα","","0.0847","0.0593","","","0.137","0.1513","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108573","26.8937","0.0009","10.0427","0.0004","12.4712","0.0004","90","","114.195","0.002","90","","3072.4","0.19","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl N3 O4 -","- C14 H14 Cl N3 O4 -","- C112 H112 Cl8 N24 O32 -","8","1","","Xinxin Qi; Lu Dai; Cheol-Min Park","Carbenoid-mediated N-O bond insertion and its application in the synthesis of pyridines","Chem.Commun.","2012","48","","11244","","10.1039/c2cc36009h","","","0.71073","MoKα","","0.0757","0.0478","","","0.1147","0.1283","","","","","","1.03","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108574","26.3336","0.0002","26.3336","0.0002","26.3336","0.0002","90","","90","","90","","18261.3","0.2","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Amino-CuBTC","","","- C18 H7.96 Cu3 N2 O15 -","- C18 H7.98 Cu3 N1.98 O15 -","- C288 H127.68 Cu48 N31.68 O240 -","16","0.0833333","","Katharina Peikert; Frank Hoffmann; Michael Froba","Amino substituted Cu3(btc)2: a new metal-organic framework with a versatile functionality","Chem.Commun.","2012","48","","11196","","10.1039/c2cc36220a","","","1.54178","CuKα","","0.1144","0.0985","","","0.2979","0.3104","","","","","","2.407","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108575","10.9928","0.0004","12.8258","0.0005","15.6915","0.0006","111.977","0.004","93.29","0.003","95.85","0.003","2029.95","0.15","180","0.14","180","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","2","","Gowrisankar Parthasarathy; Celine Besnard; E. Peter Kundig","An expedient approach to the total synthesis of (+)-5-epi-eudesm-4(15)-ene-1beta,6beta-diol","Chem.Commun.","2012","48","","11241","","10.1039/c2cc36260k","","","1.5418","CuKα","","0.0537","0.0428","","","0.1102","0.1206","","","","","","1.018","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108576","9.8279","0.0011","4.9456","0.0006","27.487","0.003","90","","96.345","0.001","90","","1327.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ICD-6","","","- C38 H24 N2 -","- C38 H24 N2 -","- C76 H48 N4 -","2","0.5","","Daniel P. Iwaniuk; Christian Wolf","Chiroptical sensing of citronellal: systematic development of a stereodynamic probe using the concept of isostericity","Chem.Commun.","2012","48","","11226","","10.1039/c2cc36267h","","","0.71073","MoKα","","0.0543","0.0421","","","0.1109","0.1165","","","","","","1.071","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108577","15.3041","0.0001","20.2762","0.0003","13.8669","0.0002","90","","114.35","0.03","90","","3920.2","0.9","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 Li N6 O4 V2 -","- C39 H55 Li N6 O4 V2 -","- C156 H220 Li4 N24 O16 V8 -","4","1","","Francesca A. Stokes; Lars Kloo; Yaokang Lv; Philip J. Harford; Andrew E. H. Wheatley; Dominic S. Wright","The redox effect of the [1,2-(NH)2C6H4]^2-^ ligand in the formation of transition metal compounds","Chem.Commun.","2012","48","","11298","","10.1039/c2cc35213c","","","0.71073","MoKα","","0.0697","0.0489","","","0.1602","0.1719","","","","","","1.005","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108578","13.2698","0.0002","16.7091","0.0003","16.7888","0.0003","90","","101.78","0.001","90","","3644.12","0.11","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 Mn6 N12 O9 -","- C68 H100 Mn6 N12 O9 -","- C136 H200 Mn12 N24 O18 -","2","0.5","","Francesca A. Stokes; Lars Kloo; Yaokang Lv; Philip J. Harford; Andrew E. H. Wheatley; Dominic S. Wright","The redox effect of the [1,2-(NH)2C6H4]^2-^ ligand in the formation of transition metal compounds","Chem.Commun.","2012","48","","11298","","10.1039/c2cc35213c","","","0.7107","MoKα","","0.0762","0.0458","","","0.1162","0.1318","","","","","","1","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108579","10.9425","0.0016","12.8801","0.0016","20.43","0.003","79.851","0.01","89.064","0.011","73.078","0.006","2709.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H67 F8 O12 -","- C55 H67 F8 O12 -","- C110 H134 F16 O24 -","2","1","","Dmytro Sysoiev; Tetyana Yushchenko; Elke Scheer; Ulrich Groth; Ulrich E. Steiner; Thomas E. Exner; Thomas Huhn","Pronounced effects on switching efficiency of diarylcycloalkenes upon cycloalkene ring contraction","Chem.Commun.","2012","48","","11355","","10.1039/c2cc35726g","","","0.71073","MoKα","","0.1404","0.0639","","","0.106","0.1269","","","","","","0.938","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108580","21.146","0.003","8.0742","0.0008","9.9346","0.0017","90","","112.593","0.012","90","","1566","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 F4 O2 S2 -","- C16 H10 F4 O2 S2 -","- C64 H40 F16 O8 S8 -","4","0.5","","Dmytro Sysoiev; Tetyana Yushchenko; Elke Scheer; Ulrich Groth; Ulrich E. Steiner; Thomas E. Exner; Thomas Huhn","Pronounced effects on switching efficiency of diarylcycloalkenes upon cycloalkene ring contraction","Chem.Commun.","2012","48","","11355","","10.1039/c2cc35726g","","","0.71073","MoKα","","0.05","0.038","","","0.0902","0.0939","","","","","","1.078","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108581","7.769","0.0008","11.4753","0.0012","16.5918","0.0017","92.603","0.008","90.925","0.008","106.115","0.008","1419","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 F4 O4 -","- C16 H10 F4 O4 -","- C64 H40 F16 O16 -","4","2","","Dmytro Sysoiev; Tetyana Yushchenko; Elke Scheer; Ulrich Groth; Ulrich E. Steiner; Thomas E. Exner; Thomas Huhn","Pronounced effects on switching efficiency of diarylcycloalkenes upon cycloalkene ring contraction","Chem.Commun.","2012","48","","11355","","10.1039/c2cc35726g","","","0.71073","MoKα","","0.0653","0.045","","","0.1073","0.1152","","","","","","1.017","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108582","17.5697","0.0003","12.2799","0.0002","9.0323","0.0002","90","","113.849","0.001","90","","1782.36","0.06","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H28 B2 Cu F8 N4 -","- C26 H28 B2 Cu F8 N4 -","- C52 H56 B4 Cu2 F16 N8 -","2","0.5","","Ryosuke Kotani; Atsushi Kondo; Kazuyuki Maeda","Gate adsorption of CO2 on a flexible one-dimensional copper-based coordination polymer crystal","Chem.Commun.","2012","48","","11316","","10.1039/c2cc35739a","","","1.54187","CuKα","","0.0559","0.0524","","","0.1416","0.1461","","","","","","1.109","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108583","24.2655","0.0006","29.8227","0.0007","16.9856","0.0004","90","","106.803","0.001","90","","11767","0.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4 in manuscript","","","- C114 H133 Au Cl10 F6 N2 -","- C115.374 H135.748 Au Cl12.748 F6 N2 -","- C461.496 H542.992 Au4 Cl50.992 F24 N8 -","4","0.5","","Simone G. Weber; David Zahner; Frank Rominger; Bernd F. Straub","A cationic gold complex cleaves BArF24","Chem.Commun.","2012","48","","11325","","10.1039/c2cc36171j","","","0.71073","MoKα","","0.0533","0.0462","","","0.1334","0.14","","","","","","1.106","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108584","9.237","0.002","14.84","0.003","15.433","0.004","66.612","0.004","74.734","0.004","81.644","0.004","1871.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O3 S3 -","- C36 H32 N4 O3 S3 -","- C72 H64 N8 O6 S6 -","2","1","","Yongqian Xu; Qin Liu; Xiaopeng Li; Chrys Wesdemiotis; Yi Pang","A zwitterionic squaraine dye with a large Stokes shift for in vivo and site-selective protein sensing","Chem.Commun.","2012","48","","11313","","10.1039/c2cc36285f","","","0.71073","MoKα","","0.1233","0.0837","","","0.179","0.1967","","","","","","1.035","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108585","16.6967","0.0011","4.2787","0.0003","13.1262","0.0008","90","","90","","90","","937.74","0.11","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","KETA 1,3,5-tris-[CH(=NOH)]-benzene","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Christer B. Aakeroy; Abhijeet S. Sinha; Kanishka N. Epa; Christine L. Spartz; John Desper","A versatile and green mechanochemical route for aldehyde-oxime conversions","Chem.Commun.","2012","48","","11289","","10.1039/c2cc36315a","","","0.71073","MoKα","","0.0636","0.0499","","","0.119","0.1302","","","","","","1.164","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108586","14.0075","0.0012","14.0075","0.0012","34.296","0.004","90","","90","","120","","5827.7","1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H39 B F12 P Si4 -","- C30 H39 B F12 P Si4 -","- C180 H234 B6 F72 P6 Si24 -","6","0.333333","","Katsuhiko Takeuchi; Douglas W. Stephan","Silyl-migrations in frustrated Lewis pair chemistry: reactions of (CH3)3Si)3P and B(C6F4H)3 with H2 and CO2","Chem.Commun.","2012","48","","11304","","10.1039/c2cc36470k","","","0.71073","MoKα","","0.0662","0.0567","","","0.1359","0.1461","","","","","","1.061","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108587","9.5675","0.0004","19.0878","0.0008","18.8223","0.0009","90","","93.567","0.002","90","","3430.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 B F12 O2 P Si3 -","- C28 H30 B F12 O2 P Si3 -","- C112 H120 B4 F48 O8 P4 Si12 -","4","1","","Katsuhiko Takeuchi; Douglas W. Stephan","Silyl-migrations in frustrated Lewis pair chemistry: reactions of (CH3)3Si)3P and B(C6F4H)3 with H2 and CO2","Chem.Commun.","2012","48","","11304","","10.1039/c2cc36470k","","","0.71073","MoKα","","0.105","0.0453","","","0.0754","0.0908","","","","","","0.995","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108588","10.8454","0.0004","11.2438","0.0004","15.412","0.0006","84.657","0.002","87.652","0.001","85.639","0.002","1864.72","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 B F12 O4 P Si3 -","- C29 H30 B F12 O4 P Si3 -","- C58 H60 B2 F24 O8 P2 Si6 -","2","1","","Katsuhiko Takeuchi; Douglas W. Stephan","Silyl-migrations in frustrated Lewis pair chemistry: reactions of (CH3)3Si)3P and B(C6F4H)3 with H2 and CO2","Chem.Commun.","2012","48","","11304","","10.1039/c2cc36470k","","","0.71073","MoKα","","0.0631","0.0404","","","0.0907","0.1021","","","","","","1.019","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108589","9.3251","0.0002","25.2593","0.0005","9.9285","0.0003","90","","91.103","0.003","90","","2338.18","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 Mn2 O12 P2 -","- C56 H42 Mn2 O12 P2 -","- C112 H84 Mn4 O24 P4 -","2","0.5","","Brendan F. Abrahams; Alan M. Bond; Thanh Hai Le; Laura J. McCormick; Ayman Nafady; Richard Robson; Nguyen Vo","Voltammetric reduction and re-oxidation of solid coordinati on polymers of dihydroxybenzoquinone","Chem.Commun.","2012","48","","11422","","10.1039/c2cc34687g","","","1.54184","CuKα","","0.105","0.0591","","","0.1259","0.1394","","","","","","0.937","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108590","9.3065","0.0002","25.9378","0.0005","9.9446","0.0002","90","","90.278","0.002","90","","2400.5","0.08","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 Cd2 O12 P2 -","- C56 H42 Cd2 O12 P2 -","- C112 H84 Cd4 O24 P4 -","2","0.5","","Brendan F. Abrahams; Alan M. Bond; Thanh Hai Le; Laura J. McCormick; Ayman Nafady; Richard Robson; Nguyen Vo","Voltammetric reduction and re-oxidation of solid coordinati on polymers of dihydroxybenzoquinone","Chem.Commun.","2012","48","","11422","","10.1039/c2cc34687g","","","1.54184","CuKα","","0.0935","0.0801","","","0.1868","0.1914","","","","","","1.253","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108591","17.039","0.003","17.039","0.003","17.039","0.003","90","","90","","90","","4946.9","1.5","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 N4.4 Zn -","- C8 H12 N4.4 Zn -","- C96 H144 N52.8 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0499","0.0415","","","0.0803","0.0847","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108592","17.086","0.002","17.086","0.002","17.086","0.002","90","","90","","90","","4987.9","1","113","2","113","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 N11 Zn -","- C8 H10 N11.0033 Zn -","- C96 H120 N132.04 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0378","0.0362","","","0.0916","0.0932","","","","","","1.056","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108593","17.12","0.002","17.12","0.002","17.12","0.002","90","","90","","90","","5017.8","1","111","2","111","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 N11.64 Zn -","- C8 H10 N11.6367 Zn -","- C96 H120 N139.64 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0648","0.0629","","","0.1586","0.1599","","","","","","1.075","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108594","17.1236","0.0019","17.1236","0.0019","17.1236","0.0019","90","","90","","90","","5020.9","1","109","2","109","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 N12.67 Zn -","- C8 H10 N12.6667 Zn -","- C96 H120 N152 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.03","0.0295","","","0.0752","0.0754","","","","","","1.025","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108595","17.133","0.002","17.133","0.002","17.133","0.002","90","","90","","90","","5029.2","1","100","2","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 N12.67 Zn -","- C8 H10 N12.6667 Zn -","- C96 H120 N152 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0342","0.0333","","","0.0822","0.0826","","","","","","1.049","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108596","17.019","0.003","17.019","0.003","17.019","0.003","90","","90","","90","","4929.5","1.5","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H8 N6.4 Zn -","- C6 H10 N6.4 Zn -","- C72 H120 N76.8 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.047","0.0369","","","0.0753","0.0798","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108597","17.0641","0.0019","17.0641","0.0019","17.0641","0.0019","90","","90","","90","","4968.8","1","118","2","118","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H8 N13 Zn -","- C6 H8 N12.9933 Zn -","- C72 H96 N155.92 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0347","0.0341","","","0.0878","0.0896","","","","","","1.038","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108598","17.082","0.002","17.082","0.002","17.082","0.002","90","","90","","90","","4984.4","1","115","2","115","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H8 N14.67 Zn -","- C6 H10 N14.6667 Zn -","- C72 H120 N176 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0426","0.0423","","","0.1106","0.1109","","","","","","1.039","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108599","17.055","0.0008","17.055","0.0008","17.055","0.0008","90","","90","","90","","4960.8","0.4","100","2","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H8 N13 Zn -","- C6 H8 N12.9933 Zn -","- C72 H96 N155.92 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0422","0.0422","","","0.1209","0.1209","","","","","","1.075","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108600","17.0659","0.0012","17.0659","0.0012","17.0659","0.0012","90","","90","","90","","4970.4","0.6","100","2","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H8 N13.91 Zn -","- C6 H10 N13.9167 Zn -","- C72 H120 N167 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0632","0.0629","","","0.1679","0.1683","","","","","","1.123","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108601","17.0797","0.0019","17.0797","0.0019","17.0797","0.0019","90","","90","","90","","4982.4","1","100","2","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H8 N14.67 Zn -","- C6 H8 N14.67 Zn -","- C72 H96 N176.04 Zn12 -","12","0.25","","Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen","Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites","Chem.Commun.","2012","48","","11395","","10.1039/c2cc35544b","","","0.71073","MoKα","","0.0306","0.0302","","","0.075","0.0754","","","","","","1.053","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108602","17.2445","0.0003","10.5987","0.0002","34.1242","0.0007","90","","101.031","0.0015","90","","6121.6","0.2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C63 H101 P3 -","- C63 H101 P3 -","- C252 H404 P12 -","4","1","","Hideaki Miyake; Takahiro Sasamori; Judy I-Chia Wu; Paul Schleyer; Norihiro Tokitoh","The 4,5,6-triphospha[3]radialene dianion: a phosphorus analogue of the deltate dianion. A NICS(0)?zz examination of their aromaticity","Chem.Commun.","2012","48","","11440","","10.1039/c2cc35978b","","","0.71069","MoKα","","0.1045","0.0522","","","0.1137","0.1446","","","","","","1.014","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108603","12.653","0.0013","29.02","0.002","25.145","0.003","90","","91.852","0.007","90","","9228.2","1.6","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H152 Li2 O13 P3 -","- C83 H152 Li2 O13 P3 -","- C332 H608 Li8 O52 P12 -","4","1","","Hideaki Miyake; Takahiro Sasamori; Judy I-Chia Wu; Paul Schleyer; Norihiro Tokitoh","The 4,5,6-triphospha[3]radialene dianion: a phosphorus analogue of the deltate dianion. A NICS(0)?zz examination of their aromaticity","Chem.Commun.","2012","48","","11440","","10.1039/c2cc35978b","","","0.71075","MoKα","","0.1796","0.0868","","","0.2096","0.2629","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108604","13.1529","0.0009","13.066","0.0007","9.0291","0.0006","90","","108.679","0.008","90","","1469.97","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(benzylamino)-2-methyl-1-phenylpropan-1-ol","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Adam D. J. Calow; Andrei S. Batsanov; Elena Fernandez; Cristina Sole; Andrew Whiting","Novel transformation of alpha,beta-unsaturated aldehydes and ketones into gamma-amino alcohols or 1,3-oxazines via a 4 or 5 step, one-pot sequence","Chem.Commun.","2012","48","","11401","","10.1039/c2cc36129a","","","0.7107","MoKα","","0.0837","0.0652","","","0.1485","0.1569","","","","","","1.107","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108605","9.0392","0.0019","19.712","0.004","13.727","0.003","90","","94.522","0.016","90","","2438.3","0.9","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Hiroyuki Tanaka; Katsuyuki Shizu; Hiroshi Miyazaki; Chihaya Adachi","Efficient green thermally activated delayed fluorescence (TADF) from a phenoxazine-triphenyltriazine (PXZ-TRZ) derivative","Chem.Commun.","2012","48","","11392","","10.1039/c2cc36237f","","","1.54187","CuKα","","","0.0376","","","","0.0885","","","","","","0.95","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108606","12.587","0.003","18.349","0.004","13.403","0.003","90","","106.57","0.03","90","","2967","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H8 F10 N6 O6 -","- C30 H8 F10 N6 O6 -","- C120 H32 F40 N24 O24 -","4","1","","De-Xian Wang; Shi-Xin Fa; Yang Liu; Bao-Yong Hou; Mei-Xiang Wang","Anion-directed assembly of a rectangular supramolecular cage in the solid state with electron-deficient phenoxylated oxacalix[2]arene[2]triazine","Chem.Commun.","2012","48","","11458","","10.1039/c2cc36465d","","","0.71073","MoKα","","0.154","0.1296","","","0.2943","0.311","","","","","","1.386","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108607","12.102","0.002","12.29","0.003","13.841","0.003","66.29","0.03","76.08","0.03","86.19","0.03","1828.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 Cl N7 O7 -","- C38 H40 Cl N7 O7 -","- C76 H80 Cl2 N14 O14 -","2","1","","De-Xian Wang; Shi-Xin Fa; Yang Liu; Bao-Yong Hou; Mei-Xiang Wang","Anion-directed assembly of a rectangular supramolecular cage in the solid state with electron-deficient phenoxylated oxacalix[2]arene[2]triazine","Chem.Commun.","2012","48","","11458","","10.1039/c2cc36465d","","","0.71073","MoKα","","0.061","0.0508","","","0.1127","0.1183","","","","","","1.11","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108608","35.328","0.005","35.328","0.005","12.311","0.003","90","","90","","120","","13306","4","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H18 N6 O6 -","- C30 H18 N6 O6 -","- C540 H324 N108 O108 -","18","1","","De-Xian Wang; Shi-Xin Fa; Yang Liu; Bao-Yong Hou; Mei-Xiang Wang","Anion-directed assembly of a rectangular supramolecular cage in the solid state with electron-deficient phenoxylated oxacalix[2]arene[2]triazine","Chem.Commun.","2012","48","","11458","","10.1039/c2cc36465d","","","0.71073","MoKα","","0.09","0.0704","","","0.1557","0.1669","","","","","","1.178","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108609","8.689","0.0012","11.6597","0.0016","16.959","0.002","90","","90","","90","","1718.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","1","","Yongshu Xie; Yubin Ding; Xin Li; Cheng Wang; Jonathan P. Hill; Katsuhiko Ariga; Weibing Zhang; Weihong Zhu","Selective, sensitive and reversible 'turn-on' fluorescent cyanide probes based on 2,2'-dipyridylaminoanthracene-Cu^2+^ ensembles","Chem.Commun.","2012","48","","11513","","10.1039/c2cc36140j","","","0.71073","MoKα","","0.0446","0.0404","","","0.0937","0.0954","","","","","","1.13","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108610","7.975","0.003","8.53","0.003","11.592","0.005","90","","108.387","0.004","90","","748.3","0.5","123","2","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 O Si -","- C18 H18 O Si -","- C36 H36 O2 Si2 -","2","1","","Yu Kurihara; Michihiro Nishikawa; Yoshinori Yamanoi; Hiroshi Nishihara","Synthesis of optically active tertiary silanes via Pd-catalyzed enantioselective arylation of secondary silanes","Chem.Commun.","2012","48","","11564","","10.1039/c2cc36238d","","","0.7107","MoKα","","","0.0277","","","","0.0719","","","","","","1.078","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7108611","15.3417","0.001","12.4564","0.0008","13.907","0.0009","90","","110.818","0.001","90","","2484.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","\1","","","- C29 H32 N2 O8 -","- C29 H32 N2 O8 -","- C116 H128 N8 O32 -","4","1","","Leigh Loots; Helene Wahl; Leandi van der Westhuizen; Delia A. Haynes; Tanya le Roex","Interconversion between different stoichiometric forms of a three-component crystal via liquid-assisted grinding","Chem.Commun.","2012","48","","11507","","10.1039/c2cc36313e","","","0.71073","MoKα","","0.0442","0.0381","","","0.1005","0.1058","","","","","","1.052","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108612","13.8658","0.0004","9.0624","0.0003","26.4347","0.0009","90","","95.548","0.002","90","","3306.16","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","\2","","","- C35 H46 N4 O9 -","- C35 H46 N4 O9 -","- C140 H184 N16 O36 -","4","1","","Leigh Loots; Helene Wahl; Leandi van der Westhuizen; Delia A. Haynes; Tanya le Roex","Interconversion between different stoichiometric forms of a three-component crystal via liquid-assisted grinding","Chem.Commun.","2012","48","","11507","","10.1039/c2cc36313e","","","0.71073","MoKα","","0.0785","0.0489","","","0.1074","0.1221","","","","","","1.019","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108613","11.419","0.003","18.531","0.004","17.89","0.004","90","","122.434","0.003","90","","3195.1","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","\3","","","- C35 H45.4 N4 O8.7 -","- C35 H45.4 N4 O8.7 -","- C140 H181.6 N16 O34.8 -","4","1","","Leigh Loots; Helene Wahl; Leandi van der Westhuizen; Delia A. Haynes; Tanya le Roex","Interconversion between different stoichiometric forms of a three-component crystal via liquid-assisted grinding","Chem.Commun.","2012","48","","11507","","10.1039/c2cc36313e","","","0.71073","MoKα","","0.053","0.0427","","","0.1045","0.1112","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108614","7.0327","0.0005","9.2545","0.0007","12.4679","0.0009","82.8208","0.0011","77.3755","0.0011","73.6561","0.0012","758.1","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Xu XXU-NOH-Br","Xu XXU-NOH-Br","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C36 H28 Br2 N2 O4 -","2","1","","Xinfang Xu; Peter Y. Zavalij; Wenhao Hu; Michael P. Doyle","Efficient synthesis of oxazoles by dirhodium(II)-catalyzed reactions of styryl diazoacetate with oximes","Chem.Commun.","2012","48","","11522","","10.1039/c2cc36537e","","","0.71073","MoKα","","0.0329","0.03","","","0.0643","0.0657","","","","","","1","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108615","16.029","0.005","5.2953","0.0017","29.392","0.01","90","","92.478","0.004","90","","2492.4","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C96 H96 Cl8 N8 O32 -","8","1","","Xinfang Xu; Peter Y. Zavalij; Wenhao Hu; Michael P. Doyle","Efficient synthesis of oxazoles by dirhodium(II)-catalyzed reactions of styryl diazoacetate with oximes","Chem.Commun.","2012","48","","11522","","10.1039/c2cc36537e","","","0.71073","MoKα","","0.0924","0.0896","","","0.2226","0.2234","","","","","","1.175","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108616","10.3044","0.0005","10.665","0.0005","16.0642","0.0007","90","","90","","90","","1765.4","0.14","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Diethyl ((2R)-2-((S)-(tert-butylsulfinyl)amino)-3,3,3- trifluoropropyl)phosphonate","Diethyl {(2R)-2-[(S)-(tert-butylsulfinyl)amino]- 3,3,3-trifluoropropyl}phosphonate","","- C11 H23 F3 N O4 P S -","- C11 H23 F3 N O4 P S -","- C44 H92 F12 N4 O16 P4 S4 -","4","1","","Kostiantyn V. Turcheniuk; Kateryna O. Poliashko; Valery P. Kukhar; Alexander B. Rozhenko; Vadim A. Soloshonok; Alexander E. Sorochinsky","Efficient asymmetric synthesis of trifluoromethylated beta-aminophosphonates and their incorporation into dipeptides","Chem.Commun.","2012","48","","11519","","10.1039/c2cc36702e","","","0.71073","MoKα","","0.0882","0.0496","","","0.1084","0.1275","","","","","","1.017","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108617","5.869","0.002","7.691","0.003","18.82","0.02","95.74","0.05","96.48","0.05","106.4","0.03","801.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N Si -","- C18 H18 N Si -","- C36 H36 N2 Si2 -","2","1","","Tommy Kenny; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Convenient tautomeric forms in an amino-anthraquinone diimine for the generation of a mixed-valent push-pull conjugated polymer","Chem.Commun.","2012","48","","11543","","10.1039/c2cc36768h","","","1.54176","CuKα","","0.1946","0.0845","","","0.1968","0.2447","","","","","","0.913","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108618","15.755","0.006","10.225","0.008","23.4","0.011","90","","97.72","0.04","90","","3735","4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H41.75 N2 O2 Si2 -","- C39.924 H41.848 N2 O1.962 Si2 -","- C159.696 H167.392 N8 O7.848 Si8 -","4","1","","Tommy Kenny; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Convenient tautomeric forms in an amino-anthraquinone diimine for the generation of a mixed-valent push-pull conjugated polymer","Chem.Commun.","2012","48","","11543","","10.1039/c2cc36768h","","","0.71073","MoKα","","0.2419","0.0835","","","0.1594","0.1987","","","","","","0.886","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108619","33.6525","0.0006","33.6525","0.0006","4.80132","0.00011","90","","90","","120","","4708.97","0.16","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C144 H90 Cu9 N36 O36 -","9","","","Chris S. Hawes; Ravichandar Babarao; Matthew R. Hill; Keith F. White; Brendan F. Abrahams; Paul E. Kruger","Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer","Chem.Commun.","2012","48","","11558","","10.1039/c2cc37453f","","","1.5418","CuKα","","0.0396","0.0379","","","0.1331","0.1348","","","","","","1.194","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108620","33.6966","0.0008","33.6966","0.0008","4.78817","0.00013","90","","90","","120","","4708.4","0.2","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C144 H90 Cu9 N36 O36 -","9","","","Chris S. Hawes; Ravichandar Babarao; Matthew R. Hill; Keith F. White; Brendan F. Abrahams; Paul E. Kruger","Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer","Chem.Commun.","2012","48","","11558","","10.1039/c2cc37453f","","","1.5418","CuKα","","0.0284","0.0265","","","0.0697","0.0711","","","","","","1.052","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108621","13.9973","0.0005","17.244","0.0006","4.8028","0.0002","90","","90","","90","","1159.25","0.08","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H15 N2 O6.5 -","- C10 H15 N2 O6.5 -","- C40 H60 N8 O26 -","4","1","","Sen Wang; Xin Wen; Pavle Nikolovski; Vonny Juwita; Josh Fnu Arifin","Expanding the molecular recognition repertoire of antifreeze polypeptides: effects on nucleoside crystal growth","Chem.Commun.","2012","48","","11555","","10.1039/c2cc36264c","","","0.71073","MoKα","","0.0343","0.0318","","","0.0554","0.0558","","","","","","2.877","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7108622","9.5601","0.0019","14.382","0.003","18.401","0.005","90","","113.56","0.02","90","","2319.1","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O9 Zn -","- C26 H18 N2 O9 Zn -","- C104 H72 N8 O36 Zn4 -","4","1","","Yu Zeng; Shijun Liao; Jingcao Dai; Zhiyong Fu","Fluorescent and photochromic bifunctional molecular switch based on a stable crystalline metal-viologen complex","Chem.Commun.","2012","48","","11641","","10.1039/c2cc35115c","","","0.71073","MoKα","","0.0611","0.0461","","","0.1322","0.1513","","","","","","1.021","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108623","28.0037","0.0001","28.0037","0.0001","28.0037","0.0001","90","","90","","90","","21960.7","0.14","161","2","161","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C108 H314 Cu18 N30 O124 S20 -","- C108 H314 Cu18 N30 O124 S20 -","- C432 H1256 Cu72 N120 O496 S80 -","4","0.166667","","Zilu Zilu; Yifei Wang; Long Liu; Zhong Zhang; Fupei Liang","A six-bladed impeller-like Cu18 nanocluster with S6 symmetry constructed from simple inorganic linkers","Chem.Commun.","2012","48","","11689","","10.1039/c2cc36056j","","","1.54178","CuKα","","0.0847","0.0747","","","0.205","0.2164","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108624","10.4331","0.0005","11.4045","0.0005","11.4271","0.0006","90","","97.021","0.004","90","","1349.45","0.11","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(4-hydroxy-carboxyphenylamino)methylene]naphthalene-2(1H)-one","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Dominik Cincic; Ivana Brekalo; Branko Kaitner","Effect of atmosphere on solid-state amine-aldehyde condensations: gas-phase catalysts for solid-state transformations","Chem.Commun.","2012","48","","11683","","10.1039/c2cc36357g","","","0.71073","MoKα","","0.0863","0.0549","","","0.1279","0.1459","","","","","","1.017","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108625","11.0959","0.0006","8.3683","0.0004","14.7951","0.0008","90","","100.062","0.005","90","","1352.65","0.12","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-hydroxy-5-[N-(4-hydroxy-3-methoxybenzylidene)]aminobenzoate monohydrate","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","1","","Dominik Cincic; Ivana Brekalo; Branko Kaitner","Effect of atmosphere on solid-state amine-aldehyde condensations: gas-phase catalysts for solid-state transformations","Chem.Commun.","2012","48","","11683","","10.1039/c2cc36357g","","","0.71073","MoKα","","0.0687","0.0408","","","0.0953","0.1007","","","","","","0.889","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108626","18.5722","0.0006","6.3147","0.0003","16.7573","0.0007","90","","93.197","0.003","90","","1962.2","0.14","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Zi Liu; Guang-Peng Fan; Guan-Wu Wang","Unexpected manganese(III) acetate-mediated reactions of beta-enamino carbonyl compounds with 1-(pyridin-2-yl)-enones under mechanical milling conditions","Chem.Commun.","2012","48","","11665","","10.1039/c2cc36360g","","","1.54184","CuKα","","0.0694","0.0503","","","0.1379","0.1614","","","","","","1.031","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108627","16.311","0.003","26.899","0.005","13.696","0.002","90","","109.885","0.004","90","","5650.8","1.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H84 I2 N12 Ni2 O2 Pd -","- C104 H84 I2 N12 Ni2 O2 Pd -","- C208 H168 I4 N24 Ni4 O4 Pd2 -","2","0.5","","Julien Haumesser; Jean-Paul Gisselbrecht; Jean Weiss; Romain Ruppert","Carbene spacers in bis-porphyrinic scaffolds","Chem.Commun.","2012","48","","11653","","10.1039/c2cc36800e","","","0.71073","MoKα","","0.1655","0.0887","","","0.2348","0.2684","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108628","27.689","0.005","7.9853","0.0016","18.998","0.004","90","","93.73","0.03","90","","4191.7","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C176 H184 N8 O48 -","8","1","","Hongda Li; Zhi Wen; Longyi Jin; Yuhe Kan; Bingzhu Yin","A coumarin-Meldrum's acid conjugate based chemodosimetric probe for cyanide","Chem.Commun.","2012","48","","11659","","10.1039/c2cc36838b","","","0.71073","MoKα","","0.2751","0.0951","","","0.2325","0.3556","","","","","","0.903","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108629","11.721","0.002","9.7355","0.0019","12.776","0.003","90","","112.96","0.03","90","","1342.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N S -","- C16 H15 N S -","- C64 H60 N4 S4 -","4","1","","Min Chen; Zhi-Tang Huang; Qi-Yu Zheng","Visible light-induced 3-sulfenylation of N-methylindoles with arylsulfonyl chlorides","Chem.Commun.","2012","48","","11686","","10.1039/c2cc36866h","","","0.71073","MoKα","","0.078","0.0699","","","0.1458","0.1501","","","","","","1.238","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108630","4.888","0.0004","20.1498","0.0015","16.3117","0.0011","90","","94.175","0.005","90","","1602.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N4 O6 -","- C35 H40 N4 O6 -","- C70 H80 N8 O12 -","2","1","","Huijun Dong; Chris Limberakis; Spiros Liras; David Price; Keith James","Peptidic macrocyclization via palladium-catalyzed chemoselective indole C-2 arylation","Chem.Commun.","2012","48","","11644","","10.1039/c2cc36962a","","","1.54178","CuKα","","0.0803","0.0654","","","0.1532","0.1608","","","","","","1.048","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108631","17.111","0.013","9.641","0.007","20.781","0.016","90","","99.619","0.01","90","","3380","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N2 O2 S -","- C39 H35 N2 O2 S -","- C156 H140 N8 O8 S4 -","4","1","","Min Yang; Jie Tang; Renhua Fan","Accessing N-heteroarylated indoles and benzimidazoles from 2-alkynyl cyclohexadienimines and cyclohexadienones through metal-catalyzed tandem reactions","Chem.Commun.","2012","48","","11775","","10.1039/c2cc36113b","","","0.71073","MoKα","","0.0854","0.0578","","","0.1509","0.1704","","","","","","0.992","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108632","9.856","0.007","10.337","0.007","12.127","0.008","110.153","0.009","113.335","0.009","91.558","0.009","1045.6","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O -","- C29 H21 N O -","- C58 H42 N2 O2 -","2","1","","Min Yang; Jie Tang; Renhua Fan","Accessing N-heteroarylated indoles and benzimidazoles from 2-alkynyl cyclohexadienimines and cyclohexadienones through metal-catalyzed tandem reactions","Chem.Commun.","2012","48","","11775","","10.1039/c2cc36113b","","","0.71073","MoKα","","0.0965","0.0572","","","0.1336","0.1485","","","","","","1.014","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108633","9.853","0.005","11.525","0.006","14.101","0.007","66.162","0.006","86.923","0.007","77.351","0.006","1428","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H27 N3 O2 S -","- C35 H27 N3 O2 S -","- C70 H54 N6 O4 S2 -","2","1","","Min Yang; Jie Tang; Renhua Fan","Accessing N-heteroarylated indoles and benzimidazoles from 2-alkynyl cyclohexadienimines and cyclohexadienones through metal-catalyzed tandem reactions","Chem.Commun.","2012","48","","11775","","10.1039/c2cc36113b","","","0.71073","MoKα","","0.0796","0.0604","","","0.1524","0.1671","","","","","","1.012","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108634","10.49","0.0003","14.2863","0.0004","20.8403","0.0006","90","","99.811","0.001","90","","3077.52","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Cl O4 -","- C14 H19 Cl O4 -","- C112 H152 Cl8 O32 -","8","2","","Qiong Yu; Shengming Ma","Lewis acid-catalyzed unexpected selective C-C bond cleavage: an efficient and mild construction of cyclopentenes","Chem.Commun.","2012","48","","11784","","10.1039/c2cc36672j","","","0.71073","MoKα","","0.0964","0.0693","","","0.1889","0.2146","","","","","","1.04","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108635","38.3358","0.0008","11.6945","0.0006","17.4973","0.0005","90","","111.156","0.002","90","","7315.7","0.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H17 B F20 N3 P -","- C36 H17 B F20 N3 P -","- C288 H136 B8 F160 N24 P8 -","8","1","","Annika Stute; Lukas Heletta; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Anomalous Staudinger reaction at intramolecular frustrated P-B Lewis pair frameworks","Chem.Commun.","2012","48","","11739","","10.1039/c2cc36782c","","","1.54178","CuKα","","0.0454","0.0378","","","0.0948","0.1011","","","","","","1.025","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108636","10.3617","0.0001","12.6512","0.0001","19.2962","0.0002","78.926","0.001","84.773","0.001","74.64","0.001","2391.57","0.04","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H45 B Cl2 F10 N3 P -","- C44.5 H45 B Cl2 F10 N3 P -","- C89 H90 B2 Cl4 F20 N6 P2 -","2","1","","Annika Stute; Lukas Heletta; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Anomalous Staudinger reaction at intramolecular frustrated P-B Lewis pair frameworks","Chem.Commun.","2012","48","","11739","","10.1039/c2cc36782c","","","1.54178","CuKα","","0.077","0.071","","","0.2002","0.2084","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108637","10.1955","0.0005","11.4489","0.0005","14.1284","0.0005","66.764","0.002","78.902","0.003","89.099","0.003","1483.74","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H10 B F20 N P -","- C30 H10 B F20 N P -","- C60 H20 B2 F40 N2 P2 -","2","1","","Annika Stute; Lukas Heletta; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Anomalous Staudinger reaction at intramolecular frustrated P-B Lewis pair frameworks","Chem.Commun.","2012","48","","11739","","10.1039/c2cc36782c","","","1.54178","CuKα","","0.0781","0.0584","","","0.1457","0.1646","","","","","","1.013","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108638","11.1667","0.0004","14.5051","0.0008","18.7777","0.001","90","","100.307","0.002","90","","2992.4","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 B F10 N P -","- C32 H27 B F10 N P -","- C128 H108 B4 F40 N4 P4 -","4","1","","Annika Stute; Lukas Heletta; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Anomalous Staudinger reaction at intramolecular frustrated P-B Lewis pair frameworks","Chem.Commun.","2012","48","","11739","","10.1039/c2cc36782c","","","1.54178","CuKα","","0.0623","0.0502","","","0.1306","0.1415","","","","","","1.02","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108639","11.8538","0.0004","16.1096","0.0005","13.2359","0.0003","90","","91.891","0.002","90","","2526.15","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H10 B F15 N2 -","- C27 H10 B F15 N2 -","- C108 H40 B4 F60 N8 -","4","1","","Annika Stute; Lukas Heletta; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Anomalous Staudinger reaction at intramolecular frustrated P-B Lewis pair frameworks","Chem.Commun.","2012","48","","11739","","10.1039/c2cc36782c","","","1.54178","CuKα","","0.0454","0.0398","","","0.0979","0.1025","","","","","","1.056","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108640","27.076","0.017","8.21","0.004","17.965","0.011","90","","119.619","0.013","90","","3472","4","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 Br O3 -","- C22 H13 Br O3 -","- C176 H104 Br8 O24 -","8","1","","Masahito Yoshida; Koya Saito; Yuta Fujino; Takayuki Doi","A concise synthesis of 3-aroylflavones via Lewis base 9-azajulolidine-catalyzed tandem acyl transfer-cyclization","Chem.Commun.","2012","48","","11796","","10.1039/c2cc37015h","","","0.71075","MoKα","","","0.1527","","","","0.2342","","","","","","1.25","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108641","9.685","0.002","20.844","0.004","13.606","0.002","90","","108.383","0.003","90","","2606.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H56 Ca N6 O4 -","- C64 H56 Ca N6 O4 -","- C128 H112 Ca2 N12 O8 -","2","1","","Tracy D. Nixon; Benjamin D. Ward","Calcium amido-bisoxazoline complexes in asymmetric hydroamination/cyclisation catalysis","Chem.Commun.","2012","48","","11790","","10.1039/c2cc37021b","","","1.54187","CuKα","","0.0316","0.0305","","","0.0813","0.0818","","","","","","1.052","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108642","13.01","0.003","15.894","0.003","18.593","0.004","90","","93.258","0.003","90","","3838.5","1.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Ir N3 O -","- C48 H50 Ir N3 O -","- C192 H200 Ir4 N12 O4 -","4","1","","Gregory M. Ferrence; Timothy D. Lash; Komal Pokharel; Matthias Zeller","Iridium(III) azuliporphyrins","Chem.Commun.","2012","48","","11793","","10.1039/c2cc37104a","","x-ray","0.71073","MoKα","","0.1003","0.0553","","","0.1051","0.1168","","","","","","1.047","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108643","14.4711","0.0002","28.85","0.0005","7.6973","0.0001","90","","93.099","0.001","90","","3208.86","0.08","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3-bis(5-methyl-2-phenyl-4-thiazolyl)-1-phenylinden-1-ol","","- C36 H27 Cl3 N2 O S2 -","- C36 H27 Cl3 N2 O S2 -","- C144 H108 Cl12 N8 O4 S8 -","4","1","","Hatsune Ogawa; Kazuya Takagi; Takashi Ubukata; Akiko Okamoto; Noriyuki Yonezawa; Stephanie Delbaere; Yasushi Yokoyama","Bisarylindenols: fixation of conformation leads to exceptional properties of photochromism based on 6pi-electrocyclization","Chem.Commun.","2012","48","","11838","","10.1039/c2cc35793c","","","1.54187","CuKα","","0.0517","0.0485","","","0.1425","0.146","","","","","","1.084","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108644","29.0302","0.0005","29.0302","0.0005","29.0302","0.0005","90","","90","","90","","24465.3","0.7","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C6 H4 Co N6 O4 -","- C6 H4 Co N6 O4 -","- C288 H192 Co48 N288 O192 -","48","0.5","","Bishnu P. Biswal; Tamas Panda; Rahul Banerjee","Solution mediated phase transformation (RHO to SOD) in porous Co-imidazolate based zeolitic frameworks with high water stability","Chem.Commun.","2012","48","","11868","","10.1039/c2cc36651g","","","1.54184","CuKα","","0.1648","0.0875","","","0.2338","0.2688","","","","","","0.871","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108645","41.4543","0.0015","41.4543","0.0015","41.4543","0.0015","90","","90","","90","","71238","4","173","2","173","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C56 H24 Cl Cu4 O16 -","- C56 H24 Cl Cu4 O16 -","- C1344 H576 Cl24 Cu96 O384 -","24","0.125","","Yun-Nan Gong; Miao Meng; Di-Chang Zhong; Yong-Liang Huang; Long Jiang; Tong-Bu Lu","Counter-cation modulation of hydrogen and methane storage in a sodalite-type porous metal-organic framework","Chem.Commun.","2012","48","","12002","","10.1039/c2cc35461f","","","0.71073","MoKα","","0.0481","0.0353","","","0.0878","0.0923","","","","","","1.068","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108646","12.4528","0.0001","16.8943","0.0002","19.4968","0.0002","84.63","0.0004","87.249","0.0004","89.4415","0.0005","4079","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 B2 F24 Ir N5 -","- C80 H80 B2 F24 Ir N5 -","- C160 H160 B4 F48 Ir2 N10 -","2","1","","Christina Y. Tang; Nicholas Phillips; Michael J. Kelly; Simon Aldridge","Hydrogen shuttling: synthesis and reactivity of a 14-electron iridium complex featuring a bis(alkyl) tethered N-heterocyclic carbene ligand","Chem.Commun.","2012","48","","11999","","10.1039/c2cc35947b","","","0.71073","MoKα","","0.0631","0.0475","","0.11","0.1028","0.11","","","","","","0.9901","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108647","13.578","0.0001","16.5514","0.0001","17.8145","0.0001","80.1426","0.0003","82.4277","0.0003","89.6505","0.0003","3909.48","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H70 B2 F24 Ir N5 -","- C77 H70 B2 F24 Ir N5 -","- C154 H140 B4 F48 Ir2 N10 -","2","1","","Christina Y. Tang; Nicholas Phillips; Michael J. Kelly; Simon Aldridge","Hydrogen shuttling: synthesis and reactivity of a 14-electron iridium complex featuring a bis(alkyl) tethered N-heterocyclic carbene ligand","Chem.Commun.","2012","48","","11999","","10.1039/c2cc35947b","","","0.71073","MoKα","","0.0408","0.0355","","0.0883","0.0776","0.0883","","","","","","0.8202","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108648","16.99","0.0002","20.4349","0.0002","21.0342","0.0003","90","","104.897","0.0005","90","","7057.37","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H58 B F24 Ir N4 -","- C74 H58 B F24 Ir N4 -","- C296 H232 B4 F96 Ir4 N16 -","4","1","","Christina Y. Tang; Nicholas Phillips; Michael J. Kelly; Simon Aldridge","Hydrogen shuttling: synthesis and reactivity of a 14-electron iridium complex featuring a bis(alkyl) tethered N-heterocyclic carbene ligand","Chem.Commun.","2012","48","","11999","","10.1039/c2cc35947b","","","0.71073","MoKα","","0.0662","0.044","","0.0923","0.0854","0.0923","","","","","","0.9983","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108649","15.025","0.0014","15.9524","0.0015","16.6905","0.0016","84.323","0.001","65.105","0.001","78.884","0.001","3560","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H70 Cl2 Li N7 O Si2 Yb2 -","- C49 H70 Cl2 Li N7 O Si2 Yb2 -","- C98 H140 Cl4 Li2 N14 O2 Si4 Yb4 -","2","1","","Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun","Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals","Chemical Communications (Cambridge, United Kingdom)","2012","48","98","12020","12022","10.1039/c2cc36045d","","","0.71073","MoKα","","0.145","0.0655","","","0.2055","0.253","","","","","","1.033","","","","has coordinates","210889","2020-10-21","18:00:00",""
"7108650","15.0187","0.0013","16.0047","0.0014","16.6926","0.0014","84.159","0.001","64.945","0.001","78.9","0.001","3565.9","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H70 Cl2 Li N7 O Si2 Y2 -","- C49 H70 Cl2 Li N7 O Si2 Y2 -","- C98 H140 Cl4 Li2 N14 O2 Si4 Y4 -","2","1","","Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun","Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals","Chemical Communications (Cambridge, United Kingdom)","2012","48","98","12020","12022","10.1039/c2cc36045d","","","0.71073","MoKα","","0.1914","0.0888","","","0.2847","0.3462","","","","","","1.014","","","","has coordinates","210889","2020-10-21","18:00:00",""
"7108651","9.1116","0.0008","11.2374","0.001","12.0801","0.0011","97.257","0.001","100.059","0.001","101.907","0.001","1174.63","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H66 Li4 N6 Si4 -","- C38 H66 Li4 N6 Si4 -","- C38 H66 Li4 N6 Si4 -","1","0.5","","Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun","Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals","Chemical Communications (Cambridge, United Kingdom)","2012","48","98","12020","12022","10.1039/c2cc36045d","","","0.71073","MoKα","","0.0617","0.0434","","","0.1204","0.134","","","","","","1.048","","","","has coordinates","210889","2020-10-21","18:00:00",""
"7108652","12.454","0.003","15.076","0.003","15.519","0.003","90","","124.822","0.013","90","","2392","1","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H70 Li N6 Si4 Yb -","- C38 H70 Li N6 Si4 Yb -","- C76 H140 Li2 N12 Si8 Yb2 -","2","0.5","","Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun","Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals","Chemical Communications (Cambridge, United Kingdom)","2012","48","98","12020","12022","10.1039/c2cc36045d","","","0.71073","MoKα","","0.1321","0.0684","","","0.1418","0.1726","","","","","","1.009","","","","has coordinates","210889","2020-10-21","18:00:00",""
"7108653","12.431","0.002","15.176","0.003","15.3466","0.0017","90","","124.166","0.009","90","","2395.5","0.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H70 Li N6 Si4 Y -","- C38 H70 Li N6 Si4 Y -","- C76 H140 Li2 N12 Si8 Y2 -","2","0.5","","Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun","Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals","Chemical Communications (Cambridge, United Kingdom)","2012","48","98","12020","12022","10.1039/c2cc36045d","","","0.71073","MoKα","","0.1974","0.062","","","0.087","0.1067","","","","","","1.121","","","","has coordinates","210889","2020-10-21","18:00:00",""
"7108654","11.9972","0.0008","13.3074","0.0009","21.3606","0.0015","105.787","0.001","102.553","0.001","92.619","0.001","3183.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H81 N6 O2 Yb -","- C59 H81 N6 O2 Yb -","- C118 H162 N12 O4 Yb2 -","2","1","","Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun","Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals","Chemical Communications (Cambridge, United Kingdom)","2012","48","98","12020","12022","10.1039/c2cc36045d","","","0.71073","MoKα","","0.041","0.0326","","","0.0855","0.0892","","","","","","0.983","","","","has coordinates,has disorder","210889","2020-10-21","18:00:00",""
"7108655","11.863","0.0012","13.341","0.0014","20.967","0.002","106.19","0.006","102.549","0.013","91.116","0.007","3099.2","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H89 N6 O2 Y -","- C66 H89 N6 O2 Y -","- C132 H178 N12 O4 Y2 -","2","1","","Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun","Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals","Chemical Communications (Cambridge, United Kingdom)","2012","48","98","12020","12022","10.1039/c2cc36045d","","","0.71075","MoKα","","0.058","0.0447","","","0.0938","0.0982","","","","","","0.974","","","","has coordinates","210889","2020-10-21","18:00:00",""
"7108656","13.8161","0.0004","9.6613","0.0002","11.7717","0.0003","90","","107.268","0.001","90","","1500.48","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Alexander A. Bisset; Akira Shiibashi; Jasmine L. Desmond; Allan Dishington; Teyrnon Jones; Guy J. Clarkson; Takao Ikariya; Martin Wills","Synthesis and asymmetric hydrogenation of (3E)-1-benzyl-3-[(2-oxopyridin-1(2H)-yl)methylidene]piperidine-2,6-dione","Chem.Commun.","2012","48","","11978","","10.1039/c2cc36807b","","","0.71073","MoKα","","0.0561","0.0407","","","0.104","0.112","","","","","","1.035","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108657","14.0338","0.0005","8.3474","0.0003","13.1017","0.0003","90","","96.381","0.002","90","","1525.3","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Alexander A. Bisset; Akira Shiibashi; Jasmine L. Desmond; Allan Dishington; Teyrnon Jones; Guy J. Clarkson; Takao Ikariya; Martin Wills","Synthesis and asymmetric hydrogenation of (3E)-1-benzyl-3-[(2-oxopyridin-1(2H)-yl)methylidene]piperidine-2,6-dione","Chem.Commun.","2012","48","","11978","","10.1039/c2cc36807b","","","0.71073","MoKα","","0.0822","0.0483","","","0.1161","0.1333","","","","","","1.031","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108658","10.186","0.003","11.139","0.003","31.748","0.008","94.892","0.003","90.356","0.004","94.067","0.004","3579.8","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H70 Cl4 N8 O5 -","- C82 H69 Cl4 N8 O5 -","- C164 H138 Cl8 N16 O10 -","2","1","","Tuan-Jie Li; Hong-Mei Yin; Chang-Sheng Yao; Xiang-Shan Wang; Bo Jiang; Shujiang Tu; Guigen Li","A one-pot multicomponent strategy for stereospecific construction of tricyclic pyrrolo[1,2-a]quinolines","Chem.Commun.","2012","48","","11966","","10.1039/c2cc37066b","","","0.71073","MoKα","","0.1224","0.0882","","","0.2415","0.273","","","","","","1.048","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108662","5.0689","0.0002","10.5607","0.0005","12.7211","0.0006","71.23","0.005","80.914","0.004","82.591","0.004","634.44","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Vjekoslav Strukil; Boris Bartolec; Tomislav Portada; Ivica Dilovic; Ivan Halasz; Davor Margetic","One-pot mechanosynthesis of aromatic amides and dipeptides from carboxylic acids and amines","Chem.Commun.","2012","48","","12100","","10.1039/c2cc36613d","","","0.71073","MoKα","","0.0395","0.0336","","","0.0876","0.0918","","","","","","1.056","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108663","5.04782","0.00018","10.7197","0.0004","13.3908","0.0006","71.589","0.004","80.789","0.003","82.637","0.003","676.3","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Vjekoslav Strukil; Boris Bartolec; Tomislav Portada; Ivica Dilovic; Ivan Halasz; Davor Margetic","One-pot mechanosynthesis of aromatic amides and dipeptides from carboxylic acids and amines","Chem.Commun.","2012","48","","12100","","10.1039/c2cc36613d","","","0.71073","MoKα","","0.0307","0.028","","","0.0784","0.0803","","","","","","1.047","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108664","17.179","0.004","5.0906","0.0007","29.764","0.006","90","","91.721","0.019","90","","2601.7","0.9","293","","293","","","","","","","","chemical synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","Vjekoslav Strukil; Boris Bartolec; Tomislav Portada; Ivica Dilovic; Ivan Halasz; Davor Margetic","One-pot mechanosynthesis of aromatic amides and dipeptides from carboxylic acids and amines","Chem.Commun.","2012","48","","12100","","10.1039/c2cc36613d","","","0.71073","MoKα","","0.172","0.1129","","","0.3349","0.3593","","","","","","1.145","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108665","12.6948","0.0006","13.6859","0.0006","14.8577","0.0007","71.541","0.003","65.929","0.002","66.835","0.003","2129.04","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H50 Cl7 N4 O4 Rh2 -","- C35 H50 Cl7 N4 O4 Rh2 -","- C70 H100 Cl14 N8 O8 Rh4 -","2","1","","Katherine P. Kornecki; John F. Berry","Introducing a mixed-valent dirhodium(II,III) catalyst with increased stability in C-H amination","Chem.Commun.","2012","48","","12097","","10.1039/c2cc36614b","","","0.71073","MoKα","","0.0863","0.0613","","","0.1643","0.1857","","","","","","1.076","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108666","13.275","0.0003","12.8783","0.0003","23.4841","0.0005","90","","104.627","0.001","90","","3884.71","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cl5 N4 O4 Rh2 -","- C34 H48 Cl5 N4 O4 Rh2 -","- C136 H192 Cl20 N16 O16 Rh8 -","4","1","","Katherine P. Kornecki; John F. Berry","Introducing a mixed-valent dirhodium(II,III) catalyst with increased stability in C-H amination","Chem.Commun.","2012","48","","12097","","10.1039/c2cc36614b","","","0.71073","MoKα","","0.0508","0.0296","","","0.0532","0.0568","","","","","","0.921","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108667","12.3452","0.0015","17.876","0.002","12.655","0.0015","90","","104.209","0.005","90","","2707.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H54 N2 O6 -","- C72 H54 N2 O6 -","- C144 H108 N4 O12 -","2","0.5","","Mei-Jin Lin; Angel J. Jimenez; Christian Burschka; Frank Wurthner","Bay-substituted perylene bisimide dye with an undistorted planar scaffold and outstanding solid state fluorescence properties","Chem.Commun.","2012","48","","12050","","10.1039/c2cc36719j","","","0.71073","MoKα","","0.0637","0.0485","","","0.1164","0.127","","","","","","1.018","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108668","7.7348","0.0005","8.295","0.0005","20.1342","0.0013","90","","98.598","0.001","90","","1277.3","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N O2 S -","- C12 H14 Cl N O2 S -","- C48 H56 Cl4 N4 O8 S4 -","4","1","","Jiajia Cheng; Xinjun Tang; Yihua Yu; Shengming Ma","FeCl3-catalyzed cyclization of alpha-sulfonamido-allenes with aldehydes‒the substituent effect","Chem.Commun.","2012","48","","12074","","10.1039/c2cc36941a","","","0.71073","MoKα","","0.0439","0.0401","","","0.1023","0.1062","","","","","","1.065","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108669","17.918","0.002","5.8464","0.0008","21.295","0.003","90","","99.577","0.004","90","","2199.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl2 N O2 S -","- C24 H21 Cl2 N O2 S -","- C96 H84 Cl8 N4 O8 S4 -","4","1","","Jiajia Cheng; Xinjun Tang; Yihua Yu; Shengming Ma","FeCl3-catalyzed cyclization of alpha-sulfonamido-allenes with aldehydes‒the substituent effect","Chem.Commun.","2012","48","","12074","","10.1039/c2cc36941a","","","0.71073","MoKα","","0.0759","0.0536","","","0.13","0.1405","","","","","","1.077","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108670","20.4479","0.0017","3.9674","0.0003","13.2324","0.0012","90","","90","","90","","1073.48","0.16","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Qi Gao; Xian-chun Tan; Ying-ming Pan; Heng-shan Wang; Ying Liang","Palladium-catalyzed formation of phenolic compounds by reaction of carbonyl compounds with carbon dioxide","Chem.Commun.","2012","48","","12080","","10.1039/c2cc37194d","","","0.7107","MoKα","","0.0686","0.0526","","","0.1371","0.1491","","","","","","1.147","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108671","37.985","0.007","14.57","0.003","27.895","0.005","90","","90","","90","","15438","5","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C78 H60 Co3 N12 O19 -","- C78 H60 Co3 N12 O19 -","- C624 H480 Co24 N96 O152 -","8","1","","Kang Zhou; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Shu-Quan Zhang; Jie Ma; Mao-Chun Hong","Unprecedented three-level hierarchical entanglement in a coordination polymer","Chem.Commun.","2012","48","","12168","","10.1039/c2cc36270h","","","0.71073","MoKα","","0.0991","0.094","","","0.2765","0.2843","","","","","","1.013","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108672","14.1877","0.0007","8.338","0.0002","20.9652","0.0009","90","","101.305","0.002","90","","2432","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Fe I2 O4 -","- C22 H28 Fe I2 O4 -","- C88 H112 Fe4 I8 O16 -","4","2","","Huy V. Nguyen; Zheng-yun Zhao; Antoine Sallustrau; Sarah L. Horswell; Louise Male; Andrea Mulas; James H. R. Tucker","A ferrocene nucleic acid oligomer as an organometallic structural mimic of DNA","Chem.Commun.","2012","48","","12165","","10.1039/c2cc36428j","","","0.71073","MoKα","","0.0654","0.0464","","","0.0962","0.1054","","","","","","1.039","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108673","13.7094","0.0011","9.4888","0.0008","19.2635","0.0016","90","","92.874","0.002","90","","2502.8","0.4","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 Cl -","- C30 H18 Cl -","- C120 H72 Cl4 -","4","1","","Ming Chen; Yifeng Chen; Yuanhong Liu","Palladium-catalyzed highly efficient synthesis of tetracenes and pentacenes","Chem.Commun.","2012","48","","12189","","10.1039/c2cc36700a","","","0.71073","MoKα","","0.1051","0.092","","","0.2434","0.2524","","","","","","0.926","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108674","19.0506","0.0016","9.9398","0.0008","10.6781","0.0009","90","","102.33","0.001","90","","1975.4","0.3","133","2","133","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","1","","Ming Chen; Yifeng Chen; Yuanhong Liu","Palladium-catalyzed highly efficient synthesis of tetracenes and pentacenes","Chem.Commun.","2012","48","","12189","","10.1039/c2cc36700a","","","0.71073","MoKα","","0.0656","0.0437","","","0.1177","0.1308","","","","","","1.039","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108675","19.6006","0.0004","16.7246","0.0003","35.9977","0.0007","90","","96.735","0.001","90","","11719.1","0.4","160","2","160","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124.2 H114.8 B I2 N2 O0.5 P4 Pt2 -","- C124.2 H114.8 B I2 N2 O0.5 P4 Pt2 -","- C496.8 H459.2 B4 I8 N8 O2 P16 Pt8 -","4","1","","Antonia Kaloudi-Chantzea; Nikolaos Karakostas; Florian Pitterl; Catherine P. Raptopoulou; Nikos Glezos; George Pistolis","Efficient supramolecular synthesis of a robust circular light-harvesting Bodipy-dye based array","Chem.Commun.","2012","48","","12213","","10.1039/c2cc36825k","","","1.54178","CuKα","","0.0677","0.0565","","","0.1508","0.1601","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108676","13.1075","0.0004","13.6595","0.0004","24.3451","0.0008","78.45","0.003","84.386","0.003","62.288","0.003","3780.6","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[K(2,2,2-crypt)]2{Co(eta3-As3)[eta4-As4(mes)2)]}*py*0.5tol","","- C62.5 H103 As7 Co K2 N5 O12 -","- C62.5 H103 As7 Co K2 N5 O12 -","- C125 H206 As14 Co2 K4 N10 O24 -","2","1","","B. H. Westcott; Caroline M. Knapp; M. A. C. Raybould; J. E. McGrady; J. M. Goicoechea","Transition-metal-mediated activation of the heptaarsenide trianion: isolation of a diaryltetraarsenabutadienediide","Chem.Commun.","2012","48","","12183","","10.1039/c2cc36888a","","","1.5418","CuKα","","0.082","0.0644","","","0.1736","0.1845","","","","","","0.995","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7108677","12.4821","0.0007","19.3868","0.0008","19.0651","0.0012","90","","103.496","0.006","90","","4486.1","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H68 Cl2 Ge N2 O P2 -","- C38 H68 Cl2 Ge N2 O P2 -","- C152 H272 Cl8 Ge4 N8 O4 P8 -","4","1","","Matthias Driess; Yun Xiong; Shenglai Yao; Andreas Berkefeld; Shigeyoshi Inoue","Germyliumylidene [ClGe:]+and Germathionium [ClGe=S]+ Supported by 1,8-bis(Tributylphosphazenyl)naphthalene","Chem.Commun.","2012","48","","12198","","10.1039/c2cc36926e","","","0.71073","MoKα","","0.0853","0.0606","","","0.1229","0.1325","","","","","","1.058","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108678","11.5878","0.0007","17.8076","0.001","21.8753","0.0014","90","","105.55","0.004","90","","4348.8","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H68 Cl2 Ge N2 O P2 S -","- C38 H68 Cl2 Ge N2 O P2 S -","- C152 H272 Cl8 Ge4 N8 O4 P8 S4 -","4","1","","Matthias Driess; Yun Xiong; Shenglai Yao; Andreas Berkefeld; Shigeyoshi Inoue","Germyliumylidene [ClGe:]+and Germathionium [ClGe=S]+ Supported by 1,8-bis(Tributylphosphazenyl)naphthalene","Chem.Commun.","2012","48","","12198","","10.1039/c2cc36926e","","","0.71073","MoKα","","0.083","0.0613","","","0.1313","0.1475","","","","","","1.044","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108679","13.5226","0.0009","17.5596","0.0012","17.9569","0.0013","90","","90","","90","","4263.9","0.5","295","2","295","2","","","","","","","","5","I 2 m m","I -2 2","44","","","","- Cu H42 N10 O61 W18 -","- Cu N10 O61 W18 -","- Cu2 N20 O122 W36 -","2","0.25","","Xin Xu; Huan-Li Dong; Rui-Li Sang; Li Xu","Unprecedented Dawson isomerism induced by a central [WO5] and four 45^o^-rotated belt square pyramids","Chem.Commun.","2012","48","","12177","","10.1039/c2cc36999k","","","0.71073","MoKα","","0.0522","0.0404","","","0.077","0.0814","","","","","","0.983","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108680","60.299","0.006","19.5214","0.0015","9.5973","0.0008","90","","90","","90","","11297.2","1.7","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C34 H20 Cl2 S4 -","- C34 H20 Cl2 S4 -","- C544 H320 Cl32 S64 -","16","1","","Kamaljit Singh; Tarunpreet Singh Virk; Jing Zhang; Wei Xu; Daoben Zhu","Neutral tetrathia[22]annulene[2.1.2.1] based field-effect transistors: improved on/off ratio defies ring puckering","Chem.Commun.","2012","48","","12174","","10.1039/c2cc37004b","","","1.5418","CuKα","","0.0529","0.0503","","","0.1381","0.1411","","","","","","1.072","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7108681","11.086","0.015","11.68","0.02","13.261","0.006","59.84","0.09","75.33","0.09","84.57","0.13","1435","4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Fe N2 O2 -","- C34 H38 Fe N2 O2 -","- C68 H76 Fe2 N4 O4 -","2","1","","Daisuke Noda; Yusuke Sunada; Takuji Hatakeyama; Masaharu Nakamura; Hideo Nagashima","Iron promoted conjugate addition: implication of the six-centered mechanism based on the isolation of the iron-enolate intermediate","Chem.Commun.","2012","48","","12231","","10.1039/c2cc37144h","","","0.7107","MoKα","","","0.0616","","","","0.1988","","","","","","1.001","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108682","11.523","0.002","31.766","0.005","14.061","0.003","90","","105.738","0.003","90","","4953.9","1.6","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 Fe N2 O4 -","- C56 H66 Fe N2 O4 -","- C224 H264 Fe4 N8 O16 -","4","1","","Daisuke Noda; Yusuke Sunada; Takuji Hatakeyama; Masaharu Nakamura; Hideo Nagashima","Iron promoted conjugate addition: implication of the six-centered mechanism based on the isolation of the iron-enolate intermediate","Chem.Commun.","2012","48","","12231","","10.1039/c2cc37144h","","","0.7107","MoKα","","","0.0586","","","","0.1934","","","","","","1.002","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108683","12.6484","0.0013","12.7069","0.0013","15.9544","0.0017","89.157","0.002","77.167","0.002","88.118","0.002","2498.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 Cl2 N4 Ni -","- C60 H46 Cl2 N4 Ni -","- C120 H92 Cl4 N8 Ni2 -","2","1","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.0661","0.0459","","","0.1135","0.1247","","","","","","1.03","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108684","9.557","0.0009","23.899","0.002","27.482","0.003","90","","97.806","0.002","90","","6218.8","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 Cl2 N4 Ni -","- C76 H76 Cl2 N4 Ni -","- C304 H304 Cl8 N16 Ni4 -","4","0.5","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.0668","0.0428","","","0.0968","0.107","","","","","","1.036","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108685","9.6749","0.0005","23.1727","0.0012","28.2174","0.0015","90","","95.526","0.001","90","","6296.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H52 Cl2 N4 Ni -","- C76 H52 Cl2 N4 Ni -","- C304 H208 Cl8 N16 Ni4 -","4","0.5","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.075","0.0616","","","0.1774","0.1909","","","","","","1.036","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108686","9.555","0.004","24.019","0.009","27.58","0.01","90","","98.02","0.006","90","","6268","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 Cl2 Co N4 -","- C76 H76 Cl2 Co N4 -","- C304 H304 Cl8 Co4 N16 -","4","0.5","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.1352","0.0598","","","0.1196","0.1476","","","","","","0.954","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108687","9.7131","0.0018","23.566","0.004","28.167","0.005","90","","96.357","0.003","90","","6408","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73.34 H56 Cl2 Co N4 -","- C73.352 H56 Cl2 Co N4 -","- C293.408 H224 Cl8 Co4 N16 -","4","0.5","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.1829","0.0997","","","0.2618","0.3154","","","","","","1.028","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108688","23.48","0.005","11.315","0.002","23.479","0.003","90","","91.59","","90","","6235.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 Cl2 Co N4 -","- C76 H76 Cl2 Co N4 -","- C304 H304 Cl8 Co4 N16 -","4","0.5","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.0757","0.0682","","","0.1891","0.1985","","","","","","1.101","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108689","9.273","0.002","23.801","0.005","21.313","0.005","90","","98.13","0.004","90","","4656.6","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl2 Co N4 -","- C44 H36 Cl2 Co N4 -","- C176 H144 Cl8 Co4 N16 -","4","0.5","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.0738","0.0477","","","0.117","0.1256","","","","","","1.041","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108690","12.3778","0.0017","16.212","0.002","19.398","0.003","90","","90","","90","","3892.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44.82 H38.45 Cl2 N4 Ni O0.82 -","- C44.816 H38.448 Cl2 N4 Ni O0.816 -","- C179.264 H153.792 Cl8 N16 Ni4 O3.264 -","4","1","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.0593","0.0512","","","0.1071","0.1158","","","","","","1.174","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108691","5.141","0.003","14.936","0.009","31.333","0.018","90","","91.688","0.007","90","","2405","2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br N O2 S -","- C24 H18 Br N O2 S -","- C96 H72 Br4 N4 O8 S4 -","4","1","","Tian-Lin Liu; Heng-Xia Zhang; Yan Zheng; Qingwei Yao; Jun-An Ma","Catalytic enantioselective addition of terminal 1,3-diynes to N-sulfonyl aldimines: access to chiral diynylated carbinamines","Chem.Commun.","2012","48","","12234","","10.1039/c2cc37290h","","","0.71073","MoKα","","0.1339","0.0814","","","0.2355","0.2795","","","","","","1.067","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108692","26.1065","0.0009","26.1065","0.0009","26.1065","0.0009","90","","90","","90","","17792.9","1.1","150","2","150","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H48 Gd2 Mn3 O42 -","- C24 H48 Gd2 Mn3 O42 -","- C384 H768 Gd32 Mn48 O672 -","16","0.0833333","","Fu-Sheng Guo; Yan-Cong Chen; Jun-Liang Liu; Ji-Dong Leng; Zhao-Sha Meng; Peter Vrabel; Martin Orendac; Ming-Liang Tong","A large cryogenic magnetocaloric effect exhibited at low field by a 3D ferromagnetically coupled Mn(II)-Gd(III) framework material","Chem.Commun.","2012","48","","12219","","10.1039/c2cc37510a","","","0.71073","MoKα","","0.0911","0.0852","","","0.1436","0.1454","","","","","","1.061","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108783","9.6899","0.001","10.8171","0.0012","19.58","0.002","90","","90","","90","","2052.3","0.4","228","2","228","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl F3 N2 O5 P -","- C19 H19 Cl F3 N2 O5 P -","- C76 H76 Cl4 F12 N8 O20 P4 -","4","1","","Hexin Xie; Aiguo Song; Xinshuai Zhang; Xiaobei Chen; Hao Li; Chunquan Sheng; Wei Wang","Quinine-thiourea catalyzed enantioselective hydrophosphonylation of trifluoromethyl 2(1H)-quinazolinones","Chem.Commun.","2012","49","","928","","10.1039/c2cc38097h","","","0.71073","MoKα","","0.0315","0.0275","","","0.0746","0.0774","","","","","","1.057","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108787","9.247","0.002","9.437","0.002","9.862","0.003","74.36","0.02","63.38","0.02","87.67","0.02","737.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 Er O11 -","- C9 H14 Er O11 -","- C18 H28 Er2 O22 -","2","1","","Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos","2D and 3D photoreactive lanthanide MOFs of trans,trans-muconic acid","Chem.Commun.","2012","49","","1008","","10.1039/c2cc36356a","","","0.71073","MoKα","","0.0454","0.038","","","0.1207","0.1338","","","","","","1.152","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108788","9.285","0.001","9.468","0.001","9.886","0.001","74.44","0.01","63.35","0.01","87.8","0.01","744.89","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 O11 Y -","- C9 H16 O11 Y -","- C18 H32 O22 Y2 -","2","1","","Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos","2D and 3D photoreactive lanthanide MOFs of trans,trans-muconic acid","Chem.Commun.","2012","49","","1008","","10.1039/c2cc36356a","","","0.71073","MoKα","","0.052","0.046","","","0.115","0.1196","","","","","","1.033","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108789","7.677","0.001","8.018","0.001","22.389","0.002","94.55","0.01","93.33","0.01","101.86","0.01","1340.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 Er2 O20 -","- C18 H28 Er2 O20 -","- C36 H56 Er4 O40 -","2","1","","Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos","2D and 3D photoreactive lanthanide MOFs of trans,trans-muconic acid","Chem.Commun.","2012","49","","1008","","10.1039/c2cc36356a","","","0.71073","MoKα","","0.0391","0.036","","","0.0973","0.1","","","","","","1.113","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108790","7.694","0.001","8.033","0.001","22.392","0.003","94.75","0.01","93","0.01","101.84","0.01","1346.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 O20 Y2 -","- C18 H28 O20 Y2 -","- C36 H56 O40 Y4 -","2","1","","Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos","2D and 3D photoreactive lanthanide MOFs of trans,trans-muconic acid","Chem.Commun.","2012","49","","1008","","10.1039/c2cc36356a","","","0.71073","MoKα","","0.069","0.0411","","","0.0862","0.0962","","","","","","0.998","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108791","15.2522","0.0009","7.7825","0.0005","20.2169","0.0016","90","","110.634","0.002","90","","2245.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Er2 O16 -","- C18 H20 Er2 O16 -","- C72 H80 Er8 O64 -","4","0.5","","Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos","2D and 3D photoreactive lanthanide MOFs of trans,trans-muconic acid","Chem.Commun.","2012","49","","1008","","10.1039/c2cc36356a","","","0.71073","MoKα","","0.0158","0.0152","","","0.0356","0.0357","","","","","","1.24","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108792","23.388","0.003","28.553","0.005","10.7407","0.0016","90","","90","","90","","7172.6","1.9","153","2","153","2","","","","","","","","7","P b a m","-P 2 2ab","55","","","","- C57 H76 F18 N13 O P3 Pd3 -","- C57 H76 F18 N13 O P3 Pd3 -","- C228 H304 F72 N52 O4 P12 Pd12 -","4","0.5","","Ramananda Maity; Arnab Rit; Christian Schulte to Brinke; Constantin G. Daniliuc; F. Ekkehardt Hahn","Metal center dependent coordination modes of a tricarbene ligand","Chem.Commun.","2012","49","","1011","","10.1039/c2cc37446c","","","0.71073","MoKα","","0.1088","0.0642","","","0.1894","0.2193","","","","","","1.01","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108793","26.9202","0.0006","26.9202","0.0006","34.3435","0.0014","90","","90","","120","","21554.2","1.1","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C41 H53 Cl2 F6 Ir2 N6 P -","- C41 H53 Cl2 F5 Ir2 N6 P0.833333 -","- C738 H954 Cl36 F90 Ir36 N108 P15 -","18","1","","Ramananda Maity; Arnab Rit; Christian Schulte to Brinke; Constantin G. Daniliuc; F. Ekkehardt Hahn","Metal center dependent coordination modes of a tricarbene ligand","Chem.Commun.","2012","49","","1011","","10.1039/c2cc37446c","","","0.71073","MoKα","","0.04","0.0298","","","0.0768","0.0798","","","","","","1.074","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108794","17.8295","0.0012","14.3111","0.0014","13.2223","0.0008","90","","129.061","0.002","90","","2619.7","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 N4 O16 Zr -","- C12 H39.61 N4 O15.805 Zr -","- C48 H158.44 N16 O63.22 Zr4 -","4","1","","Francois Guerard; Yong-Sok Lee; Raphael Tripier; Lawrence P. Szajek; Jeffrey R. Deschamps; Martin W. Brechbiel","Investigation of Zr(IV) and 89Zr(IV) complexation with hydroxamates: progress towards designing a better chelator than desferrioxamine B for immuno-PET imaging","Chem.Commun.","2012","49","","1002","","10.1039/c2cc37549d","","","0.71073","MoKα","","0.038","0.0348","","","0.1031","0.1066","","","","","","1.108","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108825","17.9401","0.0017","12.8038","0.0011","23.0195","0.0016","90","","120.181","0.005","90","","4570.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H14 Ag8 F16 N2 O18 -","- C38 H14 Ag8 F16 N2 O18 -","- C152 H56 Ag32 F64 N8 O72 -","4","1","","Sheng-Chun Chen; Zhi-Hui Zhang; Qun Chen; Li-Qun Wang; Juan Xu; Ming-Yang He; Miao Du; Xiao-Ping Yang; Richard A.Jones","An efficient strategy to achieve hydrophilic polymeric silver(I) materials with exceptional antibacterial activity","Chem.Commun.","2012","49","","1270","","10.1039/c2cc36538c","","","0.71073","MoKα","","0.0603","0.0412","","","0.0895","0.0997","","","","","","1.003","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108826","7.659","0.007","11.51","0.01","13.686","0.012","74.096","0.009","82.415","0.009","76.996","0.009","1127.4","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H7 Ag4 F8 N O9 -","- C19 H7 Ag4 F8 N O9 -","- C38 H14 Ag8 F16 N2 O18 -","2","1","","Sheng-Chun Chen; Zhi-Hui Zhang; Qun Chen; Li-Qun Wang; Juan Xu; Ming-Yang He; Miao Du; Xiao-Ping Yang; Richard A.Jones","An efficient strategy to achieve hydrophilic polymeric silver(I) materials with exceptional antibacterial activity","Chem.Commun.","2012","49","","1270","","10.1039/c2cc36538c","","","0.71073","MoKα","","0.0467","0.0441","","","0.1393","0.1447","","","","","","1.076","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108827","15.6663","0.0014","11.491","0.0011","13.2146","0.0012","90","","108.82","0.001","90","","2251.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H7 Ag4 F8 N O9 -","- C19 H7 Ag4 F8 N O9 -","- C76 H28 Ag16 F32 N4 O36 -","4","1","","Sheng-Chun Chen; Zhi-Hui Zhang; Qun Chen; Li-Qun Wang; Juan Xu; Ming-Yang He; Miao Du; Xiao-Ping Yang; Richard A.Jones","An efficient strategy to achieve hydrophilic polymeric silver(I) materials with exceptional antibacterial activity","Chem.Commun.","2012","49","","1270","","10.1039/c2cc36538c","","","0.71073","MoKα","","0.0333","0.0295","","","0.0781","0.0806","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108828","13.638","0.0005","14.9398","0.0005","15.6669","0.0006","78.733","0.001","72.898","0.001","83.964","0.001","2988.29","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H70 B Cu F4 N2 O7 P2 -","- C66 H70 B Cu F4 N2 O7 P2 -","- C132 H140 B2 Cu2 F8 N4 O14 P4 -","2","1","","Meera Mohankumar; Michel Holler; Michel Schmitt; Jean-Pierre Sauvage; Jean-Francois Nierengarten","Dynamic topomerization of Cu(I)=complexed pseudorotaxanes","Chem.Commun.","2012","49","","1261","","10.1039/c2cc37724a","","","0.71073","MoKα","","0.1788","0.125","","","0.353","0.4038","","","","","","1.484","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108829","11.795","0.0007","13.2034","0.0007","19.7058","0.0011","106.642","0.001","106.201","0.001","91.402","0.001","2805.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H71 B Cu F4 N2 O6.5 P2 -","- C56 H66 B Cu F4 N2 O6 P2 -","- C112 H132 B2 Cu2 F8 N4 O12 P4 -","2","1","","Meera Mohankumar; Michel Holler; Michel Schmitt; Jean-Pierre Sauvage; Jean-Francois Nierengarten","Dynamic topomerization of Cu(I)=complexed pseudorotaxanes","Chem.Commun.","2012","49","","1261","","10.1039/c2cc37724a","","","0.71073","MoKα","","0.1298","0.0905","","","0.2677","0.2942","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112514","9.9984","0.0006","10.6788","0.0007","12.6094","0.0009","68.7577","0.0018","86.7228","0.0018","66.0269","0.0014","1140.17","0.13","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br N3 O -","- C26 H20 Br N3 O -","- C52 H40 Br2 N6 O2 -","2","1","","Shao, Jiaan; Yu, Wanwan; Shao, Zhanying; Yu, Yongping","A ""one-pot"" multicomponent approach to polysubstituted 4-aminopyridines.","Chemical communications (Cambridge, England)","2012","48","22","2785","2787","10.1039/c2cc17850h","","","0.71073","MoKα","","0.094","0.0416","","","0.0834","0.1233","","","","","","1.003","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112515","14.3833","0.0008","11.4881","0.0006","14.3173","0.0008","90","","107.727","0.002","90","","2253.4","0.2","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Br N4 O -","- C25 H21 Br N4 O -","- C100 H84 Br4 N16 O4 -","4","1","","Shao, Jiaan; Yu, Wanwan; Shao, Zhanying; Yu, Yongping","A ""one-pot"" multicomponent approach to polysubstituted 4-aminopyridines.","Chemical communications (Cambridge, England)","2012","48","22","2785","2787","10.1039/c2cc17850h","","","0.71073","MoKα","","0.1029","0.0436","","","0.1167","0.1741","","","","","","1.002","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112516","7.0111","0.0003","7.0111","0.0003","5.4843","0.0004","90","","90","","120","","233.47","0.02","153","","153","","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Ishikawa, Kazuhiko; Tanaka, Masahito; Suzuki, Toshiya; Sekine, Akiko; Kawasaki, Tsuneomi; Soai, Kenso; Shiro, Motoo; Lahav, Meir; Asahi, Toru","Absolute chirality of the γ-polymorph of glycine: correlation of the absolute structure with the optical rotation.","Chemical communications (Cambridge, England)","2012","48","48","6031","","10.1039/c2cc30549f","","","1.54187","CuKα","","","0.0302","","","","0.0691","","","","","","1.088","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112517","7.01706","0.00018","7.01706","0.00018","5.48499","0.00015","90","","90","","120","","233.893","0.011","173","","173","","","","","","","","","4","P 32","P 32","145","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Ishikawa, Kazuhiko; Tanaka, Masahito; Suzuki, Toshiya; Sekine, Akiko; Kawasaki, Tsuneomi; Soai, Kenso; Shiro, Motoo; Lahav, Meir; Asahi, Toru","Absolute chirality of the γ-polymorph of glycine: correlation of the absolute structure with the optical rotation.","Chemical communications (Cambridge, England)","2012","48","48","6031","","10.1039/c2cc30549f","","","1.54187","CuKα","","","0.0321","","","","0.0748","","","","","","1.103","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112518","6.6923","0.0014","8.4333","0.0017","13.376","0.003","90","","100.204","0.002","90","","743","0.3","188","1","188","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cl4 P2 Sn -","- C6 H18 Cl4 P2 Sn -","- C12 H36 Cl8 P4 Sn2 -","2","0.5","","MacDonald, Elizabeth; Doyle, Lauren; Chitnis, Saurabh S.; Werner-Zwanziger, Ulrike; Burford, Neil; Decken, Andreas","Me3P complexes of p-block Lewis acids SnCl4, SnCl3+ and SnCl2(2+).","Chemical communications (Cambridge, England)","2012","48","64","7922","7924","10.1039/c2cc33206j","","x-ray","0.71073","MoKα","","0.0311","0.0206","","","0.0538","0.0573","","","","","","1.033","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112519","9.164","0.003","10.897","0.003","10.684","0.003","90","","105.708","0.003","90","","1027.1","0.5","198","1","198","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H18 Al Cl7 P2 Sn -","- C6 H18 Al Cl7 P2 Sn -","- C12 H36 Al2 Cl14 P4 Sn2 -","2","0.5","","MacDonald, Elizabeth; Doyle, Lauren; Chitnis, Saurabh S.; Werner-Zwanziger, Ulrike; Burford, Neil; Decken, Andreas","Me3P complexes of p-block Lewis acids SnCl4, SnCl3+ and SnCl2(2+).","Chemical communications (Cambridge, England)","2012","48","64","7922","7924","10.1039/c2cc33206j","","x-ray","0.71073","MoKα","","0.0262","0.0245","","","0.0662","0.0674","","","","","","1.069","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112520","7.2557","0.001","13.2556","0.0018","25.966","0.004","90","","95.068","0.002","90","","2487.6","0.6","173","2","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Al2 Cl10 P2 Sn -","- C6 H18 Al2 Cl10 P2 Sn -","- C24 H72 Al8 Cl40 P8 Sn4 -","4","1","","MacDonald, Elizabeth; Doyle, Lauren; Chitnis, Saurabh S.; Werner-Zwanziger, Ulrike; Burford, Neil; Decken, Andreas","Me3P complexes of p-block Lewis acids SnCl4, SnCl3+ and SnCl2(2+).","Chemical communications (Cambridge, England)","2012","48","64","7922","7924","10.1039/c2cc33206j","","x-ray","0.71073","MoKα","","0.0247","0.0216","","","0.055","0.0569","","","","","","1.056","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112521","14.2273","0.0013","13.0726","0.0012","14.5059","0.0013","90","","109.866","0.002","90","","2537.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 S3 -","- C28 H20 N2 O2 S3 -","- C112 H80 N8 O8 S12 -","4","1","","Wu, Yue; Chen, Shangjun; Yang, Yuheng; Zhang, Qiong; Xie, Yongshu; Tian, He; Zhu, Weihong","A novel gated photochromic reactivity controlled by complexation/dissociation with BF3.","Chemical communications (Cambridge, England)","2012","48","4","528","530","10.1039/c1cc15824d","","","0.71073","MoKα","","0.0579","0.045","","","0.142","0.1724","","","","","","1.088","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112522","10.334","0.002","11.672","0.002","20.341","0.004","90","","90","","90","","2453.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O9 Zn2 -","- C22 H25 N O9 Zn2 -","- C88 H100 N4 O36 Zn8 -","4","1","","Suh, Kyungwon; Yutkin, Maxim P.; Dybtsev, Danil N.; Fedin, Vladimir P.; Kim, Kimoon","Enantioselective sorption of alcohols in a homochiral metal-organic framework.","Chemical communications (Cambridge, England)","2012","48","4","513","515","10.1039/c1cc16209h","","","0.8","SynchrotronatPohangAcceleratorLaboratory","","0.048","0.0479","","","0.1324","0.1327","","","","","","1.136","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112523","10.337","0.002","11.649","0.002","20.464","0.004","90","","90","","90","","2464.2","0.8","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O9 Zn2 -","- C22 H25 N O9 Zn2 -","- C88 H100 N4 O36 Zn8 -","4","1","","Suh, Kyungwon; Yutkin, Maxim P.; Dybtsev, Danil N.; Fedin, Vladimir P.; Kim, Kimoon","Enantioselective sorption of alcohols in a homochiral metal-organic framework.","Chemical communications (Cambridge, England)","2012","48","4","513","515","10.1039/c1cc16209h","","","0.8","SynchrotronatPohangAcceleratorLaboratory","","0.0483","0.048","","","0.1311","0.1316","","","","","","1.016","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112524","7.2401","0.0001","7.2996","0.0001","15.8742","0.0003","88.734","0.001","87.853","0.001","64.951","0.001","759.49","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N O6 S -","- C14 H17 N O6 S -","- C28 H34 N2 O12 S2 -","2","1","","Wheeler, Kraig A.; Malehorn, Steven H.; Egan, Annie E.","Valine sulfonamidecinnamic acid asymmetric crystal reactions.","Chemical communications (Cambridge, England)","2012","48","4","519","521","10.1039/c1cc15068e","","","1.54178","CuKα","","0.0509","0.0485","","","0.127","0.129","","","","","","1.121","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112525","7.4391","0.0003","7.6719","0.0003","15.0529","0.0007","88.371","0.003","85.421","0.003","61.552","0.002","752.91","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N2 O12 S2 -","- C28 H34 N2 O12 S2 -","- C28 H34 N2 O12 S2 -","1","0.5","","Wheeler, Kraig A.; Malehorn, Steven H.; Egan, Annie E.","Valine sulfonamidecinnamic acid asymmetric crystal reactions.","Chemical communications (Cambridge, England)","2012","48","4","519","521","10.1039/c1cc15068e","","","1.54178","CuKα","","0.0888","0.0751","","","0.1959","0.2093","","","","","","1.157","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112526","7.9008","0.0002","8.0121","0.0002","11.8061","0.0003","83.617","0.001","77.774","0.002","88.744","0.002","725.87","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H17 N O6 S -","- C14 H17 N O6 S -","- C28 H34 N2 O12 S2 -","2","2","","Wheeler, Kraig A.; Malehorn, Steven H.; Egan, Annie E.","Valine sulfonamidecinnamic acid asymmetric crystal reactions.","Chemical communications (Cambridge, England)","2012","48","4","519","521","10.1039/c1cc15068e","","","1.54178","CuKα","","0.0475","0.0423","","","0.1077","0.1108","","","","","","1.082","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112527","7.8647","0.0003","8.0522","0.0003","11.793","0.0005","83.951","0.002","77.725","0.002","89.754","0.002","725.57","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H34 N2 O12 S2 -","- C28 H34 N2 O12 S2 -","- C28 H34 N2 O12 S2 -","1","1","","Wheeler, Kraig A.; Malehorn, Steven H.; Egan, Annie E.","Valine sulfonamidecinnamic acid asymmetric crystal reactions.","Chemical communications (Cambridge, England)","2012","48","4","519","521","10.1039/c1cc15068e","","","1.54178","CuKα","","0.0555","0.0499","","","0.125","0.1292","","","","","","1.046","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112528","5.578","0.0004","5.9177","0.0004","11.3992","0.0012","82.368","0.002","82.198","0.002","78.166","0.008","362.72","0.05","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H9 N O6 P2 -","- C2 H9 N O6 P2 -","- C4 H18 N2 O12 P4 -","2","1","","Chen, Shuo-ping; Hu, Le; Zhang, Yu-qin; Deng, Pu; Li, Cong; Chen, Xi; Yuan, Liang-jie","(AEDPH3)·(BtaH): a novel supramolecular plaster with formaldehyde adsorption and formaldehyde/ultraviolet ray-induced luminescence switching performance.","Chemical communications (Cambridge, England)","2012","48","4","552","554","10.1039/c1cc16415e","","","0.71073","MoKα","","0.0334","0.0323","","","0.087","0.0878","","","","","","1.073","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112529","5.4483","0.0015","9.366","0.003","12.918","0.004","94.059","0.004","95.706","0.004","99.278","0.004","644.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 N4 O6 P2 -","- C8 H14 N4 O6 P2 -","- C16 H28 N8 O12 P4 -","2","1","","Chen, Shuo-ping; Hu, Le; Zhang, Yu-qin; Deng, Pu; Li, Cong; Chen, Xi; Yuan, Liang-jie","(AEDPH3)·(BtaH): a novel supramolecular plaster with formaldehyde adsorption and formaldehyde/ultraviolet ray-induced luminescence switching performance.","Chemical communications (Cambridge, England)","2012","48","4","552","554","10.1039/c1cc16415e","","","0.71073","MoKα","","0.0674","0.058","","","0.1642","0.1753","","","","","","1.03","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112530","7.503","0.002","9.923","0.003","9.413","0.003","90","","95.388","0.004","90","","697.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O -","- C7 H7 N3 O -","- C28 H28 N12 O4 -","4","1","","Chen, Shuo-ping; Hu, Le; Zhang, Yu-qin; Deng, Pu; Li, Cong; Chen, Xi; Yuan, Liang-jie","(AEDPH3)·(BtaH): a novel supramolecular plaster with formaldehyde adsorption and formaldehyde/ultraviolet ray-induced luminescence switching performance.","Chemical communications (Cambridge, England)","2012","48","4","552","554","10.1039/c1cc16415e","","","0.71073","MoKα","","0.0627","0.0436","","","0.1252","0.1347","","","","","","1.091","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112531","12.943","0.004","12.329","0.003","23.867","0.005","90","","108.881","0.012","90","","3603.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Cd N7 O8 -","- C29 H29 Cd N7 O8 -","- C116 H116 Cd4 N28 O32 -","4","1","","Zhu, Qilong; Shen, Chaojun; Tan, Chunhong; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao","Bright blue emissions with temperature-dependent quantum yields from microporous metal-organic frameworks.","Chemical communications (Cambridge, England)","2012","48","4","531","533","10.1039/c1cc15138j","","","0.71073","MoKα","","0.0587","0.0522","","","0.1645","0.1723","","","","","","0.975","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112532","29.28","0.02","14.524","0.01","20.084","0.015","90","","115.414","0.011","90","","7714","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Cd N7 O7 -","- C29 H29 Cd N7 O7 -","- C232 H232 Cd8 N56 O56 -","8","1","","Zhu, Qilong; Shen, Chaojun; Tan, Chunhong; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao","Bright blue emissions with temperature-dependent quantum yields from microporous metal-organic frameworks.","Chemical communications (Cambridge, England)","2012","48","4","531","533","10.1039/c1cc15138j","","","0.71073","MoKα","","0.1219","0.0758","","","0.2071","0.3054","","","","","","1.104","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112533","16.4356","0.0011","23.377","0.0016","40.098","0.003","90","","90","","90","","15406.3","1.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C83 H98 Br2 Cl2 N4 O Pd2 -","- C83 H98 Br2 Cl2 N4 O Pd2 -","- C664 H784 Br16 Cl16 N32 O8 Pd16 -","8","1","","Sau, Samaresh Chandra; Santra, Subhankar; Sen, Tamal K.; Mandal, Swadhin K.; Koley, Debasis","Abnormal N-heterocyclic carbene palladium complex: living catalyst for activation of aryl chlorides in Suzuki-Miyaura cross coupling.","Chemical communications (Cambridge, England)","2012","48","4","555","557","10.1039/c1cc15732a","","","0.71073","MoKα","","0.0578","0.043","","","0.0815","0.0873","","","","","","1.162","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112534","16.3712","0.0018","23.523","0.003","39.955","0.005","90","","90","","90","","15387","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C83 H98 Cl4 N4 O Pd2 -","- C83 H98 Cl4 N4 O Pd2 -","- C664 H784 Cl32 N32 O8 Pd16 -","8","1","","Sau, Samaresh Chandra; Santra, Subhankar; Sen, Tamal K.; Mandal, Swadhin K.; Koley, Debasis","Abnormal N-heterocyclic carbene palladium complex: living catalyst for activation of aryl chlorides in Suzuki-Miyaura cross coupling.","Chemical communications (Cambridge, England)","2012","48","4","555","557","10.1039/c1cc15732a","","","0.71073","MoKα","","0.0798","0.0458","","","0.1007","0.1195","","","","","","1.027","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112535","17.419","0.007","10.587","0.005","9.567","0.004","90","","90","","90","","1764.3","1.3","183","","183","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","","Miyake, Yoshihiro; Ashida, Yuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Visible-light-mediated addition of α-aminoalkyl radicals generated from α-silylamines to α,β-unsaturated carbonyl compounds.","Chemical communications (Cambridge, England)","2012","48","55","6966","6968","10.1039/c2cc32745g","","","0.71075","MoKα","","","0.1192","","","","0.106","","","","","","1","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112536","8.0571","0.0002","11.5261","0.0002","12.1322","0.0002","90","","99.462","0.002","90","","1111.35","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H19 Br O3 -","- C27 H19 Br O3 -","- C54 H38 Br2 O6 -","2","1","","Ramachary, Dhevalapally B.; Venkaiah, Chintalapudi; Krishna, Patoju Murali","Discovery of 2-aminobuta-1,3-enynes in asymmetric organocascade catalysis: construction of drug-like spirocyclic cyclohexanes having five to six contiguous stereocenters.","Chemical communications (Cambridge, England)","2012","48","16","2252","2254","10.1039/c2cc17219d","","","1.54184","CuKα","","0.0712","0.0684","","","0.1877","0.1932","","","","","","1.041","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112537","8.5036","0.0015","12.3169","0.001","21.639","0.004","90","","90","","90","","2266.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H19 Br O3 -","- C27 H19 Br O3 -","- C108 H76 Br4 O12 -","4","1","","Ramachary, Dhevalapally B.; Venkaiah, Chintalapudi; Krishna, Patoju Murali","Discovery of 2-aminobuta-1,3-enynes in asymmetric organocascade catalysis: construction of drug-like spirocyclic cyclohexanes having five to six contiguous stereocenters.","Chemical communications (Cambridge, England)","2012","48","16","2252","2254","10.1039/c2cc17219d","","","1.54184","CuKα","","0.0438","0.0355","","","0.0916","0.0964","","","","","","1.051","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112538","26.3094","0.0009","26.3094","0.0009","44.152","0.003","90","","90","","90","","30561","3","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","(Co24(OH)6(C40H44S4O12)6(C9H3O6)8)","","","- C312 H294 Co24 O126 S24 -","- C312 H294 Co24 O126 S24 -","- C624 H588 Co48 O252 S48 -","2","0.125","","Du, Shangchao; Hu, Chunhua; Xiao, Ji-Chang; Tan, Huaqiao; Liao, Wuping","A giant coordination cage based on sulfonylcalix[4]arenes.","Chemical communications (Cambridge, England)","2012","48","73","9177","9179","10.1039/c2cc34265k","","","0.71073","MoKα","","0.0946","0.0867","","","0.2372","0.2441","","","","","","1.084","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112539","34.1605","0.001","34.1605","0.001","54.943","0.002","90","","90","","90","","64115","4","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","(Co24(OH)6(C40H44S4O12)6(C27H15O6)8)","","","- C456 H390 Co24 O126 S24 -","- C456 H390 Co24 O126 S24 -","- C912 H780 Co48 O252 S48 -","2","0.125","","Du, Shangchao; Hu, Chunhua; Xiao, Ji-Chang; Tan, Huaqiao; Liao, Wuping","A giant coordination cage based on sulfonylcalix[4]arenes.","Chemical communications (Cambridge, England)","2012","48","73","9177","9179","10.1039/c2cc34265k","","","0.71073","MoKα","","0.1157","0.0605","","","0.1576","0.177","","","","","","1.016","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112540","37.232","0.013","37.232","0.013","60.29","0.03","90","","90","","90","","83575","6","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","(Co24(OH)6(C40H44S4O12)6(C33H15O6)8)","","","- C504 H390 Co24 O126 S24 -","- C504 H390 Co24 O126 S24 -","- C1008 H780 Co48 O252 S48 -","2","0.125","","Du, Shangchao; Hu, Chunhua; Xiao, Ji-Chang; Tan, Huaqiao; Liao, Wuping","A giant coordination cage based on sulfonylcalix[4]arenes.","Chemical communications (Cambridge, England)","2012","48","73","9177","9179","10.1039/c2cc34265k","","","0.71073","MoKα","","0.166","0.1084","","","0.2273","0.2421","","","","","","1.062","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112541","30.2764","0.0012","30.2764","0.0012","12.3234","0.0005","90","","90","","90","","11296.4","0.8","120","2","120.15","","","","","","","","","6","I -4","I -4","82","","","","- C13 H30 I3 N2 Na2 O13.5 -","- C13 H30 I3 N2 Na2 O13.5 -","- C208 H480 I48 N32 Na32 O216 -","16","2","","Fucke, Katharina; Peach, Michael J. G.; Howard, Judith A. K.; Steed, Jonathan W.","A new water···Na+ coordination motif in an unexpected diatrizoic acid disodium salt crystal form.","Chemical communications (Cambridge, England)","2012","48","79","9822","9824","10.1039/c2cc32766j","","","0.71073","MoKα","","0.047673","0.035276","","","","0.072571","","","","","","0.927109","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112547","13.381","0.0009","9.413","0.0004","15.604","0.001","90","","90.54","0.002","90","","1965.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Al N4 -","- C23 H21 Al N4 -","- C92 H84 Al4 N16 -","4","1","","Moilanen, Jani; Borau-Garcia, Javier; Roesler, Roland; Tuononen, Heikki M.","Paramagnetic aluminium β-diketiminate.","Chemical communications (Cambridge, England)","2012","48","71","8949","8951","10.1039/c2cc34051h","","","0.71073","MoKα","","0.1035","0.0739","","","0.1354","0.1555","","","","","","1.058","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112548","13.59","0.003","19.104","0.004","17.224","0.003","90","","110.86","0.03","90","","4178.6","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H58 Cl3 N3 O3 -","- C39 H58 Cl3 N3 O3 -","- C156 H232 Cl12 N12 O12 -","4","1","","Choi, Ye Rin; Chae, Min Kyung; Kim, Dongwook; Lah, Myoung Soo; Jeong, Kyu-Sung","Synthetic chloride transporters with the binding mode observed in a ClC chloride channel.","Chemical communications (Cambridge, England)","2012","48","83","10346","10348","10.1039/c2cc35743g","","","0.71073","MoKα","","0.1247","0.0497","","","0.112","0.1503","","","","","","1.056","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112550","13.3922","0.0003","15.4736","0.0003","23.0929","0.0004","100.664","0.002","102.767","0.002","111.139","0.002","4164.63","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H78 Cl4 N8 Ni2 -","- C100 H78 Cl4 N8 Ni2 -","- C200 H156 Cl8 N16 Ni4 -","2","1","","Chmielewski, Piotr J.; Maciołek, Justyna","Diastereoselective methylation of bis(N-confused porphyrinatonickel(II)): access to configurationally stable chiral bis(porphyrinoid) and non-symmetric dimers.","Chemical communications (Cambridge, England)","2012","48","3","428","430","10.1039/c1cc14536c","","","0.71073","MoKα","","0.1137","0.0516","","","0.1362","0.146","","","","","","0.834","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7112551","14.485","0.001","14.485","0.001","35.711","0.007","90","","90","","90","","7492.7","1.6","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C98 H74 N8 Ni2 -","- C98 H74 N8 Ni2 -","- C392 H296 N32 Ni8 -","4","0.5","","Chmielewski, Piotr J.; Maciołek, Justyna","Diastereoselective methylation of bis(N-confused porphyrinatonickel(II)): access to configurationally stable chiral bis(porphyrinoid) and non-symmetric dimers.","Chemical communications (Cambridge, England)","2012","48","3","428","430","10.1039/c1cc14536c","","","0.71073","MoKα","","0.0625","0.0407","","","0.0874","0.091","","","","","","0.892","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112552","21.8601","0.0007","24.5782","0.001","17.3598","0.0009","90","","106.971","0.004","90","","8920.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C99 H77 I N8 Ni2 -","- C99 H77 I N8 Ni2 -","- C396 H308 I4 N32 Ni8 -","4","0.5","","Chmielewski, Piotr J.; Maciołek, Justyna","Diastereoselective methylation of bis(N-confused porphyrinatonickel(II)): access to configurationally stable chiral bis(porphyrinoid) and non-symmetric dimers.","Chemical communications (Cambridge, England)","2012","48","3","428","430","10.1039/c1cc14536c","","x-ray","0.71073","MoKα","","0.2017","0.094","","","0.2359","0.2541","","","","","","1.089","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112553","22.925","0.004","14.316","0.003","14.0547","0.0019","90","","101.946","0.015","90","","4512.8","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H23.5 K N3.5 O4 U -","- C21.5 H23.5 K N3.5 O4 U -","- C172 H188 K8 N28 O32 U8 -","8","2","","Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","New polynuclear U(IV)-U(V) complexes from U(IV) mediated uranyl(V) disproportionation.","Chemical communications (Cambridge, England)","2012","48","6","868","870","10.1039/c1cc16646h","","","0.71073","MoKα","","0.172","0.0932","","","0.1986","0.2419","","","","","","0.987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112554","27.5621","0.0019","10.9547","0.0008","30.626","0.003","90","","90","","90","","9247","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H104 N16 O13 U4 -","- C96 H104 N16 O13 U4 -","- C384 H416 N64 O52 U16 -","4","0.5","","Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","New polynuclear U(IV)-U(V) complexes from U(IV) mediated uranyl(V) disproportionation.","Chemical communications (Cambridge, England)","2012","48","6","868","870","10.1039/c1cc16646h","","","0.71073","MoKα","","0.1989","0.0919","","","0.1396","0.1823","","","","","","1.007","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112555","16.3093","0.0007","10.8301","0.0002","22.1561","0.0006","90","","105.356","0.003","90","","3773.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 N6 O8 U2 -","- C38 H42 N6 O8 U2 -","- C152 H168 N24 O32 U8 -","4","1","","Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","New polynuclear U(IV)-U(V) complexes from U(IV) mediated uranyl(V) disproportionation.","Chemical communications (Cambridge, England)","2012","48","6","868","870","10.1039/c1cc16646h","","","0.71073","MoKα","","0.0594","0.0377","","","0.0625","0.0684","","","","","","0.997","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112556","16.8481","0.0005","31.3059","0.0014","24.9946","0.001","90","","104.442","0.003","90","","12766.7","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C128 H147 N14 O16 U5 -","- C128 H147 N14 O16 U5 -","- C512 H588 N56 O64 U20 -","4","1","","Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","New polynuclear U(IV)-U(V) complexes from U(IV) mediated uranyl(V) disproportionation.","Chemical communications (Cambridge, England)","2012","48","6","868","870","10.1039/c1cc16646h","","","0.71073","MoKα","","0.1425","0.1038","","","0.2539","0.2766","","","","","","1.106","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112557","24.934","0.004","24.934","0.004","6.7732","0.0006","90","","90","","90","","4210.9","1","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","Barium uranyl borate phosphate","","","- B5 Ba5 H0.25 O23.125 P3 U -","- B5 Ba5 O23.125 P3 U -","- B40 Ba40 O185 P24 U8 -","8","1","","Wu, Shijun; Wang, Shuao; Diwu, Juan; Depmeier, Wulf; Malcherek, Thomas; Alekseev, Evgeny V.; Albrecht-Schmitt, Thomas E","Complex clover cross-sectioned nanotubules exist in the structure of the first uranium borate phosphate.","Chemical communications (Cambridge, England)","2012","48","29","3479","3481","10.1039/c2cc17517g","","","0.71073","MoKα","","0.0446","0.0254","","","0.0404","0.0437","","","","","","0.929","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112558","39.761","0.004","30.556","0.003","5.9332","0.0005","90","","90","","90","","7208.5","1.2","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C23 H25 N O -","- C23 H25 N O -","- C368 H400 N16 O16 -","16","1","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.0881","0.0375","","","0.0344","0.0367","","","","","","0.843","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112559","8.3576","0.001","19.611","0.002","8.8256","0.0009","90","","90","","90","","1446.5","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H25 N O -","- C16 H25 N O -","- C64 H100 N4 O4 -","4","1","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.0674","0.0369","","","0.0531","0.0555","","","","","","1.01","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112560","11.9709","0.0007","8.4897","0.0005","16.7872","0.0011","90","","104.66","0.006","90","","1650.53","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Li N3 -","- C16 H28 Li N3 -","- C64 H112 Li4 N12 -","4","1","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.0831","0.0421","","","0.0756","0.0797","","","","","","1.032","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112561","9.5449","0.0006","9.8534","0.0005","11.6027","0.0006","81.047","0.005","74.192","0.005","61.176","0.006","919.49","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H28 K N O2 -","- C18 H28 K N O2 -","- C36 H56 K2 N2 O4 -","2","2","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.0853","0.0432","","","0.0613","0.0645","","","","","","1.004","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112562","9.3923","0.0003","9.3923","0.0003","67.355","0.003","90","","90","","120","","5145.7","0.3","293","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C16 H26 K N O1.5 -","- C16 H26 K N O1.5 -","- C192 H312 K12 N12 O18 -","12","2","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.1609","0.1111","","","0.3274","0.3522","","","","","","1.016","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7112563","16.266","0.004","11.114","0.003","9.8401","0.0016","90","","101.629","0.013","90","","1742.4","0.7","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","0.71073","MoKα","","0.074","0.047","","","0.108","0.121","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112564","10.139","0.002","8.597","0.002","20.157","0.005","90","","90","","90","","1757","0.7","90","0.5","90","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","1.54178","CuKα","","0.034","0.032","","","0.083","0.084","","","","","","1.054","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112565","10.0348","0.0005","12.0728","0.0006","13.3158","0.001","110.46","0.005","102.622","0.004","101.132","0.004","1409.38","0.16","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C60 H60 N8 O12 -","2","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","1.54178","CuKα","","0.044","0.037","","","0.096","0.102","","","","","","1.025","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112566","8.9371","0.0004","10.3208","0.0005","16.1899","0.0007","77.863","0.002","81.983","0.002","78.622","0.002","1423.75","0.11","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C30.4 H18.8 Cl4.8 N4 O2 -","- C29 H16 Cl2 N4 O2 -","- C58 H32 Cl4 N8 O4 -","2","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","1.54178","CuKα","","0.0697","0.0656","","","0.1435","0.1451","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112567","9.608","0.001","14.966","0.001","17.648","0.001","112.645","0.001","98.126","0.001","90.686","0.002","2312.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 Cl N2 O6 Zn -","- C49 H63 Cl N2 O6 Zn -","- C98 H126 Cl2 N4 O12 Zn2 -","2","1","","Pucci, Daniela; Bellini, Tommaso; Crispini, Alessandra; D'Agnano, Igea; Liguori, Paola F.; Garcia-Orduña, Pilar; Pirillo, Sante; Valentini, Alessandra; Zanchetta, Giuliano","DNA binding and cytotoxicity of fluorescent curcumin-based Zn(ii) complexes","MedChemComm","2012","3","4","462","","10.1039/c2md00261b","","","0.7378","synchrotron","","0.099","0.0733","","","0.2035","0.2275","","","","","","1.079","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112568","11.372","0.004","11.428","0.005","11.129","0.004","90","","90","","90","","1446.3","1","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","none","","","- C13 H21 B F3 P -","- C13 H21 B F3 P -","- C52 H84 B4 F12 P4 -","4","1","","Li, Zibo; Chansaenpak, Kantapat; Liu, Shuanglong; Wade, Casey R.; Conti, Peter S.; Gabbaï, François P.","Harvesting 18F-fluoride ions in water via direct 18F‒19F isotopic exchange: radiofluorination of zwitterionic aryltrifluoroborates and in vivo stability studies","MedChemComm","2012","3","10","1305","","10.1039/c2md20105d","","","0.71073","MoKα","","0.0301","0.0285","","","0.0706","0.0715","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7112569","9.163","0.01","12.426","0.014","17.335","0.019","90","","100.483","0.018","90","","1941","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 B F3 O2 P -","- C21 H19 B F3 O2 P -","- C84 H76 B4 F12 O8 P4 -","4","1","","Li, Zibo; Chansaenpak, Kantapat; Liu, Shuanglong; Wade, Casey R.; Conti, Peter S.; Gabbaï, François P.","Harvesting 18F-fluoride ions in water via direct 18F‒19F isotopic exchange: radiofluorination of zwitterionic aryltrifluoroborates and in vivo stability studies","MedChemComm","2012","3","10","1305","","10.1039/c2md20105d","","","0.71073","MoKα","","0.1446","0.0895","","","0.2502","0.2884","","","","","","1.024","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112570","11.7974","0.0015","13.942","0.0018","13.4238","0.0017","90","","101.254","0.002","90","","2165.5","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2,8,9,13,13-Hexamethyl-2a,3,10c,12,13,14-hexahydro-2H-1,4,10- trioxa-dibenzo[c,g]phenanthrene-7,11-dione","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","1","","Venkatesham, A.; Rao, R. Srinivasa; Nagaiah, K.; Yadav, J. S.; RoopaJones, G.; Basha, S. J.; Sridhar, B.; Addlagatta, A.","Synthesis of new chromeno-annulated cis-fused pyrano[3,4-c]pyran derivatives via domino Knoevenagel‒hetero-Diels‒Alder reactions and their biological evaluation towards antiproliferative activity","MedChemComm","2012","3","6","652","","10.1039/c2md20023f","","","0.71073","MoKα","","0.0524","0.0431","","","0.1197","0.1279","","","","","","1.035","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112571","15.4539","0.0011","7.4613","0.0005","16.2148","0.0011","90","","106.214","0.001","90","","1795.3","0.2","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2,8,-Trimethyl-2a,3,10c,12,13,14-hexahydro-2H-1,4,10-trioxa-dibenzo[c.g] phenanthrene-7,11-dione","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","1","","Venkatesham, A.; Rao, R. Srinivasa; Nagaiah, K.; Yadav, J. S.; RoopaJones, G.; Basha, S. J.; Sridhar, B.; Addlagatta, A.","Synthesis of new chromeno-annulated cis-fused pyrano[3,4-c]pyran derivatives via domino Knoevenagel‒hetero-Diels‒Alder reactions and their biological evaluation towards antiproliferative activity","MedChemComm","2012","3","6","652","","10.1039/c2md20023f","","","0.71073","MoKα","","0.0491","0.0462","","","0.1298","0.1329","","","","","","1.043","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112572","15.248","0.0013","12.5719","0.001","14.0243","0.0012","90","","115.645","0.003","90","","2423.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H27 N3 O2 -","- C112 H108 N12 O8 -","4","1","","Mahesh Kumar, P.; Siva Kumar, K.; Meda, Chandana L. T.; Rajeshwar Reddy, G.; Mohakhud, Pradeep K.; Mukkanti, K.; Rama Krishna, G.; Malla Reddy, C.; Rambabu, D.; Shiva Kumar, K.; Krishna Priya, K.; Chennubhotla, Keerthana Sarma; Banote, Rakesh Kumar; Kulkarni, Pushkar; Parsa, Kishore V. L.; Pal, Manojit","(Pd/C-mediated)coupling‒iodocyclization‒coupling strategy in discovery of novel PDE4 inhibitors: a new synthesis of pyrazolopyrimidines","MedChemComm","2012","3","6","667","","10.1039/c2md00273f","","","0.71073","MoKα","","0.1569","0.1304","","","0.3633","0.3845","","","","","","2.591","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112573","7.3912","0.0004","12.3586","0.0006","20.4375","0.001","90","","94.331","0.002","90","","1861.53","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 I N2 O2 -","- C21 H16 I N3 O2 -","- C84 H64 I4 N12 O8 -","4","1","","Mahesh Kumar, P.; Siva Kumar, K.; Meda, Chandana L. T.; Rajeshwar Reddy, G.; Mohakhud, Pradeep K.; Mukkanti, K.; Rama Krishna, G.; Malla Reddy, C.; Rambabu, D.; Shiva Kumar, K.; Krishna Priya, K.; Chennubhotla, Keerthana Sarma; Banote, Rakesh Kumar; Kulkarni, Pushkar; Parsa, Kishore V. L.; Pal, Manojit","(Pd/C-mediated)coupling‒iodocyclization‒coupling strategy in discovery of novel PDE4 inhibitors: a new synthesis of pyrazolopyrimidines","MedChemComm","2012","3","6","667","","10.1039/c2md00273f","","","0.71073","MoKα","","0.0301","0.0242","","","0.0906","0.1041","","","","","","0.834","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112574","9.1873","0.0003","10.2806","0.0002","11.8644","0.0003","94.876","0.001","103.767","0.002","102.245","0.001","1052.76","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","4-((2-(4-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methylpiperazin- 1-yl)pyrimidin-5-y","4-((2-(4-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methylpiperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile","","- C21 H23 N8 O2 -","- C21 H23 N8 O2 -","- C42 H46 N16 O4 -","2","1","","Goldberg, Kristin; Groombridge, Sam; Hudson, Julian; Leach, Andrew G.; MacFaul, Philip A.; Pickup, Adrian; Poultney, Ruth; Scott, James S.; Svensson, Per H.; Sweeney, Joseph","Oxadiazole isomers: all bioisosteres are not created equal","MedChemComm","2012","3","5","600","","10.1039/c2md20054f","","","0.71073","MoKα","","0.0999","0.0892","","","0.1812","0.1846","","","","","","1.215","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112575","6.8535","0.0017","11.759","0.003","24.167","0.008","90","","90","","90","","1947.6","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-((2-(4-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2- methylpiperazin-1-yl) pyrimidin-5-yloxy)methyl)nicotinonitrile","4-((2-(4-(5-(difluoromethyl)-1,2,4- oxadiazol-3-yl)-2-methylpiperazin-1-yl) pyrimidin-5-yloxy)methyl)nicotinonitrile","","- C19 H18 F2 N8 O2 -","- C19 H18 F2 N8 O2 -","- C76 H72 F8 N32 O8 -","4","1","","Goldberg, Kristin; Groombridge, Sam; Hudson, Julian; Leach, Andrew G.; MacFaul, Philip A.; Pickup, Adrian; Poultney, Ruth; Scott, James S.; Svensson, Per H.; Sweeney, Joseph","Oxadiazole isomers: all bioisosteres are not created equal","MedChemComm","2012","3","5","600","","10.1039/c2md20054f","","","0.71073","MoKα","","0.0411","0.0317","","","0.0848","0.0999","","","","","","1.113","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112576","18.4455","0.0005","5.8641","0.0002","20.5004","0.0006","90","","114.067","0.001","90","","2024.69","0.11","150","2","150","2","","","","","","","synthetised","5","P 1 21/c 1","-P 2ybc","14","5-((1-(4-methoxybenzyl)piperidin-4-yl)methyloxy)pyrrolo (1,2- a)thieno(3,2-e)pyrazine","5-[(1-(4-methoxybenzyl)piperidin-4-yl)methyloxy]pyrrolo [1,2-a]thieno[3,2-e]pyrazine","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","","Lecoutey, Cédric; Rochais, Christophe; Genest, David; Butt-Gueulle, Sabrina; Ballandonne, Céline; Corvaisier, Sophie; Dulin, Fabienne; Lepailleur, Alban; Sopkova-de Oliveira Santos, Jana; Dallemagne, Patrick","Synthesis of dual AChE/5-HT4 receptor multi-target directed ligands","MedChemComm","2012","3","5","627","","10.1039/c2md20063e","","","0.71073","MoKα","","0.0636","0.0404","","","0.0947","0.1074","","","","","","1.018","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112577","11.115","0.003","5.008","0.003","14.112","0.005","90","","92.28","0.01","90","","784.9","0.6","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H9 Cl F3 N3 O2 -","- C16 H9 Cl F3 N3 O2 -","- C32 H18 Cl2 F6 N6 O4 -","2","1","","Masciocchi, Daniela; Villa, Stefania; Meneghetti, Fiorella; Pedretti, Alessandro; Barlocco, Daniela; Legnani, Laura; Toma, Lucio; Kwon, Byoung-Mog; Nakano, Shintaro; Asai, Akira; Gelain, Arianna","Biological and computational evaluation of an oxadiazole derivative (MD77) as a new lead for direct STAT3 inhibitors","MedChemComm","2012","3","5","592","","10.1039/c2md20018j","","","0.71073","MoKα","","0.2155","0.0439","","","","0.0571","","","","","","0.846","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112578","9.8549","0.001","15.641","0.002","16.5024","0.001","90","","100.507","0.006","90","","2501","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cr O5 -","- C29 H32 Cr O5 -","- C116 H128 Cr4 O20 -","4","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.097","0.0497","","","0.1018","0.1167","","","","","","0.984","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112579","7.9722","0.0004","12.8619","0.0007","13.5661","0.0005","68.848","0.003","81.683","0.003","81.459","0.002","1276.66","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 Cr F O5 -","- C29 H31 Cr F O5 -","- C58 H62 Cr2 F2 O10 -","2","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.051","0.0354","","","0.0853","0.0903","","","","","","1.059","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112580","8.9498","0.0005","11.2208","0.0009","13.8926","0.0011","90.023","0.003","106.008","0.004","104.171","0.005","1296.78","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Cr O5 -","- C30 H34 Cr O5 -","- C60 H68 Cr2 O10 -","2","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.0735","0.0415","","","0.0976","0.1162","","","","","","0.979","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112581","32.4358","0.0019","34.6","0.002","9.8268","0.0005","90","","90","","90","","11028.4","1.1","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H31 Cr F3 O5 -","- C30 H31 Cr F3 O5 -","- C480 H496 Cr16 F48 O80 -","16","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.0545","0.0385","","","0.0781","0.0836","","","","","","1.039","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112582","9.2497","0.0007","10.8904","0.0009","11.0733","0.0009","84.708","0.006","73.497","0.006","69.745","0.006","1003.34","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H11 Br Cl2 N2 O4 S -","- C19 H11 Br Cl2 N2 O4 S -","- C38 H22 Br2 Cl4 N4 O8 S2 -","2","1","","Ali, Sher; Saeed, Aamer; Abbas, Naeem; Shahid, Mohammad; Bolte, Michael; Iqbal, Jamshed","Design, synthesis and molecular modelling of novel methyl[4-oxo-2-(aroylimino)-3-(substituted phenyl)thiazolidin-5-ylidene]acetates as potent and selective aldose reductase inhibitors","MedChemComm","2012","3","11","1428","","10.1039/c2md20228j","","","0.71073","MoKα","","0.0799","0.0676","","","0.1817","0.1928","","","","","","1.037","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112583","5.6345","0.0003","6.2244","0.0003","16.3779","0.0009","90","","92.902","0.004","90","","573.66","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C24 H20 O4 S4 -","2","0.5","","Luo, Yi; Li, Xiaoling; Chen, Tianfeng; Wang, Yi; Zheng, Wenjie","Synthesis of a novel thiophene derivative that induces cancer cell apoptosis through modulation of AKT and MAPK pathways","MedChemComm","2012","3","9","1143","","10.1039/c2md20041d","","","0.71073","MoKα","","0.0752","0.0609","","","0.1745","0.19","","","","","","1.092","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112584","51.309","0.006","7.2426","0.001","10.7246","0.0012","90","","94.098","0.006","90","","3975.2","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H27 Fe N3 O2 -","- C21 H27 Fe N3 O2 -","- C168 H216 Fe8 N24 O16 -","8","1","","Spencer, John; Amin, Jahangir; Boddiboyena, Ramesh; Packham, Graham; Cavell, Breeze E.; Syed Alwi, Sharifah S.; Paranal, Ronald M.; Heightman, Tom D.; Wang, Minghua; Marsden, Brian; Coxhead, Peter; Guille, Matthew; Tizzard, Graham J.; Coles, Simon J.; Bradner., James E.","Click JAHAs: conformationally restricted ferrocene-based histone deacetylase inhibitors","MedChemComm","2012","3","1","61","","10.1039/c1md00203a","","","0.71073","MoKα","","0.1332","0.0816","","","0.1966","0.2289","","","","","","1.046","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7152101","6.393","0.013","9.37","0.02","26.44","0.06","90","","92.38","0.02","90","","1582","6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N O3 -","- C16 H11 Cl2 N O3 -","- C64 H44 Cl8 N4 O12 -","4","1","","Lu, Shen-Ci; Wang, Wei-Xia; Gao, Pan-Liang; Zhang, Wei; Tu, Zhi-Feng","Photoinduced chlorine atom-transfer cyclization/photohydrolysis of 3-acyl-2-chloro-N-(ω-phenylalkynyl)pyrroles: a one-pot synthesis of benzoyl-substituted fused pyrroles.","Organic & biomolecular chemistry","2012","10","2","232","235","10.1039/c1ob05954h","","","0.71073","MoKα","","0.3128","0.1024","","","0.1659","0.2454","","","","","","0.958","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152102","14.3728","0.0002","14.5231","0.0002","14.9321","0.0003","66.097","0.001","62.095","0.001","73.914","0.001","2503.44","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H54 N10 O13 -","- C53 H54 N10 O13 -","- C106 H108 N20 O26 -","2","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.1033","0.0575","","","0.1217","0.1416","","","","","","1.03","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152103","8.0009","0.0002","25.2757","0.0005","12.9386","0.0003","90","","92.918","0.001","90","","2613.16","0.1","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N5 O8 -","- C27 H31 N5 O8 -","- C108 H124 N20 O32 -","4","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.046","0.0366","","","0.0816","0.0866","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152104","11.8038","0.0004","16.2989","0.0005","19.3777","0.0008","90","","105.682","0.002","90","","3589.3","0.2","132","2","132","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O S2 -","- C22 H15 N O S2 -","- C176 H120 N8 O8 S16 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.1403","0.0844","","","0.18","0.2007","","","","","","1.176","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152105","8.7105","0.0006","8.3893","0.0006","41.097","0.003","90","","90","","90","","3003.2","0.4","132","2","132","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H13 Cl N2 O2 S -","- C17 H13 Cl N2 O2 S -","- C136 H104 Cl8 N16 O16 S8 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.0746","0.0562","","","0.1334","0.143","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152106","7.723","0.002","9.374","0.004","24.947","0.007","90","","95.26","0.03","90","","1798.4","1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C92 H68 N4 O8 S4 -","4","1","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.052","0.0391","","","0.1006","0.1074","","","","","","1.02","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152107","10.8844","0.0004","14.3626","0.0006","15.4658","0.001","113.395","0.003","103.121","0.003","99.252","0.002","2074.15","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 Cl3 Dy N8 O10 -","- C31 H58 Cl3 Dy N8 O10 -","- C62 H116 Cl6 Dy2 N16 O20 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0289","0.0237","","","0.0593","0.062","","","","","","1.056","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152108","11.1524","0.0006","13.9136","0.0007","15.2106","0.0012","110.878","0.003","103.133","0.003","100.034","0.002","2061.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 Cl3 N8 Nd O10 -","- C31 H58 Cl3 N8 Nd O10 -","- C62 H116 Cl6 N16 Nd2 O20 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0347","0.0269","","","0.0615","0.0647","","","","","","1.069","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152109","10.8916","0.0005","14.362","0.0006","15.4604","0.001","113.338","0.002","103.205","0.003","99.22","0.002","2075","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H57 Cl3 N8 O10 Tb -","- C31 H57 Cl3 N8 O10 Tb -","- C62 H114 Cl6 N16 O20 Tb2 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0263","0.0224","","","0.0574","0.0598","","","","","","1.066","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152110","10.8858","0.0005","14.3185","0.0006","15.4483","0.0007","113.484","0.002","102.767","0.002","99.404","0.002","2067","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H53 Cl3 N8 O10 Yb -","- C31 H53 Cl3 N8 O10 Yb -","- C62 H106 Cl6 N16 O20 Yb2 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0431","0.0303","","","0.0631","0.0683","","","","","","1.063","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152111","12.828","0.002","11.141","0.002","16.665","0.003","90","","103.208","0.01","90","","2318.7","0.7","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 F2 N2 O -","- C30 H22 F2 N2 O -","- C120 H88 F8 N8 O4 -","4","1","","Zhou, Rong; Wang, Jianfang; Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [4 + 2] annulation and vinylogous addition reactions between 1,4-dien-3-ones and 1,1-dicyanoalkenes.","Organic & biomolecular chemistry","2012","10","4","773","781","10.1039/c1ob06187a","","","0.71073","MoKα","","0.0332","0.0285","","","0.0599","0.0606","","","","","","1.043","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152113","10.3225","0.0007","11.2447","0.0008","16.7681","0.0011","90","","114.116","0.004","90","","1776.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C80 H64 N16 O8 -","8","2","","Li, Ping; Teng, Bo-Tao; Jin, Fa-Gen; Li, Xin-Sheng; Zhu, Wei-Dong; Xie, Jian-Wu","Synthesis of functionalized 2,3-dihydroisoxazoles by domino reactions in water and unexpected ring-opening reactions of 2,3-dihydroisoxazoles.","Organic & biomolecular chemistry","2012","10","2","244","247","10.1039/c1ob06318a","","","0.71073","MoKα","","","0.0483","","","0.1209","0.1477","","","","","","1.01","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152114","6.2773","0.0003","9.4898","0.0006","10.1036","0.0006","90","","90","","90","","601.87","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0292","0.0264","","0.0332","0.0301","0.0301","","","","","","1.0409","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152115","6.7114","0.0003","10.2593","0.0004","17.4506","0.0007","90","","90","","90","","1201.55","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0287","0.0253","","0.0355","0.0305","0.0305","","","","","","1.0396","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152116","5.0789","0.0002","11.0036","0.0005","10.9164","0.0005","90","","90.128","0.002","90","","610.07","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0235","0.0214","","0.0283","0.0252","0.0252","","","","","","1.1423","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152117","5.6736","0.0002","9.5781","0.0004","10.7239","0.0004","90","","90","","90","","582.76","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0276","0.0245","","0.0348","0.0291","0.0291","","","","","","1.1434","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152118","6.4573","0.0003","9.4912","0.0005","10.0281","0.0005","90","","90","","90","","614.6","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0268","0.0242","","0.0314","0.0283","0.0283","","","","","","1.0708","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152119","6.1219","0.0003","8.5353","0.0006","11.8539","0.0008","90","","90","","90","","619.39","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0309","0.0255","","0.0388","0.0295","0.0295","","","","","","0.9937","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152120","6.6936","0.0005","7.0452","0.0005","6.707","0.0005","90","","99.357","0.002","90","","312.08","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0263","0.0235","","0.0294","0.0268","0.0268","","","","","","1.1023","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152121","6.1357","0.0004","5.1847","0.0003","9.4064","0.0006","90","","93.064","0.002","90","","298.81","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0264","0.0242","","0.0313","0.0275","0.0275","","","","","","1.1586","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152122","7.698","0.0002","8.773","0.0002","8.885","0.0003","90","","94.976","0.0016","90","","597.78","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0325","0.0273","","0.0366","0.0308","0.0308","","","","","","1.0295","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152123","8.193","0.0003","7.164","0.0003","10.941","0.0005","90","","109.287","0.002","90","","606.14","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.047","0.0304","","0.0581","0.0345","0.0345","","","","","","1.0842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152124","6.3628","0.0002","9.2072","0.0003","10.1628","0.0003","90","","90","","90","","595.37","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0347","0.0295","","0.0384","0.0341","0.0341","","","","","","1.1757","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152125","5.7591","0.0003","6.2197","0.0003","16.2984","0.0008","90","","90","","90","","583.81","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0373","0.0271","","0.0413","0.0308","0.0308","","","","","","1.1361","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152126","6.1181","0.0003","7.1297","0.0003","6.9272","0.0004","90","","94.628","0.002","90","","301.18","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C12 H14 F2 O6 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0266","0.0235","","0.0318","0.0277","0.0277","","","","","","1.1481","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152127","6.271","0.0002","7.6812","0.0002","12.1999","0.0003","90","","90","","90","","587.65","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0281","0.0267","","0.0303","0.0298","0.0298","","","","","","1.1424","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152128","6.3457","0.0002","7.8536","0.0004","12.1288","0.0005","90","","90","","90","","604.46","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0317","0.0281","","0.0351","0.0295","0.0295","","","","","","1.1513","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152129","7.2178","0.001","8.7675","0.0013","9.5","0.002","90","","90","","90","","601.18","0.18","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0377","0.0295","","0.0475","0.0334","0.0334","","","","","","1.0651","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152130","5.1716","0.0002","5.2806","0.0002","6.082","0.0003","68.403","0.002","67.501","0.002","80.743","0.003","142.64","0.011","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C6 H7 F O3 -","1","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.027","0.0261","","0.0281","0.0274","0.0274","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152131","6.7058","0.0005","8.1556","0.0005","10.7504","0.0007","90","","90","","90","","587.94","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0327","0.0261","","0.0399","0.0308","0.0308","","","","","","1.0307","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152132","6.224","0.0004","10.6879","0.0006","8.8554","0.0004","90","","106.7","0.004","90","","564.23","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C26 H26 F2 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0413","0.031","","0.0445","0.0309","0.0309","","","","","","1.1805","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152133","6.203","0.002","13.362","0.005","18.973","0.007","90","","106.802","0.01","90","","1505.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","1","","Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu","Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2012","10","2","346","354","10.1039/c1ob06346d","","","0.71073","MoKα","","0.0882","0.059","","","0.1615","0.185","","","","","","1.055","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152134","9.912","0.004","13.636","0.005","10.633","0.004","90","","104.257","0.005","90","","1392.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu","Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2012","10","2","346","354","10.1039/c1ob06346d","","","0.71073","MoKα","","0.0696","0.0457","","","0.125","0.1423","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152135","13.063","0.002","13.707","0.002","13.95","0.002","99.713","0.002","99.524","0.002","99.393","0.002","2380.7","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H57 N3 O21 -","- C42 H57 N3 O21 -","- C84 H114 N6 O42 -","2","1","","Nieto-García, Olaia; Lago-Santomé, Hugo; Cagide-Fagín, Fernando; Ortiz-Lara, Juan Carlos; Alonso, Ricardo","A formal [3+3]-annulation-based approach to pancratistatins: total synthesis of (±)-7-deoxy-pancratistatin and its 2-epi and 2,4-diepi analogues.","Organic & biomolecular chemistry","2012","10","4","825","834","10.1039/c1ob06374j","","","0.71069","MoKα","","0.1024","0.0501","","","0.1423","0.1755","","","","","","0.712","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152136","8.9268","0.0017","8.9385","0.0017","9.3112","0.0017","68.989","0.017","78.429","0.016","74.952","0.016","665","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C30 H46 N2 O4 -","2","1","","Gignoux, Camille; Newton, Annabella F.; Barthelme, Alexandre; Lewis, William; Alcaraz, Marie-Lyne; Stockman, Robert A.","Combining two-directional synthesis and tandem reactions: a short formal synthesis of halichlorine.","Organic & biomolecular chemistry","2012","10","1","67","69","10.1039/c1ob06380d","","","1.5418","CuKα","","0.0691","0.0666","","","0.1782","0.1796","","","","","","1.129","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152137","15.9979","0.0003","29.8312","0.0005","20.5629","0.0005","90","","105.044","0.003","90","","9477","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H111 Br2 Cl9 N4 O9 -","- C87 H96.3 Br2 Cl9 N4 O8 -","- C348 H385.2 Br8 Cl36 N16 O32 -","4","1","","El Moll, Hani; Sémeril, David; Matt, Dominique; Toupet, Loïc; Harrowfield, Jean-Jacques","Resorcin[4]arene-derived mono-, bis- and tetra-imidazolium salts as ligand precursors for Suzuki-Miyaura cross-coupling.","Organic & biomolecular chemistry","2012","10","2","372","382","10.1039/c1ob06404e","","","0.71073","MoKα","","0.2379","0.0955","","","0.2681","0.3073","","","","","","0.873","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152138","8.466","0.0003","7.2644","0.0002","22.2712","0.0007","90","","95.081","0.001","90","","1364.31","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sarpong13","sarpong13","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C60 H60 Cl4 N8 O4 -","4","1","","Hardin Narayan, Alison R.; Sarpong, Richmond","Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.","Organic & biomolecular chemistry","2012","10","1","70","78","10.1039/c1ob06423a","","","1.54178","CuKα","","0.0361","0.0353","","","0.0949","0.0956","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7152139","22.2396","0.0013","12.8939","0.0007","10.309","0.0006","90","","110.568","0.003","90","","2767.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","sarpong18","sarpong18","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Hardin Narayan, Alison R.; Sarpong, Richmond","Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.","Organic & biomolecular chemistry","2012","10","1","70","78","10.1039/c1ob06423a","","","1.54178","CuKα","","0.0479","0.0465","","","0.1257","0.1274","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7152140","13.908","0.002","11.0651","0.0018","12.376","0.002","90","","91.176","0.004","90","","1904.2","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Peng, Shiyong; Wang, Lei; Wang, Jian","Iron-catalyzed ene-type propargylation of diarylethylenes with propargyl alcohols.","Organic & biomolecular chemistry","2012","10","2","225","228","10.1039/c1ob06456h","","","0.71073","MoKα","","0.0607","0.0494","","","0.1195","0.1256","","","","","","1.049","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152141","16.337","0.002","9.364","0.002","36.071","0.003","90","","90","","90","","5518.1","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N4 S6 -","- C26 H24 N4 S6 -","- C208 H192 N32 S48 -","8","1","","Rivadehi, Shadi; Reid, Ellen F.; Hogan, Conor F.; Bhosale, Sheshanath V.; Langford, Steven J.","Fluoride-selective optical sensor based on the dipyrrolyl-tetrathiafulvalene chromophore.","Organic & biomolecular chemistry","2012","10","4","705","709","10.1039/c1ob06459b","","","0.77051","","","0.0374","0.0351","","","0.0986","0.1001","","","","","","1.061","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152142","13.215","0.003","14.889","0.003","17.81","0.004","89.02","0.03","85.32","0.03","65.87","0.03","3186.9","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H36 O3 -","- C42 H36 O3 -","- C168 H144 O12 -","4","2","","Yu, Jin-Tao; Huang, Zhi-Tang; Zheng, Qi-Yu","Synthesis, structure, fullerene-binding and resolution of C(3)-symmetric cavitands with rigid and deep cavities.","Organic & biomolecular chemistry","2012","10","7","1359","1364","10.1039/c1ob06465g","","","0.71073","MoKα","","0.1407","0.122","","","0.3169","0.33","","","","","","1.125","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152143","12.237","0.0013","7.6556","0.0008","12.237","0.0013","90","","108.92","","90","","1084.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N O2 -","- C15 H9 N O2 -","- C60 H36 N4 O8 -","4","1","","Xia, Ziming; Wang, Kuo; Zheng, Jiening; Ma, Zheyong; Jiang, Zhanguo; Wang, Xiaoxia; Lv, Xin","Copper-catalyzed domino intramolecular cyclization: a facile and efficient approach to polycyclic indole derivatives.","Organic & biomolecular chemistry","2012","10","8","1602","1611","10.1039/c1ob06488f","","","0.71073","MoKα","","0.1756","0.0983","","","0.2342","0.3158","","","","","","0.901","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152144","18.554","0.004","6.256","0.0015","13.851","0.003","90","","100.778","0.004","90","","1579.4","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4R,4aR,10bS)-4-(4-methoxyphenyl)-2,4,4a,5,6,10b-hexahydro-1H- benzo[f]isochromene","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Subba Reddy, B. V.; Borkar, Prashant; Yadav, J. S.; Purushotham Reddy, P.; Kunwar, A. C.; Sridhar, B.; Grée, René","Oxidative Prins and Prins/Friedel-Crafts cyclizations for the stereoselective synthesis of dioxabicycles and hexahydro-1H-benzo[f]isochromenes via the benzylic C-H activation.","Organic & biomolecular chemistry","2012","10","7","1349","1358","10.1039/c1ob06489d","","x-ray","0.71073","MoKα","","0.0798","0.0554","","","0.1105","0.1233","","","","","","1.12","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152145","6.1634","0.0006","11.2748","0.001","19.9532","0.0016","90","","90","","90","","1386.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0759","0.0446","","","0.0848","0.0939","","","","","","0.99","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152146","13.5897","0.0004","11.4742","0.0003","10.2062","0.0003","90","","110.969","0.002","90","","1486.07","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N3 O2 -","- C18 H12 Cl N3 O2 -","- C72 H48 Cl4 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0454","0.0347","","","0.0923","0.0971","","","","","","1.06","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152147","13.5332","0.0007","11.4883","0.0006","10.268","0.0005","90","","111.013","0.002","90","","1490.24","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0947","0.0494","","","0.1064","0.1206","","","","","","1.022","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152148","12.7467","0.0005","16.7588","0.0006","7.5184","0.0003","90","","105.053","0.002","90","","1550.97","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0612","0.0443","","","0.1195","0.1272","","","","","","1.097","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152149","7.0888","0.0004","24.91","0.0013","8.8454","0.0004","90","","101.728","0.003","90","","1529.33","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N3 O S -","- C17 H16 Cl N3 O S -","- C68 H64 Cl4 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0673","0.0403","","","0.0855","0.0933","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152150","6.3395","0.0002","7.8493","0.0003","31.3577","0.0012","90","","90","","90","","1560.38","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0498","0.0364","","","0.0772","0.0824","","","","","","1.031","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152151","9.934","0.0014","9.0722","0.0012","14.812","0.002","90","","104.519","0.003","90","","1292.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O7 S2 -","- C29 H25 N O7 S2 -","- C58 H50 N2 O14 S4 -","2","1","","Du, Zhiyun; Zhou, Chenggang; Gao, Yaojun; Ren, Qiao; Zhang, Kun; Cheng, Hansong; Wang, Wei; Wang, Jian","Expeditious diastereoselective construction of a thiochroman skeleton via a cinchona alkaloid-derived catalyst.","Organic & biomolecular chemistry","2012","10","1","36","39","10.1039/c1ob06497e","","","0.71073","MoKα","","0.0365","0.0355","","","0.0906","0.0915","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152152","10.021","0.007","12.749","0.006","10.714","0.006","90","","90","","90","","1368.8","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.0792","0.0571","","","0.1442","0.1577","","","","","","1.074","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152153","7.891","0.007","8.626","0.004","10.666","0.008","71.25","0.05","83.35","0.05","74.83","0.04","663.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.1059","0.0634","","","0.1709","0.1886","","","","","","1.184","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152154","8.5579","0.0017","9.7108","0.0019","11.568","0.003","73.985","0.004","68.692","0.003","73.448","0.003","842.4","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Br O5 -","- C18 H19 Br O5 -","- C36 H38 Br2 O10 -","2","1","","Pei, Cheng-Kui; Wu, Lei; Lian, Zhong; Shi, Min","DABCO-catalyzed regioselective cyclization reactions of β,γ-unsaturated α-ketophosphonates or β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","1","171","180","10.1039/c1ob06507f","","","0.71073","MoKα","","0.0586","0.0438","","","0.1321","0.1445","","","","","","0.979","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152155","14.217","0.0014","7.484","0.0008","14.487","0.0015","90","","93.356","0.007","90","","1538.8","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Li, Xin; Xue, Xiao-Song; Liu, Cong; Wang, Bin; Tan, Bo-Xuan; Jin, Jia-Lu; Zhang, Yue-Yan; Dong, Nan; Cheng, Jin-Pei","Asymmetric Michael addition reactions of 3-substituted benzofuran-2(3H)-ones to nitroolefins catalyzed by a bifunctional tertiary-amine thiourea.","Organic & biomolecular chemistry","2012","10","2","413","420","10.1039/c1ob06518a","","","0.71075","MoKα","","0.0662","0.0487","","","0.0769","0.0837","","","","","","0.967","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152156","8.2333","0.0004","10.2275","0.0006","21.9756","0.0012","90","","92.507","0.002","90","","1848.71","0.17","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I2 N2 -","- C20 H18 I2 N2 -","- C80 H72 I8 N8 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.0561","0.0532","","","0.1467","0.1482","","","","","","1.316","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152157","7.0749","0.0006","12.5777","0.0015","26.548","0.003","90","","90.531","0.012","90","","2362.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br Cl3 I N2 -","- C21 H19 Br Cl3 I N2 -","- C84 H76 Br4 Cl12 I4 N8 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.053","0.0354","","","0.0904","0.0989","","","","","","1.049","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152158","12.3454","0.0012","10.2075","0.001","15.1939","0.0015","90","","91.473","0.01","90","","1914","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl I N2 O -","- C20 H20 Cl I N2 O -","- C80 H80 Cl4 I4 N8 O4 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.0277","0.0237","","","0.0692","0.071","","","","","","1.075","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152159","16.8192","0.0013","16.3863","0.0013","8.5845","0.0006","90","","90.086","0.003","90","","2365.9","0.3","90","2","90","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N3 O5 P -","- C23 H27 I N3 O5 P -","- C92 H108 I4 N12 O20 P4 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","x-ray","0.71073","MoKα","","0.0896","0.0617","","","0.1398","0.1559","","","","","","1.02","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152160","9.7632","0.0009","21.4713","0.0019","10.1143","0.0009","90","","111.853","0.002","90","","1967.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br F2 N2 -","- C23 H17 Br F2 N2 -","- C92 H68 Br4 F8 N8 -","4","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.0945","0.0538","","","0.1325","0.1461","","","","","","0.878","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152161","12.5433","0.0014","13.5672","0.0015","12.0025","0.0014","90","","107.766","0.002","90","","1945.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br F2 N2 -","- C23 H17 Br F2 N2 -","- C92 H68 Br4 F8 N8 -","4","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.0797","0.0454","","","0.1041","0.1106","","","","","","0.888","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152162","9.67","0.002","9.854","0.002","11.723","0.003","81.755","0.004","85.472","0.004","62.643","0.004","981.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F3 N2 O -","- C23 H17 F3 N2 O -","- C46 H34 F6 N4 O2 -","2","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.115","0.0662","","","0.1634","0.1972","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152163","18.8187","0.0003","16.0647","0.0003","26.4451","0.0003","90","","93.062","0.001","90","","7983.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N8 O7 -","- C72 H110 Cl4 N8 O7 -","- C288 H440 Cl16 N32 O28 -","4","1","","Belén Jiménez, M; Alcázar, Victoria; Peláez, Rafael; Sanz, Francisca; Fuentes de Arriba, Angel L.; Caballero, M. Cruz","Bis-amidocarbazolyl urea receptor for short-chain dicarboxylate anions.","Organic & biomolecular chemistry","2012","10","6","1181","1185","10.1039/c1ob06540h","","","1.54178","CuKα","","0.0888","0.0715","","","0.218","0.24","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152164","27.892","0.003","17.134","0.0018","30.726","0.003","90","","94.856","0.005","90","","14631","3","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H108 Cl4 N8 O7 -","- C71 H108 Cl4 N8 O7 -","- C568 H864 Cl32 N64 O56 -","8","2","","Belén Jiménez, M; Alcázar, Victoria; Peláez, Rafael; Sanz, Francisca; Fuentes de Arriba, Angel L.; Caballero, M. Cruz","Bis-amidocarbazolyl urea receptor for short-chain dicarboxylate anions.","Organic & biomolecular chemistry","2012","10","6","1181","1185","10.1039/c1ob06540h","","","0.71073","MoKα","","0.2073","0.1454","","","0.3771","0.407","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152165","6.805","0.005","13.163","0.005","13.478","0.005","90","0.005","99.373","0.005","90","0.005","1191.2","1.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.0973","0.0459","","","0.0823","0.1016","","","","","","0.985","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152166","6.717","0.003","7.176","0.003","12.147","0.004","99.024","0.011","99.364","0.012","91.872","0.011","569.5","0.4","293","","293","","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","1","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.1285","0.0769","","","0.1893","0.2251","","","","","","0.997","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152167","5.7243","0.0003","18.0071","0.0008","11.168","0.0005","90","","96.429","0.004","90","","1143.94","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0543","0.0325","","","0.0558","0.0594","","","","","","0.892","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152168","5.7726","0.0006","17.59","0.002","11.5824","0.0014","90","","96.205","0.01","90","","1169.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1006","0.0481","","","0.0871","0.0966","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152169","9.5504","0.0003","25.2883","0.0007","10.0653","0.0003","90","","103.733","0.003","90","","2361.41","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.049","0.0313","","","0.0567","0.0584","","","","","","0.851","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152170","9.67","0.0003","12.489","0.0005","19.8078","0.0007","90","","93.06","0.003","90","","2388.75","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0856","0.0546","","","0.0912","0.1037","","","","","","1.04","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152171","13.539","0.002","13.615","0.002","13.6874","0.0017","90","","97.139","0.0012","90","","2503.5","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butoxycarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C104 H132 N12 O16 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1341","0.0558","","","0.0906","0.1083","","","","","","0.873","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152172","13.9784","0.0017","6.7384","0.0008","20.781","0.003","90","","106.778","0.003","90","","1874.1","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Br O4 -","- C24 H15 Br O4 -","- C96 H60 Br4 O16 -","4","1","","Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei","Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2012","10","4","843","847","10.1039/c1ob06571h","","","0.71073","MoKα","","0.0936","0.042","","","0.0757","0.0899","","","","","","0.984","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152173","8.9178","0.0008","11.7133","0.0011","12.8242","0.0011","100.054","0.001","104.185","0.001","108.823","0.001","1181.39","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H19 Br O3 -","- C33 H19 Br O3 -","- C66 H38 Br2 O6 -","2","1","","Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei","Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2012","10","4","843","847","10.1039/c1ob06571h","","","0.71073","MoKα","","0.0402","0.032","","","0.0734","0.0771","","","","","","1.013","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152174","11.4815","0.0014","17.5731","0.0015","10.472","0.001","90","","105.993","0.011","90","","2031.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Griffin, Karen; Montagne, Cyril; Hoang, Cam Thuy; Clarkson, Guy J.; Shipman, Michael","Lewis acid promoted intramolecular (3 + 2) 'cycloadditions' of methyleneaziridines with alkene and alkyne acceptors.","Organic & biomolecular chemistry","2012","10","5","1032","1039","10.1039/c1ob06578e","","","1.54184","CuKα","","0.0849","0.0746","","","0.2304","0.2554","","","","","","1.15","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152175","20.6692","0.0004","7.93121","0.00018","29.3363","0.0008","90","","90","","90","","4809.15","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H14 Cl3 O P S4 -","- C21 H14 Cl3 O P S4 -","- C168 H112 Cl24 O8 P8 S32 -","8","2","","Wan, Jun-Hua; Fang, Wei-Fen; Li, Yi-Bao; Xiao, Xu-Qiong; Zhang, Li-Hong; Xu, Zheng; Peng, Jia-Jian; Lai, Guo-Qiao","Phosphole modified pentathienoacene: Synthesis, electronic properties and self-assembly.","Organic & biomolecular chemistry","2012","10","7","1459","1466","10.1039/c1ob06584j","","","0.71073","MoKα","","0.0737","0.0576","","","0.141","0.1509","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152176","5.4561","0.0002","7.8785","0.0003","14.0005","0.0007","90","","90.132","0.002","90","","601.82","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C30 H22 Cl2 O4 -","2","1","","Allen, Joseph C.; Kociok-Köhn, Gabriele; Frost, Christopher G.","Rhodium-catalysed enantioselective synthesis of 4-arylchroman-2-ones.","Organic & biomolecular chemistry","2012","10","1","32","35","10.1039/c1ob06586f","","","0.71073","MoKα","","0.05","0.0377","","","0.0906","0.0975","","","","","","1.078","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152177","5.5511","0.0001","15.6885","0.0003","25.0161","0.0007","90","","90","","90","","2178.61","0.08","150","","150","","","","","","","","synthetic","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0875","0.0646","","0.1802","0.1629","0.1799","","","","","","0.9956","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152178","16.2188","0.0004","7.3588","0.0002","17.0482","0.0004","90","","104.047","0.0013","90","","1973.88","0.09","150","","150","","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C88 H80 N16 S8 -","8","2","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0568","0.0427","","0.1188","0.1061","0.1188","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152179","5.135","0.0002","10.7533","0.0006","15.1732","0.0008","90","","94.763","0.003","90","","834.94","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 N2 S -","- C7 H12 N2 S -","- C28 H48 N8 S4 -","4","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.079","0.0623","","0.1829","0.1697","0.1829","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152180","8.935","0.0018","20.224","0.004","11.92","0.002","90","","108.98","0.03","90","","2036.9","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C96 H84 N20 O8 -","4","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71073","MoKα","","0.0635","0.0502","","","0.125","0.1367","","","","","","1.116","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152181","9.926","0.002","10.434","0.002","10.832","0.002","105.94","0.03","101.26","0.03","102.67","0.03","1012.7","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C48 H42 N10 O4 -","2","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71073","MoKα","","0.0496","0.0359","","","0.0975","0.1036","","","","","","1.012","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152182","11.722","0.0017","11.809","0.0018","14.791","0.0018","96.802","0.008","93.368","0.002","119.634","0.009","1750.7","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H44 N4 O4.5 -","- C40.5 H44 N4 O4.5 -","- C81 H88 N8 O9 -","2","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71075","MoKα","","0.0748","0.0523","","","0.1545","0.1633","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152183","9.31","0.004","12.038","0.003","27.103","0.007","90","","90","","90","","3037.5","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 B O3 P2 -","- C32 H37 B O3 P2 -","- C128 H148 B4 O12 P8 -","4","1","","Boyd, Derek R.; Bell, Mark; Dunne, Katherine S.; Kelly, Brian; Stevenson, Paul J.; Malone, John F.; Allen, Christopher C. R.","Chemoenzymatic synthesis of a mixed phosphine-phosphine oxide catalyst and its application to asymmetric allylation of aldehydes and hydrogenation of alkenes.","Organic & biomolecular chemistry","2012","10","7","1388","1395","10.1039/c1ob06599h","","","0.71073","MoKα","","0.1624","0.0699","","","0.1765","0.2326","","","","","","0.976","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152184","9.2092","0.001","13.6899","0.0014","14.6484","0.0016","90.884","0.003","99.028","0.003","103.338","0.003","1772.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N11 O8 -","- C37 H33 N11 O8 -","- C74 H66 N22 O16 -","2","1","","Zhao, Huaiqing; Ong, Wei Qiang; Fang, Xiao; Zhou, Feng; Hii, Meng Ni; Li, Sam Fong Yau; Su, Haibin; Zeng, Huaqiang","Synthesis, structural investigation and computational modelling of water-binding aquafoldamers.","Organic & biomolecular chemistry","2012","10","6","1172","1180","10.1039/c1ob06609a","","","0.71073","MoKα","","0.0885","0.053","","","0.1169","0.1292","","","","","","0.961","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152185","7.037","0.004","12.336","0.006","13.346","0.007","76.67","0.009","76.633","0.009","83.431","0.009","1094.5","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H20 O4 -","- C31 H20 O4 -","- C62 H40 O8 -","2","1","","Gong, Jian; Xie, Fuchun; Ren, Wenming; Chen, Hong; Hu, Youhong","Domino reactions of 2-methyl chromones containing an electron withdrawing group with chromone-fused dienes.","Organic & biomolecular chemistry","2012","10","3","486","489","10.1039/c1ob06613g","","","0.71073","MoKα","","0.1658","0.0766","","","0.1881","0.2406","","","","","","0.901","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152186","11.3442","0.0011","19.983","0.0018","13.8952","0.0013","90","","99.66","0.003","90","","3105.3","0.5","","","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8-(5-cyano-3-methyl-6-(1-methyl-1H-indol-3-yl)-1-phenyl-1H-pyrazolo [3,4-b]pyridin-4-yl)-1-naphthoic acid","","","- C37 H30 N6 O3 -","- C37 H30 N6 O3 -","- C148 H120 N24 O12 -","4","1","","Hao, Yan; Xu, Xiao-Ping; Chen, Tao; Zhao, Li-Li; Ji, Shun-Jun","Multicomponent approaches to 8-carboxylnaphthyl-functionalized pyrazolo[3,4-b]pyridine derivatives.","Organic & biomolecular chemistry","2012","10","4","724","728","10.1039/c1ob06624b","","","","","","0.1144","0.0789","","","0.1621","0.181","","","","","","1.15","","","","has coordinates","288218","2023-12-11","20:45:25",""
"7152187","11.6327","0.0011","11.6667","0.001","15.0995","0.0013","90","","104.81","0.004","90","","1981.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H52 N6 S -","- C46 H52 N6 S -","- C92 H104 N12 S2 -","2","1","","Oh, Joong-Suk; Lee, Ji-Woong; Ryu, Tae Hee; Lee, Jae Heon; Song, Choong Eui","Self-association free bifunctional thiourea organocatalysts: synthesis of chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2012","10","5","1052","1055","10.1039/c1ob06629c","","","0.71073","MoKα","","0.1018","0.0684","","","0.1819","0.2095","","","","","","1.026","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152188","5.812","0.0005","6.7788","0.0006","25.807","0.002","90","","90","","90","","1016.75","0.15","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C40 H48 Br4 N4 O8 -","4","1","","Clerici, Paolo; Wennemers, Helma","Mono thiomalonates as thioester enolate equivalents‒enantioselective 1,4-addition reactions to nitroolefins under mild conditions.","Organic & biomolecular chemistry","2012","10","1","110","113","10.1039/c1ob06638b","","","0.71073","MoKα","","0.0412","0.0221","","0.0381","0.021","0.0205","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152189","12.9848","0.0017","17.0304","0.0017","24.393","0.003","90","","90","","90","","5394.2","1.1","298","2","298","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C176 H280 Al8 Br8 Cl16 N8 O16 -","4","0.5","","Wang, Chubei; Xu, Chao; Tan, Xiaosong; Peng, Hao; He, Hongwu","The asymmetric synthesis of chiral cyclic α-hydroxy phosphonates and quaternary cyclic α-hydroxy phosphonates.","Organic & biomolecular chemistry","2012","10","8","1680","1685","10.1039/c1ob06669b","","","0.71073","MoKα","","0.0612","0.0424","","","0.0947","0.0997","","","","","","0.934","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152190","8.581","0.0018","9.4511","0.0019","18.265","0.004","90","","90","","90","","1481.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br N2 O -","- C16 H13 Br N2 O -","- C64 H52 Br4 N8 O4 -","4","1","","Huang, Long; Wei, Yin; Shi, Min","Asymmetric substitutions of O-Boc-protected Morita-Baylis-Hillman adducts with pyrrole and indole derivatives.","Organic & biomolecular chemistry","2012","10","7","1396","1405","10.1039/c1ob06671d","","","0.71073","MoKα","","0.0576","0.0407","","","0.1105","0.1216","","","","","","1.033","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152191","11.5434","0.0008","11.2906","0.0008","12.3029","0.0009","90","","107.608","0.002","90","","1528.34","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","2","","Boobalan, Ramalingam; Chen, Chinpiao; Lee, Gene-Hsian","Camphor-based Schiff base ligand SBAIB: an enantioselective catalyst for addition of phenylacetylene to aldehydes.","Organic & biomolecular chemistry","2012","10","8","1625","1638","10.1039/c1ob06683h","","","0.71073","MoKα","","0.0684","0.053","","","0.1313","0.1417","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152192","12.3538","0.0014","11.1227","0.0012","18.446","0.002","90","","91.746","0.001","90","","2533.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 9","3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine","","- C29 H31 O0.47 P Si -","- C29 H31 O0.471 P Si -","- C116 H124 O1.884 P4 Si4 -","4","1","","Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred","Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.","Organic & biomolecular chemistry","2012","10","9","1847","1855","10.1039/c1ob06688a","","","0.71073","MoKα","","0.0474","0.0413","","","0.1099","0.1161","","","","","","1.033","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152193","12.3039","0.0019","11.128","0.0017","18.544","0.003","90","","91.632","0.002","90","","2538","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 10","3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine oxide","","- C29 H31 O P Si -","- C29 H31 O P Si -","- C116 H124 O4 P4 Si4 -","4","1","","Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred","Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.","Organic & biomolecular chemistry","2012","10","9","1847","1855","10.1039/c1ob06688a","","","0.71073","MoKα","","0.0474","0.0374","","","0.0974","0.1052","","","","","","1.039","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152194","9.681","0.003","12.864","0.004","14.899","0.005","90","","90","","90","","1855.5","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Znabet, Anass; Blanken, Sara; Janssen, Elwin; de Kanter, Frans J. J.; Helliwell, Madeleine; Turner, Nicholas J.; Ruijter, Eelco; Orru, Romano V. A.","Stereoselective synthesis of N-aryl proline amides by biotransformation-Ugi-Smiles sequence.","Organic & biomolecular chemistry","2012","10","5","941","944","10.1039/c1ob06699d","","","0.71073","MoKα","","0.0711","0.0592","","","0.0941","0.097","","","","","","1.278","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152195","8.4693","0.0008","19.713","0.003","22.265","0.002","90","","90","","90","","3717.3","0.7","291.15","","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N O2 -","- C22 H33 N O2 -","- C176 H264 N8 O16 -","8","1","","Liu, Xiao-Yu; Cheng, Hang; Li, Xiao-Huan; Chen, Qiao-Hong; Xu, Liang; Wang, Feng-Peng","Oxidative dearomatization/intramolecular Diels-Alder cycloaddition cascade for the syntheses of (±)-atisine and (±)-isoazitine.","Organic & biomolecular chemistry","2012","10","7","1411","1417","10.1039/c1ob06704d","","","1.5418","CuKα","","0.0584","0.0451","","","0.12","0.129","","","","","","1.041","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152196","17.0172","0.0003","8.60512","0.00013","28.3901","0.0005","90","","91.4359","0.0017","90","","4156","0.12","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C208 H208 N16 O8 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","1.54184","CuKα","","0.0457","0.0406","","","0.1118","0.1174","","","","","","1.025","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152197","17.051","0.002","7.5405","0.0006","28.226","0.004","90","","93.201","0.01","90","","3623.4","0.7","220","","220","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0721","0.0667","","0.1015","0.1011","0.1015","","","","","","1.1573","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152198","14.113","0.006","14.919","0.005","19.801","0.005","90","","90","","90","","4169","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C192 H224 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0576","0.0561","","0.1193","0.1189","0.1193","","","","","","0.9975","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152199","6.5535","0.0005","10.9957","0.001","14.1615","0.0013","100.817","0.005","101.782","0.005","99.966","0.004","957.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O3 Si -","- C16 H32 O3 Si -","- C32 H64 O6 Si2 -","2","1","","Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal","Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.","Organic & biomolecular chemistry","2012","10","3","502","505","10.1039/c1ob06776a","","","0.71073","MoKα","","0.0895","0.0499","","","0.1473","0.1825","","","","","","1.085","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152200","39.763","0.009","7.0246","0.0013","19.471","0.004","90","","105.495","0.013","90","","5241","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H34 N2 O8 Si -","- C23 H34 N2 O8 Si -","- C184 H272 N16 O64 Si8 -","8","1","","Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal","Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.","Organic & biomolecular chemistry","2012","10","3","502","505","10.1039/c1ob06776a","","","0.71073","MoKα","","0.1646","0.0619","","","0.1619","0.2201","","","","","","1.027","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152201","10.02411","0.00005","10.34453","0.00006","20.23764","0.00011","90","","90","","90","","2098.54","0.02","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 F3 N2 O5 S -","- C22 H17 F3 N2 O5 S -","- C88 H68 F12 N8 O20 S4 -","4","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0283","0.027","","","0.07","0.0709","","","","","","1.049","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152202","21.382","0.002","21.382","0.002","10.7536","0.001","90","","90","","120","","4257.8","0.7","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C32.33 H42.33 I N2 O2 -","- C23 H21 I N2 O2 -","- C138 H126 I6 N12 O12 -","6","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.16","0.0916","","","0.2924","0.3676","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152203","8.31659","0.00011","20.0565","0.0002","17.4123","0.0002","90","","95.0536","0.0012","90","","2893.11","0.06","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H25 F3 N2 O5 S -","- C34 H25 F3 N2 O5 S -","- C136 H100 F12 N8 O20 S4 -","4","2","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0445","0.0388","","","0.0979","0.1013","","","","","","1.015","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152204","20.657","0.003","18.786","0.003","26.624","0.004","90","","97.992","0.005","90","","10231","3","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H128.5 N20 O50.25 S8 -","- C72 H122 N20 O50.25 S8 -","- C288 H488 N80 O201 S32 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.1042","0.0881","","","0.212","0.2279","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152205","15.129","0.003","12.14","0.002","33.206","0.007","90","","100.51","0.03","90","","5996","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 N10 O24.5 S4 -","- C48 H54 N10 O24.5 S4 -","- C192 H216 N40 O98 S16 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71073","MoKα","","0.1352","0.1116","","","0.2946","0.3058","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152206","14.299","0.0017","20.408","0.002","22.893","0.002","90","","107.014","0.006","90","","6388.1","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H81.5 N12.5 O32 S5 -","- C45 H79.5 N12.5 O32 S5 -","- C180 H318 N50 O128 S20 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.0755","0.0655","","","0.1504","0.1559","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152207","5.7098","0.0009","9.5517","0.0015","14.904","0.002","87.425","0.002","89.606","0.002","82.942","0.002","805.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0592","0.0587","","","0.1544","0.1556","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152208","5.66","0.002","9.583","0.004","15.456","0.006","94.113","0.005","92.683","0.005","96.361","0.005","829.8","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0972","0.0863","","","0.2314","0.2513","","","","","","1.09","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152209","16.4826","0.0006","6.8123","0.0003","9.0139","0.0004","90","","90","","90","","1012.12","0.07","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.039","0.0332","","","0.0847","0.0889","","","","","","1.051","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152210","7.9762","0.0006","8.4759","0.0005","11.3641","0.0009","83.948","0.003","80.632","0.003","73.019","0.002","723.61","0.09","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","1","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.0585","0.0471","","","0.1147","0.1246","","","","","","1.101","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152211","9.648","0.001","14.822","0.002","16.441","0.003","104.68","0.01","103.17","0.01","91.75","0.01","2204.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(rac)-10a,10'a-bis(methylthio)octahydro-1H,1'H-5a,5'a-bidipyrrolo- [1,2-a:1',2'-d]pyrazine-5,5',10,10'(6H,6'H,10aH,10'aH)-tetraone","","- C22 H30.25 N4 O4.125 S2 -","- C22 H30.25 N4 O4.125 S2 -","- C88 H121 N16 O16.5 S8 -","4","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1058","0.0583","","","0.1246","0.1458","","","","","","1.012","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152212","6.43","0.001","11.207","0.002","21.269","0.003","90","","90","","90","","1532.7","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1287","0.0779","","","0.1326","0.1481","","","","","","1.107","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152213","6.4416","0.0006","10.8045","0.0005","24.627","0.002","90","","90","","90","","1714","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dodecahydro-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-6,13(1H,7H)-dione","","- C18 H24 N2 O2 S2 -","- C18 H24 N2 O2 S2 -","- C72 H96 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0454","0.0353","","","0.0712","0.0745","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152214","9.1262","0.0009","9.6454","0.001","11.5103","0.0009","91.426","0.005","101.32","0.006","91.777","0.005","992.52","0.16","123","2","123","2","","","","","","","","5","P 1","P 1","1","","6a,13a-bis(methylthio)hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C20 H30 N2 O2 S2 -","- C20 H30 N2 O2 S2 -","- C40 H60 N4 O4 S4 -","2","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1323","0.1008","","","0.2044","0.2264","","","","","","1.166","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152215","17.1844","0.0013","7.3729","0.0005","10.8107","0.0008","90","","105.732","0.003","90","","1318.39","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5a,10a-bis(methylthio)octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione","","- C12 H18 N2 O2 S2 -","- C12 H18 N2 O2 S2 -","- C48 H72 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0588","0.0481","","","0.0985","0.1049","","","","","","1.138","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152216","11.4283","0.0001","17.1077","0.0002","19.3984","0.0002","90","","92.773","0.001","90","","3788.18","0.07","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,7-bis(benzyloxy)tetrahydro-5a,10a-epidithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione and 2,7-bis(benzyloxy)tetrahydro-5a,10a-epitrithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione in the ration 2.69:0.31","","- C74 H74 Cl6 N6 O12 S6.31 -","- C74 H74 Cl6 N6 O12 S6.309 -","- C148 H148 Cl12 N12 O24 S12.618 -","2","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0833","0.0764","","","0.1791","0.1858","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152217","19.2441","0.001","19.2441","0.001","14.2264","0.0011","90","","90","","90","","5268.5","0.6","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C176 H288 N32 O48 -","16","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","0.71073","MoKα","","0.0613","0.0412","","","0.0915","0.1014","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152218","5.6765","0.0004","10.5601","0.0009","15.2326","0.0011","80.631","0.007","85.199","0.005","75.014","0.005","869.46","0.12","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0424","0.0372","","","0.0902","0.0923","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152219","13.1883","0.0006","6.5039","0.0003","14.5084","0.0007","90","","100.899","0.003","90","","1222.02","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cl3 N3 O4 -","- C20 H30 Cl3 N3 O4 -","- C40 H60 Cl6 N6 O8 -","2","1","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0393","0.033","","","0.0755","0.0773","","","","","","1.006","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152220","9.2865","0.0005","10.1783","0.0005","12.8619","0.0007","86.696","0.002","80.581","0.002","63.553","0.002","1073.65","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H29 N3 O8 -","- C16 H29 N3 O8 -","- C32 H58 N6 O16 -","2","1","","Ji, Cong-Bin; Liu, Yun-Lin; Zhao, Xiao-Li; Guo, Yin-Long; Wang, Hao-Yang; Zhou, Jian","Direct amination of α-substituted nitroacetates using di-tert-butyl azodicarboxylate catalyzed by Hatakeyama's catalyst β-ICD.","Organic & biomolecular chemistry","2012","10","6","1158","1161","10.1039/c2ob06746c","","","0.71073","MoKα","","0.0599","0.039","","","0.0952","0.1107","","","","","","1.027","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152221","9.466","0.002","15.214","0.006","16.716","0.005","64.8","0.03","76.56","0.02","74.57","0.02","2080.1","1.2","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C49 H56 O3 -","- C49 H56 O3 -","- C98 H112 O6 -","2","1","","Yucel, Baris; Sanli, Bahar; Akbulut, Huseyin; Ozbey, Suheyla; Benniston, Andrew C.","Colour-responsive fluorescent oxy radical sensors.","Organic & biomolecular chemistry","2012","10","9","1775","1784","10.1039/c2ob06825g","","x-ray","0.71073","MoKα","","0.2268","0.0806","","","0.2198","0.2864","","","","","","0.999","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152222","8.1332","0.001","12.8039","0.0015","23.181","0.003","86.488","0.002","85.393","0.002","84.635","0.002","2392.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 N2 -","- C30 H36 N2 -","- C120 H144 N8 -","4","2","","Curiel, David; Sánchez, Guzmán; Ramírez de Arellano, Carmen; Tárraga, Alberto; Molina, Pedro","Combined study of anion recognition by a carbazole-based neutral tripodal receptor in a competitive environment.","Organic & biomolecular chemistry","2012","10","9","1896","1904","10.1039/c2ob06868k","","","0.71073","MoKα","","0.1367","0.0861","","","0.14","0.1571","","","","","","1.111","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152223","9.3619","0.0019","10.083","0.002","10.655","0.002","87.11","0.03","82.02","0.03","88.24","0.03","994.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N Si -","- C24 H23 N Si -","- C48 H46 N2 Si2 -","2","1","","Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng","Palladium-catalyzed silyl C(sp(3))-H bond activation.","Organic & biomolecular chemistry","2012","10","8","1537","1542","10.1039/c2ob06941e","","","0.71073","MoKα","","0.1855","0.0664","","","0.1178","0.1398","","","","","","0.996","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152224","13.268","0.003","10.072","0.002","13.822","0.003","90","","91.6","0.03","90","","1846.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N Si -","- C23 H21 N Si -","- C92 H84 N4 Si4 -","4","1","","Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng","Palladium-catalyzed silyl C(sp(3))-H bond activation.","Organic & biomolecular chemistry","2012","10","8","1537","1542","10.1039/c2ob06941e","","","0.71073","MoKα","","0.0965","0.0484","","","0.0865","0.0899","","","","","","1.004","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152225","12.4462","0.0002","13.975","0.0002","16.7998","0.0003","90","","110.205","0.002","90","","2742.27","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl3 N3 O3 -","- C31 H22 Cl3 N3 O3 -","- C124 H88 Cl12 N12 O12 -","4","1","","Yin, Xiao-Gang; Liu, Xin-Yun; Hu, Zhi-Peng; Yan, Ming","Efficient synthesis of multicyclic spirooxindoles via a cascade Michael/Michael/oxa-Michael reaction of curcumins and isatylidene malononitriles.","Organic & biomolecular chemistry","2012","10","8","1506","1509","10.1039/c2ob06995d","","","1.54184","CuKα","","0.0581","0.0447","","","0.115","0.1269","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152226","8.418","0.002","8.861","0.002","9.944","0.002","64.89","0.01","88.07","0.01","71.11","0.01","630.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Bodipati, Naganjaneyulu; Peddinti, Rama Krishna","Chemical generation of o-quinone monoimines for the rapid construction of 1,4-benzoxazine derivatives.","Organic & biomolecular chemistry","2012","10","10","1958","1961","10.1039/c2ob06681e","","","0.71073","MoKα","","0.0504","0.0474","","","0.1258","0.1295","","","","","","1.055","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152227","8.162","0.003","8.55","0.003","12.743","0.005","82.561","0.004","81.071","0.004","72.465","0.004","834.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 B F2 N3 -","- C20 H16 B F2 N3 -","- C40 H32 B2 F4 N6 -","2","1","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.1195","0.1015","","","0.3297","0.3389","","","","","","1.074","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152228","10.0277","0.0007","17.2775","0.0012","11.1652","0.0008","90","","94.161","0.001","90","","1929.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 B F2 N3 -","- C22 H20 B F2 N3 -","- C88 H80 B4 F8 N12 -","4","1","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.0684","0.0463","","","0.1624","0.1858","","","","","","1.08","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152229","36.086","0.017","13.768","0.007","7.995","0.004","90","","95.653","0.006","90","","3953","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O -","- C23 H20 B F2 N3 O -","- C184 H160 B8 F16 N24 O8 -","8","2","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.315","0.2648","","","0.7374","0.7801","","","","","","1.097","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152230","9.481","0.006","12.32","0.008","17.351","0.011","70.679","0.008","80.779","0.009","83.598","0.009","1884","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H21 N3 -","- C22 H21 N3 -","- C88 H84 N12 -","4","2","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.228","0.1705","","","0.5341","0.5599","","","","","","1.085","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152231","11.934","0.002","14.466","0.003","12.536","0.002","90","","110.006","0.005","90","","2033.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Zhang, Xia; Ji, Jingjing; Zhu, Yingguang; Jing, Changcheng; Li, Ming; Hu, Wenhao","A highly diastereoselective three-component tandem 1,4-conjugated addition-cyclization reaction to multisubstituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","10","2133","2138","10.1039/c2ob06760a","","","0.71073","MoKα","","0.0851","0.0605","","","0.149","0.1752","","","","","","1.081","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152232","20.4538","0.0012","25.3853","0.0015","19.2348","0.0012","90","","90.229","0.001","90","","9987.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cl3 F12 P4 -","- C49 H41 Cl3 F12 P4 -","- C392 H328 Cl24 F96 P32 -","8","2","","Das, Priyadip; Kesharwani, Manoj K.; Mandal, Amal K.; Suresh, Eringathodi; Ganguly, Bishwajit; Das, Amitava","An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site().","Organic & biomolecular chemistry","2012","10","11","2263","2271","10.1039/c2ob06815j","","","0.71073","MoKα","","0.209","0.1336","","","0.2789","0.318","","","","","","1.115","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152233","10.0392","0.0008","15.7261","0.0012","16.0211","0.0011","81.667","0.005","82.511","0.005","79.608","0.006","2447.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65.07 H48.13 Cl0.14 O5 -","- C65 H48 Cl0.137 O5 -","- C130 H96 Cl0.274 O10 -","2","1","","Hu, Jian-Yong; Ni, Xin-Long; Feng, Xing; Era, Masanao; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko","Highly emissive hand-shaped π-conjugated alkynylpyrenes: Synthesis, structures, and photophysical properties.","Organic & biomolecular chemistry","2012","10","11","2255","2262","10.1039/c2ob06865f","","","0.7749","synchrotron","","0.1125","0.0723","","","0.1876","0.2097","","","","","","1.035","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152234","14.6967","0.0005","21.036","0.0007","23.8819","0.0009","90","","90","","90","","7383.3","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C66 H100 Ag2 F12 O16 P2 -","- C66 H100 Ag2 F12 O16 P2 -","- C264 H400 Ag8 F48 O64 P8 -","4","0.5","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.0705","0.0503","","","0.1358","0.1526","","","","","","1.029","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152235","12.2817","0.0004","60.688","0.002","13.4217","0.0004","90","","97.516","0.002","90","","9917.9","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H148 Ag D12 F6 O16 P -","- C98 H160 Ag F6 O16 P -","- C392 H640 Ag4 F24 O64 P4 -","4","1","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.1846","0.0976","","","0.2245","0.2794","","","","","","1.019","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152236","8.8875","0.0011","13.7511","0.0017","15.0665","0.0019","64.753","0.002","77.356","0.003","74.412","0.002","1592.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclo-bis-(urea-3,6-dichlorocarbazole)[TBA-acetate]","","- C62 H90 Cl4 N8 O6 -","- C62 H92 Cl4 N8 O6 -","- C62 H92 Cl4 N8 O6 -","1","0.5","","Ahmed, Nisar; Suresh, Vangaru; Shirinfar, Bahareh; Geronimo, Inacrist; Bist, Amita; Hwang, In-Chul; Kim, Kwang S.","Fluorogenic sensing of CH(3)CO(2)(-) and H(2)PO(4)(-) by ditopic receptor through conformational change.","Organic & biomolecular chemistry","2012","10","10","2094","2100","10.1039/c2ob06994f","","","0.71073","MoKα","","0.1184","0.0641","","","0.1584","0.2103","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152237","13.644","0.003","15.163","0.003","16.546","0.004","84.368","0.004","78.777","0.004","72.6","0.004","3201.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclo-bis-(urea-3,6-dichlorocarbazole)2[(n-Bu)4NCl]","","- C58 H86 Cl6 N8 O2 -","- C58 H86 Cl6 N8 O2 -","- C116 H172 Cl12 N16 O4 -","2","1","","Ahmed, Nisar; Suresh, Vangaru; Shirinfar, Bahareh; Geronimo, Inacrist; Bist, Amita; Hwang, In-Chul; Kim, Kwang S.","Fluorogenic sensing of CH(3)CO(2)(-) and H(2)PO(4)(-) by ditopic receptor through conformational change.","Organic & biomolecular chemistry","2012","10","10","2094","2100","10.1039/c2ob06994f","","","0.71073","MoKα","","0.237","0.0773","","","0.1903","0.2824","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152238","16.5754","0.0005","16.5754","0.0005","7.5796","0.0005","90","","90","","120","","1803.45","0.14","100","","100","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","sumanene","sumanene","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Mebs, Stefan; Weber, Manuela; Luger, Peter; Schmidt, Bernd M.; Sakurai, Hidehiro; Higashibayashi, Shuhei; Onogi, Satoru; Lentz, Dieter","Experimental electron density of sumanene, a bowl-shaped fullerene fragment; comparison with the related corannulene hydrocarbon.","Organic & biomolecular chemistry","2012","10","11","2218","2222","10.1039/c2ob07040e","","","0.71073","MoKα","","0.031","0.022","","","","0.046","0.036","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152239","8.4011","0.0007","10.0557","0.0008","13.0329","0.0015","74.541","0.007","78.907","0.007","76.897","0.006","1023.28","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 N2 -","- C24 H30 N2 -","- C48 H60 N4 -","2","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.1402","0.0585","","","0.1212","0.1511","","","","","","0.984","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152240","9.783","0.003","13.775","0.003","12.7176","0.0012","90","","90.574","0.018","90","","1713.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N2 -","- C18 H20 Cl2 N2 -","- C72 H80 Cl8 N8 -","4","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.2083","0.0594","","","0.0937","0.1287","","","","","","0.945","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152241","5.804","0.002","21.72","0.01","6.563","0.004","90","","113.508","0.004","90","","758.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N -","- C9 H11 N -","- C36 H44 N4 -","4","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.1601","0.1174","","","0.3181","0.3582","","","","","","1.061","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152242","7.0214","0.0002","12.5519","0.0005","14.2927","0.0005","93.591","0.002","92.24","0.002","103.988","0.002","1217.98","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn- 1-yl)oxy)(tert-but","(Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn-1-yl)oxy)(tert-butyl)dimethylsilane","","- C26 H33 Br O Si -","- C26 H33 Br O Si -","- C52 H66 Br2 O2 Si2 -","2","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0382","0.0352","","","0.0899","0.0967","","","","","","1.112","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152243","33.7073","0.0006","5.632","0.0001","14.5599","0.0003","90","","97.857","0.001","90","","2738.1","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran","3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran","","- C17 H12 Br F O -","- C17 H12 Br F O -","- C136 H96 Br8 F8 O8 -","8","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0411","0.0342","","","0.0854","0.089","","","","","","1.098","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152244","13.0824","0.0006","5.1563","0.0002","26.5341","0.0012","90","","93.297","0.003","90","","1786.94","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan","3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan","","- C25 H17 F O -","- C25 H17 F O -","- C100 H68 F4 O4 -","4","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0668","0.0384","","","0.0851","0.0962","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152245","10.9716","0.0004","18.7546","0.0006","13.2194","0.0004","90","","101.595","0.003","90","","2664.62","0.15","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","rifampicin 1,1,1-trichloroethane solvate","","","- C47 H64 Cl6 N4 O12 -","- C47 H64 Cl6 N4 O12 -","- C94 H128 Cl12 N8 O24 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0803","0.0538","","","0.1389","0.1652","","","","","","1.052","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152246","13.8494","0.0006","17.4243","0.0007","20.0324","0.0009","90","","90","","90","","4834.1","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate dihydrate","","","- C45 H72 N4 O17 -","- C45 H72 N4 O17 -","- C180 H288 N16 O68 -","4","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0476","0.04","","","0.0948","0.0996","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152247","9.2035","0.0001","20.0206","0.0001","13.8049","0.0001","90","","103.152","0.001","90","","2476.96","0.04","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H68 Cl2 N2 O15 -","- C45 H67.99 Cl2.01 N2 O15 -","- C90 H135.98 Cl4.02 N4 O30 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","1.54184","CuKα","","0.0472","0.0471","","","0.1382","0.1383","","","","","","1.058","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152248","10.0612","0.001","18.1279","0.0019","17.8048","0.0018","90","","98.285","0.003","90","","3213.5","0.6","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C76 H34 Br8 F4 N4 -","- C76 H34 Br8 F4 N4 -","- C152 H68 Br16 F8 N8 -","2","1","","Jiang, Xiu-Zhao; Cai, Chen-Xin; Liu, Jin-Tao; Uno, Hidemitsu","Novel syntheses and properties of meso-tetraaryl-octabromo-tetranaphtho[2,3]porphyrins (Ar(4)Br(8)TNPs).","Organic & biomolecular chemistry","2012","10","15","3110","3115","10.1039/c2ob00041e","","","0.71073","MoKα","","0.0593","0.0474","","","0.1225","0.1317","","","","","","1.033","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152249","10.913","0.002","10.913","0.002","81.73","0.03","90","","90","","120","","8429","4","293","2","293","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H47 O5.5 -","- C360 H564 O66 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","","1.54178","CuKα","","0.0645","0.0504","","","0.1316","0.1504","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152250","10.8602","0.001","10.8602","0.001","81.052","0.01","90","","90","","120","","8278.9","1.5","20","2","20","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H46.73 O5.41 -","- C360 H560.76 O64.92 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","neutron","1.4597","neutron","","0.0879","0.0795","","","0.1934","0.2032","","","","","","1.142","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152251","10.516","0.003","27.593","0.004","21.05","0.003","90","","97.919","0.003","90","","6050","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Val-Val-Ac6c-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-valyl-valyl-methyl ester hemihydrate","","- C50 H90 N8 O11.5 -","- C50 H90 N8 O11.5 -","- C200 H360 N32 O46 -","4","2","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1204","0.0644","","","0.1573","0.1814","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152252","11.312","0.004","19.868","0.006","28.099","0.009","90","","90","","90","","6315","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Ac6c-Val-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-phenylalanyl-valyl-methyl ester","","- C58 H90 N8 O11 -","- C58 H90 N8 O11 -","- C232 H360 N32 O44 -","4","1","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1279","0.0767","","","0.1619","0.1855","","","","","","1.075","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152253","19.837","0.001","15.2026","0.0008","6.3744","0.0004","90","","90","","90","","1922.35","0.18","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0856","0.0677","","","0.1644","0.1735","","","","","","0.943","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152254","8.9913","0.0007","19.6654","0.0014","11.4452","0.0009","90","","103.239","0.004","90","","1969.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0923","0.0667","","","0.1815","0.1973","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152255","12.0752","0.0003","15.397","0.0004","12.4647","0.0003","90","","104.391","0.001","90","","2244.74","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0759","0.0615","","","0.1806","0.2203","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152256","12.5282","0.0008","8.7884","0.0006","18.2013","0.0012","90","","94.582","0.002","90","","1997.6","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0967","0.0613","","","0.1695","0.2108","","","","","","1.373","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152257","10.68181","0.0001","11.93226","0.00015","25.6913","0.0003","90","","93.4477","0.0009","90","","3268.64","0.06","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Pyreneacetyl-diethylglycyl-diethylglycinate para-nitrobenzyl ester","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C148 H156 N12 O24 -","4","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0591","0.0539","","","0.1549","0.1621","","","","","","1.032","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152258","10.0556","0.0002","23.1736","0.0005","11.9038","0.0002","90","","98.01","0.002","90","","2746.81","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Pyreneacetyl-(Deg)5-O-pNO2Bzl","","- C55 H72 N6 O9 -","- C55 H72 N6 O9 -","- C110 H144 N12 O18 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0705","0.0638","","","0.1774","0.188","","","","","","1.032","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152259","11.591","0.0008","12.462","0.0008","15.4573","0.0012","97.958","0.001","107.43","0.001","91.224","0.001","2105.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Pyreneacetyl-(Aib)5-OtBu","","- C42 H55 N5 O7 -","- C42 H55 N5 O7 -","- C84 H110 N10 O14 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0559","0.0537","","","0.1598","0.1638","","","","","","1.031","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152260","14.584","0.002","10.5609","0.0014","15.24","0.002","90","","109.665","0.002","90","","2210.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N7 O2 -","- C24 H24 N7 O2 -","- C96 H96 N28 O8 -","4","1","","Hui, Pramiti; Arif, Khaja Md; Chandrasekar, Rajadurai","Syntheses, optical and intramolecular magnetic properties of mono- and di-radicals based on nitronyl-nitroxide and oxoverdazyl groups appended to 2,6-bispyrazolylpyridine cores.","Organic & biomolecular chemistry","2012","10","12","2439","2446","10.1039/c2ob06875c","","","0.71073","MoKα","","0.1084","0.0651","","","0.1373","0.1542","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152261","9.4536","0.0019","9.3865","0.0019","21.293","0.004","90","","100.03","0.03","90","","1860.6","0.7","112","2","112","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F6 N3 O2 P -","- C19 H16 F6 N3 O2 P -","- C76 H64 F24 N12 O8 P4 -","4","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","Synthesis and photophysical evaluation of a pyridinium 4-amino-1,8-naphthalimide derivative that upon intercalation displays preference for AT-rich double-stranded DNA.","Organic & biomolecular chemistry","2012","10","15","3033","3043","10.1039/c2ob06898b","","","0.71073","MoKα","","0.06","0.0548","","","0.1447","0.1512","","","","","","1.085","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152262","7.1563","0.001","8.3628","0.0012","10.5833","0.0015","90","","98.637","0.002","90","","626.19","0.15","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O7 -","- C11 H19 N O7 -","- C22 H38 N2 O14 -","2","1","","Chiou, Wen-Hua; Chen, Guei-Tang; Kao, Chien-Lun; Gao, Yu-Kai","Syntheses of (-)-pelletierine and (-)-homopipecolic acid.","Organic & biomolecular chemistry","2012","10","13","2518","2520","10.1039/c2ob06984a","","x-ray","0.71073","MoKα","","0.0353","0.0344","","","0.0965","0.0981","","","","","","1.063","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152263","11.257","0.002","5.2096","0.0009","22.234","0.004","90","","104.886","0.008","90","","1260.1","0.4","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan","Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.","Organic & biomolecular chemistry","2012","10","14","2742","2752","10.1039/c2ob06991a","","x-ray","0.71073","MoKα","","0.0903","0.0611","","","0.1506","0.2047","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152264","7.2317","0.0019","8.138","0.002","9.5","0.003","108.982","0.004","90.709","0.004","90.925","0.005","528.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C24 H24 O4 S2 -","2","1","","Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan","Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.","Organic & biomolecular chemistry","2012","10","14","2742","2752","10.1039/c2ob06991a","","","0.71073","MoKα","","0.1034","0.068","","","0.1494","0.2205","","","","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152265","19.0051","0.0004","11.4052","0.0002","15.91","0.0003","90","","109.528","0.001","90","","3250.23","0.11","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C136 H168 N8 O24 S8 -","8","2","","O'Brien, Matthew; Leach, Andrew; Armstrong, Roly J.; Chong, Keting; Sheridan, Ross","Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control.","Organic & biomolecular chemistry","2012","10","12","2392","2394","10.1039/c2ob07008a","","","0.71073","MoKα","","0.0955","0.0513","","","0.1013","0.1166","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152266","13.5209","0.0009","16.5318","0.0012","41.077","0.003","90","","90","","90","","9181.7","1.1","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C55 H43 Cl2 N2 O2 P S -","- C55 H43 Cl2 N2 O2 P S -","- C440 H344 Cl16 N16 O16 P8 S8 -","8","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.065","0.0472","","","0.0976","0.1032","","","","","","0.909","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152267","12.249","0.004","5.5446","0.0019","16.208","0.006","90","","104.895","0.004","90","","1063.8","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br2 F2 N2 O2 -","- C22 H16 Br2 F2 N2 O2 -","- C44 H32 Br4 F4 N4 O4 -","2","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.0677","0.0519","","","0.1386","0.1486","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152268","10.0579","0.0008","40.788","0.003","10.7646","0.0009","90","","101.688","0.004","90","","4324.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H88 Cl6 N16 O11 -","- C90 H88 Cl6 N16 O11 -","- C180 H176 Cl12 N32 O22 -","2","0.5","","Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.","Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.","Organic & biomolecular chemistry","2012","10","14","2824","2829","10.1039/c2ob07025a","","","0.71073","MoKα","","0.0795","0.0488","","","0.0988","0.111","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152269","17.58","0.002","39.483","0.005","11.7189","0.0015","90","","130.147","0.004","90","","6217.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H37.5 Br2 N4 O4 -","- C26 H37.5 Br2 N4 O4 -","- C208 H300 Br16 N32 O32 -","8","1","","Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.","Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.","Organic & biomolecular chemistry","2012","10","14","2824","2829","10.1039/c2ob07025a","","","0.71073","MoKα","","0.1115","0.0628","","","0.178","0.2041","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152270","3.7806","0.0001","24.0853","0.0008","11.7506","0.0004","90","","97.413","0.002","90","","1061.03","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0631","0.0568","","","0.1375","0.1405","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152271","7.0872","0.0002","17.7874","0.0005","25.4096","0.0006","90","","91.485","0.001","90","","3202.13","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","2","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0951","0.0546","","","0.1094","0.1237","","","","","","1.031","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152272","18.4597","0.0018","7.1537","0.0007","11.0986","0.0012","90","","98.355","0.006","90","","1450.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","0.5","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0492","0.0419","","","0.1267","0.1332","","","","","","1.099","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152273","9.2174","0.0003","19.7268","0.0007","10.0151","0.0003","90","","110.322","0.002","90","","1707.69","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C80 H76 Br4 N8 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0556","0.0335","","","0.0724","0.0781","","","","","","1.077","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152274","11.4766","0.0008","3.8102","0.0002","25.7302","0.0016","90","","94.941","0.004","90","","1120.95","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl N O -","- C14 H8 Cl N O -","- C56 H32 Cl4 N4 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0532","0.0364","","","0.0936","0.0991","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152275","8.6083","0.0006","26.5181","0.0019","7.4938","0.0006","90","","98.838","0.004","90","","1690.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N2 O1.5 -","- C22 H19 N2 O1.5 -","- C88 H76 N8 O6 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0779","0.0475","","","0.1177","0.1286","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152276","9.987","0.0004","10.6502","0.0004","11.9022","0.0005","94.557","0.002","114.488","0.002","93.883","0.002","1141.35","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cl N3 O2 -","- C27 H24 Cl N3 O2 -","- C54 H48 Cl2 N6 O4 -","2","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0757","0.0437","","","0.1074","0.116","","","","","","1.043","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152277","8.0156","0.0002","8.4956","0.0004","19.4087","0.001","90","","90","","90","","1321.68","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0825","0.0693","","","0.1803","0.194","","","","","","1.153","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152278","8.3229","0.0004","11.3609","0.0005","11.8761","0.0003","90","","90","","90","","1122.95","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0442","0.0375","","","0.0911","0.0948","","","","","","1.071","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152279","7.2735","0.0003","9.0784","0.0002","21.1524","0.0008","90","","90","","90","","1396.73","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.053","0.0457","","","0.1216","0.1291","","","","","","1.068","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152280","8.553","0.002","13.788","0.004","20.858","0.008","88.838","0.014","86.545","0.014","73.382","0.012","2352.7","1.3","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H50 B2 Cl3 F4 N7 O4 -","- C51 H50 B2 Cl3 F4 N7 O4 -","- C102 H100 B4 Cl6 F8 N14 O8 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.0926","0.0649","","","0.1725","0.1949","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152281","8.341","0.003","12.445","0.006","20.303","0.008","79.279","0.015","85.683","0.013","80.571","0.015","2040.6","1.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H49 B Cl F6 N5 O2 -","- C45 H49 B Cl F6 N5 O2 -","- C90 H98 B2 Cl2 F12 N10 O4 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1019","0.0662","","","0.1902","0.2129","","","","","","1.109","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152282","11.092","0.004","11.957","0.004","19.33","0.006","77.243","0.01","82.685","0.013","63.623","0.012","2238.8","1.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H57 B Cl3 F2 N5 O2 -","- C48 H57 B Cl3 F2 N5 O2 -","- C96 H114 B2 Cl6 F4 N10 O4 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1207","0.0721","","","0.1711","0.1972","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152283","15.754","0.005","17.148","0.007","17.17","0.005","116.501","0.012","108.051","0.01","91.068","0.014","3879","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H100 B2 Cl N7 O4 -","- C90 H103 B2 Cl N7 O4 -","- C180 H206 B4 Cl2 N14 O8 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1546","0.0778","","","0.2066","0.2435","","","","","","1.012","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152284","5.7575","0.0003","10.4335","0.0005","14.3548","0.0007","74.944","0.001","84.193","0.001","77.533","0.001","812.14","0.07","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Vervisch, Karel; D'hooghe, Matthias; Törnroos, Karl W; De Kimpe, Norbert","Radical-mediated nitrile translocation as the key step in the stereoselective transformation of 2-(4-chloro-2-cyanobutyl)aziridines to methyl cis-(1-arylmethyl-4-phenylpiperidin-2-yl)acetates.","Organic & biomolecular chemistry","2012","10","16","3308","3314","10.1039/c2ob07062f","","","0.71073","MoKα","","0.0516","0.0458","","","0.1246","0.1293","","","","","","1.05","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152285","9.5044","0.0003","11.9561","0.0004","17.0346","0.0006","103.13","0.001","91.678","0.001","105.355","0.001","1809.58","0.11","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N6 O11 Zn2 -","- C33 H38 N6 O11 Zn2 -","- C66 H76 N12 O22 Zn4 -","2","1","","Mistri, Tarun; Dolai, Malay; Chakraborty, Debrup; Khuda-Bukhsh, Anisur Rahman; Das, Kalyan Kumar; Ali, Mahammad","A highly selective and sensitive in vivo fluorosensor for zinc(ii) without cytotoxicity.","Organic & biomolecular chemistry","2012","10","12","2380","2384","10.1039/c2ob07084g","","","0.71073","MoKα","","0.0399","0.0306","","","0.0936","0.1096","","","","","","0.563","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152286","6.64749","0.00014","13.2825","0.0003","33.3205","0.0007","90","","90","","90","","2942.04","0.11","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br2 N2 O9 -","- C29 H26 Br2 N2 O9 -","- C116 H104 Br8 N8 O36 -","4","1","","Komatsu, Yoshiyuki; Watanabe, Riki; Ikishima, Hideaki; Nakano, Keiji; Ichikawa, Yoshiyasu; Kotsuki, Hiyoshizo","Aminohydroxyacetone synthons: versatile intermediates for the organocatalytic asymmetric aldol reaction.","Organic & biomolecular chemistry","2012","10","15","2993","3001","10.1039/c2ob07107j","","","1.54187","CuKα","","","0.0592","","","","0.0723","","","","","","5.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152287","24.115","0.003","10.4602","0.0011","15.5022","0.0017","90","","95.746","0.002","90","","3890.7","0.8","133","2","133","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Li, Ende; Yao, Wenjun; Xie, Xin; Wang, Chengyu; Shao, Yushang; Li, Yanzhong","Gold-catalyzed efficient synthesis of 2,4-disubstituted furans from aryloxy-enynes.","Organic & biomolecular chemistry","2012","10","15","2960","2965","10.1039/c2ob07173h","","","0.71073","MoKα","","0.0453","0.0373","","","0.1052","0.1127","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152288","9.225","0.002","12.144","0.003","14.886","0.004","74.73","0.01","78.29","0.02","83.99","0.04","1573","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","p-nitrophenyl-amino-ethylene-amido-rhodamine","","","- C36 H39 N5 O4 -","- C36 H39 N5 O4 -","- C72 H78 N10 O8 -","2","1","","Bag, Bamaprasad; Biswal, Biswonath","Alteration of selectivity in rhodamine based probes for Fe(iii) and Hg(ii) ion induced dual mode signalling responses.","Organic & biomolecular chemistry","2012","10","14","2733","2738","10.1039/c2ob07182g","","","0.71073","MoKα","","0.0811","0.0578","","","0.1632","0.1844","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152289","13.4805","0.0004","20.3239","0.0006","24.982","0.0007","90","","90","","90","","6844.5","0.3","203","","203","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C105 H152 F18 N8 O43 Pd4 S6 Sm2 -","- C105 H144 F18 N8 O43 Pd4 S6 Sm2 -","- C210 H288 F36 N16 O86 Pd8 S12 Sm4 -","2","0.5","","Zhang, Guoqi","A heterotrimetallic Pd-Sm-Pd complex for asymmetric Friedel-Crafts alkylations of pyrroles with nitroalkenes.","Organic & biomolecular chemistry","2012","10","13","2534","2536","10.1039/c2ob25074h","","","0.71073","MoKα","","0.0973","0.0553","","0.0739","0.0549","0.0549","","","","","","1.0093","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152290","12.556","0.002","14.418","0.003","13.45","0.002","90","","101.806","0.003","90","","2383.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F2 O3 -","- C13 H14 F2 O3 -","- C104 H112 F16 O24 -","8","2","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0894","0.0574","","","0.1198","0.1317","","","","","","1.055","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152291","10.052","0.002","7.8441","0.0018","17.153","0.004","90","","106.959","0.003","90","","1293.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F2 O3 -","- C13 H16 F2 O3 -","- C52 H64 F8 O12 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0994","0.0622","","","0.133","0.1463","","","","","","1.086","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152292","7.046","0.003","16.235","0.007","24.642","0.011","90","","90","","90","","2819","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 F2 O3 -","- C14 H18 F2 O3 -","- C112 H144 F16 O24 -","8","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0712","0.0498","","","0.1087","0.1184","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152293","7.953","0.003","20.19","0.008","9.179","0.004","90","","93.291","0.009","90","","1471.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 F2 O3 -","- C15 H20 F2 O3 -","- C60 H80 F8 O12 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.2035","0.0886","","","0.1417","0.1847","","","","","","0.846","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152294","8.402","0.003","9.71","0.004","19.088","0.007","90","","90","","90","","1557.3","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F2 N O2 -","- C18 H19 F2 N O2 -","- C72 H76 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0692","0.0512","","","0.0862","0.0919","","","","","","0.912","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152295","8.8405","0.0017","9.7476","0.0019","19.684","0.004","90","","90","","90","","1696.2","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F2 N O2 -","- C19 H21 F2 N O2 -","- C76 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0603","0.0497","","","0.0995","0.1055","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152296","8.5802","0.0018","9.972","0.002","19.406","0.004","90","","90","","90","","1660.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F2 N O2 -","- C20 H21 F2 N O2 -","- C80 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0477","0.0421","","","0.0954","0.0981","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152297","10.9353","0.0015","12.0352","0.0017","12.4875","0.0017","73.716","0.001","67.727","0.001","83.617","0.001","1459.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Br N O3 -","- C37 H32 Br N O3 -","- C74 H64 Br2 N2 O6 -","2","1","","Kogiso, Toshitaka; Yamamoto, Kosuke; Suemune, Hiroshi; Usui, Kazuteru","Synthesis and characterization of 1,8-naphthalimide with [6]helicene skeleton.","Organic & biomolecular chemistry","2012","10","15","2934","2936","10.1039/c2ob25223f","","","0.71073","MoKα","","0.0527","0.0506","","","0.1526","0.1542","","","","","","1.067","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152298","10.8355","0.0004","12.6814","0.0005","24.4115","0.0008","90","","94.018","0.002","90","","3346.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N3 O4 S2 -","- C36.006 H41.015 N3 O4 S2 -","- C144.024 H164.06 N12 O16 S8 -","4","1","","Namitharan, Kayambu; Pitchumani, Kasi","Cascade synthesis of bis-N-sulfonylcyclobutenes via Cu(i)/Lewis acid-catalyzed (3 + 2)/(2 + 2) cycloadditions: observation of aggregation-induced emission enhancement from restricted C[double bond, length as m-dash]N photoisomerization.","Organic & biomolecular chemistry","2012","10","15","2937","2941","10.1039/c2ob25226k","","","0.71073","MoKα","","0.0834","0.0456","","","0.1247","0.1574","","","","","","1.023","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152299","7.298","0.0015","13.566","0.003","17.045","0.003","90","","90","","90","","1687.5","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mijangos, Marco V.; González-Marrero, Joaquin; Miranda, Luis D.; Vincent-Ruz, Paulette; Lujan-Montelongo, Armando; Olivera-Díaz, Diana; Bautista, Elhiu; Ortega, Alfredo; de la Luz Campos-González, María; Gamez-Montaño, Rocio","Microwave-assisted C-3 selective oxidative radical alkylation of flavones.","Organic & biomolecular chemistry","2012","10","15","2946","2949","10.1039/c2ob25249j","","","0.71073","MoKα","","0.1069","0.051","","","0.0969","0.1156","","","","","","1","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152300","8.107","0.0011","12.105","0.0016","11.6138","0.0016","90","","101.055","0.002","90","","1118.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O6 -","- C22 H26 Br N O6 -","- C44 H52 Br2 N2 O12 -","2","1","","Xiao, Hua; Chai, Zhuo; Cao, Dongdong; Wang, Hongyu; Chen, Jinghao; Zhao, Gang","Highly enantioselective [4 + 2] cycloadditions of allenoates and dual activated olefins catalyzed by N-acyl aminophosphines.","Organic & biomolecular chemistry","2012","10","16","3195","3201","10.1039/c2ob25295c","","","0.71073","MoKα","","0.0745","0.0553","","","0.1301","0.1386","","","","","","0.92","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152301","7.366","0.0004","9.0252","0.0005","10.1518","0.0005","84.572","0.002","88.905","0.002","89.911","0.002","671.74","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C34 H26 N2 O6 -","2","1","","Zhou, Feng; Ding, Miao; Zhou, Jian","A catalytic metal-free Ritter reaction to 3-substituted 3-aminooxindoles.","Organic & biomolecular chemistry","2012","10","16","3178","3181","10.1039/c2ob25319d","","","0.71073","MoKα","","0.0554","0.0453","","","0.129","0.1378","","","","","","1.093","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152302","8.4697","0.0001","10.1103","0.0001","13.868","0.0001","90","","90","","90","","1187.53","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C40 H68 N4 O24 -","4","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0226","0.0224","","0.0608","0.0607","0.0608","","","","","","0.9946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152303","9.7787","0.0004","10.1274","0.0003","9.7756","0.0003","90","","108.505","0.004","90","","918.05","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C36 H46 N2 O14 -","2","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0438","0.0371","","0.091","0.0865","0.091","","","","","","0.9889","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152304","7.0008","0.0002","9.0561","0.0002","24.0388","0.0005","90","","90","","90","","1524.06","0.06","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C64 H80 O32 -","8","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.0536","0.0363","","0.102","0.0972","0.102","","","","","","1.0222","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152305","7.5","0.0003","6.0089","0.0002","17.9334","0.0007","90","","94.8761","0.0015","90","","805.28","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.061","0.0484","","0.167","0.1581","0.167","","","","","","1.2426","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152306","10.7984","0.0002","14.414","0.0003","18.7238","0.0003","90","","104.773","0.0019","90","","2817.98","0.09","243","","243","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 -","- C34 H40 N2 -","- C136 H160 N8 -","4","1","","Mitkina, Tatiana; Stanglmair, Christoph; Setzer, Wolfgang; Gruber, Michael; Kisch, Horst; König, Burkhard","Visible light mediated homo- and heterocoupling of benzyl alcohols and benzyl amines on polycrystalline cadmium sulfide.","Organic & biomolecular chemistry","2012","10","17","3556","3561","10.1039/c2ob07053g","","x-ray","1.54184","CuKα","","0.061","0.0535","","","0.1576","0.1659","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152307","8.3183","0.0002","25.3594","0.0006","10.8216","0.0002","90","","90.076","0.002","90","","2282.78","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O5 -","- C30 H24 O5 -","- C120 H96 O20 -","4","1","","Zhu, Shugao; Wu, Luling; Huang, Xian","Palladium(0)-catalyzed cyclization of 1,6-diyn-3-yl carbonates with a nucleophilic functionality: efficient synthesis of polycyclic benzo[b]fluorene derivatives via allene intermediates.","Organic & biomolecular chemistry","2012","10","18","3696","3704","10.1039/c2ob07148g","","","0.71073","MoKα","","0.0555","0.0407","","","0.0976","0.1083","","","","","","0.878","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152308","15.678","0.0006","9.3043","0.0006","30.2382","0.0013","90","","104.663","0.002","90","","4267.3","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C208 H176 N16 O48 -","8","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0503","0.0412","","","0.1113","0.1188","","","","","","1.032","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152309","5.1915","0.0001","12.1482","0.0003","20.353","0.0004","90","","91.797","0.001","90","","1282.98","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.056","0.0381","","","0.0858","0.0938","","","","","","1.043","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152310","9.2089","0.0002","15.1611","0.0004","12.0162","0.0002","90","","124.926","0.001","90","","1375.51","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0537","0.0445","","","0.1219","0.1286","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152311","13.2402","0.0004","8.7479","0.0002","19.2827","0.0005","90","","123.821","0.002","90","","1855.46","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0884","0.0586","","","0.1126","0.124","","","","","","1.067","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152312","9.0404","0.0002","9.9839","0.0003","10.8814","0.0003","90.88","0.001","103.859","0.001","111.082","0.001","884.12","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C44 H54 N2 O6 -","2","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0535","0.0457","","","0.1241","0.1299","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152313","15.562","0.006","10.686","0.004","15.625","0.006","90","","90","","90","","2598.4","1.7","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","Propionyl-(5,5'6,6'-Tetramethyl-3,3'-di-tert-butyl-1,1-biphenyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl propionate","","- C27 H37 O4 P -","- C27 H37 O4 P -","- C108 H148 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1454","0.0919","","","0.2162","0.2483","","","","","","0.996","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152314","10.82","0.007","16.178","0.01","15.982","0.01","90","","98.366","0.017","90","","2768","3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylacetyl-(5,5',6,6'-tetramethyl-3,3'-di-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate","","- C32 H39 O4 P -","- C32 H39 O4 P -","- C128 H156 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.2445","0.1477","","","0.3207","0.3668","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152315","10.232","0.003","12.846","0.004","13.644","0.002","78.15","0.02","68.93","0.02","86.69","0.02","1637.6","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","Phenylacetyl(3,3',5,5'-Tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite","2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate","","- C36 H47 O4 P -","- C36 H47 O4 P -","- C72 H94 O8 P2 -","2","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1038","0.0789","","","0.2018","0.2238","","","","","","1.066","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152316","16.1185","0.0006","5.7251","0.0002","24.3065","0.0009","90","","106.365","0.004","90","","2152.13","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 I O Se -","- C25 H21 I O Se -","- C100 H84 I4 O4 Se4 -","4","1","","Xu, Jianfeng; Zhu, Shugao; Wu, Luling; Huang, Xian","Chemoselective synthesis of highly substituted 1,2-allenyl ketones, furans, and 2-alkynyl ketones from reaction of lithium selenolates with 1-(1-alkynyl)cyclopropyl ketones and electrophiles.","Organic & biomolecular chemistry","2012","10","18","3705","3714","10.1039/c2ob25071c","","","0.71073","MoKα","","0.0564","0.0368","","","0.0816","0.0921","","","","","","1.039","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152317","8.7411","0.0002","10.8404","0.0002","11.3321","0.0002","94.6197","0.001","106.901","0.0011","91.5749","0.0012","1022.62","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N S2 -","- C24 H8 N S2 -","- C48 H16 N2 S4 -","2","1","","Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.","Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.","Organic & biomolecular chemistry","2012","10","17","3455","3462","10.1039/c2ob25087j","","","0.71073","MoKα","","0.0717","0.0692","","","0.1981","0.2003","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152318","10.9704","0.0004","12.7453","0.0004","15.4994","0.0006","108.851","0.002","97.4139","0.0018","100.602","0.002","1974.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 N3 O4 S2 -","- C44 H39 N3 O4 S2 -","- C88 H78 N6 O8 S4 -","2","1","","Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.","Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.","Organic & biomolecular chemistry","2012","10","17","3455","3462","10.1039/c2ob25087j","","","0.71073","MoKα","","0.0779","0.0564","","","0.1501","0.1643","","","","","","1.041","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152319","6.8238","0.0002","11.0492","0.0003","16.3885","0.0004","90","","100.76","0.002","90","","1213.93","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","","Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.","Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers","Organic & Biomolecular Chemistry","2012","10","20","4069","","10.1039/c2ob25090j","","","0.71073","MoKα","","0.057","0.0393","","","0.1017","0.1062","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152320","17.021","0.0005","11.994","0.001","13.456","0.0005","90","","113.283","0.004","90","","2523.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C128 H96 O48 -","8","2","","Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.","Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers","Organic & Biomolecular Chemistry","2012","10","20","4069","","10.1039/c2ob25090j","","","0.71077","synchrotron","","0.3714","0.266","","","0.5261","0.5693","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152321","4.2571","0.0007","14.425","0.002","23.481","0.004","90","","90","","90","","1441.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Sun, Zhong-Xin; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade annulation reaction of o-vinylarylaldehydes with nitrosoarenes: one-step assembly of functionalized 2,3-benzoxazin-4-ones","Organic & Biomolecular Chemistry","2012","10","20","4088","","10.1039/c2ob25137j","","","0.71073","MoKα","","0.0521","0.044","","","0.1157","0.1209","","","","","","1.084","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152322","10.3319","0.0004","21.2699","0.0008","9.3647","0.0004","90","","120.648","0.002","90","","1770.5","0.13","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 I N O -","- C18 H20 I N O -","- C72 H80 I4 N4 O4 -","4","1","","Huang, Jing-Mei; Ye, Zhi-Jun; Chen, Dong-Song; Zhu, Hong","Iodine mediated/Brønsted acid-catalyzed dimerization of vinylarenes: a tandem reaction through Ritter trapping to produce N-(4-iodo-1,3-diarylbutyl) acetamides.","Organic & biomolecular chemistry","2012","10","18","3610","3612","10.1039/c2ob25142f","","","0.71073","MoKα","","0.0368","0.0339","","","0.0975","0.1084","","","","","","1.156","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152323","19.7487","0.0016","9.7599","0.0008","18.467","0.0012","90","","90","","90","","3559.4","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C176 H144 N16 O8 -","8","2","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.1286","0.0554","","","0.0918","0.1178","","","","","","1.04","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152324","10.9862","0.0009","19.4309","0.0013","9.9118","0.0009","90","","115.173","0.01","90","","1914.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.062","0.0371","","","0.0962","0.1026","","","","","","1.068","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152325","10","0.0007","11.073","0.0007","10.832","0.002","90","","109.495","0.01","90","","1130.7","0.2","110","2","110","2","","","","","","","see text","7","P 1 21 1","P 2yb","4","CMN103F2","(2S,4S,5R)-3,4-Dimethyl-2-(α-(SFc)-trimethylsylanylferrocenyl)-5- phenyl-[1,3,2]oxazaphospholidine-2-oxide","","- C23 H30 Fe N O2 P Si -","- C23 H30 Fe N O2 P Si -","- C46 H60 Fe2 N2 O4 P2 Si2 -","2","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0383","0.0353","","","0.0727","0.0739","","","","","","1.054","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152326","12.0764","0.0012","13.3216","0.0013","17.3013","0.0016","90","","90","","90","","2783.4","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CHN130FM","","","- C32 H31 Fe N O2 P2 -","- C32 H31 Fe N O2 P2 -","- C128 H124 Fe4 N4 O8 P8 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0381","0.0321","","","0.072","0.0738","","","","","","0.98","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152327","10.1623","0.0009","12.0052","0.001","14.5445","0.0013","90","","90","","90","","1774.4","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CMN82ff","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0242","0.0232","","","0.0568","0.057","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152328","5.817","0.0003","12.8442","0.0007","23.6728","0.0013","90","","90","","90","","1768.71","0.16","180","2","180","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0334","0.0301","","","0.0711","0.0726","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152329","7.6377","0.0003","7.8225","0.0003","32.1299","0.001","93.748","0.002","91.221","0.002","109.094","0.002","1808.28","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","2","","Bennett, Nicholas J.; Elliott, Mark C.; Hewitt, Natalie L.; Kariuki, Benson M.; Morton, Clare A.; Raw, Steven A.; Tomasi, Simone","Diastereoselective alkylation reactions of 1-methylcyclohexa-2,5-diene-1-carboxylic acid","Organic & Biomolecular Chemistry","2012","10","19","3859","","10.1039/c2ob25211b","","","0.71073","MoKα","","0.105","0.0706","","","0.1381","0.1588","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152330","42.526","0.008","15.758","0.003","16.686","0.003","90","","90","","90","","11182","4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H78 Cl2 O10 -","- C59 H78 Cl2 O10 -","- C472 H624 Cl16 O80 -","8","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1516","0.1193","","","0.2971","0.3259","","","","","","1.096","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152331","21.897","0.004","21.54","0.004","25.2","0.005","90","","98.28","0.004","90","","11762","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C119 H198 Cl2 O10 -","- C119 H198 Cl2 O10 -","- C476 H792 Cl8 O40 -","4","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.2188","0.1394","","","0.3347","0.3894","","","","","","1.508","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152332","12.2219","0.0011","14.486","0.0013","21.9366","0.0019","89.672","0.002","89.514","0.002","76.132","0.001","3770.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H118 F2 O10 -","- C79 H118 F2 O10 -","- C158 H236 F4 O20 -","2","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1521","0.0911","","","0.2284","0.2913","","","","","","1.031","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152333","15.136","0.002","24.59","0.004","24.775","0.004","61.226","0.002","81.302","0.002","74.159","0.002","7773","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H118 I2 O10 -","- C79 H118 I2 O10 -","- C316 H472 I8 O40 -","4","2","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.2447","0.197","","","0.494","0.5428","","","","","","2.082","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152334","7.5614","0.0005","11.1691","0.0007","20.0521","0.0013","90","","90","","90","","1693.48","0.19","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br N2 O4 S -","- C16 H15 Br N2 O4 S -","- C64 H60 Br4 N8 O16 S4 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0484","0.0348","","","0.0726","0.0764","","","","","","0.954","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152335","7.4711","0.0007","11.1765","0.001","19.4619","0.0017","90","","90","","90","","1625.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br N2 O4 S2 -","- C14 H13 Br N2 O4 S2 -","- C56 H52 Br4 N8 O16 S8 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0292","0.0269","","","0.0646","0.0656","","","","","","0.833","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152336","6.5782","0.0004","8.7302","0.0005","21.2398","0.0012","90","","90","","90","","1219.78","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O6 -","- C14 H15 N O6 -","- C56 H60 N4 O24 -","4","1","","Ahmad, Sajjad; Swift, Michael D.; Farrugia, Louis J.; Senn, Hans Martin; Sutherland, Andrew","Stereoselective synthesis of functionalised carbocyclic amides: construction of the syn-(4aS,10bS)-phenanthridone skeleton","Organic & Biomolecular Chemistry","2012","10","19","3937","","10.1039/c2ob25334h","","x-ray","0.71073","MoKα","","0.0372","0.0334","","","0.0839","0.0857","","","","","","1.083","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152337","9.5048","0.0003","18.9754","0.0006","19.2401","0.0007","90","","90","","90","","3470.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H20 N4 O6 S -","- C34 N O10 S -","- C136 N4 O40 S4 -","4","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0804","0.0714","","","0.1969","0.2074","","","","","","1.393","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152338","10.6718","0.0005","11.6816","0.0006","14.2167","0.0007","90","","111.935","0.001","90","","1644.01","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O9 S -","- C33 H41 N O9 S -","- C66 H82 N2 O18 S2 -","2","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0296","0.0268","","","0.0666","0.0686","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152339","11.7222","0.0014","10.3371","0.0013","12.2852","0.0016","90","","98.752","0.002","90","","1471.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0844","0.0546","","","0.1018","0.1144","","","","","","1.053","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152340","7.7625","0.0013","10.6733","0.0018","17.788","0.003","90","","97.621","0.002","90","","1460.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.1024","0.0521","","","0.1144","0.1402","","","","","","1.017","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152341","9.4618","0.0012","11.8536","0.0015","12.1246","0.0015","117.873","0.002","91.857","0.002","110.815","0.002","1090.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C46 H54 N2 O14 S2 -","2","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0453","0.0365","","","0.1045","0.1118","","","","","","1.05","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152342","15.273","0.002","14.335","0.002","9.1567","0.0013","90","","90.0282","0.0021","90","","2004.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0481","0.0367","","","0.0948","0.102","","","","","","1.024","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152343","9.1092","0.0018","10.189","0.002","20.517","0.004","90","","90","","90","","1904.3","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.043","0.0352","","","0.0924","0.1176","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152344","9.1436","0.0018","19.925","0.004","10.386","0.002","90","","100.85","0.03","90","","1858.4","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.0403","0.0357","","","0.0948","0.0988","","","","","","1.071","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152345","11.486","0.0017","7.4766","0.0011","20.639","0.003","90","","95.97","0.003","90","","1762.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br N O3 S -","- C18 H18 Br N O3 S -","- C72 H72 Br4 N4 O12 S4 -","4","1","","Zhang, Di-Han; Du, Kang; Shi, Min","Gold(i)-catalyzed intramolecular hydroamination and ring-opening of sulfonamide-substituted 2-(arylmethylene)cyclopropylcarbinols.","Organic & biomolecular chemistry","2012","10","18","3763","3766","10.1039/c2ob25512j","","","0.71073","MoKα","","0.0912","0.0579","","","0.1295","0.1423","","","","","","1.092","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152346","9.7862","0.0003","11.6935","0.0004","18.199","0.0009","90","","97.545","0.001","90","","2064.57","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","0.71073","MoKα","","0.0833","0.0609","","","0.1372","0.1539","","","","","","1.062","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152347","8.9831","0.0001","11.8982","0.0001","13.1146","0.0001","106.512","0.001","109.88","0.001","101.331","0.001","1195.17","0.03","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C54 H64 N4 O12 -","2","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","1.54178","CuKα","","0.0579","0.0492","","","0.1358","0.1456","","","","","","1.012","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152348","8.8685","0.0002","11.1349","0.0002","14.0791","0.0003","94.026","0.001","96.563","0.001","109.563","0.001","1292.7","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C62 H72 N4 O12 -","2","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","0.71073","MoKα","","0.0725","0.0603","","","0.1447","0.1574","","","","","","1.023","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152349","7.3012","0.0002","9.1671","0.0002","21.9003","0.0004","90","","90","","90","","1465.81","0.06","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O3 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Tchabanenko, Kirill; Sloan, Colleen; Bunetel, Yves-Mael; Mullen, Philip","Diastereoselective 1,3-dipolar cycloaddition of pyrylium ylides with chiral enamides.","Organic & biomolecular chemistry","2012","10","21","4215","4219","10.1039/c2ob07007c","","","0.71073","MOKα","","0.0633","0.055","","","0.1589","0.1669","","","","","","1.247","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152350","18.687","0.005","8.149","0.005","18.235","0.005","90","0.005","115.58","0.005","90","0.005","2504.7","1.8","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","azetidine","","","- C27 H33 N O2 S Si -","- C27 H33 N O2 S Si -","- C108 H132 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0623","0.0521","","","0.1137","0.1231","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152351","11.241","0.005","13.09","0.005","19.226","0.005","90","0.005","90","0.005","90","0.005","2829","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","trans allyl azetidine","","","- C30 H37 N O2 S Si -","- C30 H37 N O2 S Si -","- C120 H148 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0408","0.0381","","","0.0941","0.0967","","","","","","0.935","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152352","10.1607","0.0007","13.0737","0.001","22.9043","0.0017","90","","90","","90","","3042.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","benzyl pyrrolidine","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0432","0.0389","","","0.0914","0.0944","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152353","10.158","0.005","13.071","0.005","22.898","0.005","90","0.005","90","0.005","90","0.005","3040","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0744","0.0545","","","0.1093","0.1213","","","","","","1.01","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152354","9.969","0.005","10.025","0.005","29.109","0.005","90","0.005","90","0.005","90","0.005","2909","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","4-flurophenylpyrrolidine","","","- C33 H36 F N O2 S Si -","- C33 H36 F N O2 S Si -","- C132 H144 F4 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0607","0.0474","","","0.1039","0.1125","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152355","13.4861","0.0014","8.3629","0.0009","14.9897","0.0016","90","","110.252","0.002","90","","1586.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","sulfoxide","","","- C35 H41 N O3 S Si -","- C35 H41 N O3 S Si -","- C70 H82 N2 O6 S2 Si2 -","2","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0549","0.0462","","","0.103","0.1103","","","","","","1.026","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152356","8.458","0.005","36.758","0.005","9.963","0.005","90","0.005","90.409","0.005","90","0.005","3097","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","REUT","","","- C34 H38 F N O3 S Si -","- C34 H38 F N O3 S Si -","- C136 H152 F4 N4 O12 S4 Si4 -","4","2","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.093","0.0643","","","0.1459","0.187","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152357","16.8073","0.0004","9.1044","0.0002","23.0328","0.0005","90","","131.716","0.001","90","","2630.86","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N2 O3 S Si2 -","- C24 H32 N2 O3 S Si2 -","- C96 H128 N8 O12 S4 Si8 -","4","1","","Zhang, Bao; Wee, Andrew G. H.","Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.","Organic & biomolecular chemistry","2012","10","23","4597","4608","10.1039/c2ob25103e","","","0.71073","MoKα","","0.0543","0.0403","","","0.0938","0.1019","","","","","","1.053","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152358","9.0478","0.0009","18.6125","0.0018","14.1521","0.0014","90","","96.359","0.001","90","","2368.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N2 O4 S Si2 -","- C20 H32 N2 O4 S Si2 -","- C80 H128 N8 O16 S4 Si8 -","4","1","","Zhang, Bao; Wee, Andrew G. H.","Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.","Organic & biomolecular chemistry","2012","10","23","4597","4608","10.1039/c2ob25103e","","","0.71073","MoKα","","0.0479","0.0403","","","0.1086","0.1152","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152359","6.9084","0.0019","14.098","0.004","14.21","0.004","90","","90","","90","","1384","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","1","","Li, Wenyi; Liu, Xiaodong; Mao, Zhifeng; Chen, Qiao; Wang, Rui","New approach to the preparation of bicyclo octane derivatives via the enantioselective cascade reaction catalyzed by chiral diamine-Ni(OAc)(2) complex.","Organic & biomolecular chemistry","2012","10","24","4767","4773","10.1039/c2ob25135c","","","0.71073","MoKα","","0.056","0.0368","","","0.0675","0.0727","","","","","","0.982","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152360","9.7923","0.0014","8.0377","0.0011","14.52","0.002","90","","93.817","0.002","90","","1140.3","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O -","- C13 H18 N O -","- C52 H72 N4 O4 -","4","1","","Hsieh, Min-Tsang; Shia, Kak-Shan; Liu, Hsing-Jang; Kuo, Sheng-Chu","Palladium(ii) acetate mediated oxidative cyclization of ω-unsaturated α-cyano ketones for facile construction of methylenecyclohexane ring system.","Organic & biomolecular chemistry","2012","10","23","4609","4617","10.1039/c2ob25161b","","","0.71073","MoKα","","0.0699","0.0575","","","0.1757","0.1905","","","","","","1.095","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152361","13.1764","0.0014","7.0909","0.0007","19.046","0.002","90","","92.154","0.003","90","","1778.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Hsieh, Min-Tsang; Shia, Kak-Shan; Liu, Hsing-Jang; Kuo, Sheng-Chu","Palladium(ii) acetate mediated oxidative cyclization of ω-unsaturated α-cyano ketones for facile construction of methylenecyclohexane ring system.","Organic & biomolecular chemistry","2012","10","23","4609","4617","10.1039/c2ob25161b","","","0.71073","MoKα","","0.131","0.0583","","","0.1055","0.1289","","","","","","0.908","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152362","14.605","0.004","6.1389","0.0017","20.396","0.005","90","","91.627","0.018","90","","1827.9","0.8","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C92 H76 N12 O12 -","4","1","","Maurya, Hardesh K.; Gautam, Sanjay K.; Pratap, Ramendra; Tandon, Vishnu K.; Kumar, Abhinav; Bajpai, Vikas; Kumar, Brijesh; Ram, Vishnu Ji","Sequential approach to the synthesis of 'U and Z' shaped polycyclic heteroarenes.","Organic & biomolecular chemistry","2012","10","25","4977","4986","10.1039/c2ob25173f","","","0.71073","MoKα","","0.0654","0.0398","","","0.0901","0.1022","","","","","","1.004","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152363","27.9648","0.0013","9.851","0.0006","34.664","0.0017","90","","101.179","0.004","90","","9368.1","0.9","140","1","140","1","","","","","","","","3","A 1 2/a 1","-A 2ya","15","cone-3","","","- C57 H66 O6 -","- C57 H66 O6 -","- C456 H528 O48 -","8","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0872","0.0772","","","0.1336","0.1385","","","","","","1.243","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152364","11.6724","0.0011","14.7955","0.0009","16.7566","0.0018","97.92","0.007","98.124","0.008","105.744","0.007","2709.8","0.4","293","1","293","1","","","","","","","","4","P -1","-P 1","2","cone-5","","","- C54 H87 N3 O6 -","- C54 H87 N3 O6 -","- C108 H174 N6 O12 -","2","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0759","0.0554","","","0.1463","0.1567","","","","","","1.061","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152365","11.1369","0.0019","18.913","0.003","4.0311","0.0007","90","","90","","90","","849.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Amino-2,8-dimethyl-6<i>H</i>-pyrimido[1,2-<i>a</i>][1,3,5]triazin-6-one","","- C8 H9 N5 O -","- C8 H9 N5 O -","- C32 H36 N20 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0588","0.0527","","","0.1137","0.1169","","","","","","1.145","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152366","9.1448","0.0013","6.7638","0.001","22.369","0.003","90","","94.61","0.003","90","","1379.1","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N5 O4 -","- C10 H19 N5 O4 -","- C40 H76 N20 O16 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0611","0.053","","","0.1473","0.1559","","","","","","1.079","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152367","7.4179","0.0009","11.2238","0.0015","17.288","0.002","90","","90","","90","","1439.3","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 O -","- C14 H20 N6 O -","- C56 H80 N24 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0519","0.0478","","","0.1168","0.1193","","","","","","1.061","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152368","8.5632","0.0003","11.8122","0.0004","10.9084","0.0004","90","","91.69","0.001","90","","1102.91","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 B N2 O6 -","- C20 H29 B N2 O6 -","- C40 H58 B2 N4 O12 -","2","1","","Martínez-Castro, Elisa; González-Benjumea, Alejandro; López, Oscar; Maya, Inés; Alvarez, Eleuterio; Fernández-Bolaños, José G","Intramolecular cyclization of alkoxyaminosugars: access to novel glycosidase inhibitor families.","Organic & biomolecular chemistry","2012","10","21","4220","4228","10.1039/c2ob25213a","","","0.71073","MoKα","","0.0368","0.0339","","","0.0863","0.0889","","","","","","1.033","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152369","29.5615","0.001","12.2972","0.0003","10.5852","0.0004","90","","110.902","0.004","90","","3594.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl2 N2 O3 -","- C19 H16 Cl2 N2 O3 -","- C152 H128 Cl16 N16 O24 -","8","1","","Harding, Sarah L.; Savage, G. Paul","Facial selectivity induced by N-aryl atropisomerism in benzonitrile oxide cycloadditions with 4-methylene-2-oxazolidinones.","Organic & biomolecular chemistry","2012","10","24","4759","4766","10.1039/c2ob25271f","","","0.71073","MoKα","","0.0515","0.0385","","","0.0915","0.1002","","","","","","1.027","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152370","9.9538","0.0003","14.0904","0.0004","9.3597","0.0003","90","","105.647","0.003","90","","1264.08","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Harding, Sarah L.; Savage, G. Paul","Facial selectivity induced by N-aryl atropisomerism in benzonitrile oxide cycloadditions with 4-methylene-2-oxazolidinones.","Organic & biomolecular chemistry","2012","10","24","4759","4766","10.1039/c2ob25271f","","","0.71073","MoKα","","0.0574","0.0447","","","0.1184","0.128","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152371","9.3763","0.0007","11.1992","0.0009","13.5473","0.0011","90","","107.455","0.002","90","","1357.06","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 Pd Sn -","- C8 H12 Cl4 Pd Sn -","- C32 H48 Cl16 Pd4 Sn4 -","4","1","","Das, Debjit; Pratihar, Sanjay; Roy, Ujjal Kanti; Mal, Dipakranjan; Roy, Sujit","First example of a heterobimetallic 'Pd-Sn' catalyst for direct activation of alcohol: efficient allylation, benzylation and propargylation of arenes, heteroarenes, active methylenes and allyl-Si nucleophiles.","Organic & biomolecular chemistry","2012","10","23","4537","4542","10.1039/c2ob25275a","","","0.71073","MoKα","","0.0348","0.0251","","","0.0542","0.0574","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7152372","25.2489","0.0006","15.9776","0.0003","7.6958","0.0001","90","","90","","90","","3104.62","0.1","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C29 H46 O5 Si2 -","- C29 H46 O5 Si2 -","- C116 H184 O20 Si8 -","4","1","","Dubois, Sébastien; Rodier, Fabien; Blanc, Romain; Rahmani, Raphaël; Héran, Virginie; Thibonnet, Jérôme; Commeiras, Laurent; Parrain, Jean-Luc","Dramatic influence of the substitution of alkylidene-5H-furan-2-ones in Diels-Alder cycloadditions with o-quinonedimethide as diene partner: en route to the CDEF polycyclic ring system of lactonamycin.","Organic & biomolecular chemistry","2012","10","24","4712","4719","10.1039/c2ob25299f","","x-ray","0.71073","MoKα","","0.0765","0.054","","","0.1436","0.1683","","","","","","1.183","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152373","8.569","0.0002","8.7336","0.0002","11.8798","0.0003","81.646","0.001","85.931","0.001","88.264","0.002","877.23","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N O5 P -","- C19 H18 N O5 P -","- C38 H36 N2 O10 P2 -","2","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0498","0.0408","","","0.0982","0.1037","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152374","22.2526","0.0005","7.0132","0.0002","25.1963","0.0006","90","","106.297","0.002","90","","3774.19","0.17","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 N O5 P -","- C23 H20 N O5 P -","- C184 H160 N8 O40 P8 -","8","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0747","0.054","","","0.1035","0.1142","","","","","","1.092","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152375","12.4096","0.0003","9.6934","0.0002","27.4755","0.0007","90","","92.943","0.001","90","","3300.7","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl2 N O5 P -","- C15 H14 Cl2 N O5 P -","- C120 H112 Cl16 N8 O40 P8 -","8","2","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0838","0.0648","","","0.1204","0.1298","","","","","","1.144","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152376","3.7524","0.0007","12.666","0.003","21.009","0.004","90","","90","","90","","998.5","0.4","120","2","120","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C11 H5 Cl2 N O2 -","- C11 H5 Cl2 N O2 -","- C44 H20 Cl8 N4 O8 -","4","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0983","0.0842","","","0.2141","0.226","","","","","","1.078","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152377","10.344","0.004","13.082","0.005","14.935","0.006","85.488","0.009","83.72","0.008","80.284","0.009","1976.3","1.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 N4 O Si -","- C50 H44 N4 O Si -","- C100 H88 N8 O2 Si2 -","2","1","","Toganoh, Motoki; Yamamoto, Takaaki; Hihara, Takayoshi; Akimaru, Hisanori; Furuta, Hiroyuki","Regulation of NH-tautomerism in N-confused porphyrin by N-alkylation.","Organic & biomolecular chemistry","2012","10","22","4367","4374","10.1039/c2ob25351h","","","0.71069","MoKα","","0.1429","0.062","","","0.1426","0.1653","","","","","","0.854","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152378","10.881","0.004","12.396","0.005","14.261","0.006","84.614","0.014","73.106","0.011","74.751","0.013","1775.4","1.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 Cl2 N4 -","- C46 H34 Cl2 N4 -","- C92 H68 Cl4 N8 -","2","1","","Toganoh, Motoki; Yamamoto, Takaaki; Hihara, Takayoshi; Akimaru, Hisanori; Furuta, Hiroyuki","Regulation of NH-tautomerism in N-confused porphyrin by N-alkylation.","Organic & biomolecular chemistry","2012","10","22","4367","4374","10.1039/c2ob25351h","","","0.71075","MoKα","","0.0806","0.0696","","","0.1837","0.1934","","","","","","1.065","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152379","9.315","0.003","10.631","0.004","15.819","0.005","90","","90","","90","","1566.5","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br N2 O3 -","- C17 H13 Br N2 O3 -","- C68 H52 Br4 N8 O12 -","4","1","","Jia, Yang; Yang, Wen; Du, Da-Ming","Asymmetric Friedel-Crafts alkylation of indoles with 3-nitro-2H-chromenes catalyzed by diphenylamine-linked bis(oxazoline) and bis(thiazoline) Zn(II) complexes.","Organic & biomolecular chemistry","2012","10","24","4739","4746","10.1039/c2ob25360g","","","0.71073","MoKα","","0.0481","0.0291","","","0.0367","0.0377","","","","","","0.988","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7152380","7.106","0.003","14.861","0.003","11.691","0.003","90","","101.499","0.016","90","","1209.8","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Defaut, Benedicte; Parsons, Thomas B.; Spencer, Neil; Male, Louise; Kariuki, Benson M.; Grainger, Richard S.","Synthesis of the trans-hydrindane core of dictyoxetane.","Organic & biomolecular chemistry","2012","10","25","4926","4932","10.1039/c2ob25384d","","","1.54178","CuKα","","0.0735","0.0497","","","0.1273","0.1473","","","","","","1.068","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152381","10.0589","0.0001","10.5323","0.0001","12.3056","0.0001","90","","100.646","0.001","90","","1281.26","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 S -","- C13 H18 O4 S -","- C52 H72 O16 S4 -","4","1","","Defaut, Benedicte; Parsons, Thomas B.; Spencer, Neil; Male, Louise; Kariuki, Benson M.; Grainger, Richard S.","Synthesis of the trans-hydrindane core of dictyoxetane.","Organic & biomolecular chemistry","2012","10","25","4926","4932","10.1039/c2ob25384d","","","1.54178","CuKα","","0.0314","0.0306","","","0.0849","0.0857","","","","","","1.018","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152382","7.4247","0.0007","9.3395","0.0009","16.7423","0.0015","90","","90","","90","","1160.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","0.7107","MoKα","","0.0342","0.0327","","","0.0823","0.0833","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152383","10.8043","0.0004","5.7743","0.0002","14.0245","0.0005","90","","110.062","0.0018","90","","821.86","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","1.54187","CuKα","","","0.0341","","","","0.0902","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152384","11.0257","0.0006","7.5583","0.0004","14.7907","0.0009","90","","95.487","0.004","90","","1226.94","0.12","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H46 O2 -","- C27 H46 O2 -","- C54 H92 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1005","0.0442","","","0.0837","0.0967","","","","","","0.829","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152385","11.658","0.003","6.105","0.002","17.568","0.005","90","","106.1","0.02","90","","1201.3","0.6","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H44 O2 -","- C27 H44 O2 -","- C54 H88 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1092","0.0534","","","0.085","0.0957","","","","","","0.922","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152386","19.497","0.002","5.5899","0.0007","16.139","0.002","90","","106.361","0.003","90","","1687.7","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Shiva Kumar, K.; Rambabu, D.; Prasad, Bagineni; Mujahid, Mohammad; Krishna, G. Rama; Basaveswara Rao, M. V.; Malla Reddy, C.; Vanaja, G. R.; Kalle, Arunasree M.; Pal, Manojit","A new approach to construct a fused 2-ylidene chromene ring: highly regioselective synthesis of novel chromeno quinoxalines.","Organic & biomolecular chemistry","2012","10","24","4774","4781","10.1039/c2ob25416f","","","0.71073","MoKα","","0.0936","0.0579","","","0.1549","0.1905","","","","","","1.042","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152387","22.232","0.018","10.636","0.007","17.824","0.014","90","","133.986","0.007","90","","3032","4","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N4 -","- C41 H32 N4 -","- C164 H128 N16 -","4","0.5","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.1551","0.1049","","","0.1825","0.2078","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152388","8.513","0.002","23.17","0.006","11.837","0.003","90","","103.189","0.003","90","","2273.2","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl2 N2 O -","- C28 H22 Cl2 N2 O -","- C112 H88 Cl8 N8 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0637","0.0587","","","0.1159","0.1189","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152389","25.97","0.02","4.887","0.004","11.168","0.009","90","","90","","90","","1417","2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0532","0.0522","","","0.114","0.1145","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152390","5.5779","0.0005","10.4276","0.001","31.686","0.003","90","","90","","90","","1843","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O5 S -","- C18 H22 O5 S -","- C72 H88 O20 S4 -","4","1","","Pei, Cheng-Kui; Jiang, Yu; Shi, Min","Synthesis of optically active dihydropyrans from asymmetric [4 + 2] cycloaddition of β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","22","4355","4361","10.1039/c2ob25475a","","","0.71073","MoKα","","0.0495","0.0447","","","0.1151","0.1188","","","","","","1.075","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152391","13.71","0.005","13.748","0.005","11.855","0.005","90","0.005","100.854","0.005","90","0.005","2194.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C104 H100 N12 O8 -","4","1","","Lin, Shaoxia; Wei, Ying; Liang, Fushun; Zhao, Baozhong; Liu, Yanling; Liu, Pengjun","Multi-component anion relay cascade of 1-acetylcyclopropanecarboxamides, aldehydes and acrylonitrile: access to biscyanoethylated furo[3,2-c]pyridinones.","Organic & biomolecular chemistry","2012","10","23","4571","4576","10.1039/c2ob25550b","","","0.71073","MoKα","","0.1189","0.0454","","","0.0933","0.0993","","","","","","0.858","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152392","4.1304","0.0002","12.9948","0.0005","21.5358","0.0009","90","","90","","90","","1155.91","0.09","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0235","0.0228","","","0.0498","0.0502","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152393","7.8011","0.0019","9.106","0.002","15.558","0.004","90","","90","","90","","1105.2","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 c n","P -2n 2a","33","","","","- C8 H4 Cl I2 N3 -","- C8 H4 Cl I2 N3 -","- C32 H16 Cl4 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0182","0.0178","","","0.0386","0.0388","","","","","","1.048","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152394","4.3176","0.0003","13.3505","0.001","15.2661","0.0012","90","","90","","90","","879.97","0.11","150","2","150","2","","","","","","","synthesis as described","4","P c 21 n","P -2n -2ac","33","","","","- C8 H6 I N3 -","- C8 H6 I N3 -","- C32 H24 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0228","0.0183","","","0.0398","0.0419","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152395","4.2056","0.0005","13.2551","0.0018","17.169","0.002","90","","90","","90","","957.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C8 H5 Cl I N3 -","- C8 H5 Cl I N3 -","- C32 H20 Cl4 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0196","0.0183","","","0.0418","0.0424","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152396","10.3473","0.0015","7.1028","0.0008","15.555","0.002","90","","104.138","0.006","90","","1108.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I2 N3 -","- C9 H7 I2 N3 -","- C36 H28 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0282","0.0249","","","0.0588","0.0603","","","","","","1.134","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152397","7.7817","0.0006","10.5301","0.0008","14.2726","0.0011","79.833","0.004","89.092","0.004","80.124","0.004","1133.98","0.15","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","2","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.049","0.0374","","","0.0895","0.0968","","","","","","1.032","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152398","10.8653","0.0004","7.707","0.0002","13.2464","0.0005","90","","93.5294","0.0018","90","","1107.13","0.07","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cl I2 N3 -","- C8 H4 Cl I2 N3 -","- C32 H16 Cl4 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0243","0.0224","","","0.056","0.0567","","","","","","1.277","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152399","7.993","0.002","14.366","0.004","8.736","0.002","90","","94.686","0.013","90","","999.8","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 I N3 -","- C9 H8 I N3 -","- C36 H32 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0373","0.0337","","","0.0783","0.0799","","","","","","1.095","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152400","5.3015","0.0002","12.8502","0.0005","25.7032","0.0009","90","","90","","90","","1751.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-fluorophenyl)-5-(4-methylbenzyl)-3-phenyl-1H-pyrazole","","- C23 H19 F N2 -","- C23 H19 F N2 -","- C92 H76 F4 N8 -","4","1","","Borkin, Dmitry A.; Puscau, Mirela; Carlson, Alena; Solan, Agnes; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Synthesis of diversely 1,3,5-trisubstituted pyrazoles via 5-exo-dig cyclization.","Organic & biomolecular chemistry","2012","10","23","4505","4508","10.1039/c2ob25580d","","","1.54178","CuKα","","0.0398","0.0333","","","0.0767","0.0799","","","","","","1.041","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152401","7.5034","0.0002","12.2919","0.0004","13.0178","0.0004","90","","90","","90","","1200.65","0.06","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SAW694 IC-1","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54178","CuKα","","0.0338","0.0302","","","0.0734","0.076","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152402","5.97836","0.00004","12.6707","0.00007","15.76352","0.00009","90","","90","","90","","1194.09","0.012","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54184","CuKα","","0.0264","0.0262","","","0.0723","0.0726","","","","","","1.049","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152403","5.6867","0.0002","10.1514","0.0004","22.3376","0.0009","85.717","0.002","83.067","0.002","84.035","0.002","1270.62","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 Cl3 O4 -","- C11 H9 Cl3 O4 -","- C44 H36 Cl12 O16 -","4","2","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0728","0.0436","","","0.0908","0.103","","","","","","1.032","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152404","9.0784","0.0008","9.583","0.0007","9.3296","0.0009","90","","104.683","0.004","90","","785.15","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C28 H48 O16 -","2","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0512","0.0393","","","0.0961","0.1047","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152405","10.0094","0.0011","12.121","0.001","12.9524","0.0012","90","","90","","90","","1571.4","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C56 H96 O32 -","4","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0552","0.0389","","","0.0923","0.0991","","","","","","1.078","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152406","8.7884","0.0005","9.8407","0.0004","17.4343","0.001","79.265","0.003","85.517","0.004","66.444","0.003","1357.94","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","2","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.1091","0.0505","","","0.1171","0.1428","","","","","","0.998","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152407","7.8579","0.0009","10.1629","0.0011","11.0489","0.0012","90","","90.616","0.004","90","","882.3","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","0.71073","MoKα","","0.054","0.0486","","","0.131","0.1358","","","","","","1.051","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152408","6.6246","0.0001","16.0121","0.0002","16.5233","0.0002","90","","90","","90","","1752.69","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","1.54178","CuKα","","0.0339","0.0335","","","0.0948","0.0952","","","","","","1.086","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152409","10.19","0.0009","11.952","0.0011","14.064","0.0013","83.637","0.002","82.432","0.001","68.667","0.001","1577.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 Br Cl N7 O4 -","- C29 H29 Br Cl N7 O4 -","- C58 H58 Br2 Cl2 N14 O8 -","2","1","","Li, Jing; Yu, Yan; Tu, Man-Su; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","New domino heteroannulation of enaminones: synthesis of diverse fused naphthyridines.","Organic & biomolecular chemistry","2012","10","28","5361","5365","10.1039/c2ob25349f","","","0.71073","MoKα","","0.2931","0.1395","","","0.3371","0.4255","","","","","","1.039","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152410","13.63","0.0005","10.2681","0.0003","22.3237","0.0006","90","","119.548","0.002","90","","2717.96","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N P2 S -","- C30 H33 N P2 S -","- C120 H132 N4 P8 S4 -","4","1","","El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando","Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.","Organic & biomolecular chemistry","2012","10","29","5647","5658","10.1039/c2ob25395j","","","0.71073","MoKα","","0.0443","0.0423","","","0.108","0.1095","","","","","","1.027","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152411","10.6237","0.0001","16.3773","0.0002","15.8989","0.0002","90","","125.406","0.001","90","","2254.65","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N P S Sn -","- C21 H32 N P S Sn -","- C84 H128 N4 P4 S4 Sn4 -","4","1","","El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando","Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.","Organic & biomolecular chemistry","2012","10","29","5647","5658","10.1039/c2ob25395j","","","1.54184","CuKα","","0.0301","0.0272","","","0.0686","0.0708","","","","","","1.045","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152412","5.7182","0.0003","12.0175","0.0007","30.1828","0.0017","90","","90","","90","","2074.1","0.2","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl2 N2 O2 -","- C20 H30 Cl2 N2 O2 -","- C80 H120 Cl8 N8 O8 -","4","1","","Ortiz, Adrian; Young, Ian S.; Sawyer, James R.; Hsiao, Yi; Singh, Amarjit; Sugiyama, Masano; Corbett, R. Michael; Chau, Melissa; Shi, Zhongping; Conlon, David A.","Synthetic approaches to a chiral 4-amino-3-hydroxy piperidine with pharmaceutical relevance.","Organic & biomolecular chemistry","2012","10","27","5253","5257","10.1039/c2ob25411e","","","1.54178","CuKα","","0.0402","0.0372","","","0.0966","0.0979","","","","","","1.101","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152413","7.5722","0.0004","9.8018","0.0005","10.6602","0.0005","75.7436","0.0014","72.7353","0.0014","80.784","0.0013","729.05","0.06","123","","123","","","","101","","","","4,4-dimethylpyrrolidine-3-carboxylic acid","5","P 1","P 1","1","N-nosyl 4,4-dimethylpyrrolidine-3-carboxylic acid","(S)-N-(2-nitrophenylsulphonyl)-4,4-dimethylpyrrolidine-3-carboxylic acid","","- C13 H16 N2 O6 S -","- C13 H16 N2 O6 S -","- C26 H32 N4 O12 S2 -","2","2","","Yoshida, Masanori; Masaki, Erika; Ikehara, Hiroto; Hara, Shoji","Enantioselective synthesis of gabapentin analogues via organocatalytic asymmetric Michael addition of α-branched aldehydes to β-nitroacrylates.","Organic & biomolecular chemistry","2012","10","27","5289","5297","10.1039/c2ob25413a","","x-ray","0.71075","MoKa","","","0.044","","","","0.1235","","","","","","1.09","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152414","7.6251","0.0004","10.1757","0.0005","12.2433","0.0006","104.314","0.001","91.763","0.001","100.041","0.001","903.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N12 O S2 -","- C20 H21 N6 O0.5 S -","- C40 H42 N12 O S2 -","2","1","","Adepu, Raju; Rambabu, D.; Prasad, Bagineni; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rama Krishna, G.; Malla Reddy, C.; Chennuru, Lakshmi N.; Parsa, Kishore V. L.; Pal, Manojit","Novel thieno[2,3-d]pyrimidines: their design, synthesis, crystal structure analysis and pharmacological evaluation.","Organic & biomolecular chemistry","2012","10","29","5554","5569","10.1039/c2ob25420d","","","0.71073","MoKα","","0.0527","0.0429","","","0.1316","0.1426","","","","","","0.998","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152415","11.092","0.005","11.448","0.005","15.672","0.007","89.924","0.008","89.583","0.009","62.283","0.007","1761.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N3 O3 S -","- C19 H19 N3 O3 S -","- C76 H76 N12 O12 S4 -","4","2","","Adepu, Raju; Rambabu, D.; Prasad, Bagineni; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rama Krishna, G.; Malla Reddy, C.; Chennuru, Lakshmi N.; Parsa, Kishore V. L.; Pal, Manojit","Novel thieno[2,3-d]pyrimidines: their design, synthesis, crystal structure analysis and pharmacological evaluation.","Organic & biomolecular chemistry","2012","10","29","5554","5569","10.1039/c2ob25420d","","","0.71073","MoKα","","0.1761","0.138","","","0.3287","0.3472","","","","","","1.92","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152416","14.266","0.008","13.805","0.004","12.483","0.003","73.773","0.014","69.52","0.03","71.78","0.03","2147.3","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H58 O11 -","- C46 H58 O11 -","- C92 H116 O22 -","2","1","","Galli, Marzia; Berrocal, José Augusto; Di Stefano, Stefano; Cacciapaglia, Roberta; Mandolini, Luigi; Baldini, Laura; Casnati, Alessandro; Ugozzoli, Franco","Highly efficient intramolecular Cannizzaro reaction between 1,3-distal formyl groups at the upper rim of a cone-calix[4]arene.","Organic & biomolecular chemistry","2012","10","26","5109","5112","10.1039/c2ob25458a","","","1.54178","CuKα","","0.1216","0.0894","","","0.2518","0.2914","","","","","","1.065","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152417","56.216","0.011","4.9368","0.001","15.39","0.003","90","","101.42","0.03","90","","4186.6","1.5","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H31 O6.5 -","- C21 H31 O6.5 -","- C168 H248 O52 -","8","2","","Zhang, Fan; Ding, Gang; Li, Li; Cai, Xiaoyue; Si, Yikang; Guo, Liangdong; Che, Yongsheng","Isolation, antimicrobial activity, and absolute configuration of the furylidene tetronic acid core of pestalotic acids A-G.","Organic & biomolecular chemistry","2012","10","27","5307","5314","10.1039/c2ob25469g","","","0.71073","MoKα","","0.1076","0.0853","","","0.1754","0.1886","","","","","","1.169","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152418","12.535","0.004","14.086","0.005","16.533","0.006","95.902","0.014","105.791","0.013","91.983","0.013","2788.2","1.7","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C51 H57 N15 O11 S3 -","- C51 H57 N15 O11 S3 -","- C102 H114 N30 O22 S6 -","2","1","","Aldrey, Anxela; Macías, Alejandro; Bastida, Rufina; Zaragoza, Guillermo; Rama, Gustavo; López, Miguel Vázquez","A chemosensor for dihydrogenphosphate based on an oxoazamacrocycle possessing three thiourea arms.","Organic & biomolecular chemistry","2012","10","28","5379","5384","10.1039/c2ob25498k","","x-ray","0.7107","MoKα","","0.1516","0.1011","","","0.2647","0.2891","","","","","","0.997","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152419","10.6022","0.0007","13.4737","0.001","18.5141","0.0014","79.826","0.004","84.575","0.004","89.938","0.004","2591.2","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C49 H51 F3 N12 O10 S3 -","- C49 H51 F3 N12 O10 S3 -","- C98 H102 F6 N24 O20 S6 -","2","1","","Aldrey, Anxela; Macías, Alejandro; Bastida, Rufina; Zaragoza, Guillermo; Rama, Gustavo; López, Miguel Vázquez","A chemosensor for dihydrogenphosphate based on an oxoazamacrocycle possessing three thiourea arms.","Organic & biomolecular chemistry","2012","10","28","5379","5384","10.1039/c2ob25498k","","x-ray","0.7107","MoKα","","0.1072","0.0568","","","0.1172","0.1416","","","","","","1.029","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152420","11.308","0.0009","11.3298","0.0009","15.5036","0.0008","76.884","0.003","88.093","0.002","85.182","0.002","1927.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H45 N O2 P2 -","- C47.5 H45 N O2 P2 -","- C95 H90 N2 O4 P4 -","2","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.0495","0.0376","","","0.114","0.1211","","","","","","1.18","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152421","10.231","0.003","14.736","0.004","20.826","0.005","90","","102.29","0.004","90","","3067.9","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 N O2 P2 -","- C35 H37 N O2 P2 -","- C140 H148 N4 O8 P8 -","4","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.0694","0.0427","","","0.106","0.116","","","","","","0.962","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152422","10.726","0.001","19.139","0.002","19.555","0.002","90","","96.13","0.006","90","","3991.4","0.7","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 O1.5 P4 -","- C48 H44 O1.5 P4 -","- C192 H176 O6 P16 -","4","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.2242","0.0517","","","0.0586","0.0836","","","","","","0.696","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152423","10.185","0.002","10.3","0.002","15.865","0.004","72.942","0.002","82.792","0.002","67.62","0.002","1471.1","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Dipolar cycloaddition reactions of 1-alkyl-1,2-diphospholes","","- C37 H32 P2 -","- C37 H32 P2 -","- C74 H64 P4 -","2","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","x-ray","0.71073","MoKα","","0.0598","0.0464","","","0.1397","0.1536","","","","","","0.873","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152424","25.7271","0.0018","5.6497","0.0004","13.2772","0.0009","90","","112.41","0.001","90","","1784.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Williams, D Bradley G; Simelane, Sandile B.; Kinfe, Henok H.","Aluminium triflate catalysed O-glycosidation: temperature-switched selective Ferrier rearrangement or direct addition with alcohols.","Organic & biomolecular chemistry","2012","10","29","5636","5642","10.1039/c2ob25540e","","","0.71073","MoKα","","0.0299","0.0291","","","0.0782","0.0794","","","","","","1.024","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152425","5.771","0.0011","10.93","0.002","28.102","0.006","90","","90","","90","","1772.6","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Ramachary, Dhevalapally B.; Mondal, Rumpa; Madhavachary, R.","Direct catalytic asymmetric synthesis of highly functionalized (2-ethynylphenyl)alcohols via Barbas-List aldol reaction: scope and synthetic applications.","Organic & biomolecular chemistry","2012","10","26","5094","5101","10.1039/c2ob25563d","","","0.71073","MoKα","","0.0668","0.0556","","","0.1239","0.1295","","","","","","1.116","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152426","9.26806","0.00016","13.0043","0.0002","16.2697","0.0002","90","","90","","90","","1960.9","0.05","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Br N4 O3 -","- C22 H15 Br N4 O3 -","- C88 H60 Br4 N16 O12 -","4","1","","Wei, Wen-Tao; Chen, Chun-Xia; Lu, Rui-Jiong; Wang, Jin-Jia; Zhang, Xue-Jing; Yan, Ming","Enantioselective synthesis of 3,3'-dihydropyrryl-spirooxindoles via an organocatalytic three-component reaction.","Organic & biomolecular chemistry","2012","10","27","5245","5252","10.1039/c2ob25629k","","","1.5418","CuKα","","0.0312","0.0272","","","0.0694","0.0853","","","","","","1.125","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152427","19.3107","0.0004","17.019","0.0004","23.1391","0.0004","90","","93.5198","0.001","90","","7590.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H82 N2 S2 Si4 -","- C68 H82 N2 S2 Si4 -","- C272 H328 N8 S8 Si16 -","4","1","","Maeda, Chihiro; Yoshioka, Naoki","Peripherally ethynylated carbazole-based core-modified porphyrins.","Organic & biomolecular chemistry","2012","10","27","5182","5185","10.1039/c2ob25645b","","","1.54187","CuKα","","0.1199","0.0991","","","0.2981","0.3224","","","","","","1.15","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7152428","8.1931","0.0002","11.5561","0.0003","13.5965","0.0004","65.465","0.001","89.457","0.001","70.356","0.001","1090.13","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2RS,3RS,5RS)-4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3,4,5-tetrohydro-2,5- epoxy-1,4-benzoxazepine-3-carboxylate","","- C25 H22 Br N O5 -","- C25 H22 Br N O5 -","- C50 H44 Br2 N2 O10 -","2","1","","Kadina, Anastasia P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pérez, Pedro J; Yufit, Dmitry S.","Intramolecular cycloaddition of azomethine ylides, from imines of O-acylsalicylic aldehyde and ethyl diazoacetate, to ester carbonyl - experimental and DFT computational study.","Organic & biomolecular chemistry","2012","10","29","5582","5591","10.1039/c2ob25676b","","","0.71073","MOKα","","0.0358","0.0283","","","0.0671","0.07","","","","","","1.097","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152429","11.9682","0.0003","13.505","0.0003","14.0716","0.0004","91.862","0.001","92.106","0.001","111.135","0.001","2117.42","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H63 N5 O3 -","- C47 H63 N5 O3 -","- C94 H126 N10 O6 -","2","1","","Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","A polyoxapolyaza macrobicyclic receptor for the recognition of zwitterions.","Organic & biomolecular chemistry","2012","10","29","5529","5532","10.1039/c2ob25725d","","","0.71073","MoKα","","0.0652","0.0495","","","0.1276","0.1387","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152430","5.5086","0.0004","8.9755","0.0007","11.5642","0.0009","103.51","0.001","95.81","0.001","101.073","0.001","539.16","0.07","185","2","185","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Liu, Xu; Xin, Xin; Xiang, Dexuan; Zhang, Rui; Kumar, Santosh; Zhou, Fenguo; Dong, Dewen","Facile and efficient synthesis of quinolin-2(1H)-ones via cyclization of penta-2,4-dienamides mediated by H(2)SO(4).","Organic & biomolecular chemistry","2012","10","29","5643","5646","10.1039/c2ob25767j","","","0.71073","MoKα","","0.0501","0.0432","","","0.1167","0.1239","","","","","","1.043","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152431","9.4738","0.0006","17.4767","0.0012","26.9117","0.0017","90","","90","","90","","4455.8","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl2 Fe2 N2 O4 -","- C40 H62 Cl2 Fe2 N2 O4 -","- C160 H248 Cl8 Fe8 N8 O16 -","4","1","","Muthupandi, Pandi; Sekar, Govindasamy","Synthesis of an unusual dinuclear chiral iron complex and its application in asymmetric hydrophosphorylation of aldehydes.","Organic & biomolecular chemistry","2012","10","28","5347","5352","10.1039/c2ob25810b","","","0.71073","MoKα","","0.0577","0.037","","","0.0855","0.0999","","","","","","1.033","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152432","9.2365","0.0004","9.7935","0.0004","17.7681","0.0008","90","","101.569","0.003","90","","1574.61","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.1446","0.0671","","","0.1311","0.1606","","","","","","1.023","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152433","8.7119","0.0013","12.724","0.0018","15.85","0.002","66.646","0.003","80.311","0.003","70.794","0.003","1521.8","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.0805","0.0484","","","0.1216","0.138","","","","","","1.044","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152434","9.1476","0.0009","10.5282","0.0011","19.4696","0.0018","90","","103.17","0.001","90","","1825.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Liu, Jia-Yan; Zhang, Hao; Feng, Bao-Ming; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A multicomponent synthetic strategy for two-carbon-tethered 1,3-oxathiole-indole pairs.","Organic & biomolecular chemistry","2012","10","26","5036","5038","10.1039/c2ob25817j","","","0.71073","MoKα","","0.085","0.0448","","","0.0875","0.0993","","","","","","1.014","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152435","8.0391","0.0017","18.123","0.003","11.275","0.002","90","","105.499","0.009","90","","1582.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O6 -","- C19 H15 N O6 -","- C76 H60 N4 O24 -","4","1","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0967","0.0718","","","0.1112","0.1192","","","","","","1.171","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152436","7.6833","0.0005","12.1129","0.0008","13.7371","0.0009","97.44","0.003","97.44","0.003","102.311","0.003","1222.16","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C48 H40 Br8 O16 -","4","2","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0306","0.0225","","","0.0492","0.0521","","","","","","1.045","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152437","13.574","0.006","17.699","0.008","21.533","0.009","90","","90","","90","","5173","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C192 H160 Br32 O64 -","16","4","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0702","0.0352","","","0.0513","0.0589","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152438","11.27","0.002","12.954","0.002","13.331","0.001","90","","108.9","0.01","90","","1841.3","0.5","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C84 H72 Cl4 N4 O12 S4 -","4","1","","Börger, Carsten; Krahl, Micha P.; Gruner, Margit; Kataeva, Olga; Knölker, Hans-Joachim","First total synthesis of the biscarbazole alkaloid oxydimurrayafoline.","Organic & biomolecular chemistry","2012","10","27","5189","5193","10.1039/c2ob25842k","","","0.71073","MoKα","","0.065","0.0352","","","0.0728","0.0809","","","","","","1.018","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152439","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152440","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152441","12.3304","0.0017","12.3304","0.0017","38.821","0.008","90","","90","","90","","5902.3","1.7","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H42 Cl N O4 -","- C33 H42 Cl N O4 -","- C264 H336 Cl8 N8 O32 -","8","1","","Chen, Song; Rong, Chao; Feng, Pengju; Li, Songlei; Shi, Yian","Stereoselective construction of the tetracyclic core of Cryptotrione.","Organic & biomolecular chemistry","2012","10","29","5518","5520","10.1039/c2ob25923k","","","0.71073","MoKα","","0.0932","0.0906","","","0.1577","0.1587","","","","","","1.321","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152442","7.2914","0.0002","13.7723","0.0003","17.2777","0.0004","90","","99.684","0.002","90","","1710.29","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O2 -","- C18 H20 N6 O2 -","- C72 H80 N24 O8 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71073","MoKα","","0.0523","0.0444","","","0.1151","0.1222","","","","","","1.024","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152443","21.464","0.015","8.35","0.006","20.873","0.014","90","","98.375","0.012","90","","3701","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 F5 N5 O4 -","- C37 H50 F5 N5 O4 -","- C148 H200 F20 N20 O16 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71075","MoKα","","0.1445","0.1173","","","0.1791","0.1917","","","","","","1.269","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152444","16.627","0.004","8.9654","0.0018","17.878","0.004","90","","93.051","0.004","90","","2661.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 F5 N4 O -","- C14 H7 F5 N4 O -","- C112 H56 F40 N32 O8 -","8","2","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71075","MoKα","","0.068","0.0571","","","0.1081","0.113","","","","","","1.143","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152445","29.489","0.005","7.2109","0.0011","18.264","0.003","90","","119.114","0.008","90","","3393","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N6 O3.5 -","- C17 H21 N6 O3.5 -","- C136 H168 N48 O28 -","8","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71073","MoKα","","0.0693","0.0567","","","0.1514","0.1606","","","","","","1.08","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7152446","8.2256","0.0014","11.0205","0.0018","18.212","0.003","90","","90","","90","","1650.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br F3 N O -","- C18 H13 Br F3 N O -","- C72 H52 Br4 F12 N4 O4 -","4","1","","Ye, Ke-Yin; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of 2,5-dihydrobenzo[b]azepine derivatives via iridium-catalyzed asymmetric allylic amination with 2-allylanilines and ring-closing-metathesis reaction.","Organic & biomolecular chemistry","2012","10","30","5932","5939","10.1039/c2ob00036a","","","0.71073","MoKα","","0.0382","0.0302","","","0.0719","0.0751","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152447","6.0553","0.0002","13.8095","0.0005","15.5347","0.0005","90","","90","","90","","1299.02","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Madhavachary, R.; Prasad, M. Shiva","Observation of neighboring ortho-hydroxyl group participation in organocatalytic asymmetric sequential Michael-lactonization reactions: synthesis of highly substituted chiral spirodihydrocoumarins.","Organic & biomolecular chemistry","2012","10","30","5825","5829","10.1039/c2ob07122c","","","1.54184","CuKα","","0.0539","0.0438","","","0.1094","0.1146","","","","","","1.075","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152448","9.2659","0.0004","14.2973","0.0005","29.1661","0.0011","90","","90","","90","","3863.8","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O6 -","- C43 H62 N2 O6 -","- C172 H248 N8 O24 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0862","","","","0.1872","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152449","9.3208","0.0004","14.1964","0.0006","29.1726","0.0013","90","","90","","90","","3860.2","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O5 -","- C43 H62 N2 O5 -","- C172 H248 N8 O20 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0613","","","","0.1779","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152450","15.1052","0.0002","6.5375","0.0001","23.8816","0.0004","90","","95.864","0.0006","90","","2345.97","0.06","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H77 N2 O8 -","- C51 H78 N2 O8 -","- C102 H156 N4 O16 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","0.7","synchrotron","","","0.1076","","","","0.3477","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152451","11.406","0.0006","7.8884","0.0004","27.0427","0.0014","90","","96.296","0.003","90","","2418.5","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H80 N2 O10 -","- C51 H80 N2 O10 -","- C102 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0865","","","","0.2553","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152452","11.2617","0.0005","7.6842","0.0003","27.7084","0.0012","90","","93.487","0.002","90","","2393.37","0.18","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H80 N2 O10 -","- C52 H80 N2 O10 -","- C104 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.1664","","","","0.475","","","","","","1.327","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152453","4.641","0.002","10.535","0.003","15.936","0.004","90","","90","","90","","779.2","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 F O3 -","- C7 H9 F O3 -","- C28 H36 F4 O12 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0547","0.0448","","","0.1107","0.1151","","","","","","1.052","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152454","8.2716","0.0012","10.4218","0.0018","10.0531","0.0018","90","","106.384","0.013","90","","831.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 F O6 -","- C17 H21 F O6 -","- C34 H42 F2 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0303","0.0276","","","0.0786","0.0806","","","","","","1.026","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152455","12.125","0.002","4.8704","0.0015","14.1","0.003","90","","92.283","0.006","90","","832","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H9 Cl O3 -","- C7 H9 Cl O3 -","- C28 H36 Cl4 O12 -","4","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.085","0.0503","","","0.1098","0.1266","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152456","11.185","0.005","11.218","0.01","10.307","0.005","104.76","0.05","91.6","0.04","100.21","0.05","1227.1","1.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cl3 N O4 -","- C22 H30 Cl3 N O4 -","- C44 H60 Cl6 N2 O8 -","2","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.54178","CuKα","","0.101","0.0725","","","0.204","0.2327","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152457","9.681","0.003","28.33","0.01","6.26","0.002","90","","90","","90","","1716.9","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.5418","CuKα","","0.1436","0.0735","","","0.1465","0.1915","","","","","","1.201","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152458","22.1832","0.0006","5.8375","0.0002","14.5119","0.0004","90","","105.895","0.0012","90","","1807.36","0.09","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C64 H124 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0494","0.0465","","0.121","0.1165","0.121","","","","","","0.9701","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152459","5.7565","0.0002","19.43","0.0008","8.1386","0.0003","90","","96.168","0.002","90","","905.02","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C32 H62 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0433","0.0365","","0.0936","0.0839","0.0936","","","","","","0.9192","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152460","7.9717","0.0002","12.5518","0.0003","13.0678","0.0003","90","","95.5854","0.0009","90","","1301.35","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C56 H78 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0457","0.0432","","0.1173","0.1153","0.1173","","","","","","0.9837","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152461","9.326","0.0002","13.7383","0.0003","20.3169","0.0006","90","","90","","90","","2603.07","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0451","0.0364","","0.0984","0.089","0.0984","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152462","16.0394","0.0003","16.0394","0.0003","21.4724","0.0006","90","","90","","90","","5524","0.2","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C47 H77 Cl5 O15 -","- C47 H77 Cl5 O15 -","- C188 H308 Cl20 O60 -","4","1","","Paterson, Ian; Anderson, Edward A.; Dalby, Stephen M.; Lim, Jong Ho; Maltas, Philip","The stereocontrolled total synthesis of spirastrellolide A methyl ester. Fragment coupling studies and completion of the synthesis.","Organic & biomolecular chemistry","2012","10","30","5873","5886","10.1039/c2ob25101a","","","0.71073","MoKα","","0.0637","0.0508","","","0.1168","0.1239","","","","","","1.083","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152463","6.95676","0.00013","12.7545","0.0003","24.6435","0.0005","90","","90","","90","","2186.62","0.08","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O5 S -","- C24 H21 N3 O5 S -","- C96 H84 N12 O20 S4 -","4","1","","Tsukano, Chihiro; Yokouchi, Shinsuke; Girard, Anne-Lise; Kuribayashi, Toshifumi; Sakamoto, Shota; Enomoto, Taro; Takemoto, Yoshiji","Platinum catalyzed 7-endo cyclization of internal alkynyl amides and its application to synthesis of the caprazamycin core.","Organic & biomolecular chemistry","2012","10","30","6074","6086","10.1039/c2ob25111f","","","1.54187","CuKα","","","0.0388","","","","0.0627","","","","","","1.829","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152464","8.831","0.002","9.455","0.003","21.605","0.006","90","","99.62","0.008","90","","1778.6","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Marek-70 (Bishnu)","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan","Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.","Organic & biomolecular chemistry","2012","10","30","5803","5806","10.1039/c2ob25121c","","","0.71073","MoKα","","0.161","0.0795","","","0.2151","0.2578","","","","","","0.921","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152465","8.032","0.001","9.304","0.001","11.542","0.001","103.644","0.004","92.877","0.004","97.279","0.003","828.56","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Marek-88 ( Tom)","","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","","Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan","Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.","Organic & biomolecular chemistry","2012","10","30","5803","5806","10.1039/c2ob25121c","","","0.71073","MoKα","","0.0773","0.0599","","","0.1827","0.1958","","","","","","1.116","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152466","10.09","0.002","30.792","0.006","31.472","0.006","103.63","0.03","91.68","0.03","93.67","0.03","9473","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H94 N12 O4 Zn2 -","- C120 H94 N12 O4 Zn2 -","- C480 H376 N48 O16 Zn8 -","4","2","","Mulholland, Amy R.; Thordarson, Pall; Mensforth, Emily J.; Langford, Steven J.","Porphyrin dyads linked by a rotatable 3,3'-biphenyl scaffold: a new binding motif for small ditopic molecules.","Organic & biomolecular chemistry","2012","10","30","6045","6053","10.1039/c2ob25147g","","","0.71254","synchrotron","","0.1346","0.0992","","","0.2726","0.3072","","","","","","1.016","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152467","13.087","0.003","13.192","0.002","14.62","0.003","103.23","0.02","107.21","0.03","108.81","0.02","2130.5","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound X","","","- C82 H100 Cl12 N6 O6 -","- C82 H100 Cl12 N6 O6 -","- C82 H100 Cl12 N6 O6 -","1","0.5","","Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.","Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.","Organic & biomolecular chemistry","2012","10","30","5954","5964","10.1039/c2ob25196e","","","1.54178","CuKα","","0.0956","0.0758","","","0.1974","0.216","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152468","25.976","0.005","19.61","0.004","19.93","0.004","90","","126.21","0.03","90","","8191","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound X","","","- C88 H102 Cl6 N6 O6 -","- C88 H102 Cl6 N6 O6 -","- C352 H408 Cl24 N24 O24 -","4","0.5","","Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.","Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.","Organic & biomolecular chemistry","2012","10","30","5954","5964","10.1039/c2ob25196e","","","0.71073","MoKα","","0.1135","0.0695","","","0.1553","0.1742","","","","","","1.046","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152469","16.478","0.004","17.317","0.004","22.065","0.005","78.786","0.003","78.864","0.003","65.622","0.003","5580","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H119.5 F12 N7.5 O25.5 S4 -","- C107 H118.5 F12 N7.5 O25.5 S4 -","- C214 H237 F24 N15 O51 S8 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1636","0.1114","","","0.3178","0.3647","","","","","","1.291","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152470","20.057","0.003","22.223","0.003","18.474","0.003","90","","109.497","0.002","90","","7762","2","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C119 H169 B6 Cd F24 N31 O60 -","- C96 H100 B6 Cd F24 N8 O14 -","- C192 H200 B12 Cd2 F48 N16 O28 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1188","0.0855","","","0.2214","0.2405","","","","","","0.926","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152471","18.248","0.009","20.018","0.01","28.528","0.014","90","","92.355","0.008","90","","10412","9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H158 F24 N18 O47 Ru2 S8 -","- C172 H152 F24 N18 O47 Ru2 S8 -","- C344 H304 F48 N36 O94 Ru4 S16 -","2","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.4242","0.2267","","","0.4545","0.5573","","","","","","1.292","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152472","21.417","0.003","25.553","0.003","13.838","0.002","90","","103.228","0.002","90","","7372.2","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H144 F12 N12 O39 S4 -","- C138 H126 F12 N12 O39 S4 -","- C276 H252 F24 N24 O78 S8 -","2","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.2414","0.1361","","","0.2818","0.3449","","","","","","1.104","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152473","37.627","0.006","12.68","0.002","20.775","0.003","90","","123.038","0.002","90","","8309","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H94 B2 F8 N8 O24 -","- C76 H76 B2 F8 N2 O12 -","- C304 H304 B8 F32 N8 O48 -","4","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1669","0.1216","","","0.3558","0.3818","","","","","","1.259","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152474","12.554","0.004","13.774","0.005","15.329","0.005","80.404","0.005","68.495","0.004","89.969","0.005","2426.3","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H57 Cl3 O12 -","- C52 H56 O12 -","- C104 H112 O24 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.2106","0.1434","","","0.356","0.3936","","","","","","1.165","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152475","27.729","0.003","16.8628","0.0019","23.505","0.003","90","","106.757","0.001","90","","10524","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H116 F12 N4 O26 S4 -","- C104 H114 F12 N4 O26 S4 -","- C416 H456 F48 N16 O104 S16 -","4","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1499","0.109","","","0.291","0.3206","","","","","","1.086","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152476","6.8058","0.0003","8.713","0.0004","13.1696","0.0005","90","","91.746","0.003","90","","780.58","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C30 H44 O6 S2 -","2","1","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0816","0.0621","","","0.1676","0.1852","","","","","","1.102","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152477","8.6495","0.0006","8.6869","0.0006","13.4401","0.0009","72.062","0.004","89.472","0.004","85.803","0.005","958.09","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","2","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0852","0.0709","","","0.2023","0.2362","","","","","","1.107","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152478","9.3018","0.0003","16.8469","0.0005","25.9616","0.0008","90","","90","","90","","4068.4","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C176 H162 Br4 Cu4 Fe4 N6 P8 -","2","0.5","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0811","0.0566","","","0.1375","0.1487","","","","","","1.072","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152479","36.714","0.004","36.714","0.004","15.1151","0.0015","90","","90","","120","","17644","3","193","2","193","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C46 H32 O2 -","- C46 H32 O2 -","- C828 H576 O36 -","18","1","","Fort, Eric H.; Scott, Lawrence T.","Facile air-oxidation of large aromatic hydrocarbon bay regions to bay region quinones: predicted oxygen-sensitivity of hydrogen-terminated carbon nanotubes.","Organic & biomolecular chemistry","2012","10","30","5747","5749","10.1039/c2ob25208b","","","0.71073","MoKα","","0.0874","0.0628","","","0.1718","0.1886","","","","","","1.069","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152480","17.8976","0.0004","11.2875","0.0003","18.4543","0.0005","90","","95.4952","0.0012","90","","3710.99","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 3-(3-(3-(but-3-en-1-yl)-3-(3-(2-(tert-butoxy)-2-oxoethoxy) -5-isopropoxybenzoyl)ureido)-4-isopropoxyphenyl)propanoate","","- C37 H52 N2 O9 -","- C37 H52 N2 O9 -","- C148 H208 N8 O36 -","4","1","","Thompson, Sam; Hamilton, Andrew D.","Amphiphilic α-helix mimetics based on a benzoylurea scaffold.","Organic & biomolecular chemistry","2012","10","30","5780","5782","10.1039/c2ob25273b","","","0.71073","MoKα","","0.1212","0.0612","","0.0788","0.0524","0.0478","","","","","","1.1257","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152481","8.8237","0.0007","12.5753","0.0009","24.9768","0.0016","83.919","0.006","83.43","0.006","69.943","0.007","2579.6","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N7 O4 -","- C26 H25 N7 O4 -","- C104 H100 N28 O16 -","4","2","","Shafran, Yuri; Rozin, Yuri; Beryozkina, Tetyana; Zhidovinov, Sergei; Eltsov, Oleg; Subbotina, Julia; Leban, Johann; Novikova, Rashida; Bakulev, Vasiliy","Self condensation of enamines mediated by acetylation. A novel approach to 1-(azol-5-yl)-(1E,3Z)-butadiene-4-N,N-dimethylamines.","Organic & biomolecular chemistry","2012","10","30","5795","5798","10.1039/c2ob25331c","","","0.71073","MoKα","","0.1135","0.0408","","","0.0751","0.0814","","","","","","1","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152482","4.9211","0.0003","12.5759","0.0008","23.0138","0.0015","90","","90","","90","","1424.26","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0815","0.0784","","","0.1707","0.1722","","","","","","1.784","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152483","17.193","0.004","4.8775","0.0012","17.519","0.004","90","","102.213","0.014","90","","1435.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N3 O2 -","- C18 H16 N3 O2 -","- C72 H64 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.1448","0.0553","","","0.1221","0.1628","","","","","","0.929","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152484","4.9819","0.0005","6.5576","0.0006","28.039","0.003","90","","90","","90","","916.01","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0462","0.0366","","","0.0897","0.0933","","","","","","1.058","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152485","11.1962","0.001","13.6978","0.0016","20.614","0.002","87.116","0.007","76.553","0.007","68.06","0.007","2849.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N5 O10 -","- C28 H29 N5 O10 -","- C112 H116 N20 O40 -","4","2","","Escribano-Cuesta, Ana; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Sekine, Masaki; Braga, Ataualpa A. C.; Maseras, Feliu; Echavarren, Antonio M.","The role of cyclobutenes in gold(i)-catalysed skeletal rearrangement of 1,6-enynes.","Organic & biomolecular chemistry","2012","10","30","6105","6111","10.1039/c2ob25419k","","","1.54178","CuKα","","0.1353","0.1066","","","0.2549","0.2805","","","","","","0.999","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152486","8.549","0.004","8.811","0.004","14.226","0.006","88.044","0.016","87.18","0.019","85.651","0.018","1066.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O8 -","- C22 H27 N O8 -","- C44 H54 N2 O16 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.066","0.0611","","","0.2191","0.2317","","","","","","1.99","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152487","8.5986","0.0008","9.3898","0.001","26.681","0.003","90","","90.782","0.003","90","","2154","0.4","169","2","169","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O8 -","- C22 H27 N O8 -","- C88 H108 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0719","0.0564","","","0.1369","0.1436","","","","","","1.082","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152488","6.8683","0.0012","9.2342","0.0015","10.5078","0.0019","111.922","0.004","90.897","0.004","96.504","0.004","613.06","0.18","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0528","0.0436","","","0.1227","0.1339","","","","","","1.114","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152489","10.301","0.005","8.437","0.004","23.76","0.011","90","","100.05","0.04","90","","2033.3","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C84 H92 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0595","0.049","","","0.1535","0.1622","","","","","","1.262","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152490","7.3141","0.0014","11.871","0.003","12.579","0.002","72.852","0.01","83.715","0.008","89.902","0.011","1036.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O9 -","- C22 H25 N O9 -","- C44 H50 N2 O18 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","x-ray","0.71075","MoKα","","0.0536","0.0445","","","0.1155","0.1277","","","","","","1.068","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152491","14.467","0.006","9.266","0.003","15.337","0.004","90","","96.767","0.016","90","","2041.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C84 H92 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0638","0.0577","","","0.2092","0.2153","","","","","","1.795","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152492","8.4243","0.0018","8.6769","0.0016","9.173","0.0017","108.968","0.005","103.816","0.006","94.519","0.006","606.8","0.2","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C26 H30 N2 O10 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0467","0.0406","","","0.1068","0.11","","","","","","1.057","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152493","13.062","0.0011","12.0982","0.0008","16.2166","0.0013","90","","90","","90","","2562.7","0.3","169","2","169","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0562","0.044","","","0.1169","0.1234","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152494","7.573","0.006","8.394","0.005","18.258","0.012","87.48","0.02","83.12","0.03","69.44","0.03","1078.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C44 H50 N2 O16 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.1636","0.1503","","","0.444","0.4465","","","","","","2.821","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152495","7.633","0.002","8.046","0.002","14.859","0.005","77.08","0.02","88.83","0.02","62.32","0.02","784","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.2177","0.1039","","","0.2413","0.3108","","","","","","0.96","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152496","10.7772","0.0008","6.5073","0.0005","25.4062","0.0019","90","","90.353","0.006","90","","1781.7","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O4 -","- C19 H21 Br O4 -","- C76 H84 Br4 O16 -","4","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.0572","0.0528","","","0.1355","0.1394","","","","","","1.005","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152497","8.8972","0.0002","12.2375","0.0003","12.7413","0.0003","90","","90","","90","","1387.27","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.064","0.0451","","","0.1149","0.1196","","","","","","0.964","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152498","8.1642","0.0003","12.0184","0.0005","14.2772","0.0005","90","","90","","90","","1400.89","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.0487","0.0374","","","0.0907","0.0935","","","","","","0.973","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152499","30.181","0.003","9.9266","0.0008","14.6281","0.0012","90","","118.99","","90","","3833.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 B2 N2 -","- C20 H32 B2 N2 -","- C160 H256 B16 N16 -","8","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0432","0.038","","","0.101","0.1051","","","","","","1.053","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152500","8.6278","0.0007","11.1348","0.0008","13.2544","0.001","71.123","0.001","89.295","0.001","87.433","0.001","1203.64","0.16","247","2","247","2","","","","","","","","4","P -1","-P 1","2","BBN-picoline-dimer","","","- C28 H40 B2 N2 -","- C28 H40 B2 N2 -","- C56 H80 B4 N4 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.1029","0.0511","","","0.1161","0.1372","","","","","","1.028","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152501","20.0937","0.0016","9.9331","0.0008","15.1773","0.0012","90","","112.871","0.001","90","","2791.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diphenylboronpicoline-dimer","","","- C36 H32 B2 N2 -","- C36 H32 B2 N2 -","- C144 H128 B8 N8 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0501","0.0363","","","0.0827","0.0907","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152502","19.7442","0.0008","8.9337","0.0004","16.7141","0.0007","90","","103.467","0.001","90","","2867.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","borafluorenylpicoline-CH3CN-solvate","","","- C38 H26 B2 N3 -","- C38 H26 B2 N3 -","- C152 H104 B8 N12 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0656","0.0531","","","0.1483","0.1596","","","","","","1.044","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152503","10.166","0.004","13.303","0.006","15.011","0.006","90","","90","","90","","2030.1","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","diethylboronpicoline-LiOMe-TMEDA","","","- C17 H35 B Li N3 O -","- C17 H35 B Li N3 O -","- C68 H140 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0446","0.041","","","0.1014","0.1044","","","","","","1.105","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152504","9.537","0.002","19.523","0.005","11.571","0.003","90","","91.102","0.003","90","","2154","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BBN-picoline-LiOMe-TMEDA","","","- C21 H39 B Li N3 O -","- C21 H39 B Li N3 O -","- C84 H156 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0974","0.0915","","","0.2621","0.2649","","","","","","1.292","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152505","9.1997","0.0005","10.062","0.0005","13.7746","0.0007","75.513","0.001","85.615","0.001","66.257","0.001","1129.62","0.1","101","2","101","2","","","","","","","","6","P -1","-P 1","2","BBNpicoline-LiOMe-2THF","","","- C23 H39 B Li N O3 -","- C23 H39 B Li N O3 -","- C46 H78 B2 Li2 N2 O6 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0708","0.0585","","","0.1394","0.1486","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152506","7.4473","0.0004","9.7852","0.0006","20.4386","0.0012","90","","90","","90","","1489.43","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzaldehyde","","","- C17 H21 B N2 -","- C17 H21 B N2 -","- C68 H84 B4 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0324","0.0288","","","0.0676","0.0696","","","","","","1.052","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152507","10.285","0.002","24.538","0.005","10.285","0.002","90","","93.67","","90","","2590.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylboronpicoline-13dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0692","0.0409","","","0.0993","0.1104","","","","","","0.94","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152508","6.7145","0.0004","15.9589","0.0009","23.1949","0.0013","90","","90","","90","","2485.5","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","diethylboronpicoline-14dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0568","0.0399","","","0.0892","0.0986","","","","","","1.015","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152509","8.6575","0.0005","14.9677","0.0009","14.9962","0.0009","90","","90","","90","","1943.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzophenone","","","- C23 H26 B N O -","- C23 H26 B N O -","- C92 H104 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0289","0.0275","","","0.068","0.0691","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152510","8.2474","0.0006","18.4202","0.0013","11.0654","0.0008","90","","97.891","0.001","90","","1665.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-2chloroacetophenone","","","- C18 H23 B Cl N O -","- C18 H23 B Cl N O -","- C72 H92 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0417","0.0341","","","0.0838","0.0879","","","","","","1.054","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152511","13.0246","0.0011","7.6223","0.0007","16.3135","0.0014","90","","91.507","0.001","90","","1619","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","diethylboronpicoline-4Chlorobenzaldehyde","","","- C17 H21 B Cl N O -","- C17 H21 B Cl N O -","- C68 H84 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0354","0.0333","","","0.086","0.0874","","","","","","0.984","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152512","9.2247","0.001","16.045","0.0018","10.9529","0.0012","90","","93.999","0.001","90","","1617.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-4nitrobenzaldehyde","","","- C17 H21 B N2 O3 -","- C17 H21 B N2 O3 -","- C68 H84 B4 N8 O12 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0639","0.0568","","","0.1399","0.1454","","","","","","0.902","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152513","8.3937","0.0006","10.2137","0.0007","11.238","0.0012","108.665","0.001","102.699","0.001","100.782","0.001","855.21","0.12","109","2","109","2","","","","","","","","6","P -1","-P 1","2","diethylboronpicoline-4trifluorotolualdehyde","","","- C18 H21 B F3 N O -","- C18 H21 B F3 N O -","- C36 H42 B2 F6 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0402","0.0351","","","0.0891","0.0928","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152514","8.2346","0.001","8.449","0.001","20.337","0.002","90","","99.733","0.002","90","","1394.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-crotonaldehyde","","","- C14 H22 B N O -","- C14 H22 B N O -","- C56 H88 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.071","0.0436","","","0.0842","0.0947","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152515","8.4677","0.0004","11.4989","0.0005","14.424","0.0007","90","","101.503","0.001","90","","1376.24","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BBNpicoline-n,n-dimethylacetamide","","","- C16 H22 B N O -","- C16 H22 B N O -","- C64 H88 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0395","0.0353","","","0.0842","0.0879","","","","","","0.972","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152516","10.5949","0.0007","7.6737","0.0005","24.2686","0.0016","90","","100.587","0.001","90","","1939.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diphenylboronpicoline-acetonitrile","","","- C21 H21 B Cl2 N2 -","- C21 H21 B Cl2 N2 -","- C84 H84 B4 Cl8 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0532","0.0346","","","0.0806","0.0894","","","","","","1.074","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152517","17.8677","0.0008","20.0262","0.0009","10.9651","0.0005","90","","102.768","0.001","90","","3826.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diphenylboronpicoline-benzonitrile","","","- C25 H21 B N2 -","- C25 H21 B N2 -","- C200 H168 B8 N16 -","8","2","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0462","0.0346","","","0.0833","0.0917","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152518","8.4273","0.0008","10.2028","0.0009","12.7409","0.0012","95.769","0.001","105.923","0.001","104.904","0.001","1000.62","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","diphenylboronpicoline-4chlorobenzaldehyde","","","- C25 H21 B Cl N O -","- C25 H21 B Cl N O -","- C50 H42 B2 Cl2 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0558","0.0434","","","0.1015","0.1085","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152519","8.4944","0.0004","9.8689","0.0005","10.9392","0.0006","63.499","0.001","87.637","0.001","81.64","0.001","811.67","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","diphenylboronpicoline-n,n-dimethylacetamide","","","- C20 H18 B N O -","- C20 H18 B N O -","- C40 H36 B2 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0399","0.0337","","","0.0854","0.0901","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152520","38.885","0.002","7.5009","0.0004","24.1696","0.0013","90","","123.084","0.002","90","","5906.7","0.6","100","2","","","","","","","","","Dipeptide synthesized according to Mutters procedure followed by acylation with the Fmoc alanine fluoride.","4","C 1 2 1","C 2y","5","","Fmoc-Ala-(R)-MeSer(psipro)-Ala-OtBu","","- C60 H74 N6 O14 -","- C60 H74 N6 O14 -","- C240 H296 N24 O56 -","4","1","","Katarzyńska, Joanna; Mazur, Adam; Wolf, Wojciech M.; Teat, Simon J.; Jankowski, Stefan; Leplawy, Mirosław T; Zabrocki, Janusz","4-Methylpseudoproline derived from α-methylserine - synthesis and conformational studies.","Organic & biomolecular chemistry","2012","10","33","6705","6716","10.1039/c2ob25732g","","","","","","0.0647","0.0608","","","0.1712","0.1763","","","","","","","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152521","14.9433","0.0004","16.7585","0.0004","17.4804","0.0004","109.705","0.001","98.331","0.001","112.991","0.001","3595.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H86 Cl6 O9 Se6 -","- C65 H86 Cl6 O9 Se6 -","- C130 H172 Cl12 O18 Se12 -","2","1","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.0701","0.0497","","","0.1095","0.1188","","","","","","1.033","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152522","28.31","0.004","28.31","0.004","14.618","0.003","90","","90","","90","","11716","3","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C60 H88 O6 Se4 -","- C60 H88 O6 Se4 -","- C480 H704 O48 Se32 -","8","0.5","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.0539","0.0364","","","0.0844","0.0928","","","","","","1.079","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152523","13.801","0.007","27.671","0.012","31.568","0.016","90","","93.689","0.014","90","","12030","10","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 Ag F3 O7 S Se4 -","- C53 H72 Ag F3 O7 S Se4 -","- C424 H576 Ag8 F24 O56 S8 Se32 -","8","2","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.094","0.0837","","","0.1718","0.1779","","","","","","1.071","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152524","13.994","0.002","13.994","0.002","14.223","0.003","90","","90","","90","","2785.3","0.8","100","2","100","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C52 H72 Ag F6 O4 P Se4 -","- C52 H72 Ag F6 O4 P Se4 -","- C104 H144 Ag2 F12 O8 P2 Se8 -","2","0.25","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.1032","0.0512","","","0.0887","0.0937","","","","","","0.988","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152525","10.8677","0.0013","12.6155","0.001","26.392","0.005","90","","95.784","0.008","90","","3600","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 Cl6 O8 Se4 -","- C64 H90 Cl6 O8 Se4 -","- C128 H180 Cl12 O16 Se8 -","2","0.5","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.0548","0.0456","","","0.1082","0.1137","","","","","","1.055","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152526","12.8286","0.0007","12.1802","0.0007","11.4263","0.0006","90","","111.313","0.001","90","","1663.31","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*,4aS*,10aS*)-1-(3,4-dimethoxyphenyl)-1,3,4,4a,10,10a-hexahydropyrano [4,3-b]chromene","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Subba Reddy, B. V.; Jalal, Sayed; Borkar, Prashant; Yadav, J. S.; Reddy, P. P.; Kunwar, A. C.; Sridhar, B.","The stereoselective synthesis of cis-/trans-fused hexahydropyrano[4,3-b]chromenes via Prins cyclization trapping by a tethered nucleophile.","Organic & biomolecular chemistry","2012","10","32","6562","6568","10.1039/c2ob25771h","","","0.71073","MoKα","","0.0358","0.0327","","","0.09","0.0938","","","","","","1.047","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152527","11.086","0.002","12.727","0.003","13.649","0.003","73.23","0.03","84.08","0.03","83.37","0.03","1826.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","2","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.0755","0.0655","","","0.13","0.1364","","","","","","1.143","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152528","8.8707","0.0018","10.082","0.002","18.499","0.004","90","","90","","90","","1654.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N3 O2 -","- C15 H18 Br N3 O2 -","- C60 H72 Br4 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.1173","0.0398","","","0.0521","0.061","","","","","","0.735","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152529","11.082","0.002","8.7","0.0017","16.612","0.003","90","","100.67","0.03","90","","1573.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.137","0.0598","","","0.1324","0.1391","","","","","","1.008","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152530","9.869","0.002","14.785","0.003","16.173","0.003","90","","95.51","0.03","90","","2348.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,8-bis(4-phenoxyphenyl)-1,5-naphthyridine","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.1729","0.0756","","","0.1411","0.1725","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152531","8.942","0.0018","10.249","0.002","21.626","0.004","90","","96.87","0.03","90","","1967.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,8-bis(9,9-dibutyl-9H-fluoren-2-yl)-1,5-naphthyridine","","","- C25 H27 N -","- C25 H27 N -","- C100 H108 N4 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.1535","0.0766","","","0.1626","0.1974","","","","","","1.005","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152532","11.973","0.002","7.802","0.0016","12.534","0.003","90","","102.95","0.03","90","","1141.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,8-bis(4-(tert-butyl)phenyl)-1,5-naphthyridine","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.181","0.0759","","","0.1069","0.134","","","","","","1.002","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152533","8.9397","0.0006","11.7671","0.0008","17.0494","0.0012","96.72","0.003","97.088","0.003","103.4","0.003","1711.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.055","","","0.1548","0.177","","","","","","1.065","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152534","9.0853","0.0007","9.0853","0.0007","23.592","0.004","90","","90","","90","","1947.3","0.4","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 Cl N O5 -","- C20 H20 Cl N O5 -","- C80 H80 Cl4 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0592","","","0.1586","0.1862","","","","","","1.045","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152535","12.4785","0.0004","13.3392","0.0005","10.0137","0.0004","90","","103.019","0.002","90","","1623.97","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0386","","","0.1052","0.1113","","","","","","1.046","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152536","12.0158","0.0005","9.3261","0.0004","14.7056","0.0006","90","","98.3","0.003","90","","1630.66","0.12","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O S -","- C18 H16 Br N O S -","- C72 H64 Br4 N4 O4 S4 -","4","1","","Bertolasi, Valerio; Bortolini, Olga; Donvito, Adelaide; Fantin, Giancarlo; Fogagnolo, Marco; Giovannini, Pier Paolo; Massi, Alessandro; Pacifico, Salvatore","Unexpected reactivity of diaryl α-diketones with thiazolium carbenes: discovery of a novel multicomponent reaction for the facile synthesis of 1,4-thiazin-3-ones.","Organic & biomolecular chemistry","2012","10","32","6579","6586","10.1039/c2ob25928a","","","0.71073","MoKα","","0.0688","0.0438","","","0.0982","0.1098","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152537","26.031","0.0009","5.2668","0.0002","25.435","0.0011","90","","114.261","0.002","90","","3179.2","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 S -","- C20 H16 N2 S -","- C160 H128 N16 S8 -","8","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.1318","0.0664","","","0.1323","0.1602","","","","","","1.054","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152538","11.123","0.005","7.632","0.004","12.7","0.005","90","","90.39","0.01","90","","1078.1","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.0847","0.0534","","","0.1428","0.1896","","","","","","0.789","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152539","17.055","0.003","7.5478","0.0012","19.591","0.003","90","","100.937","0.002","90","","2476.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N4 O3 -","- C29 H26 N4 O3 -","- C116 H104 N16 O12 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.6889","synchrotron","","0.0742","0.0614","","","0.1782","0.1871","","","","","","1.043","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152540","10.988","0.01","7.353","0.007","29.7","0.03","90","","95.027","0.008","90","","2390","4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 F3 N3 O5 -","- C27 H24 F3 N3 O5 -","- C108 H96 F12 N12 O20 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.6889","synchrotron","","0.2693","0.2297","","","0.6078","0.6335","","","","","","2.681","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152541","10.8328","0.0006","12.7806","0.0008","13.3203","0.0006","72.909","0.005","79.316","0.004","71.622","0.006","1664.08","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 F3 N3 O6 Si -","- C34 H40 F3 N3 O6 Si -","- C68 H80 F6 N6 O12 Si2 -","2","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.0544","0.041","","","0.0919","0.1012","","","","","","1.031","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152542","8.0807","0.0003","11.5619","0.0005","12.786","0.0005","79.423","0.003","86.322","0.003","82.872","0.003","1164.15","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.0429","0.0348","","","0.0996","0.102","","","","","","1.122","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152543","13.9615","0.0006","6.7669","0.0002","19.4128","0.0008","90","","100.967","0.004","90","","1800.55","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.05","0.0402","","","0.0952","0.102","","","","","","1.026","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152544","8.0564","0.0005","14.5528","0.0008","15.2944","0.0008","61.687","0.002","87.605","0.002","88.859","0.002","1577.27","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Benzamide","","","- C66 H78 N6 O19 -","- C66 H78 N6 O19 -","- C66 H78 N6 O19 -","1","0.5","","Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.","2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.","Organic & biomolecular chemistry","2012","10","32","6469","6472","10.1039/c2ob26262b","","","0.71073","MoKα","","0.1102","0.0518","","","0.1092","0.1316","","","","","","0.977","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152545","9.0441","0.0007","13.9383","0.001","17.5956","0.0012","90","","99.421","0.004","90","","2188.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzamide","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.","2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.","Organic & biomolecular chemistry","2012","10","32","6469","6472","10.1039/c2ob26262b","","","0.71073","MoKα","","0.1298","0.0743","","","0.2001","0.2362","","","","","","1.024","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152546","7.938","0.003","23.823","0.004","9.277","0.003","90","","104.96","0.03","90","","1694.9","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","1","","Amat, Mercedes; Semak, Vladislav; Escolano, Carmen; Molins, Elies; Bosch, Joan","Enantioselective, protecting group-free synthesis of 1S-ethyl-4-substituted quinolizidines.","Organic & biomolecular chemistry","2012","10","34","6866","6875","10.1039/c2ob25392e","","x-ray","0.71073","MoKα","","0.1709","0.0528","","","0.1158","0.1479","","","","","","0.888","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152547","5.7061","0.0005","17.048","0.0015","18.4614","0.0016","90","","90","","90","","1795.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0231","0.0228","","","0.0637","0.064","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152548","8.4384","0.0003","5.3564","0.0002","16.3563","0.0005","90","","93.619","0.002","90","","737.82","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0587","0.0435","","","0.1099","0.1189","","","","","","1.048","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152549","11.135","0.002","11.251","0.002","14.491","0.003","106.087","0.004","90.501","0.004","114.229","0.004","1575.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 O10 S2 -","- C33 H32 N2 O10 S -","- C66 H64 N4 O20 S2 -","2","1","","Medina, Sandra; González-Gómez, Alvaro; Domínguez, Gema; Pérez-Castells, Javier","Medium-sized and strained heterocycles from non-catalysed and gold-catalysed conversions of β-carbolines.","Organic & biomolecular chemistry","2012","10","35","7167","7176","10.1039/c2ob25755f","","","0.71073","MoKα","","0.2642","0.0754","","","0.1846","0.2485","","","","","","0.805","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152550","10.39","0.002","17.643","0.003","8.429","0.002","92.81","0.02","113.88","0.01","90.83","0.01","1410.2","0.5","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","C31 H31 Br1 O2 Sn1","","","- C31 H31 Br O2 Sn -","- C31 H31 Br O2 Sn -","- C62 H62 Br2 O4 Sn2 -","2","1","","Hobson, Lindsay A.; Thomas, Eric J.","Concerning the 1,5-stereocontrol in tin(iv) chloride promoted reactions of 4- and 5-alkoxyalk-2-enylstannanes: trapping intermediate allyltin trichlorides using phenyllithium.","Organic & biomolecular chemistry","2012","10","37","7510","7526","10.1039/c2ob25765c","","","0.7107","MoKα","","0.0853","0.0403","","0.0473","0.0381","","","","1.744","1.724","1.724","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152551","10.7933","0.0014","16.163","0.002","13.5195","0.0019","90","","94.48","0.004","90","","2351.3","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H66 O6 Si3 -","- C43 H66 O6 Si3 -","- C86 H132 O12 Si6 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2282","0.1046","","","0.2684","0.3501","","","","","","1.024","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152552","14.316","0.003","15.96","0.004","16.397","0.004","90","","90","","90","","3746.4","1.5","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O8 Si2 -","- C34 H52 O8 Si2 -","- C136 H208 O32 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.1459","0.0784","","","0.2038","0.2354","","","","","","1.3","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152553","14.2378","0.0013","16.4937","0.0016","19.1231","0.0019","90","","90","","90","","4490.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O7 Si2 -","- C41 H59 N O7 Si2 -","- C164 H236 N4 O28 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.2039","0.0582","","","0.1235","0.1856","","","","","","0.997","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152554","10.1116","0.001","16.5521","0.0016","13.8615","0.0013","90","","99.705","0.003","90","","2286.8","0.4","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H65 N O6 Si2 -","- C46 H65 N O6 Si2 -","- C92 H130 N2 O12 Si4 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.0864","0.0439","","","0.0907","0.1052","","","","","","0.992","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152555","10.734","0.002","11.293","0.002","11.423","0.002","110.54","0.03","90.72","0.03","108.91","0.03","1214.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","1","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.1701","0.0814","","","0.2259","0.3089","","","","","","1.003","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152556","7.4889","0.0015","12.379","0.003","45.45","0.009","90","","90.04","0.03","90","","4213.4","1.6","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H61 N O6 Si2 -","- C40 H61 N O6 Si2 -","- C160 H244 N4 O24 Si8 -","4","2","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2755","0.1152","","","0.281","0.3674","","","","","","1.013","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152557","9.8965","0.0017","8.9206","0.0015","11.355","0.002","90","","113.274","0.002","90","","920.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C40 H44 Br2 N2 O6 -","2","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.049","0.0438","","","0.1007","0.102","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152558","10.0288","0.0013","15.96","0.002","16.609","0.002","90","","90","","90","","2658.4","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O3 -","- C32 H32 N2 O3 -","- C128 H128 N8 O12 -","4","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.0297","0.0291","","","0.0733","0.074","","","","","","1.039","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152559","16.8468","0.0003","14.7846","0.0002","24.5438","0.0004","90","","90","","90","","6113.2","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0489","0.0421","","","0.1072","0.1109","","","","","","1.075","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152560","24.4208","0.0004","11.8609","0.0002","29.0741","0.0005","90","","118","0.001","90","","7435.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H180 B8 Cl4 F16 N16 -","- C160.005 H180.004 B8 Cl4.0008 F16 N16 -","- C320.01 H360.008 B16 Cl8.0016 F32 N32 -","2","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0552","0.0438","","","0.1236","0.1326","","","","","","1.177","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152561","16.5658","0.0016","15.3933","0.0015","14.378","0.0012","90","","95.115","0.004","90","","3651.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B2 Cl3 F4 N4 -","- C39 H37 B2 Cl3 F4 N4 -","- C156 H148 B8 Cl12 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.1747","0.0951","","","0.1861","0.2128","","","","","","1.039","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152562","13.753","0.003","13.11","0.003","25.759","0.005","90","","119.635","0.003","90","","4036.9","1.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","- C160 H152 B8 Cl24 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.7107","MoKα","","0.0784","0.06","","","0.1569","0.1722","","","","","","1.078","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152563","11.0884","0.0003","23.5088","0.0009","13.9282","0.0005","90","","102.606","0.0014","90","","3543.2","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 B2 F4 N4 -","- C39 H44 B2 F4 N4 -","- C156 H176 B8 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.1076","0.0785","","","0.1978","0.2203","","","","","","1.059","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152564","7.944","0.003","10.964","0.004","13.432","0.004","98.902","0.013","93.514","0.013","104.888","0.014","1110.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 B2 Cl2 F4 N4 -","- C52 H50 B2 Cl2 F4 N4 -","- C52 H50 B2 Cl2 F4 N4 -","1","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.71075","MoKα","","0.1916","0.1653","","","0.3905","0.3974","","","","","","1.233","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152565","11.3126","0.0002","29.2235","0.0006","17.1103","0.0003","90","","92.3136","0.0011","90","","5651.95","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B2 Cl6 F4 N4 -","- C60 H62 B2 Cl6 F4 N4 -","- C240 H248 B8 Cl24 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0817","0.0667","","","0.1806","0.1916","","","","","","1.064","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152566","11.247","0.004","27.084","0.009","17.815","0.006","90","","94.678","0.006","90","","5409","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H65 B2 Cl F4 N4 -","- C64 H65 B2 Cl F4 N4 -","- C256 H260 B8 Cl4 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.7107","MoKα","","0.086","0.0619","","","0.1394","0.1538","","","","","","1.082","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152567","12.9946","0.0003","13.0045","0.0003","17.9199","0.0004","74.7391","0.0008","88.1657","0.0009","62.091","0.001","2566.87","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C123 H122 B4 Cl2 F8 N8 O -","- C123 H122 B4 Cl2 F8 N8 O -","- C123 H122 B4 Cl2 F8 N8 O -","1","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0595","0.0554","","","0.1527","0.1572","","","","","","1.085","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152568","24.4208","0.0005","11.8609","0.0003","27.8392","0.0005","90","","112.763","0.0008","90","","7435.7","0.3","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","2","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0547","0.0455","","","0.126","0.1302","","","","","","1.135","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152569","9.0943","0.001","11.3949","0.0012","16.064","0.0018","90.442","0.002","97.86","0.002","94.117","0.002","1644.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cl2 N2 O5 S2 -","- C33 H30 Cl2 N2 O5 S2 -","- C66 H60 Cl4 N4 O10 S4 -","2","1","","Yang, Yuan-Liang; Wei, Yin; Shi, Min","New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.","Organic & biomolecular chemistry","2012","10","36","7429","7438","10.1039/c2ob25932j","","","0.71073","MoKα","","0.0734","0.056","","","0.1503","0.1631","","","","","","1.057","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152570","13.424","0.002","9.9313","0.0018","20.607","0.004","90","","92.308","0.004","90","","2745.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br N O3 S -","- C31 H26 Br N O3 S -","- C124 H104 Br4 N4 O12 S4 -","4","1","","Yang, Yuan-Liang; Wei, Yin; Shi, Min","New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.","Organic & biomolecular chemistry","2012","10","36","7429","7438","10.1039/c2ob25932j","","","0.71073","MoKα","","0.179","0.0841","","","0.1619","0.1948","","","","","","1.034","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152571","11.4072","0.0009","10.0831","0.0004","10.674","0.0009","90","","117.075","0.011","90","","1093.18","0.17","150","","150","","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N12 -","- C20 H28 N12 -","- C40 H56 N24 -","2","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","1.54184","CuKα","","0.0876","0.083","","0.2574","0.2523","0.2574","","","","","","1.0816","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152572","5.5624","0.0002","9.412","0.0003","12.0631","0.0005","76.0194","0.0016","86.5052","0.0015","81.839","0.002","606.4","0.04","150","","150","","","","","","","","synthesized","3","P -1","-P 1","2","","","","- C26 H24 N12 -","- C26 H24 N12 -","- C26 H24 N12 -","1","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","0.71073","MoKα","","0.0692","0.0459","","0.1475","0.1185","0.1475","","","","","","0.9471","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152573","16.4629","0.001","10.8655","0.0008","15.7413","0.0011","90","","107.516","0.004","90","","2685.2","0.3","150","","150","","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N12 O3 -","- C26 H30 N12 O3 -","- C104 H120 N48 O12 -","4","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","0.71073","MoKα","","0.1124","0.0611","","0.1504","0.1206","0.1504","","","","","","0.995","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152574","7.67099","0.00016","18.1327","0.0005","14.7503","0.0003","90","","90.726","0.002","90","","2051.54","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B4 F16 N14 -","- C28 H46 B4 F16 N14 -","- C56 H92 B8 F32 N28 -","2","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","1.5418","CuKα","","0.0608","0.0463","","0.0826","0.0737","0.0826","","","","","","0.9762","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152575","25.438","0.002","10.671","0.0005","7.125","0.0002","90","","90","","90","","1934.07","0.19","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","(meso)1-methyl-2,5-diphenethylpyrrolidin-1-ium chloride","","- C21 H28 Cl N -","- C21 H28 Cl N -","- C84 H112 Cl4 N4 -","4","","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","1.54187","CuKα","","0.0718","0.0544","","","0.1467","0.1763","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152576","8.806","0.004","11.377","0.005","26.118","0.008","90","","90","","90","","2616.7","1.8","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1- phenylethanone)","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1-phenylethanone)","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","0.5","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","0.71069","MoKα","","0.0885","0.0635","","","0.1708","0.1925","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152577","9.0546","0.0007","13.7185","0.001","16.4462","0.0012","103.527","0.002","90.913","0.001","100.227","0.001","1951.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C90 H60 N12 O18 -","6","3","","Zhou, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","Synthesis of (Z)-3-aryloxy-acrylonitriles, (E)-3-aryloxy-acrylonitriles and 3-cyanobenzofurans through the sequential reactions of phenols with propiolonitriles.","Organic & biomolecular chemistry","2012","10","35","7184","7196","10.1039/c2ob25969a","","","0.71073","MoKα","","0.0811","0.0465","","","0.1457","0.1867","","","","","","1.01","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152578","8.6348","0.0006","14.476","0.0006","10.0498","0.0005","90","","101.186","0.005","90","","1232.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 N2 O3 -","- C15 H8 N2 O3 -","- C60 H32 N8 O12 -","4","1","","Zhou, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","Synthesis of (Z)-3-aryloxy-acrylonitriles, (E)-3-aryloxy-acrylonitriles and 3-cyanobenzofurans through the sequential reactions of phenols with propiolonitriles.","Organic & biomolecular chemistry","2012","10","35","7184","7196","10.1039/c2ob25969a","","","0.71073","MoKα","","0.0555","0.0378","","","0.0908","0.101","","","","","","1.023","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152579","6.6502","0.0019","8.0811","0.0019","18.466","0.005","80.28","0.03","84.36","0.03","66.24","0.03","894.7","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C44 H44 O4 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.1034","0.0579","","","0.1443","0.1664","","","","","","0.9","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152580","9.7328","0.001","11.2756","0.0008","35.715","0.004","90","","90","","90","","3919.5","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O2 Si2 -","- C20 H22 O2 Si2 -","- C160 H176 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0639","0.0402","","","0.1021","0.1109","","","","","","1.014","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152581","20.5765","0.0009","11.1441","0.0005","8.1245","0.0004","90","","98.927","0.001","90","","1840.43","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0553","0.0422","","","0.1121","0.1216","","","","","","1.072","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152582","60.024","0.005","11.4478","0.0008","8.7407","0.0006","90","","95.534","0.004","90","","5978.1","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 O3 Si2 -","- C20 H22 O3 Si2 -","- C240 H264 O36 Si24 -","12","3","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0688","0.0549","","","0.1359","0.1458","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152583","14.635","0.004","10.5599","0.0016","11.643","0.003","90","","94.5","0.03","90","","1793.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Si3 -","- C14 H26 Si3 -","- C56 H104 Si12 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0719","0.0425","","","0.0981","0.1084","","","","","","0.913","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152584","6.227","0.0008","10.0764","0.0018","14.0512","0.0019","90","","91.347","0.016","90","","881.4","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H24 O Si3 -","- C13 H24 O Si3 -","- C26 H48 O2 Si6 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0585","0.0433","","","0.1094","0.1232","","","","","","1.053","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152585","12.8871","0.0017","8.8099","0.0011","14.4156","0.0014","90","","116.374","0.012","90","","1466.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O2 Si2 -","- C13 H20 O2 Si2 -","- C52 H80 O8 Si8 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0541","0.0446","","","0.1194","0.1252","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152586","17.973","0.004","5.5806","0.0008","27.605","0.006","90","","90.75","0.03","90","","2768.5","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 O2 Si2 -","- C12 H18 O2 Si2 -","- C96 H144 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0417","0.037","","","0.1054","0.108","","","","","","1.104","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152587","10.3734","0.0006","11.1736","0.0007","36.103","0.002","90","","90","","90","","4184.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 O2 Si2 -","- C22 H24 O2 Si2 -","- C176 H192 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0634","0.0469","","","0.1125","0.1229","","","","","","1.03","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152588","24.717","0.002","4.8349","0.0004","15.6744","0.0013","90","","113.833","0.002","90","","1713.4","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H11 I N O2 -","- C6 H10 I N O2.25 -","- C48 H80 I8 N8 O18 -","8","2","","Deshmukh, Sharad Chandrakant; Roy, Arundhati; Talukdar, Pinaki","Diastereoselective construction of syn-α-oxyamines via three-component α-oxyaldehyde-dibenzylamine-alkyne coupling reaction: application in the synthesis of (+)-β-conhydrine and its analogues.","Organic & biomolecular chemistry","2012","10","37","7536","7544","10.1039/c2ob26007g","","","0.71073","MoKα","","0.037","0.03","","","0.0674","0.0716","","","","","","0.904","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152589","9.0684","0.0018","14.326","0.003","15.214","0.003","83.83","0.03","89.85","0.03","89.66","0.03","1965","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H39 N7 O6 -","- C44 H39 N7 O6 -","- C88 H78 N14 O12 -","2","1","","Zhang, Yuping; Jiang, Shimei","Fluoride-responsive gelator and colorimetric sensor based on simple and easy-to-prepare cyano-substituted amide.","Organic & biomolecular chemistry","2012","10","34","6973","6979","10.1039/c2ob26016f","","","0.71073","MoKα","","0.1633","0.0778","","","0.1998","0.2352","","","","","","1.019","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152590","8.157","0.0006","10.1367","0.0007","10.8698","0.0008","90","","101.185","0.001","90","","881.7","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sbudh01","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0351","0.0322","","","0.0931","0.0954","","","","","","1.077","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152591","7.8267","0.0006","11.7766","0.0008","26.1425","0.0019","90","","90","","90","","2409.6","0.3","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","sbudh02","","","- C13 H13 D3 N2 O5 -","- C13 H13 D3 N2 O5 -","- C104 H104 D24 N16 O40 -","8","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0577","0.0434","","","0.1174","0.1236","","","","","","1.053","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152592","5.276","0.0012","14.278","0.003","17.698","0.004","90","","90","","90","","1333.2","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 S -","- C11 H12 Br N O3 S -","- C44 H48 Br4 N4 O12 S4 -","4","1","","Yang, Wen; Du, Da-Ming","Squaramide-catalysed enantio- and diastereoselective sulfa-Michael addition of thioacetic acid to α,β-disubstituted nitroalkenes.","Organic & biomolecular chemistry","2012","10","34","6876","6884","10.1039/c2ob26068a","","","0.71073","MoKα","","0.0477","0.0316","","","0.0263","0.0278","","","","","","0.783","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152593","7.5526","0.0011","8.7285","0.0013","17.68","0.003","85.539","0.003","82.149","0.003","87.533","0.003","1150.5","0.3","291","2","291","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C23 H35 O3 Si -","- C23 H35 O3 Si -","- C46 H70 O6 Si2 -","2","1","","Mehta, Goverdhan; Samineni, Ramesh; Srihari, Pabbaraja; Reddy, R. Gajendra; Chakravarty, Sumana","Diverted organic synthesis (DOS): accessing a new, natural product inspired, neurotrophically active scaffold through an intramolecular Pauson-Khand reaction.","Organic & biomolecular chemistry","2012","10","34","6830","6833","10.1039/c2ob26107c","","","0.71073","MoKa","","0.19","0.1084","","","0.2088","0.243","","","","","","1.07","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152594","10.026","0.004","12.876","0.004","21.444","0.007","90","","90","","90","","2768.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F6 O6 S -","- C28 H24 F6 O6 S -","- C112 H96 F24 O24 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1436","0.0613","","","0.1065","0.136","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152595","10.186","0.003","12.692","0.004","10.984","0.003","90","","93.75","0.02","90","","1417","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 F6 O6 S -","- C28 H22 F6 O6 S -","- C56 H44 F12 O12 S2 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1793","0.0626","","","0.0912","0.1215","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152596","6.783","0.002","16.637","0.006","23.581","0.009","90","","90","","90","","2661.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F6 O7 -","- C28 H22 F6 O7 -","- C112 H88 F24 O28 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","1.54178","CuKα","","0.1033","0.069","","","0.1732","0.2055","","","","","","1.021","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152597","10.0397","0.0008","7.5575","0.0006","20.5113","0.0015","90","","97.104","0.002","90","","1544.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B Br O2 -","- C15 H20 B Br O2 -","- C60 H80 B4 Br4 O8 -","4","1","","Yuan, Weiming; Ma, Shengming","CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.","Organic & biomolecular chemistry","2012","10","36","7266","7268","10.1039/c2ob26147b","","","0.71073","MoKα","","0.0563","0.0369","","","0.0892","0.099","","","","","","1.036","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152598","12.1475","0.0011","6.0763","0.0006","24.653","0.002","90","","90.38","0.003","90","","1819.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B O2 -","- C19 H29 B O2 -","- C76 H116 B4 O8 -","4","1","","Yuan, Weiming; Ma, Shengming","CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.","Organic & biomolecular chemistry","2012","10","36","7266","7268","10.1039/c2ob26147b","","","0.71073","MoKα","","0.0651","0.0494","","","0.1186","0.1302","","","","","","1.056","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152599","7.6581","0.0001","8.0433","0.0002","50.1404","0.0007","90","","90","","90","","3088.47","0.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O -","- C21 H17 N O -","- C168 H136 N8 O8 -","8","1","","Jiang, Xin-Dong; Gao, Ruina; Yue, Yi; Sun, Guo-Tao; Zhao, Weili","A NIR BODIPY dye bearing 3,4,4a-trihydroxanthene moieties.","Organic & biomolecular chemistry","2012","10","34","6861","6865","10.1039/c2ob26218e","","","0.71073","MoKα","","0.1188","0.0937","","","0.2036","0.216","","","","","","1.152","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152600","8.8228","0.0003","20.4039","0.0007","9.9068","0.0004","90","","106.586","0.002","90","","1709.21","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Br N O3 -","- C19 H20 Br N O3 -","- C76 H80 Br4 N4 O12 -","4","1","","Börger, Carsten; Kataeva, Olga; Knölker, Hans-Joachim","Novel approach to biscarbazole alkaloids via Ullmann coupling - synthesis of murrastifoline-A and bismurrayafoline-A.","Organic & biomolecular chemistry","2012","10","36","7269","7273","10.1039/c2ob26229k","","","0.71073","MoKα","","0.0545","0.0335","","","0.0693","0.0733","","","","","","0.904","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152601","7.6851","0.0003","16.8705","0.0005","16.3611","0.0005","90","","90","","90","","2121.24","0.12","123","","123","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C28 H30 O -","- C28 H30 O -","- C112 H120 O4 -","4","0.5","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.051","0.0444","","","0.1234","0.1282","","","","","","1.059","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152602","8.1442","0.0003","4.8533","0.0002","27.81","0.0011","90","","94.01","0.004","90","","1096.53","0.07","123","","123","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O -","- C14 H16 O -","- C56 H64 O4 -","4","1","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.0464","0.0392","","","0.1094","0.1136","","","","","","1.051","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152603","18.3395","0.0006","19.6643","0.0005","8.8486","0.0002","90","","100.766","0.003","90","","3134.93","0.15","100","","100","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N2 O7 -","- C34 H42 N2 O7 -","- C136 H168 N8 O28 -","4","1","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","0.6889","synchrotron","","0.086","0.0738","","0.1692","0.158","0.1692","","","","","","0.9337","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152604","9.0382","0.0004","16.6844","0.0006","19.2103","0.0012","79.817","0.004","77.978","0.004","89.217","0.003","2787.9","0.2","150","","150","","","","","","","","synthesized","5","P 1","P 1","1","","","","- C51.5 H74.5 Cl5.5 N4 O7 -","- C51.5 H74.5 Cl5.5 N4 O7 -","- C103 H149 Cl11 N8 O14 -","2","2","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","1.5418","CuKα","","0.121","0.1155","","0.3195","0.3081","0.3195","","","","","","1.4241","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152605","5.9235","0.0003","8.7289","0.0005","41.0305","0.0019","90","","90","","90","","2121.51","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O2 S -","- C25 H2 O2 S -","- C100 H8 O8 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.107","","","","0.3185","","","","","","2.022","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152606","5.7153","0.0008","7.9637","0.0012","32.145","0.005","90","","90","","90","","1463.1","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 O S -","- C68 O4 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.0953","","","","0.2809","","","","","","1.65","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152607","9.1969","0.001","11.1313","0.0012","12.8767","0.0014","90","","100.477","0.002","90","","1296.3","0.2","100","0.5","100","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ritmc01","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.055","0.0417","","","0.1139","0.1247","","","","","","1.018","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152608","8.0488","0.0008","12.3096","0.0012","14.1598","0.0014","104.845","0.002","101.999","0.002","92.355","0.002","1319.8","0.2","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc04","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.1102","0.0575","","","0.1259","0.1515","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152609","23.271","0.003","7.479","0.0011","25.546","0.004","90","","99.779","0.002","90","","4381.5","1.1","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ritmc06","","","- C21 H30 O5 Si -","- C21 H30 O5 Si -","- C168 H240 O40 Si8 -","8","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.1073","0.0516","","","0.1164","0.1425","","","","","","1","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152610","7.9801","0.0005","9.5704","0.0006","11.5449","0.0007","105.321","0.001","108.834","0.001","101.854","0.001","762.94","0.08","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc08","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.0672","0.0492","","","0.1323","0.1457","","","","","","1.046","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152611","8.3285","0.0005","9.7137","0.0006","10.228","0.0006","102.466","0.001","109.023","0.001","97.827","0.001","744.45","0.08","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc09","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.0867","0.0497","","","0.1189","0.1404","","","","","","1.02","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152612","5.551","0.003","11.084","0.006","24.666","0.014","90","","90","","90","","1517.6","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Yang, Lihua; Xie, Peizhong; Li, Erqing; Li, Xin; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: an efficient method for the synthesis of highly functionalized spirooxazolines.","Organic & biomolecular chemistry","2012","10","37","7628","7634","10.1039/c2ob26338f","","","0.71073","MoKα","","0.0602","0.0483","","","0.0872","0.0927","","","","","","1.021","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152613","8.6996","0.0003","9.4687","0.0003","11.8581","0.0004","87.36","0.002","71.996","0.001","77.073","0.001","905.14","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 N O8 -","- C22 H13 N O8 -","- C44 H26 N2 O16 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0571","0.0453","","","0.1158","0.1239","","","","","","1.043","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152614","16.028","0.0012","14.4028","0.0012","21.1809","0.0018","90","","90","","90","","4889.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 N O6 -","- C32 H23 N O6 -","- C256 H184 N8 O48 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0823","0.0553","","","0.1514","0.1638","","","","","","1.032","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152615","8.9975","0.0008","10.6797","0.0011","11.4242","0.0017","107.022","0.008","99.434","0.008","111.65","0.005","928.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O9 -","- C20 H18 O9 -","- C40 H36 O18 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.082","0.0465","","","0.1176","0.1294","","","","","","1.052","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152616","11.3807","0.0005","8.1698","0.0004","40.685","0.0016","90","","90","","90","","3782.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 O10 -","- C20 H18 O10 -","- C160 H144 O80 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0611","0.0516","","","0.1209","0.1248","","","","","","1.09","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152617","10.7404","0.0019","7.6871","0.0015","12.188","0.002","90","","91.526","0.012","90","","1005.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 F7 O7 -","- C20 H13 F7 O7 -","- C40 H26 F14 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0564","0.0397","","","0.0895","0.0975","","","","","","1.025","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152618","22.8935","0.0006","8.2045","0.0002","21.6152","0.0005","90","","98.132","0.001","90","","4019.15","0.17","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 F O7 -","- C23 H17 F O7 -","- C184 H136 F8 O56 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0772","0.0492","","","0.1252","0.1353","","","","","","1.047","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152619","18.4149","0.0009","5.8081","0.0003","21.3309","0.0012","90","","96.645","0.003","90","","2266.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C116 H80 O12 S4 -","4","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1405","0.0612","","","0.1038","0.1322","","","","","","1.029","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152620","8.0894","0.0004","8.8477","0.0004","11.6944","0.0005","95.198","0.002","97.489","0.002","90.9","0.002","826.13","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O6 -","- C22 H14 O6 -","- C44 H28 O12 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0703","0.0436","","","0.1064","0.1233","","","","","","1.043","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152621","10.5603","0.0005","8.7419","0.0004","25.2998","0.0011","90","","94.71","0.002","90","","2327.72","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H24 O3.5 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0915","0.0527","","","0.1121","0.126","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152622","9.4746","0.0004","10.2347","0.0004","11.4323","0.0004","65.728","0.002","71.993","0.002","82.309","0.002","961.06","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O7 -","- C23 H18 O7 -","- C46 H36 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.07","0.0461","","","0.1131","0.128","","","","","","1.032","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152623","36.4369","0.0012","40.2125","0.0014","6.8319","0.0002","90","","90","","90","","10010.2","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H21 N O5 -","- C31 H21 N O5 -","- C496 H336 N16 O80 -","16","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0894","0.0519","","","0.0914","0.1055","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152624","7.6625","0.0007","22.434","0.002","25.438","0.003","90","","90","","90","","4372.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C232 H160 O24 S8 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1469","0.0646","","","0.1225","0.1549","","","","","","1.003","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152625","8.6837","0.0003","12.849","0.0004","13.8588","0.0005","103.171","0.002","93.108","0.002","106.795","0.002","1429.42","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium trifluoroacetate","","- C15 H14 F3 N O3 -","- C15 H14 F3 N O3 -","- C60 H56 F12 N4 O12 -","4","2","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0772","0.0704","","","0.1572","0.163","","","","","","1.153","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152626","9.9646","0.0004","11.9986","0.0005","19.3145","0.0007","90","","90","","90","","2309.27","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C104 H112 Cl8 N8 O8 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0569","0.0447","","","0.0928","0.098","","","","","","1.138","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152627","18.5849","0.0007","9.1076","0.0003","19.5453","0.0008","90","","112.68","0.002","90","","3052.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,5 -dioxocyclopentan-1-ide monohydrate","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","2","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0777","0.0503","","","0.1149","0.1272","","","","","","1.037","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152628","8.4223","0.0002","9.4076","0.0003","10.8996","0.0003","85.508","0.002","73.336","0.002","68.462","0.002","769.22","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6- dioxocyclohexan-1-ide monhydrate","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0577","0.0434","","","0.105","0.1141","","","","","","1.028","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152629","9.6118","0.0004","10.0248","0.0006","18.7717","0.001","90","","103.18","0.003","90","","1761.13","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-4,4- dimethyl-2,6-dioxocyclohexan-1-ide","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.1063","0.0597","","","0.1305","0.1583","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152630","8.336","0.0004","8.7036","0.0003","12.122","0.0006","89.456","0.003","85.19","0.002","65.248","0.003","795.56","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0631","0.0489","","","0.1265","0.135","","","","","","1.108","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152631","8.8717","0.0003","11.5384","0.0003","15.619","0.0005","90","","95.98","0.003","90","","1590.14","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0529","0.0387","","","0.0933","0.0966","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152632","10.1338","0.0003","16.0686","0.0005","10.9554","0.0004","90","","95.661","0.003","90","","1775.23","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1!,1!-Diethyl-1!,2!-dihydrobenzo[cd]indol-1!-ium-2!-yl)-4,6- dioxo-1,3-dioxan-5-ide","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0554","0.0376","","","0.0901","0.0942","","","","","","1.023","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152633","6.827","0.0004","8.763","0.0005","13.1899","0.0007","102.408","0.004","98.689","0.004","94.696","0.003","756.45","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1(1-(dimethylamino)naphth-8-yl)-2,2-bis(acetyl)ethene","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.095","0.0571","","","0.1261","0.1392","","","","","","1.056","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152634","31.2818","0.0006","7.0957","0.0001","16.7814","0.0003","90","","107.374","0.001","90","","3554.96","0.11","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1!-Ethyl-2,2,2!-trimethyl-2!,4!-dihydro-1!H-spiro((1,3)dioxane- 5,3!-naphtho[1,8-bc]azepine)-4,6-dione","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0531","0.0447","","","0.1151","0.1204","","","","","","1.102","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152635","15.0771","0.0005","6.6633","0.0002","15.52","0.0006","90","","109.378","0.004","90","","1470.86","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Ethyl-2-methyl-1,2-dihydronaphtho[1,8-bc]azepine-3,3(4H)-dicarbonitrile","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0496","0.0381","","","0.0949","0.0981","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152636","15.9448","0.0012","7.743","0.0006","26.4365","0.0018","90","","90","","90","","3263.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1!-Methyl-2!,4!-dihydro-1!H-spiro(indene-2,3!-naphtho[1,8-bc]azepine)-1,3-dione","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0919","0.0472","","","0.1088","0.1192","","","","","","0.993","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152637","8.8403","0.0005","11.1099","0.0007","35.459","0.002","90","","90","","90","","3482.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 N O11 P2 -","- C30 H43 N O11 P2 -","- C120 H172 N4 O44 P8 -","4","1","","Zhao, Mei-Xin; Dai, Tong-Lei; Liu, Ran; Wei, Deng-Ke; Zhou, Hao; Ji, Fei-Hu; Shi, Min","Enantioselective Michael addition of 3-aryloxindoles to a vinyl bisphosphonate ester catalyzed by a cinchona alkaloid derived thiourea catalyst.","Organic & biomolecular chemistry","2012","10","39","7970","7979","10.1039/c2ob25966d","","","0.71073","MoKα","","0.0632","0.054","","","0.1483","0.1578","","","","","","1.058","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152638","9.5751","0.0003","14.6142","0.0005","10.3886","0.0003","90","","102.503","0.002","90","","1419.23","0.08","100","","100","","","","","","","","LOC ETH Zurich","6","P 1 21 1","P 2yb","4","","","","- C31 H25 N O4 S2 Si -","- C31 H25 N O4 S2 Si -","- C62 H50 N2 O8 S4 Si2 -","2","1","","Wu, Yi-Lin; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Frank, Brian B.; Spada, Gian Piero; Diederich, François","1,2-Di(phenylethynyl)ethenes with axially chiral, 2,2'-bridged 1,1'-binaphthyl substituents: potent cholesteric liquid-crystal inducers.","Organic & biomolecular chemistry","2012","10","39","8016","8026","10.1039/c2ob25983d","","","0.71073","MoKα","","0.0411","0.0371","","","0.0911","0.0943","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152639","9.243","0.003","7.153","0.002","8.902","0.003","90","","91.489","0.004","90","","588.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","","Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.","Organic & biomolecular chemistry","2012","10","40","8055","8058","10.1039/c2ob25996f","","","0.71073","MoKα","","0.037","0.0346","","","0.0943","0.0965","","","","","","1.053","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152640","5.65","0.0016","7.884","0.002","9.777","0.003","110.051","0.003","90.33","0.004","109.728","0.003","381.45","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C14 H24 N4 O4 -","2","1","","Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.","Organic & biomolecular chemistry","2012","10","40","8055","8058","10.1039/c2ob25996f","","","0.71073","MoKα","","0.0367","0.0353","","","0.0954","0.0965","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152641","32.024","0.003","10.619","0.0009","21.2363","0.0015","90","","90.467","0.003","90","","7221.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Cl2 N5 O11 Zn -","- C33 H39 Cl2 N5 O11 Zn -","- C264 H312 Cl16 N40 O88 Zn8 -","8","1","","Rao, Alla Sreenivasa; Singha, Subhankar; Choi, Wonyoung; Ahn, Kyo Han","Studies on acedan-based mononuclear zinc complexes toward selective fluorescent probes for pyrophosphate.","Organic & biomolecular chemistry","2012","10","42","8410","8417","10.1039/c2ob26000j","","","0.71073","MoKα","","0.1454","0.0599","","","0.1148","0.1449","","","","","","0.997","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152642","15.2071","0.0006","31.4686","0.0013","15.2236","0.0006","90","","97.554","0.004","90","","7222","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5,10,15,20-tetratolyl-2-aza-3,21-bis(diphenylphosphoryl)-21- carbaporphiryn 3.25 dichloromethane solvate","5,10,15,20-tetratolyl-2-aza-3,21-bis(diphenylphosphoryl)-21-carbaporphiryn 3.25 dichloromethane solvate","","- C75.25 H62.5 Cl6.5 N4 O2 P2 -","- C74 H60 Cl4 N4 O2 P2 -","- C296 H240 Cl16 N16 O8 P8 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.211","0.0996","","","0.2146","0.2344","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152643","22.7262","0.0008","9.7497","0.0004","29.1825","0.0015","90","","122.445","0.003","90","","5456.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Silver(III) complex of 5,10,15,20-tetratolyl-2-aza-3-diphenylphosphoryl-21-carbaporphiryn hexane and dichloromethane solvate","","- C67.1 H70.2 Ag Cl2.2 Cs0 N4 O P -","- C61.1 H46.2 Ag Cl2.2 N4 O P -","- C244.4 H184.8 Ag4 Cl8.8 N16 O4 P4 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.1919","0.0579","","","0.0901","0.0976","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152644","14.482","0.003","13.25","0.003","29.776","0.007","90","","116.67","0.03","90","","5106","2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","5,10,15,20-tetratolyl-2-aza-21-diphenylthiophosphoryl-21-carbaporphiryn 2.6 dichloromethane solvate","","- C122.58 H99.16 Cl5.16 N8 P2 S2 -","- C122.581 H99.162 Cl5.162 N8 P2 S2 -","- C245.162 H198.324 Cl10.324 N16 P4 S4 -","2","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.0947","0.0627","","","0.1517","0.1615","","","","","","1.001","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152645","14.678","0.004","15.687","0.004","20.796","0.006","90","","100.53","0.03","90","","4708","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,10,15,20-Tetratolyl-2-aza-21-carbaporphiryno-21-diphenylphosphinodithioate","","- C60 H47 N4 P S2 -","- C60 H47 N4 P S2 -","- C240 H188 N16 P4 S8 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.1149","0.0553","","","0.1111","0.1174","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152646","11.966","0.002","10.7644","0.0019","17.134","0.003","90","","107.503","0.003","90","","2104.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F N3 O2 -","- C23 H22 F N3 O2 -","- C92 H88 F4 N12 O8 -","4","1","","Nair, Vijay; Jose, Anu; Lakshmi, K. C. Seetha; Rajan, Rejithamol; Suresh, Eringathodi","A facile four component protocol for the synthesis of dihydropyridine derivatives.","Organic & biomolecular chemistry","2012","10","38","7747","7752","10.1039/c2ob26074c","","","0.71073","MoKα","","0.1192","0.105","","","0.2015","0.208","","","","","","1.343","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152647","19.2003","0.0006","6.7203","0.0002","11.034","0.0004","90","","99.379","0.002","90","","1404.7","0.08","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","0.5","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.0561","0.0439","","","0.1176","0.1261","","","","","","1.069","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152648","13.913","0.004","13.475","0.004","8.404","0.003","90","","94.246","0.009","90","","1571.2","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O9 -","- C16 H15 N O9 -","- C64 H60 N4 O36 -","4","1","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.1857","0.0497","","","0.0821","0.116","","","","","","0.874","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152649","8.4652","0.0002","9.605","0.0002","9.634","0.0002","111.536","0.001","90.649","0.002","98.224","0.002","719.41","0.03","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.0665","0.0421","","","0.115","0.1269","","","","","","1.017","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152650","10.659","0.0014","11.1175","0.0008","11.4796","0.0008","115.03","0.003","100.751","0.004","101.47","0.004","1150.5","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H24 N2 O4 Se -","- C28 H23.5 N2 O4 Se -","- C56 H47 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0524","0.0343","","","0.0784","0.0851","","","","","","1.014","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152651","21.023","0.002","13.153","0.002","11.8836","0.0018","90","","121.836","0.007","90","","2791.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H16 Br2 N2 O6 Se -","- C27 H16 Br2 N2 O6 Se -","- C108 H64 Br8 N8 O24 Se4 -","4","0.5","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.1612","0.0638","","","0.1485","0.1843","","","","","","0.961","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152652","27.425","0.006","5.1133","0.0009","17.468","0.004","90","","109.987","0.013","90","","2302","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O2 Se -","- C28 H24 N2 O2 Se -","- C112 H96 N8 O8 Se4 -","4","0.5","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.1427","0.0513","","","0.1194","0.1565","","","","","","0.93","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152653","10.1344","0.0003","10.3521","0.0003","12.1801","0.0004","82.512","0.002","78.896","0.002","79.956","0.002","1228.5","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H N2 O4 Se -","- C28 H21.5 N2 O4 Se -","- C56 H43 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0761","0.0429","","","0.1011","0.1155","","","","","","1.01","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152654","15.0038","0.0007","9.2872","0.0004","17.4994","0.0007","90","","105.64","0.002","90","","2348.14","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O4 Se -","- C28 H22 N2 O4 Se -","- C112 H88 N8 O16 Se4 -","4","1","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0401","0.0263","","","0.0592","0.0651","","","","","","1.007","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152655","9.7433","0.0003","11.3443","0.0004","18.273","0.0007","90","","90","","90","","2019.73","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O8 -","- C18 H20 Cl N O8 -","- C72 H80 Cl4 N4 O32 -","4","1","","Guo, Zhi-Wei; Xie, Jian-Wu; Chen, Ce; Zhu, Wei-Dong","Asymmetric catalytic [4 + 1] annulations catalyzed by quinidine: enantioselective synthesis of multi-functionalized isoxazoline N-oxides.","Organic & biomolecular chemistry","2012","10","42","8471","8477","10.1039/c2ob26165k","","","0.71073","MoKα","","","0.0525","","","0.1088","0.1305","","","","","","1.024","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152656","6.4262","0.0003","9.951","0.0003","10.4639","0.0004","73.787","0.002","86.704","0.002","75.894","0.002","623.11","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F5 N O4 -","- C10 H10 F5 N O4 -","- C20 H20 F10 N2 O8 -","2","1","","Kondratov, Ivan S.; Dolovanyuk, Violetta G.; Tolmachova, Nataliya A.; Gerus, Igor I.; Bergander, Klaus; Fröhlich, Roland; Haufe, Günter","Reactions of β-alkoxyvinyl polyfluoroalkyl ketones with ethyl isocyanoacetate and its use for the synthesis of new polyfluoroalkyl pyrroles and pyrrolidines.","Organic & biomolecular chemistry","2012","10","44","8778","8785","10.1039/c2ob26176f","","","0.71073","MoKα","","0.0763","0.0646","","","0.1438","0.1566","","","","","","1.066","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152657","7.2879","0.0001","18.6931","0.0003","21.3386","0.0004","90","","90","","90","","2907.03","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl2 Pd2 -","- C28 H42 Cl2 Pd2 -","- C112 H168 Cl8 Pd8 -","4","1","","Fernandes, Rodney A.; Nallasivam, Jothi L.","Enantioselective allylation of imines catalyzed by newly developed (-)-β-pinene-based π-allylpalladium catalyst: an efficient synthesis of (R)-α-propylpiperonylamine and (R)-pipecolic acid.","Organic & biomolecular chemistry","2012","10","38","7789","7800","10.1039/c2ob26188j","","","0.71073","MoKα","","0.029","0.0255","","","0.0625","0.0632","","","","","","1.005","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152658","18.8854","0.0016","18.8854","0.0016","12.9167","0.0011","90","","90","","120","","3989.6","0.6","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C25 H31 N O9 -","- C25 H31 N O9 -","- C150 H186 N6 O54 -","6","1","","Huang, Xiao-Fei; Liu, Zhao-Min; Geng, Zhi-Cong; Zhang, Shao-Yun; Wang, Yong; Wang, Xing-Wang","Enantioselective construction of multifunctionalized spirocyclohexaneoxindoles through organocatalytic Michael-Aldol cyclization of isatin derived alkenes with linear dialdehydes.","Organic & biomolecular chemistry","2012","10","44","8794","8799","10.1039/c2ob26205c","","","0.7107","MoKα","","0.0961","0.0819","","","0.2295","0.2389","","","","","","1.091","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152659","17.79","0.004","20.166","0.004","6.7371","0.0013","90","","90","","90","","2417","0.9","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C13 H6 F3 N3 S -","- C13 H6 F2.97 N3 S -","- C104 H48 F23.76 N24 S8 -","8","","","Zhang, Xinhai; Jia, Jiong; Ma, Chen","A one-pot regioselective synthesis of benzo[d]imidazo[2,1-b]thiazoles.","Organic & biomolecular chemistry","2012","10","39","7944","7948","10.1039/c2ob26211h","","","0.71073","MoKα","","0.045","0.0317","","","0.076","0.0841","","","","","","1.038","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152660","18.198","0.004","13.615","0.003","17.77","0.004","90","","94.937","0.003","90","","4386.5","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 N7 O5 -","- C49 H45 N7 O5 -","- C196 H180 N28 O20 -","4","1","","Huang, Liang; Hou, Fengping; Cheng, Ju; Xi, Pinxian; Chen, Fengjuan; Bai, Decheng; Zeng, Zhengzhi","Selective off-on fluorescent chemosensor for detection of Fe(3+) ions in aqueous media.","Organic & biomolecular chemistry","2012","10","48","9634","9638","10.1039/c2ob26258d","","","0.71073","MoKα","","0.0937","0.0538","","","0.1546","0.1854","","","","","","1.102","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152661","13.6753","0.0018","8.3473","0.0011","15.493","0.002","90","","90","","90","","1768.6","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0766","0.0541","","","0.1323","0.1484","","","","","","1.027","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152662","7.1538","0.0006","8.3848","0.0007","15.2827","0.0013","78.938","0.001","87.667","0.001","75.921","0.001","872.63","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br Cl N2 O3 -","- C18 H14 Br Cl N2 O3 -","- C36 H28 Br2 Cl2 N4 O6 -","2","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0514","0.0431","","","0.1072","0.1128","","","","","","1.04","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152663","19.125","0.005","7.3751","0.0019","22.492","0.006","90","","90","","90","","3172.5","1.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C144 H128 N16 O24 -","8","2","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0598","0.0521","","","0.1346","0.1442","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152664","15.8541","0.0016","7.1382","0.0007","16.7066","0.0017","90","","114.406","0.002","90","","1721.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0462","0.0438","","","0.1219","0.1245","","","","","","1.018","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152665","12.238","0.004","8.006","0.003","28.867","0.01","90","","90","","90","","2828.3","1.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.1151","0.0641","","","0.159","0.1919","","","","","","1.062","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152666","8.853","0.007","15.935","0.013","17.189","0.014","113.95","0.004","100.455","0.008","100.051","0.009","2095","3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H40 Cl2 S8 Si2 -","- C35 H40 Cl2 S8 Si2 -","- C70 H80 Cl4 S16 Si4 -","2","1","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.1067","0.0834","","","0.2162","0.2453","","","","","","1.075","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152667","10.433","0.008","12.641","0.008","12.954","0.008","66.52","0.03","73.94","0.02","83.87","0.03","1505.8","1.8","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 S8 -","- C32 H26 S8 -","- C64 H52 S16 -","2","1","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.1235","0.0987","","","0.2593","0.3004","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152668","20.472","0.008","9.432","0.003","15.9","0.006","90","","93.519","0.005","90","","3064.4","1.9","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 S8 -","- C32 H26 S8 -","- C128 H104 S32 -","4","0.5","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.0586","0.0568","","","0.1624","0.1647","","","","","","1.182","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152669","10.667","0.002","9.913","0.002","20.138","0.004","90","","111.543","0.009","90","","1980.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O4 P S -","- C21 H23 O4 P S -","- C84 H92 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0728","0.0697","","","0.1355","0.1371","","","","","","1.301","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152670","9.127","0.002","17.133","0.003","12.58","0.003","90","","93.34","0.02","90","","1963.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O4 P S -","- C21 H23 O4 P S -","- C84 H92 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0822","0.0415","","","0.0871","0.0963","","","","","","0.871","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152671","12.3185","0.0007","12.0813","0.0007","18.8019","0.0008","90","","130.587","0.002","90","","2125","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 O5 P S -","- C22 H25 O5 P S -","- C88 H100 O20 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.08","0.0687","","","0.1544","0.1606","","","","","","1.168","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152672","5.952","0.002","9.834","0.004","36.141","0.014","90","","94.321","0.007","90","","2109.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 O5 P S -","- C22 H25 O5 P S -","- C88 H100 O20 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0797","0.0593","","","0.1458","0.1616","","","","","","1.077","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152673","6.8884","0.0005","22.6134","0.0016","11.3005","0.0007","90","","111.284","0.003","90","","1640.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O4 P S -","- C16 H21 O4 P S -","- C64 H84 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0542","0.0497","","","0.1166","0.1195","","","","","","1.132","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152674","21.0466","0.0015","11.4539","0.0008","9.9034","0.0007","90","","91.019","0.001","90","","2387","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O4 P -","- C28 H27 N2 O4 P -","- C112 H108 N8 O16 P4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0508","0.0474","","","0.1156","0.1178","","","","","","1.082","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152675","9.0438","0.0008","12.1015","0.0012","14.1578","0.0014","98.54","0.05","108.13","0.04","110.06","0.03","1325.5","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N4 O3 -","- C29 H32 N4 O3 -","- C58 H64 N8 O6 -","2","1","","Wang, Jingze; Yang, Qiwu; Song, Haibin; Zhang, Wenqin","A fluorescent probe of N'-formyl-rhodamine B hydrazide: structure and spectral properties of protonation behaviour.","Organic & biomolecular chemistry","2012","10","38","7677","7680","10.1039/c2ob26288f","","","0.71073","MoKα","","0.0652","0.0424","","","0.0954","0.1037","","","","","","0.94","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152676","8.3211","0.0005","9.7981","0.0006","10.1922","0.0006","73.183","0.002","70.006","0.002","85.591","0.002","747.27","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Chen, Bo; Wang, Nan; Fan, Wu; Ma, Shengming","Efficient synthesis of N-(buta-2,3-dienyl) amides from terminal N-propargyl amides and their synthetic potential towards oxazoline derivatives.","Organic & biomolecular chemistry","2012","10","42","8465","8470","10.1039/c2ob26291f","","","0.71073","MoKα","","0.0494","0.0374","","","0.0934","0.1008","","","","","","1.065","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152677","37.471","0.004","23.257","0.003","23.235","0.003","90","","90","","90","","20248","4","100","2","100","2","","","","","","","Jenny Hiscock","5","P n a 21","P 2c -2n","33","","","","- C160 H354 N18 O46 P8 -","- C160 H330 N18 O46 P8 -","- C640 H1320 N72 O184 P32 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1476","0.1207","","","0.313","0.3509","","","","","","1.257","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152678","8.515","0.005","19.245","0.01","21.792","0.012","72.207","0.019","83.15","0.03","80.58","0.02","3345","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1","P 1","1","","","","- C71 H101 N9 O6 -","- C71 H101 N9 O6 -","- C142 H202 N18 O12 -","2","2","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.111","0.0951","","","0.1811","0.191","","","","","","1.164","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152679","21.771","0.011","8.336","0.004","21.888","0.011","90","","119.815","0.005","90","","3447","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1 n 1","P -2yac","7","","","","- C72 H105 N9 O7 -","- C72 H105 N9 O7 -","- C144 H210 N18 O14 -","2","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.116","0.0956","","","0.1508","0.1706","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152680","18.588","0.008","13.759","0.006","23.034","0.01","90","","96.793","0.006","90","","5850","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H93 N9 O6 S -","- C58 H93 N9 O6 S -","- C232 H372 N36 O24 S4 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1849","0.1126","","","0.264","0.3135","","","","","","1.108","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152681","11.756","","14.575","","11.52","","90","","90","","90","","1973.88","","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 Br O5 -","- C22 H17 Br O5 -","- C88 H68 Br4 O20 -","4","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.092","0.0394","","","0.0809","0.0971","","","","","","0.986","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152682","9.7129","0.0016","10.5113","0.0017","10.7041","0.0017","107.55","0.002","105.744","0.002","98.461","0.002","971.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 Cl O5 -","- C22 H17 Cl O5 -","- C44 H34 Cl2 O10 -","2","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.0618","0.0499","","","0.1514","0.1632","","","","","","1.086","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152683","13.17","0.0007","12.2955","0.0005","20.5036","0.0009","90","","103.669","0.005","90","","3226.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N5 O -","- C37 H45 N5 O -","- C148 H180 N20 O4 -","4","1","","Gotor, Raúl; Costero, Ana M.; Gil, Salvador; Parra, Margarita; Ochando, Luis E.; Chulvi, Katherine","Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles.","Organic & biomolecular chemistry","2012","10","42","8445","8451","10.1039/c2ob26309b","","","0.71073","MoKα","","0.1243","0.0603","","","0.1196","0.1513","","","","","","1.035","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152684","10.051","0.003","10.22","0.005","20.088","0.007","76.98","0.04","76.86","0.03","86.88","0.03","1957.8","1.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 N6 O2 -","- C46 H54 N6 O2 -","- C92 H108 N12 O4 -","2","1","","Gotor, Raúl; Costero, Ana M.; Gil, Salvador; Parra, Margarita; Ochando, Luis E.; Chulvi, Katherine","Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles.","Organic & biomolecular chemistry","2012","10","42","8445","8451","10.1039/c2ob26309b","","","0.71073","MoKα","","0.2362","0.1","","","0.1336","0.1997","","","","","","0.972","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152685","9.7636","0.0008","9.9508","0.0009","11.0156","0.0013","108.945","0.002","99.716","0.001","104.409","0.001","943.33","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N4 O5.5 -","- C24 H22 N2 O -","- C48 H44 N4 O2 -","2","1","","Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang","A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.","Organic & biomolecular chemistry","2012","10","42","8533","8538","10.1039/c2ob26315g","","","0.71073","MoKα","","0.0832","0.0527","","","0.1306","0.1448","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152686","9.8221","0.0009","10.078","0.001","11.4409","0.0012","109.877","0.002","103.016","0.001","102.588","0.001","982.6","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C46 H38 Cl2 N4 O2 -","2","1","","Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang","A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.","Organic & biomolecular chemistry","2012","10","42","8533","8538","10.1039/c2ob26315g","","","0.71073","MoKα","","0.0908","0.0489","","","0.1012","0.1139","","","","","","1.041","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152687","11.7549","0.0006","13.7175","0.0009","20.1662","0.0013","84.294","0.003","75.25","0.004","89.894","0.004","3128.1","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 Cl N O2 Si -","- C33 H44 Cl N O2 Si -","- C132 H176 Cl4 N4 O8 Si4 -","4","2","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.1063","0.0729","","","0.1677","0.1828","","","","","","1.128","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152688","7.7031","0.0003","9.8991","0.0006","15.8805","0.0008","90","","98.831","0.003","90","","1196.59","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H41 N O2 Si -","- C24 H41 N O2 Si -","- C48 H82 N2 O4 Si2 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0586","0.0439","","","0.1016","0.1107","","","","","","1.048","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152689","9.6609","0.0009","11.5354","0.0011","9.136","0.0005","90","","90","","90","","1018.14","0.15","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0803","0.0401","","","0.0754","0.0878","","","","","","0.982","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152690","8.4675","0.0015","11.662","0.002","8.682","0.0016","90","","103.279","0.005","90","","834.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.6885","synchrotron","","0.0745","0.0643","","","0.1524","0.1555","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152691","5.7251","0.001","12.062","0.002","12.371","0.002","82.492","0.003","80.563","0.003","81.462","0.003","828.4","0.2","25","","25","","","","","","","","","4","P -1","-P 1","2","carboline","(3-benzyl-2-ethyl-7-methoxy-9H-pyrido[2,3-b]indole)","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Basavaiah, Deevi; Mallikarjuna Reddy, Daggula","Baylis-Hillman acetates in organic synthesis: convenient one-pot synthesis of α-carboline framework - a concise synthesis of neocryptolepine.","Organic & biomolecular chemistry","2012","10","44","8774","8777","10.1039/c2ob26339d","","","0.71073","MoKα","","0.0793","0.0601","","","0.1227","0.1314","","","","","","1.15","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152692","7.9981","0.0014","10.353","0.0018","16.174","0.003","90","","92.804","0.003","90","","1337.7","0.4","25","","25","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-[2-Cyano-2-(2-nitrophenyl)]ethylcyclohex-2-en-1-one)","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Basavaiah, Deevi; Mallikarjuna Reddy, Daggula","Baylis-Hillman acetates in organic synthesis: convenient one-pot synthesis of α-carboline framework - a concise synthesis of neocryptolepine.","Organic & biomolecular chemistry","2012","10","44","8774","8777","10.1039/c2ob26339d","","","0.71073","MoKα","","0.0637","0.0585","","","0.1535","0.1589","","","","","","0.948","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152693","26.28","0.01","10.188","0.004","16.786","0.006","90","","124.377","0.007","90","","3709","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C160 H168 N24 O16 S8 -","8","1","","Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying","A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.","Organic & biomolecular chemistry","2012","10","43","8640","8644","10.1039/c2ob26375k","","","0.71073","MoKα","","0.1492","0.0624","","","0.1474","0.1924","","","","","","0.989","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152694","14.8086","0.0016","8.8273","0.001","12.8851","0.0014","90","","108.871","0.002","90","","1593.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying","A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.","Organic & biomolecular chemistry","2012","10","43","8640","8644","10.1039/c2ob26375k","","","0.71073","MoKα","","0.0649","0.0459","","","0.1328","0.153","","","","","","0.959","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152695","10.673","0.005","8.677","0.004","12.475","0.006","90","","90.403","0.007","90","","1155.3","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H20 Cl N3 O2 S -","- C27 H20 Cl N3 O2 S -","- C54 H40 Cl2 N6 O4 S2 -","2","1","","Jiang, Lingyong; Yu, Xingxin; Fang, Bing; Wu, Jie","Silver triflate-catalyzed tandem reaction of N'-(2-alkynylbenzylidene)hydrazide with pyridyne.","Organic & biomolecular chemistry","2012","10","40","8102","8107","10.1039/c2ob26379c","","","0.71073","MoKα","","0.0484","0.045","","","0.1308","0.1346","","","","","","0.914","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152696","7.271","0.0004","13.0197","0.0006","22.3322","0.0011","90","","90","","90","","2114.11","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl F4 N -","- C22 H22 Cl F4 N -","- C88 H88 Cl4 F16 N4 -","4","1","","Chia, Poh Wai; Brennan, Sarah C.; Slawin, Alexandra M. Z.; Riccardi, Daniela; O'Hagan, David","Allosteric agonists of the calcium receptor (CaR): fluorine and SF5 analogues of cinacalcet.","Organic & biomolecular chemistry","2012","10","39","7922","7927","10.1039/c2ob26402a","","","1.54178","CuKα","","0.0726","0.0704","","","0.1892","0.1918","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152697","20.206","0.004","8.8525","0.0016","22.032","0.004","90","","94.898","0.003","90","","3926.6","1.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C176 H176 N16 O48 -","8","2","","Yang, Hai-Bin; Shi, Min","Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles.","Organic & biomolecular chemistry","2012","10","41","8236","8243","10.1039/c2ob26413g","","","0.71073","MoKα","","0.0864","0.0487","","","0.1397","0.1786","","","","","","1.095","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152698","8.7826","0.0018","9.574","0.002","13.717","0.003","89.306","0.004","81.155","0.004","83.165","0.004","1131.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","1","","Yang, Hai-Bin; Shi, Min","Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles.","Organic & biomolecular chemistry","2012","10","41","8236","8243","10.1039/c2ob26413g","","","0.71073","MoKα","","0.0672","0.05","","","0.1324","0.1445","","","","","","1.032","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152699","10.122","0.006","10.799","0.006","20.017","0.011","90","","90","","90","","2188","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O8 -","- C20 H24 Br N O8 -","- C80 H96 Br4 N4 O32 -","4","1","","Wang, Yao; Luo, Yong-Chun; Zhang, Hong-Bo; Xu, Peng-Fei","Concise construction of the tetracyclic core of lycorine-type alkaloids and the formal synthesis of α-lycorane based on asymmetric bifunctional thiourea-catalyzed cascade reaction.","Organic & biomolecular chemistry","2012","10","41","8211","8215","10.1039/c2ob26422f","","","0.71073","MoKα","","0.1185","0.0546","","","0.1393","0.1905","","","","","","0.767","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152700","17.6423","0.0005","7.4224","0.0002","13.8157","0.0004","90","","109.299","0.0012","90","","1707.48","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0341","0.0329","","0.0804","0.0791","0.0804","","","","","","0.9999","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152701","11.5793","0.0002","9.778","0.0002","23.1685","0.0004","90","","101.922","0.0007","90","","2566.61","0.08","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0796","0.0625","","0.1736","0.1507","0.1735","","","","","","0.9698","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152702","26.1913","0.0002","7.9118","0.0001","23.6522","0.0003","90","","122.556","0.0005","90","","4131.06","0.08","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C160 H208 N16 O64 -","16","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0587","0.0446","","0.1314","0.1106","0.1314","","","","","","0.9355","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152703","7.7576","0.0003","6.007","0.0002","14.7572","0.0006","90","","93.71","0.002","90","","686.24","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C36 H24 N4 O2 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0295","0.0275","","","0.067","0.0687","","","","","","1.089","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152704","11.0917","0.0005","17.5158","0.0006","16.208","0.0006","90","","109.615","0.002","90","","2966.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","2","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0503","0.0449","","","0.131","0.1369","","","","","","1.068","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152705","7.446","0.004","7.67","0.003","16.378","0.01","96.97","0.04","102.06","0.02","118.99","0.02","772.5","0.7","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.102","0.0897","","","0.2758","0.292","","","","","","1.173","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152706","6.355","","8.01","","24.798","","90","","90","","90","","1262.31","","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0546","0.0391","","","0.0921","0.103","","","","","","0.946","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152707","11.0681","0.0003","9.2126","0.0003","13.3847","0.0003","90","","90.01","0.001","90","","1364.78","0.07","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 O3 -","- C14 H9 Cl N2 O3 -","- C56 H36 Cl4 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0511","0.0372","","","0.0906","0.098","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152708","8.5077","0.0004","9.6154","0.0005","9.324","0.0004","90","","116.932","0.007","90","","680.03","0.07","200","2","200","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C30 H24 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0411","0.0346","","","0.0784","0.0832","","","","","","1.085","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152709","6.545","","10.072","","11.676","","107.83","","101.23","","92.8","","713.831","","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H11 Cl N2 O3 -","- C15 H11 Cl N2 O3 -","- C30 H22 Cl2 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0973","0.047","","","0.0972","0.1211","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152710","8.6482","0.0003","9.8196","0.0004","11.8305","0.0005","76.306","0.002","82.629","0.002","65.289","0.002","886.24","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0534","0.0418","","","0.1051","0.1154","","","","","","1.045","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152711","28.8723","0.0011","8.1821","0.0003","17.9935","0.0007","90","","124.445","0.001","90","","3505.4","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 F N O2 S -","- C20 H20 F N O2 S -","- C160 H160 F8 N8 O16 S8 -","8","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0618","0.0434","","","0.1219","0.1434","","","","","","1.113","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152712","8.154","0.0003","11.686","0.0005","22.9788","0.001","90","","94.734","0.003","90","","2182.13","0.16","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0651","0.046","","","0.1144","0.1288","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152713","14.6259","0.0002","8.4133","0.0002","18.8218","0.0003","90","","94.804","0.001","90","","2307.93","0.07","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br2 N O2 S -","- C26 H23 Br2 N O2 S -","- C104 H92 Br8 N4 O8 S4 -","4","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0614","0.035","","","0.0832","0.101","","","","","","1.047","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152714","8.2735","0.0003","9.7455","0.0004","9.7543","0.0004","90","","90","","90","","786.48","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O -","- C6 H14 Cl N O -","- C24 H56 Cl4 N4 O4 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","","","","1.54178","CuKα","","0.0154","0.0154","","","0.0418","0.0418","","","","","","1.154","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152715","21.0466","0.0007","5.8427","0.0002","12.7574","0.0004","90","","104.37","0.001","90","","1519.68","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H28 Cl2 N2 O2 -","- C10 H28 Cl2 N2 O2 -","- C40 H112 Cl8 N8 O8 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","10.1039/c2ob26482j","","","1.54178","CuKα","","0.024","0.0239","","","0.0585","0.0586","","","","","","1.096","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152716","13.4626","0.0007","14.6803","0.0008","15.9634","0.0007","94.288","0.004","98.319","0.004","115.215","0.005","2791.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 N2 -","- C67 H68 N2 -","- C134 H136 N4 -","2","1","","Li, Jichao; Hu, Binbin; Hu, Gongfang; Li, Xihui; Lu, Ping; Wang, Yanguang","An efficient synthesis of heptaaryldipyrromethenes from tetraarylcyclopentadienones and ammonium acetate and their extension to the corresponding BODIPYs.","Organic & biomolecular chemistry","2012","10","44","8848","8859","10.1039/c2ob26509e","","","0.71073","MoKα","","0.1353","0.0603","","","0.1286","0.1629","","","","","","0.953","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152717","8.5856","0.0003","13.3808","0.001","13.8389","0.0009","66.612","0.007","77.281","0.004","77.711","0.005","1409.37","0.17","298","1","298","1","","","","","","","","4","P -1","-P 1","2","","2-{(E)-5-[(E)-3-{4-(Diethylamino)phenyl}-1-{4-(dimethylamino)phenyl}allylidene]-4-phenylthiazol-2-ylidene}malononitrile","","- C33 H31 N5 S -","- C33 H31 N5 S -","- C66 H62 N10 S2 -","2","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.1598","0.0419","","","0.0365","0.0424","","","","","","0.805","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152718","9.8471","0.0005","28.4321","0.0015","11.7509","0.0008","90","","106.763","0.006","90","","3150.1","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3E,5Z)-7-(2,6-Di-tert-butyl-4H-pyran-4-ylidene)-6-(4-(dimethylamino)phenyl)2-phenylhepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C37 H38 N4 O -","- C37 H38 N4 O -","- C148 H152 N16 O4 -","4","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.169","0.0685","","","0.0916","0.1209","","","","","","0.984","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152719","5.9702","0.0005","12.9502","0.0014","20.426","0.002","104.108","0.009","92.797","0.008","95.045","0.008","1521.6","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","4-Dimethylamino-[1,1': 3',1''-terphenyl]-2',4'-dicarbonitrile-5'-[2, 6-di-tert-butyl-4H-pyran-4-ylidene]","","- C36 H37 N3 O -","- C36 H37 N3 O -","- C72 H74 N6 O2 -","2","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.2233","0.0804","","","0.0971","0.1405","","","","","","0.968","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152720","8.3769","0.0009","12.9848","0.0013","13.7325","0.0014","90","","90.834","0.001","90","","1493.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O S -","- C14 H17 N3 O S -","- C56 H68 N12 O4 S4 -","4","1","","Zhao, Yingwei; Lei, Min; Yang, Lei; Han, Feng; Li, Zhen; Xia, Chungu","Oxygen-sulfur rearrangement in the reaction of thiocarbamate imidazolium ylide with arylaldehyde.","Organic & biomolecular chemistry","2012","10","45","8956","8959","10.1039/c2ob26520f","","","0.71073","MoKα","","0.0416","0.0369","","","0.1288","0.136","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152721","9.7754","0.0007","17.6008","0.0015","9.5625","0.0007","90","","113.841","0.004","90","","1504.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","RAUL004","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Domingo, Luis R.; Jiménez, M Consuelo; Miranda, Miguel A.","Ring splitting of azetidin-2-ones via radical anions.","Organic & biomolecular chemistry","2012","10","39","7928","7932","10.1039/c2ob26528a","","x-ray","0.71073","MoKα","","0.0863","0.0476","","","0.0997","0.1153","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152723","9.271","0.007","9.707","0.007","20.928","0.014","90.57","0.011","97.203","0.005","114.198","0.013","1700","2","93.15","","93","2","","","","","","","","3","P -1","-P 1","2","1,4-bis(4'-acetyl-(1,1'-biphenyl)-4-yl)buta-1,3-diyne","1,4-bis(4'-acetyl-[1,1'-biphenyl]-4-yl)buta-1,3-diyne","","- C32 H22 O2 -","- C32 H22 O2 -","- C96 H66 O6 -","3","1.5","","Mitsudo, Koichi; Kamimoto, Natsuyo; Murakami, Hiroki; Mandai, Hiroki; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji","Site-selective sequential coupling reactions controlled by ""Electrochemical Reaction Site Switching"": a straightforward approach to 1,4-bis(diaryl)buta-1,3-diynes.","Organic & biomolecular chemistry","2012","10","48","9562","9569","10.1039/c2ob26567b","","","0.71075","MoKα","","0.1239","0.0581","","","0.1153","0.1405","","","","","","0.912","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152724","24.8142","0.001","8.6804","0.0003","18.1721","0.0007","90","","99.492","0.001","90","","3860.6","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C192 H160 N16 O24 -","8","1","","Li, Ming; Zan, Li; Prajapati, Dipak; Hu, Wenhao","Rhodium(ii) catalyzed diastereoselective reactions of diazoacetamides with isatins: an efficient approach to 3-hydroxy-3,3'-bioxindoles.","Organic & biomolecular chemistry","2012","10","44","8808","8813","10.1039/c2ob26580j","","","0.71073","MoKα","","0.0708","0.0421","","","0.0986","0.1172","","","","","","1.016","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152725","18.235","0.003","8.195","0.0009","18.783","0.003","90","","111.007","0.018","90","","2620.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C104 H112 Br8 N8 O16 -","8","1","","Zhang, Juan; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Liu, Pengjun","Copper-catalyzed aerobic oxidative synthesis of α-ketoamides from methyl ketones, amines and NIS at room temperature.","Organic & biomolecular chemistry","2012","10","46","9237","9242","10.1039/c2ob26586a","","","0.71069","MoKα","","0.1304","0.0665","","","0.1288","0.1577","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152726","16.201","0.008","14.693","0.007","31.511","0.015","90","","100.528","0.007","90","","7375","6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H117 N12 O14 P -","- C70 H117 N12 O14 P -","- C280 H468 N48 O56 P4 -","4","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1207","0.0711","","","0.1651","0.1972","","","","","","1.039","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152727","12.821","0.003","16.131","0.004","19.3","0.004","77.453","0.002","77.365","0.003","87.544","0.003","3801.8","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C67 H109 N12 O12.5 S1.5 -","- C67 H108.5 N12 O12.5 S1.5 -","- C134 H217 N24 O25 S3 -","2","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1023","0.0786","","","0.2172","0.2394","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152728","7.1862","0.0007","11.0958","0.0013","11.8947","0.0011","90","","104.528","0.01","90","","918.12","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","6A","","","- C18 H26 O9 -","- C18 H26 O9 -","- C36 H52 O18 -","2","1","","Pandey, Ganesh; Adate, Priyanka A.; Puranik, Vedavati G.","Organocatalytic dynamic kinetic resolution via conjugate addition: synthesis of chiral trans-2,5-dialkylcyclohexanones.","Organic & biomolecular chemistry","2012","10","41","8260","8267","10.1039/c2ob26597d","","","1.54184","CuKα","","0.0412","0.0409","","","0.1125","0.1131","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152729","14.26","0.0002","26.14","0.0004","16.822","0.0002","90","","101.476","0.001","90","","6145.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Zn4 -","- C60 H52 Cl8 N12 Zn4 -","- C240 H208 Cl32 N48 Zn16 -","4","1","","Ciupa, Alexander; Mahon, Mary F.; De Bank, Paul A.; Caggiano, Lorenzo","Simple pyrazoline and pyrazole ""turn on"" fluorescent sensors selective for Cd(2+) and Zn(2+) in MeCN.","Organic & biomolecular chemistry","2012","10","44","8753","8757","10.1039/c2ob26608c","","","0.71073","MoKα","","0.0782","0.0452","","","0.1015","0.1156","","","","","","1.031","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152730","14.26","0.0002","26.14","0.0004","16.822","0.0002","90","","101.476","0.001","90","","6145.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Zn4 -","- C60 H52 Cl8 N12 Zn4 -","- C240 H208 Cl32 N48 Zn16 -","4","1","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","","0.71073","MoKα","","0.0782","0.0452","","","0.1015","0.1156","","","","","","1.031","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152731","9.7301","0.0009","19.154","0.0019","18.7347","0.0018","90","","90.915","0.002","90","","3491.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","0.71073","MoKα","","0.0574","0.0436","","","0.1072","0.1145","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152732","17.1331","0.0003","5.0892","0.0001","17.6727","0.0003","90","","118.234","0.001","90","","1357.61","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C58 H74 N2 O10 -","2","1","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","1.54178","CuKα","","0.0452","0.0429","","","0.1184","0.1217","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152733","17.0527","0.0007","17.0527","0.0007","8.4671","0.0007","90","","90","","90","","2462.2","0.2","110","2","110","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H31 N2 O6 -","- C26 H31 N2 O6 -","- C104 H124 N8 O24 -","4","1","","Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis of chiral bis-oxazines: a preliminary assessment of helical conformational framework.","Organic & biomolecular chemistry","2012","10","43","8579","8582","10.1039/c2ob26669e","","","0.71073","MoKα","","0.0751","0.0669","","","0.1597","0.165","","","","","","1.081","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152734","8.3206","0.0004","8.3369","0.0004","25.7561","0.0014","93.355","0.001","95.323","0.001","93.682","0.001","1771.53","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0552","0.0453","","","0.0873","0.0925","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152735","8.3213","0.0004","8.3312","0.0004","25.7701","0.0013","93.369","0.001","95.301","0.001","93.703","0.001","1771.42","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0611","0.0446","","","0.0827","0.0901","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152736","10.8478","0.0012","11.5786","0.0013","17.841","0.002","80.352","0.002","80.707","0.002","76.854","0.002","2133.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C84 H92 N4 O20 S4 -","4","2","","Cao, Jian; Kong, Yulong; Deng, Yuan; Lai, Guoqiao; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai","Synthesis of allenamides by Pd-catalyzed coupling of 3-alkoxycarbonyloxy ynamides or 1-alkoxycarbonyloxy allenamides with arylboronic acids.","Organic & biomolecular chemistry","2012","10","48","9556","9561","10.1039/c2ob26727f","","","0.71073","MoKα","","0.1179","0.051","","","0.1459","0.1939","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152737","10.1299","0.0006","15.3763","0.0009","15.953","0.0009","61.791","0.001","76.535","0.001","86.754","0.001","2125.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N O3.5 S -","- C24 H23 N O3.5 S -","- C96 H92 N4 O14 S4 -","4","2","","Cao, Jian; Kong, Yulong; Deng, Yuan; Lai, Guoqiao; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai","Synthesis of allenamides by Pd-catalyzed coupling of 3-alkoxycarbonyloxy ynamides or 1-alkoxycarbonyloxy allenamides with arylboronic acids.","Organic & biomolecular chemistry","2012","10","48","9556","9561","10.1039/c2ob26727f","","","0.71073","MoKα","","0.062","0.0481","","","0.1476","0.1682","","","","","","1.046","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152738","16.077","0.002","17.39","0.003","21.894","0.003","90","","109.049","0.002","90","","5785.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Br2 N18 O20.25 -","- C38 H38 Br2.01 N18 O20.25 -","- C152 H152 Br8.04 N72 O81 -","4","1","","Maddipatla, Murthy V. S. N.; Pattabiraman, Mahesh; Natarajan, Arunkumar; Srivastav, Karan; Mague, Joel T.; Ramamurthy, V.","Regioselective photodimerization of pyridyl-butadienes within cucurbit[8]uril cavities.","Organic & biomolecular chemistry","2012","10","46","9219","9222","10.1039/c2ob26743h","","","0.71073","MoKα","","0.1448","0.1181","","","0.3057","0.3167","","","","","","2.421","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152739","8.6509","0.0007","9.6346","0.0004","10.4549","0.0004","112.631","0.002","100.874","0.003","95.813","0.003","775.19","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","","Wang, Chiou-Dong; Liu, Rai-Shung","Silver-catalyzed [3+2]-cycloaddition of benzynes with diazocarbonyl species via a postulated (1H-indazol-1-yl)silver intermediate.","Organic & biomolecular chemistry","2012","10","45","8948","8952","10.1039/c2ob26760h","","","0.71073","MoKα","","0.0895","0.0458","","","0.1283","0.1852","","","","","","1.11","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152740","11.3188","0.0014","7.8255","0.001","11.8409","0.0015","90","","107.775","0.0018","90","","998.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Standen, Patricia E.; Dodia, Dharati; Elsegood, Mark R. J.; Teat, Simon J.; Kimber, Marc C.","The stereochemical outcome of allyl magnesium and indium additions to 5-substituted norbornen-7-ones and its application to cis fused carbocycle formation via ring rearrangement metathesis.","Organic & biomolecular chemistry","2012","10","43","8669","8676","10.1039/c2ob26784e","","","0.7749","synchrotron","","0.0441","0.0391","","","0.1093","0.1141","","","","","","1.045","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152741","6.4701","0.0006","10.1349","0.001","14.1595","0.0013","93.806","0.006","91.027","0.006","105.958","0.006","890.11","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.0543","0.0443","","","0.1163","0.124","","","","","","0.943","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152742","7.3493","0.0012","9.3408","0.0015","25.042","0.004","73.729","0.006","88.572","0.006","86.474","0.006","1647.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 O4 Si -","- C15 H26 O4 Si -","- C60 H104 O16 Si4 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.1199","0.0727","","","0.1868","0.2182","","","","","","1.074","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152743","7.5774","0.0018","7.5917","0.0014","16.577","0.004","77.041","0.013","88.566","0.019","85.931","0.013","926.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 Cl O3 -","- C9 H11 Cl O3 -","- C36 H44 Cl4 O12 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.193","0.1434","","","0.356","0.3872","","","","","","1.094","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152744","11.1742","0.0003","12.7465","0.0003","12.9261","0.0003","77.034","0.001","65.985","0.001","82.498","0.001","1637.25","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 S -","- C15 H15 N O8 S -","- C60 H60 N4 O32 S4 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.0819","0.0479","","","0.121","0.1436","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152745","6.3446","0.0001","16.7461","0.0002","19.6159","0.0002","90","","90","","90","","2084.14","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F3 N2 O5 -","- C20 H25 F3 N2 O5 -","- C80 H100 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","1.54184","CuKα","","0.0303","0.0295","","","0.0751","0.0758","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152746","6.3032","0.0014","17.505","0.004","19.677","0.004","90","","90","","90","","2171.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F3 N2 O5 -","- C21 H27 F3 N2 O5 -","- C84 H108 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0384","0.0346","","","0.0859","0.0886","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152747","5.409","0.002","11.831","0.005","22.811","0.01","90","","90","","90","","1459.8","1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O3 -","- C15 H16 F3 N O3 -","- C60 H64 F12 N4 O12 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0723","0.0472","","","0.1143","0.1266","","","","","","1.121","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152748","10.609","0.0003","15.8952","0.0004","16.3523","0.0004","93.865","0.001","100.226","0.001","90.915","0.001","2706.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N O6 -","- C26 H33 Cl1.98 N O6 -","- C104 H132 Cl7.92 N4 O24 -","4","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0562","0.0511","","","0.1364","0.1407","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152749","20.8667","0.0004","5.2047","0.0001","26.1797","0.0005","90","","90","","90","","2843.24","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0333","0.0317","","","0.0811","0.0823","","","","","","1.055","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152750","10.221","0.007","13.132","0.008","12.143","0.008","90","","106.09","0.018","90","","1566","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl N O -","- C16 H22 Cl N O -","- C64 H88 Cl4 N4 O4 -","4","1","","Reen, F. Jerry; Clarke, Sarah L.; Legendre, Claire; McSweeney, Christina M.; Eccles, Kevin S.; Lawrence, Simon E.; O'Gara, Fergal; McGlacken, Gerard P.","Structure-function analysis of the C-3 position in analogues of microbial behavioural modulators HHQ and PQS.","Organic & biomolecular chemistry","2012","10","44","8903","8910","10.1039/c2ob26823j","","","0.71073","MoKα","","0.1238","0.0559","","","0.1402","0.169","","","","","","1.087","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152751","8.013","0.012","9.542","0.014","14.04","0.02","93.728","0.018","104.831","0.019","97.695","0.019","1023","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Yao, Liangqing; Yu, Xingxin; Mo, Chen; Wu, Jie","Synthesis of pyrazolo[5,1-a]isoquinolines via silver(i)-rhodium(i) cooperative catalysis in the reaction of N'-(2-alkynylbenzylidene)hydrazide with cycloprop-2-ene-1,1-dicarboxylate.","Organic & biomolecular chemistry","2012","10","47","9447","9451","10.1039/c2ob26824h","","","0.71073","MoKα","","0.0742","0.0644","","","0.1692","0.1798","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152752","14.1251","0.0019","11.6285","0.0015","16.905","0.002","90","","101.455","0.002","90","","2721.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 N2 O4 -","- C31 H30 N2 O4 -","- C124 H120 N8 O16 -","4","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0835","0.0595","","","0.1709","0.1948","","","","","","1.047","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152753","9.7306","0.0018","12.134","0.002","15.316","0.003","79.865","0.003","75.145","0.003","70.894","0.002","1643.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cl2 N2 O3 -","- C34 H24 Cl2 N2 O3 -","- C68 H48 Cl4 N4 O6 -","2","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0921","0.0608","","","0.1721","0.1955","","","","","","0.977","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152754","10.5214","0.0014","9.2191","0.0012","32.976","0.004","90","","107.588","0.004","90","","3049.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 F N2 O3 -","- C34 H25 F N2 O3 -","- C136 H100 F4 N8 O12 -","4","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.1111","0.0607","","","0.1838","0.2059","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152756","8.7989","0.0014","11.8637","0.0019","15.562","0.003","88.053","0.002","74.732","0.002","69.982","0.002","1469.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Cl N3 O3 -","- C37 H26 Cl N3 O3 -","- C74 H52 Cl2 N6 O6 -","2","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0744","0.052","","","0.1385","0.1583","","","","","","1.06","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152757","8.1013","0.0008","14.0953","0.0015","17.3131","0.0018","76.106","0.002","85.883","0.002","89.274","0.002","1914.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br N S2 -","- C20 H22 Br N S2 -","- C80 H88 Br4 N4 S8 -","4","2","","Alajarín, Mateo; Bonillo, Baltasar; Orenes, Raúl-Angel; Ortín, María-Mar; Vidal, Angel","1,5-(H, RO, RS) shift/6π-electrocyclic ring closure tandem processes on N-[(α-heterosubstituted)-2-tolyl]ketenimines: a case study of relative migratory aptitudes and activating effects.","Organic & biomolecular chemistry","2012","10","48","9523","9537","10.1039/c2ob27010b","","","0.71073","MoKα","","0.0643","0.0518","","","0.0959","0.1004","","","","","","1.12","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7153753","22.8898","0.0013","22.8898","0.0013","32.1163","0.0019","90","","90","","120","","14572.7","1.5","100","2","100","2","","","","","","","synthesis as described","4","P 62 2 2","P 62 2 (0 0 4)","180","AG.118-B","","","- C66 H96 N8 O22 -","- C66 H96 N8 O22 -","- C396 H576 N48 O132 -","6","0.5","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","x-ray","0.71073","MoKα","","0.0859","0.0718","","","0.2052","0.219","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153754","10.9625","0.0016","12.4135","0.0017","12.6502","0.0018","115.78","0.001","94.564","0.002","100.874","0.002","1496.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 N O6 S Si -","- C29 H39 N O6 S Si -","- C58 H78 N2 O12 S2 Si2 -","2","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine.","Organic & biomolecular chemistry","2012","10","19","3812","3814","10.1039/c2ob25374g","","","0.71073","MoKα","","0.088","0.0529","","","0.1385","0.1622","","","","","","1.04","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7206894","40.284","0.006","40.284","0.006","17.66","0.003","90","","90","","90","","28659","8","173","2","173","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C102 H84 Cu3 N2 O21 -","- C103 H84.2404 Cu3 N2 O21 -","- C824.002 H673.923 Cu24 N16 O168 -","8","0.5","","Yu, Jin-Tao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","A novel 1D independent metal‒organic nanotube based on cyclotriveratrylene ligand","CrystEngComm","2012","14","1","112","","10.1039/c1ce05316g","","","0.71073","MoKα","","0.1259","0.1006","","","0.2562","0.2742","","","","","","1.137","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206895","12.9833","0.0007","25.7855","0.0014","30.5266","0.0017","90","","90","","90","","10219.7","1","120","2","120","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C25 H28 Co N4 O6 -","- C25 H24 Co N4 O6 -","- C400 H384 Co16 N64 O96 -","16","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0854","0.0529","","","0.1387","0.1591","","","","","","1.029","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206896","12.96","0.001","25.619","0.002","30.85","0.002","90","","90","","90","","10242.9","1.3","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C25 H28 N4 O6 Zn -","- C25 H24 N4 O6 Zn -","- C400 H384 N64 O96 Zn16 -","16","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0543","0.0406","","","0.1112","0.121","","","","","","1.065","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206897","9.6988","0.0006","15.9616","0.001","15.1735","0.0009","90","","98.865","0.002","90","","2320.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cd N4 O5 -","- C25 H24 Cd N4 O5 -","- C100 H96 Cd4 N16 O20 -","4","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0497","0.0322","","","0.069","0.0749","","","","","","1.048","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206898","9.6221","0.0002","9.6221","0.0002","48.4414","0.0013","90","","90","","120","","3884.07","0.15","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 Co N4 O5 -","- C25 H24 Co N4 O5 -","- C150 H144 Co6 N24 O30 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0441","0.0371","","","0.0849","0.0874","","","","","","1.066","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206899","12.8829","0.0005","14.1565","0.0006","18.6819","0.0007","104.822","0.002","98.409","0.002","113.367","0.001","2903.5","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H67 Cu2 N9 O15 -","- C54 H67 Cu2 N9 O15 -","- C108 H134 Cu4 N18 O30 -","2","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.1077","0.0579","","","0.121","0.1421","","","","","","1.042","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206900","14.7437","0.0008","24.709","0.0013","20.6058","0.0011","90","","105.314","0.002","90","","7240.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.88 H37.38 N5.63 Ni O7.63 -","- C28 H33 N5 Ni O7 -","- C224 H264 N40 Ni8 O56 -","8","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0847","0.0562","","","0.1425","0.1535","","","","","","0.984","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206901","9.6491","0.0002","9.6491","0.0002","48.258","0.002","90","","90","","120","","3891.1","0.2","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 N4 O5 Zn -","- C25 H24 N4 O5 Zn -","- C150 H144 N24 O30 Zn6 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0627","0.0604","","","0.1501","0.1511","","","","","","1.198","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206902","24.573","0.005","9.3013","0.0017","21.788","0.004","90","","110.754","0.007","90","","4656.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Cu N4 O4 -","- C25 H24 Cu N4 O4 -","- C200 H192 Cu8 N32 O32 -","8","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0632","0.0393","","","0.097","0.1067","","","","","","1.044","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206903","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206904","7.5104","0.0007","11.904","0.001","29.32","0.003","90","","96.942","0.001","90","","2602.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Br4 O2 Ru -","- C8 H5 Br4 O2 Ru -","- C64 H40 Br32 O16 Ru8 -","8","2","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?","CrystEngComm","2012","14","3","804","","10.1039/c1ce05438d","","","0.71073","MoKα","","0.0597","0.0418","","","0.0901","0.0999","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206905","6.767","0.002","7.475","0.002","13.172","0.004","85.299","0.004","89.063","0.004","72.03","0.004","631.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br4 O2 Ru -","- C8 H5 Br4 O2 Ru -","- C16 H10 Br8 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?","CrystEngComm","2012","14","3","804","","10.1039/c1ce05438d","","","0.71073","MoKα","","0.0652","0.0557","","","0.1466","0.1559","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206906","6.6793","0.001","10.676","0.002","12.15","0.002","90","","99.859","0.003","90","","853.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl O2 Ru -","- C7 H5 Cl O2 Ru -","- C28 H20 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0267","0.0242","","","0.0621","0.065","","","","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206907","6.5729","0.0012","10.455","0.002","12.066","0.002","90","","98.71","0.002","90","","819.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl O2 Os -","- C7 H5 Cl O2 Os -","- C28 H20 Cl4 O8 Os4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0288","0.0247","","","0.0722","0.0737","","","","","","1.195","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206908","6.7919","0.0008","7.8225","0.001","12.819","0.002","84.5","0.003","87.327","0.003","72.547","0.003","646.61","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C24 H30 Cl2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0394","0.0295","","","0.0738","0.0772","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206909","12.0242","0.001","7.9991","0.0007","14.1805","0.0012","90","","106.583","0.002","90","","1307.19","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C48 H60 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0457","0.0288","","","0.0688","0.0726","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206910","8.4488","0.0013","9.9193","0.0015","11.619","0.002","90","","107.559","0.002","90","","928.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Cl O2 Ru -","- C8 H7 Cl O2 Ru -","- C32 H28 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0208","0.0187","","","0.0468","0.0476","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206911","6.1076","0.0011","6.8545","0.0012","11.658","0.002","80.201","0.002","82.342","0.003","79.028","0.002","469.57","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Br O2 Ru -","- C8 H7 Br O2 Ru -","- C16 H14 Br2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0237","0.0212","","","0.0548","0.0558","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206912","6.9642","0.0013","7.4745","0.0014","10.068","0.002","92.968","0.003","95.936","0.003","108.783","0.003","491.49","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 I O2 Ru -","- C8 H7 I O2 Ru -","- C16 H14 I2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0325","0.0303","","","0.0811","0.0827","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206913","11.2187","0.0018","4.7411","0.0007","21.685","0.003","90","","93.91","0.002","90","","1150.7","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-bromophenyl) benzamide","2-fluoro-N-(2-bromophenyl) benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0406","0.0314","","","0.0701","0.0725","","","","","","1.055","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206914","26.081","0.003","5.2349","0.0007","17.549","0.002","90","","103.716","0.002","90","","2327.7","0.5","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3-fluoro-N-(4-bromophenyl) benzamide","3-fluoro-N-(4-bromophenyl) benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C104 H72 Br8 F8 N8 O8 -","8","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.048","0.0341","","","0.0769","0.0846","","","","","","1.027","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206915","5.0904","0.0011","10.696","0.002","12.054","0.003","113.637","0.003","97.827","0.003","93.133","0.003","591.3","0.2","292","2","292","2","","","","","","","","6","P -1","-P 1","2","2-bromo-N-(3-fluoro)benzamide","2-bromo-N-(3-fluoro)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C26 H18 Br2 F2 N2 O2 -","2","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0385","0.0295","","","0.0653","0.0687","","","","","","1.05","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206916","4.3711","0.0004","5.1917","0.0005","50.481","0.005","90","","90","","90","","1145.59","0.19","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-bromo-N-(3-fluorophenyl)benzamide","3-bromo-N-(3-fluorophenyl)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.042","0.0343","","","0.0673","0.0691","","","","","","1.14","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206917","11.0184","0.0016","4.7429","0.0007","21.677","0.003","90","","94.101","0.002","90","","1129.9","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-chlorophenyl)benzamide","2-fluoro-N-(2-chlorophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C52 H36 Cl4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0531","0.041","","","0.0985","0.1036","","","","","","1.063","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206918","25.6859","0.0006","5.2425","0.0001","17.3988","0.0004","90","","104.252","0.001","90","","2270.78","0.09","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3-fluoro-N-(4-chlorophenyl)benzamide","3-fluoro-N-(4-chlorophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C104 H72 Cl8 F8 N8 O8 -","8","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0593","0.0403","","","0.1248","0.1529","","","","","","1.124","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206919","13.6468","0.0003","12.3384","0.0003","13.7313","0.0003","90","","90.686","0.002","90","","2311.91","0.09","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-chloro-N-(3-flourophenyl)benzamide","2-chloro-N-(3-flourophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C104 H72 Cl8 F8 N8 O8 -","8","2","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0696","0.0449","","","0.1227","0.1286","","","","","","1.083","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206920","5.1012","0.0003","11.0188","0.0007","12.441","0.0008","64.411","0.003","79.243","0.003","87.18","0.003","619.23","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","2-iodo-N-(3-fluorophenyl)benzamide","2-iodo-N-(3-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C26 H18 F2 I2 N2 O2 -","2","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0295","0.0253","","","0.0544","0.0561","","","","","","1.041","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206921","11.5468","0.0011","4.7669","0.0005","21.94","0.002","90","","92.302","0.005","90","","1206.7","0.2","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-iodophenyl)benzamide","2-fluoro-N-(2-iodophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0304","0.0235","","","0.0471","0.0491","","","","","","1.043","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206922","9.0447","0.0002","14.1185","0.0003","9.9862","0.0003","90","","90","","90","","1275.21","0.05","292","2","292","2","","","","","","","","6","P n a 21","P 2c -2n","33","2-iodo-N-(2-fluorophenyl)benzamide","2-iodo-N-(2-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0441","0.0339","","","0.0688","0.0711","","","","","","1.006","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206923","25.444","0.002","8.0222","0.0007","13.4912","0.0012","90","","106.518","0.001","90","","2640.1","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cl8 N2 O8 -","- C52 H50 Cl8 N2 O8 -","- C104 H100 Cl16 N4 O16 -","2","0.5","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt‒cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0739","0.0657","","","0.1713","0.1802","","","","","","1.029","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206924","4.8955","0.0005","12.3245","0.0012","14.503","0.0014","90","","94.27","0.002","90","","872.6","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl2 O2 -","- C8 H6 Cl2 O2 -","- C32 H24 Cl8 O8 -","4","1","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt‒cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0542","0.0477","","","0.1307","0.1362","","","","","","1.058","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206925","19.03","0.008","5.555","0.0015","25.191","0.009","90","","110.33","0.03","90","","2497.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N4 O2 -","- C30 H24 Cl N4 O2 -","- C120 H96 Cl4 N16 O8 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.2039","0.1322","","","0.295","0.3415","","","","","","1.064","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206926","9.2681","0.0009","12.4755","0.0016","16.074","0.003","73.308","0.012","82.774","0.014","75.228","0.009","1718.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl2 N4 O4 -","- C40 H32 Cl2 N4 O4 -","- C80 H64 Cl4 N8 O8 -","2","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.0814","0.049","","","0.1096","0.1244","","","","","","1.03","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206927","19.0685","0.0015","5.5501","0.0005","25.148","0.002","90","","110.116","0.002","90","","2499.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N4 O2 -","- C30 H24 Cl N4 O2 -","- C120 H96 Cl4 N16 O8 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.1034","0.0591","","","0.1552","0.1895","","","","","","1.04","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206928","7.855","0.0013","17.546","0.003","18.586","0.003","90","","111.626","0.006","90","","2381.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 I N6 O8 Zn -","- C16 H23 I N6 O8 Zn -","- C64 H92 I4 N24 O32 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.0697","0.0445","","","0.1264","0.1465","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206929","8.5844","0.0009","22.107","0.002","10.2952","0.0011","90","","102.313","0.001","90","","1908.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 I N6 O4 Zn -","- C16 H15 I N6 O4 Zn -","- C64 H60 I4 N24 O16 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.041","0.0313","","","0.0791","0.085","","","","","","1.069","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206930","10.1291","0.001","16.9901","0.0017","12.3894","0.0012","90","","107.66","0.001","90","","2031.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 I N6 O6 Zn -","- C15 H17 I N6 O6 Zn -","- C60 H68 I4 N24 O24 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.0762","0.0446","","","0.1","0.1161","","","","","","1.018","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206931","9.4462","0.0004","10.6899","0.0004","10.917","0.0004","103.25","0.002","98.612","0.002","102.932","0.002","1022.07","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H46 N8 O36 V10 -","- C14 H46 N8 O36 V10 -","- C14 H46 N8 O36 V10 -","1","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.0387","0.0295","","","0.0792","0.0859","","","","","","1.011","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206932","22.0808","0.0015","9.7061","0.0005","24.3647","0.0015","90","","109.045","0.008","90","","4936","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H62 Co2 N8 O46 V10 -","- C12 H62 Co2 N8 O46 V10 -","- C48 H248 Co8 N32 O184 V40 -","4","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.075","0.049","","","0.1322","0.15","","","","","","1.012","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206933","12.0418","0.0003","15.7976","0.0003","11.0989","0.0003","90","","107.98","0.001","90","","2008.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 N8 O34 V10 -","- C14 H42 N8 O34 V10 -","- C28 H84 N16 O68 V20 -","2","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.0469","0.0352","","","0.0932","0.1004","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206934","5.2586","0.0002","8.916","0.0003","13.8165","0.0005","90","","90.5","0.002","90","","647.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C28 H20 Cl4 N8 -","4","1","","Hazra, Dipak K.; Mukherjee, Alok K.; Helliwell, Madeleine; Mukherjee, Monika","Topological features and electronic structure of 4-chloro-1H-pyrrolo[2,3-b]pyridine: experimental charge density analysis and DFT studies","CrystEngComm","2012","14","3","993","","10.1039/c1ce05615h","","","0.71073","MoKα","","0.0617","0.0543","","","0.1268","0.1297","","","","","","1.273","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206935","7.5975","0.0005","12.2026","0.0007","12.8137","0.0008","61.607","0.006","77.247","0.005","78.353","0.005","1012.74","0.12","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","2","","Spingler, Bernhard; Schnidrig, Stephan; Todorova, Tonya; Wild, Ferdinand","Some thoughts about the single crystal growth of small molecules","CrystEngComm","2012","14","3","751","","10.1039/c1ce05624g","","","0.7107","MoKα","","0.1382","0.0479","","","0.0782","0.0902","","","","","","0.81","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206936","9.3329","0.0002","12.7049","0.0003","9.1195","0.0002","90","","98.085","0.002","90","","1070.58","0.04","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C48 H44 N8 O8 -","2","0.5","","Spingler, Bernhard; Schnidrig, Stephan; Todorova, Tonya; Wild, Ferdinand","Some thoughts about the single crystal growth of small molecules","CrystEngComm","2012","14","3","751","","10.1039/c1ce05624g","","","0.7107","MoKα","","0.0558","0.0464","","","0.1216","0.1294","","","","","","1.032","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206937","27.84","0.006","21.605","0.004","20.145","0.004","90","","90","","90","","12117","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 Cu6 N20 O39 P W11 -","- C100 H80 Cu6 N20 O39 P W11 -","- C400 H320 Cu24 N80 O156 P4 W44 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1737","0.0694","","","0.1665","0.2347","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206938","28.117","0.002","21.4312","0.0016","19.6445","0.0014","90","","90","","90","","11837.4","1.5","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 B Cu5 N20 O40 W12 -","- C100 H80 B Cu5 N20 O40 W12 -","- C400 H320 B4 Cu20 N80 O160 W48 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.0857","0.0453","","","0.1025","0.134","","","","","","0.999","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206939","12.506","0.003","14.025","0.003","31.972","0.006","78.45","0.03","82.58","0.03","87.87","0.03","5448","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H72 B Cu5 N16 O44 W12 -","- C96 H64 B Cu5 N16 O44 W12 -","- C192 H128 B2 Cu10 N32 O88 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.095","0.0645","","","0.1694","0.1989","","","","","","1.041","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206940","13.4495","0.0019","13.716","0.002","28.536","0.004","82.489","0.012","79.829","0.009","79.841","0.012","5073.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cu4 N16 O40 Si W12 -","- C80 H64 Cu4 N16 O40 Si W12 -","- C160 H128 Cu8 N32 O80 Si2 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.108","0.0501","","","0.1149","0.145","","","","","","1.023","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206941","13.297","0.003","13.673","0.003","28.4","0.006","82.43","0.03","80.66","0.03","79.91","0.03","4988","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cu4 N16 O40 P W12 -","- C80 H64 Cu4 N16 O40 P W12 -","- C160 H128 Cu8 N32 O80 P2 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1066","0.0633","","","0.1445","0.1711","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206942","13.0132","0.0008","4.8558","0.0003","16.371","0.001","90","","109.235","0.003","90","","976.73","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0288","0.0263","","","0.0683","0.0795","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206943","17.264","0.002","4.7225","0.0007","11.9008","0.0017","90","","90.091","0.002","90","","970.3","0.2","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1001","0.0768","","","0.2048","0.2257","","","","","","1.017","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206944","4.8768","0.0002","7.2147","0.0003","28.5203","0.0011","90","","90","","90","","1003.48","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0294","0.0288","","","0.0764","0.0771","","","","","","1.047","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206945","12.513","0.001","4.9317","0.0005","16.282","0.001","90","","97.159","0.006","90","","996.94","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1314","0.047","","","0.0842","0.1076","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206946","12.3381","0.001","4.7318","0.0003","32.877","0.003","90","","90","","90","","1919.4","0.3","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.0753","0.0568","","","0.1447","0.1581","","","","","","1.038","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206947","11.953","0.0007","7.2717","0.0003","17.7746","0.0008","90","","104.482","0.005","90","","1495.86","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O8 Zn -","- C16 H12 O8 Zn -","- C64 H48 O32 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0542","0.0335","","","0.0698","0.0728","","","","","","0.902","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206948","9.955","0.005","10.55","0.004","14.073","0.003","88.346","0.002","69.302","0.003","64.514","0.005","1234.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N2 O8.5 Zn -","- C28 H21 N2 O8.5 Zn -","- C56 H42 N4 O17 Zn2 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71069","MoKα","","0.0366","0.0279","","","0.0745","0.0764","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206949","8.659","0.0003","9.9594","0.0004","12.8686","0.0006","94.713","0.004","101.475","0.003","92.54","0.003","1081.82","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N6 O7 Zn -","- C22 H18 N6 O7 Zn -","- C44 H36 N12 O14 Zn2 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0654","0.043","","","0.1022","0.1064","","","","","","0.925","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206950","11.8109","0.0006","13.7859","0.0005","16.9387","0.0006","67.887","0.004","87.405","0.004","71.034","0.004","2407.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 N12 O16 Zn2 -","- C46 H44 N12 O16 Zn2 -","- C92 H88 N24 O32 Zn4 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.079","0.0398","","","0.0842","0.0892","","","","","","0.834","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206951","15.124","0.0007","13.8252","0.0005","9.5104","0.0004","90","","102.674","0.004","90","","1940.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H72 N12 O28 Zn4 -","- C84 H72 N12 O28 Zn4 -","- C84 H72 N12 O28 Zn4 -","1","0.25","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0481","0.0285","","","0.0563","0.0584","","","","","","0.854","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206952","14.978","0.0005","32.6149","0.0011","6.3668","0.0002","90","","90","","90","","3110.22","0.18","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H26 N6 O7 Zn -","- C34 H26 N6 O7 Zn -","- C136 H104 N24 O28 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.083","0.0336","","","0.0315","0.0343","","","","","","0.748","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206953","6.8167","0.0004","10.8308","0.0005","12.0167","0.0007","86.596","0.004","83.997","0.005","73.499","0.004","845.58","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Cu4 O19 -","- C32 H26 Cu4 O19 -","- C32 H26 Cu4 O19 -","1","0.5","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0401","0.0281","","","0.0637","0.0654","","","","","","0.924","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206954","16.3292","0.0004","16.3292","0.0004","19.9708","0.0006","90","","90","","90","","5325.1","0.2","293","2","293","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Cd3 N16 O8 -","- C64 H40 Cd3 N16 O8 -","- C256 H160 Cd12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1186","0.0346","","","0.0276","0.0308","","","","","","0.887","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206955","16.172","0.005","16.172","0.005","19.553","0.005","90","0.005","90","0.005","90","0.005","5114","3","150","2","150","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Fe3 N16 O8 -","- C64 H40 Fe3 N16 O8 -","- C256 H160 Fe12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1152","0.0539","","","0.1418","0.1598","","","","","","0.807","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206956","18.046","0.004","14.024","0.003","13.553","0.003","90","","90.2","0.03","90","","3429.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Fe3 N8 O9 -","- C36 H24 Fe3 N8 O9 -","- C144 H96 Fe12 N32 O36 -","4","1","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1396","0.1036","","","0.2898","0.3076","","","","","","1.075","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206957","6.8088","0.0003","7.4891","0.0004","14.8396","0.0008","90","","100.854","0.005","90","","743.16","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.086","0.0412","","","0.1199","0.1337","","","","","","1.029","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206958","9.2834","0.0007","8.5265","0.0005","9.8621","0.0007","90","","93.062","0.006","90","","779.52","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C36 H48 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.1235","0.0394","","","0.0528","0.0633","","","","","","0.89","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206959","10.3618","0.0007","6.6849","0.0005","14.6052","0.0011","90","","107.353","0.007","90","","965.62","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Br2 O2 -","- C9 H6 Br2 O2 -","- C36 H24 Br8 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.1657","0.071","","","0.2302","0.2735","","","","","","0.873","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206960","7.3655","0.0005","11.7786","0.0009","5.5546","0.0004","90","","90","","90","","481.89","0.06","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C11 H10 N2 -","- C11 H10 N2 -","- C22 H20 N4 -","2","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.0544","0.031","","","0.0667","0.0727","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206961","9.7848","0.0001","14.8435","0.0001","8.4224","0.0001","90","","96.749","0.001","90","","1214.8","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Eu N O8 -","- C9 H8 Eu N O8 -","- C36 H32 Eu4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0241","0.0205","","","0.0467","0.0482","","","","","","1.06","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206962","9.7677","0.0002","14.8211","0.0003","8.4033","0.0002","90","","96.421","0.001","90","","1208.9","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Gd N O8 -","- C9 H8 Gd N O8 -","- C36 H32 Gd4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0254","0.0209","","","0.0463","0.0482","","","","","","1.04","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206963","9.9138","0.0001","14.9969","0.0002","8.5545","0.0001","90","","98.582","0.001","90","","1257.61","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 La N O8 -","- C9 H8 La N O8 -","- C36 H32 La4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0294","0.0247","","","0.0563","0.0586","","","","","","1.052","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206964","9.7567","0.0001","14.7443","0.0002","8.3919","0.0001","90","","96.679","0.001","90","","1199.03","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N O8 Tb -","- C9 H8 N O8 Tb -","- C36 H32 N4 O32 Tb4 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0273","0.0224","","","0.0503","0.0525","","","","","","1.021","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206965","11.3769","0.0005","8.3198","0.0004","21.4511","0.001","90","","98.021","0.003","90","","2010.56","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23.5 O10.5 -","- C19 H23.5 O10.5 -","- C76 H94 O42 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.083","0.0588","","","0.1606","0.1808","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206966","11.0883","0.0005","8.5689","0.0003","21.5332","0.0009","90","","93.104","0.001","90","","2042.97","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 O10 -","- C20 H23 O10 -","- C80 H92 O40 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.0393","0.0355","","","0.0953","0.1003","","","","","","1.046","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206967","7.255","0.0002","9.2807","0.0003","13.0344","0.0004","77.359","0.001","78.816","0.001","88.811","0.001","839.87","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O10 -","- C16 H18 O10 -","- C32 H36 O20 -","2","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.0355","0.0329","","","0.0859","0.0888","","","","","","1.046","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206968","10.8013","0.0003","17.556","0.0005","20.4806","0.0005","69.649","0.002","76.099","0.002","73.507","0.002","3447.92","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H96 Ag F6 O20 P -","- C60.5 H94 Ag F6 O20 P -","- C121 H188 Ag2 F12 O40 P2 -","2","1","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54184","CuKα","","0.0949","0.0623","","","0.1548","0.1762","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206969","21.3724","0.0005","24.3735","0.0004","24.5548","0.0005","112.362","0.0008","106.978","0.0009","105.948","0.0009","10180.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Ag2 F12 O16 P2 -","- C60 H88 Ag2 F12 O16 P2 -","- C360 H528 Ag12 F72 O96 P12 -","6","3","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.1457","0.0996","","","0.2436","0.2758","","","","","","1.045","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206970","15.1333","0.0004","19.3949","0.0005","23.3326","0.0006","90","","90","","90","","6848.3","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0904","0.0533","","","0.1145","0.1316","","","","","","1.036","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206971","14.8806","0.0003","19.7336","0.0004","23.4274","0.0006","90","","90","","90","","6879.4","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0899","0.0558","","","0.1231","0.1422","","","","","","1.02","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206972","5.8602","0.0009","11.1388","0.0017","12.2634","0.0018","77.982","0.002","77.019","0.002","80.274","0.002","756.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu N2 O10 -","- C32 H32 Cu N2 O10 -","- C32 H32 Cu N2 O10 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.048","0.0369","","","0.075","0.0795","","","","","","1.034","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206973","16.475","0.003","20.866","0.004","12.955","0.002","90","","92.389","0.002","90","","4449.6","1.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H46 Cu2 N4 O13 -","- C44 H46 Cu2 N4 O13 -","- C176 H184 Cu8 N16 O52 -","4","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0562","0.0407","","","0.088","0.0951","","","","","","1.029","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206974","28.262","0.005","9.1619","0.0018","20.511","0.004","90","","90","","90","","5311","1.7","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C28 H25 N3 Ni O5 -","- C28 H25 N3 Ni O5 -","- C224 H200 N24 Ni8 O40 -","8","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1216","0.0674","","","0.1716","0.2049","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206975","7.57","0.02","10.52","0.03","12.86","0.03","92.6","0.03","100.14","0.03","93.61","0.03","1004","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N4 Ni O10 -","- C44 H46 N4 Ni O10 -","- C44 H46 N4 Ni O10 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1165","0.0747","","","0.1748","0.1979","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206976","7.1309","0.0009","11.1104","0.0015","13.2196","0.0017","91.756","0.002","91.702","0.002","92.444","0.002","1045.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Co N4 O12 -","- C44 H50 Co N4 O12 -","- C44 H50 Co N4 O12 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.057","0.0412","","","0.0887","0.0935","","","","","","1.049","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206977","10.4471","0.0009","11.3138","0.0009","16.9704","0.0014","87.387","0.001","80.218","0.001","66.141","0.001","1807.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Co2 N3 O9 -","- C38 H36 Co2 N3 O9 -","- C76 H72 Co4 N6 O18 -","2","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0369","0.0293","","","0.0748","0.078","","","","","","1.027","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206978","10.507","0.002","10.643","0.002","23.51","0.005","90","","90","","90","","2629","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cu4 I6 N4 -","- C14 H14 Cu4 I6 N4 -","- C56 H56 Cu16 I24 N16 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0618","0.0523","","","0.1217","0.1349","","","","","","1.003","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206979","14.015","0.003","14.015","0.003","6.6579","0.0013","90","","90","","90","","1307.7","0.5","223","2","223","2","","","","","","","","5","P 42","P 4c","77","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C36 H44 Cu4 I8 N8 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0366","0.0293","","","0.0496","0.0526","","","","","","0.991","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206980","20.19","0.003","20.19","0.003","6.4628","0.0013","90","","90","","90","","2634.5","0.8","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C72 H88 Cu8 I16 N16 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0529","0.0509","","","0.1193","0.1208","","","","","","1.036","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206981","12.472","0.0018","12.472","0.0018","6.7927","0.0014","90","","90","","90","","1056.6","0.3","223","2","223","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C7 H9 Cu I2 N -","- C7 H10 Cu I2 N -","- C28 H40 Cu4 I8 N4 -","4","0.25","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0316","0.0299","","","0.0756","0.0765","","","","","","1.172","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206982","17.911","0.003","17.911","0.003","6.827","0.0014","90","","90","","90","","2190.1","0.7","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H11 Cu I2 N -","- C8 H11 Cu I2 N -","- C64 H88 Cu8 I16 N8 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0435","0.0407","","","0.089","0.0902","","","","","","1.174","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206983","9.2235","0.001","9.83","0.001","10.5498","0.0013","84.376","0.007","65.63","0.006","86.336","0.008","866.81","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O10 U -","- C12 H14 N2 O10 U -","- C24 H28 N4 O20 U2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0335","0.0282","","","0.0678","0.0693","","","","","","1.026","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206984","9.1796","0.0006","9.9326","0.0006","10.5607","0.0006","88.852","0.004","65.327","0.004","84.468","0.003","870.7","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N3 O7.5 U -","- C15 H14 N3 O7.5 U -","- C30 H28 N6 O15 U2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0275","0.0261","","","0.0651","0.0657","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206985","8.9172","0.0006","27.7936","0.0018","10.6743","0.0005","90","","113.777","0.004","90","","2421","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O11 U -","- C24 H16 N4 O11 U -","- C96 H64 N16 O44 U4 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.03","0.0212","","","0.0465","0.0484","","","","","","1.022","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206986","5.5628","0.0003","6.5429","0.0003","13.8049","0.0009","99.877","0.004","91.181","0.004","111.977","0.003","457.06","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O14 U -","- C16 H16 O14 U -","- C16 H16 O14 U -","1","0.5","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0218","0.0206","","","0.0498","0.0499","","","","","","1.058","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206987","13.2312","0.0004","12.9824","0.0007","25.096","0.0013","90","","96.853","0.003","90","","4280","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 O38 U3 -","- C24 H42 O38 U3 -","- C96 H168 O152 U12 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0584","0.0345","","","0.0656","0.0703","","","","","","1.016","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206988","10.963","0.007","7.953","0.004","16.433","0.006","90","","97.92","0.03","90","","1419.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0514","0.0511","","","0.1112","0.1113","","","","","","1.489","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206989","15.027","0.011","5.096","0.003","18.258","0.007","90","","104.15","0.03","90","","1355.7","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0588","0.0519","","","0.1541","0.1593","","","","","","1.105","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206990","71.963","0.014","4.995","0.002","8.096","0.011","90","","92.19","0.08","90","","2908","4","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 N5 O6 -","- C28 H43 N5 O6 -","- C112 H172 N20 O24 -","4","0.5","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.259","0.0612","","","0.1866","0.2558","","","","","","0.935","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206991","19.3146","0.0004","8.46572","0.00007","8.94208","0.0001","90","","94.522","0.0012","90","","1457.59","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","suberoylanilide hydroxamic acid","suberoylanilide hydroxamic acid","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","powder diffraction","","1.5418","CuKα","","","","","","","","","2.8322","","","","","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206992","10.511","0.0013","16.749","0.002","18.137","0.002","88.538","0.002","77.585","0.002","87.949","0.002","3115.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 O18 S4 -","- C56 H84 O18 S4 -","- C112 H168 O36 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1092","0.0831","","","0.2157","0.233","","","","","","1.037","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206993","10.501","0.008","30.32","0.02","18.838","0.014","90","","101.453","0.015","90","","5878","7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H72 O16 S4 -","- C54 H72 O16 S4 -","- C216 H288 O64 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1585","0.1143","","","0.2411","0.2646","","","","","","1.117","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206994","17.0728","0.0015","20.25","0.0018","17.4372","0.0016","90","","103.453","0.002","90","","5863","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H64 N O14 S4 -","- C53 H64 N O14 S4 -","- C212 H256 N4 O56 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0987","0.0549","","","0.1348","0.1466","","","","","","0.888","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206995","10.3369","0.0008","13.2291","0.001","13.3387","0.0011","85.405","0.001","79.615","0.001","81.554","0.001","1772","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 O14 S4 -","- C34 H32 O14 S4 -","- C68 H64 O28 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0772","0.0562","","","0.133","0.1444","","","","","","0.996","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7206996","10.0799","0.0016","10.1897","0.0017","20.368","0.003","98.999","0.002","90.299","0.002","115.445","0.002","1859.7","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 O14 S4 -","- C35 H32 O14 S4 -","- C70 H64 O28 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0595","0.0424","","","0.0957","0.1073","","","","","","1.021","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206997","7.9311","0.0007","19.6432","0.0017","15.5657","0.0013","90","","90","","90","","2425","0.4","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C52 H44 N4 O14 S4 -","- C52 H28 N4 O14 S4 -","- C104 H56 N8 O28 S8 -","2","0.25","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1294","0.1231","","","0.2887","0.2913","","","","","","1.269","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206998","22.541","0.0006","22.541","0.0006","14.6276","0.0005","90","","90","","90","","7432.2","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H20 Cu2 I2 N4 -","- C14 H20 Cu2 I2 N4 -","- C224 H320 Cu32 I32 N64 -","16","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0365","0.0324","","","0.0838","0.0857","","","","","","1.071","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206999","9.171","0.0005","9.8","0.0005","19.7984","0.001","90","","94.348","0.001","90","","1774.28","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cl2 Co N8 O12 -","- C26 H44 Cl2 Co N8 O12 -","- C52 H88 Cl4 Co2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0423","0.0379","","","0.0962","0.0988","","","","","","1.062","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207000","12.4667","0.0006","9.3666","0.0005","14.1959","0.0007","90","","112.62","0.001","90","","1530.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0258","0.0241","","","0.0638","0.0646","","","","","","1.067","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207001","16.6738","0.0008","8.988","0.0004","11.4645","0.0006","90","","106.824","0.001","90","","1644.58","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N4 Zn -","- C13 H18 Cl2 N4 Zn -","- C52 H72 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0344","0.0289","","","0.0869","0.1067","","","","","","1.226","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207002","11.9395","0.0006","8.8292","0.0005","15.6367","0.0009","90","","96.73","0.001","90","","1637","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N4 Zn -","- C14 H20 Cl2 N4 Zn -","- C56 H80 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0426","0.0353","","","0.0835","0.0866","","","","","","1.044","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207003","9.1059","0.0007","9.757","0.0007","19.2007","0.0014","90","","101.22","0.002","90","","1673.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Co N8 O12 -","- C24 H40 Cl2 Co N8 O12 -","- C48 H80 Cl4 Co2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0398","0.0353","","","0.0891","0.0921","","","","","","1.053","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207004","8.9695","0.0005","15.7723","0.0009","12.5159","0.0007","90","","98.588","0.001","90","","1750.77","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 Cl2 Cu N8 O11 -","- C26.723 H42.892 Cl2 Cu N8 O10.723 -","- C53.446 H85.784 Cl4 Cu2 N16 O21.446 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.046","0.0419","","","0.106","0.1198","","","","","","1.093","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207005","8.9908","0.0013","15.88","0.002","12.7955","0.0018","90","","100.11","0.003","90","","1798.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H46 Cl2 Cu N8 O11 -","- C28 H46 Cl2 Cu N8 O11 -","- C56 H92 Cl4 Cu2 N16 O22 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0506","0.047","","","0.1128","0.1158","","","","","","1.041","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207006","8.911","0.008","10.004","0.009","19.252","0.017","90","","101.2","0.02","90","","1684","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Cu N8 O12 -","- C24 H40 Cl2 Cu N8 O12 -","- C48 H80 Cl4 Cu2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.083","0.0659","","","0.173","0.1862","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207007","8.7644","0.0006","15.8088","0.0011","11.4395","0.0008","90","","104.002","0.002","90","","1537.9","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0444","0.0373","","","0.0933","0.0966","","","","","","1.066","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207008","8.7376","0.0014","15.69","0.003","11.0903","0.0017","90","","102.331","0.003","90","","1485.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0265","0.0242","","","0.0608","0.0618","","","","","","1.056","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207009","10.253","0.005","10.665","0.005","10.74","0.005","94.601","0.005","113.788","0.005","110.685","0.005","970.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N2 O14 Zn3 -","- C42 H28 N2 O14 Zn3 -","- C42 H28 N2 O14 Zn3 -","1","0.5","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0411","0.0297","","","0.082","0.0883","","","","","","1.039","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207010","15.236","0.005","13.873","0.005","15.344","0.005","90","","109.954","0.005","90","","3048.5","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O11 Zn2 -","- C34 H24 N2 O11 Zn2 -","- C136 H96 N8 O44 Zn8 -","4","0.5","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0635","0.0418","","","0.1199","0.1355","","","","","","0.902","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207011","26.912","0.005","14.301","0.005","13.659","0.005","90","","98.357","0.005","90","","5201","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N4 O17 Zn2 -","- C54 H40 N4 O17 Zn2 -","- C216 H160 N16 O68 Zn8 -","4","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.1639","0.0695","","","0.1681","0.1941","","","","","","1.02","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207012","8.359","0.005","16.453","0.005","25.367","0.005","90","0.005","94.624","0.005","90","0.005","3477","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O15 Zn2 -","- C36 H24 N2 O15 Zn2 -","- C144 H96 N8 O60 Zn8 -","4","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.072","0.0431","","","0.1003","0.118","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207013","8.536","0.005","11.784","0.005","17.045","0.005","78.081","0.005","78.047","0.005","78.722","0.005","1620.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O15 Zn2 -","- C36 H26 N2 O15 Zn2 -","- C72 H52 N4 O30 Zn4 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0728","0.0463","","","0.1159","0.1281","","","","","","1.037","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207014","10.3966","0.0011","10.3966","0.0011","27.848","0.006","90","","90","","120","","2606.8","0.7","298","2","298","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H60 Cl4 Cu5 N6 O34 -","- C30 H60 Cl4 Cu5 N6 O34 -","- C60 H120 Cl8 Cu10 N12 O68 -","2","0.166667","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0883","0.0657","","","0.1729","0.1847","","","","","","1.168","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207015","12.8299","0.0016","28.962","0.0018","15.5709","0.0011","90","","103.01","0.02","90","","5637.3","1","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H150 Cl6 N12 O75 Zn9 -","- C60 H150 Cl6 N12 O75 Zn9 -","- C120 H300 Cl12 N24 O150 Zn18 -","2","0.25","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0542","0.0443","","","0.1158","0.1204","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207016","9.5334","0.0019","10.12","0.002","12.316","0.002","70.239","0.003","86.463","0.003","70.013","0.003","1048.9","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Cd2 Cl2 N6 O20 -","- C30 H52 Cd2 Cl2 N6 O20 -","- C30 H52 Cd2 Cl2 N6 O20 -","1","0.5","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0792","0.0591","","","0.114","0.1189","","","","","","1.013","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207017","24.083","0.003","8.6672","0.0017","18.565","0.002","90","","119.03","0.03","90","","3388.3","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cd Cl N3 O8 -","- C10 H24 Cd Cl N3 O8 -","- C80 H192 Cd8 Cl8 N24 O64 -","8","1","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.1484","0.0929","","","0.1923","0.2127","","","","","","1.184","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207018","6.793","0.005","19.313","0.005","18.629","0.005","90","0.005","100.286","0.005","90","0.005","2405","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cu N5 O9 -","- C24 H20 Cu N5 O9 -","- C96 H80 Cu4 N20 O36 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71069","MoKα","","0.0627","0.039","","","0.0856","0.0936","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207019","10.215","0.005","11.102","0.005","15.493","0.005","90","0.005","91.653","0.005","90","0.005","1756.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cu N3 O9 -","- C16 H13 Cu N3 O9 -","- C64 H52 Cu4 N12 O36 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71069","MoKα","","0.037","0.0341","","","0.0969","0.0988","","","","","","1.087","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207020","8.516","0.0015","10.2138","0.0019","10.5778","0.0019","108.121","0.002","93.204","0.002","101.663","0.002","849.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cd N3 O7 -","- C16 H11 Cd N3 O7 -","- C32 H22 Cd2 N6 O14 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.041","0.0329","","","0.0741","0.0773","","","","","","1.014","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207021","11.5358","0.0008","8.9425","0.0006","12.825","0.0009","90","","101.533","0.001","90","","1296.3","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Cd N5 O10 -","- C24 H22 Cd N5 O10 -","- C48 H44 Cd2 N10 O20 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.0187","0.0183","","","0.0531","0.0536","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207022","24.252","0.003","8.9154","0.0011","14.8686","0.0018","90","","109.953","0.001","90","","3021.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cd N6 O3 -","- C13 H10 Cd N6 O3 -","- C104 H80 Cd8 N48 O24 -","8","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0552","0.0433","","","0.1221","0.132","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207023","23.742","0.005","8.9651","0.0018","16.641","0.003","90","","108.13","0.03","90","","3366.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24.48 Cd2 N20 O2.24 -","- C26 H24.48 Cd2 N20 O2.24 -","- C104 H97.92 Cd8 N80 O8.96 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0659","0.059","","","0.1563","0.1672","","","","","","1.046","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207024","22.854","0.005","8.9005","0.0019","15.976","0.003","90","","108.176","0.002","90","","3087.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N20 O3 Zn2 -","- C26 H26 N20 O3 Zn2 -","- C104 H104 N80 O12 Zn8 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0352","0.0282","","","0.0692","0.0728","","","","","","1.067","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207025","13.78","0.002","7.6575","0.0013","10.3601","0.0018","90","","101.124","0.002","90","","1072.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cd N9 -","- C8 H6 Cd N9 -","- C32 H24 Cd4 N36 -","4","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0289","0.027","","","0.0672","0.0682","","","","","","1.136","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207026","16.896","0.003","16.987","0.003","9.7748","0.0019","90","","119.087","0.002","90","","2451.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N10 O7 Zn2 -","- C16 H20 N10 O7 Zn2 -","- C64 H80 N40 O28 Zn8 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0454","0.0371","","","0.1105","0.1151","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207027","14.078","0.003","9.3366","0.0017","22.029","0.004","90","","100.811","0.003","90","","2844.1","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Mn2 N20 -","- C26 H20 Mn2 N20 -","- C104 H80 Mn8 N80 -","4","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.1031","0.0493","","","0.1022","0.1214","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207028","6.4347","0.0006","6.917","0.0007","7.7596","0.0006","90.268","0.004","107.581","0.004","108.201","0.003","310.89","0.05","167","2","167","2","","","","","","","","5","P -1","-P 1","2","Trans-diaqua-bis(ethylenediamine-N, N')-copper(ii) oxalate","Trans-diaqua-bis(ethylenediamine-N, N')-copper(II) oxalate","","- C6 H20 Cu N4 O6 -","- C6 H20 Cu N4 O6 -","- C6 H20 Cu N4 O6 -","1","0.5","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.046","0.0414","","","0.0951","0.0982","","","","","","1.081","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207029","9.8795","0.0009","9.6336","0.0009","14.4612","0.0015","90","","91.718","0.005","90","","1375.7","0.2","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tris(ethylenediamine-N,N')-copper(ii) oxalate","tris(ethylenediamine-N,N')-copper(II) oxalate","","- C8 H24 Cu N6 O4 -","- C8 H24 Cu N6 O4 -","- C32 H96 Cu4 N24 O16 -","4","1","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.1153","0.0628","","","0.1265","0.143","","","","","","1.038","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207030","7.4525","0.0019","8.971","0.002","13.349","0.004","71.49","0.02","89.61","0.02","82.827","0.018","839.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.61 H2O","di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.61 H2O","","- C9 H27.61 Co N6 O7.805 -","- C9 H24 Co N6 O7.804 -","- C18 H48 Co2 N12 O15.608 -","2","1","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.0896","0.0789","","","0.2028","0.2147","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207031","28.964","0.002","10.3615","0.0005","12.7579","0.0008","90","","114.446","0.002","90","","3485.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.5 H2O","di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.5 H2O","","- C18 H62 Co2 N12 O19 -","- C18 H48 Co2 N12 O19 -","- C72 H192 Co8 N48 O76 -","4","0.5","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.1132","0.0641","","","0.1532","0.1759","","","","","","1.052","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207032","11.805","0.002","24.903","0.005","9.881","0.002","90","","103.12","0.03","90","","2829","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 In N2 O6 -","- C33 H20 In N2 O6 -","- C132 H80 In4 N8 O24 -","4","1","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0729","0.0405","","","0.0783","0.0887","","","","","","1.017","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207033","5.9716","0.0012","28.516","0.006","7.5076","0.0015","90","","90","","90","","1278.4","0.5","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H11 In O6 -","- C14 H11 In O6 -","- C56 H44 In4 O24 -","4","0.5","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0394","0.0366","","","0.1212","0.1228","","","","","","1.019","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207034","23.129","0.005","39.47","0.008","40.61","0.008","90","","90","","90","","37073","13","294","2","294","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H26 In N O9 -","- C30 H20 In N O9 -","- C960 H640 In32 N32 O288 -","32","1","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.1479","0.0696","","","0.1404","0.1613","","","","","","1.035","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207035","10.4984","0.0003","7.7273","0.0002","15.4282","0.0004","90","","97.228","0.002","90","","1241.66","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Mn O8 -","- C11 H9 Mn O8 -","- C44 H36 Mn4 O32 -","4","1","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0449","0.0353","","","0.1046","0.1072","","","","","","1.095","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207036","17.3858","0.0005","7.7932","0.0003","10.8696","0.0004","90","","93.685","0.003","90","","1469.69","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H36 Mn2 O20 -","- C22 H17 Mn2 O20 -","- C44 H34 Mn4 O40 -","2","0.5","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0398","0.0364","","","0.0944","0.0962","","","","","","1.024","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207037","14.862","0.004","6.2531","0.0018","10.122","0.003","90","","90.938","0.004","90","","940.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Mn O7 -","- C8 H6 Mn O7 -","- C32 H24 Mn4 O28 -","4","1","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0329","0.0303","","","0.0876","0.0891","","","","","","1.106","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207038","18.7769","0.0014","19.8686","0.0014","8.7734","0.0006","90","","100.967","0.006","90","","3213.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O4 Zn -","- C28 H24 N10 O4 Zn -","- C112 H96 N40 O16 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.0917","0.0692","","","0.2033","0.2168","","","","","","1.038","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207039","18.7806","0.0005","19.9045","0.0005","8.7871","0.0002","90","","100.981","0.001","90","","3224.64","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O Zn -","- C28 H24 N10 O Zn -","- C112 H96 N40 O4 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.1016","0.0815","","","0.2585","0.2764","","","","","","1.151","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207040","18.5462","0.0009","20.0824","0.001","8.7759","0.0005","90","","101.244","0.003","90","","3205.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O5 Zn -","- C28 H24 N10 O5 Zn -","- C112 H96 N40 O20 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.1247","0.0809","","","0.2285","0.2649","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207041","18.5114","0.0007","20.0115","0.0008","8.7093","0.0003","90","","100.555","0.002","90","","3171.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N10 O4 -","- C28 H24 Co N10 O4 -","- C112 H96 Co4 N40 O16 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.0903","0.0669","","","0.2051","0.2256","","","","","","1.066","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207042","9.545","0.004","10.223","0.003","13.408","0.006","72.634","0.006","74.208","0.005","62.075","0.005","1089.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.1652","0.0521","","","0.0825","0.1015","","","","","","1.027","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207043","9.755","0.002","10.131","0.002","13.114","0.003","75.536","0.017","71.965","0.018","62.562","0.015","1084.9","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.0795","0.0469","","","0.1121","0.1301","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207044","13.6224","0.0003","13.6224","0.0003","7.4935","0.0003","90","","90","","120","","1204.27","0.06","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0677","0.0682","","","","","","1.101","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207045","13.6614","0.0019","13.6614","0.0019","7.4147","0.0015","90","","90","","120","","1198.4","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 O27 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0239","0.0232","","","0.063","0.0637","","","","","","1.078","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207046","13.6319","0.0019","13.6319","0.0019","7.3817","0.0015","90","","90","","120","","1188","0.3","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0296","0.0284","","","0.0733","0.0743","","","","","","1.096","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207047","6.9904","0.0004","9.6565","0.0004","14.2151","0.0006","82.948","0.004","85.238","0.004","76.655","0.004","925.1","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu La2 N4 O26 -","- C20 H28 Cu La2 N4 O26 -","- C20 H28 Cu La2 N4 O26 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.03","0.0237","","","0.0591","0.0599","","","","","","1.046","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207048","6.9645","0.0014","9.7081","0.0019","14.259","0.003","82.88","0.03","85.24","0.03","76.75","0.03","929.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu N4 O26 Pr2 -","- C20 H28 Cu N4 O26 Pr2 -","- C20 H28 Cu N4 O26 Pr2 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0366","0.0297","","","0.0768","0.0807","","","","","","1.088","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207049","6.9007","0.0002","9.6327","0.0004","14.1655","0.0004","82.82","0.003","84.971","0.002","76.703","0.003","907.49","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu N4 Nd2 O26 -","- C20 H28 Cu N4 Nd2 O26 -","- C20 H28 Cu N4 Nd2 O26 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0262","0.0218","","","0.0556","0.0562","","","","","","1.025","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207050","9.6073","0.0011","13.1029","0.0015","15.144","0.0019","90","","100.668","0.004","90","","1873.4","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 Cu N9 O8 -","- C10 H21 Cu N9 O8 -","- C40 H84 Cu4 N36 O32 -","4","1","","Zhu, Xia; Feng, Yun-Fei; Li, Min; Li, Bao-Long; Zhang, Yong","A novel T4(1)6(1) water tape encapsulated in a (3,3)-connected 2D copper metal‒organic framework","CrystEngComm","2012","14","1","79","","10.1039/c1ce05866e","","","0.71075","MoKα","","0.0775","0.061","","","0.1462","0.1572","","","","","","1.085","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207051","13.3464","0.0006","13.8945","0.0004","14.565","0.0006","90","","114.553","0.005","90","","2456.73","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N0 Ni2 O18 -","- C18 H10 Ni2 O18 -","- C72 H40 Ni8 O72 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0381","0.0306","","","0.0893","0.0909","","","","","","1.115","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207052","7.429","","24.143","","24.275","","90","","96.58","","90","","4325.24","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 N8 Ni2 O12 -","- C46 H38 N8 Ni2 O12 -","- C184 H152 N32 Ni8 O48 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0523","0.0308","","","0.064","0.066","","","","","","0.953","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207053","12.6861","0.0008","13.3872","0.001","13.4602","0.0008","91.588","0.005","100.888","0.005","115.561","0.007","2009.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 Co2 N6 O12.5 -","- C39 H31 Co2 N6 O12.5 -","- C78 H62 Co4 N12 O25 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.13","0.0462","","","0.0613","0.0663","","","","","","0.797","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207054","17.93","0.005","20.008","0.005","22.662","0.005","90","0.005","90","0.005","90","0.005","8130","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co2 N9 O15 -","- C36 H28 Co2 N9 O15 -","- C288 H224 Co16 N72 O120 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1333","0.0629","","","0.1167","0.1411","","","","","","0.99","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207055","13.2776","0.0004","22.1202","0.0006","14.269","0.0004","90","","112.54","0.004","90","","3870.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H40 N4 Ni2 O17 -","- C29 H10 N4 Ni2 O17 -","- C116 H40 N16 Ni8 O68 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0761","0.0607","","","0.177","0.1836","","","","","","1.148","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207056","9.536","0.005","10.243","0.005","15.501","0.005","89.398","0.005","76.99","0.005","88.19","0.005","1474.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 O12 Zn3 -","- C27 H22 N4 O12 Zn3 -","- C54 H44 N8 O24 Zn6 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.0866","0.0517","","","0.1014","0.1183","","","","","","1.018","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207057","6.6602","0.0003","16.2245","0.0007","18.373","0.0009","90","","90.984","0.004","90","","1985.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N6 Ni O8 -","- C16 H15 N6 Ni O8 -","- C64 H60 N24 Ni4 O32 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0598","0.044","","","0.1133","0.1231","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207058","13.088","0.005","16.376","0.005","18.092","0.005","90","0.005","101.446","0.005","90","0.005","3801","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N12 O13 Zn2 -","- C32 H30 N12 O13 Zn2 -","- C128 H120 N48 O52 Zn8 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1319","0.0605","","","0.0866","0.1076","","","","","","0.985","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207059","9.731","0.005","10.12","0.005","10.597","0.005","67.258","0.005","62.83","0.005","75.866","0.005","853.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Co N3 O8.5 -","- C13 H9 Co N3 O8.5 -","- C26 H18 Co2 N6 O17 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1162","0.0691","","","0.1566","0.1864","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207060","21.092","0.005","15.132","0.005","12.318","0.005","90","0.005","100.208","0.005","90","0.005","3869","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N6 O5.5 Zn -","- C17 H17 N6 O5.5 Zn -","- C136 H136 N48 O44 Zn8 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.2149","0.0996","","","0.1502","0.1817","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207061","10.2763","0.0006","20.067","0.001","35.369","0.002","90","","92.915","0.006","90","","7284.2","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.348 H40 Cl0.652 Fe N0.348 O13 S32 -","- C209.392 H160 Cl2.608 Fe4 N1.392 O52 S128 -","4","0.5","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Bulanchuk, Pavlo O.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Structural phase transition in the β′′-(BEDT-TTF)4H3O[Fe(C2O4)3]·G crystals (where G is a guest solvent molecule)","CrystEngComm","2012","14","2","460","","10.1039/c1ce05878a","","","0.71073","MoKα","","0.054","0.039","","","0.0954","0.1008","","","","","","1.009","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207062","10.2649","0.0003","11.1956","0.0003","35.1514","0.001","88.619","0.002","86.651","0.002","62.748","0.003","3585.1","0.2","150","1","150","1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C104.7 H80 Cl1.3 Fe2 N0.7 O26 S64 -","2","1","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Bulanchuk, Pavlo O.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Structural phase transition in the β′′-(BEDT-TTF)4H3O[Fe(C2O4)3]·G crystals (where G is a guest solvent molecule)","CrystEngComm","2012","14","2","460","","10.1039/c1ce05878a","","","0.71073","MoKα","","0.0635","0.0519","","","0.1251","0.1305","","","","","","1.01","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207063","19.8124","0.0006","6.9607","0.0001","16.8179","0.0004","90","","123.61","0.017","90","","1931.6","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S7 Sb2 -","- C4 H16 In2 N2 S7 Sb2 -","- C16 H64 In8 N8 S28 Sb8 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0384","0.0338","","","0.0833","0.0875","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207064","20.0561","0.0016","7.0325","0.0003","16.8343","0.0016","90","","123.485","0.012","90","","1980.3","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S4.8 Sb2 Se2.2 -","- C4 H16 In2 N2 S4.801 Sb2 Se2.199 -","- C16 H64 In8 N8 S19.204 Sb8 Se8.796 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0586","0.0471","","","0.1212","0.1329","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207065","20.2182","0.0019","7.1175","0.0003","16.974","0.003","90","","123.619","0.014","90","","2034.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S2.8 Sb2 Se4.2 -","- C4 H16 In2 N2 S2.8 Sb2 Se4.2 -","- C16 H64 In8 N8 S11.2 Sb8 Se16.8 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0611","0.039","","","0.0596","0.0659","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207066","20.3648","0.0011","7.1872","0.0002","17.1677","0.0015","90","","123.551","0.009","90","","2094.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 Sb2 Se7 -","- C4 H16 In2 N2 Sb2 Se7 -","- C16 H64 In8 N8 Sb8 Se28 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0393","0.0253","","","0.0407","0.0415","","","","","","1.011","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207067","8.3589","0.0009","10.6257","0.0012","11.7957","0.0013","80.019","0.01","72.499","0.01","73.133","0.01","951.94","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2- benzothiazine-3-carboxamide 1,1-dioxide adipic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3- carboxamide 1,1-dioxide adipic acid","","- C17 H18 N3 O6 S2 -","- C17 H18 N3 O6 S2 -","- C34 H36 N6 O12 S4 -","2","1","","Tumanov, Nikolay A.; Myz, Svetlana A.; Shakhtshneider, Tatyana P.; Boldyreva, Elena V.","Are meloxicam dimers really the structure-forming units in the ‘meloxicam‒carboxylic acid’ co-crystals family? Relation between crystal structures and dissolution behaviour","CrystEngComm","2012","14","1","305","","10.1039/c1ce05902e","","","0.71073","MoKα","","0.0966","0.044","","","0.0746","0.0846","","","","","","0.855","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207068","8.5979","0.0006","10.4551","0.0006","11.7515","0.0007","91.355","0.005","107.856","0.006","109.444","0.006","938.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2- benzothiazine-3-carboxamide 1,1-dioxide terephtalic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3- carboxamide 1,1-dioxide terephtalic acid","","- C18 H16 N3 O6 S2 -","- C18 H16 N3 O6 S2 -","- C36 H32 N6 O12 S4 -","2","1","","Tumanov, Nikolay A.; Myz, Svetlana A.; Shakhtshneider, Tatyana P.; Boldyreva, Elena V.","Are meloxicam dimers really the structure-forming units in the ‘meloxicam–carboxylic acid’ co-crystals family? Relation between crystal structures and dissolution behaviour","CrystEngComm","2012","14","1","305","","10.1039/c1ce05902e","","","0.71073","MoKα","","0.0896","0.0432","","","0.0855","0.0954","","","","","","0.876","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7207069","11.31","0.002","17.162","0.003","17.335","0.003","88.01","0.01","82.742","0.01","70.891","0.01","3153.8","1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","MS 9-37 1,3,5-tri(C(CN)=NOH)benzene, 1,4-di(4-pyridyl)ethane","MS 9-37 1,3,5-tri(C(CN)=NOH)benzene, 1,4-di(4-pyridyl)ethane","","- C64.5 H54.75 N20.25 O6 -","- C64.5 H54.75 N20.25 O6 -","- C129 H109.5 N40.5 O12 -","2","1","","Aakeröy, Christer B.; Smith, Michelle M.; Desper, John","α,α′,α′′-Tris(hydroxyimino)-1,3,5-benzenetriacetonitrile: A three-fold symmetric, versatile and practical supramolecular building block","CrystEngComm","2012","14","1","71","","10.1039/c1ce05919j","","","0.71073","MoKα","","0.1118","0.0795","","","0.2227","0.2419","","","","","","1.404","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207070","9.8702","0.0015","13.7735","0.0019","8.146","0.0012","90","","123.368","0.005","90","","924.9","0.2","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from E:/powder/org3_fox/gsas/P21a.cif","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.0978","","3.11","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207071","12.207","0.006","16.487","0.008","7.495","0.004","90","","102.952","0.005","90","","1470","1.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from D:/swastik/orpow/ORG1/Newdata/ORG1INI_1.xtl","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.12078","","2.58","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207072","8.0139","0.0005","7.26162","0.00028","23.954","0.0018","90","","95.738","0.005","90","","1386.99","0.15","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from E:/CRYSTAL/Powder/TASKS/swastik_organic_final/org4/gsas/full_","","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.12078","","1.83","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207073","8.7691","0.0012","15.978","0.002","19.948","0.003","90","","96.217","0.002","90","","2778.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N2 O8 -","- C30 H24 Cu2 N2 O8 -","- C120 H96 Cu8 N8 O32 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0681","0.0391","","","0.088","0.101","","","","","","1.017","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207074","9.2137","0.0014","28.298","0.003","20.62","0.002","90","","90","","90","","5376.2","1.1","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H25 Co N3 O5 -","- C28 H17 Co N3 O5 -","- C224 H136 Co8 N24 O40 -","8","0.5","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.07","0.0621","","","0.1793","0.1842","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207075","9.94","0.005","9.87","0.005","26.176","0.014","90","","90","","90","","2568","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N3 O4 Zn -","- C12 H11 N3 O4 Zn -","- C96 H88 N24 O32 Zn8 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0908","0.0779","","","0.1889","0.1971","","","","","","1.157","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207076","17.156","0.002","11.1833","0.0014","21.237","0.003","90","","111.829","0.001","90","","3782.4","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cd N2 O4.5 -","- C20 H17 Cd N2 O4.5 -","- C160 H136 Cd8 N16 O36 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0401","0.0268","","","0.061","0.0676","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207077","19.2973","0.0012","15.0215","0.0009","19.6662","0.0012","90","","92.575","0.001","90","","5695","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cd3 N4 O14 -","- C56 H56 Cd3 N4 O14 -","- C224 H224 Cd12 N16 O56 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.049","0.0338","","","0.0826","0.0885","","","","","","1.056","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207078","7.664","0.002","7.924","0.002","19.461","0.005","85.113","0.003","88.303","0.004","88.893","0.004","1176.9","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O12 Zn -","- C24 H20 O12 Zn -","- C48 H40 O24 Zn2 -","2","1","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0703","0.0526","","","0.1201","0.1242","","","","","","1.077","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207079","8.718","0.003","10.699","0.004","21.624","0.008","93.194","0.005","100.816","0.005","112.086","0.005","1818","1.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H64 Co2 O37 -","- C72 H64 Co2 O37 -","- C72 H64 Co2 O37 -","1","0.5","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0841","0.0609","","","0.1343","0.1402","","","","","","1.047","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207080","9.862","0.006","10.381","0.006","18.348","0.011","100.222","0.008","104.613","0.007","91.281","0.008","1784.4","1.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H28 Cd3 O20 -","- C48 H28 Cd3 O20 -","- C48 H28 Cd3 O20 -","1","0.5","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0809","0.0502","","","0.1124","0.1218","","","","","","1.032","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207081","9.845","0.002","23.329","0.005","22.778","0.005","90","","101.54","0.03","90","","5126","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Mn3 N4 O12 -","- C56 H52 Mn3 N4 O12 -","- C224 H208 Mn12 N16 O48 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.089","0.0467","","","0.1121","0.1645","","","","","","1.099","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207082","28.7774","0.0018","9.6971","0.0006","18.9936","0.0012","90","","125.855","0.001","90","","4295.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Mn N2 O5 -","- C24 H22 Mn N2 O5 -","- C192 H176 Mn8 N16 O40 -","8","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0862","0.0642","","","0.1376","0.1493","","","","","","1.027","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207083","11.5778","0.0007","12.033","0.0007","15.859","0.0009","90.307","0.001","94.863","0.001","108.68","0.001","2084.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn N4 O8 -","- C48 H42 Mn N4 O8 -","- C96 H84 Mn2 N8 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0804","0.0592","","","0.1396","0.1511","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207084","14.406","0.0008","18.0665","0.001","20.624","0.0012","90","","90","","90","","5367.7","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C60 H57 Fe N6 O11.5 -","- C60 H57 Fe N6 O11.5 -","- C240 H228 Fe4 N24 O46 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0669","0.0603","","","0.1556","0.1598","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207085","9.2581","0.0006","13.0985","0.0009","18.1773","0.0012","97.65","0.001","97.648","0.001","107.288","0.001","2051","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 Co4 N8 O20 -","- C88 H88 Co4 N8 O20 -","- C88 H88 Co4 N8 O20 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0928","0.0685","","","0.1641","0.1836","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207086","31.7379","0.0008","9.5391","0.0002","28.4999","0.0007","90","","116.186","0.0008","90","","7742.8","0.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H82 Co4 N6 O21 -","- C78 H82 Co4 N6 O21 -","- C312 H328 Co16 N24 O84 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0453","0.0327","","","0.0789","0.0852","","","","","","1.038","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207087","14.3721","0.0007","12.7909","0.0006","12.599","0.0006","90","","97.234","0.001","90","","2297.66","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N2 O5 -","- C24 H22 Co N2 O5 -","- C96 H88 Co4 N8 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0689","0.0516","","","0.1229","0.1309","","","","","","1.06","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207088","32.932","0.007","9.4843","0.0019","27.667","0.006","90","","116.54","0.03","90","","7731","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H75 Co4 N6 O17.5 -","- C84 H75 Co4 N6 O17.5 -","- C336 H300 Co16 N24 O70 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.1328","0.0651","","","0.1645","0.2255","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207089","9.2982","0.0005","13.1243","0.0007","18.0169","0.001","97.222","0.001","97.784","0.001","107.232","0.001","2048.41","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N8 Ni4 O20 -","- C88 H88 N8 Ni4 O20 -","- C88 H88 N8 Ni4 O20 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0769","0.0599","","","0.146","0.1568","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207090","15.1908","0.0011","10.2298","0.0008","15.6092","0.0012","90","","109.949","0.001","90","","2280.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 Ni O5 -","- C24 H22 N2 Ni O5 -","- C96 H88 N8 Ni4 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.097","0.0637","","","0.1428","0.1583","","","","","","1.015","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207091","14.7048","0.0006","13.1186","0.0005","26.8081","0.0008","90","","131.266","0.001","90","","3887.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cu2 N4 O8 -","- C44 H40 Cu2 N4 O8 -","- C176 H160 Cu8 N16 O32 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0821","0.0701","","","0.1598","0.1675","","","","","","1.107","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207092","15.0898","0.001","12.3402","0.0008","12.2249","0.0008","90","","107.505","0.001","90","","2171","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu N2 O5 -","- C24 H22 Cu N2 O5 -","- C96 H88 Cu4 N8 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0692","0.0533","","","0.1207","0.128","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207093","10.036","0.002","12.322","0.003","25.767","0.005","90","","93.06","0.03","90","","3181.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C144 H136 Cu4 N8 O32 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0542","0.0379","","","0.1168","0.1574","","","","","","1.093","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207094","10.988","0.002","14.253","0.003","11.358","0.002","90","","108.93","0.03","90","","1682.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C72 H68 Cu2 N4 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0593","0.043","","","0.0919","0.1102","","","","","","1.006","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207095","9.3469","0.0005","13.1507","0.0007","18.4605","0.0009","98.535","0.001","97.856","0.001","107.013","0.001","2106.52","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N8 O20 Zn4 -","- C88 H88 N8 O20 Zn4 -","- C88 H88 N8 O20 Zn4 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0876","0.0613","","","0.1518","0.1693","","","","","","1.002","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207096","9.0401","0.0004","10.1153","0.0005","13.3557","0.0005","105.957","0.0015","93.6439","0.001","95.9421","0.0015","1162.5","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 O6 Zn -","- C24 H24 N2 O6 Zn -","- C48 H48 N4 O12 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0666","0.0394","","","0.1016","0.1432","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207097","10.991","0.002","14.254","0.003","11.361","0.002","90","","108.93","0.03","90","","1683.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O8 Zn -","- C36 H34 N2 O8 Zn -","- C72 H68 N4 O16 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0632","0.0463","","","0.1043","0.1225","","","","","","1.013","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207098","22.638","0.005","9.995","0.002","19.913","0.004","90","","96.34","0.03","90","","4478.1","1.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 N4 O11 Zn2 -","- C48 H46 N4 O11 Zn2 -","- C192 H184 N16 O44 Zn8 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.1138","0.0719","","","0.1746","0.2172","","","","","","1.15","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207099","15.8078","0.0004","15.8078","0.0004","9.2047","0.0003","90","","90","","120","","1991.97","0.1","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- C13.5 H21 O3 -","- C13.5 H22.5 O3 -","- C81 H135 O18 -","6","0.333333","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71069","MoKα","","0.0385","0.0379","","","0.0967","0.0973","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207100","13.076","0.006","6.162","0.003","23.616","0.012","90","","102.183","0.009","90","","1860","1.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.1076","0.0752","","","0.1661","0.1801","","","","","","1.108","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207101","6.9496","0.0007","17.9193","0.0019","22.411","0.002","90","","90.75","0.002","90","","2790.6","0.5","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 O9 -","- C27 H42 O9 -","- C108 H168 O36 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.142","0.1097","","","0.2311","0.2485","","","","","","1.179","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207102","13.422","0.003","9.1054","0.0016","16.551","0.006","90","","119.1","0.02","90","","1767.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S3 -","- C18 H20 O3 S3 -","- C72 H80 O12 S12 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.0374","0.033","","","0.0815","0.0832","","","","","","1.107","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207103","10.5423","0.0017","10.5423","0.0017","20.448","0.004","90","","90","","120","","1968.1","0.6","298","2","298","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.026","0.0242","","","0.0507","0.0516","","","","","","1.056","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207104","10.5544","0.0002","10.5544","0.0002","20.4446","0.0006","90","","90","","120","","1972.32","0.08","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0207","0.0177","","","0.0337","0.0346","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207105","10.2531","0.0002","10.2531","0.0002","20.2456","0.0006","90","","90","","120","","1843.2","0.07","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","1.54178","CuKα","","0.024","0.0235","","","0.0595","0.0597","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207106","10.2723","0.0004","10.2723","0.0004","20.4692","0.0009","90","","90","","120","","1870.54","0.13","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0323","0.0262","","","0.0539","0.0635","","","","","","1.123","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207107","13.359","0.003","11.451","0.003","9.571","0.002","90","","117.517","0.004","90","","1298.5","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0362","0.0346","","","0.0823","0.0835","","","","","","1.134","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207108","4.738","0.002","9.523","0.005","14.954","0.007","91.602","0.009","96.669","0.009","94.446","0.009","667.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0797","0.0571","","","0.123","0.1334","","","","","","1.11","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207109","3.9434","0.0011","21.648","0.006","14.748","0.004","90","","96.449","0.005","90","","1251","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 S -","- C16 H10 N2 S -","- C64 H40 N8 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0724","0.0615","","","0.1191","0.1233","","","","","","1.185","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207110","3.989","0.002","21.214","0.011","11.076","0.006","90","","97.855","0.009","90","","928.5","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.1519","0.1078","","","0.2525","0.2789","","","","","","1.071","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207111","7.353","0.004","13.472","0.008","9.327","0.006","90","","108.714","0.01","90","","875.1","0.9","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N5 -","- C10 H5 N5 -","- C40 H20 N20 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.124","0.0763","","","0.1505","0.1688","","","","","","1.117","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207112","16.708","0.002","15.732","0.002","14.436","0.001","90","","107.79","0.01","90","","3613.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2-(4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl) ethyl)phthalazin-1(2H)-one","","- C17 H16 N6 O S2 -","- C17 H16 N6 O S2 -","- C136 H128 N48 O8 S16 -","8","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.1054","0.0465","","","0.1068","0.1355","","","","","","1.021","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207113","9.161","0.001","14.063","0.001","13.109","0.001","90","","102.12","0.01","90","","1651.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-(4-chloro-6-(methylthio)-1H-pyrazolo [3,4-d]pyrimidin-1-yl)ethyl)phthalazin-1(2H)-one","","- C16 H13 Cl N6 O S -","- C16 H13 Cl N6 O S -","- C64 H52 Cl4 N24 O4 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0782","0.0461","","","0.1075","0.1225","","","","","","1.028","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207114","9.249","0.001","17.58","0.002","11.55","0.002","90","","105.11","0.01","90","","1813.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","2-(2-(4-methoxy-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C17 H16 N6 O4 S -","- C17 H16 N6 O4 S -","- C68 H64 N24 O16 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.1033","0.0486","","","0.1113","0.1354","","","","","","1.056","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207115","18.2274","0.0005","15.2903","0.0004","13.9319","0.0005","90","","108.746","0.003","90","","3676.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","3-(2-(4-methoxy-6-(methylsulfonyl)- 1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) quinazolin-4(3H)-one","","- C17 H16 N6 O4 S -","- C17 H16 N6 O4 S -","- C136 H128 N48 O32 S8 -","8","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0663","0.0403","","","0.1075","0.1144","","","","","","1.005","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207116","13.6729","0.0008","9.0043","0.0006","13.8349","0.0008","90","","90.388","0.005","90","","1703.24","0.18","294","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","none","2-(2-(4-chloro-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C16 H13 Cl N6 O3 S -","- C16 H13 Cl N6 O3 S -","- C64 H52 Cl4 N24 O12 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0319","0.0315","","","0.0812","0.0816","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207117","8.137","0.0016","14.468","0.003","10.377","0.002","90","","90","","90","","1221.6","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H7 Cl2 N O5 Pb -","- C9 H7 Cl2 N O5 Pb -","- C36 H28 Cl8 N4 O20 Pb4 -","4","0.5","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0467","0.0278","","","0.0657","0.073","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207118","13.55","0.003","8.96","0.0018","13.82","0.003","90","","99.16","0.03","90","","1656.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O5 Pb S -","- C16 H12 N2 O5 Pb S -","- C64 H48 N8 O20 Pb4 S4 -","4","1","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0506","0.0323","","","0.0873","0.129","","","","","","1.04","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207119","7.9092","0.0005","11.2366","0.0006","19.2416","0.001","90","","95.413","0.006","90","","1702.42","0.17","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cu N2 O4 S2 -","- C18 H12 Cu N2 O4 S2 -","- C72 H48 Cu4 N8 O16 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0547","0.0303","","","0.0532","0.0553","","","","","","0.994","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207120","15.308","0.003","16.129","0.002","7.999","0.002","90","","110.94","0.03","90","","1844.5","0.7","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H14 Cu N2 O5 S2 -","- C16 H14 Cu N2 O5 S2 -","- C64 H56 Cu4 N8 O20 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0845","0.0585","","","0.1231","0.1292","","","","","","1.023","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207121","7.7845","0.0005","12.2006","0.0006","12.2707","0.0006","109.26","0.004","94.393","0.005","99.606","0.004","1073.86","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cu2 N O10 S4 -","- C15 H18 Cu2 N O10 S4 -","- C30 H36 Cu4 N2 O20 S8 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0532","0.0376","","","0.1112","0.1153","","","","","","0.996","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207122","13.9737","0.0007","13.9846","0.0006","16.1404","0.0008","112.092","0.004","98.552","0.004","104.588","0.004","2722.1","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Cl2 Mn2 N8 O14 S2 -","- C54 H40 Cl2 Mn2 N8 O14 S2 -","- C108 H80 Cl4 Mn4 N16 O28 S4 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.1294","0.0511","","","0.0896","0.0966","","","","","","0.981","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207123","14.4203","0.0008","14.8169","0.0007","15.5464","0.0007","89.536","0.004","62.541","0.005","65.838","0.005","2621.5","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 Cl2 Mn2 N9 O12 S2 -","- C51 H40 Cl2 Mn2 N9 O12 S2 -","- C102 H80 Cl4 Mn4 N18 O24 S4 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0681","0.0448","","","0.1066","0.1198","","","","","","1.011","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207124","12.056","0.002","15.736","0.003","17.49","0.004","73.04","0.03","74.49","0.03","78.36","0.03","3030.5","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 Ce F18 N4 O12 -","- C55 H49 Ce F18 N4 O12 -","- C110 H98 Ce2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.0381","0.0325","","","0.0702","0.0726","","","","","","1.06","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207125","11.259","0.002","17.207","0.003","23.884","0.006","90","","117.99","0.02","90","","4085.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F18 N2 O9 Pr -","- C30 H24 F18 N2 O9 Pr -","- C120 H96 F72 N8 O36 Pr4 -","4","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.1","0.0666","","","0.1244","0.1369","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207126","12.421","0.003","15.856","0.003","18.21","0.004","69.13","0.03","73.1","0.03","89.59","0.03","3187.7","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 F18 N4 O12 Pr -","- C55 H49 F18 N4 O12 Pr -","- C110 H98 F36 N8 O24 Pr2 -","2","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.1007","0.0796","","","0.2258","0.24","","","","","","1.102","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207127","10.953","0.005","17.082","0.008","23.293","0.009","90","","116.581","0.017","90","","3897","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ce F18 N2 O9 -","- C30 H24 Ce F18 N2 O9 -","- C120 H96 Ce4 F72 N8 O36 -","4","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.0366","0.0344","","","0.0815","0.083","","","","","","1.045","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207128","8.3732","0.0004","19.281","0.0009","15.4445","0.0007","90","","90.89","0.002","90","","2493.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn -","- C24 H20 N4 O7 Zn -","- C96 H80 N16 O28 Zn4 -","4","1","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0886","0.041","","","0.095","0.1035","","","","","","1.006","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207129","9.0807","0.0015","11.36","0.0016","13.2607","0.0019","92.714","0.013","106.281","0.016","107.242","0.014","1241.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd N4 O8 -","- C24 H26 Cd N4 O8 -","- C48 H52 Cd2 N8 O16 -","2","1","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0258","0.0236","","","0.0599","0.0612","","","","","","1.071","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207130","9.2535","0.0002","10.2529","0.0002","11.8897","0.0003","91.372","0.001","111.487","0.001","102.427","0.001","1018.47","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N4 O12 Zn2 -","- C40 H46 N4 O12 Zn2 -","- C40 H46 N4 O12 Zn2 -","1","0.5","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0492","0.0399","","","0.1245","0.1287","","","","","","1.085","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207131","27.298","0.004","10.7049","0.0012","15.889","0.003","90","","122.48","0.01","90","","3916.8","1.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C164 H170 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","1","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.046","0.0455","","","0.1181","0.1185","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207132","26.316","0.006","14.8918","0.0019","8.0849","0.0017","90","","105.687","0.017","90","","3050.4","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 N3 O8 Zn2 -","- C27 H31 N3 O8 Zn2 -","- C108 H124 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0308","0.0293","","","0.0789","0.0799","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207133","11.5721","0.0009","18.1584","0.001","13.846","0.001","90","","110.258","0.006","90","","2729.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cl2 I2 N3 Zn -","- C25 H23 Cl2 I2 N3 Zn -","- C100 H92 Cl8 I8 N12 Zn4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0375","0.0373","","","0.0996","0.0996","","","","","","1.268","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207134","9.0269","0.0009","10.144","0.001","10.6092","0.0011","62.324","0.006","65.248","0.006","70.093","0.006","768.3","0.14","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C38 H38 N6 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0723","0.0558","","0.1785","0.0783","0.0621","","","","","","1.1032","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207135","7.2109","0.0008","7.3813","0.0009","7.3993","0.0009","61.433","0.002","66.1","0.002","71.148","0.002","312.1","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 N4 O8 S2 Zn -","- C6 H10 N4 O8 S2 Zn -","- C6 H10 N4 O8 S2 Zn -","1","0.5","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0253","0.0251","","","0.069","0.0691","","","","","","1.153","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207136","8.6676","0.0014","10.1917","0.0016","7.5121","0.0012","90","","95.644","0.003","90","","660.38","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cd N4 O8 S2 -","- C6 H10 Cd N4 O8 S2 -","- C12 H20 Cd2 N8 O16 S4 -","2","0.5","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0209","0.0195","","","0.0508","0.0517","","","","","","1.072","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207137","7.5543","0.0015","5.4219","0.001","14.26","0.003","90","","90.59","0.004","90","","584","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 Ag N2 O3 S -","- C3 H3 Ag N2 O3 S -","- C12 H12 Ag4 N8 O12 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0408","0.039","","","0.1008","0.1044","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207138","10.3639","0.0015","7.1327","0.001","10.1111","0.0015","90","","115.701","0.002","90","","673.49","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N2 Na O4 S -","- C3 H5 N2 Na O4 S -","- C12 H20 N8 Na4 O16 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0749","0.0766","","","","","","1.113","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207139","8.9194","0.0017","7.2408","0.0014","11.226","0.002","90","","101.787","0.003","90","","709.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N3 O3 S -","- C3 H7 N3 O3 S -","- C12 H28 N12 O12 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0302","0.0293","","","0.0802","0.081","","","","","","1.098","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207140","19.807","0.0003","27.714","0.0005","27.847","0.0005","90","","90","","90","","15286.1","0.5","200","2","200","2","","","","","","","","5","P n m n","-P 2n 2n","58","","","","- C33 H35 N3 O10.5 Zn2 -","- C24 H12 O7.5 Zn2 -","- C192 H96 O60 Zn16 -","8","1","","Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.","The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker","CrystEngComm","2012","14","1","188","","10.1039/c1ce06044a","","","0.71073","MoKα","","0.1209","0.0602","","","0.1523","0.1769","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207141","15.331","0.0002","17.957","0.0003","16.533","0.0003","90","","117.704","0.001","90","","4029.73","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.9 H35.1 Co1.5 N3.3 O9.3 -","- C33.9 H35.1 Co1.5 N3.3 O9.3 -","- C135.6 H140.4 Co6 N13.2 O37.2 -","4","1","","Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.","The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker","CrystEngComm","2012","14","1","188","","10.1039/c1ce06044a","","","0.71073","MoKα","","0.1507","0.0775","","","0.2087","0.2547","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207142","4.7998","0.0019","23.277","0.018","30.22","0.02","90","","90","","90","","3376","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C11 H23 Cd N3 O14 -","- C11 H9 Cd N2 O6 -","- C88 H72 Cd8 N16 O48 -","8","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1411","0.0882","","","0.2066","0.2357","","","","","","1.067","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207143","5.0975","0.0003","11.4735","0.0006","29.143","0.002","90","","90","","90","","1704.46","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H27 N2 O13 Zn -","- C11 H17 N2 O8 Zn -","- C44 H68 N8 O32 Zn4 -","4","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0891","0.0766","","","0.2013","0.2084","","","","","","1.015","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207144","7.0378","0.001","13.4247","0.0019","13.0933","0.0018","90","","90.475","0.013","90","","1237","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd Cl N2 O4 -","- C11 H9 Cd Cl N2 O4 -","- C44 H36 Cd4 Cl4 N8 O16 -","4","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1006","0.0858","","","0.229","0.2369","","","","","","1.15","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207145","7.0505","0.0009","7.7448","0.0009","8.4534","0.0009","107.543","0.01","95.451","0.01","98.716","0.01","430.17","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","1","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0525","0.0434","","","0.0959","0.1028","","","","","","0.856","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207146","7.8622","0.0005","7.8443","0.0004","14.2865","0.0009","90","","102.523","0.006","90","","860.14","0.09","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H12 Cd N2 O8 -","- C16 H12 Cd N2 O8 -","- C32 H24 Cd2 N4 O16 -","2","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.051","0.0452","","","0.1035","0.1065","","","","","","1.126","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207147","10.277","0.003","15.593","0.005","9.715","0.003","90","","114.844","0.006","90","","1412.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H10 F8 I4 -","- C28 H10 F8 I4 -","- C56 H20 F16 I8 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0545","0.0459","","","0.1029","0.1074","","","","","","1.087","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207148","8.3885","0.0002","18.3017","0.0004","13.1838","0.0004","90","","105.268","0.001","90","","1952.59","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.056","0.0373","","","0.0889","0.0991","","","","","","1.016","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207149","9.2348","0.0002","17.6801","0.0004","7.3278","0.0002","90","","101.34","0.002","90","","1173.07","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(3-Aminopyridinium) 2,5-dihydrogenpyromellitate tetrahydrate","bis(3-Aminopyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate tetrahydrate","","- C20 H26 N4 O12 -","- C20 H26 N4 O12 -","- C40 H52 N8 O24 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0955","0.0486","","","0.1166","0.1288","","","","","","0.895","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207150","6.6314","0.0002","9.5284","0.0003","9.8203","0.0003","66.511","0.003","87.534","0.002","83.336","0.002","565.25","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","bis(4-Carboxyanilinium) 2,5-dihydrogenpyromellitate","bis(4-Carboxyphenylammonium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C24 H20 N2 O12 -","- C24 H20 N2 O12 -","- C24 H20 N2 O12 -","1","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0502","0.0444","","","0.1305","0.1344","","","","","","1.069","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207151","7.0774","0.0002","7.5332","0.0003","19.418","0.0006","90","","94.931","0.003","90","","1031.45","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Nicotinium) 2,5-dihydrogenpyromellitate","bis(3-Carboxypyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","- C44 H32 N4 O24 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0552","0.0346","","","0.0877","0.0926","","","","","","0.969","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207152","7.2785","0.0002","7.3763","0.0002","10.0274","0.0002","72.392","0.002","87.792","0.002","76.164","0.002","497.91","0.02","298","2","298","2","","","","","","","","4","P -1","-P 1","2","bis(Nicotinium) 2,5-dihydrogenpyromellitate","bis(3-Carboxypyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","1","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0421","0.036","","","0.1037","0.1067","","","","","","1.063","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207153","23.8597","0.0008","7.267","0.0002","19.5048","0.0008","90","","117.713","0.001","90","","2993.96","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Ag2 N14 O5 -","- C28 H26 Ag2 N14 O5 -","- C112 H104 Ag8 N56 O20 -","4","0.5","","Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation","CrystEngComm","2012","14","2","480","","10.1039/c1ce06089a","","","0.71073","MoKα","","0.0253","0.0223","","","0.0615","0.079","","","","","","1.195","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207154","49.174","0.008","8.9007","0.0015","12.382","0.002","90","","102.613","0.003","90","","5288.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Ag2 N12 O5 -","- C24 H22 Ag2 N12 O5 -","- C192 H176 Ag16 N96 O40 -","8","1","","Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation","CrystEngComm","2012","14","2","480","","10.1039/c1ce06089a","","","0.71073","MoKα","","0.0684","0.0666","","","0.1718","0.1732","","","","","","1.087","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207155","12.472","0.002","12.472","0.002","19.703","0.003","90","","90","","120","","2654.2","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.83 Eu N2 O8.41 -","- C6 H7.828 Eu N2 O8.414 -","- C54 H70.452 Eu9 N18 O75.726 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0137","0.0135","","","0.0329","0.033","","","","","","1.04","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207156","12.439","0.0009","12.439","0.0009","19.67","0.0015","90","","90","","120","","2635.8","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.04 Gd N2 O8.52 -","- C6 H8.036 Gd N2 O8.51867 -","- C54 H72.324 Gd9 N18 O76.668 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0338","0.0339","","","","","","1.017","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207157","12.404","0.001","12.404","0.001","19.6075","0.0016","90","","90","","120","","2612.6","0.4","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.06 N2 O8.53 Tb -","- C6 H8.064 N2 O8.532 Tb -","- C54 H72.576 N18 O76.788 Tb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0123","0.0122","","","0.0303","0.0303","","","","","","1.068","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207158","12.359","0.002","12.359","0.002","19.602","0.003","90","","90","","120","","2593","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8 Dy N2 O8.5 -","- C6 H8.008 Dy N2 O8.504 -","- C54 H72.072 Dy9 N18 O76.536 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0126","0.0125","","","0.0291","0.0291","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207159","12.2943","0.0008","12.2943","0.0008","19.556","0.003","90","","90","","120","","2559.9","0.5","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.57 Er N2 O8.79 -","- C6 H8.572 Er N2 O8.78667 -","- C54 H77.148 Er9 N18 O79.08 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0167","0.0166","","","0.0398","0.0398","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207160","12.2284","0.0016","12.2284","0.0016","19.605","0.005","90","","90","","120","","2538.8","0.8","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.93 N2 O8.46 Yb -","- C6 H7.928 N2 O8.46 Yb -","- C54 H71.352 N18 O76.14 Yb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0195","0.0194","","","0.0454","0.0454","","","","","","1.084","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207161","12.4387","0.0009","12.4387","0.0009","19.6706","0.0015","90","","90","","120","","2635.7","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.94 Gd N2 O8.47 -","- C6 H7.936 Gd N2 O8.46667 -","- C54 H71.424 Gd9 N18 O76.2 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0615","0.0616","","","","","","1.086","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207162","22.42158","0.00019","22.42158","0.00019","22.42158","0.00019","90","","90","","90","","11271.9","0.17","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C92 H127 N11 O24 Si2 Zn4 -","- C48.05 H28.032 O13.012 Si2 Zn4 -","- C192.2 H112.128 O52.048 Si8 Zn16 -","4","0.166667","","Davies, Robert P.; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","An organosilicon hexacarboxylic acid and its use in the construction of a novel metal organic framework isoreticular to MOF-5","CrystEngComm","2012","14","3","758","","10.1039/c1ce06091k","","","1.54184","CuKα","","0.118","0.1007","","","0.3406","0.3593","","","","","","1.382","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207163","11.511","0.002","12.436","0.003","12.095","0.002","90","","102.05","0.03","90","","1693.3","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamerazine-1,4-dioxane (1:1)","Sulfamerazine-1,4-dioxane (1:1)","","- C15 H20 N4 O4 S -","- C15 H20 N4 O4 S -","- C60 H80 N16 O16 S4 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0494","0.0462","","","0.1192","0.1219","","","","","","1.104","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207164","7.7675","0.0016","8.1233","0.0016","12.631","0.003","91.16","0.03","95.69","0.03","105.23","0.03","764.3","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-1,4-dioxane (1:0.5)","Sulfamerazine-1,4-dioxane (1:0.5)","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C26 H32 N8 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0487","0.0464","","","0.1106","0.1125","","","","","","1.116","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207165","9.774","0.002","12.556","0.003","14.659","0.003","76.58","0.03","77.57","0.03","86.18","0.03","1708.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-dimethylformamide(1:1)","Sulfamerazine-dimethylformamide(1:1)","","- C14 H19 N5 O3 S -","- C14 H19 N5 O3 S -","- C56 H76 N20 O12 S4 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0828","0.0725","","","0.1708","0.1783","","","","","","1.185","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207166","7.6792","0.0015","8.3101","0.0017","15.125","0.003","93.13","0.03","101.81","0.03","104.77","0.03","907.7","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-dimethylacetamide(1:1)","Sulfamerazine-dimethylacetamide(1:1)","","- C15 H21 N5 O3 S -","- C15 H21 N5 O3 S -","- C30 H42 N10 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0675","0.0641","","","0.1661","0.1694","","","","","","1.104","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207167","5.965","0.0012","9.6479","0.0019","14.817","0.003","76.16","0.03","83.05","0.03","89.71","0.03","821.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-cyclopentanone(1:1)","Sulfamerazine-cyclopentanone(1:1)","","- C16 H20 N4 O3 S -","- C16 H20 N4 O3 S -","- C32 H40 N8 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0591","0.0571","","","0.1564","0.1576","","","","","","1.151","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207168","7.8319","0.0016","8.1117","0.0016","15.358","0.003","76.47","0.03","77.04","0.03","73.54","0.03","896.6","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-3-Picoline(1:1)","Sulfamerazine-3-Picoline(1:1)","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C34 H38 N10 O4 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0502","0.0477","","","0.1198","0.1233","","","","","","1.117","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207169","13.0158","0.0009","13.0158","0.0009","10.8532","0.0004","90","","90","","120","","1592.32","0.17","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Mn(DMSO)4(H2O)2][Mn2TCNQ3]","","","- C44 H40 Mn3 N12 O6 S4 -","- C36 H12 Mn2.999 N12 -","- C36 H12 Mn2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.1027","0.0821","","","0.2513","0.2809","","","","","","1.022","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207170","12.9515","0.0004","12.9515","0.0004","10.8818","0.0002","90","","90","","120","","1580.78","0.07","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Cd(DMSO)4(H2O)2][Cd2TCNQ3]","","","- C44 H40 Cd3 N12 O6 S4 -","- C36 H12 Cd2.999 N12 -","- C36 H12 Cd2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.043","0.039","","","0.1149","0.1181","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207171","12.7447","0.0004","12.7447","0.0004","10.7107","0.0003","90","","90","","120","","1506.63","0.08","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Zn(DMSO)4(H2O)2][Zn2TCNQ3]","","","- C44 H40 N12 O6 S4 Zn3 -","- C36 H12 N12 Zn3 -","- C36 H12 N12 Zn3 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.0883","0.0827","","","0.2757","0.2859","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207172","12.8814","0.0003","12.8814","0.0003","22.0591","0.0004","90","","90","","120","","3169.89","0.12","130","2","130","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","[Mn(bipy)3][Mn2TCNQ3].2MeOH","","","- C68 H44 Mn3 N18 O2 -","- C36 H12 Mn3 N12 -","- C72 H24 Mn6 N24 -","2","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.107","0.099","","","0.3149","0.3385","","","","","","1.501","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207173","12.097","0.003","10.088","0.002","26.807","0.006","90","","90","","90","","3271.4","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1,3-benzothiazole-2-yl","","","- C17 H15 Cl N2 O2 S -","- C17 H15 Cl N2 O2 S -","- C136 H120 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0538","0.0528","","","0.1024","0.103","","","","","","1.318","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207174","14.1449","0.0013","9.9181","0.0009","25.167","0.002","90","","90","","90","","3530.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","6-methyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O2 S -","- C18 H17 Cl N2 O2 S -","- C144 H136 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0647","0.0625","","","0.1182","0.1192","","","","","","1.342","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207175","14.9642","0.0018","7.717","0.0009","18.704","0.003","90","","116.669","0.002","90","","1930.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-methoxy-1,3-benzothiazole-2-yl","","","- C19 H21 Cl N2 O4 S -","- C19 H21 Cl N2 O4 S -","- C76 H84 Cl4 N8 O16 S4 -","4","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0477","0.0376","","","0.0916","0.1027","","","","","","1.058","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207176","23.731","0.002","13.7198","0.0014","17.4841","0.0018","90","","102.16","0.002","90","","5564.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-ethoxy-1,3-benzothiazole-2-yl","","","- C19 H19 Cl N2 O3 S -","- C19 H19 Cl N2 O3 S -","- C228 H228 Cl12 N24 O36 S12 -","12","3","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0532","0.0408","","","0.0933","0.0999","","","","","","1.038","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207177","7.2962","0.0007","9.8387","0.001","13.9567","0.0014","77.188","0.002","84.71","0.002","76.498","0.002","949.07","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","6-chloro-1,3-benzothiazole-2-yl","","","- C18 H18 Cl2 N2 O3 S -","- C18 H18 Cl2 N2 O3 S -","- C36 H36 Cl4 N4 O6 S2 -","2","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0337","0.0315","","","0.0833","0.0849","","","","","","1.054","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207178","7.395","0.002","7.653","0.002","15.958","0.004","90.156","0.005","96.693","0.004","99.998","0.004","883.1","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","6-nitro-1,3-benzothiazole-2-yl","","","- C17 H14 Cl N3 O4 S -","- C17 H14 Cl N3 O4 S -","- C34 H28 Cl2 N6 O8 S2 -","2","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.06","0.0424","","","0.1163","0.1335","","","","","","1.094","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207179","29.002","0.003","8.6295","0.0009","16.5593","0.0018","90","","113.948","0.002","90","","3787.6","0.7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6-methanesulfonyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O4 S2 -","- C18 H17 Cl N2 O4 S2 -","- C144 H136 Cl8 N16 O32 S16 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.052","0.0388","","","0.1022","0.1178","","","","","","1.126","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207180","15.8708","0.0006","15.8708","0.0006","24.2726","0.0016","90","","90","","120","","5294.7","0.4","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 K6 N2 O39 Pb6 -","- C80 H59.94 K6 N2 O39 Pb6 -","- C160 H119.88 K12 N4 O78 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0381","0.0366","","","0.1102","0.1115","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207181","16.0334","0.0001","16.0334","0.0001","24.3028","0.001","90","","90","","120","","5410.5","0.2","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 N2 O39 Pb6 Rb6 -","- C80 H59.94 N2 O39 Pb6 Rb6 -","- C160 H119.88 N4 O78 Pb12 Rb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0493","0.0476","","","0.1536","0.1543","","","","","","1.082","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207182","16.231","0.003","16.231","0.003","24.466","0.005","90","","90","","120","","5581.9","1.9","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 Cs6 N2 O39 Pb6 -","- C80 H59.94 Cs6 N2 O38.99 Pb6 -","- C160 H119.88 Cs12 N4 O77.98 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0622","0.0615","","","0.2397","0.2407","","","","","","1.014","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207183","13.5107","0.0016","23.38","0.003","5.8727","0.0007","90","","90","","90","","1855.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C28 H24 K2 O16 Pb S2 -","- C28 H20 K2 O16 Pb S2 -","- C56 H40 K4 O32 Pb2 S4 -","2","0.25","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0684","0.0599","","","0.1968","0.2034","","","","","","1.093","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207184","11.3401","0.0005","25.0935","0.001","22.874","0.0011","90","","96.895","0.004","90","","6462","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cs2 N2 O20 Pb2 S3 -","- C48 H38 Cs2 N2 O20 Pb2 S3 -","- C192 H152 Cs8 N8 O80 Pb8 S12 -","4","1","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0876","0.0769","","","0.2212","0.2345","","","","","","1.024","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207185","6.869","0.002","12.205","0.005","15.661","0.005","88.608","0.009","78.867","0.01","85.617","0.008","1284.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C68 H44 O8 S4 -","2","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.0636","0.0524","","","0.1358","0.1449","","","","","","1.062","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207186","20.585","0.006","5.2382","0.0016","12.441","0.004","90","","90.471","0.004","90","","1341.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C68 H44 O8 S4 -","2","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.0845","0.0691","","","0.2044","0.2275","","","","","","1.091","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207187","5.5787","0.0012","27.608","0.007","16.771","0.004","90","","90","","90","","2583","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C136 H88 O16 S8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.1169","0.0728","","","0.1658","0.1962","","","","","","0.977","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207188","12.774","0.004","16.152","0.005","21.355","0.007","90","","101.427","0.004","90","","4319","2","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N4 O4 -","- C44 H60 N4 O4 -","- C176 H240 N16 O16 -","4","1","","Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui","Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake","CrystEngComm","2012","14","3","1021","","10.1039/c1ce06126g","","","0.71075","MoKα","","0.1428","0.0916","","","0.1768","0.2041","","","","","","1.114","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207189","12.836","0.008","16.215","0.009","21.46","0.013","90","","101.817","0.01","90","","4372","5","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44.4 H60 N4 O4.8 -","- C44.4 H60 N4 O4.8 -","- C177.6 H240 N16 O19.2 -","4","1","","Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui","Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake","CrystEngComm","2012","14","3","1021","","10.1039/c1ce06126g","","","0.71075","MoKα","","0.2393","0.1433","","","0.3704","0.4355","","","","","","1.213","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207190","6.8976","0.0004","36.792","0.002","8.2696","0.0005","90","","106.286","0.003","90","","2014.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 Cu N4 O2 -","- C36 H62 Cl4 Cu N4 O2 -","- C72 H124 Cl8 Cu2 N8 O4 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","0.71073","MoKα","","0.0523","0.0353","","","0.0852","0.1287","","","","","","1.096","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207191","6.8484","0.0003","36.7066","0.0014","8.289","0.0003","90","","105.25","0.002","90","","2010.33","0.14","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 N4 O2 Zn -","- C36 H62 Cl4 N4 O2 Zn -","- C72 H124 Cl8 N8 O4 Zn2 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","1.54178","CuKα","","0.0286","0.0277","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207192","10.1143","0.0005","20.9362","0.0013","14.6323","0.0007","90","","104.153","0.001","90","","3004.4","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 I N2 S -","- C14 H17 I N2 S -","- C112 H136 I8 N16 S8 -","8","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0285","0.0219","","","0.0452","0.0467","","","","","","1.038","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207193","9.621","0.007","15.234","0.011","13.948","0.01","90","","93.849","0.014","90","","2040","3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O5 S2 -","- C20 H24 N2 O5 S2 -","- C80 H96 N8 O20 S8 -","4","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0713","0.0637","","","0.1321","0.1368","","","","","","1.091","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207194","7.965","0.003","16.675","0.005","17.439","0.006","90","","100.69","0.005","90","","2276","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O4 S2 -","- C22 H27 N3 O4 S2 -","- C88 H108 N12 O16 S8 -","4","1","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0657","0.0562","","","0.1501","0.1561","","","","","","1.162","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207195","6.9177","0.0005","7.2342","0.0004","12.4632","0.001","78.221","0.002","89.685","0.002","64.885","0.005","550.53","0.07","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","HT18A","","","- C9 H10 Co O9 -","- C9 H10 Co O9 -","- C18 H20 Co2 O18 -","2","1","","Chung, Huey-Ting; Yang, Chen-I; Yang, En-Che; Peng, Chia-Chien; Tsai, Hui-Lien; Liu, Yen-Hsiang","Metamagnetic behavior and moisture-absorption induced reversible network assembly of a cobalt-1,2,4-benzenetricarboxylate supramolecular network","CrystEngComm","2012","14","4","1317","","10.1039/c1ce06182h","","x-ray","0.71073","MoKα","","0.108","0.0896","","","0.2266","0.2399","","","","","","1.158","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207196","16.125","0.003","25.632","0.005","30.125","0.006","90","","95.55","0.03","90","","12393","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C202 H324 Ca4 Cu6 N16 O49 S10 -","- C204 H312 Ca4 Cu6 N16 O49 S10 -","- C408 H624 Ca8 Cu12 N32 O98 S20 -","2","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.1236","0.1131","","","0.359","0.3768","","","","","","1.637","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207197","17.731","0.004","15.981","0.003","28.505","0.006","90","","90","","90","","8077","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Cu2 N6 O14 S2 Sr -","- C76 H120 Cu2 N6 O14 S2 Sr -","- C304 H480 Cu8 N24 O56 S8 Sr4 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0579","0.0551","","","0.1576","0.1602","","","","","","1.073","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207198","18.512","0.004","15.92","0.003","27.967","0.006","90","","90","","90","","8242","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Ba Cu2 N6 O14 S2 -","- C76 H120 Ba Cu2 N6 O14 S2 -","- C304 H480 Ba4 Cu8 N24 O56 S8 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0933","0.0849","","","0.2494","0.2585","","","","","","1.09","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207199","8.375","0.004","11.257","0.005","15.807","0.006","69.947","0.007","75.476","0.007","84.278","0.007","1355","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N6 O9 -","- C27 H27 N6 O9 -","- C54 H54 N12 O18 -","2","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.0886","0.0637","","","0.1807","0.2101","","","","","","1.028","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207200","14.348","0.012","8.033","0.007","35.93","0.03","90","","90","","90","","4141","6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 N9 O9 -","- C15 H21 N9 O9 -","- C120 H168 N72 O72 -","8","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.1666","0.072","","","0.1182","0.1513","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207201","8.6775","0.0007","15.7719","0.0012","10.9612","0.0008","90","","96.066","0.001","90","","1491.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.0466","0.0393","","","0.1062","0.1121","","","","","","1.06","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207202","10.953","0.002","23.056","0.005","19.811","0.004","90","","99.88","0.03","90","","4928.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7383","synchrotron","","0.0557","0.0494","","","0.1544","0.1633","","","","","","1.033","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207203","10.906","0.002","20.212","0.004","19.769","0.004","90","","99.22","0.03","90","","4301.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7513","synchrotron","","0.05","0.0476","","","0.1374","0.1396","","","","","","1.093","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207204","10.92","0.002","20.369","0.004","19.792","0.004","90","","99.59","0.03","90","","4340.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7388","synchrotron","","0.0472","0.0453","","","0.1302","0.1327","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207205","25.745","0.006","9.538","0.002","3.9843","0.001","90","","95.716","0.004","90","","973.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H5 Br2 Cu2 N2 -","- C7 H5 Br2 Cu2 N2 -","- C28 H20 Br8 Cu8 N8 -","4","0.5","","Feng, Sisi; Lv, Haigang; Li, Zhongping; Feng, Guoqin; Lu, Liping; Zhu, Miaoli","The first example of rhombic dodecahedral CuBr clusters in a novel mixed-valence Cu(i,ii)‒benzimidazole complex","CrystEngComm","2012","14","1","98","","10.1039/c1ce06215h","","","0.71073","MoKα","","0.081","0.057","","","0.1604","0.19","","","","","","1.127","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207206","8.031","0.002","8.682","0.002","19.335","0.005","98.961","0.006","93.476","0.011","99.983","0.007","1306.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","poly(tricadmium bis(1,2-bis(imidazol-1'-yl)ethane) (1,4- bis((pyridinium-4-carboxylate)methyl)benzene) (u-Br)tetrabromide bis(N,N-Dimethylformamide))","","","- C21 H25 Br3 Cd1.5 N6 O3 -","- C21 H25 Br3 Cd1.5 N6 O3 -","- C42 H50 Br6 Cd3 N12 O6 -","2","1","","Li, Xiaoju; Guo, Xiaofang; Weng, XiuLan; Lin, Shen","Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands","CrystEngComm","2012","14","4","1412","","10.1039/c1ce06216f","","","0.71073","MoKα","","0.0351","0.0283","","","0.0685","0.0721","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207207","16.592","0.005","10.452","0.003","16.77","0.005","90","","90.42","0.007","90","","2908.2","1.5","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","poly(Dicadmium bis(1,4-bis(imidazol-1'-yl)butane)bis(u-bromide)dibromide)","","","- C20 H28 Br4 Cd2 N8 O0 -","- C20 H28 Br4 Cd2 N8 -","- C80 H112 Br16 Cd8 N32 -","4","1","","Li, Xiaoju; Guo, Xiaofang; Weng, XiuLan; Lin, Shen","Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands","CrystEngComm","2012","14","4","1412","","10.1039/c1ce06216f","","","0.71073","MoKα","","0.0548","0.0383","","","0.0825","0.0901","","","","","","1.07","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207208","18.9009","0.0005","18.9009","0.0005","10.257","0.0003","90","","90","","90","","3664.25","0.17","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C22 H26 Be4 N2 O16 -","- C18 H10 Be4 O16 -","- C72 H40 Be16 O64 -","4","0.25","","Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien","Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies","CrystEngComm","2012","14","1","95","","10.1039/c1ce06224g","","","0.71073","MoKα","","0.1312","0.0799","","","0.2405","0.2676","","","","","","1.024","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207209","19.305","0.0002","19.305","0.0002","19.305","0.0002","90","","90","","90","","7194.65","0.13","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C48 H60 Be3 N6 O24 -","- C36 H12 Be3 O24 -","- C144 H48 Be12 O96 -","4","0.0833333","","Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien","Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies","CrystEngComm","2012","14","1","95","","10.1039/c1ce06224g","","","0.71073","MoKα","","0.078","0.0711","","","0.2169","0.2216","","","","","","1.234","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207210","23.695","0.009","8.371","0.003","15.078","0.006","90","","98.54","0.04","90","","2958","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","- C80 H144 N16 O16 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0622","0.0386","","","0.086","0.0908","","","","","","1.035","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207211","7.697","0.002","8.166","0.002","12.5","0.004","73.39","0.02","79.86","0.02","80.27","0.02","735.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0296","0.0271","","","0.0708","0.0718","","","","","","1.109","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207212","8.511","","23.619","0.009","19.907","0.009","90","","109.35","0.04","90","","3776","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 N4 O4 P2 S4 -","- C30 H49 N4 O4 P2 S4 -","- C120 H196 N16 O16 P8 S16 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.1617","0.0859","","","0.1684","0.1819","","","","","","1.123","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207213","21.051","0.011","15.013","0.008","15.837","0.008","90","","131.65","0.03","90","","3740","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.83 H41.66 Cl1.67 N4 O5 P2 S4 -","- C26.833 H41.664 Cl1.666 N4 O5 P2 S4 -","- C107.332 H166.656 Cl6.664 N16 O20 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.1396","0.074","","","0.2027","0.2232","","","","","","0.985","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207214","45.212","0.002","8.3601","0.0004","19.7758","0.002","90","","105.821","0.007","90","","7191.6","0.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H54 N4 O4 P2 S4 -","- C27 H54 N4 O4 P2 S4 -","- C216 H432 N32 O32 P16 S32 -","8","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0804","0.0662","","","0.1638","0.1732","","","","","","1.047","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207215","8.307","0.003","16.535","0.006","20.361","0.007","90","","105.04","0.02","90","","2700.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 N4 O4 S2 -","- C25 H26 Cl2 N4 O4 S2 -","- C100 H104 Cl8 N16 O16 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0698","0.0515","","","0.1525","0.1604","","","","","","1.086","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207216","8.651","0.0017","8.653","0.0017","8.658","0.0017","61.51","0.03","61.51","0.03","61.51","0.03","473.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H4 Ag3 N7 -","- C5 H4 Ag3 N7 -","- C10 H8 Ag6 N14 -","2","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0533","0.0452","","","0.1001","0.1027","","","","","","1.222","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207217","14.331","0.002","8.8966","0.0014","14.657","0.002","90","","103.572","0.002","90","","1816.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 Ag3 N7 -","- C13 H20 Ag3 N7 -","- C52 H80 Ag12 N28 -","4","0.5","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0265","0.024","","","0.052","0.0541","","","","","","1.071","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207218","9.134","0.004","18.973","0.007","15.354","0.006","90","","91.718","0.006","90","","2659.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Ag4 N8 -","- C18 H28 Ag4 N8 -","- C72 H112 Ag16 N32 -","4","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.1117","0.0586","","","0.1508","0.2015","","","","","","1.024","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207219","16.821","0.005","10.432","0.003","27.753","0.009","90","","90","","90","","4870","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H28 Ag3 N7 -","- C17 H28 Ag3 N7 -","- C136 H224 Ag24 N56 -","8","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0987","0.0697","","","0.195","0.2178","","","","","","1.108","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207220","6.285","0.0003","8.3874","0.0004","27.2578","0.0013","90","","90","","90","","1436.89","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71073","MoKα","","0.0354","0.0337","","","0.0883","0.0896","","","","","","1.1","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207221","9.607","0.002","5.9725","0.0014","13.838","0.004","90","","110.434","0.003","90","","744","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0479","0.0463","","","0.1182","0.1198","","","","","","1.046","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7207222","12.633","0.002","6.0545","0.0011","31.019","0.006","90","","102.008","0.003","90","","2320.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0467","0.042","","","0.1104","0.1147","","","","","","1.059","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207223","8.9656","0.0018","9.0023","0.0018","10.242","0.002","86.35","0.03","74.79","0.03","81.44","0.03","788.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cd N3 O8 -","- C13 H13 Cd N3 O8 -","- C26 H26 Cd2 N6 O16 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0256","0.0219","","","0.0641","0.066","","","","","","1.03","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207224","8.4601","0.0005","10.0552","0.0006","12.9572","0.0007","68.863","0.004","84.699","0.004","87.698","0.004","1023.66","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cd N5 O7 -","- C18 H17 Cd N5 O7 -","- C36 H34 Cd2 N10 O14 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0707","0.0681","","","0.1881","0.192","","","","","","1.01","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207225","9.4852","0.0019","11.06","0.002","11.768","0.002","90.17","0.03","93.31","0.03","101.11","0.03","1209.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N4 O14 Zn2 -","- C21 H12 N4 O14 Zn2 -","- C42 H24 N8 O28 Zn4 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0487","0.0373","","","0.1136","0.1251","","","","","","0.997","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207226","12.2062","0.0006","14.1995","0.0007","15.5626","0.0008","65.057","0.002","82.427","0.002","66.15","0.002","2234.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N6 O28 Zn5 -","- C37 H24 N6 O28 Zn5 -","- C74 H48 N12 O56 Zn10 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0288","0.0246","","","0.0623","0.0644","","","","","","1.04","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207227","12.608","0.004","14.324","0.005","15.693","0.005","63.256","0.004","81.245","0.004","64.466","0.003","2280.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 N6 O29 Zn5 -","- C37 H26 N6 O29 Zn5 -","- C74 H52 N12 O58 Zn10 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.056","0.0413","","","0.1091","0.1201","","","","","","1.035","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207228","34.433","0.012","12.141","0.003","30.332","0.008","90","","106.958","0.007","90","","12129","6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H120 N16 Na8 Ni4 O48 -","- C108 H90 N16 Na8 Ni4 O48 -","- C432 H360 N64 Na32 Ni16 O192 -","4","0.5","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0917","0.0806","","","0.2","0.2068","","","","","","1.141","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207229","15.932","0.003","8.8699","0.0019","19.24","0.004","90","","91.679","0.004","90","","2717.7","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N4 Ni O11 -","- C26 H20 Fe N4 Ni O11 -","- C104 H80 Fe4 N16 Ni4 O44 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0509","0.0481","","","0.1434","0.1455","","","","","","1.065","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207230","15.3667","0.001","9.0896","0.0006","24.9074","0.0012","90","","126.332","0.003","90","","2802.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 Ni2 O12 -","- C26 H26 N4 Ni2 O12 -","- C104 H104 N16 Ni8 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0349","0.0276","","","0.0688","0.0726","","","","","","1.038","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207231","8.9653","0.0018","15.482","0.003","19.932","0.004","90.78","0.03","91.84","0.03","91.97","0.03","2763.2","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 N8 Ni2 O26 Zn2 -","- C48 H52 N8 Ni2 O26 Zn2 -","- C96 H104 N16 Ni4 O52 Zn4 -","2","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.1016","0.062","","","0.1398","0.1735","","","","","","1.074","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207232","11.1075","0.0017","14.004","0.002","19.542","0.003","90","","92.756","0.003","90","","3036.2","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd N6 Ni O10 -","- C30 H30 Cd N6 Ni O10 -","- C120 H120 Cd4 N24 Ni4 O40 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0275","0.0221","","","0.0563","0.0581","","","","","","1.03","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207233","11.3958","0.0017","18.9334","0.0017","22.595","0.003","90","","96.522","0.003","90","","4843.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H38 Cd2 N8 Ni2 O15 -","- C52 H36 Cd2 N8 Ni2 O15 -","- C208 H144 Cd8 N32 Ni8 O60 -","4","0.5","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0613","0.0499","","","0.0968","0.1032","","","","","","1.11","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207234","9.3129","0.0004","13.062","0.0005","18.7085","0.0007","79.439","0.002","84.354","0.002","69.584","0.002","2095.25","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H46 Cl2 N4 Ni O8 P2 S4 -","- C31 H46 Cl2 N4 Ni O8 P2 S4 -","- C62 H92 Cl4 N8 Ni2 O16 P4 S8 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Influence of CH2Cl2 for the structure stabilization of the NiII complex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2","CrystEngComm","2012","14","2","370","","10.1039/c1ce06322g","","","0.71073","MoKα","","0.0522","0.0333","","","0.0825","0.0919","","","","","","1.015","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207235","14.384","0.005","14.384","0.005","15.215","0.005","90","0.005","90","0.005","120","0.005","2726.2","1.6","98","2","98","2","","","","","","","","7","P 63","P 6c","173","","","","- C34 H42 B4 Cu4 F16 N12 O6 -","- C34 H42 B4 Cu4 F16 N12 O6 -","- C68 H84 B8 Cu8 F32 N24 O12 -","2","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71069","MoKα","","0.0703","0.0685","","","0.1917","0.1941","","","","","","1.074","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207236","18.673","0.003","18.673","0.003","18.673","0.003","90","","90","","90","","6510.9","1.8","118","2","118","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C24 H18 Cu3 F9 N12 Si2 -","- C24 H18 Cu3 F9.04 N12 Si1.5 -","- C192 H144 Cu24 F72.32 N96 Si12 -","8","0.166667","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.0727","0.0726","","","0.1728","0.1729","","","","","","1.422","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207237","14.897","0.009","5.819","0.003","17.441","0.01","90","","107.581","0.006","90","","1441.3","1.4","117","2","117","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cu2 N6 O6 -","- C10 H10 Cu2 N6 O6 -","- C40 H40 Cu8 N24 O24 -","4","1","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71073","MoKα","","0.0434","0.0317","","","0.0686","0.0718","","","","","","1.099","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207238","20.8073","0.0009","13.2133","0.0018","15.3486","0.0011","90","","132.126","0.002","90","","3129.7","0.5","108","2","108","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl3 Cu3 N8 O12 -","- C20 H20 Cl3 Cu3 N8 O12 -","- C80 H80 Cl12 Cu12 N32 O48 -","4","0.5","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.087","0.057","","","0.132","0.1475","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207239","20.8286","0.0007","12.9965","0.0005","15.3593","0.0005","90","","132.566","0.001","90","","3062.17","0.19","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B3 Cu3 F12 N8 -","- C20 H20 B3 Cu3 F12 N8 -","- C80 H80 B12 Cu12 F48 N32 -","4","0.5","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.0418","0.0326","","","0.0719","0.0761","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207240","25.317","0.012","9.877","0.005","26.864","0.012","90","","104.382","0.016","90","","6507","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 Ag2 N8 O7 -","- C30 H33 Ag2 N8 O7 -","- C240 H264 Ag16 N64 O56 -","8","1","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0755","0.0671","","","0.164","0.1698","","","","","","1.102","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207241","18.193","0.008","11.273","0.005","8.606","0.004","90","","91.271","0.008","90","","1764.6","1.4","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 Ag2 N8 O6 -","- C36 H41 Ag2 N8 O6 -","- C72 H82 Ag4 N16 O12 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0595","0.0543","","","0.1233","0.1262","","","","","","1.155","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207242","11.8301","0.0005","5.5761","0.0002","22.7922","0.0009","90","","100.493","0.002","90","","1478.36","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8.9 Ca O6.45 S -","- C14 H8.9 Ca O6.45 S -","- C56 H35.6 Ca4 O25.8 S4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0488","0.0393","","","0.1261","0.1342","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207243","12.1722","0.0005","5.7277","0.0002","22.9034","0.0009","90","","98.857","0.002","90","","1577.75","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8.4 O6.2 S Sr -","- C14 H8.4 O6.2 S Sr -","- C56 H33.6 O24.8 S4 Sr4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0445","0.0316","","","0.0917","0.0976","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207244","11.7361","0.001","5.5499","0.0004","22.819","0.0018","90","","100.999","0.004","90","","1459","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S -","- C14 H8 Ca O6 S -","- C56 H32 Ca4 O24 S4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0596","0.0428","","","0.1072","0.117","","","","","","1.037","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207245","12.1704","0.0005","5.7317","0.0003","22.8977","0.0009","90","","98.851","0.002","90","","1578.26","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 O6 S Sr -","- C14 H8 O6 S Sr -","- C56 H32 O24 S4 Sr4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0566","0.0344","","","0.0952","0.1057","","","","","","1.057","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207246","3.86154","0.00009","22.1115","0.0007","27.1691","0.0007","67.429","0.003","88.114","0.002","87.127","0.002","2139.2","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 Br3 N3 -","- C39 H24 Br3 N3 -","- C78 H48 Br6 N6 -","2","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.1685","0.1229","","","0.3324","0.3607","","","","","","1.118","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207247","39.9115","0.0007","3.86753","0.00007","46.725","0.0007","90","","103.615","0.0015","90","","7009.8","0.2","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C44.77 H31.21 Br3 N3 -","- C44.768 H31.21 Br3 N3 -","- C358.144 H249.68 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0886","0.0805","","","0.2533","0.2623","","","","","","1.034","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207248","39.8459","0.0011","3.8434","0.0001","46.6728","0.0018","90","","104.398","0.001","90","","6923.2","0.4","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C43.8 H29.49 Br3 N3 -","- C43.802 H29.488 Br3 N3 -","- C350.416 H235.904 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0881","0.0581","","","0.1421","0.1567","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207249","7.8884","0.0016","9.6713","0.0019","25.38","0.005","82.76","0.03","89.58","0.02","68.29","0.03","1783","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N6 O17.5 -","- C38 H26 N6 O17.5 -","- C76 H52 N12 O35 -","2","1","","Fu, Zhiyong; Zhang, Jie; Zeng, Yu; Tan, Yi; Liao, Shijun; Chen, Hengjun; Dai, Jingcao","Synthesis and structure of a mixed crystal containing tris(4-pyridiniumyl)-1,3,5-triazine and benzenetetracarboxylate ions: constructing a new photochromic molecular system via self-assembly","CrystEngComm","2012","14","3","786","","10.1039/c2ce06048e","","","0.71073","MoKα","","0.0937","0.0517","","","0.1413","0.1834","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207250","7.8201","0.0014","9.6697","0.0018","25.351","0.005","82.651","0.003","89.211","0.003","68.329","0.003","1765.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N6 O17.5 -","- C38 H26 N6 O17.5 -","- C76 H52 N12 O35 -","2","1","","Fu, Zhiyong; Zhang, Jie; Zeng, Yu; Tan, Yi; Liao, Shijun; Chen, Hengjun; Dai, Jingcao","Synthesis and structure of a mixed crystal containing tris(4-pyridiniumyl)-1,3,5-triazine and benzenetetracarboxylate ions: constructing a new photochromic molecular system via self-assembly","CrystEngComm","2012","14","3","786","","10.1039/c2ce06048e","","","0.71073","MoKα","","0.0719","0.0524","","","0.1507","0.1663","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207251","15.262","0.003","13.046","0.003","13.058","0.003","90","","102.54","0.03","90","","2537.9","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cu N10 O5 -","- C22 H26 Cu N10 O5 -","- C88 H104 Cu4 N40 O20 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Huang, Yun-Chieh; Lu, Kuang-Lieh","Hydrogen bond-organized two-fold interpenetrating homochiral pcu net","CrystEngComm","2012","14","4","1189","","10.1039/c2ce06055h","","","0.71073","MoKα","","0.0739","0.0456","","","0.0931","0.112","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207252","29.5578","0.0014","10.5995","0.0006","7.5118","0.0004","90","","91.337","0.004","90","","2352.8","0.2","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H16 N6 O7 Pb -","- C14 H16 N6 O7 Pb -","- C56 H64 N24 O28 Pb4 -","4","1","","Hashemi, Lida; Morsali, Ali","Microwave assisted synthesis of a new lead(ii) porous three-dimensional coordination polymer: study of nanostructured size effect on high iodide adsorption affinity","CrystEngComm","2012","14","3","779","","10.1039/c2ce06133c","","","0.71073","MoKα","","0.0777","0.0455","","","0.094","0.1015","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207253","12.164","0.007","19.0805","0.0011","16.115","0.007","90","","125.95","0.03","90","","3028","2","225","2","225","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly-(E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxobutanato) (2-)- N,N',O$3,O!3')(bis(4-pyridylmethyl)sulfide)iron(ii)","poly-(E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxobutanato] (2-)-N,N',O^3,O^3'}(bis(4-pyridylmethyl)sulfide)iron(II)","","- C32 H34 Fe N4 O6 S -","- C32 H34 Fe N4 O6 S -","- C128 H136 Fe4 N16 O24 S4 -","4","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0571","0.0363","","","0.0903","0.1097","","","","","","1.064","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207254","18.8103","0.0009","16.0825","0.0007","25.3728","0.0013","90","","90","","90","","7675.7","0.6","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]LS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0625","0.0324","","","0.0723","0.0771","","","","","","0.879","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207255","19.2017","0.0005","16.2729","0.0008","25.7799","0.0015","90","","90","","90","","8055.4","0.6","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]HS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0815","0.0346","","","0.0741","0.0815","","","","","","0.823","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207256","15.3011","0.0012","20.084","0.002","25.52","0.0019","90","","90","","90","","7842.5","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu3 N6 O16 -","- C81 H68 Cu3 N6 O16 -","- C324 H272 Cu12 N24 O64 -","4","1","","Liu, Juan; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Homochiral assembly of polycatenated bilayers with mixing achiral ligands","CrystEngComm","2012","14","3","789","","10.1039/c2ce06297f","","","0.71073","MoKα","","0.1279","0.068","","","0.175","0.1955","","","","","","0.983","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207257","17.6497","0.0002","17.6497","0.0002","34.498","0.0005","90","","90","","120","","9306.8","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H66 Cu3 N6 O12 P3 S6 -","- C45 H66 Cu3 N6 O12 P3 S6 -","- C270 H396 Cu18 N36 O72 P18 S36 -","6","0.333333","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0473","0.032","","","0.0899","0.096","","","","","","1.058","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207258","27.4538","0.0009","27.4538","0.0009","10.7505","0.0004","90","","90","","90","","8102.8","0.5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C60 H88 Ag4 N8 O16 P4 S8 -","- C60 H88 Ag4 N8 O16 P4 S8 -","- C240 H352 Ag16 N32 O64 P16 S32 -","4","0.25","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0791","0.0551","","","0.1237","0.1374","","","","","","1.049","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207259","11.8107","0.0004","19.7508","0.0005","27.3802","0.001","90","","90.034","0.003","90","","6387","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Cu3 N6 O12 P3 S6 -","- C48 H72 Cu3 N6 O12 P3 S6 -","- C192 H288 Cu12 N24 O48 P12 S24 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0593","0.0505","","","0.1353","0.1406","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207260","21.14","0.004","14.841","0.003","25.156","0.005","90","","96.507","0.002","90","","7842","3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 F6 N6 O15 P2 Pd S2 -","- C76 H82 F6 N6 O15 P2 Pd S2 -","- C304 H328 F24 N24 O60 P8 Pd4 S8 -","4","1","","Guha, Samit; Goodson, Flynt S.; Clark, Ronald J.; Saha, Sourav","Deciphering anion‒π-acceptor interactions and detecting fluoride using a naphthalenediimide-based Pd(ii) coordination polymer","CrystEngComm","2012","14","4","1213","","10.1039/c2ce06363h","","","0.71073","MoKα","","0.1154","0.0987","","","0.2443","0.2541","","","","","","1.161","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207261","8.8709","0.0018","30.672","0.006","13.972","0.003","90","","117.065","0.01","90","","3385.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H14 Cl N9 O12 Pb4 -","- C30 H14 Cl N9 O12 Pb4 -","- C120 H56 Cl4 N36 O48 Pb16 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Pan, Mei; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","An unprecedented (3,4,14)-connected 3D metal‒organic framework based on planar octanuclear lead(ii) clusters as a secondary building unit","CrystEngComm","2012","14","4","1193","","10.1039/c2ce06378f","","","0.71073","MoKα","","0.0817","0.0469","","","0.0915","0.1039","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207262","10.6142","0.0002","5.8945","0.0001","11.1109","0.0002","90","","90.093","0.002","90","","695.16","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0371","0.033","","","0.0832","0.0843","","","","","","1.006","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207263","22.438","0.001","7.1267","0.0002","16.9373","0.0007","90","","117.532","0.006","90","","2401.7","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0828","0.0477","","","0.1073","0.1136","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207264","11.883","0.0002","14.6412","0.0003","15.4699","0.0003","90","","108.565","0.002","90","","2551.42","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.083","0.0464","","","0.1048","0.1111","","","","","","1.007","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207265","9.0829","0.0002","8.4907","0.0002","14.0688","0.0003","90","","96.172","0.002","90","","1078.7","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0842","0.0549","","","0.1472","0.1552","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207266","20.0779","0.0008","6.228","0.0003","7.2121","0.0003","90","","100.161","0.004","90","","887.69","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0976","0.0538","","","0.1122","0.1209","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207267","8.1408","0.0002","10.6093","0.0002","15.5627","0.0003","90","","95.408","0.002","90","","1338.14","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0595","0.0448","","","0.0932","0.0963","","","","","","1.005","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207268","6.5117","0.0001","10.3653","0.0002","21.8661","0.0004","90","","90","","90","","1475.87","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0931","0.0572","","","0.1037","0.1142","","","","","","1.006","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207269","5.8452","0.0003","9.3279","0.0003","12.1599","0.0006","109.289","0.004","99.692","0.004","93.069","0.004","612.59","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 Cl3 O3 -","- C13 H7 Cl3 O3 -","- C26 H14 Cl6 O6 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0373","0.0282","","","0.0729","0.0747","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207270","7.8319","0.0002","12.3938","0.0005","24.6888","0.0007","90","","90","","90","","2396.47","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.09","0.0716","","","0.1627","0.1722","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207271","7.5217","0.0002","15.7302","0.0004","9.087","0.0002","90","","90","","90","","1075.15","0.05","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0604","0.044","","","0.0913","0.0945","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207272","10.7746","0.0004","15.6168","0.0005","6.1107","0.0002","90","","98.201","0.003","90","","1017.7","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0994","0.0513","","","0.0924","0.0976","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207273","7.62","0.002","20.963","0.006","9.876","0.003","90","","90","","90","","1577.6","0.8","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 H9 Cd Cl N6 O -","- C6 H8 Cd Cl N6 O -","- C24 H32 Cd4 Cl4 N24 O4 -","4","0.25","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.7107","MoKα","","0.0563","0.0544","","","0.2019","0.2036","","","","","","1.091","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207274","18.912","0.0018","7.5956","0.0008","13.8924","0.0014","90","","90","","90","","1995.6","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H9 Cd2 Cl2 N12 O0.5 -","- C10 H8 Cd2 Cl2 N12 O0.5 -","- C40 H32 Cd8 Cl8 N48 O2 -","4","0.5","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.71075","MoKα","","0.0639","0.0545","","","0.1649","0.173","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207275","11.5383","0.0005","11.7825","0.0003","16.8252","0.0008","90","","96.236","0.002","90","","2273.85","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Fe N4 O4 -","- C50 H66 Fe N4 O4 -","- C100 H132 Fe2 N8 O8 -","2","0.5","","Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.","Into the second dimension with ferrocene bis-amidinium salts","CrystEngComm","2012","14","3","771","","10.1039/c2ce06398k","","x-ray","0.71073","MoKα","","0.0792","0.0478","","","0.0994","0.1137","","","","","","0.959","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207276","16.2731","0.0002","17.5849","0.0003","21.4064","0.0002","90","","90","","90","","6125.67","0.14","173","2","173","2","","","","","","","synthesis as described","5","P c a n","-P 2n 2c","60","","","","- C58 H97 Fe N5 O8 -","- C58 H97 Fe N5 O8 -","- C232 H388 Fe4 N20 O32 -","4","0.5","","Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.","Into the second dimension with ferrocene bis-amidinium salts","CrystEngComm","2012","14","3","771","","10.1039/c2ce06398k","","x-ray","0.7107","MoKα","","0.0899","0.0703","","","0.1582","0.1713","","","","","","1.035","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207277","12.5838","0.0004","19.5656","0.0005","25.605","0.0006","99.792","0.002","90.436","0.002","97.756","0.002","6152.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H220 Mn24 N24 O101.5 -","- C224 H218 Mn24 N24 O101.5 -","- C224 H218 Mn24 N24 O101.5 -","1","0.5","","Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.","Two-dimensional frameworks built from Single-Molecule Magnets","CrystEngComm","2012","14","4","1216","","10.1039/c2ce06536c","","","1.5418","CuKα","","0.1601","0.0674","","","0.1494","0.1759","","","","","","0.919","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207278","14.7534","0.0004","16.3686","0.0004","22.2983","0.0006","101.659","0.002","101.396","0.002","96.649","0.002","5101.3","0.2","100","","100","","","","","","","","TKI173A sample","5","P -1","-P 1","2","","","","- C83.7 H100.8 Mn9 N9 O42.2 -","- C79.7 H83.8 Mn9 N9 O37.2 -","- C159.4 H167.6 Mn18 N18 O74.4 -","2","1","","Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.","Two-dimensional frameworks built from Single-Molecule Magnets","CrystEngComm","2012","14","4","1216","","10.1039/c2ce06536c","","","1.5418","CuKα","","0.116","0.0744","","0.016","0.0128","0.0128","","","","","","0.8617","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207279","31.97","0.04","6.334","0.009","20.49","0.03","90","","120.078","0.013","90","","3590","9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 O5.5 Zn -","- C17 H9 O4 Zn -","- C136 H72 O32 Zn8 -","8","1","","Ibarra, Ilich A.; Bayliss, Peter A.; Pérez, Eduardo; Yang, Sihai; Blake, Alexander J.; Nowell, Harriott; Allan, David R.; Poliakoff, Martyn; Schröder, Martin","Near-critical water, a cleaner solvent for the synthesis of a metal‒organic framework","Green Chemistry","2012","14","1","117","","10.1039/c1gc15726d","","","0.6889","synchrotron","","0.194","0.137","","","0.348","0.409","","","","","","1.13","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207280","9.7477","0.0005","11.3212","0.0006","12.8467","0.0007","72.948","0.001","88.665","0.001","65.903","0.001","1229.69","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.5 H27 Cl2 N O P Rh -","- C26.5 H27 Cl2 N O P Rh -","- C53 H54 Cl4 N2 O2 P2 Rh2 -","2","1","","Makhubela, Banothile C. E.; Jardine, Anwar; Smith, Gregory S.","Rh(i) complexes supported on a biopolymer as recyclable and selective hydroformylation catalysts","Green Chemistry","2012","14","2","338","","10.1039/c1gc15979h","","","0.71073","MoKα","","0.0288","0.0243","","","0.059","0.0612","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207281","13.9868","0.0009","14.1476","0.0007","15.63","0.001","64.206","0.006","69.087","0.006","84.192","0.005","2595.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H65 B2 N O -","- C58 H65 B2 N O -","- C116 H130 B4 N2 O2 -","2","1","","Lin, Ming-Shiang; Chi, Liang-Chen; Chang, Hong-Wei; Huang, Yi-Hsiang; Tien, Kun-Cheng; Chen, Chung-Chia; Chang, Chih-Hao; Wu, Chung-Chih; Chaskar, Atul; Chou, Shu-Hua; Ting, Hao-Chun; Wong, Ken-Tsung; Liu, Yi-Hong; Chi, Yun","A diarylborane-substituted carbazole as a universal bipolar host material for highly efficient electrophosphorescence devices","Journal of Materials Chemistry","2012","22","3","870","","10.1039/c1jm13323c","","","1.54178","CuKα","","0.0955","0.07","","","0.1948","0.2404","","","","","","1.053","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207282","10.828","0.002","20.059","0.006","14.318","0.004","90","","90","","90","","3109.9","1.4","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cl5 N4 Sb -","- C6 H10 Cl5 N4 Sb -","- C48 H80 Cl40 N32 Sb8 -","8","1","","Piecha, Anna; Białońska, Agata; Jakubas, Ryszard","Novel organic‒inorganic hybrid ferroelectric: bis(imidazolium) pentachloroantimonate(iii), (C3N2H5)2SbCl5","Journal of Materials Chemistry","2012","22","2","333","","10.1039/c1jm13597j","","","0.71073","MoKα","","0.0392","0.0288","","","0.0666","0.0722","","","","","","1.114","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207283","14.211","0.002","19.93","0.003","10.786","0.002","90","","90","","90","","3054.9","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H10 Cl5 N4 Sb -","- C6 H10 Cl5 N4 Sb -","- C48 H80 Cl40 N32 Sb8 -","8","2","","Piecha, Anna; Białońska, Agata; Jakubas, Ryszard","Novel organic‒inorganic hybrid ferroelectric: bis(imidazolium) pentachloroantimonate(iii), (C3N2H5)2SbCl5","Journal of Materials Chemistry","2012","22","2","333","","10.1039/c1jm13597j","","","0.71073","MoKα","","0.0226","0.0194","","","0.0455","0.0469","","","","","","1.065","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207284","9.91022","0.00013","9.91022","0.00013","7.32094","0.00014","90","","90","","120","","622.679","0.017","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ge6 La7.93 O26 Sr2 -","- Ge6 La7.9312 O26 Sr2 -","- Ge6 La7.9312 O26 Sr2 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.424","","","","","","","has coordinates","288312","2023-12-14","15:05:57",""
"7207285","9.90847","0.00018","9.90847","0.00018","7.32192","0.00016","90","","90","","120","","622.54","0.02","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ge5.84 La7.93 O26 Sr2 V0.16 -","- Ge5.8446 La7.9308 O26 Sr2 V0.1554 -","- Ge5.8446 La7.9308 O26 Sr2 V0.1554 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.388","","","","","","","has coordinates","288312","2023-12-14","15:06:16",""
"7207286","9.90941","0.00013","9.90941","0.00013","7.32414","0.00015","90","","90","","120","","622.849","0.017","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ge5.58 La7.99 O26 Sr2 V0.42 -","- Ge5.5848 La7.9884 O26 Sr2.0004 V0.4152 -","- Ge5.5848 La7.9884 O26 Sr2.0004 V0.4152 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.44","","","","","","","has coordinates","288312","2023-12-14","15:06:29",""
"7207287","9.87089","0.00015","9.87089","0.00015","7.22428","0.00017","90","","90","","120","","609.59","0.019","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ca2 Ge6 La7.8 O26 -","- Ca1.998 Ge6 La7.794 O26 -","- Ca1.998 Ge6 La7.794 O26 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.526","","","","","","","has coordinates","288312","2023-12-14","15:06:35",""
"7207288","9.86956","0.00014","9.86956","0.00014","7.22553","0.00016","90","","90","","120","","609.531","0.018","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ca2 Ge5.62 La7.82 O26 V0.38 -","- Ca1.998 Ge5.6214 La7.83 O26 V0.3786 -","- Ca1.998 Ge5.6214 La7.83 O26 V0.3786 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.489","","","","","","","has coordinates","288312","2023-12-14","15:06:43",""
"7207289","9.87087","0.00016","9.87087","0.00016","7.22604","0.00019","90","","90","","120","","609.74","0.02","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ca2 Ge5.35 La7.88 O26 V0.65 -","- Ca1.998 Ge5.3454 La7.874 O26 V0.6546 -","- Ca1.998 Ge5.3454 La7.874 O26 V0.6546 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.416","","","","","","","has coordinates","288312","2023-12-14","15:07:52",""
"7207290","9.97963","0.00016","9.97963","0.00016","7.41046","0.00017","90","","90","","120","","639.15","0.02","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ba2 Ge6 La7.88 O26 -","- Ba2.004 Ge6 La7.876 O26 -","- Ba2.004 Ge6 La7.876 O26 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.478","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207291","9.97623","0.00015","9.97623","0.00015","7.41273","0.00016","90","","90","","120","","638.913","0.019","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ba2 Ge5.66 La7.88 O26 V0.34 -","- Ba2.004 Ge5.6628 La7.884 O26 V0.3372 -","- Ba2.004 Ge5.6628 La7.884 O26 V0.3372 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.444","","","","","","","has coordinates","190010","2020-10-21","18:00:00",""
"7207292","9.97861","0.00017","9.97861","0.00017","7.41128","0.00018","90","","90","","120","","639.09","0.02","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ba2 Ge5.29 La7.67 O26 V0.71 -","- Ba1.996 Ge5.292 La7.668 O26 V0.708 -","- Ba1.996 Ge5.292 La7.668 O26 V0.708 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.518","","","","","","","has coordinates","190010","2020-10-21","18:00:00",""
"7207293","9.589","0.003","13.452","0.004","14.158","0.004","106.847","0.003","91.096","0.005","100.771","0.004","1711.9","0.9","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N4 O4 -","- C44 H34 N4 O4 -","- C88 H68 N8 O8 -","2","1","","Tabata, Hideyuki; Tokoyama, Hiroaki; Yamakado, Hideo; Okuno, Tsunehisa","Preparation and properties of two-legged ladder polymers based on polydiacetylenes","Journal of Materials Chemistry","2012","22","1","115","","10.1039/c1jm13896k","","","0.71075","MoKα","","","0.0613","","","","0.1771","","","","","","1.004","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207294","12.339","0.003","4.748","0.0009","16.949","0.003","90","","110.06","0.03","90","","932.7","0.4","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z, Z)-cyclo[2](dibenzo[b,d]thiophen-2, 8-yl-ethylene)","","- C28 H16 S2 -","- C28 H16 S2 -","- C56 H32 S4 -","2","0.5","","Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben","Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures","Journal of Materials Chemistry","2012","22","4","1313","","10.1039/c1jm13962b","","","0.71073","MoKα","","0.0352","0.0326","","","0.0882","0.0905","","","","","","1.037","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207295","18.924","0.004","6.2925","0.0013","7.9164","0.0016","90","","99.48","0.03","90","","929.8","0.3","173","2","173","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","(Z)-1, 2-bis(dibenzo[b,d]thiophen-2-yl)ethene","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben","Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures","Journal of Materials Chemistry","2012","22","4","1313","","10.1039/c1jm13962b","","","0.71073","MoKα","","0.0879","0.0706","","","0.1345","0.1423","","","","","","1.159","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207296","6.792","0.0015","10.677","0.002","12.729","0.003","90","","97.719","0.004","90","","914.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1, 2-bis(dibenzo[b,d]thiophen-2-yl)ethene","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben","Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures","Journal of Materials Chemistry","2012","22","4","1313","","10.1039/c1jm13962b","","","0.71073","MoKα","","0.066","0.0617","","","0.1154","0.1176","","","","","","1.234","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207297","7.129","0.003","13.514","0.005","6.915","0.003","90","","91.715","0.005","90","","665.9","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-nitro-5-methoxy-1,2,4-oxadiazole","","- C4 H7 N5 O2 -","- C4 H7 N5 O2 -","- C16 H28 N20 O8 -","4","1","","Fu, Zhanda; He, Cheng; Chen, Fu-xue","Synthesis and characteristics of a novel, high-nitrogen, heat-resistant, insensitive material (NOG2Tz)","Journal of Materials Chemistry","2012","22","1","60","","10.1039/c1jm14232a","","","0.71073","MoKα","","0.0784","0.0492","","","0.1355","0.147","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207298","5.75","0.002","8.875","0.003","15.739","0.006","80.614","0.011","80.732","0.01","81.456","0.01","775.9","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","3,6-di(3-nitro-1,2,4-oxadiazole)-di(3-nitro-1,2,4-oxadiazole)-1,2,4,5-tetrazine","","- C16 H30 N16 O10 S4 -","- C16 H30 N16 O10 S4 -","- C16 H30 N16 O10 S4 -","1","0.5","","Fu, Zhanda; He, Cheng; Chen, Fu-xue","Synthesis and characteristics of a novel, high-nitrogen, heat-resistant, insensitive material (NOG2Tz)","Journal of Materials Chemistry","2012","22","1","60","","10.1039/c1jm14232a","","","0.71073","MoKα","","0.0858","0.0511","","","0.1117","0.1271","","","","","","1.002","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7207299","7.736","0.007","9.684","0.009","12.512","0.011","100.163","0.015","98.071","0.011","100.744","0.009","891.8","1.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N9 O2 -","- C4 H7 N9 O2 -","- C16 H28 N36 O8 -","4","2","","Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping","Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole","Journal of Materials Chemistry","2012","22","2","666","","10.1039/c1jm14322k","","","0.71073","MoKα","","0.0765","0.0472","","","0.0995","0.1054","","","","","","0.999","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207300","5.681","0.0016","7.222","0.002","19.096","0.006","90","","97.778","0.004","90","","776.3","0.4","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N18 -","- C8 H14 N18 -","- C16 H28 N36 -","2","0.5","","Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping","Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole","Journal of Materials Chemistry","2012","22","2","666","","10.1039/c1jm14322k","","","0.71073","MoKα","","0.045","0.0353","","","0.0884","0.0935","","","","","","1.002","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207301","15.592","0.004","10.246","0.002","9.813","0.002","90","","90.405","0.004","90","","1567.6","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N9 O2 -","- C3 H5 N9 O2 -","- C24 H40 N72 O16 -","8","2","","Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping","Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole","Journal of Materials Chemistry","2012","22","2","666","","10.1039/c1jm14322k","","","0.71073","MoKα","","0.0636","0.0533","","","0.1291","0.1374","","","","","","0.998","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7207302","15.4598","0.0016","10.805","0.0011","9.9452","0.0011","90","","90","","90","","1661.3","0.3","296","2","296","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- B2 O7 Pb4 -","- B2 O7 Pb4 -","- B16 O56 Pb32 -","8","","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Zhao, Wenwu; Zhang, Fangfang; Li, Hongyi; Yang, Zhihua","A new congruent-melting oxyborate, Pb4O(BO3)2 with optimally aligned BO3 triangles adopting layered-type arrangement","Journal of Materials Chemistry","2012","22","5","2105","","10.1039/c1jm14590h","","","0.71073","MoKα","","0.0329","0.0301","","","0.0695","0.0712","","","","","","1.064","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207303","10.773","0.004","10.773","0.004","13.947","0.005","90","","90","","90","","1618.7","1","108","2","108","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C19 H20 N O8 Zn -","- C13 N O4 Zn -","- C26 N2 O8 Zn2 -","2","0.125","","Henke, Sebastian; Schneemann, Andreas; Kapoor, Shobhna; Winter, Roland; Fischer, Roland A.","Zinc-1,4-benzenedicarboxylate-bipyridine frameworks ‒ linker functionalization impacts network topology during solvothermal synthesis","Journal of Materials Chemistry","2012","22","3","909","","10.1039/c1jm14791a","","","0.71073","MoKα","","0.0873","0.0348","","","0.052","0.0663","","","","","","0.658","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207304","11.78","0.02","18.24","0.03","8.28","0.007","90","","123.97","0.1","90","","1475","4","106.7","","106.7","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H12 N O6 Zn -","- C15 H12 N O6 Zn -","- C60 H48 N4 O24 Zn4 -","4","0.5","","Henke, Sebastian; Schneemann, Andreas; Kapoor, Shobhna; Winter, Roland; Fischer, Roland A.","Zinc-1,4-benzenedicarboxylate-bipyridine frameworks ‒ linker functionalization impacts network topology during solvothermal synthesis","Journal of Materials Chemistry","2012","22","3","909","","10.1039/c1jm14791a","","","0.71073","MoKα","","0.1803","0.0906","","","0.1535","0.1903","","","","","","1.029","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207305","6.737","0.002","8.541","0.003","8.965","0.003","79.742","0.007","68.025","0.007","67.714","0.007","442.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C24 H16 N2 -","1","0.5","","Xu, Yuanxiang; Zhang, Houyu; Li, Feng; Shen, Fangzhong; Wang, Huan; Li, Xianjie; Yu, Yang; Ma, Yuguang","Supramolecular interaction-induced self-assembly of organic molecules into ultra-long tubular crystals with wave guiding and amplified spontaneous emission","Journal of Materials Chemistry","2012","22","4","1592","","10.1039/c1jm14815j","","","0.71073","MoKα","","0.1464","0.0563","","","0.1176","0.1574","","","","","","0.946","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207306","8.2215","0.0005","18.0008","0.0011","17.3401","0.0011","90","","100.406","0.001","90","","2524","0.3","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 -","- C36 H24 N2 -","- C144 H96 N8 -","4","1","","Gong, Shaolong; He, Xun; Chen, Yonghua; Jiang, Zuoquan; Zhong, Cheng; Ma, Dongge; Qin, Jingui; Yang, Chuluo","Simple CBP isomers with high triplet energies for highly efficient blue electrophosphorescence","Journal of Materials Chemistry","2012","22","7","2894","","10.1039/c1jm14903b","","","0.71073","MoKα","","0.0941","0.0536","","","0.1088","0.122","","","","","","0.939","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207307","8.942","0.0018","13.149","0.003","14.67","0.003","68.23","0.03","84.59","0.03","75.23","0.03","1548.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N4 O4 -","- C35 H35 N4 O4 -","- C70 H70 N8 O8 -","2","1","","Liu, Yunlong; Lv, Xin; Zhao, Yun; Liu, Jing; Sun, Yuan-Qiang; Wang, Pi; Guo, Wei","A Cu(ii)-based chemosensing ensemble bearing rhodamine B fluorophore for fluorescence turn-on detection of cyanide","Journal of Materials Chemistry","2012","22","5","1747","","10.1039/c1jm15072c","","","0.71073","MoKα","","0.1226","0.0666","","","0.1276","0.1534","","","","","","1.024","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207308","12.2737","0.0019","24.368","0.004","12.778","0.0019","90","","99.816","0.002","90","","3765.8","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H80 Cl4 Cu4 N12 O8 -","- C78 H80 Cl4 Cu4 N12 O8 -","- C156 H160 Cl8 Cu8 N24 O16 -","2","0.5","","Liu, Yunlong; Lv, Xin; Zhao, Yun; Liu, Jing; Sun, Yuan-Qiang; Wang, Pi; Guo, Wei","A Cu(ii)-based chemosensing ensemble bearing rhodamine B fluorophore for fluorescence turn-on detection of cyanide","Journal of Materials Chemistry","2012","22","5","1747","","10.1039/c1jm15072c","","","0.71073","MoKα","","0.081","0.0583","","","0.148","0.1613","","","","","","1.296","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207309","7.6535","0.0003","18.7315","0.0008","8.4452","0.0004","90","","99.254","0.002","90","","1194.96","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","acetonitrile silver bistriflimide","acetonitrile silver bis(trifluoromethyl)sulfonylimide","","- C4 H3 Ag F6 N2 O4 S2 -","- C4 H3 Ag F6 N2 O4 S2 -","- C16 H12 Ag4 F24 N8 O16 S8 -","4","1","","Schaltin, Stijn; Brooks, Neil R.; Stappers, Linda; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","High current density electrodeposition from silver complex ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","5","1706","1715","10.1039/c2cp22987k","","","1.54178","CuKα","","0.0415","0.0387","","","0.0955","0.0974","","","","","","1.105","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207310","14.9257","0.0003","8.6793","0.0002","16.5837","0.0003","90","","108.698","0.001","90","","2034.94","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","bis(1-ethylimidazome)silver bistrifimide","bis(1-ethylimidazome)silver bis(trifluoromethyl)sulfonylimide","","- C12 H16 Ag F6 N5 O4 S2 -","- C12 H16 Ag F6 N5 O4 S2 -","- C48 H64 Ag4 F24 N20 O16 S8 -","4","1","","Schaltin, Stijn; Brooks, Neil R.; Stappers, Linda; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","High current density electrodeposition from silver complex ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","5","1706","1715","10.1039/c2cp22987k","","","1.54178","CuKα","","0.0341","0.0297","","","0.0708","0.0731","","","","","","1.054","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207311","13.773","0.004","6.7999","0.0018","15.291","0.004","90","","96.715","0.003","90","","1422.3","0.7","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","7-(Methylsulfinyl)-14-phenylbenzo(5,6)tetraceno(1,12,11,10- jklmna)acridin-14-ium hexafluorophosphate(V), acetonitrile solvate","7-(Methylsulfinyl)-14-phenylbenzo[5,6]tetraceno[1,12,11,10-jklmna]acridin-14-ium hexafluorophosphate(V), acetonitrile solvate","","- C36 H23 F6 N2 O P S -","- C36 H23 F6 N2 O P S -","- C72 H46 F12 N4 O2 P2 S2 -","2","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.","Photoinduced charge shift and charge recombination through an alkynyl spacer for an expanded acridinium-based dyad.","Physical chemistry chemical physics : PCCP","2012","14","9","3194","3199","10.1039/c2cp23273a","","","0.6709","synchrotron","","0.0909","0.0755","","","0.2157","0.2342","","","","","","1.051","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207312","14.1772","0.0019","14.2156","0.0018","13.9291","0.0019","90","","97.092","0.003","90","","2785.8","0.6","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N6 O2 -","- C34 H24 N6 O2 -","- C136 H96 N24 O8 -","4","1","","Zhang, Ming-Dao; Pan, Hao; Ju, Xue-Hai; Ji, Ya-Jun; Qin, Ling; Zheng, He-Gen; Zhou, Xing-Fu","Improvement of dye-sensitized solar cells' performance through introducing suitable heterocyclic groups to triarylamine dyes.","Physical chemistry chemical physics : PCCP","2012","14","8","2809","2815","10.1039/c2cp23876d","","","0.71073","MoKα","","0.1213","0.0574","","","0.1221","0.137","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207313","19.033","0.005","14.272","0.004","26.672","0.007","90","","94.787","0.004","90","","7220","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cl2 F6 Ir N4 O2 P -","- C37 H26 Cl2 F6 Ir N4 O2 P -","- C296 H208 Cl16 F48 Ir8 N32 O16 P8 -","8","1","","Cao, Xinhua; Wu, Yongquan; Liu, Keyin; Yu, Xudong; Wu, Bo; Wu, Huazhou; Gong, Zuguang; Yi, Tao","Iridium complex triggered white-light-emitting gel and its response to cysteine","Journal of Materials Chemistry","2012","22","6","2650","","10.1039/c2jm13826c","","","0.71073","MoKα","","0.0628","0.0447","","","0.1255","0.1353","","","","","","1.076","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207314","15.07392","","15.07392","","15.07392","","90","","90","","90","","3425.14","","293","","293","","","","","","","","","4","P a -3","-P 2ac 2ab","205","","","","- Ca3 N2 O4 Si2 -","- Ca3 N2 O4 Si2 -","- Ca72 N48 O96 Si48 -","24","1","","Wang, Xiao-Ming; Wang, Chun-Hai; Wu, M. M.; Wang, Y. X.; Jing, Xi-Ping","O/N ordering in the structure of Ca3Si2O4N2 and the luminescence properties of the Ce3+ doped material","Journal of Materials Chemistry","2012","22","8","3388","","10.1039/c2jm13852b","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207315","10.4133","0.0006","10.899","0.0005","13.074","0.0006","77.607","0.004","77.442","0.004","86.648","0.004","1414.47","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 La2 N3 O17 -","- C21 H17 La2 N3 O17 -","- C42 H34 La4 N6 O34 -","2","1","","Rao, Xingtang; Huang, Qian; Yang, Xiuli; Cui, Yuanjing; Yang, Yu; Wu, Chuande; Chen, Banglin; Qian, Guodong","Color tunable and white light emitting Tb3+ and Eu3+ doped lanthanide metal‒organic framework materials","Journal of Materials Chemistry","2012","22","7","3210","","10.1039/c2jm14127b","","","0.71073","MoKα","","0.0764","0.0454","","","0.0975","0.1149","","","","","","1.124","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207316","9.808","0.002","11.209","0.002","12.043","0.002","79.92","0.03","87.34","0.03","65.46","0.03","1185.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Cl3 N2 O4 Re -","- C23 H16 Cl3 N2 O4 Re -","- C46 H32 Cl6 N4 O8 Re2 -","2","1","","Liu, Xiaoming; Xia, Hong; Gao, Wei; Wu, Qiaolin; Fan, Xiao; Mu, Ying; Ma, Chunsheng","New rhenium(i) complexes with substituted diimine ligands for highly efficient phosphorescent devices fabricated by a solution process","Journal of Materials Chemistry","2012","22","8","3485","","10.1039/c2jm14222h","","","0.71073","MoKα","","0.036","0.0344","","","0.0927","0.0934","","","","","","1.088","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207317","21.756","0.004","11.09","0.002","11.085","0.002","90","","119.155","0.002","90","","2335.7","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H52 Mn2 N8 O12 -","- C44 H52 Mn2 N8 O12 -","- C88 H104 Mn4 N16 O24 -","2","0.5","","Yang, Peng; He, Xiang; Li, Ming-Xing; Ye, Qiong; Ge, Jia-Zhen; Wang, Zhao-Xi; Zhu, Shou-Rong; Shao, Min; Cai, Hong-Ling","The first homochiral coordination polymer with temperature-independent piezoelectric and dielectric properties","Journal of Materials Chemistry","2012","22","6","2398","","10.1039/c2jm14961c","","","0.71073","MoKα","","0.0264","0.0246","","","0.0621","0.0632","","","","","","1.045","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207318","7.521","0.012","17.21","0.03","19.15","0.03","90","","95.26","0.02","90","","2468","7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H64 Co2 N12 O16 -","- C44 H58 Co2 N12 O16 -","- C88 H116 Co4 N24 O32 -","2","1","","Yang, Peng; He, Xiang; Li, Ming-Xing; Ye, Qiong; Ge, Jia-Zhen; Wang, Zhao-Xi; Zhu, Shou-Rong; Shao, Min; Cai, Hong-Ling","The first homochiral coordination polymer with temperature-independent piezoelectric and dielectric properties","Journal of Materials Chemistry","2012","22","6","2398","","10.1039/c2jm14961c","","","0.71073","MoKα","","0.1661","0.0738","","","0.1243","0.1502","","","","","","1.035","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207319","9.0582","0.0001","9.0582","0.0001","12.566","0.0002","90","","90","","90","","1031.05","0.02","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","","0.71073","MoKα","","0.0342","0.033","","","0.0973","0.098","","","","","","1.16","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207320","8.9664","0.0003","8.9664","0.0003","12.3548","0.0003","90","","90","","90","","993.28","0.05","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.0714","0.0569","","","0.1386","0.1498","","","","","","1.099","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207321","8.8645","0.0003","8.8645","0.0003","12.1191","0.0003","90","","90","","90","","952.31","0.05","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.0893","0.0742","","","0.1945","0.2061","","","","","","1.385","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207322","8.8048","0.0002","8.8048","0.0002","12.031","0.0002","90","","90","","90","","932.7","0.03","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.1045","0.0884","","","0.2416","0.2658","","","","","","1.145","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207323","12.363","0.013","5.876","0.005","15.136","0.016","90","","90.31","0.08","90","","1099.5","1.9","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2,2-dinitroethyl)nitramine","","","- C4 H6 N6 O10 -","- C4 H6 N6 O10 -","- C16 H24 N24 O40 -","4","0.5","","Song, Jinhong; Zhou, Zhiming; Dong, Xiao; Huang, Haifeng; Cao, Dan; Liang, Lixuan; Wang, Kai; Zhang, Jun; Chen, Fu-xue; Wu, Yukai","Super-high-energy materials based on bis(2,2-dinitroethyl)nitramine","Journal of Materials Chemistry","2012","22","7","3201","","10.1039/c2jm15310f","","","0.71073","MoKα","","0.0622","0.0507","","","0.0967","0.0995","","","","","","1.08","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207324","19.39","0.004","11.906","0.003","12.766","0.003","90","","90","","90","","2947.1","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H29 Br Co N6 O5 -","- C29 H29 Br Co N6 O5 -","- C116 H116 Br4 Co4 N24 O20 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0663","0.0512","","","0.1233","0.13","","","","","","1.009","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207325","13.3734","0.0013","16.6806","0.0016","16.815","0.0015","111.657","0.001","97.436","0.001","102.73","0.001","3307.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58.46 Br3 Co3 N12 O12.73 -","- C66 H58.456 Br3 Co3 N12 O12.728 -","- C132 H116.912 Br6 Co6 N24 O25.456 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0738","0.0476","","","0.119","0.1309","","","","","","1.066","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207326","24.2834","0.0009","20.5803","0.0009","12.6997","0.0004","90","","90","","90","","6346.8","0.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C28 H26 N4 Ni O8 S -","- C28 H22 N4 Ni O6 S -","- C224 H176 N32 Ni8 O48 S8 -","8","","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.1261","0.0534","","","0.0886","0.1004","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207327","10.1202","0.0016","10.883","0.0017","13.409","0.002","70.501","0.002","87.561","0.003","76.947","0.003","1355.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27.76 N4 Ni O7.38 S -","- C28 H24 N4 Ni O7.383 S -","- C56 H48 N8 Ni2 O14.766 S2 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0444","0.0375","","","0.0877","0.0902","","","","","","1.04","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207328","10.081","0.002","22.229","0.004","9.462","0.0019","90","","114.5","0.03","90","","1929.4","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H14 Ag Ho N4 O11 -","- C18 H14 Ag Ho N4 O11 -","- C72 H56 Ag4 Ho4 N16 O44 -","4","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71073","MoKα","","0.0217","0.0213","","","0.0525","0.0527","","","","","","0.973","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207329","7.732","0.003","12.238","0.005","12.394","0.004","81.707","0.013","71.83","0.02","89.722","0.009","1101.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H9 Ag Eu N4 O13 -","- C18 H9 Ag Eu N4 O13 -","- C36 H18 Ag2 Eu2 N8 O26 -","2","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71075","MoKα","","0.1257","0.0814","","","0.1647","0.1956","","","","","","1.079","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207330","12.204","0.001","8.196","0.001","18.415","0.002","90","","105.23","0.01","90","","1777.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag2 N8 O7 -","- C12 H14 Ag2 N8 O7 -","- C48 H56 Ag8 N32 O28 -","4","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0529","0.0361","","","0.0837","0.0901","","","","","","1.044","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207331","12.2275","0.0007","21.7867","0.0013","7.0262","0.0004","90","","90","","90","","1871.76","0.19","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C14 H12 Ag2 N8 S2 -","- C14 H12 Ag2 N8 S2 -","- C56 H48 Ag8 N32 S8 -","4","","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0537","0.0551","","","","","","1.06","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207332","5.8963","0.0004","7.1928","0.0004","10.9481","0.0007","73.61","0.001","86.576","0.001","87.068","0.001","444.37","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","1","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0189","0.0185","","","0.0493","0.0496","","","","","","1.056","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207333","4.1197","0.0002","8.0163","0.0004","12.4386","0.0008","91.739","0.003","94.104","0.003","94.716","0.003","408.07","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","1","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0165","0.0161","","","0.0416","0.0419","","","","","","1.103","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207334","9.3233","0.001","10.1051","0.0011","23.432","0.002","78.751","0.001","79.329","0.001","76.21","0.001","2080.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H43 N6 O9 Zn2 -","- C44 H43 N6 O9 Zn2 -","- C88 H86 N12 O18 Zn4 -","2","1","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0428","0.0329","","","0.0807","0.0859","","","","","","1.02","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207335","9.0907","0.0009","11.4058","0.0011","12.0885","0.0012","79.066","0.001","84.264","0.001","77.018","0.001","1197.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 N6 O16 Zn3 -","- C48 H42 N6 O16 Zn3 -","- C48 H42 N6 O16 Zn3 -","1","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0285","0.0254","","","0.0692","0.0704","","","","","","1.071","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207336","9.876","0.001","11.3027","0.0011","12.0107","0.0012","77.3","0.001","81.594","0.001","66.021","0.001","1192.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 N6 O16 Zn3 -","- C48 H40 N6 O16 Zn3 -","- C48 H40 N6 O16 Zn3 -","1","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0296","0.0264","","","0.0732","0.0746","","","","","","1.068","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207337","7.6366","0.0007","15.5557","0.0014","15.0141","0.0014","90","","90.395","0.001","90","","1783.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N2 O -","- C23 H21 N2 O -","- C92 H84 N8 O4 -","4","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1182","0.0989","","","0.2711","0.2891","","","","","","1.054","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207338","14.428","0.002","7.4072","0.0012","33.289","0.005","90","","91.483","0.002","90","","3556.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O2 -","- C23 H21 N2 O2 -","- C184 H168 N16 O16 -","8","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1664","0.0723","","","0.1172","0.1407","","","","","","0.961","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207339","9.9817","0.0002","7.3687","0.0001","25.0583","0.0005","90","","94.737","0.001","90","","1836.8","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O2 -","- C23 H21 N2 O2 -","- C92 H84 N8 O8 -","4","1","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.0451","0.0386","","","0.1035","0.1101","","","","","","1.051","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207340","15.354","0.0003","7.5164","0.0002","18.7218","0.0004","90","","97.967","0.0013","90","","2139.77","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 F6 N4 O4 -","- C52 H42 F6 N4 O4 -","- C104 H84 F12 N8 O8 -","2","0.5","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.0632","0.0508","","","0.129","0.1371","","","","","","1.022","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207341","10.322","0.005","7.181","0.003","24.037","0.011","90","","98.018","0.006","90","","1764.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O -","- C23 H21 N2 O1.097 -","- C92 H84 N8 O4.388 -","4","1","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.064","0.0453","","","0.1054","0.1155","","","","","","1.031","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207342","17.376","0.0014","17.376","0.0014","10.304","0.0017","90","","90","","90","","3111","0.6","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H3 Cl2 O Tl -","- C6 H3 Cl2 O Tl -","- C96 H48 Cl32 O16 Tl16 -","16","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0361","0.0291","","","0.0615","0.0636","","","","","","1.113","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207343","30.758","0.015","3.8153","0.0018","16.345","0.007","90","","122.1","0.001","90","","1624.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cl3 O Tl -","- C6 H2 Cl3 O Tl -","- C48 H16 Cl24 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0177","0.0172","","","0.0474","0.0479","","","","","","1","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207344","10.3447","0.0012","19.514","0.002","6.392","0.0007","90","","90","","90","","1290.3","0.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 F O Tl -","- C6 H4 F O Tl -","- C48 H32 F8 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0339","0.0282","","","0.0713","0.074","","","","","","1.094","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207345","19.8127","0.0014","7.6404","0.0005","14.2901","0.0017","90","","132.817","0.003","90","","1586.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H12 Cl8 O4 Tl4 -","- C24 H12 Cl8 O4 Tl4 -","- C48 H24 Cl16 O8 Tl8 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0894","0.0831","","","0.2073","0.2133","","","","","","1.086","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7207346","3.8883","0.0004","19.8849","0.0019","9.7499","0.0008","90","","94.92","0.005","90","","751.07","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Cl2 O Tl -","- C6 H3 Cl2 O Tl -","- C24 H12 Cl8 O4 Tl4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0168","0.015","","","0.0347","0.0353","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207347","14.1678","0.0007","14.1678","0.0007","7.0565","0.0007","90","","90","","90","","1416.43","0.17","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H16 Cl4 O4 Tl4 -","- C24 H16 Cl4 O4 Tl4 -","- C48 H32 Cl8 O8 Tl8 -","2","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0322","0.0314","","","0.0724","0.0727","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207348","10.0853","0.0005","15.7875","0.0008","10.31","0.0005","90","","104.334","0.002","90","","1590.47","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 I4 O4 Tl4 -","- C24 H16 I4 O4 Tl4 -","- C48 H32 I8 O8 Tl8 -","2","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0297","0.0269","","","0.0573","0.0582","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207349","17.4773","0.0007","17.4773","0.0007","10.2912","0.0002","90","","90","","90","","3143.51","0.19","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H12 Br4 Cl4 O4 Tl4 -","- C24 H12 Br4 Cl4 O4 Tl4 -","- C96 H48 Br16 Cl16 O16 Tl16 -","4","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0542","0.0326","","","0.0778","0.1142","","","","","","1.108","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207350","15.1961","0.0004","15.0703","0.0004","26.0915","0.0007","90","","90","","90","","5975.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Cl4 F4 O4 Tl4 -","- C24 H12 Cl4 F4 O4 Tl4 -","- C192 H96 Cl32 F32 O32 Tl32 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0478","0.0281","","","0.0616","0.0722","","","","","","0.996","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207351","18.164","0.002","14.237","0.002","8.9017","0.0013","90","","109.17","0.007","90","","2174.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C28 H34 Ag2 B2 F8 N8 O5 S6 -","- C28 H24 Ag2 B2 F8 N8 O4.998 S6 -","- C56 H48 Ag4 B4 F16 N16 O9.996 S12 -","2","0.25","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.0665","0.0548","","","0.1396","0.1487","","","","","","1.095","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207352","29.96","0.03","5.629","0.004","20.905","0.017","90","","104.337","0.014","90","","3416","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N5 O2 S3 -","- C14 H12 Ag N5 O2 S3 -","- C112 H96 Ag8 N40 O16 S24 -","8","1","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.0813","0.0472","","","0.0955","0.1086","","","","","","1.046","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207353","26.283","0.006","26.418","0.006","10.625","0.002","90","","90","","90","","7377","3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C56 H48 Ag4 N20 O12 S12 -","- C56 H48 Ag4 N20 O12 S12 -","- C224 H192 Ag16 N80 O48 S48 -","4","0.5","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.1304","0.0771","","","0.1944","0.2111","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207354","13.86","0.004","15.78","0.003","13.325","0.003","90","","90","","90","","2914.3","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H18 Cd2 N8 O8 -","- C30 H18 Cd2 N8 O8 -","- C120 H72 Cd8 N32 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0682","0.0406","","","0.0545","0.0616","","","","","","0.964","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207355","8.652","0.002","9.105","0.006","12.29","0.005","93.175","0.004","100.408","0.003","113.747","0.008","862.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cd3 N6 O21 -","- C30 H18 Cd3 N6 O21 -","- C30 H18 Cd3 N6 O21 -","1","0.5","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0374","0.0313","","","0.0872","0.09","","","","","","0.997","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207356","8.743","0.005","9.887","0.005","11.655","0.001","71.127","0.009","72.77","0.001","65.701","0.005","853.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cd2 Cl N3 O8 -","- C14 H8 Cd2 Cl N3 O8 -","- C28 H16 Cd4 Cl2 N6 O16 -","2","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.029","0.0258","","","0.0679","0.0693","","","","","","1.088","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207357","13.562","0.006","6.941","0.002","16.19","0.001","90","","102.243","0.003","90","","1489.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cd2 N3 O8 -","- C12 H11 Cd2 N3 O8 -","- C48 H44 Cd8 N12 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0421","0.0291","","","0.0618","0.066","","","","","","0.936","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207358","8.259","0.008","10.892","0.001","16.45","0.009","90","","98.025","0.008","90","","1465.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N3 O10 Zn2 -","- C12 H8 N3 O10 Zn2 -","- C48 H32 N12 O40 Zn8 -","4","0.5","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0543","0.0436","","","0.1199","0.1374","","","","","","0.986","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207359","8.301","0.006","14.878","0.005","11.575","0.004","90","","90.854","0.009","90","","1429.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Eu N3 O9 -","- C11 H5 Eu N3 O9 -","- C44 H20 Eu4 N12 O36 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.049","0.0311","","","0.0675","0.0734","","","","","","1.011","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207360","8.321","0.009","14.724","0.001","11.522","0.003","90","","90.797","0.007","90","","1411.5","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O9 Tb -","- C11 H7 N3 O9 Tb -","- C44 H28 N12 O36 Tb4 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0478","0.0312","","","0.0661","0.07","","","","","","1.02","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207361","9.5565","0.0005","12.4706","0.0006","22.8429","0.001","90","","102.6","0.002","90","","2656.7","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H42 Mn3 N8 O22 -","- C30 H42 Mn3 N8 O22 -","- C60 H84 Mn6 N16 O44 -","2","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0519","0.0454","","","0.1089","0.113","","","","","","0.981","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207362","14.3147","0.0015","12.5692","0.0013","17.753","0.002","90","","94.401","0.006","90","","3184.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Mn3 N12 O24 -","- C48 H78 Mn3 N12 O24 -","- C96 H156 Mn6 N24 O48 -","2","0.5","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0474","0.0398","","","0.1022","0.1076","","","","","","1.034","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207363","13.112","0.0011","23.1084","0.0019","6.7362","0.0006","90","","92.986","0.001","90","","2038.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Mn N4 O10 -","- C18 H19 Mn N4 O10 -","- C72 H76 Mn4 N16 O40 -","4","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.085","0.0655","","","0.1667","0.186","","","","","","1.108","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207364","10.8218","0.0011","15.0383","0.0016","16.836","0.0017","87.608","0.002","87.621","0.002","72.264","0.002","2606.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 O15 Zn2 -","- C20 H18 N6 O15 Zn2 -","- C80 H72 N24 O60 Zn8 -","4","2","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0951","0.0795","","","0.1784","0.186","","","","","","1.184","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207365","20.592","0.004","7.4868","0.0012","17.275","0.003","90","","123.44","0.006","90","","2222.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N6 O13 Zn2 -","- C20 H20 N6 O13 Zn2 -","- C80 H80 N24 O52 Zn8 -","4","0.5","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0336","0.0318","","","0.0939","0.0949","","","","","","1.075","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207366","10.3253","0.0018","10.6116","0.0017","11.0121","0.0019","90","","115.701","0.003","90","","1087.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0429","0.0374","","","0.0939","0.0967","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207367","11.1185","0.0016","10.599","0.0015","9.7609","0.0013","90","","116.445","0.002","90","","1029.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0374","0.0372","","","0.0938","0.0941","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207368","10.9277","0.0012","21.32","0.002","21.32","0.002","82.64","","75.341","0.002","75.341","0.002","4638.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 N24 O48 Zn10 -","- C80 H46 N24 O48 Zn10 -","- C160 H92 N48 O96 Zn20 -","2","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.1585","0.13","","","0.2757","0.2854","","","","","","1.202","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207369","30.7917","0.0004","10.2374","0.0001","11.7082","0.0002","90","","90.481","0.001","90","","3690.61","0.09","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N4 Si -","- C44 H40 N4 Si -","- C176 H160 N16 Si4 -","4","0.5","","Mei, J.; Wang, J.; Qin, A.; Zhao, H.; Yuan, W.; Zhao, Z.; Sung, H. H. Y.; Deng, C.; Zhang, S.; Williams, I. D.; Sun, J. Z.; Tang, B. Z.","Construction of soft porous crystal with silole derivative: strategy of framework design, multiple structural transformability and mechanofluorochromism","Journal of Materials Chemistry","2012","22","10","4290","","10.1039/c1jm12673c","","","1.54178","CuKα","","0.0396","0.0366","","","0.1015","0.1043","","","","","","1.036","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207370","13.268","0.003","10.287","0.002","13.771","0.004","90","","113.39","0.03","90","","1725.1","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H32 N4 O Si -","- C41 H32 N4 O Si -","- C82 H64 N8 O2 Si2 -","2","0.5","","Mei, J.; Wang, J.; Qin, A.; Zhao, H.; Yuan, W.; Zhao, Z.; Sung, H. H. Y.; Deng, C.; Zhang, S.; Williams, I. D.; Sun, J. Z.; Tang, B. Z.","Construction of soft porous crystal with silole derivative: strategy of framework design, multiple structural transformability and mechanofluorochromism","Journal of Materials Chemistry","2012","22","10","4290","","10.1039/c1jm12673c","","","1.54178","CuKα","","0.095","0.0562","","","0.1091","0.1175","","","","","","1.003","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207371","17.8066","0.0007","8.6123","0.0004","16.768","0.0007","90","","93.194","0.004","90","","2567.48","0.19","295","1","295","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","1","","Kanth Siram, Raja Bhaskar; Smith, Jeremy; Anthopoulos, Thomas D.; Patil, Satish","Acenaphtho[1,2-b]quinoxaline based low band gap copolymers for organic thin film transistor applications","Journal of Materials Chemistry","2012","22","10","4450","","10.1039/c1jm13540f","","x-ray","0.71073","MoKα","","0.1026","0.0546","","","0.1356","0.1551","","","","","","1.086","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207372","26.232","0.005","10","0.002","15.213","0.003","90","","100.53","0.03","90","","3923.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 B N O2 -","- C25 H18 B N O2 -","- C200 H144 B8 N8 O16 -","8","1","","Li, Di; Zhang, Hongyu; Wang, Chenguang; Huang, Shuo; Guo, Jianhua; Wang, Yue","Construction of full-color-tunable and strongly emissive materials by functionalizing a boron-chelate four-ring-fused π-conjugated core","Journal of Materials Chemistry","2012","22","10","4319","","10.1039/c1jm14606h","","","0.71073","MoKα","","0.1743","0.0742","","","0.1247","0.154","","","","","","0.997","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207373","9.781","0.002","13.651","0.003","16.457","0.005","90","","114.07","0.02","90","","2006.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 B N O S -","- C25 H18 B N O S -","- C100 H72 B4 N4 O4 S4 -","4","1","","Li, Di; Zhang, Hongyu; Wang, Chenguang; Huang, Shuo; Guo, Jianhua; Wang, Yue","Construction of full-color-tunable and strongly emissive materials by functionalizing a boron-chelate four-ring-fused π-conjugated core","Journal of Materials Chemistry","2012","22","10","4319","","10.1039/c1jm14606h","","","0.71073","MoKα","","0.1106","0.0542","","","0.1284","0.1502","","","","","","1.043","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207374","13.017","0.003","12.93","0.003","18.193","0.006","90","","132.518","0.018","90","","2256.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B N2 O S -","- C27 H23 B N2 O S -","- C108 H92 B4 N8 O4 S4 -","4","1","","Li, Di; Zhang, Hongyu; Wang, Chenguang; Huang, Shuo; Guo, Jianhua; Wang, Yue","Construction of full-color-tunable and strongly emissive materials by functionalizing a boron-chelate four-ring-fused π-conjugated core","Journal of Materials Chemistry","2012","22","10","4319","","10.1039/c1jm14606h","","","0.71073","MoKα","","0.0804","0.0445","","","0.1006","0.1137","","","","","","1.023","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207375","12.881","0.002","9.6559","0.0016","13.088","0.002","90","","110.357","0.003","90","","1526.2","0.4","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 La2 O14 S -","- C8 H12 La2 O14 S -","- C32 H48 La8 O56 S4 -","4","1","","D'Vries, Richard F.; Iglesias, Marta; Snejko, Natalia; Alvarez-Garcia, Susana; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Mixed lanthanide succinate‒sulfate 3D MOFs: catalysts in nitroaromatic reduction reactions and emitting materials","Journal of Materials Chemistry","2012","22","3","1191","","10.1039/c1jm14677g","","","0.71073","MoKα","","0.0472","0.0344","","","0.0733","0.076","","","","","","1.183","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207376","12.758","0.001","9.5881","0.0008","12.9304","0.0011","90","","110.233","0.001","90","","1484.1","0.2","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O14 Pr2 S -","- C8 H12 O14 Pr2 S -","- C32 H48 O56 Pr8 S4 -","4","1","","D'Vries, Richard F.; Iglesias, Marta; Snejko, Natalia; Alvarez-Garcia, Susana; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Mixed lanthanide succinate‒sulfate 3D MOFs: catalysts in nitroaromatic reduction reactions and emitting materials","Journal of Materials Chemistry","2012","22","3","1191","","10.1039/c1jm14677g","","","0.71073","MoKα","","0.0429","0.0356","","","0.0907","0.0925","","","","","","1.376","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207377","12.7225","0.0019","9.5748","0.0014","12.897","0.002","90","","110.205","0.002","90","","1474.4","0.4","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Nd2 O14 S -","- C8 H12 Nd2 O14 S -","- C32 H48 Nd8 O56 S4 -","4","1","","D'Vries, Richard F.; Iglesias, Marta; Snejko, Natalia; Alvarez-Garcia, Susana; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Mixed lanthanide succinate‒sulfate 3D MOFs: catalysts in nitroaromatic reduction reactions and emitting materials","Journal of Materials Chemistry","2012","22","3","1191","","10.1039/c1jm14677g","","","0.71073","MoKα","","0.0836","0.0696","","","0.1961","0.2002","","","","","","1.314","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207378","12.6365","0.0006","9.5308","0.0004","12.8091","0.0006","90","","110.128","0.001","90","","1448.46","0.11","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O14 S Sm2 -","- C8 H12 O14 S Sm2 -","- C32 H48 O56 S4 Sm8 -","4","1","","D'Vries, Richard F.; Iglesias, Marta; Snejko, Natalia; Alvarez-Garcia, Susana; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Mixed lanthanide succinate‒sulfate 3D MOFs: catalysts in nitroaromatic reduction reactions and emitting materials","Journal of Materials Chemistry","2012","22","3","1191","","10.1039/c1jm14677g","","","0.71073","MoKα","","0.0489","0.0365","","","0.0821","0.085","","","","","","1.272","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207379","5.2396","0.0002","11.2287","0.0004","11.5459","0.0005","94.362","0.003","99.095","0.002","103.466","0.002","647.79","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H8 Br2 F14 N2 O4 -","- C26 H8 Br2 F14 N2 O4 -","- C26 H8 Br2 F14 N2 O4 -","1","0.5","","Usta, Hakan; Kim, Choongik; Wang, Zhiming; Lu, Shaofeng; Huang, Hui; Facchetti, Antonio; Marks, Tobin J.","Anthracenedicarboximide-based semiconductors for air-stable, n-channel organic thin-film transistors: materials design, synthesis, and structural characterization","Journal of Materials Chemistry","2012","22","10","4459","","10.1039/c1jm14713g","","","0.71073","MoKα","","0.0497","0.0334","","","0.0692","0.0732","","","","","","0.967","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207380","5.5811","0.0004","8.4397","0.0007","20.1209","0.0014","90.954","0.006","91.204","0.006","93.579","0.007","945.54","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 F14 N4 O4 -","- C42 H24 F14 N4 O4 -","- C42 H24 F14 N4 O4 -","1","0.5","","Usta, Hakan; Kim, Choongik; Wang, Zhiming; Lu, Shaofeng; Huang, Hui; Facchetti, Antonio; Marks, Tobin J.","Anthracenedicarboximide-based semiconductors for air-stable, n-channel organic thin-film transistors: materials design, synthesis, and structural characterization","Journal of Materials Chemistry","2012","22","10","4459","","10.1039/c1jm14713g","","","0.71073","MoKα","","0.3874","0.0799","","","0.127","0.177","","","","","","0.907","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207381","16.759","0.005","4.4914","0.0014","18.515","0.007","90","","114.283","0.005","90","","1270.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 N2 -","- C30 H34 Cl2 N2 -","- C60 H68 Cl4 N4 -","2","0.5","","Zhao, Guangyao; Dong, Huanli; Zhao, Huaping; Jiang, Lang; Zhang, Xiaotao; Tan, Jiahui; Meng, Qing; Hu, Wenping","Substitution effect on molecular packing and transistor performance of indolo[3,2-b]carbazole derivatives","Journal of Materials Chemistry","2012","22","10","4409","","10.1039/c1jm14891e","","","0.71073","MoKα","","0.0616","0.0558","","","0.1155","0.1185","","","","","","1.193","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207382","13.125","0.003","5.6381","0.0011","8.0541","0.0016","90","","96.23","0.03","90","","592.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 -","- C18 H12 N2 -","- C36 H24 N4 -","2","0.5","","Zhao, Guangyao; Dong, Huanli; Zhao, Huaping; Jiang, Lang; Zhang, Xiaotao; Tan, Jiahui; Meng, Qing; Hu, Wenping","Substitution effect on molecular packing and transistor performance of indolo[3,2-b]carbazole derivatives","Journal of Materials Chemistry","2012","22","10","4409","","10.1039/c1jm14891e","","","0.71073","MoKα","","0.0418","0.0365","","","0.0981","0.1023","","","","","","1.075","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207383","14.73","0.003","5.8026","0.0012","7.6541","0.0015","90","","100.39","0.03","90","","643.5","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl2 N2 -","- C18 H10 Cl2 N2 -","- C36 H20 Cl4 N4 -","2","0.5","","Zhao, Guangyao; Dong, Huanli; Zhao, Huaping; Jiang, Lang; Zhang, Xiaotao; Tan, Jiahui; Meng, Qing; Hu, Wenping","Substitution effect on molecular packing and transistor performance of indolo[3,2-b]carbazole derivatives","Journal of Materials Chemistry","2012","22","10","4409","","10.1039/c1jm14891e","","","0.71073","MoKα","","0.0319","0.0293","","","0.0899","0.0912","","","","","","1.121","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207384","8.8102","0.0002","15.6323","0.0004","16.3592","0.0004","103.544","0.001","100.811","0.001","90.1909","0.0012","2148.88","0.09","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Co2 N6 O13 -","- C33 H25 Co2 N5 O9 -","- C66 H50 Co4 N10 O18 -","2","1","","Song, Ping; Liu, Bin; Li, Yaoqi; Yang, Junzhi; Wang, Zheming; Li, Xingguo","Two pillared-layer metal‒organic frameworks constructed with Co(ii), 1,2,4,5-benzenetetracarboxylate, and 4,4′-bipyridine: syntheses, crystal structures, and gas adsorption properties","CrystEngComm","2012","14","6","2296","","10.1039/c2ce05586d","","","0.71073","MoKα","","0.083","0.0431","","","0.107","0.1155","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7207385","10.2537","0.0002","13.3383","0.0003","11.6839","0.0003","90","","120.648","0.001","90","","1374.76","0.06","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Co2 N4 O10 -","- C26 H24 Co2 N4 O10 -","- C52 H48 Co4 N8 O20 -","2","0.5","","Song, Ping; Liu, Bin; Li, Yaoqi; Yang, Junzhi; Wang, Zheming; Li, Xingguo","Two pillared-layer metal‒organic frameworks constructed with Co(ii), 1,2,4,5-benzenetetracarboxylate, and 4,4′-bipyridine: syntheses, crystal structures, and gas adsorption properties","CrystEngComm","2012","14","6","2296","","10.1039/c2ce05586d","","","0.71073","MoKα","","0.0691","0.0376","","","0.0965","0.1036","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207386","13.7314","0.0002","7.6426","0.0002","14.8068","0.0003","90","","96.755","0.002","90","","1543.09","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquacobalt(ii)-trans-1,2-bis(4-pyridil) -ethylene bis- aminosalicylate tetraahydrate","tetraaquacobalt(II)-trans-1,2-bis(4-pyridil) -ethylene bis-aminosalicylate tetraahydrate","","- C26 H38 Co N4 O14 -","- C26 H38 Co N4 O14 -","- C52 H76 Co2 N8 O28 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.0474","0.0396","","","0.1336","0.14","","","","","","1.182","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207387","13.641","0.0003","7.65426","0.00019","14.7589","0.0003","90","","96.6889","0.0019","90","","1530.51","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquanickel(ii)-trans-1,2-bis(4-pyridil) -ethylene bis- aminosalicylate tetrahydrate","tetraaquanickel(II)-trans-1,2-bis(4-pyridil) -ethylene bis-aminosalicylate tetrahydrate","","- C26 H38 N4 Ni O14 -","- C26 H38 N4 Ni O14 -","- C52 H76 N8 Ni2 O28 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.053","0.0429","","","0.1446","0.155","","","","","","1.13","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207388","13.7232","0.0003","7.6423","0.0002","14.8063","0.0004","90","","96.804","0.002","90","","1541.9","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquazinc(ii)-trans-1,2-bis(4-pyridil)-ethylene bis- aminosalicylate tetraahydrate","tetraaquazinc(II)-trans-1,2-bis(4-pyridil)- ethylene bis-aminosalicylate tetraahydrate","","- C26 H38 N4 O14 Zn -","- C26 H38 N4 O14 Zn -","- C52 H76 N8 O28 Zn2 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.04","0.0328","","","0.1005","0.1119","","","","","","1.158","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207389","9.8549","0.001","12.9803","0.0013","13.1435","0.0013","88.025","0.002","78.041","0.002","85.364","0.002","1639.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cu4 N8 O17 S2 -","- C24 H26 Cu4 N8 O17 S2 -","- C48 H52 Cu8 N16 O34 S4 -","2","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0459","0.0415","","","0.1072","0.1093","","","","","","1.069","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207390","11.3702","0.0014","17.1","0.002","17.374","0.002","90","","90","","90","","3378","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cu2 N4 O9 S -","- C12 H14 Cu2 N4 O9 S -","- C96 H112 Cu16 N32 O72 S8 -","8","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0435","0.0363","","","0.0956","0.0979","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207391","9.763","0.002","15.902","0.004","9.503","0.002","90","","109.733","0.004","90","","1388.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N6 O -","- C14 H8 Cu2 N6 O -","- C56 H32 Cu8 N24 O4 -","4","0.5","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0457","0.0346","","","0.0785","0.0807","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207392","7.2659","0.0014","9.9624","0.0019","13.716","0.003","94.208","0.004","98.334","0.003","103.15","0.004","950.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cu2 N4 O7 -","- C20 H14 Cu2 N4 O7 -","- C40 H28 Cu4 N8 O14 -","2","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.066","0.0442","","","0.0692","0.0725","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207393","3.7781","0.0017","12.032","0.005","11.896","0.005","90","","91.585","0.009","90","","540.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C24 H16 Cu2 N4 O8 -","2","0.5","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0538","0.0386","","","0.0734","0.0756","","","","","","1.001","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207394","8.8209","0.0003","13.7896","0.0005","18.6855","0.0006","90","","90","","90","","2272.84","0.13","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 Eu N4 Na O8 -","- C24 H12 Eu N4 Na O8 -","- C96 H48 Eu4 N16 Na4 O32 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0239","0.0213","","","0.0579","0.0593","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207395","8.8179","0.0003","13.7604","0.0003","18.66","0.0004","90","","90","","90","","2264.16","0.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 N4 Na O8 Tb -","- C24 H12 N4 Na O8 Tb -","- C96 H48 N16 Na4 O32 Tb4 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0198","0.0164","","","0.0428","0.0443","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207396","8.7617","0.0008","21.2393","0.0018","15.8856","0.0011","90","","121.147","0.004","90","","2530","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Eu K N4 O9 -","- C25 H16 Eu K N4 O9 -","- C100 H64 Eu4 K4 N16 O36 -","4","1","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0519","0.0367","","","0.0794","0.0856","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207397","8.8249","0.0001","21.0395","0.0003","15.8776","0.0003","90","","120.844","0.002","90","","2531.07","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 K N4 O9 Tb -","- C25 H16 K N4 O9 Tb -","- C100 H64 K4 N16 O36 Tb4 -","4","1","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","1.54178","CuKα","","0.0763","0.0707","","","0.1732","0.1805","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207398","22.3163","0.0005","22.3163","0.0005","12.7222","0.0006","90","","90","","90","","6335.9","0.4","185","2","185","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H23.1 N5.3 Ni O5.3 -","- C22 H14 N4 Ni O4 -","- C176 H112 N32 Ni8 O32 -","8","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0602","0.047","","","0.1174","0.1225","","","","","","1.015","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207399","6.1802","0.0004","29.4218","0.0018","23.3127","0.0014","90","","95.663","0.001","90","","4218.3","0.5","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N8 O9 Zn2 -","- C39 H36 N8 O9 Zn2 -","- C156 H144 N32 O36 Zn8 -","4","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.1023","0.063","","","0.1848","0.21","","","","","","1.062","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207400","8.1191","0.0005","18.8297","0.0011","18.7331","0.0012","90","","100.574","0.001","90","","2815.3","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cd N7 O7 -","- C22 H14 Cd N4 O4 -","- C88 H56 Cd4 N16 O16 -","4","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0502","0.0373","","","0.1009","0.1048","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207401","24.803","0.0005","24.803","0.0005","16.3693","0.0003","90","","90","","120","","8721.1","0.3","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C96 H66 Co12 N15 O46 -","- C96 H66 Co12 N15 O46 -","- C192 H132 Co24 N30 O92 -","2","0.166667","","Chen, Qing; Xue, Wei; Wang, Bao-Ying; Zeng, Ming-Hua; Chen, Xiao-Ming","Unprecedented binodal (7,9)-connected network based on distinct tricobalt(ii) clusters: structure, topology and cooperative magnetism","CrystEngComm","2012","14","6","2009","","10.1039/c2ce06020e","","","0.71075","MoKα","","0.0806","0.0703","","","0.2174","0.2371","","","","","","1.047","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207402","6.7174","0.0013","22.973","0.005","7.2182","0.0014","90","","100.255","0.002","90","","1096.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N4 O5 -","- C8 H8 Cd N4 O5 -","- C32 H32 Cd4 N16 O20 -","4","1","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0265","0.0225","","","0.0545","0.0565","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207403","11.2987","0.0013","19.407","0.002","8.4415","0.001","90","","90","","90","","1851","0.4","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Cd N4 O4 -","- C8 H6 Cd N4 O4 -","- C64 H48 Cd8 N32 O32 -","8","0.5","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0246","0.024","","","0.0729","0.0738","","","","","","1.084","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207404","6.3478","0.0017","7.609","0.002","17.406","0.005","84.001","0.003","89.051","0.003","66.246","0.003","765","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cd2 N4 O10 S -","- C8 H10 Cd2 N4 O10 S -","- C16 H20 Cd4 N8 O20 S2 -","2","1","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0587","0.0559","","","0.1857","0.1877","","","","","","1.096","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207405","14.0366","0.0005","8.0126","0.0003","17.497","0.0007","90","","98.2","0.004","90","","1947.76","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 N8 O12 Zn -","- C34 H28 Cl2 N8 O12 Zn -","- C68 H56 Cl4 N16 O24 Zn2 -","2","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","0.71073","MoKα","","0.1205","0.0765","","","0.2254","0.2725","","","","","","1.091","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207406","13.44","0.005","18.453","0.005","11.221","0.005","90","","107.95","0.005","90","","2647.4","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 N4 O6 Zn -","- C26 H16 Cl2 N4 O6 Zn -","- C104 H64 Cl8 N16 O24 Zn4 -","4","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","0.71073","MoKα","","0.0963","0.0563","","","0.1282","0.143","","","","","","1.005","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207407","8.5441","0.0006","9.5798","0.0007","12.6628","0.0009","71.189","0.006","87.143","0.006","78.616","0.006","961.69","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 F6 N4 O17 S2 Zn -","- C28 H24 F6 N4 O17 S2 Zn -","- C28 H24 F6 N4 O17 S2 Zn -","1","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","1.54178","CuKα","","0.0598","0.0564","","","0.1742","0.1789","","","","","","1.02","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207408","25.712","0.004","25.712","0.004","36.372","0.007","90","","90","","120","","20824","6","173","2","173","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C174 H168 Cl6 N18 Ni3 O27 -","- C174 H114 Cl6 N18 Ni3 O30 -","- C522 H342 Cl18 N54 Ni9 O90 -","3","0.0833333","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.1154","0.1143","","","0.3369","0.3381","","","","","","1.262","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207409","24.817","0.005","25.609","0.005","16.634","0.003","90","","90.25","0.03","90","","10571","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C382 H416 Cl42 N48 Ni8 O30 -","- C382 H356 Cl42 N48 Ni8 O30 -","- C382 H356 Cl42 N48 Ni8 O30 -","1","0.25","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.1186","0.0887","","","0.1981","0.2166","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207410","25.712","0.005","25.712","0.005","36.372","0.006","90","","90","","120","","20824","7","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C174 H114 Cl6 N18 Ni3 -","- C174 H114 Cl6 N18 Ni3 -","- C522 H342 Cl18 N54 Ni9 -","3","0.0833333","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.0689","0.0657","","","0.1807","0.1845","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207411","10.185","0.005","10.983","0.005","14.243","0.005","88.775","0.005","72.634","0.005","75.77","0.005","1471.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cd N4 O12 -","- C25 H22 Cd N4 O12 -","- C50 H44 Cd2 N8 O24 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.1532","0.0737","","","0.1161","0.1425","","","","","","0.947","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207412","17.518","0.005","17.907","0.005","18.204","0.005","90","0.005","111.876","0.005","90","0.005","5299","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N8 O17 Zn2 -","- C50 H43 N8 O17 Zn2 -","- C200 H172 N32 O68 Zn8 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.2063","0.0782","","","0.1399","0.1749","","","","","","1.144","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207413","20.322","0.005","7.679","0.005","16.703","0.005","90","0.005","90","0.005","90","0.005","2607","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N4 O7 Zn -","- C26 H24 N4 O7 Zn -","- C104 H96 N16 O28 Zn4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.0648","0.0461","","","0.116","0.1294","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207414","9.6973","0.0006","11.1543","0.0007","11.5573","0.0007","92.228","0.005","94.339","0.005","95.885","0.005","1238.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co N4 O7 -","- C26 H24 Co N4 O7 -","- C52 H48 Co2 N8 O14 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.0882","0.0582","","","0.1122","0.1319","","","","","","1.049","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207415","12.846","0.005","12.858","0.005","13.629","0.005","89.363","0.005","84.024","0.005","76.58","0.005","2177.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H55.5 Co N8 O13.75 -","- C38 H52 Co N8 O13.75 -","- C76 H104 Co2 N16 O27.5 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.156","0.0739","","","0.138","0.173","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207416","8.9508","0.0004","9.0335","0.0003","18.2518","0.0007","76.907","0.003","79.085","0.004","65.248","0.004","1297.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cu N4 O7 -","- C26 H24 Cu N4 O7 -","- C52 H48 Cu2 N8 O14 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1229","0.073","","","0.1381","0.1602","","","","","","1.195","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207417","15.9321","0.0007","17.2033","0.0006","9.9871","0.0004","90","","90","","90","","2737.31","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H26 Cu N4 O7 -","- C27 H26 Cu N4 O7 -","- C108 H104 Cu4 N16 O28 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1115","0.0646","","","0.1321","0.1587","","","","","","1.052","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207418","11.291","0.002","13.235","0.003","15.436","0.003","73.8","0.03","72.74","0.03","79.37","0.03","2102.3","0.9","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 La4 N12 O65 -","- C42 H94 Cu6 La4 N12 O65 -","- C42 H94 Cu6 La4 N12 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.061","0.0517","","","0.1474","0.1559","","","","","","1.116","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207419","11.19","0.002","13.181","0.003","15.356","0.003","73.7","0.03","72.87","0.03","79.78","0.03","2066.3","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 N12 Nd4 O65 -","- C42 H94 Cu6 N12 Nd4 O65 -","- C42 H94 Cu6 N12 Nd4 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.0518","0.0345","","","0.0832","0.0902","","","","","","1.044","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207420","11.0485","0.0003","13.1016","0.0003","15.4028","0.0003","73.203","0.002","72.574","0.002","79.917","0.002","2026.92","0.09","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 Gd4 N12 O65 -","- C42 H94 Cu6 Gd4 N12 O65 -","- C42 H94 Cu6 Gd4 N12 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.0569","0.036","","","0.0748","0.082","","","","","","1.063","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207421","25.054","0.002","13.2154","0.0009","17.3885","0.0013","90","","90","","90","","5757.3","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O10 -","- C128 H224 Cl16 Cu8 N96 O80 -","8","0.25","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0713","0.0616","","","0.1807","0.1874","","","","","","1.073","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207422","9.1844","0.0007","13.1362","0.0014","8.2785","0.0007","90","","95.885","0.007","90","","993.52","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H12 Cl2 Cu N12 O8 -","- C10 H12 Cl2 Cu N12 O8 -","- C20 H24 Cl4 Cu2 N24 O16 -","2","0.25","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0563","0.0417","","","0.1021","0.1062","","","","","","1.048","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207423","14.198","0.0006","21.2033","0.0006","8.7574","0.0003","90","","90","","90","","2636.37","0.16","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H22 Cl2 Cu N12 O11 -","- C12 H16 Cl2 Cu N12 O11 -","- C48 H64 Cl8 Cu4 N48 O44 -","4","0.5","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.086","0.0661","","","0.1854","0.2057","","","","","","1.072","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207424","18.2592","0.0006","12.6726","0.0004","12.0365","0.0005","90","","90","","90","","2785.14","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H27 Cl2 Cu N12 O11.5 -","- C14 H27 Cl2 Cu N12 O11.5 -","- C56 H108 Cl8 Cu4 N48 O46 -","4","1","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0386","0.0348","","","0.0954","0.0968","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207425","9.991","0.005","16.421","0.005","15.645","0.005","90","","108.492","0.005","90","","2434.2","1.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C112 H80 F24 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0663","0.0551","","","0.1276","0.13","","","","","","1.269","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207426","5.359","0.005","7.714","0.005","14.242","0.005","77.099","0.005","81.606","0.005","89.607","0.005","567.5","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C28 H20 F6 N2 O2 -","2","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.052","0.04","","","0.1037","0.1078","","","","","","1.093","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207427","9.052","0.005","9.052","0.005","15.156","0.005","90","","90","","90","","1241.9","1.1","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0438","0.0334","","","0.0714","0.0742","","","","","","1.014","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207428","13.8471","0.0004","8.6097","0.0002","10.0943","0.0003","90","","100.131","0.003","90","","1184.67","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0706","0.0492","","","0.1127","0.1297","","","","","","1.031","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207429","9.034","0.005","13.743","0.005","11.372","0.005","90","","90","","90","","1411.9","1.1","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0502","0.0399","","","0.1008","0.1047","","","","","","1.023","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207430","12.059","0.005","12.54","0.005","8.884","0.005","90","","91.804","0.005","90","","1342.8","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.1001","0.0539","","","0.1244","0.1371","","","","","","1.012","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207431","12.8346","0.0008","8.061","0.005","14.155","0.005","90","","108.35","0.005","90","","1390","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0976","0.0445","","","0.1031","0.1157","","","","","","0.976","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207432","25.559","0.005","11.622","0.005","9.509","0.005","90","","90","","90","","2825","2","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C120 H72 F48 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0783","0.0538","","","0.1461","0.1572","","","","","","1.1","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207433","5.2019","0.0003","14.3865","0.0007","18.1844","0.0009","90","","97.367","0.005","90","","1349.63","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0851","0.0568","","","0.1331","0.1504","","","","","","1.083","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207434","21.2145","0.0013","6.779","0.0003","9.7179","0.0005","90","","100.886","0.005","90","","1372.41","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","0.5","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.073","0.0481","","","0.1106","0.1282","","","","","","1.032","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207435","8.6642","0.0003","11.7031","0.0004","22.3567","0.0006","86.773","0.002","86.541","0.002","86.636","0.002","2255.73","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 B2 F4 N6 -","- C49 H56 B2 F4 N6 -","- C98 H112 B4 F8 N12 -","2","1","","Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang","Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base","CrystEngComm","2012","14","6","2087","","10.1039/c2ce06260g","","","0.71073","MoKα","","0.0747","0.0424","","","0.107","0.1152","","","","","","0.954","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207436","13.734","0.002","14.564","0.002","21.08","0.003","90","","103.102","0.002","90","","4106.7","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 B2 F4 N6 -","- C41 H40 B2 F4 N6 -","- C164 H160 B8 F16 N24 -","4","1","","Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang","Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base","CrystEngComm","2012","14","6","2087","","10.1039/c2ce06260g","","","0.71073","MoKα","","0.0917","0.0634","","","0.1863","0.1972","","","","","","1.101","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207437","9.9923","0.0009","39.407","0.004","14.7337","0.0014","90","","94.433","0.002","90","","5784.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H92 F2 N8 O7.5 -","- C52 H92 F2 N8 O7.52 -","- C208 H368 F8 N32 O30.08 -","4","1","","Dalapati, Sasanka; Akhtarul Alam, Md.; Saha, Rajat; Jana, Sankar; Guchhait, Nikhil","An efficient size-selective anion binding cleft-shaped receptor: A novel [F2(H2O)3]2− cluster with pseudo-encapsulated F− ion","CrystEngComm","2012","14","5","1527","","10.1039/c2ce06286k","","","0.71073","MoKα","","0.1355","0.106","","","0.2722","0.2911","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207438","11.499","0.005","11.793","0.005","12.374","0.005","94.564","0.007","101.799","0.007","105.126","0.007","1569.9","1.1","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULPHONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26 H36.5 Cl0.5 O14 S -","- C26.125 H36.25 Cl0.25 O14 S -","- C52.25 H72.5 Cl0.5 O28 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.1169","0.0779","","","0.1893","0.2207","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207439","12.404","0.004","12.492","0.004","13.331","0.004","99.188","0.005","109.62","0.005","116.837","0.004","1612.7","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H39 N O14.5 S -","- C28 H39 N O14.25 S -","- C56 H78 N2 O28.5 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0412","0.0398","","","0.1044","0.1061","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207440","12.401","0.004","12.587","0.004","13.25","0.004","98.697","0.005","108.729","0.005","117.919","0.004","1614.4","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H39 N O16 S -","- C27 H39 N O16.125 S -","- C54 H78 N2 O32.25 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0836","0.0811","","","0.2324","0.2352","","","","","","1.091","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207441","13.597","0.004","14.351","0.004","17.818","0.005","90","","91.466","0.005","90","","3475.7","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3,4(6),5-O-PENTA ACETYL 6(4)-O-CAMPHORSULFONYL MYO-INOSITOL","","- C28.25 H40.5 O14.75 S -","- C28.25 H40.5 O14.755 S -","- C113 H162 O59.02 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1702","0.1845","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207442","13.857","0.003","14.298","0.003","17.717","0.004","90","","90.651","0.004","90","","3510","1.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26.75 H36.75 Cl2.5 O14 S -","- C26.75 H36.75 Cl2.25 O14 S -","- C107 H147 Cl9 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0804","0.064","","","0.1726","0.1894","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207443","13.39","0.02","14.35","0.03","17.54","0.03","90","","91.55","0.02","90","","3369","10","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H40 Cl2 O14 S -","- C28 H40 Cl2.005 O14 S -","- C112 H160 Cl8.02 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0684","0.0519","","","0.1233","0.1301","","","","","","0.982","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207444","13.463","0.002","14.451","0.003","17.848","0.003","90","","91.363","0.003","90","","3471.4","1.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H38 Cl2 O14 S -","- C27 H38 Cl2 O14 S -","- C108 H152 Cl8 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0966","0.0785","","","0.2091","0.2286","","","","","","1.022","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207445","19.885","0.004","4.208","0.0008","13.807","0.003","90","","100.83","0.03","90","","1134.7","0.4","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H15 Cu2 I2 N4 S2 -","- C21 H13 Cu2 I2 N4 S2 -","- C42 H26 Cu4 I4 N8 S4 -","2","0.5","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0562","0.056","","","0.1272","0.1273","","","","","","1.025","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207446","7.6628","0.0015","8.355","0.0017","11.668","0.002","95.2","0.03","102.55","0.03","93.44","0.03","723.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu2 I2 N2 S -","- C11 H9 Cu2 I2 N2 S -","- C22 H18 Cu4 I4 N4 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0399","0.0309","","","0.0734","0.0744","","","","","","1.026","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207447","10.357","0.002","11.51","0.002","13.13","0.003","93.44","0.03","102.57","0.03","97.87","0.03","1506.8","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cu3 I3 N5 S2 -","- C25 H23 Cu3 I3 N5 S2 -","- C50 H46 Cu6 I6 N10 S4 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0525","0.0483","","","0.1305","0.1341","","","","","","1.082","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207448","7.7834","0.0016","9.768","0.002","11.779","0.002","110.16","0.03","91.73","0.03","109.35","0.03","782.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu I N3 S -","- C14 H14 Cu I N3 S -","- C28 H28 Cu2 I2 N6 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0372","0.0306","","","0.0702","0.0709","","","","","","1.017","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207449","10.868","0.002","13.951","0.003","19.474","0.004","86.82","0.03","88.76","0.03","76.72","0.03","2869.1","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu2 I2 N4 S2 -","- C25 H24 Cu2 I2 N4 S2 -","- C100 H96 Cu8 I8 N16 S8 -","4","2","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0893","0.0648","","","0.1107","0.1219","","","","","","1.151","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207450","9.889","0.002","10.169","0.002","10.898","0.002","91.87","0.03","95.71","0.03","116.91","0.03","968.7","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu2 I2 N3 S -","- C15 H16 Cu2 I2 N3 S -","- C30 H32 Cu4 I4 N6 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0468","0.0331","","","0.0749","0.0784","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207451","13.974","0.005","19.181","0.007","12.84","0.005","90","","117.009","0.003","90","","3066","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Co N2 O12 -","- C34 H28 Co N2 O12 -","- C136 H112 Co4 N8 O48 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.077","0.0493","","","0.0786","0.087","","","","","","0.998","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207452","18.101","0.004","15.391","0.004","16.678","0.004","90","","111.648","0.003","90","","4318.6","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Cu N2 O4 -","- C23 H13 Cu N2 O4 -","- C184 H104 Cu8 N16 O32 -","8","1","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.1217","0.0772","","","0.1892","0.2194","","","","","","1.006","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207453","11.749","0.002","12.01","0.002","14.524","0.003","90","","99.314","0.002","90","","2022.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Mn N2 O5 -","- C23 H15 Mn N2 O5 -","- C92 H60 Mn4 N8 O20 -","4","1","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.0699","0.0526","","","0.161","0.1735","","","","","","1.112","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207454","14.05","0.002","19.069","0.003","12.814","0.003","90","","117.154","0.001","90","","3054.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N2 Ni O12 -","- C34 H28 N2 Ni O12 -","- C136 H112 N8 Ni4 O48 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.081","0.0538","","","0.1137","0.1262","","","","","","1.002","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207455","22.908","0.003","14.679","0.003","18.591","0.004","90","","116.921","0.003","90","","5574.1","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H42 N4 O18 Zn3 -","- C68 H42 N4 O18 Zn3 -","- C272 H168 N16 O72 Zn12 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.0621","0.0506","","","0.1534","0.1628","","","","","","1.002","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207456","7.8961","0.0016","18.24","0.004","17.618","0.003","90","","96.23","0.03","90","","2522.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N12 Ni2 O13 -","- C54 H40 N12 Ni2 O13 -","- C108 H80 N24 Ni4 O26 -","2","0.5","","Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi","One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate","CrystEngComm","2012","14","6","2080","","10.1039/c2ce06345j","","","0.71073","MoKα","","0.0657","0.0464","","","0.0886","0.0946","","","","","","1.106","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207457","10.047","0.002","12.658","0.003","13.494","0.003","86.56","0.03","71.43","0.03","72.16","0.03","1547.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H52 N12 Ni3 O19 -","- C55 H52 N12 Ni3 O19 -","- C55 H52 N12 Ni3 O19 -","1","0.5","","Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi","One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate","CrystEngComm","2012","14","6","2080","","10.1039/c2ce06345j","","","0.71073","MoKα","","0.0737","0.0538","","","0.1273","0.1347","","","","","","1.103","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207458","23.567","0.0006","23.567","0.0006","46.997","0.002","90","","90","","90","","26102.3","1.5","123","0","123","0","","","","","","","","5","P 4/m c c","-P 4 2c","124","","","","- C54 H41 Cu6 N O36 -","- C54 H24 Cu6 N O35.75 -","- C432 H192 Cu48 N8 O286 -","8","0.5","","Li, Chuanqiang; Qiu, Wenge; Shi, Wei; Song, Haibin; Bai, Guangmei; He, Hong; Li, Jian; Zaworotko, Michael J.","A pcu-type metal‒organic framework based on covalently quadruple cross-linked supramolecular building blocks (SBBs): structure and adsorption properties","CrystEngComm","2012","14","6","1929","","10.1039/c2ce06384k","","","0.71073","MoKα","","0.0768","0.055","","","0.1588","0.1686","","","","","","0.537","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207459","9.47497","0.00016","10.17469","0.00014","14.53205","0.00025","90","","90","","90","","1400.96","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Mandelsaeure-(R)-Prolinamid","(R)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.365","","","","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207460","9.32239","0.00021","10.09939","0.00022","14.71604","0.00033","90","","90","","90","","1385.52","0.05","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Mandelsaeure-(R)-Prolinamid","(S)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.444","","","","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207461","3.8288","0.0002","10.6688","0.0005","12.0072","0.0006","67.07","0.003","89.415","0.003","87.226","0.003","451.17","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Quinoline/fumaric acid (2:1)","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","1","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.043","0.031","","","0.0747","0.0807","","","","","","1.034","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207462","3.8896","0.0002","19.6117","0.0013","13.0475","0.0008","90","","92.417","0.003","90","","994.4","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Methylquinoline/fumaric acid (2:1)","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C48 H44 N4 O8 -","2","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.0571","0.0494","","","0.1291","0.1355","","","","","","1.137","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207463","3.8588","0.0002","19.5187","0.0011","13.072","0.0008","90","","92.465","0.003","90","","983.66","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","75% 6-Methylquinoline/fumaric acid (2:1) 25% Quinoline/fumaric acid (2:1)","","","- C23.5 H21 N2 O4 -","- C23.5 H21 N2 O4 -","- C47 H42 N4 O8 -","2","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.0644","0.041","","","0.0921","0.1011","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207464","6.387","0.005","6.888","0.005","15.845","0.005","79.079","0.005","85.111","0.005","82.479","0.005","677.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 O5 P -","- C14 H13 O5 P -","- C28 H26 O10 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0701","0.0504","","","0.1278","0.1452","","","","","","1.051","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207465","5.1625","0.0003","9.7839","0.0006","14.709","0.0013","90","","90.773","0.006","90","","742.87","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Cu O6 P -","- C14 H11 Cu O6 P -","- C28 H22 Cu2 O12 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0442","0.0394","","","0.0676","0.0709","","","","","","0.993","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207466","13.647","0.001","12.2255","0.0005","10.0282","0.0004","90","","97.675","0.005","90","","1658.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25.5 Cu5 O15 P2 -","- C28 H20 Cu5 O14.82 P2 -","- C56 H40 Cu10 O29.64 P4 -","2","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0917","0.06","","","0.1329","0.1539","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207467","15.076","0.005","10.156","0.005","19.074","0.005","90","0.005","99.099","0.005","90","0.005","2883.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O11 P2 Zn3 -","- C28 H20 O11 P2 Zn3 -","- C112 H80 O44 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0747","0.0468","","","0.091","0.1039","","","","","","1.031","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207468","10.5652","0.0002","17.5422","0.0004","25.6946","0.0006","90","","90","","90","","4762.16","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 N4 O12 P2 Zn3 -","- C52 H36 N4 O12 P2 Zn3 -","- C208 H144 N16 O48 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0446","0.0361","","","0.0674","0.0712","","","","","","1.042","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207469","10.151","0.005","9.687","0.005","29.778","0.005","90","0.005","90","0.005","90","0.005","2928","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cd3 O12 P2 -","- C28 H24 Cd3 O12 P2 -","- C112 H96 Cd12 O48 P8 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0323","0.028","","","0.0564","0.0585","","","","","","1.055","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207470","14.8874","0.0007","10.9755","0.0004","9.8754","0.0004","90","","93.096","0.004","90","","1611.25","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 O7.5 P -","- C14 H10 Cd2 O7.5 P -","- C56 H40 Cd8 O30 P4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0524","0.0376","","","0.0777","0.0881","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207471","11.2243","0.0017","12.7247","0.0008","13.065","0.002","95.695","0.009","102.674","0.013","94.36","0.009","1802.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cd N4 O7.5 P -","- C38 H27 Cd N4 O7.519 P -","- C76 H54 Cd2 N8 O15.038 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0716","0.0497","","","0.107","0.1209","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207472","11.202","0.01","12.897","0.011","28.51","0.02","90","","90","","90","","4119","6","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C50 H80 Cu4 N14 O24 -","- C50 H80 Cu4 N14 O24 -","- C100 H160 Cu8 N28 O48 -","2","0.25","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.091","0.0658","","","0.1647","0.1838","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207473","7.261","","10.749","","11.075","","68.967","0.007","77.087","0.008","76.293","0.008","774.63","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 Cu2 N6 O16 -","- C20 H44 Cu2 N6 O16 -","- C20 H44 Cu2 N6 O16 -","1","0.5","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.0406","0.0372","","","0.1025","0.1057","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207474","8.007","0.0018","8.389","0.002","10.586","0.003","78.572","0.007","70.445","0.007","89.192","0.007","655.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(1,4-diammoniumbutane)tetrabromoplumbate(II)","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C8 H28 Br8 N4 Pb2 -","2","1","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0432","0.0346","","","0.0889","0.0918","","","","","","1.121","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207475","21.119","0.004","8.5018","0.0014","8.8936","0.0015","90","","103.648","0.003","90","","1551.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,4-diammonium)tetraiodoplumbate(II)","","- C4 H14 I4 N2 Pb -","- C4 H14 I4 N2 Pb -","- C16 H56 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0452","0.0394","","","0.0976","0.1003","","","","","","1.01","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207476","11.639","0.003","11.877","0.003","13.828","0.003","68.68","0.005","71.022","0.005","86.892","0.004","1679.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(1,7-diammoniumheptane)dodecaiodotriplumbate(II) diiodide","","- C28 H80 I14 N8 Pb3 -","- C28 H80 I14 N8 Pb3 -","- C28 H80 I14 N8 Pb3 -","1","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0474","0.0368","","","0.0906","0.0943","","","","","","1.07","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207477","13.815","0.003","8.3815","0.0015","9.0264","0.0016","90","","106.749","0.003","90","","1000.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,8-diammoniumoctane)tetraiodoplumbate(II)","","- C8 H22 I4 N2 Pb -","- C8 H22 I4 N2 Pb -","- C16 H44 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0616","0.0576","","","0.1372","0.1418","","","","","","1.102","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207478","14.651","0.006","7.926","0.003","8.455","0.003","90","","96.709","0.008","90","","975.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,10-diammoniumdecane)tetrabromoplumbate(II)","","- C10 H26 Br4 N2 Pb -","- C10 H26 Br4 N2 Pb -","- C20 H52 Br8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.065","0.0588","","","0.1597","0.1667","","","","","","1.119","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207479","15.8186","0.0008","8.4304","0.0004","8.8539","0.0004","90","","90.231","0.003","90","","1180.72","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,12-diammoniumdodecane)tetraiodoplumbate(II)","","- C12 H30 I4 N2 Pb -","- C12 H30 I4 N2 Pb -","- C24 H60 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0692","0.0577","","","0.1684","0.1842","","","","","","1.286","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207480","11.163","0.003","8.96","0.002","8.737","0.002","90","","90.314","0.004","90","","873.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,5-diammoniumnaphthalene)tetraiodoplumbate(II)","","- C10 H12 I4 N2 Pb -","- C10 H12 I4 N2 Pb -","- C20 H24 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0343","0.0326","","","0.0745","0.0758","","","","","","1.18","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207481","8.9023","0.0008","27.727","0.002","14.71","0.0012","90","","102.226","0.006","90","","3548.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(1,2-diammoniumethane)nonabromodiplumbate(II) tribromide","","- C8 H40 Br12 N8 Pb2 -","- C8 H40 Br12 N8 Pb2 -","- C32 H160 Br48 N32 Pb8 -","4","1","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0862","0.061","","","0.1529","0.1649","","","","","","1.06","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207482","25.333","0.008","42.923","0.014","4.5149","0.0015","90","","90","","90","","4909","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(4,4-methylenedianilinium)hexaiododiplumbate(II)","","- C13 H16 I6 N2 Pb2 -","- C13 H16 I6 N2 Pb2 -","- C104 H128 I48 N16 Pb16 -","8","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0315","0.0277","","","0.0625","0.0633","","","","","","1.033","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207483","6.7004","0.0007","8.2245","0.0008","15.4159","0.0015","90","","101","0.03","90","","833.92","0.17","190","0.2","190","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroform cyclobutanone co-crystal","trichloromethane cyclobutanone clathrate (1:1)","","- C5 H7 Cl3 O -","- C5 H7 Cl3 O -","- C20 H28 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0417","0.0342","","","0.0955","0.1041","","","","","","1.075","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207484","10.3053","0.0012","20.118","0.002","5.5119","0.0004","90","","90","","90","","1142.74","0.19","180","0.2","180","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","dichloromethane cyclobutanone co-crystal","dichloromethane cyclobutanone clathrate (1:2)","","- C9 H14 Cl2 O2 -","- C9 H14 Cl2 O2 -","- C36 H56 Cl8 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","MoKα","","0.0555","0.0325","","","0.073","0.0792","","","","","","1.072","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207485","6.2893","0.0006","7.8029","0.0009","10.3006","0.0013","103.76","0.01","103.15","0.01","98.4","0.01","467.28","0.1","180","0.2","180","0.2","","","","","","","","4","P -1","-P 1","2","dichloromethane cyclohexanone co-crystal","dichloromethane cyclohexanone clathrate (1:1)","","- C7 H12 Cl2 O -","- C7 H12 Cl2 O -","- C14 H24 Cl4 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.0453","0.0339","","","0.0912","0.0977","","","","","","1.048","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207486","6.054","0.002","6.965","0.003","16.346","0.006","90","","95.86","0.03","90","","685.6","0.5","165","0.2","165","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","chloroform methylethylketone co-crystal","trichloromethane butanone-2 clathrate (2:1)","","- C6 H10 Cl6 O -","- C6 H10 Cl6 O -","- C12 H20 Cl12 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.1068","0.0497","","","0.1044","0.1205","","","","","","0.957","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207487","8.5922","0.0011","12.7617","0.0018","7.6903","0.0009","90","","102.77","0.02","90","","822.4","0.2","160","0.2","160","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dichloromethane methylethylketone co-crystal","dichloromethane butanone-2 clathrate (1:1)","","- C5 H10 Cl2 O -","- C5 H10 Cl2 O -","- C20 H40 Cl8 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0531","0.0303","","","0.0648","0.0696","","","","","","1.004","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207488","5.8895","0.0004","13.6031","0.001","10.0396","0.0008","90","","90.99","0.02","90","","804.21","0.1","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Chloroform aceton co-crystal","trichloromethane propanone-2 clathrate (1:1)","","- C4 H7 Cl3 O -","- C4 H7 Cl3 O -","- C16 H28 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.0359","0.0289","","","0.0736","0.0772","","","","","","1.061","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207489","14.5833","0.0012","8.2213","0.0007","13.924","0.001","90","","117.21","0.01","90","","1484.7","0.2","200","0.2","200","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dichloromethane acetone co-crystal","dichloromethane propanone-2 clathrate (1:1)","","- C4 H8 Cl2 O -","- C4 H8 Cl2 O -","- C32 H64 Cl16 O8 -","8","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.055","0.0418","","","0.1275","0.1394","","","","","","1.047","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207490","5.9481","0.0005","9.3502","0.0008","12.1479","0.0011","90","","100.93","0.02","90","","663.36","0.11","200","0.2","200","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroform dioxane co-crystal","trichloromethane 1,4-dioxane (2:1)","","- C3 H5 Cl3 O -","- C3 H5 Cl3 O -","- C12 H20 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0422","0.0364","","","0.0976","0.1043","","","","","","1.066","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207491","7.8287","0.0013","10.025","0.002","14.764","0.003","90","","90","","90","","1158.7","0.4","195","0.2","195","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dichloromethane dioxane co-crystal","dichloromethane 1,4-dioxane clathrate (2:1)","","- C6 H12 Cl4 O2 -","- C6 H12 Cl4 O2 -","- C24 H48 Cl16 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","Mo-Kα","","0.0512","0.0326","","","0.0753","0.0848","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207492","23.76","0.005","39.331","0.008","40.61","0.009","90","","90","","90","","37950","14","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C60 H50 In2 N2 O17 -","- C60 H32 In2 N2 O17 -","- C960 H512 In32 N32 O272 -","16","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.18","0.0602","","","0.1754","0.2017","","","","","","0.78","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207493","23.088","0.003","39.262","0.005","41.133","0.005","90","","90","","90","","37286","8","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C56 H32 In2 O16 -","- C56 H32 In2 O16 -","- C896 H512 In32 O256 -","16","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.1483","0.0686","","","0.1946","0.2091","","","","","","0.822","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207494","12.251","0.003","18.631","0.004","20.976","0.004","90","0.03","90","0.03","90","0.03","4787.7","1.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H16 In N O8 -","- C32 H16 In N O8 -","- C128 H64 In4 N4 O32 -","4","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.0829","0.0754","","","0.2198","0.2276","","","","","","1.132","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207495","38.4167","0.0008","38.4167","0.0008","38.4167","0.0008","90","","90","","90","","56697","2","200","2","200","2","","","","","","","","9","F 2 3","F 2 2 3","196","","","","- C72 H89.33 Au4 Cl2 Co2 N4 O20.67 P4 S4 -","- C72 H84 Au4 Cl1.99933 Co2 N4 O20.6666 P4 S4 -","- C1728 H2016 Au96 Cl47.984 Co48 N96 O495.999 P96 S96 -","24","0.5","","Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi","Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters","CrystEngComm","2012","14","6","1936","","10.1039/c2ce06539h","","","0.71075","MoKα","","0.0664","0.0537","","","0.1341","0.1441","","","","","","0.976","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207496","38.0216","0.0006","38.0216","0.0006","38.0216","0.0006","90","","90","","90","","54965.6","1.5","200","2","200","2","","","","","","","","9","F 2 3","F 2 2 3","196","","","","- C72 H106 Au4 Cl2 Co2 N4 O19 P4 S4 -","- C72 H84 Au4 Cl2 Co2 N4 O19 P4 S4 -","- C1728 H2016 Au96 Cl48 Co48 N96 O456 P96 S96 -","24","0.5","","Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi","Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters","CrystEngComm","2012","14","6","1936","","10.1039/c2ce06539h","","","0.71075","MoKα","","0.0536","0.0468","","","0.1338","0.1392","","","","","","0.991","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207497","36.087","0.003","13.2881","0.001","19.2349","0.0014","90","","107.849","0.001","90","","8779.7","1.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H66 Cd23 Cl2 N176 O11 -","- C44 H42 Cd23 Cl2 N176 O11 -","- C88 H84 Cd46 Cl4 N352 O22 -","2","0.25","","Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Lu, Tong-Bu; Wang, Ke-Jun","An unprecedented (4,10)-connected porous metal‒organic framework containing two rare large secondary building units (SBUs)","CrystEngComm","2012","14","5","1538","","10.1039/c2ce06555j","","","0.71073","MoKα","","0.0721","0.0466","","","0.1292","0.1428","","","","","","1.094","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207498","8.9605","0.0002","10.9189","0.0003","14.3701","0.0004","68.122","0.001","84.327","0.002","85.734","0.002","1297.23","0.06","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C23 H22 Cl2 N2 O6 S3 -","- C23.003 H22 Cl2.006 N2 O6 S3 -","- C46.006 H44 Cl4.012 N4 O12 S6 -","2","1","","Bolduc, Andréanne; Dufresne, Stéphane; Skene, W. G.","Chemical doping of EDOT azomethine derivatives: insight into the oxidative and hydrolytic stability","Journal of Materials Chemistry","2012","22","11","5053","","10.1039/c2jm14248a","","","1.54178","CuKα","","0.0895","0.0674","","","0.1864","0.2004","","","","","","1.077","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207499","9.9129","0.0008","31.483","0.002","18.6483","0.0014","90","","105.132","0.002","90","","5618.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O S4 -","- C30 H28 N2 O S4 -","- C240 H224 N16 O8 S32 -","8","2","","Chen, Dugang; Zhong, Cheng; Dong, Xiaohu; Liu, Zhihong; Qin, Jingui","A new building block, bis(thiophene vinyl)-pyrimidine, for constructing excellent two-photon absorption materials: synthesis, crystal structure and properties","Journal of Materials Chemistry","2012","22","10","4343","","10.1039/c2jm14766a","","","0.71073","MoKα","","0.1105","0.0734","","","0.181","0.201","","","","","","1.043","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207500","21.295","0.002","16.3989","0.0019","9.7404","0.0011","90","","98.263","0.002","90","","3366.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Cl2 N -","- C45 H33 Cl2 N -","- C180 H132 Cl8 N4 -","4","1","","Zhao, Zujin; Chan, Carrie Y. K.; Chen, Shuming; Deng, Chunmei; Lam, Jacky W. Y.; Jim, Cathy K. W.; Hong, Yuning; Lu, Ping; Chang, Zhengfeng; Chen, Xiaopeng; Lu, Ping; Kwok, Hoi Sing; Qiu, Huayu; Tang, Ben Zhong","Using tetraphenylethene and carbazole to create efficient luminophores with aggregation-induced emission, high thermal stability, and good hole-transporting property","Journal of Materials Chemistry","2012","22","10","4527","","10.1039/c2jm14914a","","","0.71073","MoKα","","0.0886","0.0683","","","0.1637","0.1743","","","","","","1.045","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207501","13.0466","0.0003","7.5537","0.0002","23.8222","0.0006","90","","91.002","0.001","90","","2347.32","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HB364","","","- C26 H30 N4 S -","- C26 H30 N4 S -","- C104 H120 N16 S4 -","4","1","","Ojala, Antti; Bürckstümmer, Hannah; Hwang, Jaehyung; Graf, Katja; von Vacano, Bernhard; Meerholz, Klaus; Erk, Peter; Würthner, Frank","Planar, bulk and hybrid merocyanine/C60 heterojunction devices: a case study on thin film morphology and photovoltaic performance","Journal of Materials Chemistry","2012","22","10","4473","","10.1039/c2jm14927c","","","1.54178","CuKα","","0.035","0.034","","","0.093","0.094","","","","","","1.033","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207502","6.732","0.01","7.648","0.013","13.372","0.019","90","","94.23","0.06","90","","686.6","1.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Cl2 N2 O2 -","- C18 H6 Cl2 N2 O2 -","- C36 H12 Cl4 N4 O4 -","2","0.5","","Nishida, Jun-ichi; Deno, Hironori; Ichimura, Satoru; Nakagawa, Tomohiro; Yamashita, Yoshiro","Preparation, physical properties and n-type FET characteristics of substituted diindenopyrazinediones and bis(dicyanomethylene) derivatives","Journal of Materials Chemistry","2012","22","10","4483","","10.1039/c2jm14955a","","","0.71075","MoKα","","","0.0572","","","","0.1448","","","","","","1.064","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207503","6.838","0.009","7.76","0.01","13.38","0.013","90","","92.92","0.05","90","","709.1","1.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Br2 N2 O2 -","- C18 H6 Br2 N2 O2 -","- C36 H12 Br4 N4 O4 -","2","0.5","","Nishida, Jun-ichi; Deno, Hironori; Ichimura, Satoru; Nakagawa, Tomohiro; Yamashita, Yoshiro","Preparation, physical properties and n-type FET characteristics of substituted diindenopyrazinediones and bis(dicyanomethylene) derivatives","Journal of Materials Chemistry","2012","22","10","4483","","10.1039/c2jm14955a","","","0.71075","MoKα","","","0.0364","","","","0.065","","","","","","0.873","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207504","11.241","0.005","20.08","0.008","10.684","0.005","90","","90","","90","","2411.6","1.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H20 N2 O2 S3 -","- C28 H20 N2 O2 S3 -","- C112 H80 N8 O8 S12 -","4","1","","Chen, Shangjun; Yang, Yuheng; Wu, Yue; Tian, He; Zhu, Weihong","Multi-addressable photochromic terarylene containing benzo[b]thiophene-1,1-dioxide unit as ethene bridge: multifunctional molecular logic gates on unimolecular platform","Journal of Materials Chemistry","2012","22","12","5486","","10.1039/c2jm14973g","","","0.71073","MoKα","","0.037","0.0315","","","0.077","0.0811","","","","","","1.054","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207505","13.8921","0.001","15.1742","0.0012","35.456","0.003","88.906","0.006","79.711","0.005","84.143","0.005","7315.6","1","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H52 Si2 -","- C44 H52 Si2 -","- C352 H416 Si16 -","8","4","","Zhang, Lei; Walker, Bright; Liu, Feng; Colella, Nicholas S.; Mannsfeld, Stefan C. B.; Watkins, James J.; Nguyen, Thuc-Quyen; Briseno, Alejandro L.","Triisopropylsilylethynyl-functionalized dibenzo[def,mno]chrysene: a solution-processed small molecule for bulk heterojunction solar cells","Journal of Materials Chemistry","2012","22","10","4266","","10.1039/c2jm14998b","","","1.54178","CuKα","","0.179","0.1081","","","0.2499","0.2877","","","","","","1.04","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207506","10.9857","0.0008","15.0354","0.0008","46.669","0.003","90","","90.149","0.002","90","","7708.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","E-2-tricyanovinyl-3-n-hexyl-5-(4-(bis(4-n-butylphenyl)amino)- 2-methoxystyryl)-thiophene","E-2-tricyanovinyl-3-n-hexyl-5- [4-{bis(4-n-butylphenyl)amino}-2-methoxystyryl]-thiophene","","- C44 H48 N4 O S -","- C44 H48 N4 O S -","- C352 H384 N32 O8 S8 -","8","1","","Getmanenko, Yulia A.; Hales, Joel M.; Balu, Mihaela; Fu, Jie; Zojer, Egbert; Kwon, Ohyun; Mendez, Jeffrey; Thayumanavan, S.; Walker, Gregory; Zhang, Qing; Bunge, Scott D.; Brédas, Jean-Luc; Hagan, David J.; Van Stryland, Eric W.; Barlow, Stephen; Marder, Seth R.","Characterisation of a dipolar chromophore with third-harmonic generation applications in the near-IR","Journal of Materials Chemistry","2012","22","10","4371","","10.1039/c2jm15599k","","","0.71073","MoKα","","0.0587","0.0426","","","0.1266","0.143","","","","","","0.99","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207507","12.57","0.001","12.57","0.001","35.496","0.002","90","","90","","120","","4857.1","0.6","122.4","0.5","122.4","0.5","","","","","","","","5","R -3 :H","-R 3","148","N,N',N''-tris(3-methylpentyl)triazatriangulenium tetrafluoroborate","","","- C37 H48 B F4 N3 -","- C37 H48 B F3.99 N3 -","- C222 H288 B6 F23.94 N18 -","6","0.333333","","Sørensen, Thomas Just; Hildebrandt, Christoffer B.; Elm, Jonas; Andreasen, Jens W.; Madsen, Anders Ø.; Westerlund, Fredrik; Laursen, Bo W.","Large area, soft crystalline thin films of N,N′,N′′-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice","Journal of Materials Chemistry","2012","22","11","4797","","10.1039/c2jm15954f","","x-ray","0.71073","MoKα","","0.125","0.1003","","","0.3425","0.3734","","","","","","1.563","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207508","5.9625","0.0011","9.3712","0.0018","12.051","0.002","75.207","0.003","88.706","0.003","80.057","0.003","641.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I4 N -","- C24 H8 F8 I4 N -","- C24 H8 F8 I4 N -","1","0.5","","Gao, Hai Yue; Shen, Qian Jin; Zhao, Xiao Ran; Yan, Xiao Qing; Pang, Xue; Jin, Wei Jun","Phosphorescent co-crystal assembled by 1,4-diiodotetrafluorobenzene with carbazole based on C‒I⋯π halogen bonding","Journal of Materials Chemistry","2012","22","12","5336","","10.1039/c2jm16257a","","","0.71073","MoKα","","0.041","0.0325","","","0.0746","0.0789","","","","","","1.018","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207509","10.463","0.002","11.737","0.002","12.856","0.003","91.16","0.03","105.66","0.03","114.76","0.03","1364.3","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N5 S2 -","- C26 H23 N5 S2 -","- C52 H46 N10 S4 -","2","1","","Qiao, Yali; Zhang, Jing; Xu, Wei; Zhu, Daoben","Incorporation of pyrrole to oligothiophene-based quinoids endcapped with dicyanomethylene: a new class of solution processable n-channel organic semiconductors for air-stable organic field-effect transistors","Journal of Materials Chemistry","2012","22","12","5706","","10.1039/c2jm16700j","","","0.71073","MoKα","","0.0736","0.0676","","","0.1911","0.1971","","","","","","1.059","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207510","30.073","0.006","6.7129","0.0014","16.722","0.003","90","","104.76","0.03","90","","3264.4","1.2","100","2","100","2","","","","","","","Sigma Aldrich","5","C 1 2/c 1","-C 2yc","15","Ofloxcacin","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.5608","AgKα","","0.0701","0.0346","","","","0.0344","","","","","","2.7286","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207511","8.2477","0.0006","21.6745","0.0017","9.5199","0.0007","90","","110.692","0.001","90","","1592","0.2","100","2","100","2","","","","","","","Sigma Aldrich","5","P 1 21/c 1","-P 2ybc","14","Norfloxacin","","","- C16 H22 F N3 O5 -","- C16 H22 F N3 O5 -","- C64 H88 F4 N12 O20 -","4","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.71073","MoKα","","0.0835","0.0311","","","","0.0261","","","","","","2.1753","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207512","4.26","0.0006","9.7217","0.0012","17.862","0.003","78.225","0.008","87.712","0.009","79.626","0.007","712.34","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Norfloxacin","","","- C16 H18 F N3 O3 -","- C16 H18 F N3 O3 -","- C32 H36 F2 N6 O6 -","2","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","1.54178","CuKα","","0.1326","0.1155","","","","0.1918","","","","","","1.5936","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207513","8.4124","0.0006","22.0645","0.0015","17.1587","0.0012","90","","100.896","0.001","90","","3127.5","0.4","100","2","100","","","","","","","","Sigma Aldrich","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","","","- C15 H20.44 F N4 O4.72 -","- C15 H20.4366 F N4 O4.7183 -","- C120 H163.493 F8 N32 O37.7464 -","8","2","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.71073","MoKα","","0.0778","0.0273","","","","0.0172","","","","","","2.7767","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207514","5.2","0.001","39.96","0.008","9.38","0.0019","90","","90.55","0.03","90","","1949","0.7","100","2","100","2","","","","","","","Sigma Aldrich","6","P 1 21/c 1","-P 2ybc","14","Lomefloxacin","","","- C17 H24 Cl0.95 F2 N3 O5 -","- C17 H24 Cl0.9538 F2 N3 O5 -","- C68 H96 Cl3.8152 F8 N12 O20 -","4","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.8","synchrotron","","0.0737","0.0703","","","","0.1056","","","","","","3.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207515","5.9241","0.0001","9.4808","0.0002","18.5568","0.0004","90","","91.192","0.002","90","","1042.02","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","doxycycline monohydrate","6-Deoxy-5-oxytetracycline monohydrate","","- C22 H26 N2 O9 -","- C22 H26 N2 O9 -","- C44 H52 N4 O18 -","2","1","","Legendre, Alexandre O.; Silva, Laila R. R.; Silva, Douglas M.; Rosa, Iara M. L.; Azarias, Lilian C.; de Abreu, Polyana J.; de Araújo, Magali B.; Neves, Person P.; Torres, Claudia; Martins, Felipe T.; Doriguetto, Antonio C.","Solid state chemistry of the antibiotic doxycycline: structure of the neutral monohydrate and insights into its poor water solubility","CrystEngComm","2012","14","7","2532","","10.1039/c1ce06181j","","","0.71073","MoKα","","0.0413","0.0369","","","0.0918","0.0945","","","","","","1.051","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207516","6.2761","0.0006","22.345","0.002","6.8833","0.0007","90","","97.257","0.001","90","","957.58","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetaminophen hydrochloride hydrate","","","- C8 H12 Cl N O3 -","- C8 H12 Cl N O3 -","- C32 H48 Cl4 N4 O12 -","4","1","","Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin","Ionized form of acetaminophen with improved compaction properties","CrystEngComm","2012","14","7","2389","","10.1039/c1ce06278f","","","0.71073","MoKα","","0.0306","0.0272","","","0.0734","0.076","","","","","","1.06","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207517","6.4919","0.0006","6.1159","0.0006","16.87","0.0016","90","","90.032","0.001","90","","669.8","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzenaminium chloride","","","- C6 H8 Cl N O -","- C6 H8 Cl N O -","- C24 H32 Cl4 N4 O4 -","4","1","","Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin","Ionized form of acetaminophen with improved compaction properties","CrystEngComm","2012","14","7","2389","","10.1039/c1ce06278f","","","0.71073","MoKα","","0.0228","0.0226","","","0.0658","0.066","","","","","","1.097","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207518","7.6205","0.0005","7.9261","0.0005","8.0664","0.0007","85.402","0.007","81.432","0.006","70.018","0.006","452.55","0.06","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H24 Mn2 O14 -","- C10 H24 Mn2 O14 -","- C10 H24 Mn2 O14 -","1","0.5","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","x-ray","0.71073","MoKα","","0.0279","0.0265","","","0.0672","0.0687","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207519","9.0862","0.0005","10.7299","0.0005","19.5496","0.0007","89.452","0.003","87.337","0.004","80.347","0.004","1876.95","0.15","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H44 Co6 O31 -","- C22 H44 Co6 O31 -","- C44 H88 Co12 O62 -","2","1","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","","0.71073","MoKα","","0.073","0.0386","","","0.0699","0.0865","","","","","","1.008","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207520","16.1859","0.0007","4.8014","0.0002","9.2596","0.0004","90","","90.191","0.004","90","","719.61","0.05","295","2","295","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 Co O4 -","- C6 H8 Co O4 -","- C24 H32 Co4 O16 -","4","1","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","x-ray","0.71073","MoKα","","0.0939","0.083","","","0.2275","0.2361","","","","","","1.185","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207521","7.8814","0.0004","16.4329","0.0013","18.0521","0.0013","90","","90.406","0.004","90","","2337.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cu2 N10 O12 -","- C42 H60 Cu2 N10 O12 -","- C84 H120 Cu4 N20 O24 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1067","0.0639","","","0.1664","0.2061","","","","","","1.06","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207522","11.0014","0.0004","16.1868","0.0006","17.8272","0.0007","90","","106.526","0.002","90","","3043.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 Cu2 N10 O16 -","- C54 H72 Cu2 N10 O16 -","- C108 H144 Cu4 N20 O32 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.2395","0.0884","","","0.223","0.3108","","","","","","1.099","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207523","10.4604","0.0005","11.964","0.0007","16.1087","0.0008","78.673","0.003","72.493","0.003","64.513","0.003","1730.24","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H92 Cu2 N10 O16 -","- C66 H84 Cu2 N10 O16 -","- C66 H84 Cu2 N10 O16 -","1","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1203","0.0616","","","0.1748","0.2233","","","","","","1.101","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207524","16.5171","0.0003","11.386","0.0003","17.9517","0.0005","90","","106.933","0.001","90","","3229.7","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Cu2 N10 O24 -","- C54 H72 Cu2 N10 O24 -","- C108 H144 Cu4 N20 O48 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1473","0.0878","","0.3174","0.2482","0.2434","","","1.086","1.177","1.177","1.075","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207525","6.4897","0.0014","19.302","0.005","12.454","0.002","90","","99.848","0.019","90","","1537.1","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","0.5","","Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang","Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives","CrystEngComm","2012","14","8","2843","","10.1039/c2ce06190b","","","0.71073","MoKα","","0.2226","0.0748","","","0.1478","0.1887","","","","","","0.968","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207526","7.3324","0.0007","7.3383","0.0007","37.984","0.003","89.627","0.007","89.836","0.007","85.628","0.007","2037.8","0.3","293","2","293","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang","Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives","CrystEngComm","2012","14","8","2843","","10.1039/c2ce06190b","","","1.5418","CuKα","","0.1443","0.0995","","","0.2777","0.361","","","","","","1.081","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207527","18.9657","0.0019","10.8842","0.0011","11.7477","0.0012","90","","125.406","0.012","90","","1976.6","0.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo- 4,5-dihydro-1H-pyrrol-2-olato-κ^2^N^3^:N^3'^)copper(II)] dihydrate]","","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","- C64 H40 Cu4 N32 O32 -","4","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0408","0.0372","","","0.1026","0.1054","","","","","","1.114","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207528","6.9985","0.0009","8.0047","0.0011","9.5314","0.0014","88.986","0.011","68.71","0.013","84.342","0.013","495","0.13","291","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II)","","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","1","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","0.71073","MoKα","","0.0755","0.0492","","","0.1044","0.1157","","","","","","1.041","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207529","5.4","0.002","8.849","0.003","11.531","0.005","88.24","0.02","77.28","0.02","82.33","0.03","532.7","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) half-hydrate","","- C16 H10 Cu N8 O9 -","- C16 H10 Cu N8 O9 -","- C16 H10 Cu N8 O9 -","1","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0523","0.0494","","","0.1401","0.143","","","","","","1.091","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207530","6.753","0.001","11.707","0.002","14.382","0.002","103.56","0.01","97.73","0.01","101.01","0.01","1065.6","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) hydrate","","- C16 H12 Cu N8 O9 -","- C16 H12 Cu N8 O9 -","- C32 H24 Cu2 N16 O18 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0922","0.0571","","","0.1331","0.1533","","","","","","1.029","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207531","5.3101","0.0007","15.741","0.001","8.506","0.0001","90","","105.2","0.01","90","","686.11","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diacetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C12 H7 Cu N6 O2 -","- C12 H7 Cu N6 O2 -","- C24 H14 Cu2 N12 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0338","0.0305","","","0.0836","0.0854","","","","","","1.066","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207532","7.378","0.002","8.246","0.003","9.217","0.002","84.82","0.02","74.28","0.02","88.3","0.02","537.6","0.3","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","acetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C10 H4 Cu N5 O2 -","- C10 H4 Cu N5 O2 -","- C20 H8 Cu2 N10 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","0.71073","MoKα","","0.054","0.0311","","","0.0792","0.0864","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207533","5.8384","0.0002","9.1212","0.0003","22.1209","0.0007","90","","94.571","0.002","90","","1174.26","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0868","0.0544","","","0.1335","0.1532","","","","","","1.032","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207534","11.4528","0.0005","6.3801","0.0003","17.643","0.001","90","","90.489","0.002","90","","1289.13","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C44 H44 N12 O28 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0496","0.0384","","","0.0934","0.1007","","","","","","1.071","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207535","10.8821","0.0004","7.6597","0.0003","16.4743","0.0006","90","","103.612","0.003","90","","1334.62","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0581","0.0399","","","0.1076","0.1171","","","","","","1.066","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207536","6.6109","0.0001","6.9719","0.0002","13.9678","0.0003","93.855","0.001","97.257","0.001","101.429","0.001","623.14","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C24 H28 N4 O10 -","2","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0563","0.046","","","0.1197","0.1275","","","","","","1.061","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207537","7.4022","0.0001","13.3198","0.0003","15.1641","0.0003","109.418","0.001","93.784","0.001","104.67","0.001","1345.5","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O7 -","- C12 H13 N3 O7 -","- C48 H52 N12 O28 -","4","2","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0804","0.0586","","","0.144","0.1599","","","","","","1.052","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207538","6.5358","0.0002","7.6095","0.0003","11.8452","0.0004","79.803","0.002","78.578","0.002","75.337","0.002","553.61","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C22 H22 N2 O12 -","2","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0933","0.0551","","","0.1244","0.1445","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207539","20.264","0.002","15.8241","0.0016","16.1914","0.0016","90","","113.573","0.003","90","","4758.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H20.5 N7 O7.25 Zn -","- C18 H15 N6 O2 Zn -","- C144 H120 N48 O16 Zn8 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.1165","0.0674","","","0.1466","0.167","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207540","31.7755","0.0007","31.7755","0.0007","16.0824","0.0005","90","","90","","90","","16238.1","0.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C51 H68 Co3 N24 O31 -","- C51 H42 Co3 N24 O31 -","- C408 H336 Co24 N192 O248 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1186","0.0736","","","0.2197","0.237","","","","","","1.011","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207541","35.5716","0.0007","34.6846","0.0007","37.7791","0.0008","90","","90","","90","","46611.4","1.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C204 H180 Cl14 Cu8 N72 O63 -","- C204 H170 Cl14 Cu8 N72 O63 -","- C1632 H1360 Cl112 Cu64 N576 O504 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1039","0.0772","","","0.2109","0.2266","","","","","","1.034","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207542","8.3699","0.0014","16.482","0.003","17.686","0.003","90","","90","","90","","2439.8","0.7","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C18 H20 Cd N7 O6 -","- C18 H15 Cd N6 O2 -","- C72 H60 Cd4 N24 O8 -","4","0.25","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.0551","0.0427","","","0.0953","0.1025","","","","","","1.008","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207543","16.2938","0.0004","19.3536","0.0004","38.9277","0.0009","90","","90","","90","","12275.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H57 Cd2 N22 O19.5 -","- C51 H58.5 Cd2 N22 O19.5 -","- C408 H468 Cd16 N176 O156 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1122","0.0985","","","0.2269","0.2321","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207544","19.756","0.003","16.208","0.002","19.19","0.003","90","","98.206","0.004","90","","6081.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 N22 O17 Zn2 -","- C51 H42 N22 O17 Zn2 -","- C204 H168 N88 O68 Zn8 -","4","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.1318","0.0975","","","0.2572","0.2825","","","","","","1.048","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207545","12.581","0.008","13.474","0.009","17.579","0.017","107.462","0.015","95.017","0.016","115.509","0.01","2483","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H98 As2 Cu9 N18 O81 W18 -","- C18 H72 As2 Cu9 N18 O81 W18 -","- C18 H72 As2 Cu9 N18 O81 W18 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Cai, Xiaomeng; Wang, Zhiqiao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two organic‒inorganic hybrid 1-D and 3-D polyoxotungstates constructed from hexa-CuII substituted sandwich-type arsenotungstate units","CrystEngComm","2012","14","8","2797","","10.1039/c2ce06298d","","","0.71073","MoKα","","0.1071","0.0734","","","0.1816","0.198","","","","","","1.041","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207546","13.502","0.002","31.969","0.005","12.229","0.002","90","","113.405","0.003","90","","4844.3","1.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H92 As2 Cu9 N16 O74 W18 -","- C24 H80 As2 Cu9 N16 O74 W18 -","- C48 H160 As4 Cu18 N32 O148 W36 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Cai, Xiaomeng; Wang, Zhiqiao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two organic‒inorganic hybrid 1-D and 3-D polyoxotungstates constructed from hexa-CuII substituted sandwich-type arsenotungstate units","CrystEngComm","2012","14","8","2797","","10.1039/c2ce06298d","","","0.71073","MoKα","","0.0565","0.0432","","","0.1022","0.1091","","","","","","1.037","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207547","5.706","0.0002","11.967","0.0005","8.3401","0.0004","90","","104.273","0.002","90","","551.91","0.04","298","2","298","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0438","0.0365","","","0.0896","0.0943","","","","","","1.03","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207548","5.2927","0.0002","17.2524","0.0012","6.8518","0.0004","90","","98.865","0.003","90","","618.18","0.06","298","1","298","1","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0528","0.0364","","","0.0754","0.0823","","","","","","1.039","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207549","5.652","0.0003","11.924","0.0006","8.322","0.0006","90","","104.76","0.003","90","","542.35","0.06","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0667","0.0497","","","0.114","0.1239","","","","","","0.994","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207550","5.2554","0.0001","17.1944","0.0006","6.821","0.0002","90","","98.774","0.002","90","","609.16","0.03","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0529","0.05","","","0.1137","0.1166","","","","","","1.058","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207551","9.5767","0.0012","12.7646","0.0017","13.9388","0.0018","90","","90.758","0.002","90","","1703.8","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(Antipyrine)(4-Aminobenzoic acid)","Antipyrine 4-Aminobenzoic acid (1/1)","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","2","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0731","0.0482","","","0.1071","0.1191","","","","","","1.016","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207552","15.557","0.002","17.056","0.003","19.782","0.003","80.658","0.005","78.559","0.007","77.168","0.006","4977.6","1.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2(Phenazine)(4-Aminobenzoic acid)","Phenazine 4-Aminobenzoic acid (2/1)","","- C31 H23 N5 O2 -","- C31 H23 N5 O2 -","- C248 H184 N40 O16 -","8","4","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.6889","Synchrotron","","0.0928","0.0709","","","0.1999","0.2304","","","","","","1.111","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207553","8.958","0.003","5.1788","0.0014","14.357","0.004","90","","106.109","0.004","90","","639.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(2,2'-Bipyridine)(Succinic acid)","2,2'-Bipyridine Succinic acid (1/1)","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","0.5","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0486","0.0391","","","0.0976","0.1017","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207554","14.654","0.004","5.554","0.0014","16.288","0.004","90","","90.471","0.004","90","","1325.6","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(Diphenylcyclopropenone)(Succinic Acid)","Diphenylcyclopropenone Succinic acid (2/1)","","- C17 H13 O3 -","- C17 H13 O3 -","- C68 H52 O12 -","4","1","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0563","0.0474","","","0.1261","0.1333","","","","","","1.053","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207555","9.916","0.007","9.185","0.006","11.738","0.007","90","","90","","90","","1069.1","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-butylidene-4-hydroxybenzohydrazide","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1495","0.0578","","","0.0986","0.1221","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207556","9.835","0.003","9.153","0.003","11.37","0.005","90","","90","","90","","1023.5","0.6","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0532","0.0462","","","0.1203","0.129","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207557","9.875","0.002","9.103","0.003","11.59","0.005","90","","90","","90","","1041.8","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0636","0.0424","","","0.0959","0.1073","","","","","","1.055","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207558","9.968","0.005","8.082","0.005","13.267","0.008","90","","90","","90","","1068.8","1.1","368","2","368","2","","","","","","","","4","P n a 21","P 2c -2n","33","N'-2-propylidene-4-hydroxybenzohydrazide","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0974","0.0642","","","0.1763","0.2047","","","","","","1.121","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207559","9.008","0.001","7.064","0.001","15.833","0.002","90","","90","","90","","1007.5","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.089","0.0967","","","","","","0.91","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207560","9.157","0.004","7.196","0.003","15.566","0.006","90","","90","","90","","1025.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.049","0.037","","","0.0901","0.0974","","","","","","1.099","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207561","9.818","0.006","10.485","0.008","11.333","0.008","90","","90","","90","","1166.6","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-cyclohexylidene-4-hydroxybenzohydrazide'","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1047","0.0535","","","0.1144","0.1382","","","","","","1.009","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207562","8.415","0.004","16.247","0.007","7.729","0.003","90","","112.6","0.03","90","","975.6","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N'-cyclobutylidene-4-hydroxybenzohydrazide'","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0571","0.043","","","0.106","0.1165","","","","","","1.109","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207563","7.4965","0.0002","11.4692","0.0004","12.3648","0.0005","68.093","0.002","88.655","0.002","81.853","0.002","975.89","0.06","293","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","1","","Yang, Caiqin; Zhang, Zhenwei; Zeng, Yanli; Wang, Jing; Wang, Yongli; Ma, Baoqing","Structures and characterization of m-nisoldipine polymorphs","CrystEngComm","2012","14","7","2589","","10.1039/c2ce06359j","","","0.7107","MoKα","","0.1149","0.0676","","","0.1872","0.2265","","","","","","1.01","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207564","17.0708","0.0014","11.9644","0.001","11.0576","0.0009","90","","106.189","0.001","90","","2168.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Cl F N3 O -","- C23 H33 Cl F N3 O -","- C92 H132 Cl4 F4 N12 O4 -","4","1","","Maddileti, D.; Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Blonanserin HCl salt and its monohydrate","CrystEngComm","2012","14","7","2367","","10.1039/c2ce06367k","","","0.71073","MoKα","","0.0611","0.0499","","","0.1075","0.1136","","","","","","1.025","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207565","7.485","0.01","8.578","0.009","16.794","0.018","82.718","0.017","85.478","0.017","84.883","0.011","1063","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cl F N3 -","- C23 H31 Cl F N3 -","- C46 H62 Cl2 F2 N6 -","2","1","","Maddileti, D.; Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Blonanserin HCl salt and its monohydrate","CrystEngComm","2012","14","7","2367","","10.1039/c2ce06367k","","","0.71073","MoKα","","0.1063","0.0741","","","0.1953","0.242","","","","","","1.047","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207566","13.1622","0.0015","7.2427","0.0008","17.7408","0.0019","90","","103.584","0.002","90","","1643.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H13 Co N2 O5 -","- C18 H11 Co N2 O5 -","- C72 H44 Co4 N8 O20 -","4","1","","Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties","CrystEngComm","2012","14","8","2954","","10.1039/c2ce06372g","","","0.71073","MoKα","","0.0424","0.0353","","","0.0901","0.0942","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207567","17.795","0.002","14.8776","0.0019","16.052","0.002","90","","109.14","0.002","90","","4014.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Co N2 O7 -","- C18 H13 Co N2 O7 -","- C144 H104 Co8 N16 O56 -","8","1","","Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties","CrystEngComm","2012","14","8","2954","","10.1039/c2ce06372g","","","0.71073","MoKα","","0.0793","0.0611","","","0.1845","0.1984","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207568","7.883","0.002","8.697","0.003","12.506","0.004","90","","97.74","0.03","90","","849.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0435","0.0397","","","0.0942","0.0968","","","","","","1.114","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207569","8.1339","0.0003","8.7424","0.0004","12.4779","0.0005","90","","96.933","0.004","90","","880.81","0.06","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0447","0.0366","","","0.0897","0.0956","","","","","","1.052","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207570","6.971","0.006","19.508","0.017","7.26","0.006","90","","114.603","0.013","90","","897.7","1.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N3 O3 -","- C8 H10 N3 O3 -","- C32 H40 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0551","0.0486","","","0.1301","0.1356","","","","","","1.085","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207571","3.7408","0.0007","17.352","0.002","12.558","0.002","90","","95.76","0.016","90","","811","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0739","0.052","","","0.1146","0.1351","","","","","","1.04","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207572","3.8701","0.0004","17.3536","0.0018","12.4978","0.0013","90","","95.859","0.002","90","","834.97","0.15","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N3 O3 -","- C7 H8 N3 O3 -","- C28 H32 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0502","0.0424","","","0.1038","0.1081","","","","","","1.056","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207573","8.2124","0.0007","18.5162","0.0017","34.876","0.003","90","","90","","90","","5303.3","0.8","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dutasteride hemihydrate","","","- C54 H62 F12 N4 O5 -","- C54 H62 F12 N4 O5 -","- C216 H248 F48 N16 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0761","0.066","","","0.177","0.1893","","","","","","1.121","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207574","7.9357","0.0007","9.105","0.0008","11.1952","0.0009","73.746","0.001","88.687","0.001","86.193","0.001","774.85","0.11","294","2","294","2","","","","","","","","6","P 1","P 1","1","Dutasteride chloride hydrate ethanol solvate","","","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","1","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0479","0.0448","","","0.101","0.1031","","","","","","1.072","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207575","6.2064","0.0012","13.189","0.003","14.101","0.003","73.07","0.03","87.75","0.03","78.39","0.03","1081.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ba O10.5 S -","- C14 H17.04 Ba O10.52 S -","- C28 H34.08 Ba2 O21.04 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0494","0.0398","","","0.114","0.1219","","","","","","1.004","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207576","6.3038","0.0003","12.8616","0.0007","13.8616","0.0008","77.467","0.002","86.23","0.002","84.291","0.002","1090.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 Ba O11 S -","- C17 H21 Ba O11 S -","- C34 H42 Ba2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0406","0.0395","","","0.1126","0.114","","","","","","1.003","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207577","6.3032","0.0007","13.0543","0.0014","13.9108","0.0015","76.742","0.001","86.683","0.001","83.306","0.001","1106","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H22 Ba N0 O11 S -","- C17.5 H22 Ba O11 S -","- C35 H44 Ba2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0246","0.0233","","","0.0703","0.0714","","","","","","0.994","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207578","6.3012","0.0005","14.0909","0.001","14.1544","0.001","113.043","0.001","91.63","0.001","93.08","0.001","1153.14","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Ba N O11 S -","- C19 H22 Ba N O11 S -","- C38 H44 Ba2 N2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0277","0.0256","","","0.0739","0.0756","","","","","","1.04","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207579","6.3003","0.0002","14.0098","0.0004","14.6389","0.0004","64.98","0.001","89.644","0.001","89.075","0.001","1170.71","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H21.5 Ba N O11 S -","- C16.5 H21.5 Ba N O11 S -","- C33 H43 Ba2 N2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0259","0.0244","","","0.0744","0.0758","","","","","","0.999","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207580","6.273","0.0013","13.638","0.003","14.194","0.003","70.26","0.03","89.06","0.03","80.07","0.03","1124.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18.5 Ba F O10.25 S -","- C17 H18.5 Ba F O10.25 S -","- C34 H37 Ba2 F2 O20.5 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0655","0.0607","","","0.2201","0.2543","","","","","","1.002","","","","has coordinates,has disorder","189142","2020-10-21","18:00:00",""
"7207581","6.317","0.002","14.13","0.005","14.147","0.005","112.859","0.004","91.748","0.004","91.742","0.004","1161.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Ba O13.5 S -","- C14 H23 Ba O13.5 S -","- C28 H46 Ba2 O27 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.058","0.0549","","","0.1632","0.1675","","","","","","0.997","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207582","8.7652","0.0012","26.451","0.002","14.962","0.0018","90","","100.861","0.009","90","","3406.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 N20 O26 Zn3 -","- C48 H66 N20 O26 Zn3 -","- C96 H132 N40 O52 Zn6 -","2","0.5","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0745","0.0665","","","0.2114","0.2252","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207583","16.1042","0.0016","9.2778","0.0006","21.079","0.002","90","","101.627","0.006","90","","3084.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cd2 Cl4 N7 O2 -","- C24 H33 Cd2 Cl4 N7 O2 -","- C96 H132 Cd8 Cl16 N28 O8 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0626","0.0457","","","0.1325","0.1505","","","","","","0.988","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207584","25.184","0.015","17.768","0.011","16.452","0.008","90","","114.83","0.03","90","","6681","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H39 Cd1.5 N10 O12 -","- C24 H33 Cd1.5 N10 O12 -","- C192 H264 Cd12 N80 O96 -","8","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0995","0.0651","","","0.1648","0.1933","","","","","","1.096","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207585","9.1896","0.0008","14.2875","0.0013","27.356","0.002","90","","93.552","0.008","90","","3584.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H47 Cl3 Mn1.5 N7 O7 -","- C24 H33 Cl3 Mn1.5 N7 O7 -","- C96 H132 Cl12 Mn6 N28 O28 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.1099","0.077","","","0.2156","0.2457","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207586","9.7504","0.0001","9.7504","0.0001","21.2854","0.0015","90","","90","","120","","1752.5","0.13","123","2","123","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","catena-clambda-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')lanthanum(iii))","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')lanthanum(III)]","","- C9 H18 La2 O24 -","- C9 H18 La2 O24 -","- C27 H54 La6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0126","0.0125","","","0.0296","0.0297","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207587","9.7193","0.0014","9.7193","0.0014","21.191","0.004","90","","90","","120","","1733.6","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')cerium(III)]","","- C9 H18 Ce2 O24 -","- C9 H18 Ce2 O24 -","- C27 H54 Ce6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","x-ray","0.71073","MoKα","","0.0133","0.0127","","","0.0358","0.0361","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207588","9.7612","0.0004","9.7612","0.0004","21.3097","0.0009","90","","90","","120","","1758.39","0.13","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')praseodymium(III)]","","- C9 H18 O24 Pr2 -","- C9 H18 O24 Pr2 -","- C27 H54 O72 Pr6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0156","0.0145","","","0.0274","0.0276","","","","","","1.176","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207589","9.6974","0.0001","9.6974","0.0001","20.976","0.0005","90","","90","","120","","1708.3","0.05","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')neodymium(III)]","","- C9 H18 Nd2 O24 -","- C9 H18 Nd2 O24 -","- C27 H54 Nd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.016","0.0146","","","0.0292","0.0296","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207590","9.6396","0.0008","9.6396","0.0008","20.7433","0.0016","90","","90","","120","","1669.3","0.2","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')gadolinium(III)]","","- C9 H18 Gd2 O24 -","- C9 H18 Gd2 O24 -","- C27 H54 Gd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0187","0.0179","","","0.0391","0.0394","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207591","9.5813","0.0002","9.5813","0.0002","20.4715","0.0006","90","","90","","120","","1627.53","0.07","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')erbium(III)]","","- C9 H18 Er2 O24 -","- C9 H18 Er2 O24 -","- C27 H54 Er6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0133","0.0132","","","0.0357","0.0357","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207592","9.5548","0.0001","9.5548","0.0001","20.4006","0.0004","90","","90","","120","","1612.93","0.04","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')ytterbium(III)]","","- C9 H18 O24 Yb2 -","- C9 H18 O24 Yb2 -","- C27 H54 O72 Yb6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0137","0.0132","","","0.0366","0.0367","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207593","6.80704","0.00007","20.73858","0.00018","6.449","0.00006","90","","76.4302","0.0005","90","","884.981","0.015","298","2","298","","","","","","","","","3","P 1 21 1","P 2yb","4","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3- one","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3-one","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Gomez, Ariel; Antonio, Selma Gutierrez; Barros de Araujo, Gabriel Lima; Ferreira, Fabio Furlan; Paiva-Santos, Carlos Oliveira","Crystal structure of isotibolone: a major degradation product of tibolone","CrystEngComm","2012","14","8","2826","","10.1039/c2ce06504e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.845","","","","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207594","6.6573","0.0013","8.1256","0.0014","18.128","0.003","95.391","0.01","97.999","0.012","104.439","0.014","931.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","242 (3-pyridyl)-CONH-N=CH-(2-pyridyl), hexanoic acid hydrate","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C36 H48 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1249","0.063","","","0.1541","0.1825","","","","","","0.894","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207595","6.661","0.0008","8.4541","0.0011","19.684","0.002","99.459","0.008","94.349","0.009","107.887","0.008","1031.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF241 formylpyridine phenylhydrazone, octanoic acid, hydrate","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1322","0.0679","","","0.1609","0.1858","","","","","","0.847","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207596","6.6047","0.0008","8.0678","0.0009","15.3573","0.0018","98.182","0.006","101.688","0.008","104.436","0.009","759.84","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF363 [4-pyridyl-CONH-N=CH-2-pyridyl] adipic acid","","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.078","0.0589","","","0.1523","0.1713","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207597","6.6074","0.0006","8.1545","0.0007","15.8735","0.0014","81.488","0.006","83.679","0.006","75.024","0.007","814.8","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF357 [(3-pyridyl)-CONH-N=CH-(2-pyridyl)]2, octanedioic acid hydrate","","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1044","0.0541","","","0.13","0.1572","","","","","","0.934","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207598","6.5516","0.0004","8.1666","0.0005","33.7458","0.0019","94.293","0.003","93.041","0.003","105.225","0.003","1732.32","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","SF 356 (4-pyridyl)-CONH-N=CH-(2-pyridyl), decanedioic acid","","- C34 H42 N8 O8 -","- C34 H42 N8 O8 -","- C68 H84 N16 O16 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1133","0.0508","","","0.1141","0.1388","","","","","","1.013","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207599","8.8995","0.0002","14.6202","0.0004","14.0267","0.0003","90","","93.198","0.002","90","","1822.21","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C20 (4-pyridyl)-CONH-N=CH-(2-pyridyl), 4-aminobenzoic acid hydrate ?","","- C19 H19 N5 O4 -","- C19 H19 N5 O4 -","- C76 H76 N20 O16 -","4","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0673","0.042","","","0.0997","0.1129","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207600","6.6065","0.0014","7.2295","0.0017","21.354","0.004","92.457","0.013","97.668","0.014","116.706","0.015","896.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","SF228 (3-pyridyl)-CONH-N=CH-(2-pyridyl), 3-fluorobenzoic acid","","- C19 H17 F N4 O4 -","- C19 H17 F N4 O4 -","- C38 H34 F2 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.172","0.0624","","","0.1467","0.1947","","","","","","0.885","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207601","7.4376","0.0002","12.3798","0.0004","39.348","0.0011","90","","93.396","0.002","90","","3616.64","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SF355 4-pyridyl-CONH-N=CH-2-pyridyl, 2,4-difluorobenzoic acid hydrate","","- C19 H16 F2 N4 O4.1 -","- C19 H16 F2 N4 O4.1 -","- C152 H128 F16 N32 O32.8 -","8","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0713","0.054","","","0.1381","0.1528","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207602","6.5983","0.0013","7.2343","0.0014","19.755","0.004","81.922","0.011","84.772","0.014","80.711","0.016","919.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF229 (3-pyridyl)-CONH-N=CH-(2-pyridyl), 4-nitrobenzoic acid hydrate","","- C19 H17 N5 O6 -","- C19 H17 N5 O6 -","- C38 H34 N10 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1363","0.0866","","","0.2181","0.2475","","","","","","0.924","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207603","4.8122","0.0003","8.8128","0.0005","11.0772","0.0006","75.874","0.003","80.095","0.003","76.225","0.003","439.22","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF41 4-pyridyl-CONH-N=CH-4-pyridyl, succinic acid dihydrate","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0576","0.0491","","","0.1586","0.1659","","","","","","1.318","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207604","6.8908","0.0003","11.3841","0.0006","12.6504","0.0006","66.395","0.002","89.086","0.002","84.907","0.002","905.54","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF807 [(4-pyridyl)-CONH-N=CH-(4-pyridyl)], hexanedioic acid hydrate","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0848","0.055","","","0.1322","0.1458","","","","","","1.05","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207605","6.918","0.002","11.8","0.004","13.91","0.005","67.522","0.016","79.851","0.016","84.973","0.016","1032.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF40 4-pyridyl-CONH-N=CH-4-pyridyl, octanedioic acid hydrate","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1177","0.0629","","","0.1621","0.2042","","","","","","1.024","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207606","7.363","0.004","12.292","0.006","12.305","0.006","118.571","0.008","90.144","0.009","98.023","0.008","965.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","nevirapine-glutaric acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido [3,2-b:2',3'-e]diazepin-6-one pentanedioic acid 1:1 co-crystal","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C40 H44 N8 O10 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0537","0.0352","","","0.0798","0.0884","","","","","","1.007","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207607","7.4001","0.0005","10.4599","0.0007","23.2561","0.0016","90","","98.968","0.001","90","","1778.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nevirapine-maleic acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one (Z)-butenedioic acid 1:1 co-crystal","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0621","0.0413","","","0.0942","0.1035","","","","","","1.032","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207608","9.5649","0.0005","13.8069","0.0007","13.8726","0.0007","64.09","0.003","79.292","0.002","82.686","0.002","1616.98","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","nevirapine-saccharin 2:1 cocrystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 1,2-benzoisothiazol-3(2H)-one 1,1-dioxide 1:1 co-crystal","","- C37 H33 N9 O5 S -","- C37 H33 N9 O5 S -","- C74 H66 N18 O10 S2 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0855","0.0459","","","0.1035","0.1206","","","","","","1.039","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207609","11.1549","0.0014","12.6194","0.0015","13.4644","0.0016","113.374","0.002","99.133","0.002","107.324","0.002","1575.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","nevirapine-salicylic acid 2:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 2-hydroxybenzoic acid 2:1 co-crystal","","- C37 H34 N8 O5 -","- C37 H34 N8 O5 -","- C74 H68 N16 O10 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0899","0.0664","","","0.1851","0.2077","","","","","","1.042","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207610","9.877","0.002","19.286","0.004","9.6971","0.0019","90","","90.66","0.03","90","","1847.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nevirapine-rac-tartaric acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one rac-2,3-dihydroxybutanedioic acid 1:1 co-crystal","","- C19 H20 N4 O7 -","- C19 H20 N4 O7 -","- C76 H80 N16 O28 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0518","0.0355","","","0.0795","0.0876","","","","","","1.03","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207611","17.0461","0.0006","21.6229","0.0009","9.8505","0.0004","90","","90","","90","","3630.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H33 Br2 Cu6 N13 -","- C7 Br2 Cu6 N7 -","- C28 Br8 Cu24 N28 -","4","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.086","0.0595","","","0.1401","0.1507","","","","","","1.01","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207612","7.0962","0.0002","12.4549","0.0007","13.158","0.0005","68.16","0.004","83.115","0.003","81.834","0.003","1065.68","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Br2 Cu7 N14 -","- C8 Br2 Cu7 N8 -","- C8 Br2 Cu7 N8 -","1","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.0735","0.0537","","","0.1558","0.1687","","","","","","1.007","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207613","8.2543","0.0011","12.6631","0.0016","14.1054","0.0018","99.035","0.002","98.947","0.002","95.887","0.002","1426.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Co N4 O6 -","- C29 H32 Co N4 O6 -","- C58 H64 Co2 N8 O12 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0604","0.0435","","","0.1306","0.1498","","","","","","0.851","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207614","9.866","0.006","11.392","0.007","11.936","0.007","63.328","0.008","79.908","0.008","88.633","0.008","1177.9","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Co N2 O8 -","- C22 H21 Co N2 O7.056 -","- C44 H42 Co2 N4 O14.112 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0682","0.0559","","","0.1721","0.1789","","","","","","1.177","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207615","9.352","0.0019","12.509","0.003","12.643","0.003","66.32","0.03","80.84","0.03","79.86","0.03","1326.9","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N4 O6 -","- C26 H28 Co N4 O6 -","- C52 H56 Co2 N8 O12 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0732","0.0609","","","0.1739","0.1883","","","","","","1.053","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207616","11.326","0.002","11.827","0.002","17.784","0.003","94.695","0.002","104.155","0.002","100.96","0.002","2247","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cd2 N12 O19 -","- C32 H50 Cd2 N12 O19 -","- C64 H100 Cd4 N24 O38 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0387","0.0291","","","0.0703","0.0764","","","","","","1.026","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207617","9.3161","0.0012","10.4338","0.0013","11.5703","0.0015","87.702","0.001","68.257","0.001","69.207","0.001","971.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C36 H40 Cd2 N8 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0278","0.025","","","0.0634","0.0652","","","","","","1.039","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207618","7.7344","0.0011","9.9796","0.0014","11.6303","0.0016","88.084","0.002","78.895","0.002","70.193","0.002","828.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cd N3 O8 -","- C13 H18 Cd N3 O8 -","- C26 H36 Cd2 N6 O16 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0359","0.0329","","","0.0895","0.0922","","","","","","1.073","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207619","10.3443","0.0014","10.6769","0.0014","11.0401","0.0015","81.775","0.002","66.024","0.001","70.742","0.001","1051.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N6 O6 -","- C16 H20 Cd N6 O6 -","- C32 H40 Cd2 N12 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0394","0.0306","","","0.0682","0.0714","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207620","10.2191","0.0009","11.4377","0.0011","12.0542","0.0011","70.013","0.001","65.168","0.001","68.592","0.001","1160.43","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cd N6 O6 -","- C19 H26 Cd N6 O6 -","- C38 H52 Cd2 N12 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0286","0.0257","","","0.0656","0.0674","","","","","","1.057","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207621","7.9338","0.0009","9.7756","0.0011","10.6865","0.0012","87.166","0.001","77.817","0.001","70.773","0.001","764.78","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cd N3 O6 -","- C13 H16 Cd N3 O6 -","- C26 H32 Cd2 N6 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0221","0.0195","","","0.0466","0.0478","","","","","","1.056","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207622","11.995","0.005","11.236","0.005","10.403","0.005","90","","99.09","0.007","90","","1384.5","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0517","0.0394","","","0.1009","0.1078","","","","","","1.067","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207623","11.3275","0.0012","20.489","0.002","7.8699","0.0008","90","","131.549","0.001","90","","1366.9","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0341","0.0326","","","0.0837","0.0851","","","","","","1.063","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207624","9.016","0.004","9.765","0.005","10.068","0.005","67.731","0.009","78.939","0.008","86.504","0.009","805","0.7","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 N O6 S -","- C16 H19 N O6 S -","- C32 H38 N2 O12 S2 -","2","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.1064","0.0549","","","0.1167","0.1296","","","","","","0.951","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207625","13.8424","0.0013","7.2425","0.0007","18.778","0.0018","90","","104.95","0.002","90","","1818.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0482","0.0456","","","0.1266","0.1287","","","","","","1.124","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207626","7.865","0.0019","26.831","0.007","8.552","0.002","90","","90","","90","","1804.7","0.8","293","2","293","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0601","0.0393","","","0.0856","0.1045","","","","","","0.999","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207627","28.713","0.002","9.399","0.007","16.6487","0.0012","90","","126.015","0.009","90","","3634","3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O6 S2 -","- C16 H19 N O6 S2 -","- C128 H152 N8 O48 S16 -","8","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.2781","0.1572","","","0.388","0.5387","","","","","","1.068","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207628","9.227","","9.227","","43.99","0.003","90","","90","","90","","3745.2","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H13 Br3 N2 O7 Pb -","- C11 H13 Br3 N2 O7 Pb -","- C88 H104 Br24 N16 O56 Pb8 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0396","0.0341","","","0.0805","0.0826","","","","","","1.069","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207629","9.0731","0.0008","6.9348","0.0006","11.9935","0.0011","90","","95.716","0.001","90","","750.88","0.12","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H10 Br3 N O7 Pb -","- C9 H10 Br3 N O7 Pb -","- C18 H20 Br6 N2 O14 Pb2 -","2","0.5","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.028","0.0242","","","0.0586","0.0602","","","","","","1.079","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207630","7.5364","0.0006","9.2515","0.0007","12.6753","0.0009","70.76","0.001","73.909","0.001","66.4","0.001","753.76","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Br3 N O8 Pb -","- C8 H10 Br3 N O8 Pb -","- C16 H20 Br6 N2 O16 Pb2 -","2","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0511","0.0467","","","0.1223","0.1355","","","","","","1.042","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207631","19.45","0.003","20.139","0.005","8.06","0.002","90","","110.07","0.03","90","","2965.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","","- C26 H38 N2 O9 Pb2 -","- C26 H36 N2 O9 Pb2 -","- C104 H144 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0538","0.0518","","","0.1435","0.1461","","","","","","1.107","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207632","18.479","0.004","22.36","0.005","8.248","0.0016","90","","100.64","0.03","90","","3349.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","","- C28 H40 N2 O9 Pb2 -","- C28 H38 N2 O9 Pb2 -","- C112 H152 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0325","0.0309","","","0.0835","0.0851","","","","","","1.075","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207633","18.037","0.004","22.43","0.005","8.139","0.0016","90","","100.63","0.03","90","","3236.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","","- C28 H40 N2 O9 Pb2 -","- C28 H38 N2 O9 Pb2 -","- C112 H152 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0514","0.0498","","","0.1322","0.1346","","","","","","1.04","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207634","20.3","0.004","20.143","0.004","8.147","0.0016","90","","109.71","0.03","90","","3136.2","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","","- C26 H38 N2 O9 Pb2 -","- C26 H36 N2 O9 Pb2 -","- C104 H144 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0382","0.0376","","","0.0938","0.0946","","","","","","1.072","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207635","9.4455","0.0003","7.8767","0.0002","17.2532","0.0005","90","","98.352","0.002","90","","1270.01","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil methylparaben","","","- C30 H27 N3 O7 -","- C30 H27 N3 O7 -","- C60 H54 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0393","0.0349","","","0.0864","0.0888","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207636","9.3357","0.0002","8.3056","0.0002","17.3542","0.0005","90","","90.854","0.002","90","","1345.47","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil propylparaben","","","- C32 H31 N3 O7 -","- C32 H31 N3 O7 -","- C64 H62 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0478","0.041","","","0.0963","0.1002","","","","","","1.035","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207637","9.5476","0.0012","8.1881","0.001","16.673","0.002","90","","96.305","0.009","90","","1295.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil hydrocinnamic acid","","","- C31 H29 N3 O6 -","- C31 H29 N3 O6 -","- C62 H58 N6 O12 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0514","0.042","","","0.0957","0.1007","","","","","","0.98","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207638","24.189","0.003","9.4989","0.001","17.9964","0.0019","90","","126.011","0.001","90","","3344.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O5 Zn -","- C18 H15 N2 O5 Zn -","- C144 H120 N16 O40 Zn8 -","8","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0349","0.0261","","","0.0608","0.0651","","","","","","1.041","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207639","8.6436","0.0016","14.894","0.003","17.462","0.003","90","","90","","90","","2248","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C84 H96 N16 O20 Zn4 -","4","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0785","0.0441","","","0.0906","0.1064","","","","","","1.043","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207640","8.3071","0.001","8.3924","0.0011","10.1349","0.0013","99.445","0.001","101.382","0.001","106.488","0.001","645.73","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N2 O5 Zn -","- C13 H11 N2 O5 Zn -","- C26 H22 N4 O10 Zn2 -","2","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0266","0.0235","","","0.0564","0.0578","","","","","","1.05","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207641","10.132","0.0017","10.4262","0.0017","11.8021","0.0019","72.703","0.002","82.516","0.002","64.173","0.002","1071.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 N12 O11 Zn2 -","- C42 H38 N12 O11 Zn2 -","- C42 H38 N12 O11 Zn2 -","1","0.5","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0603","0.0442","","","0.1136","0.1229","","","","","","1.07","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207642","10.203","0.005","14.382","0.008","14.783","0.008","89.622","0.007","77.435","0.007","87.157","0.007","2114.7","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N8 O10 Zn2 -","- C46 H40 N8 O10 Zn2 -","- C92 H80 N16 O20 Zn4 -","2","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.1845","0.1035","","","0.2352","0.2821","","","","","","1.013","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207643","8.0419","0.0003","8.3021","0.0004","14.7143","0.0007","92.045","0.004","97.07","0.003","95.305","0.003","969.65","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Ag4 N6 O9 -","- C14 H14 Ag4 N6 O9 -","- C28 H28 Ag8 N12 O18 -","2","1","","Yeşilel, Okan Zafer; Günay, Güneş; Darcan, Cihan; Soylu, Mustafa Serkan; Keskin, Seda; Ng, Seik Weng","An unusual 3D metal‒organic framework, {[Ag4(μ4-pzdc)2(μ-en)2]·H2O}n: C‒H⋯Ag, N‒H⋯Ag and (O‒H)⋯Ag interactions and an unprecedented coordination mode for pyrazine-2,3-dicarboxylate","CrystEngComm","2012","14","8","2817","","10.1039/c2ce06603c","","","0.71073","MoKα","","0.0286","0.0251","","","0.0753","0.0782","","","","","","1.126","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207644","23.9938","0.0005","7.2021","0.0002","14.5155","0.0003","90","","90","","90","","2508.36","0.1","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C10 H30 Cu N26 O2 -","- C10 H30 Cu N26 O2 -","- C40 H120 Cu4 N104 O8 -","4","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.045","0.0317","","","0.0813","0.0908","","","","","","0.831","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207645","11.9182","0.0003","7.2555","0.0002","14.557","0.0004","90","","98.464","0.002","90","","1245.07","0.06","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H28 N26 Ni O2 -","- C10 H28 N26 Ni O2 -","- C20 H56 N52 Ni2 O4 -","2","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0348","0.0302","","","0.0802","0.0832","","","","","","1.074","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207646","7.9461","0.0006","8.2084","0.0006","12.887","0.001","77.665","0.005","74.131","0.004","71.317","0.004","758.55","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cu N14 O2 -","- C6 H18 Cu N14 O2 -","- C12 H36 Cu2 N28 O4 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0625","0.0447","","","0.1302","0.1416","","","","","","1.078","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207647","7.0326","0.0002","8.4673","0.0003","12.2837","0.0004","103.133","0.001","98.02","0.001","105.275","0.001","671.51","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu N14 -","- C6 H16 Cu N14 -","- C12 H32 Cu2 N28 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0359","0.0304","","","0.0986","0.1031","","","","","","1.108","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207648","9.6939","0.001","14.8594","0.0015","16.3712","0.0016","106.433","0.005","105.99","0.005","102.997","0.004","2053.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H54 Co2 N42 O3 -","- C18 H54 Co2 N42 O3 -","- C36 H108 Co4 N84 O6 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0326","0.0273","","","0.072","0.0759","","","","","","1.037","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207649","6.2611","0.0013","6.4887","0.0013","12.483","0.003","90","","90","","90","","507.14","0.19","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H12 Ag N5 S -","- C7 H12 Ag N5 S -","- C14 H24 Ag2 N10 S2 -","2","0.5","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.019","0.019","","","0.0534","0.0534","","","","","","1.139","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207650","10.505","0.002","7.7023","0.0015","16.84","0.003","90","","95","0.03","90","","1357.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Ag2 N6 S2 -","- C8 H12 Ag2 N6 S2 -","- C32 H48 Ag8 N24 S8 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0253","0.0241","","","0.0681","0.069","","","","","","1.149","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207651","6.3439","0.0013","14.097","0.003","7.3832","0.0015","90","","97.69","0.03","90","","654.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H6 Ag N3 S -","- C4 H6 Ag N3 S -","- C16 H24 Ag4 N12 S4 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0222","0.0212","","","0.0544","0.055","","","","","","1.116","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207652","45.797","0.002","5.4342","0.0003","17.5936","0.0009","90","","102.16","0.003","90","","4280.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 K N2 O8 S -","- C17 H25 K N2 O8 S -","- C136 H200 K8 N16 O64 S8 -","8","1","","Ong, Winston; Cheung, Eugene Y.; Schultz, Karen A.; Smith, Cartney; Bourassa, James; Hickey, Magali B.","Sodium and potassium salts of bumetanide trihydrate: Impact of counterion on structure, aqueous solubility and dehydration kinetics","CrystEngComm","2012","14","7","2428","","10.1039/c2ce06631a","","","0.71073","MoKα","","0.0477","0.036","","0.0788","0.0697","0.0788","","","","","","1.0355","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207653","11.7361","0.0006","11.1568","0.0009","10.1886","0.0006","90","","110.205","0.006","90","","1251.97","0.15","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1233","0.088","","","0.1612","0.174","","","","","","1.056","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207654","16.7545","0.0015","9.866","0.0008","7.1799","0.0005","90","","90","","90","","1186.84","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","0.71073","MoKα","","0.078","0.0563","","","0.1149","0.1243","","","","","","1.05","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207655","14.5136","0.001","6.8344","0.0003","12.4979","0.0006","90","","104.762","0.006","90","","1198.77","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1035","0.064","","","0.126","0.1332","","","","","","1.106","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207656","12.6733","0.0011","20.6887","0.0019","10.2529","0.0007","90","","118.458","0.009","90","","2363.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","co-crystal phenobarbital + nembutal","","","- C23 H30 N4 O6 -","- C23 H24.94 N4 O6 -","- C92 H99.76 N16 O24 -","4","0.5","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1182","0.1026","","","0.1762","0.1813","","","","","","1.092","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207657","11.8675","0.001","21.824","0.003","10.2201","0.0009","90","","110.476","0.009","90","","2479.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nembutal, pentobarbital","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C88 H144 N16 O24 -","8","2","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1538","0.0874","","","0.1315","0.1469","","","","","","1.078","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207658","14.583","0.002","27.006","0.004","23.412","0.004","90","","107.795","0.01","90","","8779","2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C92 H128 O15 -","- C92 H128 O15 -","- C368 H512 O60 -","4","1","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo","Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding","CrystEngComm","2012","14","8","2621","","10.1039/c2ce06719f","","","0.71073","MoKα","","0.0731","0.0414","","","0.0973","0.107","","","","","","0.958","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207659","14.553","0.004","21.508","0.003","31.576","0.008","91.43","0.02","100.11","0.02","90.91","0.02","9725","4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H132 I3 N O15 -","- C89 H132 I3.00015 N O15 -","- C356 H528 I12.0006 N4 O60 -","4","2","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo","Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding","CrystEngComm","2012","14","8","2621","","10.1039/c2ce06719f","","","0.71073","MoKα","","0.0985","0.0527","","","0.1249","0.1482","","","","","","1.009","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207660","8.1283","0.0005","13.8659","0.0007","14.9447","0.0008","90","","97.473","0.003","90","","1670.05","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Caffeine:2-iodo-4nitroaniline","","","- C14 H15 I N6 O4 -","- C14 H15 I N6 O4 -","- C56 H60 I4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0608","0.0443","","","0.1015","0.1111","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207661","8.0323","0.0005","13.7265","0.0008","15.3774","0.0009","90","","93.548","0.001","90","","1692.19","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:4-iodo-3nitroaniline","","","- C14 H15 I N6 O4 -","- C14 H15 I N6 O4 -","- C56 H60 I4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0312","0.0256","","","0.0649","0.0687","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207662","7.795","0.0006","13.5627","0.0009","14.992","0.001","90","","95.657","0.001","90","","1577.25","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:4-chloro-3nitroaniline","","","- C14 H15 Cl N6 O4 -","- C14 H15 Cl N6 O4 -","- C56 H60 Cl4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0355","0.033","","","0.0936","0.0969","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207663","15.8624","0.0019","13.5643","0.0015","7.336","0.0009","90","","90","","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Caffeine:4-fluoro-3nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0568","0.0429","","","0.1106","0.1212","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207664","13.585","0.0006","13.9085","0.0006","17.5266","0.0008","90","","104.892","0.001","90","","3200.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-chloro-5nitroaniline","","","- C14 H15 Cl N6 O4 -","- C14 H15 Cl N6 O4 -","- C112 H120 Cl8 N48 O32 -","8","2","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0335","0.0298","","","0.0805","0.0834","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207665","10.5157","0.0007","10.7574","0.0007","13.6464","0.001","90","","100.179","0.001","90","","1519.41","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Caffeine:4nitroaniline","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C56 H64 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0474","0.0401","","","0.1192","0.1286","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207666","8.5624","0.0004","11.8197","0.0006","18.7587","0.001","88.269","0.001","77.089","0.001","72.212","0.001","1760.53","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Caffeine:2,4dinitrobenzoicacid","","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C60 H56 N24 O32 -","4","2","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0714","0.0558","","","0.1464","0.1665","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207667","5.8784","0.0005","33.258","0.003","8.0008","0.0007","90","","92.806","0.002","90","","1562.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-fluoro-5nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0673","0.0588","","","0.1406","0.1458","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207668","12.5652","0.0006","8.1475","0.0004","16.5266","0.0008","90","","93.688","0.002","90","","1688.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-fluoro-5-nitrobenzoicacid","","","- C15 H14 F N5 O6 -","- C15 H14 F N5 O6 -","- C60 H56 F4 N20 O24 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0582","0.0457","","","0.1274","0.1417","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207669","10.416","0.002","11.022","0.002","11.536","0.002","114.31","0.03","92.94","0.03","115.71","0.03","1044","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Co2(biphen)2(py)4).2EtOH","","","- C48 H48 Co2 N4 O6 -","- C48 H48 Co2 N4 O6 -","- C48 H48 Co2 N4 O6 -","1","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.0388","0.0347","","","0.0846","0.0875","","","","","","1.042","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207670","11.119","0.002","12.486","0.003","13.342","0.003","111.49","0.03","113.74","0.03","95.46","0.03","1512.3","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","?[Co2(Biphen)2(3-pic)4].2(BiphenH2)","","","- C72 H64 Co2 N4 O8 -","- C72 H64 Co2 N4 O8 -","- C72 H64 Co2 N4 O8 -","1","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.0489","0.0337","","","0.0767","0.0811","","","","","","1.018","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207671","12.7876","0.0005","19.4297","0.0007","20.1892","0.0008","90","","103.649","0.004","90","","4874.5","0.3","149.9","","149.9","","","","","","","","Leigh F. Jones","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H87 Co8 N9 O18 -","- C104 H87 Co8 N9 O18 -","- C208 H174 Co16 N18 O36 -","2","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1285","0.0698","","0.0331","0.0232","0.0232","","","","","","1.1163","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207672","10.572","0.002","13.755","0.003","15.127","0.003","90","","94.03","0.03","90","","2194.3","0.8","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","(Co(L1H)(L2)2(NO3)).(L1H2)","","","- C50 H47 Co N5 O7 -","- C50 H47 Co N5 O7 -","- C100 H94 Co2 N10 O14 -","2","1","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1213","0.0736","","","0.1271","0.1542","","","","","","1.028","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207673","10.1508","0.0006","14.8829","0.0007","18.3001","0.0009","90","","101.469","0.005","90","","2709.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(biphenH)(t-bpe)1.5(NO3)]","","","- C60 H42 Co2 N8 O10 -","- C60 H42 Co2 N8 O10 -","- C120 H84 Co4 N16 O20 -","2","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1204","0.0695","","","0.1676","0.2023","","","","","","1.061","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207674","7.2188","0.0014","8.5282","0.0017","13.827","0.003","90.33","0.03","101.29","0.03","107.57","0.03","793.9","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","MOnohydrate of caffeine-4HBA (1:1)","MOnohydrate of caffeine-4HBA (1:1)","","- C15 H18 N4 O6 -","- C15 H18 N4 O6 -","- C30 H36 N8 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals","CrystEngComm","2012","14","7","2381","","10.1039/c2ce25080b","","","0.71073","MoKα","","0.0658","0.0581","","","0.13","0.1365","","","","","","1.139","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207675","6.4211","0.0013","6.6058","0.0013","16.59","0.003","96.2","0.03","96.76","0.03","90.86","0.03","694.4","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)","Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)","","- C13 H18 N2 O6 -","- C13 H18 N2 O6 -","- C26 H36 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals","CrystEngComm","2012","14","7","2381","","10.1039/c2ce25080b","","","0.71073","MoKα","","0.0445","0.0425","","","0.1102","0.1119","","","","","","1.088","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207676","9.119","0.007","10.382","0.008","15.374","0.011","105.468","0.009","95.318","0.009","100.648","0.01","1363.1","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Cai, Minmin; Gao, Zhiqiang; Zhou, Xinhui; Wang, Xupeng; Chen, Shufen; Zhao, Yuezhi; Qian, Yan; Shi, Naien; Mi, Baoxiu; Xie, Linghai; Huang, Wei","A small change in molecular structure, a big difference in the AIEE mechanism.","Physical chemistry chemical physics : PCCP","2012","14","15","5289","5296","10.1039/c2cp23040b","","","0.71073","MoKα","","0.0513","0.0414","","","0.115","0.1219","","","","","","1.063","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207677","7.4253","0.0004","18.6837","0.0011","7.9579","0.0005","90","","96.325","0.006","90","","1097.3","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 B F2 N5 -","- C23 H26 B F2 N5 -","- C46 H52 B2 F4 N10 -","2","1","","Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.","Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad.","Physical chemistry chemical physics : PCCP","2012","14","13","4447","4456","10.1039/c2cp23868c","","","0.71073","MoKα","","0.0896","0.0455","","","0.0973","0.1053","","","","","","0.873","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207678","11.893","0.0003","15.14","0.0003","17.8155","0.0004","90","","93.888","0.002","90","","3200.48","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 B F2 N5 -","- C39 H36 B F2 N5 -","- C156 H144 B4 F8 N20 -","4","1","","Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.","Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad.","Physical chemistry chemical physics : PCCP","2012","14","13","4447","4456","10.1039/c2cp23868c","","","1.54184","CuKα","","0.0505","0.043","","","0.1157","0.1211","","","","","","1.035","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207679","15.67","0.007","8.175","0.01","18.648","0.007","90","","110.21","0.05","90","","2242","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1461","0.0966","","","0.2391","0.2896","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207680","15.409","0.011","8.078","0.007","18.56","0.03","90","","110.54","0.13","90","","2163","5","295","2","295","2","","","250000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1439","0.0966","","","0.2305","0.2682","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207681","15.186","0.019","7.967","0.003","18.57","0.03","90","","111.53","0.18","90","","2090","5","295","2","295","2","","","600000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1389","0.0886","","","0.2014","0.2592","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207682","14.925","0.009","7.861","0.005","18.28","0.02","90","","111.02","0.1","90","","2002","3","295","2","295","2","","","900000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1444","0.1016","","","0.2263","0.2583","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207683","14.849","0.006","7.823","0.004","18.233","0.016","90","","111.47","0.07","90","","1971","2","295","2","295","2","","","1300000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1959","0.1092","","","0.2122","0.2694","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207684","14.8","0.02","7.69","0.02","18.15","0.11","91","0.5","112","0.4","89.4","0.2","1915","14","295","2","295","2","","","1600000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1689","0.118","","","0.2964","0.3419","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207685","10.544","0.003","15.291","0.004","15.387","0.004","64.648","0.003","74.579","0.003","83.447","0.003","2161.2","1","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 N4 O4 -","- C56 H42 N4 O4 -","- C112 H84 N8 O8 -","2","1","","Hatano, Sayaka; Abe, Jiro","A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer.","Physical chemistry chemical physics : PCCP","2012","14","16","5855","5860","10.1039/c2cp40239d","","","0.71073","MoKα","","0.0612","0.0438","","","0.1035","0.1124","","","","","","1.024","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207686","10.462","0.009","10.806","0.009","17.637","0.015","86.158","0.011","74.173","0.013","73.868","0.012","1843","3","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H34 N4 O2 -","- C52 H34 N4 O2 -","- C104 H68 N8 O4 -","2","1","","Hatano, Sayaka; Abe, Jiro","A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer.","Physical chemistry chemical physics : PCCP","2012","14","16","5855","5860","10.1039/c2cp40239d","","","0.71073","MoKα","","0.1479","0.0917","","","0.2496","0.274","","","","","","1.044","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207687","35.463","0.003","35.463","0.003","7.8005","0.0009","90","","90","","120","","8495.8","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H28 N4 O5 Si -","- C15 H28 N4 O5 Si -","- C270 H504 N72 O90 Si18 -","18","1","","Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis","Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane.","Physical chemistry chemical physics : PCCP","2012","14","16","5672","5679","10.1039/c2cp40250e","","x-ray","0.71073","MoKα","","0.3174","0.2631","","","0.6365","0.6768","","","","","","2.928","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207688","35.463","0.003","35.463","0.003","7.8005","0.0009","90","","90","","120","","8495.8","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H28 N4 O5 Si -","- C7 H9 N4 O2 -","- C126 H162 N72 O36 -","18","1","","Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis","Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane.","Physical chemistry chemical physics : PCCP","2012","14","16","5672","5679","10.1039/c2cp40250e","","x-ray","0.71073","MoKα","","0.1664","0.1302","","","0.3633","0.3893","","","","","","1.305","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207689","7.3224","0.0009","10.0224","0.0012","16.631","0.002","102.112","0.005","92.853","0.006","91.309","0.006","1191.2","0.3","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C9 H34 N3 Na2 O18 P -","- C9 H34 N3 Na2 O18 P -","- C18 H68 N6 Na4 O36 P2 -","2","2","","Perras, Frédéric A; Korobkov, Ilia; Bryce, David L.","(23)Na double-rotation NMR of sodium nucleotides leads to the discovery of a new dCMP hendecahydrate.","Physical chemistry chemical physics : PCCP","2012","14","14","4677","4681","10.1039/c2cp40273d","","","0.71073","MoKα","","0.0632","0.0568","","","0.1482","0.1544","","","","","","1.061","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7207690","10.3969","0.0004","10.3969","0.0004","28.4886","0.0015","90","","90","","120","","2666.9","0.2","180","2","180","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H33 N3 -","- C15 H33 N3 -","- C90 H198 N18 -","6","0.333333","","Mercer, Sean M.; Robert, Tobias; Dixon, Daniel V.; Chen, Chien-Shun; Ghoshouni, Zahra; Harjani, Jitendra R.; Jahangiri, Soran; Peslherbe, Gilles H.; Jessop, Philip G.","Design, synthesis, and solution behaviour of small polyamines as switchable water additives","Green Chemistry","2012","14","3","832","","10.1039/c2gc16240g","","","0.71073","MoKα","","0.0636","0.0482","","","0.1314","0.1464","","","","","","1.053","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207691","8.096","0.003","8.432","0.003","14.387","0.006","85.32","0.018","88.539","0.019","62.728","0.01","870","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O3 S -","- C20 H18 N2 O3 S -","- C40 H36 N4 O6 S2 -","2","1","","Wen, Li-Rong; Li, Zhao-Rui; Li, Ming; Cao, Han","Solvent-free and efficient synthesis of imidazo[1,2-a]pyridine derivatives via a one-pot three-component reaction","Green Chemistry","2012","14","3","707","","10.1039/c2gc16388h","","","0.71073","MoKα","","0.0546","0.0496","","","0.1179","0.1218","","","","","","1.095","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207692","10.4","0.001","12.165","0.0015","15.37","0.002","90","","90","","90","","1944.6","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopentane-1,2'(1'<i>H</i>)-pyrido[2,3-<i>d</i>]pyrimidin]- 4'(3'<i>H</i>)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71075","MoKα","","0.0427","0.0395","","","0.0999","0.1026","","","","","","1.049","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207693","10.591","0.003","12.359","0.003","9.116","0.003","90","","97.951","0.004","90","","1181.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br N3 O -","- C12 H14 Br N3 O -","- C48 H56 Br4 N12 O4 -","4","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71073","MoKα","","0.0555","0.0345","","","0.0685","0.0739","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7207694","8.355","0.002","10.746","0.003","12.843","0.004","98.611","0.002","99.924","0.003","110.707","0.003","1034.3","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 Cl N3 O2 -","- C23 H28 Cl N3 O2 -","- C46 H56 Cl2 N6 O4 -","2","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71073","MoKα","","0.0662","0.0464","","","0.1083","0.116","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7207695","9.8188","0.0002","15.916","0.0003","13.4755","0.0003","90","","100.875","0.002","90","","2068.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Cl N2 O2 -","- C26 H17 Cl N2 O2 -","- C104 H68 Cl4 N8 O8 -","4","1","","Gunasekaran, Pethaiah; Balamurugan, Kamaraj; Sivakumar, Sathiyamoorthi; Perumal, Subbu; Menéndez, J. Carlos; Almansour, Abdulrahman I.","Domino reactions in water: diastereoselective synthesis of densely functionalized indolyldihydrofuran derivatives","Green Chemistry","2012","14","3","750","","10.1039/c2gc16517a","","","0.71073","MoKα","","0.0557","0.0451","","","0.1469","0.1598","","","","","","1.254","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207696","8.715","0.004","11.09","0.004","13.771","0.007","90","","90.303","0.006","90","","1330.9","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Jida, Mouhamad; Soueidan, Olivier-Mohamad; Deprez, Benoit; Laconde, Guillaume; Deprez-Poulain, Rebecca","Racemic and diastereoselective construction of indole alkaloids under solvent- and catalyst-free microwave-assisted Pictet‒Spengler condensation","Green Chemistry","2012","14","4","909","","10.1039/c2gc16596a","","","0.71073","MoKα","","0.113","0.0718","","0.1143","0.0602","0.0447","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207697","11.814","0.0005","21.2181","0.0011","14.6684","0.0006","90","","95.337","0.004","90","","3661","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Br2 N2 O -","- C40 H58 Br2 N2 O -","- C160 H232 Br8 N8 O4 -","4","1","","Doherty, Simon; Knight, Julian G.; Ellison, Jack R.; Weekes, David; Harrington, Ross W.; Hardacre, Christopher; Manyar, Haresh","An efficient recyclable peroxometalate-based polymer-immobilised ionic liquid phase (PIILP) catalyst for hydrogen peroxide-mediated oxidation","Green Chemistry","2012","14","4","925","","10.1039/c2gc16679h","","","0.71073","MoKα","","0.1057","0.0619","","","0.1392","0.1671","","","","","","1.025","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207698","8.9454","0.0007","9.0406","0.0007","12.7473","0.001","90","","90","","90","","1030.9","0.14","223","2","223","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- H4 Li O7 P V -","- H4 Li O7 P V -","- H32 Li8 O56 P8 V8 -","8","","","Shahul Hameed, A.; Nagarathinam, Mangayarkarasi; Reddy, M. V.; Chowdari, B. V. R.; Vittal, Jagadese J.","Synthesis and electrochemical studies of layer-structured metastable αI-LiVOPO4","Journal of Materials Chemistry","2012","22","15","7206","","10.1039/c2jm00062h","","","0.71073","MoKα","","0.0252","0.025","","","0.0679","0.0681","","","","","","1.175","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207699","9.759","0.004","16.442","0.007","12.446","0.005","90","","110.435","0.011","90","","1871.4","1.3","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","Choline BScB","2-hydroxy-N,N,N-trimethylethanaminium 4,4'-dioxo-4H, 4'H-2,2'-spirobi[benzo[d][1,3,2]dioxaborinin]-2-uide","","- C38 H30 B2 N2 O14 -","- C38 H30 B2 N2 O14 -","- C76 H60 B4 N4 O28 -","2","1","","Shah, Faiz Ullah; Glavatskih, Sergei; Dean, Pamela M.; MacFarlane, Douglas R.; Forsyth, Maria; Antzutkin, Oleg N.","Halogen-free chelated orthoborate ionic liquids and organic ionic plastic crystals","Journal of Materials Chemistry","2012","22","14","6928","","10.1039/c2jm12657e","","","0.71073","MoKα","","0.1708","0.0741","","","0.178","0.2325","","","","","","0.968","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207700","12.6085","0.0012","13.1762","0.0013","17.001","0.0016","84.885","0.002","85.729","0.002","82.363","0.002","2782.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H46 Cl3 Ir N6 S3 -","- C64 H46 Cl3 Ir N6 S3 -","- C128 H92 Cl6 Ir2 N12 S6 -","2","1","","Yang, Xiaolong; Zhao, Yongbiao; Zhang, Xinwen; Li, Rui; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Ma, Dongge; Wong, Wai-Yeung; Zhao, Xiang; Ren, Aimin; Wang, Lixiang; Hou, Xun","Thiazole-based metallophosphors of iridium with balanced carrier injection/transporting features and their two-colour WOLEDs fabricated by both vacuum deposition and solution processing-vacuum deposition hybrid strategy","Journal of Materials Chemistry","2012","22","15","7136","","10.1039/c2jm14712b","","","0.71073","MoKα","","0.0726","0.0474","","","0.1129","0.1259","","","","","","1.008","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207701","23.61","0.01","28.05","0.01","32","0.01","67.835","0.003","70.115","0.003","68.953","0.003","17796","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H117 N8 O51 S4 -","- C216 H117 N8 O51 S4 -","- C432 H234 N16 O102 S8 -","2","1","","Hammond, Scott R.; Sinness, Jessica; Dubbury, Sara; Firestone, Kimberly A.; Benedict, Jason B.; Wawrzak, Zdzislaw; Clot, Olivier; Reid, Philip J.; Dalton, Larry R.","Molecular engineering of nanoscale order in organic electro-optic glasses","Journal of Materials Chemistry","2012","22","14","6752","","10.1039/c2jm14915j","","","0.71","synchrotron","","0.2022","0.1849","","","0.4721","0.4991","","","","","","2.169","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207702","10.411","0.0014","17.316","0.002","24.493","0.003","90","","97.918","0.002","90","","4373.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Li4 N4 O4 -","- C52 H40 Li4 N4 O4 -","- C208 H160 Li16 N16 O16 -","4","1","","Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Chan, Y. F.; Arkley, Vincent; Ganeshamurugan, Subramanium; Kumaraverl, Muttulingham; Paramswara, Gnanamoly; Partheepan, Arumugam; Reddy, Vanga R.; Bailey, Daniel; Blake, Alexander J.","Novel lithium Schiff-base cluster complexes as electron injectors: synthesis, crystal structure, thin film characterisation and their performance in OLEDs","Journal of Materials Chemistry","2012","22","13","6104","","10.1039/c2jm15114f","","","0.71073","MoKα","","0.0632","0.0349","","","0.0755","0.0861","","","","","","0.99","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207703","9.5021","0.0008","18.5086","0.0015","24.385","0.002","90","","90","","90","","4288.6","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H60 Si2 -","- C52 H60 Si2 -","- C208 H240 Si8 -","4","1","","Zhang, Jingjing; Sarrafpour, Syena; Haas, Terry E.; Müller, Peter; Thomas, Samuel W.","Structure, photophysics, and photooxidation of crowded diethynyltetracenes","Journal of Materials Chemistry","2012","22","13","6182","","10.1039/c2jm16173g","","","0.71073","MoKα","","0.046","0.0364","","","0.0831","0.0889","","","","","","1.036","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207704","7.0225","0.0015","11.456","0.003","22.004","0.006","101.509","0.007","96.474","0.007","104.936","0.005","1650.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H32 O2 -","- C48 H32 O2 -","- C96 H64 O4 -","2","1","","Zhang, Jingjing; Sarrafpour, Syena; Haas, Terry E.; Müller, Peter; Thomas, Samuel W.","Structure, photophysics, and photooxidation of crowded diethynyltetracenes","Journal of Materials Chemistry","2012","22","13","6182","","10.1039/c2jm16173g","","","0.71073","MoKα","","0.0977","0.0551","","","0.131","0.1535","","","","","","1.023","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207705","16.5126","0.0007","16.5126","0.0007","24.5098","0.0014","90","","90","","120","","5787.6","0.5","293","2","293","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 Ce O7 -","- C27 H15 Ce O6 -","- C162 H90 Ce6 O36 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Liang, Jie; Xia, Wei; Xia, Dingguo; Wang, Yingxia; Lin, Jianhua; Hu, Tongliang; Chen, Qiang; Wang, Xidong; Zhao, Yusheng; Burrell, Anthony K.","Pore size-controlled gases and alcohols separation within ultramicroporous homochiral lanthanide‒organic frameworks","Journal of Materials Chemistry","2012","22","16","7813","","10.1039/c2jm16324a","","","0.71073","MoKα","","0.0652","0.0553","","","0.1479","0.1528","","","","","","1.065","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207706","16.5126","0.0007","16.5126","0.0007","24.5098","0.0014","90","","90","","120","","5787.6","0.5","293","2","293","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 Ce O7 -","- C27 H15 Ce O7 -","- C162 H90 Ce6 O42 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Liang, Jie; Xia, Wei; Xia, Dingguo; Wang, Yingxia; Lin, Jianhua; Hu, Tongliang; Chen, Qiang; Wang, Xidong; Zhao, Yusheng; Burrell, Anthony K.","Pore size-controlled gases and alcohols separation within ultramicroporous homochiral lanthanide‒organic frameworks","Journal of Materials Chemistry","2012","22","16","7813","","10.1039/c2jm16324a","","","0.71073","MoKα","","0.0794","0.0659","","","0.2041","0.2175","","","","","","1.142","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207707","10.0693","0.0015","8.4668","0.0008","10.377","0.003","90","","118.938","0.007","90","","774.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 K O9 S2 Sm -","- H2 K O9 S2 Sm -","- H8 K4 O36 S8 Sm4 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0219","0.021","","","0.0542","0.0548","","","","","","1.078","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207708","10.084","0.01","8.429","0.008","10.363","0.015","90","","119.023","0.016","90","","770.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 Eu K O9 S2 -","- Eu H2 K O9 S2 -","- Eu4 H8 K4 O36 S8 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.041","0.0375","","","0.0858","0.0871","","","","","","1.021","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207709","10.129","0.005","8.391","0.003","10.357","0.007","90","","119.152","0.006","90","","768.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 Gd K N0 O9 S2 -","- Gd H2 K O9 S2 -","- Gd4 H8 K4 O36 S8 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0237","0.0225","","","0.0569","0.0577","","","","","","1.128","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207710","10.128","0.003","8.3268","0.0011","10.344","0.005","90","","119.305","0.016","90","","760.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 K O9 S2 Tb -","- H2 K O9 S2 Tb -","- H8 K4 O36 S8 Tb4 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0197","0.0189","","","0.047","0.0474","","","","","","1.124","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207711","10.107","0.004","8.29","0.003","10.306","0.005","90","","119.318","0.003","90","","752.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 Dy K O9 S2 -","- Dy H2 K O9 S2 -","- Dy4 H8 K4 O36 S8 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0195","0.0188","","","0.048","0.0482","","","","","","1.26","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207712","10.079","0.004","8.257","0.003","10.28","0.005","90","","119.285","0.005","90","","746.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H2 Ho K O9 S2 -","- H2 Ho K O9 S2 -","- H8 Ho4 K4 O36 S8 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0289","0.0243","","","0.0904","0.1338","","","","","","0.801","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207713","10.0682","0.0012","8.2344","0.0008","10.2663","0.0012","90","","119.382","0.01","90","","741.65","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Er4 H8 K4 O36 S8 -","- Er4 H8 K4 O36 S8 -","- Er4 H8 K4 O36 S8 -","1","0.25","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0343","0.0341","","","0.0896","0.0896","","","","","","1.245","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207714","23.169","0.0014","8.6022","0.0005","8.0337","0.0005","90","","90","","90","","1601.15","0.17","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E)-2-(5-(nitroimino)-4,5-dihydro-1H-tetrazol-1-yl)acetic acid hydrate","","- C3 H6 N6 O5 -","- C3 H6 N6 O5 -","- C24 H48 N48 O40 -","8","1","","Joo, Young-Hyuk; Gao, Haixiang; Parrish, Damon A.; Cho, Soo Gyeong; Goh, Eun Mee; Shreeve, Jean'ne M.","Energetic salts based on nitroiminotetrazole-containing acetic acid","Journal of Materials Chemistry","2012","22","13","6123","","10.1039/c2jm30322a","","","0.71073","MoKα","","0.036","0.0332","","","0.0927","0.0954","","","","","","1.032","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207715","12.4884","0.0007","5.0947","0.0003","17.4942","0.001","90","","99.941","0.001","90","","1096.35","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-tetrazol-1-yl)acetic acid","","- C3 H4 N4 O2 -","- C3 H4 N4 O2 -","- C24 H32 N32 O16 -","8","2","","Joo, Young-Hyuk; Gao, Haixiang; Parrish, Damon A.; Cho, Soo Gyeong; Goh, Eun Mee; Shreeve, Jean'ne M.","Energetic salts based on nitroiminotetrazole-containing acetic acid","Journal of Materials Chemistry","2012","22","13","6123","","10.1039/c2jm30322a","","","0.71073","MoKα","","0.0416","0.0332","","","0.0835","0.0891","","","","","","1.032","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207716","5.4438","0.0008","16.02","0.002","17.071","0.003","90","","92.374","0.002","90","","1487.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(4-amino-4H-1,2,4-triazol-1-ium) ((E)-4-(carboxylatomethyl)-5- (nitroimino)-4,5-dihydrotetrazol-1-ide)","","- C7 H12 N14 O4 -","- C7 H12 N14 O4 -","- C28 H48 N56 O16 -","4","1","","Joo, Young-Hyuk; Gao, Haixiang; Parrish, Damon A.; Cho, Soo Gyeong; Goh, Eun Mee; Shreeve, Jean'ne M.","Energetic salts based on nitroiminotetrazole-containing acetic acid","Journal of Materials Chemistry","2012","22","13","6123","","10.1039/c2jm30322a","","","0.71073","MoKα","","0.0486","0.0354","","","0.089","0.0968","","","","","","1.051","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207717","4.12","0.03","11.09","0.11","52.8","0.6","90","","90","","90","","2412","4","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","_C6-DBTDT","_C6-DBTDT","","- C28 H32 S3 -","- C28 H32 S3 -","- C112 H128 S12 -","4","0.5","","Miyata, Yasuo; Yoshikawa, Eiji; Minari, Takeo; Tsukagoshi, Kazuhito; Yamaguchi, Shigehiro","High-performance organic field-effect transistors based on dihexyl-substituted dibenzo[d,d′]thieno[3,2-b;4,5-b′]dithiophene","Journal of Materials Chemistry","2012","22","16","7715","","10.1039/c2jm30840a","","","0.7107","MoKα","","0.1328","0.1186","","","0.3177","0.3325","","","","","","1.519","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207718","6.7907","0.0003","39.3289","0.0018","15.507","0.0007","90","","97.857","0.002","90","","4102.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H54 Ag2 B36 Co2 N2 -","- C15 H54 Ag2 B36 Co2 N2 -","- C60 H216 Ag8 B144 Co8 N8 -","4","1","","Cunha-Silva, Luís; Hardie, Michaele J.","Exploring Ag⋯H‒B interactions in coordination polymers: silver‒alkanedinitrile networks with cobalt carbaborane anions","CrystEngComm","2012","14","10","3367","","10.1039/c2ce00003b","","","0.71073","MoKα","","0.0361","0.0273","","","0.0749","0.0868","","","","","","1.128","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207719","36.846","0.007","12.174","0.002","30.395","0.006","90","","102.93","0.03","90","","13288","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H90 Ag3 B54 Co3 N4 -","- C28 H90 Ag3 B54 Co3 N4 -","- C224 H720 Ag24 B432 Co24 N32 -","8","1","","Cunha-Silva, Luís; Hardie, Michaele J.","Exploring Ag⋯H‒B interactions in coordination polymers: silver‒alkanedinitrile networks with cobalt carbaborane anions","CrystEngComm","2012","14","10","3367","","10.1039/c2ce00003b","","","0.71073","MoKα","","0.0741","0.0491","","","0.1285","0.1451","","","","","","1.051","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207720","13.8493","0.0011","13.9797","0.001","15.3847","0.0012","91.493","0.006","110.928","0.007","109.633","0.007","2584","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)} dimethylformamide solvate","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)} dimethylformamide solvate","","- C43 H55 Cd2 N9 O13 -","- C43 H55 Cd2 N9 O13 -","- C86 H110 Cd4 N18 O26 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0519","0.0396","","","0.0947","0.1036","","","","","","1.02","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207721","10.2012","0.0006","10.2797","0.0006","14.2612","0.0007","94.523","0.004","91.481","0.004","115.168","0.006","1346.39","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","catena{(1,2-cyclohexanedione dioxime)-bis((4-pyridylthio)acetate)- zinc(II)} dimethylformamide solvate","catena{(1,2-cyclohexanedione dioxime)-bis((4-pyridylthio)acetate)- zinc(II)} dimethylformamide solvate","","- C23 H29 N5 O7 S2 Zn -","- C23 H29 N5 O7 S2 Zn -","- C46 H58 N10 O14 S4 Zn2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0686","0.0435","","","0.0812","0.0913","","","","","","1.023","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207722","21.709","0.003","6.593","0.0003","15.9532","0.0019","90","","133.85","0.02","90","","1646.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}","catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}","","- C14 H14 Cd N2 O5 S2 -","- C14 H14 Cd N2 O5 S2 -","- C56 H56 Cd4 N8 O20 S8 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0251","0.0228","","","0.0548","0.0558","","","","","","1.096","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207723","8.4248","0.0002","23.3062","0.0005","12.1929","0.0003","90","","93.277","0.002","90","","2390.16","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena{( mu2-4,4^'^-dipyridylsulfide)-(1,2-cyclohexanedionedioxime)- ( di-acetate)-cadmium(II)}","catena{( mu2-4,4^'^-dipyridylsulfide)-(1,2-cyclohexanedionedioxime)- ( di-acetate)-cadmium(II)}","","- C20 H24 Cd N4 O6 S -","- C20 H24 Cd N4 O6 S -","- C80 H96 Cd4 N16 O24 S4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0493","0.0359","","","0.0852","0.0916","","","","","","1.093","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207724","10.9226","0.0003","22.3442","0.0004","17.7664","0.0004","90","","94.19","0.002","90","","4324.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena{( mu2-4,4^'^-dipyridyl sulfide)-(1,2-cyclohexanedione dioxime)- (di-formate)‒cadmium(II)}","catena{( mu2-4,4^'^-dipyridyl sulfide)-(1,2-cyclohexanedione dioxime)- (di-formate)‒cadmium(II)}","","- C18 H20 Cd N4 O6 S -","- C18 H20 Cd N4 O6 S -","- C144 H160 Cd8 N32 O48 S8 -","8","2","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0652","0.0401","","","0.0848","0.0944","","","","","","1.073","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207725","8.1727","0.0002","22.8786","0.0004","12.0939","0.0002","90","","92.5","0.002","90","","2259.16","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena{( mu2-4,4^'^- dipyridylsulfide)-(1,2-cyclohexanedionedioxime) -(di-acetate)-zinc(II)}","catena{( mu2-4,4^'^- dipyridylsulfide)-(1,2-cyclohexanedionedioxime) -(di-acetate)-zinc(II)}","","- C20 H24 N4 O6 S Zn -","- C20 H24 N4 O6 S Zn -","- C80 H96 N16 O24 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.039","0.0299","","","0.0745","0.0794","","","","","","1.011","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207726","13.924","0.004","14.118","0.003","14.651","0.004","104.3","0.02","116.29","0.03","102.62","0.02","2317.1","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)}","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)}","","- C40 H48 Cd2 N8 O12 -","- C40 H48 Cd2 N8 O12 -","- C80 H96 Cd4 N16 O24 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.308","0.1424","","","0.204","0.2986","","","","","","1.01","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207727","7.8595","0.0007","8.8017","0.0007","9.0249","0.0008","100.43","0.007","93.113","0.007","92.86","0.007","611.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4,4^'^-bipyrydine ethane bis(1,2-cyclohexanedionedioxime) clathrate","4,4^'^-bipyrydine ethane bis(1,2-cyclohexanedionedioxime) clathrate","","- C24 H32 N6 O4 -","- C24 H32 N6 O4 -","- C24 H32 N6 O4 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.1191","0.0581","","","0.1022","0.1271","","","","","","1.046","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207728","5.575","0.003","14.42","0.007","11.901","0.006","90","","103.109","0.008","90","","931.8","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 I2 N O -","- C5 H7 I2 N O -","- C20 H28 I8 N4 O4 -","4","1","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0408","0.0304","","","0.0785","0.0864","","","","","","1.031","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207729","4.2383","0.0006","7.3655","0.001","7.8486","0.001","113.047","0.004","99.614","0.004","93.365","0.004","220.2","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 I2 N2 -","- C6 H4 I2 N2 -","- C6 H4 I2 N2 -","1","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0408","0.0401","","","0.13","0.1307","","","","","","1.234","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207730","6.5418","0.0002","8.2834","0.0003","10.337","0.0003","90","","101.233","0.002","90","","549.41","0.03","120","","120","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H12 I2 N2 -","- C8 H12 I2 N2 -","- C16 H24 I4 N4 -","2","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0268","0.0184","","","0.039","0.0433","","","","","","1.033","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207731","15.9274","0.0007","11.0145","0.0004","8.7574","0.0004","90","","92.8","0.002","90","","1534.5","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 I4 N4 -","- C8 H12 I4 N4 -","- C32 H48 I16 N16 -","4","1","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0632","0.0491","","","0.09","0.0952","","","","","","1.191","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207732","7.7843","0.0016","12.857","0.003","13.002","0.003","113.73","0.03","106.34","0.03","92.43","0.03","1125.1","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 O14 -","- C12 H20 N14 O14 -","- C24 H40 N28 O28 -","2","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.6889","Synchrotron","","0.0645","0.062","","0.1639","0.1601","0.1639","","","","","","1.025","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207733","10.3061","0.0003","10.7691","0.0003","14.5298","0.0004","73.897","0.002","89.527","0.002","85.057","0.002","1543.38","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane: 1,4-dioxane (1:4) Co-crystal","","- C10 H17 N6 O9.5 -","- C10 H17 N6 O9.5 -","- C40 H68 N24 O38 -","4","2","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0738","0.071","","0.1526","0.1482","0.1526","","","","","","0.9917","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207734","15.7503","0.0009","20.5096","0.0013","23.2073","0.0013","90","","90.092","0.002","90","","7496.7","0.8","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane:","","- C13.33 H15.67 N16 O18.67 -","- C13.3333 H15.6667 N16 O18.6667 -","- C160 H188 N192 O224 -","12","3","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0627","0.0535","","0.1336","0.1264","0.1336","","","","","","0.9669","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207735","18.893","0.0003","12.07295","0.00013","21.8241","0.0004","90","","114.977","0.002","90","","4512.4","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6,8,10,12-hexanitrohexaazisowurtzitane:","","","- C24 H60 N21 O15 P3 -","- C24 H60 N21 O15 P3 -","- C96 H240 N84 O60 P12 -","4","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","1.5418","CuKα","","0.0535","0.0456","","0.137","0.1329","0.137","","","","","","1.0187","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207736","20.059","0.003","3.685","0.0004","21.004","0.003","90","","104.424","0.015","90","","1503.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C84 H48 O24 -","6","1.5","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","0.71073","MoKα","","0.1336","0.0696","","","0.1763","0.2013","","","","","","0.851","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207737","8.1319","0.0004","3.7102","0.0002","16.8711","0.0009","90","","100.455","0.005","90","","500.57","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C28 H16 O8 -","2","1","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","1.54178","CuKα","","0.06","0.0421","","","0.1026","0.1082","","","","","","0.966","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207738","33.6613","0.0018","9.1498","0.0005","13.0273","0.0007","90","","92.129","0.001","90","","4009.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Er3 N8 O24 -","- C29 H37 Er3 N8 O24 -","- C116 H148 Er12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0297","0.0273","","","0.0958","0.0978","","","","","","1","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207739","33.69","0.02","9.217","0.006","13.134","0.009","90","","92.256","0.007","90","","4075","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Ho3 N8 O24 -","- C29 H37 Ho3 N8 O24 -","- C116 H148 Ho12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0308","0.0248","","","0.0547","0.0574","","","","","","1.01","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207740","33.765","0.003","9.2778","0.0009","13.2345","0.0013","90","","92.126","0.001","90","","4143.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 N8 O24 Sm3 -","- C29 H37 N8 O24 Sm3 -","- C116 H148 N32 O96 Sm12 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0228","0.022","","","0.0631","0.0636","","","","","","1.088","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207741","33.699","0.003","9.1979","0.0008","13.104","0.0012","90","","92.117","0.001","90","","4058.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Dy3 N8 O24 -","- C29 H37 Dy3 N8 O24 -","- C116 H148 Dy12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0249","0.0236","","","0.0688","0.0696","","","","","","1.091","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207742","12.1992","0.0003","15.719","0.0005","25.8536","0.0008","90","","90","","90","","4957.7","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H22 N4 Ni2 O11 -","- C20 H27 N4 Ni2 O11 -","- C160 H216 N32 Ni16 O88 -","8","0.5","","Guo, Sheng-Qi; Tian, Dan; Zheng, Xiang; Zhang, Hong","A rare 4-connected neb topological metal‒organic framework with ferromagnetic characteristics","CrystEngComm","2012","14","9","3177","","10.1039/c2ce06202j","","","0.71073","MoKα","","0.0273","0.0255","","","0.0673","0.0678","","","","","","1.065","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207743","22.9238","0.0017","22.9238","0.0017","22.9238","0.0017","90","","90","","90","","12046.5","1.5","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C36 H62 Fe N3 O19 P6 -","- C36 H60 Fe N3 O19 P6 -","- C288 H480 Fe8 N24 O152 P48 -","8","0.333333","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.1708","0.0678","","","0.166","0.2085","","","","","","0.82","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207744","20.403","0.008","26.51","0.01","30.721","0.004","90","","99.49","0.02","90","","16389","9","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C432 H720 Ag12 Cl12 Fe12 N36 O272 P72 -","4","1","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.3343","0.1041","","","0.1867","0.2684","","","","","","1.018","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207745","14.232","0.0015","14.6531","0.0016","15.1359","0.0018","77.195","0.002","67.084","0.001","65.102","0.001","2630.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 N6 O44 P W12 -","- C21 H29 N6 O44 P W12 -","- C42 H58 N12 O88 P2 W24 -","2","1","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0738","0.0589","","","0.1591","0.1721","","","","","","1.013","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207746","20.303","0.003","20.303","0.003","53.196","0.011","90","","90","","120","","18990","6","298","2","298","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C72 H54 Cu6 N18 O80 P2 W24 -","- C72 H54 Cu6 N18 O80 P2 W24 -","- C432 H324 Cu36 N108 O480 P12 W144 -","6","0.166667","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0744","0.0455","","","0.1163","0.1484","","","","","","1.134","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207747","16.9679","0.0011","18.5233","0.0012","21.4289","0.0015","90","","90","","90","","6735.1","0.8","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H32 Cu3 N10 O41 P W12 -","- C40 H30 Cu3 N10 O41 P W12 -","- C160 H120 Cu12 N40 O164 P4 W48 -","4","0.5","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0559","0.0489","","","0.1374","0.1441","","","","","","1.09","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207748","22.232","0.005","13.209","0.003","11.173","0.003","90","","108.225","0.003","90","","3116.5","1.3","93","2","93","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H28 Cu5 N8 O40.5 P W11 -","- C32 H24 Cu5 N8 O40.5 P W11 -","- C64 H48 Cu10 N16 O81 P2 W22 -","2","0.25","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0655","0.0581","","","0.1354","0.1394","","","","","","1.137","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207749","18.2072","0.0018","25.709","0.002","26.639","0.003","94.661","0.002","106.296","0.002","108.962","0.002","11112.9","1.9","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H148 As4 Ce2 Cu7.5 N28 Na O172 W44 -","- C28 H112 As4 Ce2 Cu7.5 N28 Na O172 W44 -","- C56 H224 As8 Ce4 Cu15 N56 Na2 O344 W88 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1366","0.0684","","","0.148","0.1686","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207750","15.9375","0.0015","18.2356","0.0017","21.056","0.0019","114.312","0.001","90.885","0.002","94.344","0.002","5553.5","0.9","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H110 As4 Cu5 N20 Na6 O168 Pr2 W44 -","- C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44 -","- C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44 -","1","0.5","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.111","0.0813","","","0.1978","0.2123","","","","","","1.065","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7207751","15.868","0.003","18.261","0.004","20.999","0.005","114.59","0.004","91.094","0.004","94.127","0.004","5511","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H106 As4 Cu5 Eu2 N20 Na6 O166 W44 -","- C20 H80 As4 Cu5 Eu2 N20 Na6 O166 W44 -","- C20 H80 As4 Cu5 Eu2 N20 Na6 O166 W44 -","1","0.5","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.158","0.077","","","0.1549","0.1741","","","","","","1.012","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7207752","16.0145","0.0019","18.212","0.002","20.934","0.002","114.347","0.002","90.846","0.002","94.085","0.002","5541.9","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H53 As2 Cu2.5 N10 Na3 O83 Tb W22 -","- C10 H40 As2 Cu2.5 N10 Na3 O83 Tb W22 -","- C20 H80 As4 Cu5 N20 Na6 O166 Tb2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1174","0.085","","","0.2143","0.2347","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207753","13.623","0.005","20.217","0.007","24.846","0.008","102.355","0.005","104.331","0.005","98.656","0.005","6325","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H120 As2 Cu5.5 Dy N22 O83 W22 -","- C33 H110 As2 Cu5.5 Dy N22 O83 W22 -","- C66 H220 As4 Cu11 Dy2 N44 O166 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0642","0.0441","","","0.1084","0.1159","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207754","16.026","0.003","18.284","0.003","21.007","0.003","114.067","0.002","90.834","0.003","94.387","0.003","5596.8","1.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H54 As2 Cu2.5 N10 Na3 Nd O83.5 W22 -","- C10 H40 As2 Cu2.5 N10 Na3 Nd O83.5 W22 -","- C20 H80 As4 Cu5 N20 Na6 Nd2 O167 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1192","0.0876","","","0.2203","0.2383","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207755","16.039","0.004","18.277","0.005","20.982","0.005","114.244","0.004","90.779","0.004","94.123","0.004","5587","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H56 As2 Cu2.5 N10 Na3 O84.5 Sm W22 -","- C10 H40 As2 Cu2.5 N10 Na3 O84.5 Sm W22 -","- C20 H80 As4 Cu5 N20 Na6 O169 Sm2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1003","0.0651","","","0.1565","0.1721","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207756","16.976","0.003","37.375","0.007","19.576","0.003","90","","92.761","0.004","90","","12406","4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H117 As2 Cu5.5 N21 O84 Pr W22 -","- C31.5 H105 As2 Cu5.5 N21 O84 Pr W22 -","- C126 H420 As8 Cu22 N84 O336 Pr4 W88 -","4","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0987","0.0542","","","0.0936","0.1025","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207757","16.955","0.004","37.229","0.008","19.506","0.004","90","","92.767","0.005","90","","12298","5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H117 As2 Cu5.5 Eu N21 O84 W22 -","- C31.5 H105 As2 Cu5.5 Eu N21 O84 W22 -","- C126 H420 As8 Cu22 Eu4 N84 O336 W88 -","4","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1094","0.0534","","","0.1082","0.1212","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207758","13.4927","0.0008","20.0061","0.0012","24.5797","0.0014","102.318","0.001","104.73","0.001","98.677","0.001","6119.7","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H122 As2 Cu5.5 N22 O84 Tb W22 -","- C33 H110 As2 Cu5.5 N22 O84 Tb W22 -","- C66 H220 As4 Cu11 N44 O168 Tb2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0874","0.067","","","0.1629","0.1735","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207759","30.63","0.011","5.8524","0.0019","22.101","0.008","90","","117.912","0.006","90","","3501","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 N3 O6 -","- C14 H25 N3 O6 -","- C112 H200 N24 O48 -","8","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","CdS quantum dots doped with a peptide matrix: structural and photoelectrochemical properties","CrystEngComm","2012","14","9","3156","","10.1039/c2ce06355g","","","0.71073","MoKα","","0.12","0.0631","","","0.1551","0.1874","","","","","","1.003","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207760","14.2705","0.0009","13.3006","0.0008","21.2009","0.0017","90","","108.655","0.003","90","","3812.6","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","CdS quantum dots doped with a peptide matrix: structural and photoelectrochemical properties","CrystEngComm","2012","14","9","3156","","10.1039/c2ce06355g","","","0.71073","MoKα","","0.0838","0.0542","","","0.1514","0.187","","","","","","0.955","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207761","5.3951","0.0004","8.1557","0.0007","11.4412","0.0009","80.447","0.002","84.791","0.002","72.016","0.002","471.77","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl N3 O2 -","- C8 H10 Cl N3 O2 -","- C16 H20 Cl2 N6 O4 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0268","0.0258","","","0.0679","0.0687","","","","","","1.068","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207762","10.3283","0.0008","8.1976","0.0007","12.329","0.0009","90","","114.243","0.003","90","","951.81","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0182","0.0168","","","0.0416","0.042","","","","","","1.049","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207763","11.5624","0.0004","8.3426","0.0004","12.2163","0.0005","90","","116.412","0.002","90","","1055.39","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 B F4 N3 O2 -","- C8 H10 B F4 N3 O2 -","- C32 H40 B4 F16 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0332","0.0309","","","0.0783","0.0805","","","","","","1.075","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207764","5.452","0.0003","6.1264","0.0003","15.5624","0.0008","99.478","0.003","92.657","0.003","99.407","0.003","504.38","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N4 O5 -","- C8 H10 N4 O5 -","- C16 H20 N8 O10 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0382","0.0338","","","0.1044","0.1196","","","","","","1.93","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207765","8.4003","0.0002","8.9153","0.0002","10.3151","0.0003","101.57","0.001","103.452","0.001","111.64","0.001","662.4","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F3 N3 O5 S -","- C9 H10 F3 N3 O5 S -","- C18 H20 F6 N6 O10 S2 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0358","0.0336","","","0.0832","0.0847","","","","","","1.171","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207766","13.247","0.001","11.2054","0.001","15.5055","0.0014","90","","90","","90","","2301.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C64 H80 F48 N24 O16 P8 -","8","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0383","0.029","","","0.0714","0.0775","","","","","","1.053","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207767","9.7596","0.0003","15.686","0.0005","16.853","0.0005","90","","90","","90","","2580.01","0.14","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C128 H120 B4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0425","0.0343","","","0.0862","0.1102","","","","","","1.153","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207768","12.458","0.004","14.423","0.004","33.063","0.011","80.384","0.009","83.877","0.011","79.272","0.009","5737","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H178 Co11 N24 O88 S24 -","- C192 H98 Co11 N24 O88 S24 -","- C192 H98 Co11 N24 O88 S24 -","1","0.5","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.1194","0.087","","","0.2144","0.2466","","","","","","1.041","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207769","8.608","0.002","19.26","0.005","31.701","0.008","103.706","0.003","92.298","0.003","95.323","0.004","5074","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H132 Co4 N24 O58 S24 -","- C192 H112 Co4 N24 O58 S24 -","- C192 H112 Co4 N24 O58 S24 -","1","0.5","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.107","0.0673","","","0.1407","0.1677","","","","","","1.086","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207770","15.839","0.007","7.526","0.003","23.941","0.01","90","","104.584","0.007","90","","2762","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Co N4 O11 S2 -","- C24 H24 Co N4 O11 S2 -","- C96 H96 Co4 N16 O44 S8 -","4","1","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.0822","0.0721","","","0.1256","0.1312","","","","","","1.03","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207771","8.119","0.003","15.259","0.005","15.648","0.005","64.632","0.007","84.144","0.012","80.083","0.011","1724.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H25 Co N5 O8 S3 -","- C34 H23 Co N5 O8 S3 -","- C68 H46 Co2 N10 O16 S6 -","2","1","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.1001","0.0747","","","0.1767","0.1963","","","","","","1.058","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207772","12.3807","0.0011","14.6888","0.0012","21.2276","0.0018","72.558","0.002","77.155","0.001","67.911","0.001","3386.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 La6 N5 O126 P2 W22 -","- C35 H15 La6 N5 O126 P2 W22 -","- C35 H15 La6 N5 O126 P2 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.0618","0.0429","","","0.0972","0.1062","","","","","","1.012","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207773","12.4306","0.0009","14.7656","0.0011","21.276","0.0016","72.562","0.001","77.799","0.001","67.659","0.001","3424.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 Ce6 N5 O130 P2 W22 -","- C35 H15 Ce6 N5 O130 P2 W22 -","- C35 H15 Ce6 N5 O130 P2 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.0337","0.0279","","","0.0646","0.0673","","","","","","1.017","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207774","12.235","0.0019","14.546","0.002","19.853","0.003","109.711","0.002","91.443","0.002","112.699","0.002","3019.1","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 N5 O122 P2 Pr6 W22 -","- C35 H17 N5 O122 P2 Pr6 W22 -","- C35 H17 N5 O122 P2 Pr6 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.137","0.0612","","","0.1216","0.1491","","","","","","1.002","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207775","10.3672","0.0016","21.911","0.003","17.808","0.003","90","","97.316","0.002","90","","4012.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 N12 Ni O16 -","- C27 H42 N12 Ni O16 -","- C108 H168 N48 Ni4 O64 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0758","0.0563","","","0.1752","0.1944","","","","","","1","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207776","10.3859","0.0002","21.9719","0.0003","19.4185","0.0003","90","","114.589","0.001","90","","4029.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H52 N12 Ni O17 -","- C27 H42 N12 Ni O12 -","- C108 H168 N48 Ni4 O48 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0498","0.0378","","","0.1004","0.1056","","","","","","1.049","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207777","10.406","0.009","23.14","0.02","16.882","0.015","90","","94.791","0.013","90","","4051","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H46 N12 Ni O14 -","- C27 H42 N12 Ni O14 -","- C108 H168 N48 Ni4 O56 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.1676","0.1219","","","0.3225","0.355","","","","","","1.166","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207778","39.969","0.0009","10.254","0.0002","20.2422","0.0005","90","","113.171","0.001","90","","7626.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 N12 Ni O15 -","- C28 H44 N12 Ni O12 -","- C224 H352 N96 Ni8 O96 -","8","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0603","0.0452","","","0.1075","0.1135","","","","","","0.991","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207779","10.4506","0.0002","23.1249","0.0005","19.9968","0.0003","90","","120.985","0.001","90","","4143.01","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 Cl N12 Ni O20 -","- C28 H53 Cl N12 Ni O20 -","- C112 H212 Cl4 N48 Ni4 O80 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0597","0.0486","","","0.1259","0.1325","","","","","","1.067","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207780","16.958","0.003","24.82","0.015","10.321","0.002","90","","92.33","0.03","90","","4340","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H51 N12 Ni O14 S -","- C30 H43 N12 Ni O14 S -","- C120 H172 N48 Ni4 O56 S4 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.146","0.0718","","","0.1546","0.1884","","","","","","1.121","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207781","16.9154","0.0019","24.92","0.003","10.3143","0.0011","90","","92.829","0.002","90","","4342.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N13 Ni O13 -","- C31 H49 N13 Ni O13 -","- C124 H196 N52 Ni4 O52 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0948","0.0766","","","0.199","0.2103","","","","","","1.081","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207782","39.696","0.007","10.2615","0.0018","19.738","0.003","90","","112.413","0.002","90","","7433","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 Cu N12 O13.5 -","- C28 H44 Cu N12 O13.5 -","- C224 H352 Cu8 N96 O108 -","8","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.1168","0.0654","","","0.1755","0.2043","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207783","17.0877","0.0019","9.2378","0.001","14.0442","0.0015","90","","111.136","0.001","90","","2067.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Cl2 Cu N6 O8 -","- C13 H28 Cl2 Cu N6 O8 -","- C52 H112 Cl8 Cu4 N24 O32 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0342","0.0282","","","0.0712","0.0742","","","","","","1.03","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207784","21.186","0.005","21.293","0.005","17.947","0.004","90","","96.459","0.018","90","","8045","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Cu6 I2 Mo2 N10 O2 S6 -","- C50 H40 Cu6 I2 Mo2 N10 O2 S6 -","- C200 H160 Cu24 I8 Mo8 N40 O8 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.1096","0.0818","","","0.2246","0.2739","","","","","","1.096","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207785","21.25","0.001","21.2819","0.0008","18.1026","0.0007","90","","96.336","0.004","90","","8136.7","0.6","291","2","291","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 Cu6 I2 Mo2 N14 O6 S6 -","- C62 H61 Cu6 I2 Mo2 N14 O6 S6 -","- C248 H244 Cu24 I8 Mo8 N56 O24 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.075","0.0511","","","0.1197","0.1324","","","","","","1.048","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207786","40.592","0.008","9.7008","0.0019","24.75","0.005","90","","104.95","0.03","90","","9416","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cu6 Mo2 N12 O2 S8 -","- C52 H40 Cu6 Mo2 N12 O2 S8 -","- C208 H160 Cu24 Mo8 N48 O8 S32 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.0946","0.0606","","","0.1363","0.1505","","","","","","1","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207787","21.263","0.002","21.287","0.0018","18.0287","0.0017","90","","96.213","0.01","90","","8112.3","1.3","291.15","","291.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 Br2 Cu6 Mo2 N15 O7 S6 -","- C65 H68 Br2 Cu6 Mo2 N15 O7 S6 -","- C260 H272 Br8 Cu24 Mo8 N60 O28 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.7107","MoKα","","0.0895","0.0502","","","0.1197","0.1412","","","","","","1.004","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207788","12.8267","0.0003","28.9972","0.0008","9.5316","0.0003","90","","92.186","0.002","90","","3542.59","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Mn N O7 -","- C17 H17 Mn N O7 -","- C136 H136 Mn8 N8 O56 -","8","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0491","0.0366","","","0.0995","0.1042","","","","","","0.993","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207789","11.6576","0.0003","7.9742","0.0001","15.6452","0.0003","90","","102.303","0.002","90","","1420.98","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cd O8 -","- C14 H10 Cd O8 -","- C56 H40 Cd4 O32 -","4","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0319","0.0277","","","0.0788","0.0798","","","","","","1.139","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207790","11.9066","0.0002","20.4425","0.0004","7.4631","0.0001","90","","98.596","0.002","90","","1796.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O7 Pb -","- C17 H17 N O7 Pb -","- C68 H68 N4 O28 Pb4 -","4","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0323","0.0215","","","0.0388","0.0397","","","","","","0.929","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207791","25.8352","0.0009","11.4382","0.0003","7.3069","0.0003","90","","98.104","0.004","90","","2137.69","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N2 O6 -","- C26 H18 Cd N2 O6 -","- C104 H72 Cd4 N8 O24 -","4","0.5","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0243","0.021","","","0.0487","0.0493","","","","","","1.03","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207792","11.7493","0.0011","12.9213","0.0013","14.2679","0.0017","107.94","0.01","97.377","0.009","97.394","0.008","2011","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H66 Cd5 N4 O30 -","- C90 H66 Cd5 N4 O30 -","- C90 H66 Cd5 N4 O30 -","1","0.5","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0988","0.0674","","","0.2079","0.2678","","","","","","1.085","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207793","9.1908","0.0005","11.6347","0.0006","12.4736","0.0007","100.591","0.004","111.361","0.003","101.38","0.004","1169.06","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N7 O6 S -","- C22 H21 N7 O6 S -","- C44 H42 N14 O12 S2 -","2","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.167","0.0513","","","0.1182","0.1406","","","","","","0.842","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207794","8.335","0.0007","12.3287","0.001","25.638","0.003","90","","100.345","0.007","90","","2591.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N9 O6 S -","- C24 H27 N9 O6 S -","- C96 H108 N36 O24 S4 -","4","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.1709","0.0498","","","0.0831","0.0976","","","","","","0.906","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207795","12.6988","0.0014","15.425","0.0018","14.7893","0.0018","90","","118.108","0.008","90","","2555.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N6 O5 S -","- C24 H28 N6 O5 S -","- C96 H112 N24 O20 S4 -","4","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.2544","0.0525","","","0.1145","0.158","","","","","","0.859","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207796","12.0553","0.0003","13.5377","0.0003","13.851","0.0004","89.426","0.002","77.013","0.001","67.008","0.001","2020.06","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H39 Ag2 F6 N13 O7 S2 -","- C29 H39 Ag2 F6 N13 O7 S2 -","- C58 H78 Ag4 F12 N26 O14 S4 -","2","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0687","0.0443","","","0.1057","0.1183","","","","","","1.04","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207797","11.263","0.0004","12.8443","0.0003","13.4111","0.0004","95.896","0.002","98.347","0.002","107.469","0.002","1808.9","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 Ag4 F12 N24 O13 S4 -","- C52 H66 Ag4 F12 N24 O13 S4 -","- C52 H66 Ag4 F12 N24 O13 S4 -","1","0.5","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0665","0.0371","","","0.0744","0.0842","","","","","","1.029","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207798","12.6179","0.0004","13.4765","0.0003","20.5256","0.0009","90","","107.897","0.003","90","","3321.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Ag2 Cl2 N12 O7 -","- C25 H36 Ag2 Cl2 N12 O7 -","- C100 H144 Ag8 Cl8 N48 O28 -","4","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0498","0.0287","","","0.0525","0.0576","","","","","","1.035","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207799","12.3742","0.0002","13.884","0.0002","14.1976","0.0002","110.879","0.001","101.366","0.001","102.307","0.001","2124.72","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H64 Ag6 F18 N24 O18 S6 -","- C54 H64 Ag6 F18 N24 O18 S6 -","- C54 H64 Ag6 F18 N24 O18 S6 -","1","0.5","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0346","0.0259","","","0.0571","0.0602","","","","","","1.053","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207800","20.1692","0.0007","6.8605","0.0002","28.4044","0.0008","90","","110.456","0.002","90","","3682.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag F3 N6 O3 S -","- C14 H18 Ag F3 N6 O3 S -","- C112 H144 Ag8 F24 N48 O24 S8 -","8","2","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.072","0.0394","","","0.0767","0.0876","","","","","","1.065","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207801","7.0111","0.0004","10.3913","0.0003","17.7538","0.0011","90","","94.186","0.006","90","","1289.99","0.12","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0364","0.0283","","","0.0521","0.0537","","","","","","0.927","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207802","36.189","0.005","7.5131","0.0005","10.3712","0.0016","90","","102.949","0.013","90","","2748.1","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0439","0.0321","","","0.0837","0.0874","","","","","","1.075","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207803","7.823","0.003","9.608","0.005","12.6865","0.0015","102.052","0.007","90.957","0.017","113.86","0.02","847.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C34 H40 N4 O12 -","2","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.1358","0.0396","","","0.0506","0.0594","","","","","","0.772","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207804","20.003","0.004","13.847","0.003","12.636","0.002","90","","113.54","0.01","90","","3208.7","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N2 O5.5 -","- C16 H19 N2 O5.5 -","- C128 H152 N16 O44 -","8","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0823","0.0533","","","0.1216","0.1391","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207805","6.047","0.002","6.272","0.003","26.102","0.008","89.21","0.04","85.91","0.03","66.67","0.04","906.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O4 -","- C18 H15 N2 O4 -","- C36 H30 N4 O8 -","2","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0848","0.0594","","","0.1783","0.1911","","","","","","1.078","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207806","14.4121","0.0009","14.7205","0.0009","14.7927","0.001","110.087","0.002","104.02","0.002","108.739","0.001","2562.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 N12 Nd4 O33 -","- C88 H100 N12 Nd4 O33 -","- C88 H100 N12 Nd4 O33 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.115","0.0752","","","0.1978","0.2431","","","","","","1.095","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207807","14.424","0.0012","14.463","0.0011","14.633","0.002","111.254","0.002","104.137","0.002","107.699","0.001","2485","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 N12 O33 Yb4 -","- C88 H100 N12 O33 Yb4 -","- C88 H100 N12 O33 Yb4 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.0532","0.039","","","0.0956","0.1044","","","","","","1.044","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207808","14.4573","0.0013","14.569","0.0013","14.707","0.002","111.567","0.002","102.88","0.002","107.54","0.001","2545","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 Er4 N12 O33 -","- C88 H100 Er4 N12 O33 -","- C88 H100 Er4 N12 O33 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.0576","0.0394","","","0.099","0.1114","","","","","","1.02","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207809","22.334","0.005","20.772","0.005","20.407","0.005","90","0.005","90","0.005","90","0.005","9467","4","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C30 H20 Ag10 N25 O68 P2 W18 -","- C30 H20 Ag10 N25 O68 P2 W18 -","- C120 H80 Ag40 N100 O272 P8 W72 -","4","0.5","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0377","0.0338","","","0.0644","0.0657","","","","","","1.049","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207810","12.068","0.005","13.909","0.005","22.742","0.005","95.902","0.005","104.964","0.005","103.97","0.005","3523","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Ag7 N25 O41 Si W12 -","- C30 H20 Ag7 N25 O41 Si W12 -","- C60 H40 Ag14 N50 O82 Si2 W24 -","2","1","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0879","0.0657","","","0.1427","0.1572","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207811","5.4378","0.0011","7.0974","0.0014","12.031","0.002","90.52","0.03","95.2","0.03","102.28","0.03","451.64","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 O12 S2 Zn -","- C14 H18 O12 S2 Zn -","- C14 H18 O12 S2 Zn -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0368","0.0275","","","0.0757","0.0862","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207812","5.6965","0.0011","7.1619","0.0014","11.935","0.002","93.51","0.03","92.42","0.03","105.53","0.03","467.39","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cd O12 S2 -","- C14 H18 Cd O12 S2 -","- C14 H18 Cd O12 S2 -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0564","0.0539","","","0.1518","0.1537","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207813","7.7849","0.0016","9.839","0.002","12.367","0.003","76.16","0.03","84","0.03","71.71","0.03","872.8","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cd2 N4 O12 S2 -","- C34 H32 Cd2 N4 O12 S2 -","- C34 H32 Cd2 N4 O12 S2 -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.032","0.0264","","","0.0711","0.0807","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207814","7.6682","0.0017","10.7302","0.0019","11.371","0.002","89.097","0.005","72.836","0.006","89.849","0.006","893.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C34 H36 N4 O14 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1229","0.0699","","","0.1744","0.2249","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207815","7.1106","0.0014","18.31","0.004","12.36","0.003","90","","100.11","0.03","90","","1584.2","0.6","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 N4 O13 S Zn -","- C27 H36 N4 O13 S Zn -","- C54 H72 N8 O26 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1156","0.0534","","","0.1212","0.19","","","","","","1.048","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207816","18.49","0.004","12.4","0.003","25","0.005","90","","107.99","0.03","90","","5452","2","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H52 Cd2 N8 O16 S2 -","- C54 H52 Cd2 N8 O16 S2 -","- C216 H208 Cd8 N32 O64 S8 -","4","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0466","0.041","","","0.0971","0.1016","","","","","","1.023","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207817","23.7711","0.0016","18.2299","0.0012","10.4033","0.0007","90","","91.183","0.002","90","","4507.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cd2 N4 O12 -","- C48 H40 Cd2 N4 O12 -","- C192 H160 Cd8 N16 O48 -","4","1","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo","Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers","CrystEngComm","2012","14","9","3264","","10.1039/c2ce06593b","","","0.71073","MoKα","","0.038","0.0301","","","0.0885","0.0937","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207818","27.312","0.0005","27.312","0.0005","34.5543","0.0015","90","","90","","90","","25775.6","1.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C125 H134 N10 Ni5 O32 -","- C125 H134 N10 Ni5 O32 -","- C1000 H1072 N80 Ni40 O256 -","8","0.5","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo","Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers","CrystEngComm","2012","14","9","3264","","10.1039/c2ce06593b","","","0.71073","MoKα","","0.1049","0.0489","","","0.0957","0.1197","","","","","","0.928","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207819","23.3334","0.0007","10.3868","0.0003","17.3827","0.0006","90","","109.477","0.002","90","","3971.8","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N12 O2 S2 -","- C40 H34 Co N12 O2 S2 -","- C160 H136 Co4 N48 O8 S8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.1092","0.0697","","0.1443","0.0669","0.056","","","","","","1.0536","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207820","28.199","0.006","10.371","0.002","32.295","0.007","90","","103.51","0.03","90","","9183","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50.33 H38.67 Cl1.33 Co N8 O2 S2 -","- C50.34 H36.68 Cl1.34 Co N8 O1.99 S2 -","- C402.72 H293.44 Cl10.72 Co8 N64 O15.92 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0487","0.0463","","","0.1244","0.1264","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207821","14.3014","0.0008","14.3112","0.0007","26.2091","0.0012","90","","90","","90","","5364.2","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Co N6 O2 S2 -","- C27 H28 Co N6 O2 S2 -","- C216 H224 Co8 N48 O16 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0425","0.0415","","","0.0928","0.0933","","","","","","1.216","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207822","24.608","0.002","10.6168","0.001","17.7748","0.0016","90","","116.118","0.006","90","","4169.6","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H70 Co2 N16 O5 S4 -","- C88 H60 Co2 N16 O5 S4 -","- C176 H120 Co4 N32 O10 S8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0597","0.0581","","","0.1598","0.1612","","","","","","1.119","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207823","7.0576","0.0008","21.727","0.003","12.0929","0.0012","90","","103.978","0.008","90","","1799.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl3 N5 -","- C19 H14 Cl3 N5 -","- C76 H56 Cl12 N20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0437","0.0368","","","0.0894","0.0931","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207824","19.386","0.002","18.7538","0.0017","7.9689","0.0013","90","","99.188","0.013","90","","2860","0.6","","","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate","(salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate","","- C29 H28 N6 Ni O3 S2 -","- C29 H28 N6 Ni O3 S2 -","- C116 H112 N24 Ni4 O12 S8 -","4","1","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","","","0.71073","MoKα","","0.1694","0.0914","","","0.1682","0.1926","","","","","","1.085","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207825","11.8765","0.00054","22.5378","0.0012","10.78016","0.00051","90","","116.174","0.0029","90","","2589.6","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N6 Ni O2 S2 -","- C28 H24 N6 Ni O2 S2 -","- C112 H96 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0162","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207826","19.7898","0.001","8.36585","0.00034","11.79716","0.00041","90","","90","","90","","1953.12","0.14","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H20 N6 Ni O2 S2 -","- C18 H20 N6 Ni O2 S2 -","- C72 H80 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0186","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207827","11.115","0.005","14.361","0.006","14.281","0.005","90","","92.75","0.05","90","","2276.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Ag N5 O5 S -","- C7 H8 Ag N5 O5 S -","- C56 H64 Ag8 N40 O40 S8 -","8","1","","Kumar, Jitendra; Kanoo, Prakash; Maji, Tapas Kumar; Verma, Sandeep","Water adsorbing silver‒adenine interpenetrated framework","CrystEngComm","2012","14","9","3012","","10.1039/c2ce06625d","","","0.71073","MoKα","","0.084","0.066","","","0.15","0.1606","","","","","","1.083","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207828","11.115","0.005","14.361","0.006","14.281","0.005","90","","92.75","0.05","90","","2276.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Ag N5 O5 S -","- C7 H8 Ag N5 O5 S -","- C56 H64 Ag8 N40 O40 S8 -","8","1","","Chen, Shui-Sheng; Zhao, Yue; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Chen, Zhi-Hao; Sun, Wei-Yin","Construction of coordination frameworks based on 4-imidazolyl tecton 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylic acids","CrystEngComm","2012","14","10","3564","","10.1039/c2ce06632g","","","0.71073","MoKα","","0.109","0.0713","","","0.1562","0.1805","","","","","","1.075","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207829","8.5302","0.0003","6.8167","0.0003","9.3304","0.0004","90","","89.865","0.002","90","","542.54","0.04","509","","509","","","","","","","","commercial","4","C 1 2/c 1","-C 2yc","15","Barbituric acid","2,4,6(1H,3H,5H)-pyrimidinetrione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Többens, Daniel M.; Glinneman, Jürgen; Chierotti, Michele R.; van de Streek, Jacco; Sheptyakov, Denis","On the high-temperature phase of barbituric acid","CrystEngComm","2012","14","9","3046","","10.1039/c2ce06636j","","","","","","","","","","","","","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207830","5.0901","0.0003","13.9239","0.0006","16.8234","0.0008","90","","90","","90","","1192.34","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","l-argininium perrhenate","l-argininium perrhenate","","- C6 H15 N4 O6 Re -","- C6 H15 N4 O6 Re -","- C24 H60 N16 O24 Re4 -","4","1","","Isakov, Dmitry; de Matos Gomes, Etelvina; Belsley, Michael Scott; Rodrigues, Vitor Hugo; Ramalho Costa, Maria Margarida","Synthesis, structure and non-linear optical properties of l-argininium perrhenate crystal","CrystEngComm","2012","14","10","3767","","10.1039/c2ce06652a","","","0.71073","MoKα","","0.0612","0.0505","","","0.1291","0.137","","","","","","1.053","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207831","7.313","0.0015","11.236","0.002","8.2171","0.0016","90","","97.26","0.03","90","","669.8","0.2","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Zhang, Wenlin; Sun, Jianfeng; Wang, Xiaoqing; Shen, Guangqiu; Shen, Dezhong","Crystal growth and optical properties of a noncentrosymmetric molybdenum tellurite, Na2Te3Mo3O16","CrystEngComm","2012","14","10","3490","","10.1039/c2ce06658k","","","0.71073","MoKα","","0.0307","0.0292","","","0.0641","0.0646","","","","","","1.073","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207832","7.1438","0.0002","10.8234","0.0002","15.2054","0.0003","90","","99.562","0.001","90","","1159.35","0.05","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H25 N O5 S -","- C29 H25 N O5 S -","- C58 H50 N2 O10 S2 -","2","1","","Kim, Pil-Joo; Jazbinsek, Mojca; Jeong, Jae-Hyeok; Kim, Jong-Taek; Lee, Yoon Sup; Jung, Yeong-Min; Lee, Soon W.; Kwon, O-Pil","New acentric quinolinium crystal with high order parameter for nonlinear optical and electro-optic applications","CrystEngComm","2012","14","10","3633","","10.1039/c2ce06667j","","","0.71073","MoKα","","0.0544","0.0394","","","0.0851","0.0918","","","","","","1.042","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207833","11.3822","0.0002","11.1231","0.0002","15.3382","0.0002","90","","105.212","0.001","90","","1873.86","0.05","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N2 O7 P S -","- C18 H15 Cu N2 O7 P S -","- C72 H60 Cu4 N8 O28 P4 S4 -","4","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0384","0.0296","","","0.0801","0.0849","","","","","","1.073","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207834","10.2042","0.0003","6.9866","0.0002","24.8482","0.0006","90","","90.929","0.001","90","","1771.26","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu N2 O6 P -","- C19 H15 Cu N2 O6 P -","- C76 H60 Cu4 N8 O24 P4 -","4","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0498","0.0326","","","0.0938","0.115","","","","","","1.078","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207835","10.1238","0.0008","10.4815","0.0009","13.143","0.0011","69.569","0.001","75.034","0.001","63.557","0.001","1161.36","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","3","","","- C21 H19 Cu N2 O9.5 P3 -","- C21 H18 Cu N2 O9.5 P3 -","- C42 H36 Cu2 N4 O19 P6 -","2","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0385","0.0342","","","0.0955","0.0988","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207836","9.143","0.003","9.4","0.003","11.457","0.004","101.379","0.007","91.586","0.007","114.862","0.006","869","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cu N2 O6 P2 -","- C16 H14 Cu N2 O6 P2 -","- C32 H28 Cu2 N4 O12 P4 -","2","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0261","0.0232","","","0.063","0.0652","","","","","","1.056","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207837","26.9341","0.0008","8.4997","0.0002","26.9792","0.0008","90","","117.043","0.001","90","","5501.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cu N4 O6 P2 -","- C30 H23 Cu N4 O6 P2 -","- C240 H184 Cu8 N32 O48 P16 -","8","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.059","0.0386","","","0.1","0.111","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207838","8.2313","0.001","10.2454","0.0012","11.5573","0.0014","74.28","0.001","74.22","0.001","70.04","0.001","864.33","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Ag I3 N2 -","- C12 H14 Ag I3 N2 -","- C24 H28 Ag2 I6 N4 -","2","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0225","0.02","","","0.0468","0.0481","","","","","","1.043","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207839","12.653","0.003","13.229","0.003","26.039","0.005","90","","90","","90","","4358.6","1.7","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Ag I3 N2 -","- C18 H18 Ag I3 N2 -","- C144 H144 Ag8 I24 N16 -","8","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0521","0.0311","","","0.0553","0.0596","","","","","","1.106","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207840","7.3392","0.0007","8.5029","0.0009","9.2575","0.0009","92.439","0.002","91.191","0.002","108.102","0.002","548.27","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Ag2 I4 N2 -","- C14 H18 Ag2 I4 N2 -","- C14 H18 Ag2 I4 N2 -","1","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0821","0.0777","","","0.1813","0.1861","","","","","","1.088","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207841","10.502","0.008","14.784","0.011","13.335","0.009","90","","110.039","0.014","90","","1945","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag2 Br4 N2 -","- C14 H18 Ag2 Br4 N2 -","- C56 H72 Ag8 Br16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.104","0.0674","","","0.1364","0.1489","","","","","","1.091","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207842","11.1087","0.0006","16.3854","0.0008","13.9793","0.0009","90","","109.386","0.007","90","","2400.3","0.3","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag2 I4 N2 -","- C16 H22 Ag2 I4 N2 -","- C64 H88 Ag8 I16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0893","0.0587","","","0.1201","0.1356","","","","","","1.035","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207843","14.0772","0.0011","21.7338","0.0018","31.559","0.003","90","","90","","90","","9655.5","1.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C17 H24 Ag2 I4 N2 -","- C17 H24 Ag2 I4 N2 -","- C272 H384 Ag32 I64 N32 -","16","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.053","0.0275","","","0.0661","0.0844","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207844","9.1768","0.0012","16.292","0.002","6.9455","0.0009","90","","99.883","0.002","90","","1023","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 Ag Br2 N -","- C7 H9 Ag Br2 N -","- C28 H36 Ag4 Br8 N4 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0363","0.027","","","0.0606","0.0642","","","","","","1.069","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207845","8.6941","0.0007","14.4401","0.0012","16.6058","0.0014","90","","92.109","0.001","90","","2083.3","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag2 Br4 N2 -","- C15 H20 Ag2 Br4 N2 -","- C60 H80 Ag8 Br16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0302","0.0216","","","0.0462","0.0488","","","","","","1.026","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207846","8.1005","0.001","11.1349","0.0013","11.5011","0.0013","107.703","0.002","96.284","0.002","90.253","0.002","981.5","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ag Br N4 S2 -","- C18 H16 Ag Br N4 S2 -","- C36 H32 Ag2 Br2 N8 S4 -","2","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0687","0.0451","","","0.1101","0.1211","","","","","","1.082","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207847","8.6394","0.0006","9.1974","0.0006","13.6575","0.001","90","","98.458","0.006","90","","1073.42","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Ag2 Br2 I0 N6 O0 S2 -","- C14 H20 Ag2 Br2 N6 S2 -","- C28 H40 Ag4 Br4 N12 S4 -","2","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0797","0.0694","","","0.1681","0.1764","","","","","","1.068","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207848","18.071","0.002","7.2152","0.0008","8.8573","0.0014","90","","108.136","0.015","90","","1097.5","0.3","291.15","","291.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H10 Ag Br2 N2 -","- C6 H3 Ag Br2 N2 -","- C24 H12 Ag4 Br8 N8 -","4","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0542","0.0463","","","0.1385","0.1451","","","","","","1.094","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207849","18.2976","0.0014","18.9067","0.0006","13.4284","0.0009","90","","132.716","0.013","90","","3413.2","0.8","291","2","291.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H30 Ag4 I6 N2 -","- C20 H30 Ag4 I6 N2 -","- C80 H120 Ag16 I24 N8 -","4","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0615","0.0427","","","0.1359","0.153","","","","","","1.001","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207850","9.708","0.0004","14.111","0.0009","16.579","0.001","72.751","0.002","87.723","0.004","71.095","0.003","2048","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C65.6 H61.5 Cu2 N2 O10.8 -","- C68.6 H52.6 Cu2 N2 O9.8 -","- C68.6 H52.6 Cu2 N2 O9.8 -","1","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1103","0.0751","","","0.1955","0.2095","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207851","23.32","0.003","9.5701","0.0014","26.478","0.004","90","","103.799","0.002","90","","5738.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H29 Cu N O4.5 -","- C29 H25 Cu N O4 -","- C232 H200 Cu8 N8 O32 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7848","Synchrotron","","0.1143","0.0768","","","0.214","0.234","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207852","23.043","0.01","9.582","0.004","26.852","0.011","90","","104.624","0.007","90","","5737","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H62 N4 O10 Zn2 -","- C64 H62 N4 O10 Zn2 -","- C256 H248 N16 O40 Zn8 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7749","Synchrotron","","0.0804","0.0423","","","0.0781","0.0866","","","","","","1.032","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207853","18.775","0.001","18.775","0.001","19.672","0.003","90","","90","","90","","6934.4","1.2","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H10 Cu I2 N O4 -","- C16 H10 Cu I2 N O4 -","- C256 H160 Cu16 I32 N16 O64 -","16","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1125","0.0668","","","0.175","0.189","","","","","","1.06","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207854","12.797","0.0005","12.797","0.0005","39.098","0.0018","90","","90","","90","","6402.8","0.5","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H38 Cu2 I4 N3 O10 -","- C32 H19 Cu2 I4 N3 O8 -","- C128 H76 Cu8 I16 N12 O32 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1056","0.0786","","","0.2418","0.2617","","","","","","1.078","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207855","12.4072","0.0008","12.4082","0.0007","33.608","0.002","87.891","0.002","88.473","0.002","83.785","0.002","5138.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C87.5 H101.5 I8 N10.5 O22.5 Zn4 -","- C87.5 H101.5 I8 N10.5 O22.5 Zn4 -","- C175 H203 I16 N21 O45 Zn8 -","2","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7749","Synchrotron","","0.1137","0.0764","","","0.1937","0.221","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207856","15.603","0.0002","11.126","0.0001","29.859","0.0003","90","","90.711","0.001","90","","5183.09","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Cu N2 O8 -","- C64 H58 Cu N2 O8 -","- C256 H232 Cu4 N8 O32 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.0532","0.0391","","","0.0837","0.0906","","","","","","1.04","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207857","25.733","0.0006","13.582","0.0003","17.299","0.0004","90","","106.939","0.001","90","","5783.8","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H52 N4 O8 Zn2 -","- C72 H52 N4 O8 Zn2 -","- C288 H208 N16 O32 Zn8 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1073","0.0561","","","0.1289","0.1506","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207858","26.786","0.0007","24.706","0.0007","7.437","0.0002","90","","104.858","0.002","90","","4757.1","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 I2 N2 O4 Zn -","- C24 H16 I2 N2 O4 Zn -","- C192 H128 I16 N16 O32 Zn8 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.0965","0.0591","","","0.159","0.1728","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207859","14.749","0.002","14.749","0.002","22.313","0.005","90","","90","","90","","4853.8","1.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H27 N6 O27.5 Zn4 -","- C156 H108 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1169","0.0785","","","0.1411","0.1572","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207860","14.672","0.002","14.672","0.002","22.225","0.004","90","","90","","90","","4784.3","1.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H38 N6 O27.5 Zn4 -","- C156 H152 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1264","0.0756","","","0.1662","0.1876","","","","","","1.268","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207861","10.1534","0.0013","10.1725","0.0013","11.357","0.0014","114.956","0.001","90.045","0.002","118.918","0.001","899.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cd N3 O7 -","- C15 H19 Cd N3 O7 -","- C30 H38 Cd2 N6 O14 -","2","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0344","0.0324","","","0.0831","0.0843","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207862","10.262","0.004","17.1","0.007","10.488","0.005","90","","119.16","0.005","90","","1607.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cd2 N4 O17 -","- C24 H24 Cd2 N4 O17 -","- C48 H48 Cd4 N8 O34 -","2","0.5","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0423","0.0399","","","0.1086","0.1108","","","","","","1.119","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207863","9.1431","0.0007","10.1077","0.0008","15.6537","0.0018","95.19","0.001","91.944","0.001","116.712","0.001","1282.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","1","0.5","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0533","0.0351","","","0.0578","0.0614","","","","","","0.893","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207864","6.3889","0.0004","11.0946","0.0007","16.6876","0.001","90","","95.688","0.001","90","","1177.03","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0391","0.0286","","","0.0641","0.0665","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207865","10.1525","0.001","13.559","0.0014","17.9533","0.0019","90","","90","","90","","2471.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O5 Zn -","- C12 H10 N2 O5 Zn -","- C96 H80 N16 O40 Zn8 -","8","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0404","0.0333","","","0.0881","0.091","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207866","25.264","0.009","7.313","0.003","16.584","0.006","90","","122.616","0.004","90","","2580.8","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H40 Ge2 N8 S6 -","- C12 H40 Ge2 N8 S6 -","- C48 H160 Ge8 N32 S24 -","4","0.5","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.0438","0.038","","","0.0943","0.1035","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207867","11.567","0.005","14.633","0.006","14.465","0.006","90","","96.434","0.004","90","","2432.9","1.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl Eu Ge N9 S3 -","- C12 H39 Cl Eu Ge N9 S3 -","- C48 H156 Cl4 Eu4 Ge4 N36 S12 -","4","1","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.0302","0.0278","","","0.0677","0.0694","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207868","19.638","0.004","14.415","0.003","16.91","0.003","90","","122.47","0.03","90","","4038.6","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H61.5 N12.5 O3 S6 Sn2 Y2 -","- C16 H46 Ge2 N10 O2 S6 Y2 -","- C64 H184 Ge8 N40 O8 S24 Y8 -","4","0.5","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.1715","0.0726","","","0.1746","0.1976","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207869","31.3656","0.0007","14.1509","0.0006","12.4299","0.0005","90","","99.607","0.003","90","","5439.7","0.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C44 H104 N26 Nd2 O78 S8 U4 -","- C44 H88 N26 Nd2 O78 S8 U4 -","- C88 H176 N52 Nd4 O156 S16 U8 -","2","0.25","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0582","0.0379","","","0.0966","0.1035","","","","","","0.988","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207870","31.1056","0.0012","14.174","0.0003","20.8484","0.0008","90","","93.8479","0.0017","90","","9171.1","0.5","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 Dy1.5 N26.5 O66.5 S6 U4 -","- C42 H74 Dy1.5 N26.5 O66.5 S6 U4 -","- C168 H296 Dy6 N106 O266 S24 U16 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0589","0.0399","","","0.1033","0.1098","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207871","31.0881","0.0009","14.1832","0.0003","20.8347","0.0005","90","","93.8691","0.0015","90","","9165.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 Er1.5 N26.5 O66.5 S6 U4 -","- C42 H74 Er1.5 N26.5 O66.5 S6 U4 -","- C168 H296 Er6 N106 O266 S24 U16 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0559","0.0373","","","0.0906","0.097","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207872","31.1082","0.0012","14.1633","0.0004","20.7953","0.0008","90","","93.892","0.002","90","","9141.2","0.6","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 N26.5 O66.5 S6 U4 Yb1.5 -","- C42 H74 N26.5 O66.5 S6 U4 Yb1.5 -","- C168 H296 N106 O266 S24 U16 Yb6 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0688","0.0428","","","0.1038","0.1119","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207873","11.501","0.002","14.424","0.003","28.959","0.006","90","","90","","90","","4804","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0536","0.0336","","","0.0376","0.0389","","","","","","0.953","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207874","11.4952","0.0005","14.4352","0.0005","28.9218","0.0014","90","","90","","90","","4799.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0312","0.0284","","","0.0505","0.0515","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207875","38.6025","0.0014","5.7352","0.0002","6.3225","0.0003","90","","94.318","0.002","90","","1395.78","0.1","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 Cu O10 -","- C28 H34 Cu O10 -","- C56 H68 Cu2 O20 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0548","0.0498","","","0.131","0.1352","","","","","","1.06","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207876","29.5909","0.0005","7.4519","0.0002","6.2317","0.0001","90","","90.979","0.002","90","","1373.94","0.05","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 O9 Zn -","- C28 H32 O9 Zn -","- C56 H64 O18 Zn2 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0449","0.0366","","","0.0866","0.1075","","","","","","1.037","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207877","47.055","0.004","6.1619","0.0005","8.4473","0.0007","90","","100.263","0.003","90","","2410.1","0.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H28 Cd O7 -","- C28 H28 Cd O7 -","- C112 H112 Cd4 O28 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0253","0.0241","","","0.0593","0.0602","","","","","","1.033","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207878","8.909","0.005","8.91","0.005","20.68","0.005","90.753","0.005","99.662","0.005","99.077","0.005","1596.7","1.3","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H42 Ni O14 -","- C28 H42 Ni O14 -","- C56 H84 Ni2 O28 -","2","2","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71069","MoKα","","0.1249","0.0812","","","0.2019","0.2288","","","","","","1.256","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207879","28.998","0.012","5.76","0.002","8.162","0.003","90","","92.364","0.005","90","","1362.1","0.9","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 Cd O9 -","- C28 H32 Cd O9 -","- C56 H64 Cd2 O18 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0518","0.0436","","","0.0984","0.1064","","","","","","1.006","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207880","15.6189","0.0009","11.2218","0.0007","9.7123","0.0006","90","","90","","90","","1702.3","0.18","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H6 Ag2 Cl2 N8 O8 -","- C10 H6 Ag2 Cl2 N8 O8 -","- C40 H24 Ag8 Cl8 N32 O32 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0429","0.04","","","0.106","0.109","","","1.122","","","1.082","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207881","10.484","0.002","16.466","0.003","18.343","0.004","90","","90","","90","","3166.5","1.1","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H9 Ag Cl N9 O4 -","- C12 H9 Ag Cl N9 O4 -","- C96 H72 Ag8 Cl8 N72 O32 -","8","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.1061","0.0603","","","0.1457","0.176","","","1.008","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207882","7.5876","0.0003","11.6328","0.0006","13.6088","0.0007","99.735","0.002","99.024","0.002","94.537","0.002","1162.33","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 Ag2 N15 -","- C20 H11 Ag2 N15 -","- C40 H22 Ag4 N30 -","2","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0247","0.0216","","","0.0529","0.0578","","","","","","1.095","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207883","6.9167","0.0005","8.5461","0.0005","16.9167","0.0012","90","","95.348","0.002","90","","995.61","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Ag N7 -","- C9 H3 Ag N7 -","- C36 H12 Ag4 N28 -","4","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0369","0.0318","","","0.1076","0.1168","","","0.941","","","0.941","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207884","8.3748","0.0003","13.6582","0.0005","19.0224","0.0007","74.578","0.002","78.091","0.002","77","0.002","2018.74","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Ag N7 O3 -","- C12 H8 Ag N7 O3 -","- C72 H48 Ag6 N42 O18 -","6","3","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.069","0.0589","","","0.1073","0.1113","","","","","","1.251","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207885","18.1292","0.0006","7.8219","0.0002","11.7806","0.0004","90","","121.711","0.001","90","","1421.15","0.08","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N8 O6 -","- C12 H10 N8 O6 -","- C48 H40 N32 O24 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0387","0.0356","","","0.0882","0.0912","","","","","","1.094","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207886","16.566","0.015","8.573","0.008","18.719","0.017","90","","101.7","0.02","90","","2603","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 O12 P2 Zn3 -","- C18 H20 N4 O12 P2 Zn3 -","- C72 H80 N16 O48 P8 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two metal phosphonates","CrystEngComm","2012","14","10","3478","","10.1039/c2ce25279a","","","0.71073","MoKα","","0.1138","0.088","","","0.2038","0.2228","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207887","8.9939","0.0002","10.8591","0.0005","14.3633","0.0003","88.893","0.006","74.348","0.005","84.146","0.005","1343.69","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 N4 O13 P2 Pb3 -","- C18 H26 N4 O13 P2 Pb3 -","- C36 H52 N8 O26 P4 Pb6 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two metal phosphonates","CrystEngComm","2012","14","10","3478","","10.1039/c2ce25279a","","","0.71073","MoKα","","0.0331","0.0268","","","0.0484","0.0507","","","","","","1.054","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207888","9.9552","0.0011","14.2894","0.0016","8.1057","0.0009","90","","101.783","0.002","90","","1128.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-phenyldithienopyrrole","N-phenyldithieno[3,2-b:2',3'-d]pyrrole","","- C14 H9 N S2 -","- C14 H9 N S2 -","- C56 H36 N4 S8 -","4","1","","Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C.","Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit.","Physical chemistry chemical physics : PCCP","2012","14","17","6101","6111","10.1039/c2cp40161d","","","0.71073","MoKα","","0.0298","0.0267","","","0.0699","0.0721","","","","","","1.035","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207889","10.8666","0.0003","22.8858","0.0006","7.4246","0.0002","90","","90","","90","","1846.43","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Phenyl-2,6-bis(2-thienyl)dithieno[3,2-b:2?3?-d]pyrrole","","- C22 H13 N S4 -","- C22 H13 N S4 -","- C88 H52 N4 S16 -","4","1","","Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C.","Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit.","Physical chemistry chemical physics : PCCP","2012","14","17","6101","6111","10.1039/c2cp40161d","","","1.54178","CuKα","","0.032","0.0306","","","0.0796","0.0809","","","","","","1.066","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207890","8.9068","0.0006","21.4647","0.0014","9.5892","0.0006","90","","108.726","0.001","90","","1736.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2,6-Dibromo-N-octanoyldithienopyrrole","2,6-Dibromo-N-octanoyldithieno[3,2-b:2',3'-d]pyrrole","","- C16 H17 Br2 N O S2 -","- C16 H17 Br2 N O S2 -","- C64 H68 Br8 N4 O4 S8 -","4","1","","Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C.","Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit.","Physical chemistry chemical physics : PCCP","2012","14","17","6101","6111","10.1039/c2cp40161d","","","0.71073","MoKα","","0.0218","0.0179","","","0.0416","0.0429","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207891","12.755","0.0004","13.8809","0.0005","16.4661","0.0006","104.344","0.0011","104.593","0.001","99.8816","0.001","2646.82","0.16","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H104 N22 O12 Yb2 -","- C119 H104 N22 O12 Yb2 -","- C119 H104 N22 O12 Yb2 -","1","0.5","","Sanguineti, Alessandro; Monguzzi, Angelo; Vaccaro, Gianfranco; Meinardi, Franco; Ronchi, Elisabetta; Moret, Massimo; Cosentino, Ugo; Moro, Giorgio; Simonutti, Roberto; Mauri, Michele; Tubino, Riccardo; Beverina, Luca","NIR emitting ytterbium chelates for colourless luminescent solar concentrators","Physical Chemistry Chemical Physics","2012","14","18","6452","6455","10.1039/c2cp40791d","","","0.71075","MoKα","","0.0317","0.0299","","","0.0657","0.0668","","","","","","1.094","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207892","10.102","0.0003","12.5751","0.0004","16.8441","0.0006","71.39","0.003","75.122","0.004","79.674","0.005","1948.81","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N11 O6 Yb -","- C42 H32 N11 O6 Yb -","- C84 H64 N22 O12 Yb2 -","2","1","","Sanguineti, Alessandro; Monguzzi, Angelo; Vaccaro, Gianfranco; Meinardi, Franco; Ronchi, Elisabetta; Moret, Massimo; Cosentino, Ugo; Moro, Giorgio; Simonutti, Roberto; Mauri, Michele; Tubino, Riccardo; Beverina, Luca","NIR emitting ytterbium chelates for colourless luminescent solar concentrators","Physical Chemistry Chemical Physics","2012","14","18","6452","6455","10.1039/c2cp40791d","","","0.71075","MoKα","","0.0297","0.0284","","","0.0627","0.0634","","","","","","1.122","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207893","9.394","0.003","9.114","0.002","16.558","0.004","90","","104.714","0.003","90","","1371.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Li, Jian; Liu, Yuejin; Li, Chunju; Jie, Haohua; Jia, Xueshun","Atom-economical synthesis of the functionalized spirocyclic oxindole-butenolide via three-component [2 + 2 + 1] cycloaddition strategy","Green Chemistry","2012","14","5","1314","","10.1039/c2gc00015f","","","0.71073","MoKα","","0.0502","0.0369","","","0.0893","0.0982","","","","","","1.058","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207894","8.897","0.011","12.592","0.016","13.863","0.017","99.404","0.016","108.029","0.017","95.241","0.018","1440","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 Cl N2 O4 -","- C29 H33 Cl N2 O4 -","- C58 H66 Cl2 N4 O8 -","2","1","","Li, Jian; Liu, Yuejin; Li, Chunju; Jie, Haohua; Jia, Xueshun","Atom-economical synthesis of the functionalized spirocyclic oxindole-butenolide via three-component [2 + 2 + 1] cycloaddition strategy","Green Chemistry","2012","14","5","1314","","10.1039/c2gc00015f","","","0.71073","MoKα","","0.1203","0.0708","","","0.1741","0.2046","","","","","","1.036","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207895","24.11","0.01","17.011","0.009","33.45","0.02","90","","91.57","0.04","90","","13714","12","","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5,7-tetrakis[4-(diacetoxyiodo)phenyl]adamantane","","- C50 H56 I4 O18 -","- C50 H52 I4 O18 -","- C400 H416 I32 O144 -","8","1","","Dohi, Toshifumi; Fukushima, Kei-ichiro; Kamitanaka, Tohru; Morimoto, Koji; Takenaga, Naoko; Kita, Yasuyuki","An excellent dual recycling strategy for the hypervalent iodine/nitroxyl radical mediated selective oxidation of alcohols to aldehydes and ketones","Green Chemistry","2012","14","5","1493","","10.1039/c2gc16632a","","","","","","0.097","0.067","","","","0.181","","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207896","9.4865","0.0004","9.9343","0.0004","10.5514","0.0005","114.009","0.002","113.796","0.002","90.405","0.002","813.5","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C40 H38 N6 -","2","1","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor‒donor‒acceptor‒acceptor systems and acceptor‒donor‒acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0697","0.0506","","","0.1486","0.161","","","","","","1.29","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207897","25.1335","0.0006","12.37744","0.00018","13.4158","0.0003","90","","119.443","0.003","90","","3634.47","0.17","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C152 H120 N40 O16 -","8","1","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor‒donor‒acceptor‒acceptor systems and acceptor‒donor‒acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","1.54184","CuKα","","0.0543","0.0445","","","0.1163","0.125","","","","","","1.042","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207898","20.561","0.002","7.228","0.0008","24.638","0.003","90","","112.873","0.001","90","","3373.7","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C160 H112 N32 -","8","2","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor‒donor‒acceptor‒acceptor systems and acceptor‒donor‒acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0746","0.0457","","","0.1508","0.2011","","","","","","0.683","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207899","11.7899","0.0003","14.3124","0.0005","14.5079","0.0004","64.617","0.001","78.242","0.001","76.142","0.001","2133.06","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","2","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor‒donor‒acceptor‒acceptor systems and acceptor‒donor‒acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0877","0.0514","","","0.1385","0.1578","","","","","","1.166","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207900","18.7594","0.0009","18.7594","","15.4559","0.0011","90","","90","","120","","4710.5","0.4","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H36 Eu N7 O6 -","- C48 H36 Eu N7 O6 -","- C192 H144 Eu4 N28 O24 -","4","0.333333","","Yan, Cheng; Li, Kang; Wei, Shi-Chao; Wang, Hai-Ping; Fu, Lei; Pan, Mei; Su, Cheng-Yong","Lanthanide homometallic and d‒f heterometallic MOFs from the same tripodal ligand: structural comparison, one photon (OP) vs. two photon (TP) luminescence and selective guest adsorption behavior","Journal of Materials Chemistry","2012","22","19","9846","","10.1039/c2jm00001f","","","0.71073","MoKα","","0.1054","0.0625","","","0.1656","0.2013","","","","","","1.069","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207901","13.072","0.001","14.325","0.001","16.928","0.002","96.764","0.002","112.235","0.012","93.165","0.005","2896.5","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H120 Cl4 Eu2 N18 O21 Zn2 -","- C112 H108 Cl4 Eu2 N18 O21 Zn2 -","- C112 H108 Cl4 Eu2 N18 O21 Zn2 -","1","0.5","","Yan, Cheng; Li, Kang; Wei, Shi-Chao; Wang, Hai-Ping; Fu, Lei; Pan, Mei; Su, Cheng-Yong","Lanthanide homometallic and d‒f heterometallic MOFs from the same tripodal ligand: structural comparison, one photon (OP) vs. two photon (TP) luminescence and selective guest adsorption behavior","Journal of Materials Chemistry","2012","22","19","9846","","10.1039/c2jm00001f","","","0.71073","MoKα","","0.1605","0.0975","","","0.2179","0.2618","","","","","","1.064","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207902","10.3673","0.0005","14.631","0.0008","9.1018","0.0005","90","","105.698","0.003","90","","1329.1","0.12","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N6 O2 -","- C12 H16 N6 O2 -","- C48 H64 N24 O8 -","4","1","","Bohlender, Carmen; Wolfram, Martin; Goerls, Helmar; Imhof, Wolfgang; Menzel, Roberto; Baumgaertel, Anja; Schubert, Ulrich S.; Mueller, Ulrike; Frigge, Martina; Schnabelrauch, Matthias; Wyrwa, Ralf; Schiller, Alexander","Light-triggered NO release from a nanofibrous non-woven","Journal of Materials Chemistry","2012","22","18","8785","","10.1039/c2jm15410b","","","0.71073","MoKα","","0.0758","0.0426","","","0.0952","0.1098","","","","","","0.956","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207903","11.4171","0.0007","11.8541","0.0009","12.1504","0.0009","81.797","0.004","73.957","0.005","75.363","0.005","1524.4","0.19","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N6 O2 -","- C16 H16 N6 O2 -","- C64 H64 N24 O8 -","4","2","","Bohlender, Carmen; Wolfram, Martin; Goerls, Helmar; Imhof, Wolfgang; Menzel, Roberto; Baumgaertel, Anja; Schubert, Ulrich S.; Mueller, Ulrike; Frigge, Martina; Schnabelrauch, Matthias; Wyrwa, Ralf; Schiller, Alexander","Light-triggered NO release from a nanofibrous non-woven","Journal of Materials Chemistry","2012","22","18","8785","","10.1039/c2jm15410b","","","0.71073","MoKα","","0.123","0.0538","","","0.1061","0.1295","","","","","","0.957","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207904","8.0329","0.0007","10.7389","0.0007","12.3584","0.0009","91.756","0.006","97.964","0.004","104.935","0.005","1017.69","0.14","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Cl N8 O3 Ru -","- C18 H17 Cl N8 O3 Ru -","- C36 H34 Cl2 N16 O6 Ru2 -","2","1","","Bohlender, Carmen; Wolfram, Martin; Goerls, Helmar; Imhof, Wolfgang; Menzel, Roberto; Baumgaertel, Anja; Schubert, Ulrich S.; Mueller, Ulrike; Frigge, Martina; Schnabelrauch, Matthias; Wyrwa, Ralf; Schiller, Alexander","Light-triggered NO release from a nanofibrous non-woven","Journal of Materials Chemistry","2012","22","18","8785","","10.1039/c2jm15410b","","","0.71073","MoKα","","0.0867","0.0511","","","0.0971","0.1104","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207905","12.1","0.003","26.162","0.004","26.162","0.003","90","","90","","90","","8282","3","291","2","291","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H28 Cu4 O24 -","- C37 H28 Cu4 O24 -","- C148 H112 Cu16 O96 -","4","0.5","","Xue, Yun-Shan; He, Yabing; Ren, Shi-Bin; Yue, Yanfeng; Zhou, Le; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng; Chen, Banglin","A robust microporous metal‒organic framework constructed from a flexible organic linker for acetylene storage at ambient temperature","Journal of Materials Chemistry","2012","22","20","10195","","10.1039/c2jm15538a","","","0.71073","MoKα","","0.0627","0.0468","","","0.1129","0.12","","","","","","1.069","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207906","19.357","0.002","19.357","0.002","19.357","0.002","90","","90","","90","","7252.9","1.3","200","2","200","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cd4 Cl N32 O4 -","- C24 H8 Cd4 Cl N32 O4 -","- C72 H24 Cd12 Cl3 N96 O12 -","3","0.0625","","Biswas, Shyam; Maes, Michael; Dhakshinamoorthy, Amarajothi; Feyand, Mark; De Vos, Dirk E.; Garcia, Hermenegildo; Stock, Norbert","Fuel purification, Lewis acid and aerobic oxidation catalysis performed by a microporous Co-BTT (BTT3− = 1,3,5-benzenetristetrazolate) framework having coordinatively unsaturated sites","Journal of Materials Chemistry","2012","22","20","10200","","10.1039/c2jm15592c","","","0.71073","MoKα","","0.0548","0.0406","","","0.1007","0.1058","","","","","","1.142","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207907","18.739","0.002","18.739","0.002","18.739","0.002","90","","90","","90","","6580.2","1.2","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl Co4 N32 O4 -","- C24 H8 Cl Co4 N32 O4 -","- C72 H24 Cl3 Co12 N96 O12 -","3","0.0625","","Biswas, Shyam; Maes, Michael; Dhakshinamoorthy, Amarajothi; Feyand, Mark; De Vos, Dirk E.; Garcia, Hermenegildo; Stock, Norbert","Fuel purification, Lewis acid and aerobic oxidation catalysis performed by a microporous Co-BTT (BTT3− = 1,3,5-benzenetristetrazolate) framework having coordinatively unsaturated sites","Journal of Materials Chemistry","2012","22","20","10200","","10.1039/c2jm15592c","","","0.71073","MoKα","","0.0803","0.0782","","","0.2359","0.2379","","","","","","1.251","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207908","14.3035","0.0003","14.3035","0.0003","15.9627","0.0006","90","","90","","90","","3265.81","0.16","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H46 N4 O8 Zn -","- C32 H46 N4 O8 Zn -","- C128 H184 N16 O32 Zn4 -","4","0.5","","Huang, Qian; Cai, Jianfeng; Wu, Hui; He, Yabing; Chen, Banglin; Qian, Guodong","A robust microporous metal‒organic framework constructed from a flexible organic linker for highly selective sorption of methanol over ethanol and water","Journal of Materials Chemistry","2012","22","20","10352","","10.1039/c2jm15604k","","","0.71073","MoKα","","0.0648","0.0616","","","0.1256","0.127","","","","","","1.194","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207909","14.4835","0.0012","14.4835","","15.4118","0.0016","90","","90","","90","","3233","0.4","298","","298","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H38 N4 O6 Zn -","- C30 H38 N4 O6 Zn -","- C120 H152 N16 O24 Zn4 -","4","0.5","","Huang, Qian; Cai, Jianfeng; Wu, Hui; He, Yabing; Chen, Banglin; Qian, Guodong","A robust microporous metal‒organic framework constructed from a flexible organic linker for highly selective sorption of methanol over ethanol and water","Journal of Materials Chemistry","2012","22","20","10352","","10.1039/c2jm15604k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.11546","","4.91","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207910","16.5428","0.0004","16.5428","0.0004","24.3988","0.0015","90","","90","","120","","5782.5","0.4","296","2","296","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C27 H15 La O7 -","- C27 H15 La O7 -","- C162 H90 La6 O42 -","6","0.5","","Mu, Bin; Li, Feng; Huang, Yougui; Walton, Krista S.","Breathing effects of CO2 adsorption on a flexible 3D lanthanide metal‒organic framework","Journal of Materials Chemistry","2012","22","20","10172","","10.1039/c2jm15721g","","","1.54178","CuKα","","0.0565","0.055","","","0.1508","0.1522","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207911","10.073","0.005","34.113","0.017","6.791","0.003","90","","113.866","0.007","90","","2134","1.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ZnTBC","","","- C8 H4 N4 O2 Zn -","- C8 H4 N4 O2 Zn -","- C64 H32 N32 O16 Zn8 -","8","1","","Wei, Qiang; Yang, Dali; Larson, Toti Eric; Kinnibrugh, Tiffany L.; Zou, Ruqiang; Henson, Neil J.; Timofeeva, Tatiana; Xu, Hongwu; Zhao, Yusheng; Mattes, Benjamin R.","Kinetic hysteresis in gas adsorption behavior for a rigid MOF arising from zig-zag channel structures","Journal of Materials Chemistry","2012","22","20","10166","","10.1039/c2jm15860d","","","0.71073","MoKα","","0.1289","0.1119","","","0.2343","0.2429","","","","","","1.259","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207912","6.791","0.003","9.604","0.004","17.722","0.01","101.826","0.01","96.5","0.01","106.425","0.007","1067","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","ZnTBC","","","- C16 H8 N8 O6.3 Zn2 -","- C16 H8 N8 O6.3 Zn2 -","- C32 H16 N16 O12.6 Zn4 -","2","1","","Wei, Qiang; Yang, Dali; Larson, Toti Eric; Kinnibrugh, Tiffany L.; Zou, Ruqiang; Henson, Neil J.; Timofeeva, Tatiana; Xu, Hongwu; Zhao, Yusheng; Mattes, Benjamin R.","Kinetic hysteresis in gas adsorption behavior for a rigid MOF arising from zig-zag channel structures","Journal of Materials Chemistry","2012","22","20","10166","","10.1039/c2jm15860d","","","0.71073","MoKα","","0.1311","0.1051","","","0.2687","0.2864","","","","","","1.04","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207913","18.401","0.001","18.401","0.001","44.057","0.003","90","","90","","120","","12919","1.3","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H12.25 O14 Zn4.13 -","- C25.5 H12.255 O14 Zn4.125 -","- C306 H147.06 O168 Zn49.5 -","12","0.333333","","Yao, Qingxia; Su, Jie; Cheung, Ocean; Liu, Qingling; Hedin, Niklas; Zou, Xiaodong","Interpenetrated metal‒organic frameworks and their uptake of CO2 at relatively low pressures","Journal of Materials Chemistry","2012","22","20","10345","","10.1039/c2jm15933c","","","0.71073","MoKα","","0.1143","0.089","","","0.2153","0.2308","","","","","","1.098","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207914","18.6086","0.0008","20.2422","0.0007","20.8135","0.0007","70.421","0.003","68.955","0.003","68.031","0.004","6600.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H50 N O31.7 Zn8 -","- C75 H49 N O31.7 Zn8 -","- C150 H98 N2 O63.4 Zn16 -","2","1","","Yao, Qingxia; Su, Jie; Cheung, Ocean; Liu, Qingling; Hedin, Niklas; Zou, Xiaodong","Interpenetrated metal‒organic frameworks and their uptake of CO2 at relatively low pressures","Journal of Materials Chemistry","2012","22","20","10345","","10.1039/c2jm15933c","","","0.71073","MoKα","","0.0916","0.059","","","0.1616","0.1745","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207915","18.377","0.0006","17.3043","0.0004","17.9565","0.0005","90","","90","","90","","5710.2","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C33 H24 N O15 Zn4 -","- C33 H24 N O15 Zn4 -","- C132 H96 N4 O60 Zn16 -","4","0.5","","Yao, Qingxia; Su, Jie; Cheung, Ocean; Liu, Qingling; Hedin, Niklas; Zou, Xiaodong","Interpenetrated metal‒organic frameworks and their uptake of CO2 at relatively low pressures","Journal of Materials Chemistry","2012","22","20","10345","","10.1039/c2jm15933c","","","0.71073","MoKα","","0.0738","0.0545","","","0.1828","0.1937","","","","","","1.086","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207916","17.2914","0.0014","21.5371","0.0018","21.8259","0.0018","112.183","0.0015","98.9048","0.0015","108.721","0.0015","6766.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.06 H46.64 B2 F24 O5.26 S4 -","- C67.056 H46.64 B2 F24 O5.264 S4 -","- C268.224 H186.56 B8 F96 O21.056 S16 -","4","2","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0884","0.0485","","","0.1226","0.1484","","","","","","1.055","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207917","19.019","0.004","8.5496","0.0016","18.248","0.003","90","","106.965","0.004","90","","2838.1","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 B O4 S4 -","- C34 H30 B O4 S4 -","- C136 H120 B4 O16 S16 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0468","0.0345","","","0.0865","0.0933","","","","","","1.02","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207918","19.171","0.003","8.6743","0.0015","18.273","0.003","90","","106.829","0.003","90","","2908.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 B O4 S4 -","- C34 H30 B O4 S4 -","- C136 H120 B4 O16 S16 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0713","0.0434","","","0.1034","0.1166","","","","","","1.024","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207919","27.3177","0.0007","21.9323","0.0006","18.558","0.0005","90","","116.751","0.0004","90","","9928.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B O4 S4 -","- C38 H38 B O4 S4 -","- C456 H456 B12 O48 S48 -","12","1.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0389","0.0297","","","0.0819","0.0869","","","","","","1.012","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207920","9.3401","0.0002","22.0917","0.0006","16.6081","0.0004","90","","92.7623","0.0004","90","","3422.91","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B O4 S4 -","- C38 H38 B O4 S4 -","- C152 H152 B4 O16 S16 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0524","0.04","","","0.1097","0.1214","","","","","","1.022","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207921","6.5672","0.0004","8.5035","0.0006","9.6637","0.0006","90","","101.351","0.004","90","","529.11","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 Ba3 F2 O11 -","- B6 Ba3 F2 O11 -","- B12 Ba6 F4 O22 -","2","1","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Su, Xin; Zhang, Fangfang","A novel deep UV nonlinear optical crystal Ba3B6O11F2, with a new fundamental building block, B6O14 group","Journal of Materials Chemistry","2012","22","19","9665","","10.1039/c2jm16058g","","","0.71073","MoKα","","0.0263","0.0259","","","0.0632","0.0637","","","","","","1.056","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207922","31.748","0.001","9.875","0.001","7.028","0.002","90","","91.53","0.04","90","","2202.6","0.7","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 O5 V -","- C30 H18 O5 V -","- C120 H72 O20 V4 -","4","0.5","","Djerdj, Igor; Popović, Jasminka; Stare, Jernej; Ambrožič, Gabriela; Škapin, Srečo D.; Kozlevčar, Bojan; Pajić, Damir; Jagličić, Zvonko; Orel, Zorica Crnjak","Nanocrystalline hybrid inorganic‒organic one-dimensional chain systems tailored with 2- and 3-phenyl ring monocarboxylic acids","Journal of Materials Chemistry","2012","22","20","10255","","10.1039/c2jm16213j","powder diffraction","","1.54056","CuKα","","","","","","","","","10.7891","","","","","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207923","10.0875","0.0015","25.41","0.004","6.831","0.002","90","","90","","90","","1750.9","0.6","293","","293","","","","","","","","","4","P 21 c n","P -2n 2a","33","","","","- C22 H14 O5 V -","- C22 H14 O5 V -","- C88 H56 O20 V4 -","4","1","","Djerdj, Igor; Popović, Jasminka; Stare, Jernej; Ambrožič, Gabriela; Škapin, Srečo D.; Kozlevčar, Bojan; Pajić, Damir; Jagličić, Zvonko; Orel, Zorica Crnjak","Nanocrystalline hybrid inorganic‒organic one-dimensional chain systems tailored with 2- and 3-phenyl ring monocarboxylic acids","Journal of Materials Chemistry","2012","22","20","10255","","10.1039/c2jm16213j","powder diffraction","","1.54056","CuKα","","","","","","","","","8.1267","","","","","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207924","12.335","0.004","12.335","0.004","5.265","0.003","90","0.005","90","0.005","90","0.005","801.1","0.6","100","2","100","2","","","","","","","synthesis as described","6","P 41","P 4w","76","","","","- C5 H9 Co N O6 S -","- C5 H7 Co N O5.5 S -","- C20 H28 Co4 N4 O22 S4 -","4","1","","Rossin, Andrea; Di Credico, Barbara; Giambastiani, Giuliano; Peruzzini, Maurizio; Pescitelli, Gennaro; Reginato, Gianna; Borfecchia, Elisa; Gianolio, Diego; Lamberti, Carlo; Bordiga, Silvia","Synthesis, characterization and CO2 uptake of a chiral Co(ii) metal‒organic framework containing a thiazolidine-based spacer","Journal of Materials Chemistry","2012","22","20","10335","","10.1039/c2jm16236a","","x-ray","0.71069","MoKα","","0.0333","0.028","","","0.061","0.0627","","","","","","0.996","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207925","23.5793","0.0002","18.6265","0.0001","30.1227","0.0002","90","","93.223","0.001","90","","13209","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C320 H140 N12 O136 Zn32 -","- C80 H35 N3 O34 Zn8 -","- C320 H140 N12 O136 Zn32 -","4","1","","Perry IV, John J.; Feng, Patrick L.; Meek, Scott T.; Leong, Kirsty; Doty, F. Patrick; Allendorf, Mark D.","Connecting structure with function in metal‒organic frameworks to design novel photo- and radioluminescent materials","Journal of Materials Chemistry","2012","22","20","10235","","10.1039/c2jm16627e","","","1.54184","CuKα","","0.1354","0.1318","","","0.3614","0.363","","","","","","1.111","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207926","12.4451","0.0004","20.361","0.0006","7.0378","0.0003","90","","101.38","0.004","90","","1748.28","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 4,6-Dimethoxy-3-phenyl-1H-indene-2-carboxylate","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.1526","0.0421","","","0.0776","0.0919","","","","","","0.744","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207927","12.466","0.004","19.438","0.006","7.173","0.003","90","","98.53","0.04","90","","1718.9","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 4,6-Dimethoxy-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.3231","0.1246","","","0.3005","0.3417","","","","","","0.838","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207928","31.289","0.005","8.588","0.005","27.715","0.005","90","","102.051","0.005","90","","7283","5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 O8 -","- C42 H40 O8 -","- C336 H320 O64 -","8","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.2308","0.0403","","","0.059","0.077","","","","","","0.624","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207929","11.3555","0.0006","13.2852","0.0007","15.0996","0.0008","114.224","0.005","98.647","0.004","107.133","0.004","1886.6","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H44 O9 -","- C43 H44 O8.5 -","- C86 H88 O17 -","2","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.1482","0.0554","","","0.1342","0.1524","","","","","","0.802","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207930","15.7773","0.0006","11.5001","0.0004","20.4105","0.0008","90","","90.792","0.003","90","","3702.9","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ethyl 4,5,6-Trimethoxy-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C21 H20 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.0695","0.0448","","","0.1179","0.1254","","","","","","1.027","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207931","19.246","0.003","23.211","0.005","17.018","0.002","90","","90","","90","","7602","2","293","2","293","2","","","","","","","","3","P n c a","-P 2a 2n","60","","","","- C44 H44 O10 -","- C44 H44 O10 -","- C352 H352 O80 -","8","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.3901","0.0552","","","0.0664","0.1096","","","","","","0.652","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207932","11.914","","18.91","","20.176","","63.59","","82.53","","74.28","","3918.62","","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 O10 -","- C44 H44 O10 -","- C176 H176 O40 -","4","2","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.1392","0.05","","","0.1121","0.1291","","","","","","0.799","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207933","13.9165","0.0002","12.2744","0.0002","14.511","0.0002","90","","100.017","0.002","90","","2440.94","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 N6 O2 S2 -","- C60 H48 N6 O2 S2 -","- C120 H96 N12 O4 S4 -","2","0.5","","Ting, Hao-Chun; Chen, You-Ming; You, Hong-Wei; Hung, Wen-Yi; Lin, Sheng-Hsun; Chaskar, Atul; Chou, Shu-Hua; Chi, Yun; Liu, Rai-Hsung; Wong, Ken-Tsung","Indolo[3,2-b]carbazole/benzimidazole hybrid bipolar host materials for highly efficient red, yellow, and green phosphorescent organic light emitting diodes","Journal of Materials Chemistry","2012","22","17","8399","","10.1039/c2jm30207a","","","1.54178","CuKα","","0.073","0.0573","","","0.1689","0.1784","","","","","","1.256","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207934","9.3415","0.0006","10.0537","0.0007","11.5245","0.0009","106.117","0.007","99.662","0.006","93.529","0.005","1018.35","0.13","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H36 N6 -","- C56 H36 N6 -","- C56 H36 N6 -","1","0.5","","Ting, Hao-Chun; Chen, You-Ming; You, Hong-Wei; Hung, Wen-Yi; Lin, Sheng-Hsun; Chaskar, Atul; Chou, Shu-Hua; Chi, Yun; Liu, Rai-Hsung; Wong, Ken-Tsung","Indolo[3,2-b]carbazole/benzimidazole hybrid bipolar host materials for highly efficient red, yellow, and green phosphorescent organic light emitting diodes","Journal of Materials Chemistry","2012","22","17","8399","","10.1039/c2jm30207a","","","1.54178","CuKα","","0.0617","0.047","","","0.1332","0.1538","","","","","","1.001","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207935","18.037","0.002","24.308","0.003","6.9817","0.0009","90","","90","","90","","3061.1","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C29 H28 Er N O10 -","- C26 H15 Er O9 -","- C104 H60 Er4 O36 -","4","0.5","","Dang, Song; Zhang, Jian-Han; Sun, Zhong-Ming","Tunable emission based on lanthanide(iii) metal‒organic frameworks: an alternative approach to white light","Journal of Materials Chemistry","2012","22","18","8868","","10.1039/c2jm30389b","","","0.71073","MoKα","","0.0274","0.0253","","","0.0616","0.0625","","","","","","1.077","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207936","18.0366","0.001","24.1755","0.0013","6.9866","0.0004","90","","90","","90","","3046.5","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C29 H28 N O10 Y -","- C26 H15 O9 Y -","- C104 H60 O36 Y4 -","4","0.5","","Dang, Song; Zhang, Jian-Han; Sun, Zhong-Ming","Tunable emission based on lanthanide(iii) metal‒organic frameworks: an alternative approach to white light","Journal of Materials Chemistry","2012","22","18","8868","","10.1039/c2jm30389b","","","0.71073","MoKα","","0.056","0.0489","","","0.1217","0.1255","","","","","","1.084","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207937","11.8193","0.0013","11.9602","0.0013","12.5652","0.0014","101.79","0.001","92.784","0.001","112.516","0.001","1590.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 Cd N5 O9 -","- C30 H35 Cd N5 O9 -","- C60 H70 Cd2 N10 O18 -","2","1","","Chen, Cheng-Xia; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Encapsulation of Ln3+ hydrate species for tunable luminescent materials based on a porous Cd(ii)-MOF","Journal of Materials Chemistry","2012","22","18","9027","","10.1039/c2jm30419h","","","0.71073","MoKα","","0.0372","0.0351","","","0.0929","0.0949","","","","","","1.064","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207938","8.9084","0.0018","7.2253","0.0018","9.172","0.003","90","","95.55","0.03","90","","587.6","0.3","383","2","383","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H11 Cl N O4 -","- C9 H11 Cl N O4 -","- C18 H22 Cl2 N2 O8 -","2","0.5","","Zhang, Yi; Awaga, Kunio; Yoshikawa, Hirofumi; Xiong, Ren-Gen","Ferroelastic phase transition and dielectric anomalies in 2,4,6-trimethylanilinium perchlorate","Journal of Materials Chemistry","2012","22","19","9841","","10.1039/c2jm30581j","","","0.71073","MoKα","","0.0806","0.063","","","0.213","0.2401","","","","","","0.97","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207939","7.1581","0.0014","8.5937","0.0017","9.0642","0.0018","88.74","0.03","79.19","0.03","87.02","0.03","546.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Cl N O4 -","- C9 H14 Cl N O4 -","- C18 H28 Cl2 N2 O8 -","2","1","","Zhang, Yi; Awaga, Kunio; Yoshikawa, Hirofumi; Xiong, Ren-Gen","Ferroelastic phase transition and dielectric anomalies in 2,4,6-trimethylanilinium perchlorate","Journal of Materials Chemistry","2012","22","19","9841","","10.1039/c2jm30581j","","","0.71073","MoKα","","0.0979","0.079","","","0.2001","0.2151","","","","","","1.076","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207940","5.0378","0.0001","5.2691","0.0001","8.8985","0.0002","90","","90","","90","","236.208","0.008","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Mg Mo O6 Te -","- Mg Mo O6 Te -","- Mg2 Mo2 O12 Te2 -","2","0.5","","Zhang, Junjie; Zhang, Zhonghan; Sun, Youxuan; Zhang, Chengqian; Zhang, Shaojun; Liu, Yang; Tao, Xutang","MgTeMoO6: A neutral layered material showing strong second-harmonic generation","Journal of Materials Chemistry","2012","22","19","9921","","10.1039/c2jm30953j","","","0.71073","MoKα","","0.015","0.0149","","","0.0372","0.0373","","","","","","1.043","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207941","7.778","0.004","13.275","0.007","16.678","0.008","81.622","0.01","86.283","0.012","88.301","0.014","1699.7","1.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cu3 N5 O12 -","- C32 H23 Cu3 N5 O12 -","- C64 H46 Cu6 N10 O24 -","2","1","","Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun","Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network","CrystEngComm","2012","14","12","4181","","10.1039/c2ce00004k","","","0.71073","MoKα","","0.0495","0.0412","","","0.1127","0.1206","","","","","","1.046","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207942","23.039","0.002","8.756","0.0006","21.7481","0.0019","90","","109.477","0.005","90","","4136.2","0.6","293.15","","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28.5 H22.5 Cu2 N4.5 O13.5 -","- C28.5 H22.5 Cu2 N4.5 O13.5 -","- C114 H90 Cu8 N18 O54 -","4","1","","Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun","Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network","CrystEngComm","2012","14","12","4181","","10.1039/c2ce00004k","","","0.71073","MoKα","","0.0785","0.0678","","","0.1918","0.2056","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207943","9.35","0.002","9.826","0.002","26.846","0.007","80.603","0.005","86.257","0.005","75.615","0.005","2356.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 N3 O6 -","- C20 H37 N3 O6 -","- C80 H148 N12 O24 -","4","2","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Luminescent nanoparticles from tripeptide‒CdS conjugate","CrystEngComm","2012","14","11","4034","","10.1039/c2ce05786g","","","0.71073","MoKα","","0.1415","0.0998","","","0.2467","0.2779","","","","","","1.036","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207944","9.3487","0.0008","24.295","0.003","9.7998","0.0011","90","","102.135","0.003","90","","2176.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N3 O6 -","- C18 H33 N3 O6 -","- C72 H132 N12 O24 -","4","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Luminescent nanoparticles from tripeptide‒CdS conjugate","CrystEngComm","2012","14","11","4034","","10.1039/c2ce05786g","","","0.71073","MoKα","","0.0893","0.0601","","","0.1761","0.2076","","","","","","0.867","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207945","10.687","0.002","12.122","0.002","15.549","0.003","90","","90","","90","","2014.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0919","0.0471","","","0.0836","0.0976","","","","","","1.006","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207946","10.6982","0.0008","12.1633","0.0009","15.7632","0.0012","90","","90","","90","","2051.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl N O -","- C25 H22 Cl N O -","- C100 H88 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0922","0.049","","","0.0887","0.102","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207947","10.6828","0.0006","12.1716","0.0007","15.9646","0.0009","90","","90","","90","","2075.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O -","- C25 H22 Br N O -","- C100 H88 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0552","0.0356","","","0.0666","0.0707","","","","","","0.898","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207948","8.2095","0.0005","14.0391","0.0008","19.7711","0.0012","90","","90","","90","","2278.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 F N O -","- C29 H24 F N O -","- C116 H96 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0662","0.046","","","0.0994","0.108","","","","","","1.032","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207949","10.752","0.0007","13.373","0.0017","16.005","0.003","90","","90","","90","","2301.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O -","- C29 H24 Cl N O -","- C116 H96 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1217","0.0579","","","0.0968","0.1191","","","","","","1.062","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207950","10.783","0.0005","13.494","0.0019","15.938","0.002","90","","90","","90","","2319.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br N O -","- C29 H24 Br N O -","- C116 H96 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1258","0.0517","","","0.1021","0.1264","","","","","","1.088","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207951","15.51","0.003","15.661","0.003","17.891","0.004","90","","90","","90","","4345.8","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C208 H200 N8 O16 -","8","2","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1532","0.0499","","","0.0849","0.1114","","","","","","0.931","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207952","13.006","0.0013","13.637","0.0014","14.104","0.0015","79.971","0.0017","64.389","0.0015","71.276","0.0015","2134.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H33 N2 O18 Zn3 -","- C45 H33 N2 O18 Zn3 -","- C90 H66 N4 O36 Zn6 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.1262","0.0629","","","0.126","0.1682","","","","","","1.065","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207953","10.005","0.002","11.303","0.003","12.206","0.003","100.797","0.003","107.308","0.004","98.944","0.004","1261.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cd N4 O6 -","- C28 H24 Cd N4 O6 -","- C56 H48 Cd2 N8 O12 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.0864","0.0558","","","0.1265","0.1411","","","","","","1.002","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207954","9.361","0.0019","12.713","0.0019","12.755","0.003","111.843","0.002","105.938","0.002","97.104","0.002","1310.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N4 O8 -","- C26 H20 Cd N4 O8 -","- C52 H40 Cd2 N8 O16 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.1223","0.0611","","","0.0947","0.1074","","","","","","1.007","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207955","39.477","0.012","21.751","0.006","26.908","0.015","90","","131.554","0.002","90","","17290","12","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138 H132 Cl Cs N64 O59 -","- C138 H132 Cl Cs N64 O59 -","- C552 H528 Cl4 Cs4 N256 O236 -","4","0.5","","Chen, Kai; Liang, Li-Li; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","p-Hydroxybenzoic acid-induced formation of a novel framework based on direct coordination of caesium ions to cucurbit[8]uril","CrystEngComm","2012","14","11","3862","","10.1039/c2ce06505c","","","0.71073","MoKα","","0.1334","0.1089","","","0.3201","0.3432","","","","","","1.377","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207956","12.9555","0.0002","22.6337","0.0004","20.6389","0.0004","90","","94.147","0.002","90","","6036.12","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 N19 O23 Tb -","- C60 H42 N19 O23 Tb -","- C240 H168 N76 O92 Tb4 -","4","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","0.71073","MoKα","","0.0421","0.0352","","","0.0816","0.0855","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207957","19.5224","0.0003","19.5224","0.0003","8.4283","0.0002","90","","90","","120","","2781.87","0.09","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 N5.83 O5.17 Tb0.5 -","- C16 H15 N5.83333 O5.16667 Tb0.5 -","- C96 H90 N35 O31 Tb3 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0491","0.0425","","","0.114","0.118","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207958","17.3716","0.0006","17.3716","0.0006","39.5287","0.0016","90","","90","","120","","10330.5","0.7","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 Eu2 N19 O21.5 -","- C48 H45 Eu2 N19 O21.51 -","- C288 H270 Eu12 N114 O129.06 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0838","","","0.207","0.2139","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207959","12.986","0.0002","22.6333","0.0004","20.6359","0.0003","90","","94.335","0.002","90","","6047.87","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 Eu N19 O23 -","- C60 H42 Eu N19 O23 -","- C240 H168 Eu4 N76 O92 -","4","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","0.71073","MoKα","","0.0441","0.0361","","","0.0814","0.0857","","","","","","1.032","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207960","19.5543","0.0004","19.5543","0.0004","8.4847","0.0003","90","","90","","120","","2809.65","0.13","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 Eu0.5 N5.83 O5.17 -","- C16 H15 Eu0.5 N5.83333 O5.16667 -","- C96 H90 Eu3 N35 O31 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.1286","0.1237","","","0.2792","0.2821","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207961","17.3754","0.0007","17.3754","0.0007","39.4344","0.0019","90","","90","","120","","10310.4","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 N19 O21.5 Tb2 -","- C48 H40.5 N19 O21.5 Tb2 -","- C288 H243 N114 O129 Tb12 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0732","","","0.1825","0.1936","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207962","11.1502","0.0003","13.5449","0.0002","14.6921","0.0002","113.808","0.001","101.505","0.001","100.238","0.001","1904.99","0.07","151","2","151","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 N6 Ni O7 -","- C44 H31 N6 Ni O7 -","- C88 H62 N12 Ni2 O14 -","2","1","","Ke, Chun-Hung; Lee, Hon Man","Nickel coordination polymers with {48.62} and bnn topologies constructed from common square-pyramidal 5-connected nodes","CrystEngComm","2012","14","12","4157","","10.1039/c2ce06634c","","x-ray","0.71073","MoKα","","0.0571","0.0464","","","0.1122","0.1216","","","","","","0.975","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207963","9.2237","0.0018","11.182","0.002","19.434","0.005","99.623","0.018","94.382","0.019","114.218","0.012","1778.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 N12 Ni2 O17 S2 -","- C76 H56 N12 Ni2 O17 S2 -","- C76 H56 N12 Ni2 O17 S2 -","1","0.5","","Ke, Chun-Hung; Lee, Hon Man","Nickel coordination polymers with {48.62} and bnn topologies constructed from common square-pyramidal 5-connected nodes","CrystEngComm","2012","14","12","4157","","10.1039/c2ce06634c","","x-ray","0.71073","MoKα","","0.1226","0.057","","","0.129","0.1592","","","","","","0.938","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207964","19.3929","0.001","12.5914","0.0006","7.589","0.0003","90","","107.013","0.002","90","","1772.02","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O5 -","- C6 H2 Cu2 N2 O5 -","- C48 H16 Cu16 N16 O40 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0918","0.0697","","","0.1771","0.1991","","","","","","0.997","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207965","19.3848","0.0004","12.5209","0.0002","7.7134","0.0002","90","","107.822","0.001","90","","1782.32","0.07","455","2","455","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O4 -","- C6 H2 Cu2 N2 O4 -","- C48 H16 Cu16 N16 O32 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0942","0.0764","","","0.1746","0.1834","","","","","","1.578","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207966","19.4082","0.0004","12.5929","0.0002","7.5885","0.0002","90","","107.034","0.001","90","","1773.31","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O4.83 -","- C6 H2 Cu2 N2 O4.83 -","- C48 H16 Cu16 N16 O38.64 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0813","0.0695","","","0.1625","0.1714","","","","","","1.086","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207967","11.3426","0.0002","9.4653","0.0002","11.4987","0.0003","90","","102.212","0.002","90","","1206.58","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl N2 O8 -","- C9 H9 Cl N2 O7.812 -","- C36 H36 Cl4 N8 O31.248 -","4","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","1.54184","CuKα","","0.084","0.0832","","","0.2127","0.2133","","","","","","1.064","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207968","8.1069","0.0016","9.2546","0.0019","9.999","0.002","64.91","0.03","74.11","0.03","69.67","0.03","630","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N2 O5 -","- C10 H10 Cl N2 O5 -","- C20 H20 Cl2 N4 O10 -","2","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","0.71073","MoKα","","0.0842","0.0775","","","0.1904","0.1946","","","","","","1.079","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207969","6.8215","0.0014","11.724","0.002","11.57","0.002","90","","103.04","0.03","90","","901.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H15 Cl N4 O7 -","- C18 H14 Cl N4 O7 -","- C36 H28 Cl2 N8 O14 -","2","0.5","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","0.71073","MoKα","","0.2046","0.1628","","","0.4625","0.4937","","","","","","1.698","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207970","25.804","0.004","9.7779","0.0006","18.861","0.01","90","","136.399","0.012","90","","3282","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N8 O9 Zn -","- C30 H36 N8 O9 Zn -","- C120 H144 N32 O36 Zn4 -","4","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0797","0.0681","","","0.2273","0.2404","","","","","","1.091","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207971","25.876","0.008","9.8293","0.0008","17.814","0.003","90","","133.12","0.03","90","","3307","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cd N8 O9 -","- C30 H36 Cd N8 O9 -","- C120 H144 Cd4 N32 O36 -","4","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0412","0.0344","","","0.0889","0.0923","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207972","12.5528","0.0006","10.2544","0.0004","15.8665","0.0011","90","","120.961","0.004","90","","1751.36","0.18","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl2 N8 O7 Zn2 -","- C30 H32 Cl2 N8 O7 Zn2 -","- C60 H64 Cl4 N16 O14 Zn4 -","2","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.046","0.0366","","","0.0841","0.088","","","","","","1.037","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207973","8.8844","0.0004","10.4799","0.0005","17.2726","0.0007","90","","98.368","0.004","90","","1591.09","0.12","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C15 H13 Cd Cl N4 O2 -","- C15 H13 Cd Cl N4 O2 -","- C60 H52 Cd4 Cl4 N16 O8 -","4","1","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0767","0.0515","","","0.0751","0.0778","","","","","","2.137","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207974","21.3069","0.0015","10.2826","0.0007","17.8765","0.0012","90","","99.143","0.007","90","","3866.8","0.5","296","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cd N4 O4 -","- C21 H16 Cd N4 O4 -","- C168 H128 Cd8 N32 O32 -","8","1","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0517","0.0338","","","0.0656","0.0716","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207975","9.96","0.004","13.429","0.006","19.779","0.007","90","","111.794","0.017","90","","2456.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cd N5 O6 -","- C26 H21 Cd N5 O6 -","- C104 H84 Cd4 N20 O24 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.0647","0.0469","","","0.1585","0.1856","","","","","","1.174","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207976","18.181","0.005","22.175","0.005","18.45","0.005","90","","90","","90","","7438","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H72 Cd3 N12 O20 S2 -","- C70 H60 Cd3 N12 O20 S2 -","- C280 H240 Cd12 N48 O80 S8 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71069","MoKα","","0.0538","0.0426","","","0.1208","0.1288","","","","","","1.021","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207977","45.497","0.002","10.5235","0.0005","19.09","0.0009","90","","99.969","0.001","90","","9002.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 Co3 N16 O18 S2 -","- C88 H82 Co3 N16 O18 S2 -","- C352 H328 Co12 N64 O72 S8 -","4","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.0616","0.04","","","0.1016","0.1096","","","","","","1.09","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207978","9.3568","0.0008","15.2796","0.0014","9.5459","0.0009","90","","116.517","0.001","90","","1221.19","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H24 Co N4 O5 -","- C26 H22 Co N4 O5 -","- C52 H44 Co2 N8 O10 -","2","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.036","0.0301","","","0.0785","0.0817","","","","","","1.082","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7207979","13.419","0.003","14.427","0.003","10.793","0.002","90","","90.773","0.003","90","","2089.3","0.7","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 Ag N5 O4 -","- C19 H26 Ag N5 O4 -","- C76 H104 Ag4 N20 O16 -","4","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.047","0.0457","","","0.1252","0.1264","","","","","","1.138","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207980","13.9773","0.0008","13.9773","0.0008","18.263","0.002","90","","90","","120","","3089.9","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H13 Cu0.5 N2.5 O2 -","- C9 H13 Cu0.5 N2.5 O2 -","- C108 H156 Cu6 N30 O24 -","12","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.0515","0.0421","","","0.1163","0.1258","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207981","11.4823","0.0005","13.8691","0.0007","11.8073","0.0006","90","","113.293","0.0014","90","","1727.04","0.15","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 O8 S4 -","- C14 H11 O8 S4 -","- C56 H44 O32 S16 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0238","","","","0.0623","","","","","","1.055","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207982","10.9021","0.0005","29.581","0.0011","12.2738","0.0007","90","","94.688","0.0016","90","","3945","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 O14 S12 -","- C31 H21 O14 S12 -","- C124 H84 O56 S48 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0542","","","","0.0785","","","","","","1.074","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207983","12.084","0.003","20.891","0.004","15.674","0.004","90","","103.294","0.01","90","","3850.8","1.6","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C60 H41 O12 S32 -","- C60 H38 O12 S32 -","- C120 H76 O24 S64 -","2","0.5","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0319","","","","0.0815","","","","","","1.041","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207984","25.361","0.005","7.8374","0.0016","12.844","0.003","90","","90","","90","","2552.9","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H8 N16 O6 Pb4 -","- C16 H8 N16 O6 Pb4 -","- C64 H32 N64 O24 Pb16 -","4","1","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0341","0.0306","","","0.0643","0.0659","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207985","13.4523","0.001","13.4523","0.001","14.525","0.0014","90","","90","","90","","2628.5","0.4","293","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C16 H12 N16 O6 Pb4 -","- C16 H12 N16 O6 Pb4 -","- C64 H48 N64 O24 Pb16 -","4","0.25","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0927","0.0471","","","0.1109","0.1338","","","","","","1.072","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7207986","9.0277","0.0005","12.4356","0.0006","13.0643","0.0009","76.319","0.004","80.802","0.004","68.89","0.003","1324.9","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 I8 N2 Pb3 -","- C6 H12 I8 N2 Pb3 -","- C12 H24 I16 N4 Pb6 -","2","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.1093","0.0667","","","0.1793","0.2149","","","","","","0.972","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207987","7.9629","0.0003","14.8833","0.0006","21.0907","0.001","90","","96.165","0.003","90","","2485.09","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 I6 N2 O Pb2 -","- C8 H18 I6 N2 O Pb2 -","- C32 H72 I24 N8 O4 Pb8 -","4","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.0877","0.0447","","","0.1177","0.1364","","","","","","1.037","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207988","8.8807","0.0005","11.655","0.0007","14.2611","0.001","108.705","0.004","95.269","0.004","92.523","0.004","1387.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 I6 N2 O Pb2 -","- C10 H22 I6 N2 O Pb2 -","- C20 H44 I12 N4 O2 Pb4 -","2","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.1045","0.0476","","","0.0827","0.0935","","","","","","1.028","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207989","7.977","","8.818","","15.252","","88.62","","79.86","","76.96","","1028.72","","200","2","200","2","","","","","","","","5","P -1","-P 1","2","nictotinic acid monoethylene glycol monomethyl ether silver nitrate","","","- C18 H22 Ag N3 O9 -","- C18 H22 Ag N3 O9 -","- C36 H44 Ag2 N6 O18 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","","0.71073","MoKα","","0.1905","0.1445","","","0.3917","0.4215","","","","","","1","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207990","12.512","0.003","14.026","0.003","18.4","0.004","90","","90.63","0.03","90","","3228.9","1.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Triethylene glycol monomethyl ether nicotinate silver hexafluorophosphat","","","- C26 H38 Ag F6 N2 O10 P -","- C26 H38 Ag F6 N2 O10 P -","- C104 H152 Ag4 F24 N8 O40 P4 -","4","0.5","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","x-ray","0.71073","mokα","","0.0563","0.044","","","0.1039","0.1095","","","","","","1.079","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207991","8.6012","0.0017","9.789","0.002","15.478","0.003","80.6","0.03","85.47","0.03","66.02","0.03","1174.6","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","monoethylene glycol monomethylether silver triflate","","","- C19 H22 Ag F3 N2 O9 S -","- C19 H22 Ag F3 N2 O9 S -","- C38 H44 Ag2 F6 N4 O18 S2 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","","0.71073","MoKα","","0.0286","0.0235","","","0.054","0.0559","","","","","","1.034","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207992","6.9425","0.0014","14.521","0.003","15.221","0.003","65.67","0.03","85.39","0.03","89.13","0.03","1393.4","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","silver triflatre monomethyl diethylene glycol","","","- C23 H30 Ag F3 N2 O11 S -","- C23 H30 Ag F3 N2 O11 S -","- C46 H60 Ag2 F6 N4 O22 S2 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","x-ray","0.71073","MoKα","","0.1489","0.1309","","","0.3167","0.3281","","","","","","1.152","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207993","21.783","0.006","11.251","0.002","15.826","0.004","90","","130.55","0.004","90","","2947.1","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O8.5 Zn -","- C11 H15 N3 O8.5 Zn -","- C88 H120 N24 O68 Zn8 -","8","1","","Cui, Yan-Feng; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","An unusual three-dimensional coordination network formed by parallel polythreading of two-fold polycatenated (6,3) layers","CrystEngComm","2012","14","12","4161","","10.1039/c2ce25113b","","","0.71075","MoKα","","0.0781","0.0533","","","0.0944","0.1032","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207994","11.1937","0.0005","9.8578","0.0002","20.458","0.0009","90","","91.604","0.002","90","","2256.56","0.15","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C16 H48 Cu2 I5 O8 S8 Tb -","- C16 H48 Cu2 I5 O8 S8 Tb -","- C32 H96 Cu4 I10 O16 S16 Tb2 -","2","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.0669","0.0512","","0.1631","0.1348","0.1631","","","","","","0.9636","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207995","11.0023","0.0002","12.948","0.0002","17.0582","0.00029","79.5186","0.0011","73.0295","0.0011","73.5139","0.001","2215.66","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H56 Cu I4 N8 O8 Tb -","- C24 H56 Cu I4 N8 O8 Tb -","- C48 H112 Cu2 I8 N16 O16 Tb2 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.0387","0.0292","","0.0748","0.0625","0.0748","","","","","","0.9046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207996","10.8626","0.0005","11.9515","0.0005","18.3798","0.0008","86.195","0.003","87.561","0.003","87.005","0.003","2375.8","0.18","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H54 Cu I4 O9 S9 Tb -","- C18 H54 Cu I4 O9 S9 Tb -","- C36 H108 Cu2 I8 O18 S18 Tb2 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.0596","0.0519","","0.111","0.1004","0.111","","","","","","1.0253","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207997","19.474","0.001","18.597","0.001","12.222","0.002","90","","90","","90","","4426.3","0.8","110","","110","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C16 H48 I5 O8 S8 Tb -","- C16 H48 I5 O8 S8 Tb -","- C64 H192 I20 O32 S32 Tb4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.1141","0.1006","","0.1739","0.1689","0.1739","","","","","","1.0551","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207998","13.83","0.02","13.83","0.02","61.5","0.4","90","","90","","120","","10187","7","150","","150","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C18 H48 Cu9 I14 N6 O9 Tb -","- C18 H48 Cu9 I14 N6 O9 Tb -","- C108 H288 Cu54 I84 N36 O54 Tb6 -","6","0.166667","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.1156","0.0632","","0.1363","0.0709","0.0671","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207999","13.6447","0.0017","7.2706","0.0009","15.5079","0.0014","90","","122.524","0.007","90","","1297.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cu2 N4 O7 -","- C11 H8 Cu2 N4 O7 -","- C44 H32 Cu8 N16 O28 -","4","1","","Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]","CrystEngComm","2012","14","11","4027","","10.1039/c2ce25143d","","","0.71073","MoKα","","0.0664","0.0582","","","0.1484","0.1569","","","","","","1","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208000","10.603","0.002","12.39","0.003","12.774","0.003","80.25","0.03","70.91","0.03","67.35","0.03","1461.7","0.7","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H54 B2 Cu6 N16 O S10 W2 -","- C38 H54 B2 Cu6 N16 O S10 W2 -","- C38 H54 B2 Cu6 N16 O S10 W2 -","1","0.5","","Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]","CrystEngComm","2012","14","11","4027","","10.1039/c2ce25143d","","","0.71073","MoKα","","0.0445","0.0342","","","0.089","0.097","","","","","","0.629","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208001","5.8941","0.0012","14.565","0.003","22.299","0.005","90","","97.3","0.03","90","","1898.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Butterhof, Christian; Milius, Wolfgang; Breu, Josef","Co-crystallisation of benzoic acid with sodium benzoate: the significance of stoichiometry","CrystEngComm","2012","14","11","3945","","10.1039/c2ce25185j","","","0.71073","MoKα","","0.0791","0.0374","","","0.084","0.0947","","","","","","0.803","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208002","5.323","0.006","13.091","0.015","19.48","0.02","90","","91.18","0.03","90","","1357","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 La3 Li3 O32 W8 -","- Ba2 La3 Li3 O32 W8 -","- Ba4 La6 Li6 O64 W16 -","2","0.25","","Pan, Yu; Chen, Yujin; Lin, Yanfu; Gong, Xinghong; Huang, Jianhua; Luo, Zundu; Huang, Yidong","Structure, spectral properties and laser performance of Tm3±doped Li3Ba2La3(WO4)8 crystal","CrystEngComm","2012","14","11","3930","","10.1039/c2ce25190f","","","0.71073","MoKα","","0.038","0.0358","","","0.087","0.0946","","","","","","1.073","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208003","6.86","0.001","8.7768","0.0012","11.895","0.0016","78.96","0.002","82.287","0.002","80.2","0.002","688.84","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Nicotinamide hydrochloride base salt","","","- C12 H15 Cl N4 O3 -","- C12 H15 Cl N4 O3 -","- C24 H30 Cl2 N8 O6 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0418","0.0313","","","0.0809","0.0861","","","","","","1.018","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208004","8.8921","0.0012","5.775","0.0008","26.92","0.004","90","","95.899","0.003","90","","1375.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium hydrogen bis(naproxate) methanol solvate","","","- C30 H35 Na O8 -","- C30 H35 Na O8 -","- C60 H70 Na2 O16 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0497","0.0374","","","0.0903","0.0957","","","","","","1.037","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208005","8.5777","0.0012","5.8968","0.0008","16.506","0.002","90","","92.35","0.002","90","","834.19","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Naproxen sodium mono salt DMF solvate","","","- C17 H20 N Na O4 -","- C17 H20 N Na O4 -","- C34 H40 N2 Na2 O8 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0354","0.0315","","","0.0813","0.0837","","","","","","1.05","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208006","7.4527","0.0004","11.7415","0.0006","12.156","0.0006","90.262","0.001","103.354","0.001","103.308","0.001","1005.29","0.09","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cd5 N6 O22 -","- C32 H26 Cd5 N6 O22 -","- C32 H26 Cd5 N6 O22 -","1","0.5","","Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.","Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties","CrystEngComm","2012","14","12","4210","","10.1039/c2ce25264c","","","0.71073","MoKα","","0.0222","0.0203","","","0.0537","0.0547","","","","","","1.053","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208007","15.0607","0.0012","12.1512","0.001","16.2654","0.0013","90","","113.337","0.001","90","","2733.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cu2 N9 O8 -","- C28 H20 Cu2 N9 O8 -","- C112 H80 Cu8 N36 O32 -","4","1","","Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.","Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties","CrystEngComm","2012","14","12","4210","","10.1039/c2ce25264c","","","0.71073","MoKα","","0.083","0.0428","","","0.0934","0.1099","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208008","11.9088","0.0004","11.9088","0.0004","8.3166","0.0006","90","","90","","120","","1021.44","0.09","298","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0327","0.0315","","","0.0815","0.0826","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208009","11.9058","0.0007","11.9058","0.0007","8.3177","0.0011","90","","90","","120","","1021.06","0.16","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0281","0.0268","","","0.0646","0.0652","","","","","","1.308","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208010","11.8429","0.0011","11.8429","0.0011","8.2715","0.0014","90","","90","","120","","1004.7","0.2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0432","0.0404","","","0.0983","0.1005","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208011","11.9194","0.0006","11.9194","0.0006","8.3261","0.0011","90","","90","","120","","1024.43","0.15","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0326","0.0305","","","0.0728","0.0741","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208012","11.9329","0.0013","11.9329","0.0013","8.3384","0.0018","90","","90","","120","","1028.3","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0343","0.0313","","","0.0711","0.0728","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208013","11.9072","0.0005","11.9072","0.0005","8.3161","0.0006","90","","90","","120","","1021.1","0.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0254","0.0245","","","0.0647","0.0652","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208014","11.9175","0.0006","11.9175","0.0006","8.3253","0.0013","90","","90","","120","","1024","0.18","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.024","0.0226","","","0.0573","0.0578","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208015","11.9166","0.0004","11.9166","0.0004","8.3263","0.0004","90","","90","","120","","1023.97","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0268","0.0243","","","0.0592","0.06","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208016","11.9118","0.0004","11.9118","0.0004","8.326","0.0005","90","","90","","120","","1023.11","0.08","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0272","0.0237","","","0.0508","0.052","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208017","11.9109","0.0006","11.9109","0.0006","8.3215","0.0009","90","","90","","120","","1022.4","0.13","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0261","0.025","","","0.0595","0.0601","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208018","9.5545","0.0012","10.3457","0.0013","13.7876","0.0017","81.615","0.001","82.813","0.001","70.723","0.001","1268.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Zn2(dppip)2(bpy)(H2O)4)(dmf)(H2O)1.5","","","- C41 H60 N3 O22 P2 Zn2 -","- C41 H28 N3 O21.832 P2 Zn2 -","- C41 H28 N3 O21.832 P2 Zn2 -","1","0.5","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.1293","0.0788","","","0.1565","0.1709","","","","","","1.086","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208019","8.463","0.002","11.263","0.003","11.774","0.003","110.96","0.002","96.523","0.003","108.941","0.002","957.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","dizinc 4,4'-bipyridyl bis(3-etacarboxy-5-carboxylphoshonate trihydrate","dizinc 4,4'-bipyridyl bis(3-etacarboxy-5-carboxylphoshonate trihydrate","","- C16 H21 N O10 P Zn -","- C16 H21 N O10 P Zn -","- C32 H42 N2 O20 P2 Zn2 -","2","1","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0268","0.0262","","","0.0755","0.0759","","","","","","1.067","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208020","9.7414","0.0011","16.0486","0.0018","11.0596","0.0012","90","","95.446","0.001","90","","1721.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)","dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)","","- C13 H18 N O7 P Zn -","- C13 H18 N O7 P Zn -","- C52 H72 N4 O28 P4 Zn4 -","4","1","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0558","0.0379","","","0.088","0.0968","","","","","","1.068","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208021","5.136","0.0014","12.264","0.003","12.574","0.003","69.555","0.003","79.414","0.003","82.245","0.003","727.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Zn2(H2pip)2(bpy))2(H2O)","","","- C26 H22 N2 O16 P2 Zn2 -","- C26 H18 N2 O16 P2 Zn2 -","- C26 H18 N2 O16 P2 Zn2 -","1","0.5","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0687","0.0384","","","0.0903","0.0976","","","","","","1.036","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208022","5.728","0.003","8.033","0.003","24.575","0.006","90","","94.02","0.03","90","","1128","0.8","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C40 H60 N12 O12 -","4","1","","Szemik-Hojniak, A; Wiśniewski, Lukasz; Deperasińska, Irena; Makarewicz, Artur; Jerzykiewicz, Lucjan; Puszko, Aniela; Erez, Yuval; Huppert, Dan","The impact of solvent polarity on intramolecular proton and electron transfer in 2-alkylamino-4-nitro-5-methyl pyridine N-oxides.","Physical chemistry chemical physics : PCCP","2012","14","22","8147","8159","10.1039/c2cp40591a","","","0.71073","MoKα","","0.0748","0.057","","","0.14","0.1206","","","","","","1.234","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208023","7.5369","0.0007","10.941","0.0009","16.6813","0.0016","90","","102.521","0.004","90","","1342.8","0.2","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Brogaard, Rasmus Y.; Schalk, Oliver; Boguslavskiy, Andrey E.; Enright, Gary D.; Hopf, Henning; Raev, Vitaly; Tarcoveanu, Eliza; Sølling, Theis I.; Stolow, Albert","The Paternò‒Büchi reaction: importance of triplet states in the excited-state reaction pathway","Physical Chemistry Chemical Physics","2012","14","24","8572","","10.1039/c2cp40819h","","","0.71073","MoKα","","0.0762","0.0598","","","0.1669","0.1772","","","","","","1.057","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208024","4.25566","0.0001","10.2167","0.0002","12.2711","0.0003","90","","90","","90","","533.53","0.02","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane","","- C5 H6 O4 -","- C5 H6 O4 -","- C20 H24 O16 -","4","1","","Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel","Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups","Green Chemistry","2012","14","6","1749","","10.1039/c2gc35265f","","","1.5418","CuKα","","0.0236","0.0225","","","0.0574","0.0587","","","","","","1.062","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208025","7.9412","0.0002","10.0129","0.0003","10.831","0.0003","90","","90","","90","","861.22","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-(1,3-dioxolan-2-one-4-yl)-2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane","","- C8 H8 O7 -","- C8 H8 O7 -","- C32 H32 O28 -","4","1","","Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel","Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups","Green Chemistry","2012","14","6","1749","","10.1039/c2gc35265f","","","0.71073","MoKα","","0.0317","0.0276","","","0.0608","0.0632","","","","","","1.059","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208026","12.3979","0.0002","19.2597","0.0004","13.7144","0.0003","90","","94.1952","0.001","90","","3265.95","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 F6 N6 Os P2 -","- C32 H30 F6 N6 Os P2 -","- C128 H120 F24 N24 Os4 P8 -","4","1","","Lin, Cheng-Huei; Hsu, Che-Wei; Liao, Jia-Ling; Cheng, Yi-Ming; Chi, Yun; Lin, Tsung-Yi; Chung, Min-Wen; Chou, Pi-Tai; Lee, Gene-Hsiang; Chang, Chih-Hao; Shih, Chin-Yao; Ho, Chi-Lung","Phosphorescent OLEDs assembled using Os(ii) phosphors and a bipolar host material consisting of both carbazole and dibenzophosphole oxide","Journal of Materials Chemistry","2012","22","21","10684","","10.1039/c2jm16674g","","","0.71073","MoKα","","0.0646","0.043","","","0.1104","0.1173","","","","","","1.068","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208027","8.1571","0.0004","16.5407","0.0009","33.1095","0.0018","90","","90","","90","","4467.3","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N O P -","- C30 H20 N O P -","- C240 H160 N8 O8 P8 -","8","1","","Lin, Cheng-Huei; Hsu, Che-Wei; Liao, Jia-Ling; Cheng, Yi-Ming; Chi, Yun; Lin, Tsung-Yi; Chung, Min-Wen; Chou, Pi-Tai; Lee, Gene-Hsiang; Chang, Chih-Hao; Shih, Chin-Yao; Ho, Chi-Lung","Phosphorescent OLEDs assembled using Os(ii) phosphors and a bipolar host material consisting of both carbazole and dibenzophosphole oxide","Journal of Materials Chemistry","2012","22","21","10684","","10.1039/c2jm16674g","","","0.71073","MoKα","","0.0779","0.0548","","","0.1239","0.1413","","","","","","1.112","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208028","3.8836","0.0011","18.718","0.005","10.383","0.003","90","","94.058","0.005","90","","752.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,13-dichloropentacene","","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C44 H24 Cl4 -","2","0.5","","Li, Jie; Wang, Mao; Ren, Shendong; Gao, Xike; Hong, Wei; Li, Hongxiang; Zhu, Daoben","High performance organic thin film transistor based on pentacene derivative: 6,13-dichloropentacene","Journal of Materials Chemistry","2012","22","21","10496","","10.1039/c2jm16871e","","","0.71073","MoKα","","0.0669","0.048","","","0.1044","0.1127","","","","","","1.09","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208029","10.089","0.005","22.846","0.005","16.127","0.005","90","0.005","100.922","0.005","90","0.005","3650","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 F10 Ir N8 P -","- C37 H24 F10 Ir N8 P -","- C148 H96 F40 Ir4 N32 P4 -","4","1","","Shan, Guo-Gang; Li, Hai-Bin; Zhu, Dong-Xia; Su, Zhong-Min; Liao, Yi","Intramolecular π-stacking in cationic iridium(iii) complexes with a triazole‒pyridine type ancillary ligand: synthesis, photophysics, electrochemistry properties and piezochromic behavior","Journal of Materials Chemistry","2012","22","25","12736","","10.1039/c2jm30480e","","","0.71069","MoKα","","0.092","0.0408","","","0.0484","0.0568","","","","","","0.986","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208030","14.169","0.005","15.705","0.005","17.649","0.005","109.763","0.005","90.435","0.005","91.581","0.005","3694","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H30 F6 Ir N6 P -","- C41 H30 F6 Ir N6 P -","- C164 H120 F24 Ir4 N24 P4 -","4","2","","Shan, Guo-Gang; Li, Hai-Bin; Zhu, Dong-Xia; Su, Zhong-Min; Liao, Yi","Intramolecular π-stacking in cationic iridium(iii) complexes with a triazole‒pyridine type ancillary ligand: synthesis, photophysics, electrochemistry properties and piezochromic behavior","Journal of Materials Chemistry","2012","22","25","12736","","10.1039/c2jm30480e","","","0.71069","MoKα","","0.1134","0.0565","","","0.1232","0.1565","","","","","","1.008","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208031","19.348","0.018","31.17","0.03","9.522","0.008","90","","90","","90","","5743","9","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C52 H54 Cd Cl2 N4 O23 -","- C52 H40 Cd Cl2 N4 O23 -","- C208 H160 Cd4 Cl8 N16 O92 -","4","0.25","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0923","0.0708","","","0.1794","0.1949","","","","","","1.089","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208032","16.1787","0.0012","9.8431","0.0005","18.6902","0.0013","90","","114.982","0.002","90","","2697.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 Cd Cl2 N2 O8.5 -","- C26 H20 Cd Cl2 N2 O8.5 -","- C104 H80 Cd4 Cl8 N8 O34 -","4","1","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0744","0.062","","","0.1763","0.1886","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208033","16.753","0.008","8.84","0.004","18.01","0.009","90","","110.511","0.008","90","","2498","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cd I2 N2 O4 -","- C26 H20 Cd I2 N2 O4 -","- C104 H80 Cd4 I8 N8 O16 -","4","1","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0503","0.0411","","","0.1116","0.1218","","","","","","1.04","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208034","16.687","0.005","10.02","0.002","17.913","0.005","90","","115.571","0.003","90","","2701.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cd N8 O7 -","- C26 H26 Cd N8 O7 -","- C104 H104 Cd4 N32 O28 -","4","1","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0503","0.0388","","","0.1026","0.1101","","","","","","1.106","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208035","16.478","0.006","9.716","0.003","18.084","0.007","90","","114.075","0.004","90","","2643.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cd N4 O4 S2 -","- C28 H20 Cd N4 O4 S2 -","- C112 H80 Cd4 N16 O16 S8 -","4","1","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0695","0.048","","","0.1207","0.1366","","","","","","0.98","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208036","6.02","0.0005","12.7722","0.0011","13.1612","0.0011","118.829","0.001","90.609","0.001","91.687","0.001","885.79","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N3 O11 Tm -","- C9 H13 N3 O11 Tm -","- C18 H26 N6 O22 Tm2 -","2","1","","Pan, Yingyi; Ma, Deyun; Liu, Huimin; Wu, Hao; He, Dehua; Li, Yingwei","Uncoordinated carbonyl groups of MOFs as anchoring sites for the preparation of highly active Pd nano-catalysts","Journal of Materials Chemistry","2012","22","21","10834","","10.1039/c2jm30867c","","","0.71073","MoKα","","0.0466","0.0402","","","0.0987","0.1036","","","","","","1.048","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208037","5.7875","0.0001","25.372","0.0005","9.6688","0.0002","90","","103.188","0.002","90","","1382.33","0.05","150","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Fe N S -","- C17 H13 Fe N S -","- C68 H52 Fe4 N4 S4 -","4","1","","Kaur, Paramjit; Kaur, Mandeep; Depotter, Griet; Van Cleuvenbergen, Stijn; Asselberghs, Inge; Clays, Koen; Singh, Kamaljit","Thermally stable ferrocenyl “push‒pull” chromophores with tailorable and switchable second-order non-linear optical response: synthesis and structure‒property relationship","Journal of Materials Chemistry","2012","22","21","10597","","10.1039/c2jm31387a","","","0.71073","MoKα","","0.0261","0.0233","","","0.0552","0.0561","","","","","","1.084","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208038","7.3555","0.0004","11.6373","0.0007","11.6538","0.0006","85.685","0.004","81.702","0.004","75.203","0.005","953.6","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 Fe N2 -","- C23 H22 Fe N2 -","- C46 H44 Fe2 N4 -","2","1","","Kaur, Paramjit; Kaur, Mandeep; Depotter, Griet; Van Cleuvenbergen, Stijn; Asselberghs, Inge; Clays, Koen; Singh, Kamaljit","Thermally stable ferrocenyl “push‒pull” chromophores with tailorable and switchable second-order non-linear optical response: synthesis and structure‒property relationship","Journal of Materials Chemistry","2012","22","21","10597","","10.1039/c2jm31387a","","","0.71073","MoKα","","0.0477","0.0415","","","0.1419","0.176","","","","","","1.056","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208039","4.9047","0.0019","10.001","0.004","14.952","0.006","80.849","0.005","84.181","0.005","78.46","0.006","707.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","ammonium 3,4,5-trinitro-1H-pyrazol-1-olate ethyl acetate","","- C7 H12 N6 O9 -","- C7 H12 N6 O9 -","- C14 H24 N12 O18 -","2","1","","Zhang, Yanqiang; Parrish, Damon A.; Shreeve, Jean'ne M.","Synthesis and properties of 3,4,5-trinitropyrazole-1-ol and its energetic salts","Journal of Materials Chemistry","2012","22","25","12659","","10.1039/c2jm31535a","","","0.71073","MoKα","","0.0528","0.0441","","","0.1178","0.1243","","","","","","1.056","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208042","9.863","0.003","10.363","0.003","11.563","0.003","90","","113.28","0.02","90","","1085.6","0.6","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Robert, François; Jacquemin, Pierre-Loïc; Tinant, Bernard; Garcia, Yann","Trans-keto* form detection in non photochromic N-salicylidene aminomethylpyridines","CrystEngComm","2012","14","13","4396","","10.1039/c2ce00006g","","","0.71069","MoKα","","0.0509","0.0475","","","0.1263","0.1291","","","","","","1.124","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208043","13.864","0.004","6.004","0.002","14.041","0.004","90","","103.95","0.02","90","","1134.3","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Robert, François; Jacquemin, Pierre-Loïc; Tinant, Bernard; Garcia, Yann","Trans-keto* form detection in non photochromic N-salicylidene aminomethylpyridines","CrystEngComm","2012","14","13","4396","","10.1039/c2ce00006g","","","0.71069","MoKα","","0.0421","0.0409","","","0.1126","0.1135","","","","","","1.139","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208044","11.05","0.003","14.2","0.003","10.068","0.002","90","","95.397","0.016","90","","1572.8","0.6","293","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18.5 H17 N2 O -","- C18.5 H16.5 N2 O -","- C74 H66 N8 O4 -","4","1","","Choi, Eun-Young; Jazbinsek, Mojca; Lee, Seung-Heon; Günter, Peter; Yun, Hoseop; Lee, Soon W.; Kwon, O-Pil","Co-crystal structure selection of nonlinear optical analogue polyenes","CrystEngComm","2012","14","13","4306","","10.1039/c2ce06057d","","","0.71073","MoKα","","0.1835","0.0664","","","0.1326","0.1798","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208045","12.7407","0.0003","12.7787","0.0003","15.996","0.0004","86.701","0.002","72.142","0.002","60.438","0.003","2142.27","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H52 K2 Mn5 O38 S6 -","- C84 H48 K2 Mn5 O38 S6 -","- C84 H48 K2 Mn5 O38 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0462","0.0334","","","0.0859","0.0919","","","","","","1.089","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208046","12.55","0.0006","12.9301","0.0006","16.1279","0.0007","106.08","0.004","93.353","0.004","118.627","0.005","2149.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H48 Cs2 Mn5 O36 S6 -","- C84 H48 Cs2 Mn5 O36 S6 -","- C84 H48 Cs2 Mn5 O36 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.093","0.0576","","","0.1334","0.1469","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208047","12.7609","0.0006","12.7682","0.0006","16.0315","0.0007","87.646","0.004","72.508","0.004","60.477","0.005","2149.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H60 Mn5 N2 O38 S6 -","- C84 H56 Mn5 N2 O38 S6 -","- C84 H56 Mn5 N2 O38 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0675","0.0425","","","0.0845","0.0971","","","","","","1.007","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208048","12.7","0.005","12.714","0.005","15.99","0.005","72.773","0.005","88.047","0.005","60.583","0.005","2128.8","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H59 Mn5 O40.5 S6 -","- C84 H50 Mn5 O40.5 S6 -","- C84 H50 Mn5 O40.5 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0611","0.0416","","","0.0948","0.1036","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208049","8.3238","0.0005","20.5408","0.0011","9.6118","0.0005","90","","102.496","0.005","90","","1604.47","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H35 Cu3 La O34 -","- C9 Cu3 La O34 -","- C18 Cu6 La2 O68 -","2","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","MoKα","","0.0621","0.0454","","","0.0946","0.1014","","","","","","1.088","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208050","11.796","0.003","12.218","0.003","18.964","0.011","90","","93.794","0.016","90","","2727.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 Cu3 La O31 -","- C9 Cu3 La O31 -","- C36 Cu12 La4 O124 -","4","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","Mokα","","0.0601","0.0458","","","0.1219","0.1448","","","","","","1.135","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208051","6.0895","0.0004","10.4778","0.0009","11.4086","0.001","73.688","0.007","77.256","0.007","85.402","0.006","681.28","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 N O7 Zn -","- C10 H21 N O7 Zn -","- C20 H42 N2 O14 Zn2 -","2","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco","Crystal structure and solid-state transformations of Zn‒triethanolamine‒acetate complexes to ZnO","CrystEngComm","2012","14","13","4472","","10.1039/c2ce06468e","","","0.71073","MoKα","","0.1988","0.0945","","","0.2342","0.2695","","","","","","1.065","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208052","8.4232","0.0005","10.0883","0.0005","10.1361","0.0006","91.118","0.004","113.57","0.005","98.367","0.005","778.19","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H42 N2 O16 Zn4 -","- C20 H42 N2 O16 Zn4 -","- C20 H42 N2 O16 Zn4 -","1","0.5","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco","Crystal structure and solid-state transformations of Zn‒triethanolamine‒acetate complexes to ZnO","CrystEngComm","2012","14","13","4472","","10.1039/c2ce06468e","","","0.71073","MoKα","","0.0532","0.03","","","0.0624","0.0696","","","","","","1.011","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208053","22.496","0.003","22.496","0.003","14.87","0.003","90","","90","","120","","6517.1","1.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H12 Cd Cl N5 O -","- C11 H12 Cd Cl N5 O -","- C198 H216 Cd18 Cl18 N90 O18 -","18","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0444","0.0418","","","0.1338","0.1365","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208054","6.4648","0.0013","9.841","0.002","30.508","0.006","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N5 -","- C10 H8 N5 -","- C80 H64 N40 -","8","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0764","0.0754","","","0.1805","0.1813","","","","","","1.008","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208055","11.6973","0.0002","10.268","0.0002","15.3761","0.0003","90","","94.2943","0.0019","90","","1841.61","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd2 O12 S -","- C16 H14 Cd2 O12 S -","- C64 H56 Cd8 O48 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.047","0.0377","","","0.054","0.0556","","","","","","1.456","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208056","24.577","0.005","9.858","0.002","19.961","0.004","90","","109.71","0.03","90","","4552.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cd4 N2 O21 S2 -","- C44 H32 Cd4 N2 O21 S2 -","- C176 H128 Cd16 N8 O84 S8 -","4","0.5","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0468","0.0417","","","0.0846","0.0874","","","","","","1.157","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208057","11.418","0.002","14.628","0.003","20.288","0.006","90","","120.49","0.02","90","","2920","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N4 O8 S -","- C30 H20 Cd2 N4 O8 S -","- C120 H80 Cd8 N16 O32 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0929","0.0769","","","0.187","0.2045","","","","","","1.226","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208058","19.695","0.004","9.2506","0.0019","18.77","0.004","90","","90","","90","","3419.7","1.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 Cd2 N2 O17 S -","- C28 H32 Cd2 N2 O17 S -","- C112 H128 Cd8 N8 O68 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0311","0.0302","","","0.0659","0.0663","","","","","","1.094","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208059","9.2969","0.0005","15.1541","0.0007","21.5699","0.001","77.95","0.004","89.748","0.004","86.294","0.004","2965.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H110 N8 O61 S4 Zn8 -","- C104 H110 N8 O61 S4 Zn8 -","- C104 H110 N8 O61 S4 Zn8 -","1","0.5","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0745","0.0491","","","0.1061","0.117","","","","","","0.95","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208060","8.709","0.004","11.587","0.005","8.28","0.003","90","","90","","90","","835.5","0.6","120","2","120","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H8 Mg N2 O6 -","- C4 H8 Mg N2 O6 -","- C16 H32 Mg4 N8 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.0331","0.0293","","","0.0791","0.0819","","","","","","1.109","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208061","8.391","0.002","11.831","0.002","8.842","0.001","90","","90","","90","","877.8","0.3","298","2","298","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mg N3 O6 -","- C4 H9 Mg N3 O6 -","- C16 H36 Mg4 N12 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.1345","0.1031","","","0.2709","0.3236","","","","","","1.124","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208062","11.667","0.002","8.3608","0.0016","12.363","0.002","90","","93.224","0.002","90","","1204","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H10 Cu N2 O6 -","- C12 H10 Cu N2 O6 -","- C48 H40 Cu4 N8 O24 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0306","0.0286","","","0.0689","0.07","","","","","","1.042","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208063","17.55","0.004","12.839","0.003","18.15","0.004","90","","90","","90","","4089.6","1.6","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N4 O5 Zn -","- C22 H16 N4 O5 Zn -","- C176 H128 N32 O40 Zn8 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.1154","0.0534","","","0.124","0.1536","","","","","","1.004","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208064","17.4706","0.0018","12.8946","0.0013","18.194","0.002","90","","90","","90","","4098.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Co N4 O5 -","- C22 H16 Co N4 O5 -","- C176 H128 Co8 N32 O40 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0492","0.0359","","","0.0968","0.103","","","","","","1.083","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208065","10.3055","0.0009","16.9232","0.0014","12.759","0.0011","90","","101.976","0.001","90","","2176.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N4 O5 -","- C24 H16 Co N4 O5 -","- C96 H64 Co4 N16 O20 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0385","0.0302","","","0.0775","0.0807","","","","","","1.086","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208066","9.0336","0.0008","10.155","0.0009","15.4904","0.0013","107.652","0.001","97.168","0.001","105.296","0.001","1273.33","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cd1.5 N4 O11 -","- C24 H19 Cd1.5 N4 O11 -","- C48 H38 Cd3 N8 O22 -","2","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0417","0.0288","","","0.0638","0.0693","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208067","19.821","0.003","7.474","0.0013","20.988","0.004","90","","105.716","0.002","90","","2993","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Co1.5 N5 O12 -","- C29 H26 Co1.5 N5 O12 -","- C116 H104 Co6 N20 O48 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0623","0.0429","","","0.1041","0.1154","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208068","9.05","0.0003","19.4931","0.0007","12.0533","0.0004","90","","90","","90","","2126.35","0.13","150","2","150","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C4 H54 Fe Mo4 N7 O36 P4 -","- C4 H6 Fe Mo4 O26 P4 -","- C8 H12 Fe2 Mo8 O52 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0945","0.0819","","","0.1934","0.1989","","","","","","1.133","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208069","19.34","0.003","8.9709","0.0015","12.18","0.002","90","","90","","90","","2113.2","0.6","103","2","103","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C4 H51.34 Cr Mo4 N4 Na O39.67 P4 -","- C4 H30 Cr Mo4 N4 Na O39.66 P4 -","- C8 H60 Cr2 Mo8 N8 Na2 O79.32 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0509","0.049","","","0.1441","0.1459","","","","","","0.999","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208070","17.531","0.003","19.863","0.003","12.896","0.002","90","","90.48","0.003","90","","4490.5","1.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H51.3 Mo6 N8 O36.65 P4 -","- C4 H8 Mo6 N8 O36.65 P4 -","- C16 H32 Mo24 N32 O146.6 P16 -","4","1","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0754","0.0605","","","0.1384","0.1468","","","","","","1.1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208071","10.674","0.002","10.9232","0.0013","8.796","0.002","90","","125.04","0.03","90","","839.7","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 N4 -","- C6 H14 N4 -","- C24 H56 N16 -","4","0.5","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0546","0.0524","","","0.1331","0.1358","","","","","","1.155","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208072","8.0454","0.0005","8.9859","0.0019","13.0298","0.0017","92.702","0.014","100.424","0.01","115.058","0.014","831.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N5 O2 -","- C15 H25 N5 O2 -","- C30 H50 N10 O4 -","2","1","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0555","0.0472","","","0.1208","0.1254","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208073","18.5835","0.0014","5.4789","0.0005","20.2394","0.0019","90","","90.425","0.008","90","","2060.7","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0431","0.0361","","","0.0979","0.1023","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208074","8.8941","0.0013","8.8941","0.0013","6.3353","0.0013","90","","90","","120","","434.01","0.13","295","2","295","2","","","2620000","","","","","3","P 63/m","-P 6c","176","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C12 H30 Cl6 -","6","0.5","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0226","0.0215","","","0.05","0.0515","","","","","","1.182","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208075","8.8116","0.0012","8.8116","0.0012","6.2705","0.0013","90","","90","","120","","421.64","0.12","295","2","295","2","","","3040000","","","","","3","P 63/m","-P 6c","176","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C12 H30 Cl6 -","6","0.5","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0175","0.0172","","","0.044","0.0442","","","","","","1.096","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208076","5.3006","0.0007","9.8562","0.0015","6.8405","0.001","90","","98.173","0.013","90","","353.74","0.09","120","0.1","120","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C8 H20 Cl4 -","4","1","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0654","0.06","","","0.151","0.154","","","","","","1.072","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208077","5.2815","0.0006","9.8152","0.0014","6.7653","0.0009","90","","98.071","0.012","90","","347.23","0.08","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C8 H20 Cl4 -","4","1","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0602","0.0552","","","0.1391","0.1433","","","","","","0.999","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208078","51.285","0.01","11.694","0.002","31.093","0.006","90","","112.22","0.03","90","","17263","7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H45 F18 N4 O12 Tb -","- C51 H45 F18 N4 O12 Tb -","- C612 H540 F216 N48 O144 Tb12 -","12","1.5","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0417","0.0344","","","0.0765","0.0806","","","","","","1.072","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208079","11.844","0.002","14.694","0.003","17.86","0.004","97.57","0.03","93.51","0.03","107.98","0.03","2913.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 Ho N4 O12 -","- C51 H45 F18 Ho N4 O12 -","- C102 H90 F36 Ho2 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0872","0.0437","","","0.0641","0.07","","","","","","0.852","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208080","11.778","0.002","14.717","0.003","17.644","0.003","97.39","0.03","93.68","0.03","107.89","0.03","2868.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Er F18 N4 O12 -","- C51 H45 Er F18 N4 O12 -","- C102 H90 Er2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.081","0.0632","","","0.1453","0.1601","","","","","","1.078","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208081","11.768","0.002","14.695","0.003","17.642","0.003","97.37","0.03","93.85","0.03","108.19","0.03","2855.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 N4 O12 Tm -","- C51 H45 F18 N4 O12 Tm -","- C102 H90 F36 N8 O24 Tm2 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0618","0.0488","","","0.103","0.1086","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208082","12.296","0.003","14.312","0.003","19.009","0.004","100.89","0.03","103.92","0.03","111.24","0.03","2882.1","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 Gd N4 O12 -","- C51 H45 F18 Gd N4 O12 -","- C102 H90 F36 Gd2 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0394","0.0365","","","0.0918","0.0944","","","","","","1.051","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208083","12.237","0.002","14.223","0.003","18.868","0.004","100.82","0.03","104.15","0.03","111.08","0.03","2829.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Dy F18 N4 O12 -","- C51 H45 Dy F18 N4 O12 -","- C102 H90 Dy2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0564","0.0477","","","0.1108","0.1165","","","","","","1.076","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208084","12.388","0.003","14.306","0.003","19.221","0.004","100.93","0.03","103.76","0.03","111.6","0.03","2927.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 N4 O12 Pr -","- C51 H45 F18 N4 O12 Pr -","- C102 H90 F36 N8 O24 Pr2 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0692","0.0559","","","0.136","0.1436","","","","","","1.034","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208085","29","0.02","11.358","0.008","20.024","0.015","90","","97.977","0.009","90","","6532","8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N2 O3 -","- C18 H21 N2 O3 -","- C288 H336 N32 O48 -","16","4","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.1363","0.1015","","","0.2319","0.255","","","","","","1.011","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208086","17.693","0.003","17.693","0.003","13.907","0.003","90","","90","","120","","3770.2","1.2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C180 H162 N18 O36 -","6","0.333333","","Naseer, Muhammad Moazzam; Hameed, Shahid","Layer-by-layer assembly of supramolecular hexagonal blocks driven by CH‒π and π‒π interactions","CrystEngComm","2012","14","13","4247","","10.1039/c2ce25118c","","","0.71073","MoKα","","0.0701","0.0401","","","0.0892","0.0989","","","","","","1.012","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208087","5.2959","0.0008","5.011","0.0008","21.651","0.014","90","","98.78","0.04","90","","567.8","0.4","296","2","296","2","640000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1081","0.0927","","","0.1775","0.1883","","","","","","1.211","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208088","5.3454","0.0015","5.04","0.0016","21.688","0.017","90","","98.36","0.08","90","","578.1","0.5","296","2","296","2","420000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.125","0.0999","","","0.1986","0.2153","","","","","","1.314","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208089","5.402","0.004","5.067","0.003","21.751","0.015","90","","98.1","0.06","90","","589.4","0.7","296","2","296","2","210000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1365","0.0875","","","0.0767","0.0847","","","","","","1.477","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208090","5.1036","0.0011","4.8981","0.001","21.176","0.016","90","","100.38","0.06","90","","520.7","0.4","296","2","296","2","1960000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1128","0.0765","","","0.0919","0.1048","","","","","","1.301","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208091","5.1578","0.0011","4.9334","0.0011","21.302","0.015","90","","99.82","0.06","90","","534.1","0.4","296","2","296","2","1480000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.0886","0.0667","","","0.099","0.1053","","","","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208092","5.2086","0.001","4.9633","0.0011","21.468","0.015","90","","99.48","0.06","90","","547.4","0.4","296","2","296","2","1120000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.0716","0.0509","","","0.1324","0.1503","","","","","","1.131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208093","5.077","0.014","4.893","0.009","21.1","0.06","90","","100.6","0.4","90","","515","2","296","2","296","2","2210000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.2213","0.0982","","","0.1083","0.1479","","","","","","1.269","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208094","7.0066","0.0006","6.2397","0.0005","19.8205","0.0017","90","","96.494","0.002","90","","860.97","0.13","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C42 H42 N2 O4 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0473","0.0431","","","0.0994","0.1021","","","","","","1.035","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208095","7.0662","0.0008","6.1893","0.0007","29.342","0.004","90","","90.006","0.002","90","","1283.3","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C60 H64 N4 O8 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0564","0.0535","","","0.125","0.127","","","","","","1.035","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208096","7.357","0.002","6.1288","0.0017","20.081","0.006","90","","91.129","0.005","90","","905.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71075","MoKα","","0.0333","0.0328","","","0.0869","0.0874","","","","","","0.971","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208097","29.1775","0.0014","6.2427","0.0003","7.2407","0.0003","90","","90","","90","","1318.87","0.1","115","2","115","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N O3 S -","- C14 H16 N O3 S -","- C56 H64 N4 O12 S4 -","4","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0335","0.0325","","","0.0831","0.0839","","","","","","1.064","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208098","10.9234","0.0009","10.215","0.0008","11.2637","0.0009","90","","110.589","0.004","90","","1176.55","0.17","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C68 H48 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0374","0.0276","","","0.0633","0.0691","","","","","","0.942","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208099","6.0832","0.0004","10.8664","0.0006","18.1086","0.001","90","","99.668","0.003","90","","1180.02","0.12","89","2","89","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C68 H48 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0308","0.0288","","","0.0671","0.0685","","","","","","1.06","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208100","13.639","0.005","10.538","0.003","16.393","0.005","90","","91.222","0.005","90","","2355.6","1.3","168","2","168","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C136 H96 Fe8 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0645","0.0287","","","0.0484","0.0515","","","","","","0.817","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208101","14.6673","0.0009","10.3305","0.0006","12.8647","0.0008","90","","114.247","0.003","90","","1777.31","0.19","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C96 H72 Fe8 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.052","0.0374","","","0.0858","0.0946","","","","","","0.982","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208102","10.5532","0.0008","10.8903","0.0008","13.9116","0.0011","90","","106.76","0.004","90","","1530.9","0.2","89","2","89","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Fe -","- C22 H16 Fe -","- C88 H64 Fe4 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0421","0.0329","","","0.0774","0.0825","","","","","","1.085","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208103","7.5456","0.0005","10.1672","0.0007","11.635","0.0007","90","","98.492","0.004","90","","882.82","0.1","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Fe2 -","- C24 H20 Fe2 -","- C48 H40 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.037","0.0285","","","0.0658","0.0701","","","","","","1.004","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208104","9.2705","0.0005","9.7701","0.0005","11.4534","0.0006","72.887","0.001","80.213","0.0009","64.052","0.001","890.48","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N5 O4 -","- C18 H19 Co N5 O4 -","- C36 H38 Co2 N10 O8 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0348","0.033","","","0.095","0.0967","","","","","","1.011","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208105","11.0663","0.0005","7.617","0.0003","16.0392","0.0007","90","","91.754","0.001","90","","1351.34","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Co N3 O4 -","- C13 H12 Co N3 O4 -","- C52 H48 Co4 N12 O16 -","4","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0328","0.0291","","","0.0857","0.0892","","","","","","1.002","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208106","10.195","0.002","10.242","0.005","12.011","0.002","100.37","0.04","95.68","0.03","115.82","0.02","1088","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Co N5 O5 -","- C22 H21 Co N5 O5 -","- C44 H42 Co2 N10 O10 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.1126","0.0742","","","0.19","0.2094","","","","","","1.018","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208107","10.7631","0.0004","11.1927","0.0004","15.5583","0.0006","107.109","0.001","95.305","0.0009","99.155","0.001","1749.15","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Co2 N8 O8 -","- C37 H31 Co2 N8 O8 -","- C74 H62 Co4 N16 O16 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0368","0.0337","","","0.0933","0.0957","","","","","","1.027","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208108","11.8113","0.001","16.3344","0.0014","13.8479","0.0012","90","","112.851","0.001","90","","2462","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 O25 Zn3 -","- C12 H32 O25 Zn3 -","- C48 H128 O100 Zn12 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0414","0.0302","","","0.0639","0.0689","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208109","11.8151","0.0013","16.3216","0.0019","13.8362","0.0016","90","","112.766","0.001","90","","2460.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Co3 O25 -","- C12 H32 Co3 O25 -","- C48 H128 Co12 O100 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0591","0.0463","","","0.1092","0.1157","","","","","","1.041","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208110","17.0978","0.0017","8.3863","0.0008","27.613","0.003","90","","104.65","0.001","90","","3830.6","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 Cu5 O38 -","- C24 H42 Cu5 O38 -","- C96 H168 Cu20 O152 -","4","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0279","0.0254","","","0.0698","0.0712","","","","","","1.089","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208111","14.2531","0.0012","14.2531","0.0012","14.554","0.002","90","","90","","120","","2560.5","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H14 Ni2 O13 -","- C8 H14 Ni2 O13 -","- C72 H126 Ni18 O117 -","9","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0416","0.0352","","","0.1092","0.1124","","","","","","1.238","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208112","10.2897","0.0017","11.3848","0.0019","20.042","0.003","90","","90.712","0.002","90","","2347.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O15 Zn -","- C22 H24 N2 O15 Zn -","- C88 H96 N8 O60 Zn4 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0578","0.0387","","","0.0848","0.0949","","","","","","1.023","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208113","38.326","0.003","11.334","0.001","26.909","0.004","90","","131.031","0.001","90","","8817.6","1.7","566","2","566","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H35 N7 O16 Zn2 -","- C48 H35 N7 O16 Zn2 -","- C384 H280 N56 O128 Zn16 -","8","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0753","0.0472","","","0.1175","0.1303","","","","","","1.05","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208114","20.7","0.005","11.623","0.003","29.216","0.006","90","","118.682","0.013","90","","6167","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 Cd2 N6 O29 -","- C54 H44 Cd2 N6 O29 -","- C216 H176 Cd8 N24 O116 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.1355","0.0828","","","0.2369","0.2763","","","","","","0.93","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208115","12.8575","0.0016","14.2518","0.0017","16.053","0.003","101.572","0.002","107.553","0.002","112.338","0.001","2422.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H51 Co1.5 N6 O21 -","- C42 H49 Co1.5 N6 O21 -","- C84 H98 Co3 N12 O42 -","2","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0641","0.0528","","","0.1419","0.1526","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208116","13.138","0.003","11.446","0.002","26.722","0.005","90","","104.23","","90","","3895.1","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Mn N4 O19 -","- C36 H40 Mn N4 O19 -","- C144 H160 Mn4 N16 O76 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.138","0.0608","","","0.1222","0.1476","","","","","","0.849","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208117","14.3386","0.0007","16.8561","0.0009","16.9461","0.0009","67.343","0.005","84.739","0.004","77.298","0.004","3687.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","synthesis as described","","","- C119 H43 Cl4 Fe N4 -","- C118.994 H42.996 Cl3.998 Fe N4 -","- C237.988 H85.992 Cl7.996 Fe2 N8 -","2","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.","Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes","CrystEngComm","2012","14","13","4350","","10.1039/c2ce25295c","","","0.71073","MoKα","","0.105","0.0661","","","0.1938","0.2142","","","","","","1.133","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208118","10.7512","0.0005","10.9907","0.0005","11.0421","0.0005","73.687","0.001","72.95","0.001","62.057","0.001","1085.97","0.09","140","2","140","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C58 H38 Fe N6 -","- C58 H38 Fe N6 -","- C58 H38 Fe N6 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.","Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes","CrystEngComm","2012","14","13","4350","","10.1039/c2ce25295c","","","0.71073","MoKα","","0.048","0.0356","","","0.0818","0.089","","","","","","1.029","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208119","24.2284","0.001","24.2284","0.001","20.6629","0.0016","90","","90","","120","","10504.4","1","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36 H50.67 Ag2.67 Cl2.67 N8 O12 -","- C36 H50.6633 Ag2.66667 Cl2.66667 N8 O12 -","- C324 H455.97 Ag24 Cl24 N72 O108 -","9","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.08","0.0489","","","0.0954","0.1146","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208120","9.254","0.0019","10.25","0.002","11.625","0.002","90","","104.4","0.003","90","","1068","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Ag Cl N4 O5 -","- C18 H26 Ag Cl N4 O5 -","- C36 H52 Ag2 Cl2 N8 O10 -","2","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.0762","0.0738","","","0.1717","0.1729","","","","","","1.087","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208121","6.1014","0.001","24.246","0.005","5.1617","0.0008","90","","93.598","0.009","90","","762.1","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dibromotetrafluorobenzene","1,3-Dibromotetrafluorobenzene","","- C6 Br2 F4 -","- C6 Br2 F4 -","- C24 Br8 F16 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0308","0.0215","","","0.0496","0.0522","","","","","","1.097","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208122","26.751","0.003","8.9439","0.0009","17.2175","0.0018","90","","119.428","0.002","90","","3587.9","0.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Dibromotetrafluorobenzene Hexamethyphosphoramide","1,3-Dibromotetrafluorobenzene Hexamethylphosphoramide","","- C12 H18 Br2 F4 N3 O P -","- C12 H18 Br2 F4 N3 O P -","- C96 H144 Br16 F32 N24 O8 P8 -","8","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0365","0.0247","","","0.0543","0.0574","","","","","","1.023","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208123","10.1518","0.0019","5.3303","0.0011","21.945","0.004","90","","90","","90","","1187.5","0.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","Dibromotetrafluorobenzene Dimethyl sulfoxide","1,3-Dibromotetrafluorobenzene Dimethyl sulfoxide","","- C8 H6 Br2 F4 O S -","- C8 H6 Br2 F4 O S -","- C32 H24 Br8 F16 O4 S4 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0604","0.0412","","","0.0946","0.1341","","","","","","1.09","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208124","56.546","0.006","8.1861","0.0008","8.6095","0.0009","90","","90","","90","","3985.3","0.7","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","Dibromotetrafluorobenzene Dimethyl formamide","Dibromotetrafluorobenzene Dimethyl formamide","","- C15 H7 Br4 F8 N O -","- C15 H7 Br4 F8 N O -","- C120 H56 Br32 F64 N8 O8 -","8","0.5","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0543","0.0352","","","0.0752","0.1013","","","","","","1.184","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208125","15.0427","0.001","19.2867","0.0008","15.3115","0.0007","90","","106.433","0.001","90","","4260.8","0.4","100","2","100","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cd2 N12 O2 S6 -","- C32 H48 Cd2 N12 O2 S6 -","- C128 H192 Cd8 N48 O8 S24 -","4","0.5","","Martínez-Calvo, Miguel; Pedrido, Rosa; González-Noya, Ana M.; Cwiklinska, Magdalena; Zaragoza, Guillermo; Bermejo, Manuel R.","Chains or grids of cadmium(ii) helicates?","CrystEngComm","2012","14","13","4270","","10.1039/c2ce25551k","","x-ray","0.7107","MoKα","","0.0487","0.0296","","","0.056","0.0619","","","","","","1.02","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208126","11.5553","0.0003","8.1262","0.0002","13.2771","0.0003","90","","113.978","0.0015","90","","1139.14","0.05","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F3 N3 -","- C12 H10 F3 N3 -","- C48 H40 F12 N12 -","4","1","","Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai","Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state.","Physical chemistry chemical physics : PCCP","2012","14","25","9006","9015","10.1039/c2cp23938h","","","0.71073","MoKα","","0.0773","0.0557","","","0.1556","0.1693","","","","","","1.091","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208127","7.6053","0.0009","16.5396","0.0019","8.8177","0.001","90","","113.508","0.002","90","","1017.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 N3 -","- C11 H8 F3 N3 -","- C44 H32 F12 N12 -","4","1","","Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai","Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state.","Physical chemistry chemical physics : PCCP","2012","14","25","9006","9015","10.1039/c2cp23938h","","","0.71073","MoKα","","0.0443","0.0401","","","0.1029","0.1062","","","","","","1.033","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208128","14.0909","0.0012","4.8932","0.0004","14.1826","0.0012","90","","96.014","0.002","90","","972.5","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 F3 N3 -","- C11 H6 F3 N3 -","- C44 H24 F12 N12 -","4","1","","Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai","Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state.","Physical chemistry chemical physics : PCCP","2012","14","25","9006","9015","10.1039/c2cp23938h","","","0.71073","MoKα","","0.0645","0.0524","","","0.1381","0.1464","","","","","","1.048","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208129","22.7575","0.0015","4.3553","0.0003","17.981","0.001","90","","94.239","0.003","90","","1777.3","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 F3 N3 -","- C9 H6 F3 N3 -","- C72 H48 F24 N24 -","8","1","","Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai","Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state.","Physical chemistry chemical physics : PCCP","2012","14","25","9006","9015","10.1039/c2cp23938h","","","0.71073","MoKα","","0.0598","0.0399","","","0.1045","0.1125","","","","","","1.1","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208130","12.142","0.002","10.509","0.002","13.907","0.003","90","","106.101","0.004","90","","1704.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Ag N5 O5 -","- C18 H14 Ag N5 O5 -","- C72 H56 Ag4 N20 O20 -","4","1","","Sheykhan, Mehdi; Rashidi Ranjbar, Zohreh; Morsali, Ali; Heydari, Akbar","Minimisation of E-Factor in the synthesis of N-hydroxylamines: the role of silver(i)-based coordination polymers","Green Chemistry","2012","14","7","1971","","10.1039/c2gc35076a","","","0.71073","MoKα","","0.0977","0.0421","","","0.0763","0.0956","","","","","","0.985","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208131","13.6247","0.0014","8.6852","0.0008","17.0833","0.0019","90","","112.949","0.002","90","","1861.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F3 N O4 -","- C21 H18 F3 N O4 -","- C84 H72 F12 N4 O16 -","4","1","","Reddy, T. Ram; Reddy, L. Srinivasula; Reddy, G. Rajeshwar; Yarbagi, Kaviraj; Lingappa, Y.; Rambabu, D.; Krishna, G. Rama; Reddy, C. Malla; Kumar, K. Shiva; Pal, Manojit","Construction of a quinoline ring via a 3-component reaction in water: crystal structure analysis and H-bonding patterns of a 2-aryl quinoline","Green Chemistry","2012","14","7","1870","","10.1039/c2gc35256g","","","0.71073","MoKα","","0.0582","0.0394","","","0.0906","0.1007","","","","","","1.025","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208132","2.91081","","2.91081","","10.55029","","90","","90","","120","","77.415","","298","","298","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Potassium Lanthanum Titanate","","- Mg Mo N2 -","- Mg Mo N2 -","- Mg2 Mo2 N4 -","2","0.0833333","","Wang, Liangbiao; Tang, Kaibin; Zhu, Yongchun; Li, Qianwen; Zhu, Baichuan; Wang, LianCheng; Si, Lulu; Qian, Yitai","Solid state synthesis of a new ternary nitride MgMoN2 nanosheets and micromeshes","Journal of Materials Chemistry","2012","22","29","14559","","10.1039/c2jm30844d","powder diffraction","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208133","14.3679","0.001","12.3365","0.0009","27.768","0.002","90","","101.536","0.004","90","","4822.4","0.6","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C264 H216 O24 -","12","3","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.1029","0.0515","","","0.1173","0.1477","","","","","","1.008","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208134","8.1278","0.0004","9.4651","0.0004","10.7576","0.0005","102.711","0.002","102.324","0.002","91.986","0.002","785.8","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C44 H36 O4 -","2","1","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.0432","0.0374","","","0.096","0.1003","","","","","","1.053","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208135","14.9138","0.0013","15.253","0.0012","15.136","0.0014","90","","118.815","0.004","90","","3016.8","0.5","100","0.1","100","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 -","- C22 H18 -","- C176 H144 -","8","1","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.0839","0.0609","","","0.1515","0.1648","","","","","","1.066","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208136","5.8708","0.0002","7.6845","0.0003","28.2976","0.0009","90","","90","","90","","1276.62","0.08","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 O -","- C19 H12 O -","- C76 H48 O4 -","4","1","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.0684","0.0389","","","0.0824","0.108","","","","","","1.026","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208137","21.584","0.003","25.772","0.004","40.899","0.004","90","","90","","90","","22751","5","120","","120","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C129 H151.5 Cl3.5 Ir2 N4 -","- C129.12 H151.6 Cl3.52 Ir2 N4 -","- C1032.96 H1212.8 Cl28.16 Ir16 N32 -","8","","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.0842","0.0482","","","0.1093","0.1332","","","","","","1.259","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208138","21.975","0.002","25.478","0.002","40.842","0.004","90","","90","","90","","22867","4","120","2","120","","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C129 H147.5 Cl3.5 F4 Ir2 N4 -","- C129 H147.5 Cl3.5 F4 Ir2 N4 -","- C1032 H1180 Cl28 F32 Ir16 N32 -","8","","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.1293","0.0514","","","0.1111","0.1385","","","","","","1.443","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208139","16.2668","0.0008","19.4756","0.0009","22.8218","0.0011","105.98","0.006","101.103","0.006","91.648","0.007","6794.9","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C151 H198 Cl4 Ir2 N4 O4 -","- C150.75 H186 Cl4 Ir2 N4 O4 -","- C301.5 H372 Cl8 Ir4 N8 O8 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.0519","0.0324","","","0.0788","0.0888","","","","","","1.029","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208140","12.4152","0.0005","24.9244","0.0012","16.7445","0.0005","90","","91.503","0.011","90","","5179.7","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H144 Ir2 N6 O2 -","- C122 H144 Ir2 N6 O2 -","- C244 H288 Ir4 N12 O4 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","","0.71073","MoKα","","0.0954","0.051","","","0.1093","0.1337","","","","","","0.664","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208141","12.5082","0.0007","24.97","0.0013","16.8684","0.001","90","","91.23","0.03","90","","5267.3","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C122 H140 F4 Ir2 N6 O2 -","- C122 H138 F4 Ir2 N6 O2 -","- C244 H276 F8 Ir4 N12 O4 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","","0.71073","MoKα","","0.0429","0.0339","","","0.0729","0.0767","","","","","","1.051","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208142","12.11","0.003","16.493","0.004","21.339","0.005","82.45","0.03","89.83","0.03","81.81","0.03","4181.5","1.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H126 Ir N3 O3 -","- C95.24 H114 Ir N3 O3 -","- C190.48 H228 Ir2 N6 O6 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.1354","0.0688","","","0.1354","0.1558","","","","","","0.884","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208143","10.1895","0.001","11.4764","0.0016","17.763","0.003","102.487","0.005","96.931","0.008","101.36","0.008","1959.2","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","2","","Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.","Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes","Journal of Materials Chemistry","2012","22","26","13318","","10.1039/c2jm31314f","","","0.71073","MoKα","","0.1911","0.1076","","","0.2051","0.243","","","","","","1.074","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208144","11.2472","0.0004","13.4462","0.0004","30.0363","0.0011","90","","90.567","0.001","90","","4542.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C232 H200 N8 O16 -","8","2","","Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.","Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes","Journal of Materials Chemistry","2012","22","26","13318","","10.1039/c2jm31314f","","","0.71073","MoKα","","0.1307","0.0843","","","0.1386","0.1605","","","","","","1.167","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208145","17.1248","0.0005","9.6815","0.0002","12.9988","0.0003","90","","110.727","0.002","90","","2015.63","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.","Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes","Journal of Materials Chemistry","2012","22","26","13318","","10.1039/c2jm31314f","","","0.71073","MoKα","","0.0684","0.0482","","","0.1038","0.1141","","","","","","1.052","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208146","10","0.002","18.679","0.004","15.789","0.004","90","","91.675","0.002","90","","2948","1.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N -","- C20 H17 N -","- C160 H136 N8 -","8","2","","Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.","Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes","Journal of Materials Chemistry","2012","22","26","13318","","10.1039/c2jm31314f","","","0.6889","synchrotron","","0.0732","0.0584","","","0.1633","0.1707","","","","","","1.094","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208147","7.3261","0.0002","29.785","0.0009","9.8773","0.0003","90","","109.281","0.0016","90","","2034.41","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 N4 O -","- C26 H23 N4 O -","- C104 H92 N16 O4 -","4","1","","Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin","Tuning the sensitivity of fluorophore‒nitroxide radicals","Journal of Materials Chemistry","2012","22","26","13260","","10.1039/c2jm31390a","","","0.71073","MoKα","","0.0968","0.0508","","0.0672","0.0627","0.0627","","","","","","1.0905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208148","7.4598","0.0002","29.3972","0.0009","10.0132","0.0003","90","","109.821","0.0016","90","","2065.78","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 N4 O2 -","- C26 H23 N4 O2 -","- C104 H92 N16 O8 -","4","1","","Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin","Tuning the sensitivity of fluorophore‒nitroxide radicals","Journal of Materials Chemistry","2012","22","26","13260","","10.1039/c2jm31390a","","","0.71073","MoKα","","0.0651","0.0447","","0.0589","0.0561","0.0561","","","","","","1.0804","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208149","11.9981","0.0019","7.3161","0.0012","23.079","0.003","90","","90","","90","","2025.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N2 O -","- C10 H11 Cl N2 O -","- C80 H88 Cl8 N16 O8 -","8","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.135","0.0428","","","0.0823","0.1024","","","","","","0.971","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208150","6.162","0.0006","9.223","0.0009","19.067","0.0019","93.895","0.002","94.406","0.002","104.332","0.002","1042.54","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29 B F4 N2 O -","- C19 H29 B F4 N2 O -","- C38 H58 B2 F8 N4 O2 -","2","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.1172","0.0619","","","0.1841","0.2181","","","","","","0.994","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208151","4.9991","0.0004","9.5975","0.0008","24.98","0.002","90","","90","","90","","1198.51","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N2 O5 Re -","- C10 H11 N2 O5 Re -","- C40 H44 N8 O20 Re4 -","4","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.0219","0.0199","","","0.0467","0.0475","","","","","","0.996","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208152","6.344","0.004","10.275","0.006","11.844","0.007","70.91","0.01","83.266","0.012","89.319","0.012","724.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 F3 N2 O4 S -","- C11 H11 F3 N2 O4 S -","- C22 H22 F6 N4 O8 S2 -","2","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.1514","0.0641","","","0.14","0.1681","","","","","","0.979","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208153","9.9935","0.0018","14.007","0.003","18.935","0.003","103.999","0.004","91.508","0.004","96.957","0.004","2548.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C102 H108 N12 O24 S6 -","6","3","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.2109","0.0614","","","0.0913","0.1153","","","","","","0.922","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208154","15.48852","0.00016","15.48852","0.00016","15.48852","0.00016","90","","90","","90","","3715.61","0.07","298","","298","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ca15 N30 O10 Si20 -","- Ca15 N30 O9.99996 Si20 -","- Ca60 N120 O39.9998 Si80 -","4","0.166667","","Park, Woon Bae; Singh, Satendra Pal; Yoon, Chulsoo; Sohn, Kee-Sun","Eu2+ luminescence from 5 different crystallographic sites in a novel red phosphor, Ca15Si20O10N30:Eu2+","Journal of Materials Chemistry","2012","22","28","14068","","10.1039/c2jm32032k","powder diffraction","","1.5406","CuKα","","","","","","","","","4.4607","","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208155","12.668","0.005","22.274","0.005","14.366","0.004","90","","123.07","0.02","90","","3397","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 N20 O50 P W12 -","- C24 H16 Ag6 N20 O50 P W12 -","- C48 H32 Ag12 N40 O100 P2 W24 -","2","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.0711","0.0623","","","0.1521","0.1578","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208156","10.231","0.005","12.979","0.005","13.33","0.005","96.035","0.005","112.394","0.005","97.434","0.005","1599.6","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.0967","0.0623","","","0.1712","0.2002","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208157","12.03","0.005","13.925","0.005","22.761","0.005","95.882","0.005","104.85","0.005","104.044","0.005","3520","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H20 Ag7 K N25 O40 Si W12 -","- C30 H20 Ag7 K N25 O40 Si W12 -","- C60 H40 Ag14 K2 N50 O80 Si2 W24 -","2","1","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.1243","0.0749","","","0.1768","0.2028","","","","","","1.021","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208158","12.004","0.005","13.943","0.005","22.746","0.005","95.776","0.005","105.206","0.005","104.265","0.005","3504","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.1517","0.066","","","0.158","0.214","","","","","","1.006","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208159","9.2264","0.0003","7.7926","0.0003","25.4538","0.0009","90","","90","","90","","1830.07","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cd O5 -","- C8 H8 Cd O5 -","- C64 H64 Cd8 O40 -","8","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.038","0.0347","","","0.0884","0.0895","","","","","","1.275","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208160","12.1516","0.0005","10.0138","0.0003","17.5544","0.0005","90","","107.844","0.004","90","","2033.33","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cd2 N4 O13 -","- C40 H32 Cd2 N4 O13 -","- C80 H64 Cd4 N8 O26 -","2","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0307","0.0242","","","0.0662","0.068","","","","","","1.064","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208161","7.1646","0.0003","9.1391","0.0005","14.6408","0.0007","74.03","0.004","79.564","0.004","83.527","0.004","904.4","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 O20 Zn5 -","- C32 H34 O20 Zn5 -","- C32 H34 O20 Zn5 -","1","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0604","0.0507","","","0.1413","0.1489","","","","","","1.07","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208162","18.23","0.0004","18.23","0.0004","17.1118","0.0005","90","","90","","120","","4924.9","0.2","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C18 H18 N2 O5 Zn -","- C18 H16 N2 O4 Zn -","- C162 H144 N18 O36 Zn9 -","9","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0847","0.0794","","","0.2133","0.2198","","","","","","1.082","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208163","10.0635","0.0005","6.1226","0.0002","19.9763","0.0009","90","","103.34","0.005","90","","1197.63","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cu N O4 -","- C13 H12 Cu N O4 -","- C52 H48 Cu4 N4 O16 -","4","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0412","0.0308","","","0.0799","0.0821","","","","","","0.993","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208164","7.316","0.002","32.023","0.005","16.533","0.003","90","","99.91","0.02","90","","3815.6","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F12 Mn3 O11 -","- C34 H20 F12 Mn3 O11 -","- C136 H80 F48 Mn12 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.5405","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208165","7.127","0.001","31.803","0.004","16.424","0.002","90","","99.89","0.02","90","","3667.3","0.9","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Co3 F12 O11 -","- C34 H20 Co3 F12 O11 -","- C136 H80 Co12 F48 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208166","7.085","0.002","31.766","0.007","16.404","0.004","90","","99.78","0.04","90","","3638.3","1.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F12 Ni3 O11 -","- C34 H20 F12 Ni3 O11 -","- C136 H80 F48 Ni12 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.5405","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208167","19.0301","0.0014","7.2336","0.0005","20.5002","0.0015","90","","106.629","0.001","90","","2704","0.3","273","2","273","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C51 H25 Co2 F18 O12 -","- C51 H25 Co2 F18 O12 -","- C102 H50 Co4 F36 O24 -","2","0.5","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","","","0.71073","MoKα","","0.0583","0.0461","","","0.1279","0.1344","","","","","","1.058","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208168","31.9337","0.0015","7.3362","0.0003","22.4953","0.0011","90","","95.275","0.002","90","","5247.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H25 F18 Mn2 O12 -","- C51 H25 F18 Mn2 O12 -","- C204 H100 F72 Mn8 O48 -","4","0.5","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","","","1.54178","CuKα","","0.0526","0.0399","","","0.1108","0.1169","","","","","","1.145","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208169","13.444","0.001","11.48","0.001","12.434","0.001","90","","113.736","0.001","90","","1756.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitrofurantoin:citric acid cocrystal","Nitrofurantoin:citric acid cocrystal","","- C14 H14 N4 O12 -","- C14 H14 N4 O12 -","- C56 H56 N16 O48 -","4","1","","Alhalaweh, Amjad; George, Sumod; Basavoju, Srinivas; Childs, Scott L.; Rizvi, Syed A. A.; Velaga, Sitaram P.","Pharmaceutical cocrystals of nitrofurantoin: screening, characterization and crystal structure analysis","CrystEngComm","2012","14","15","5078","","10.1039/c2ce06602e","","","0.71073","MoKα","","0.0936","0.0482","","","0.1063","0.1268","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208170","7.212","0.0006","27.7094","0.0017","12.0909","0.0009","90","","91.789","0.008","90","","2415.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O11 -","- C24 H22 N4 O11 -","- C96 H88 N16 O44 -","4","1","","Alhalaweh, Amjad; George, Sumod; Basavoju, Srinivas; Childs, Scott L.; Rizvi, Syed A. A.; Velaga, Sitaram P.","Pharmaceutical cocrystals of nitrofurantoin: screening, characterization and crystal structure analysis","CrystEngComm","2012","14","15","5078","","10.1039/c2ce06602e","","","1.54178","CuKα","","0.1111","0.0891","","","0.2177","0.2326","","","","","","1.016","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208171","12.228","0.002","13.654","0.003","16.958","0.003","77.04","0.01","71.34","0.01","87.9","0.01","2612.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H42 Co2 N6 O8 -","- C60 H42 Co2 N6 O8 -","- C120 H84 Co4 N12 O16 -","2","1","","Saha, Rajat; Kumar, Sanjay","{[Co2(ndc)2(bpee)2](bpee)}: a 3D multifunctional MOF","CrystEngComm","2012","14","15","4980","","10.1039/c2ce25092f","","","0.71073","MoKα","","0.1045","0.049","","","0.1171","0.1348","","","","","","0.811","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208172","3.7849","0.0001","7.6754","0.0003","18.1962","0.0006","90","","94.825","0.002","90","","526.74","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((4-(hydrazinylcarbonyl)pyridinium)?(but-2-yn-1-olate)","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C20 H22 N6 O6 -","2","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.0335","0.0316","","","0.0904","0.093","","","","","","0.964","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208173","6.8587","0.0007","13.6008","0.0015","31.175","0.003","90","","90","","90","","2908.1","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-(diazan-2-ium-1-ylcarbonyl)pyridinium)?(but-2-yn-1-olate)2","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C112 H120 N24 O40 -","8","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.1283","0.0641","","","0.1467","0.1724","","","","","","0.989","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208174","10.3415","0.0009","10.7795","0.001","12.8133","0.0012","90","","110.643","0.002","90","","1336.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu N3 S2 -","- C13 H11 Cu N3 S2 -","- C52 H44 Cu4 N12 S8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MoKα","","0.0482","0.0408","","","0.0988","0.1029","","","","","","1.088","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208175","19.58","0.002","7.2751","0.0005","19.7325","0.0017","90","","111.773","0.011","90","","2610.3","0.4","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cu2 N6 S4 -","- C25 H20 Cu2 N6 S4 -","- C100 H80 Cu8 N24 S16 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","1.5418","CuKα","","0.0533","0.042","","","0.1027","0.1099","","","","","","1.036","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208176","9.8393","0.0004","14.0296","0.0004","17.5897","0.0006","90","","100.459","0.003","90","","2387.76","0.15","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu I3 N2 -","- C22 H22 Cu I3 N2 -","- C88 H88 Cu4 I12 N8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.082","0.0465","","","0.0963","0.1115","","","","","","1.037","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208177","11.1086","0.0004","14.0384","0.0005","16.2597","0.0005","90","","97.968","0.003","90","","2511.17","0.15","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Ag I3 N2 -","- C23 H24 Ag I3 N2 -","- C92 H96 Ag4 I12 N8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0502","0.0334","","","0.0576","0.063","","","","","","1.055","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208178","12.219","0.005","17.56","0.003","12.807","0.003","90","","105.75","0.03","90","","2644.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Ag2 Br4 K0 N2 S0 -","- C24 H24 Ag2 Br4 N2 -","- C96 H96 Ag8 Br16 N8 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MoKα","","0.0729","0.0445","","","0.1017","0.1165","","","","","","0.925","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208179","19.2749","0.0009","13.4627","0.0003","13.9207","0.0007","90","","127.679","0.007","90","","2859","0.3","291.15","","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag2 I4 N2 -","- C24 H26 Ag2 I4 N2 -","- C96 H104 Ag8 I16 N8 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0407","0.0323","","","0.0675","0.0715","","","","","","1.068","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208180","8.1247","0.0007","9.132","0.0008","10.6624","0.001","101.94","0.008","94.339","0.008","107.73","0.008","729.01","0.12","290.65","","290.65","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Cu N3 S2 -","- C14 H13 Cu N3 S2 -","- C28 H26 Cu2 N6 S4 -","2","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.1022","0.0794","","","0.188","0.2099","","","","","","1.04","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208181","11.2795","0.0006","11.5483","0.0005","14.8788","0.0007","102.264","0.004","103.873","0.004","113.119","0.004","1625.26","0.17","291.15","","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cu2 I4 N3 O -","- C27 H33 Cu2 I4 N3 O -","- C54 H66 Cu4 I8 N6 O2 -","2","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0579","0.0383","","","0.0737","0.0814","","","","","","1.014","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208182","11.1577","0.0017","13.17","0.002","17.106","0.003","70.799","0.003","77.497","0.003","72.017","0.003","2239.3","0.6","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","1","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MOKα","","0.0981","0.0784","","","0.1935","0.2053","","","","","","1.094","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208183","10.8645","0.0006","17.4604","0.0006","7.1481","0.0004","90","","99.857","0.005","90","","1335.97","0.12","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu N3 S2 -","- C12 H9 Cu N3 S2 -","- C48 H36 Cu4 N12 S8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","1.5418","CuKα","","0.0437","0.034","","","0.0887","0.0958","","","","","","1.045","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208184","9.253","0.003","14.658","0.004","16.195","0.005","90","","90","","90","","2196.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Br2 N4 O2 -","- C16 H32 Br2 N4 O2 -","- C64 H128 Br8 N16 O8 -","4","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0263","0.0204","","","0.0481","0.0502","","","","","","1.04","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208185","7.3281","0.0007","12.81","0.0012","11.3249","0.001","90","","95.503","0.002","90","","1058.2","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Br2 N4 -","- C18 H32 Br2 N4 -","- C36 H64 Br4 N8 -","2","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0346","0.029","","","0.0695","0.0717","","","","","","1.06","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208186","6.1057","0.0005","14.4418","0.0013","13.3895","0.0012","90","","96.981","0.002","90","","1171.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 B2 F8 N4 -","- C18 H32 B2 F8 N4 -","- C36 H64 B4 F16 N8 -","2","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.6703","synchrotron","","0.0987","0.0861","","","0.255","0.271","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208187","8.402","0.002","8.826","0.002","23.752","0.005","79.88","0.002","86.97","0.002","63.148","0.002","1546.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.4 H45.6 Br2 N4 -","- C20 H36 Br2 N4 -","- C40 H72 Br4 N8 -","2","1","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.6703","synchrotron","","0.0716","0.0418","","","0.1","0.107","","","","","","0.86","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208188","5.1006","0.0007","6.1168","0.0008","6.9894","0.001","85.396","0.011","82.199","0.012","85.176","0.011","214.76","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","Fumaric acid:Pyrazine cocrystal","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","1","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","","","0.7107","MoKα","","0.088","0.0591","","","0.1271","0.1521","","","","","","1.068","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208189","6.9344","0.00024","13.59704","0.00073","14.51054","0.00072","90","","122.209","0.0029","90","","1157.62","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazine:phtalic acid cocrystal","pyrazine:phthalic acid cocrystal","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.034","1.064","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208190","8.5311","0.0004","5.1286","0.0002","10.2947","0.0005","90","","103.012","0.005","90","","438.85","0.04","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","","","1.5418","CuKα","","0.0529","0.0509","","","0.1348","0.1368","","","","","","1.044","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208191","3.81056","0.0001","7.07204","0.00032","11.50344","0.00044","94.9505","0.0015","93.5324","0.002","115.275","0.0018","277.604","0.019","295","","295","","","","","","","","","4","P -1","-P 1","2","pyrazine:terephthalic acid cocrystal","pyrazine:terephthalic acid cocrystal","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","1","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.016","2.445","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208192","8.6405","0.0012","16.365","0.003","26.485","0.004","90","","90","","90","","3745","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Pr S4 Sb -","- C8 H17 N6 Pr S4 Sb -","- C64 H136 N48 Pr8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0458","0.0432","","","0.0982","0.0989","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208193","8.6296","0.0013","16.264","0.003","26.393","0.004","90","","90","","90","","3704.3","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Nd S4 Sb -","- C8 H17 N6 Nd S4 Sb -","- C64 H136 N48 Nd8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0419","0.0323","","","0.0706","0.0818","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208194","8.6501","0.0005","16.2077","0.0009","26.3582","0.0017","90","","90","","90","","3695.4","0.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 S4 Sb Sm -","- C8 H17 N6 S4 Sb Sm -","- C64 H136 N48 S32 Sb8 Sm8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0592","0.0494","","","0.1036","0.1079","","","","","","1.155","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208195","15.868","0.005","9.12","0.003","13.562","0.004","90","","108.982","0.007","90","","1855.9","1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Eu N6 S4 Sb -","- C8 H26 Eu N6 S4 Sb -","- C32 H104 Eu4 N24 S16 Sb4 -","4","0.5","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0412","0.0326","","","0.0676","0.0699","","","","","","1.119","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208196","15.82","0.003","9.1718","0.0014","13.531","0.002","90","","108.997","0.004","90","","1856.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Dy N6 S4 Sb -","- C8 H26 Dy N6 S4 Sb -","- C32 H104 Dy4 N24 S16 Sb4 -","4","0.5","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.7107","MoKα","","0.0259","0.0248","","","0.0617","0.0627","","","","","","1.111","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208197","16.5428","0.0003","25.8974","0.0004","22.5225","0.0004","90","","98.881","0.001","90","","9533.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(en)(tren)]4Sb14S25","","","- C32 H104 N24 Ni4 S25 Sb14 -","- C32 H104 N24 Ni4 S25 Sb14 -","- C128 H416 N96 Ni16 S100 Sb56 -","4","1","","Seidlhofer, Beatrix; Näther, Christian; Bensch, Wolfgang","Using a Ni2+ complex as a structure-directing molecule: solvothermal synthesis and properties of [Ni(en)(tren)]4Sb14S25 featuring an unprecedented three-dimensional network architecture","CrystEngComm","2012","14","17","5441","","10.1039/c2ce25141h","","","0.71073","MoKα","","0.0469","0.0357","","","0.0763","0.08","","","","","","1.05","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208198","13.576","0.003","17.145","0.003","18.09","0.004","86.72","0.03","79.1","0.03","77.04","0.03","4028.9","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(bpy)0.5(Dy3(ip)4(phen)4(H2O))2H2O","","","- C85 H58 Dy3 N9 O19 -","- C85 H58 Dy3 N9 O19 -","- C170 H116 Dy6 N18 O38 -","2","1","","Cai, Bowei; Ren, Yanwei; Jiang, Huanfeng; Zheng, De; Shi, Dabin; Qian, Yuying; Chen, Jun","A mixed-valence lanthanide metal‒organic framework, templated by 2,2′-bipyridine formed in situ reaction: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","16","5285","","10.1039/c2ce25160d","","","0.71073","MoKα","","0.0842","0.0803","","","0.1323","0.135","","","","","","1.078","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208199","20.6365","0.0004","18.1133","0.0004","12.6984","0.0002","90","","90","","90","","4746.6","0.16","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C42 H37 B Cd3 F5 N7 O8 -","- C42 H37 B Cd3 F5 N7 O8 -","- C168 H148 B4 Cd12 F20 N28 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0348","0.0331","","","0.0874","0.0882","","","","","","1.072","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208200","22.028","0.006","12.607","0.003","23.179","0.006","90","","103.76","0.005","90","","6252","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 B2 Cd3 F9 N11 O8 -","- C60 H54 B2 Cd3 F9 N11 O8 -","- C240 H216 B8 Cd12 F36 N44 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0291","0.0269","","","0.0683","0.0703","","","","","","1.045","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208201","21.892","0.01","12.609","0.005","23.263","0.01","90","","102.894","0.007","90","","6260","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 B2 Cd3 F9 N11 O8 -","- C58 H48 B2 Cd3 F9 N11 O8 -","- C232 H192 B8 Cd12 F36 N44 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0671","0.0504","","","0.0987","0.109","","","","","","1.095","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208202","7.879","0.014","13.43","0.02","20.78","0.04","75.33","0.03","83.25","0.02","87.71","0.03","2112","6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Ba O25 S2 -","- C34 H44 Ba O25 S2 -","- C68 H88 Ba2 O50 S4 -","2","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.1197","0.0698","","","0.1544","0.1815","","","","","","1.037","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7208203","6.9077","0.0019","39.21","0.011","13.137","0.004","90","","95.785","0.004","90","","3540","1.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Ba O22 S2 -","- C30 H34 Ba O22 S2 -","- C120 H136 Ba4 O88 S8 -","4","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.1","0.0511","","","0.0853","0.0969","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208204","7.752","0.007","9.78","0.008","15.148","0.013","77.246","0.013","84.484","0.014","70.415","0.012","1055","1.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Ba O26 S2 -","- C32 H46 Ba O26 S2 -","- C32 H46 Ba O26 S2 -","1","0.5","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.0684","0.0506","","","0.1084","0.115","","","","","","0.956","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208205","7.237","0.001","8.322","0.001","37.233","0.007","93.16","0.01","93.7","0.01","90.82","0.01","2234","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Ba O28 S2 -","- C34 H46 Ba O28 S2 -","- C68 H92 Ba2 O56 S4 -","2","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.07","0.044","","","0.1019","0.1151","","","","","","1.048","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7208206","13.302","0.003","7.5138","0.0015","16.637","0.003","90","","103.61","0.03","90","","1616.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N8 Ni -","- C14 H18 N8 Ni -","- C56 H72 N32 Ni4 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Kou, Hui-Zhong; Fan, Chunhua; Zhang, Haitao; Sun, Guoxin","Spin canting and metamagnetism in the two azido-bridged 1D complexes [Ni(3,5-dmpy)2(N3)2]n and [Co1.5(3,5-dmpy)3(N3)3]n","CrystEngComm","2012","14","15","5035","","10.1039/c2ce25174d","","","0.71073","MoKα","","0.0907","0.0413","","","0.1006","0.1125","","","","","","0.96","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208207","11.559","0.002","14.136","0.003","16.174","0.003","90","","98.08","0.03","90","","2616.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Co1.5 N12 -","- C21 H27 Co1.5 N12 -","- C84 H108 Co6 N48 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Kou, Hui-Zhong; Fan, Chunhua; Zhang, Haitao; Sun, Guoxin","Spin canting and metamagnetism in the two azido-bridged 1D complexes [Ni(3,5-dmpy)2(N3)2]n and [Co1.5(3,5-dmpy)3(N3)3]n","CrystEngComm","2012","14","15","5035","","10.1039/c2ce25174d","","","0.71073","MoKα","","0.061","0.0474","","","0.122","0.1308","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208208","14.4403","0.0004","27.2329","0.0006","9.8291","0.0003","90","","90","","90","","3865.31","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H30 Cd4 O17 -","- C42 H30.002 Cd4.0004 O17.002 -","- C168 H120.008 Cd16.0016 O68.008 -","4","0.5","","Fang, Shao-Ming; Chen, Min; Yang, Xiao-Gang; Wang, Cong; Du, Miao; Liu, Chun-Sen","An unusual (4,10)-connected 3-D metal‒organic framework based on non-planar tricarboxyl tecton and tetracadmium(ii) secondary building units","CrystEngComm","2012","14","16","5299","","10.1039/c2ce25194a","","","1.54178","CuKα","","0.0706","0.063","","","0.1528","0.1578","","","","","","1.109","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208209","11.134","0.002","16.751","0.003","9.859","0.002","90","","106.73","0.03","90","","1760.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Ag N2 O6 -","- C15 H24 Ag N2 O6 -","- C60 H96 Ag4 N8 O24 -","4","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.0339","0.0271","","","0.082","0.0941","","","","","","1.127","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208210","8.9962","0.0018","25.246","0.005","35.1","0.007","90","","90","","90","","7972","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H56 Ag2 N4 O14 -","- C32 H56 Ag2 N4 O14 -","- C256 H448 Ag16 N32 O112 -","8","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.1137","0.0701","","","0.1878","0.2159","","","","","","1.036","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208211","14.5232","0.0006","21.131","0.0009","16.0399","0.0007","90","","103.615","0.002","90","","4784.2","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H26 Cd N4 O6 -","- C30 H26 Cd N4 O6 -","- C120 H104 Cd4 N16 O24 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0965","0.0493","","","0.1038","0.1112","","","","","","1.031","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208212","10.7477","0.0002","36.4644","0.0007","15.9903","0.0003","90","","93.996","0.001","90","","6251.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 Cd2 N10 O16 -","- C62 H53 Cd2 N10 O16 -","- C248 H212 Cd8 N40 O64 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.102","0.0641","","","0.1387","0.1542","","","","","","1.057","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208213","12.23","0.002","14.6964","0.0015","18.117","0.003","90","","94.946","0.014","90","","3244.2","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C120 H120 Cd4 N16 O36 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.1088","0.0489","","","0.1006","0.1204","","","","","","1.001","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208214","7.9666","0.0002","13.4111","0.0004","14.7643","0.0004","78.541","0.001","82.979","0.001","89.223","0.001","1534.3","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cd N4 O9.5 S -","- C30 H28 Cd N4 O9.5 S -","- C60 H56 Cd2 N8 O19 S2 -","2","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0399","0.0338","","","0.083","0.088","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208215","11.299","0.0001","15.7788","0.0002","16.5709","0.0002","90","","109.139","0.001","90","","2791.04","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cd N4 O9 -","- C28 H30 Cd N4 O9 -","- C112 H120 Cd4 N16 O36 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0486","0.031","","","0.0678","0.0748","","","","","","1.02","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208216","16.6358","0.0013","14.0938","0.0011","19.7424","0.0017","90","","101.88","0.003","90","","4529.7","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Sm2 -","- C84 H92 N14 O28 Sm2 -","- C168 H184 N28 O56 Sm4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0505","0.0352","","","0.0777","0.0852","","","","","","1.027","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208217","16.6144","0.0003","14.0677","0.0002","19.7534","0.0003","90","","102.096","0.001","90","","4514.39","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Eu2 N14 O28 -","- C84 H92 Eu2 N14 O28 -","- C168 H184 Eu4 N28 O56 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0798","0.0417","","","0.0759","0.0881","","","","","","1.028","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208218","16.5638","0.0002","14.0683","0.0002","19.7449","0.0003","90","","102.227","0.001","90","","4496.68","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Tb2 -","- C84 H92 N14 O28 Tb2 -","- C168 H184 N28 O56 Tb4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0638","0.0374","","","0.0724","0.0821","","","","","","1.062","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208219","16.5259","0.0005","14.0911","0.0004","19.6787","0.0006","90","","102.043","0.001","90","","4481.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Dy2 N14 O28 -","- C84 H92 Dy2 N14 O28 -","- C168 H184 Dy4 N28 O56 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0465","0.0319","","","0.0666","0.0739","","","","","","1","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208220","16.7358","0.0003","14.0425","0.0003","19.7825","0.0004","90","","101.823","0.001","90","","4550.5","0.16","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Pr2 -","- C84 H92 N14 O28 Pr2 -","- C168 H184 N28 O56 Pr4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0469","0.0335","","","0.0799","0.0882","","","","","","1.022","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208221","13.6963","0.0009","15.9834","0.0014","17.5498","0.0012","96.547","0.002","109.724","0.001","114.266","0.001","3150.8","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 N12 Nd O26 -","- C59 H51 N12 Nd O26 -","- C118 H102 N24 Nd2 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.1047","0.058","","","0.1147","0.1397","","","","","","1.011","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208222","13.6916","0.0011","15.905","0.0012","17.5187","0.0013","96.56","0.001","109.334","0.001","114.127","0.001","3144.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 Eu N12 O26 -","- C59 H51 Eu N12 O26 -","- C118 H102 Eu2 N24 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0776","0.0498","","","0.1025","0.1184","","","","","","1.026","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208223","13.6842","0.0015","15.8378","0.0017","17.499","0.0018","96.651","0.002","109.062","0.002","114.164","0.002","3130.6","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 N12 O26 Tb -","- C59 H51 N12 O26 Tb -","- C118 H102 N24 O52 Tb2 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0879","0.0562","","","0.1247","0.1463","","","","","","1.006","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208224","13.7022","0.001","15.7923","0.0011","17.4802","0.0012","96.643","0.001","108.935","0.001","114.149","0.001","3126.6","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 Er N12 O26 -","- C59 H51 Er N12 O26 -","- C118 H102 Er2 N24 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0643","0.0449","","","0.063","0.0676","","","","","","1.197","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208225","3.9099","0.0001","20.2636","0.0003","15.3093","0.0003","90","","91.346","0.001","90","","1212.6","0.04","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","coumarin-3-carboxylic acid+4,4'-bipyridine","","- C30 H20 N2 O8 -","- C30 H20 N2 O8 -","- C60 H40 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.1073","0.0565","","","0.1405","0.1641","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208226","16.3933","0.0006","4.8921","0.0002","16.5326","0.0008","90","","103.209","0.002","90","","1290.8","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","coumarin-3-carboxylic acid+4,4'-bipyridylethane","","- C32 H24 N2 O8 -","- C32 H24 N2 O8 -","- C64 H48 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.0787","0.0445","","","0.1022","0.1095","","","","","","0.893","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208227","16.2227","0.0004","5.0257","0.0001","16.315","0.0005","90","","100.918","0.001","90","","1306.09","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","coumarin-3-carboxylic acid+4,4'-bipyridylethene","","- C32 H22 N2 O8 -","- C32 H22 N2 O8 -","- C64 H44 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.054","0.0413","","","0.1003","0.1089","","","","","","1.042","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208228","13.8797","0.0002","12.9776","0.0005","7.3847","0.0006","90","","90.383","0.002","90","","1330.14","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","coumarin-3-carboxylic acid+pyridine-2,6-diamine","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.0549","0.0343","","","0.0696","0.0726","","","","","","0.981","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208229","8.893","0.002","9.167","0.002","11.326","0.003","101.69","0.02","112.91","0.02","99.21","0.02","803.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 N3 O7 Zn2 -","- C17 H11 N3 O7 Zn2 -","- C34 H22 N6 O14 Zn4 -","2","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel complexes based on hexagonal-planar {Co6} and rhombic {Zn4} clusters with different eight-connected topologies","CrystEngComm","2012","14","17","5634","","10.1039/c2ce25224d","","","0.71073","MoKα","","0.0383","0.031","","","0.0731","0.0754","","","","","","0.986","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208230","22.2357","0.0003","22.2357","0.0003","33.9623","0.0005","90","","90","","90","","16791.9","0.4","293","2","293","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C19 H18 Cl0.5 Co1.5 N6 O3.5 -","- C19 H16.5 Cl0.5 Co1.5 N6 O3.5 -","- C304 H264 Cl8 Co24 N96 O56 -","16","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel complexes based on hexagonal-planar {Co6} and rhombic {Zn4} clusters with different eight-connected topologies","CrystEngComm","2012","14","17","5634","","10.1039/c2ce25224d","","","0.71073","MoKα","","0.0723","0.0649","","","0.1844","0.193","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208231","7.094","0.005","7.094","0.005","16.721","0.015","90","","90","","120","","728.7","1","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- B6 Ba2 Mg O12 -","- B6 Ba2 Mg O12 -","- B18 Ba6 Mg3 O36 -","3","0.166667","","Li, R. K.; Ma, Yingying","Chemical engineering of a birefringent crystal transparent in the deep UV range","CrystEngComm","2012","14","17","5421","","10.1039/c2ce25240f","","","0.71075","MoKα","","0.0321","0.0278","","","0.0595","0.0686","","","","","","1.073","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208232","9.0076","0.0014","9.0531","0.0014","10.02","0.003","101.061","0.003","109.377","0.003","109.873","0.002","680.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Fe1.5 N O10 P2 -","- C8 H11 Fe1.5 N O10 P2 -","- C16 H22 Fe3 N2 O20 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0806","0.0506","","","0.1023","0.1192","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208233","8.9878","0.0013","8.9936","0.0013","9.906","0.002","100.295","0.003","109.135","0.002","110.215","0.002","670.28","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Co1.5 N O10 P2 -","- C8 H11 Co1.5 N O10 P2 -","- C16 H22 Co3 N2 O20 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0524","0.0394","","","0.0907","0.099","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208234","8.9851","0.0011","9.067","0.0011","9.88","0.002","100.371","0.002","108.901","0.002","110.549","0.002","672.71","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 N O10 P2 Zn1.5 -","- C8 H11 N O10 P2 Zn1.5 -","- C16 H22 N2 O20 P4 Zn3 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0519","0.0417","","","0.1144","0.1212","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208235","8.689","0.003","9.088","0.003","9.476","0.005","109.937","0.005","100.801","0.005","110.262","0.004","619","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H9 Cu1.5 N O9 P2 -","- C8 H9 Cu1.5 N O9 P2 -","- C16 H18 Cu3 N2 O18 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0868","0.0568","","","0.1238","0.1423","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208236","8.915","0.0005","18.9641","0.0014","9.7505","0.0005","90","","112.112","0.006","90","","1527.22","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 Cu2 N8 O10 -","- C22 H34 Cl2 Cu2 N8 O10 -","- C44 H68 Cl4 Cu4 N16 O20 -","2","0.5","","Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad","σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core","CrystEngComm","2012","14","15","4972","","10.1039/c2ce25265a","","","0.71073","MoKα","","0.03","0.0238","","","0.0603","0.0633","","","","","","0.971","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208237","10.5249","0.0011","11.8458","0.0013","14.1564","0.0015","92.248","0.004","96.654","0.003","94.316","0.003","1746.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Cl2 Cu2 N14 O9 -","- C21 H32 Cl2 Cu2 N14 O9 -","- C42 H64 Cl4 Cu4 N28 O18 -","2","1","","Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad","σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core","CrystEngComm","2012","14","15","4972","","10.1039/c2ce25265a","","","0.71073","MoKα","","0.0755","0.0428","","","0.0843","0.0976","","","","","","1.038","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208238","15.74","0.0004","15.1252","0.0004","10.9849","0.0003","90","","94.104","0.001","90","","2608.48","0.12","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","2-((1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'- dimethyl -16'-oxo-5',7'-dioxaspiro(cyclopentane-1,6'-pentacyclo (10.8.0.02,9.04,8.013,18)icosane)-14',17'-dien-8'-yl)-2-oxoethyl acetate","2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'-dimethyl -16'-oxo-5',7'-dioxaspiro[cyclopentane-1,6'-pentacyclo [10.8.0.02,9.04,8.013,18]icosane]-14',17'-dien-8'-yl]-2-oxoethyl acetate","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Pagola, Silvina; Stephens, Peter W.","Structural study of an unusually large molecular solid from powder diffraction: the sequential unravelling of hydrogen bonding and van der Waals interactions contributing to the Z′ = 2 crystal packing of amcinonide","CrystEngComm","2012","14","16","5349","","10.1039/c2ce25274k","powder diffraction","","0.69733","synchrotron","","","","","","","","","0.0611","1.46","","","","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208239","10.6908","0.0003","10.6908","0.0003","92.65","0.002","90","","90","","120","","9170.6","0.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H56 Cd Cl2 N18 O12 -","- C54 H48 Cd Cl2 N18 O12 -","- C324 H288 Cd6 Cl12 N108 O72 -","6","0.166667","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0562","0.0491","","","0.1529","0.161","","","","","","1.103","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208240","15.2257","0.0004","9.4717","0.0003","21.6848","0.0008","90","","124.913","0.002","90","","2564.4","0.15","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H23.5 Cd N6 O6 -","- C26 H24 Cd N6 O6 -","- C104 H96 Cd4 N24 O24 -","4","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0391","0.0324","","","0.0781","0.083","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208241","6.3752","0.0013","7.1912","0.0014","8.2477","0.0016","73.61","0.03","68.38","0.03","66.73","0.03","318.76","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Li O6 S -","- C3 H6 Li O6 S -","- C6 H12 Li2 O12 S2 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0464","0.0306","","","0.0697","0.0927","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208242","4.8192","0.001","7.1534","0.0014","8.3947","0.0017","92.21","0.03","93.66","0.03","101.87","0.03","282.23","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Li O5 S -","- C3 H4 Li O5 S -","- C6 H8 Li2 O10 S2 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0507","0.0451","","","0.1095","0.1252","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208243","36.593","0.007","12.589","0.003","10.619","0.002","90","","90","","90","","4891.8","1.8","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H38 Li12 O49 S6 -","- C18 H38 Li12 O49 S6 -","- C72 H152 Li48 O196 S24 -","4","0.5","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0558","0.0496","","","0.1239","0.129","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208244","18.13","0.004","9.0962","0.0018","13.786","0.003","90","","90","","90","","2273.5","0.8","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C6 H8 Li N O8 S2 -","- C6 H8 Li N O8 S2 -","- C48 H64 Li8 N8 O64 S16 -","8","","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0324","0.0309","","","0.0911","0.0922","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208245","7.7858","0.0016","8.8783","0.0018","9.1955","0.0018","83","0.03","66.68","0.03","75.45","0.03","564.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Li2 O10 S2 -","- C6 H8 Li2 O10 S2 -","- C12 H16 Li4 O20 S4 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0373","0.0295","","","0.078","0.1018","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208246","13.552","0.003","15.623","0.003","7.5203","0.0015","90","","90","","90","","1592.2","0.6","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H7 Li2 O7 S -","- C3 H7 Li2 O7 S -","- C24 H56 Li16 O56 S8 -","8","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0363","0.0328","","","0.0902","0.0951","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208247","12.7186","0.0018","12.7186","0.0018","14.914","0.003","90","","90","","120","","2089.3","0.6","153","","153","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K6 Li3 O30 Sc2 -","- B15 K6 Li2.996 O30 Sc2 -","- B45 K18 Li8.988 O90 Sc6 -","3","0.166667","","Zhao, Sangen; Zhang, Guochun; Yao, Jiyong; Wu, Yicheng","K6Li3Sc2B15O30: A new nonlinear optical crystal with a short absorption edge","CrystEngComm","2012","14","16","5209","","10.1039/c2ce25304f","","","0.71073","MoKα","","0.0663","0.0607","","","0.0925","0.0946","","","","","","1.399","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208248","10.5079","0.0009","12.9602","0.0011","13.1352","0.0011","93.012","0.006","111.868","0.005","112.108","0.005","1498.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N3 O3 -","- C14 H23 N3 O3 -","- C56 H92 N12 O12 -","4","2","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0942","0.0536","","","0.1378","0.1684","","","","","","1.099","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208249","9.3456","0.001","15.431","0.0017","16.3804","0.0018","86.584","0.003","73.955","0.003","84.942","0.003","2259.9","0.4","227","2","227","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H64 N8 O12 -","- C43 H64 N8 O12 -","- C86 H128 N16 O24 -","2","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71073","MoKα","","0.0995","0.0466","","","0.0945","0.1074","","","","","","0.939","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208250","12.226","0.002","11.891","0.002","13.689","0.002","90","","90","","90","","1990.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Paracetamol_morpholine","","","- C10 H13.5 N1.5 O2.5 -","- C10 H13.5 N O3 -","- C80 H108 N8 O24 -","8","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0526","0.0459","","","0.1476","0.1524","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208251","17.236","0.002","6.6721","0.0008","12.6429","0.0015","90","","104.02","0.002","90","","1410.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O5 Sr -","- C15 H10 N2 O5 Sr -","- C60 H40 N8 O20 Sr4 -","4","1","","Guo, Mengwei; Chen, Nan; Yue, Zhifang; Zhang, Yu; Li, Gang","Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand","CrystEngComm","2012","14","15","4955","","10.1039/c2ce25314c","","","0.71073","MoKα","","0.0765","0.0437","","","0.0827","0.0896","","","","","","1.07","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208252","22.658","0.003","22.658","0.003","14.766","0.004","90","","90","","90","","7581","2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H14 Cd N2 O5 -","- C17 H14 Cd N2 O5 -","- C272 H224 Cd16 N32 O80 -","16","1","","Guo, Mengwei; Chen, Nan; Yue, Zhifang; Zhang, Yu; Li, Gang","Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand","CrystEngComm","2012","14","15","4955","","10.1039/c2ce25314c","","","0.71073","MoKα","","0.0974","0.0694","","","0.2166","0.2419","","","","","","1.013","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208253","3.7935","0.0002","27.8954","0.0016","7.0172","0.0004","90","","94.891","0.003","90","","739.86","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-methoxysalicylic acid","'3-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0532","0.042","","","0.1122","0.1187","","","","","","1.083","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208254","17.9971","0.0003","14.3789","0.0002","6.7337","0.0001","90","","91.121","0.001","90","","1742.2","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-methoxysalicylic acid monohydrate","3-methoxy-2-hydroxobenzoic acid monohydrate","","- C8 H10 O5 -","- C8 H10 O5 -","- C64 H80 O40 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0435","0.0368","","","0.0912","0.0959","","","","","","1.062","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208255","3.5943","0.0002","21.115","0.002","10.7227","0.001","90","","98.95","0.006","90","","803.88","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitro-2-hydroxybenzoic acid","3-nitro-2-hydroxybenzoic acid","","- C7 H7 N O6 -","- C7 H5 N O6 -","- C28 H20 N4 O24 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1163","0.0669","","","0.137","0.1548","","","","","","1.068","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208256","13.5482","0.0008","5.0245","0.0003","12.9394","0.0006","90","","90","","90","","880.82","0.08","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-actyamino-2-hydroxobenzoic acid","4-actyamino-2-hydroxobenzoic acid","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0415","0.0368","","","0.0913","0.0948","","","","","","1.055","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208257","7.1371","0.0003","3.7278","0.0002","24.4465","0.0012","90","","94.386","0.002","90","","648.51","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-amino-2-hydroxobenzoic acid","4-amino-2-hydroxobenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.056","0.0458","","","0.1123","0.1221","","","","","","1.053","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208258","3.7241","0.0002","14.4178","0.0008","12.9156","0.0006","90","","97.933","0.003","90","","686.85","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-chlorosalicylic acid","4-chloro-2-hydroxobenzoic acid","","- C7 H5 Cl O3 -","- C7 H5 Cl O3 -","- C28 H20 Cl4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0638","0.0488","","","0.0944","0.1033","","","","","","1.098","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208259","4.9629","0.0002","11.0915","0.0008","13.6559","0.0009","90","","98.788","0.004","90","","742.88","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-methoxy-2-hydroxobenzoic acid","4-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.064","0.0481","","","0.1178","0.1274","","","","","","1.098","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208260","3.8685","0.0003","7.238","0.0009","13.2142","0.0015","100.756","0.005","93.271","0.007","90.788","0.007","362.8","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","4-methylsalicylic acid","4-methyl-2-hydroxobenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C16 H16 O6 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1054","0.0653","","","0.1704","0.1947","","","","","","1.077","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208261","3.7472","0.0004","11.5109","0.0017","21.979","0.003","90","","90","","90","","948","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-acetylamino-2-hydroxobenzoic acid monohydrate","5-acetylamino-2-hydroxobenzoic acid monohydrate","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1151","0.0804","","","0.1573","0.1788","","","","","","1.082","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208262","3.7239","0.0002","7.3696","0.0004","23.3107","0.0011","90","","91.806","0.003","90","","639.41","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-aminosalicylic_acid","5-amino-2-hydroxobenzoic acid monohydrate","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.068","0.046","","","0.1159","0.127","","","","","","1.04","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208263","4.8514","0.0001","11.6936","0.0003","14.4341","0.0003","109.991","0.001","98.066","0.002","101.168","0.001","735.75","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-bromosalicylic acid alpha","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C28 H20 Br4 O12 -","4","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0247","0.0212","","","0.049","0.0509","","","","","","1.074","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208264","6.9625","0.0002","7.1714","0.0003","8.016","0.0003","82.112","0.002","73.835","0.002","71.272","0.002","363.56","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-bromosalicylic acid beta","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0298","0.025","","","0.0532","0.0584","","","","","","1.192","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208265","38.4671","0.0015","4.5765","0.0002","19.93","0.0007","90","","118.789","0.002","90","","3074.9","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-iodosalicylic_acid","5-iodo-2-hydroxobenzoic acid","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C112 H80 I16 O48 -","16","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0493","0.034","","","0.0695","0.0812","","","","","","1.08","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208266","4.8289","0.0001","12.1776","0.0003","14.6529","0.0004","109.752","0.001","97.974","0.002","100.626","0.002","778","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C28 H20 I4 O12 -","4","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0308","0.0259","","","0.0578","0.0602","","","","","","1.109","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208267","3.9784","0.0001","16.1049","0.0004","11.5198","0.0003","90","","90.261","0.002","90","","738.09","0.03","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxysalicylic acid","5-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0405","0.0375","","","0.0985","0.1017","","","","","","1.051","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208268","7.281","0.0003","5.0146","0.0002","20.2789","0.0007","90","","95.498","0.002","90","","737","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-methyl-2-hydroxobenzoic acid","5-methyl-2-hydroxobenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0672","0.0534","","","0.1203","0.1307","","","","","","1.094","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208269","5.1246","0.0005","8.7762","0.0008","9.2674","0.0009","62.252","0.006","75.292","0.006","82.654","0.007","356.76","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-nitrosalicylic acid monohydrate","5-nitro-2-hydroxobenzoic acid monohydrate","","- C7 H5 N O5 -","- C7 H5 N O5 -","- C14 H10 N2 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0734","0.0474","","","0.1115","0.1278","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208270","23.3708","0.001","3.7089","0.0001","16.5722","0.0007","90","","104.853","0.002","90","","1388.48","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-chlorosalicylic acid","5-chloro-2-hydroxobenzoic acid","","- C7 H5 Cl O3 -","- C7 H5 Cl O3 -","- C56 H40 Cl8 O24 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0829","0.0489","","","0.1034","0.1206","","","","","","1.042","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208271","3.7289","0.0001","8.243","0.0004","13.0565","0.0007","80.768","0.002","87.719","0.003","83.755","0.003","393.67","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-chloro-2-hydroxobenzoic acid monohydrate","5-chloro-2-hydroxobenzoic acid monohydrate","","- C7 H7 Cl O4 -","- C7 H7 Cl O4 -","- C14 H14 Cl2 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0342","0.0304","","","0.075","0.0776","","","","","","1.076","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208272","5.3146","0.0002","5.2118","0.0002","22.5378","0.001","90","","91.907","0.003","90","","623.92","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-fluorosalicylic acid","6-fluoro-2-hydroxobenzoic acid","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C28 H20 F4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0581","0.0484","","","0.1213","0.1276","","","","","","1.087","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208273","6.6697","0.0002","9.3476","0.0004","12.2016","0.0005","90","","104.305","0.002","90","","737.13","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-methoxysalicylic acid","6-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0599","0.0514","","","0.1418","0.1491","","","","","","1.132","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208274","4.8894","0.0003","11.2411","0.0013","11.3347","0.0013","90","","91.919","0.007","90","","622.63","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","salicylic acid","2-hydroxobenzoic acid","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1041","0.0656","","","0.108","0.1251","","","","","","1.105","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208275","6.1364","0.0011","9.5989","0.0017","11.437","0.002","70.149","0.002","86.359","0.003","82.98","0.003","628.72","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","1","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0444","0.038","","","0.0925","0.0981","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208276","6.1901","0.0016","9.381","0.003","12.462","0.003","104.29","0.004","90.952","0.004","97.561","0.004","694.3","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0456","0.0364","","","0.0872","0.0934","","","","","","1.058","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208277","6.1559","0.0005","12.1831","0.0011","18.1485","0.0015","90","","99.044","0.001","90","","1344.2","0.2","297","2","297","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H10 F8 I4 -","- C24 H10 F8 I4 -","- C48 H20 F16 I8 -","2","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0524","0.0404","","","0.093","0.1","","","","","","1.035","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208278","12.935","0.005","14.708","0.005","15.359","0.005","90","","90","","90","","2922","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N4 O12 Zn2 -","- C21 H21 N4 O12 Zn2 -","- C84 H84 N16 O48 Zn8 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0468","0.0383","","","0.0995","0.1063","","","","","","0.931","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208279","20.573","0.005","20.573","0.005","20.573","0.005","90","","90","","90","","8707","4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C108 H135 N13 O57 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.1762","0.1016","","","0.2972","0.3583","","","","","","1.091","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208280","20.6155","0.0007","20.6155","0.0007","20.6155","0.0007","90","","90","","90","","8761.6","0.5","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C110 H138 N12 O56 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71073","MoKα","","0.1019","0.0764","","","0.2512","0.2702","","","","","","1.077","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208281","9.32","0.005","16.107","0.005","12.608","0.005","90","","100.942","0.005","90","","1858.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O7 Zn -","- C15 H11 N2 O7 Zn -","- C60 H44 N8 O28 Zn4 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0874","0.0486","","","0.1101","0.1269","","","","","","0.973","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208282","43.648","0.005","43.648","0.005","17.371","0.005","90","","90","","120","","28661","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49 H69 N7 O22 Zn3 -","- C27 H9 O18 Zn3 -","- C486 H162 O324 Zn54 -","18","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0933","0.0604","","","0.1923","0.2218","","","","","","1.064","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208283","23.461","0.005","23.461","0.005","23.461","0.005","90","","90","","90","","12913","5","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C118 H189 N17 O53 Zn9 -","- C54 H18 N2 O41 Zn9 -","- C216 H72 N8 O164 Zn36 -","4","0.166667","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0551","0.0398","","","0.0785","0.0817","","","","","","0.945","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208284","17.441","0.005","35.188","0.005","17.398","0.005","90","","90","","90","","10677","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C85 H107 N7 O42 Zn9 -","- C55 H39 N2 O38.3 Zn9 -","- C220 H156 N8 O153.2 Zn36 -","4","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.082","0.0541","","","0.1557","0.1672","","","","","","0.951","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208285","11.235","0.002","18.637","0.003","18.65","0.003","109.493","0.003","104.117","0.002","92.378","0.002","3537.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 Hg3 I6 N8 -","- C66 H80 Hg3 I6 N8 -","- C132 H160 Hg6 I12 N16 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0504","0.0421","","","0.1388","0.1761","","","","","","1.062","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7208286","15.963","0.0011","15.487","0.001","34.67","0.002","90","","99.601","0.001","90","","8451","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38.5 Br4 Hg2 N7.5 -","- C40 H38.5 Br4 Hg2 N7.5 -","- C320 H308 Br32 Hg16 N60 -","8","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0535","0.0361","","","0.0836","0.091","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208287","9.7774","0.0006","11.1171","0.0007","15.9735","0.001","102.341","0.001","91.038","0.001","108.911","0.001","1597.4","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Ag2 Cl2 N4 O2 -","- C34 H34 Ag2 Cl2 N4 O2 -","- C68 H68 Ag4 Cl4 N8 O4 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0428","0.0371","","","0.0908","0.0953","","","","","","1.032","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208288","18.8237","0.001","20.2191","0.001","12.437","0.0006","90","","103.507","0.001","90","","4602.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 N6 O3 Pd2 -","- C42 H50 Cl4 N6 O3 Pd2 -","- C168 H200 Cl16 N24 O12 Pd8 -","4","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0419","0.0312","","","0.0953","0.1035","","","","","","1.048","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208289","11.3332","0.0005","13.3581","0.0006","13.9474","0.0007","67.478","0.001","76.863","0.001","71.084","0.001","1832.23","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Ag2 Cl2 N4 O2 -","- C38 H42 Ag2 Cl2 N4 O2 -","- C76 H84 Ag4 Cl4 N8 O4 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0829","0.0674","","","0.1993","0.2152","","","","","","1.069","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208290","10.8829","0.0011","19.1733","0.0018","17.7442","0.0016","90","","103.147","0.002","90","","3605.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Ag2 Cl2 N4 O2 -","- C37 H40 Ag2 Cl2 N4 O2 -","- C148 H160 Ag8 Cl8 N16 O8 -","4","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0564","0.0357","","","0.0818","0.0945","","","","","","1.013","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208291","10.9386","0.0005","21.6466","0.0011","16.7369","0.0007","90","","105.344","0.001","90","","3821.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H44 Ag2 Cl2 N4 O2 -","- C39 H44 Ag2 Cl2 N4 O2 -","- C156 H176 Ag8 Cl8 N16 O8 -","4","0.5","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0735","0.067","","","0.2216","0.2289","","","","","","1.042","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208292","10.411","0.005","15.209","0.0018","14.1301","0.0016","90","","109.71","0.03","90","","2106.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Mn2 N10 Nb O6 -","- C12 H4 Mn2 N10 Nb O6 -","- C48 H16 Mn8 N40 Nb4 O24 -","4","1","","Pinkowicz, Dawid; Kurpiewska, Katarzyna; Lewiński, Krzysztof; Bałanda, Maria; Mihalik, Marian; Zentková, Maria; Sieklucka, Barbara","High-pressure single-crystal XRD and magnetic study of a octacyanoniobate-based magnetic sponge","CrystEngComm","2012","14","16","5224","","10.1039/c2ce25387a","","","0.71073","MoKα","","0.0864","0.07","","","0.1748","0.1926","","","","","","0.882","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208293","7.9395","0.0007","15.2318","0.0008","17.7558","0.0013","90","","93.632","0.006","90","","2142.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cd N4 S2 -","- C12 H10 Cd N4 S2 -","- C72 H60 Cd6 N24 S12 -","6","0.75","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","","","0.71073","MoKα","","0.0657","0.0466","","","0.0892","0.0959","","","","","","1.128","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208294","8.7915","0.0009","8.7921","0.0007","16.1275","0.0018","92.773","0.006","95.879","0.006","114.341","0.007","1124.1","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","catena-Poly(bis(thiocyanato-kN)bis(pyridine-kN)cadmium(ii))","catena-Poly[bis(thiocyanato-kN)bis(pyridine-kN)cadmium(II)]","","- C12 H10 Cd N4 S2 -","- C12 Cd N4 S2 -","- C36 Cd3 N12 S6 -","3","1.5","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","powder diffraction","","1.54056","CuKα","","","","","","","","","2.7794","","","","","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208295","5.9496","0.0003","12.2417","0.0008","13.8473","0.0007","90","","102.234","0.004","90","","985.64","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cd N3 S2 -","- C7 H5 Cd N3 S2 -","- C28 H20 Cd4 N12 S8 -","4","1","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","","","0.71073","MoKα","","0.0249","0.0218","","","0.0454","0.0465","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208296","17.232","0.002","17.232","0.002","16.444","0.003","90","","90","","90","","4882.9","1.2","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C72 H84 Cd3 I6 N36 -","- C72 H80 Cd3 I6 N36 -","- C144 H160 Cd6 I12 N72 -","2","0.25","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0894","0.084","","","0.22","0.2267","","","","","","1.05","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208297","12.365","0.004","17.032","0.005","24.275","0.008","89.682","0.007","89.479","0.005","88.829","0.007","5111","3","386","2","383","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H96 Cu4 I6 N42 O24 -","- C72 H89 Cu4 I6 N42 O24 -","- C144 H178 Cu8 I12 N84 O48 -","2","1","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0563","0.043","","","0.0936","0.1003","","","","","","0.986","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208298","29.688","0.004","15.4772","0.0018","25.663","0.003","90","","119.778","0.001","90","","10235","2","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H101 Mo8 N16 Ni O50 P V6 -","- C68 H96 Mo8 N16 Ni O50 P V6 -","- C272 H384 Mo32 N64 Ni4 O200 P4 V24 -","4","0.5","","Fu, Jie; Sun, Haixia; Xu, Yan; Wang, Congling; Zhu, Dunru; Sun, Qi; Liu, Hongke","[Ni(C17H20N4)4][H5PMoVI8VIV4O40(VIVO)2]·8H2O: confinement of heteropoly anions in Ni-containing rigid concave surfaces with high catalytic activity in the oxidation of styrene","CrystEngComm","2012","14","16","5148","","10.1039/c2ce25419k","","","0.71073","MoKα","","0.0767","0.0474","","","0.1235","0.1346","","","","","","1.084","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208299","23.681","0.002","9.6928","0.0007","35.389","0.003","90","","92.789","0.001","90","","8113.4","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H43 Cd N2 O10.5 -","- C38 H41 Cd N2 O10.5 -","- C304 H328 Cd8 N16 O84 -","8","1","","Ma, Chunhua; Wu, Yong; Zhang, Jun; Xu, Yan; Tu, Beibei; Zhou, Yaoming; Fang, Min; Liu, Hong-Ke","A 6-fold interpenetrated ThSi2 topological metal‒organic framework from a nanosized tripodal aromatic acid","CrystEngComm","2012","14","16","5166","","10.1039/c2ce25422k","","","0.71073","MoKα","","0.1083","0.0715","","","0.1895","0.2026","","","","","","1.238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208300","12.606","0.003","12.606","0.003","19.668","0.004","90","0.015","90","0.018","120","0.019","2706.7","1.2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H42 N6 Na8 Ni2 O33 -","- C30 H12 N6 Na7.98 Ni2 O33.02 -","- C60 H24 N12 Na15.96 Ni4 O66.04 -","2","0.166667","","Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly, metal binding ability, and magnetic properties of dinickel(ii) and dicobalt(ii) triple mesocates","CrystEngComm","2012","14","17","5639","","10.1039/c2ce25434d","","x-ray","0.71073","MoKα","","0.1043","0.0767","","","0.1925","0.214","","","","","","1.126","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208301","12.625","0.002","12.625","0.002","19.867","0.002","90","","90","","120","","2742.4","0.7","250","2","250","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H46 Co2 N6 Na8 O35 -","- C30 H12 Co2 N6 Na7.98 O35.03 -","- C60 H24 Co4 N12 Na15.96 O70.06 -","2","0.166667","","Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly, metal binding ability, and magnetic properties of dinickel(ii) and dicobalt(ii) triple mesocates","CrystEngComm","2012","14","17","5639","","10.1039/c2ce25434d","","","0.71073","MoKα","","0.1107","0.0809","","","0.239","0.2621","","","","","","1.134","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208302","19.3555","0.001","21.7874","0.0011","16.0415","0.0008","90","","92.452","0.001","90","","6758.6","0.6","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B72 H181 Na32 Ni4 O314 V48 -","- B72 Na32 Ni4 O314 V48 -","- B72 Na32 Ni4 O314 V48 -","1","0.125","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.0612","0.0587","","","0.1687","0.1708","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208303","19.442","0.005","21.81","0.005","16.07","0.005","90","0.005","92.496","0.005","90","0.005","6808","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H99 B36 N4 Na10 Ni2 O152 V24 -","- C4 B36 N4 Na10 Ni2 O152 V24 -","- C8 B72 N8 Na20 Ni4 O304 V48 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.0975","0.0717","","","0.2114","0.2406","","","","","","1.09","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208304","19.348","0.004","21.786","0.004","16.051","0.003","90","","91.82","0.03","90","","6762","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B36 H61 Na18 O144 V24 Zn -","- B36 Na18 O144 V24 Zn -","- B72 Na36 O288 V48 Zn2 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.1333","0.0725","","","0.2139","0.2695","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208305","23.605","0.005","13.445","0.005","24.054","0.005","90","0.005","99.623","0.005","90","0.005","7527","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H79 B18 N16 O63 V12 Zn3 -","- C16 H64 B18 N16 O63 V12 Zn3 -","- C64 H256 B72 N64 O252 V48 Zn12 -","4","0.5","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.1337","0.0593","","","0.149","0.1696","","","","","","1.065","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208306","13.8436","0.0005","6.4099","0.0002","20.5475","0.0008","90","","125.007","0.002","90","","1493.44","0.1","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- B K5 O34 P4 Ta8 -","- B K5 O34 P4 Ta8 -","- B2 K10 O68 P8 Ta16 -","2","0.5","","Babaryk, Artem A.; Odynets, Ievgen V.; Slobodyanik, Nikolay S.; Baumer, Vyacheslav N.; Khainakov, Sergei","Structure-driven mixed-site borate‒phosphate K5Ta8BP4O34: synthesis, structural, spectroscopic and theoretical study","CrystEngComm","2012","14","15","5071","","10.1039/c2ce25451d","","","0.71073","MoKα","","0.0413","0.0282","","","0.0626","0.0666","","","","","","1.079","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208307","7.143","0.003","14.458","0.006","29.544","0.013","90","","90","","90","","3051","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl2 N6 O3 Zn -","- C32 H28 Cl2 N6 O3 Zn -","- C128 H112 Cl8 N24 O12 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0825","0.0517","","","0.1056","0.1174","","","","","","1.006","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208308","24.274","0.004","16.062","0.003","8.8413","0.0016","90","","90","","90","","3447.1","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C134 H122 Br8 N24 O11 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0656","0.0398","","","0.0923","0.1023","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208309","24.058","0.009","15.927","0.007","8.73","0.004","90","","90","","90","","3345","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H27.6 Br2 N6 O2.8 Zn -","- C32 H27.6 Br2 N6 O2.8 Zn -","- C128 H110.4 Br8 N24 O11.2 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1371","0.0616","","","0.136","0.1607","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208310","25.815","0.002","8.8838","0.0008","28.137","0.003","90","","90","","90","","6452.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 I2 N6 O2 Zn -","- C32 H26 I2 N6 O2 Zn -","- C256 H208 I16 N48 O16 Zn8 -","8","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1025","0.0449","","","0.0845","0.1046","","","","","","0.992","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208311","11.713","0.003","20.677","0.006","15.911","0.003","90","","125.323","0.014","90","","3144.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl2 Hg N6 O2 -","- C32 H26 Cl2 Hg N6 O2 -","- C128 H104 Cl8 Hg4 N24 O8 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.046","0.0309","","","0.0756","0.083","","","","","","1.037","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208312","11.86","0.003","20.465","0.005","15.636","0.003","90","","124.868","0.012","90","","3113.8","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 Hg N6 O2 -","- C32 H26 Br2 Hg N6 O2 -","- C128 H104 Br8 Hg4 N24 O8 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0505","0.0297","","","0.0573","0.0639","","","","","","1.018","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208313","7.6281","0.0008","28.162","0.003","9.1674","0.0009","90","","113.643","0.001","90","","1804.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Hg I2 N3 O -","- C16 H13 Hg I2 N3 O -","- C64 H52 Hg4 I8 N12 O4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0354","0.0309","","","0.0715","0.0735","","","","","","1.069","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208314","11.3563","0.0011","13.2471","0.0015","14.6072","0.0017","96.239","0.001","101.522","0.002","91.305","0.001","2138.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cd F N2 O6 -","- C21 H21 Cd F N2 O6 -","- C84 H84 Cd4 F4 N8 O24 -","4","2","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0489","0.0298","","","0.0598","0.0702","","","","","","1.031","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208315","18.3303","0.0018","10.4149","0.0011","20.581","0.002","90","","97.284","0.001","90","","3897.4","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cu2 F2 N4 O9 -","- C42 H36 Cu2 F2 N4 O9 -","- C168 H144 Cu8 F8 N16 O36 -","4","0.5","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0639","0.0391","","","0.0735","0.0788","","","","","","1.037","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208316","11.6891","0.0008","14.1824","0.0013","12.0379","0.0008","90","","92.574","0.006","90","","1993.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Cu2 F2 N4 O10 -","- C42 H38 Cu2 F2 N4 O10 -","- C84 H76 Cu4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.1007","0.076","","","0.1962","0.2188","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208317","11.6305","0.0017","14.158","0.002","12.0363","0.0017","90","","94.73","0.003","90","","1975.2","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 F2 N4 Ni2 O10 -","- C42 H38 F2 N4 Ni2 O10 -","- C84 H76 F4 N8 Ni4 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0527","0.0433","","","0.1072","0.1128","","","","","","1.038","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208318","11.553","0.0017","14.24","0.002","12.0157","0.0018","90","","95.639","0.003","90","","1967.2","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Co2 F2 N4 O10 -","- C42 H38 Co2 F2 N4 O10 -","- C84 H76 Co4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0829","0.0595","","","0.1036","0.115","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208319","9.5127","0.0019","46.843","0.009","11.521","0.002","90","","113.441","0.003","90","","4710.1","1.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N6 -","- C31 H22 N6 -","- C248 H176 N48 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.2022","0.0623","","","0.1377","0.2197","","","","","","0.915","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208320","14.682","0.005","26.74","0.005","17.568","0.005","90","0.005","112.864","0.005","90","0.005","6355","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 I2 N6 Zn -","- C31 H22 I2 N6 Zn -","- C248 H176 I16 N48 Zn8 -","8","1","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.1475","0.0735","","","0.1942","0.2193","","","","","","1.02","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208321","16.459","0.0014","26.123","0.002","17.6798","0.0015","90","","115.536","0.001","90","","6859","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl3 N8 S2 Zn -","- C34 H23 Cl3 N8 S2 Zn -","- C272 H184 Cl24 N64 S16 Zn8 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.221","0.1086","","","0.3013","0.3857","","","","","","1.127","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208322","18.938","0.005","10.356","0.005","29.755","0.005","90","0.005","101.461","0.005","90","0.005","5719","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H48 Cd Cl2 N12 O9 -","- C63 H48 Cd Cl2 N12 O9 -","- C252 H192 Cd4 Cl8 N48 O36 -","4","1","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.0606","0.0467","","","0.1235","0.1415","","","","","","1.083","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208323","15.643","0.005","51.938","0.005","16.613","0.005","90","0.005","115.008","0.005","90","0.005","12232","6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H22.5 Br2 Cd Cl1.5 N6 -","- C31.5 H22.5 Br2 Cd Cl1.5 N6 -","- C504 H360 Br32 Cd16 Cl24 N96 -","16","4","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.1906","0.088","","","0.2143","0.2479","","","","","","1.248","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7208324","18.095","0.005","18.724","0.005","20.836","0.005","109.899","0.005","102.332","0.005","107.921","0.005","5903","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H51 Cl2 N12 O11.5 Zn -","- C62 H44 Cl2 N12 O11.5 Zn -","- C248 H176 Cl8 N48 O46 Zn4 -","4","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.1392","0.0821","","","0.2185","0.248","","","","","","1.458","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7208325","16.3236","0.0003","26.861","0.0005","15.7429","0.0003","90","","115.566","0.001","90","","6226.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H23 Cd Cl I2 N6 -","- C31.5 H23 Cd Cl I2 N6 -","- C252 H184 Cd8 Cl8 I16 N48 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.081","0.0481","","","0.1408","0.1638","","","","","","1.032","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208326","16.0369","0.0006","24.0453","0.0009","25.0434","0.0009","90","","90.651","0.002","90","","9656.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C32 H48 Cu F12 N10 O8 S4 -","- C32 H48 Cu F12 N10 O8 S4 -","- C256 H384 Cu8 F96 N80 O64 S32 -","8","2","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0764","0.0577","","","0.1278","0.1365","","","","","","1.052","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208327","8.991","0.002","9.438","0.003","14.654","0.003","89.594","0.015","72.209","0.013","62.905","0.013","1041.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C24 H32 Cu F12 N10 O8 S4 -","- C24 H32 Cu F12 N10 O8 S4 -","- C24 H32 Cu F12 N10 O8 S4 -","1","0.5","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.102","0.0823","","","0.1745","0.1841","","","","","","0.99","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208328","9.1104","0.0005","9.6323","0.0005","10.659","0.0007","68.139","0.004","85.255","0.005","87.828","0.004","865.11","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C20 H24 Cu F12 N10 O8 S4 -","- C20 H24 Cu F12 N10 O8 S4 -","- C20 H24 Cu F12 N10 O8 S4 -","1","0.5","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0659","0.057","","","0.1458","0.152","","","","","","1.055","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208329","8.2207","0.0002","20.3211","0.0004","27.0612","0.0005","90","","92.363","0.002","90","","4516.83","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","hexakis(N-methylimidazole)cobalt(II) bistriflimide","hexakis(N-methylimidazole)cobalt(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 Co F12 N14 O8 S4 -","- C28 H36 Co F12 N14 O8 S4 -","- C112 H144 Co4 F48 N56 O32 S16 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","0.71073","MoKα","","0.0415","0.0302","","","0.0771","0.0793","","","","","","1.066","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208330","8.2018","0.0002","20.3183","0.0005","26.938","0.0008","90","","92.341","0.003","90","","4485.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","hexakis(N-methylimidazole)nickel(II) bistriflimide","hexakis(N-methylimidazole)nickel(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 F12 N14 Ni O8 S4 -","- C28 H36 F12 N14 Ni O8 S4 -","- C112 H144 F48 N56 Ni4 O32 S16 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","0.71073","MoKα","","0.0593","0.0466","","","0.1187","0.1225","","","","","","1.037","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208331","8.2933","0.0003","11.1971","0.0003","24.1682","0.0007","91.145","0.001","93.419","0.001","92.945","0.002","2236.73","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","hexakis(N-methylimidazole)copper(II) bistriflimide","hexakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 Cu F12 N14 O8 S4 -","- C28 H36 Cu F12 N14 O8 S4 -","- C56 H72 Cu2 F24 N28 O16 S8 -","2","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0403","0.0368","","","0.0946","0.0972","","","","","","1.059","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208332","14.07","0.004","15.3","0.004","27.431","0.008","90","","90","","90","","5905","3","123","","123","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C1.5 H6 As5 N S8 -","- C1.5 H6 As5 N S8 -","- C24 H96 As80 N16 S128 -","16","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0227","0.0205","","","0.0491","0.0497","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208333","17.299","0.009","11.951","0.007","23.254","0.013","90","","90","","90","","4808","5","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- As8 H8 N2 S13 -","- As8 H8 N2 S13 -","- As64 H64 N16 S104 -","8","1","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0615","0.0533","","","0.1398","0.1475","","","","","","1.021","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208334","9.4829","0.0007","17.0177","0.0013","14.5741","0.0011","90","","101.881","0.001","90","","2301.5","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0425","0.036","","","0.094","0.0991","","","","","","1.044","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208335","9.39","0.0007","17.1409","0.0014","14.6595","0.0012","90","","102.038","0.002","90","","2307.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0548","0.0421","","","0.1043","0.1126","","","","","","1.013","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208336","9.3901","0.0001","17.1534","0.0001","14.8607","0.0002","90","","102.328","0.001","90","","2338.45","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 O2 P2 S2 -","- C58 H46 O2 P2 S2 -","- C116 H92 O4 P4 S4 -","2","0.5","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","1.5418","CuKα","","0.0468","0.0395","","","0.0981","0.1022","","","","","","1.024","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208337","11.9199","0.0002","14.3119","0.0004","13.7279","0.0004","90","","102.026","0.002","90","","2290.53","0.1","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 O2 P2 S2 -","- C58 H46 O2 P2 S2 -","- C116 H92 O4 P4 S4 -","2","0.5","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0629","0.0462","","","0.0991","0.1077","","","","","","1.04","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208338","9.517","","17.083","","14.581","","90","","101.96","","90","","2319.1","","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1106","0.0454","","","0.0831","0.0946","","","","","","0.857","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208339","9.3791","0.0002","17.2497","0.0003","14.7021","0.0004","90","","102.069","0.002","90","","2326.03","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1263","0.0534","","","0.1124","0.1262","","","","","","0.866","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208340","9.37","0.0002","17.2807","0.0003","14.7363","0.0003","90","","102.134","0.002","90","","2332.8","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.123","0.0469","","","0.0949","0.1065","","","","","","0.84","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208341","9.3726","0.0002","17.2873","0.0003","14.7499","0.0003","90","","102.167","0.002","90","","2336.2","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1268","0.0472","","","0.0948","0.1073","","","","","","0.844","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208342","9.3734","0.0002","17.2887","0.0003","14.7596","0.0003","90","","102.19","0.002","90","","2337.92","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1276","0.048","","","0.0994","0.1124","","","","","","0.849","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208343","9.3741","0.0002","17.2885","0.0003","14.7653","0.0003","90","","102.202","0.002","90","","2338.87","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1293","0.049","","","0.0992","0.1133","","","","","","0.853","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208344","9.3749","0.0002","17.2881","0.0003","14.7691","0.0003","90","","102.22","0.002","90","","2339.45","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1308","0.0487","","","0.0954","0.1091","","","","","","0.833","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208345","9.3761","0.0002","17.2872","0.0002","14.7712","0.0003","90","","102.226","0.002","90","","2339.91","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1064","0.0518","","","0.1319","0.1439","","","","","","1.002","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208346","9.3781","0.0002","17.2875","0.0002","14.7775","0.0003","90","","102.232","0.002","90","","2341.4","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1301","0.0496","","","0.0996","0.1131","","","","","","0.852","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208347","9.4946","0.0002","17.0479","0.0004","14.5784","0.0004","90","","101.951","0.002","90","","2308.56","0.1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0856","0.0508","","","0.099","0.1122","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208348","9.4645","0.0002","17.0968","0.0004","14.5914","0.0004","90","","102.008","0.003","90","","2309.41","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.074","0.0464","","","0.0895","0.1012","","","","","","1.023","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208349","9.4512","0.0002","17.1319","0.0004","14.6123","0.0005","90","","102.013","0.003","90","","2314.17","0.11","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29.001 H23 O P S -","- C116.004 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0865","0.0506","","","0.0929","0.1076","","","","","","1.021","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208350","9.407","0.005","17.207","0.005","14.659","0.005","90","0.005","102.087","0.005","90","0.005","2320.2","1.6","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1331","0.0669","","","0.1265","0.1559","","","","","","1.063","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208351","9.3704","0.0014","17.241","0.003","14.693","0.002","90","","102.056","0.002","90","","2321.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.6889","synchrotron","","0.0948","0.0646","","","0.1536","0.1865","","","","","","1.098","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208352","9.3801","0.0002","17.258","0.0002","14.737","0.0003","90","","102.273","0.002","90","","2331.13","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1299","0.0496","","","0.103","0.1176","","","","","","0.835","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208353","9.406","0.005","17.312","0.005","14.818","0.005","90","0.005","102.305","0.005","90","0.005","2357.5","1.6","221","2","221","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1213","0.0558","","","0.1123","0.1293","","","","","","1.023","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208354","9.4598","0.001","16.9974","0.0014","14.5643","0.0013","90","","101.853","0.009","90","","2291.9","0.4","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0465","0.0379","","","0.0826","0.0887","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208355","9.4904","0.0003","17.0028","0.0005","14.5622","0.0004","90","","101.951","0.003","90","","2298.87","0.12","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0461","0.0377","","","0.0836","0.089","","","","","","1.026","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208356","9.3365","0.0005","17.1396","0.0006","14.7354","0.0013","90","","102.311","0.008","90","","2303.8","0.3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.085","0.0639","","","0.1349","0.1485","","","","","","1.11","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208357","9.3733","0.0003","17.2097","0.0005","14.8077","0.0005","90","","102.379","0.003","90","","2333.12","0.13","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0857","0.064","","","0.1338","0.1463","","","","","","1.063","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208358","9.3833","0.0003","17.1058","0.0004","14.6168","0.0003","90","","102.04","0.003","90","","2294.52","0.11","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0836","0.06","","","0.1346","0.1517","","","","","","1.034","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208359","14.3036","0.0007","21.7219","0.001","25.5475","0.0011","90","","90","","90","","7937.6","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H31.7 F N5.25 Ni O6 S4 -","- C34.5 H30.875 F N5.25 Ni O6 S4 -","- C276 H247 F8 N42 Ni8 O48 S32 -","8","2","","Takahashi, Kiyonori; Hoshino, Norihisa; Kubo, Kazuya; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Cation‒anion packing and molecular motion in (m-fluoroanilinium)(dibenzo[18]crown-6)[Ni(mnt)2]−(CH3CN)0.25 crystals","CrystEngComm","2012","14","16","5235","","10.1039/c2ce25493j","","","0.71075","MoKα","","","0.0423","","","","0.0727","","","","","","0.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208360","12.5467","0.0006","19.1791","0.001","5.7446","0.0002","90","","97.251","0.003","90","","1371.29","0.11","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 I N2 O2 S -","- C12 H8 F3 I N2 O2 S -","- C48 H32 F12 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0399","0.0284","","","0.0663","0.0698","","","","","","0.997","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208361","12.7165","0.0008","19.5032","0.0014","5.6759","0.0003","90","","99.204","0.004","90","","1389.57","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 I2 N2 O2 S -","- C11 H8 I2 N2 O2 S -","- C44 H32 I8 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1008","0.0469","","","0.0999","0.1133","","","","","","0.971","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208362","12.3761","0.0005","19.3231","0.0007","5.5652","0.0002","90","","98.824","0.001","90","","1315.14","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I N2 O2 S -","- C11 H8 Br I N2 O2 S -","- C44 H32 Br4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0406","0.033","","","0.0779","0.081","","","","","","0.998","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208363","12.191","0.0005","19.2471","0.0007","5.5793","0.0002","90","","98.441","0.001","90","","1294.95","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl I N2 O2 S -","- C11 H8 Cl I N2 O2 S -","- C44 H32 Cl4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0335","0.027","","","0.0581","0.0601","","","","","","1.083","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208364","11.21","0.0003","18.4797","0.0004","6.0146","0.0002","90","","97.104","0.002","90","","1236.4","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F I N2 O2 S -","- C11 H8 F I N2 O2 S -","- C44 H32 F4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0271","0.024","","","0.0522","0.0537","","","","","","0.892","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208365","12.365","0.004","19.488","0.003","5.6711","0.0018","90","","99.63","0.03","90","","1347.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8.81 Br0.73 F2.19 I0.27 N2 O2 S -","- C12 H8.81 Br0.73 F2.19 I0.27 N2 O2 S -","- C48 H35.24 Br2.92 F8.76 I1.08 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1403","0.0824","","","0.1581","0.1797","","","","","","0.95","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208366","10.5231","0.0005","19.2374","0.0007","6.2008","0.0002","90","","94.353","0.001","90","","1251.65","0.09","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I N2 O2 S -","- C11 H9 I N2 O2 S -","- C44 H36 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0934","0.0791","","","0.1831","0.193","","","","","","0.992","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208367","12.4694","0.0006","19.4348","0.0009","5.7709","0.0001","90","","99.01","0.003","90","","1381.27","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F6 N2 O2 S -","- C13 H8 F6 N2 O2 S -","- C52 H32 F24 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.064","0.049","","","0.1254","0.1344","","","","","","0.972","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208368","12.7889","0.0004","19.4009","0.0008","5.727","0.0002","90","","100.65","0.002","90","","1396.48","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11.96 H8 F2.88 I1.04 N2 O2 S -","- C11.96 H8 F2.88 I1.04 N2 O2 S -","- C47.84 H32 F11.52 I4.16 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0833","0.0898","","","","","","0.886","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208369","12.3877","0.0006","19.4324","0.0009","5.7076","0.0002","90","","100.458","0.002","90","","1351.13","0.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br F3 N2 O2 S -","- C12 H8 Br F3 N2 O2 S -","- C48 H32 Br4 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0527","0.0351","","","0.0872","0.0936","","","","","","0.941","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208370","12.1508","0.0007","19.4666","0.0011","5.6756","0.0002","90","","99.863","0.003","90","","1322.64","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl F3 N2 O2 S -","- C12 H8 Cl F3 N2 O2 S -","- C48 H32 Cl4 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0541","0.0434","","","0.1139","0.1202","","","","","","1.003","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208371","11.1914","0.0009","19.087","0.0015","5.9552","0.0003","90","","97.357","0.005","90","","1261.62","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F4 N2 O2 S -","- C12 H8 F4 N2 O2 S -","- C48 H32 F16 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0675","0.0506","","","0.1296","0.1381","","","","","","1.011","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208372","12.1514","0.0011","19.549","0.002","5.6316","0.0005","90","","99.286","0.006","90","","1320.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F3 N2 O2 S -","- C13 H11 F3 N2 O2 S -","- C52 H44 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.075","0.0488","","","0.117","0.1292","","","","","","1.025","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208373","10.8792","0.0008","18.802","0.002","6.1463","0.0006","90","","95.248","0.007","90","","1252","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 N2 O2 S -","- C12 H9 F3 N2 O2 S -","- C48 H36 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1013","0.0783","","","0.1639","0.1764","","","","","","0.916","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208374","27.9106","0.001","27.9106","0.001","9.8447","0.0007","90","","90","","90","","7669","0.7","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C352 H352 N32 O32 -","16","1","","Pang, Tao; Shang, Jie; Yang, Qin-Wan; Sun, Yu; Wu, An-Xin; Jiang, Hua","An unprecedented triple helix based on the tetrameric assembly of a macrocycle driven by weak C‒H⋯π and C‒H⋯O interactions","CrystEngComm","2012","14","16","5170","","10.1039/c2ce25549a","","","0.71073","MoKα","","0.1018","0.0938","","","0.2019","0.2055","","","","","","1.25","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208375","11.4965","0.0014","9.5446","0.0012","17.128","0.002","90","","95.203","0.002","90","","1871.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Pang, Tao; Shang, Jie; Yang, Qin-Wan; Sun, Yu; Wu, An-Xin; Jiang, Hua","An unprecedented triple helix based on the tetrameric assembly of a macrocycle driven by weak C‒H⋯π and C‒H⋯O interactions","CrystEngComm","2012","14","16","5170","","10.1039/c2ce25549a","","","0.71073","MoKα","","0.1099","0.0692","","","0.1543","0.1747","","","","","","0.975","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208376","7.83","0.002","10.912","0.003","12.498","0.004","106.544","0.003","96.596","0.003","99.562","0.003","994.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Co2 N O12 -","- C17 H15 Co2 N O12 -","- C34 H30 Co4 N2 O24 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Two topologically new trinodal cobalt(ii) metal‒organic frameworks characterized as a 1D metallic oxide and a 2D →3D penetrated porous solid","CrystEngComm","2012","14","16","5315","","10.1039/c2ce25556a","","","0.71073","MoKα","","0.0575","0.0477","","","0.1324","0.1396","","","","","","1.06","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208377","13.5752","0.0016","10.2329","0.0012","31.409","0.004","90","","98.156","0.001","90","","4319","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C78 H64 Co3 N10 O20 -","- C78 H64 Co3 N10 O20 -","- C156 H128 Co6 N20 O40 -","2","0.5","","Liu, Guang-Zhen; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Two topologically new trinodal cobalt(ii) metal‒organic frameworks characterized as a 1D metallic oxide and a 2D →3D penetrated porous solid","CrystEngComm","2012","14","16","5315","","10.1039/c2ce25556a","","","0.71073","MoKα","","0.067","0.044","","","0.1086","0.1171","","","","","","1","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208378","7.475","0.006","13.365","0.01","13.784","0.01","98.9","0.04","102.77","0.03","105.84","0.05","1257.6","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N4 O9 -","- C24 H25 Cl N4 O9 -","- C48 H50 Cl2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.1069","0.0518","","","0.1101","0.124","","","","","","0.81","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208379","7.6818","0.0006","13.3835","0.0011","13.8995","0.0012","99.08","0.01","103.12","0.05","106.33","0.03","1297.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N4 O9 -","- C24 H25 Br N4 O9 -","- C48 H50 Br2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.0515","0.0344","","","0.0854","0.0928","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208380","15.2304","0.0007","8.9608","0.0004","20.056","0.001","90","","101.073","0.003","90","","2686.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N5 O12 -","- C24 H25 N5 O12 -","- C96 H100 N20 O48 -","4","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.277","0.0611","","","0.0874","0.1162","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208381","11.03","0.002","12.045","0.002","20.673","0.004","81.84","0.03","81.39","0.03","74.74","0.03","2604.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 N4 O20 Zn3 -","- C54 H45 N4 O20 Zn3 -","- C108 H90 N8 O40 Zn6 -","2","1","","Tan, Yi; Chen, Hengjun; Zhang, Jie; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong","Synthesis of a 3D photochromic coordination polymer with an interpenetrating arrangement: crystal engineering for electron transfer between donor and acceptor units","CrystEngComm","2012","14","16","5137","","10.1039/c2ce25618e","","","0.71073","MoKα","","0.1046","0.0603","","","0.1617","0.1981","","","","","","1.053","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208382","11.236","0.005","8.459","0.003","15.532","0.006","90","","90.586","0.001","90","","1476.2","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H19 Ca N O13.5 P3 -","- C3 H16 Ca N O13.5 P3 -","- C12 H64 Ca4 N4 O54 P12 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.6889","Synchrotron","","0.0739","0.0557","","","0.1354","0.1585","","","","","","1.101","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208383","6.943","0.005","7.581","0.006","9.662","0.006","92.734","0.005","106.176","0.01","112.524","0.014","444.3","0.6","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H10 Ca O9 P2 -","- C2 H6 Ca O9 P2 -","- C4 H12 Ca2 O18 P4 -","2","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.71075","MoKα","","0.0833","0.0707","","","0.2432","0.2858","","","","","","1.287","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208384","5.334","0.0002","14.225","0.0003","13.092","0.0004","90","","92.121","0.0014","90","","992.69","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 Ca N O8 P -","- C5 H10 Ca N O8 P -","- C20 H40 Ca4 N4 O32 P4 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.71073","MoKα","","0.0418","0.0337","","","0.1247","0.1313","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208385","7.098","0.002","26.678","0.008","12.591","0.003","90","","91.191","0.015","90","","2383.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H30 Mg N2 O20 P2 -","- C10 H22 Mg N2 O20 P2 -","- C40 H88 Mg4 N8 O80 P8 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","1.54178","CuKα","","0.1624","0.0814","","","0.1711","0.216","","","","","","1.039","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208386","17.445","0.004","13.883","0.003","24.348","0.005","90","","90","","90","","5897","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SU-71","","","- C10.62 H32.32 Ge7 N5.31 O17 -","- C10.62 H3 Ge7 N5.31 O17 -","- C84.96 H24 Ge56 N42.48 O136 -","8","1","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0714","0.0679","","","0.1735","0.1763","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208387","23.062","0.005","32.711","0.007","23.936","0.005","90","","96.77","0.03","90","","17931","7","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","SU-72","","","- C63.33 H273.22 Ge85 N38 O218 -","- C12 H36 Ge85 N12 O218 -","- C24 H72 Ge170 N24 O436 -","2","0.25","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","","","0.2361","0.0995","","","0.239","0.2691","","","","","","1.073","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208388","54.371","0.011","8.86","0.0018","31.224","0.006","90","","90","","90","","15041","5","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","SU-73","","","- C46.56 H154.45 Ge35.26 N23.28 O88.56 -","- C46.56 H12.5 Ge35.26 N23.28 O88.56 -","- C186.24 H50 Ge141.04 N93.12 O354.24 -","4","0.5","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0784","0.0535","","","0.136","0.1464","","","","","","1.005","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208389","41.616","0.008","15.67","0.003","15.67","0.003","90","","90","","90","","10219","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Eu6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Eu6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Eu24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0568","0.0402","","","0.08","0.0824","","","","","","0.897","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208390","26.089","0.005","13.499","0.003","13.337","0.003","90","","90","","90","","4697","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Eu N8 S4 Sb -","- C12 H36 Eu N8 S4 Sb -","- C96 H288 Eu8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0242","0.0202","","","0.0416","0.0435","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208391","13.44","0.003","13.324","0.003","26.002","0.005","90","","90","","90","","4656.3","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Gd N8 S4 Sb -","- C12 H36 Gd N8 S4 Sb -","- C96 H288 Gd8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0387","0.0237","","","0.0456","0.05","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208392","13.441","0.003","13.312","0.003","26.026","0.005","90","","90","","90","","4656.7","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Er N8 S4 Sb -","- C12 H36 Er N8 S4 Sb -","- C96 H288 Er8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0495","0.0268","","","0.0526","0.06","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208393","15.543","0.003","15.647","0.003","41.256","0.008","90","","90","","90","","10034","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 N30 O4 S14 Sb4 Y6 -","- C48 H138 Cl2 N30 O4 S14 Sb4 Y6 -","- C192 H552 Cl8 N120 O16 S56 Sb16 Y24 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0962","0.0511","","","0.0977","0.1121","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208394","15.548","0.003","15.682","0.003","41.22","0.008","90","","90","","90","","10050","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Er6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Er6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Er24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0425","0.0365","","","0.0774","0.08","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208395","14.281","0.003","15.686","0.003","16.025","0.003","90","","104.33","0.03","90","","3478.1","1.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48.5 Cl Gd2 N10 O2.25 S4 Sb -","- C16 H48 Cl Gd2 N10 O2.25 S4 Sb -","- C64 H192 Cl4 Gd8 N40 O9 S16 Sb4 -","4","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0221","0.0188","","","0.0423","0.0436","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208396","13.4409","0.0008","15.3904","0.0008","19.3895","0.001","90","","91.252","0.003","90","","4010","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag2 N10 O6 -","- C16 H16 Ag2 N10 O6 -","- C128 H128 Ag16 N80 O48 -","8","2","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0533","0.0308","","","0.061","0.0692","","","","","","1.038","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208397","11.8432","0.0004","12.4409","0.0004","15.8426","0.0004","90","","109.147","0.001","90","","2205.12","0.12","296","2","296.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C34 H35 Ag3 Cl3 N17 O12 -","- C34 H35 Ag3 Cl3 N17 O12 -","- C68 H70 Ag6 Cl6 N34 O24 -","2","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0221","0.0204","","","0.0477","0.0485","","","","","","1.033","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208398","21.9927","0.0005","12.7858","0.0003","11.2203","0.0003","90","","90","","90","","3155.08","0.13","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H12 Ag F6 N6 P -","- C12 H12 Ag F6 N6 P -","- C96 H96 Ag8 F48 N48 P8 -","8","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.027","0.0203","","","0.0483","0.0516","","","","","","1.042","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208399","15.1751","0.0003","15.1751","0.0003","22.5604","0.0008","90","","90","","90","","5195.3","0.2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H36 N6 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Shen, Lingjuan; Gray, Danielle; Masel, Richard I.; Girolami, Gregory S.","Synthesis and characterization of a zinc metal‒organic framework with chiral nano-pores","CrystEngComm","2012","14","16","5145","","10.1039/c2ce25780g","","","1.54178","CuKα","","0.0427","0.0422","","","0.1174","0.1178","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208400","19.5999","0.0018","28.716","0.003","19.817","0.0018","90","","112.339","0.0012","90","","10316.6","1.7","97","","97","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C144 H96 N12 O24 Rh6 -","- C144 H86 N12 O24 Rh6 -","- C288 H172 N24 O48 Rh12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0559","","","","0.1731","","","","","","1.076","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208401","19.709","0.003","28.892","0.004","20.386","0.003","90","","113.556","0.002","90","","10641","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Rh6 -","- C144 H78 F12 N12 O24 Rh6 -","- C288 H156 F24 N24 O48 Rh12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0728","","","","0.217","","","","","","0.959","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208402","19.686","0.003","28.643","0.004","19.816","0.003","90","","112.198","0.003","90","","10345","3","97","","97","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C144 H96 N12 O24 Ru6 -","- C144 H96 N12 O24 Ru6 -","- C288 H192 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0593","","","","0.1501","","","","","","0.872","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208403","19.738","0.003","28.91","0.004","19.689","0.003","90","","112.663","0.003","90","","10368","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Ru6 -","- C144 H70 F12 N12 O24 Ru6 -","- C288 H140 F24 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0716","","","","0.2226","","","","","","1.079","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208404","19.732","0.003","28.95","0.003","20.193","0.003","90","","113.269","0.002","90","","10597","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Ru6 -","- C144 H78 F12 N12 O24 Ru6 -","- C288 H156 F24 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0647","","","","0.1985","","","","","","1.063","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208405","8.922","0.004","13.157","0.006","13.644","0.006","90","","92.214","0.008","90","","1600.4","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H40 Mo2 N4 O17 -","- C22 H40 Mo2 N4 O17 -","- C44 H80 Mo4 N8 O34 -","2","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0307","0.0301","","","0.0804","0.0812","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208406","7.529","0.003","7.752","0.003","10.903","0.003","71.991","0.012","76.257","0.015","83.426","0.014","587.3","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","1","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0223","0.0206","","","0.0504","0.072","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208407","8.8341","0.0003","17.4965","0.0007","17.9724","0.0006","90","","90","","90","","2777.92","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N5 O14 Sm Zn -","- C21 H24 N5 O14 Sm Zn -","- C84 H96 N20 O56 Sm4 Zn4 -","4","1","","Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius","One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand.","Physical chemistry chemical physics : PCCP","2012","14","32","11448","11456","10.1039/c2cp41026e","","","0.71073","MoKα","","0.0696","0.0435","","","0.0532","0.0573","","","","","","0.956","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208408","8.895","0.0007","13.2908","0.0011","13.3864","0.001","83.147","0.006","71.607","0.006","73.388","0.006","1438.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 N5 O15 Tb Zn -","- C21 H26 N5 O15 Tb Zn -","- C42 H52 N10 O30 Tb2 Zn2 -","2","1","","Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius","One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand.","Physical chemistry chemical physics : PCCP","2012","14","32","11448","11456","10.1039/c2cp41026e","","","0.71073","MoKα","","0.0585","0.0379","","","0.0761","0.0819","","","","","","0.957","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208409","8.9096","0.0006","13.3969","0.0009","13.3013","0.0009","83.137","0.005","73.461","0.005","71.472","0.005","1442.35","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Gd N5 O15 Zn -","- C21 H26 Gd N5 O15 Zn -","- C42 H52 Gd2 N10 O30 Zn2 -","2","1","","Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius","One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand.","Physical chemistry chemical physics : PCCP","2012","14","32","11448","11456","10.1039/c2cp41026e","","","0.71073","MoKα","","0.0477","0.0377","","","0.0883","0.0923","","","","","","1.038","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208410","11.373","0.002","11.8524","0.0015","13.975","0.002","95.484","0.012","112.666","0.017","91.976","0.013","1725.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl6 N2 O5 -","- C34 H28 Cl6 N2 O5 -","- C68 H56 Cl12 N4 O10 -","2","1","","Khurana, Jitender M.; Chaudhary, Ankita; Lumb, Anshika; Nand, Bhaskara","An expedient four-component domino protocol for the synthesis of novel benzo[a]phenazine annulated heterocycles and their photophysical studies","Green Chemistry","2012","14","8","2321","","10.1039/c2gc35644a","","","0.71073","MoKα","","0.1296","0.0871","","","0.2353","0.2639","","","","","","1.055","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208411","8.8902","0.0003","38.4841","0.0012","10.2135","0.0003","90","","103.613","0.001","90","","3396.19","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 N4 O12 S4 -","- C28 H40 N4 O12 S4 -","- C112 H160 N16 O48 S16 -","4","1","","Delahaye, Emilie; Göbel, Ronald; Löbbicke, Ruben; Guillot, Régis; Sieber, Christoph; Taubert, Andreas","Silica ionogels for proton transport","Journal of Materials Chemistry","2012","22","33","17140","","10.1039/c2jm00037g","","x-ray","0.71073","MoKα","","0.0729","0.0433","","","0.0971","0.11","","","","","","1.011","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208412","19.346","0.002","24.081","0.003","14.2543","0.0015","90","","90","","90","","6640.7","1.3","273","2","273","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C10 H4 Ca N3 O5 -","- C10 H4 Ca N3 O5 -","- C160 H64 Ca16 N48 O80 -","16","","","Mallick, Arijit; Schön, Eva-Maria; Panda, Tamas; Sreenivas, K.; Díaz, David Díaz; Banerjee, Rahul","Fine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels","Journal of Materials Chemistry","2012","22","30","14951","","10.1039/c2jm30866e","","","0.71073","MoKα","","0.0642","0.0567","","","0.1671","0.1728","","","","","","1.083","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208413","10.242","0.005","19.254","0.009","24.7","0.012","84.455","0.007","79.483","0.008","89.85","0.007","4766","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H55 Fe N6 O3 Se3 -","- C51.5 H55 Fe N6 O3 Se3 -","- C206 H220 Fe4 N24 O12 Se12 -","4","2","","Akhtar, Masood; Akhtar, Javeed; Malik, Mohammad Azad; Tuna, Floriana; Helliwell, Madeleine; O'Brien, Paul","Deposition of iron selenide nanocrystals and thin films from tris(N,N-diethyl-N′-naphthoylselenoureato)iron(iii)","Journal of Materials Chemistry","2012","22","30","14970","","10.1039/c2jm31291c","","","0.71073","MoKα","","0.1218","0.1038","","","0.2402","0.249","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208414","10.6549","0.0012","14.5638","0.0016","16.0435","0.0017","99.783","0.002","102.396","0.002","101.834","0.002","2319.5","0.4","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O9 Zn1.5 -","- C32 H26 N2 O9 Zn1.5 -","- C64 H52 N4 O18 Zn3 -","2","1","","Guo, Min; Sun, Zhong-Ming","Solvents control over the degree of interpenetration in metal-organic frameworks and their high sensitivities for detecting nitrobenzene at ppm level","Journal of Materials Chemistry","2012","22","31","15939","","10.1039/c2jm32066e","","","0.71073","MoKα","","0.1274","0.0931","","","0.2923","0.3245","","","","","","1.153","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208415","8.981","0.0005","12.2471","0.0007","15.8888","0.0009","76.827","0.001","75.953","0.001","79.384","0.001","1635.31","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O9 Zn1.5 -","- C32 H26 N2 O9 Zn1.5 -","- C64 H52 N4 O18 Zn3 -","2","1","","Guo, Min; Sun, Zhong-Ming","Solvents control over the degree of interpenetration in metal-organic frameworks and their high sensitivities for detecting nitrobenzene at ppm level","Journal of Materials Chemistry","2012","22","31","15939","","10.1039/c2jm32066e","","","0.71073","MoKα","","0.0776","0.0636","","","0.1955","0.2114","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208416","11.9556","0.001","5.7003","0.0004","15.8568","0.0019","90","","119.774","0.007","90","","937.99","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(acetonitrile)bis(acetylacetonato)vanadium(III) tetrafluoroborate","bis(acetonitrile)bis(acetylacetonato)vanadium(III) tetrafluoroborate","","- C14 H20 B F4 N2 O4 V -","- C14 H20 B F4 N2 O4 V -","- C28 H40 B2 F8 N4 O8 V2 -","2","0.5","","Kohl, Julia; Wiedemann, Dennis; Nakhal, Suliman; Bottke, Patrick; Ferro, Noel; Bredow, Thomas; Kemnitz, Erhard; Wilkening, Martin; Heitjans, Paul; Lerch, Martin","Synthesis of ternary transition metal fluorides Li3MF6via a sol‒gel route as candidates for cathode materials in lithium-ion batteries","Journal of Materials Chemistry","2012","22","31","15819","","10.1039/c2jm32133e","","x-ray","0.71073","MoKα","","0.0633","0.045","","","0.1044","0.1093","","","","","","0.98","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208417","29.187","0.004","13.3717","0.0018","15.048","0.002","90","","109.333","0.002","90","","5541.8","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Br2 N2 O2 Pt -","- C28 H34 Br2 N2 O2 Pt -","- C224 H272 Br16 N16 O16 Pt8 -","8","1","","Zhang, Jie; Zhao, Fangchao; Zhu, Xunjin; Wong, Wai-Kwok; Ma, Dongge; Wong, Wai-Yeung","New phosphorescent platinum(ii) Schiff base complexes for PHOLED applications","Journal of Materials Chemistry","2012","22","32","16448","","10.1039/c2jm32266h","","","0.71073","MoKα","","0.0461","0.0417","","","0.1052","0.1076","","","","","","1.069","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208418","22.369","0.005","8.74","0.005","8.395","0.005","90","0.005","94.859","0.005","90","0.005","1635.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N4 O8 -","- C34 H50 N4 O8 -","- C68 H100 N8 O16 -","2","0.5","","Yu, Zhipeng; Duan, Yaya; Cheng, Longhuai; Han, Zhili; Zheng, Zheng; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Aggregation induced emission in the rotatable molecules: the essential role of molecular interaction","Journal of Materials Chemistry","2012","22","33","16927","","10.1039/c2jm32405a","","","0.71069","MoKα","","0.038","0.0363","","","0.1356","0.1398","","","","","","1.259","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208419","20.005","0.005","7.828","0.005","20.366","0.005","90","0.005","102.714","0.005","90","0.005","3111","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N6 -","- C33 H45 N6 -","- C132 H180 N24 -","4","1","","Yu, Zhipeng; Duan, Yaya; Cheng, Longhuai; Han, Zhili; Zheng, Zheng; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Aggregation induced emission in the rotatable molecules: the essential role of molecular interaction","Journal of Materials Chemistry","2012","22","33","16927","","10.1039/c2jm32405a","","","0.71069","MoKα","","0.0838","0.0533","","","0.1378","0.1728","","","","","","0.862","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208420","9.189","0.003","11.486","0.004","17.918","0.006","80.253","0.006","81.343","0.005","86.819","0.005","1841.7","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 La N O13 -","- C35 H32 La N O13 -","- C70 H64 La2 N2 O26 -","2","1","","Dang, Song; Ma, En; Sun, Zhong-Ming; Zhang, Hongjie","A layer-structured Eu-MOF as a highly selective fluorescent probe for Fe3+ detection through a cation-exchange approach","Journal of Materials Chemistry","2012","22","33","16920","","10.1039/c2jm32661b","","","0.71073","MoKα","","0.0582","0.0481","","","0.1374","0.1481","","","","","","1.076","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208421","9.3193","0.0011","11.8459","0.0014","17.601","0.002","82.597","0.002","82.102","0.002","87.194","0.002","1907.6","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 N O13 Y -","- C35 H34 N O13 Y -","- C70 H68 N2 O26 Y2 -","2","1","","Dang, Song; Ma, En; Sun, Zhong-Ming; Zhang, Hongjie","A layer-structured Eu-MOF as a highly selective fluorescent probe for Fe3+ detection through a cation-exchange approach","Journal of Materials Chemistry","2012","22","33","16920","","10.1039/c2jm32661b","","","0.71073","MoKα","","0.1182","0.071","","","0.2108","0.2436","","","","","","1.05","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208422","4.5346","0.0013","13.251","0.004","22.712","0.006","90","","90.203","0.005","90","","1364.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 I6 N2 O2 Pb2 -","- C12 H18 I6 N2 O2 Pb2 -","- C24 H36 I12 N4 O4 Pb4 -","2","0.5","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Sun, Jing; Xu, Zhong-Ning; Guo, Guo-Cong; Huang, Jin-Shun","A novel inorganic‒organic hybrid for detection of nitrite anions with extremely high sensitivity and selectivity","Journal of Materials Chemistry","2012","22","33","16742","","10.1039/c2jm32830e","","","0.71073","MoKα","","0.0685","0.0422","","","0.0738","0.0767","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208423","11.4398","0.0002","13.2955","0.0002","26.2483","0.0004","90","","90","","90","","3992.31","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 Co2 N8 O11 -","- C36 H42 Co2 N8 O11 -","- C144 H168 Co8 N32 O44 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0369","0.0289","","","0.0679","0.0691","","","","","","1.003","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208424","11.3503","0.0003","13.1581","0.0003","26.213","0.0006","90","","90","","90","","3914.87","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Co2 N4 O9 -","- C24 H18 Co2 N4 O9 -","- C96 H72 Co8 N16 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0567","0.0479","","","0.1572","0.1624","","","","","","1.173","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208425","11.249","0.004","13.238","0.004","26.05","0.009","90","","90","","90","","3879","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Co2 N6 O9 -","- C28 H24 Co2 N6 O9 -","- C112 H96 Co8 N24 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0954","0.0856","","","0.2186","0.2343","","","","","","1.174","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208426","11.3749","0.0004","13.3596","0.0005","25.9691","0.0011","90","","90","","90","","3946.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Co2 N4 O9 -","- C30 H30 Co2 N4 O9 -","- C120 H120 Co8 N16 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0509","0.046","","","0.1375","0.1433","","","","","","1.144","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208427","11.379","0.003","13.386","0.004","25.904","0.008","90","","90","","90","","3946","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H18 Co2 N4 O10 -","- C32 H18 Co2 N4 O10 -","- C128 H72 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0743","0.0671","","","0.1995","0.2176","","","","","","1.056","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208428","11.269","0.0017","13.382","0.002","25.592","0.004","90","","90","","90","","3859.3","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Co2 N4 O9.5 -","- C26 H23 Co2 N4 O9.5 -","- C104 H92 Co8 N16 O38 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0338","0.0326","","","0.1043","0.1052","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208429","11.4777","0.0002","13.3164","0.0003","26.0307","0.0004","90","","90","","90","","3978.57","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Co2 N4 O10 -","- C32 H28 Co2 N4 O10 -","- C128 H112 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0532","0.0479","","","0.1665","0.1725","","","","","","1.178","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208430","11.4659","0.0003","13.2732","0.0003","26.1201","0.0012","90","","90","","90","","3975.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Co2 N4 O10 -","- C32 H28 Co2 N4 O10 -","- C128 H112 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0737","0.0567","","","0.1789","0.1964","","","","","","1.156","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208431","19.822","0.007","20.141","0.007","6.596","0.003","90","","102.289","0.005","90","","2573","1.7","153","","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Ge S2 -","- C32 H22 Ge S2 -","- C128 H88 Ge4 S8 -","4","0.5","","Kondo, Ryosuke; Yasuda, Takuma; Yang, Yu Seok; Kim, Jun Yun; Adachi, Chihaya","Highly luminescent π-conjugated dithienometalloles: photophysical properties and their application in organic light-emitting diodes","Journal of Materials Chemistry","2012","22","33","16810","","10.1039/c2jm33526c","","","0.71075","MoKα","","","0.0439","","","","0.1065","","","","","","1","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208432","19.549","0.007","19.718","0.006","6.618","0.002","90","","101.413","0.005","90","","2500.6","1.4","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 S2 Si -","- C32 H22 S2 Si -","- C128 H88 S8 Si4 -","4","0.5","","Kondo, Ryosuke; Yasuda, Takuma; Yang, Yu Seok; Kim, Jun Yun; Adachi, Chihaya","Highly luminescent π-conjugated dithienometalloles: photophysical properties and their application in organic light-emitting diodes","Journal of Materials Chemistry","2012","22","33","16810","","10.1039/c2jm33526c","","","0.71075","MoKα","","","0.0312","","","","0.0879","","","","","","1.083","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208433","16.192","0.003","15.167","0.003","13.658","0.003","90","","96.209","0.003","90","","3334.5","1.2","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 O2 S3 -","- C20 H12 O2 S3 -","- C160 H96 O16 S24 -","8","1","","Kondo, Ryosuke; Yasuda, Takuma; Yang, Yu Seok; Kim, Jun Yun; Adachi, Chihaya","Highly luminescent π-conjugated dithienometalloles: photophysical properties and their application in organic light-emitting diodes","Journal of Materials Chemistry","2012","22","33","16810","","10.1039/c2jm33526c","","","0.71075","MoKα","","","0.0506","","","","0.1299","","","","","","1.171","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208434","16.011","0.003","5.987","0.0012","19.649","0.004","90","","111.46","0.03","90","","1752.9","0.7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H9 I3 N4 S -","- C12 H9 I3 N4 S -","- C48 H36 I12 N16 S4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0585","0.0329","","","0.07","0.0787","","","","","","1.049","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208435","15.91","0.001","8.392","0.001","16.09","0.001","90","","101.14","0.01","90","","2107.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 I5 N4 S -","- C12 H9 I5 N4.002 S1.018 -","- C48 H36 I20 N16.008 S4.072 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0677","0.0281","","","0.0532","0.0549","","","","","","0.624","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208436","11.773","0.002","8.06","0.001","18.058","0.003","90","","108.44","0.01","90","","1625.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br2 I N4 S -","- C12 H9 Br2 I N3.998 S0.986 -","- C48 H36 Br8 I4 N15.992 S3.944 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0416","0.0285","","","0.063","0.064","","","","","","0.841","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208437","10.905","0.004","11.753","0.01","16.185","0.006","75.08","0.04","72.27","0.03","80.78","0.05","1902","2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 I6 N8 O S2 -","- C28 H16 I6 N7.999 O S1.9974 -","- C56 H32 I12 N15.998 O2 S3.9948 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.1253","0.062","","","0.175","0.2001","","","","","","1.073","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208438","13.306","0.0009","24.8569","0.0018","14.2466","0.001","90","","93.29","0.01","90","","4704.2","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Br2 I N4 S -","- C12 H9 Br2 I N4.00067 S0.973333 -","- C144 H108 Br24 I12 N48.008 S11.68 -","12","3","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0886","0.0507","","","0.1622","0.171","","","","","","1.054","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208439","10.406","0.003","17.329","0.004","10.443","0.005","90","","99.05","0.03","90","","1859.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 I4 N4 S -","- C12 H8 I4 N4.02 S0.982 -","- C48 H32 I16 N16.08 S3.928 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.088","0.0294","","","0.0531","0.0617","","","","","","1.026","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208440","5.66513","0.00016","9.0127","0.0004","9.7723","0.0005","109.318","0.004","102.263","0.003","100.163","0.003","443.35","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0405","0.0351","","","0.0939","0.0973","","","","","","1.067","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208441","5.66521","0.00018","8.9987","0.0004","9.7696","0.0005","109.516","0.004","102.251","0.003","100.096","0.003","442.06","0.04","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0412","0.0356","","","0.0976","0.1016","","","","","","1.064","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208442","5.66264","0.00017","8.9788","0.0004","9.7642","0.0004","109.682","0.004","102.236","0.003","100.002","0.003","440.33","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0384","0.0332","","","0.0878","0.0911","","","","","","1.044","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208443","5.66107","0.00017","8.9574","0.0005","9.7578","0.0005","109.831","0.005","102.228","0.004","99.913","0.003","438.59","0.04","225","2","225","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0417","0.0355","","","0.0913","0.0956","","","","","","1.038","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208444","5.66062","0.00016","8.9394","0.0004","9.7525","0.0005","109.967","0.004","102.224","0.003","99.833","0.003","437.16","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0357","0.0315","","","0.0859","0.0884","","","","","","1.057","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208445","5.65949","0.00016","8.9271","0.0004","9.7495","0.0004","110.093","0.004","102.22","0.003","99.769","0.003","436.06","0.03","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.037","0.0323","","","0.0842","0.0871","","","","","","1.044","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208446","5.65706","0.00014","8.9064","0.0004","9.7446","0.0004","110.208","0.004","102.193","0.003","99.702","0.003","434.47","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0351","0.0307","","","0.0809","0.0839","","","","","","1.037","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208447","5.65476","0.00017","8.8702","0.0004","9.7344","0.0004","110.377","0.004","102.167","0.003","99.621","0.003","431.74","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.041","0.0346","","","0.0868","0.0902","","","","","","1.054","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208448","5.2748","0.0002","6.6507","0.0003","10.4397","0.0003","86.836","0.003","76.833","0.003","70.093","0.004","335.2","0.02","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0358","0.0315","","","0.092","0.0939","","","","","","1.12","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208449","5.2705","0.0003","6.6419","0.0004","10.4243","0.0005","86.895","0.004","76.869","0.004","70.16","0.005","334.17","0.03","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0421","0.0351","","","0.1012","0.1041","","","","","","1.069","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208450","5.2672","0.0003","6.6328","0.0004","10.4111","0.0004","86.956","0.004","76.887","0.004","70.227","0.005","333.24","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.04","0.0342","","","0.0979","0.1004","","","","","","1.08","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208451","5.2644","0.0003","6.6233","0.0004","10.3965","0.0004","87.021","0.004","76.908","0.004","70.282","0.005","332.26","0.03","225","2","225","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0398","0.034","","","0.0976","0.0999","","","","","","1.09","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208452","5.2615","0.0003","6.6145","0.0004","10.3827","0.0004","87.08","0.004","76.924","0.004","70.335","0.005","331.32","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.037","0.0328","","","0.0934","0.0951","","","","","","1.098","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208453","5.2589","0.0003","6.6056","0.0004","10.3687","0.0004","87.155","0.004","76.947","0.004","70.385","0.005","330.39","0.03","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0391","0.0334","","","0.0916","0.0941","","","","","","1.079","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208454","5.2563","0.0003","6.598","0.0003","10.3562","0.0004","87.226","0.004","76.973","0.004","70.438","0.005","329.58","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0367","0.0325","","","0.0878","0.0894","","","","","","1.089","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208455","5.254","0.0003","6.5904","0.0003","10.3425","0.0004","87.327","0.004","77.009","0.004","70.477","0.005","328.73","0.03","125","2","125","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0357","0.0314","","","0.0834","0.0852","","","","","","1.073","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208456","5.2521","0.0002","6.5844","0.0003","10.3311","0.0002","87.44","0.003","77.032","0.003","70.505","0.003","328.02","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0273","0.0257","","","0.0713","0.0719","","","","","","1.08","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208457","5.08996","0.00015","5.8843","0.0002","6.5214","0.0002","96.452","0.003","103.859","0.003","102.076","0.003","182.703","0.011","295","2","295","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0334","0.0291","","","0.0701","0.0729","","","","","","1.04","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208458","5.07618","0.00015","5.8583","0.0002","6.5043","0.0002","96.3","0.003","103.661","0.003","102.203","0.003","181.091","0.011","250","2","250","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0731","0.0746","","","","","","1.053","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208459","5.06381","0.00014","5.83621","0.00018","6.4864","0.0002","96.162","0.003","103.409","0.003","102.331","0.003","179.669","0.01","200","2","200","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0263","0.0252","","","0.0646","0.0652","","","","","","1.085","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208460","5.053","0.00017","5.81773","0.00018","6.4717","0.0002","96.051","0.003","103.212","0.003","102.439","0.003","178.456","0.011","150","2","150","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0244","0.0237","","","0.0615","0.0621","","","","","","1.07","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208461","5.04324","0.00014","5.80332","0.00017","6.4627","0.0002","95.944","0.003","103.086","0.003","102.516","0.003","177.525","0.01","100","2","100","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0236","0.0232","","","0.0604","0.0608","","","","","","1.042","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208462","8.0773","0.0003","21.049","0.0007","34.7351","0.0015","90","","90","","90","","5905.6","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H28.5 Cd N8 O10.25 -","- C23 H28.5 Cd N8 O10.25 -","- C184 H228 Cd8 N64 O82 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0901","0.0547","","","0.1212","0.139","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208463","10.2045","0.0003","16.3187","0.0006","13.9348","0.0005","90","","99.7","0.003","90","","2287.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cd N8 O4 -","- C23 H16 Cd N8 O4 -","- C92 H64 Cd4 N32 O16 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0635","0.0395","","","0.069","0.0782","","","","","","1.018","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208464","9.1097","0.0005","9.5613","0.0005","14.6922","0.0007","88.285","0.004","86.169","0.004","64.289","0.005","1150.42","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N8 O5 -","- C23 H16 Cd N8 O5 -","- C46 H32 Cd2 N16 O10 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.038","0.0312","","","0.0655","0.069","","","","","","1.028","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208465","11.2255","0.0004","11.5675","0.0003","15.6687","0.0004","94.647","0.002","110.543","0.003","92.245","0.003","1893.96","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cd5 N16 Na2 O34 -","- C66 H36 Cd5 N16 Na2 O34 -","- C66 H36 Cd5 N16 Na2 O34 -","1","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0346","0.0298","","","0.0781","0.082","","","","","","1.041","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208466","10.0266","0.0002","21.0636","0.0006","16.6202","0.0004","90","","90","","90","","3510.12","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H24 Cd3 N8 O15 -","- C33 H8 Cd3 N8 O15 -","- C132 H32 Cd12 N32 O60 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0536","0.0446","","","0.1018","0.1065","","","","","","1.11","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208467","10.1516","0.0004","16.5563","0.0007","13.2469","0.0005","90","","98.846","0.004","90","","2199.96","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N8 O4 Zn -","- C23 H16 N8 O4 Zn -","- C92 H64 N32 O16 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0566","0.0391","","","0.086","0.0953","","","","","","1.035","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208468","35.7465","0.0014","11.2708","0.0003","14.9426","0.0006","90","","106.934","0.004","90","","5759.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H47 N16 O17.5 Zn3 -","- C54 H41 N16 O17.5 Zn3 -","- C216 H164 N64 O70 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0581","0.0403","","","0.0963","0.1045","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208469","9.929","0.0002","16.2793","0.0004","21.263","0.0004","90","","90","","90","","3436.89","0.13","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C33 H24 N8 O15 Zn3 -","- C33 H12 N8 O15 Zn3 -","- C132 H48 N32 O60 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0839","0.0808","","","0.1661","0.1675","","","","","","1.17","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208470","9.652","0.005","10.704","0.005","11.159","0.006","90","","90","","90","","1152.9","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0501","0.0361","","","0.0833","0.0908","","","","","","1.002","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208471","9.641","0.002","10.711","0.002","11.172","0.003","90","","90","","90","","1153.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0712","0.0414","","","0.0802","0.0901","","","","","","1.02","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208472","20.4862","0.0005","16.2663","0.0005","16.9774","0.0005","90","","99.12","0.003","90","","5585.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H116 N20 O32 Zn4 -","- C96 H92 N20 O32 Zn4 -","- C192 H184 N40 O64 Zn8 -","2","0.25","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0772","0.0553","","","0.1505","0.1645","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208473","24.6475","0.0019","7.5175","0.0004","23.1062","0.0017","90","","115.938","0.009","90","","3850","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Co N3 O5 -","- C19 H16 Co N3 O5 -","- C152 H128 Co8 N24 O40 -","8","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0637","0.0417","","","0.0757","0.0841","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208474","12.173","0.0006","24.055","0.001","14.235","0.0006","90","","91.543","0.004","90","","4166.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H74 N8 O14 Zn2 -","- C79 H67.6 N8 O14 Zn2 -","- C158 H135.2 N16 O28 Zn4 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.1754","0.087","","","0.1588","0.1887","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208475","12.617","0.0008","25.866","0.001","11.461","0.0007","90","","120.449","0.008","90","","3224.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H32 Co N4 O5 -","- C39 H32 Co N4 O5 -","- C156 H128 Co4 N16 O20 -","4","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0496","0.0377","","","0.0613","0.0663","","","","","","0.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208476","5.543","0.0003","14.59","0.0007","14.935","0.0007","100.202","0.004","94.958","0.004","98.558","0.004","1167.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd2 N6 O14 -","- C52 H34 Cd2 N6 O14 -","- C52 H34 Cd2 N6 O14 -","1","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0375","0.0319","","","0.0708","0.0748","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208477","11.64","0.0008","7.142","0.0003","22.778","0.001","90","","91.812","0.005","90","","1892.65","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H30 Cd3 N8 O14 -","- C34 H30 Cd3 N8 O14 -","- C68 H60 Cd6 N16 O28 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0865","0.0566","","","0.1045","0.119","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208478","4.864","0.0003","9.645","0.0006","27.587","0.0017","90","","92.265","0.006","90","","1293.19","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O11 Pb2 -","- C28 H18 N2 O11 Pb2 -","- C56 H36 N4 O22 Pb4 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0691","0.0439","","","0.0785","0.0933","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208479","12.028","0.003","6.7017","0.0019","8.628","0.003","90","","97.218","0.004","90","","690","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Co O6 -","- C16 H12 Co O6 -","- C32 H24 Co2 O12 -","2","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0596","0.0398","","","0.0972","0.1369","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208480","7.7455","0.0014","7.7455","0.0014","24.912","0.009","90","","90","","90","","1494.5","0.7","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C16 H12 Mn O6 -","- C16 Mn O6 -","- C64 Mn4 O24 -","4","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0556","0.0483","","","0.1272","0.133","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208481","6.5797","0.0002","7.7589","0.0002","18.7911","0.0004","90","","90","","90","","959.31","0.04","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Li -","- C12 H11 Li -","- C48 H44 Li4 -","4","1","","Foy, Justin T.; Wilkes, Elise B.; Aprahamian, Ivan","Self-assembly of benzyl cyclopentadienyl lithium","CrystEngComm","2012","14","19","6126","","10.1039/c2ce25447f","","x-ray","0.71073","MoKα","","0.0495","0.0355","","","0.0705","0.0765","","","","","","1.09","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208482","12.4772","0.0002","12.226","0.0001","18.0714","0.0003","90","","120.468","0.001","90","","2376.06","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N4 O6.5 Zn -","- C26 H19 N4 O6.5 Zn -","- C104 H76 N16 O26 Zn4 -","4","1","","Sun, Gong-ming; Song, Yu-mei; Liu, Yan; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan; Luo, Feng","A novel 2D→3D array in a vertical mode containing both polyrotaxane and polycatenane motifs","CrystEngComm","2012","14","18","5714","","10.1039/c2ce25456e","","","0.71073","MoKα","","0.0384","0.0325","","","0.0801","0.0858","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208483","7.4937","0.0013","11.609","0.002","14.781","0.003","102.927","0.003","102.71","0.003","93.364","0.003","1214.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl12 N10 O4 Pt3 -","- C36 H40 Cl12 N10 O4 Pt3 -","- C36 H40 Cl12 N10 O4 Pt3 -","1","0.5","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.0672","0.056","","","0.1103","0.1154","","","","","","1.143","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208484","6.9399","0.0008","14.5758","0.0017","21.126","0.003","90","","92.407","0.002","90","","2135.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl5 Cu N5 -","- C18 H16 Cl5 Cu N5 -","- C72 H64 Cl20 Cu4 N20 -","4","1","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.041","0.0383","","","0.0839","0.0851","","","","","","1.218","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208485","7.5469","0.0008","11.5778","0.0012","14.6595","0.0015","102.136","0.002","102.265","0.002","93.705","0.002","1215.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl12 N10 O4 Pd3 -","- C36 H40 Cl12 N10 O4 Pd3 -","- C36 H40 Cl12 N10 O4 Pd3 -","1","0.5","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.0376","0.0333","","","0.078","0.081","","","","","","1.042","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208486","8.3938","0.0015","21.103","0.004","16.647","0.003","90","","102.118","0.005","90","","2883","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N7 O2 S4 Zn -","- C22 H21 N7 O2 S4 Zn -","- C88 H84 N28 O8 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.0691","0.0461","","","0.0985","0.1125","","","","","","1.06","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208487","14.14","0.005","14.784","0.004","11.087","0.004","90","","103.242","0.011","90","","2256.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H16 N6 O2 S4 Zn -","- C16 H16 N6 O2 S4 Zn -","- C64 H64 N24 O8 S16 Zn4 -","4","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.0586","0.042","","","0.1048","0.1172","","","","","","1.046","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208488","4.722","0.003","21.523","0.011","20.208","0.011","90","","93.513","0.016","90","","2050","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N6 S4 Zn -","- C16 H12 N6 S4 Zn -","- C64 H48 N24 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.069","0.0466","","","0.1089","0.1251","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208489","14.756","0.007","12.82","0.006","16.142","0.008","90","","100.053","0.013","90","","3007","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Fe N14 O4 S6 -","- C54 H52 Fe N14 O4 S6 -","- C108 H104 Fe2 N28 O8 S12 -","2","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.2002","0.11","","","0.2647","0.3234","","","","","","1.092","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208490","14.545","0.003","13.784","0.003","16.111","0.003","90","","101.06","0.03","90","","3170.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Co N6 S4 -","- C30 H24 Co N6 S4 -","- C120 H96 Co4 N24 S16 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.71073","MoKα","","0.1881","0.0842","","","0.1792","0.2284","","","","","","1.096","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208491","13.956","0.003","13.69","0.003","13.951","0.003","90","","99.09","0.03","90","","2632","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl4 N2 Zn -","- C26 H24 Cl4 N2 Zn -","- C104 H96 Cl16 N8 Zn4 -","4","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.71073","MoKα","","0.0471","0.0375","","","0.0927","0.1012","","","","","","1.062","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208492","14.585","0.007","13.793","0.006","16.038","0.007","90","","101.247","0.014","90","","3164","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 S4 Zn -","- C30 H24 N6 S4 Zn -","- C120 H96 N24 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.1887","0.0687","","","0.1453","0.1909","","","","","","1.035","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208493","19.777","0.003","19.777","0.003","46.892","0.009","90","","90","","90","","18341","5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C100 H79 N10 O25 Zn5 -","- C100 H66 N10 O25 Zn5 -","- C800 H528 N80 O200 Zn40 -","8","0.5","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1295","0.1","","","0.2486","0.2707","","","","","","1.175","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208494","19.022","0.004","16.166","0.003","29.481","0.006","90","","99.32","0.03","90","","8946","3","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C106 H75 N9 O16 Zn4 -","- C106 H75 N9 O16 Zn4 -","- C424 H300 N36 O64 Zn16 -","4","0.5","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1029","0.0624","","","0.1324","0.1538","","","","","","1.086","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208495","11.398","0.002","7.0474","0.0014","25.64","0.007","90","","107.84","0.03","90","","1960.5","0.8","223.15","","223.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 N2 O5 Zn -","- C21 H16 N2 O5 Zn -","- C84 H64 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1293","0.0803","","","0.1933","0.2465","","","","","","1.18","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208496","21.739","0.004","23.577","0.005","7.4591","0.0015","90","","90","","90","","3823.1","1.3","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C42 H30 N4 O13 Zn2 -","- C42 H28 N4 O13 Zn2 -","- C168 H112 N16 O52 Zn8 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.0506","0.0423","","","0.0966","0.1019","","","","","","1.017","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208497","30.9","0.006","7.6409","0.0015","16.156","0.003","90","","103.35","0.03","90","","3711.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O5 Zn -","- C20 H17 N3 O5 Zn -","- C160 H136 N24 O40 Zn8 -","8","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1493","0.1197","","","0.3091","0.3334","","","","","","1.209","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208498","30.877","0.006","8.0459","0.0016","9.1577","0.0018","90","","90","","90","","2275.1","0.8","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H18 N2 O5 Zn -","- C27 H18 N2 O5 Zn -","- C108 H72 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1244","0.0635","","","0.1344","0.1767","","","","","","0.845","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208499","17.8372","0.0019","21.164","0.002","21.721","0.002","90","","90.3","0.002","90","","8199.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cd2 N4 O9 -","- C40 H40 Cd2 N4 O9 -","- C160 H160 Cd8 N16 O36 -","4","1","","Gao, Wen-Yang; Niu, Youhong; Chen, Yao; Wojtas, Lukasz; Cai, Jianfeng; Chen, Yu-Sheng; Ma, Shengqian","Porous metal‒organic framework based on a macrocyclic tetracarboxylate ligand exhibiting selective CO2 uptake","CrystEngComm","2012","14","19","6115","","10.1039/c2ce25484k","","","0.49594","synchrotron","","0.1012","0.0725","","","0.193","0.2019","","","","","","1.031","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208500","7.5375","0.0011","8.5549","0.0012","14.7035","0.0021","101.088","0.002","98.465","0.002","92.66","0.002","917.6","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O10 -","- C40 H34 N4 O10 -","- C40 H34 N4 O10 -","1","0.5","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","0.71073","MoKα","","0.0896","0.0453","","","0.1164","0.149","","","","","","1.022","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208501","9.041","0.0018","10.56","0.002","11.85","0.002","65.99","0.03","79.99","0.03","88.69","0.03","1016.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cl4 N4 O4 -","- C44 H34 Cl4 N4 O4 -","- C44 H34 Cl4 N4 O4 -","1","0.5","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","0.71075","MoKα","","0.1831","0.0869","","","0.232","0.2945","","","","","","1.028","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208502","7.4382","0.0009","17.0249","0.0019","20.224","0.002","96.374","0.009","97.194","0.009","94.166","0.008","2515.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","uhouston01","uhouston01","","- C60 H34 N4 O6 -","- C60 H34 N4 O6 -","- C120 H68 N8 O12 -","2","1","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","1.54178","CuKα","","0.1112","0.0799","","","0.2156","0.2316","","","","","","1.046","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"7208503","13.4049","0.0004","48.9616","0.0014","12.2121","0.0004","90","","90","","90","","8015.1","0.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H27 N3 O6 -","- C18 H27 N3 O6 -","- C288 H432 N48 O96 -","16","1","","Singh, Rajiv K.; Hou, Xiaodong; Overby, Molly; Schober, Matthew; Chu, Qianli","Hydrogen bonded chiral sheet self-assembled from a C3-symmetric tricarbamate","CrystEngComm","2012","14","19","6132","","10.1039/c2ce25487e","","","0.71073","MoKα","","0.0298","0.0273","","","0.0763","0.0814","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208504","15.4964","0.0011","8.8674","0.0006","13.2985","0.0009","90","","109.423","0.001","90","","1723.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Theophylline-melamine","","","- C12 H20 N10 O3 S -","- C12 H20 N10 O3 S -","- C48 H80 N40 O12 S4 -","4","1","","Abourahma, Heba; Urban, Jennifer M.; Morozowich, Nicole; Chan, Benny","Examining the robustness of a theophylline cocrystal during grinding with additives","CrystEngComm","2012","14","19","6163","","10.1039/c2ce25495f","","","0.71073","MoKα","","0.0443","0.0345","","","0.0852","0.0913","","","","","","1.044","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208505","9.7398","0.0015","14.884","0.002","23.545","0.004","90","","98.88","0.002","90","","3372.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 N4 O7 P -","- C29 H53 N4 O7 P -","- C116 H212 N16 O28 P4 -","4","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.1177","0.0676","","","0.178","0.2101","","","","","","1.004","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208506","13.111","0.0004","5.9151","0.0002","16.309","0.0005","90","","110.012","0.001","90","","1188.44","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.0457","0.0358","","","0.1031","0.1124","","","","","","1.031","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208507","15.007","0.013","10.891","0.009","16.137","0.014","90","","114.279","0.01","90","","2404","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C96 H96 N32 O16 -","8","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.1012","0.0469","","","0.1091","0.1347","","","","","","0.959","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208508","9.602","0.005","13.194","0.005","15.104","0.005","113.014","0.005","94.332","0.005","105.702","0.005","1659.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N5 O7 P -","- C28 H52 N5 O7 P -","- C56 H104 N10 O14 P2 -","2","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.0678","0.0532","","","0.153","0.167","","","","","","1.045","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208509","10.4208","0.0006","10.3302","0.0006","34.5404","0.0019","90","","94.195","0.002","90","","3708.3","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 N2 O9 -","- C45 H38 N2 O9 -","- C180 H152 N8 O36 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.103","0.0741","","","0.1636","0.1796","","","","","","1.03","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208510","18.6545","0.0008","12.6058","0.0005","21.7602","0.0009","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1559","0.1443","","","0.3535","0.3719","","","","","","1.632","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208511","18.6545","0.0008","21.7602","0.0009","12.6058","0.0005","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1071","0.0982","","","0.2089","0.2127","","","","","","1.195","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208512","28.787","0.003","10.7716","0.0012","14.7431","0.0016","90","","95.24","0.003","90","","4552.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N4 O11 -","- C52 H56 N4 O11 -","- C208 H224 N16 O44 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1042","0.0729","","","0.1804","0.1995","","","","","","1.087","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208513","13.8994","0.0007","5.4845","0.0003","13.1317","0.0006","90","","101.948","0.002","90","","979.36","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P50 2-aminopyrazine, (4-NO2-PhCOOH)2","","- C18 H15 N5 O8 -","- C18 H15 N5 O8 -","- C36 H30 N10 O16 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.1557","0.0707","","","0.1821","0.2208","","","","","","1.055","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208514","7.6755","0.0011","8.8822","0.0011","9.6107","0.0015","84.645","0.01","82.063","0.011","74.877","0.01","625.34","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","P54 2-aminopyrazine, 3,5-(NO2)2-PhCOOH","","- C11 H9 N5 O6 -","- C11 H9 N5 O6 -","- C22 H18 N10 O12 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.2102","0.0989","","","0.2664","0.3508","","","","","","1.083","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208515","5.993","0.001","12.1894","0.0018","12.995","0.002","90","","98.803","0.008","90","","938.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P55 2-aminopyrazine, 3-NO2-PhCOOH","","- C18 H15 N5 O8 -","- C18 H15 N5 O8 -","- C36 H30 N10 O16 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0683","0.0494","","","0.1387","0.1511","","","","","","1.106","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208516","5.3982","0.0009","19.505","0.003","6.9524","0.0012","90","","104.487","0.01","90","","708.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D3 2-aminopyrazine, HOOC-(CH2)2-COOH","","- C12 H16 N6 O4 -","- C12 H16 N6 O4 -","- C24 H32 N12 O8 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.2198","0.1548","","","0.2756","0.2946","","","","","","1.486","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208517","5.2487","0.0003","29.2633","0.0018","7.2357","0.0005","90","","104.958","0.003","90","","1073.7","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D8 2-aminopyrazine, HOOC-(CH2)3-COOH","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0707","0.0485","","","0.1322","0.1459","","","","","","1.066","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208518","5.0231","0.0005","34.308","0.003","7.4377","0.0008","90","","102.85","0.005","90","","1249.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D9 2-aminopyrazine, HOOC-(CH2)5-COOH","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0655","0.0449","","","0.1249","0.1366","","","","","","1.041","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208519","7.7749","0.0005","9.8014","0.0007","9.2097","0.0006","90","","101.56","0.003","90","","687.59","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D5 2-aminopyrazine, HOOC-(CH2)6-COOH","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0716","0.051","","","0.1419","0.1544","","","","","","1.099","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208520","5.7935","0.0006","7.509","0.0008","8.7271","0.0008","92.984","0.004","91.952","0.005","98.57","0.005","374.57","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","D4 2-aminopyrazine, HOOC-(CH2)8-COOH","","- C14 H23 N3 O4 -","- C14 H23 N3 O4 -","- C14 H23 N3 O4 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0535","0.0454","","","0.1307","0.1366","","","","","","1.069","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208521","6.8754","0.0007","7.1197","0.0007","13.8665","0.0014","87.951","0.003","86.435","0.003","72.915","0.004","647.46","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","P13 2,6-Br2-3-NH2-pyrazine, 2,5-(HO)2-PhCOOH","","- C11 H9 Br2 N3 O4 -","- C11 H9 Br2 N3 O4 -","- C22 H18 Br4 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0602","0.0429","","","0.1163","0.128","","","","","","1.038","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208522","15.5511","0.0006","5.8057","0.0002","16.0859","0.0006","90","","111.075","0.001","90","","1355.17","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","AR-cc-2c-10 2,6-dibromo-3-aminopyrazine, F5-PhCOOH","","- C11 H4 Br2 F5 N3 O2 -","- C11 H4 Br2 F5 N3 O2 -","- C44 H16 Br8 F20 N12 O8 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0319","0.0231","","","0.0542","0.0577","","","","","","1.012","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208523","7.3153","0.0003","10.4607","0.0004","10.8371","0.0004","65.094","0.002","83.688","0.002","89.742","0.002","746.8","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","P9 2-amino-3,5-dibromopyrazine, 3,5-(NO2)2-PhCOOH","","- C11 H7 Br2 N5 O6 -","- C11 H7 Br2 N5 O6 -","- C22 H14 Br4 N10 O12 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0342","0.0262","","","0.0678","0.0716","","","","","","1.056","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208524","5.6663","0.0005","13.2299","0.0011","17.3426","0.0014","90","","93.911","0.004","90","","1297.05","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ARcc-2c-7 2-amino-3,5-dibromopyrazine, 2,6-difluorobenzoic acid","","- C11 H7 Br2 F2 N3 O2 -","- C11 H7 Br2 F2 N3 O2 -","- C44 H28 Br8 F8 N12 O8 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0605","0.0327","","","0.0653","0.0721","","","","","","1.033","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208525","11.0013","0.0006","14.5518","0.0005","18.9944","0.001","72.26","0.004","82.475","0.004","70.88","0.004","2734.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H32 Cl6 Er4 O22 -","- C51 H32 Cl6 Er4 O22 -","- C102 H64 Cl12 Er8 O44 -","2","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Two-dimensional decanuclear erbium wheel supported by mixed hemimellitate and 4-chlorobenzoate ligands","CrystEngComm","2012","14","18","6045","","10.1039/c2ce25526j","","","0.71073","MoKα","","0.0526","0.0347","","","0.073","0.0886","","","","","","1.005","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208526","10.5264","0.0013","12.9839","0.0016","14.3384","0.0017","84.637","0.002","69.806","0.002","85.307","0.002","1828.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 Cl Cu N7 O7 -","- C34 H42 Cl Cu N7 O7 -","- C68 H84 Cl2 Cu2 N14 O14 -","2","1","","Zhou, Hong; Pan, Zhi-Quan; Ni, Wen-Hao; Wei, Lai; Huang, Qi-Mao","Coordination polymers of polyamine and macrocycles controlled by pyridine-containing arms","CrystEngComm","2012","14","19","6306","","10.1039/c2ce25547b","","","0.71073","MoKα","","0.0748","0.0672","","","0.179","0.1848","","","","","","1.065","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208527","15.033","0.002","8.0189","0.0012","23.103","0.004","90","","99.649","0.008","90","","2745.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(4-chloro-anilinium) pentabromocadmate","","","- C18 H21 Br5 Cd Cl3 N3 -","- C18 H21 Br5 Cd Cl3 N3 -","- C72 H84 Br20 Cd4 Cl12 N12 -","4","1","","Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang","Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition","CrystEngComm","2012","14","18","5795","","10.1039/c2ce25571e","","","0.71073","MoKα","","0.1254","0.0538","","","0.0833","0.1023","","","","","","0.994","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208528","4.498","0.0006","6.1858","0.0008","14.4538","0.0018","90.9386","0.0017","94.9448","0.0017","100.039","0.0013","394.33","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C12 H14 Br2 Cl2 N2 -","2","1","","Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang","Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition","CrystEngComm","2012","14","18","5795","","10.1039/c2ce25571e","","","0.71073","MoKα","","0.1143","0.0741","","","0.1572","0.1803","","","","","","1.102","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208529","6.087","0.004","7.307","0.003","16.041","0.008","90","","109.98","0.03","90","","670.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.0374","0.0344","","","0.092","0.0937","","","","","","1.098","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208530","4.995","0.004","11.203","0.007","14.389","0.008","90","","94.44","0.04","90","","802.8","0.9","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.0758","0.0471","","","0.0884","0.0974","","","","","","1.1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208531","18.938","0.019","11.841","0.011","4.309","0.006","90","","90","","90","","966.3","1.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1362","0.0764","","","0.1836","0.21","","","","","","1.18","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208532","7.619","0.014","7.888","0.011","8.147","0.009","65.33","0.09","66.81","0.08","72.58","0.1","403.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C14 H18 N2 O6 -","2","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1378","0.0746","","","0.1674","0.191","","","","","","1.134","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208533","15.8517","0.0005","11.2658","0.0004","34.8339","0.0009","90","","90","","90","","6220.7","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C64 H44 N8 O16 Zn2 -","- C64 H44 N8 O16 Zn2 -","- C256 H176 N32 O64 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0925","0.0671","","","0.1621","0.1824","","","","","","0.983","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208534","10.9501","0.0004","20.6804","0.0009","21.8474","0.0009","90","","94.217","0.002","90","","4934","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H40.5 N6.5 O12.5 Zn2 -","- C49.5 H40.5 N6.5 O12.5 Zn2 -","- C198 H162 N26 O50 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0775","0.0572","","","0.1298","0.1448","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208535","10.1561","0.0006","10.2773","0.0006","14.489","0.0009","85.432","0.004","72.012","0.003","83.56","0.003","1427.7","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N4 O11 -","- C26 H20 Cd N4 O11 -","- C52 H40 Cd2 N8 O22 -","2","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0381","0.0317","","","0.0768","0.0793","","","","","","1.049","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208536","8.2505","0.0009","30.086","0.003","10.3031","0.0011","90","","99.913","0.001","90","","2519.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cd N4 O8 -","- C26 H20 Cd N4 O8 -","- C104 H80 Cd4 N16 O32 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0393","0.0377","","","0.0865","0.0875","","","","","","1.248","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208537","8.9846","0.0005","22.9562","0.0011","24.0229","0.0012","90","","90","","90","","4954.8","0.4","123","2","123","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C31 H46 Fe N8 O8 S2 -","- C31 H24 Fe N8 O8 S2 -","- C124 H96 Fe4 N32 O32 S8 -","4","0.25","","Yu, Fan; Li, Bao","Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2012","14","18","6049","","10.1039/c2ce25607j","","","0.71073","MoKα","","0.0668","0.0459","","","0.1213","0.127","","","","","","0.913","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208538","16.5531","0.0009","11.7181","0.0007","17.4935","0.0008","90","","103.372","0.005","90","","3301.2","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 Fe N6 O6 S2 -","- C29 H30 Fe N6 O6 S2 -","- C116 H120 Fe4 N24 O24 S8 -","4","0.5","","Yu, Fan; Li, Bao","Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2012","14","18","6049","","10.1039/c2ce25607j","","","0.71073","MoKα","","0.0396","0.0312","","","0.0816","0.0843","","","","","","1.051","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208539","46.8185","0.0015","46.8185","0.0015","9.4253","0.0003","90","","90","","120","","17892.1","1","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C10 H47.66667 Cl4 N11 O25.33333 Pd Pt -","- C10 H29 Cl4 N11 O25.3333 Pd Pt -","- C180 H522 Cl72 N198 O456 Pd18 Pt18 -","18","1","","Albertí, Francisca M.; Mihály, Tímea; Lippert, Bernhard; Miguel, Pablo J. Sanz","Unsupported single-walled water cluster nanotube: A novel hydrogen bonding pattern for water organization","CrystEngComm","2012","14","19","6178","","10.1039/c2ce25647a","","","0.71073","MoKα","","0.1222","0.054","","","0.119","0.128","","","","","","0.981","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7208540","23.2241","0.0018","15.7921","0.0007","20.0361","0.0011","90","","102.581","0.006","90","","7171.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 Mn N6 O8 -","- C92 H70 Mn N6 O8 -","- C368 H280 Mn4 N24 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1332","0.0652","","","0.1738","0.1923","","","","","","0.929","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208541","23.155","0.004","15.844","0.005","20.126","0.006","90","","102.761","0.005","90","","7201","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 Cd N6 O8 -","- C92 H70 Cd N6 O8 -","- C368 H280 Cd4 N24 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","1.54184","CuKα","","0.0883","0.0613","","","0.1513","0.1654","","","","","","0.932","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208542","15.277","0.003","22.74","0.003","21.277","0.003","90","","93.441","0.014","90","","7378","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 N6 Ni O8 -","- C92 H70 N6 Ni O8 -","- C368 H280 N24 Ni4 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","1.54184","CuKα","","0.2101","0.0867","","","0.2079","0.2524","","","","","","0.991","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208543","17.132","0.0004","17.132","0.0004","29.2524","0.0009","90","","90","","120","","7435.5","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H94 Co N6 O12 -","- C120 H94.02 Co N6 O12 -","- C360 H282.06 Co3 N18 O36 -","3","0.333333","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1256","0.0941","","","0.2323","0.2411","","","","","","1.198","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208544","18.392","0.0003","18.966","0.0003","15.866","0.0003","90","","90","","90","","5534.42","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C62 H74 Co N6 O10 -","- C62 H74 Co N6 O10 -","- C248 H296 Co4 N24 O40 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0761","0.0395","","","0.1093","0.1156","","","","","","0.881","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208545","16.772","0.004","17.601","0.003","19.969","0.005","90","","91.723","0.005","90","","5892","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C130 H140 N12 O17 Zn2 -","- C130 H114 N12 O17 Zn2 -","- C260 H228 N24 O34 Zn4 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1758","0.0666","","","0.1612","0.1846","","","","","","0.812","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208546","14.767","0.003","17.448","0.004","17.88","0.008","116.355","0.004","96.267","0.003","102.994","0.005","3905","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H146 N4 Na6 O59 Zn6 -","- C154 H136 N4 Na6 O59 Zn6 -","- C154 H136 N4 Na6 O59 Zn6 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0928","0.0448","","","0.1046","0.1124","","","","","","0.844","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208547","14.772","0.005","17.442","0.004","17.887","0.006","115.964","0.002","96.529","0.007","103.069","0.005","3915","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H144 N6 Na6 O59 Zn6 -","- C152 H130 N6 Na6 O59 Zn6 -","- C152 H130 N6 Na6 O59 Zn6 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0599","0.0399","","","0.1066","0.1109","","","","","","0.921","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208548","10.788","0.003","18.229","0.006","21.761","0.007","90","","98.766","0.004","90","","4229","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 Co4 Na2 O39 -","- C72 H74 Co4 Na2 O39 -","- C144 H148 Co8 Na4 O78 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0758","0.0475","","","0.1418","0.1507","","","","","","0.96","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208549","9.724","0.003","18.516","0.005","17.637","0.006","90","","99.769","0.005","90","","3129.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Cu3 Na2 O24 -","- C72 H56 Cu3 Na2 O24 -","- C144 H112 Cu6 Na4 O48 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0758","0.0376","","","0.0785","0.0829","","","","","","0.821","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208550","53.477","0.0008","10.565","0.0003","38.155","0.0013","90","","95.734","0.002","90","","21449.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H264 Cu7 Na4 O61 -","- C208 H256 Cu7 Na4 O61 -","- C832 H1024 Cu28 Na16 O244 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1118","0.0486","","","0.0946","0.1011","","","","","","0.864","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208551","24.2387","0.0006","25.4087","0.0007","18.6362","0.0005","90","","97.552","0.002","90","","11378","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Na O16 Zn2 -","- C52 H39 Na O16 Zn2 -","- C416 H312 Na8 O128 Zn16 -","8","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.135","0.0619","","","0.1593","0.177","","","","","","0.823","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208552","10.957","0.005","12.644","0.004","21.49","0.003","86.158","0.004","82.931","0.006","67.84","0.007","2735.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H122 Na2 O26 Pb4 -","- C104 H84 Na2 O26 Pb4 -","- C104 H84 Na2 O26 Pb4 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1052","0.0588","","","0.1377","0.1471","","","","","","0.908","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208553","5.7447","0.0001","16.4119","0.0002","32.229","0.0005","90","","90","","90","","3038.6","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C128 H104 F16 I8 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0418","0.0294","","","0.063","0.0657","","","","","","1.078","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208554","9.444","0.0003","10.8391","0.0004","11.7728","0.0004","111.084","0.002","110.207","0.002","97.956","0.002","1006.63","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-diiodotetrafluorobenzene 1/1","","- C19 H13 F4 I2 O P -","- C19 H13 F4 I2 O P -","- C38 H26 F8 I4 O2 P2 -","2","1","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0447","0.0338","","","0.0819","0.0892","","","","","","1.039","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208555","5.7074","0.0001","16.4007","0.0002","31.869","0.0005","90","","90","","90","","2983.11","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-dibromotetrafluorobenzene 2/1","","- C32 H26 Br2 F4 O2 P2 -","- C32 H26 Br2 F4 O2 P2 -","- C128 H104 Br8 F16 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0419","0.0327","","","0.0718","0.0754","","","","","","1.063","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208556","6.2187","0.0003","11.6168","0.0007","5.7876","0.0005","90","","93.61","0.03","90","","417.27","0.05","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-diiodotetrafluorobenzene","1,4-diiodotetrafluorobenzene","","- C6 F4 I2 -","- C6 F4 I2 -","- C12 F8 I4 -","2","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0393","0.0313","","","0.0773","0.083","","","","","","1.048","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208557","11.5465","0.0002","5.834","0.0001","24.7421","0.0005","90","","91.269","0.001","90","","1666.28","0.05","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(mdppo)2(ofib)","","","- C30 H26 F8 I2 O2 P2 -","- C30 H26 F8 I2 O2 P2 -","- C60 H52 F16 I4 O4 P4 -","2","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0514","0.0255","","","0.0463","0.0474","","","","","","0.849","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208558","9.6579","0.0016","10.1549","0.0018","10.6914","0.0016","106.576","0.002","107.444","0.003","110.66","0.004","841.4","0.2","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Eu N2 O9 -","- C14 H17 Eu N2 O9 -","- C28 H34 Eu2 N4 O18 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0287","0.028","","","0.0677","0.0685","","","","","","1.049","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208559","9.642","0.006","10.142","0.007","10.654","0.007","106.388","0.006","107.72","0.005","110.452","0.002","837.1","1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N2 O9 Tb -","- C14 H13 N2 O9 Tb -","- C28 H26 N4 O18 Tb2 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0416","0.0363","","","0.0806","0.0841","","","","","","1.038","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208560","9.63","0.003","10.182","0.003","10.687","0.003","106.573","0.003","107.2","","110.615","0.002","843.4","0.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N2 O9 Sm -","- C14 H13 N2 O9 Sm -","- C28 H26 N4 O18 Sm2 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0332","0.0302","","","0.0766","0.0806","","","","","","1.003","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208561","21.6024","0.0008","21.6024","0.0008","11.3824","0.0008","90","","90","","90","","5311.8","0.5","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 Eu N O9.5 -","- C12 H8 Eu N O8.5 -","- C192 H128 Eu16 N16 O136 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0304","0.027","","","0.0593","0.0614","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208562","21.4229","0.0006","21.4229","0.0006","11.3047","0.0006","90","","90","","90","","5188.2","0.3","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 N O9.5 Tb -","- C12 H8 N O8.5 Tb -","- C192 H128 N16 O136 Tb16 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0315","0.027","","","0.0613","0.0641","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208563","21.5765","0.0004","21.5765","0.0004","11.3469","0.0004","90","","90","","90","","5282.5","0.2","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 N O9.5 Sm -","- C12 H8 N O8.5 Sm -","- C192 H128 N16 O136 Sm16 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0204","0.0178","","","0.0482","0.0494","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208564","9.762","0.002","13.486","0.003","16.804","0.003","90","","100.04","0.03","90","","2178.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0928","0.0608","","","0.1115","0.123","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208565","9.857","0.002","14.011","0.003","16.884","0.003","90","","100.93","0.03","90","","2289.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cd N4 O4 -","- C27 H20 Cd N4 O4 -","- C108 H80 Cd4 N16 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0882","0.067","","","0.1045","0.1135","","","","","","1.092","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208566","9.5702","0.0019","14.329","0.003","16.631","0.003","90","","98.75","0.03","90","","2254.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cd N5 O4 -","- C26 H19 Cd N5 O4 -","- C104 H76 Cd4 N20 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0482","0.0423","","","0.0926","0.0959","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208567","9.6647","0.0019","14.032","0.003","16.543","0.003","90","","98.79","0.03","90","","2217.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O5 -","- C26 H18 Cd N4 O5 -","- C104 H72 Cd4 N16 O20 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0407","0.0361","","","0.0863","0.0892","","","","","","1.036","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208568","9.967","0.002","12.179","0.002","15.859","0.003","96.41","0.03","96.96","0.03","104.19","0.03","1832.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cd2 N6 O16 -","- C34 H28 Cd2 N6 O16 -","- C68 H56 Cd4 N12 O32 -","2","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0593","0.0412","","","0.0918","0.104","","","","","","1.069","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208569","29.425","0.006","9.4342","0.0019","20.233","0.004","90","","123.71","0.03","90","","4672","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N4 O7 S -","- C26 H18 Cd N4 O7 S -","- C208 H144 Cd8 N32 O56 S8 -","8","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0473","0.0388","","","0.0858","0.0899","","","","","","1.103","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208570","15.771","0.002","14.711","0.002","8.3852","0.0012","90","","102.485","0.002","90","","1899.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co2 N4 O10 -","- C30 H30 Co2 N4 O10 -","- C60 H60 Co4 N8 O20 -","2","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","A novel metal‒organic framework displaying reversibly shrinking and expanding pore modulation","CrystEngComm","2012","14","18","5757","","10.1039/c2ce25715g","","","0.71073","MoKα","","0.0418","0.0339","","","0.0931","0.0968","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208571","14.36","0.02","14.75","0.02","8.276","0.013","90","","99.746","0.019","90","","1728","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co2 N4 O10 -","- C30 H30 Co2 N4 O10 -","- C60 H60 Co4 N8 O20 -","2","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","A novel metal‒organic framework displaying reversibly shrinking and expanding pore modulation","CrystEngComm","2012","14","18","5757","","10.1039/c2ce25715g","","","0.71073","MoKα","","0.1424","0.0804","","","0.1734","0.1915","","","","","","1.04","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208572","4.4592","0.0005","15.3668","0.0011","13.3336","0.0012","90","","90.602","0.008","90","","913.62","0.15","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H17 N3 O7 -","- C19 H17 N3 O7 -","- C38 H34 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.5418","CuKα","","0.0433","0.0364","","","0.0787","0.0834","","","","","","1.024","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208573","8.3845","0.0003","8.9098","0.0004","13.2841","0.0007","83.81","0.004","80.223","0.004","84.612","0.003","969.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O7 -","- C20 H17 N3 O7 -","- C40 H34 N6 O14 -","2","2","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54178","CuKα","","0.0429","0.0378","","","0.1041","0.1161","","","","","","1.114","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208574","6.2151","0.0003","10.7634","0.0008","15.0123","0.0009","85.26","0.005","87.897","0.005","81.635","0.005","989.86","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O7 -","- C21 H21 N3 O7 -","- C42 H42 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54184","CuKα","","0.0507","0.0398","","","0.0985","0.1077","","","","","","1.029","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208575","10.0239","0.0003","10.0797","0.0003","23.5726","0.0007","77.713","0.002","79.766","0.002","88.768","0.002","2289.82","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31.5 N6 O26.5 P6 Zn5 -","- C30 H31.5 N6 O26.5 P6 Zn5 -","- C60 H63 N12 O53 P12 Zn10 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Sun, Gong-ming; Song, Yu-mei; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-zun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","[Zn5(PO4)(HPO4)4(Hbpy)2(bpy)][H2PO4]·H2O: a novel inorganic‒organic metal-phosphate framework showing an unprecedented (3,4)-connected (4·62)6(4·62·103)2(64·102)2 topology and the coexistence of various phosphates","CrystEngComm","2012","14","18","5730","","10.1039/c2ce25730k","","","0.71073","MoKα","","0.0576","0.0527","","","0.1118","0.1142","","","","","","1.149","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208576","15.158","0.005","12.517","0.004","7.44","0.002","90","","93.12","0.03","90","","1409.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cd Cl2 N O6 -","- C9 H13 Cd Cl2 N O6 -","- C36 H52 Cd4 Cl8 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0517","0.0413","","","0.1009","0.1071","","","","","","1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208577","8.012","0.002","12.51","0.006","14.753","0.006","90","","90","","90","","1478.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Br2 Cd N O6 -","- C9 H13 Br2 Cd N O6 -","- C36 H52 Br8 Cd4 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0832","0.0605","","","0.124","0.1401","","","","","","1.026","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208578","7.763","0.002","12.938","0.005","17.221","0.007","72.48","0.02","87.107","0.016","86.201","0.017","1644.9","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","chlortalidone Form IV","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl) benzenesulfonamide chloroform solvate","","- C57 H45 Cl7 N8 O16 S4 -","- C57 H45 Cl7 N8 O16 S4 -","- C57 H45 Cl7 N8 O16 S4 -","1","0.5","","Martins, Felipe T.; de abreu, Polyana J.; Azarias, Lilian C.; Villis, Paulo C. M.; de Campos Melo, Ariane C.; Ellena, Javier; Doriguetto, Antônio C.","Form III-like conformation and Form I-like packing in a chloroform channel solvate of the diuretic drug chlortalidone","CrystEngComm","2012","14","19","6173","","10.1039/c2ce25766a","","","0.71073","MoKα","","0.1793","0.0659","","","0.1306","0.1536","","","","","","1.04","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208579","8.964","0.007","30.082","0.005","9.428","0.006","90","","115.94","0.05","90","","2286","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Perphenazine fumarate","","","- C23 H28 Cl N3 O3 S -","- C23 H28 Cl N3 O3 S -","- C92 H112 Cl4 N12 O12 S4 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Maggi, Lauretta; Bini, Marcella; Capsoni, Doretta; Ferrari, Stefania; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Marini, Amedeo","Perphenazine‒fumaric acid salts with improved solubility: preparation, physico-chemical characterization and in vitro dissolution","CrystEngComm","2012","14","18","6035","","10.1039/c2ce25846c","","","0.71073","MoKα","","0.1151","0.0844","","","0.2414","0.2664","","","","","","1.084","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208580","7.138","0.003","21.173","0.009","8.531","0.004","90","","98.715","0.007","90","","1274.4","1","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0753","","","","0.2018","","","","","","1.002","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208581","18.328","0.005","6.5775","0.0014","22.617","0.006","90","","110.443","0.004","90","","2554.8","1.1","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C104 H128 N16 O32 -","8","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.048","","","","0.1794","","","","","","1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208582","10.153","0.006","8.109","0.004","12.906","0.008","90","","110.708","0.006","90","","993.9","1","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0419","","","","0.1316","","","","","","1.009","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208583","11.91","0.04","7.938","0.005","13.481","0.011","90","","107.32","0.04","90","","1217","4","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0756","","","","0.213","","","","","","1.04","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208584","11.4332","0.0006","8.6325","0.0005","13.0666","0.0007","90","","109.37","0.001","90","","1216.64","0.12","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.71069","MoKα","","","0.0442","","","","0.1262","","","","","","1.203","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208585","10.5351","0.0016","8.1715","0.0013","14.384","0.003","90","","109.536","0.002","90","","1167","0.4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 I N2 O2 -","- C11 H11 I N2 O2 -","- C44 H44 I4 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.71073","MoKα","","","0.0453","","","","0.1181","","","","","","1.06","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208586","7.6978","0.0016","17.25","0.004","14.089","0.003","90","","93.102","0.003","90","","1868.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O7 Zn -","- C19 H18 N2 O7 Zn -","- C76 H72 N8 O28 Zn4 -","4","1","","Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen","Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors","CrystEngComm","2012","14","19","6246","","10.1039/c2ce26058a","","","0.71073","MoKα","","0.0593","0.0442","","","0.1211","0.132","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208587","12.8165","0.0015","8.8463","0.001","16.94","0.002","90","","102.31","0.002","90","","1876.5","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19.5 H15 N2 O5 Zn -","- C19.5 H12 N2 O5 Zn -","- C78 H48 N8 O20 Zn4 -","4","1","","Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen","Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors","CrystEngComm","2012","14","19","6246","","10.1039/c2ce26058a","","","0.71073","MoKα","","0.1","0.0647","","","0.1399","0.1556","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208588","26.54","0.005","26.54","0.005","26.54","0.005","90","","90","","90","","18694","6","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H4 O5 Zn -","- C6 H2 O5 Zn -","- C288 H96 O240 Zn48 -","48","0.25","","Song, Xiaokai; Jeong, Seok; Kim, Dongwook; Lah, Myoung Soo","Transmetalations in two metal‒organic frameworks with different framework flexibilities: Kinetics and core‒shell heterostructure","CrystEngComm","2012","14","18","5753","","10.1039/c2ce26115d","","","0.71069","MoKα","","0.0649","0.0622","","","0.1882","0.1918","","","","","","1.125","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208589","8.61998","0.00016","9.10428","0.00016","9.1904","0.00017","91.9088","0.0007","116.676","0.0007","114.049","0.0007","567.491","0.019","114","1","114","2","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0232","0.0226","","","0.0603","0.0607","","","","","","1.072","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208590","8.62043","0.00016","9.1067","0.00016","9.19145","0.00017","91.9171","0.0007","116.674","0.0007","114.029","0.0007","567.849","0.019","120","1","120","2","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0232","0.0226","","","0.0614","0.0618","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208591","8.62156","0.00016","9.11162","0.00016","9.19374","0.00017","91.9362","0.0007","116.669","0.0007","113.98","0.0007","568.635","0.019","130","1","130","1","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0235","0.0227","","","0.0624","0.0631","","","","","","1.076","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208592","8.62366","0.00016","9.11968","0.00017","9.19716","0.00017","91.9817","0.0007","116.649","0.0007","113.906","0.0007","569.92","0.02","145","1","145","1","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0238","0.0226","","","0.0617","0.0627","","","","","","1.075","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208593","8.62499","0.00016","9.12773","0.00017","9.20087","0.00017","92.0011","0.0007","116.639","0.0007","113.862","0.0007","571.01","0.02","160","1","160","1","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.024","0.023","","","0.0623","0.0632","","","","","","1.056","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208594","8.62739","0.00016","9.13846","0.00017","9.20609","0.00017","92.0264","0.0007","116.621","0.0007","113.829","0.0007","572.4","0.02","180","1","180","2","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0246","0.0234","","","0.0631","0.0642","","","","","","1.046","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208595","8.6293","0.00016","9.15077","0.00017","9.21274","0.00017","92.0613","0.0007","116.601","0.0007","113.799","0.0007","573.91","0.02","200","1","200","1","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0254","0.0241","","","0.0651","0.0659","","","","","","1.056","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208596","8.66982","0.00018","9.21282","0.00019","9.26605","0.00019","92.6113","0.0007","116.65","0.0007","113.456","0.0007","583.72","0.02","338","1","338","2","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0393","0.0364","","","0.0933","0.0984","","","","","","1.123","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208597","14.933","0.0016","14.933","0.0016","12.2771","0.0016","90","","90","","90","","2737.7","0.5","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","","","- C15 H13 N2 S -","- C15 H13 N2 S -","- C120 H104 N16 S8 -","8","1","","Rout, Saroj Kumar; Guin, Srimanta; Nath, Jayashree; Patel, Bhisma K.","An “on-water” exploration of CuO nanoparticle catalysed synthesis of 2-aminobenzothiazoles","Green Chemistry","2012","14","9","2491","","10.1039/c2gc35575b","","","0.71073","MoKα","","0.0641","0.0553","","","0.1214","0.1302","","","","","","1.019","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208598","10.13","0.002","8.1511","0.0015","13.6","0.002","90","","93.902","0.01","90","","1120.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 S2 -","- C11 H12 N2 S2 -","- C44 H48 N8 S8 -","4","1","","Rout, Saroj Kumar; Guin, Srimanta; Nath, Jayashree; Patel, Bhisma K.","An “on-water” exploration of CuO nanoparticle catalysed synthesis of 2-aminobenzothiazoles","Green Chemistry","2012","14","9","2491","","10.1039/c2gc35575b","","","0.71073","MoKα","","0.0469","0.0379","","","0.1007","0.1069","","","","","","1.07","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208599","10.493","0.0002","14.6391","0.0004","9.0779","0.0002","90","","113.021","0.001","90","","1283.39","0.05","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-(4-methoxyphenyl)-N'-(piperidino)thiourea","N-(4-methoxyphenyl)-N'-(piperidino)thiourea","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.7107","MoKα","","0.0655","0.0441","","","0.1048","0.1198","","","","","","1.121","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208600","11.5813","0.0003","9.3856","0.0003","10.8926","0.0004","90","","101.21","0.03","90","","1161.41","0.14","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-phenyl-N'-(thiomorpholino)thiourea","N-phenyl-N'-(thiomorpholino)thiourea","","- C11 H14 N2 S2 -","- C11 H14 N2 S2 -","- C44 H56 N8 S8 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0773","0.0472","","","0.0987","0.1109","","","","","","1.029","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208601","8.3457","0.0001","26.4224","0.0002","5.3071","0.0006","90","","90","","90","","1170.29","0.13","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N,N'-bis(4-fluorophenyl)thiourea","N,N'-bis(4-fluorophenyl)thiourea","","- C13 H10 F2 N2 S -","- C13 H10 F2 N2 S -","- C52 H40 F8 N8 S4 -","4","0.5","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0559","0.0364","","","0.0856","0.0924","","","","","","1.065","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208602","10.2252","0.0002","10.5172","0.0003","11.1949","0.0002","90","","90.788","0.002","90","","1203.79","0.05","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(4-nitrophenyl)-N'-(morpholino)thiourea","N-(4-nitrophenyl)-N'-(morpholino)thiourea","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C44 H52 N12 O12 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0462","0.033","","","0.0957","0.098","","","","","","1.021","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208603","21.2213","0.001","8.0908","0.0004","28.6471","0.0015","90","","90","","90","","4918.6","0.4","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N-(4-nitrophenyl)-N'-(morpholino)thiourea","N-(4-nitrophenyl)-N'-(morpholino)thiourea","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C176 H208 N48 O48 S16 -","16","4","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.1498","0.0471","","","0.0911","0.1249","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208604","12.67213","0.00025","9.79731","0.00027","12.10093","0.00031","90","","115.223","0.0014","90","","1359.12","0.06","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0123","","0.571","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208605","28.4936","0.0024","5.55569","0.00033","8.14303","0.00038","90","","90.7479","0.0043","90","","1288.94","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O S -","- C14 H14 N2 O S -","- C56 H56 N8 O4 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0202","","0.975","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208606","14.50439","0.00092","13.62318","0.00093","7.14076","0.00026","90","","90","","90","","1410.99","0.14","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0174","","0.732","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208607","10.8539","0.0003","11.5075","0.0004","12.5661","0.0004","97.508","0.002","102.88","0.002","113.095","0.002","1365.14","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Br F N O7 -","- C31 H25 Br F N O7 -","- C62 H50 Br2 F2 N2 O14 -","2","1","","Devi Bala, Balasubramanian; Michael Rajesh, Stephen; Perumal, Subbu","An eco-friendly sequential catalyst- and solvent-free four-component stereoselective synthesis of novel 1,4-pyranonaphthoquinones","Green Chemistry","2012","14","9","2484","","10.1039/c2gc35930h","","","0.71073","MoKα","","0.0773","0.0467","","","0.1145","0.1289","","","","","","1.027","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208608","5.9295","0.001","5.9295","0.001","20.79","0.004","90","","90","","120","","633.03","0.19","293","","293","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ba Cu3 H2 O10 V2 -","- Ba Cu3 H3.9996 O9.9998 V1.9998 -","- Ba3 Cu9 H11.9988 O29.9994 V5.9994 -","3","0.0833333","","Yoshida, Hiroyuki; Michiue, Yuichi; Takayama-Muromachi, Eiji; Isobe, Masaaki","β-Vesignieite BaCu3V2O8(OH)2: a structurally perfect S = 1/2 kagomé antiferromagnet","Journal of Materials Chemistry","2012","22","36","18793","","10.1039/c2jm32250a","","x-ray","0.71069","MoKα","","0.0381","0.0217","","","0.0322","0.0337","","","","1.83","1.83","1.69","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208609","24.757","0.004","7.1588","0.0013","19.353","0.004","90","","108.455","0.007","90","","3253.5","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 La O9 P3 -","- C9 H12 La O9 P3 -","- C72 H96 La8 O72 P24 -","8","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.0229","0.0208","","","0.051","0.052","","","","","","1.107","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208610","23.5921","0.0006","7.2774","0.0002","19.7125","0.0005","90","","106.176","0.001","90","","3250.43","0.15","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 La2 O21 P6 -","- C18 H28 La2 O21 P6 -","- C72 H112 La8 O84 P24 -","4","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.031","0.0226","","","0.0501","0.0535","","","","","","1.035","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208611","23.3599","0.0013","7.2198","0.0004","19.7793","0.0011","90","","106.034","0.002","90","","3206.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Ce2 O21 P6 -","- C18 H28 Ce2 O21 P6 -","- C72 H112 Ce8 O84 P24 -","4","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.0307","0.0226","","","0.0462","0.0486","","","","","","1.04","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208612","23.368","0.004","7.204","0.0011","19.745","0.003","90","","106.262","0.007","90","","3190.9","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 O21 P6 Pr2 -","- C18 H24 O21 P6 Pr2 -","- C72 H96 O84 P24 Pr8 -","4","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.0998","0.0497","","","0.1043","0.1213","","","","","","0.974","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208613","23.419","0.005","7.1793","0.0016","19.697","0.004","90","","106.65","0.014","90","","3172.8","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Nd2 O21 P6 -","- C18 H28 Nd2 O21 P6 -","- C72 H112 Nd8 O84 P24 -","4","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.0974","0.0466","","","0.0703","0.081","","","","","","0.981","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208614","27.108","0.005","17.406","0.004","17.248","0.003","90","","90","","90","","8138","3","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H56 Ba2 N4 O24 -","- C24 H56 Ba2 N4 O24 -","- C192 H448 Ba16 N32 O192 -","8","2","","Fu, Da-Wei; Zhang, Yi; Cai, Hong-Ling; Zhu, Hao-miao; Chen, Xue-yuan; Xiong, Ren-Gen","The first example of a molecule-based ferroelectric with barium cation: catena-(μ2-nitrito-O,O)-bi-aqua-(18-crown-6)-barium nitrite","Journal of Materials Chemistry","2012","22","34","17525","","10.1039/c2jm32662k","","","0.71073","MoKα","","0.0278","0.025","","","0.0607","0.0671","","","","","","1.143","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208615","17.573","0.004","17.51","0.004","6.8305","0.0014","90","","90","","90","","2101.8","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Ba N2 O12 -","- C12 H28 Ba N2 O12 -","- C48 H112 Ba4 N8 O48 -","4","0.5","","Fu, Da-Wei; Zhang, Yi; Cai, Hong-Ling; Zhu, Hao-miao; Chen, Xue-yuan; Xiong, Ren-Gen","The first example of a molecule-based ferroelectric with barium cation: catena-(μ2-nitrito-O,O)-bi-aqua-(18-crown-6)-barium nitrite","Journal of Materials Chemistry","2012","22","34","17525","","10.1039/c2jm32662k","","","0.71073","MoKα","","0.0737","0.058","","","0.142","0.1541","","","","","","1.144","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208616","10.292","0.004","7.552","0.003","12.557","0.005","90","","90.007","0.004","90","","976","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O13 P2 Pb V2 -","- O13 P2 Pb V2 -","- O52 P8 Pb4 V8 -","4","1","","Chen, Yan; Liu, Tao; He, Cheng; Duan, Chunying","Mild hydrothermal synthesis, structure and characterization of the vanadyl phosphate hydrate Pb(VOPO4)2·3H2O: the formation of spin dimers in a three dimensional crystal structure","Journal of Materials Chemistry","2012","22","37","19872","","10.1039/c2jm32976j","","","0.71073","MoKα","","0.0366","0.0316","","","0.07","0.0722","","","","","","1.044","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208617","9.7136","0.0019","13.824","0.003","11.003","0.002","90","","90","","90","","1477.5","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O18 P3 Pb3 V3 -","- O18 P3 Pb3 V3 -","- O72 P12 Pb12 V12 -","4","0.5","","Chen, Yan; Liu, Tao; He, Cheng; Duan, Chunying","Mild hydrothermal synthesis, structure and characterization of the vanadyl phosphate hydrate Pb(VOPO4)2·3H2O: the formation of spin dimers in a three dimensional crystal structure","Journal of Materials Chemistry","2012","22","37","19872","","10.1039/c2jm32976j","","","0.71073","MoKα","","0.0545","0.0385","","","0.0801","0.0866","","","","","","1.114","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208618","7.992","0.009","15.777","0.016","3.494","0.004","90","","100.22","0.02","90","","433.6","0.8","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Gd O10 -","- B3 Cd4 Gd O10 -","- B6 Cd8 Gd2 O20 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0392","0.0383","","","0.0928","0.0932","","","","","","1.098","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208619","7.937","0.005","15.778","0.01","3.436","0.002","90","","99.972","0.01","90","","423.8","0.5","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Lu O10 -","- B3 Cd4 Lu O10 -","- B6 Cd8 Lu2 O20 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0529","0.0509","","","0.1298","0.1311","","","","","","1.032","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208620","7.9627","0.001","15.793","0.002","3.4706","0.0004","90","","100.088","0.007","90","","429.7","0.09","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Y -","- B3 Cd4 O10 Y -","- B6 Cd8 O20 Y2 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0439","0.0434","","","0.1027","0.103","","","","","","1.015","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208621","8.511","0.0015","14.954","0.003","8.4748","0.0015","90","","104.292","0.012","90","","1045.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C52 H40 N4 O4 -","2","0.5","","Xu, Zhenzhen; Liao, Qing; Wu, Yishi; Ren, Wenlu; Li, Wei; Liu, Libing; Wang, Shu; Gu, Zhanjun; Zhang, Haoli; Fu, Hongbing","Water-miscible organic J-aggregate nanoparticles as efficient two-photon fluorescent nano-probes for bio-imaging","Journal of Materials Chemistry","2012","22","34","17737","","10.1039/c2jm33081d","","","1.54186","CuKα","","0.0693","0.049","","","0.1121","0.1224","","","","","","1.081","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208622","12.764","0.001","13.065","0.0009","17.742","0.002","75.376","0.005","82.739","0.005","86.361","0.005","2838.3","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","(TTN)Mo6Br14(PhCN)3","Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro, salt with Naphthaceno[5,6-cd:11,12-c'd']bis[1,2]dithiole, compd. with benzonitrile (1:1:3)","","- C39 H23 Br14 Mo6 N3 S4 -","- C39 H23 Br14 Mo6 N3 S4 -","- C78 H46 Br28 Mo12 N6 S8 -","2","1","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0506","0.0506","","","0.1315","0.1315","","","","","","1.094","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208623","11.13","0.003","14.652","0.008","14.653","0.003","116.91","0.03","108.16","0.02","95.13","0.03","1948.3","1.5","","","","","","","","","","","","6","P -1","-P 1","2","(HMTTF)2Mo6I14(PhCN)4","Molybdate(2-), dodeca-m-iododiiodohexa-, octahedro, salt with 4H-Cyclopenta-1,3-dithiole, 2-(5,6-dihydro-4H-cyclopenta-1,3-dithiol- 2-ylidene)-5,6-dihydro-, compd. with benzonitrile (1:2:4)","","- C52 H44 I14 Mo6 N4 S8 -","- C52 H44 I14 Mo6 N4 S8 -","- C52 H44 I14 Mo6 N4 S8 -","1","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0953","0.0953","","","0.2509","0.2509","","","","","","1.122","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208624","10.414","0.004","21.711","0.007","15.958","0.005","90","","93.65","0.03","90","","3601","2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(BO)2Mo6Br14(PhCN)3","Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro , salt with 2-(5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dioxin-2-ylidene)-5,6-dihydro- 1,3-dithiolo[4,5-b][1,4]dioxin, compd. with benzonitrile (1:2:4)","","- C48 H36 Br14 Mo6 N4 O8 S8 -","- C48 H36 Br14 Mo6 N4 O8 S8 -","- C96 H72 Br28 Mo12 N8 O16 S16 -","2","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0577","0.0577","","","0.0795","0.0795","","","","","","1.039","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208625","9.846","0.003","12.408","0.004","12.72","0.004","65.76","0.02","83.01","0.03","81.31","0.03","1397.6","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(TTC1-TTF)2Mo6Br14","Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro , salt with 1,3-Dithiole, 2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-4,5-bis(methylthio)- , compd. (1:2)","","- C20 H24 Br14 Mo6 S16 -","- C20 H24 Br14 Mo6 S16 -","- C20 H24 Br14 Mo6 S16 -","1","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0797","0.0797","","","0.1923","0.1923","","","","","","1.071","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208626","12.688","0.0008","13.9857","0.0009","14.2334","0.0009","89.64","0.001","83.243","0.001","85.746","0.001","2501.3","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","(perylene)6Mo6Br14","Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro , salt with perylene, compd. (1:6)","","- C120 H72 Br14 Mo6 -","- C120 H72 Br14 Mo6 -","- C120 H72 Br14 Mo6 -","1","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0298","0.0298","","","0.075","0.075","","","","","","1.046","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208627","13.088","0.004","13.41","0.004","15.62","0.004","94.76","0.03","116.67","0.03","87.57","0.03","2441.3","1.4","133.2","","133.2","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H70 Br14 Cl2 Cu2 Mo6 N10 -","- C94 H70 Br14 Cl2 Cu2 Mo6 N10 -","- C94 H70 Br14 Cl2 Cu2 Mo6 N10 -","1","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.7107","MoKα","","","0.0413","","","","0.1011","","","","","","1.15","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208628","8.9685","0.0003","10.0847","0.0003","14.7906","0.0005","105.015","0.002","95.313","0.001","90.297","0.001","1285.91","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N4 O2 -","- C30 H30 N4 O2 -","- C60 H60 N8 O4 -","2","1","","Wu, Cheng-An; Chou, Ho-Hsiu; Shih, Cheng-Hung; Wu, Fang-Iy; Cheng, Chien-Hong; Huang, Heh-Lung; Chao, Teng-Chih; Tseng, Mei-Rurng","Synthesis and physical properties of meta-terphenyloxadiazole derivatives and their application as electron transporting materials for blue phosphorescent and fluorescent devices","Journal of Materials Chemistry","2012","22","34","17792","","10.1039/c2jm33376g","","","0.71073","MoKα","","0.0456","0.0369","","","0.0997","0.1152","","","","","","1.094","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208629","10.107","0.002","10.762","0.002","11.847","0.003","76.07","0.03","73.47","0.04","62.02","0.03","1082.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cd N2 O7 -","- C25 H18 Cd N2 O7 -","- C50 H36 Cd2 N4 O14 -","2","1","","Tan, Yi; Fu, Zhiyong; Zeng, Yu; Chen, Hengjun; Liao, Shijun; Zhang, Jie; Dai, Jingcao","Highly stable photochromic crystalline material based on a close-packed layered metal‒viologen coordination polymer","Journal of Materials Chemistry","2012","22","34","17452","","10.1039/c2jm34341j","","","0.71073","MoKα","","0.0452","0.0281","","","0.065","0.0895","","","","","","1.062","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208630","18.6244","0.0004","10.2696","0.0003","8.7992","0.0002","90","","90","","90","","1682.98","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H14 N8 O3 Zn -","- C14 H14 N8 O3 Zn -","- C56 H56 N32 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0304","0.0273","","","0.0679","0.0698","","","","","","1","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208631","18.6627","0.0005","10.5533","0.0004","8.9082","0.0003","90","","90","","90","","1754.5","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H17 N7 O3 Zn -","- C15 H17 N7 O3 Zn -","- C60 H68 N28 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0655","0.0585","","","0.1406","0.1453","","","","","","1.233","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208632","18.4474","0.0007","10.6981","0.0006","8.9454","0.0004","90","","90","","90","","1765.39","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H17 N7 O3 Zn -","- C16 H17 N7 O3 Zn -","- C64 H68 N28 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0496","0.039","","","0.0893","0.0936","","","","","","1.042","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208633","15.665","0.001","13.512","0.0008","33.082","0.002","90","","99.933","0.001","90","","6897.4","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 Eu N10 O11 Zn2 -","- C66 H53 Br4 Eu N10 O11 Zn2 -","- C264 H212 Br16 Eu4 N40 O44 Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.1012","0.0545","","","0.1513","0.1744","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208634","15.755","0.0012","13.537","0.001","33.101","0.003","90","","99.782","0.001","90","","6957","1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 Eu0.75 N10 O11 Tb0.25 Zn2 -","- C66 H53 Br4 Eu0.75 N10 O11 Tb0.25 Zn2 -","- C264 H212 Br16 Eu3 N40 O44 Tb Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.1152","0.0601","","","0.1853","0.2174","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208635","15.68","0.0009","13.515","0.0008","33.051","0.002","90","0.009","99.786","0.008","90","0.009","6902.1","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 Eu0.5 N10 O11 Tb0.5 Zn2 -","- C66 H52 Br4 Eu0.5 N10 O11 Tb0.5 Zn2 -","- C264 H208 Br16 Eu2 N40 O44 Tb2 Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.1005","0.0517","","","0.1424","0.1638","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208636","15.676","0.002","13.514","0.0017","33.055","0.004","90","","99.803","0.002","90","","6900.3","1.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 Eu0.25 N10 O11 Tb0.75 Zn2 -","- C66 H53 Br4 Eu0.25 N10 O11 Tb0.75 Zn2 -","- C264 H212 Br16 Eu N40 O44 Tb3 Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.1149","0.0557","","","0.1512","0.1786","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208637","15.634","0.0008","13.491","0.0007","33.079","0.0018","90","0.001","99.748","0.001","90","0.001","6876.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 N10 O11 Tb Zn2 -","- C66 H53 Br4 N10 O11 Tb Zn2 -","- C264 H212 Br16 N40 O44 Tb4 Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.0927","0.0491","","","0.1355","0.1543","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208638","7.5319","0.0008","15.1775","0.0019","15.61","0.002","90","","98.919","0.003","90","","1762.9","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N6 O5 -","- C17 H18 N6 O5 -","- C68 H72 N24 O20 -","4","1","","Yan, Yi; Zhao, Weiwen; Bhagavathy, Ganga Viswanathan; Faurie, Alexandre; Wang, Ruiyao; Petitjean, Anne","Double-layered alcohol: controlling the macroscopic organization of small molecules through the self-assembly of their receptors","CrystEngComm","2012","14","19","6118","6120","10.1039/c2ce25486g","","","0.71073","MoKα","","0.0681","0.0405","","","0.0933","0.1084","","","","","","1.038","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208639","17.5387","0.0003","13.3386","0.0002","7.8738","0.0001","90","","99.12","0.001","90","","1818.72","0.05","180","2","180","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C17.5 H15 N6 O7.25 -","- C17.5 H11 N6 O7.25 -","- C70 H44 N24 O29 -","4","0.5","","Yan, Yi; Zhao, Weiwen; Bhagavathy, Ganga Viswanathan; Faurie, Alexandre; Wang, Ruiyao; Petitjean, Anne","Double-layered alcohol: controlling the macroscopic organization of small molecules through the self-assembly of their receptors","CrystEngComm","2012","14","19","6118","6120","10.1039/c2ce25486g","","","0.71073","MoKα","","0.0537","0.0484","","","0.1498","0.1617","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208640","3.6687","0.0017","9.932","0.005","10.204","0.005","114.093","0.004","98.647","0.005","97.244","0.005","328.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cu N2 O8 -","- C14 H10 Cu N2 O8 -","- C14 H10 Cu N2 O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0281","0.0262","","","0.0697","0.0712","","","","","","1.141","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208641","3.642","0.0012","9.706","0.003","10.459","0.003","109.23","0.003","100.133","0.003","99.271","0.003","333.96","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N2 Na O8 -","- C14 H11 N2 Na O8 -","- C14 H11 N2 Na O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0438","0.0354","","","0.0865","0.0931","","","","","","1.094","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208642","3.7117","0.0017","9.871","0.004","10.44","0.007","116.081","0.007","97.186","0.007","97.626","0.005","333.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0649","0.0441","","","0.1147","0.1267","","","","","","1.026","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208643","20.376","0.002","13.5114","0.0013","4.39","0.0004","90","","90","","90","","1208.6","0.2","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B7 Li5 O14 Rb2 -","- B7 Li5 O14 Rb2 -","- B28 Li20 O56 Rb8 -","4","0.5","","Yang, Yun; Pan, Shilie; Hou, Xueling; Dong, Xiaoyu; Su, Xin; Yang, Zhihua; Zhang, Min; Zhao, Wenwu; Chen, Zhaohui","Li5Rb2B7O14: a new congruently melting compound with two kinds of B‒O one-dimensional chains and short UV absorption edge","CrystEngComm","2012","14","20","6720","","10.1039/c2ce06742k","","","0.71073","MoKα","","0.0265","0.0248","","","0.0588","0.0592","","","","","","1.069","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208644","14.0268","0.0008","17.7897","0.001","5.0012","0.0003","90","","90","","90","","1247.96","0.12","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C30 H32 N4 O14 -","- C28 H20 N4 O13 -","- C56 H40 N8 O26 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0574","0.0567","","","0.1639","0.1649","","","","","","1.132","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208645","17.7028","0.0017","13.9075","0.0014","5.009","0.0005","90","","90","","90","","1233.2","0.2","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C22 H14 N4 O9 -","- C22 H14 N4 O9 -","- C44 H28 N8 O18 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0484","0.0469","","","0.1459","0.1477","","","","","","1.109","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208646","10.5968","0.0004","12.7228","0.0005","13.1435","0.0005","108.784","0.001","93.287","0.001","91.004","0.001","1673.67","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N7 O8 -","- C37 H27 N7 O8 -","- C74 H54 N14 O16 -","2","1","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0625","0.043","","","0.1043","0.1195","","","","","","1.036","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208647","25.1363","0.0018","14.3111","0.0011","15.8025","0.0012","90","","94.313","0.002","90","","5668.5","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N4 O10 S2 -","- C26 H24 N4 O10 S2 -","- C208 H192 N32 O80 S16 -","8","1","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0638","0.0457","","","0.1077","0.1221","","","","","","1.038","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208648","10.182","0.002","10.773","0.002","20.706","0.004","89.93","0.03","77.78","0.03","62.19","0.03","1950.9","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Mn2 N6 O12 -","- C38 H38 Mn2 N6 O12 -","- C76 H76 Mn4 N12 O24 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0703","0.0651","","","0.088","0.125","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208649","9.6544","0.0019","20.825","0.004","10.138","0.002","90","","117.47","0.03","90","","1808.5","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O5 -","- C19 H17 Co N3 O5 -","- C76 H68 Co4 N12 O20 -","4","2","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.1267","0.0715","","","0.132","0.1519","","","","","","1.013","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208650","9.194","0.0018","10.167","0.002","10.905","0.002","114.8","0.03","97.6","0.03","102.1","0.03","876.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N3 O4 Zn -","- C19 H15 N3 O4 Zn -","- C38 H30 N6 O8 Zn2 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0482","0.0384","","","0.0905","0.109","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208651","12.055","0.002","13.112","0.003","16.94","0.003","90","","107.21","0.03","90","","2557.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 Cd2 N3 O8 -","- C27 H19 Cd2 N3 O8 -","- C108 H76 Cd8 N12 O32 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0542","0.0476","","","0.1302","0.1349","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208652","9.0247","0.0018","10.475","0.002","12.242","0.002","99.96","0.03","110.61","0.03","106.37","0.03","990.4","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Mn N3 O6 -","- C20 H21 Mn N3 O6 -","- C40 H42 Mn2 N6 O12 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0703","0.0454","","","0.1034","0.1408","","","","","","1.092","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208653","9.536","0.0012","17.804","0.002","11.453","0.0016","90","","90","","90","","1944.5","0.4","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 Co N3 O6 -","- C19 H19 Co N3 O6 -","- C76 H76 Co4 N12 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0595","0.0528","","","0.1404","0.1455","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208654","9.4225","0.0018","17.784","0.004","11.416","0.003","90","","90","","90","","1913","0.8","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 N3 Ni O6 -","- C19 H19 N3 Ni O6 -","- C76 H76 N12 Ni4 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0633","0.0567","","","0.1535","0.1589","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208655","18.662","0.004","20.461","0.004","9.4272","0.0019","90","","90","","90","","3599.7","1.3","295","2","295","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C38 H32 N6 O10 Zn3 -","- C38 H32 N6 O10 Zn3 -","- C152 H128 N24 O40 Zn12 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0781","0.049","","","0.1009","0.1173","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208656","12.129","0.0004","12.7912","0.0004","11.0668","0.0004","90","","90","","90","","1716.95","0.1","478","","478","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,4-diazabicyclo(2.2.2)octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C48 H104 Br8 N16 -","8","2","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","powder diffraction","","0.5385","synchrotron","","","","","","","","","5.9364","","","","","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208657","7.542","0.004","10.176","0.005","10.161","0.005","90","","90","","90","","779.8","0.7","296","2","296","2","400000","","","","","","","4","C m c 21","C 2c -2","36","dabcoHBr","1,4-diazabicyclo[2.2.2]octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C24 H52 Br4 N8 -","4","0.5","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","","","0.71073","MoKα","","0.0598","0.0449","","","0.0637","0.072","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208658","5.0482","0.001","9.422","0.0019","10.25","0.002","90","","90","","90","","487.53","0.17","295","2","295","2","","","430000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0619","0.0489","","","0.1242","0.1333","","","","","","1.126","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208659","5.0292","0.001","9.3989","0.0019","10.186","0.002","90","","90","","90","","481.48","0.17","295","2","295","2","","","630000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1224","0.1013","","","0.2764","0.3079","","","","","","1.157","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208660","4.9973","0.001","9.4478","0.0019","10.076","0.002","90","","90","","90","","475.72","0.16","295","2","295","2","","","720000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0375","0.0369","","","0.093","0.0935","","","","","","1.09","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208661","4.9467","0.001","9.3791","0.0019","9.834","0.002","90","","90","","90","","456.25","0.16","295","2","295","2","","","970000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0481","0.0451","","","0.1021","0.1045","","","","","","1.126","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208662","5.058","0.001","5.2221","0.001","16.054","0.003","90","","90","","90","","424.04","0.14","295","2","295","2","","","2140000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1265","0.0805","","","0.2045","0.2255","","","","","","1.025","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208663","5.0122","0.001","5.0885","0.001","16.044","0.003","90","","90","","90","","409.2","0.14","295","2","295","2","","","2330000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1301","0.1118","","","0.2797","0.3005","","","","","","1.101","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208664","6.6041","0.0011","19.562","0.004","14.734","0.003","90","","91.627","0.007","90","","1902.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 Rh2 -","- C14 H14 Cl2 N4 O4 Rh2 -","- C56 H56 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.031","0.0224","","","0.0437","0.0477","","","","","","1.072","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208665","6.6991","0.0009","19.587","0.003","14.9395","0.0019","90","","91.815","0.005","90","","1959.3","0.5","260","2","260","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 Rh2 -","- C14 H14 Cl2 N4 O4 Rh2 -","- C56 H56 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0389","0.0263","","","0.0507","0.058","","","","","","1.081","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208666","6.5871","0.0001","20.6666","0.0005","15.7822","0.0004","90","","100.013","0.001","90","","2115.75","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","0.5","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0284","0.0238","","","0.0556","0.0579","","","","","","1.076","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208667","6.6678","0.001","20.686","0.004","15.926","0.003","90","","100.359","0.009","90","","2160.9","0.7","260","2","260","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","0.5","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0353","0.0241","","","0.0588","0.0649","","","","","","1.05","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208668","6.5663","0.0005","20.5989","0.0018","15.7624","0.0012","90","","100.392","0.004","90","","2097","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0443","0.0375","","","0.0912","0.0942","","","","","","1.159","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208669","13.3579","0.0005","9.9265","0.0004","18.76","0.0007","90","","106.731","0.002","90","","2382.22","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 -","- C12 H18 N4 -","- C96 H144 N32 -","8","2","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0528","0.0389","","","0.0957","0.1041","","","","","","1.02","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208670","9.27","0.002","6.7304","0.0013","9.71","0.004","90","","107.6","0.04","90","","577.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0984","0.0643","","","0.1434","0.1599","","","","","","1.167","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208671","9.194","0.004","6.653","0.003","9.643","0.009","90","","107.72","0.07","90","","561.9","0.7","296","2","296","2","1700000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.1801","0.1125","","","0.2178","0.2507","","","","","","1.137","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208672","9.059","0.003","6.7868","0.0017","10.543","0.004","90","","108.28","0.03","90","","615.5","0.4","296","2","296","2","1000000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0277","0.0258","","","0.0609","0.0617","","","","","","1.178","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208673","9.04","0.003","6.759","0.0009","10.516","0.003","90","","108.45","0.03","90","","609.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0486","0.0447","","","0.1544","0.1566","","","","","","1.679","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208674","8.879","0.003","6.6161","0.0009","10.328","0.003","90","","108.81","0.03","90","","574.3","0.3","296","2","296","2","2400000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.059","0.055","","","0.0882","0.0884","","","","","","1.394","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208675","5.2238","0.0006","22.95","0.003","7.402","0.0008","90","","107.64","0.009","90","","845.67","0.18","273","","273","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4-BP BF4","4-Bromopyridinium tetrafluoroborate","","- C5 H5 B Br F4 N -","- C5 H5 B Br F4 N -","- C20 H20 B4 Br4 F16 N4 -","4","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.087","0.0453","","","0.0995","0.1144","","","","","","1.051","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208676","7.7096","0.0014","6.7687","0.0012","8.5459","0.0015","90","","105.241","0.004","90","","430.27","0.13","89","2","89","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","(3-Brpy)CuF2.2H2O","","","- C5 H8 Br Cu F2 N O2 -","- C5 H8 Br Cu F2 N O2 -","- C10 H16 Br2 Cu2 F4 N2 O4 -","2","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.0235","0.0224","","","0.0615","0.0648","","","","","","1.152","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208677","19.875","0.006","39.36","0.03","4.398","0.004","90","","90","","90","","3440","4","296","2","296","2","80000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1145","0.0994","","","0.2218","0.2367","","","","","","1.291","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208678","19.8523","0.0003","39.3437","0.0007","4.4697","0.0001","90","","90","","90","","3491.12","0.11","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","1.54178","CuKα","","0.0591","0.0579","","","0.1695","0.1714","","","","","","1.11","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208679","19.659","0.009","38.94","0.04","4.07","0.005","90","","90","","90","","3116","5","293","2","296","2","1200000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1802","0.1266","","","0.2628","0.2861","","","","","","1.224","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208680","6.0152","0.0011","12.442","0.002","29.838","0.006","90","","90","","90","","2233.1","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C84 H112 N16 O24 -","4","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.1045","0.0559","","","0.1145","0.1322","","","","","","0.799","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208681","6.037","0.002","11.169","0.004","16.091","0.006","90","","95.612","0.004","90","","1079.8","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N3 O7 -","- C20 H29 N3 O7 -","- C40 H58 N6 O14 -","2","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.0501","0.046","","","0.1272","0.1451","","","","","","1.108","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208682","18.6069","0.0011","19.1286","0.0009","24.0604","0.0014","91.308","0.002","91.075","0.003","94.282","0.004","8535.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(bpy)(H2O))8(W(CN)8)6). 11.8 H2O","{Ni[Ni(bpy)(H2O)]8[W(CN)8]6}. 11.8 H2O","","- C128 H103.6 N64 Ni9 O19.8 W6 -","- C128 H64 N64 Ni9 O19.8 W6 -","- C256 H128 N128 Ni18 O39.6 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.0803","0.0471","","","0.1016","0.1144","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208683","18.4747","0.0011","18.5055","0.0012","27.732","0.002","84.222","0.003","85.211","0.004","87.182","0.003","9392.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(bpy)(solv))8(W(CN)8)6).11H2O","{Ni[Ni(bpy)(solv)]8[W(CN)8]6}.11H2O","","- C134.4 H114.8 N64 Ni9 O19 W6 -","- C134.4 H80 N64 Ni9 O19 W6 -","- C268.8 H160 N128 Ni18 O38 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.1432","0.1125","","","0.2804","0.304","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208684","19.195","0.005","19.843","0.005","20.321","0.005","93.918","0.005","111.191","0.005","115.588","0.005","6273","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dmbpy)(H2O))8(W(CN)8)6)*18H2O","{Ni[Ni(4,4'dmbpy)(H2O)]8[W(CN)8]6}*18H2O","","- C152 H116 N64 Ni9 O12 W6 -","- C152 H116 N64 Ni9 O12 W6 -","- C152 H116 N64 Ni9 O12 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.0652","0.0421","","","0.1057","0.1176","","","","","","1.028","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208685","18.9503","0.0002","19.5178","0.0002","20.1197","0.0002","93.128","0.001","112.145","0.001","115.236","0.001","6025.51","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dmbpy)(H2O))8(W(CN)8)6)*18H2O","{Ni[Ni(4,4'dmbpy)(H2O)]8[W(CN)8]6}*18H2O","","- C160 H140 N66 Ni9 O24 W6 -","- C160 H140 N66 Ni9 O24 W6 -","- C160 H140 N66 Ni9 O24 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.0696","0.0537","","","0.1443","0.1594","","","","","","1.071","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208686","19.12","0.005","19.474","0.005","19.769","0.005","100.32","0.005","105.23","0.005","118.465","0.005","5828","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(5,5'dmbpy)(H2O))8(W(CN)8)6)*8H2O","{Ni[Ni(5,5'dmbpy)(H2O)]8[W(CN)8]6}*8H2O","","- C148 H96 N64 Ni9 O18 W6 -","- C148 H96 N64 Ni9 O18 W6 -","- C148 H96 N64 Ni9 O18 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.1326","0.0684","","","0.1445","0.177","","","","","","1.054","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208687","19.899","0.005","20.113","0.005","31.475","0.005","89.305","0.005","90.024","0.005","73.132","0.005","12054","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(5,5'dmbpy)(H2O))8(W(CN)8)6)*8H2O","{Ni[Ni(5,5'dmbpy)(H2O)]8[W(CN)8]6}*8H2O","","- C148 H89 N65 Ni9 O12 W6 -","- C148 H89 N65 Ni9 O12 W6 -","- C296 H178 N130 Ni18 O24 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.1964","0.0955","","","0.2047","0.2551","","","","","","1.048","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208688","20.2904","0.0002","20.3359","0.0002","21.3903","0.0003","105.6","","111.614","0.001","98.081","0.001","7615.02","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dtbpy)(H2O))8(W(CN)8)6)*17H2O","{Ni[Ni(4,4'dtbpy)(H2O)]8[W(CN)8]6}*17H2O","","- C208 H232 N64 Ni9 O23 W6 -","- C208 H232 N64 Ni9 O23 W6 -","- C208 H232 N64 Ni9 O23 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.1047","0.054","","","0.123","0.1534","","","","","","1.067","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208689","11.582","0.002","15.457","0.003","14.73","0.003","90","","92.69","0.03","90","","2634.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl4 Hg2 N6 -","- C22 H18 Cl4 Hg2 N6 -","- C88 H72 Cl16 Hg8 N24 -","4","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1114","0.0609","","","0.1001","0.1133","","","","","","1.155","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208690","8.2037","0.0016","11.926","0.002","14.227","0.003","88.07","0.03","82.43","0.03","87.89","0.03","1378.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br4 Hg2 N6 -","- C22 H18 Br4 Hg2 N6 -","- C44 H36 Br8 Hg4 N12 -","2","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1123","0.0748","","","0.1744","0.1947","","","","","","1.127","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208691","8.6931","0.0017","12.727","0.003","13.158","0.003","90","","93.54","0.03","90","","1453","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Hg I2 N3 -","- C11 H9 Hg I2 N3 -","- C44 H36 Hg4 I8 N12 -","4","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1007","0.0793","","","0.1845","0.1978","","","","","","1.172","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208692","6.8912","0.0014","12.082","0.002","13.372","0.003","109.97","0.03","100.51","0.03","103.88","0.03","972.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C42 H34 Na2 O12 -","2","1","","Butterhof, Christian; Bärwinkel, Kilian; Senker, Jürgen; Breu, Josef","Polymorphism in co-crystals: a metastable form of the ionic co-crystal 2 HBz·1 NaBz crystallised by flash evaporation","CrystEngComm","2012","14","20","6744","","10.1039/c2ce25562f","","","0.71073","MoKα","","0.1643","0.0461","","","0.092","0.1309","","","","","","0.765","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208693","5.8402","0.0012","14.499","0.003","22.136","0.004","90","","97.18","0.03","90","","1859.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Butterhof, Christian; Bärwinkel, Kilian; Senker, Jürgen; Breu, Josef","Polymorphism in co-crystals: a metastable form of the ionic co-crystal 2 HBz·1 NaBz crystallised by flash evaporation","CrystEngComm","2012","14","20","6744","","10.1039/c2ce25562f","","","0.71073","MoKα","","0.0723","0.0411","","","0.0983","0.1173","","","","","","0.949","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208694","11.7485","0.001","11.7636","0.0012","16.8054","0.0018","73.176","0.005","89.985","0.007","89.854","0.007","2223.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 N2 O18.5 S4 U -","- C36 H44 N2 O18.5 S4 U -","- C72 H88 N4 O37 S8 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.102","0.0899","","","0.2138","0.2207","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208695","11.6416","0.0011","32.87","0.003","12.0455","0.001","90","","90.578","0.006","90","","4609.1","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H100 Ce2 O64 S8 U -","- C56 H40 Ce2 O64 S8 U -","- C112 H80 Ce4 O128 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0899","0.0756","","","0.1803","0.1886","","","","","","1.029","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208696","11.9431","0.0002","19.8987","0.0004","20.4792","0.0004","71.2552","0.0009","78.0759","0.001","77.8533","0.0008","4454.52","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H97 Eu2 O62.5 S8 U -","- C56 H46 Eu2 O62.5 S8 U -","- C112 H92 Eu4 O125 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0737","0.0594","","","0.1518","0.1587","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208697","9.7419","0.0006","18.752","0.0008","32.0657","0.0015","90","","96.542","0.005","90","","5819.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52.5 Co2 N8 O16.25 -","- C50 H42 Co2 N8 O16.25 -","- C200 H168 Co8 N32 O65 -","4","1","","Guo, Jiao; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Two novel 3D metal‒organic frameworks based on two tetrahedral ligands: syntheses, structures, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","20","6609","","10.1039/c2ce25588j","","","0.71073","MoKα","","0.1606","0.081","","","0.1685","0.1965","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208698","9.8633","0.0003","16.4409","0.0006","18.2187","0.0006","90","","94.197","0.003","90","","2946.45","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C103 H102 Cd4 N17 O29 -","- C103 H80 Cd4 N17 O29 -","- C103 H80 Cd4 N17 O29 -","1","0.25","","Guo, Jiao; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Two novel 3D metal‒organic frameworks based on two tetrahedral ligands: syntheses, structures, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","20","6609","","10.1039/c2ce25588j","","","0.71073","MoKα","","0.0774","0.0595","","","0.1613","0.1755","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208699","8.4363","0.0004","5.3754","0.0002","25.8792","0.0012","90","","90","","90","","1173.58","0.09","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H8 Li2 O5 -","- C14 H8 Li2 O5 -","- C56 H32 Li8 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0618","0.036","","","0.0819","0.0884","","","","","","1.018","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208700","29.1055","0.0012","5.7959","0.0002","7.697","0.0003","90","","92.448","0.002","90","","1297.24","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H10 Na2 O6 -","- C14 H10 Na2 O6 -","- C56 H40 Na8 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0391","0.0321","","","0.0705","0.0748","","","","","","1.052","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208701","6.0308","0.0002","28.4845","0.0011","7.0345","0.0003","90","","90","","90","","1208.42","0.08","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 K O5 -","- C14 H9 K O5 -","- C56 H36 K4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0461","0.0343","","","0.0899","0.0946","","","","","","1.041","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208702","6.3248","0.0002","28.4469","0.0009","7.0194","0.0002","90","","90","","90","","1262.94","0.07","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 O5 Rb -","- C14 H9 O5 Rb -","- C56 H36 O20 Rb4 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0431","0.0273","","","0.0679","0.0733","","","","","","1.075","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208703","6.7477","0.0001","28.4272","0.0003","7.0986","0.0001","90","","90","","90","","1361.64","0.03","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 Cs O5 -","- C14 H9 Cs O5 -","- C56 H36 Cs4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0373","0.0291","","","0.0727","0.0762","","","","","","1.015","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208704","14.0657","0.0008","10.0353","0.0006","10.2031","0.0006","90","","105.474","0.003","90","","1388","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Mg O7 -","- C14 H12 Mg O7 -","- C56 H48 Mg4 O28 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.1185","0.0777","","","0.2269","0.2446","","","","","","1.093","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208705","5.633","0.0001","28.9079","0.0005","7.8516","0.0001","90","","95.517","0.001","90","","1272.62","0.04","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Ca O6 -","- C14 H10 Ca O6 -","- C56 H40 Ca4 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0288","0.0258","","","0.0709","0.0731","","","","","","1.044","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208706","29.3128","0.0011","6.3013","0.0002","7.0793","0.0003","90","","90","","90","","1307.61","0.08","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0439","0.0342","","","0.0705","0.0723","","","","","","1.059","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208707","18.5081","0.0005","18.5081","0.0005","13.2016","0.0009","90","","90","","90","","4522.2","0.4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H32 Cd Cu2 N4 O8 -","- C48 H32 Cd Cu2 N4 O8 -","- C192 H128 Cd4 Cu8 N16 O32 -","4","0.25","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Deliberate design of a neutral heterometallic organic framework containing a record 25-fold interpenetrating diamondoid network","CrystEngComm","2012","14","20","6359","","10.1039/c2ce25605c","","","0.71073","MoKα","","0.0662","0.0513","","","0.1596","0.1712","","","","","","1.089","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208708","12.5886","0.0006","12.5886","0.0006","9.218","0.0004","90","","90","","120","","1265.09","0.1","93.1","","93.1","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0616","","","","0.1822","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208709","12.6333","0.0005","12.6333","0.0005","9.258","0.0004","90","","90","","120","","1279.62","0.09","293","","293","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0618","","","","0.1905","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208710","5.8719","0.0012","8.9749","0.0018","9.2191","0.0018","78.23","0.03","78.19","0.03","88.73","0.03","465.46","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cd Cl2 N4 S2 -","- C12 H22 Cd Cl2 N4 S2 -","- C12 H22 Cd Cl2 N4 S2 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0343","0.0315","","","0.078","0.0918","","","","","","1.137","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208711","21.4812","0.0008","5.8879","0.0001","27.0285","0.0008","90","","98.74","0.003","90","","3378.85","0.17","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 Br Cd3 N9 S7 -","- C20 H28 Br Cd3 N9 S7 -","- C80 H112 Br4 Cd12 N36 S28 -","4","1","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0427","0.0365","","","0.0932","0.0965","","","","","","1.038","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208712","11.893","0.002","18.214","0.004","7.3355","0.0015","90","","98.32","0.03","90","","1572.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cd N4 S2 -","- C12 H10 Br2 Cd N4 S2 -","- C48 H40 Br8 Cd4 N16 S8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0306","0.0284","","","0.0689","0.0699","","","","","","1.164","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208713","5.8239","0.0012","9.2118","0.0018","11.001","0.002","105.22","0.03","104.66","0.03","102.32","0.03","525.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0217","0.0203","","","0.0501","0.0506","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208714","7.6572","0.0015","18.782","0.004","8.4532","0.0017","90","","90","","90","","1215.7","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C24 H64 Cd4 Cl16 N8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0168","0.0158","","","0.0378","0.0381","","","","","","1.179","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208715","25.409","0.005","5.9049","0.0012","14.194","0.003","90","","107.94","0.03","90","","2026.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cd N6 S4 -","- C14 H22 Cd N6 S4 -","- C56 H88 Cd4 N24 S16 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0318","0.0259","","","0.0566","0.0585","","","","","","1.123","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208716","18.232","0.003","10.8471","0.0017","18.894","0.003","90","","108.711","0.003","90","","3539.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 N6 O10 Zn2 -","- C33 H38 N6 O10 Zn2 -","- C132 H152 N24 O40 Zn8 -","4","1","","Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Wang, Zhan-Hui; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and fluorescence of two coordination complexes of Zn(ii) and 1,3-bis(2-methylimidazolyl)propane: solvent effect","CrystEngComm","2012","14","20","6726","","10.1039/c2ce25673h","","","0.71073","MoKα","","0.0671","0.0567","","","0.1475","0.1567","","","","","","0.914","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208717","9.695","0.002","18.427","0.004","12.52","0.003","90","","106.434","0.004","90","","2145.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N4 O7 Zn -","- C19 H25 N4 O7 Zn -","- C76 H100 N16 O28 Zn4 -","4","1","","Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Wang, Zhan-Hui; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and fluorescence of two coordination complexes of Zn(ii) and 1,3-bis(2-methylimidazolyl)propane: solvent effect","CrystEngComm","2012","14","20","6726","","10.1039/c2ce25673h","","","0.71073","MoKα","","0.0725","0.0571","","","0.1441","0.1547","","","","","","1.023","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208718","7.1354","0.0004","30.7781","0.0016","9.8145","0.0005","90","","102.696","0.002","90","","2102.7","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0222","0.0214","","","0.0445","0.0447","","","","","","1.321","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208719","13.513","0.001","15.5802","0.0011","20.9805","0.0016","90","","90","","90","","4417.1","0.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C144 H240 N32 O48 W8 -","8","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0421","0.0293","","","0.0785","0.0912","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208720","7.0702","0.0002","23.5538","0.0007","13.0177","0.0004","90","","98.18","0.001","90","","2145.78","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C72 H120 N16 O24 W4 -","4","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0256","0.024","","","0.0629","0.0639","","","","","","1.144","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208721","11.4027","0.0003","23.4885","0.0006","22.6238","0.0005","90","","90","","90","","6059.4","0.3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C64 H60 N8 Ni O3 -","- C64 H60 N8 Ni O3 -","- C256 H240 N32 Ni4 O12 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0642","0.0489","","","0.1211","0.125","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208722","11.6264","0.0002","24.3482","0.0003","22.2375","0.0003","90","","90","","90","","6295.03","0.16","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C68 H68 Cl4 N8 Ni2 O2 -","- C68 H68 Cl4 N8 Ni2 O2 -","- C272 H272 Cl16 N32 Ni8 O8 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0452","0.0372","","","0.0908","0.093","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208723","11.4808","0.0002","23.4663","0.0004","22.5673","0.0004","90","","90","","90","","6079.9","0.18","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C64 H62.8 Br2 N8 Ni O3.4 -","- C64 H56 Br2 N8 Ni O3.4 -","- C256 H224 Br8 N32 Ni4 O13.6 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0933","0.078","","","0.2007","0.2135","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208724","11.1951","0.0002","29.4448","0.0004","18.0834","0.0003","90","","96.759","0.002","90","","5919.54","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.8 H67.2 N10 Ni O8.8 -","- C66.8 H67.2 N10 Ni O8.8 -","- C267.2 H268.8 N40 Ni4 O35.2 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0937","0.049","","","0.1029","0.1101","","","","","","0.927","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208725","23.7034","0.0005","11.7726","0.0003","22.0772","0.0007","90","","90","","90","","6160.7","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H62 Cl2 N8 Ni O9 -","- C67 H62 Cl N8 Ni O5 -","- C268 H248 Cl4 N32 Ni4 O20 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0624","0.0573","","","0.1542","0.1606","","","","","","1.024","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208726","15.7526","0.0005","19.9434","0.0007","19.9541","0.0008","116.937","0.004","103.576","0.003","93.729","0.003","5325.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H98.7 Cl6 N16 Ni3 O1.35 -","- C120 H96 Cl6 N16 Ni3 O1.35 -","- C240 H192 Cl12 N32 Ni6 O2.7 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0986","0.0454","","","0.0784","0.0863","","","","","","0.94","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208727","12.2832","0.0004","15.2035","0.0006","19.4459","0.0006","69.188","0.003","82.117","0.002","68.905","0.003","3166.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69.4 H62.1 Br2 N12.7 Ni -","- C69.4 H62.1 Br2 N12.7 Ni -","- C138.8 H124.2 Br4 N25.4 Ni2 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0892","0.0443","","","0.0858","0.0903","","","","","","0.921","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208728","23.8271","0.0007","11.3058","0.0004","23.1922","0.0008","90","","90","","90","","6247.6","0.4","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C66 H61.6 I2 N8 Ni O2.8 -","- C66 H60 I2 N8 Ni O2.8 -","- C264 H240 I8 N32 Ni4 O11.2 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0463","0.0423","","","0.1158","0.1183","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208729","11.4752","0.0003","22.951","0.0005","22.8593","0.0005","90","","90","","90","","6020.4","0.2","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C64 H64 N10 Ni O10 -","- C64 H60 N10 Ni O10 -","- C256 H240 N40 Ni4 O40 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0582","0.0434","","","0.1067","0.1114","","","","","","0.996","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208730","13.1954","0.0007","23.8866","0.001","11.2041","0.0007","90","","114.105","0.007","90","","3223.5","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C136.8 H129.6 Cl4 N16 Ni2 O21.6 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0955","0.0875","","","0.2353","0.2476","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208731","17.4689","0.0004","8.7125","0.0002","18.7322","0.0004","90","","90","","90","","2851","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H28 Cl2 N4 Ni -","- C32 H28 Cl2 N4 Ni -","- C128 H112 Cl8 N16 Ni4 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0665","0.0328","","","0.0608","0.0653","","","","","","0.846","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208732","28.6711","0.0003","28.6711","0.0003","14.0797","0.0002","90","","90","","90","","11574","0.2","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 N4 Ni -","- C32 H28 Br2 N4 Ni -","- C512 H448 Br32 N64 Ni16 -","16","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0334","0.0251","","","0.0454","0.0461","","","","","","0.902","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208733","6.0809","0.0003","7.3878","0.0005","16.0562","0.001","100.554","0.006","98.892","0.005","94.548","0.005","696.28","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N6 Ni O4 -","- C32 H28 N6 Ni O4 -","- C32 H28 N6 Ni O4 -","1","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0742","0.0725","","","0.1905","0.191","","","","","","1.065","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208734","9.995","0.002","11.41","0.003","11.572","0.003","87.877","0.004","88.749","0.004","83.876","0.003","1311.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C60 H52 Cd2 N8 O8 -","2","1","","Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng","Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer","CrystEngComm","2012","14","23","7856","","10.1039/c2ce25706h","","","0.71073","MoKα","","0.0489","0.0382","","","0.0961","0.1043","","","","","","1.032","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208735","10.237","0.012","11.827","0.014","14.256","0.016","91.67","0.02","109.35","0.02","103.26","0.02","1575","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Br4 N4 O4 Zn -","- C30 H22 Br4 N4 O4 Zn -","- C60 H44 Br8 N8 O8 Zn2 -","2","1","","Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng","Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer","CrystEngComm","2012","14","23","7856","","10.1039/c2ce25706h","","","0.71073","MoKα","","0.1194","0.0532","","","0.1195","0.1523","","","","","","0.887","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208736","16.4467","0.0011","7.9431","0.0004","26.0004","0.0019","90","","90","","90","","3396.6","0.4","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C19 H23 N2 S2 -","- C19 H23 N2 S2 -","- C152 H184 N16 S16 -","8","","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1661","0.1384","","","0.3609","0.3854","","","","","","1.768","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208737","8.9908","0.0002","8.1469","0.0002","22.5487","0.0006","90","","90.993","0.001","90","","1651.38","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 S2 -","- C18 H22 N2 S2 -","- C72 H88 N8 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0648","0.0423","","","0.0939","0.103","","","","","","1.031","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208738","8.6109","0.001","8.8251","0.001","22.832","0.003","90","","91.635","0.002","90","","1734.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N2 O0 S2 -","- C18 H23 N2 S2 -","- C72 H92 N8 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1434","0.0894","","","0.2616","0.3191","","","","","","1.059","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208739","10.4455","0.0004","16.5989","0.0007","11.7361","0.0005","90","","92.14","0.002","90","","2033.43","0.14","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Ag Cl F0 N2 O4 P0 S2 -","- C18 H22 Ag Cl N2 O4 S2 -","- C72 H88 Ag4 Cl4 N8 O16 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0826","0.0643","","","0.176","0.1881","","","","","","1.028","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208740","22.717","0.003","8.7709","0.001","20.543","0.002","90","","91.765","0.002","90","","4091.2","0.8","173","2","173","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 Ag Cl N2 O4 S2 -","- C18 H22 Ag Cl N2 O4 S2 -","- C144 H176 Ag8 Cl8 N16 O32 S16 -","8","2","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0744","0.0455","","","0.1029","0.1188","","","","","","1.025","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208741","13.4295","0.0007","17.027","0.0009","20.1592","0.0011","90","","90","","90","","4609.7","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H25 Ag Cl N3 O4 S2 -","- C20 H25 Ag Cl N3 O4 S2 -","- C160 H200 Ag8 Cl8 N24 O32 S16 -","8","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0717","0.0631","","","0.1117","0.1143","","","","","","1.344","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208742","33.8229","0.0008","7.4038","0.0002","9.1147","0.0002","90","","90","","90","","2282.48","0.1","173","2","173","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C19 H26 Ag2 N4 O7 S2 -","- C19 H26 Ag2 N4 O7 S2 -","- C76 H104 Ag8 N16 O28 S8 -","4","0.5","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.09","0.0871","","","0.2165","0.218","","","","","","1.208","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208743","8.1769","0.0013","10.2311","0.0016","13.132","0.002","77.649","0.007","83.949","0.008","78.854","0.007","1050.6","0.3","172","2","172","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Hg N4 O6 S2 -","- C18 H22 Hg N4 O6 S2 -","- C36 H44 Hg2 N8 O12 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0412","0.0358","","","0.1128","0.1402","","","","","","0.912","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208744","8.41","0.0008","9.2205","0.001","15.1951","0.0017","90","","93.107","0.005","90","","1176.6","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 Cu N2 O9 S2 -","- C18 H24 Cl2 Cu N2 O9 S2 -","- C36 H48 Cl4 Cu2 N4 O18 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0533","0.052","","","0.1456","0.147","","","","","","1.03","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208745","16.5333","0.0012","10.1786","0.0007","16.9387","0.0012","90","","117.185","0.003","90","","2535.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl2 N2 O9 Pb S2 -","- C19 H24 Cl2 N2 O9 Pb S2 -","- C76 H96 Cl8 N8 O36 Pb4 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0297","0.0286","","","0.0835","0.0843","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208746","5.48888","0.00009","5.4611","0.00009","24.9512","0.0004","90","","90","","90","","747.92","0.02","298","","298","","","","","","","","","4","A 21 a m","A -2 2a","36","","","","- Bi2.5 Na0.5 Nb2 O9 -","- Bi2.5 Na0.5 Nb2 O9 -","- Bi10 Na2 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0768","","","","0.1009","","","1.2","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208747","5.49254","0.00012","5.47896","0.00013","24.8632","0.0005","90","","90","","90","","748.22","0.03","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Bi2 La0.5 Na0.5 Nb2 O9 -","- Bi2.0002 La0.4996 Na0.5 Nb2 O9 -","- Bi8.0008 La1.9984 Na2 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0876","","","","0.1122","","","1.3","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208748","5.48754","0.00008","5.47967","0.00009","24.8523","0.0004","90","","90","","90","","747.31","0.02","298","","298","","","","","","","","","6","A 21 a m","A -2 2a","36","","","","- Bi2 La0.5 Na0.5 Nb1.972 O9 W0.023 -","- Bi2 La0.5002 Na0.5001 Nb1.972 O9 W0.024 -","- Bi8 La2.0008 Na2.0004 Nb7.888 O36 W0.096 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0713","","","","0.0914","","","1.31","","","","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208749","11.1768","0.0005","12.2798","0.0007","13.8457","0.0005","92.345","0.004","101.299","0.004","110.315","0.005","1735.26","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cu3 Mo12 N18 O40 P -","- C36 H36 Cu3 Mo12 N18 O40 P -","- C36 H36 Cu3 Mo12 N18 O40 P -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.0765","0.035","","","0.0391","0.0417","","","","","","0.806","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208750","11.79","0.002","12.562","0.003","13.051","0.003","81.35","0.03","71.88","0.03","72.32","0.03","1747","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43 Cu2 Mo12 N18 O42.5 Si -","- C36 H38 Cu2 Mo12 N18 O42.5 Si -","- C36 H38 Cu2 Mo12 N18 O42.5 Si -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.086","0.0772","","","0.1722","0.178","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208751","14.0334","0.0009","14.4092","0.0009","15.3559","0.0009","87.956","0.001","62.931","0.001","72.497","0.001","2618.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cu6 N36 O42 Si W12 -","- C72 H72 Cu6 N36 O42 Si W12 -","- C72 H72 Cu6 N36 O42 Si W12 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.0529","0.0418","","","0.0867","0.0939","","","","","","1.075","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208752","10.343","0.0011","10.4839","0.0011","11.3463","0.0012","90","","91.229","0.003","90","","1230.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","1","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0534","0.0468","","","0.1211","0.126","","","","","","1.027","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208753","13.218","0.004","5.8309","0.0018","18.241","0.006","90","","108.237","0.015","90","","1335.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O8 -","- C30 H24 N2 O8 -","- C60 H48 N4 O16 -","2","0.5","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0568","0.0372","","","0.0851","0.0983","","","","","","1.052","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208754","13.257","0.003","18.326","0.004","7.1499","0.0014","90","","115.93","0.03","90","","1562.2","0.7","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H32 Mg2 O28 S4 -","- C12 H32 Mg2 O28 S4 -","- C24 H64 Mg4 O56 S8 -","2","0.25","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0969","0.0727","","","0.1861","0.2118","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208755","8.2224","0.0016","8.8596","0.0018","10.543","0.002","87.39","0.03","68.54","0.03","77.46","0.03","697.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Ca O12 S2 -","- C6 H12 Ca O12 S2 -","- C12 H24 Ca2 O24 S4 -","2","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0757","0.0742","","","0.0985","0.1237","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208756","12.88","0.003","17.407","0.004","16.87","0.003","90","","90","","90","","3782.3","1.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H21 Ca2 O17.5 S2 -","- C6 H21 Ca2 O17.5 S2 -","- C48 H168 Ca16 O140 S16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0453","0.0433","","","0.1293","0.1306","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7208757","21.868","0.004","17.015","0.003","7.9824","0.0016","90","","93.2","0.03","90","","2965.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 O12 S2 Sr -","- C6 H12 O12 S2 Sr -","- C48 H96 O96 S16 Sr8 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0744","0.0595","","","0.1339","0.1457","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208758","19.134","0.004","8.1984","0.0016","19.519","0.004","90","","90","","90","","3061.9","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 O13 S2 Sr2 -","- C6 H12 O13 S2 Sr2 -","- C48 H96 O104 S16 Sr16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0718","0.0576","","","0.1452","0.1568","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208759","19.875","0.004","7.8394","0.0016","8.8456","0.0018","90","","90","","90","","1378.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H12 Ba O12 S2 -","- C6 H12 Ba O12 S2 -","- C24 H48 Ba4 O48 S8 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0318","0.0315","","","0.0745","0.0747","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208760","5.8767","0.0012","16.476","0.003","7.5012","0.0015","90","","94.47","0.03","90","","724.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 Ba O6 S -","- C3 H5 Ba O6 S -","- C12 H20 Ba4 O24 S4 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0312","0.03","","","0.0756","0.0764","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208761","11.2814","0.0012","9.9474","0.0011","13.2863","0.0015","90","","108.784","0.001","90","","1411.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Br2 Cd N2 O4 -","- C12 H6 Br2 Cd N2 O4 -","- C48 H24 Br8 Cd4 N8 O16 -","4","1","","Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio","Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities","CrystEngComm","2012","14","20","6390","","10.1039/c2ce25807b","","","0.71073","MoKα","","0.0423","0.0323","","","0.0723","0.0772","","","","","","1.021","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208762","15.0926","0.0018","16.9747","0.0018","14.44","0.0016","90","","120.52","0.04","90","","3186.9","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Br4 Co2 N4 O9 -","- C24 H14 Br4 Co2 N4 O9 -","- C96 H56 Br16 Co8 N16 O36 -","4","0.5","","Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio","Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities","CrystEngComm","2012","14","20","6390","","10.1039/c2ce25807b","","","0.71073","MoKα","","0.0923","0.0669","","","0.204","0.2289","","","","","","1.064","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208763","6.7842","0.0019","7.258","0.002","21.155","0.006","90","","96.751","0.008","90","","1034.4","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71069","MoKα","","0.0534","0.0525","","","0.1449","0.1454","","","","","","1.153","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208764","13.4975","0.0006","6.642","0.0002","13.5534","0.0006","90","","118.641","0.002","90","","1066.39","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 F N4 O -","- C10 H11 F N4 O -","- C40 H44 F4 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71073","MoKα","","0.0672","0.0541","","","0.1112","0.1202","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208765","13.4984","0.0008","6.6361","0.0004","14.0835","0.0005","90","","118.38","0.003","90","","1109.93","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl N4 O -","- C10 H11 Cl N4 O -","- C40 H44 Cl4 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71073","MoKα","","0.0859","0.0483","","","0.1133","0.1332","","","","","","1.019","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208766","13.4204","0.0006","16.5076","0.0007","28.1263","0.0013","90","","90","","90","","6231.1","0.5","273","2","273","2","","","","","","","","5","I b c a","-I 2b 2c","73","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C8 H16 Ag2 N2 O10 -","- C8 H16 Ag2 N2 O10 -","- C128 H256 Ag32 N32 O160 -","16","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0464","0.0365","","","0.0753","0.0785","","","","","","1.07","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208767","16.3286","0.0008","13.4452","0.0005","28.0645","0.0014","90","","90.8","0.004","90","","6160.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C32 H64 Ag8 N8 O40 -","- C32 H64 Ag8 N8 O40 -","- C128 H256 Ag32 N32 O160 -","4","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.091","0.0438","","","0.0881","0.0973","","","","","","0.865","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208768","12.1262","0.0013","17.6035","0.0016","14.7902","0.0012","90","","93.461","0.008","90","","3151.4","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(24-crown-8) tetrasilver nitrate dihydrate","(24-crown-8) tetrasilver nitrate dihydrate","","- C16 H36 Ag4 N4 O22 -","- C16 H36 Ag4 N4 O22 -","- C64 H144 Ag16 N16 O88 -","4","0.5","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0481","0.036","","","0.0939","0.101","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208769","7.778","0.002","22.865","0.007","16.384","0.005","90","","99.471","0.005","90","","2874.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N3 O8 Zn2 -","- C33 H23 N3 O8 Zn2 -","- C132 H92 N12 O32 Zn8 -","4","1","","Zhang, Shu-quan; Jiang, Fei-long; Bu, Yang; Wu, Ming-yan; Ma, Jie; Shan, Xiao-chen; Xiong, Ke-cai; Hong, Mao-chun","Two dual-emissive Zn(ii) coordination polymers with tunable photoluminescence properties","CrystEngComm","2012","14","20","6394","","10.1039/c2ce25880c","","","0.71073","MoKα","","0.0462","0.0393","","","0.1068","0.1131","","","","","","1.014","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208770","11.697","0.002","14.521","0.003","14.76","0.003","73.646","0.004","73.937","0.005","87.731","0.007","2309.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N4 O15 Zn2 -","- C54 H38 N4 O15 Zn2 -","- C108 H76 N8 O30 Zn4 -","2","1","","Zhang, Shu-quan; Jiang, Fei-long; Bu, Yang; Wu, Ming-yan; Ma, Jie; Shan, Xiao-chen; Xiong, Ke-cai; Hong, Mao-chun","Two dual-emissive Zn(ii) coordination polymers with tunable photoluminescence properties","CrystEngComm","2012","14","20","6394","","10.1039/c2ce25880c","","","0.71073","MoKα","","0.0637","0.045","","","0.0927","0.1","","","","","","0.935","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208771","31.956","0.011","13.755","0.004","16.234","0.006","90","","118.944","0.003","90","","6244","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H35.5 N6 Ni O6.25 -","- C34 H35.5 N6 Ni O6.25 -","- C272 H284 N48 Ni8 O50 -","8","1","","Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","A 2D→3D net with coexistence of polycatenation and polythreading constructed by long rigid and flexible ligands","CrystEngComm","2012","14","20","6397","","10.1039/c2ce25911g","","","0.71073","MoKα","","0.0544","0.0435","","","0.1142","0.1213","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208772","34.628","0.002","18.2216","0.0006","23.1357","0.0018","90","","118.404","0.009","90","","12840.7","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cd3 Cl3 N5 O21.5 -","- C42 H33 Cd3 Cl3 N5 O15 -","- C336 H264 Cd24 Cl24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.1183","0.092","","","0.2796","0.3136","","","","","","1.188","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208773","35.319","0.003","18.2332","0.001","23.452","0.002","90","","120.172","0.01","90","","13056","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H60 Cd3 N5 O15 -","- C68 H60 Cd3 N5 O15 -","- C544 H480 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.0829","0.0694","","","0.1849","0.1926","","","","","","1.094","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208774","34.799","0.002","18.4666","0.0011","23.031","0.002","90","","118.787","0.01","90","","12971","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 Cd3 N5 O23 -","- C48 H40 Cd3 N5 O15 -","- C384 H320 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","1.54184","CuKα","","0.0783","0.0724","","","0.2118","0.2207","","","","","","1.069","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208775","34.0339","0.001","18.7606","0.0004","22.3666","0.0007","90","","116.429","0.004","90","","12788.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 Cd3 N6 O26 -","- C44 H40 Cd3 N6 O16 -","- C352 H320 Cd24 N48 O128 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.0976","0.0608","","","0.1555","0.172","","","","","","0.963","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208776","33.943","0.002","18.5224","0.0011","21.2174","0.0018","90","","116.291","0.009","90","","11959.6","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 Cd3 N5 O26 -","- C41 H26 Cd3 N5 O15 -","- C328 H208 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.1729","0.1416","","","0.3656","0.3967","","","","","","1.305","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208777","10.635","0.009","15.32","0.013","15.753","0.013","82.79","0.009","73.747","0.009","73.244","0.01","2357","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H58 N8 Nd2 O28 S7 -","- C14 H58 N8 Nd2 O28 S7 -","- C28 H116 N16 Nd4 O56 S14 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0774","0.0529","","","0.1618","0.1796","","","","","","1.184","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208778","9.6036","0.0008","10.449","0.0009","10.5171","0.0009","72.164","0.001","72.66","0.001","75.19","0.001","943.18","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Eu N3 O12 S3 -","- C6 H24 Eu N3 O12 S3 -","- C12 H48 Eu2 N6 O24 S6 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0232","0.0226","","","0.0638","0.0642","","","","","","1.239","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208779","10.9333","0.0009","10.2837","0.0009","31.318","0.003","90","","90","","90","","3521.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Eu N3 O12 S3 -","- C5 H21 Eu N3 O12 S3 -","- C40 H168 Eu8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0371","0.0307","","","0.0789","0.081","","","","","","1.144","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208780","10.9321","0.0017","10.272","0.0016","31.325","0.005","90","","90","","90","","3517.6","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Gd N3 O12 S3 -","- C5 H21 Gd N3 O12 S3 -","- C40 H168 Gd8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0452","0.0314","","","0.0679","0.0717","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208781","10.919","0.004","10.236","0.003","31.206","0.01","90","","90","","90","","3488","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 N3 O12 S3 Tb -","- C5 H21 N3 O12 S3 Tb -","- C40 H168 N24 O96 S24 Tb8 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0369","0.0261","","","0.0656","0.0703","","","","","","0.978","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208782","9.832","0.005","11.001","0.006","15.288","0.008","70.555","0.006","75.366","0.007","67.367","0.005","1424.4","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 Dy2 N4 O20 S5 -","- C8 H32 Dy2 N4 O20 S5 -","- C16 H64 Dy4 N8 O40 S10 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.1083","0.0749","","","0.1834","0.1991","","","","","","1.066","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208783","8.726","0.0018","9.828","0.002","13.475","0.003","99.102","0.002","92.703","0.003","115.764","0.002","1018.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Dy2 N10 O32 S8 -","- C10 H50 Dy2 N10 O32 S8 -","- C10 H50 Dy2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0541","0.0428","","","0.0984","0.1029","","","","","","1.012","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208784","8.734","0.002","9.824","0.003","13.466","0.004","99.028","0.003","92.819","0.003","115.737","0.003","1018.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Ho2 N10 O32 S8 -","- C10 H50 Ho2 N10 O32 S8 -","- C10 H50 Ho2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0307","0.0267","","","0.0596","0.0611","","","","","","1","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208785","8.7375","0.0018","9.817","0.002","13.443","0.003","98.975","0.002","92.892","0.002","115.75","0.002","1016.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Er2 N10 O32 S8 -","- C10 H50 Er2 N10 O32 S8 -","- C10 H50 Er2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0234","0.0221","","","0.0574","0.0579","","","","","","1.199","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208786","8.727","0.004","9.793","0.004","13.407","0.009","99.014","0.007","93.045","0.007","115.736","0.004","1009.9","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N10 O32 S8 Tm2 -","- C10 H50 N10 O32 S8 Tm2 -","- C10 H50 N10 O32 S8 Tm2 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0368","0.0315","","","0.065","0.0669","","","","","","1.024","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208787","8.744","0.01","9.802","0.012","13.444","0.016","99.049","0.013","93.013","0.013","115.786","0.013","1015","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N10 O32 S8 Yb2 -","- C10 H50 N10 O32 S8 Yb2 -","- C10 H50 N10 O32 S8 Yb2 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0374","0.0326","","","0.0706","0.0752","","","","","","1.171","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208788","8.7343","0.0006","9.785","0.0007","13.3866","0.0014","98.95","0.001","93.16","0.001","115.715","0.001","1008.52","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Lu2 N10 O32 S8 -","- C10 H50 Lu2 N10 O32 S8 -","- C10 H50 Lu2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0292","0.0259","","","0.0586","0.0598","","","","","","1.043","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208789","7.6843","0.0005","5.5794","0.0004","9.4459","0.0007","90","","100.949","0.004","90","","397.61","0.05","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-H-Tetrazole, 1-(Phenylmethyl)","1-H-Tetrazole, 1-(Phenylmethyl)","","- C8 H8 N4 -","- C8 H8 N4 -","- C16 H16 N8 -","2","1","","Spencer, John; Patel, Hiren; Deadman, John J.; Palmer, Rex A.; Male, Louise; Coles, Simon J.; Uzoh, Ogaga G.; Price, Sarah L.","The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole","CrystEngComm","2012","14","20","6441","","10.1039/c2ce25940k","","","0.71073","MoKα","","0.0694","0.0447","","","0.0786","0.087","","","","","","1.081","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208790","25.759","0.0008","13.593","0.0004","27.142","0.0008","90","","116.68","","90","","8491.7","0.4","187","2","187","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","- C224 H224 Ag16 N64 O160 Si4 W48 -","4","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0446","0.0326","","","0.0708","0.0763","","","","","","1.02","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208791","12.5035","0.0004","13.6536","0.0005","14.4885","0.0005","115.173","0.001","91.44","0.001","107.595","0.001","2099.67","0.13","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71073","MoKα","","0.043","0.0335","","","0.0753","0.0803","","","","","","1.046","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208792","15.087","0.0008","15.343","0.0008","26.042","0.0014","95.941","0.001","100.639","0.001","115.479","0.001","5233.5","0.5","187","2","187","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H162.2 Ag7 N32 Na2 O147.6 P4 W36 -","- C112 H112 Ag7 N32 Na2 O126 P4 W36 -","- C112 H112 Ag7 N32 Na2 O126 P4 W36 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0887","0.0555","","","0.1459","0.163","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208793","16.769","0.0006","16.8322","0.0006","21.3485","0.0007","88.713","0.001","82.497","0.001","76.926","0.001","5819.2","0.4","187","2","187","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H70 Ag5 K2 N20 O64 P2 W18 -","- C70 H70 Ag5 K2 N20 O64 P2 W18 -","- C140 H140 Ag10 K4 N40 O128 P4 W36 -","2","1","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0564","0.0383","","","0.0967","0.114","","","","","","1.057","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208794","9.613","0.0003","12.409","0.0004","14.163","0.0005","68.306","0.001","76.9","0.001","78.21","","1515.33","0.09","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H44 Ag2 N8 O47.5 P W12 -","- C28 H28 Ag2 N8 O40 P W12 -","- C28 H28 Ag2 N8 O40 P W12 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.035","0.0313","","","0.0797","0.0823","","","","","","1.014","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208795","25.907","0.003","11.9344","0.0012","23.796","0.003","90","","114.356","0.002","90","","6702.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 Ag3 N11 O21 -","- C50 H48 Ag3 N11 O17 -","- C200 H192 Ag12 N44 O68 -","4","0.5","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0746","0.0539","","","0.1632","0.1742","","","","","","1.12","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208796","10.0372","0.0009","10.0372","0.0009","17.607","0.004","90","","90","","90","","1773.8","0.5","293","2","293","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C25 H32 Ag2 N6 O14 -","- C25 H32 Ag2 N6 O13 -","- C50 H64 Ag4 N12 O26 -","2","0.25","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0851","0.0789","","","0.1966","0.2046","","","","","","1.148","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208797","10.2262","0.0004","12.7262","0.0005","18.4057","0.0007","108.983","0.002","93.755","0.002","97.731","0.002","2229.16","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H36 Cd2 N6 O12 -","- C49 H36 Cd2 N6 O12 -","- C98 H72 Cd4 N12 O24 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0348","0.0293","","","0.0738","0.084","","","","","","1.166","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208798","9.4363","0.0001","9.4363","0.0001","33.2595","0.0006","90","","90","","90","","2961.55","0.07","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H22 N4 O6 Zn -","- C34 H22 N4 O6 Zn -","- C136 H88 N16 O24 Zn4 -","4","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0458","0.0382","","","0.0661","0.0707","","","","","","1.079","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208799","9.0717","0.0003","9.5953","0.0003","24.5297","0.0009","79.486","0.002","85.167","0.002","88.973","0.002","2091.88","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H39 Cd N6 O7 -","- C50 H39 Cd N6 O7 -","- C100 H78 Cd2 N12 O14 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0571","0.0465","","","0.1093","0.1195","","","","","","1.015","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208800","10.6827","0.0002","14.4414","0.0003","14.6757","0.0003","102.886","0.001","99.604","0.001","104.259","0.001","2079.29","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 N12 O29 Zn4 -","- C84 H70 N12 O29 Zn4 -","- C84 H70 N12 O29 Zn4 -","1","0.5","","Huang, Hai-xiao; Luo, Feng; Sun, Gong-ming; Song, Yu-mei; Tian, Xiao-zhao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao","The first 2D→3D polycatenation array built on (3,4)-connected bilayer nets","CrystEngComm","2012","14","23","7861","","10.1039/c2ce26043c","","","0.71073","MoKα","","0.0642","0.0406","","","0.1119","0.1278","","","","","","1.067","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208801","8.8489","0.0007","4.9807","0.0004","18.7046","0.0016","90","","100.158","0.002","90","","811.46","0.11","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanidinium Carbamoyldicyanomethanide","Guanidinium Carbamoyldicyanomethanide","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","1","","Turner, David R.; Edwards, Alison J.; Piltz, Ross O.","Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network","CrystEngComm","2012","14","20","6447","","10.1039/c2ce26052b","","","0.71073","MoKα","","0.0393","0.036","","","0.0836","0.0869","","","","","","1.108","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208802","8.8489","0.0007","4.9807","0.0004","18.7046","0.0016","90","","100.158","0.002","90","","811.46","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanidinium Carbamoyldicyanomethanide","","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","1","","Turner, David R.; Edwards, Alison J.; Piltz, Ross O.","Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network","CrystEngComm","2012","14","20","6447","","10.1039/c2ce26052b","","neutron","","neutron","","0.0413","0.0271","","","0.0543","0.0579","","","","","","0.908","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208803","30.9991","0.001","10.1021","0.0004","20.4318","0.0008","90","","110.727","0.003","90","","5984.2","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 N20 O18 Pb3 -","- C46 H48 N20 O18 Pb3 -","- C184 H192 N80 O72 Pb12 -","4","0.5","","Hashemi, Lida; Morsali, Ali","Reversible crystal-to-crystal transformation in nano-porous three-dimensional lead(ii) MOFs; study of solvent attendance on iodide adsorption affinity","CrystEngComm","2012","14","24","8349","","10.1039/c2ce26056e","","","0.71073","MoKα","","0.1702","0.1076","","","0.2029","0.2286","","","","","","1.114","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208804","10.152","0.003","17.953","0.006","18.062","0.006","90","","94.62","0.01","90","","3281.3","1.8","115","2","388","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H57 Co4 N4 O36 -","- C48 H57 Co4 N4 O35.5 -","- C48 H57 Co4 N4 O35.5 -","1","0.5","","Zou, Yang; Yu, Chaoyong; Li, Yuanyuan; Lah, Myoung Soo","A 3-dimensional coordination polymer with a rare lonsdaleite topology constructed from a tetrahedral ligand","CrystEngComm","2012","14","21","7174","","10.1039/c2ce26109j","","","0.71073","MoKα","","0.1503","0.102","","","0.2662","0.2951","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208805","29.61","0.004","29.61","0.004","9.77","0.002","90","","90","","90","","8566","2","298","2","298","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H38 Cu2 N2 O9 P4 -","- C38 H36 Cu2 N2 O9 P4 -","- C304 H288 Cu16 N16 O72 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","1.5418","CuKα","","0.2049","0.0798","","","0.1724","0.226","","","","","","0.991","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208806","29.573","0.003","29.573","0.003","9.736","0.003","90","","90","","90","","8515","3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H36 Cu2 N2 O8 P4 -","- C38 H36 Cu2 N2 O8 P4 -","- C304 H288 Cu16 N16 O64 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","0.71073","MoKα","","0.0631","0.046","","","0.1085","0.1166","","","","","","1.058","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208807","11.328","0.002","13.975","0.003","18.27","0.003","106.019","0.004","100.171","0.004","102.572","0.003","2625.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H50 Ag4 N14 O18 -","- C47 H50 Ag4 N14 O18 -","- C94 H100 Ag8 N28 O36 -","2","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0828","0.0661","","","0.1228","0.1308","","","","","","1.169","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208808","19.314","0.004","12.146","0.002","17.814","0.004","90","","106.86","0.03","90","","3999.3","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H34 Ag3 N11 O11 -","- C37 H34 Ag3 N11 O11 -","- C148 H136 Ag12 N44 O44 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0344","0.0306","","","0.0657","0.0688","","","","","","1.013","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208809","14.01","0.004","11.38","0.003","18.085","0.005","90","","101.627","0.005","90","","2824.2","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Ag2 N8 O7 -","- C27 H24 Ag2 N8 O7 -","- C108 H96 Ag8 N32 O28 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0994","0.0767","","","0.1979","0.2106","","","","","","1.189","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208810","12.3175","0.0005","13.2596","0.0006","25.4769","0.0011","88.893","0.002","88.152","0.002","79.98","0.002","4095","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","AR-ZZ4 pentyl 4-pyridyl cavitand, 1,4-I2-F4-benzene","","- C88 H82 F8 I4 N6 O8 -","- C88 H82 F8 I4 N6 O8 -","- C176 H164 F16 I8 N12 O16 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio","The quest for a molecular capsule assembled via halogen bonds","CrystEngComm","2012","14","20","6366","","10.1039/c2ce26173a","","","0.71073","MoKα","","0.0806","0.0513","","","0.1244","0.1412","","","","","","1.033","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208811","18.758","0.003","19.828","0.003","22.558","0.003","100.106","0.01","98.682","0.01","110.342","0.009","7538","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C159 H160.5 F16 I4 N9.5 O16 -","- C158.999 H160.5 F15.9996 I3.9999 N9.5 O15.9999 -","- C317.998 H320.999 F31.9992 I7.9998 N19 O31.9998 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio","The quest for a molecular capsule assembled via halogen bonds","CrystEngComm","2012","14","20","6366","","10.1039/c2ce26173a","","","0.71073","MoKα","","0.3358","0.2076","","","0.4356","0.476","","","","","","2.216","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208812","7.7265","0.0016","9.864","0.002","22.541","0.005","79.457","0.004","89.924","0.007","89.993","0.004","1688.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C76 H64 Cl4 N4 O20 -","4","2","","Báthori, Nikoletta B.; Oliver, Clive L.","Polymorphism of the β,γ-hydroxylactone derived from indomethacin","CrystEngComm","2012","14","24","8361","","10.1039/c2ce26188j","","","0.71073","MoKα","","0.127","0.0588","","","0.1068","0.1283","","","","","","1.005","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208813","8.6273","0.0017","9.5152","0.0019","10.644","0.002","81.61","0.03","75.88","0.03","86.06","0.03","837.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C38 H32 Cl2 N2 O10 -","2","1","","Báthori, Nikoletta B.; Oliver, Clive L.","Polymorphism of the β,γ-hydroxylactone derived from indomethacin","CrystEngComm","2012","14","24","8361","","10.1039/c2ce26188j","","","0.71073","MoKα","","0.0395","0.0331","","","0.076","0.0802","","","","","","1.047","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208814","20.925","0.002","20.925","0.002","20.61","0.002","90","","90","","120","","7815.2","1.3","298","2","298","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C258 H324 Cl18 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0519","0.0373","","","0.0799","0.0858","","","","","","1.033","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208815","20.6498","0.0008","20.6498","0.0008","20.3322","0.0013","90","","90","","120","","7508.4","0.6","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C43 H57 Cu4 N10 O3 S4 -","- C43 H57 Cu4 N10 O3 S4 -","- C258 H342 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0592","0.0358","","","0.0722","0.0816","","","","","","1.029","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208816","8.3136","0.0019","14.719","0.004","11.526","0.003","90","","90.807","0.005","90","","1410.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O9 Tb -","- C11 H11 N3 O9 Tb -","- C44 H44 N12 O36 Tb4 -","4","1","","Yu, Yang; Ma, Jian-Ping; Dong, Yu-Bin","Luminescent humidity sensors based on porous Ln3±MOFs","CrystEngComm","2012","14","21","7157","","10.1039/c2ce26210j","","","0.71073","MoKα","","0.0886","0.0608","","","0.1072","0.1172","","","","","","1.056","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208817","8.2862","0.0017","14.865","0.003","11.559","0.002","90","","90.87","0.003","90","","1423.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Eu N3 O9 -","- C11 H11 Eu N3 O9 -","- C44 H44 Eu4 N12 O36 -","4","1","","Yu, Yang; Ma, Jian-Ping; Dong, Yu-Bin","Luminescent humidity sensors based on porous Ln3±MOFs","CrystEngComm","2012","14","21","7157","","10.1039/c2ce26210j","","","0.71073","MoKα","","0.0498","0.0402","","","0.0782","0.0818","","","","","","1.057","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208818","6.7956","0.0015","11.993","0.003","21.79","0.005","90","","90","","90","","1775.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl (2R,3S)-2-hydroxy-3-phenyl-3-(((5-phenyl-1,3,4- oxadiazol-2-yl)-carbonyl)amino)-propanoate","methyl (2R,3S)-2-hydroxy-3-phenyl-3-{[(5-phenyl-1,3,4-oxadiazol- 2-yl)-carbonyl]amino}-propanoate","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Wang, Li; Zhang, Zhenfeng; Wang, Yibo; Wu, Yanbo; Zhang, Shengyong","O⋯π and O‒H⋯π interactions: the first disclosure of the nature of 1,3,4-oxadiazol⋯aromatic contacts","CrystEngComm","2012","14","23","7877","","10.1039/c2ce26224j","","","0.71073","MoKα","","0.0269","0.0246","","","0.0615","0.0638","","","","","","1.008","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208819","16.459","0.001","4.1097","0.0005","18.072","0.001","90","","93.72","0.01","90","","1219.84","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H8 Cl2 N2 O Pb -","- C10 H8 Cl2 N2 O Pb -","- C40 H32 Cl8 N8 O4 Pb4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0585","0.0381","","","0.0686","0.0745","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208820","16.847","0.001","4.0866","0.0005","35.249","0.003","90","","97.55","0.01","90","","2405.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl2 N6 O8 Pb -","- C20 H18 Cl2 N6 O8 Pb -","- C80 H72 Cl8 N24 O32 Pb4 -","4","0.5","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0856","0.0399","","","0.0617","0.0685","","","","","","1.039","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208821","18.14","0.003","5.04","0.0009","19.369","0.003","90","","90","","90","","1770.8","0.5","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O S -","- C22 H18 N2 O S -","- C88 H72 N8 O4 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.0757","0.0548","","","0.1413","0.1638","","","","","","1.136","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208822","8.8488","0.0015","21.149","0.004","10.0801","0.0017","90","","98.541","0.004","90","","1865.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.1075","0.0571","","","0.1463","0.1747","","","","","","1.027","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208823","10.511","0.002","34.171","0.008","11.778","0.003","90","","113.517","0.005","90","","3879","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","2","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.1043","0.0504","","","0.1066","0.1279","","","","","","1.003","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208824","9.993","0.0006","9.7316","0.0004","25.6891","0.0012","90","","93.021","0.004","90","","2494.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 O -","- C37 H22 O -","- C148 H88 O4 -","4","1","","Dong, Shou-Cheng; Gao, Chun-Hong; Zhang, Zhao-Hu; Jiang, Zuo-Quan; Lee, Shuit-Tong; Liao, Liang-Sheng","New dibenzofuran/spirobifluorene hybrids as thermally stable host materials for efficient phosphorescent organic light-emitting diodes with low efficiency roll-off.","Physical chemistry chemical physics : PCCP","2012","14","41","14224","14228","10.1039/c2cp41535f","","","0.7107","MoKα","","0.1219","0.0624","","","0.152","0.1922","","","","","","0.939","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208825","14.992","0.002","6.4333","0.0007","13.61","0.002","90","","107.306","0.012","90","","1253.2","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C32 H72 N16 O24 -","4","1","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","","0.71075","MoKα","","0.0566","0.0443","","","0.1111","0.118","","","","","","1.077","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208826","7.74","0.005","6.44","0.005","13.54","0.005","90","","110.88","0.01","90","","630.6","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) & oxalic acid","bis(N,N-Dimethylurea) ethanedioc acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.131","0.0706","","","0.1146","0.1224","","","","","","1.532","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208827","7.77","0.005","6.44","0.005","13.6","0.005","90","","111.14","0.01","90","","634.7","0.7","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1244","0.0684","","","0.1162","0.1231","","","","","","1.681","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208828","7.7944","0.0003","6.4482","0.0002","13.655","0.0006","90","","111.407","0.002","90","","638.95","0.04","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","","0.71073","MoKα","","0.0577","0.0511","","","0.1498","0.1566","","","","","","1.124","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208829","7.79","0.005","6.45","0.005","13.66","0.005","90","","111.41","0.01","90","","639","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1303","0.0672","","","0.1145","0.1234","","","","","","1.668","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208830","7.82","0.005","6.45","0.005","13.71","0.005","90","","111.66","0.01","90","","642.7","0.7","225","","225","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1302","0.0649","","","0.1147","0.1248","","","","","","1.695","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208831","7.84","0.005","6.46","0.005","13.77","0.005","90","","111.94","0.01","90","","646.9","0.7","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1024","0.0584","","","0.1036","0.1127","","","","","","1.719","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208832","7.87","0.005","6.47","0.005","13.83","0.005","90","","112.2","0.01","90","","652","0.7","275","","275","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1107","0.0578","","","0.0974","0.1071","","","","","","1.573","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208833","7.8936","0.0004","6.4695","0.0003","13.8871","0.0007","90","","112.474","0.003","90","","655.32","0.06","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","","0.71073","MoKα","","0.0684","0.0521","","","0.1663","0.1795","","","","","","1.118","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208834","7.89","0.005","6.47","0.005","13.89","0.005","90","","112.47","0.01","90","","655.2","0.7","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.0962","0.0567","","","0.0969","0.1044","","","","","","1.591","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208835","8.6319","0.0008","10.0114","0.0009","22.265","0.002","90","","96.953","0.002","90","","1909.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O4 S6 -","- C15 H13 N O4 S6 -","- C60 H52 N4 O16 S24 -","4","1","","Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases.","Physical chemistry chemical physics : PCCP","2012","14","47","16229","16235","10.1039/c2cp42836a","","","0.71075","MoKα","","0.0495","0.0421","","","0.0973","0.1026","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208836","17.14","0.003","7.7891","0.0012","17.338","0.003","90","","102.363","0.004","90","","2261","0.7","223","2","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 N2 O4 S6 -","- C20 H16 N2 O4 S6 -","- C80 H64 N8 O16 S24 -","4","1","","Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases.","Physical chemistry chemical physics : PCCP","2012","14","47","16229","16235","10.1039/c2cp42836a","","","0.71075","MoKα","","0.0997","0.0748","","","0.1313","0.1436","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208837","10.6334","0.0007","13.2801","0.0009","13.5988","0.0008","77.855","0.008","78.677","0.008","79.177","0.007","1819.2","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O8 S12 -","- C30 H24 N2 O8 S12 -","- C60 H48 N4 O16 S24 -","2","1","","Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases.","Physical chemistry chemical physics : PCCP","2012","14","47","16229","16235","10.1039/c2cp42836a","","","0.71075","MoKα","","0.128","0.0879","","","0.2062","0.236","","","","","","1.121","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208838","9.9045","0.0007","11.5287","0.0008","9.9746","0.0007","90","","112.701","0.004","90","","1050.73","0.13","260","","260","","","","","","","","Wesley Henderson, USNA","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N2 O3 -","- C2 H8 N2 O3 -","- C16 H64 N16 O24 -","8","2","","Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon","Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","46","16041","16046","10.1039/c2cp43079g","","","0.71073","MoKα","","0.0764","0.0444","","0.1215","0.1044","0.1215","","","","","","0.9793","","","","has coordinates","287933","2023-12-01","14:27:53",""
"7208839","9.8294","0.0003","11.4347","0.0004","9.8981","0.0003","90","","113.007","0.002","90","","1024.02","0.06","150","","150","","","","","","","","Wesley Henderson, USNA","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N2 O3 -","- C2 H8 N2 O3 -","- C16 H64 N16 O24 -","8","2","","Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon","Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","46","16041","16046","10.1039/c2cp43079g","","","0.71073","MoKα","","0.0443","0.034","","0.091","0.0851","0.091","","","","","","1.0144","","","","has coordinates","287933","2023-12-01","14:27:53",""
"7208840","9.7872","0.0003","11.4041","0.0004","9.8847","0.0003","90","","113.11","0.002","90","","1014.74","0.06","100","","100","","","","","","","","Wesley Henderson, USNA","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N2 O3 -","- C2 H8 N2 O3 -","- C16 H64 N16 O24 -","8","2","","Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon","Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","46","16041","16046","10.1039/c2cp43079g","","","0.71073","MoKα","","0.0528","0.0355","","0.0938","0.0838","0.0938","","","","","","0.9832","","","","has coordinates","287933","2023-12-01","14:27:53",""
"7208841","10.788","0.0005","16.5308","0.0008","7.1104","0.0003","90","","106.861","0.001","90","","1213.52","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O5 S -","- C11 H10 N2 O5 S -","- C44 H40 N8 O20 S4 -","4","1","","Paladhi, Sushovan; Chauhan, Ajay; Dhara, Kalyan; Tiwari, Ashwani Kumar; Dash, Jyotirmayee","An uncatalyzed aldol reaction of thiazolidinediones","Green Chemistry","2012","14","11","2990","","10.1039/c2gc35819k","","","0.71073","MoKα","","0.0328","0.029","","","0.0754","0.0787","","","","","","1.069","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208842","20.804","0.002","11.9934","0.0014","10.9684","0.0011","90","","102.666","0.002","90","","2670.1","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 N2 O4 S2 -","- C8 H6 Br2 N2 O4 S2 -","- C64 H48 Br16 N16 O32 S16 -","8","2","","Paladhi, Sushovan; Chauhan, Ajay; Dhara, Kalyan; Tiwari, Ashwani Kumar; Dash, Jyotirmayee","An uncatalyzed aldol reaction of thiazolidinediones","Green Chemistry","2012","14","11","2990","","10.1039/c2gc35819k","","","0.71073","MoKα","","0.0913","0.084","","","0.2092","0.2132","","","","","","1.149","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208843","17.188","0.005","14.671","0.005","17.44","0.005","90","0.005","93.406","0.005","90","0.005","4390","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C216 H176 N16 O32 -","8","2","","Ghosh, Partha Pratim; Pal, Gargi; Paul, Sanjay; Das, Asish R.","Design and synthesis of benzylpyrazolyl coumarin derivatives via a four-component reaction in water: investigation of the weak interactions accumulating in the crystal structure of a signified compound","Green Chemistry","2012","14","10","2691","","10.1039/c2gc36021g","","","0.71073","MoKα","","0.167","0.129","","","0.3723","0.3982","","","","","","1.076","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208844","10.017","0.005","7.789","0.004","27.003","0.015","90","","95.507","0.008","90","","2097.1","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-3-(2,4-Dichlorophenyl)-2-(4-fluorobenzoyl)- 5-methyl-3,5-dihydrofuro-[3,2-c]quinolin-4(2H)-one","trans-3-(2,4-Dichlorophenyl)-2-(4-fluorobenzoyl)- 5-methyl-3,5-dihydrofuro-[3,2-c]quinolin-4(2H)-one","","- C25 H16 Cl2 F N O3 -","- C25 H16 Cl2 F N O3 -","- C100 H64 Cl8 F4 N4 O12 -","4","1","","Indumathi, Sethuraman; Perumal, Subbu; Anbananthan, Natarajan","A facile eco-friendly three-component protocol for the regio- and stereoselective synthesis of functionalized trans-dihydrofuro[3,2-c]-quinolin-4(2H)-ones","Green Chemistry","2012","14","12","3361","","10.1039/c2gc36040c","","","0.71073","MoKα","","0.1226","0.079","","","0.1823","0.2072","","","","","","1.09","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208845","10.8016","0.0004","23.0207","0.0005","9.9117","0.0003","90","","111.566","0.004","90","","2292.11","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aS,3cS,6aR,7S,9S,9aR)-methyl 2,5-diethyl-7,9-di(furan-2-yl)- 1,3,4,6-tetraoxododecahydro-1H-dipyrrolo[3,4-a:3',4'-f] pyrrolizine-3b-carboxylate","","- C25 H25 N3 O8 -","- C25 H25 N3 O8 -","- C100 H100 N12 O32 -","4","1","","Lu, Qing; Song, Gonghua; Jasinski, Jerry P.; Keeley, Amanda C.; Zhang, Wei","One-pot double [3 + 2] cycloaddition for diastereoselective synthesis of tetracyclic pyrrolidine compounds","Green Chemistry","2012","14","11","3010","","10.1039/c2gc36066g","","","1.54178","CuKα","","0.0756","0.0537","","","0.1484","0.1588","","","","","","1.067","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208846","11.5934","0.0004","23.9267","0.0007","12.5474","0.0005","90","","116.043","0.004","90","","3127.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N4 O8 S -","- C28 H28 Cl2 N4 O8 S -","- C112 H112 Cl8 N16 O32 S4 -","4","1","","Lu, Qing; Song, Gonghua; Jasinski, Jerry P.; Keeley, Amanda C.; Zhang, Wei","One-pot double [3 + 2] cycloaddition for diastereoselective synthesis of tetracyclic pyrrolidine compounds","Green Chemistry","2012","14","11","3010","","10.1039/c2gc36066g","","","1.5418","CuKα","","0.0608","0.0526","","","0.1436","0.151","","","","","","1.045","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208847","7.2406","0.0014","6.3111","0.0011","16.211","0.003","90","","98.719","0.007","90","","732.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 I N4 O2 -","- C13 H7 F4 I N4 O2 -","- C26 H14 F8 I2 N8 O4 -","2","1","","Chen, Hao; Ni, Ben-Bo; Gao, Fan; Ma, Yuguo","Pressure-accelerated copper-free cycloaddition of azide and alkyne groups pre-organized in the crystalline state at room temperature","Green Chemistry","2012","14","10","2703","","10.1039/c2gc36069a","","","0.71073","MoKα","","0.0265","0.0261","","","0.0618","0.0621","","","","","","1.051","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208848","5.7206","0.0011","10.897","0.002","12.306","0.003","86.6","0.03","84.86","0.03","80.87","0.03","753.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 F4 N4 O3 -","- C15 H10 F4 N4 O3 -","- C30 H20 F8 N8 O6 -","2","1","","Chen, Hao; Ni, Ben-Bo; Gao, Fan; Ma, Yuguo","Pressure-accelerated copper-free cycloaddition of azide and alkyne groups pre-organized in the crystalline state at room temperature","Green Chemistry","2012","14","10","2703","","10.1039/c2gc36069a","","","0.71073","MoKα","","0.0604","0.0532","","","0.1303","0.136","","","","","","1.098","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208849","9.5984","0.0004","9.3308","0.0007","14.7806","0.0012","90","","100.934","0.004","90","","1299.73","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F N O2 -","- C16 H14 F N O2 -","- C64 H56 F4 N4 O8 -","4","1","","Griesbeck, Axel G.; Nazarov, Nestor; Neudörfl, Jörg M.; Heffen, Maria","Intermolecular photodecarboxylation of electron-deficient substrates by phthalimides in water: efficiency, selectivity and online monitoring","Green Chemistry","2012","14","11","3004","","10.1039/c2gc36089f","","","0.71073","MoKα","","0.0723","0.0407","","","0.087","0.0951","","","","","","0.998","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208850","15.6286","0.001","8.625","0.0007","10.8601","0.0005","90","","96.661","0.004","90","","1454.02","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Griesbeck, Axel G.; Nazarov, Nestor; Neudörfl, Jörg M.; Heffen, Maria","Intermolecular photodecarboxylation of electron-deficient substrates by phthalimides in water: efficiency, selectivity and online monitoring","Green Chemistry","2012","14","11","3004","","10.1039/c2gc36089f","","","0.71073","MoKα","","0.0673","0.0406","","","0.0946","0.1025","","","","","","1.049","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208851","8.5482","0.001","10.7471","0.0012","9.6662","0.0011","90","","90","","90","","888.02","0.18","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Zhang, Chun; Zhang, Liangren; Jiao, Ning","Catalyst free approach to benzimidazoles using air as the oxidant at room temperature","Green Chemistry","2012","14","12","3273","","10.1039/c2gc36416f","","","0.71073","MoKα","","0.0583","0.0475","","","0.1148","0.1237","","","","","","1.073","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208852","7.55","","10.43","","10.85","","90","","69.93","","90","","802.515","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetracalcium difluoride disilicate","","- Ca4 F2 O7 Si2 -","- Ca16 F8 O28 Si8 -","- Ca16 F8 O28 Si8 -","","","","Huang, Chien-Hao; Chan, Ting-Shan; Liu, Wei-Ren; Wang, De-Yin; Chiu, Yi-Chen; Yeh, Yao-Tsung; Chen, Teng-Ming","Crystal structure of blue‒white‒yellow color-tunable Ca4Si2O7F2:Eu2+,Mn2+ phosphor and investigation of color tunability through energy transfer for single-phase white-light near-ultraviolet LEDs","Journal of Materials Chemistry","2012","22","38","20210","","10.1039/c2jm33160h","","","","","","","","","","","","","","","","","","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208853","5.1756","0.0002","16.4142","0.0006","17.0191","0.0006","84.227","0.003","85.377","0.003","82.2","0.004","1421.9","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H66 S12 -","- C56 H66 S12 -","- C56 H66 S12 -","1","0.5","","Gentili, Denis; Di Maria, Francesca; Liscio, Fabiola; Ferlauto, Laura; Leonardi, Francesca; Maini, Lucia; Gazzano, Massimo; Milita, Silvia; Barbarella, Giovanna; Cavallini, Massimiliano","Targeting ordered oligothiophene fibers with enhanced functional properties by interplay of self-assembly and wet lithography","Journal of Materials Chemistry","2012","22","39","20852","","10.1039/c2jm33998f","","","0.71073","MoKα","","0.1301","0.0926","","","0.1635","0.1787","","","","","","1.227","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208854","6.4194","0.0013","8.268","0.0017","15.213","0.003","90","","92.69","0.03","90","","806.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C36 H28 N8 O8 -","2","0.5","","Qu, Songnan; Lu, Qipeng; Wu, Shaohang; Wang, Lijun; Liu, Xingyuan","Two dimensional directed π‒π interactions in a linear shaped bi-1,3,4-oxadiazole derivative to achieve organic single crystal with highly polarized fluorescence and amplified spontaneous emissions","Journal of Materials Chemistry","2012","22","47","24605","","10.1039/c2jm35002e","","","0.71073","MoKα","","0.058","0.0368","","","0.0916","0.0983","","","","","","1.087","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208855","8.0873","0.0016","8.1278","0.0016","9.3175","0.0019","107.15","0.03","105.03","0.03","97.99","0.03","549.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","1","0.5","","Qu, Songnan; Lu, Qipeng; Wu, Shaohang; Wang, Lijun; Liu, Xingyuan","Two dimensional directed π‒π interactions in a linear shaped bi-1,3,4-oxadiazole derivative to achieve organic single crystal with highly polarized fluorescence and amplified spontaneous emissions","Journal of Materials Chemistry","2012","22","47","24605","","10.1039/c2jm35002e","","","0.71073","MoKα","","0.0478","0.0386","","","0.1226","0.127","","","","","","1.079","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7214621","11.2689","0.0005","11.2689","0.0005","29.897","0.002","90","","90","","90","","3796.6","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H20 N4 Ni2 O14 -","- C36 H20 N4 Ni2 O14 -","- C144 H80 N16 Ni8 O56 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.099","0.0892","","","0.2414","0.249","","","","","","1.108","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214622","21.412","0.013","9.512","0.005","29.262","0.013","90","","126.59","0.03","90","","4785","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H64 Cu4 N8 O40 -","- C104 H64 Cu4 N8 O40 -","- C208 H128 Cu8 N16 O80 -","2","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.0912","0.0817","","","0.227","0.2385","","","","","","1.09","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214623","29.6634","0.0005","9.0656","0.0002","24.3568","0.0005","90","","100.831","0.002","90","","6433.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H38 Co3 N6 O30 -","- C62 H38 Co3 N6 O30 -","- C248 H152 Co12 N24 O120 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.0471","0.0349","","","0.1091","0.113","","","","","","1.043","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214624","14.44","0.0012","20.3899","0.0018","19.5001","0.0017","90","","108.521","0.002","90","","5444.1","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H62 F2 N6 O23 Zn2 -","- C54 H62.002 F2 N6 O23 Zn2 -","- C216 H248.008 F8 N24 O92 Zn8 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.168","0.083","","","0.2055","0.2534","","","","","","0.994","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214625","9.4178","0.0003","15.4572","0.0006","18.2451","0.0009","95.399","0.004","91.352","0.004","90.312","0.003","2643.39","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 N4 O25.5 Zn4 -","- C36 H55 N4 O25.5 Zn4 -","- C72 H110 N8 O51 Zn8 -","2","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.079","0.0526","","","0.1515","0.1619","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214626","15.5337","0.0004","9.8251","0.0003","16.7644","0.0005","90","","90","","90","","2558.59","0.13","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H36 Co2 N2 O14 -","- C18 Co2 N2 O14 -","- C72 Co8 N8 O56 -","4","","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0487","0.0417","","","0.1309","0.1368","","","","","","1.123","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214627","9.69","0.0006","14.4331","0.0008","29.8442","0.0008","90","","90","","90","","4173.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H22 Mn2 N2 O17 P2 -","- C9 H22 Mn2 N2 O17 P2 -","- C72 H176 Mn16 N16 O136 P16 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0486","0.0382","","","0.0859","0.0902","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214628","13.884","0.003","12.146","0.002","16.327","0.003","90","","114.5","0.03","90","","2505.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12.8 N2 O7.4 Zn -","- C8 H12 N2 O7.4 Zn -","- C64 H96 N16 O59.2 Zn8 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0441","0.0362","","","0.0995","0.1041","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214629","11.6964","0.0008","17.7522","0.0004","22.794","0.0012","90","","90","","90","","4732.9","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N1-hexylthymine","1-hexyl-5-methylpyrimidine-2,4(1H,3H)-dione","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C176 H288 N32 O32 -","16","2","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.1085","0.0599","","","0.1795","0.1982","","","","","","1.05","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214630","6.685","0.001","8.004","0.003","12.907","0.006","89.62","0.05","84.5","0.03","81.14","0.03","679.2","0.4","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H18 Br N3 O -","- C10 H18 Br N3 O -","- C20 H36 Br2 N6 O2 -","2","1","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","x-ray","0.71073","MoKα","","0.1309","0.0547","","","0.1126","0.1344","","","","","","1.016","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214631","7.4416","0.0002","28.1838","0.0011","25.9487","0.0006","90","","91.616","0.003","90","","5440.1","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H70 Cl6 Hg2 N12 O4 -","- C40 H70 Cl6 Hg2 N12 O4 -","- C160 H280 Cl24 Hg8 N48 O16 -","4","1","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.0896","0.052","","","0.1555","0.1652","","","","","","0.972","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214632","22.18","0.003","22.18","0.003","43.666","0.009","90","","90","","90","","21482","6","291","2","291","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C201 H288 Cd7 N18 O83 -","- C172 H192 Cd7 N6 O72 -","- C688 H768 Cd28 N24 O288 -","4","0.25","","Xu, Heng; Bao, Weiwei; Xu, Yan; Liu, Xiaolan; Shen, Xuan; Zhu, Dunru","An unprecedented 3D/3D hetero-interpenetrated MOF built from two different nodes, chemical composition, and topology of networks","CrystEngComm","2012","14","18","5720","","10.1039/c2ce25739d","","","0.71073","MoKα","","0.0588","0.0514","","","0.1225","0.1262","","","","","","1.059","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214633","34.7123","0.0006","6.19971","0.00011","7.24791","0.00013","90","","91.5454","0.0007","90","","1559.23","0.05","213.1","","213.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0395","","","","0.1172","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214634","38.2177","0.0007","6.1954","0.00011","7.19732","0.00013","90","","92.0811","0.0007","90","","1703.01","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0387","","","","0.1096","","","","","","1.207","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214635","37.4749","0.0007","6.19581","0.00011","7.19661","0.00013","90","","92.8197","0.0008","90","","1668.94","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C76 H72 Cl4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.042","","","","0.1111","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214636","35.5961","0.0009","6.21689","0.00018","7.1819","0.0002","90","","92.5391","0.0014","90","","1587.77","0.08","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 F N O2 -","- C19 H18 F N O2 -","- C76 H72 F4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0619","","","","0.1914","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214637","5.96084","0.00015","12.8706","0.0002","22.8019","0.0004","90","","90","","90","","1749.35","0.06","213.1","","213.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O2 -","- C19 H18 I N O2 -","- C76 H72 I4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0625","","","","0.1574","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214638","4.4201","0.0004","4.4201","0.0002","37.487","0.003","90","0.005","90","0.006","120","0.007","634.27","0.09","291.4","","291.4","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B6 Be12 F12 K6 O18 -","6","0.166667","","Sang, Yuanhua; Yu, Dehong; Avdeev, Maxim; Piltz, Ross; Sharma, Neeraj; Ye, Ning; Liu, Hong; Wang, Jiyang","X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2","CrystEngComm","2012","14","18","6079","","10.1039/c2ce25828e","","","0.7107","MoKα","","0.0366","0.0312","","","0.0411","0.0417","","","","2.5","2.5","2.39","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214639","7.3729","0.0004","11.2139","0.0004","20.1034","0.0008","90","","90","","90","","1662.13","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0611","0.0449","","","0.0824","0.0892","","","","","","0.974","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214640","7.3456","0.0005","11.2047","0.0008","20.0815","0.0015","90","","90","","90","","1652.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0297","0.0281","","","0.0718","0.0727","","","","","","1.091","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214641","9.126","0.005","13.963","0.005","14.834","0.005","90","","103.643","0.005","90","","1836.9","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cu N3 O3 -","- C18 H23 Cu N3 O3 -","- C72 H92 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0483","0.0336","","","0.0904","0.0945","","","","","","1.062","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214642","23.334","0.016","9.933","0.005","8.938","0.005","90","","112.509","0.007","90","","1914","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O10 P2 Zn2 -","- C14 H18 N2 O10 P2 Zn2 -","- C56 H72 N8 O40 P8 Zn8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene","CrystEngComm","2012","14","18","5761","","10.1039/c2ce25608h","","","0.71073","MoKα","","0.0348","0.0305","","","0.0758","0.0782","","","","","","1.088","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214643","23.255","0.005","9.9714","0.0017","8.808","0.0018","90","","112.174","0.009","90","","1891.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co2 N2 O10 P2 -","- C14 H18 Co2 N2 O10 P2 -","- C56 H72 Co8 N8 O40 P8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene","CrystEngComm","2012","14","18","5761","","10.1039/c2ce25608h","","","0.71073","MoKα","","0.0611","0.0465","","","0.1421","0.1833","","","","","","1.201","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214644","14.0511","0.0008","14.0511","0.0008","22.6054","0.0016","90","","90","","120","","3865.1","0.4","130","2","130","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C114.96 H129.96 B12 Cu12 F48 N39 O0.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0273","0.0272","","","0.0722","0.0723","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214645","14.448","0.014","14.448","0.014","21.25","0.02","90","","90","","120","","3842","6","119","2","119","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C108.99 H126 Cl12 Cu12 N36 O48.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0574","0.0494","","","0.1252","0.1293","","","","","","1.122","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214646","14.3797","0.0015","14.3797","0.0015","23.083","0.003","90","","90","","120","","4133.5","0.8","120","2","120","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C37 H30 Cu4 F24 N14 O3 P4 -","- C37 H35.94 Cu4 F24 N14 O3 P4 -","- C111 H107.82 Cu12 F72 N42 O9 P12 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0639","0.0567","","","0.1198","0.1231","","","","","","1.076","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214647","12.9479","0.0009","12.9479","0.0009","40.274","0.003","90","","90","","90","","6751.9","0.8","120","1","120","1","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C48 H56 B4 Cu4 F16 N16 O8 -","- C48 H44 B4 Cu4 F16 N16 O8 -","- C192 H176 B16 Cu16 F64 N64 O32 -","4","0.25","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.71073","MoKα","","0.0442","0.042","","","0.1157","0.1179","","","","","","1.046","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214648","21.3405","0.0005","30.1083","0.0006","30.8273","0.0007","90","","90","","90","","19807.3","0.8","150","2","150","2","","","","","","","","7","I m m m","-I 2 2","71","((CH3)4N)4 ((Co4Cl(C40H44O4S4))4 (C8H4O4)8","","","- C240 H256 Cl4 Co16 N4 O48 S16 -","- C224 H208 Cl4 Co16 O48 S16 -","- C448 H416 Cl8 Co32 O96 S32 -","2","0.125","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.1248","0.0797","","","0.2152","0.2458","","","","","","1.017","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214649","30.1467","0.0013","30.1467","0.0013","21.2135","0.0013","90","","90","","90","","19279.3","1.7","100","2","100","2","","","","","","","","7","I 4/m m m","-I 4 2","139","((CH3)4N)4 ((Co4Cl(C40H44O4S4))4 (C7NH3O4)8","","","- C232 H248 Cl4 Co16 N12 O48 S16 -","- C216 H200 Cl4 Co16 N8 O48 S16 -","- C432 H400 Cl8 Co32 N16 O96 S32 -","2","0.0625","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.0823","0.0509","","","0.1235","0.1348","","","","","","1.06","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214650","11.6208","0.0008","17.0306","0.0011","19.802","0.0013","97.985","0.001","99.959","0.001","101.232","0.001","3725.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(((Co4Cl2(H2O)2(C40H44O4S4))((Co4Cl2(H2O)2 (C40H45O4S4))Cl) (C8H4O4)2","","","- C96 H105 Cl5 Co8 O20 S8 -","- C96 H96 Cl5 Co8 O20 S8 -","- C96 H96 Cl5 Co8 O20 S8 -","1","0.5","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.0856","0.0491","","","0.1124","0.1224","","","","","","0.879","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214651","8.8952","0.0008","12.8953","0.0012","11.1052","0.001","90","","96.686","0.002","90","","1265.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C32 H40 F24 N12 O8 P4 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0494","0.0356","","","0.0887","0.0954","","","","","","1.037","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214652","11.6815","0.0004","12.4142","0.0005","18.5652","0.0007","90","","100.784","0.001","90","","2644.71","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 F3 N3 O5 S -","- C9 H10 F3 N3 O5 S -","- C72 H80 F24 N24 O40 S8 -","8","2","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0483","0.035","","","0.0816","0.088","","","","","","1.024","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214653","9.8176","0.0005","17.2416","0.0007","30.5102","0.0014","90","","90","","90","","5164.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C256 H240 B8 N24 O16 -","8","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0663","0.0438","","","0.1281","0.1697","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214654","5.036","0.0001","28.8208","0.0007","6.9016","0.0002","90","","109.029","0.001","90","","946.97","0.04","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0487","0.0464","","","0.1194","0.1331","","","","","","1.115","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214655","29.95","0.012","4.995","0.002","22.828","0.01","90","","90","","90","","3415","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C144 H120 Cl8 N16 O16 S8 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0847","0.0658","","","0.1599","0.2089","","","","","","1.12","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214656","8.052","0.0016","10.412","0.002","10.455","0.002","85.62","0.03","83.17","0.03","80.56","0.03","857.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C36 H30 Cl2 N4 O4 S2 -","2","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0487","0.039","","","0.128","0.1508","","","","","","0.938","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214657","20.9182","0.0015","12.4873","0.0008","12.8222","0.0008","90","","90","","90","","3349.3","0.4","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Cl N2 O2.5 S -","- C18 H16 Cl N2 O2.4975 S -","- C144 H128 Cl8 N16 O19.98 S8 -","8","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0417","0.0364","","","0.0864","0.0888","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214658","10.889","0.002","12.359","0.003","12.803","0.003","90","","93.496","0.007","90","","1719.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O2.69 S -","- C18 H15 Cl N2 O2.694 S -","- C72 H60 Cl4 N8 O10.776 S4 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0649","0.047","","","0.1076","0.1155","","","","","","1.057","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214659","16.3642","0.0006","17.0748","0.0006","20.623","0.0007","90","","90.226","0.002","90","","5762.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 N5 O11 S4 Zn2 -","- C57 H59 N5 O11 S4 Zn2 -","- C228 H236 N20 O44 S16 Zn8 -","4","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.0733","0.0525","","","0.1326","0.1425","","","","","","1.101","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214660","7.503","0.003","18.281","0.006","19.375","0.006","90","","100.47","0.015","90","","2613.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 N O4 S2 Zn -","- C24 H35 N O4 S2 Zn -","- C96 H140 N4 O16 S8 Zn4 -","4","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.1697","0.0638","","","0.1349","0.1788","","","","","","0.952","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214661","17.1764","0.0008","22.0141","0.0012","9.9312","0.0005","90","","96.535","0.002","90","","3730.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 N O4 S2 Zn -","- C16 H9 N O4 S2 Zn -","- C128 H72 N8 O32 S16 Zn8 -","8","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71073","MoKα","","0.0772","0.042","","","0.101","0.1102","","","","","","0.962","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214662","8.6855","0.0015","12.7109","0.0018","18.183","0.003","91.81","0.008","102.91","0.009","106.455","0.008","1866.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N4 O6 S2 Zn -","- C40 H36 N4 O6 S2 Zn -","- C80 H72 N8 O12 S4 Zn2 -","2","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71073","MoKα","","0.1068","0.0515","","","0.1012","0.1314","","","","","","1.017","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214663","31.138","0.002","39.627","0.002","22.721","0.002","90","","121.737","0.002","90","","23843","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C201 H257 N15 O32 S12 Zn6 -","- C200.475 H257 N15 O32 S12 Zn6 -","- C801.9 H1028 N60 O128 S48 Zn24 -","4","0.5","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.0876","0.0542","","","0.1488","0.1611","","","","","","1.078","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214664","12.03","0.02","12.18","0.02","15.34","0.03","97.25","0.03","102.28","0.03","110.37","0.03","2009","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 Cu2 Mo12 N12 O54 Si -","- C42 H42 Cu2 Mo12 N12 O54 Si -","- C42 H42 Cu2 Mo12 N12 O54 Si -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0907","0.0639","","","0.1561","0.1745","","","","","","1.071","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214665","27.702","0.003","21.936","0.003","14.7045","0.0015","90","","91.589","0.002","90","","8932.1","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 Cu2 Mo12 N12 O61 Si -","- C48 H46 Cu2 Mo12 N12 O61 Si -","- C192 H184 Cu8 Mo48 N48 O244 Si4 -","4","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.1128","0.0672","","","0.1668","0.1841","","","","","","1.08","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214666","27.885","0.003","21.858","0.003","14.8631","0.0017","90","","90.45","0.002","90","","9058.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H78 Cu2 N12 O58 Si W12 -","- C48 H46 Cu2 N12 O58 Si W12 -","- C192 H184 Cu8 N48 O232 Si4 W48 -","4","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0901","0.0488","","","0.1109","0.1226","","","","","","1.011","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214667","11.3637","0.0009","12.9558","0.0011","16.8671","0.0014","100.639","0.001","108.695","0.001","91.221","0.001","2303.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cu2 Mo12 N12 O56 Si -","- C54 H66 Cu2 Mo12 N12 O56 Si -","- C54 H66 Cu2 Mo12 N12 O56 Si -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0431","0.0396","","","0.1024","0.1047","","","","","","1.097","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214668","11.38","0.002","13.015","0.002","16.866","0.003","101.322","0.002","108.603","0.002","90.544","0.002","2314.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cu2 N12 O56 Si W12 -","- C54 H66 Cu2 N12 O56 Si W12 -","- C54 H66 Cu2 N12 O56 Si W12 -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0552","0.0405","","","0.0987","0.1078","","","","","","1.011","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214669","9.851","0.004","14.822","0.006","20.233","0.009","73.448","0.005","82.987","0.005","77.721","0.005","2761","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 N12 O39 Sm4 -","- C72 H48 Br12 Cu12 N12 O39 Sm4 -","- C72 H48 Br12 Cu12 N12 O39 Sm4 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.0763","0.0536","","","0.1271","0.1395","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214670","9.8257","0.0014","14.79","0.002","20.182","0.003","73.386","0.002","82.825","0.002","77.75","0.002","2740","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 Eu4 N12 O39 -","- C72 H48 Br12 Cu12 Eu4 N12 O39 -","- C72 H48 Br12 Cu12 Eu4 N12 O39 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.078","0.0435","","","0.0956","0.1086","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214671","9.8116","0.0007","14.7661","0.001","20.1753","0.0014","73.213","0.001","82.541","0.001","77.748","0.001","2727.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 N12 O39 Tb4 -","- C72 H48 Br12 Cu12 N12 O39 Tb4 -","- C72 H48 Br12 Cu12 N12 O39 Tb4 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.048","0.0338","","","0.0789","0.0848","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214672","9.9176","0.0008","32.983","0.003","12.9111","0.0009","90","","90","","90","","4223.4","0.6","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Gd N2 O10 -","- C13 H8 Br2 Cu2 Gd N2 O10 -","- C104 H64 Br16 Cu16 Gd8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.115","0.062","","","0.1116","0.1268","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214673","9.8237","0.0017","32.797","0.006","12.751","0.002","90","","90","","90","","4108.2","1.2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Er N2 O10 -","- C13 H8 Br2 Cu2 Er N2 O10 -","- C104 H64 Br16 Cu16 Er8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1221","0.0868","","","0.1879","0.2021","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214674","18.034","0.002","15.374","0.002","7.5997","0.001","90","","94.181","0.001","90","","2101.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br3 Cu3 N2 O7 Tb -","- C14 H11 Br3 Cu3 N2 O7 Tb -","- C56 H44 Br12 Cu12 N8 O28 Tb4 -","4","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.08","0.0714","","","0.1971","0.2016","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214675","16.4842","0.0017","9.8497","0.001","17.499","0.0018","90","","100.952","0.002","90","","2789.5","0.5","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H32 Br7 Cu7 Er2 N6 O16 -","- C36 H24 Br7.0002 Cu7 Er2 N6 O16 -","- C72 H48 Br14.0004 Cu14 Er4 N12 O32 -","2","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1029","0.052","","","0.1389","0.1626","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214676","9.5388","0.0011","12.6589","0.0014","21.4","0.002","90","","98.539","0.001","90","","2555.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 Cu3 Gd N3 O9 -","- C18 H12 Cl3 Cu3 Gd N3 O9 -","- C72 H48 Cl12 Cu12 Gd4 N12 O36 -","4","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.0601","0.0433","","","0.0991","0.1084","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214677","6.4001","0.0003","17.2148","0.0009","18.6406","0.0009","90","","90","","90","","2053.75","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cd3 O20 -","- C12 H16 Cd3 O20 -","- C48 H64 Cd12 O80 -","4","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0177","0.0174","","","0.04","0.0402","","","","","","1.058","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214678","13.7005","0.0014","15.6523","0.0016","9.4417","0.001","90","","90","","90","","2024.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H42 Cd6 O39 -","- C16 H42 Cd6 O39 -","- C32 H84 Cd12 O78 -","2","0.5","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0472","0.0431","","","0.0935","0.095","","","","","","1.054","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214679","7.6393","0.0008","11.5121","0.0012","9.0174","0.001","90","","99.305","0.001","90","","782.59","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 Cd2 O16 -","- C8 H16 Cd2 O16 -","- C16 H32 Cd4 O32 -","2","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0197","0.0184","","","0.0414","0.042","","","","","","1.013","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214680","5.3463","0.0002","11.3075","0.0005","19.94","0.001","90","","98.087","0.003","90","","1193.45","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.1098","0.0461","","","0.1014","0.1285","","","","","","0.966","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214681","5.1973","0.0003","7.085","0.0004","16.4114","0.001","90","","101.233","0.004","90","","592.74","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α - picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0524","0.0376","","","0.0896","0.0968","","","","","","1.072","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214682","5.2831","0.0004","11.2901","0.0009","19.8654","0.0017","90","","98.2809","0.0017","90","","1172.55","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0485","0.0361","","","0.0876","0.094","","","","","","1.024","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214683","5.1578","0.0004","7.0249","0.0005","16.2192","0.0011","90","","100.728","0.005","90","","577.4","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α - picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0535","0.0384","","","0.0896","0.0985","","","","","","1.042","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214684","30.4423","0.0012","12.394","0.0004","21.4045","0.0008","90","","128.822","0.001","90","","6292","0.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N26 O28 -","- C54 H80 N26 O28 -","- C216 H320 N104 O112 -","4","0.5","","Sun, Xuzhuo; Li, Bo; Xia, Chunlan; Zhou, Xiaohai; Zhang, Haibo","“Liquid-like” type (COO−)2(H2O)10 anion water clusters in three-dimensional supramolecular structure of cucurbit[6]uril","CrystEngComm","2012","14","24","8525","","10.1039/c2ce25444a","","","0.71073","MoKα","","0.0789","0.0635","","","0.1831","0.1949","","","","","","1.042","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214685","20.512","0.005","9.9435","0.0019","26.994","0.005","90","","101.945","0.011","90","","5387","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co(L)(PIN))-dioxane-H2O","[Co(L)(PIN)]-dioxane-H2O","","- C28 H26 Co N4 O8 -","- C27.998 H25.996 Co N4 O7.999 -","- C223.984 H207.968 Co8 N32 O63.992 -","8","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.0523","0.0435","","","0.1019","0.1058","","","","","","1.052","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214686","20.57","0.004","9.901","0.002","27.211","0.008","90","","108.526","0.009","90","","5255","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co(L)(DPE))-1/2(DPE)","[Co(L)(DPE)]-1/2(DPE)","","- C31 H22 Co N4 O4 -","- C31 H22 Co N4 O4 -","- C248 H176 Co8 N32 O32 -","8","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.0527","0.0438","","","0.1126","0.117","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214687","52.349","0.008","20.421","0.004","9.9111","0.0015","90","","90","","90","","10595","3","200","","200","","","","","","","","","5","F d d 2","F 2 -2d","43","(Co(L)(BPE))-4(H2O)","[Co(L)(BPE)]-4(H2O)","","- C25 H27 Co N3 O8 -","- C25 H19 Co N3 O8.001 -","- C400 H304 Co16 N48 O128.016 -","16","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.037","0.0341","","","0.0879","0.0889","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214688","23.7772","0.0014","6.8025","0.0004","13.4175","0.0008","90","","104.907","0.001","90","","2097.2","0.2","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0698","0.0619","","","0.1558","0.1624","","","","","","1.067","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214689","8.712","0.0007","10.1166","0.0008","10.2478","0.0008","90.241","0.001","107.133","0.001","92.433","0.001","862.21","0.12","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.049","0.0443","","","0.1177","0.1215","","","","","","1.053","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214690","11.1508","0.0007","7.3171","0.0005","24.5176","0.0016","90","","90","","90","","2000.4","0.2","115","2","115","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H18 F6 O4 -","- C23 H18 F6 O4 -","- C92 H72 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0436","0.0383","","","0.0981","0.1017","","","","","","1.051","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214691","11.2984","0.001","7.2275","0.0006","24.573","0.002","90","","90","","90","","2006.6","0.3","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H15 Cl F6 O4 -","- C22 H15 Cl F6 O4 -","- C88 H60 Cl4 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0475","0.0432","","","0.1037","0.1063","","","","","","1.089","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214692","15.209","0.007","15.992","0.008","18.104","0.009","74.828","0.007","74.684","0.007","66.386","0.007","3830","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Al Cl4 Cu9 N24 O44 W12 -","- C144 H96 Al Cl4 Cu9 N24 O44 W12 -","- C144 H96 Al Cl4 Cu9 N24 O44 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1872","0.1136","","","0.2784","0.3242","","","","","","1.047","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214693","15.261","0.003","16.096","0.003","18.167","0.004","74.56","0.03","74.7","0.03","66.06","0.03","3869.5","1.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H112 B Br4 Cu9 N24 O48 W12 -","- C144 H96 B Br4 Cu9 N24 O48 W12 -","- C144 H96 B Br4 Cu9 N24 O48 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.0827","0.0612","","","0.15","0.1608","","","","","","1.088","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214694","15.2519","0.0015","16.1068","0.0016","18.1966","0.0018","74.531","0.001","74.733","0.001","66.33","0.001","3883.5","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H108 Al Br4 Cu9 N24 O46 W12 -","- C144 H96 Al Br4 Cu9 N24 O46 W12 -","- C144 H96 Al Br4 Cu9 N24 O46 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1166","0.0652","","","0.1589","0.1887","","","","","","1.095","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214695","15.2219","0.0015","16.0271","0.0016","18.164","0.0019","74.681","0.002","74.614","0.002","66.136","0.001","3844.9","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Br4 Cu9 N24 O44 P W12 -","- C144 H96 Br4 Cu9 N24 O44 P W12 -","- C144 H96 Br4 Cu9 N24 O44 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1013","0.06","","","0.1583","0.1807","","","","","","1.05","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214696","15.621","0.004","17.01","0.004","18.068","0.005","63.185","0.004","67.472","0.004","76.774","0.004","3948.6","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H102 B Cu8 I3 N24 O43 W12 -","- C144 H96 B Cu8 I3 N24 O43 W12 -","- C144 H96 B Cu8 I3 N24 O43 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1988","0.0884","","","0.1929","0.2553","","","","","","1.05","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214697","15.705","0.003","17.062","0.003","18.009","0.004","63.48","0.03","67.83","0.03","77.24","0.03","3990.7","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H102 Cu8 I3 N24 O43 P W12 -","- C144 H96 Cu8 I3 N24 O43 P W12 -","- C144 H96 Cu8 I3 N24 O43 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1565","0.0925","","","0.2472","0.2993","","","","","","1.053","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214698","14.917","0.003","16.481","0.003","17.669","0.003","84.39","0.03","83.8","0.03","65.04","0.03","3908.6","1.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1443","0.0935","","","0.2589","0.3003","","","","","","1.062","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214699","3.7358","0.0007","38.823","0.008","16.826","0.004","90","","95.27","0.03","90","","2430","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 Cl2 Cu2 N2 -","- C12 H8 Cl2 Cu2 N2 -","- C96 H64 Cl16 Cu16 N16 -","8","2","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1266","0.0551","","","0.1113","0.1459","","","","","","1.082","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214700","10.679","0.002","9.667","0.0019","14.845","0.003","90","","106.97","0.03","90","","1465.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 ethenzamide and salicylic acid cocrystal","cocrystal of ethenzamide with salicylic acid","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0845","0.0731","","","0.1845","0.195","","","","","","1.176","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214701","7.7402","0.0015","8.3181","0.0017","13.216","0.003","76.02","0.03","79.85","0.03","84.69","0.03","811.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1:1 cocrystal of ethenzamide and 2-chloro-4-nitrobenzoic acid","1:1 cocrystal of ethenzamide and 2-chloro-4-nitrobenzoic acid","","- C16 H15 Cl N2 O6 -","- C16 H15 Cl N2 O6 -","- C32 H30 Cl2 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.072","0.0632","","","0.1588","0.166","","","","","","1.176","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214702","13.774","0.003","14.911","0.003","8.0828","0.0016","90","","102.87","0.03","90","","1618.4","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 ethenzamide and vanillic acid cocrystal","cocrystal of ethenzamide with vanillic acid","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C68 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0832","0.0737","","","0.1786","0.1861","","","","","","1.199","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214703","9.057","0.0018","32.685","0.007","8.1857","0.0016","90","","93.39","0.03","90","","2419","0.9","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 ethenzamide and 4-aminobenzoic acid cocrystal","2:1 ethenzamide and 4-aminobenzoic acid cocrystal","","- C25 H29 N3 O6 -","- C25 H29 N3 O6 -","- C100 H116 N12 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.1159","0.0864","","","0.179","0.1969","","","","","","1.192","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214704","9.4871","0.0019","6.4682","0.0013","23.703","0.005","90","","98.65","0.03","90","","1438","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 ethenzamide and 4-hydroxybenzoic acid","cocrystal of ethenzamide with 4-hydroxybenzoic acid","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0683","0.0598","","","0.1481","0.155","","","","","","1.123","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214705","8.2154","0.0016","8.4654","0.0017","9.3991","0.0019","70.3","0.03","71.82","0.03","65.97","0.03","550.4","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:0.5 ethenzamide and fumaric acid cocrystal","cocrystal of ethenzamide with fumaric acid","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0827","0.0763","","","0.1899","0.196","","","","","","1.154","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214706","9.731","0.0019","11.7","0.002","13.496","0.003","77.46","0.03","81.25","0.03","68.07","0.03","1387.1","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Ag2 N8 O6 S2 -","- C64 H50 Ag2 N8 O6 S2 -","- C64 H50 Ag2 N8 O6 S2 -","1","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.0309","0.0263","","","0.0626","0.0653","","","","","","1.042","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214707","11.09","0.002","7.422","0.003","22.999","0.002","90","","92.998","0.004","90","","1890.5","0.9","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","2","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71073","MoKα","","0.0702","0.043","","","0.0938","0.1164","","","","","","1.023","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214708","19.434","0.005","5.479","0.005","17.999","0.005","90","0.005","92.686","0.005","90","0.005","1914.4","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","1","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.0597","0.0462","","","0.1432","0.1668","","","","","","1.059","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214709","16.667","0.005","22.086","0.005","14.712","0.005","90","0.005","119.395","0.005","90","0.005","4718","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Ag2 Cl2 N8 O8 -","- C50 H36 Ag2 Cl2 N8 O8 -","- C200 H144 Ag8 Cl8 N32 O32 -","4","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.1095","0.0435","","","0.0839","0.1078","","","","","","0.998","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214710","12.745","0.005","13.971","0.005","21.091","0.005","101.276","0.005","93.521","0.005","114.371","0.005","3312.1","1.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C150 H108 Ag4 N28 O16 -","- C150 H108 Ag4 N28 O16 -","- C150 H108 Ag4 N28 O16 -","1","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.1054","0.0574","","","0.157","0.1886","","","","","","1.038","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214711","16.2938","0.0004","16.3581","0.0003","16.329","0.0004","90","","90","","90","","4352.26","0.17","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C31 H106 N Na5 O55 P4 -","- C31 H105.98 N Na5 O55 P4 -","- C62 H211.96 N2 Na10 O110 P8 -","2","0.5","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.0875","0.0749","","","0.2006","0.2066","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214712","16.1842","0.0004","16.1842","","31.2772","0.0007","90","","90","","90","","8192.4","0.3","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C41 H115 N4 Na9 O56 P4 -","- C41 H115 N4 Na9 O56 P4 -","- C164 H460 N16 Na36 O224 P16 -","4","0.25","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.1222","0.0475","","","0.0966","0.104","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214713","14.8815","0.0004","33.7011","0.001","9.4872","0.0002","90","","90","","90","","4758","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin hexahydrate","cyclohexaamylose hexahydrate, cyclomaltohexaose hexahydrate","","- C36 H72 O36 -","- C36 H72 O36 -","- C144 H288 O144 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.71073","MoKα","","0.0749","0.0498","","","0.1101","0.1245","","","","","","1.023","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214714","14.657","0.005","34.253","0.014","9.217","0.004","90","","90","","90","","4627","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin 6.8-hydrate","cyclohexaamylose 6.8-hydrate, cyclomaltohexaose 6.8-hydrate","","- C36 H73.6 O36.8 -","- C36 H70 O36.8 -","- C144 H280 O147.2 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.5","synchrotron","","0.0976","0.0688","","","0.1606","0.1799","","","","","","1.056","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214715","9.2","0.003","9.208","0.003","9.269","0.003","77.953","0.008","86.586","0.011","88.716","0.01","766.5","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10.5 Al3 N O14 P3 -","- C4 H10.5 Al3 N O14 P3 -","- C8 H21 Al6 N2 O28 P6 -","2","1","","Wu, Jinxiong; Zhao, Huiru; Li, Niu; Luo, Qianqian; He, Chunqian; Guan, Naijia; Xiang, Shouhe","Fluorine-free crystallization of triclinic AlPO4-34","CrystEngComm","2012","14","24","8671","","10.1039/c2ce26335a","","","0.71073","MoKα","","0.035","0.0275","","","0.0827","0.0842","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214716","12.494","0.0006","7.5099","0.0004","22.6355","0.0011","90","","90","","90","","2123.86","0.18","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Cl2 Cu N4 O2 -","- C6 H10 Cl2 Cu N4 O2 -","- C48 H80 Cl16 Cu8 N32 O16 -","8","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0558","0.0302","","","0.0601","0.0626","","","","","","0.848","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214717","10.0366","0.0007","9.1255","0.0007","10.2985","0.0007","90","","95.832","0.005","90","","938.35","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N3 O4 -","- C8 H7 Cu N3 O4 -","- C32 H28 Cu4 N12 O16 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","1.54184","CU-Kα","","0.033","0.031","","","0.083","0.084","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214718","9.9258","0.0002","12.0698","0.0003","20.1039","0.0006","90","","97.815","0.003","90","","2386.13","0.11","294","0.1","294","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cu N6 O6 -","- C22 H20 Cu N6 O6 -","- C88 H80 Cu4 N24 O24 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0919","0.0508","","","0.096","0.1092","","","","","","1.031","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214719","7.6075","0.0002","9.9472","0.0004","20.8858","0.0008","81.235","0.003","82.268","0.003","72.818","0.003","1485.61","0.09","295.5","0.1","295.5","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 Cu N12 O18 -","- C58 H54 Cu N12 O18 -","- C58 H54 Cu N12 O18 -","1","0.5","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.044","0.0374","","","0.0991","0.1032","","","","","","1.052","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214720","8.388","0.002","9.738","0.002","9.873","0.003","108.791","0.004","104.892","0.003","107.59","0.003","669.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O8 Zn -","- C30 H24 N4 O8 Zn -","- C30 H24 N4 O8 Zn -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0489","0.0441","","","0.1101","0.1133","","","","","","1.07","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214721","6.8644","0.001","10.5393","0.0016","13.217","0.002","100.562","0.002","104.377","0.002","105.7","0.002","858.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Co N6 O16 -","- C30 H40 Co N6 O16 -","- C30 H40 Co N6 O16 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.034","0.0325","","","0.0847","0.0857","","","","","","1.048","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214722","9.913","0.002","19.061","0.004","17.668","0.004","90","","90","","90","","3338.4","1.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Mn N6 O15 -","- C30 H38 Mn N6 O15 -","- C120 H152 Mn4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0467","0.0366","","","0.087","0.0921","","","","","","1.068","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214723","10.1093","0.0011","19.192","0.002","17.7243","0.0019","90","","90","","90","","3438.8","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Cd N6 O15 -","- C30 H38 Cd N6 O15 -","- C120 H152 Cd4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0335","0.0274","","","0.065","0.0679","","","","","","1.032","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214724","8.3646","0.0015","9.7689","0.0018","9.8696","0.0018","108.832","0.002","104.851","0.002","107.612","0.002","669.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N4 O8 -","- C30 H24 Co N4 O8 -","- C30 H24 Co N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0383","0.0369","","","0.0981","0.0995","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214725","8.4711","0.0014","9.7326","0.0015","9.8148","0.0016","107.072","0.002","104.858","0.002","107.854","0.002","680.83","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Mn N4 O8 -","- C30 H24 Mn N4 O8 -","- C30 H24 Mn N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0415","0.0394","","","0.1121","0.1141","","","","","","1.074","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214726","8.5836","0.0018","9.657","0.002","9.767","0.002","106.032","0.002","104.659","0.002","107.781","0.003","688.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cd N4 O8 -","- C30 H24 Cd N4 O8 -","- C30 H24 Cd N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.031","0.0303","","","0.0763","0.0767","","","","","","1.088","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214727","9.16","0.003","13.013","0.004","13.708","0.004","109.512","0.004","103.074","0.004","91.406","0.004","1491.3","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O8 Zn -","- C32 H28 N4 O8 Zn -","- C64 H56 N8 O16 Zn2 -","2","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0669","0.0529","","","0.1308","0.1404","","","","","","1.051","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214728","9.738","0.002","11.204","0.003","17.566","0.004","90","","102.186","0.003","90","","1873.3","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H46.5 Co N4 O17.25 -","- C32 H46.5 Co N4 O17.25 -","- C64 H93 Co2 N8 O34.5 -","2","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0631","0.0498","","","0.1132","0.1192","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214729","21.367","0.003","17.381","0.002","18.152","0.003","90","","110.306","0.002","90","","6322.3","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Mn N4 O12 -","- C32 H36 Mn N4 O11.75 -","- C256 H288 Mn8 N32 O94 -","8","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0696","0.0484","","","0.1191","0.1297","","","","","","1.021","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214730","10.461","0.005","12.371","0.006","16.497","0.008","78.244","0.006","77.713","0.006","74.766","0.006","1987.8","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Cd N5 O13 -","- C38 H44 Cd N5 O13 -","- C76 H88 Cd2 N10 O26 -","2","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0437","0.0386","","","0.0938","0.0973","","","","","","1.037","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214731","6.904","0.005","10.602","0.007","13.212","0.009","99.906","0.009","104.443","0.009","105.949","0.009","869.9","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N6 O16 Zn -","- C30 H40 N6 O16 Zn -","- C30 H40 N6 O16 Zn -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0434","0.0384","","","0.0932","0.0962","","","","","","1.025","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214732","10.9016","0.0015","22.154","0.003","13.0426","0.0019","90","","103.073","0.006","90","","3068.3","0.7","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","(Mn4(H2O)6(L2)(B1)2)-DMF-5(H2O)","[Mn4(H2O)6(L2)(B1)2]-DMF-5(H2O)","","- C52 H61 Mn4 N11 O28 -","- C52 H46 Mn4 N11 O28 -","- C104 H92 Mn8 N22 O56 -","2","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.1053","0.0916","","","0.2463","0.2605","","","","","","1.052","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214733","13.4995","0.0019","12.4212","0.0014","40.153","0.006","90","","108.438","0.006","90","","6387.2","1.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ni2(B1)(L2)2)-13(H2O)","[Ni2(B1)(L2)2]-13(H2O)","","- C56 H78 N14 Ni2 O21 -","- C56 H56 N14 Ni2 O21.165 -","- C224 H224 N56 Ni8 O84.66 -","4","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.0693","0.0513","","","0.1295","0.1406","","","","","","1.045","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214734","13.543","0.002","12.338","0.003","40.267","0.007","90","","108.395","0.007","90","","6385","2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Co2(B1)(L2)2)-13(H2O)","[Co2(B1)(L2)2]-13(H2O)","","- C56 H78 Co2 N14 O21 -","- C56 H52 Co2 N14 O20.547 -","- C224 H208 Co8 N56 O82.188 -","4","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.0839","0.0616","","","0.1592","0.1751","","","","","","1.02","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214735","5.679","0.0008","5.8215","0.0008","10.7072","0.0014","103.502","0.012","93.207","0.011","107.717","0.012","324.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1-Dioxo-tetrahydro-1?6-thiopyran-3-one","","- C5 H8 O3 S -","- C5 H8 O3 S -","- C10 H16 O6 S2 -","2","1","","Shishkin, Oleg V.; Medvediev, Volodymyr V.; Zubatyuk, Roman I.; Shyshkina, Olena O.; Kovalenko, Nataliya V.; Volovenko, Julian M.","Role of different molecular fragments in formation of the supramolecular architecture of the crystal of 1,1-dioxo-tetrahydro-1λ6-thiopyran-3-one","CrystEngComm","2012","14","24","8698","","10.1039/c2ce26332g","","","0.7107","MoKα","","0.0513","0.0403","","","0.0877","0.0987","","","","","","1.055","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214736","12.29","0.005","13.7","0.005","13.798","0.005","108.736","0.005","92.793","0.005","114.369","0.005","1959.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H28 Ag7 Mo12 N24 O41 P -","- C40 H28 Ag7 Mo12 N24 O41 P -","- C40 H28 Ag7 Mo12 N24 O41 P -","1","0.5","","Wang, Xiang; Peng, Jun; Alimaje, Kundawlet; Shi, Zhen-Yu","Keggin POM-based 3D framework tuned by silver polymeric motifs: structural influences of tetrazolate functional groups","CrystEngComm","2012","14","24","8509","","10.1039/c2ce26193f","","","0.71069","MoKα","","0.1081","0.0714","","","0.1442","0.1646","","","","","","1.086","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214737","12.453","0.005","13.018","0.005","17.071","0.005","95.864","0.005","91.454","0.005","100.003","0.005","2708.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Ag5 Mo12 N14 O41 P -","- C20 H16 Ag5 Mo12 N14 O41 P -","- C40 H32 Ag10 Mo24 N28 O82 P2 -","2","1","","Wang, Xiang; Peng, Jun; Alimaje, Kundawlet; Shi, Zhen-Yu","Keggin POM-based 3D framework tuned by silver polymeric motifs: structural influences of tetrazolate functional groups","CrystEngComm","2012","14","24","8509","","10.1039/c2ce26193f","","","0.71069","MoKα","","0.0721","0.0565","","","0.1549","0.1694","","","","","","1.072","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214738","16.537","0.003","14.403","0.002","7.9836","0.0011","90","","96.63","0.012","90","","1888.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Eu N6 O7 -","- C16 H13 Eu N6 O7 -","- C64 H52 Eu4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0502","0.0462","","","0.1073","0.1112","","","","","","1.17","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214739","16.557","0.0009","14.4501","0.0007","8.0012","0.0004","90","","96.648","0.004","90","","1901.42","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N6 O7 Sm -","- C16 H13 N6 O7 Sm -","- C64 H52 N24 O28 Sm4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0502","0.0477","","","0.1129","0.1152","","","","","","1.173","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214740","16.5521","0.0008","14.3705","0.0006","7.963","0.0004","90","","96.36","0.004","90","","1882.44","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N6 O7 Tb -","- C16 H13 N6 O7 Tb -","- C64 H52 N24 O28 Tb4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0425","0.0393","","","0.0912","0.0943","","","","","","1.03","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214741","16.512","0.003","14.256","0.002","7.9218","0.0011","90","","96.345","0.012","90","","1853.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Er N6 O7 -","- C16 H13 Er N6 O7 -","- C64 H52 Er4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0351","0.034","","","0.0874","0.0889","","","","","","1.009","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214742","16.619","0.009","14.447","0.008","8.019","0.004","90","","96.614","0.01","90","","1912.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Gd N6 O7 -","- C16 H13 Gd N6 O7 -","- C64 H52 Gd4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0644","0.0584","","","0.1241","0.1283","","","","","","1.194","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214743","22.461","0.004","8.7532","0.0018","15.471","0.003","90","","102.78","0.03","90","","2966.3","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Dy2 N4 O24 S2 -","- C18 H24 Co Dy2 N4 O24 S2 -","- C72 H96 Co4 Dy8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0286","0.0265","","","0.0646","0.0654","","","","","","1.004","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214744","15.418","0.003","8.6","0.0017","24.421","0.008","90","","115.58","0.02","90","","2920.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Co Er2 N4 O24 S2 -","- C18 H24 Co Er2 N4 O24 S2 -","- C72 H96 Co4 Er8 N16 O96 S8 -","4","1","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0337","0.0275","","","0.059","0.0618","","","","","","0.99","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214745","22.434","0.019","8.783","0.007","15.504","0.012","90","","101.989","0.016","90","","2988","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Eu2 N4 O24 S2 -","- C18 H23.992 Co Eu2 N4 O23.996 S2 -","- C72 H95.968 Co4 Eu8 N16 O95.984 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0317","0.0261","","","0.0559","0.0572","","","","","","0.9","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214746","22.527","0.004","8.7652","0.0018","15.549","0.003","90","","102.57","0.03","90","","2996.6","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Gd2 N4 O24 S2 -","- C18 H24 Co Gd2 N4 O24 S2 -","- C72 H96 Co4 Gd8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0713","0.0501","","","0.0766","0.0817","","","","","","1.164","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214747","22.4616","0.0018","8.7319","0.0007","15.458","0.0012","90","","102.784","0.001","90","","2956.7","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Ho2 N4 O24 S2 -","- C18 H24 Co Ho2 N4 O24 S2 -","- C72 H96 Co4 Ho8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0222","0.0194","","","0.0458","0.047","","","","","","1.051","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214748","22.799","0.015","8.68","0.02","15.656","0.014","90","","102.364","0.007","90","","3026","8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N4 O24 Pr2 S2 -","- C18 H24 Co N4 O24 Pr2 S2 -","- C72 H96 Co4 N16 O96 Pr8 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0246","0.0201","","","0.0432","0.0442","","","","","","0.92","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214749","22.805","0.006","8.53","0.002","15.48","0.005","90","","102.424","0.005","90","","2940.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N4 O24 S2 Tb2 -","- C18 H24 Co N4 O24 S2 Tb2 -","- C72 H96 Co4 N16 O96 S8 Tb8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0219","0.0203","","","0.052","0.0527","","","","","","1.039","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214750","18.5924","0.0008","18.5924","0.0008","17.9643","0.0009","90","","90","","120","","5377.9","0.4","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C24 H24 N6 O14 Zn3 -","- C24 H5 N6 O14 Zn3 -","- C144 H30 N36 O84 Zn18 -","6","0.5","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0849","0.0699","","","0.1766","0.187","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214751","18.06","0.012","12.104","0.008","31.65","0.02","90","","90.48","0.015","90","","6918","8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 N3 O22 Zn5 -","- C39 H30 N3 O22 Zn5 -","- C156 H120 N12 O88 Zn20 -","4","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.1403","0.1136","","","0.2915","0.3191","","","","","","0.994","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214752","12.906","0.004","12.606","0.004","27.737","0.009","90","","92.97","0.007","90","","4507","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N3 O15 Zn3 -","- C18 H6 O15 Zn3 -","- C72 H24 O60 Zn12 -","4","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0908","0.0756","","","0.2221","0.2351","","","","","","1.005","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214753","31.171","0.012","12.186","0.004","27.629","0.011","90","","108.264","0.004","90","","9966","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 N6 O15 Zn3 -","- C28 H6 N4 O15 Zn3 -","- C224 H48 N32 O120 Zn24 -","8","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.1055","0.0856","","","0.2601","0.2858","","","","","","0.968","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214754","3.783","0.0001","13.7734","0.0003","11.4497","0.0003","90","","96.218","0.003","90","","593.07","0.03","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","- C32 H16 N8 O4 -","2","0.5","","Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei","Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ","CrystEngComm","2012","14","24","8620","","10.1039/c2ce26418h","","","1.54184","CuKα","","0.0399","0.0384","","","0.1005","0.1024","","","","","","1.02","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214755","3.8062","0.0004","9.0241","0.0009","11.0195","0.0007","76.628","0.008","89.855","0.007","85.583","0.008","367.09","0.06","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H4 Cl Cu N2 O -","- C8 H4 Cl Cu N2 O -","- C16 H8 Cl2 Cu2 N4 O2 -","2","1","","Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei","Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ","CrystEngComm","2012","14","24","8620","","10.1039/c2ce26418h","","","1.54184","CuKα","","0.0342","0.0324","","","0.0853","0.0871","","","","","","1.053","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214756","4.0152","0.0008","9.821","0.002","13.736","0.003","78.74","0.03","86.02","0.03","84.26","0.03","527.9","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 F4 -","- C30 H18 F4 -","- C30 H18 F4 -","1","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.1147","0.061","","","0.1623","0.1885","","","","","","1.077","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214757","4.875","0.001","13.857","0.003","20.296","0.004","90","","92.85","0.03","90","","1369.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 F12 -","- C34 H18 F12 -","- C68 H36 F24 -","2","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.3116","0.0905","","","0.1588","0.2568","","","","","","0.934","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214758","7.7071","0.0015","30.672","0.006","5.2356","0.001","90","","94.83","0.03","90","","1233.3","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.1178","0.0766","","","0.2154","0.2451","","","","","","1.01","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214759","10.3558","0.0005","26.56","0.0014","14.0029","0.0007","90","","107.368","0.003","90","","3675.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 N2 O4 -","- C42 H56 N2 O4 -","- C168 H224 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","","1.54184","CuKα","","0.0658","0.0523","","","0.1347","0.1454","","","","","","1.055","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214760","10.275","0.0003","10.275","0.0003","37.3096","0.001","90","","90","","90","","3938.98","0.19","173","2","173","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C44 H60 N2 O4 -","- C44 H60 N2 O4 -","- C176 H240 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0827","0.0671","","","0.1589","0.1706","","","","","","1.073","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214761","25.4087","0.0012","12.1422","0.0005","15.9143","0.0007","90","","113.402","0.002","90","","4506","0.4","223","2","223","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 N2 O7 -","- C46 H66 N2 O7 -","- C184 H264 N8 O28 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.1048","0.0661","","","0.1741","0.2044","","","","","","1.038","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214762","26.531","0.005","8.089","0.0016","25.787","0.005","90","","114.46","0.03","90","","5037","2","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O6 -","- C54 H80 N2 O6 -","- C216 H320 N8 O24 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.1039","0.0684","","","0.1509","0.1661","","","","","","1.05","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214763","14.993","0.0005","17.182","0.0006","20.278","0.0005","90","","104.334","0.002","90","","5061.2","0.3","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O6 -","- C54 H80 N2 O6 -","- C216 H320 N8 O24 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0997","0.054","","","0.1143","0.131","","","","","","1.023","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214764","6.1165","0.0008","7.466","0.0012","12.9602","0.0017","86.758","0.005","76.883","0.004","70.706","0.005","543.91","0.13","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C20 H26 N2 O12 -","2","2","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0532","","","","0.146","","","","","","1.119","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214765","8.0038","0.0006","11.0971","0.0008","13.0242","0.0013","101.247","0.003","95.778","0.004","101.541","0.003","1099.83","0.16","250","","250","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0484","","","","0.2106","","","","","","1.028","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214766","8.0322","0.0006","11.0953","0.0008","13.0247","0.0009","100.127","0.0017","96.793","0.002","101.35","0.0018","1106.18","0.14","300","","300","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0492","","","","0.2223","","","","","","1.057","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214767","9.45","0.002","11.83","0.002","11.964","0.002","114.83","0.03","101.03","0.03","94.64","0.03","1171.8","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C64 H48 N4 O6 -","2","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.0626","0.0417","","0.0741","0.071","0.0704","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214768","14.931","0.003","15.372","0.003","15.647","0.003","60.72","0.03","67.16","0.03","67.07","0.03","2796.3","1.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H60 N9 O12 -","- C63 H60 N9 O12 -","- C126 H120 N18 O24 -","2","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.71073","MoKα","","0.0989","0.0515","","0.2117","0.1347","0.1299","","","","","","1.0472","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214769","7.301","0.0015","16.518","0.003","24.294","0.003","90","","98.53","0.03","90","","2897.4","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","2","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.71073","MoKα","","0.1105","0.0576","","0.1087","0.0956","0.0928","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214770","10.6419","0.0003","12.6654","0.0004","22.1187","0.0006","90","","90","","90","","2981.25","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.1321","0.0593","","0.2451","0.1257","0.1134","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214771","6.9418","0.0011","7.9241","0.0011","16.6673","0.0019","82.282","0.01","82.029","0.011","66.661","0.011","830.5","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Hg I2 N3 O2 -","- C12 H11 Hg I2 N3 O2 -","- C24 H22 Hg2 I4 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0738","0.0617","","","0.1521","0.1611","","","","","","1.149","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7214772","6.7123","0.0006","13.9195","0.0017","26.783","0.003","90","","90","","90","","2502.4","0.5","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C24 H22 Cl2 Hg N6 O4 -","- C24 H22 Cl2 Hg N6 O4 -","- C96 H88 Cl8 Hg4 N24 O16 -","4","0.5","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0776","0.0616","","","0.181","0.1904","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214773","7.9158","0.0009","8.1142","0.0008","13.4426","0.0017","98.167","0.009","94.158","0.01","115.388","0.008","763.49","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br2 Hg N3 O2 -","- C12 H11 Br2 Hg N3 O2 -","- C24 H22 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0991","0.0942","","","0.1882","0.1987","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214774","7.9431","0.0007","8.9284","0.0008","12.9309","0.0012","93.369","0.007","97.228","0.007","104.449","0.007","877.1","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Hg I2 N3 O2 -","- C13 H13 Hg I2 N3 O2 -","- C26 H26 Hg2 I4 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.066","0.0598","","","0.1602","0.1669","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214775","7.7934","0.001","8.7382","0.0012","12.4967","0.0014","93.388","0.01","96.104","0.01","103.975","0.01","817.98","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br2 Hg N3 O2 -","- C13 H13 Br2 Hg N3 O2 -","- C26 H26 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0727","0.0626","","","0.1554","0.1629","","","","","","1.182","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214776","14.662","0.003","28.36","0.006","14.515","0.003","90","","114.78","0.03","90","","5480","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 Hg N6 O4 -","- C26 H26 Cl2 Hg N6 O4 -","- C208 H208 Cl16 Hg8 N48 O32 -","8","2","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0719","0.0535","","","0.1089","0.1153","","","","","","1.147","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214777","5.0331","0.0003","33.007","0.002","5.5043","0.0003","90","","99.24","0.004","90","","902.55","0.09","155","2","155","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C36 H48 N4 O10 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.033","0.0299","","","0.0678","0.0692","","","","","","1.352","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214778","36.447","0.007","5.012","0.001","17.294","0.004","90","","103.65","0.03","90","","3069.9","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C128 H176 N16 O24 -","8","2","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","Synchrotron","","0.2143","0.2","","","0.4452","0.4524","","","","","","1.157","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214779","8.8992","0.0012","9.9071","0.0017","12.299","0.002","75.265","0.007","81.633","0.007","76.227","0.007","1014.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 Br N2 O3 -","- C19 H27 Br N2 O3 -","- C38 H54 Br2 N4 O6 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.0987","0.0606","","","0.1685","0.1893","","","","","","1.095","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214780","8.5713","0.0011","9.9041","0.0011","11.2296","0.0014","97.717","0.004","108.25","0.004","101.874","0.004","865.48","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Br N2 O3 -","- C16 H21 Br N2 O3 -","- C32 H42 Br2 N4 O6 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.0555","0.04","","","0.1137","0.1286","","","","","","0.888","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214781","24.24","0.005","5.021","0.001","17.387","0.003","90","","91.28","0.03","90","","2115.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 N2 O3 -","- C22 H34 N2 O3 -","- C88 H136 N8 O12 -","4","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","Synchrotron","","0.1305","0.1295","","","0.4097","0.4101","","","","","","1.047","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214782","14.926","0.003","29.517","0.006","15.957","0.003","90","","116.34","0.03","90","","6300","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 Br4 Cl3 N4 O8 -","- C65 H65 Br4 Cl3 N4 O8 -","- C260 H260 Br16 Cl12 N16 O32 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.1263","0.0749","","","0.1699","0.1998","","","","","","1.024","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214783","13.645","0.001","35.308","0.003","13.891","0.001","90","","96.576","0.004","90","","6648.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H69 Br4 Cl5 N4 O8 -","- C66.5 H69 Br4 Cl5 N4 O8 -","- C266 H276 Br16 Cl20 N16 O32 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.1775","0.0898","","","0.2198","0.287","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214784","14.329","0.0003","16.2799","0.0004","17.1585","0.0005","73.013","0.001","68.37","0.001","87.773","0.001","3547.78","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H67 Br4 Cl9 N4 O8 -","- C67 H67 Br4 Cl9 N4 O8 -","- C134 H134 Br8 Cl18 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.0585","0.0533","","","0.1383","0.1428","","","","","","1.03","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214785","13.0274","0.0004","15.5167","0.0005","17.6396","0.0007","77.702","0.002","75.161","0.002","68.214","0.002","3172.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H71 Br4 N O8 -","- C70 H71 Br4 N O8 -","- C140 H142 Br8 N2 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.0602","0.0462","","","0.1088","0.1186","","","","","","1.041","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214786","18.7558","0.0011","10.1597","0.0004","18.8355","0.0012","90","","104.734","0.006","90","","3471.1","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","acetylacetonatochlorobis(morpholine)copper(II)","","- C13 H25 Cl Cu N2 O4 -","- C13 H25 Cl Cu N2 O4 -","- C104 H200 Cl8 Cu8 N16 O32 -","8","2","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.1103","0.0821","","","0.2234","0.2296","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214787","6.8963","0.0002","11.7384","0.0003","13.5638","0.0003","82.211","0.002","84.292","0.005","73.527","0.003","1041.07","0.05","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","benzoylacetonatochlorobis(morpholine)copper(II)","","- C18 H29 Cl Cu N2 O5 -","- C18 H29 Cl Cu N2 O5 -","- C36 H58 Cl2 Cu2 N4 O10 -","2","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0428","0.0318","","","0.0818","0.0847","","","","","","1.024","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214788","13.5493","0.0006","11.3606","0.0004","13.7432","0.0006","90","","92.171","0.004","90","","2113.95","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzoylacetonatonitratobis(morpholine)copper(II)","","- C18 H27 Cu N3 O7 -","- C18 H27 Cu N3 O7 -","- C72 H108 Cu4 N12 O28 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0657","0.0365","","","0.0761","0.0789","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214789","11.1998","0.001","17.0668","0.001","8.4726","0.0006","90","","102.461","0.008","90","","1581.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","(1,3-diphenyl-1,3-propanedionato)aquabis(morpholine)copper(II) chloride - morpholinium chloride","","- C27 H41 Cl2 Cu N3 O6 -","- C27 H41 Cl2 Cu N3 O6 -","- C54 H82 Cl4 Cu2 N6 O12 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0616","0.0511","","","0.13","0.133","","","","","","1.006","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214790","12.0852","0.0003","9.7689","0.0002","20.8357","0.0004","90","","91.745","0.002","90","","2458.7","0.09","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2,6,6-tetramethyl-3,5-heptanedionato)chloroobis(morpholine)copper(II) monohydrate","","- C19 H39 Cl Cu N2 O5 -","- C19 H39 Cl Cu N2 O5 -","- C76 H156 Cl4 Cu4 N8 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0647","0.0437","","","0.1221","0.1277","","","","","","0.989","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214791","10.458","0.002","37.201","0.006","7.053","0.002","90","","108.72","0.02","90","","2598.8","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2,6,6-tetramethyl-3,5-heptanedionato)thiocyanatobis(morpholine)copper(II)","","- C20 H37 Cu N3 O4 S -","- C20 H37 Cu N3 O4 S -","- C80 H148 Cu4 N12 O16 S4 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.2423","0.2156","","","0.5189","0.5347","","","","","","1.843","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214792","15.888","0.005","16.7","0.003","17.261","0.013","90","","113.85","0.06","90","","4189","4","150","0.2","150","0.2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(1,3-diphenyl-1,3-propanedionato)chlorobis(morpholine)copper(II) - morpholinium chloride morpholine solvate hydrate","","- C74 H126 Cl3 Cu2 N11 O17 -","- C74 H118 Cl3 Cu2 N11 O17 -","- C148 H236 Cl6 Cu4 N22 O34 -","2","0.25","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.1456","0.0837","","","0.2246","0.2405","","","","","","0.973","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214793","6.4957","0.0002","23.028","0.001","8.5679","0.0003","90","","102.451","0.004","90","","1251.47","0.08","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(1,3-diphenyl-1,3-propanedionato)thiocyanatobis(morpholine)copper(II)","","- C24 H29 Cu N3 O4 S -","- C24 H29 Cu N3 O4 S -","- C48 H58 Cu2 N6 O8 S2 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0535","0.0328","","","0.0889","0.0918","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214794","10.2419","0.0007","13.1084","0.0011","16.9868","0.0012","90","","90","","90","","2280.6","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,1,1-trifluoroacetylacetonatochlorobis(morpholine)copper(II) - morpholine solvate","","- C17 H31 Cl Cu F3 N3 O5 -","- C17 H31 Cl Cu F3 N3 O5 -","- C68 H124 Cl4 Cu4 F12 N12 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.085","0.0461","","","0.0959","0.1023","","","","","","0.839","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214795","7.0715","0.0014","9.0663","0.0018","17.098","0.003","92.53","0.03","101.12","0.03","102.62","0.03","1045.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 Cl N2 -","- C11 H13 Cl N2 -","- C44 H52 Cl4 N8 -","4","2","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0593","0.0435","","","0.1332","0.1501","","","","","","1.08","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214796","6.9883","0.0014","17.034","0.003","12.698","0.003","90","","99.88","0.03","90","","1489.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl N2 O S -","- C13 H19 Cl N2 O S -","- C52 H76 Cl4 N8 O4 S4 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0757","0.0452","","","0.1211","0.1349","","","","","","0.937","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214797","17.755","0.004","7.4749","0.0015","18.786","0.004","90","","90","","90","","2493.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0873","0.0522","","","0.1345","0.1495","","","","","","1.044","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214798","24.339","0.005","7.2309","0.0014","18.639","0.004","90","","112.5","0.03","90","","3030.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","2","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.115","0.0592","","","0.1247","0.1442","","","","","","1.036","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214799","7.1192","0.0014","15.328","0.003","15.729","0.003","90","","90","","90","","1716.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O8 -","- C15 H22 N2 O8 -","- C60 H88 N8 O32 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.055","0.0483","","","0.1351","0.1391","","","","","","1.045","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214800","16.1492","0.0014","15.1711","0.0013","26.937","0.002","90","","90","","90","","6599.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H54 N4 O18 Zn5 -","- C74 H54 N4 O18 Zn5 -","- C296 H216 N16 O72 Zn20 -","4","0.5","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0741","0.0426","","","0.0945","0.1115","","","","","","1.002","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214801","30.2764","0.0006","12.1038","0.0003","30.7311","0.0007","90","","96.377","0.001","90","","11192","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H38 N2 O17 Pb5 -","- C61 H38 N2 O17 Pb5 -","- C488 H304 N16 O136 Pb40 -","8","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0611","0.0368","","","0.0674","0.0742","","","","","","1.009","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214802","8.9885","0.0003","18.7361","0.0006","7.8637","0.0003","90","","98.878","0.003","90","","1308.45","0.08","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Mn N2 O8 -","- C11 H12 Mn N2 O8 -","- C44 H48 Mn4 N8 O32 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0382","0.0314","","","0.0727","0.0766","","","","","","1.078","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214803","14.03","0.009","6.614","0.004","12.613","0.008","90","","103.62","0.008","90","","1137.5","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O5 Sr -","- C11 H8 N2 O5 Sr -","- C44 H32 N8 O20 Sr4 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0964","0.0572","","","0.1367","0.1498","","","","","","1.009","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214804","21.363","0.002","10.5184","0.0011","20.465","0.002","90","","90","","90","","4598.6","0.8","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H30 Cd2 N8 O11 -","- C47 H26 Cd2 N8 O11 -","- C188 H104 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0924","0.0516","","","0.1193","0.1391","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214805","9.4315","0.0011","20.99","0.003","20.452","0.002","90","","103.183","0.001","90","","3942.1","0.8","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N8 O11 -","- C42 H28 Cd2 N8 O11 -","- C168 H112 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0521","0.0357","","","0.0834","0.0909","","","","","","1.026","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214806","14.9469","0.0007","6.6581","0.0002","12.6986","0.0005","90","","103.505","0.005","90","","1228.8","0.09","290.5","","290.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O5 Sr -","- C12 H10 N2 O5 Sr -","- C48 H40 N8 O20 Sr4 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.7107","MoKα","","0.0481","0.0346","","","0.0779","0.0836","","","","","","1.059","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214807","15.0195","0.0007","15.2813","0.0007","19.1307","0.001","103.351","0.004","91.289","0.004","93.269","0.004","4262.3","0.4","291.15","","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H69 Cd4 N15 O17 -","- C83 H69 Cd4 N15 O17 -","- C166 H138 Cd8 N30 O34 -","2","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.7107","MoKα","","0.0741","0.0432","","","0.0854","0.0996","","","","","","1.027","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214808","24.3529","0.0009","24.3529","0.0009","14.2468","0.001","90","","90","","120","","7317.3","0.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co1.5 N2 O8 -","- C12 H15 Co1.5 N2 O8 -","- C216 H270 Co27 N36 O144 -","18","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0745","0.0406","","","0.0983","0.1179","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214809","11.813","0.014","18","0.02","22.3","0.03","90","","97.925","0.01","90","","4696","10","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 Cl Mn2 N6 O13 -","- C46 H41 Cl Mn2 N6 O13 -","- C184 H164 Cl4 Mn8 N24 O52 -","4","1","","Manna, Subal Chandra; Mistri, Soumen; Jana, Atish Dipankar","A rare supramolecular assembly involving ion pairs of coordination complexes with a host‒guest relationship: synthesis, crystal structure, photoluminescence and thermal study","CrystEngComm","2012","14","21","7415","","10.1039/c2ce25916h","","","0.71073","MoKα","","0.1354","0.1052","","","0.2084","0.2217","","","","","","1.235","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214810","16.2948","0.0003","16.2948","0.0003","19.3671","0.0006","90","","90","","120","","4453.42","0.18","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C168 H216 Cl12 Fe3 Mn6 N33 O24 -","3","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0662","0.071","","","","","","0.999","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214811","28.5554","0.0002","28.5554","0.0002","19.2155","0.0002","90","","90","","120","","13569.3","0.19","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C504 H648 Br36 Fe9 Mn18 N99 O72 -","3","1","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0688","0.0379","","","0.0701","0.0791","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214812","16.4076","0.0003","10.4683","0.0002","21.8806","0.0004","90","","119.305","0.001","90","","3277.25","0.11","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H86 Fe Mn2 N11 O13 -","- C60 H86.001 Fe Mn2 N11 O13 -","- C120 H172.002 Fe2 Mn4 N22 O26 -","2","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0516","0.035","","","0.0798","0.0877","","","","","","1.012","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214813","7.258","0.0009","8.4271","0.001","12.6094","0.0015","77.86","0.002","75.529","0.002","72.829","0.003","705.67","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O4 -","- C16 H12 F3 N O4 -","- C32 H24 F6 N2 O8 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0643","0.0578","","","0.1395","0.1432","","","","","","1.091","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214814","8.6037","0.0011","9.5432","0.0012","10.2702","0.0013","93.248","0.002","101.615","0.002","107.129","0.002","783.27","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N O7 -","- C15 H16 Cl N O7 -","- C30 H32 Cl2 N2 O14 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0893","0.0784","","","0.2203","0.2274","","","","","","1.221","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214815","11.1151","0.0009","11.8964","0.0009","22.1546","0.0018","91.414","0.002","98.911","0.002","110.246","0.002","2705.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 N4 O21 S3 -","- C56 H52 N4 O21 S3 -","- C112 H104 N8 O42 S6 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0998","0.0652","","","0.1352","0.1503","","","","","","1.035","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214816","10.1643","0.0011","10.1819","0.001","34.305","0.004","90","","95.067","0.003","90","","3536.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40.75 H39 N4 O6.75 -","- C40.75 H37 N4 O6.75 -","- C163 H148 N16 O27 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.1337","0.0861","","","0.2053","0.2338","","","","","","1.072","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214817","39.688","0.008","8.3626","0.0017","16.671","0.003","90","","97.19","0.03","90","","5489.5","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O4 -","- C34 H26 N4 O4 -","- C272 H208 N32 O32 -","8","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0987","0.0559","","","0.1242","0.1471","","","","","","1.018","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214818","8.8462","0.0001","9.6181","0.0001","18.7208","0.0001","84.621","0.001","85.074","0.001","81.72","0.001","1565.05","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O5 S -","- C36 H32 N4 O5 S -","- C72 H64 N8 O10 S2 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1226","0.0677","","","0.1413","0.1715","","","","","","1.03","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214819","8.881","0.0004","14.2224","0.0007","14.3149","0.0006","114.149","0.002","97.447","0.002","100.481","0.004","1579.84","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O5 S -","- C36 H32 N4 O5 S -","- C72 H64 N8 O10 S2 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0751","0.0506","","","0.118","0.1335","","","","","","1.046","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214820","10.5379","0.0007","11.538","0.0007","12.1818","0.0007","78.559","0.003","74.708","0.003","77.753","0.004","1380.16","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C66 H50 N10 O8 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0982","0.0603","","","0.1393","0.1622","","","","","","1.041","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214821","14.0456","0.0007","19.2718","0.0008","11.4694","0.0005","90","","94.781","0.002","90","","3093.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N6 O5 -","- C36 H32 N6 O5 -","- C144 H128 N24 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0985","0.0575","","","0.1253","0.1476","","","","","","1.047","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214822","12.4871","0.0005","16.7057","0.0007","14.7175","0.0007","90","","90.296","0.002","90","","3070.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N5 O5 -","- C33 H25 N5 O4 -","- C132 H100 N20 O16 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1001","0.0535","","","0.1242","0.1418","","","","","","0.981","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214823","12.4748","0.0005","16.6624","0.0005","14.8765","0.0006","90","","92.704","0.002","90","","3088.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 N10 O8 -","- C73 H58 N10 O8 -","- C146 H116 N20 O16 -","2","0.5","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1541","0.0952","","","0.1937","0.2194","","","","","","1.075","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214824","13.2559","0.0004","16.6185","0.0006","13.9389","0.0006","90","","103.633","0.002","90","","2984.13","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 N5 O5 -","- C35 H31 N5 O5 -","- C140 H124 N20 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0891","0.0551","","","0.1237","0.1441","","","","","","1.025","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214825","12.7568","0.0005","16.6186","0.0007","16.5266","0.0007","90","","124.487","0.003","90","","2887.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N5 O5 -","- C34 H29 N5 O5 -","- C136 H116 N20 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1302","0.0732","","","0.1622","0.1939","","","","","","1.068","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214826","9.7193","0.0005","18.6564","0.0008","17.5185","0.0008","90","","92.741","0.002","90","","3172.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N5 O5 S -","- C35 H31 N5 O5 S -","- C140 H124 N20 O20 S4 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.097","0.0527","","","0.1109","0.1299","","","","","","1.022","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214827","12.9687","0.0012","7.9248","0.0007","14.4847","0.0014","90","","106.222","0.001","90","","1429.4","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C25 H38 Cl Co N4 O11 -","- C25 H38 Cl Co N4 O11 -","- C50 H76 Cl2 Co2 N8 O22 -","2","0.5","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0801","0.0607","","","0.1545","0.1687","","","","","","1.067","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214828","17.6242","0.0012","11.8799","0.0008","11.8432","0.0008","90","","108.933","0.001","90","","2345.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H28 Cl2 N4 Ni O11.5 -","- C15.5 H28 Cl2 N4 Ni O11.5 -","- C62 H112 Cl8 N16 Ni4 O46 -","4","1","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0609","0.0432","","","0.1175","0.1316","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214829","15.1068","0.0016","17.4396","0.0018","20.834","0.002","90","","92.055","0.001","90","","5485.3","1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H58 Cl N11 Ni4 O7.5 S3 -","- C38.5 H58 Cl N11 Ni4 O7.5 S3 -","- C154 H232 Cl4 N44 Ni16 O30 S12 -","4","1","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.1957","0.0699","","","0.1671","0.264","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214830","27.539","0.0009","27.539","0.0009","13.4753","0.0008","90","","90","","90","","10219.6","0.8","273","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C70 H112 Cl2 Cu8 N22 O28 S6 -","- C69.996 H112 Cl2 Cu8 N21.996 O28 S5.996 -","- C279.984 H448 Cl8 Cu32 N87.984 O112 S23.984 -","4","0.25","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0934","0.079","","","0.2194","0.2401","","","","","","1.029","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214831","11.655","0.001","11.6654","0.0003","16.9859","0.0004","90","","90","","90","","2309.4","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-aminopyridinium_6-fluorosalicylate","4-aminopyridinium_6-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C96 H88 F8 N16 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0635","0.0496","","","0.116","0.125","","","","","","1.08","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214832","17.1666","0.0005","3.8501","0.0001","19.561","0.0004","90","","90","","90","","1292.85","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4-aminopyridium_5-bromosalicylate_monohydrate","4-aminopyridium_5-bromosalicylate_monohydrate","","- C12 H13 Br N2 O4 -","- C12 H13 Br N2 O4 -","- C48 H52 Br4 N8 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0384","0.0282","","","0.0584","0.0629","","","","","","1.089","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214833","4.4","0.005","18.068","0.005","8.581","0.005","90","","96.077","0.005","90","","678.3","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium 5-iodosalicylate monohydrate","4-aminopyridinium 5-iodosalicylate monohydrate","","- C12 H13 I N2 O4 -","- C12 H13 I N2 O4 -","- C24 H26 I2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0165","0.0162","","","0.0386","0.0388","","","","","","1.066","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214834","10.9737","0.0005","4.5752","0.0002","11.9808","0.0005","90","","96.809","0.003","90","","597.28","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium 3-nitrosalicylate","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C24 H22 N6 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0819","0.0587","","","0.1093","0.1219","","","","","","1.119","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214835","15.1705","0.0007","4.6669","0.0002","19.6506","0.0008","90","","104.734","0.002","90","","1345.5","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-aminopyridinium_5-acetylaminosalicylate","4-aminopyridinium_5-acetylaminosalicylate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0741","0.0542","","","0.1083","0.1212","","","","","","1.062","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214836","23.3169","0.0011","8.1015","0.0004","18.0588","0.0008","90","","110.986","0.002","90","","3185.1","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-aminopyridium_5-aminosalicylate_pyridine","4-aminopyridium_5-aminosalicylate_pyridine","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C136 H144 N32 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.1426","0.0879","","","0.1487","0.1762","","","","","","1.119","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214837","11.9815","0.0005","7.9626","0.0002","12.4836","0.0005","90","","100.4","0.002","90","","1171.42","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-chlorosalicylate","4-aminopyridinium_5-chlorosalicylate","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0619","0.0527","","","0.115","0.1191","","","","","","1.103","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214838","4.4573","0.0005","17.317","0.002","8.484","0.0007","90","","97.333","0.007","90","","649.5","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium_5-chlorosalicylate_hydrate","4-aminopyridinium_5-chlorosalicylate_hydrate","","- C12 H13 Cl N2 O4 -","- C12 H13 Cl N2 O4 -","- C24 H26 Cl2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.102","0.0578","","","0.1126","0.1316","","","","","","0.992","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214839","10.7838","0.0004","8.5407","0.0002","12.1504","0.0005","90","","95.099","0.002","90","","1114.64","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-fluorosalicylate","4-aminopyridinium_5-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C48 H44 F4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0629","0.0437","","","0.1079","0.1198","","","","","","1.063","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214840","13.6431","0.0003","8.1006","0.0002","12.4428","0.0002","90","","112.279","0.001","90","","1272.49","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-iodosalicylate","4-aminopyridinium_5-iodosalicylate","","- C12 H11 I N2 O3 -","- C12 H11 I N2 O3 -","- C48 H44 I4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0258","0.0235","","","0.0515","0.0527","","","","","","1.096","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214841","18.657","0.001","8.6657","0.0005","10.9293","0.0005","90","","102.573","0.004","90","","1724.63","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridium_5-iodosalicylate_pyridine","4-aminopyridium_5-iodosalicylate_pyridine","","- C17 H16 I N3 O3 -","- C17 H16 I N3 O3 -","- C68 H64 I4 N12 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0579","0.0433","","","0.0817","0.0901","","","","","","1.112","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214842","21.8619","0.0015","15.0658","0.0009","3.9918","0.0003","90","","90","","90","","1314.77","0.16","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-aminopyridinium_5-methoxysalicylate_monohydrate","4-aminopyridinium_5-methoxysalicylate_monohydrate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0716","0.0472","","","0.1007","0.1128","","","","","","1.041","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214843","13.5414","0.0003","15.0598","0.0002","13.0106","0.0002","90","","108.645","0.001","90","","2514.01","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-methylsalicylate","4-aminopyridinium_5-methylsalicylate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0553","0.0432","","","0.1003","0.1071","","","","","","1.029","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214844","3.7777","0.0001","12.5991","0.0005","25.0825","0.001","90","","90","","90","","1193.82","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminopyridinium 5-nitrosalicylate","4-aminopyridinium 5-nitrosalicylate","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0683","0.0525","","","0.1131","0.1218","","","","","","1.109","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214845","10.402","0.002","18.512","0.004","12.824","0.003","90","","100.298","0.003","90","","2429.6","0.9","293","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H56 Ag3 B3 F12 N8 O4 -","- C36 H56 Ag3 B3 F12 N8 O4 -","- C72 H112 Ag6 B6 F24 N16 O8 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1107","0.0694","","","0.0869","0.0981","","","","","","1.097","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214846","13.6526","0.0014","17.5146","0.0017","19.2169","0.0019","90","","93.667","0.001","90","","4585.7","0.8","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H104 Ag5 B4 F16 N17 O6 -","- C73 H104 Ag5 B4 F16 N17 O6 -","- C146 H208 Ag10 B8 F32 N34 O12 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0921","0.0572","","","0.1241","0.1448","","","","","","1.017","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214847","23.97","0.03","15.082","0.016","13.04","0.014","90","","111.702","0.01","90","","4380","9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C144 H192 Ag10 B10 F40 N32 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1479","0.1228","","","0.2479","0.2669","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214848","23.966","0.003","15.116","0.002","13.0659","0.0018","90","","111.746","0.001","90","","4396.5","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C144 H192 Ag10 Cl10 N32 O40 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0935","0.0821","","","0.173","0.1815","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214849","3.642","0.0003","3.642","0.0003","11.814","0.002","90","","90","","90","","156.7","0.03","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Er O4 -","- Al Ca Er O4 -","- Al2 Ca2 Er2 O8 -","2","0.0625","","Zhu, Zhaojie; Zeng, Huiyi; Li, Jianfu; You, Zhenyu; Wang, Yan; Huang, Zixiang; Tu, Chaoyang","Growth, structure and spectral properties of a novel crystal CaErAlO4 for 2.7 μm lasers","CrystEngComm","2012","14","21","7423","","10.1039/c2ce26013a","","","0.71073","MoKα","","0.0313","0.0278","","","0.0596","0.0611","","","","","","1.093","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214850","8.4319","0.0013","11.4199","0.0018","12.3466","0.0019","115.41","0.006","95.966","0.007","100.016","0.007","1036","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0683","0.0441","","","0.0978","0.1062","","","","","","0.961","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214851","8.512","0.003","9.602","0.003","14.26","0.005","82.134","0.023","75.238","0.022","73.081","0.022","1075.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C46 H42 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0651","0.041","","","0.0939","0.101","","","","","","1.032","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214852","8.2526","0.0008","11.0759","0.001","13.7895","0.0018","101.575","0.005","105.505","0.006","111.738","0.004","1063.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N3 O6 S -","- C22 H18 Br N3 O6 S -","- C44 H36 Br2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.047","0.0305","","","0.0629","0.0666","","","","","","0.959","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214853","8.216","0.0005","10.957","0.0007","13.7261","0.0009","67.227","0.004","74.686","0.004","68.598","0.004","1049.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl N3 O6 S -","- C22 H18 Cl N3 O6 S -","- C44 H36 Cl2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0851","0.0454","","","0.0928","0.1014","","","","","","0.871","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214854","8.467","0.0006","11.1895","0.0009","12.295","0.0009","114.729","0.004","96.555","0.004","98.491","0.004","1026.17","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0682","0.0417","","","0.0937","0.1025","","","","","","0.947","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214855","8.2304","0.0004","10.8476","0.0006","13.7358","0.0007","68.2669","0.0028","75.0863","0.0028","69.1073","0.0027","1053.11","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 S -","- C22 H18 N4 O8 S -","- C44 H36 N8 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.062","0.038","","","0.0848","0.0928","","","","","","0.875","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214856","24.4459","0.0003","24.4459","0.0003","6.9701","0.0001","90","","90","","90","","4165.35","0.09","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C176 H144 F8 N24 O48 S8 -","8","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0998","0.044","","","0.0901","0.1058","","","","","","0.956","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214857","6.8637","0.0006","11.6363","0.0011","13.8047","0.0012","83.313","0.004","79.158","0.005","73.738","0.005","1037.17","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N4 O6 S -","- C22 H20 N4 O6 S -","- C44 H40 N8 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.077","0.0476","","","0.1003","0.1137","","","","","","1.051","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214858","8.828","0.0005","10.9297","0.0006","12.2953","0.0011","105.494","0.004","98.381","0.004","105.396","0.003","1071.81","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N3 O6 S -","- C22 H18 Br N3 O6 S -","- C44 H36 Br2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0481","0.0369","","","0.0926","0.0969","","","","","","1.028","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214859","19.768","0.017","6.917","0.006","31.56","0.03","90","","100.693","0.012","90","","4240","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O6 S -","- C22 H18 Cl N3 O6 S -","- C176 H144 Cl8 N24 O48 S8 -","8","2","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.6889","synchrotron","","0.1874","0.1103","","","0.2314","0.2803","","","","","","1.094","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214860","10.8016","0.0003","20.9659","0.0006","9.2105","0.0002","90","","95.787","0.002","90","","2075.23","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C88 H72 F4 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0927","0.0568","","","0.117","0.1325","","","","","","1.067","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214861","11.5454","0.0005","9.2118","0.0004","19.8419","0.0009","90","","102.438","0.002","90","","2060.74","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O7 S -","- C22 H19 N3 O7 S -","- C88 H76 N12 O28 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.1301","0.0506","","","0.0839","0.1044","","","","","","0.956","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214862","8.0433","0.0007","11.0546","0.0008","13.8361","0.0011","99.6457","0.0038","106.649","0.0041","107.631","0.0042","1078.85","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 S -","- C22 H18 N4 O8 S -","- C44 H36 N8 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0834","0.0519","","","0.112","0.1251","","","","","","1.02","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214863","10.415","0.011","21.17","0.02","9.557","0.01","90","","100.053","0.013","90","","2075","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C88 H72 F4 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.6889","synchrotron","","0.1437","0.0952","","","0.2475","0.2938","","","","","","1.044","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214864","9.1121","0.0011","9.9763","0.0013","11.9501","0.0016","78.5115","0.0045","86.2011","0.0044","88.3753","0.0045","1062.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O8 S -","- C22 H21 N3 O8 S -","- C44 H42 N6 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.1032","0.0471","","","0.0923","0.107","","","","","","0.908","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214865","8.4985","0.0002","9.8813","0.0002","12.5408","0.0003","93.602","0.001","104.092","0.001","112.153","0.001","931.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 N7 O10 S2 -","- C40 H37 N7 O10 S2 -","- C40 H37 N7 O10 S2 -","1","0.5","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0929","0.0562","","","0.1316","0.1493","","","","","","1.071","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214866","9.4317","0.0002","11.394","0.0003","20.4344","0.0004","90","","99.979","0.001","90","","2162.76","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C92 H84 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0881","0.052","","","0.1085","0.1255","","","","","","0.994","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214867","6.7753","0.0003","11.4738","0.0004","13.7702","0.0006","80.079","0.002","81.802","0.002","76.925","0.002","1021.12","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0498","0.0358","","","0.093","0.0985","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214868","9.5744","0.0012","10.4949","0.0016","12.5497","0.0016","66.362","0.005","73.077","0.004","75.292","0.005","1091.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C46 H42 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71075","MoKα","","0.1177","0.0651","","","0.1345","0.1605","","","","","","1.033","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214869","11.519","0.002","12.573","0.002","21.345","0.004","85.877","0.003","76.069","0.004","74.179","0.004","2886.7","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Ce2 Cu3 N12 O95 Si2 W22 -","- C18 H60 Ce2 Cu3 N12 O95 Si2 W22 -","- C18 H60 Ce2 Cu3 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0783","0.0578","","","0.1473","0.1572","","","","","","1.022","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214870","11.4614","0.0019","12.537","0.002","21.337","0.003","86.035","0.003","76.034","0.003","74.011","0.003","2860.2","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 O96 Pr2 Si2 W22 -","- C18 H60 Cu3 N12 O96 Pr2 Si2 W22 -","- C18 H60 Cu3 N12 O96 Pr2 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0882","0.0603","","","0.143","0.1516","","","","","","1.02","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214871","11.44","0.006","12.59","0.007","21.23","0.012","85.652","0.011","76.025","0.01","73.8","0.011","2849","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 Nd2 O96 Si2 W22 -","- C18 H60 Cu3 N12 Nd2 O96 Si2 W22 -","- C18 H60 Cu3 N12 Nd2 O96 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.177","0.1103","","","0.2068","0.2197","","","","","","1.065","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214872","11.439","0.003","12.594","0.004","21.357","0.006","85.723","0.006","75.892","0.006","73.965","0.007","2867.8","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 O96 Si2 Sm2 W22 -","- C18 H60 Cu3 N12 O96 Si2 Sm2 W22 -","- C18 H60 Cu3 N12 O96 Si2 Sm2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1298","0.071","","","0.1493","0.1627","","","","","","1.054","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214873","11.3868","0.0011","12.5373","0.0012","21.279","0.002","85.419","0.002","75.718","0.002","74.056","0.002","2830.4","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 Eu2 N12 O96 Si2 W22 -","- C18 H60 Cu3 Eu2 N12 O96 Si2 W22 -","- C18 H60 Cu3 Eu2 N12 O96 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1062","0.0709","","","0.1464","0.1566","","","","","","1.045","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214874","11.383","0.005","12.571","0.006","21.312","0.01","85.704","0.008","75.841","0.009","73.988","0.009","2842","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Cu3 Gd2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Gd2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Gd2 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.115","0.0784","","","0.1686","0.1795","","","","","","1.021","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214875","11.3793","0.001","12.5601","0.0011","21.3419","0.0018","85.533","0.002","75.628","0.002","74.182","0.002","2842.8","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H96 Cu3 N12 O94 Si2 Tb2 W22 -","- C18 H60 Cu3 N12 O94 Si2 Tb2 W22 -","- C18 H60 Cu3 N12 O94 Si2 Tb2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0825","0.0621","","","0.1524","0.1581","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214876","11.363","0.006","12.518","0.005","21.355","0.004","85.392","0.006","75.32","0.003","74.299","0.003","2828.6","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H96 Cu3 Dy2 N12 O94 Si2 W22 -","- C18 H60 Cu3 Dy2 N12 O94 Si2 W22 -","- C18 H60 Cu3 Dy2 N12 O94 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1421","0.1045","","","0.2307","0.2432","","","","","","1.031","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214877","11.33","0.002","12.531","0.002","21.364","0.004","85.211","0.003","75.145","0.003","74.548","0.003","2825.5","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Cu3 Er2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Er2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Er2 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1197","0.0876","","","0.1728","0.181","","","","","","1.041","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214878","12.313","0.002","22.626","0.005","34.702","0.007","90","","90","","90","","9668","3","298","2","298","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 N12 O22 Sm Zn6 -","- C40 H28 Cl3 N12 O22 Sm Zn6 -","- C320 H224 Cl24 N96 O176 Sm8 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","0.71073","MoKα","","0.0787","0.0606","","","0.2122","0.2352","","","","","","1.051","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214879","12.284","0.002","22.733","0.004","34.4","0.006","90","","90","","90","","9606","3","173","2","173","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 Eu N12 O22 Zn6 -","- C40 H28 Cl3 Eu N12 O22 Zn6 -","- C320 H224 Cl24 Eu8 N96 O176 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","1.54178","CuKα","","0.0512","0.0499","","","0.1629","0.1651","","","","","","1.062","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214880","12.1678","0.0005","22.691","0.0008","34.3938","0.0014","90","","90","","90","","9496.1","0.6","173","2","173","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 N12 O22 Tb Zn6 -","- C40 H28 Cl3 N12 O22 Tb Zn6 -","- C320 H224 Cl24 N96 O176 Tb8 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","1.54178","CuKα","","0.0525","0.0493","","","0.1634","0.1701","","","","","","0.981","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214881","13.573","0.0018","11.7732","0.0016","12.9248","0.0017","90","","117.653","0.001","90","","1829.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O14 S Tb Zn -","- C10 H16 N3 O14 S Tb Zn -","- C40 H64 N12 O56 S4 Tb4 Zn4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","0.71073","MoKα","","0.031","0.0258","","","0.0572","0.0626","","","","","","1.089","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214882","7.9573","0.0003","16.6249","0.0005","20.7201","0.0007","90","","96.423","0.003","90","","2723.84","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 K O3 -","- C10 H8 Cl4 K O3 -","- C80 H64 Cl32 K8 O24 -","8","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0567","","","","0.1576","","","","","","1.126","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214883","4.0571","0.0001","16.5931","0.0004","20.7334","0.0004","90","","96.925","0.002","90","","1385.59","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 K O3 -","- C10 H8 Cl4 K O3 -","- C40 H32 Cl16 K4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0387","","","","0.1033","","","","","","1.016","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214884","3.7932","0.0002","16.7161","0.0006","8.8555","0.0003","90","","100.817","0.004","90","","551.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H7 Cl4 N2 O2 -","- C8 H7 Cl4 N2 O2 -","- C16 H14 Cl8 N4 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0703","","","","0.1931","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214885","6.919","0.003","21.908","0.01","14.415","0.005","90","","112.974","0.017","90","","2011.7","1.5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F6 N4 O P S -","- C18 H15 F6 N4 O P S -","- C72 H60 F24 N16 O4 P4 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.1414","0.0752","","","0.1866","0.2124","","","","","","0.848","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214886","9.325","0.008","10.985","0.009","11.008","0.009","99.61","0.011","105.84","0.01","109.486","0.012","980.4","1.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Br Cl N4 O6 S -","- C17 H14 Br Cl N4 O6 S -","- C34 H28 Br2 Cl2 N8 O12 S2 -","2","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.124","0.0782","","","0.2234","0.2969","","","","","","1.061","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214887","15.333","0.011","8.37","0.008","17.857","0.013","90","","111.57","0.03","90","","2131","3","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br Cl N4 O5 S -","- C19 H16 Br Cl N4 O5 S -","- C76 H64 Br4 Cl4 N16 O20 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0614","0.0487","","","0.1275","0.133","","","","","","0.987","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214888","7.562","0.002","14.037","0.004","22.806","0.007","90","","105.568","0.004","90","","2332","1.2","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Hg I2 N4 O2 S -","- C19 H18 Hg I2 N4 O2 S -","- C76 H72 Hg4 I8 N16 O8 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0589","0.0345","","","0.063","0.0675","","","","","","0.79","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214889","7.6661","0.0011","24.296","0.003","14.8623","0.0016","90","","116.268","0.005","90","","2482.3","0.6","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br Hg I2 N5 O S -","- C20 H16 Br Hg I2 N5 O S -","- C80 H64 Br4 Hg4 I8 N20 O4 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0574","0.0381","","","0.0816","0.0862","","","","","","0.883","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214890","9.8723","0.0008","9.9382","0.0008","10.7007","0.0016","91.615","0.002","102.813","0.002","119.47","0.001","879.54","0.17","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H20 Cl2 Hg2 N8 O8 S2 -","- C34 H20 Cl2 Hg2 N8 O8 S2 -","- C34 H20 Cl2 Hg2 N8 O8 S2 -","1","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0664","0.0336","","","0.0424","0.0471","","","","","","0.738","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214891","8.186","0.0014","10.3316","0.0017","12.858","0.002","109.506","0.002","93.424","0.002","102.044","0.002","992.6","0.3","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","1","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0603","0.0387","","","0.0937","0.0991","","","","","","0.91","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214892","25.896","0.005","9.8455","0.0019","18.182","0.003","90","","110.564","0.002","90","","4340.3","1.4","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Br2 La N11 O11 S2 -","- C38 H30 Br2 La N11 O11 S2 -","- C152 H120 Br8 La4 N44 O44 S8 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0278","0.0239","","","0.0602","0.0613","","","","","","1.026","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214893","18.229","0.005","18.329","0.005","19.533","0.005","62.294","0.003","76.676","0.004","68.31","0.004","5355","2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H82 Cl4 Fe2 N24 O23 S6 -","- C106 H82 Cl4 Fe2 N24 O23 S6 -","- C212 H164 Cl8 Fe4 N48 O46 S12 -","2","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.1827","0.1154","","","0.3431","0.3682","","","","","","1.075","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214894","20.215","0.0011","20.9756","0.0012","33.84","0.0019","90","","90","","90","","14348.9","1.4","291","2","291","2","","","","","","","","8","I 21 21 21","I 2b 2c","24","","","","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C452 H436 F144 N96 O60 P24 Ru12 S12 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.108","0.0567","","","0.1244","0.1359","","","","","","0.962","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214895","8.4762","0.0009","15.787","0.002","8.3158","0.0011","90","","97.21","0.01","90","","1104","0.2","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","molecular complex of bromoform with cyclohexanone (1:1)","","- C7 H11 Br3 O -","- C7 H11 Br3 O -","- C28 H44 Br12 O4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.073","0.0379","","","0.0826","0.0923","","","","","","1.01","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214896","7.9562","0.0008","9.6768","0.0009","12.0633","0.0017","90","","94.923","0.011","90","","925.33","0.18","225","","225","","","","","","","","","5","C 1 c 1","C -2yc","9","","molecular complex of bromoform with dimethylsulfoxide (1:1)","","- C3 H7 Br3 O S -","- C3 H7 Br3 O S -","- C12 H28 Br12 O4 S4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","","0.7107","MoKα","Mo","0.1038","0.0833","","","0.2103","0.2358","","","","","","1.036","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214897","4.1771","0.0003","19.2999","0.0016","6.0082","0.0005","90","","106.732","0.01","90","","463.86","0.07","160","","160","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0208","0.0182","","","0.0449","0.0457","","","","","","1.114","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214898","4.2028","0.0004","19.3569","0.0018","6.0247","0.0005","90","","106.761","0.01","90","","469.31","0.08","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0212","","","0.0506","0.0516","","","","","","1.069","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214899","4.2311","0.0005","19.421","0.002","6.0413","0.0006","90","","106.76","0.01","90","","475.34","0.09","240","","240","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0283","0.0244","","","0.0595","0.0614","","","","","","1.064","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214900","6.566","0.002","10.457","0.003","17.386","0.005","90","","90","","90","","1193.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 B Cu F4 N7 O -","- C6 H10 B Cu F4 N7 O -","- C24 H40 B4 Cu4 F16 N28 O4 -","4","1","","Boland, Yves; Tinant, Bernard; Safin, Damir A.; Marchand-Brynaert, Jacqueline; Clérac, Rodolphe; Garcia, Yann","A metal‒organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand","CrystEngComm","2012","14","23","8153","","10.1039/c2ce26257f","","","0.71069","MoKα","","0.0438","0.0396","","","0.0986","0.1013","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214901","7.7051","0.0011","8.2473","0.0012","18.664","0.003","90","","90","","90","","1186","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0208","0.0198","","","0.044","0.0445","","","","","","0.979","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214902","7.6961","0.0015","8.2458","0.0017","18.737","0.004","90","","90","","90","","1189.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N2 O8 Tb -","- C8 H11 N2 O8 Tb -","- C32 H44 N8 O32 Tb4 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0299","0.0278","","","0.0604","0.0612","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214903","7.7735","0.0018","8.2482","0.0019","18.816","0.004","90","","90","","90","","1206.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Eu N2 O8 -","- C8 H11 Eu N2 O8 -","- C32 H44 Eu4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0286","0.0281","","","0.0672","0.0674","","","","","","1.127","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214904","7.7305","0.001","8.2593","0.0011","18.791","0.003","90","","90","","90","","1199.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Gd N2 O8 -","- C8 H11 Gd N2 O8 -","- C32 H44 Gd4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0164","0.0161","","","0.0411","0.0412","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214905","7.7028","0.001","8.2418","0.001","18.692","0.002","90","","90","","90","","1186.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0384","0.0376","","","0.095","0.0955","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214906","15.2093","0.0005","11.5727","0.0004","15.7952","0.0004","90","","93.599","0.002","90","","2774.67","0.15","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H59 Ce N28 O31 -","- C39 H50 Ce N28 O31 -","- C78 H100 Ce2 N56 O62 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0735","0.0718","","","0.1949","0.1961","","","","","","1.073","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214907","34.5703","0.0011","21.2363","0.0006","21.7315","0.0005","90","","127.191","0.0015","90","","12709.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Ce2 N56 O69 -","- C84 H110 Ce2 N56 O69 -","- C336 H440 Ce8 N224 O276 -","4","0.5","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0667","0.0552","","","0.1641","0.1713","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214908","14.7871","0.0001","26.7248","0.0003","16.7471","0.0002","90","","90.3591","0.0005","90","","6618.03","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H75 N28 O37 S Yb -","- C41 H51 N28 O37 S Yb -","- C164 H204 N112 O148 S4 Yb4 -","4","2","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0609","0.0567","","","0.1517","0.1542","","","","","","1.087","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214909","25.4155","0.0002","18.8099","0.0002","29.8228","0.0003","90","","93.6325","0.0006","90","","14228.5","0.2","150","2","150","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C164 H312 Dy5 N115 O163 S4 -","- C164 H185 Dy5 N115 O163 S4 -","- C328 H370 Dy10 N230 O326 S8 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0707","0.0666","","","0.1868","0.1901","","","","","","1.046","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214910","14.2583","0.0007","15.0998","0.0004","25.1467","0.0012","90.052","0.003","90.186","0.002","116.19","0.003","4858.2","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H228 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","1","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0684","0.0607","","","0.1545","0.1607","","","","","","1.027","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214911","14.6622","0.0012","17.3679","0.0014","20.5165","0.0017","66.9042","0.001","77.86","0.002","68.1339","0.001","4447.4","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H136 Cl2 Mn7 N4 O54 -","- C144 H136 Cl2 Mn7 N4 O54 -","- C144 H136 Cl2 Mn7 N4 O54 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.068","0.0448","","","0.09","0.0943","","","","","","1.02","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214912","14.8661","0.001","17.8974","0.0012","20.5741","0.0014","67.25","0.001","77.738","0.002","67.815","0.001","4660.3","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H164 Cd7 Cl2 N4 O54 -","- C144 H136 Cd7 Cl2 N4 O54 -","- C144 H136 Cd7 Cl2 N4 O54 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.0477","0.037","","","0.0758","0.078","","","","","","1.063","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214913","15.2234","0.0012","17.3461","0.0012","20.4722","0.0016","67.071","0.001","76.394","0.002","64.9","0.001","4492.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H168 Co7 N4 O57 -","- C144 H138 Co7 N4 O57 -","- C144 H138 Co7 N4 O57 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.058","0.0419","","","0.0835","0.087","","","","","","1.046","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214914","8.636","0.0006","35.5231","0.0014","17.7388","0.0012","90","","92.067","0.003","90","","5438.3","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H106 Cl2 Co4 N6 O29 -","- C84 H96 Cl2 Co4 N6 O31 -","- C168 H192 Cl4 Co8 N12 O62 -","2","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.0739","0.0504","","","0.0915","0.0956","","","","","","1.1","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214915","10.487","0.002","11.16","0.002","12.296","0.003","99.54","0.03","98.62","0.03","90.56","0.03","1402.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 Cd N8 O5.75 -","- C29 H19 Cd N8 O5.75 -","- C58 H38 Cd2 N16 O11.5 -","2","1","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0622","0.0538","","","0.1711","0.181","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214916","17.194","0.003","12.05","0.002","22.453","0.005","90","","95.42","0.03","90","","4631.2","1.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H74 N28 O24 Zn3 -","- C92 H56 N28 O24 Zn3 -","- C184 H112 N56 O48 Zn6 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.1193","0.0705","","","0.204","0.2318","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214917","10.346","0.002","11.139","0.002","13.478","0.003","66.01","0.03","84.96","0.03","76.27","0.03","1378.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cd N6 O8 S -","- C28 H16 Cd N6 O8 S -","- C56 H32 Cd2 N12 O16 S2 -","2","1","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0364","0.0321","","","0.0958","0.1032","","","","","","1.198","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214918","12.805","0.003","5.3901","0.0011","10.848","0.002","90","","100.58","0.03","90","","736","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N6 O6 Zn -","- C14 H12 N6 O6 Zn -","- C28 H24 N12 O12 Zn2 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0299","0.0249","","","0.0578","0.0597","","","","","","1.06","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214919","32.7209","0.0015","19.4444","0.0009","32.739","0.002","90","","115.904","0.002","90","","18737","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Ca2 Cl4 N20 O11 -","- C30 H30 Ca2 Cl3.9985 N20 O11 -","- C480 H480 Ca32 Cl63.976 N320 O176 -","16","2","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.1753","0.1015","","","0.2591","0.2911","","","","","","1.097","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214920","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H68 N20 O29 -","- C44 H42 N20 O16 -","- C88 H84 N40 O32 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0496","0.0466","","","0.1282","0.1303","","","","","","1.08","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214921","14.7327","0.0018","14.7327","0.0018","46.389","0.011","90","","90","","120","","8720","3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C37 H68 Ca Cl2 N20 O29 -","- C37 H36 Ca Cl2 N20 O17 -","- C222 H216 Ca6 Cl12 N120 O102 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0825","0.0762","","","0.2124","0.2189","","","","","","1.032","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214922","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H40 N25 O20 -","- C44 H42 N20 O33 -","- C88 H84 N40 O66 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0652","0.0606","","","0.1823","0.1874","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214923","25.4025","0.0002","25.4025","0.0002","46.8244","0.0004","90","","90","","90","","30215.2","0.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C1008 H1328 Cl64 N160 O56 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0655","0.0446","","","0.1157","0.1247","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214924","25.6733","0.001","25.6733","0.001","47.043","0.004","90","","90","","90","","31007","3","150","2","150","2","","","","","","","","9","I -4 2 d","I -4 2bw","122","","","","- C64 H83.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C64 H82.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C1024 H1320 Br64 Cl16 N168 O48 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0639","0.0452","","","0.1117","0.1267","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214925","25.7484","0.0008","22.6562","0.0006","27.7603","0.0008","90","","98.9677","0.0011","90","","15996.3","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H73 Cl9 I4 N8 Pt2 S4 Zn2 -","- C60.5 H73 Cl9 I4 N8 Pt2 S4 Zn2 -","- C484 H584 Cl72 I32 N64 Pt16 S32 Zn16 -","8","2","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0842","0.0419","","","0.096","0.1144","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214926","27.54","0.003","19.1614","0.0017","16.0561","0.0015","90","","119.272","0.001","90","","7391","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 N10 O11 Pt2 S4 Zn2 -","- C60 H64 N10 O11 Pt2 S4 Zn2 -","- C240 H256 N40 O44 Pt8 S16 Zn8 -","4","0.5","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0636","0.0469","","","0.1383","0.1564","","","","","","1.127","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214927","25.4591","0.0007","25.4591","0.0007","46.7498","0.0013","90","","90","","90","","30301.6","1.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C65 H86 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C65 H85 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C1040 H1360 Cl64 N176 O56 Pd32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0958","0.0782","","","0.1553","0.1621","","","","","","1.261","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214928","10.46","0.005","11.536","0.005","42.364","0.019","90","","90","","90","","5112","4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C224 H256 O96 -","16","2","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.0867","0.0513","","","0.117","0.1352","","","","","","1.025","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214929","10.4043","0.0017","13.72","0.002","10.3515","0.0017","90","","118.031","0.003","90","","1304.3","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.128","0.0852","","","0.1454","0.1581","","","","","","1.224","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214930","5.8919","0.0012","11.934","0.002","16.684","0.003","73.06","0.03","87.16","0.03","76.67","0.03","1091.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Cd Cl2 N4 S2 -","- C15 H28 Cd Cl2 N4 S2 -","- C30 H56 Cd2 Cl4 N8 S4 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0372","0.0325","","","0.1067","0.1132","","","","","","1.175","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214931","7.3432","0.0015","9.2378","0.0018","14.238","0.003","103.57","0.03","99.86","0.03","98.14","0.03","908.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br2 Cd N4 S2 -","- C14 H12 Br2 Cd N4 S2 -","- C28 H24 Br4 Cd2 N8 S4 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0418","0.0322","","","0.0855","0.0907","","","","","","1.121","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214932","5.8896","0.0012","13.286","0.003","17.001","0.003","85.77","0.03","81.61","0.03","87.58","0.03","1311.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cd2 Cl0 N8 S8 -","- C16 H10 Cd2 N8 S8 -","- C32 H20 Cd4 N16 S16 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0419","0.0322","","","0.0787","0.0819","","","","","","1.103","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214933","10.999","0.002","16.628","0.003","5.1034","0.001","90","","90","","90","","933.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H10 Br2 Cd N4 S4 -","- C12 H10 Br2 Cd N4 S4 -","- C24 H20 Br4 Cd2 N8 S8 -","2","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0219","0.0197","","","0.0414","0.042","","","","","","1.15","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214934","8.4933","0.0017","10.509","0.002","11.826","0.002","81.38","0.03","73.21","0.03","70.39","0.03","950.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cd N5 S5 -","- C13 H9 Cd N5 S5 -","- C26 H18 Cd2 N10 S10 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.032","0.0274","","","0.0612","0.0669","","","","","","1.116","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214935","5.7769","0.0012","7.817","0.0018","13.529","0.003","90.857","0.014","100.574","0.013","106.749","0.013","573.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1275","0.0554","","","0.1055","0.1307","","","","","","1.004","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214936","3.9462","0.0002","28.9809","0.0011","5.2402","0.0002","90","","95.337","0.002","90","","596.69","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0532","0.0496","","","0.1323","0.1371","","","","","","1.061","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214937","7.2328","0.0004","11.2111","0.0005","17.3601","0.0007","90","","98.222","0.003","90","","1393.22","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O5 -","- C14 H16 N2 O5 -","- C56 H64 N8 O20 -","4","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1092","0.0454","","","0.083","0.0996","","","","","","1.001","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214938","8.1294","0.0002","11.4747","0.0002","15.7778","0.0003","95.479","0.001","102.802","0.001","90.992","0.001","1427.53","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Ag4 N12 O24 -","- C56 H48 Ag4 N12 O24 -","- C56 H48 Ag4 N12 O24 -","1","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0572","0.033","","","0.0558","0.0623","","","","","","1.005","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214939","5.287","0.0001","9.2477","0.0002","15.5312","0.0003","76.306","0.001","85.897","0.001","89.384","0.001","735.87","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag2 N6 O12 -","- C28 H24 Ag2 N6 O12 -","- C28 H24 Ag2 N6 O12 -","1","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0324","0.0256","","","0.0614","0.0645","","","","","","1.072","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214940","31.2148","0.0004","5.5693","0.0001","16.1812","0.0003","90","","99.665","0.001","90","","2773.09","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Ag Cl N4 O10 -","- C28 H24 Ag Cl N4 O10 -","- C112 H96 Ag4 Cl4 N16 O40 -","4","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0453","0.0327","","","0.0898","0.1002","","","","","","1.049","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214941","7.3871","0.0001","11.6594","0.0001","20.3813","0.0003","88.704","0.001","79.752","0.001","79.092","0.001","1696.1","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Ag Cl N6 O10 -","- C32 H30 Ag Cl N6 O10 -","- C64 H60 Ag2 Cl2 N12 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1102","0.0445","","","0.0934","0.1155","","","","","","1.003","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214942","8.1757","0.0001","9.9244","0.0002","18.2818","0.0004","84.183","0.001","87.78","0.001","67.182","0.001","1360.24","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag N5 O9 -","- C28 H24 Ag N5 O9 -","- C56 H48 Ag2 N10 O18 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0777","0.0401","","","0.0817","0.0947","","","","","","1.008","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214943","8.5792","0.0002","10.5968","0.0002","17.2908","0.0004","82.52","0.001","89.791","0.001","89.693","0.001","1558.54","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Ag Cl N5 O10 -","- C30 H27 Ag Cl N5 O10 -","- C60 H54 Ag2 Cl2 N10 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.054","0.0371","","","0.0874","0.0973","","","","","","1.022","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214944","10.9516","0.0012","11.4924","0.0015","12.3178","0.0012","97.684","0.01","115.89","0.007","91.832","0.01","1375.1","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Ag Cl N6 O10 -","- C26 H22 Ag Cl N6 O10 -","- C52 H44 Ag2 Cl2 N12 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0445","0.0334","","","0.0802","0.0873","","","","","","1.044","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214945","10.8318","0.0016","11.5968","0.0012","12.2368","0.0015","98.53","0.009","115.595","0.009","91.721","0.009","1363.3","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag B F4 N6 O6 -","- C26 H22 Ag B F4 N6 O6 -","- C52 H44 Ag2 B2 F8 N12 O12 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1255","0.0542","","","0.092","0.1162","","","","","","1.026","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214946","11.1676","0.0015","11.3893","0.0018","12.6805","0.0012","80.868","0.01","63.9","0.009","88.796","0.012","1427.9","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O6 P -","- C26 H22 Ag F6 N6 O6 P -","- C52 H44 Ag2 F12 N12 O12 P2 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0772","0.0405","","","0.0801","0.0943","","","","","","1.011","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214947","5.4242","0.0011","7.3161","0.0015","17.917","0.004","99.69","0.03","94.01","0.03","103.93","0.03","675.7","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form 1 of 1:1 nicotinamide and pimelic acid","Form 1 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71073","MoKα","","0.0609","0.0554","","","0.1504","0.156","","","","","","1.144","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214948","9.29","0.007","31.04","0.02","4.981","0.004","90","","90","","90","","1436.3","1.8","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","Form 2 of 1:1 nicotinamide and pimelic acid","Form 2 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71075","MoKα","","0.0928","0.0792","","","0.2012","0.2164","","","","","","1.114","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214949","6.594","0.002","12.467","0.004","14.022","0.004","90","","90","","90","","1152.7","0.6","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Dy2 K2 N2 O20 -","- C18 H10 Dy2 K2 N2 O20 -","- C36 H20 Dy4 K4 N4 O40 -","2","0.5","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0365","0.0342","","","0.0952","0.0956","","","","","","1.095","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214950","6.571","0.0013","12.445","0.003","14.012","0.003","90","","90","","90","","1145.8","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 Er K N O10 -","- C9 H5 Er K N O10 -","- C36 H20 Er4 K4 N4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214951","14.12","0.003","12.545","0.003","6.6886","0.0013","90","","90","","90","","1184.8","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 K N Nd O10 -","- C9 H5 K N Nd O10 -","- C36 H20 K4 N4 Nd4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0279","0.0269","","","0.0703","0.0706","","","","","","1.111","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214952","14.7011","0.001","6.143","0.0003","16.075","0.001","90","","114.201","0.008","90","","1324.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O6 Zn -","- C14 H11 N O6 Zn -","- C56 H44 N4 O24 Zn4 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0525","0.0384","","","0.0848","0.0949","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214953","7.8575","0.0004","10.7958","0.0006","12.5902","0.0007","67.731","0.005","73.063","0.004","80.891","0.004","944.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N3 O7 Zn -","- C19 H20 N3 O7 Zn -","- C38 H40 N6 O14 Zn2 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0713","0.0537","","","0.1206","0.1342","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214954","7.6224","0.0005","11.3078","0.0006","13.4989","0.0006","65.261","0.005","74.349","0.005","83.501","0.005","1017.54","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N3 O7 Zn -","- C20 H22 N3 O7 Zn -","- C40 H44 N6 O14 Zn2 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0732","0.0555","","","0.1315","0.146","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214955","28.951","0.003","7.6653","0.0003","21.991","0.004","90","","128.355","0.018","90","","3827","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N4 O7.5 Zn -","- C18 H19 N4 O7.5 Zn -","- C144 H152 N32 O60 Zn8 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0834","0.0491","","","0.0813","0.0925","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214956","11.6011","0.0003","16.3324","0.0005","12.0354","0.0004","90","","93.807","0.003","90","","2275.36","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N3 O6 Zn -","- C26 H19 N3 O6 Zn -","- C104 H76 N12 O24 Zn4 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0575","0.039","","","0.0834","0.0931","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214957","11.4242","0.0003","16.2523","0.0004","12.0073","0.0004","90","","92.448","0.003","90","","2227.36","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cu N3 O6 -","- C26 H19 Cu N3 O6 -","- C104 H76 Cu4 N12 O24 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0516","0.0374","","","0.0809","0.0866","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214958","14.3716","0.0005","14.1848","0.0005","21.9961","0.0008","90","","106.675","0.004","90","","4295.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cd N3 O5 -","- C26 H17 Cd N3 O5 -","- C208 H136 Cd8 N24 O40 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0429","0.0337","","","0.0725","0.0781","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214959","11.533","0.0006","14.292","0.0006","29.317","0.0008","92.071","0.003","90.977","0.003","103.047","0.004","4702.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C95 H90 Cd5 N15 O30 -","- C95 H90 Cd5 N15 O30 -","- C190 H180 Cd10 N30 O60 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71069","MoKα","","0.0784","0.0436","","","0.1002","0.1238","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214960","23.4087","0.0008","9.5727","0.0002","18.3298","0.0006","90","","108.456","0.004","90","","3896.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Co N3 O7 -","- C19 H13 Co N3 O7 -","- C152 H104 Co8 N24 O56 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0627","0.0495","","","0.1265","0.137","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214961","9.6198","0.0005","10.3436","0.0006","10.9062","0.0006","68.259","0.005","85.928","0.004","86.388","0.004","1004.68","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N3 Ni O8 -","- C19 H20 N3 Ni O8 -","- C38 H40 N6 Ni2 O16 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0635","0.0459","","","0.1139","0.1265","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214962","12.7419","0.0004","12.7419","0.0004","14.2617","0.0009","90","","90","","90","","2315.47","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0245","0.0229","","","0.0575","0.0583","","","","","","1.015","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214963","12.6811","0.0004","12.6811","0.0004","14.2077","0.0008","90","","90","","90","","2284.74","0.16","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0339","0.0298","","","0.0703","0.0741","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214964","12.8487","0.0016","12.8487","0.0016","14.526","0.002","90","","90","","90","","2398.1","0.5","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0591","0.0533","","","0.1581","0.1625","","","","","","0.973","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214965","12.866","0.0003","12.866","0.0003","14.3888","0.0005","90","","90","","90","","2381.83","0.11","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0323","0.0296","","","0.0767","0.079","","","","","","1.025","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214966","12.783","0.002","12.783","0.002","14.358","0.005","90","","90","","90","","2346.2","1","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0816","0.0495","","","0.0915","0.1063","","","","","","0.975","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214967","12.5812","0.0008","12.5812","0.0008","14.2715","0.0017","90","","90","","90","","2259","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0741","0.0706","","","0.191","0.1932","","","","","","1.129","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214968","12.7455","0.0004","12.7455","0.0004","14.2641","0.0009","90","","90","","90","","2317.17","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0306","0.0286","","","0.0774","0.0795","","","","","","1.083","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214969","12.6871","0.0003","12.6871","0.0003","14.2044","0.0004","90","","90","","90","","2286.38","0.1","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C20 H18 N10 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0564","0.054","","","0.1322","0.1355","","","","","","1.129","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214970","12.8656","0.0006","12.8656","0.0006","14.5185","0.0013","90","","90","","90","","2403.2","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0385","0.035","","","0.088","0.0899","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214971","12.8616","0.0004","12.8616","0.0004","14.383","0.0006","90","","90","","90","","2379.25","0.14","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0443","0.0347","","","0.0764","0.0858","","","","","","1.029","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214972","12.8115","0.0014","12.8115","0.0014","14.325","0.003","90","","90","","90","","2351.2","0.6","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0449","0.0365","","","0.0815","0.0866","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214973","12.561","0.003","20.722","0.004","23.556","0.005","90","","99.26","0.03","90","","6051","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C144 H144 Co8 N96 O32 S8 -","8","2","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0753","0.0594","","","0.1782","0.1893","","","","","","1.077","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214974","26.859","0.004","12.2673","0.0018","17.083","0.003","90","","124.59","0.002","90","","4633.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Co3 N4 O17 -","- C50 H36 Co3 N4 O17 -","- C200 H144 Co12 N16 O68 -","4","0.5","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0397","0.0346","","","0.0959","0.0991","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214975","26.909","0.005","12.17","0.003","17.157","0.003","90","","124.694","0.003","90","","4619.6","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N4 O17 Zn3 -","- C50 H36 N4 O17 Zn3 -","- C200 H144 N16 O68 Zn12 -","4","0.5","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0738","0.0477","","","0.0835","0.0885","","","","","","1.006","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214976","18.833","0.005","13.696","0.003","30.322","0.008","90","","107.039","0.005","90","","7478","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H29 N4 O7 Zn -","- C44 H29 N4 O7 Zn -","- C352 H232 N32 O56 Zn8 -","8","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0786","0.0494","","","0.0996","0.1077","","","","","","0.842","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214977","10.239","0.01","14.746","0.006","16.5153","0.0016","93.983","0.0015","101.479","0.0015","105.624","0.0015","2333","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O12 Zn2 -","- C48 H36 N4 O12 Zn2 -","- C96 H72 N8 O24 Zn4 -","2","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.1603","0.0965","","","0.2092","0.2239","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214978","14.2461","0.0016","21.754","0.003","11.6482","0.0013","90","","95.942","0.002","90","","3590.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd N4 O8 -","- C40 H32 Cd N4 O8 -","- C160 H128 Cd4 N16 O32 -","4","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0529","0.0479","","","0.1385","0.1428","","","","","","1.087","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214979","14.0498","0.0012","20.914","0.0017","11.6127","0.0009","90","","94.684","0.002","90","","3400.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N4 Ni O7 -","- C40 H30 N4 Ni O7 -","- C160 H120 N16 Ni4 O28 -","4","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0631","0.0547","","","0.1612","0.1677","","","","","","1.076","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214980","15.273","0.002","21.836","0.003","16.089","0.002","90","","101.622","0.004","90","","5255.7","1.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 N46 O59 Sm2 -","- C66 H66 N46 O51 Sm2 -","- C132 H132 N92 O102 Sm4 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0546","0.0474","","","0.1385","0.1426","","","","","","1.077","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214981","14.465","0.005","14.465","0.003","45.866","0.012","90","","90","","120","","8311","4","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H64 Cl Er N22 O32 -","- C36 H36 Cl Er N22 O22 -","- C216 H216 Cl6 Er6 N132 O132 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0379","0.0368","","","0.0944","0.0948","","","","","","1.079","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214982","20.3","0.005","13.551","0.003","20.469","0.005","90","","90","","90","","5631","2","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H64 Cl La N22 O32 -","- C36 H36 Cl La N22 O22 -","- C144 H144 Cl4 La4 N88 O88 -","4","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0515","0.0458","","","0.1419","0.147","","","","","","1.112","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214983","16.821","0.0012","18.5168","0.0013","24.5003","0.0017","106.175","0.002","100.333","0.002","101.696","0.002","6947.6","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H159 Cl6 Eu3 N43 O76 -","- C75 H75 Cl6 Eu3 N43 O44 -","- C150 H150 Cl12 Eu6 N86 O88 -","2","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0546","0.0463","","","0.1421","0.1488","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214984","17.065","0.005","18.41","0.005","24.35","0.006","105.555","0.003","100.01","0.004","102.267","0.004","6982","3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H182 Cl9 Gd3 N40 O80 -","- C66 H66 Cl9 Gd3 N40 O32 -","- C132 H132 Cl18 Gd6 N80 O64 -","2","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.1006","0.0642","","","0.1727","0.1884","","","","","","0.954","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214985","14.4478","0.0018","14.4478","0.0018","46.109","0.012","90","","90","","120","","8335","3","223","2","223","2","","","","","","","","5","P 61","P 61","169","","","","- C36 H62 Dy N23 O34 -","- C36 H36 Dy N23 O25 -","- C216 H216 Dy6 N138 O150 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0467","0.042","","","0.107","0.1091","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214986","14.499","0.004","14.499","","45.818","0.012","90","","90","","120","","8341","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H68 Cl3 N20 O28 Yb -","- C36 H36 Cl3 N20 O16 Yb -","- C216 H216 Cl18 N120 O96 Yb6 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0371","0.0358","","","0.0888","0.0893","","","","","","1.124","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214987","14.515","0.004","14.515","","45.826","0.013","90","","90","","120","","8361","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H74 Cl3 Lu N20 O29 -","- C36 H36 Cl3 Lu N20 O16 -","- C216 H216 Cl18 Lu6 N120 O96 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0725","0.0701","","","0.167","0.1684","","","","","","1.129","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214988","23.3223","0.0018","10.6962","0.0007","15.7966","0.0012","90","","111.051","0.009","90","","3677.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg N2 O14 Zn2 -","- C32 H30 Mg N2 O14 Zn2 -","- C128 H120 Mg4 N8 O56 Zn8 -","4","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0572","0.043","","","0.1234","0.1393","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214989","10.311","0.0004","18.4014","0.0013","14.3666","0.0009","90","","99.825","0.005","90","","2685.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Ca N2 O10 Zn -","- C24 H26 Ca N2 O10 Zn -","- C96 H104 Ca4 N8 O40 Zn4 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0773","0.0485","","","0.1077","0.1233","","","","","","1.028","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214990","10.4064","0.0005","18.5332","0.0009","14.4984","0.0008","90","","100.153","0.005","90","","2752.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O10 Sr Zn -","- C24 H26 N2 O10 Sr Zn -","- C96 H104 N8 O40 Sr4 Zn4 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0597","0.0424","","","0.1225","0.1357","","","","","","0.936","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214991","15.1637","0.0006","19.0644","0.0006","12.6634","0.0005","90","","112.767","0.005","90","","3375.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ba N2 O16 Zn2 -","- C30 H16 Ba N2 O16 Zn2 -","- C120 H64 Ba4 N8 O64 Zn8 -","4","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0323","0.0259","","","0.0633","0.067","","","","","","1.023","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214992","5.399","0.0001","15.755","0.0004","20.698","0.0005","90","","90","","90","","1760.6","0.07","298","2","298","2","","","","","","","Crystal Screening","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen phthalate","","- C16 H17 N3 O7 S -","- C16 H17 N3 O7 S -","- C64 H68 N12 O28 S4 -","4","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","0.71073","MoKα","","0.0566","0.0387","","","0.0958","0.1042","","","","","","1.022","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214993","12.7246","0.0012","5.2978","0.0003","13.1688","0.0009","90","","106.129","0.008","90","","852.8","0.12","107.4","0.2","107.4","0.2","","","","","","","Crystal Screening","5","P 1 21 1","P 2yb","4","lamivudine salicylate monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one salicylate monohydrate","","- C15 H19 N3 O7 S -","- C15 H19 N3 O7 S -","- C30 H38 N6 O14 S2 -","2","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","1.54184","CuKα","","0.0598","0.0429","","","0.0933","0.1063","","","","","","1.064","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214994","18.007","0.003","18.007","0.003","19.288","0.004","90","","90","","120","","5416.3","1.7","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H48 Cd3 K N6 O15 -","- C72 H48 Cd3 K N6 O15 -","- C144 H96 Cd6 K2 N12 O30 -","2","0.166667","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0746","0.0619","","","0.1541","0.162","","","","","","1.11","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214995","14.498","0.003","14.899","0.003","17.473","0.004","90","","90","","90","","3774.3","1.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","1","0.125","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0599","0.0458","","","0.1393","0.1473","","","","","","1.108","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214996","6.1603","0.0001","6.3726","0.0002","17.9756","0.0005","97.743","0.002","99.269","0.002","96.969","0.002","682.69","0.03","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N10 O6 Se -","- C4 H16 N10 O6 Se -","- C8 H32 N20 O12 Se2 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0223","0.0221","","","0.0763","0.0765","","","","1.87","1.87","1.86","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214997","6.1197","0.0002","6.341","0.0002","17.7076","0.0006","99.528","0.003","98.22","0.003","96.967","0.003","663.26","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N10 O6 S -","- C4 H16 N10 O6 S -","- C8 H32 N20 O12 S2 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0315","0.027","","","0.0824","0.0848","","","","1.8","1.8","1.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214998","6.0701","0.0001","24.6727","0.0006","8.1489","0.0002","90","","93.766","0.002","90","","1217.79","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 Cl N5 O0.5 -","- C2 H7 Cl N5 O0.5 -","- C16 H56 Cl8 N40 O4 -","8","2","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0298","0.029","","","0.0764","0.0771","","","","","","1.038","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214999","5.3075","0.0002","7.5977","0.0004","9.161","0.0005","74.424","0.005","84.547","0.004","83.648","0.004","352.84","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl2 N10 O8 -","- C2 H6 Cl N5 O4 -","- C4 H12 Cl2 N10 O8 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0284","0.0278","","","0.0741","0.0745","","","","","","1.064","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215000","8.1688","0.0001","11.4624","0.0002","7.7423","0.0001","90","","96.106","0.001","90","","720.83","0.018","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N5 O3 P -","- C2 H8 N5 O3 P -","- C8 H32 N20 O12 P4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0286","0.0281","","","0.0714","0.0718","","","","","","0.883","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215001","9.5195","0.0001","9.1","0.0001","7.4127","0.0001","90","","95.988","0.001","90","","638.64","0.013","120","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 N44 O12 -","- C2 H6 N6 O3 -","- C8 H24 N24 O12 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0293","0.0281","","","0.0769","0.0781","","","","","","1.117","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215002","13.3492","0.0004","37.1096","0.0012","6.0702","0.0002","90","","90","","90","","3007.08","0.17","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C2 H8 N5 O4 P -","- C2 H8 N5 O4 P -","- C32 H128 N80 O64 P16 -","16","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.019","0.0189","","","0.0615","0.0617","","","","1.52","1.52","1.52","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215003","15.3484","0.0006","6.9216","0.0003","27.1086","0.0013","90","","99.924","0.004","90","","2836.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 N4 O8 Pb2 -","- C48 H24 N4 O8 Pb2 -","- C96 H48 N8 O16 Pb4 -","2","0.5","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.0592","0.0399","","","0.0921","0.0988","","","","","","1.037","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215004","11.1613","0.0009","24.1334","0.0012","20.5794","0.0015","90","","91.02","0.007","90","","5542.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Co N5 O10 Pb2 -","- C51 H31 Co N5 O10 Pb2 -","- C204 H124 Co4 N20 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.1526","0.0779","","","0.1556","0.1776","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215005","10.2406","0.0005","24.059","0.001","21.2577","0.0008","90","","93.328","0.004","90","","5228.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 N5 Ni O10 Pb2 -","- C51 H31 N5 Ni O10 Pb2 -","- C204 H124 N20 Ni4 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.1193","0.0858","","","0.1783","0.1888","","","","","","1.297","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215006","10.9008","0.0002","24.1824","0.0005","20.8565","0.0006","90","","91.678","0.002","90","","5495.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Cu N5 O10 Pb2 -","- C51 H31 Cu N5 O10 Pb2 -","- C204 H124 Cu4 N20 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.0802","0.0566","","","0.1317","0.141","","","","","","1.142","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215007","8.2432","0.0015","11.539","0.0018","16.397","0.002","100.295","0.012","90.639","0.013","107.891","0.015","1456.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N4 O11 Pb2 V -","- C48 H24 N4 O11 Pb2 V -","- C48 H24 N4 O11 Pb2 V -","1","0.5","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","1.54178","CuKα","","0.1097","0.0898","","","0.2043","0.2161","","","","","","1.006","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215008","9.0802","0.0018","11.246","0.002","19.815","0.006","90","","109.95","0.03","90","","1902","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C76 H80 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0905","0.063","","","0.1569","0.1805","","","","","","0.996","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215009","11.524","0.009","12.671","0.01","15.484","0.012","90","","100.353","0.016","90","","2224","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cd N4 O5 -","- C21 H24 Cd N4 O5 -","- C84 H96 Cd4 N16 O20 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.1047","0.0652","","","0.1547","0.1778","","","","","","0.976","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215010","7.3845","0.0008","9.6801","0.0011","16.41","0.002","86.573","0.001","84.202","0.001","83.407","0.001","1157.9","0.2","296","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N4 O7 Zn -","- C20 H28 N4 O7 Zn -","- C40 H56 N8 O14 Zn2 -","2","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0491","0.042","","","0.1092","0.1137","","","","","","1.096","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215011","8.7106","0.0009","10.4086","0.001","10.9644","0.0011","64.405","0.001","69.956","0.001","77.723","0.002","839.79","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cd N2 O5 -","- C16 H19 Cd N2 O5 -","- C32 H38 Cd2 N4 O10 -","2","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0239","0.0216","","","0.0482","0.0498","","","","","","1.049","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215012","11.413","0.009","17.212","0.013","11.724","0.009","90","","116.24","0.007","90","","2066","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cd N4 O5 -","- C19 H22 Cd N4 O5 -","- C76 H88 Cd4 N16 O20 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0254","0.0222","","","0.0706","0.073","","","","","","1.082","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215013","7.7981","0.0006","16.0351","0.0014","16.4278","0.0013","90","","103.243","0.001","90","","1999.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0459","0.0393","","","0.1001","0.1061","","","","","","1.029","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215014","20.517","0.0017","10.5876","0.0009","21.9335","0.0018","90","","105.419","0.001","90","","4593","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cd N4 O5 -","- C22 H26 Cd N4 O5.5 -","- C176 H208 Cd8 N32 O44 -","8","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0511","0.0399","","","0.1075","0.1179","","","","","","1.021","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215015","5.928","0.0006","18.465","0.002","14.208","0.001","90","","99.259","0.005","90","","1535","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPL4ABA","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.0672","0.0446","","","0.1287","0.1539","","","","","","1.131","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215016","5.9663","0.0006","27.045","0.003","9.4703","0.001","90","","107.008","0.002","90","","1461.3","0.3","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPLGA","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71073","MoKα","","0.0546","0.0445","","","0.1019","0.1067","","","","","","1.099","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215017","6.39","0.0004","10.078","0.0007","12.226","0.0008","81.714","0.003","82.039","0.003","76.597","0.003","753.37","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","GBPL4HBA","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.0726","0.0482","","","0.1193","0.13","","","","","","1.055","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215018","10.704","0.0003","6.011","0.0004","17.802","0.006","90","","101.372","0.003","90","","1122.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","GBPLFA","","","- C11 H18 N O3 -","- C11 H18 N O3 -","- C44 H72 N4 O12 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.1068","0.06","","","0.1771","0.2063","","","","","","1.11","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215019","28.368","0.006","11.144","0.002","16.695","0.003","90","","116.37","0.03","90","","4729","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 N14 Ni2 O15 -","- C42 H32 N14 Ni2 O15 -","- C168 H128 N56 Ni8 O60 -","4","0.5","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.1399","0.0808","","","0.1471","0.1712","","","","","","1.036","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215020","23.501","0.005","10.181","0.002","10.334","0.002","90","","90","","90","","2472.6","0.9","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C18 H23 Co2 N5 O13 -","- C18 H23 Co2 N5 O13 -","- C72 H92 Co8 N20 O52 -","4","","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0468","0.0435","","","0.0747","0.0758","","","","","","1.059","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215021","17.68","0.004","12.222","0.002","20.171","0.004","90","","95.86","0.03","90","","4335.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Co2 N10 O14 -","- C43 H38 Co2 N10 O14 -","- C172 H152 Co8 N40 O56 -","4","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.095","0.0686","","","0.1492","0.1627","","","","","","0.976","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215022","8.752","0.0018","10.915","0.002","11.035","0.002","76.85","0.03","77.91","0.03","67.61","0.03","940.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N5 Ni O8 -","- C17 H18 N5 Ni O8 -","- C34 H36 N10 Ni2 O16 -","2","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0636","0.0475","","","0.1176","0.1247","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215023","8.28","0.0017","28.059","0.006","16.424","0.003","90","","94.02","0.03","90","","3806.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Co2 N10 O12 -","- C32 H24 Co2 N10 O11.99 -","- C128 H96 Co8 N40 O47.96 -","4","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0851","0.0658","","","0.139","0.149","","","","","","0.963","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215024","5.5135","0.0002","8.1356","0.0003","47.2858","0.0014","90","","90","","90","","2121.03","0.13","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O2 S2 -","- C25 H26 O2 S2 -","- C100 H104 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.049","0.0477","","","0.1149","0.1157","","","","","","1.155","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215025","11.6776","0.0006","18.6014","0.001","13.2518","0.0007","90","","108.458","0.003","90","","2730.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cu N O2 S2 -","- C27 H26 Cl2 Cu N O2 S2 -","- C108 H104 Cl8 Cu4 N4 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0466","0.0395","","","0.1137","0.1175","","","","","","1.055","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215026","11.2153","0.0003","11.6948","0.0003","12.9855","0.0004","85.089","0.001","65.157","0.001","79.395","0.001","1519.11","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","1","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0348","0.0321","","","0.0864","0.0885","","","","","","1.062","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215027","36.215","0.004","13.9659","0.0014","28.036","0.005","90","","125.048","0.004","90","","11609","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C408 H432 Cl16 Cu32 I32 O32 S32 -","8","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0414","0.0363","","","0.0956","0.0993","","","","","","1.073","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215028","17.0726","0.0015","21.8272","0.0018","16.3027","0.0014","90","","110.571","0.004","90","","5687.8","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C204 H216 Cl8 Cu16 I16 O16 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0675","0.0496","","","0.1272","0.1403","","","","","","1.025","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215029","17.84","0.004","11.467","0.002","6.3458","0.0013","90","","101.743","0.003","90","","1271","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H30 Co3 N2 O20 P2 -","- C10 H30 Co3 N2 O20 P2 -","- C20 H60 Co6 N4 O40 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0563","0.0515","","","0.1404","0.1437","","","","","","1.063","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215030","6.705","0.0017","11.2932","0.0011","16.3878","0.0019","90","","90","","90","","1240.9","0.4","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cu3 N2 O16 P2 -","- C10 H22 Cu3 N2 O16 P2 -","- C20 H44 Cu6 N4 O32 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0451","0.0356","","","0.083","0.0858","","","","","","1.071","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215031","6.4427","0.0013","9.5515","0.0019","10.224","0.002","107.45","0.03","91.15","0.03","101.7","0.03","585.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe3 N4 O18 -","- C20 H18 Fe3 N4 O18 -","- C20 H18 Fe3 N4 O18 -","1","0.5","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.103","0.0792","","","0.2211","0.2358","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215032","6.6226","0.0013","9.657","0.0019","9.752","0.002","95.92","0.03","108.9","0.03","94.26","0.03","583.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cu2 N4 O16 -","- C20 H18 Cu2 N4 O16 -","- C20 H18 Cu2 N4 O16 -","1","0.5","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.0689","0.0456","","","0.1121","0.1242","","","","","","1.005","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215033","18.683","0.011","7.826","0.005","37.85","0.02","90","","90","","90","","5534","6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C56 H44 Cd2 N12 O20 -","- C56 H44 Cd2 N12 O20 -","- C224 H176 Cd8 N48 O80 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.1097","0.0779","","","0.1874","0.2439","","","","","","1.048","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215034","9.4252","0.0016","20.219","0.003","7.0187","0.0012","90","","108.742","0.002","90","","1266.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N5 O7 Zn -","- C10 H12 N5 O7 Zn -","- C40 H48 N20 O28 Zn4 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.0715","0.0422","","","0.0889","0.1016","","","","","","0.963","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215035","12.2626","0.0007","13.7872","0.0008","14.7405","0.0009","101.396","0.001","108.921","0.001","98.847","0.001","2246.3","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4- dihydrocarbostyril)","7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]- 3,4-dihydrocarbostyril]","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","2","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Babu, V. S. Phani; Jagadeesh, Bharatham; Ravikumar, Krishnan","Sixth polymorph of aripiprazole - an antipsychotic drug","CrystEngComm","2012","14","14","4677","","10.1039/c2ce25306b","","x-ray","0.71073","MoKα","","0.0576","0.0463","","","0.1188","0.1277","","","","","","1.026","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215036","15.213","0.003","16.59","0.002","23.677","0.003","90","","97.497","0.016","90","","5924.6","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co3(obc)3(bpy)2)(H2O)","","","- C62 H42 Co3 N4 O16 -","- C62 H40 Co3 N4 O16 -","- C248 H160 Co12 N16 O64 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.1002","0.0697","","","0.181","0.2036","","","","","","1.024","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215037","15.138","0.002","16.501","0.002","25.844","0.004","90","","91.021","0.002","90","","6454.6","1.5","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co3(obc)3(phen)2","","","- C66 H40 Co3 N4 O15 -","- C66 H40 Co3 N4 O15 -","- C264 H160 Co12 N16 O60 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.127","0.0599","","","0.1354","0.1692","","","","","","0.987","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215038","14.271","0.004","17.077","0.004","25.897","0.006","90","","92.986","0.011","90","","6303","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn3(obc)3(bpy)2","","","- C62 H40 Mn3 N4 O15 -","- C62 H40 Mn3 N4 O15 -","- C248 H160 Mn12 N16 O60 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.0665","0.0467","","","0.114","0.1343","","","","","","1.119","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215039","15.2012","0.0011","16.7136","0.0012","25.8544","0.0019","90","","90.26","0.001","90","","6568.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Mn3(obc)3(phen)2)(2H2O)","","","- C66 H44 Mn3 N4 O17 -","- C66 H40 Mn3 N4 O17 -","- C264 H160 Mn12 N16 O68 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.0697","0.0451","","","0.1111","0.124","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215040","15.163","0.005","16.373","0.004","23.383","0.005","90","","97.486","0.018","90","","5756","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Ni3(obc)3(bpy)2)(H2O)","","","- C62 H42 N4 Ni3 O16 -","- C62 H40 N4 Ni3 O16 -","- C248 H160 N16 Ni12 O64 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.1181","0.074","","","0.1867","0.2221","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215041","10.366","0.009","11.154","0.009","12.483","0.01","96.342","0.01","105.741","0.006","104.4","0.004","1320.8","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu4 I5 N5 -","- C16 H18 Cu4 I5 N5 -","- C32 H36 Cu8 I10 N10 -","2","1","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0698","0.0519","","","0.1311","0.1462","","","","","","0.99","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215042","31.754","0.012","10.712","0.004","21.206","0.008","90","","90","","90","","7213","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Br3 Cu6 N15 -","- C36 H24 Br3 Cu6 N15 -","- C288 H192 Br24 Cu48 N120 -","8","0.5","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0708","0.0633","","","0.1752","0.1831","","","","","","1.022","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215043","29.964","0.002","16.0632","0.0013","8.618","0.0007","90","","101.391","0.002","90","","4066.3","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H60 Co2 N12 O21 -","- C27 H58 Co2 N12 O21 -","- C108 H232 Co8 N48 O84 -","4","0.5","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Cheng, Yi-Ting; Chen, I-Hsuan; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","A hydrogen-bonded and π‒π assembled 3D supramolecular network, [Co(en)3]·1.5(C5O5), with 1D microporous hydrophilic channels showing reversible water ad/de-sorption property","CrystEngComm","2012","14","14","4637","","10.1039/c2ce25327e","","","0.71073","MoKα","","0.1024","0.0655","","","0.1641","0.1936","","","","","","1.081","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215076","11.9856","0.0003","18.2571","0.0003","9.0361","0.0002","90","","94.463","0.001","90","","1971.3","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-[(1H-indol-3-yl)(phenyl)methylene]-3H-indol","3-[(1H-indol-3-yl)(phenyl)methylene]-3H-indole","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","0.5","","Silveira, Claudio C.; Mendes, Samuel R.; Villetti, Marcos A.; Back, Davi F.; Kaufman, Teodoro S.","CeIII-promoted oxidation. Efficient aerobic one-pot eco-friendly synthesis of oxidized bis(indol-3-yl)methanes and cyclic tetra(indolyl)dimethanes","Green Chemistry","2012","14","10","2912","","10.1039/c2gc36131k","","","0.71073","MoKα","","0.0632","0.0528","","","0.157","0.1681","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215077","20.704","0.0005","12.3263","0.0003","21.8634","0.0005","90","","113.463","0.001","90","","5118.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tetra(indolyl)dimethane derivative","Tetra(indolyl)dimethane derivative 2 DMSO","","- C28 H30 N2 O2 S2 -","- C28 H30 N2 O2 S2 -","- C224 H240 N16 O16 S16 -","8","1","","Silveira, Claudio C.; Mendes, Samuel R.; Villetti, Marcos A.; Back, Davi F.; Kaufman, Teodoro S.","CeIII-promoted oxidation. Efficient aerobic one-pot eco-friendly synthesis of oxidized bis(indol-3-yl)methanes and cyclic tetra(indolyl)dimethanes","Green Chemistry","2012","14","10","2912","","10.1039/c2gc36131k","","","0.71073","MoKα","","0.0654","0.0496","","","0.1351","0.1466","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215078","9.7499","0.0004","30.5632","0.0013","8.5329","0.0003","90","","101.967","0.002","90","","2487.44","0.17","180","","180","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N3 O2 P S -","- C27 H28 N3 O2 P S -","- C108 H112 N12 O8 P4 S4 -","4","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","","0.71073","MoKα","","0.0649","0.0413","","","0.0927","0.1032","","","","","","1.019","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215079","16.0609","0.001","18.7305","0.0013","8.9676","0.0006","90","","98.481","0.006","90","","2668.2","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N3 O2 P S -","- C28 H30 N3 O2 P S -","- C112 H120 N12 O8 P4 S4 -","4","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","x-ray","0.71073","MoKα","","0.121","0.0393","","","0.0432","0.0497","","","","","","0.664","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215080","8.7642","0.0009","10.8437","0.0011","12.1558","0.0012","94.396","0.005","106.808","0.005","109.396","0.005","1023.87","0.19","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H23 N2 O2 P S -","- C21 H23 N2 O2 P S -","- C42 H46 N4 O4 P2 S2 -","2","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","x-ray","0.71073","MoKα","","0.0346","0.0324","","","0.0819","0.0837","","","","","","1.048","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215081","12.8415","0.0005","13.0797","0.0005","28.1381","0.0012","90","","109.006","0.001","90","","4468.5","0.3","150","2","150","2","","","","","","","synthesis","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H56 Cl6 N8 O5 P4 Pd2 S2 -","- C25 H56 Cl6 N8 O5 P4 Pd2 S2 -","- C100 H224 Cl24 N32 O20 P16 Pd8 S8 -","4","1","","García-Álvarez, Joaquín; Díez, Josefina; Vidal, Cristian","Pd(ii)-catalyzed cycloisomerisation of γ-alkynoic acids and one-pot tandem cycloisomerisation/CuAAC reactions in water","Green Chemistry","2012","14","11","3190","","10.1039/c2gc36176k","","","0.71073","MoKα","","0.0826","0.0459","","","0.129","0.158","","","","","","0.946","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215082","11.6784","0.0002","5.6853","0.0001","23.4754","0.0003","90","","96.479","0.001","90","","1548.7","0.04","110","2","110","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C68 H68 N12 O16 -","4","1","","García-Álvarez, Joaquín; Díez, Josefina; Vidal, Cristian","Pd(ii)-catalyzed cycloisomerisation of γ-alkynoic acids and one-pot tandem cycloisomerisation/CuAAC reactions in water","Green Chemistry","2012","14","11","3190","","10.1039/c2gc36176k","","","1.54184","CuKα","","0.046","0.0389","","","0.0984","0.1055","","","","","","1.045","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215083","5.426","0.0005","11.6597","0.0012","6.5013","0.0007","90","","95.256","0.009","90","","409.58","0.07","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TKX50, Thomas Klapoetke 50 Year Explosive","Bishydroxylammonium 5,5-1N-oxidotetrazolate","","- C2 H8 N10 O4 -","- C2 H8 N10 O4 -","- C4 H16 N20 O8 -","2","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0471","0.0334","","","0.0825","0.0856","","","","","","0.969","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215084","5.4872","0.0008","11.5472","0.0015","6.4833","0.0009","90","","95.402","0.012","90","","408.97","0.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TKX-50","bishydroxylammonium 5,5-bis(1-oxidotetrazolate","","- C2 H8 N10 O4 -","- C2 H8 N10 O4 -","- C4 H16 N20 O8 -","2","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0427","0.0342","","","0.0818","0.0895","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215085","5.4408","0.0006","11.7514","0.0013","6.5612","0.0009","90","","95.071","0.011","90","","417.86","0.09","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bishydroxylammonium bis-1N-oxidotetrazolate","bishydroxylammonium bis-1N-oxidotetrazolate","","- C2 H8 N10 O4 -","- C2 H8 N10 O4 -","- C4 H16 N20 O8 -","2","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0469","0.0344","","","0.0835","0.0915","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215086","7.6818","0.001","6.7692","0.0012","18.884","0.003","90","","90","","90","","982","0.3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","5,5-bis(1-hydroxy-tetrazole) dimethanolate","5,5-bis(1-hydroxy-tetrazole) dimethanolate","","- C4 H10 N8 O4 -","- C4 H10 N8 O4 -","- C16 H40 N32 O16 -","4","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0767","0.0404","","","0.0827","0.0891","","","","","","0.841","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215087","11.66","0.002","8.705","0.0017","18.028","0.003","90","","90","","90","","1829.8","0.6","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","dimethylammonium 5-(1-hydroxytetrazolyl)-5-(1-oxidotetrazolate","dimethylammonium 5-(1-hydroxytetrazolyl)-5-(1-oxidotetrazolate","","- C4 H9 N9 O2 -","- C4 H9 N9 O2 -","- C32 H72 N72 O16 -","8","1","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0706","0.0437","","","0.0993","0.1201","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215088","7.7443","0.0003","6.2459","0.0003","8.7","0.0003","90","","116.052","0.002","90","","378.06","0.03","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","5,5-bis(1-hydroxy-tetrazole) dihydrate","5,5-bis(1-hydroxy-tetrazole) dihydrate","","- C2 H6 N8 O4 -","- C2 H6 N8 O4 -","- C4 H12 N16 O8 -","2","0.25","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0467","0.0458","","","0.1422","0.1431","","","","","","1.217","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215089","10.9439","0.0006","13.7898","0.0007","14.4698","0.0007","101.357","0.004","99.878","0.004","97.211","0.004","2080.32","0.19","173","0.14","173","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 O Si -","- C54 H46 O Si -","- C108 H92 O2 Si2 -","2","1","","Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong","Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence","Journal of Materials Chemistry","2012","22","38","20266","","10.1039/c2jm34621d","","x-ray","1.5418","CuKα","","0.0787","0.067","","","0.1726","0.1828","","","","","","1.017","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215090","25.5955","0.0003","10.439","0.0001","13.5467","0.0001","90","","90.954","0.001","90","","3619.06","0.06","173","0.14","173","0.14","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C50 H38 Si -","- C50 H38 Si -","- C200 H152 Si4 -","4","1","","Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong","Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence","Journal of Materials Chemistry","2012","22","38","20266","","10.1039/c2jm34621d","","x-ray","1.5418","CuKα","","0.0421","0.0363","","","0.1002","0.1041","","","","","","1.013","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215091","20.6335","0.0019","14.6119","0.0013","9.6084","0.0009","90","","103.327","0.002","90","","2818.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Br2 O Si -","- C31 H28 Br2 O Si -","- C124 H112 Br8 O4 Si4 -","4","1","","Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong","Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence","Journal of Materials Chemistry","2012","22","38","20266","","10.1039/c2jm34621d","","","0.71073","MoKα","","0.0987","0.0498","","","0.1464","0.1756","","","","","","1.016","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215092","16.4393","0.0003","16.4393","0.0003","23.777","0.0009","90","","90","","120","","5564.9","0.3","296","2","296","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 O7 Pr -","- C27 H15 O7 Pr -","- C162 H90 O42 Pr6 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Xia, Wei; Chen, Liangjie; Wang, Xidong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua; Burrell, Anthony K.","Ultrasensitive sorption behavior of isostructural lanthanide‒organic frameworks induced by lanthanide contraction","Journal of Materials Chemistry","2012","22","39","21076","","10.1039/c2jm33884j","","","0.71073","MoKα","","0.0452","0.0353","","","0.0899","0.0934","","","","","","0.983","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215093","16.4393","0.0003","16.4393","0.0003","23.777","0.0009","90","","90","","120","","5564.9","0.3","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C33 H31 N2 O9 Pr -","- C33 H15 N2 O9 Pr -","- C198 H90 N12 O54 Pr6 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Xia, Wei; Chen, Liangjie; Wang, Xidong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua; Burrell, Anthony K.","Ultrasensitive sorption behavior of isostructural lanthanide‒organic frameworks induced by lanthanide contraction","Journal of Materials Chemistry","2012","22","39","21076","","10.1039/c2jm33884j","","","0.71073","MoKα","","0.0897","0.0707","","","0.1949","0.2072","","","","","","1.443","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215094","10.849","0.003","14.172","0.005","20.208","0.007","86.734","0.007","83.852","0.009","79.093","0.007","3031.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H43 Eu4 N2 O32 -","- C54 H43 Eu4 N2 O32 -","- C108 H86 Eu8 N4 O64 -","2","1","","Zhang, Huabin; Zhou, Liujiang; Wei, Jing; Li, Zhihua; Lin, Ping; Du, Shaowu","Highly luminescent and thermostable lanthanide-carboxylate framework materials with helical configurations","Journal of Materials Chemistry","2012","22","39","21210","","10.1039/c2jm34088g","","","0.71073","MoKα","","0.0435","0.0381","","","0.08","0.082","","","","","","0.994","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215095","10.836","0.003","14.156","0.004","20.139","0.005","86.706","0.007","83.875","0.007","78.99","0.004","3012.9","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 Gd4 N2 O32 -","- C54 H40 Gd4 N2 O32 -","- C108 H80 Gd8 N4 O64 -","2","1","","Zhang, Huabin; Zhou, Liujiang; Wei, Jing; Li, Zhihua; Lin, Ping; Du, Shaowu","Highly luminescent and thermostable lanthanide-carboxylate framework materials with helical configurations","Journal of Materials Chemistry","2012","22","39","21210","","10.1039/c2jm34088g","","","0.71073","MoKα","","0.0392","0.0339","","","0.0834","0.0887","","","","","","0.98","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215096","10.85","0.004","14.135","0.005","20.084","0.007","86.494","0.009","83.743","0.007","78.839","0.008","3001.4","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 N2 O32 Tb4 -","- C54 H40 N2 O32 Tb4 -","- C108 H80 N4 O64 Tb8 -","2","1","","Zhang, Huabin; Zhou, Liujiang; Wei, Jing; Li, Zhihua; Lin, Ping; Du, Shaowu","Highly luminescent and thermostable lanthanide-carboxylate framework materials with helical configurations","Journal of Materials Chemistry","2012","22","39","21210","","10.1039/c2jm34088g","","","0.71073","MoKα","","0.0472","0.0404","","","0.1017","0.1088","","","","","","1.057","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215097","27.088","0.0013","27.088","0.0013","41.255","0.0014","90","0.001","90","0.001","90","0.001","30271","2","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- H344 Mn40 Mo96 Na24 O634 P68 -","- Mn40 Mo96 Na24 O634 P68 -","- Mn80 Mo192 Na48 O1268 P136 -","2","0.0625","","Du, Dong-Ying; Qin, Jun-Sheng; Wang, Chun-Gang; Liu, Xian-Chun; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Lan, Ya-Qian; Wang, En-Bo","Redox-active polyoxometalate-based crystalline material-immobilized noble metal nanoparticles: spontaneous reduction and synergistic catalytic activity","Journal of Materials Chemistry","2012","22","39","21040","","10.1039/c2jm33959e","","","0.71069","MoKα","","0.0574","0.0451","","","0.1305","0.1393","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215098","16.682","0.003","6.2944","0.0013","21.713","0.004","90","","105.56","0.03","90","","2196.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F2 N2 O Pt -","- C28 H18 F2 N2 O Pt -","- C112 H72 F8 N8 O4 Pt4 -","4","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0634","0.0452","","","0.0848","0.0907","","","","","","1.221","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215099","20.828","0.004","6.0006","0.0012","15.175","0.003","90","","99.82","0.03","90","","1868.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O Pt -","- C24 H18 N2 O Pt -","- C96 H72 N8 O4 Pt4 -","4","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0402","0.0293","","","0.0518","0.0551","","","","","","1.037","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215100","19.293","0.009","6.181","0.003","17.682","0.008","90","","93.298","0.006","90","","2105.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O Pt -","- C28 H20 N2 O Pt -","- C112 H80 N8 O4 Pt4 -","4","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0509","0.0353","","","0.0747","0.0791","","","","","","0.893","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215101","9.5801","0.0007","8.9412","0.0006","11.6254","0.0008","90","","114.221","0.001","90","","908.14","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O Pt -","- C21 H20 N2 O Pt -","- C42 H40 N4 O2 Pt2 -","2","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0427","0.0341","","","0.0682","0.0796","","","","","","1.101","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215102","8.8439","0.0008","29.671","0.003","8.2022","0.0008","90","","101.712","0.002","90","","2107.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O Pt -","- C28 H20 N2 O Pt -","- C112 H80 N8 O4 Pt4 -","4","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0473","0.0399","","","0.0929","0.0962","","","","","","1.039","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215103","9.1882","0.0018","10.6127","0.0017","10.872","0.0017","97.965","0.003","110.138","0.003","111.785","0.003","880.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O6 -","- C16 H21 N3 O6 -","- C32 H42 N6 O12 -","2","1","","Maity, Suman Kumar; Kumar, Ravi; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Self-assembly and nonlinear optical properties of a synthetic dipeptide","Journal of Materials Chemistry","2012","22","41","22198","","10.1039/c2jm34338j","","","0.71073","MoKα","","0.1028","0.0699","","","0.1954","0.2226","","","","","","1.073","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215104","4.9118","0.0007","12.8431","0.0018","27.493","0.004","90","","90","","90","","1734.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C72 H72 N8 O24 -","4","1","","Maity, Suman Kumar; Kumar, Ravi; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Self-assembly and nonlinear optical properties of a synthetic dipeptide","Journal of Materials Chemistry","2012","22","41","22198","","10.1039/c2jm34338j","","","0.71073","MoKα","","0.0583","0.0393","","","0.0985","0.1144","","","","","","0.98","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215105","7.102","0.002","10.781","0.003","12.643","0.004","100.98","0.005","100.11","0.004","92.151","0.003","933","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 N22 O3 -","- C8 H16 N22 O3 -","- C16 H32 N44 O6 -","2","1","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0595","0.0406","","","0.0822","0.0882","","","","","","0.999","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215106","12.2118","0.001","9.2324","0.0005","13.7527","0.0014","90","","114.505","0.004","90","","1410.9","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N28 O11 -","- C13 H18 N28 O11 -","- C26 H36 N56 O22 -","2","1","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0442","0.037","","","0.0829","0.0866","","","","","","1.002","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215107","10.223","0.004","12.234","0.004","14.849","0.005","90","","107.163","0.004","90","","1774.4","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N20 O3 -","- C8 H14 N20 O3 -","- C32 H56 N80 O12 -","4","0.5","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0642","0.0423","","","0.0907","0.0997","","","","","","0.999","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215108","10.489","0.006","11.018","0.006","15.197","0.008","90","","109.451","0.007","90","","1656","1.6","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N18 O3 -","- C8 H12 N18 O3 -","- C32 H48 N72 O12 -","4","0.5","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0682","0.0447","","","0.0914","0.0986","","","","","","1.001","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215109","13.204","0.002","10.4398","0.0015","21.992","0.003","90","","99.421","0.002","90","","2990.6","0.7","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Cl4 N2 O12 P4 -","- C54 H64 Cl4 N2 O12 P4 -","- C108 H128 Cl8 N4 O24 P8 -","2","0.5","","Chen, Bo; Ding, Junqiao; Wang, Lixiang; Jing, Xiabin; Wang, Fosong","Phosphonate substituted 4,4′-bis(N-carbazolyl)biphenyl with dominant electron injection/transport ability for tuning the single-layer device performance of self-host phosphorescent dendrimer","Journal of Materials Chemistry","2012","22","44","23680","","10.1039/c2jm35526d","","","0.71073","MoKα","","0.0851","0.0625","","","0.1601","0.1772","","","","","","1.008","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215110","12.983","0.004","17.325","0.005","25.312","0.007","106.99","0.005","97.554","0.005","105.072","0.005","5123","3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C256 H272 N6 -","- C256 H272 N6 -","- C256 H272 N6 -","1","0.5","","Zou, Yang; Ye, Tengling; Ma, Dongge; Qin, Jingui; Yang, Chuluo","Star-shaped hexakis(9,9-dihexyl-9H-fluoren-2-yl)benzene end-capped with carbazole and diphenylamine units: solution-processable, high Tg hole-transporting materials for organic light-emitting devices","Journal of Materials Chemistry","2012","22","44","23485","","10.1039/c2jm35618j","","","0.71073","MoKα","","0.1385","0.1047","","","0.2995","0.3382","","","","","","1.331","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215111","17.37","0.002","17.5261","0.0019","19.152","0.002","111.516","0.002","95.702","0.002","104.294","0.002","5138.3","1","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C256 H284 N6 -","- C256 H284 N6 -","- C256 H284 N6 -","1","0.5","","Zou, Yang; Ye, Tengling; Ma, Dongge; Qin, Jingui; Yang, Chuluo","Star-shaped hexakis(9,9-dihexyl-9H-fluoren-2-yl)benzene end-capped with carbazole and diphenylamine units: solution-processable, high Tg hole-transporting materials for organic light-emitting devices","Journal of Materials Chemistry","2012","22","44","23485","","10.1039/c2jm35618j","","","0.71073","MoKα","","0.1729","0.1317","","","0.3724","0.4097","","","","","","1.551","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215112","24.373","0.006","11.367","0.003","36.596","0.01","90","","97.685","0.004","90","","10048","5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H79 Cd3 N5 O26 -","- C67 H54 Cd3 N5 O26 -","- C268 H216 Cd12 N20 O104 -","4","1","","Yi, Fei-Yan; Yang, Weiting; Sun, Zhong-Ming","Highly selective acetone fluorescent sensors based on microporous Cd(ii) metal‒organic frameworks","Journal of Materials Chemistry","2012","22","43","23201","","10.1039/c2jm35273g","","","0.71073","MoKα","","0.1072","0.0775","","","0.225","0.2469","","","","","","1.041","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215113","29.766","0.006","20.293","0.005","16.483","0.004","90","","111.107","0.004","90","","9288","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Cd3 N4 O19 -","- C64 H50 Cd3 N4 O19 -","- C256 H200 Cd12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Yang, Weiting; Sun, Zhong-Ming","Highly selective acetone fluorescent sensors based on microporous Cd(ii) metal‒organic frameworks","Journal of Materials Chemistry","2012","22","43","23201","","10.1039/c2jm35273g","","","0.71073","MoKα","","0.1379","0.0764","","","0.2144","0.2603","","","","","","1.011","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215114","4.328","0.004","19.117","0.016","13.181","0.01","90","","90","","90","","1090.6","1.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Bi In Se5 -","- Ba2 Bi In Se5 -","- Ba8 Bi4 In4 Se20 -","4","0.5","","Lin, Chen-Sheng; Luo, Zhong-Zhen; Cheng, Wen-Dan; Zhang, Hao; Zhang, Wei-Long","Design of SHG materials with mid-infrared transparency based on genetic engineering for Ba2BiInA5 (A = Se, Te)","Journal of Materials Chemistry","2012","22","40","21713","","10.1039/c2jm34775j","","","0.71073","MoKα","","0.0411","0.0297","","","0.0506","0.0547","","","","","","0.648","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215115","34.569","0.003","17.656","0.002","20.504","0.002","90","","108.326","0.003","90","","11880","2","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H19.2 Mn N5 O4.1 -","- C26 H19.2 Mn N5 O4.1 -","- C520 H384 Mn20 N100 O82 -","20","5","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0733","0.057","","","0.1299","0.1342","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215116","20.661","0.004","11.567","0.002","14.227","0.003","90","","116.01","0.03","90","","3055.7","1.3","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H33 N7 O6 Zn -","- C28 H33 N7 O6 Zn -","- C112 H132 N28 O24 Zn4 -","4","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0714","0.0587","","","0.1292","0.1331","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215117","20.96","0.004","11.53","0.002","14.211","0.003","90","","116.24","0.03","90","","3080.4","1.3","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H30 Co N6 O6 -","- C26 H30 Co N6 O6 -","- C104 H120 Co4 N24 O24 -","4","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0759","0.0526","","","0.1022","0.1058","","","","","","1.076","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215118","11.7678","0.0014","17.166","0.002","19.269","0.002","90","","90","","90","","3892.5","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Co N3 O4 -","- C21 H19 Co N3 O4 -","- C168 H152 Co8 N24 O32 -","8","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0891","0.0395","","","0.0841","0.0942","","","","","","1","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215121","7.9807","0.001","8.5886","0.0011","20.424","0.003","90","","96.724","0.004","90","","1390.3","0.3","293","","293","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 K Li2 Mo N O11 -","- C6 H10 K Li2 Mo N O11 -","- C24 H40 K4 Li8 Mo4 N4 O44 -","4","1","","Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish","Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings.","Physical chemistry chemical physics : PCCP","2012","14","44","15579","15592","10.1039/c2cp42105d","","x-ray","0.71073","MoKα","","0.0511","0.0331","","","0.066","0.071","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215122","7.9395","0.0004","8.6813","0.0004","20.6799","0.001","90","","96.707","0.0013","90","","1415.61","0.12","293","","293","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Li2 Mo N O11 Rb -","- C6 H10 Li2 Mo N O11 Rb -","- C24 H40 Li8 Mo4 N4 O44 Rb4 -","4","1","","Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish","Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings.","Physical chemistry chemical physics : PCCP","2012","14","44","15579","15592","10.1039/c2cp42105d","","x-ray","0.71073","MoKα","","0.0437","0.0291","","","0.0611","0.0654","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215123","14.0195","0.0013","13.7541","0.0013","7.7115","0.0007","90","","102.829","0.002","90","","1449.9","0.2","293","2","293","2","","","","","","","synthesis as described","7","P 1 2/c 1","-P 2yc","13","","","","- C12 H12 Cs2 Li4 Mo2 N2 O22 -","- C12 H12 Cs2 Li4 Mo2 N2 O22 -","- C24 H24 Cs4 Li8 Mo4 N4 O44 -","2","0.5","","Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish","Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings.","Physical chemistry chemical physics : PCCP","2012","14","44","15579","15592","10.1039/c2cp42105d","","","0.71073","MoKα","","0.0403","0.032","","","0.0823","0.0859","","","","","","1.065","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215124","3.834","0.0008","9.298","0.0019","28.774","0.006","90","","90.15","0.03","90","","1025.7","0.4","135","2","135","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone","Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid‒a combined crystallographic and spectroscopic study.","Physical chemistry chemical physics : PCCP","2012","14","29","10187","10195","10.1039/c2cp40216e","","","0.6","Synchrotron","","0.0583","0.0436","","","0.1036","0.1122","","","","","","1.028","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215125","3.81","0.0008","9.29","0.0019","28.77","0.006","90","","90.51","0.03","90","","1018.3","0.4","50","2","50","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone","Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid‒a combined crystallographic and spectroscopic study.","Physical chemistry chemical physics : PCCP","2012","14","29","10187","10195","10.1039/c2cp40216e","","","0.6","Synchrotron","","0.0717","0.0636","","","0.2052","0.2158","","","","","","1.105","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215126","3.879","0.0008","9.341","0.0019","28.998","0.006","90","","90.53","0.03","90","","1050.7","0.4","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone","Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid‒a combined crystallographic and spectroscopic study.","Physical chemistry chemical physics : PCCP","2012","14","29","10187","10195","10.1039/c2cp40216e","","","0.6","Synchrotron","","0.1095","0.0563","","","0.1688","0.1952","","","","","","1.027","","","","has coordinates,has disorder","201369","2020-10-21","18:00:00",""
"7215127","16.8136","0.0004","4.719","0.0001","12.9222","0.0003","90","","102.45","0.001","90","","1001.18","0.04","90","2","90","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","2-(2'-hydroxyphenyl)benzimidazole","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","","Konoshima, Hayato; Nagao, Saori; Kiyota, Issui; Amimoto, Kiichi; Yamamoto, Norifumi; Sekine, Masahiko; Nakata, Munetaka; Furukawa, Kazuki; Sekiya, Hiroshi","Excited-state intramolecular proton transfer and charge transfer in 2-(2'-hydroxyphenyl)benzimidazole crystals studied by polymorphs-selected electronic spectroscopy.","Physical chemistry chemical physics : PCCP","2012","14","47","16448","16457","10.1039/c2cp42686b","","x-ray","0.71073","MoKα","","0.0418","0.0399","","","0.1061","0.1126","","","","","","1.074","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215128","3.7658","0.0016","22.03","0.009","5.801","0.002","90","","94.516","0.005","90","","479.8","0.3","90","2","90","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","2-(2'-hydroxyphenyl)benzimidazole","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Konoshima, Hayato; Nagao, Saori; Kiyota, Issui; Amimoto, Kiichi; Yamamoto, Norifumi; Sekine, Masahiko; Nakata, Munetaka; Furukawa, Kazuki; Sekiya, Hiroshi","Excited-state intramolecular proton transfer and charge transfer in 2-(2'-hydroxyphenyl)benzimidazole crystals studied by polymorphs-selected electronic spectroscopy.","Physical chemistry chemical physics : PCCP","2012","14","47","16448","16457","10.1039/c2cp42686b","","x-ray","0.71073","MoKα","","0.0503","0.0459","","","0.1064","0.1092","","","","","","1.065","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7222424","6.8943","0.0003","11.9131","0.0005","4.80742","0.00005","90","","90","","90.268","0.003","394.84","0.02","90","","90","","","","","","","","","2","?","?","","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222425","6.8939","0.0003","11.9135","0.0005","4.80731","0.00005","90","","90","","90.262","0.003","394.82","0.02","90","","90","","","","","","","","","2","?","?","","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222426","6.8929","0.0003","11.9152","0.0005","4.8061","0.00004","90","","90","","90.222","0.003","394.72","0.02","90","","90","","","","","","","","","2","?","?","","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222428","6.8924","0.0003","11.9164","0.0005","4.80483","0.00004","90","","90","","90.2","0.003","394.63","0.02","90","","90","","","","","","","","","2","?","?","","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222429","6.90396","0.00006","11.89561","0.00011","4.7959","0.00004","90","","90","","90","","393.872","0.006","90","","90","","","","","","","","","2","C c m m","-C 2c 2c","63","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","0.125","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222430","6.90198","0.00006","11.90062","0.00011","4.7964","0.00004","90","","90","","90","","393.966","0.006","90","","90","","","","","","","","","2","C c m m","-C 2c 2c","63","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","0.125","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222431","6.899","0.00007","11.90799","0.00011","4.7973","0.00004","90","","90","","90","","394.114","0.006","90","","90","","","","","","","","","2","C c m m","-C 2c 2c","63","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","0.125","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7229595","11.18241","0.00011","11.18241","0.00011","7.2372","0.00008","90","","90","","120","","783.74","0.014","293","2","293","2","","","","","","","","4","P 63","P 6c","173","Barium Fluoride Borate","","","- B3.51 Ba7 F3.47 O10.53 -","- B3.51 Ba6.991 F3.461 O10.53 -","- B7.02 Ba13.982 F6.922 O21.06 -","2","0.333333","","Bekker, T. B.; Rashchenko, S. V.; Bakakin, V. V.; Seryotkin, Yu. V.; Fedorov, P. P.; Kokh, A. E.; Stonoga, S. Yu.","Phase formation in the BaB2O4‒BaF2‒BaO system and new non-centrosymmetric solid-solution series Ba7(BO3)4−xF2+3x","CrystEngComm","2012","14","20","6910","","10.1039/c2ce26122g","","x-ray","0.71073","MoKα","","0.0258","0.0251","","","0.0545","0.0548","","","","","","1.084","","","","has coordinates","203288","2020-10-21","18:00:00",""
"7233520","7.2587","0.0015","13.877","0.003","13.896","0.003","75.68","0.03","87.39","0.03","78.99","0.03","1331.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 S Si2 -","- C30 H28 S Si2 -","- C60 H56 S2 Si4 -","2","1","","Weifeng Zhang; Ji Zhang; Xiangyang Chen; Zupan Mao; Xiaodong Xie; Liping Wang; Yi Liao; Gui Yu; Yunqi Liu; Daoben Zhu","Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties","Journal of Materials Chemistry C","2012","1","","6403","6410","10.1039/C3TC31421A","","","0.71073","MoKα","","0.0841","0.0719","","","0.146","0.1529","","","","","","1.165","","","","has coordinates","217790","2020-10-21","18:00:00",""
"7233521","12.241","0.002","15.168","0.003","20.461","0.004","90","","93.26","0.003","90","","3792.9","1.2","173","2","446","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 S Si2 -","- C42 H52 S Si2 -","- C168 H208 S4 Si8 -","4","1","","Weifeng Zhang; Ji Zhang; Xiangyang Chen; Zupan Mao; Xiaodong Xie; Liping Wang; Yi Liao; Gui Yu; Yunqi Liu; Daoben Zhu","Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties","Journal of Materials Chemistry C","2012","1","","6403","6410","10.1039/C3TC31421A","","","0.71073","MoKα","","0.0896","0.0812","","","0.1584","0.1628","","","","","","1.231","","","","has coordinates","217791","2020-10-21","18:00:00",""
"7233522","8.545","0.002","17.738","0.004","25.019","0.006","90","","90.907","0.004","90","","3791.7","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 S Si2 -","- C42 H52 S Si2 -","- C168 H208 S4 Si8 -","4","1","","Weifeng Zhang; Ji Zhang; Xiangyang Chen; Zupan Mao; Xiaodong Xie; Liping Wang; Yi Liao; Gui Yu; Yunqi Liu; Daoben Zhu","Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties","Journal of Materials Chemistry C","2012","1","","6403","6410","10.1039/C3TC31421A","","","0.71073","MoKα","","0.1168","0.0985","","","0.1742","0.1834","","","","","","1.234","","","","has coordinates","217792","2020-10-21","18:00:00",""
"7233544","25.083","0.005","9.7633","0.0017","16.902","0.003","90","","101.13","0.002","90","","4061.3","1.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H37 Cl4 Ir N4 O2 -","- C45 H37 Cl4 Ir N4 O2 -","- C180 H148 Cl16 Ir4 N16 O8 -","4","0.5","","Ran Tao; Juan Qiao; Guoliang Zhang; Lian Duan; Chao Chen; Liduo Wang; Yong Qiu","High-efficiency near-infrared organic light-emitting devices based on an iridium complex with negligible efficiency roll-off","Journal of Materials Chemistry C","2012","1","","6446","6454","10.1039/C3TC30866A","","","0.71073","MoKα","","0.0459","0.0448","","","0.1157","0.1165","","","","","","1.408","","","","has coordinates","217823","2020-10-21","18:00:00",""
"7233545","8.8613","0.0018","15.781","0.003","10.632","0.002","90","","100.71","0.03","90","","1460.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 -","- C38 H36 N2 -","- C76 H72 N4 -","2","0.5","","Shanyong Chen; Jinbei Wei; Kai Wang; Chenguang Wang; Dong Chen; Yu Liu; Yue Wang","Constructing high-performance blue, yellow and red electroluminescent devices based on a class of multifunctional organic materials","Journal of Materials Chemistry C","2012","1","","6594","6602","10.1039/C3TC31271B","","","0.71073","MoKα","","0.1097","0.0566","","","0.1337","0.1572","","","","","","1.067","","","","has coordinates","217824","2020-10-21","18:00:00",""
"7233546","8.7236","0.0017","12.994","0.003","16.506","0.003","74.1","0.03","79.08","0.03","74.9","0.03","1723.2","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H40 N2 -","- C46 H40 N2 -","- C92 H80 N4 -","2","1","","Shanyong Chen; Jinbei Wei; Kai Wang; Chenguang Wang; Dong Chen; Yu Liu; Yue Wang","Constructing high-performance blue, yellow and red electroluminescent devices based on a class of multifunctional organic materials","Journal of Materials Chemistry C","2012","1","","6594","6602","10.1039/C3TC31271B","","","0.71073","MoKα","","0.2379","0.1144","","","0.2992","0.3772","","","","","","0.998","","","","has coordinates","217825","2020-10-21","18:00:00",""
"7233547","12.122","0.001","9.792","0.0008","21.821","0.0019","90","","95.521","0.001","90","","2578.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Ir N3 O S -","- C31 H24 Ir N3 O S -","- C124 H96 Ir4 N12 O4 S4 -","4","1","","Kai Chao; Kuizhan Shao; Tai Peng; Dongxia Zhu; Yue Wang; Yu Liu; Zhongmin Su; Martin R. Bryce","New oxazoline- and thiazoline-containing heteroleptic iridium(III) complexes for highly-efficient phosphorescent organic light-emitting devices (PhOLEDs): colour tuning by varying the electroluminescence bandwidth","Journal of Materials Chemistry C","2012","1","","6800","6806","10.1039/C3TC31463D","","","0.71069","MoKα","","0.0486","0.0291","","","0.0512","0.0566","","","","","","0.985","","","","has coordinates","217826","2020-10-21","18:00:00",""
"7233548","11.734","0.002","9.6222","0.0019","22.223","0.004","90","","96.82","0.03","90","","2491.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Ir N3 O2 -","- C31 H24 Ir N3 O2 -","- C124 H96 Ir4 N12 O8 -","4","1","","Kai Chao; Kuizhan Shao; Tai Peng; Dongxia Zhu; Yue Wang; Yu Liu; Zhongmin Su; Martin R. Bryce","New oxazoline- and thiazoline-containing heteroleptic iridium(III) complexes for highly-efficient phosphorescent organic light-emitting devices (PhOLEDs): colour tuning by varying the electroluminescence bandwidth","Journal of Materials Chemistry C","2012","1","","6800","6806","10.1039/C3TC31463D","","","0.71073","MoKα","","0.0521","0.0299","","","0.0489","0.0567","","","","","","1.042","","","","has coordinates","217827","2020-10-21","18:00:00",""
"7233549","10.969","0.005","7.342","0.005","36.533","0.005","90","0.005","90","0.005","90","0.005","2942","2","296","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C152 H104 N24 O8 -","8","1","","Lianke Wang; Zheng Zheng; Zhipeng Yu; Jun Zheng; Min Fang; Jieying Wu; Yupeng Tian; Hongping Zhou","Schiff base particles with aggregation-induced enhanced emission: random aggregation preventing pi-pi stacking","Journal of Materials Chemistry C","2012","1","","6952","6959","10.1039/C3TC31626B","","","0.71069","MoKα","","0.0457","0.0378","","","0.1133","0.1275","","","","","","1.115","","","","has coordinates","217828","2020-10-21","18:00:00",""
"7233550","9.2346","0.0014","10.1144","0.0015","24.687","0.004","79.828","0.002","89.103","0.002","72.21","0.002","2159.3","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C1.63 H1.5 N0.19 -","- C1.625 H1.5 N0.1875 -","- C104 H96 N12 -","64","32","","Wen-bin Jia; Hao-wei Wang; Long-mei Yang; Hong-bo Lu; Lin Kong; Yu-peng Tian; Xu-tang Tao; Jia-xiang Yang","Synthesis of two novel indolo[3,2-b]carbazole derivatives with aggregation-enhanced emission property","Journal of Materials Chemistry C","2012","1","","7092","7101","10.1039/C3TC31590H","","","0.71073","MoKα","","0.1183","0.0581","","","0.1315","0.1522","","","","","","1.03","","","","has coordinates","217829","2020-10-21","18:00:00",""
"7233551","9.416","0.0002","12.7884","0.0002","12.9807","0.0004","90","","108.879","0.003","90","","1478.99","0.07","173","0.14","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 -","- C15 H17 N5 -","- C60 H68 N20 -","4","1","","Tianyu Han; Yuning Hong; Ni Xie; Sijie Chen; Na Zhao; Engui Zhao; Jacky W. Y. Lam; Herman H. Y. Sung; Yuping Dong; Bin Tong; Ben Zhong Tang","Defect-sensitive crystals based on diaminomaleonitrile-functionalized Schiff base with aggregation-enhanced emission","Journal of Materials Chemistry C","2012","1","","7314","7320","10.1039/C3TC31562B","","x-ray","1.5418","CuKα","","0.0379","0.0355","","","0.0999","0.1027","","","","","","1.003","","","","has coordinates","217830","2020-10-21","18:00:00",""
"7233552","8.689","0.0012","11.6597","0.0016","16.959","0.002","90","","90","","90","","1718.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","1","","Bin Chen; Gang Yu; Xin Li; Yubin Ding; Cheng Wang; Zhiwei Liu; Yongshu Xie","Full-colour luminescent compounds based on anthracene and 2,2'-dipyridylamine","Journal of Materials Chemistry C","2012","1","","7409","7417","10.1039/C3TC31751J","","","0.71073","MoKα","","0.0446","0.0404","","","0.0937","0.0954","","","","","","1.13","","","","has coordinates","217831","2020-10-21","18:00:00",""
"7233553","24.46","0.002","10.408","0.001","15.1901","0.0014","90","","94.255","0.001","90","","3856.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N4 O -","- C47 H46 N4 O -","- C188 H184 N16 O4 -","4","1","","Bin Chen; Gang Yu; Xin Li; Yubin Ding; Cheng Wang; Zhiwei Liu; Yongshu Xie","Full-colour luminescent compounds based on anthracene and 2,2'-dipyridylamine","Journal of Materials Chemistry C","2012","1","","7409","7417","10.1039/C3TC31751J","","","0.71073","MoKα","","0.2338","0.093","","","0.2253","0.3489","","","","","","1.074","","","","has coordinates,has disorder","217832","2020-10-21","18:00:00",""
"7233554","21.027","0.004","9.855","0.002","15.357","0.003","90","","100.44","0.03","90","","3129.6","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Be Cl2 N2 O4 -","- C35 H34 Be Cl2 N2 O4 -","- C140 H136 Be4 Cl8 N8 O16 -","4","0.5","","Xiao Cheng; Houyu Zhang; Kaiqi Ye; Hongyu Zhang; Yue Wang","Morphology-dependent fluorescence ON/OFF of a beryllium complex: ACQ in amorphous solids, AEE in crystalline powders and the dark/bright fluorescence switch","Journal of Materials Chemistry C","2012","1","","7507","7512","10.1039/C3TC31554A","","","0.71073","MoKα","","0.1882","0.0833","","","0.1955","0.2437","","","","","","1.051","","","","has coordinates","217833","2020-10-21","18:00:00",""
"7233555","20.489","0.004","10.148","0.002","14.499","0.003","90","","99.68","0.03","90","","2971.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Be N2 O5 -","- C34 H34 Be N2 O5 -","- C136 H136 Be4 N8 O20 -","4","0.5","","Xiao Cheng; Houyu Zhang; Kaiqi Ye; Hongyu Zhang; Yue Wang","Morphology-dependent fluorescence ON/OFF of a beryllium complex: ACQ in amorphous solids, AEE in crystalline powders and the dark/bright fluorescence switch","Journal of Materials Chemistry C","2012","1","","7507","7512","10.1039/C3TC31554A","","","0.71073","MoKα","","0.1141","0.0633","","","0.1769","0.2076","","","","","","1.07","","","","has coordinates,has disorder","217834","2020-10-21","18:00:00",""
"7233556","6.85","0.007","9.23","0.012","9.341","0.01","65.88","0.04","69.95","0.04","77.39","0.05","504.2","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C28 H20 N2 -","1","0.5","","Yujie Dong; Jibo Zhang; Xiao Tan; Lijuan Wang; Jinlong Chen; Bao Li; Ling Ye; Bin Xu; Bo Zou; Wenjing Tian","Multi-stimuli responsive fluorescence switching: the reversible piezochromism and protonation effect of a divinylanthracene derivative","Journal of Materials Chemistry C","2012","1","","7554","7559","10.1039/C3TC31553C","","","0.71073","MoKα","","0.0726","0.0463","","","0.1496","0.1889","","","","","","1.077","","","","has coordinates","217835","2020-10-21","18:00:00",""
"7233557","7.5957","0.0015","5.7108","0.0011","22.899","0.005","90","","95.95","0.03","90","","988","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Yujie Dong; Jibo Zhang; Xiao Tan; Lijuan Wang; Jinlong Chen; Bao Li; Ling Ye; Bin Xu; Bo Zou; Wenjing Tian","Multi-stimuli responsive fluorescence switching: the reversible piezochromism and protonation effect of a divinylanthracene derivative","Journal of Materials Chemistry C","2012","1","","7554","7559","10.1039/C3TC31553C","","","0.71073","MoKα","","0.0596","0.0428","","","0.1269","0.138","","","","","","1.081","","","","has coordinates","217836","2020-10-21","18:00:00",""
"7233558","8.625","0.0004","10.1204","0.0005","15.1241","0.0007","89.209","0.001","73.586","0.001","78.832","0.001","1241.2","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 F6 N6 O4 Pt -","- C50 H58 F6 N6 O4 Pt -","- C50 H58 F6 N6 O4 Pt -","1","0.5","","Li-Min Huang; Guan-Min Tu; Yun Chi; Wen-Yi Hung; Yo-Cheng Song; Mei-Rurng Tseng; Pi-Tai Chou; Gene-Hsiang Lee; Ken-Tsung Wong; Shuo-Hsien Cheng; Wan-Shan Tsai","Mechanoluminescent and efficient white OLEDs for Pt(II) phosphors bearing spatially encumbered pyridinyl pyrazolate chelates","Journal of Materials Chemistry C","2012","1","","7582","7592","10.1039/C3TC31524J","","","0.71073","MoKα","","0.0254","0.0248","","","0.0599","0.0675","","","","","","1.11","","","","has coordinates","217837","2020-10-21","18:00:00",""
"7233559","18.706","0.0007","18.706","0.0007","29.477","0.002","90","","90","","120","","8932.6","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H42 F6 N6 Pt -","- C42 H42 F6 N6 Pt -","- C378 H378 F54 N54 Pt9 -","9","0.5","","Li-Min Huang; Guan-Min Tu; Yun Chi; Wen-Yi Hung; Yo-Cheng Song; Mei-Rurng Tseng; Pi-Tai Chou; Gene-Hsiang Lee; Ken-Tsung Wong; Shuo-Hsien Cheng; Wan-Shan Tsai","Mechanoluminescent and efficient white OLEDs for Pt(II) phosphors bearing spatially encumbered pyridinyl pyrazolate chelates","Journal of Materials Chemistry C","2012","1","","7582","7592","10.1039/C3TC31524J","","","0.71073","MoKα","","0.045","0.0414","","","0.0936","0.1033","","","","","","1.08","","","","has coordinates,has disorder","217838","2020-10-21","18:00:00",""
"7233560","24.505","0.0008","9.0961","0.0003","29.5784","0.001","90","","105.123","0.002","90","","6364.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H78 Bi2 Cl4 O6 S12 -","- C43 H78 Bi2 Cl4 O6 S12 -","- C172 H312 Bi8 Cl16 O24 S48 -","4","0.5","","Verena Kaltenhauser; Thomas Rath; Wernfried Haas; Ana Torvisco; Stefan K. Muller; Bettina Friedel; Birgit Kunert; Robert Saf; Ferdinand Hofer; Gregor Trimmel","Bismuth sulphide-polymer nanocomposites from a highly soluble bismuth xanthate precursor","Journal of Materials Chemistry C","2012","1","","7825","7832","10.1039/C3TC31684J","","","0.71073","MoKα","","0.0396","0.0356","","","0.0844","0.0867","","","","","","1.064","","","","has coordinates","217839","2020-10-21","18:00:00",""
"7233561","7.2633","0.0002","10.0645","0.0001","10.0786","0.0002","90","","90","","90","","736.76","0.03","120","0.1","120","0.1","","","","","","","","4","C m c 21","C 2c -2","36","dabco hydrochloride","1,4diazabicyclo[2.2.2]octane hydrochloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","0.5","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.028","0.0257","","","0.061","0.0624","","","","","","1.077","","","","has coordinates","217840","2020-10-21","18:00:00",""
"7233562","7.368","0.006","10.076","0.002","10.227","0.005","90","0.04","90","0.06","90","0.06","759.3","0.7","295","1","295","1","","","","","","","","4","C m c 21","C 2c -2","36","dabco hydrochloride","1,4diazabicyclo[2.2.2]octane hydrochloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","0.5","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.0324","0.0257","","","0.0708","0.0731","","","","","","1.064","","","","has coordinates","217841","2020-10-21","18:00:00",""
"7233563","5.2847","0.0002","17.004","0.0013","12.0194","0.0009","90","","90","","90","","1080.08","0.12","295","0.1","295","0.1","","","","","","","","5","C m c m","-C 2c 2","63","dabco hydrochloride trihydrate","1,4diazabicyclo[2.2.2]octane hydrochloride trihydrate","","- C6 H19 Cl N2 O3 -","- C6 H17 Cl N2 O3 -","- C24 H68 Cl4 N8 O12 -","4","0.25","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.1248","0.092","","","0.2768","0.3148","","","","","","1.106","","","","has coordinates","217842","2020-10-21","18:00:00",""
"7233564","5.313","0.003","16.988","0.011","12.159","0.01","90","","90","","90","","1097.4","1.3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H19 Cl N2 O3 -","- C6 H19 Cl N2 O3 -","- C24 H76 Cl4 N8 O12 -","4","0.25","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.837","","","0.0692","0.0458","","","0.104","0.1166","","","","","","1.165","","","","has coordinates","217843","2020-10-21","18:00:00",""
"7233565","16.488","0.003","5.2695","0.0011","12.254","0.003","90","","92.28","0.03","90","","1063.8","0.4","150","0.1","150","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","dabco hydrochloride","1,4diazabicyclo[2.2.2]octane hydrochloride","","- C6 H19 Cl N2 O3 -","- C6 H13 Cl N2 O3 -","- C24 H52 Cl4 N8 O12 -","4","0.5","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","1.54184","CuKα","","0.101","0.0992","","","0.2734","0.2744","","","","","","1.203","","","","has coordinates","217844","2020-10-21","18:00:00",""
"7238423","11.829","0.002","12.517","0.003","18.391","0.004","90","","90","","90","","2723","1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N6 Ti -","- C26 H30 Cl2 N6 Ti -","- C104 H120 Cl8 N24 Ti4 -","4","1","","Zhao, Yang; Lin, Miaoshui; Chen, Zhou; Pei, Hao; Li, Yahong; Chen, Yanmei; Wang, Xiufang; Li, Lei; Cao, Yanyuan; Zhang, Yong; Li, Wu","Titanium and zirconium amido complexes supported by imidazole-containing ligands: syntheses, characterization and catalytic activities","RSC Adv.","2012","2","1","144","","10.1039/C1RA00408E","","","0.71073","MoKα","","0.0452","0.0406","","","0.0871","0.0906","","","","","","0.999","","","","has coordinates","244168","2020-10-21","18:00:00",""
"7238424","8.9628","0.0018","13.517","0.003","19.262","0.004","73.96","0.03","87.86","0.03","74.76","0.03","2162.3","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Cl4 N8 Ti -","- C44 H36 Cl4 N8 Ti -","- C88 H72 Cl8 N16 Ti2 -","2","1","","Zhao, Yang; Lin, Miaoshui; Chen, Zhou; Pei, Hao; Li, Yahong; Chen, Yanmei; Wang, Xiufang; Li, Lei; Cao, Yanyuan; Zhang, Yong; Li, Wu","Titanium and zirconium amido complexes supported by imidazole-containing ligands: syntheses, characterization and catalytic activities","RSC Adv.","2012","2","1","144","","10.1039/C1RA00408E","","","0.71073","MoKα","","0.14","0.0879","","","0.1709","0.1971","","","","","","1.099","","","","has coordinates","244168","2020-10-21","18:00:00",""
"7238430","16.5695","0.0006","15.0759","0.0006","11.296","0.0006","90","","90","","90","","2821.7","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H32 O2 -","- C36 H32 O2 -","- C144 H128 O8 -","4","1","","Zhu, Shugao; Wu, Luling; Huang, Xian","Palladium-catalyzed sequential reaction viaSonogashira coupling, isomerization, Claisen rearrangement and [4 + 2] cycloaddition sequence for the rapid synthesis of tricyclo[3.2.1.02,7]oct-3-ene derivatives","RSC Adv.","2012","2","1","132","","10.1039/C1RA00452B","","","1.54184","CuKα","","0.0715","0.0408","","","0.0865","0.0985","","","","","","0.983","","","","has coordinates","244170","2020-10-21","18:00:00",""
"7238434","19.017","0.003","19.507","0.003","15.973","0.002","90","","117.708","0.006","90","","5245.9","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 Hf N4 O8 -","- C54 H60 Hf N4 O8 -","- C216 H240 Hf4 N16 O32 -","4","0.5","","Kumar Saha, Tanmoy; Rajashekhar, Bijja; Chakraborty, Debashis","Alkoxides of group 4 metals containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies","RSC Adv.","2012","2","1","307","","10.1039/C1RA00543J","","","0.71073","MoKα","","0.0719","0.0411","","","0.0807","0.0917","","","","","","1.009","","","","has coordinates","244173","2020-10-21","18:00:00",""
"7238435","12.07","0.002","22.74","0.005","27.72","0.006","90","","100.89","0.03","90","","7471","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 Cl2 N4 O4 Zr -","- C70 H90 Cl2 N4 O4 Zr -","- C280 H360 Cl8 N16 O16 Zr4 -","4","1","","Kumar Saha, Tanmoy; Rajashekhar, Bijja; Chakraborty, Debashis","Alkoxides of group 4 metals containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies","RSC Adv.","2012","2","1","307","","10.1039/C1RA00543J","","","0.71073","MoKα","","0.2163","0.0988","","","0.2589","0.3318","","","","","","0.988","","","","has coordinates","244173","2020-10-21","18:00:00",""
"7238436","12.0283","0.0003","28.2315","0.0009","21.64","0.0008","90","","98.251","0.001","90","","7272.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H104 N4 O6 Ti -","- C79 H104 N4 O6 Ti -","- C316 H416 N16 O24 Ti4 -","4","1","","Kumar Saha, Tanmoy; Rajashekhar, Bijja; Chakraborty, Debashis","Alkoxides of group 4 metals containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies","RSC Adv.","2012","2","1","307","","10.1039/C1RA00543J","","","0.71073","MoKα","","0.1316","0.0608","","","0.1471","0.1847","","","","","","0.968","","","","has coordinates","244173","2020-10-21","18:00:00",""
"7238445","10.798","0.017","15.09","0.02","27.46","0.04","90","","90","","90","","4474","11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H62 N8 O15 -","- C35 H62 N8 O15 -","- C140 H248 N32 O60 -","4","1","","Tian, Jun-Mian; Ou-Yang, Si-Sheng; Zhang, Xu; Di, Ying-Tong; Jiang, Hua-Liang; Li, Hong-Lin; Dai, Wei-Xing; Chen, Ke-Yu; Liu, Mai-Li; Hao, Xiao-Jiang; Shen, Yun-Heng; Luo, Cheng; Zhang, Wei-Dong","Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides","RSC Adv.","2012","2","3","1126","","10.1039/C1RA00593F","","","0.71073","MoKα","","0.1705","0.081","","","0.1884","0.2354","","","","","","1.001","","","","has coordinates","244176","2020-10-21","18:00:00",""
"7238446","8.5808","0.0007","46.211","0.004","8.7745","0.0008","90","","90","","90","","3479.3","0.5","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C176 H168 N8 O16 -","8","1","","Kundu, Kshama; Nayak, Sandip K.","(±)-Camphor-10-sulfonic acid catalyzed direct one-pot three-component Mannich type reaction of alkyl (hetero)aryl ketones under solvent-free conditions: application to the synthesis of aminochromans","RSC Adv.","2012","2","2","480","","10.1039/C1RA00652E","","","0.71073","MoKα","","0.1316","0.0497","","","0.0941","0.1117","","","","","","0.862","","","","has coordinates","244177","2020-10-21","18:00:00",""
"7238447","9.41","0.0018","10.603","0.002","11.494","0.002","66.655","0.002","83.633","0.003","69.026","0.002","982.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H20 B F2 I N2 O2 -","- C21 H20 B F2 I N2 O2 -","- C42 H40 B2 F4 I2 N4 O4 -","2","1","","Zhu, Shilei; Zhang, Jingtuo; Vegesna, Giri; Tiwari, Ashutosh; Luo, Fen-Tair; Zeller, Matthias; Luck, Rudy; Li, Haihua; Green, Sarah; Liu, Haiying","Controlled Knoevenagel reactions of methyl groups of 1,3,5,7-tetramethyl BODIPY dyes for unique BODIPY dyes","RSC Adv.","2012","2","2","404","","10.1039/C1RA00678A","","","0.71073","MoKα","","0.0432","0.0408","","","0.0954","0.0969","","","","","","1.301","","","","has coordinates,has disorder","244178","2020-10-21","18:00:00",""
"7238448","6.5685","0.0005","8.8104","0.0006","16.478","0.001","81.757","0.001","84.965","0.001","85.897","0.001","938.42","0.11","447","2","447","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H21 B F2 N2 O3 -","- C22 H21 B F2 N2 O3 -","- C44 H42 B2 F4 N4 O6 -","2","1","","Zhu, Shilei; Zhang, Jingtuo; Vegesna, Giri; Tiwari, Ashutosh; Luo, Fen-Tair; Zeller, Matthias; Luck, Rudy; Li, Haihua; Green, Sarah; Liu, Haiying","Controlled Knoevenagel reactions of methyl groups of 1,3,5,7-tetramethyl BODIPY dyes for unique BODIPY dyes","RSC Adv.","2012","2","2","404","","10.1039/C1RA00678A","","x-ray","0.71073","MoKα","","0.064","0.0477","","","0.1132","0.1258","","","","","","1.029","","","","has coordinates","244178","2020-10-21","18:00:00",""
"7238451","4.3849","0.0003","23.419","0.002","11.2403","0.001","90","","100.743","0.006","90","","1134.04","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br N4 S -","- C11 H7 Br N4 S -","- C44 H28 Br4 N16 S4 -","4","1","","Neto, Brenno A. D.; Carvalho, Pedro H. P. R.; Santos, Diego C. B. D.; Gatto, Claudia C.; Ramos, Luciana M.; Vasconcelos, Nathalia M. de; Corrêa, José R.; Costa, Maísa B.; de Oliveira, Heibbe C. B.; Silva, Rafael G.","Synthesis, properties and highly selective mitochondria staining with novel, stable and superior benzothiadiazole fluorescent probes","RSC Adv.","2012","2","4","1524","","10.1039/C1RA00701G","","","0.71073","MoKα","","0.0861","0.0399","","","0.0644","0.0755","","","","","","0.998","","","","has coordinates","244180","2020-10-21","18:00:00",""
"7238452","22.9294","0.0008","3.8241","0.0002","23.2133","0.0008","90","","93.832","0.002","90","","2030.89","0.15","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C88 H64 N32 S8 -","8","2","","Neto, Brenno A. D.; Carvalho, Pedro H. P. R.; Santos, Diego C. B. D.; Gatto, Claudia C.; Ramos, Luciana M.; Vasconcelos, Nathalia M. de; Corrêa, José R.; Costa, Maísa B.; de Oliveira, Heibbe C. B.; Silva, Rafael G.","Synthesis, properties and highly selective mitochondria staining with novel, stable and superior benzothiadiazole fluorescent probes","RSC Adv.","2012","2","4","1524","","10.1039/C1RA00701G","","","0.71073","MoKα","","0.1956","0.0622","","","0.127","0.1872","","","","","","0.93","","","","has coordinates","244180","2020-10-21","18:00:00",""
"7238453","4.32","0.004","10.637","0.004","16.09","0.004","90","0.005","94.11","0.005","90","0.005","737.5","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","2D1B","4-bromophenylboronate derivative of [5R,6S]-2-methyl-5,6-dihydroquinoline-5,6-diol","","- C16 H13 B Br N O2 -","- C16 H13 B Br N O2 -","- C32 H26 B2 Br2 N2 O4 -","2","1","","Chopard, Claude; Bertho, Gildas; Prangé, Thierry","Naphthalene-dioxygenase catalysed cis-dihydroxylation of bicyclic azaarenes","RSC Adv.","2012","2","2","605","","10.1039/C1RA00706H","","","0.71069","MoKα","","0.0526","0.0374","","","0.0802","0.0866","","","","","","1.088","","","","has coordinates","244181","2020-10-21","18:00:00",""
"7238454","12.683","0.002","4.267","0.002","14.339","0.002","90","","107.93","0.05","90","","738.3","0.4","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","7d2B","4-bromophenylboronate derivative of [7S,8R]-1-methyl- 7,8-dihydroisoquinoline-7,8-diol","","- C16 H13 B Br N O2 -","- C16 H13 B Br N O2 -","- C32 H26 B2 Br2 N2 O4 -","2","1","","Chopard, Claude; Bertho, Gildas; Prangé, Thierry","Naphthalene-dioxygenase catalysed cis-dihydroxylation of bicyclic azaarenes","RSC Adv.","2012","2","2","605","","10.1039/C1RA00706H","","","0.92","","","0.083","0.0829","","","0.2513","0.2514","","","","","","2.689","","","","has coordinates","244181","2020-10-21","18:00:00",""
"7238455","13.288","0.0003","5.6186","0.0001","22.5335","0.0005","90","","93.035","0.001","90","","1679.99","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,7-Bis-phenylethynyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine","","- C22 H14 O2 S -","- C22 H14 O2 S -","- C88 H56 O8 S4 -","4","1","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.0612","0.0413","","","0.0895","0.0969","","","","","","1.025","","","","has coordinates","244182","2020-10-21","18:00:00",""
"7238456","14.1518","0.0004","6.2943","0.0001","18.7696","0.0005","90","","109.741","0.001","90","","1573.65","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C80 H48 O8 S4 -","4","1","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","1.54178","CuKα","","0.0719","0.0633","","","0.1693","0.1815","","","","","","1.049","","","","has coordinates","244182","2020-10-21","18:00:00",""
"7238457","16.462","0.0008","7.2069","0.0003","23.1514","0.0014","90","","107.172","0.006","90","","2624.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C120 H120 O16 S4 -","4","1","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.1261","0.0508","","","0.0696","0.0821","","","","","","0.865","","","","has coordinates","244182","2020-10-21","18:00:00",""
"7238458","6.0263","0.0004","8.1335","0.0005","13.0125","0.0007","87.992","0.002","77.115","0.001","74.072","0.001","597.64","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C30 H28 S2 -","1","0.5","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.047","0.0412","","","0.1122","0.1179","","","","","","1.122","","","","has coordinates","244182","2020-10-21","18:00:00",""
"7238459","6.2158","0.0004","7.6037","0.0005","13.2115","0.001","102.29","0.002","93.687","0.002","97.016","0.002","602.91","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C30 H28 S2 -","1","0.5","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.0586","0.0492","","","0.1354","0.1461","","","","","","1.092","","","","has coordinates","244182","2020-10-21","18:00:00",""
"7238460","15.2943","0.0015","15.4858","0.0015","6.421","0.0006","90","","90","","90","","1520.8","0.3","215","2","215","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C10 H20 O2 S Si2 -","- C10 H20 O2 S Si2 -","- C40 H80 O8 S4 Si8 -","4","0.5","","Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew","2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II","RSC Advances","2012","2","5","1870","","10.1039/c1ra00728a","","","0.71073","MoKα","","0.0491","0.0336","","","0.0894","0.1033","","","","","","1.094","","","","has coordinates","244182","2020-10-21","18:00:00",""
"7238461","20.6494","0.0013","35.261","0.002","10.1318","0.0006","90","","115.004","0.001","90","","6685.8","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H72 N9 O48 S12 Sm5 -","- C18 H60 N9 O48 S12 Sm5 -","- C72 H240 N36 O192 S48 Sm20 -","4","0.5","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0329","0.0252","","","0.0713","0.0853","","","","","","1.144","","","","has coordinates,has disorder","244183","2020-10-21","18:00:00",""
"7238462","21.761","0.004","14.877","0.002","10.4238","0.0017","90","","90","","90","","3374.6","0.9","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C8 H40 N8 O28 S7 Sm2 -","- C8 H40 N8 O28 S7 Sm2 -","- C32 H160 N32 O112 S28 Sm8 -","4","1","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0429","0.0325","","","0.0654","0.0688","","","","","","1.019","","","","has coordinates","244183","2020-10-21","18:00:00",""
"7238463","9.237","0.003","9.364","0.003","9.557","0.003","70.491","0.002","78.215","0.003","79.378","0.003","756.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 N O14 S3 Sm -","- C2 H14 N O14 S3 Sm -","- C4 H28 N2 O28 S6 Sm2 -","2","1","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0251","0.0232","","","0.0596","0.0605","","","","","","1.066","","","","has coordinates","244183","2020-10-21","18:00:00",""
"7238464","9.618","0.003","10.496","0.004","10.535","0.004","71.826","0.004","73.584","0.004","76.454","0.004","956.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N3 O12 S3 Sm -","- C6 H24 N3 O12 S3 Sm -","- C12 H48 N6 O24 S6 Sm2 -","2","1","","Zhang, Deng; Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Zhu, Dunru","Structural systematic design of organic templated samarium sulfates and their luminescence property","RSC Adv.","2012","2","1","217","","10.1039/C1RA00749A","","","0.71073","MoKα","","0.0494","0.0424","","","0.1088","0.114","","","","","","1.011","","","","has coordinates,has disorder","244183","2020-10-21","18:00:00",""
"7238465","11.227","0.002","8.4499","0.0017","27.587","0.006","90","","91.82","0.03","90","","2615.8","0.9","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 F3 N O3 P Pd S -","- C22 H39 F3 N O3 P Pd S -","- C88 H156 F12 N4 O12 P4 Pd4 S4 -","4","1","","Beck, John F.; Schmidt, Joseph A.R.","Hydroamination of 1,1-dimethylallene with primary aryl amines under mild conditions: An atom-economical route to N-(1,1-dimethyl-2-propenyl)-anilines","RSC Adv.","2012","2","1","128","","10.1039/C1RA00795E","","","0.71073","MoKα","","0.0421","0.0328","","","0.0762","0.0817","","","","","","1.069","","","","has coordinates","244184","2020-10-21","18:00:00",""
"7238466","10.007","0.002","19.208","0.005","15.433","0.003","90","","99.743","0.004","90","","2923.7","1.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N4 O2 -","- C35 H36 N4 O2 -","- C140 H144 N16 O8 -","4","1","","Wu, Jieyun; Liu, Jialei; Zhou, Tingting; Bo, Shuhui; Qiu, Ling; Zhen, Zhen; Liu, Xinhou","Enhanced electro-optic coefficient (r33) in nonlinear optical chromospheres with novel donor structure","RSC Adv.","2012","2","4","1416","","10.1039/C1RA00838B","","","0.71073","MoKα","","0.1432","0.0618","","","0.0869","0.1003","","","","","","0.979","","","","has coordinates","244185","2020-10-21","18:00:00",""
"7238467","13.437","0.003","8.1496","0.0019","23.189","0.006","90","","96.921","0.004","90","","2520.8","1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N4 O2 -","- C29 H28 N4 O2 -","- C116 H112 N16 O8 -","4","1","","Wu, Jieyun; Liu, Jialei; Zhou, Tingting; Bo, Shuhui; Qiu, Ling; Zhen, Zhen; Liu, Xinhou","Enhanced electro-optic coefficient (r33) in nonlinear optical chromospheres with novel donor structure","RSC Adv.","2012","2","4","1416","","10.1039/C1RA00838B","","","0.71073","MoKα","","0.1116","0.0552","","","0.0942","0.109","","","","","","0.998","","","","has coordinates","244185","2020-10-21","18:00:00",""
"7238468","14.942","0.002","18.073","0.003","17.298","0.003","90","","93.44","0.004","90","","4662.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Pd(PP3)2)Cl2.4CHCl3","[Pd(PP3)2]Cl2.4CHCl3","","- C88 H84 Cl14 P8 Pd -","- C88 H84 Cl14 P8 Pd -","- C176 H168 Cl28 P16 Pd2 -","2","0.5","","Fernández-Anca, Damián; García-Seijo, M. Inés; García-Fernández, M. Esther","Transition of trigonal-bipyramidal to square-planar geometries by oxidation of a coordinated tripodal polyphosphine in Pd(ii) and Pt(ii) complexes","RSC Adv.","2012","2","4","1404","","10.1039/C1RA00897H","","","0.71073","MoKα","","0.1769","0.0672","","","0.1506","0.1999","","","","","","0.908","","","","has coordinates","244186","2020-10-21","18:00:00",""
"7238469","11.808","0.006","13.975","0.007","15.675","0.007","105.495","0.007","98.909","0.007","102.948","0.007","2365","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Pd(P(PO)2)2)Cl2.2MeOH.6H2O","[Pd(P(PO)2)2]Cl2.2MeOH.6H2O","","- C86 H90 Cl2 O12 P8 Pd -","- C86 H90 Cl2 O12 P8 Pd -","- C86 H90 Cl2 O12 P8 Pd -","1","0.5","","Fernández-Anca, Damián; García-Seijo, M. Inés; García-Fernández, M. Esther","Transition of trigonal-bipyramidal to square-planar geometries by oxidation of a coordinated tripodal polyphosphine in Pd(ii) and Pt(ii) complexes","RSC Adv.","2012","2","4","1404","","10.1039/C1RA00897H","","","0.71073","MoKα","","0.0998","0.0685","","","0.2029","0.2402","","","","","","1.095","","","","has coordinates","244186","2020-10-21","18:00:00",""
"7238470","36.211","0.005","14.7523","0.0019","20.89","0.003","90","","106.565","0.003","90","","10696","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(Pd(PP2PO)Cl)(S(CH3)3(CH2)3(SO3)).4H2O","[Pd(PP2PO)Cl][S(CH3)3(CH2)3(SO3)].4H2O","","- C48 H57 Cl O8 P4 Pd S2 -","- C48 H57 Cl O8 P4 Pd S2 -","- C384 H456 Cl8 O64 P32 Pd8 S16 -","8","1","","Fernández-Anca, Damián; García-Seijo, M. Inés; García-Fernández, M. Esther","Transition of trigonal-bipyramidal to square-planar geometries by oxidation of a coordinated tripodal polyphosphine in Pd(ii) and Pt(ii) complexes","RSC Adv.","2012","2","4","1404","","10.1039/C1RA00897H","","","0.71073","MoKα","","0.1715","0.0645","","","0.1523","0.2015","","","","","","0.891","","","","has coordinates","244186","2020-10-21","18:00:00",""
"7238471","10.433","0.0003","14.2442","0.0003","18.2189","0.0005","80.194","0.002","84.401","0.003","87.677","0.002","2654.43","0.12","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H55 Cl2 O4 P3 Ru S2 -","- C56.999 H54.998 Cl1.998 O4 P3 Ru S2 -","- C113.998 H109.996 Cl3.996 O8 P6 Ru2 S4 -","2","1","","Patel, Payel; Naeem, Saira; White, Andrew J. P.; Wilton-Ely, James D. E. T.","Synthesis and reactivity of dialkyldithiophosphate complexes of ruthenium(ii)","RSC Adv.","2012","2","3","999","","10.1039/C1RA00973G","","","1.54184","CuKα","","0.0421","0.0356","","","0.0883","0.0925","","","","","","1.049","","","","has coordinates,has disorder","244187","2020-10-21","18:00:00",""
"7238472","9.337","0.001","12.272","0.001","17.763","0.001","99.83","0.01","103.22","0.01","105.48","0.01","1850.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40 F6 N2 O10 Ru2 S2 -","- C28 H40 F6 N2 O10 Ru2 S2 -","- C56 H80 F12 N4 O20 Ru4 S4 -","2","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0864","0.0581","","","","0.1704","","","","","","1.11","","","","has coordinates,has disorder","244188","2020-10-21","18:00:00",""
"7238473","16.0879","0.0006","10.0754","0.0004","17.8788","0.0006","90","","100.934","0.003","90","","2845.4","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Cl N O2 Os -","- C13 H20 Cl N O2 Os -","- C104 H160 Cl8 N8 O16 Os8 -","8","2","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0405","0.0281","","","","0.05","","","","","","0.866","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238474","9.902","0.003","10.38","0.001","21.015","0.001","90","","90","","90","","2160","0.7","293","2","293","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C23 H24 Cl N O2 Ru -","- C23 H24 Cl N O2 Ru -","- C92 H96 Cl4 N4 O8 Ru4 -","4","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0946","0.0654","","","","0.1126","","","","","","1.123","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238475","17.902","0.001","14.938","0.001","19.641","0.001","90","","105.36","0.01","90","","5064.8","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 F6 N4 O10 Ru2 S2 -","- C46 H50 F6 N4 O10 Ru2 S2 -","- C184 H200 F24 N16 O40 Ru8 S8 -","4","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.1373","0.0982","","","","0.2391","","","","","","1.087","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238476","17.482","0.005","17.482","0.005","19.478","0.005","90","0.005","90","0.005","90","0.005","5953","3","293","2","293","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C29 H29 F3 N2 O5 Ru S -","- C29 H29 F3 N2 O5 Ru S -","- C232 H232 F24 N16 O40 Ru8 S8 -","8","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71069","MoKα","","0.1008","0.0522","","","","0.1293","","","","","","1.036","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238477","10.209","0.005","17.512","0.005","21.043","0.005","90","","90","","90","","3762","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H40 F6 N2 O8 Os2 S2 -","- C32 H40 F6 N2 O8 Os2 S2 -","- C128 H160 F24 N8 O32 Os8 S8 -","4","0.5","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71069","MoKα","","0.0788","0.0499","","","","0.222","","","","","","1.088","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238478","14.2845","0.0003","9.4565","0.0002","21.8716","0.0004","90","","105.511","0.002","90","","2846.84","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 F3 N3 O11 Os2 S -","- C20 H32 F3 N3 O11 Os2 S -","- C80 H128 F12 N12 O44 Os8 S4 -","4","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0243","0.0184","","","","0.0417","","","","","","0.958","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238479","10.345","0.007","10.589","0.006","11.221","0.004","67.47","0.04","67.79","0.04","82.84","0.05","1050.8","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 Fe N2 -","- C26 H22 Fe N2 -","- C52 H44 Fe2 N4 -","2","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0827","0.0568","","","0.1841","0.1949","","","","","","1.13","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238480","15.865","0.004","13.213","0.006","26.348","0.01","90","","90","","90","","5523","4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 Fe N2 O Pt S -","- C28 H28 Cl2 Fe N2 O Pt S -","- C224 H224 Cl16 Fe8 N16 O8 Pt8 S8 -","8","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.044","0.0414","","","0.1148","0.1174","","","","","","1.083","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238481","15.938","0.005","13.226","0.005","26.424","0.004","90","","90","","90","","5570","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 Fe N2 O Pd S -","- C28 H28 Cl2 Fe N2 O Pd S -","- C224 H224 Cl16 Fe8 N16 O8 Pd8 S8 -","8","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0761","0.0675","","","0.2041","0.2097","","","","","","1.082","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238482","9.817","0.006","11.219","0.005","19.794","0.009","76.47","0.03","82.46","0.03","69.94","0.03","1987.9","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 Cl3 Fe N2 P Pd -","- C45 H38 Cl3 Fe N2 P Pd -","- C90 H76 Cl6 Fe2 N4 P2 Pd2 -","2","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0502","0.0401","","","0.0995","0.1034","","","","","","1.078","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238483","10.625","0.006","12.789","0.005","14.469","0.006","93.58","0.02","105.39","0.02","107.09","0.02","1790.7","1.5","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Cl Fe N2 P Pd -","- C44 H36 Cl Fe N2 P Pd -","- C88 H72 Cl2 Fe2 N4 P2 Pd2 -","2","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0763","0.0624","","","0.1884","0.1978","","","","","","1.089","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238484","8.4026","0.0012","8.5005","0.0011","11.1893","0.0016","94.214","0.011","93.028","0.011","106.597","0.018","761.6","0.2","153","2","153","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H12 Co N2 O6 V2 -","- C12 H12 Co N2 O6 V2 -","- C24 H24 Co2 N4 O12 V4 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Larrea, Edurne S.; Rojo, Teófilo; Arriortua, María I.","Compositional space diagrams and crystallization sequences in M/Bpa/NaVO3 (M = Ni, Co) systems. Physical properties of [{Ni(H2O)(Bpa)}(VO3)2]·2H2O and {Co(Bpa)}(VO3)2 3D hybrid vanadates","CrystEngComm","2012","14","20","6921","","10.1039/c2ce25426c","","","0.71073","MoKα","","0.0583","0.0293","","","0.0545","0.0603","","","","","","0.851","","","","has coordinates","244190","2020-10-21","18:00:00",""
"7238485","28.258","0.005","9.612","0.005","14.579","0.005","90","0.005","110.191","0.005","90","0.005","3717","2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 Ni O9 V2 -","- C12 H14 N2 Ni O9 V2 -","- C96 H112 N16 Ni8 O72 V16 -","8","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Larrea, Edurne S.; Rojo, Teófilo; Arriortua, María I.","Compositional space diagrams and crystallization sequences in M/Bpa/NaVO3 (M = Ni, Co) systems. Physical properties of [{Ni(H2O)(Bpa)}(VO3)2]·2H2O and {Co(Bpa)}(VO3)2 3D hybrid vanadates","CrystEngComm","2012","14","20","6921","","10.1039/c2ce25426c","","","0.71073","MoKα","","0.0824","0.0389","","","0.0678","0.0768","","","","","","0.709","","","","has coordinates,has disorder","244190","2020-10-21","18:00:00",""
"7238486","23.9581","0.0009","23.9581","0.0009","29.2285","0.0014","90","","90","","120","","14529.2","1","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C83 H123 N13 O20 Zn -","- C45 O8 Zn -","- C270 O48 Zn6 -","6","0.5","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.1937","0.0752","","","0.1767","0.1836","","","","","","1.017","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238487","23.965","0.003","23.965","0.003","26.192","0.006","90","","90","","120","","13027","4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C85 H110 N12 O20 Zn2 -","- C53 N O10 Zn2 -","- C318 N6 O60 Zn12 -","6","1","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.0832","0.0739","","","0.1947","0.2012","","","","","","1.064","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238488","7.5043","0.0018","20.894","0.005","7.5043","0.0018","90","","90.58","","90","","1176.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0486","0.0442","","","0.1182","0.1228","","","","","","1.05","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238489","6.5078","0.0011","19.897","0.002","10.9177","0.0018","90","","90","","90","","1413.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C48 H68 N12 O28 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.043","0.0368","","","0.0844","0.0887","","","","","","1.044","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238490","10.3173","0.0014","7.4516","0.0012","26.221","0.004","90","","90","","90","","2015.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0712","0.053","","","0.1177","0.127","","","","","","1.046","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238491","8.4396","0.0014","8.5941","0.0015","8.9356","0.0015","88.535","0.004","84.804","0.004","66.083","0.004","589.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C22 H30 N2 O12 -","2","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0552","0.0487","","","0.1279","0.1344","","","","","","1.054","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238492","12.0146","0.0009","9.6205","0.0007","11.997","0.0009","90","","114.803","0.001","90","","1258.78","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0833","0.0782","","","0.2502","0.2579","","","","","","1.057","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238493","12.941","0.003","11.979","0.002","7.0729","0.0012","90","","102.278","0.004","90","","1071.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C44 H52 N4 O16 -","2","0.5","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0796","0.0541","","","0.1478","0.1678","","","","","","1.033","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238494","14.95","0.002","7.5242","0.0015","16.563","0.003","90","","92.834","0.002","90","","1860.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C76 H92 N4 O24 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.082","0.0622","","","0.1836","0.2038","","","","","","1.038","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238495","10.875","0.004","13.254","0.003","14.054","0.003","90","","109.04","0.04","90","","1914.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O3 -","- C10 H10 N O3 -","- C80 H80 N8 O24 -","8","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1779","0.077","","","0.1543","0.2005","","","","","","1.002","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238496","7.2391","0.0014","8.013","0.0016","13.094","0.003","106.01","0.03","102.96","0.03","94.23","0.03","704","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1462","0.0881","","","0.2044","0.2523","","","","","","1.019","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238497","13.15","0.003","13.022","0.003","7.241","0.0014","90","","90","","90","","1239.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1216","0.0607","","","0.1158","0.1395","","","","","","1.02","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238498","10.446","0.002","7.5939","0.0015","30.513","0.006","90","","99","0.03","90","","2390.7","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 O32 Sm2 -","- C40 H32 Co3 N8 O32 Sm2 -","- C80 H64 Co6 N16 O64 Sm4 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0679","0.0554","","","0.1365","0.1436","","","","","","1.04","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238499","10.477","0.002","7.6575","0.0015","30.456","0.006","90","","99.06","0.03","90","","2412.9","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 O32 Pr2 -","- C40 H32 Co3 N8 O32 Pr2 -","- C80 H64 Co6 N16 O64 Pr4 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0346","0.0312","","","0.0738","0.0758","","","","","","1.04","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238500","10.467","0.002","7.6374","0.0015","30.492","0.006","90","","99.05","0.03","90","","2407.2","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 Nd2 O32 -","- C40 H32 Co3 N8 Nd2 O32 -","- C80 H64 Co6 N16 Nd4 O64 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0319","0.0285","","","0.0688","0.0707","","","","","","1.027","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238501","9.66","0.009","9.651","0.009","13.59","0.012","90","","128.17","0.05","90","","996.1","1.7","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) chloride","","- C20 H24 Cl Fe N4 O4 -","- C20 H24 Cl Fe N4 O4 -","- C40 H48 Cl2 Fe2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.057","0.0306","","","0.0604","0.0657","","","","","","0.98","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238502","9.9131","0.0004","9.6378","0.0004","13.735","0.0007","90","","129.198","0.003","90","","1016.95","0.09","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) chloride","","- C20 H24 Br Fe N4 O4 -","- C20 H24 Br Fe N4 O4 -","- C40 H48 Br2 Fe2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.0416","0.0297","","","0.0774","0.08","","","","","","1.036","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238503","10.168","0.003","9.68","0.003","13.871","0.004","90","","130.17","0.02","90","","1043.2","0.6","160","2","160","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) iodide","","- C20 H24 Fe I N4 O4 -","- C20 H24 Fe I N4 O4 -","- C40 H48 Fe2 I2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.083","0.062","","","0.154","0.1624","","","","","","1.107","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238504","36.256","0.004","54.989","0.005","16.0501","0.0014","90","","90","","90","","31999","5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 La N21 O34.5 -","- C50 H60 Cl2 La N20 O13 -","- C800 H960 Cl32 La16 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0759","0.0744","","","0.1931","0.1945","","","","","","1.012","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238505","14.7746","0.0011","20.9988","0.0014","26.1823","0.0018","100.806","0.003","98.196","0.003","94.875","0.003","7845.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H117 Cl2 Dy4 N40 O36 -","- C100 H117 Cl2 Dy4 N40 O36 -","- C200 H234 Cl4 Dy8 N80 O72 -","2","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.067","0.044","","","0.0855","0.0904","","","","","","1.03","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238506","26.288","0.011","28.856","0.012","20.917","0.009","90","","100.996","0.005","90","","15576","11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 Cl6 Er2 N20 O30 -","- C50 H60 Cl2 Er2 N20 O17 -","- C400 H480 Cl16 Er16 N160 O136 -","8","2","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.122","0.0679","","","0.1533","0.1688","","","","","","1.025","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238507","26.324","0.007","28.868","0.007","20.957","0.005","90","","100.9","0.003","90","","15638","7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 Cl6 Ho2 N20 O30 -","- C50 H60 Cl2 Ho2 N20 O17 -","- C400 H480 Cl16 Ho16 N160 O136 -","8","2","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.1415","0.0862","","","0.165","0.1857","","","","","","1.003","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238508","26.971","0.004","18.358","0.003","30.331","0.007","90","","114.565","0.002","90","","13659","4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N21 Nd O29 -","- C50 H60 Cl2 N20 Nd O12 -","- C400 H480 Cl16 N160 Nd8 O96 -","8","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0931","0.0762","","","0.2158","0.2296","","","","","","1.03","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238509","35.89","0.008","55.191","0.012","16.106","0.004","90","","90","","90","","31903","13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 N21 O34.5 Pr -","- C50 H60 Cl2 N20 O13 Pr -","- C800 H960 Cl32 N320 O208 Pr16 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0647","0.0593","","","0.1528","0.157","","","","","","1.01","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238510","27.1046","0.0013","18.3417","0.0009","30.4416","0.0015","90","","114.564","0.002","90","","13764.2","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N21 O29 Sm -","- C50 H60 Cl2 N20 O12 Sm -","- C400 H480 Cl16 N160 O96 Sm8 -","8","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0704","0.0533","","","0.1452","0.1538","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238511","35.869","0.015","55.15","0.02","16.021","0.006","90","","90","","90","","31692","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Ce Cl2 N21 O34.5 -","- C50 H57 Ce Cl2 N20 O13 -","- C800 H912 Ce16 Cl32 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.109","0.0793","","","0.1874","0.2014","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238512","11.06","0.03","16.45","0.04","10.99","0.04","90","","111.4","0.2","90","","1862","10","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","EDO-TTF-U","","","- C16 H16 N2 O4 S4 -","- C16 H16 N2 O4 S4 -","- C64 H64 N8 O16 S16 -","4","1","","Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF","CrystEngComm","2012","14","20","6881","","10.1039/c2ce25889g","","","0.71075","MoKα","","0.181","0.0994","","","0.2333","0.341","","","","","","0.928","","","","has coordinates","244198","2020-10-21","18:00:00",""
"7238513","7.2485","0.0013","10.373","0.002","16.028","0.003","89.459","0.009","77.009","0.007","79.014","0.008","1152.1","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","(EDO-TTF-U)2(TCNQ)","","","- C44 H36 N8 O8 S8 -","- C44 H36 N8 O8 S8 -","- C44 H36 N8 O8 S8 -","1","0.5","","Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF","CrystEngComm","2012","14","20","6881","","10.1039/c2ce25889g","","","0.7107","MoKα","","0.0765","0.0447","","","0.1074","0.177","","","","","","0.984","","","","has coordinates","244198","2020-10-21","18:00:00",""
"7238514","12.3811","0.0005","12.3811","0.0005","41.398","0.003","90","","90","","120","","5495.8","0.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","(Co(N4C6H18)(H2O))3V15Sb6O42(H2O)H2O","","","- C18 H58 Co3 N12 O47 Sb6 V15 -","- C18 H54 Co3 N12 O47.6 Sb6 V15 -","- C54 H162 Co9 N36 O142.8 Sb18 V45 -","3","0.333333","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0355","0.0301","","","0.0703","0.0724","","","","","","0.996","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238515","27.8795","0.0011","22.9567","0.0009","32.2932","0.0013","90","","113.717","0.004","90","","18922.8","1.4","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H214 Co6 N42 O97 Sb12 V30 -","- C62 H188 Co6 N42 O97 Sb12 V30 -","- C248 H752 Co24 N168 O388 Sb48 V120 -","4","1","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.073","0.047","","","0.1198","0.1315","","","","","","0.966","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238516","30.601","0.006","13.901","0.003","23.093","0.005","90","","128.1","0.03","90","","7730","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H90 Co2 N16 O49 Sb4 V16 -","- C24 H76 Co2 N16 O49 Sb4 V16 -","- C96 H304 Co8 N64 O196 Sb16 V64 -","4","0.5","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0414","0.0314","","","0.0608","0.0634","","","","","","1.1","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238517","8.9771","0.0006","11.0283","0.0007","12.0901","0.0006","74.718","0.005","85","0.005","81.608","0.006","1140.77","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0563","0.0418","","","0.0838","0.0925","","","","","","1.057","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238518","22.1231","0.001","12.5698","0.0004","18.1222","0.0007","90","","109.511","0.005","90","","4750.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N8 O4 Zn -","- C23 H16 N8 O4 Zn -","- C184 H128 N64 O32 Zn8 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0559","0.036","","","0.0745","0.0816","","","","","","1.026","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238519","10.817","0.0005","11.0298","0.0007","11.3773","0.0006","114.656","0.006","104.715","0.004","95.911","0.005","1159","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0627","0.0469","","","0.1096","0.1192","","","","","","1.036","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238520","25.9785","0.0007","10.1939","0.0002","19.4052","0.0005","90","","101.07","0.003","90","","5043.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N8 O7.5 Zn2 -","- C24 H16 N8 O7.5 Zn2 -","- C192 H128 N64 O60 Zn16 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0555","0.0432","","","0.1039","0.1114","","","","","","1.026","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238521","11.8534","0.0005","15.0975","0.0005","12.565","0.0005","90","","111.268","0.005","90","","2095.45","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N8 O6 Zn -","- C20 H17 N8 O6 Zn -","- C80 H68 N32 O24 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0556","0.0414","","","0.1053","0.1157","","","","","","1.041","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238522","9.7186","0.0005","11.4928","0.0006","11.6881","0.0006","63.618","0.005","80.197","0.005","81.893","0.004","1149.28","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0881","0.0565","","","0.1093","0.1252","","","","","","1.016","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238523","9.8552","0.0003","23.1468","0.0008","10.2245","0.0004","90","","98.033","0.003","90","","2309.49","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N8 O6 Zn -","- C23 H20 N8 O6 Zn -","- C92 H80 N32 O24 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0767","0.0474","","","0.0804","0.0897","","","","","","1.015","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238524","25.5723","0.0013","10.2646","0.0003","20.2916","0.0009","90","","112.618","0.006","90","","4916.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N8 O8 Zn2 -","- C24 H18 N8 O8 Zn2 -","- C192 H144 N64 O64 Zn16 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0737","0.0443","","","0.0777","0.0868","","","","","","1.01","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238525","11.9521","0.001","12.4769","0.0012","12.7864","0.001","117.498","0.005","99.008","0.006","103.867","0.006","1561","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O -","- C10 H20 O -","- C60 H120 O6 -","6","3","","Corvis, Yohann; Négrier, Philippe; Massip, Stéphane; Leger, Jean-Michel; Espeau, Philippe","Insights into the crystal structure, polymorphism and thermal behavior of menthol optical isomers and racemates","CrystEngComm","2012","14","20","7055","","10.1039/c2ce26025e","","","1.5418","CuKα","","0.0817","0.064","","","0.1528","0.1683","","","","","","1.02","","","","has coordinates,has disorder","244201","2020-10-21","18:00:00",""
"7238526","10.1137","0.0008","8.512","0.0007","13.9992","0.0012","90","","110.61","0.001","90","","1128.03","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cytosinium-2,5-dihydroxybenzoate","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0374","0.0347","","","0.0906","0.0926","","","","","","1.087","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238527","5.0257","0.0003","24.5327","0.0015","13.1664","0.0008","90","","90.462","0.001","90","","1623.29","0.17","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cytosinium-3,5-dinitrobenzoate trihydrate","","","- C11 H15 N5 O10 -","- C11 H15 N5 O10 -","- C44 H60 N20 O40 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0702","0.0647","","","0.1312","0.1338","","","","","","1.248","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238528","14.9164","0.001","12.3456","0.0008","19.9754","0.0013","90","","90","","90","","3678.5","0.4","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cytosinium 4-hydroxyphenylacetate cytosine monohydrate","","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C128 H160 N48 O48 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0395","0.0356","","","0.0934","0.0965","","","","","","1.041","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238529","7.3666","0.0003","6.4615","0.0003","36.9629","0.0016","90","","94.462","0.001","90","","1754.08","0.13","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cytosinium para amino benzoate cytosine monohydrate","","","- C15 H19 N7 O5 -","- C15 H19 N7 O5 -","- C60 H76 N28 O20 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0548","0.0514","","","0.1415","0.145","","","","","","1.117","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238530","6.6211","0.0004","12.0765","0.0008","17.3375","0.0011","105.37","0.006","90.852","0.005","91.274","0.005","1336.08","0.15","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C39 H27 -","- C39 H27 -","- C78 H54 -","2","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.1193","0.0661","","","0.1291","0.1495","","","","","","1.051","","","","has coordinates,has disorder","244203","2020-10-21","18:00:00",""
"7238531","5.5771","0.0003","12.0652","0.0006","25.9356","0.0012","90","","90","","90","","1745.18","0.15","293","2","293.15","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.087","0.0474","","","0.0858","0.0995","","","","","","0.98","","","","has coordinates","244203","2020-10-21","18:00:00",""
"7238532","12.5169","0.0017","6.1861","0.0007","12.2167","0.0018","90","","110.239","0.015","90","","887.5","0.2","293","2","293.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 -","- C13 H9 -","- C52 H36 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.1165","0.0617","","","0.142","0.1743","","","","","","1.037","","","","has coordinates,has disorder","244203","2020-10-21","18:00:00",""
"7238533","12.3979","0.0003","8.9255","0.0004","10.8594","0.0005","90","","97.544","0.004","90","","1191.27","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 F N O7 P2 Zr -","- C5 F N O7 P2 Zr -","- C20 F4 N4 O28 P8 Zr4 -","4","1","","Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo","Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films","Journal of Materials Chemistry","2012","22","11","5098","","10.1039/c2jm15201k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08795","","4.93","","","","","","","has coordinates","244221","2020-10-21","18:00:00",""
"7238534","13.453","0.001","8.915","0.001","10.863","0.002","90","","106.51","0.01","90","","1249.1","0.3","373","","373","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 F N O7 P2 Zr -","- C6 F N O7 P2 Zr -","- C24 F4 N4 O28 P8 Zr4 -","4","1","","Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo","Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films","Journal of Materials Chemistry","2012","22","11","5098","","10.1039/c2jm15201k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06076","","4.61","","","","","","","has coordinates","244221","2020-10-21","18:00:00",""
"7238535","14.4786","0.0006","8.89","0.002","10.882","0.001","90","","93.86","0.02","90","","1397.5","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 F N O7 P2 Zr -","- C7 F N O7 P2 Zr -","- C28 F4 N4 O28 P8 Zr4 -","4","1","","Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo","Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films","Journal of Materials Chemistry","2012","22","11","5098","","10.1039/c2jm15201k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07569","","6.52","","","","","","","has coordinates","244221","2020-10-21","18:00:00",""
"7238536","26.2572","0.0017","7.2012","0.0003","10.3231","0.0005","90","","98.87","0.005","90","","1928.58","0.18","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 B F2 O4 -","- C21 H19 B F2 O4 -","- C84 H76 B4 F8 O16 -","4","0.5","","Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing","A mechanistic investigation of mechanochromic luminescent organoboron materials","Journal of Materials Chemistry","2012","22","33","17332","","10.1039/c2jm32809g","","","0.71073","MoKα","","0.0942","0.0541","","","0.1318","0.155","","","","","","1.05","","","","has coordinates","244222","2020-10-21","18:00:00",""
"7238537","10.6842","0.0007","7.2837","0.0004","12.8423","0.0007","90","","120.355","0.007","90","","862.39","0.11","291","2","291","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H17 B F2 O4 -","- C19 H17 B F2 O4 -","- C38 H34 B2 F4 O8 -","2","1","","Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing","A mechanistic investigation of mechanochromic luminescent organoboron materials","Journal of Materials Chemistry","2012","22","33","17332","","10.1039/c2jm32809g","","","1.54184","CuKα","","0.0807","0.0727","","","0.1812","0.1899","","","","","","1.009","","","","has coordinates","244222","2020-10-21","18:00:00",""
"7238538","21.1856","0.0012","7.1155","0.0004","10.3692","0.0006","90","","96.363","0.005","90","","1553.49","0.15","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C68 H60 B4 F8 O16 -","4","0.5","","Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing","A mechanistic investigation of mechanochromic luminescent organoboron materials","Journal of Materials Chemistry","2012","22","33","17332","","10.1039/c2jm32809g","","","0.71073","MoKα","","0.0642","0.0454","","","0.1163","0.1323","","","","","","1.047","","","","has coordinates","244222","2020-10-21","18:00:00",""
"7238539","7.5089","0.0004","14.414","0.0007","21.5562","0.001","90","","90","","90","","2333.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br3 N -","- C27 H24 Br3 N -","- C108 H96 Br12 N4 -","4","1","","Fang, Zhen; Chellappan, Vijila; Webster, Richard D.; Ke, Lin; Zhang, Tianfu; Liu, Bin; Lai, Yee-Hing","Bridged-triarylamine starburst oligomers as hole transporting materials for electroluminescent devices","Journal of Materials Chemistry","2012","22","30","15397","","10.1039/c2jm32840b","","","0.71073","MoKα","","0.0512","0.0373","","","0.0733","0.0771","","","","","","1.015","","","","has coordinates","244223","2020-10-21","18:00:00",""
"7238540","15.605","0.003","15.605","0.004","13.601","0.004","90","","90","","90","","3312.1","1.4","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C17 H24 N14 O2 Zn -","- C9 H3 N12 Zn -","- C36 H12 N48 Zn4 -","4","0.25","","Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min","Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites","Journal of Materials Chemistry","2012","22","34","17947","","10.1039/c2jm32990e","","","0.71069","MoKα","","0.0829","0.0523","","","0.1418","0.1498","","","","","","0.971","","","","has coordinates","244224","2020-10-21","18:00:00",""
"7238541","29.667","0.004","29.667","0.004","22.161","0.006","90","","90","","120","","16891","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C131 H204 N90 O23 Zn7 -","- C78 H72 N78 O6 Zn7 -","- C234 H216 N234 O18 Zn21 -","3","0.166667","","Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min","Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites","Journal of Materials Chemistry","2012","22","34","17947","","10.1039/c2jm32990e","","","0.71069","MoKα","","0.2034","0.1147","","","0.3185","0.382","","","","","","1.181","","","","has coordinates","244224","2020-10-21","18:00:00",""
"7238542","28.993","0.003","28.993","0.003","21.958","0.003","90","","90","","120","","15985","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C22 H35 Cl2 N15 O4 Zn2 -","- C9 H3 Cl2 N12 Zn2 -","- C162 H54 Cl36 N216 Zn36 -","18","0.5","","Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min","Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites","Journal of Materials Chemistry","2012","22","34","17947","","10.1039/c2jm32990e","","","0.71073","MoKα","","0.1032","0.0643","","","0.2026","0.222","","","","","","1.09","","","","has coordinates","244224","2020-10-21","18:00:00",""
"7238543","14.707","0.002","5.1858","0.0008","17.973","0.003","90","","90","","90","","1370.8","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 Co N4 -","- C18 H14 Co N4 -","- C72 H56 Co4 N16 -","4","1","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","0.71073","MoKα","","0.084","0.0535","","","0.1272","0.1457","","","","","","1.062","","","","has coordinates","244225","2020-10-21","18:00:00",""
"7238544","9.385","0.0009","13.304","0.0012","15.3654","0.0011","74.895","0.007","81.155","0.007","75.541","0.008","1785.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H36 Cl2 Co2 N8 -","- C43 H36 Cl2 Co2 N8 -","- C86 H72 Cl4 Co4 N16 -","2","1","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","1.54184","CuKα","","0.0967","0.0833","","0.0767","0.0728","0.0728","","","","","","1.1254","","","","has coordinates,has disorder","244225","2020-10-21","18:00:00",""
"7238545","19.416","0.005","5.1511","0.0012","14.878","0.004","90","","112.394","0.003","90","","1375.8","0.6","150.1","","150.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cu N4 -","- C18 H14 Cu N4 -","- C72 H56 Cu4 N16 -","4","1","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","0.7107","MoKα","","","0.0364","","","","0.105","","","","","","1.065","","","","has coordinates","244225","2020-10-21","18:00:00",""
"7238546","20.428","0.004","12.905","0.002","6.973","0.0012","90","","90","","90","","1838.2","0.6","150.1","","150.1","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C26 H18 N4 Ni -","- C26 H18 N4 Ni -","- C104 H72 N16 Ni4 -","4","0.5","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","0.7107","MoKα","","","0.0377","","","","0.0962","","","","","","1.072","","","","has coordinates","244225","2020-10-21","18:00:00",""
"7238547","15.3573","0.0003","7.4862","0.0001","27.068","0.0005","90","","103.435","0.001","90","","3026.79","0.09","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 Mg N6 O6 Si2 -","- C66 H74 Mg N6 O6 Si2 -","- C132 H148 Mg2 N12 O12 Si4 -","2","0.5","","Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka","Soluble porphyrin donors for small molecule bulk heterojunction solar cells","Journal of Materials Chemistry","2012","22","36","19258","","10.1039/c2jm33956k","","","1.54187","CuKα","","0.1096","0.0775","","","0.2148","0.2465","","","","","","1.033","","","","has coordinates","244226","2020-10-21","18:00:00",""
"7238548","10.7018","0.0002","16.4164","0.0003","16.4397","0.0003","102.654","0.001","98.991","0.001","95.304","0.001","2759.28","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","MgTIPSTEP-Ph","DiphenylethynylBistriisopropylsilylethynelPorphyrinMg","","- C60 H68 Mg N4 O2 Si2 -","- C60 H68 Mg N4 O2 Si2 -","- C120 H136 Mg2 N8 O4 Si4 -","2","1","","Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka","Soluble porphyrin donors for small molecule bulk heterojunction solar cells","Journal of Materials Chemistry","2012","22","36","19258","","10.1039/c2jm33956k","","","1.54187","CuKα","","0.2162","0.1206","","","0.3153","0.4209","","","","","","1.202","","","","has coordinates,has disorder","275222","2022-05-08","21:48:35",""
"7238549","10.7181","0.0013","17.865","0.003","41.906","0.004","90","","90","","90","","8024.1","1.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H35 F6 Ir N6 O0.5 P -","- C48 H35 F6 Ir N6 O0.5 P -","- C384 H280 F48 Ir8 N48 O4 P8 -","8","1","","Tordera, Daniel; Pertegás, Antonio; Shavaleev, Nail M.; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Grätzel, Michael; Nazeeruddin, Mohammad K.","Efficient orange light-emitting electrochemical cells","Journal of Materials Chemistry","2012","22","36","19264","","10.1039/c2jm33969b","","","0.71073","MoKα","","0.0552","0.0441","","","0.0777","0.0814","","","","","","1.174","","","","has coordinates","244227","2020-10-21","18:00:00",""
"7238550","8.2469","0.0002","11.3129","0.0002","10.3137","0.0002","90","","106.79","0.01","90","","921.21","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 I2 N2 S -","- C4 H5 I2 N2 S -","- C16 H20 I8 N8 S4 -","4","1","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.71073","MoKα","","0.0241","0.0201","","","0.0412","0.0421","","","","","","1.122","","","","has coordinates","244228","2020-10-21","18:00:00",""
"7238551","20.982","0.002","42.307","0.004","12.4442","0.001","90","","90","","90","","11046.5","1.7","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C96 H192 Cl6 I38 N48 S24 -","- C96 H192 Cl6 I38 N48 S24 -","- C192 H384 Cl12 I76 N96 S48 -","2","0.25","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.7107","MoKα","","0.0581","0.0437","","","0.0856","0.089","","","","","","1.109","","","","has coordinates","244228","2020-10-21","18:00:00",""
"7238552","14.502","0.002","12.31","0.002","12.354","0.002","90","","111.59","0.01","90","","2050.7","0.6","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Cl I9 N8 S4 -","- C16 H32 Cl I9 N8 S4 -","- C32 H64 Cl2 I18 N16 S8 -","2","0.5","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.71073","MoKα","","0.0971","0.0365","","","0.043","0.0452","","","","","","0.882","","","","has coordinates","244228","2020-10-21","18:00:00",""
"7238553","12.2118","0.0001","25.3633","0.0002","5.6918","0.0001","90","","90","","90","","1762.93","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H16 I3 N4 S2 -","- C8 H16 I3 N4 S2 -","- C32 H64 I12 N16 S8 -","4","1","","Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.","Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine","RSC Advances","2012","2","7","2856","","10.1039/c2ra00013j","","","0.71073","MoKα","","0.0636","0.0624","","","0.1751","0.1764","","","","","","1.073","","","","has coordinates","244228","2020-10-21","18:00:00",""
"7238554","9.7301","0.0009","54.938","0.005","5.4824","0.0005","90","","92.879","0.006","90","","2926.9","0.5","104","2","104","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H29 N5 O -","- C39 H29 N5 O -","- C156 H116 N20 O4 -","4","1","","Bhaumik, Chanchal; Maity, Dinesh; Das, Shyamal; Baitalik, Sujoy","Synthesis, structural characterization, solvatochromism, and ion-binding studies of a ditopic receptor based on 2-(4-[2,2′: 6′,2′′]terpyridin-4′-yl-phenyl)-1H-phenanthro[9,10-d] imidazole (tpy-HImzphen) unit","RSC Advances","2012","2","6","2581","","10.1039/c2ra00023g","","","0.71073","MoKα","","0.0664","0.0428","","","0.0992","0.1115","","","","","","0.897","","","","has coordinates","244229","2020-10-21","18:00:00",""
"7238555","14.853","0.003","22.747","0.003","25.64","0.004","90","","90","","90","","8663","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H40 N10 -","- C52 H40 N10 -","- C416 H320 N80 -","8","1","","Takase, Masayoshi; Yoshida, Naofumi; Narita, Tomoyuki; Fujio, Takashi; Nishinaga, Tohru; Iyoda, Masahiko","Sterically congested pyrrole-fused tetrathiafulvalene decamers as highly conductive amorphous molecular materials","RSC Advances","2012","2","8","3221","","10.1039/c2ra00035k","","","0.71073","MoKα","","0.0686","0.0431","","","0.1172","0.143","","","","","","1.035","","","","has coordinates","244230","2020-10-21","18:00:00",""
"7238556","21.5703","0.0008","5.9474","0.0002","10.9774","0.0004","90","","90","","90","","1408.26","0.09","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 Fe O -","- C19 H14 Fe O -","- C76 H56 Fe4 O4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.0179","0.0177","","","0.0414","0.0415","","","","","","1.047","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238557","8.9366","0.0009","9.5424","0.001","12.1196","0.0014","90","","90","","90","","1033.52","0.19","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Fe O -","- C13 H10 Fe O -","- C52 H40 Fe4 O4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.0208","0.0195","","","0.0456","0.046","","","","","","1.087","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238558","5.8159","0.0004","18.8274","0.0015","10.1737","0.0008","90","","92.45","0.002","90","","1112.98","0.15","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Fe O -","- C14 H12 Fe O -","- C56 H48 Fe4 O4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.0335","0.0268","","","0.0636","0.0671","","","","","","1.056","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238559","25.389","0.0009","10.1455","0.0004","5.8173","0.0002","90","","90","","90","","1498.44","0.09","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 Fe O Si -","- C16 H18 Fe O Si -","- C64 H72 Fe4 O4 Si4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.029","0.0253","","","0.0651","0.0768","","","","","","1.186","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238560","6.7304","0.0004","7.6804","0.0004","23.0785","0.0013","90","","92.209","0.004","90","","1192.09","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O Se -","- C13 H15 N O Se -","- C52 H60 N4 O4 Se4 -","4","1","","Sengoden, Mani; Punniyamurthy, Tharmalingam","Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O","RSC Advances","2012","2","7","2736","","10.1039/c2ra00042c","","","0.71073","MoKα","","0.0596","0.0515","","","0.111","0.1223","","","","","","1.03","","","","has coordinates","244232","2020-10-21","18:00:00",""
"7238561","10.4808","0.0009","8.9744","0.0008","13.08","0.0012","90","","91.143","0.005","90","","1230.05","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Sengoden, Mani; Punniyamurthy, Tharmalingam","Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O","RSC Advances","2012","2","7","2736","","10.1039/c2ra00042c","","","0.71073","MoKα","","0.0654","0.0515","","","0.1412","0.1508","","","","","","1.085","","","","has coordinates","244232","2020-10-21","18:00:00",""
"7238562","12.7577","0.0007","10.0993","0.0006","11.6512","0.0007","90","","94.4","0.003","90","","1496.76","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I N O Se -","- C15 H12 I N O Se -","- C60 H48 I4 N4 O4 Se4 -","4","1","","Sengoden, Mani; Punniyamurthy, Tharmalingam","Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O","RSC Advances","2012","2","7","2736","","10.1039/c2ra00042c","","","0.71073","MoKα","","0.1363","0.0532","","","0.1609","0.246","","","","","","1.42","","","","has coordinates","244232","2020-10-21","18:00:00",""
"7238563","8.2269","0.0008","10.1265","0.0011","11.1995","0.0011","84.312","0.006","86.837","0.006","76.573","0.007","902.56","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","2","","Guin, Srimanta; Rout, Saroj Kumar; Ghosh, Tuhin; Khatun, Nilufa; Patel, Bhisma K.","A one pot synthesis of [1,3,4]-oxadiazoles mediated by molecular iodine","RSC Advances","2012","2","8","3180","","10.1039/c2ra00044j","","","0.71073","MoKα","","0.1067","0.0782","","","0.2253","0.2489","","","","","","1.093","","","","has coordinates","244233","2020-10-21","18:00:00",""
"7238564","17.103","0.002","17.103","0.002","7.1526","0.0014","90","","90","","90","","2092.2","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Cl2 Hg N12 O2 -","- C16 H12 Cl2 Hg N12 O2 -","- C64 H48 Cl8 Hg4 N48 O8 -","4","0.5","","Li, Yun-Wu; Tao, Ying; Wang, Li-Fu; Hu, Tong-Liang; Bu, Xian-He","New chiral coordination polymers constructed from well elaborated achiral and chiral ligands","RSC Advances","2012","2","10","4348","","10.1039/c2ra00046f","","","0.71073","MoKα","","0.0253","0.0225","","","0.0391","0.0396","","","","","","1.171","","","","has coordinates","244234","2020-10-21","18:00:00",""
"7238565","11.807","0.002","18.175","0.004","23.693","0.005","90","","90","","90","","5084.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N30 O2 Zn3 -","- C42 H42 N30 O2 Zn3 -","- C168 H168 N120 O8 Zn12 -","4","1","","Li, Yun-Wu; Tao, Ying; Wang, Li-Fu; Hu, Tong-Liang; Bu, Xian-He","New chiral coordination polymers constructed from well elaborated achiral and chiral ligands","RSC Advances","2012","2","10","4348","","10.1039/c2ra00046f","","","0.71073","MoKα","","0.0916","0.0697","","","0.1445","0.153","","","","","","1.146","","","","has coordinates","244234","2020-10-21","18:00:00",""
"7238566","10.952","0.002","11.761","0.0001","17.935","0.004","90","","105.09","0.001","90","","2230.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","naphtho isoquinoline","6-(4-benzyl-piperazin-1-yl)-2-ethyl-1,2,3,4,7,8- hexahydro-naphtho[2,1-h]isoquinoline-5-carbonitrile","","- C26 H31 N3 -","- C26 H31 N3 -","- C104 H124 N12 -","4","1","","Pratap, Ramendra; Raghunandan, Resmi; Maulik, P. R.; Ji Ram, Vishnu","Naphtho[2,1-h]isoquinolines: a new class of partially reduced polycyclic aromatic nucleus","RSC Advances","2012","2","4","1299","","10.1039/c2ra00767c","","","0.71073","MoKα","","0.1659","0.07","","","0.1938","0.2516","","","","","","1.016","","","","has coordinates","244235","2020-10-21","18:00:00",""
"7238567","8.0866","0.0003","12.1875","0.0006","13.9665","0.0007","83.079","0.004","80.504","0.004","74.566","0.004","1304.4","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","10-(4-phenyldiazenyl)-3-(3-phenyl)-1-methyl-3,5a,6,11b- tetrahydro-5H-benzopyrano[4',3'-4,5]pyrano[2,3-c]- pyrazole chloroform solvate","","- C27 H23 Cl3 N4 O2 -","- C27 H23 Cl3 N4 O2 -","- C54 H46 Cl6 N8 O4 -","2","1","","Parmar, Narsidas J.; Patel, Rikin A.; Teraiya, Shashikant B.; Sharma, Deepak; Gupta, Vivek K.","Catalyst-and solvent-free one-pot synthesis of some novel polyheterocycles from aryldiazenyl salicylaldehyde derivatives","RSC Advances","2012","2","7","3069","","10.1039/c2ra00930g","","","0.71073","MoKα","","0.088","0.0603","","","0.1572","0.1741","","","","","","1.006","","","","has coordinates,has disorder","244236","2020-10-21","18:00:00",""
"7238568","8.516","0.0003","10.1858","0.0004","16.7736","0.0006","92.631","0.003","102.713","0.003","93.147","0.003","1414.66","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H17 B Cl F4 N5 O8 Ru -","- C25 H17 B Cl F4 N5 O8 Ru -","- C50 H34 B2 Cl2 F8 N10 O16 Ru2 -","2","1","","Chowdhury, Abhishek Dutta; De, Prinaka; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Influence of nitrosyl coordination on the binding mode of quinaldate in selective ruthenium frameworks. Electronic structure and reactivity aspects","RSC Advances","2012","2","8","3437","","10.1039/c2ra00953f","","","0.71073","MoKα","","0.0795","0.0698","","","0.2092","0.2136","","","","","","1.136","","","","has coordinates,has disorder","244237","2020-10-21","18:00:00",""
"7238569","8.4478","0.0002","8.9532","0.0002","17.6431","0.0004","94.079","0.002","91.367","0.002","98.405","0.002","1315.96","0.05","150","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H17 B2 F8 N5 O3 Ru -","- C25 H17 B2 F8 N5 O3 Ru -","- C50 H34 B4 F16 N10 O6 Ru2 -","2","1","","Chowdhury, Abhishek Dutta; De, Prinaka; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Influence of nitrosyl coordination on the binding mode of quinaldate in selective ruthenium frameworks. Electronic structure and reactivity aspects","RSC Advances","2012","2","8","3437","","10.1039/c2ra00953f","","","0.71073","MoKα","","0.0435","0.0396","","","0.1046","0.1067","","","","","","1.061","","","","has coordinates","244237","2020-10-21","18:00:00",""
"7238570","5.9899","0.0007","7.4765","0.0009","9.347","0.001","93.62","0.01","101.1","0.01","91.12","0.01","409.73","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cl2 N2 O4 -","- C3 H10 Cl2 N2 O4 -","- C6 H20 Cl4 N4 O8 -","2","1","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","1.5418","CuKα","","0.0556","0.0529","","0.1536","0.1467","0.1536","","","","","","1.0083","","","","has coordinates","244238","2020-10-21","18:00:00",""
"7238571","11.674","0.002","17.503","0.003","6.616","0.001","90","","90.27","0.01","90","","1351.8","0.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Cl2 N4 O4 S -","- C6 H20 Cl2 N4 O4 S -","- C24 H80 Cl8 N16 O16 S4 -","4","0.5","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","0.7107","MoKα","","0.0839","0.0736","","0.1703","0.1627","0.1703","","","","","","0.9852","","","","has coordinates","244238","2020-10-21","18:00:00",""
"7238572","8.8517","0.0006","8.872","0.0006","11.5295","0.0007","80.981","0.005","83.47","0.005","71.379","0.006","845.47","0.1","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H20 Cl2 N14 -","- C8 H20 Cl2 N14 -","- C16 H40 Cl4 N28 -","2","1","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","0.7107","MoKα","","0.0621","0.0541","","0.1588","0.1321","0.1588","","","","","","0.9694","","","","has coordinates","244238","2020-10-21","18:00:00",""
"7238573","24.168","0.004","7.3756","0.0008","17.062","0.003","90","","116.19","0.02","90","","2729.1","0.9","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cl N5 O7 -","- C9 H12 Cl N5 O7 -","- C72 H96 Cl8 N40 O56 -","8","1","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","0.7107","MoKα","","0.0594","0.0519","","0.1094","0.0958","0.1094","","","","","","0.9959","","","","has coordinates","244238","2020-10-21","18:00:00",""
"7238574","6.6417","0.0005","11.5885","0.0008","15.0331","0.0009","84.647","0.005","80.07","0.006","86.803","0.006","1133.82","0.14","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Ba N6 O20 -","- C12 H16 Ba N6 O20 -","- C24 H32 Ba2 N12 O40 -","2","1","","Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann","Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids","RSC Advances","2012","2","9","3691","","10.1039/c2ra00968d","","","0.7107","MoKα","","0.0398","0.0358","","0.0773","0.0693","0.0773","","","","","","0.9995","","","","has coordinates","244238","2020-10-21","18:00:00",""
"7238575","7.3853","0.0005","9.6126","0.0007","10.888","0.0007","84.694","0.006","87.875","0.005","84.71","0.006","766.05","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.33 H7.33 Cl0.67 O2 S0 -","- C13.3333 H7.33333 Cl0.666667 O2 -","- C40 H22 Cl2 O6 -","3","1.5","","Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Singh, Maya Shankar","InCl3 catalyzed domino route to 2H-chromene-2-ones via [4 + 2] annulation of 2-hydroxyarylaldehydes with α-oxoketene dithioacetal under solvent-free conditions","RSC Advances","2012","2","6","2413","","10.1039/c2ra00987k","","","0.71073","MoKα","","0.1038","0.0541","","","0.1163","0.1453","","","","","","0.961","","","","has coordinates","244239","2020-10-21","18:00:00",""
"7238576","12.377","0.005","10.686","0.005","23.309","0.005","90","0.005","90","0.005","90","0.005","3083","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Fe O3 -","- C20 H14 Fe O3 -","- C160 H112 Fe8 O24 -","8","1","","Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Singh, Maya Shankar","InCl3 catalyzed domino route to 2H-chromene-2-ones via [4 + 2] annulation of 2-hydroxyarylaldehydes with α-oxoketene dithioacetal under solvent-free conditions","RSC Advances","2012","2","6","2413","","10.1039/c2ra00987k","","","0.71073","MoKα","","0.2486","0.0777","","","0.082","0.1242","","","","","","0.915","","","","has coordinates","244239","2020-10-21","18:00:00",""
"7238577","10.9631","0.0003","21.0687","0.0005","14.2884","0.0004","90","","94.404","0.001","90","","3290.57","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C136 H176 O40 -","- C136 H176 O40 -","- C136 H176 O40 -","1","0.5","","Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong","Lineariifolianoids A‒D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia","RSC Advances","2012","2","4","1307","","10.1039/c2ra01014c","","","1.54178","CuKα","","0.0436","0.0433","","","0.1285","0.1298","","","","","","1.044","","","","has coordinates","244240","2020-10-21","18:00:00",""
"7238578","9.5025","0.0001","9.9525","0.0001","17.3337","0.0002","90","","104.11","","90","","1589.85","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H43 N O7 -","- C34 H43 N O7 -","- C68 H86 N2 O14 -","2","1","","Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong","Lineariifolianoids A‒D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia","RSC Advances","2012","2","4","1307","","10.1039/c2ra01014c","","","1.54178","CuKα","","0.0315","0.0313","","","0.0948","0.0952","","","","","","1.065","","","","has coordinates","244240","2020-10-21","18:00:00",""
"7238579","14.4478","0.0018","14.4478","0.0018","46.109","0.012","90","","90","","120","","8335","3","223","2","223","2","","","","","","","","5","P 61","P 61","169","compound2a","","","- C36 H58 Dy N23 O32 -","- C36 H58 Dy N23 O32 -","- C216 H348 Dy6 N138 O192 -","6","1","","Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin","Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution","RSC Advances","2012","2","8","3217","","10.1039/c2ra01132h","","","0.71073","MoKα","","0.051","0.0448","","","0.1191","0.1223","","","","","","1.005","","","","has coordinates","244241","2020-10-21","18:00:00",""
"7238580","14.473","0.002","22.512","0.003","16.595","0.003","90","","101.605","0.004","90","","5296.4","1.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound1","","","- C30 H52 Cl Dy N22 O27 -","- C30 H52 Cl Dy N22 O27 -","- C120 H208 Cl4 Dy4 N88 O108 -","4","1","","Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin","Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution","RSC Advances","2012","2","8","3217","","10.1039/c2ra01132h","","","0.71073","MoKα","","0.1183","0.0776","","","0.2123","0.2412","","","","","","1.06","","","","has coordinates","244241","2020-10-21","18:00:00",""
"7238581","14.531","0.001","14.531","0.001","46.07","0.007","90","","90","","120","","8424.4","1.5","223","2","223","2","","","","","","","","5","P 65","P 65","170","compound2b","","","- C36 H58 Dy N23 O32 -","- C36 H34 Dy N20 O23 -","- C216 H204 Dy6 N120 O138 -","6","1","","Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin","Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution","RSC Advances","2012","2","8","3217","","10.1039/c2ra01132h","","","0.71073","MoKα","","0.0583","0.0517","","","0.1298","0.1328","","","","","","1.069","","","","has coordinates","244241","2020-10-21","18:00:00",""
"7238582","7.6407","0.0003","9.6786","0.0004","10.6854","0.0004","65.63","0.002","89.433","0.002","89.894","0.002","719.75","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C40 H30 N2 O4 -","2","1","","Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof","Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies","RSC Advances","2012","2","10","4318","","10.1039/c2ra01148d","","x-ray","0.71073","MoKα","","0.044","0.021","","","","0.046","0.032","","","","","1.149","","","","has coordinates","244242","2020-10-21","18:00:00",""
"7238583","8.8508","0.0001","7.665","0.0001","22.6191","0.0003","90","","91.734","0.001","90","","1533.81","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O S -","- C20 H15 N O S -","- C80 H60 N4 O4 S4 -","4","1","","Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof","Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies","RSC Advances","2012","2","10","4318","","10.1039/c2ra01148d","","x-ray","0.71073","MoKα","","0.039","0.017","","","","0.03","","","","","","1.345","","","","has coordinates","244242","2020-10-21","18:00:00",""
"7238584","8.3769","0.0003","29.7404","0.0011","7.7536","0.0003","90","","117.13","0.002","90","","1719.14","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","1","","Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof","Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies","RSC Advances","2012","2","10","4318","","10.1039/c2ra01148d","","x-ray","0.71073","MoKα","","0.054","0.026","","","","0.055","0.037","","","","","1.101","","","","has coordinates","244242","2020-10-21","18:00:00",""
"7238585","26.2228","0.0005","7.12522","0.00013","29.983","0.002","90","","111.349","0.008","90","","5217.7","0.5","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 N2 O5 -","- C27 H38 N2 O5 -","- C216 H304 N16 O40 -","8","1","","Kulikov, Oleg V.; Hamilton, Andrew D.","Synthesis of the novel trimeric benzamides—potential inhibitors of protein‒protein interactions","RSC Advances","2012","2","6","2454","","10.1039/c2ra01153k","","","1.54187","CuKα","","","0.045","","","","0.1226","","","","","","1.068","","","","has coordinates","244243","2020-10-21","18:00:00",""
"7238586","7.28347","0.00015","21.3595","0.0004","12.9832","0.0009","90","","94.065","0.007","90","","2014.73","0.15","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Kulikov, Oleg V.; Hamilton, Andrew D.","Synthesis of the novel trimeric benzamides—potential inhibitors of protein‒protein interactions","RSC Advances","2012","2","6","2454","","10.1039/c2ra01153k","","","1.54187","CuKα","","","0.0455","","","","0.1355","","","","","","1.116","","","","has coordinates","244243","2020-10-21","18:00:00",""
"7238587","37.5021","0.0011","15.4876","0.0004","42.453","0.0012","90","","114.594","0.001","90","","22420.5","1.1","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C202 H182 Cl8 Cu8 N50 O38 -","- C202 H182 Cl8 Cu8 N50 O38 -","- C808 H728 Cl32 Cu32 N200 O152 -","4","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","An octanuclear helical ‘molecular wheel’ from hierarchical assembly of four dinuclear Cu2 units in a mixed-ligand array","RSC Advances","2012","2","4","1326","","10.1039/c2ra01177h","","","0.71073","MoKα","","0.1656","0.1097","","","0.3292","0.3609","","","","","","1.187","","","","has coordinates,has disorder","244244","2020-10-21","18:00:00",""
"7238588","22.766","0.0006","22.766","0.0006","22.766","0.0006","90","","90","","90","","11799.4","0.5","200","","200","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- Cl3 Co H18 N6 O12 -","- Cl3 Co N6 O12 -","- Cl96 Co32 N192 O384 -","32","0.666667","","Górska, Natalia; Inaba, Akira; Hirao, Yasukazu; Mikuli, Edward; Hołderna-Natkaniec, Krystyna","Structure, molecular motion, and phase transition of a highly disordered crystal [Co(NH3)6](ClO4)3","RSC Advances","2012","2","10","4283","","10.1039/c2ra01184k","","","0.71075","MoKα","","0.0968","0.0957","","","0.2778","0.2785","","","","","","1.181","","","","has coordinates","244245","2020-10-21","18:00:00",""
"7238589","11.455","0.003","11.455","0.003","11.455","0.003","90","","90","","90","","1503.1","0.7","340","","340","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Cl3 Co H18 N6 O12 -","- Cl3 Co N6 O12.0004 -","- Cl12 Co4 N24 O48.0016 -","4","0.0208333","","Górska, Natalia; Inaba, Akira; Hirao, Yasukazu; Mikuli, Edward; Hołderna-Natkaniec, Krystyna","Structure, molecular motion, and phase transition of a highly disordered crystal [Co(NH3)6](ClO4)3","RSC Advances","2012","2","10","4283","","10.1039/c2ra01184k","","","0.71075","MoKα","","0.0669","0.0664","","","0.2086","0.2096","","","","","","1.287","","","","has coordinates","244245","2020-10-21","18:00:00",""
"7238590","5.474","0.003","12.149","0.007","21.524","0.011","82.9","0.03","86.9","0.03","89.09","0.03","1418.3","1.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H42 O8 -","- C28 H42 O8 -","- C56 H84 O16 -","2","1","","Ganesan, M.; Muraleedharan, K. M.","Oxanorbornane-based amphiphilic systems: design, synthesis and material properties","RSC Advances","2012","2","10","4048","","10.1039/c2ra01198k","","","0.71073","MoKα","","0.107","0.0704","","","0.1861","0.2338","","","","","","1.074","","","","has coordinates,has disorder","244246","2020-10-21","18:00:00",""
"7238591","5.5386","0.0005","7.0291","0.0007","23.255","0.002","90","","93.015","0.005","90","","904.1","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O6 -","- C18 H32 O6 -","- C36 H64 O12 -","2","1","","Ganesan, M.; Muraleedharan, K. M.","Oxanorbornane-based amphiphilic systems: design, synthesis and material properties","RSC Advances","2012","2","10","4048","","10.1039/c2ra01198k","","","0.71073","MoKα","","0.1089","0.0496","","","0.099","0.1346","","","","","","1.033","","","","has coordinates","244246","2020-10-21","18:00:00",""
"7238592","13.0082","0.0015","12.0689","0.0012","13.7934","0.0017","90","","107.583","0.001","90","","2064.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N4 Ni4 O10 -","- C42 H52 N4 Ni4 O10 -","- C84 H104 N8 Ni8 O20 -","2","0.5","","Liu, Shizheng; Wang, Suna; Cao, Fan; Fu, Haiying; Li, Dacheng; Dou, Jianmin","Crystallization condition-controlled assembly of oxygen-bridged tetranuclear and hexanuclear Ni(ii) clusters: syntheses, structures and properties","RSC Adv.","2012","2","4","1310","","10.1039/C2RA01219G","","","0.71073","MoKα","","0.0849","0.0431","","","0.1028","0.1406","","","","","","1","","","","has coordinates","244247","2020-10-21","18:00:00",""
"7238593","27.556","0.003","16.8879","0.0016","17.3304","0.0019","90","","90","","90","","8064.9","1.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C73 H93 N11 Ni6 O17 -","- C73 H93 N11 Ni6 O17 -","- C292 H372 N44 Ni24 O68 -","4","0.5","","Liu, Shizheng; Wang, Suna; Cao, Fan; Fu, Haiying; Li, Dacheng; Dou, Jianmin","Crystallization condition-controlled assembly of oxygen-bridged tetranuclear and hexanuclear Ni(ii) clusters: syntheses, structures and properties","RSC Adv.","2012","2","4","1310","","10.1039/C2RA01219G","","","0.71073","MoKα","","0.1612","0.0829","","","0.2091","0.2639","","","","","","1","","","","has coordinates","244247","2020-10-21","18:00:00",""
"7238594","28.215","0.006","16.504","0.003","14.405","0.003","90","","98.59","0.03","90","","6633","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Mg N6 -","- C24 H24 Mg N6 -","- C288 H288 Mg12 N72 -","12","1.5","","Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong","Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone","RSC Advances","2012","2","8","3451","","10.1039/c2ra01235a","","","0.71073","MoKα","","0.1359","0.0927","","","0.1372","0.1537","","","","","","1.181","","","","has coordinates","244248","2020-10-21","18:00:00",""
"7238595","9.986","0.002","14.269","0.003","19.278","0.004","90","","92.42","0.03","90","","2744.5","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Mg N4 O2 -","- C30 H34 Mg N4 O2 -","- C120 H136 Mg4 N16 O8 -","4","1","","Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong","Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone","RSC Advances","2012","2","8","3451","","10.1039/c2ra01235a","","","0.71073","MoKα","","0.1504","0.098","","","0.2011","0.2289","","","","","","1.157","","","","has coordinates","244248","2020-10-21","18:00:00",""
"7238596","10.453","0.002","11.456","0.002","12.516","0.003","84.02","0.03","76.88","0.03","89.43","0.03","1451.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Mg N4 O2 -","- C32 H38 Mg N4 O2 -","- C64 H76 Mg2 N8 O4 -","2","1","","Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong","Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone","RSC Advances","2012","2","8","3451","","10.1039/c2ra01235a","","","0.71073","MoKα","","0.0685","0.0556","","","0.1497","0.1597","","","","","","1.066","","","","has coordinates","244248","2020-10-21","18:00:00",""
"7238597","12.388","0.002","12.645","0.0001","10.535","0.002","90","","112.9","0.02","90","","1520.2","0.4","","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Prop-2-ynylidene-6,7-dihydro-5H-1,4 -dioxa- benzo(g)cyclopenta(a)phenanthrene","5-Prop-2-ynylidene-6,7-dihydro-5H-1,4 -dioxa-benzo[g]cyclopenta[a]phenanthrene","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","","Pratap, Ramendra; Raghunandan, Resmi; Kumar, Abhinav; Ram, Vishnu Ji","Bicyclic ketone mediated synthesis of oxygenated aromatic systems","RSC Advances","2012","2","7","2688","","10.1039/c2ra01253g","","","","","","0.2678","0.1374","","","0.3997","0.5108","","","","","","","","","","has coordinates","244249","2020-10-21","18:00:00",""
"7238598","11.712","0.005","12.67","0.005","20.965","0.005","90","","98.49","0.01","90","","3076.9","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Mn N4 O6 S4 -","- C27 H29 Mn N4 O6 S4 -","- C108 H116 Mn4 N16 O24 S16 -","4","1","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71069","MoKα","","0.1079","0.0535","","","0.1308","0.1543","","","","","","1.007","","","","has coordinates","244251","2020-10-21","18:00:00",""
"7238599","10.429","0.002","11.778","0.002","17.263","0.003","105.39","0.05","91.37","0.05","90.35","0.05","2043.7","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H35 Cl2 Mn N6 O6 S6 -","- C34 H35 Cl2 Mn N6 O6 S6 -","- C68 H70 Cl4 Mn2 N12 O12 S12 -","2","1","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71069","MoKα","","0.1139","0.0847","","","0.1906","0.2064","","","","","","1.068","","","","has coordinates,has disorder","244251","2020-10-21","18:00:00",""
"7238600","11.227","0.003","13.922","0.007","15.914","0.006","69.021","0.002","89.488","0.002","77.92","0.002","2265.1","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 Cl6 Fe N6 O6 S6 -","- C35 H35 Cl6 Fe N6 O6 S6 -","- C70 H70 Cl12 Fe2 N12 O12 S12 -","2","1","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.0817","0.0545","","","0.1156","0.1336","","","","","","1.048","","","","has coordinates","244251","2020-10-21","18:00:00",""
"7238601","10.394","0.004","9.405","0.004","17.332","0.003","90","","114.676","0.019","90","","1539.6","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl2 Fe N4 O6 S4 -","- C24 H32 Cl2 Fe N4 O6 S4 -","- C48 H64 Cl4 Fe2 N8 O12 S8 -","2","0.5","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.0504","0.0395","","","0.1004","0.107","","","","","","1.07","","","","has coordinates","244251","2020-10-21","18:00:00",""
"7238602","23.038","0.002","10.461","0.006","22.989","0.006","90","","90","","90","","5540","4","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C46.5 H51.5 Fe2 N8 O10.5 S8 -","- C46.5 H51.5 Fe2 N8 O10.5 S8 -","- C186 H206 Fe8 N32 O42 S32 -","4","0.5","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.0736","0.0451","","","0.1106","0.125","","","","","","1.007","","","","has coordinates","244251","2020-10-21","18:00:00",""
"7238603","12.807","0.0002","32.336","0.0008","15.201","0.0003","90","","105.175","0.0011","90","","6075.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 Cl6 Fe2 N8 O9 S8 -","- C47 H50 Cl6 Fe2 N8 O9 S8 -","- C188 H200 Cl24 Fe8 N32 O36 S32 -","4","1","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.1034","0.0576","","","0.1645","0.2001","","","","","","1.082","","","","has coordinates","244251","2020-10-21","18:00:00",""
"7238604","12.4598","0.0013","20.593","0.002","27.475","0.003","90","","81.456","0.007","90","","6971.4","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H61 K2 N4 O30 Zn4 -","- C51 H61 K2 N4 O30 Zn4 -","- C204 H244 K8 N16 O120 Zn16 -","4","1","","Patra, Ayan; Sen, Tamal K.; Bhattacharyya, Rangeet; Mandal, Swadhin K.; Bera, Manindranath","Diversity of carboxylate binding in a new tetranuclear zinc cluster: correlation between spectroscopic investigations and carboxylate binding modes","RSC Advances","2012","2","5","1774","","10.1039/c2ra01317g","","","0.71073","MoKα","","0.1584","0.0966","","","0.2582","0.3016","","","","","","1.04","","","","has coordinates","244252","2020-10-21","18:00:00",""
"7238605","9.4235","0.0011","10.3957","0.0012","15.9888","0.0018","90","","90","","90","","1566.3","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O5 -","- C17 H15 N3 O5 -","- C68 H60 N12 O20 -","4","1","","Dorofeeva, Evgeniya O.; Elinson, Michail N.; Vereshchagin, Anatoly N.; Stepanov, Nikita O.; Bushmarinov, Ivan S.; Belyakov, Pavel A.; Sokolova, Olga O.; Nikishin, Gennady I.","Electrocatalysis in MIRC reaction strategy: facile stereoselective approach to medicinally relevant spirocyclopropylbarbiturates from barbituric acids and activated olefins","RSC Advances","2012","2","10","4444","","10.1039/c2ra20078c","","x-ray","0.71073","MoKα","K-L~3~","0.0355","0.0319","","","0.0823","0.0852","","","","","","1.067","","","","has coordinates","244253","2020-10-21","18:00:00",""
"7238606","13.7895","0.0014","16.0801","0.0016","9.8741","0.001","90","","101.502","0.002","90","","2145.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 O3 -","- C30 H22 O3 -","- C120 H88 O12 -","4","1","","Zhang, Hao; Cui, Wei-Chen; Hu, Zhi-Long; Yu, Shu-Yan; Wang, Shaozhong; Yao, Zhu-Jun","Brønsted acid-promoted dimerization of o-alkynylbenzaldehydes: a one-step synthesis of functionalized Kagan's ether analogues","RSC Advances","2012","2","12","5101","","10.1039/c2ra20095c","","","0.71073","MoKα","","0.0889","0.0514","","","0.1072","0.1194","","","","","","0.876","","","","has coordinates","244254","2020-10-21","18:00:00",""
"7238607","10.2779","0.0002","13.7689","0.0002","22.0341","0.0003","99.315","0.001","103.302","0.001","100.393","0.001","2916.58","0.08","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H57 Cl N5 O3 P3 Pd Ru -","- C67 H57 Cl N5 O3 P3 Pd Ru -","- C134 H114 Cl2 N10 O6 P6 Pd2 Ru2 -","2","1","","Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh","Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions","RSC Advances","2012","2","12","5254","","10.1039/c2ra20105d","","","0.71073","MoKα","","0.0661","0.0415","","","0.118","0.1404","","","","","","0.877","","","","has coordinates","244255","2020-10-21","18:00:00",""
"7238608","19.145","0.004","26.722","0.006","26.88","0.006","66.307","0.006","89.242","0.007","87.514","0.007","12581","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H53 Cl N3 O3 P3 Pd Ru -","- C67 H53 Cl N3 O3 P3 Pd Ru -","- C536 H424 Cl8 N24 O24 P24 Pd8 Ru8 -","8","4","","Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh","Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions","RSC Advances","2012","2","12","5254","","10.1039/c2ra20105d","","","0.71073","MoKα","","0.0985","0.0599","","","0.1339","0.1497","","","","","","1.028","","","","has coordinates","244255","2020-10-21","18:00:00",""
"7238609","9.1","0.0018","16.7","0.003","18.4","0.004","90","","100.39","0.03","90","","2750.4","1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N3 O3 P Pd -","- C30 H24 N3 O3 P Pd -","- C120 H96 N12 O12 P4 Pd4 -","4","1","","Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh","Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions","RSC Advances","2012","2","12","5254","","10.1039/c2ra20105d","","","0.71073","MoKα","","0.0869","0.0731","","","0.2106","0.2253","","","","","","1.075","","","","has coordinates","244255","2020-10-21","18:00:00",""
"7238610","10.1264","0.0009","14.1165","0.0012","16.8322","0.0012","80.414","0.007","84.706","0.007","78.503","0.007","2320.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 N3 O2 P Pd -","- C27 H24 N3 O2 P Pd -","- C108 H96 N12 O8 P4 Pd4 -","4","2","","Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh","Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions","RSC Advances","2012","2","12","5254","","10.1039/c2ra20105d","","","0.71073","MoKα","","0.0923","0.0436","","","0.0862","0.0976","","","","","","0.931","","","","has coordinates","244255","2020-10-21","18:00:00",""
"7238611","8.3389","0.0004","14.6212","0.0007","12.1621","0.0006","90","","104.483","0.001","90","","1435.74","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H40 Cl2 N2 O16 -","- C21 H40 Cl2 N2 O16 -","- C42 H80 Cl4 N4 O32 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0512","0.05","","","0.1279","0.1291","","","","","","1.06","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238612","17.7353","0.0014","15.4444","0.0012","19.7642","0.0016","90","","112.756","0.001","90","","4992.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Cl4 N4 O28 -","- C38 H55 Cl4 N4 O27.602 -","- C152 H220 Cl16 N16 O110.408 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0732","0.0647","","","0.1502","0.1559","","","","","","1.074","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238613","11.9802","0.0008","12.7041","0.0009","34.277","0.002","85.19","0.001","89.215","0.001","89.297","0.001","5197.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H118 Cl6 N6 O50 -","- C81 H107 Cl6 N6 O50 -","- C162 H214 Cl12 N12 O100 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0799","0.0659","","","0.1578","0.1668","","","","","","1.029","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238614","12.2134","0.0007","13.2564","0.0008","17.0677","0.001","75.025","0.001","71.73","0.001","72.189","0.001","2457.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 Cl2 N4 O21 -","- C40 H68 Cl2 N4 O21 -","- C80 H136 Cl4 N8 O42 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0551","0.0447","","","0.1118","0.1187","","","","","","1.03","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238615","17.19","0.003","16.795","0.002","18.068","0.003","90","","92.64","0.002","90","","5210.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Cl4 N4 O25 -","- C42 H64 Cl4 N4 O25 -","- C168 H256 Cl16 N16 O100 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0863","0.0828","","","0.1978","0.2006","","","","","","1.106","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238616","8.8552","0.0006","14.235","0.0009","16.8384","0.0011","110.236","0.001","95.478","0.001","90.002","0.001","1981.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H56 Cl2 N2 O18 -","- C33 H56 Cl2 N2 O18 -","- C66 H112 Cl4 N4 O36 -","2","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0743","0.0638","","","0.149","0.1567","","","","","","1.02","","","","has coordinates,has disorder","244256","2020-10-21","18:00:00",""
"7238617","16.1814","0.0009","21.722","0.0012","29.3019","0.0017","90","","103.233","0.001","90","","10025.9","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H143 Cl4 N5 O46 -","- C76 H131 Cl4 N5 O46 -","- C304 H524 Cl16 N20 O184 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry","RSC Advances","2012","2","9","3920","","10.1039/c2ra20109g","","","0.71073","MoKα","","0.0919","0.0759","","","0.1842","0.1931","","","","","","1.115","","","","has coordinates","244256","2020-10-21","18:00:00",""
"7238618","7.8235","0.0002","9.9093","0.0002","12.8402","0.0003","67.621","0.001","89.76","0.001","80.47","0.001","905.88","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Dy N O13 P -","- C13 H16 Dy N O13 P -","- C26 H32 Dy2 N2 O26 P2 -","2","1","","Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min","Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties","RSC Advances","2012","2","16","6680","","10.1039/c2ra20111a","","","0.71073","MoKα","","0.0338","0.0269","","","0.058","0.0597","","","","","","1.031","","","","has coordinates","244257","2020-10-21","18:00:00",""
"7238619","7.864","0.003","9.964","0.003","12.842","0.004","67.521","0.005","89.856","0.006","80.711","0.006","915.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Eu N O13 P -","- C13 H16 Eu N O13 P -","- C26 H32 Eu2 N2 O26 P2 -","2","1","","Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min","Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties","RSC Advances","2012","2","16","6680","","10.1039/c2ra20111a","","","0.71073","MoKα","","0.0357","0.0317","","","0.0781","0.0793","","","","","","1.074","","","","has coordinates","244257","2020-10-21","18:00:00",""
"7238620","7.8439","0.0012","9.9333","0.0015","12.839","0.002","67.578","0.003","89.872","0.003","80.597","0.002","910.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Gd N O13 P -","- C13 H16 Gd N O13 P -","- C26 H32 Gd2 N2 O26 P2 -","2","1","","Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min","Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties","RSC Advances","2012","2","16","6680","","10.1039/c2ra20111a","","","0.71073","MoKα","","0.034","0.0288","","","0.045","0.0454","","","","","","1.002","","","","has coordinates","244257","2020-10-21","18:00:00",""
"7238621","7.8354","0.0013","9.91","0.0017","12.852","0.002","67.78","0.003","89.721","0.003","80.236","0.003","908.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 N O13 P Tb -","- C13 H16 N O13 P Tb -","- C26 H32 N2 O26 P2 Tb2 -","2","1","","Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min","Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties","RSC Advances","2012","2","16","6680","","10.1039/c2ra20111a","","","0.71073","MoKα","","0.0336","0.0287","","","0.0506","0.0511","","","","","","1.057","","","","has coordinates","244257","2020-10-21","18:00:00",""
"7238622","8.486","0.003","15.397","0.005","14.367","0.004","90","","111.573","0.015","90","","1745.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl2 N -","- C22 H15 Cl2 N -","- C88 H60 Cl8 N4 -","4","1","","Yao, Changsheng; Qin, Bingbin; Zhang, Honghong; Lu, Jun; Wang, Donglin; Tu, Shujiang","One-pot solvent-free synthesis of quinolines by C‒H activation/C‒C Bond formation catalyzed by recyclable iron(iii) triflate","RSC Advances","2012","2","9","3759","","10.1039/c2ra20172k","","","0.71073","MoKα","","0.0686","0.0461","","","0.1347","0.161","","","","","","1.084","","","","has coordinates","244258","2020-10-21","18:00:00",""
"7238623","13.74","0.002","7.0021","0.0012","15.55","0.003","90","","95.82","0.004","90","","1488.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Yao, Changsheng; Qin, Bingbin; Zhang, Honghong; Lu, Jun; Wang, Donglin; Tu, Shujiang","One-pot solvent-free synthesis of quinolines by C‒H activation/C‒C Bond formation catalyzed by recyclable iron(iii) triflate","RSC Advances","2012","2","9","3759","","10.1039/c2ra20172k","","","0.71073","MoKα","","0.0592","0.0409","","","0.1155","0.1271","","","","","","1.051","","","","has coordinates","244258","2020-10-21","18:00:00",""
"7238624","5.637","0.0004","10.2308","0.0007","24.765","0.002","90","","90","","90","","1428.22","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","","Sedash, Yuriy V.; Gorobets, Nikolay Yu.; Chebanov, Valentin A.; Konovalova, Irina S.; Shishkin, Oleg V.; Desenko, Sergey M.","Dotting the i's in three-component Biginelli-like condensations using 3-amino-1,2,4-triazole as a 1,3-binucleophile","RSC Advances","2012","2","17","6719","","10.1039/c2ra20195j","","","0.71073","MoKα","","0.0617","0.0443","","","0.0909","0.0957","","","","","","1.156","","","","has coordinates","244259","2020-10-21","18:00:00",""
"7238625","25.104","0.0004","25.104","0.0004","30","0.003","90","","90","","120","","16373.4","1.7","213","2","213","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C13.83 H22.67 N O3 -","- C13.81 H22.64 N O3 -","- C497.16 H815.04 N36 O108 -","36","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Rizzato, Egon; Zaman, Md. Badruz; Chan, Gordon; Ouari, Olivier; Tordo, Paul","Perturbation induced formation of a 3D-network of microcrystals producing soft materials","RSC Advances","2012","2","13","5605","","10.1039/c2ra20208e","","x-ray","0.71073","MoKα","","0.1084","0.081","","","0.2304","0.2575","","","","","","1.055","","","","has coordinates","244260","2020-10-21","18:00:00",""
"7238626","23.9436","0.0007","5.6253","0.0002","52.4024","0.0016","90","","97.817","0.002","90","","6992.5","0.4","283","2","283","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 S3 -","- C24 H32 S3 -","- C288 H384 S36 -","12","3","","Wedl, Bernhard; Resel, Roland; Leising, Günther; Kunert, Birgit; Salzmann, Ingo; Oehzelt, Martin; Koch, Norbert; Vollmer, Antje; Duhm, Steffen; Werzer, Oliver; Gbabode, Gabin; Sferrazza, Michele; Geerts, Yves","Crystallisation kinetics in thin films of dihexyl-terthiophene: the appearance of polymorphic phases","RSC Advances","2012","2","10","4404","","10.1039/c2ra20272g","","","0.71073","MoKα","","0.1528","0.06","","","0.1342","0.1821","","","","","","1.013","","","","has coordinates","244261","2020-10-21","18:00:00",""
"7238627","8.8353","0.0018","10.145","0.002","11.616","0.004","106.121","0.018","109.391","0.019","101.989","0.013","890.3","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C40 H48 N4 -","2","1","","Kumar, Rapolu Kiran; Punniyamurthy, Tharmalingam","Palladium-catalyzed aerobic oxidative C‒H amination: synthesis of 2-unsubstituted and 2-substituted N-aryl benzimidazoles","RSC Advances","2012","2","11","4616","","10.1039/c2ra20328f","","","0.71073","MoKα","","0.0767","0.0576","","","0.1729","0.1902","","","","","","1.076","","","","has coordinates","244262","2020-10-21","18:00:00",""
"7238628","8.2036","0.0006","10.3079","0.0008","10.9919","0.0009","76.796","0.005","78.813","0.005","70.229","0.005","844.64","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C40 H30 N6 O4 -","2","1","","Kumar, Rapolu Kiran; Punniyamurthy, Tharmalingam","Palladium-catalyzed aerobic oxidative C‒H amination: synthesis of 2-unsubstituted and 2-substituted N-aryl benzimidazoles","RSC Advances","2012","2","11","4616","","10.1039/c2ra20328f","","","0.71073","MoKα","","0.0873","0.0502","","","0.1387","0.1784","","","","","","1.066","","","","has coordinates","244262","2020-10-21","18:00:00",""
"7238629","11.718","0.003","5.5721","0.0013","20.637","0.005","90","","104.252","0.002","90","","1306","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Zhan, Chunjing; Jia, Jiong; Yang, Bingchuan; Huang, Aiping; Liu, Yanli; Ma, Chen","A tandem coupling/smiles rearrangement/cyclization approach to 1,4-benzooxazinones or 1,4-pyridooxazinones under mild conditions","RSC Advances","2012","2","19","7506","","10.1039/c2ra20334k","","","0.71073","MoKα","","0.056","0.0437","","","0.1255","0.1362","","","","","","1.033","","","","has coordinates","244263","2020-10-21","18:00:00",""
"7238630","16.86","0.005","11.836","0.005","23.186","0.005","90","0.005","109.358","0.005","90","0.005","4365","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 As2 Cl N2 O2 Ru S -","- C49 H39 As2 Cl N2 O2 Ru S -","- C196 H156 As8 Cl4 N8 O8 Ru4 S4 -","4","1","","Prabhu, Rupesh Narayana; Ramesh, Rengan","Ruthenium(ii) carbonyl complexes containing benzhydrazone ligands: synthesis, structure and facile one-pot conversion of aldehydes to amides","RSC Advances","2012","2","10","4515","","10.1039/c2ra20382k","","","0.71073","MoKα","","0.0659","0.0346","","","0.0649","0.0866","","","","","","1.084","","","","has coordinates","244264","2020-10-21","18:00:00",""
"7238631","41.1816","0.001","11.3351","0.0003","40.5037","0.0011","90","","108.586","0.003","90","","17921","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H41 As2 Cl N2 O2 Ru S -","- C400 H328 As16 Cl8 N16 O16 Ru8 S8 -","- C800 H656 As32 Cl16 N32 O32 Ru16 S16 -","2","0.25","","Prabhu, Rupesh Narayana; Ramesh, Rengan","Ruthenium(ii) carbonyl complexes containing benzhydrazone ligands: synthesis, structure and facile one-pot conversion of aldehydes to amides","RSC Advances","2012","2","10","4515","","10.1039/c2ra20382k","","","0.71073","MoKα","","0.0837","0.0436","","","0.095","0.1159","","","","","","1.077","","","","has coordinates","244264","2020-10-21","18:00:00",""
"7238632","15.6484","0.0001","15.6484","0.0001","36.3862","0.0005","90","","90","","90","","8909.98","0.15","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C64 H52 Cd4 N2 O26 Si2 -","- C64 H52 Cd4 N2 O26 Si2 -","- C256 H208 Cd16 N8 O104 Si8 -","4","1","","Zhao, Xiaoliang; Zhang, Liangliang; Ma, Huiqing; Sun, Di; Wang, Dengxu; Feng, Shengyu; Sun, Daofeng","Solvent-controlled Cd(ii) metal‒organic frameworks constructed from a tetrapodal silicon-based linker","RSC Advances","2012","2","13","5543","","10.1039/c2ra20384g","","","0.71073","MoKα","","0.0523","0.0435","","","0.1042","0.1082","","","","","","0.987","","","","has coordinates","244265","2020-10-21","18:00:00",""
"7238633","12.9879","0.0015","12.9879","0.0015","25.025","0.006","90","","90","","90","","4221.4","1.2","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C34 H30 Cd2 N2 O10 Si -","- C34 H30 Cd2 N2 O10 Si -","- C136 H120 Cd8 N8 O40 Si4 -","4","0.25","","Zhao, Xiaoliang; Zhang, Liangliang; Ma, Huiqing; Sun, Di; Wang, Dengxu; Feng, Shengyu; Sun, Daofeng","Solvent-controlled Cd(ii) metal‒organic frameworks constructed from a tetrapodal silicon-based linker","RSC Advances","2012","2","13","5543","","10.1039/c2ra20384g","","","0.71073","MoKα","","0.046","0.0413","","","0.119","0.1221","","","","","","1.103","","","","has coordinates","244265","2020-10-21","18:00:00",""
"7238634","10.7911","0.0019","8.3666","0.0015","6.8985","0.0012","90","","93.084","0.003","90","","621.93","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","0.5","","Xuan, Jun; Feng, Zhu-Jia; Duan, Shu-Wen; Xiao, Wen-Jing","Room temperature synthesis of isoquino[2,1-a][3,1]oxazine and isoquino[2,1-a]pyrimidine derivatives via visible light photoredox catalysis","RSC Advances","2012","2","10","4065","","10.1039/c2ra20403g","","","0.71073","MoKα","","0.0637","0.0595","","","0.1796","0.1854","","","","","","1.09","","","","has coordinates,has disorder","244266","2020-10-21","18:00:00",""
"7238635","25.383","0.008","21.318","0.007","15.956","0.005","90","","123.863","0.004","90","","7169","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br2 N2 O4 -","- C16 H14 Br2 N2 O4 -","- C256 H224 Br32 N32 O64 -","16","2","","Ji, Xiaoyun; Duan, Zhiqiang; Qian, Yu; Han, Jianlin; Li, Guigen; Pan, Yi","Highly regioselective aminobromination of α,β-unsaturated nitro compounds with benzyl carbamate/N-bromosuccinimide as nitrogen/bromine source","RSC Advances","2012","2","13","5565","","10.1039/c2ra20490h","","","0.71073","MoKα","","0.1109","0.0489","","","0.1084","0.1187","","","","","","0.998","","","","has coordinates","244267","2020-10-21","18:00:00",""
"7238636","8.2005","0.0008","9.5269","0.0016","11.4959","0.0015","65.961","0.014","85.022","0.009","66.268","0.012","747.7","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","10-Hydroxy-10-(2-oxopentyl)phenanthren-9(10H)-one","10-Hydroxy-10-(2-oxopentyl)phenanthren-9(10H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.0785","0.0367","","","0.0935","0.1102","","","","","","0.601","","","","has coordinates","244268","2020-10-21","18:00:00",""
"7238637","13.049","0.003","5.359","0.0014","21.62","0.005","90","","94.35","0.02","90","","1507.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(Z)-10,11,12,13-Tetrahydrocycloocta(d)phenanthro(9,10-b)furan","(Z)-10,11,12,13-Tetrahydrocycloocta[d]phenanthro[9,10-b]furan","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.2916","0.0866","","","0.0849","0.1183","","","","","","0.865","","","","has coordinates","244268","2020-10-21","18:00:00",""
"7238638","11.6236","0.0006","10.7231","0.0007","14.8535","0.001","90","","101.277","0.005","90","","1815.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9aSR,12aSR)-11,12-Dihydro-10H-spiro(9a,12a epoxymethanooxy)cyclopenta(b)phenanthro(9,10-d)furan-14,1'-cyclopentane)","9aSR,12aSR)-11,12-Dihydro-10H-spiro[9a,12a epoxymethanooxy)cyclopenta[b]phenanthro[9,10-d]furan-14,1'-cyclopentane]","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.1234","0.0733","","","0.1934","0.2153","","","","","","1.308","","","","has coordinates","244268","2020-10-21","18:00:00",""
"7238639","17.7499","0.0006","17.7499","0.0006","24.507","0.0008","90","","90","","120","","6686.7","0.4","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","10,11,12,13-Tetrahydrophenanthro(9,10-b)benzofuran-13-ol","10,11,12,13-Tetrahydrophenanthro[9,10-b]benzofuran-13-ol","","- C20 H16 O2 -","- C20 H16 O2 -","- C360 H288 O36 -","18","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.0529","0.0385","","","0.1177","0.1257","","","","","","0.923","","","","has coordinates","244268","2020-10-21","18:00:00",""
"7238640","8.1778","0.0002","8.9545","0.0003","21.7298","0.0006","90","","90","","90","","1591.23","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9a,11,11-Trimethyl-9a,12a-dihydrophenanthro(9',10':4,5) furo(2,3-d)(1,3)dioxole","9a,11,11-Trimethyl-9a,12a-dihydrophenanthro[9',10':4,5] furo[2,3-d][1,3]dioxole","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.045","0.0341","","","0.0997","0.1092","","","","","","0.806","","","","has coordinates","244268","2020-10-21","18:00:00",""
"7238641","17.826","0.005","12.506","0.003","12.588","0.003","90","","90","","90","","2806.3","1.2","293","2","293","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C25 H28 Br4 N4 -","- C25 H28 Br4 N4 -","- C100 H112 Br16 N16 -","4","0.5","","Selvakumar, P. M.; Jebaraj, P. Yowan; Sahoo, Jashobanta; Suresh, E.; Prathap, K. Jeya; Kureshy, R. I.; Subramanian, P. S.","The first bromide ion directed double helicate and its role in catalysis","RSC Advances","2012","2","20","7689","","10.1039/c2ra20507f","","","0.71073","MoKα","","0.1048","0.0614","","","0.174","0.1936","","","","","","1.049","","","","has coordinates","244269","2020-10-21","18:00:00",""
"7238642","12.9999","0.0009","11.9658","0.001","16.7478","0.0012","90","","92.12","0.004","90","","2603.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl3 N3 -","- C26 H26 Cl3 N3 -","- C104 H104 Cl12 N12 -","4","1","","Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah","Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’","RSC Advances","2012","2","13","5506","","10.1039/c2ra20539d","","","0.71073","MoKα","","0.1786","0.0875","","","0.2237","0.2754","","","","","","1.031","","","","has coordinates","244270","2020-10-21","18:00:00",""
"7238643","13.3588","0.001","10.7992","0.0008","16.6412","0.0012","90","","90","","90","","2400.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Br Cl2 N3 -","- C24 H24 Br Cl2 N3 -","- C96 H96 Br4 Cl8 N12 -","4","1","","Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah","Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’","RSC Advances","2012","2","13","5506","","10.1039/c2ra20539d","","","0.71073","MoKα","","0.0668","0.0323","","","0.0665","0.077","","","","","","0.993","","","","has coordinates","244270","2020-10-21","18:00:00",""
"7238644","11.6045","0.0007","11.6974","0.0007","15.6896","0.001","90","","102.044","0.003","90","","2082.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N3 -","- C24 H27 N3 -","- C96 H108 N12 -","4","1","","Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah","Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’","RSC Advances","2012","2","13","5506","","10.1039/c2ra20539d","","","0.71073","MoKα","","0.0764","0.0537","","","0.1423","0.1612","","","","","","0.973","","","","has coordinates","244270","2020-10-21","18:00:00",""
"7238645","12.7739","0.0004","15.246","0.0005","19.3151","0.0006","82.978","0.001","84.402","0.001","71.136","0.001","3526.1","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H188 Ca4 N48 O78 -","- C100 H120 Ca4 N48 O78 -","- C100 H120 Ca4 N48 O78 -","1","0.5","","Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril","RSC Advances","2012","2","13","5663","","10.1039/c2ra20569f","","","0.71073","MoKα","","0.0756","0.0571","","","0.1553","0.1724","","","","","","1.025","","","","has coordinates","244271","2020-10-21","18:00:00",""
"7238646","11.3443","0.0007","15.8451","0.001","18.6881","0.0012","90.005","0.002","97.736","0.002","103.096","0.002","3240.4","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H82 N24 O32 Sr2 -","- C50 H60 N24 O32 Sr2 -","- C100 H120 N48 O64 Sr4 -","2","1","","Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril","RSC Advances","2012","2","13","5663","","10.1039/c2ra20569f","","","0.71073","MoKα","","0.0749","0.0507","","","0.1355","0.1512","","","","","","1.049","","","","has coordinates","244271","2020-10-21","18:00:00",""
"7238647","23.864","0.009","18.914","0.007","29.501","0.011","90","","90","","90","","13316","9","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H90 Ba N22 O31 -","- C50 H60 Ba N22 O31 -","- C400 H480 Ba8 N176 O248 -","8","1","","Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril","RSC Advances","2012","2","13","5663","","10.1039/c2ra20569f","","","0.71073","MoKα","","0.0858","0.0561","","","0.1326","0.1489","","","","","","1.024","","","","has coordinates","244271","2020-10-21","18:00:00",""
"7238648","6.3675","0.0009","7.5155","0.0011","13.1748","0.0019","105.757","0.002","94.059","0.002","91.292","0.002","604.69","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cr O3 S2 -","- C11 H10 Cr O3 S2 -","- C22 H20 Cr2 O6 S4 -","2","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.71073","MoKα","","0.039","0.0299","","","0.0744","0.079","","","","","","1.064","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238649","6.349","0.003","25.347","0.011","7.531","0.003","90","","91.629","0.006","90","","1211.5","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cr O3 S2 -","- C11 H10 Cr O3 S2 -","- C44 H40 Cr4 O12 S8 -","4","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.71073","MoKα","","0.1535","0.0971","","","0.2398","0.2693","","","","","","1.173","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238650","10.6871","0.0012","7.2672","0.0008","18.787","0.002","90","","97.4396","0.0013","90","","1446.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cr O3 S2 -","- C13 H14 Cr O3 S2 -","- C52 H56 Cr4 O12 S8 -","4","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.6719","synchrotron","","0.0386","0.0372","","","0.1041","0.1058","","","","","","1.045","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238651","9.013","0.0009","10.2094","0.001","12.8603","0.0013","106.757","0.0015","99.0147","0.0016","109.56","0.0015","1024.83","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Cr O3 S2 -","- C23 H18 Cr O3 S2 -","- C46 H36 Cr2 O6 S4 -","2","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.71073","MoKα","","0.0406","0.0315","","","0.0764","0.0819","","","","","","1.064","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238652","11.7886","0.0007","24.6453","0.0015","10.2118","0.0006","90","","115.625","0.0009","90","","2675.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cr O3 S3 -","- C30 H24 Cr O3 S3 -","- C120 H96 Cr4 O12 S12 -","4","1","","Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.","Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes","RSC Advances","2012","2","14","6049","","10.1039/c2ra20592k","","","0.71073","MoKα","","0.0498","0.0383","","","0.103","0.1109","","","","","","1.047","","","","has coordinates","244272","2020-10-21","18:00:00",""
"7238653","14.6153","0.0002","10.1839","0.0001","17.6301","0.0002","90","","93.013","0.001","90","","2620.45","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","'Ni hydrozone complex'","'Ni hydrozone complex'","","- C32 H25 N2 Ni O2 P -","- C32 H25 N2 Ni O2 P -","- C128 H100 N8 Ni4 O8 P4 -","4","1","","Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Muthiah, Packianathan Thomas; Dharmaraj, Nallasamy","Nickel and cobalt complexes of benzoic acid (2-hydroxy-benzylidene)-hydrazide ligand: synthesis, structure and comparative in vitro evaluations of biological perspectives","RSC Advances","2012","2","32","12190","","10.1039/c2ra20597a","","","0.71073","MoKα","","0.1161","0.0594","","","0.1606","0.1909","","","","","","1.039","","","","has coordinates","244273","2020-10-21","18:00:00",""
"7238654","10.5181","0.0005","14.22","0.0006","19.9005","0.0009","77.689","0.003","84.636","0.003","79.795","0.003","2857.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H111.2 Co3 N8 O17.6 P4 -","- C128 H111.2 Co3 N8 O17.6 P4 -","- C128 H111.2 Co3 N8 O17.6 P4 -","1","0.5","","Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Muthiah, Packianathan Thomas; Dharmaraj, Nallasamy","Nickel and cobalt complexes of benzoic acid (2-hydroxy-benzylidene)-hydrazide ligand: synthesis, structure and comparative in vitro evaluations of biological perspectives","RSC Advances","2012","2","32","12190","","10.1039/c2ra20597a","","","0.71073","MoKα","","0.1302","0.0668","","","0.1451","0.2063","","","","","","1.172","","","","has coordinates","244273","2020-10-21","18:00:00",""
"7238655","16.9285","0.0016","14.9877","0.0014","19.0063","0.0018","90","","93.066","0.002","90","","4815.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cu3 N16 O40 P W12 -","- C8 H16 Cu3 N16 O40 P W12 -","- C32 H64 Cu12 N64 O160 P4 W48 -","4","1","","Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui","High-connected strategy of polyoxometalates towards model of core‒shell nanostructure","RSC Advances","2012","2","16","6414","","10.1039/c2ra20605f","","","0.71073","MoKα","","0.0526","0.0398","","","0.1175","0.1272","","","","","","1.076","","","","has coordinates,has disorder","244274","2020-10-21","18:00:00",""
"7238656","10.0393","0.0012","13.9688","0.0016","19.893","0.002","90","","102.369","0.002","90","","2725","0.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Ag8 N16 O42 S4 Si W12 -","- C8 H12 Ag8 N16 O42 S4 Si W12 -","- C16 H24 Ag16 N32 O84 S8 Si2 W24 -","2","0.5","","Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui","High-connected strategy of polyoxometalates towards model of core‒shell nanostructure","RSC Advances","2012","2","16","6414","","10.1039/c2ra20605f","","","0.71073","MoKα","","0.0877","0.0761","","","0.1474","0.1511","","","","","","1.305","","","","has coordinates","244274","2020-10-21","18:00:00",""
"7238657","9.9493","0.0012","14.0796","0.0017","19.906","0.002","90","","101.585","0.002","90","","2731.7","0.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 Ag6 N16 O42 P S6 W12 -","- C8 H12 Ag6 N16 O42 P S6 W12 -","- C16 H24 Ag12 N32 O84 P2 S12 W24 -","2","0.5","","Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui","High-connected strategy of polyoxometalates towards model of core‒shell nanostructure","RSC Advances","2012","2","16","6414","","10.1039/c2ra20605f","","","0.71073","MoKα","","0.054","0.0436","","","0.1043","0.1101","","","","","","0.999","","","","has coordinates","244274","2020-10-21","18:00:00",""
"7238658","7.115","0.005","12.488","0.005","14.141","0.005","73.839","0.005","87.734","0.005","81.732","0.005","1194.3","1.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","2","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza","Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions","RSC Advances","2012","2","13","5610","","10.1039/c2ra20624b","","","0.71069","MoKα","","0.3999","0.0396","","","0.0348","0.0578","","","","","","0.475","","","","has coordinates","244275","2020-10-21","18:00:00",""
"7238659","25.542","0.005","9.4168","0.0019","6.0399","0.0012","90","","90","","90","","1452.7","0.5","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H8 Cl F3 N2 S -","- C14 H8 Cl F3 N2 S -","- C56 H32 Cl4 F12 N8 S4 -","4","1","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza","Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions","RSC Advances","2012","2","13","5610","","10.1039/c2ra20624b","","","0.71073","MoKα","","0.107","0.0505","","","0.1211","0.1331","","","","","","0.767","","","","has coordinates","244275","2020-10-21","18:00:00",""
"7238660","11.767","0.002","6.7984","0.0014","13.303","0.003","90","","115.03","0.03","90","","964.3","0.4","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 F3 N3 O S -","- C6 H8 F3 N3 O S -","- C24 H32 F12 N12 O4 S4 -","4","1","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza","Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions","RSC Advances","2012","2","13","5610","","10.1039/c2ra20624b","","","0.71073","MoKα","","0.0713","0.0323","","","0.0605","0.0662","","","","","","0.795","","","","has coordinates","244275","2020-10-21","18:00:00",""
"7238661","8.1823","0.0016","13.029","0.003","20.97","0.006","90","","104.99","0.03","90","","2159.5","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(Anthracen-10-yl)-6-methoxy-4-phenylquinoline","2-(Anthracen-10-yl)-6-methoxy-4-phenylquinoline","","- C30 H21 N O -","- C30 H21 N O -","- C120 H84 N4 O4 -","4","1","","Anvar, Salma; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Kia, Reza","Efficient and environmentally-benign three-component synthesis of quinolines and bis-quinolines catalyzed by recyclable potassium dodecatungstocobaltate trihydrate under microwave irradiation","RSC Advances","2012","2","23","8713","","10.1039/c2ra20639k","","","0.71073","MoKα","","0.1757","0.0331","","","0.0411","0.0556","","","","","","0.539","","","","has coordinates","244276","2020-10-21","18:00:00",""
"7238662","8.218","0.002","12.994","0.003","20.049","0.005","90","","98.997","0.019","90","","2114.6","0.9","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(anthracen-10-yl)-6-chloro-4-phenylquinoline","2-(Anthracen-10-yl)-6-chloro-4-phenylquinoline","","- C29 H18 Cl N -","- C29 H18 Cl N -","- C116 H72 Cl4 N4 -","4","1","","Anvar, Salma; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Kia, Reza","Efficient and environmentally-benign three-component synthesis of quinolines and bis-quinolines catalyzed by recyclable potassium dodecatungstocobaltate trihydrate under microwave irradiation","RSC Advances","2012","2","23","8713","","10.1039/c2ra20639k","","","0.71073","MoKα","","0.1389","0.0338","","","0.0515","0.0611","","","","","","0.514","","","","has coordinates","244276","2020-10-21","18:00:00",""
"7238663","5.6023","0.0009","16.038","0.002","9.1681","0.0014","90","","97.593","0.003","90","","816.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","0.5","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.082","0.0681","","","0.1606","0.1766","","","","","","1.247","","","","has coordinates","244277","2020-10-21","18:00:00",""
"7238664","7.831","0.003","8.838","0.003","12.436","0.004","90","","93.886","0.007","90","","858.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","0.5","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.1239","0.0739","","","0.1432","0.1632","","","","","","1.123","","","","has coordinates","244277","2020-10-21","18:00:00",""
"7238665","11.2497","0.0007","14.6138","0.0008","15.2418","0.0009","85.752","0.002","73.783","0.001","72.581","0.003","2295.6","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H35 Ag2 F6 N5 O14 S2 -","- C44 H35 Ag2 F6 N5 O14 S2 -","- C88 H70 Ag4 F12 N10 O28 S4 -","2","1","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.0418","0.0396","","","0.1077","0.1094","","","","","","1.032","","","","has coordinates","244277","2020-10-21","18:00:00",""
"7238666","5.9957","0.0011","23.128","0.004","16.303","0.003","90","","90","","90","","2260.7","0.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H18 Ag F3 N2 O8 S -","- C21 H18 Ag F3 N2 O8 S -","- C84 H72 Ag4 F12 N8 O32 S4 -","4","0.5","","Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi","Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands","RSC Advances","2012","2","22","8421","","10.1039/c2ra20642k","","","0.71073","MoKα","","0.0516","0.0433","","","0.1057","0.1106","","","","","","1.093","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7238667","9.493","0.005","11.707","0.005","12.816","0.006","79.59","0.03","73.54","0.04","73.58","0.03","1302.4","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","2","","Thalluri, Kishore; Nadimpally, Krishna Chaitanya; Paul, Ashim; Mandal, Bhubaneswar","Waste reduction in amide synthesis by a continuous method based on recycling of the reaction mixture","RSC Advances","2012","2","17","6838","","10.1039/c2ra20643a","","","0.71073","MoKα","","0.1314","0.0672","","","0.1619","0.2003","","","","","","0.908","","","","has coordinates","244278","2020-10-21","18:00:00",""
"7238668","10.0436","0.0005","14.5106","0.0008","9.4623","0.0005","90","","90","","90","","1379.02","0.13","296","2","296","2","","","","","","","Synthesised","4","P c a 21","P 2c -2ac","29","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Thalluri, Kishore; Nadimpally, Krishna Chaitanya; Paul, Ashim; Mandal, Bhubaneswar","Waste reduction in amide synthesis by a continuous method based on recycling of the reaction mixture","RSC Advances","2012","2","17","6838","","10.1039/c2ra20643a","","x-ray","0.71073","MoKα","","0.1304","0.0521","","","0.1182","0.1419","","","","","","0.595","","","","has coordinates","244278","2020-10-21","18:00:00",""
"7238669","12.1735","0.0008","10.4551","0.0007","14.3322","0.0009","90","","100.548","0.001","90","","1793.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Br2 N2 Ni -","- C17 H20 Br2 N2 Ni -","- C68 H80 Br8 N8 Ni4 -","4","1","","Dudley, Timothy J.; Beck, Jennifer E.; Santos, Earl E. P.; Johnston, Kathryn A.; Kassel, William S.; Dougherty, William G.; Boyko, Walter J.; Zubris, Deanna L.","Conformational analysis via calculations and NMR spectroscopy for isomers of the mono(imino)pyridine ligand, 2-{(2,6-Me2-C6H3)NC(i-Pr)}C5H4N","RSC Advances","2012","2","15","6237","","10.1039/c2ra20688a","","","0.71073","MoKα","","0.0623","0.0345","","","0.0555","0.0606","","","","","","1.055","","","","has coordinates","244279","2020-10-21","18:00:00",""
"7238670","6.8767","0.0005","8.337","0.0007","11.2958","0.0009","89.913","0.004","75.058","0.003","89.886","0.004","625.7","0.09","296","2","296","2","","","","","","","","5","P 1","P 1","1","7,7-Dimethyl-hexahydro-3H-tetraoxa-5-thia-clyclopenta- indaceneoxide","7,7-Dimethyl-hexahydro-3H-tetraoxa-5-thia-clyclopenta-indaceneoxide","","- C12 H17 N O5 S -","- C11 H15 N O6 S -","- C22 H30 N2 O12 S2 -","2","2","","Mukherjee, Subhrangshu; Mandal, Sukhendu B.; Bhattacharjya, Anup","Carbohydrate nitrone and nitrile oxide cycloaddition approach to chiral sulfur heterocycles and nucleosides","RSC Advances","2012","2","24","8969","","10.1039/c2ra20689g","","","0.71073","MoKa","","0.0515","0.0494","","","0.1144","0.115","","","","","","2.6","","","","has coordinates","244280","2020-10-21","18:00:00",""
"7238671","7.654","0.0013","16.83","0.003","11.568","0.002","90","","99.578","0.002","90","","1469.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Zhang, Yu; Pan, Ling; Xu, Xianxiu; Liu, Qun","An efficient pyrroline annulation of glycine imine with enones","RSC Advances","2012","2","12","5138","","10.1039/c2ra20697h","","","0.71069","MoKα","","0.0816","0.0448","","","0.1091","0.1242","","","","","","1.026","","","","has coordinates","244281","2020-10-21","18:00:00",""
"7238672","8.8559","0.0011","23.483","0.003","17.042","0.002","90","","90.122","0.002","90","","3544.1","0.8","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 O4 P2 -","- C7 H20 O4 P2 -","- C84 H240 O48 P24 -","12","3","","Wang, Xiang-Bo; Saga, Yuta; Shen, Ruwei; Fujino, Hiroyoshi; Goto, Midori; Han, Li-Biao","Umpolung catalyzed by organophosphines: efficient β,β-dimerization of vinylphosphonates affording linear dimers","RSC Advances","2012","2","14","5935","","10.1039/c2ra20704d","","","0.71073","MoKα","","0.043","0.035","","","0.0846","0.0893","","","","","","1.034","","","","has coordinates,has disorder","244282","2020-10-21","18:00:00",""
"7238673","7.418","0.002","10.583","0.003","10.003","0.003","90","","98.473","0.003","90","","776.7","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 Fe O -","- C20 H18 Fe O -","- C40 H36 Fe2 O2 -","2","1","","Busetto, Luigi; Mazzoni, Rita; Salmi, Mauro; Zacchini, Stefano; Zanotti, Valerio","Iron(ii) catalyzed dehydrative etherification of alcohols: a convenient route to ferrocenylmethanol-ethers","RSC Advances","2012","2","17","6810","","10.1039/c2ra20708g","","","0.71073","MoKα","","0.0495","0.0385","","","0.0865","0.092","","","","","","0.99","","","","has coordinates","244283","2020-10-21","18:00:00",""
"7238674","10.101","0.012","12.616","0.015","14.018","0.017","96.91","0.017","98.657","0.019","90.19","0.019","1753","4","241","2","241","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu2 N4 Si2 -","- C32 H50 Cu2 N4 Si2 -","- C64 H100 Cu4 N8 Si4 -","2","1","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.0616","0.0394","","","0.0867","0.0977","","","","","","0.995","","","","has coordinates","244284","2020-10-21","18:00:00",""
"7238675","19.456","0.017","9.444","0.008","21.882","0.02","90","","93.237","0.017","90","","4014","6","238","2","238","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H60 Mg N4 O Si2 -","- C36 H60 Mg N4 O Si2 -","- C144 H240 Mg4 N16 O4 Si8 -","4","0.5","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.1189","0.0607","","","0.1447","0.1825","","","","","","0.929","","","","has coordinates,has disorder","244284","2020-10-21","18:00:00",""
"7238676","10.24","0.003","12.316","0.004","20.617","0.006","90","","90","","90","","2600.1","1.4","234","2","234","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 Li N4 Si -","- C22 H41 Li N4 Si -","- C88 H164 Li4 N16 Si4 -","4","1","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.0788","0.0593","","","0.152","0.1641","","","","","","0.974","","","","has coordinates","244284","2020-10-21","18:00:00",""
"7238677","32.031","0.019","9.999","0.006","15.155","0.009","90","","90","","90","","4854","5","238","2","238","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H74 Li2 N4 O3 Si2 -","- C44 H74 Li2 N4 O3 Si2 -","- C176 H296 Li8 N16 O12 Si8 -","4","1","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.1664","0.0812","","","0.1906","0.2462","","","","","","1.015","","","","has coordinates,has disorder","244284","2020-10-21","18:00:00",""
"7238678","10.5093","0.0014","13.6166","0.0017","9.1287","0.0012","90","","114.028","0.006","90","","1193.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Paul, Rajesh; Punniyamurthy, Tharmalingam","Copper-catalysed one-pot synthesis of N-substituted benzo[d]isothiazol-3(2H)-ones via C-S/N-S bond formation","RSC Advances","2012","2","18","7057","","10.1039/c2ra20724a","","","0.71073","MoKα","","0.0584","0.0388","","","0.0879","0.0947","","","","","","1.023","","","","has coordinates","244285","2020-10-21","18:00:00",""
"7238679","15.5323","0.0006","15.5323","0.0006","11.4631","0.0006","90","","90","","120","","2394.99","0.18","200","2","200","2","","","","","","","","4","P -3","-P 3","147","","","","- C48 H49 N5 O9 -","- C48 H49 N5 O9 -","- C96 H98 N10 O18 -","2","0.333333","","Singh, Ashutosh S.; Sun, Shih-Sheng","Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly","RSC Advances","2012","2","25","9502","","10.1039/c2ra20759a","","","0.71073","MoKα","","0.2109","0.1807","","","0.4861","0.4985","","","","","","1.079","","","","has coordinates","244286","2020-10-21","18:00:00",""
"7238680","23.327","0.014","11.333","0.006","15.245","0.009","90","","99.697","0.015","90","","3973","4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 N7 O12 -","- C45 H39 N7 O12 -","- C180 H156 N28 O48 -","4","1","","Singh, Ashutosh S.; Sun, Shih-Sheng","Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly","RSC Advances","2012","2","25","9502","","10.1039/c2ra20759a","","","0.71073","MoKα","","0.2315","0.17","","","0.4652","0.4923","","","","","","1.651","","","","has coordinates","244286","2020-10-21","18:00:00",""
"7238681","12.923","0.004","8.679","0.003","23.217","0.007","90","","102.312","0.011","90","","2544.1","1.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cl4 N2 O3 -","- C27 H18 Cl4 N2 O3 -","- C108 H72 Cl16 N8 O12 -","4","1","","Neves, Cláudia M. B.; Simões, Mário M. Q.; Domíngues, M.Rosário M.; Santos, Isabel C. M. S.; Neves, M.Graça P. M. S.; Paz, Filipe A. Almeida; Silva, Artur M. S.; Cavaleiro, José A. S.","Oxidation of diclofenac catalyzed by manganese porphyrins: synthesis of novel diclofenac derivatives","RSC Advances","2012","2","19","7427","","10.1039/c2ra20801f","","","0.71073","MoKα","","0.1766","0.0583","","","0.1032","0.1374","","","","","","0.964","","","","has coordinates","244287","2020-10-21","18:00:00",""
"7238682","10.851","0.002","10.951","0.002","14.929","0.003","87.827","0.012","84.53","0.011","80.818","0.011","1742.8","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Cl2 N O5 -","- C17 H13 Cl2 N O5 -","- C68 H52 Cl8 N4 O20 -","4","2","","Neves, Cláudia M. B.; Simões, Mário M. Q.; Domíngues, M.Rosário M.; Santos, Isabel C. M. S.; Neves, M.Graça P. M. S.; Paz, Filipe A. Almeida; Silva, Artur M. S.; Cavaleiro, José A. S.","Oxidation of diclofenac catalyzed by manganese porphyrins: synthesis of novel diclofenac derivatives","RSC Advances","2012","2","19","7427","","10.1039/c2ra20801f","","","0.71073","MoKα","","0.1683","0.0956","","","0.2254","0.2686","","","","","","1.011","","","","has coordinates","244287","2020-10-21","18:00:00",""
"7238683","17.142","0.004","14.596","0.003","18.909","0.004","90","","111.326","0.004","90","","4407.2","1.7","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Br N O2 P S -","- C23 H21 Br N O2 P S -","- C184 H168 Br8 N8 O16 P8 S8 -","8","1","","Meng, Xiangtai; Xie, Peizhong; Huang, You; Chen, Ruyu","Organocatalytic domino reaction of salicyl N-thiophosphoryl imines and methyl vinyl ketone initiated by an aza-MBH reaction with bifunctional phosphine catalysts","RSC Advances","2012","2","21","8104","","10.1039/c2ra20823g","","","0.71073","MoKα","","0.1036","0.0472","","","0.1018","0.1251","","","","","","1.007","","","","has coordinates","244288","2020-10-21","18:00:00",""
"7238684","8.8927","0.0007","11.1096","0.0009","11.2148","0.0007","64.309","0.007","75.677","0.006","87.598","0.007","964.68","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O -","- C27 H22 O -","- C54 H44 O2 -","2","1","","Yao, Liang-Feng; Tan, Davin; Miao, Xiaohe; Huang, Kuo-Wei","A route to hydroxylfluorenes: TsOH-mediated condensation reactions of 1,3-diketones with propargylic alcohols","RSC Advances","2012","2","19","7594","","10.1039/c2ra20852k","","","0.71073","MoKα","","0.0773","0.0654","","","0.1939","0.2089","","","","","","0.78","","","","has coordinates","244289","2020-10-21","18:00:00",""
"7238685","7.7884","0.0005","5.916","0.0004","28.2073","0.0019","90","","95.261","0.001","90","","1294.21","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N S3 -","- C12 H15 N S3 -","- C48 H60 N4 S12 -","4","1","","Ahammed, Sabir; Saha, Amit; Ranu, Brindaban C.","Ruthenium catalysed one-pot synthesis of S-allyl and cinnamyl dithiocarbamates using allyl and cinnamyl acetates in water","RSC Advances","2012","2","15","6329","","10.1039/c2ra20856c","","","0.71073","MoKα","","0.0324","0.028","","","0.0715","0.0743","","","","","","1.069","","","","has coordinates","244290","2020-10-21","18:00:00",""
"7238686","5.9196","0.0003","19.4951","0.0009","9.1303","0.0005","90","","107.906","0.005","90","","1002.63","0.09","123","","123","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Haindl, Michael H.; Schmid, Markus B.; Zeitler, Kirsten; Gschwind, Ruth M.","What is your actual catalyst? TMS cleavage rates of diarylprolinol silyl ethers studied by in situ NMR","RSC Advances","2012","2","14","5941","","10.1039/c2ra20860a","","x-ray","1.54184","CuKα","","0.0513","0.0455","","","0.1208","0.1276","","","","","","1.09","","","","has coordinates","244291","2020-10-21","18:00:00",""
"7238687","11.978","0.001","12.7819","0.0011","24.262","0.002","104.128","0.003","93.847","0.003","91.5","0.003","3590.6","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H90 Cl2 N26 O28 -","- C52 H60 Cl2 N26 O28 -","- C104 H120 Cl4 N52 O56 -","2","1","","Lin, Rui-Lian; Dong, Yong-Ping; Hu, Ying-Feng; Liu, Jing-Xin; Bai, Lin-Shang; Gao, Jia-You; Zhu, Hai-Liang; Zhao, Jing","Inclusion of methylviologen in symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril","RSC Advances","2012","2","20","7754","","10.1039/c2ra20918g","","","0.71073","MoKα","","0.141","0.117","","","0.3566","0.3962","","","","","","1.006","","","","has coordinates","244292","2020-10-21","18:00:00",""
"7238688","14.1104","0.0008","4.8957","0.0002","16.7631","0.0008","90","","94.64","0.004","90","","1154.2","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Saikia, Jiban; Saha, Bedabrata; Das, Gopal","Morphosynthesis of framboidal stable vaterite using a salicylic acid-aniline dye as an additive","RSC Advances","2012","2","26","10015","","10.1039/c2ra20975f","","","0.71073","MoKα","","0.1267","0.0525","","","0.1136","0.1445","","","","","","1.011","","","","has coordinates","244293","2020-10-21","18:00:00",""
"7238689","11.1999","0.0004","12.2306","0.0004","16.1208","0.0006","90","","97.15","0.002","90","","2191.08","0.13","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C46 H56 Fe2 O14 -","- C46 H56 Fe2 O14 -","- C92 H112 Fe4 O28 -","2","1","","Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence","Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters","RSC Advances","2012","2","18","7030","","10.1039/c2ra21045b","","x-ray","0.71073","MoKα","","0.0275","0.0249","","","0.055","0.0562","","","","","","1","","","","has coordinates","244294","2020-10-21","18:00:00",""
"7238690","27.0951","0.0007","27.0951","","10.349","0.0003","90","","90","","120","","6579.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C17 H13 Fe N O -","- C17 H13 Fe N O -","- C306 H234 Fe18 N18 O18 -","18","1","","Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence","Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters","RSC Advances","2012","2","18","7030","","10.1039/c2ra21045b","","x-ray","0.71073","MoKα","","0.0315","0.0288","","","0.0856","0.0872","","","","","","1.074","","","","has coordinates","244294","2020-10-21","18:00:00",""
"7238691","15.5491","0.0014","7.6562","0.0007","15.7781","0.0014","90","","105.304","0.007","90","","1811.7","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl N4 O Pd S -","- C18 H13 Cl N4 O2 Pd S -","- C72 H52 Cl4 N16 O8 Pd4 S4 -","4","1","","Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh","Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions","RSC Advances","2012","2","31","11751","","10.1039/c2ra21078a","","","0.71073","MoKα","","0.1101","0.0597","","","0.1765","0.2265","","","","","","0.719","","","","has coordinates","244295","2020-10-21","18:00:00",""
"7238692","14.643","0.002","7.9232","0.0011","15.771","0.002","90","","107.518","0.01","90","","1744.9","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl N4 O Pd S -","- C17 H13 Cl N4 O Pd S -","- C68 H52 Cl4 N16 O4 Pd4 S4 -","4","1","","Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh","Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions","RSC Advances","2012","2","31","11751","","10.1039/c2ra21078a","","","0.71073","MoKα","","0.1925","0.1257","","","0.2886","0.316","","","","","","1.688","","","","has coordinates","244295","2020-10-21","18:00:00",""
"7238693","27.9696","0.0019","35.857","0.003","7.033","0.0005","90","","90","","90","","7053.4","0.9","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H19 N4 O Pd S -","- C18 H16 N4 O Pd S -","- C288 H256 N64 O16 Pd16 S16 -","16","1","","Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh","Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions","RSC Advances","2012","2","31","11751","","10.1039/c2ra21078a","","","0.71073","MoKα","","0.069","0.0385","","","0.074","0.0835","","","","","","0.934","","","","has coordinates","244295","2020-10-21","18:00:00",""
"7238694","11.1965","0.0017","15.03","0.002","10.6135","0.0016","90","","106.835","0.003","90","","1709.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Snape, Timothy J.; Karakoula, Katherine; Rowther, Farzana; Warr, Tracy","Exploiting conformationally restricted N,N′-dimethyl-N,N′-diarylureas as biologically active CC double bond analogues: synthesis and biological evaluation of combretastatin A-4 analogues","RSC Advances","2012","2","19","7557","","10.1039/c2ra21096g","","","0.71073","MoKα","","0.098","0.074","","","0.1243","0.1329","","","","","","1.202","","","","has coordinates","244296","2020-10-21","18:00:00",""
"7238695","9.868","0.004","13.348","0.006","15.424","0.007","66.326","0.007","86.745","0.008","76.657","0.007","1809","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","2","","Snape, Timothy J.; Karakoula, Katherine; Rowther, Farzana; Warr, Tracy","Exploiting conformationally restricted N,N′-dimethyl-N,N′-diarylureas as biologically active CC double bond analogues: synthesis and biological evaluation of combretastatin A-4 analogues","RSC Advances","2012","2","19","7557","","10.1039/c2ra21096g","","","0.71073","MoKα","","0.1117","0.0709","","","0.1643","0.181","","","","","","1.043","","","","has coordinates","244296","2020-10-21","18:00:00",""
"7238696","9.1922","0.0011","10.0794","0.0012","11.4797","0.0013","105.782","0.001","97.609","0.001","99.773","0.001","990.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C54 H42 N2 O2 -","2","1","","Shang, Yongjia; Wang, Lifen; He, Xinwei; Zhang, Min","Novel syntheses of pyrrolo[2,1-a]isoquinolines via 1,3-dipolar cycloaddition between Isoquinoliniums and alkynes","RSC Advances","2012","2","20","7681","","10.1039/c2ra21116e","","","0.71073","MoKα","","0.0471","0.0407","","","0.1122","0.1199","","","","","","1.044","","","","has coordinates","244297","2020-10-21","18:00:00",""
"7238697","12.4387","0.0009","18.3179","0.0014","11.7836","0.0009","90","","94.461","0.001","90","","2676.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N O2 -","- C36 H27 N O2 -","- C144 H108 N4 O8 -","4","1","","Shang, Yongjia; Wang, Lifen; He, Xinwei; Zhang, Min","Novel syntheses of pyrrolo[2,1-a]isoquinolines via 1,3-dipolar cycloaddition between Isoquinoliniums and alkynes","RSC Advances","2012","2","20","7681","","10.1039/c2ra21116e","","","0.71073","MoKα","","0.075","0.0562","","","0.1606","0.1817","","","","","","1.039","","","","has coordinates","244297","2020-10-21","18:00:00",""
"7238698","8.9045","0.0011","10.3308","0.0012","14.0372","0.0017","106.489","0.003","100.946","0.003","90.64","0.003","1212.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Mn3 N22 O12 -","- C40 H40 Mn3 N22 O12 -","- C40 H40 Mn3 N22 O12 -","1","0.5","","Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Xuan; Gao, En-Qing","Mixed azide and carboxylate bridged trinuclear Mn(ii) and Co(ii) motifs in coordination ladders: structures and magnetism","RSC Advances","2012","2","27","10352","","10.1039/c2ra21173d","","","0.71073","MoKα","","0.0332","0.0289","","","0.0784","0.0815","","","","","","1.05","","","","has coordinates","244298","2020-10-21","18:00:00",""
"7238699","24.196","0.003","9.5392","0.0012","16.684","0.002","90","","101.545","0.002","90","","3772.9","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 N10 Ni O14 S2 -","- C28 H40 N10 Ni O14 S2 -","- C112 H160 N40 Ni4 O56 S8 -","4","0.5","","Ramachandran, Eswaran; Raja, Duraisamy Senthil; Mike, Joshua L.; Wagner, Timothy R.; Zeller, Matthias; Natarajan, Karuppannan","Evaluation on the role of terminal N-substitution in 6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the biological properties of new water-soluble nickel(ii) complexes","RSC Advances","2012","2","22","8515","","10.1039/c2ra21199h","","","0.71073","MoKα","","0.0533","0.038","","","0.0895","0.1003","","","","","","1.048","","","","has coordinates,has disorder","244299","2020-10-21","18:00:00",""
"7238700","9.8423","0.0005","13.4447","0.0007","13.1983","0.0007","90","","101.539","0.002","90","","1711.19","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25.26 Br N O0.63 -","- C17 H25.256 Br N O0.628 -","- C68 H101.024 Br4 N4 O2.512 -","4","1","","Lava, Kathleen; Evrard, Yannick; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Quinolinium and isoquinolinium ionic liquid crystals","RSC Advances","2012","2","21","8061","","10.1039/c2ra21208k","","","1.54178","CuKα","","0.0668","0.0537","","","0.1285","0.138","","","","","","1.044","","","","has coordinates","244301","2020-10-21","18:00:00",""
"7238701","8.0982","0.0002","8.6854","0.0002","23.0307","0.0005","96.833","0.001","98.696","0.001","104.907","0.001","1526.1","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H49 N O4 S -","- C29 H49 N O4 S -","- C58 H98 N2 O8 S2 -","2","1","","Lava, Kathleen; Evrard, Yannick; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Quinolinium and isoquinolinium ionic liquid crystals","RSC Advances","2012","2","21","8061","","10.1039/c2ra21208k","","","1.54178","CuKα","","0.1377","0.0814","","","0.1675","0.1885","","","","","","1.087","","","","has coordinates,has disorder","244301","2020-10-21","18:00:00",""
"7238702","7.4669","0.0006","9.0018","0.0006","12.991","0.0011","93.708","0.005","95.044","0.006","93.142","0.005","866.39","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 F3 N O5 P -","- C16 H19 F3 N O5 P -","- C32 H38 F6 N2 O10 P2 -","2","1","","Duda, Blazej; Tverdomed, Sergey N.; Röschenthaler, Gerd-Volker","An efficient and regioselective synthetic approach towards fluorinated quinolinylphosphonates","RSC Advances","2012","2","24","9135","","10.1039/c2ra21212a","","","0.71073","MoKα","","0.0713","0.0426","","","0.0985","0.1118","","","","","","1.024","","","","has coordinates","244302","2020-10-21","18:00:00",""
"7238703","9.2138","0.0015","9.2556","0.0015","14.723","0.003","99.6509","0.0016","96.6679","0.0014","112.748","0.0015","1118.7","0.3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N2 O9 -","- C19 H25 N2 O9 -","- C38 H50 N4 O18 -","2","1","","Yamazaki, Shoko; Maenaka, Yuta; Fujinami, Ken; Mikata, Yuji","Triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with activated alkenes leading to pyrazolines","RSC Advances","2012","2","21","8095","","10.1039/c2ra21249h","","","0.7107","MoKα","","","0.06","","","","0.1697","","","","","","1.06","","","","has coordinates","244303","2020-10-21","18:00:00",""
"7238704","14.83","0.003","9.225","0.0016","14.606","0.002","90","","90","","90","","1998.2","0.6","110","","110","","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C12 H18 F6 Li N6 P -","- C12 H18 F6 Li N6 P -","- C48 H72 F24 Li4 N24 P4 -","4","0.5","","Seo, Daniel M.; Boyle, Paul D.; Borodin, Oleg; Henderson, Wesley A.","Li+ cation coordination by acetonitrile—insights from crystallography","RSC Advances","2012","2","21","8014","","10.1039/c2ra21290k","","","0.71073","MoKα","","0.0547","0.0402","","","0.101","0.1088","","","","","","1.019","","","","has coordinates,has disorder","244304","2020-10-21","18:00:00",""
"7238705","11.7352","0.0005","8.5659","0.0003","12.1021","0.0004","90","","110.616","0.002","90","","1138.63","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 O1.063 -","- C12 H14 N4 O1.063 -","- C48 H56 N16 O4.252 -","4","1","","Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","En route towards α-benzotriazoyl nitroso derivatives","RSC Advances","2012","2","24","8941","","10.1039/c2ra21311g","","","0.71073","MoKα","","0.0469","0.0376","","","0.0976","0.1041","","","","","","1.069","","","","has coordinates,has disorder","244305","2020-10-21","18:00:00",""
"7238706","5.9246","0.0009","11.7114","0.0019","16.898","0.003","90","","90","","90","","1172.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","1","","Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","En route towards α-benzotriazoyl nitroso derivatives","RSC Advances","2012","2","24","8941","","10.1039/c2ra21311g","","","0.71073","MoKα","","0.0362","0.0346","","","0.0888","0.0904","","","","","","1.071","","","","has coordinates","244305","2020-10-21","18:00:00",""
"7238707","12.536","0.002","7.7673","0.0011","18.601","0.003","90","","104.154","0.004","90","","1756.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C80 H68 Cl8 N4 O4 -","4","1","","Reddy, G. Rajeshwar; Reddy, T. Ram; Joseph, Suju C.; Reddy, K. Sateesh; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rambabu, D.; Krishna, G. Rama; Reddy, C. Malla; Parsa, Kishore V. L.; Kumar, K. Shiva; Pal, Manojit","Yb(OTf)3 mediated MCR: a new and regioselective approach towards polysubstituted pyrroles of pharmacological interest","RSC Advances","2012","2","24","9142","","10.1039/c2ra21343e","","","0.71073","MoKα","","0.1043","0.0474","","","0.1094","0.136","","","","","","1.015","","","","has coordinates","244306","2020-10-21","18:00:00",""
"7238708","9.0282","0.0003","13.7694","0.0005","14.72","0.0005","90","","99.307","0.002","90","","1805.8","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 N6 O10 U -","- C8 H14 N6 O10 U -","- C32 H56 N24 O40 U4 -","4","1","","Barber, Patrick S.; Kelley, Steven P.; Rogers, Robin D.","Highly selective extraction of the uranyl ion with hydrophobic amidoxime-functionalized ionic liquids via η2 coordination","RSC Advances","2012","2","22","8526","","10.1039/c2ra21344c","","","0.71073","MoKα","","0.0245","0.0199","","","0.0485","0.0504","","","","","","1.071","","","","has coordinates","244307","2020-10-21","18:00:00",""
"7238709","7.6448","0.0002","7.9573","0.0002","11.2132","0.0002","85.282","0.001","81.158","0.001","72.499","0.001","642.35","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 I N O4 -","- C13 H10 I N O4 -","- C26 H20 I2 N2 O8 -","2","1","","Christensen, Mikkel Andreas; Jennum, Karsten; Abrahamsen, Peter Bæch; Pia, Eduardo Antonio Della; Lincke, Kasper; Broman, Søren Lindbæk; Nygaard, David Bo; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Highly fluorescent benzofuran derivatives of the GFP chromophore","RSC Advances","2012","2","22","8243","","10.1039/c2ra21380j","","","0.71073","MoKα","","0.0223","0.0207","","","0.0516","0.0526","","","","","","1.057","","","","has coordinates","244308","2020-10-21","18:00:00",""
"7238710","12.3535","0.0006","9.0797","0.0005","15.881","0.0008","90","","102.01","0.003","90","","1742.32","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 Cl N4 O S -","- C19 H11 Cl N4 S -","- C76 H44 Cl4 N16 S4 -","4","1","","Khan, Md. Nasim; Pal, Suman; Parvin, Tasneem; Choudhury, Lokman H.","A simple and efficient method for the facile access of highly functionalized pyridines and their fluorescence property studies","RSC Advances","2012","2","32","12305","","10.1039/c2ra21385k","","","0.71073","MoKα","","0.0714","0.0567","","","0.1766","0.1883","","","","","","1.297","","","","has coordinates","244309","2020-10-21","18:00:00",""
"7238711","6.83","0.005","10.633","0.008","12.576","0.01","78.645","0.009","74.258","0.009","71.914","0.009","829.3","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H21 N12 O7 P -","- C6 H21 N12 O7 P -","- C12 H42 N24 O14 P2 -","2","1","","Huang, Sheng Tian; Wang, Gang Lin; Li, Nian Bing; Luo, Hong Qun","Mechanism of the pH-induced aggregation reaction between melamine and phosphate","RSC Advances","2012","2","29","10948","","10.1039/c2ra21415f","","","0.71073","MoKα","","0.0711","0.0498","","","0.1271","0.1516","","","","","","1","","","","has coordinates,has disorder","244310","2020-10-21","18:00:00",""
"7238712","8.5922","0.0011","34.87","0.004","12.1899","0.0014","90","","91.989","0.008","90","","3650","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 Co3 N12 O9 -","- C38 H24 Co3 N12 O9 -","- C152 H96 Co12 N48 O36 -","4","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Duan, Ya-Ping; Bai, Liang; Yang, Jing-Jing","Unique 3D CoII/ZnII-coordination polymers with (3,4,5)-connected self-penetrating topology: Syntheses, topological structures, luminescent and magnetic properties","RSC Advances","2012","2","30","11219","","10.1039/c2ra21474a","","","0.71073","MoKα","","0.1455","0.0679","","","0.1278","0.1631","","","","","","1.035","","","","has coordinates","244311","2020-10-21","18:00:00",""
"7238713","8.646","0.0008","35.144","0.003","12.0483","0.001","90","","92.381","0.004","90","","3657.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N12 O9 Zn3 -","- C38 H24 N12 O9 Zn3 -","- C152 H96 N48 O36 Zn12 -","4","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Duan, Ya-Ping; Bai, Liang; Yang, Jing-Jing","Unique 3D CoII/ZnII-coordination polymers with (3,4,5)-connected self-penetrating topology: Syntheses, topological structures, luminescent and magnetic properties","RSC Advances","2012","2","30","11219","","10.1039/c2ra21474a","","","0.71073","MoKα","","0.0855","0.0576","","","0.1215","0.1342","","","","","","1.086","","","","has coordinates","244311","2020-10-21","18:00:00",""
"7238714","5.864","0.0002","15.2666","0.0018","26.181","0.002","90","","90","","90","","2343.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O5 -","- C25 H26 Br N3 O5 -","- C100 H104 Br4 N12 O20 -","4","1","","Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C.","Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents","RSC Advances","2012","2","30","11438","","10.1039/c2ra21514d","","x-ray","0.71073","MoKα","","0.0401","0.0289","","","0.0568","0.0583","","","","","","0.95","","","","has coordinates","244312","2020-10-21","18:00:00",""
"7238715","5.1446","0.0003","13.3386","0.001","33.974","0.003","90","","90","","90","","2331.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O5 -","- C24 H24 Br N3 O5 -","- C96 H96 Br4 N12 O20 -","4","1","","Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C.","Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents","RSC Advances","2012","2","30","11438","","10.1039/c2ra21514d","","x-ray","1.54184","CuKα","","0.0719","0.0529","","","0.1243","0.1332","","","","","","1.105","","","","has coordinates,has disorder","244312","2020-10-21","18:00:00",""
"7238716","11.015","0.0012","9.2725","0.001","18.251","0.002","90","","99.203","0.001","90","","1840.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Ag2 N4 O6 S -","- C16 H13 Ag2 N4 O6 S -","- C64 H52 Ag8 N16 O24 S4 -","4","1","","Sun, Jie; Wei, Yan-Hui; Liu, Fu-Ling; Sun, Di","Syntheses, crystal structures and photoluminescent properties of silver(i) and cadmium(ii) coordination polymers constructed from flexible hexadentate di-Schiff base ligands","RSC Advances","2012","2","27","10189","","10.1039/c2ra21533k","","","0.71073","MoKα","","0.0737","0.0481","","","0.1219","0.1344","","","","","","1.034","","","","has coordinates","244313","2020-10-21","18:00:00",""
"7238717","35.5141","0.0011","37.5405","0.0012","10.7672","0.0003","90","","90","","90","","14355","0.8","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H26 Cd2 N8 O12 S2 -","- C32 H26 Cd2 N8 O12 S2 -","- C512 H416 Cd32 N128 O192 S32 -","16","1","","Sun, Jie; Wei, Yan-Hui; Liu, Fu-Ling; Sun, Di","Syntheses, crystal structures and photoluminescent properties of silver(i) and cadmium(ii) coordination polymers constructed from flexible hexadentate di-Schiff base ligands","RSC Advances","2012","2","27","10189","","10.1039/c2ra21533k","","","0.71073","MoKα","","0.0179","0.0166","","","0.0359","0.0365","","","","","","1.015","","","","has coordinates","244313","2020-10-21","18:00:00",""
"7238718","9.3812","0.0014","19.472","0.003","13.19","0.0019","90","","106.254","0.002","90","","2313.1","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl N3 O5 -","- C23 H24 Cl N3 O5 -","- C92 H96 Cl4 N12 O20 -","4","1","","Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi","Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement","RSC Advances","2012","2","24","8949","","10.1039/c2ra21549g","","","0.71073","MoKα","","0.0769","0.0605","","","0.1728","0.1876","","","","","","1.054","","","","has coordinates","244314","2020-10-21","18:00:00",""
"7238719","11.3854","0.0012","12.1629","0.0013","12.6647","0.0013","97.717","0.002","95.368","0.002","111.818","0.002","1593.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Cl N2 O3 -","- C15 H17 Cl N2 O3 -","- C60 H68 Cl4 N8 O12 -","4","2","","Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi","Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement","RSC Advances","2012","2","24","8949","","10.1039/c2ra21549g","","","0.71073","MoKα","","0.077","0.0463","","","0.1033","0.1137","","","","","","1.012","","","","has coordinates","244314","2020-10-21","18:00:00",""
"7238720","11.936","0.002","9.6365","0.0017","21.342","0.003","90","","116.511","0.007","90","","2196.7","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br Cl N3 O4 -","- C21 H19 Br Cl N3 O4 -","- C84 H76 Br4 Cl4 N12 O16 -","4","1","","Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi","Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement","RSC Advances","2012","2","24","8949","","10.1039/c2ra21549g","","","0.71073","MoKα","","0.0667","0.0532","","","0.1401","0.1493","","","","","","1.016","","","","has coordinates","244314","2020-10-21","18:00:00",""
"7238721","8.8443","0.0006","12.9861","0.0009","18.029","0.0013","90","","90","","90","","2070.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N4 O11 -","- C20 H26 N4 O11 -","- C80 H104 N16 O44 -","4","1","","Theile, Christopher S.; McLaughlin, Larry W.","Synthesis of 6,6′-(S)-cyclo-2′-deoxyuridine featuring a unique Barbier-style cyclization","RSC Advances","2012","2","31","11678","","10.1039/c2ra21559d","","","1.54178","CuKα","","0.0261","0.0255","","","0.0646","0.0651","","","","","","1.051","","","","has coordinates","244315","2020-10-21","18:00:00",""
"7238722","7.7227","0.0006","11.4586","0.0009","13.0552","0.0011","78.782","0.004","81.895","0.004","80.857","0.004","1111.55","0.16","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Maurya, Hardesh K.; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Huch, Volker; Tandon, Vishnu K.; Ji Ram, Vishnu","A carbanion induced ring switching synthesis of spiranes: an unprecedented approach","RSC Advances","2012","2","24","9091","","10.1039/c2ra21587j","","","0.71073","MoKα","","0.0929","0.0653","","","0.1539","0.1666","","","","","","1.181","","","","has coordinates","244316","2020-10-21","18:00:00",""
"7238723","7.883","0.005","11.024","0.005","14.736","0.005","110.363","0.005","96.456","0.005","104.041","0.005","1137.1","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H48 Br2 N4 O4 -","- C53 H48 Br2 N4 O4 -","- C53 H48 Br2 N4 O4 -","1","0.5","","Maurya, Hardesh K.; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Huch, Volker; Tandon, Vishnu K.; Ji Ram, Vishnu","A carbanion induced ring switching synthesis of spiranes: an unprecedented approach","RSC Advances","2012","2","24","9091","","10.1039/c2ra21587j","","","0.71073","MoKα","","0.1261","0.0714","","","0.1698","0.2021","","","","","","1.026","","","","has coordinates","244316","2020-10-21","18:00:00",""
"7238724","18.36","0.003","10.7617","0.0018","15.277","0.003","90","","90","","90","","3018.5","0.9","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Reddy, B. V. Subba; Reddy, Y. Vikram; Lakshumma, P. Subba; Narasimhulu, G.; Yadav, J. S.; Sridhar, B.; Reddy, P. Purushotham; Kunwar, A. C.","In(OTf)3-catalyzed tandem aza-Piancatelli rearrangement/Michael reaction for the synthesis of 3,4-dihydro-2H-benzo[b][1,4]thiazine and oxazine derivatives","RSC Advances","2012","2","28","10661","","10.1039/c2ra21591h","","","0.71073","MoKα","","0.042","0.0341","","","0.0898","0.0972","","","","","","1.053","","","","has coordinates","244317","2020-10-21","18:00:00",""
"7238725","14.213","0.008","7.615","0.004","34.237","0.018","90","","90","","90","","3706","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H17 F3 -","- C24 H17 F3 -","- C192 H136 F24 -","8","1","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.1488","0.0724","","","0.2068","0.2603","","","","","","1.029","","","","has coordinates","244318","2020-10-21","18:00:00",""
"7238726","5.9678","0.0003","18.3299","0.0007","15.8727","0.0007","90","","99.236","0.002","90","","1713.79","0.13","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.0591","0.0459","","","0.1209","0.1309","","","","","","1.057","","","","has coordinates","244318","2020-10-21","18:00:00",""
"7238727","14.06","0.005","17.548","0.006","7.824","0.003","90","","90","","90","","1930.4","1.2","293","2","293","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.1531","0.0528","","","0.0875","0.1156","","","","","","0.989","","","","has coordinates","244318","2020-10-21","18:00:00",""
"7238728","8.3555","0.0005","11.4727","0.0006","21.3695","0.0012","92.113","0.004","97.85","0.004","91.027","0.004","2027.4","0.2","293","2","293","2","","","","","","","","2","P 1","P 1","1","","","","- C29 H22 -","- C29 H22 -","- C116 H88 -","4","4","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.113","0.0534","","","0.1026","0.1267","","","","","","1.001","","","","has coordinates","244318","2020-10-21","18:00:00",""
"7238729","7.3048","0.0004","6.2025","0.0003","35.783","0.002","90","","95.732","0.005","90","","1613.15","0.15","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0726","0.0491","","","0.117","0.1314","","","","","","1.002","","","","has coordinates","244319","2020-10-21","18:00:00",""
"7238730","5.5937","0.0003","42.721","0.003","8.7533","0.0006","90","","96.129","0.006","90","","2079.8","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O2 S -","- C26 H20 N2 O2 S -","- C104 H80 N8 O8 S4 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0619","0.0464","","","0.1208","0.1316","","","","","","0.997","","","","has coordinates","244319","2020-10-21","18:00:00",""
"7238731","35.744","0.007","4.8494","0.0011","12.392","0.003","90","","96.97","0.02","90","","2132.1","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O4 S -","- C26 H20 N2 O4 S -","- C104 H80 N8 O16 S4 -","4","0.5","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0778","0.053","","","0.1213","0.135","","","","","","1.051","","","","has coordinates","244319","2020-10-21","18:00:00",""
"7238732","6.4795","0.0016","7.343","0.002","7.8656","0.0012","78.621","0.017","79.482","0.016","73.05","0.02","347.81","0.14","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br2 N2 O2 -","- C14 H10 Br2 N2 O2 -","- C14 H10 Br2 N2 O2 -","1","0.5","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0739","0.0621","","","0.1599","0.1714","","","","","","1.07","","","","has coordinates","244319","2020-10-21","18:00:00",""
"7238733","6.0244","0.0006","46.278","0.003","9.4342","0.001","90","","129.701","0.017","90","","2023.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)","RSC Advances","2012","2","30","11379","","10.1039/c2ra21631k","","","0.71073","MoKα","","0.0889","0.0841","","","0.2193","0.2251","","","","","","1.103","","","","has coordinates","244319","2020-10-21","18:00:00",""
"7238734","13.589","0.003","17.012","0.003","14.339","0.003","90","","97.84","0.03","90","","3283.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B18 H44 Na10 O79 V12 -","- B18 Na10 O79 V12 -","- B36 Na20 O158 V24 -","2","0.5","","Zhou, Jian; Liu, Xing; Hu, Feilong; Zou, Huahong; Li, Rong; Li, Xiaojuan","One novel 3-D vanadoborate with unusual 3-D Na‒O‒Na network","RSC Advances","2012","2","29","10937","","10.1039/c2ra21635c","","","0.71073","MoKα","","0.0592","0.0545","","","0.1534","0.1573","","","","","","1.185","","","","has coordinates,has disorder","244320","2020-10-21","18:00:00",""
"7238736","4.6857","0.0005","13.4725","0.0018","22.52","0.002","90","","90","","90","","1421.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","12-fluoro-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","12-fluoro-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0658","0.0447","","","0.0951","0.1073","","","","","","1.049","","","","has coordinates","244322","2020-10-21","18:00:00",""
"7238737","5.1005","0.0003","12.8705","0.0007","23.9984","0.0014","90","","90.25","0.005","90","","1575.38","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","10,12-dimethyl-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","10,12-dimethyl-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0708","0.0443","","","0.1006","0.1107","","","","","","1.038","","","","has coordinates","244322","2020-10-21","18:00:00",""
"7238738","6.7583","0.0003","17.8626","0.0007","10.4574","0.0005","90","","104.431","0.005","90","","1222.59","0.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","10-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","10-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0529","0.0381","","","0.0792","0.0844","","","","","","1.003","","","","has coordinates","244322","2020-10-21","18:00:00",""
"7238739","12.9129","0.0005","12.3328","0.0005","19.1436","0.0009","90","","100.509","0.004","90","","2997.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3,4,4a,7,8,13b,13c-octahydro-1H-benzo[1,2]indolizino[8,7-b]indol-5(13H)-one","2,3,4,4a,7,8,13b,13c-octahydro-1H-benzo[1,2]indolizino[8,7-b]indol-5(13H)-one","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C144 H160 N16 O8 -","8","2","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.7107","MoKα","","0.0744","0.0451","","","0.097","0.1104","","","","","","1.026","","","","has coordinates","244322","2020-10-21","18:00:00",""
"7238740","7.6018","0.0013","9.8711","0.0016","10.129","0.0017","99.173","0.002","106.817","0.002","101.998","0.002","691.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","13b-hydroxy-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","13b-hydroxy-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-5-one","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj","Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A","RSC Advances","2012","2","33","12665","","10.1039/c2ra21734a","","","0.71073","MoKα","","0.0463","0.042","","","0.1053","0.1083","","","","","","1.054","","","","has coordinates","244322","2020-10-21","18:00:00",""
"7238741","15.7399","0.0015","8.8045","0.0008","24.485","0.002","90","","90","","90","","3393.2","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C184 H160 N16 -","8","1","","Viji, Mayavan; Nagarajan, Rajagopal","Zinc triflate catalyzed regioselective synthesis of pyrrolo[2,3-c]carbazoles via heteroannulation","RSC Advances","2012","2","28","10544","","10.1039/c2ra21735j","","","0.71073","MoKα","","0.0703","0.0597","","","0.1253","0.1306","","","","","","1.158","","","","has coordinates","244323","2020-10-21","18:00:00",""
"7238742","6.017","0.0005","8.991","0.0008","27.632","0.003","90","","90","","90","","1494.9","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl2 N2 -","- C17 H14 Cl2 N2 -","- C68 H56 Cl8 N8 -","4","1","","Viji, Mayavan; Nagarajan, Rajagopal","Zinc triflate catalyzed regioselective synthesis of pyrrolo[2,3-c]carbazoles via heteroannulation","RSC Advances","2012","2","28","10544","","10.1039/c2ra21735j","","","0.71073","MoKα","","0.0624","0.0603","","","0.159","0.1603","","","","","","1.215","","","","has coordinates","244323","2020-10-21","18:00:00",""
"7238743","14.3071","0.001","8.7477","0.0006","15.7408","0.0011","90","","95.763","0.002","90","","1960.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N5 O2 -","- C22 H21 N5 O2 -","- C88 H84 N20 O8 -","4","1","","You, Qi-Hua; Chan, Pui-Shan; Chan, Wing-Hong; Hau, Sam C. K.; Lee, Albert W. M.; Mak, N. K.; Mak, Thomas C. W.; Wong, Ricky N. S.","A quinolinyl antipyrine based fluorescence sensor for Zn2+ and its application in bioimaging","RSC Advances","2012","2","29","11078","","10.1039/c2ra21736h","","","0.71073","MoKα","","0.1047","0.0605","","","0.1492","0.1809","","","","","","1.063","","","","has coordinates","244324","2020-10-21","18:00:00",""
"7238744","13.2632","0.001","13.7584","0.001","15.903","0.0012","102.994","0.001","92.461","0.001","113.432","0.001","2565.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H54 N2 O5 P2 Pd2 -","- C53 H54 N2 O5 P2 Pd2 -","- C106 H108 N4 O10 P4 Pd4 -","2","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Tyagi, Kriti; Kapdi, Anant","New phospha-palladacycles: efficient catalysts in the formylation of aryl chlorides","RSC Advances","2012","2","32","12237","","10.1039/c2ra21770h","","","0.71073","MoKα","","0.0562","0.0518","","","0.1702","0.1764","","","","","","1.082","","","","has coordinates","244325","2020-10-21","18:00:00",""
"7238746","14.215","0.013","7.397","0.007","16.759","0.015","90","","111.05","0.02","90","","1645","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Moran, Wesley J.; MacRory, Kerry L.; Rodríguez, Arantxa","Oxidative rearrangement of indoles to oxindoles","RSC Advances","2012","2","24","8962","","10.1039/c2ra21800c","","","0.71073","MoKα","","0.0743","0.0467","","","0.1201","0.1363","","","","","","1.039","","","","has coordinates","244327","2020-10-21","18:00:00",""
"7238747","5.6073","0.0008","8.1748","0.0011","12.5","0.0017","103.057","0.007","90.883","0.008","96.555","0.008","554.02","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2-Amino-3-cyano-4H-chromene-4-yl)malononitrile","","- C13 H8 N4 O -","- C13 H8 N4 O -","- C26 H16 N8 O2 -","2","1","","Bhat, Subrahmanya Ishwar; Choudhury, Angshuman Roy; Trivedi, Darshak R.","Condensation of malononitrile with salicylaldehydes and o-aminobenzaldehydes revisited: solvent and catalyst free synthesis of 4H-chromenes and quinolines","RSC Advances","2012","2","28","10556","","10.1039/c2ra21849f","","","0.71073","MoKα","","0.0586","0.054","","","0.1463","0.1526","","","","","","1.06","","","","has coordinates","244328","2020-10-21","18:00:00",""
"7238748","7.30775","0.0001","23.3444","0.0003","18.8151","0.0003","90","","90","","90","","3209.76","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H26 Cd O16 Zn2 -","- C27 H26 Cd O16 Zn2 -","- C108 H104 Cd4 O64 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0311","0.027","","","0.079","0.0802","","","","","","1.098","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238749","7.35853","0.00019","23.5965","0.0005","18.7029","0.0004","90","","90","","90","","3247.49","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H26 Ca O16 Zn2 -","- C27 H26 Ca O16 Zn2 -","- C108 H104 Ca4 O64 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0433","0.0393","","","0.1233","0.1263","","","","","","1.092","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238750","15.7091","0.0007","21.6243","0.0009","13.2974","0.0005","90","","90","","90","","4517.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C36 H50 Ca O19 Zn2 -","- C36 H50 Ca O19 Zn2 -","- C144 H200 Ca4 O76 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0778","0.0539","","","0.1415","0.1596","","","","","","1.034","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238751","16.0781","0.0005","21.0471","0.0006","12.8084","0.0004","90","","90","","90","","4334.3","0.2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H48 O18 Zn3 -","- C36 H48 O18 Zn3 -","- C144 H192 O72 Zn12 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0696","0.0577","","","0.1454","0.1547","","","","","","1.088","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00",""
"7238752","9.105","0.014","12.4","0.02","12.57","0.02","100.78","0.04","96","0.03","94.43","0.04","1380","4","200.1","","343","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Br2 Cu2 N8 -","- C26 Br2 Cu2 N8 -","- C52 Br4 Cu4 N16 -","2","1","","Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S.","Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system","RSC Advances","2012","2","32","12169","","10.1039/c2ra21865h","","","0.7107","MoKα","","","0.3495","","","","0.6973","","","","","","1.476","","","","has coordinates","244330","2020-10-21","18:00:00",""
"7238753","9.9","0.004","11.605","0.004","12.558","0.005","104.791","0.01","89.286","0.009","97.093","0.01","1384","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Br2 Cu2 N8 O3 -","- C26 H18 Br2 Cu2 N8 O3 -","- C52 H36 Br4 Cu4 N16 O6 -","2","1","","Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S.","Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system","RSC Advances","2012","2","32","12169","","10.1039/c2ra21865h","","","0.7107","MoKα","","","0.0352","","","","0.0941","","","","","","0.999","","","","has coordinates","244330","2020-10-21","18:00:00",""
"7238754","10.17","0.05","11.52","0.06","11.77","0.05","77.82","0.06","86.94","0.06","85.43","0.08","1343","11","200.1","","323","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Br2 Cu2 N8 O2 -","- C26 Br2 Cu2 N8 O2 -","- C52 Br4 Cu4 N16 O4 -","2","1","","Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S.","Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system","RSC Advances","2012","2","32","12169","","10.1039/c2ra21865h","","","0.71075","MoKα","","","0.1718","","","","0.4726","","","","","","1.127","","","","has coordinates","244330","2020-10-21","18:00:00",""
"7238755","6.382","0.002","10.275","0.004","18.954","0.007","90","","93.034","0.004","90","","1241.2","0.8","200.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br2 Cu2 N8 -","- C26 H18 Br2 Cu2 N8 -","- C52 H36 Br4 Cu4 N16 -","2","0.5","","Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S.","Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system","RSC Advances","2012","2","32","12169","","10.1039/c2ra21865h","","","0.7107","MoKα","","","0.022","","","","0.0609","","","","","","1.018","","","","has coordinates","244330","2020-10-21","18:00:00",""
"7238756","20.4426","0.0045","7.457","0.0017","13.7891","0.003","90","","108.579","0.003","90","","1992.5","0.8","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O S2 -","- C25 H21 N O S2 -","- C100 H84 N4 O4 S8 -","4","1","","Karak, Debasis; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Sanmartín Matalobos, Jesús; Das, Debasis","Interaction of soft donor sites with a hard metal ion: crystallographically characterized blue emitting fluorescent probe for Al(iii) with cell staining studies","RSC Advances","2012","2","32","12447","","10.1039/c2ra21911e","","x-ray","0.7107","MoKα","","0.0824","0.0457","","","0.0936","0.1081","","","","","","0.974","","","","has coordinates","244331","2020-10-21","18:00:00",""
"7238758","4.95296","0.00011","13.05589","0.0003","19.7444","0.0005","90","","93.6514","0.0024","90","","1274.19","0.05","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","al benezenediphos","","","- C3 Al F O5 P -","- C3 Al F O5 P -","- C24 Al8 F8 O40 P8 -","8","1","","Attfield, Martin P.; Mendieta-Tan, Carlos; Telchadder, Ryan N.; Roberts, Mark A.","Synthesis, crystal structure and properties of a novel framework aluminium diphosphonate","RSC Advances","2012","2","27","10291","","10.1039/c2ra21930a","powder diffraction","x-ray","1","synchrotron","","","","","","","","0.20592","","2.83","","","","","","","has coordinates","244333","2020-10-21","18:00:00",""
"7238759","12.2026","0.001","15.5375","0.0013","20.834","0.002","90","","90.456","0.008","90","","3950","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 B Cl3 F2 Fe2 N2 -","- C44 H36 B Cl3 F2 Fe2 N2 -","- C176 H144 B4 Cl12 F8 Fe8 N8 -","4","1","","Gautam, Prabhat; Dhokale, Bhausaheb; Mobin, Shaikh M.; Misra, Rajneesh","Ferrocenyl BODIPYs: synthesis, structure and properties","RSC Advances","2012","2","32","12105","","10.1039/c2ra21964f","","","0.71073","MoKα","","0.1026","0.0826","","","0.2261","0.2555","","","","","","1.07","","","","has coordinates","244334","2020-10-21","18:00:00",""
"7238760","29.777","0.003","11.2969","0.0006","14.2126","0.001","90","","117.784","0.01","90","","4229.8","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H43 B F2 Fe2 N2 -","- C55 H43 B F2 Fe2 N2 -","- C220 H172 B4 F8 Fe8 N8 -","4","0.5","","Gautam, Prabhat; Dhokale, Bhausaheb; Mobin, Shaikh M.; Misra, Rajneesh","Ferrocenyl BODIPYs: synthesis, structure and properties","RSC Advances","2012","2","32","12105","","10.1039/c2ra21964f","","","0.71073","MoKα","","0.0841","0.0529","","","0.1381","0.1649","","","","","","1.059","","","","has coordinates","244334","2020-10-21","18:00:00",""
"7238761","6.0659","0.0002","15.5656","0.0006","12.9608","0.0005","90","","99.791","0.003","90","","1205.93","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl2 N O5 S -","- C23 H27 Cl2 N O5 S -","- C46 H54 Cl4 N2 O10 S2 -","2","1","","Flores, MariFe; García-García, Pilar; Garrido, Narciso M.; Marcos, Isidro S.; Sanz, Francisca; Díez, David","From isoxazolidines to tetrahydro-1,3-oxazines for the synthesis of chiral pyrrolidines","RSC Advances","2012","2","29","11040","","10.1039/c2ra22110a","","","1.54178","CuKα","","0.0403","0.0379","","","0.1017","0.1042","","","","","","1.039","","","","has coordinates","244335","2020-10-21","18:00:00",""
"7238763","36.82","0.005","36.82","0.005","45.036","0.009","90","","90","","120","","52876","15","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C120 H90 Co6.5 N3 O29 -","- C120 H88.3333 Co6.5 N3 O29 -","- C2160 H1590 Co117 N54 O522 -","18","1","","Yoon, Jung Hee; Kim, Dongwook; Song, Xiaokai; Han, Seungwan; Shin, Jiho; Hong, Suk Bong; Lah, Myoung Soo","Microporous metal‒organic framework containing cages with adjustable portal dimensions for adsorptive CO2 separation","RSC Advances","2012","2","30","11566","","10.1039/c2ra22118g","","","0.71073","MoKα","","0.0807","0.0645","","","0.1482","0.1542","","","","","","1.047","","","","has coordinates,has disorder","244337","2020-10-21","18:00:00",""
"7238766","10.7896","0.0012","11.7019","0.0013","11.8546","0.0014","107.733","0.002","96.492","0.002","116.338","0.002","1222.4","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H23 Au F3 O4 P S -","- C22 H23 Au F3 O4 P S -","- C44 H46 Au2 F6 O8 P2 S2 -","2","1","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","0.71073","MoKα","","0.0662","0.0557","","","0.1454","0.1532","","","","","","1.19","","","","has coordinates,has disorder","244339","2020-10-21","18:00:00",""
"7238767","20.4779","0.0015","20.4779","0.0015","34.934","0.003","90","","90","","90","","14649","2","133","2","133","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C74 H60 Au4 F6 O8 P4 S2 -","- C74 H60 Au4 F6 O8 P4 S2 -","- C592 H480 Au32 F48 O64 P32 S16 -","8","0.5","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","0.71073","MoKα","","0.0843","0.0547","","","0.1462","0.1713","","","","","","1.057","","","","has coordinates,has disorder","244339","2020-10-21","18:00:00",""
"7238768","11.7057","0.0009","13.5981","0.0011","23.7768","0.0019","81.71","0.001","82.215","0.001","73.729","0.001","3577.1","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H62 Au4 F6 O8 P4 S2 -","- C74 H62 Au4 F6 O8 P4 S2 -","- C148 H124 Au8 F12 O16 P8 S4 -","2","1","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","0.71073","MoKα","","0.0411","0.0313","","","0.0692","0.0727","","","","","","0.948","","","","has coordinates","244339","2020-10-21","18:00:00",""
"7238769","12.66","0.0013","14.4505","0.0015","16.2267","0.0017","64.226","0.002","81.66","0.002","89.732","0.002","2639.3","0.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H94 Au6 F6 O10 P6 S2 -","- C110 H94 Au6 F6 O10 P6 S2 -","- C110 H94 Au6 F6 O10 P6 S2 -","1","0.5","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","0.71073","MoKα","","0.0531","0.035","","","0.0843","0.1007","","","","","","0.994","","","","has coordinates","244339","2020-10-21","18:00:00",""
"7238770","12.7852","0.0016","14.6023","0.0019","16.363","0.002","64.009","0.003","81.587","0.003","88.896","0.003","2712.9","0.6","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C111 H92 Au6 Cl2 F6 O8 P6 S2 -","- C111 H92 Au6 Cl2 F6 O8 P6 S2 -","- C111 H92 Au6 Cl2 F6 O8 P6 S2 -","1","0.5","","Tang, Yu; Yu, Biao","Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions","RSC Advances","2012","2","33","12686","","10.1039/c2ra22282e","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","244339","2020-10-21","18:00:00",""
"7238774","12.9514","0.0004","14.2719","0.0005","25.9721","0.0009","87.967","0.003","86.878","0.003","67.322","0.003","4422.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H115 N8 O38 P S6 -","- C74 H83 N8 O38 P S6 -","- C148 H166 N16 O76 P2 S12 -","2","1","","Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu","The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand","RSC Advances","2012","2","33","12728","","10.1039/c2ra22423b","","","1.54178","CuKα","","0.0857","0.0641","","","0.1802","0.2017","","","","","","1.032","","","","has coordinates,has disorder","244343","2020-10-21","18:00:00",""
"7238775","13.3839","0.0007","22.0863","0.0013","11.7496","0.0005","90","","95.793","0.004","90","","3455.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H82 N6 O24 S6 -","- C70 H82 N6 O24 S6 -","- C140 H164 N12 O48 S12 -","2","0.5","","Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu","The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand","RSC Advances","2012","2","33","12728","","10.1039/c2ra22423b","","","1.54178","CuKα","","0.0751","0.0616","","","0.1648","0.181","","","","","","1.031","","","","has coordinates","244343","2020-10-21","18:00:00",""
"7238778","8.17","0.002","7.029","0.002","22.066","0.004","90","","97.99","0.02","90","","1254.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O6 S -","- C12 H14 O6 S -","- C48 H56 O24 S4 -","4","1","","Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos","Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene","RSC Advances","2012","2","32","12269","","10.1039/c2ra22502f","","","0.71073","MoKα","","0.119","0.0802","","","0.1921","0.2191","","","","","","0.994","","","","has coordinates","244346","2020-10-21","18:00:00",""
"7238779","9.33","0.005","9.624","0.005","12.48","0.005","70.661","0.005","73.733","0.005","63.117","0.005","931.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Br2 O2 S -","- C6 H8 Br2 O2 S -","- C24 H32 Br8 O8 S4 -","4","2","","Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos","Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene","RSC Advances","2012","2","32","12269","","10.1039/c2ra22502f","","","0.71073","MoKα","","0.0508","0.038","","","0.0714","0.0785","","","","","","0.966","","","","has coordinates","244346","2020-10-21","18:00:00",""
"7238780","14.7198","0.0007","19.2788","0.0009","20.2209","0.001","113.4","0.001","106.96","0.001","100.281","0.001","4745.7","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H116 Cu18 N41 O50 -","- C132 H116 Cu18 N41 O50 -","- C132 H116 Cu18 N41 O50 -","1","0.5","","Wu, Jin-Ji; Cao, Man-Li; Zhang, Jian-Yong; Ye, Bao-Hui","A nanocomposite gel based on 1D coordination polymers and nanoclusters reversibly gelate water upon heating","RSC Advances","2012","2","33","12718","","10.1039/c2ra22549b","","","0.71073","MoKα","","0.0561","0.045","","","0.1243","0.1307","","","","","","1","","","","has coordinates,has disorder","244347","2020-10-21","18:00:00",""
"7702890","8.6074","0.0019","8.6074","0.0019","32.612","0.007","90","","90","","90","","2416.1","0.9","100","2","100","","","","","","","","","7","P 41","P 4w","76","Rubim_Cl","Rubim_Cl","","- C21 H17 Cl F6 N7 P Ru -","- C21 H17 Cl F6 N7 P Ru -","- C84 H68 Cl4 F24 N28 P4 Ru4 -","4","1","","Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki","A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13081","13089","10.1039/c2dt30773a","","","0.71073","MoKα","","0.0367","0.0325","","","0.0654","0.067","","","","","","1.099","","","","has coordinates","244220","2020-10-21","18:00:00",""
"7702891","10.0573","0.0038","15.8424","0.006","16.3412","0.0066","90","","105.971","0.0051","90","","2503.2","1.7","153","2","153","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","data_Rubim_OH2_2","","- C21 H19 B2 F8 N7 O Ru -","- C21 H19 B2 F8 N7 O Ru -","- C84 H76 B8 F32 N28 O4 Ru4 -","4","1","","Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki","A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13081","13089","10.1039/c2dt30773a","","","0.71073","MoKα","","0.0689","0.0609","","","0.1484","0.154","","","","","","1.154","","","","has coordinates","244220","2020-10-21","18:00:00",""
"8103270","9.986","0.004","12.126","0.005","14.046","0.005","99.41","0.003","98.375","0.004","111.299","0.004","1523.9","1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27.28 Cl Co N8 O6.14 -","- C31.035 H27 Cl Co N8 O6.15 -","- C62.07 H54 Cl2 Co2 N16 O12.3 -","2","1","","Jun-Yan Cui; Yong Hou; Feng-Mei Nie","Crystal structure of [tris(2-benzimidazolylmethyl)amine-N,N',N'',N'''](2-aminobenzoato-O)cobalt(II) perchlorate — water (1:0.14), [Co(C24H21N7)(C7H6NO2)][ClO4] · 0.14H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","63","","","","","0.71073","MoKα","","0.053","0.0392","","","0.1004","0.1056","","","","","","1.078","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103271","31.63","0.03","9.6802","0.0011","24.65","0.002","90","","119.995","0.002","90","","6537","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H43.5 Br4 Cu2 N14.5 O2 P2 -","- C63 H43.5 Br4 Cu2 N14.5 O2 P2 -","- C252 H174 Br16 Cu8 N58 O8 P8 -","4","0.5","","Zhong-Feng Li; Ye-Lan Xiao; Qi-Ming Qiu; Man-Hua Wu; Qiong-Hua Jin; Cun-Lin Zhang","Crystal structure of (m-(bis(diphenylphosphino)ethane dioxide-kO,O')bis([2,3-f]-pyrazino-[1,10]phenanthroline-2,3-dicarbonitrile-kN,N')bis(dibromido)dicopper(II) — acetonitrile (1:2.5), [Cu2(C26H24P2O2)(C16H6N6)2Br4] · 2.5CH3CN","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","24","","","","","0.71073","MoKα","","0.1181","0.056","","","0.1325","0.1643","","","","","","1.028","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103272","6.014","0.002","9.566","0.003","10.135","0.004","96.669","0.006","94.985","0.006","97.419","0.006","571.2","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H20 O4 -","- C11 H20 O4 -","- C22 H40 O8 -","2","1","","Lin Yuan; Jiang-Hua Shi; Min Zhang","Crystal structure of 3,3-dihydroxymethyl-1,6-dioxa-spiro[5.5]undecane, C11H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","35","","","","","0.71073","MoKα","","0.0741","0.0534","","","0.1567","0.1794","","","","","","1.064","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103273","7.292","0.0008","8.964","0.0011","9.51","0.0014","64.269","0.001","88.749","0.002","71.84","0.001","527.4","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Mn N4 O13 -","- C14 H24 Mn N4 O13 -","- C14 H24 Mn N4 O13 -","1","0.5","","Cheng-Jun Hao; Hui Xie; De-Yong Li","Crystal structure of diaquabis(2-ethyl-4-carboxylato-5-carboxy-1H-imidazole-k2N3,O4)manganese(II) — water (1:3), [Mn(H2O)2(C7H7N2O4)2] · 3H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","77","","","","","0.71073","MoKα","","0.0554","0.0469","","","0.131","0.1394","","","","","","1.033","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103274","7.1485","0.0008","8.8837","0.0009","9.3461","0.001","66.036","0.001","88.452","0.001","70.882","0.001","508.57","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Co N4 O12 -","- C14 H22 Co N4 O12 -","- C14 H22 Co N4 O12 -","1","0.5","","Xin-Yu Yang; Li-Yan Yang; Peng-Peng Lei; Jing Jing Shang","Crystal structure of diaquabis(hydrogen 2-ethyl-1H-imidazole-4,5-dicarboxylato-k2N,O)cobalt(II) dihydrate, Co(H2O)2(C7H7N2O4)2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","59","","","","","0.71073","MoKα","","0.0479","0.0452","","","0.1385","0.1419","","","","","","1.035","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103275","9.101","0.002","9.559","0.002","21.03","0.005","90","","93.879","0.003","90","","1825.3","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O12 -","- C38 H52 N2 O12 -","- C76 H104 N4 O24 -","2","1","","Xiao-Ling Wang; Bing-Rui Liu","Crystal structure of 1,1'-disinomenine tetrahydrate, C38H44N2O8 · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","93","","","","","0.71073","MoKα","","0.0474","0.0385","","","0.0846","0.0889","","","","","","1.002","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103276","9.5509","0.0019","12.774","0.003","13.357","0.003","64.42","0.03","86.81","0.03","71.66","0.03","1389.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 Br4 Hg2 N10 O2 -","- C54 H58 Br4 Hg2 N10 O2 -","- C54 H58 Br4 Hg2 N10 O2 -","1","0.5","","Jiyong Hu; Chunli Liao; Jin'an Zhao; Haipeng Zhao","Crystal structure of bis{dibromo[m-1-(3-((2-methyl-1H-benzimidazol-1-yl)methyl)benzyl)-2-methyl-1H-benzimidazole-k2N,N'']mercury(II)} — N,N-dimethylformamide (1:2), [HgBr2(C24H22N4)]2 · 2C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","69","","","","","0.71073","MoKα","","0.0603","0.0462","","","0.1108","0.1277","","","","","","0.947","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103277","10.4521","0.0006","19.9786","0.0011","19.3675","0.001","90","","102.325","0.001","90","","3951.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C42H58N4Ni","","","- C42 H58 N4 Ni -","- C42 H58 N4 Ni -","- C168 H232 N16 Ni4 -","4","1","","Yong Xiao; Jianjun Yi; Baichun Zhu; Pengjuan Zhao; Haijun Hao","Crystal structure of bis[(N-2,6-di-i-propylphenyl)-5-t-butylpyrrol-2-methylenimine-k2N,N']nickel(II), Ni(C21H29N2)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","37","","","","","0.71073","MoKα","","0.0614","0.0438","","","0.1089","0.1192","","","","","","1.035","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103278","23.109","0.006","15.246","0.004","17.005","0.004","90","","90","","90","","5991","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Iodo-bis(1,10-phenanthroline)-copper(II) iodo-(<i>μ</i>~2~-iodo)-copper(I) hemi-octasulfur","","- C24 H16 Cu2 I3 N4 S4 -","- C24 H16 Cu2 I3 N4 S4 -","- C192 H128 Cu16 I24 N32 S32 -","8","1","","Le-Qing Fan","Crystal structure of iodobis(1,10-phenanthroline-k2N,N')copper(II) iodo(m2-iodo)copper(I) — octasulfur (2:1), [CuI(C12N2H8)2]2[Cu2I4] · S8","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","79","","","","","0.71073","MoKα","","0.085","0.0772","","","0.218","0.2322","","","","","","1.069","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103279","4.8534","0.0003","12.4461","0.001","20.7341","0.0019","90","","90","","90","","1252.46","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N'-(5-chloro-2-hydroxybenzylidene)furan-2-carbohydrazide water","","- C12 H11 Cl N2 O4 -","- C12 H11 Cl N2 O4 -","- C48 H44 Cl4 N8 O16 -","4","1","","Hua-Dong Dong","Crystal structure of N'-(5-chloro-2-hydroxybenzylidene)furan-2-carbohydrazide monohydrate, C12H9ClN2O3 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","89","","","","","0.71073","MoKα","","0.083","0.0539","","","0.1083","0.1246","","","","","","1.029","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103280","10.2245","0.0014","10.2245","0.0014","14.369","0.003","90","","90","","90","","1502.1","0.4","293","2","293","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","Lu(BTC)H2O","","","- C4.5 H2.5 Lu0.5 O3.5 -","- C4.5 H1.5 Lu0.5 O3.5 -","- C36 H12 Lu4 O28 -","8","1","","Zhongyue Li; Kun Liu","Crystal structure of aqua(benzene-1,3,5-tricarboxylato)lutetium(III), Lu(H2O)(C9H3O6)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","91","","","","","0.71073","MoKα","","0.0407","0.0361","","","0.1193","0.1254","","","","","","0.548","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103281","7.7703","0.0018","13.761","0.003","16.008","0.004","90","","90","","90","","1711.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Lu-Tai Pan; Qi-Ji Li; Ya-Hua Liu; Jing-Jie Zhang; Qi-Long Zhang","Crystal structure of 2,16-dien-1,15-dion-6,7-seco-7,20-olide-ent-kaur-6-al, C20H22O5","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","81","","","","","0.71073","MoKα","","0.0494","0.0407","","","0.0866","0.0908","","","","","","1.073","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103282","7.4438","0.0017","14.026","0.003","17.298","0.004","90","","90","","90","","1806","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Lu-Tai Pan; Qi-Ji Li; Jing-Jie Zhang; Ya-Hua Liu; Qi-Long Zhang","Crystal structure of 1-oxo-6,15-dihydroxy-6,7-seco-ent-kaura-2,16-dien-7,20-olide monohydrate, C20H26O5 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","83","","","","","0.71073","MoKα","","0.0389","0.0355","","","0.0833","0.0857","","","","","","1.032","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103283","8.8792","0.0007","8.8792","0.0007","14.391","0.002","90","","90","","90","","1134.6","0.2","296","2","296","2","","","","","","","","3","P 43","P 4cw","78","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Zhao-Hao Li; Li-Ping Xue","Crystal structure of 2-o-tolyl-1H-benzo[d]imidazole, C14H12N2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","71","","","","","0.71073","MoKα","","0.0649","0.0374","","","0.0775","0.0875","","","","","","1.003","","","","has coordinates","183086","2020-10-21","18:00:00",""
"8103284","14.157","0.0012","9.1855","0.0008","17.0533","0.0014","90","","92.039","0.002","90","","2216.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Phenylpyridinium tetrachloro[2-(2-pyridyl)phenyl-κ^2^N,C]platinate(IV) - water (1:1)","","- C22 H20 Cl4 N2 O Pt -","- C22 H20 Cl4 N2 O Pt -","- C88 H80 Cl16 N8 O4 Pt4 -","4","1","","Kwang Ha","Crystal structure of 2-phenylpyridinium tetrachloro[2-(2-pyridyl)phenyl-k2N,C]platinate(IV) monohydrate, [C11H10N][PtCl4(C11H8N)] · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","29","","","","","0.71073","MoKα","","0.0752","0.0373","","","0.0656","0.0864","","","","","","1.066","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103285","7.2602","0.0006","8.0823","0.0007","10.637","0.0009","78.774","0.002","70.177","0.002","79.724","0.002","571.66","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(quinolinium) hexachloroplatinate(IV) - water (1:2)","","- C18 H20 Cl6 N2 O2 Pt -","- C18 H20 Cl6 N2 O2 Pt -","- C18 H20 Cl6 N2 O2 Pt -","1","0.5","","Kwang Ha","Crystal structure of bis(quinolinium) hexachloroplatinate(IV) dihydrate, [C9H8N]2[PtCl6] · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","31","","","","","0.71073","MoKα","","0.0458","0.0416","","","0.0935","0.1056","","","","","","1.151","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103286","15.2832","0.0017","8.8951","0.0007","19.931","0.002","90","","93.745","0.001","90","","2703.7","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-(ethylenedioxy)benzene bis(methylimino-3,3'-acetophenone)dioxime","","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","- C128 H120 N16 O16 -","4","0.5","","Wen-Kui Dong; Shou-Ting Zhang; Yin-Xia Sun; Min Liu; Yu-Jie Zhang; Xiong-Hou Gao","Crystal structure of 3,3'-[2,2'-(1,2-ethylenedioxy)dibenzylmethylimino]bis(acetophenone oxime), C32H30N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","99","","","","","0.71073","MoKα","","0.0907","0.0481","","","0.1117","0.1412","","","","","","1.032","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103287","7.1019","0.0012","13.082","0.002","25.333","0.005","90","","90","","90","","2353.6","0.7","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","","Fei-Wen Zhao; Feng Zhang","Crystal structure of 2-[(2-bromophenylimino)methyl]-4-chlorophenol, C13H9BrClNO","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","53","","","","","0.71073","MoKα","","0.032","0.025","","","0.0555","0.0581","","","","","","1","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103288","10.2037","0.0008","10.9334","0.001","17.1915","0.0017","90","","91.703","0.001","90","","1917.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl4 Cu2 N2 O10 -","- C34 H30 Cl4 Cu2 N2 O10 -","- C68 H60 Cl8 Cu4 N4 O20 -","2","0.5","","De-Zhong Niu; Chang-Fu Shan; Xin Min; Fan Gao","Crystal structure of tetrakis(m-2-chlorobenzoato-O:O')bis(dimethylformamid)dicopper(II), Cu2(C3H7NO)2(C7H4ClO2)4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","55","","","","","0.71073","MoKα","","0.055","0.0344","","","0.0797","0.0945","","","","","","1.077","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103289","6.9826","0.0017","9.271","0.003","24.155","0.008","90","","90","","90","","1563.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,Z)-3-hydroxy-3,6-dimethyl-2-(3-methylbutylidene)-3,3a,7,7a- tetrahydrobenzofuran-4(2H)-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Hubiao Fang; Lei Chen; Nianyu Huang; Junzhi Wang; Zhaojiang Liao","Crystal structure of (3S,Z)-3-hydroxy-3,6-dimethyl-2-(3-methylbutylidene)-3,3a,7,7a-tetrahydrobenzofuran-4(2H)-one, C15H22O3","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","87","","","","","0.71073","MoKα","","0.1033","0.0894","","","0.26","0.2848","","","","","","1.013","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103290","19.471","0.002","10.564","0.001","21.295","0.003","90","","100.343","0.011","90","","4309","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Hg I2 N4 -","- C19 H20 Hg I2 N4 -","- C152 H160 Hg8 I16 N32 -","8","1","","Bo Xiao","Crystal structure of tetraiodobis[m-(1,1'-(1,5-pentanediyl)-bis-1H-benzimidazole)]dimercury(II), [HgI2(C19H20N4)]2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","57","","","","","0.71073","MoKα","","0.0577","0.041","","","0.0784","0.0866","","","","","","1.044","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103291","7.222","0.003","9.429","0.004","10.814","0.004","77.275","0.008","74.195","0.008","80.075","0.007","686.2","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(7,8-benzoquinolinium) hexachloroplatinate(IV) - water (1:2)","","- C26 H24 Cl6 N2 O2 Pt -","- C26 H24 Cl6 N2 O2 Pt -","- C26 H24 Cl6 N2 O2 Pt -","1","0.5","","Kwang Ha","Crystal structure of bis(benzo[h]quinolinium) hexachloroplatinate(IV) dihydrate, [C13H10N]2[PtCl6] · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","33","","","","","0.71073","MoKα","","0.0399","0.0355","","","0.0656","0.0747","","","","","","1.15","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103292","15.329","0.003","13.598","0.002","21.674","0.004","90","","109.345","0.001","90","","4262.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Mo8 N3 Na O34 -","- C18 H22 Mo8 N3 Na O34 -","- C72 H88 Mo32 N12 Na4 O136 -","4","1","","Guang-Rui Yang; Wen-Hang Zhai; Bing-Tao Liu","Crystal structure of tris(4-carboxypyridinium) diaquasodium b-octamolybdate, [C6H6NO2]3[Na(H2O)2(Mo8O26)]","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","47","","","","","0.71073","MoKα","","0.0436","0.0375","","","0.091","0.095","","","","","","1.068","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103293","13.9041","0.0016","14.221","0.002","14.6213","0.0012","90","","90","","90","","2891.1","0.6","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","triethylamine benzoate salt","","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C104 H168 N8 O32 -","8","1","","Mijit Alimjan; Jin-Ling Li; Zi-Wei Gao; Xiao-Li Ding","Crystal structure of triethylammonium 3,5-dihydroxybenzoate, [C6H16N][C7H5O4]","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","39","","","","","0.71073","MoKα","","0.0851","0.0544","","","0.0886","0.0933","","","","","","1.053","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103294","7.7699","0.0015","5.7057","0.0011","12.719","0.002","90","","101.316","0.003","90","","552.91","0.17","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C22 H28 O10 -","2","1","","Peng Liu; Hai-Bo Wang; Ping-An Wang; Xue-Ying Liu; Xiang-Yang Qin","Crystal structure of (2R,3S)-methyl 2,3-dihydroxy-3-(4-methoxyphenyl)propanoate, C11H14O5","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","27","","","","","0.71073","MoKα","","0.0262","0.0259","","","0.0696","0.0699","","","","","","1.037","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103295","9.5382","0.0015","11.2574","0.0018","14.446","0.002","98.669","0.002","104.433","0.002","104.77","0.002","1414","0.4","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cu N4 O10 S2 -","- C24 H26 Cu N4 O10 S2 -","- C48 H52 Cu2 N8 O20 S4 -","2","1","","Xiu-Ju Yin; Miao Ou-Yang","Crystal structure of diaquabis{4-[(2-pyridylmethylidene)amino]benzenesulfonato-k2N,N']copper(II) dihydrate, Cu(C12H9N2O3S)2(H2O)2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","66","","","","","0.71073","MoKα","","0.0411","0.0341","","","0.0965","0.0986","","","","","","1.041","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103296","12.915","0.003","11.515","0.002","24.758","0.005","90","","92.12","0.03","90","","3679.4","1.3","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[bis(benzo-15-crown-5)ammonium] [silver(I)-di-μ-sulfido-tungstate(VI)(Ag-W)-di-μ-sulfido]]","","- C28 H40 Ag N O10 S4 W -","- C28 H40 Ag N O10 S4 W -","- C112 H160 Ag4 N4 O40 S16 W4 -","4","1","","Yuan Cao; Guosheng Cheng; Guozhu Shen","Crystal structure of catena-{[bis(benzo-15-crown-5)ammonium][silver(I)-tetrakis(m-sulfido)tungstate(VI)], [(C14H20O5)2(NH4)][AgWS4]","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","50","","","","","0.71073","MoKα","","0.0742","0.059","","","0.1518","0.1642","","","","","","0.983","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103297","25.3007","0.0012","51.746","0.002","4.5806","0.0002","90","","90","","90","","5997","0.5","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H11 Br Cl N O2 -","- C16 H11 Br Cl N O2 -","- C256 H176 Br16 Cl16 N16 O32 -","16","1","","Wanxi Peng; Fengjuan Wu; Lansheng Wang; Qiu Xu","Crystal structure of 3-(4-bromophenyl)-4-(4-chlorophenylamino)furan-2(5H)-one, C16H11BrClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","61","","","","","0.71073","MoKα","","0.0592","0.0311","","","0.0587","0.0658","","","","","","0.945","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103298","7.1451","0.0002","8.5754","0.0003","14.0997","0.0006","73.547","0.002","80.983","0.002","75.553","0.002","798.89","0.05","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H23 N2 O3 P Se -","- C11 H23 N2 O3 P Se -","- C22 H46 N4 O6 P2 Se2 -","2","1","","Carmen Froschauer; Klaus Wurst; Gerhard Laus; Hedda K. Weber; Herwig Schottenberger","Crystal structure of 1-butyl-2,3-dimethylimidazolium O,Se-dimethyl selenophosphate, [C9H17N2][C2H6O3PSe], a new ionic liquid","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","21","","","","","0.71073","MoKα","","0.0483","0.0395","","","0.0911","0.0956","","","","","","1.042","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103299","7.4741","0.0005","8.3215","0.0005","9.1618","0.0006","73.605","0.003","76.146","0.004","70.823","0.004","509.51","0.06","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Cl2 N6 O6 Pd -","- C14 H18 Cl2 N6 O6 Pd -","- C14 H18 Cl2 N6 O6 Pd -","1","0.5","","Gerhard Laus; Klaus Wurst; Herwig Schottenberger","Crystal structure of trans-dichlorobis[(E)-2-(1-methoxyimidazol-2-yl)-2-oxoacetaldehyde O-methyl oxime]palladium(II), PdCl2(C7H9N3O3)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","17","","","","","0.71073","MoKα","","0.0213","0.02","","","0.0474","0.0482","","","","","","1.092","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103300","10.2147","0.0011","10.3124","0.0011","14.9403","0.0017","108.576","0.001","95.653","0.001","105.324","0.001","1409.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N3 O8 S3 -","- C27 H25 N3 O8 S3 -","- C54 H50 N6 O16 S6 -","2","1","","Shao-Bin Miao; Lei Cao; Bao-Ming Ji","Crystal structure of 1-[bis(p-toluenesulfonyl)amino]-2-(p-toluenesulfonylamino)-3-nitrobenzene, C27H25N3O8S3","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","41","","","","","0.71073","MoKα","","0.0774","0.0462","","","0.1017","0.1176","","","","","","1.041","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103301","4.6719","0.0005","18.0917","0.0017","12.4084","0.0011","90","","93.914","0.001","90","","1046.34","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C44 H56 N4 O12 -","2","0.5","","Wen-Kui Dong; Sen-Hua Liu; Shou-Ting Zhang; Li Wang; Yu-Jie Zhang; Xiong-Hou Gao","Crystal structure of bis(2-hydroxy-3-ethoxybenzaldehyde) O,O'-(butane-1,4-diyl)dioxime, C22H28N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","15","","","","","0.71073","MoKα","","0.0896","0.044","","","0.0776","0.0864","","","","","","1.022","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103302","10.9025","0.0002","12.9499","0.0002","11.8235","0.0002","90","","106.648","0.0007","90","","1599.34","0.05","296.1","","296.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N5 O -","- C16 H19 N5 O -","- C64 H76 N20 O4 -","4","1","","Byung-Soon Kim; Shinya Matsumoto; Young-A Son","Crystal structure of (2Z)-2-amino-3-[(E)-4-(diethylamino)-2-methoxybenzylideneamino]-2-butenedinitrile, C16H19N5O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","19","","","","","1.54187","CuKα","","","0.0518","","","","0.08","","","","","","1.196","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103303","7.2901","0.0005","21.9411","0.0016","29.264","0.002","90","","92.829","0.002","90","","4675.2","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Phenylpyridinium pentachloro(3-phenylpyridine-κ<i>N</i>)platinate(IV) - water (1:1)","","- C22 H21 Cl5 N2 O Pt -","- C22 H21 Cl5 N2 O Pt -","- C176 H168 Cl40 N16 O8 Pt8 -","8","2","","Kwang Ha","Crystal structure of 3-phenylpyridinium pentachloro(3-phenylpyridine-kN)platinate(IV) hydrate, [C11H10N][PtCl5(C11H9N)] · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","12","","","","","0.71073","MoKα","","0.0807","0.0458","","","0.0839","0.0981","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103304","10.253","0.003","14.323","0.004","17.137","0.004","90","","124.293","0.012","90","","2079.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br Cd N4 O2 -","- C20 H21 Br Cd N4 O2 -","- C80 H84 Br4 Cd4 N16 O8 -","4","1","","Jian-Hua Qin; Xiang-Dong Han","Crystal structure of catena-(acetato-O,O')(bromo)[m-1,1'-(1,4-butanediyl)bis(benzimidazole)-N:N']cadmium(II), CdBr(C2H3O2)(C18H18N2)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","7","","","","","0.71073","MoKα","","0.0515","0.0321","","","0.0705","0.0794","","","","","","0.998","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103305","7.40227","0.000089","7.40227","0.000089","6.31436","0.00011","90","","90","","120","","299.633","0.007","","","297","2","","","","","","","","4","P -3","-P 3","147","Barium oxonitridophosphate","Barium oxonitridophosphate","","- Ba3 N8 O6 P6 -","- Ba3 N8 O6 P6 -","- Ba3 N8 O6 P6 -","1","0.166667","","Stefan J. Sedlmaier; Daniel Weber; Wolfgang Schnick","Crystal structure of barium oxonitridophosphate, Ba3P6O6N8","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","1","","","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.00825","","1.047","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103306","9.683","0.004","9.683","0.004","16.139","0.006","90","","90","","120","","1310.5","0.9","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- B H6 K Mn O11 P2 -","- B H6 K Mn O11 P2 -","- B6 H36 K6 Mn6 O66 P12 -","6","0.5","","Ming-Zhen Wang","Crystal structure of potassium diaquamanganese(II) borophosphate monohydrate, K[Mn(H2O)2(BP2O8)] · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","3","","","","","0.71073","MoKα","","0.0604","0.0566","","","0.1754","0.1817","","","","","","1.006","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103307","12.29","0.003","7.7777","0.0016","9.1004","0.0018","90","","101.16","0.03","90","","853.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Design of high-dimensional copper(II) malonate complexes with imidazole ligands","","- C12 H16 Cu N4 O10 -","- C12 H16 Cu N4 O10 -","- C24 H32 Cu2 N8 O20 -","2","0.5","","Hui Zhang; Yi-Min Feng","Crystal structure of copper(II)malonate — water — imidazole (1:2:2), Cu(C3H2O4) · 2H2O · 2C3H4N2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","237","","","","","0.71073","MoKα","","0.0285","0.0277","","","0.0771","0.0776","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103308","10.823","0.004","11.516","0.005","14.557","0.005","101.831","0.014","100.875","0.016","96.084","0.018","1724","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H43 Cd N3 O9 -","- C36 H41 Cd N3 O9 -","- C72 H82 Cd2 N6 O18 -","2","1","","Hong-Ye Bai; Jian-Fang Ma","Crystal structure of aqua(biphenylethene-4,4'-dicarboxylato-kO)-(1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacyclo- heptadecane-k4N,N',N'',O8)cadmium(II)] — water (1:2), Cd(H2O)(C16H10O4)(C20H27N3O2) · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","271","","","","","0.71069","MoKα","","0.0473","0.0378","","","0.0923","0.0992","","","","","","0.999","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103309","10.147","0.002","17.955","0.004","17.301","0.003","90","","125.705","0.009","90","","2559.6","0.9","276","2","276","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H90 Cu4 N8 O37 -","- C112 H90 Cu4 N8 O37 -","- C112 H90 Cu4 N8 O37 -","1","0.25","","Xi-Ying Hu; Jian-Xu Wang; Wen-Wen Shan","Crystal structure of tetra[(2,6-dicarboxylato-2',6'-dicarboxy-1,1'-biphenyl)-(6,6'-dimethyl-2,2'-bipyridine)copper(II)] pentahydrate, [Cu(C16H8O8)(C12H12N2)]4 · 5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","227","","","","","0.71073","MoKα","","0.1016","0.0588","","","0.1235","0.137","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"8103310","6.056","0.005","8.123","0.005","30.747","0.005","90","0.005","90","0.005","90","0.005","1512.5","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","not measured","aqua-(5-(4-carboxybenzyloxy)isophthalato)Barium(II)","","- C16 H10 Ba O8 -","- C16 H10 Ba O8 -","- C64 H40 Ba4 O32 -","4","1","","Jing Li; Jian-Fang Ma","Crystal structure of aqua(5-(4-carboxybenzyloxy)isophthalato)barium(II), Ba(H2O)(C16H10O7)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","277","","","","","0.71069","MoKα","","0.0292","0.0266","","","0.0575","0.0581","","","","","","1.03","","","","has coordinates","201369","2020-10-21","18:00:00",""
"8103311","7.4065","0.0015","9.41","0.0019","9.6691","0.0019","81.61","0.03","75.99","0.02","77.98","0.03","636.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis[1-(carboxylatomethyl)-1,3-benzimidazol-3-ium-3-acetato] zinc(II) monohydrate","","- C22 H28 N4 O13 Zn -","- C22 H28 N4 O13 Zn -","- C22 H28 N4 O13 Zn -","1","0.5","","Yang Shen; Duan Qiu","Crystal structure of tetraaquabis(1,3-benzimidazol-3-ium-1,3-diacetato)zinc(II) monohydrate, Zn(C11H9N2O4)2(H2O)4 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","121","","","","","0.71073","MoKα","","0.0332","0.03108","","","0.09107","0.094","","","","","","1.014","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103312","6.27","0.0013","6.41","0.0013","8.97","0.0018","69.6","0.03","73.99","0.03","61.6","0.03","294.58","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H7 Cs N8 S2 -","- C4 H7 Cs N8 S2 -","- C4 H7 Cs N8 S2 -","1","0.5","","Shijun Chen","Crystal structure of catena-(m4-1-methyl-1H-1,2,3,4-tetrazole-5-thiolato)cesium(I), Cs(C2H3.5N4S)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","213","","","","","0.71073","MoKα","","0.0273","0.0272","","","0.1061","0.1062","","","","","","0.999","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103313","6.5808","0.0012","12.609","0.003","12.765","0.002","81.731","0.003","85.688","0.003","87.024","0.003","1044.3","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","1,4-diazoniabicyclo[2.2.2]octane 3,3'-dicarboxy-biphenyl-4,4'-dicarboxylate dihydrate","","- C22 H26 N2 O10 -","- C22 H26 N2 O10 -","- C44 H52 N4 O20 -","2","1","","Weiming Xiao; Chao Chen; Bin Sun; Ning Zhang","Crystal structure of 1,4-diazoniabicyclo[2.2.2]octane 3,3'-dicarboxybiphenyl-4,4'-dicarboxylate dihydrate, [C6H14N2][C16H8O8] · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","151","","","","","0.71073","MoKα","","0.0751","0.0541","","","0.1332","0.1486","","","","","","1.043","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103314","3.8512","0.0006","11.4011","0.0018","11.5587","0.0018","111.337","0.002","96.29","0.002","98.626","0.002","459.9","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H9 Cl Cu N2 O4 -","- C6 H9 Cl Cu N2 O4 -","- C12 H18 Cl2 Cu2 N4 O8 -","2","1","","Hai-Jun Qiao; Zhi-Gang Tang; Min Yang","Crystal structure of catena-aqua(m-chlorido)-(2-carboxylato-5-methylpyrazine-k2N,O)copper(II) monohydrate, CuCl(H2O)(C6H6N2O2) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","207","","","","","0.71073","MoKα","","0.0424","0.0375","","","0.0983","0.1035","","","","","","1.071","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103315","7.0767","0.0005","12.0722","0.0008","12.6814","0.0008","81.813","0.001","89.79","0.001","76.45","0.001","1042","0.12","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Hg2 N12 O4 S4 -","- C34 H38 Hg2 N12 O4 S4 -","- C34 H38 Hg2 N12 O4 S4 -","1","0.5","","Shu-Fang Lou; Qing Wang; Jie Ding","Crystal structure of bis{[4,4,5,5-tetramethyl-2-(1-methyl-1H-benzimidazol-2-yl)-4,5-dihydroimidazole-1-oxyl- 3-oxide-k2N,O]-(m2-thiocyanato-N:S)(thiocyanato-kS)mercury(II)}, Hg2(C15H19N4O2)2(SCN)4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","105","","","","","0.71073","MoKα","","0.0216","0.0198","","","0.0499","0.0507","","","","","","1.042","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103316","7.954","0.004","10.79","0.005","16.864","0.008","90","","101.666","0.005","90","","1417.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Co N10 O10 -","- C22 H34 Co N10 O10 -","- C44 H68 Co2 N20 O20 -","2","0.5","","Hui-Jie Zhu; Hong-Qiang Wang; Le-Jun Shi","Crystal structure of bis(2-(2-methylimidazol)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl-3-oxide-k2N,O)cobalt(II) dinitrate, [Co(C11H17N4O2)2][NO3]2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","239","","","","","0.71073","MoKα","","0.0897","0.074","","","0.201","0.2206","","","","","","1.025","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103317","28.1346","0.0014","10.6395","0.0003","26.3965","0.0014","90","","120.72","0.007","90","","6792.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H36 N7 Ni O7 -","- C35 H24 N7 Ni O7 -","- C280 H192 N56 Ni8 O56 -","8","1","","Chun Chen; Jian-Fang Ma","Crystal structure of bis{aquabis[2-(1H-benzimidazol-2-yl)benzoato-k2N,O]hemi(m-1,10-bis(1,2,4-triazol-1-yl)decane- N:N')nickel(II)} — water (1:4), Ni2(C14H24N6) (C14H9N2O2)4(H2O)2 · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","274","","","","","0.71073","MoKα","","0.0768","0.0446","","","0.1109","0.1156","","","","","","0.954","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103318","20.674","0.002","8.1642","0.0008","10.4029","0.0009","90","","100.268","0.001","90","","1727.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Yu-Jie Zhang; Shou-Ting Zhang; Jiao Wang; Guo-Hua Liu; Gang Wang; Xiong-Hou Gao","Crystal structure of 2,2'-(1,2-ethylenedioxy)bisbenzaldehyde O,O'-dimethyldioxime, C18H20N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","119","","","","","0.71073","MoKα","","0.1241","0.0504","","","0.1278","0.1835","","","","","","1.095","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103319","10.7831","0.0011","14.6259","0.0013","9.7936","0.0007","90","","116.877","0.001","90","","1377.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","","Lan-Qin Chai; Yu-Li Zhang; Kai Cui; Zai-Rui Wang; Li-Wen Zhang; Yong-Ze Zhang","Crystal structure of 2-(3,5-dichloro-2-hydroxyphenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide, C15H12Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","153","","","","","0.71073","MoKα","","0.0531","0.0349","","","0.0843","0.0985","","","","","","1.064","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103320","15.7226","0.0016","13.9648","0.0014","6.1959","0.0004","90","","96.096","0.001","90","","1352.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","","Li Zhao; Xu-Tao Dong; Shou-Ting Zhang; Qian Chen","Crystal structure of 1-(4-{[(E)-5-bromo-2-hydroxybenzylidene]amino}phenyl)ethanone oxime, C15H13BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","101","","","","","0.71073","MoKα","","0.0751","0.039","","","0.0766","0.0892","","","","","","1.02","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103321","19.3728","0.0008","13.9007","0.0006","23.522","0.001","90","","90","","90","","6334.4","0.5","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H31 Cl0 N5 O9 Sr -","- C32 H31 N5 O9 Sr -","- C256 H248 N40 O72 Sr8 -","8","1","","Ren-Yun Kuang; Hong-Mei Chen; Xiao-Chun Zhou","Crystal structure of tetraaqua(5-aminoisophtalato-kO)-(1,10-phenanthroline-k2N,N')strontium(II) — 1,10-phenanthroline — water (1:1:1), Sr(C8H5NO4)(C12H8N2)(H2O)4 · C12H8N2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","155","","","","","0.71073","MoKα","","0.0729","0.0343","","","0.0772","0.0879","","","","","","1.022","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103322","12.7835","0.0013","13.507","0.0014","15.7852","0.0016","71.024","0.001","87.263","0.002","64.291","0.001","2308.3","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 Fe N9 O10 -","- C43 H35 Fe N9 O10 -","- C86 H70 Fe2 N18 O20 -","2","1","","Miao-Ling Huang","Crystal structure of tris(1,10-phenanthroline-k2N,N')iron(II) dinitrate — 4-aminobenzoic acid — water (1:1:2), [Fe(C12H8N2)3][NO3]2 · C7H7NO2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","110","","","","","0.71073","MoKα","","0.0881","0.0603","","","0.1362","0.1424","","","","","","1.017","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103323","5.8138","0.0006","11.4314","0.001","17.158","0.002","90","","90","","90","","1140.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(phenylthio)indene","","- C15 H12 S -","- C15 H12 S -","- C60 H48 S4 -","4","1","","Owen J. Curnow; Kazumi Tsuruta","Crystal structure of 3-(phenylthio)indene, C15H12S","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","127","","","","","0.71073","MoKα","","0.0496","0.0414","","","0.1003","0.1147","","","","","","1.254","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103324","17.8251","0.0017","7.3268","0.0007","21.182","0.002","90","","92.902","0.001","90","","2762.8","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 N18 O8 Zn -","- C52 H64 N18 O8 Zn -","- C104 H128 N36 O16 Zn2 -","2","0.5","","Fu-Yu Wang; Shu-Fang Lou; Shi-Kun Hai","Crystal structure of catena-bis(m-dicyanamido)-bis[2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide-kN)- zinc(II) — 2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (1:2), Zn(C12H16N3O2)2(C2N3)2 · 2C52H64N18O8","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","107","","","","","0.71073","MoKα","","0.0584","0.0372","","","0.0821","0.093","","","","","","1.019","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103325","8.694","0.001","10.978","0.0012","14.248","0.016","96.086","0.001","106.347","0.002","99.085","0.001","1272.2","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 F12 N6 P2 -","- C20 H18 F12 N6 P2 -","- C40 H36 F24 N12 P4 -","2","1","","Shaojin Gu","Crystal structure of 3,3'-(1,10-phenanthroline-2,9-diyl)-bis(1-methyl-1H-imidazol-3-ium) bishexafluorophosphate, (C20H18N6)(PF6)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","143","","","","","0.71073","MoKα","","0.1772","0.0687","","","0.1278","0.1571","","","","","","1.047","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103326","10.1377","0.0002","21.345","0.0003","13.2198","0.0003","90","","106.555","0.0007","90","","2742.05","0.09","193","","193","2","","","","","","","Local laboratory","4","P 1 21 1","P 2yb","4","","","","- C50 H89 Na O17 -","- C50 H89 Na O17 -","- C100 H178 Na2 O34 -","2","1","","Viktors Kumpinš; Sergey Belyakov; Erika Bizdena; Maris Turks","Crystal structure of methanolsodium dianemycin — methanol (1:2), Na(C47H77O14)(CH4O) · 2CH4O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","145","","","","","0.71073","MoKα","","0.0701","0.0584","","","0.1549","0.1657","","","","","","1.053","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103327","5.2239","0.0004","14.5728","0.0013","29.272","0.002","90","","92.714","0.001","90","","2225.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Yin-Xia Sun; Guo-Hua Liu; Jiao Wang; Sen-Hua Liu; Gang Wang","Crystal structure of bis(3-ethoxy-4-hydroxybenzaldehyde) O,O'-(butane-1,4-diyl)dioxime, C22H28N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","123","","","","","0.71073","MoKα","","0.1389","0.0603","","","0.1143","0.1362","","","","","","1.022","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103328","10.204","0.006","14.888","0.009","10.75","0.006","90","","95.081","0.006","90","","1626.7","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Fang Huang; Feng Zhang; Hongmei Xu","Crystal structure of spiro[(indane-1,3-dione)-2,3'-(2'-methyl-2'-methyloxycarbonyl-hexahydro-1'H-pyrrolizine)], C18H19NO4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","225","","","","","0.71073","MoKα","","0.1459","0.0891","","","0.1967","0.226","","","","","","1.053","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103329","7.5748","0.0003","13.4983","0.0005","20.5241","0.0007","90","","92.585","0.003","90","","2096.39","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Co N2 O9 -","- C20 H20 Co N2 O9 -","- C80 H80 Co4 N8 O36 -","4","1","","Bo Xiao","Crystal structure of triaqua(4-hydroxyphthalato-kO)(1,10-phenanthroline-k2N,N')cobalt(II) hydrate, Co(H2O)3(C8H4O5)(C12H8N2) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","125","","","","","0.71073","MoKα","","0.043","0.0341","","","0.0847","0.0893","","","","","","1.074","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103330","7.5426","0.0002","13.3693","0.0004","20.7286","0.0007","90","","92.02","0.003","90","","2088.96","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 Ni O9 -","- C20 H20 N2 Ni O9 -","- C80 H80 N8 Ni4 O36 -","4","1","","Bo Xiao","Crystal structure of triaqua(4-hydroxyphthalato-kO)(1,10-phenanthroline-k2N,N')]nickel(II) hydrate, Ni(H2O)3(C8H4O5)(C12H8N2) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","115","","","","","0.71073","MoKα","","0.0453","0.033","","","0.0762","0.0819","","","","","","1.039","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103331","38.387","0.005","8.6881","0.001","11.6559","0.0014","90","","94.692","0.002","90","","3874.3","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 N4 Ni2 O10 S2 -","- C40 H36 N4 Ni2 O10 S2 -","- C160 H144 N16 Ni8 O40 S8 -","4","0.5","","Yu-Min Yang; Xin-Xiang Cao; Teng-Teng Lv; Ya Song","Crystal structure of diaquabis[m-3-(4-carboxylatophenyl)propionato]bis(m-4,4'-thiodipyridine)dinickel(II), Ni2(H2O)2(C10H8O4)2(C10H8N2S)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","129","","","","","0.71073","MoKα","","0.0718","0.0466","","","0.1348","0.1551","","","","","","0.999","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103332","6.5367","0.0004","7.4475","0.0005","11.7459","0.0007","90","","90.288","0.005","90","","571.81","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C26 H22 N2 O6 -","2","1","","Min-Dong Chen; Bo Xiao; Xuan Gong","Crystal structure of N-propynoyl-(5R)-5-phenylmorpholin-2-one, C13H11NO3","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","103","","","","","0.71073","MoKα","","0.0259","0.024","","","0.0592","0.0607","","","","","","1.028","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103333","6.5399","0.0004","6.7787","0.0004","25.943","0.003","90","","90","","90","","1150.11","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Min-Dong Chen; Junfeng Wang; Bo Xiao; Xuan Gong","Crystal structure of N-propynoyl-(5R)-3-methyl-5-phenylmorpholin-2-one, C14H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","199","","","","","0.71073","MoKα","","0.0454","0.0443","","","0.1324","0.1332","","","","","","1.068","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103334","20.423","0.004","12.0232","0.0019","16.219","0.003","90","","94.18","0.019","90","","3972","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C160 H152 Cu8 N16 O68 -","- C160 H152 Cu8 N16 O68 -","- C160 H152 Cu8 N16 O68 -","1","0.125","","Bo Xiao","Crystal structure of diaquabis(m-4-hydroxyphthalato-k2O,O')bis(1,10-phenanthroline-k2N,N')dicopper(II) pentahydrate, [Cu(H2O)(C12H8N2)(C8H4O5)]2 · 5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","149","","","","","0.71073","MoKα","","0.0912","0.0562","","","0.1162","0.1405","","","","","","1.036","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103335","13.549","0.0015","9.8711","0.0007","20.4828","0.0019","90","","100.876","0.01","90","","2690.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cu N2 O4 -","- C15 H11 Cu N2 O4 -","- C120 H88 Cu8 N16 O32 -","8","1","","Bo Xiao","Crystal structure of m2-oxalato-bis[(acetato)(1,10-phenanthroline-k2N,N')copper(II)], Cu2(C2H3O2)2(C2O4)(C12H8N2)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","181","","","","","0.71073","MoKα","","0.1118","0.0455","","","0.0478","0.051","","","","","","1.024","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103336","5.0091","0.0012","8.1296","0.0018","9.55","0.002","74.444","0.018","84.718","0.018","88.887","0.019","373.05","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Co N4 O12 -","- C10 H14 Co N4 O12 -","- C10 H14 Co N4 O12 -","1","0.5","","Bo Xiao","Crystal structure of diaquabis(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato-k2O,O')cobalt(II) dihydrate, Co(C5H3N2O4)2(H2O)2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","161","","","","","0.71073","MoKα","","0.0802","0.0588","","","0.1436","0.1577","","","","","","1.042","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103337","7.1117","0.0003","11.2113","0.0004","18.3804","0.0007","78.982","0.002","85.788","0.002","73.619","0.002","1379.79","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 Na2 O23 Zn2 -","- C18 H28 Na2 O23 Zn2 -","- C36 H56 Na4 O46 Zn4 -","2","1","","Kai-Sheng Diao; Long Li; Yu-Qiu Ding; Xian-Hong Yin","Crystal structure of catena-octakisaquabis(m5-1,3,5-benzenetricarboxylato)dizinc(II)disodium — water (1:3), Na2Zn2(C9H3O6)2(H2O)8 · 3H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","137","","","","","0.71073","MoKα","","0.0281","0.0239","","","0.0678","0.0705","","","","","","1.06","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103338","8.408","0.006","9.842","0.007","15.154","0.011","108.369","0.008","101.227","0.009","96.479","0.008","1146.7","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N4 O8 S -","- C22 H20 N4 O8 S -","- C44 H40 N8 O16 S2 -","2","1","","Lue Li; Fa-Yan Meng; Li Wang; Zhou-Feng Huang; Shui-Qiang Wei; Cui-Wu Lin","Crystal structure of 3,4-bis(acetyloxy)-N-{4-[(6-methoxy-4-pyrimidinyl)aminosulfonyl]phenyl}benzamide, C22H20N4O8S","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","131","","","","","0.71073","MoKα","","0.0489","0.0424","","","0.1213","0.1304","","","","","","1.097","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103339","12.0032","0.0013","9.1488","0.001","19.634","0.002","90","","90","","90","","2156.1","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H11 N O4 S2 -","- C8 H11 N O4 S2 -","- C64 H88 N8 O32 S16 -","8","1","","Ai-Guo Zhong","Crystal structure of S-1-[(carboxymethyl)sulfanyl]-N-(2-oxotetrahydro-3-thienyl)acetamide, C8H11NO4S2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","255","","","","","0.71073","MoKα","","0.0722","0.0438","","","0.1035","0.1152","","","","","","1.089","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103340","8.9125","0.0013","19.29","0.003","11.15","0.0016","90","","97.992","0.002","90","","1898.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Mn N2 O5 -","- C21 H16 Mn N2 O5 -","- C84 H64 Mn4 N8 O20 -","4","1","","Xiao-Ling Li; Ke-Qiang Wang","Crystal structure of bis{aqua[m-2-(2-carboxylatophenyl)acetato-k3O1:O3,O4](1,10-phenanthroline-k2N,N')manganese(II)}, [Mn(C9H6O4)(C12H8N2)(H2O)]2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","135","","","","","0.71073","MoKα","","0.0715","0.0398","","","0.0833","0.0965","","","","","","1.022","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103341","10.122","0.005","10.806","0.004","13.723","0.005","79.153","0.002","78.796","0.004","86.392","0.002","1445.5","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 Co N8 O28 Sm2 -","- C56 H48 Co N8 O28 Sm2 -","- C56 H48 Co N8 O28 Sm2 -","1","0.5","","Chun-Hua Zhang; Xiong-Wen Tan; Man-Sheng Chen","Crystal structure of catena-tetraaqua-1k2O,2k2O-bis[m3-5-(isonicotinamido)isophthalato-1k4O,O':O'',O''',2kN]- bis[m3-5-(isonicotinamido)isophthalato-1k3O,O':O'',2kO''']cobalt(II)disamarium(III) tetrahydrate, CoSm2(C14H8N2O5)4(H2O)4 · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","211","","","","","0.71069","MoKα","","0.0429","0.0397","","","0.1064","0.1085","","","","","","1.056","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103342","8.02","0.0008","9.3672","0.001","10.5894","0.0011","75.775","0.009","76.767","0.009","80.645","0.009","745.88","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis((1-aminophenyl)ethanone-3-N-(3,5-dibromo-2-hydroxybenzal dehyde))-copper(II)","","- C30 H18 Br4 Cu N2 O4 -","- C15 H9 Br2 Cu0.5 N O2 -","- C30 H18 Br4 Cu N2 O4 -","2","1","","Rui-Li Fu; Jian-Fang Ma","Crystal structure of bis{1-[3-(2-hydroxy-3,5-dibromobenzylideneamino)phenyl]ethanone-k2N,O}copper(II), Cu(C15H9Br2NO2)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","279","","","","","0.71073","MoKα","","0.0897","0.0654","","","0.1756","0.1943","","","","","","0.969","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103343","12.7062","0.0014","8.729","0.0009","15.085","0.0016","90","","99.904","0.001","90","","1648.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O2 S3 -","- C18 H14 O2 S3 -","- C72 H56 O8 S12 -","4","1","","Xiaochuan Li; Yunfeng Xu; Young-A Son","Crystal structure of 2,3-bis(3-methylthiophen-2-yl)benzothiophene 1,1-dioxide, C18H14O2S3","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","233","","","","","0.71073","MoKα","","0.0484","0.0407","","","0.114","0.1209","","","","","","1.047","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103344","8.73445","0.00016","14.1564","0.0003","13.9178","0.0003","90","","93.3807","0.0007","90","","1717.92","0.06","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N5 O -","- C17 H21 N5 O -","- C68 H84 N20 O4 -","4","1","","Byung-Soon Kim; Shinya Matsumoto; Young-A Son","Crystal structure of (Z)-2-amino-3-[(E)-4-(diethylamino)-2-ethoxybenzylideneamino]-2-butenedinitrile, C17H21N5O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","223","","","","","1.54187","CuKα","","","0.0755","","","","0.0991","","","","","","1.06","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103345","9.275","0.005","9.751","0.005","11.434","0.005","72.931","0.005","80.267","0.005","64.018","0.005","887.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-(μ~2~-5-hydroxy-benzene-1,3-dicarboxylato-O,O^,^)-(μ~2~-1,1^,^-(1,4-butyl)bis(imidazole)) ‒cobalt(II)","","- C18 H18 Co N4 O5 -","- C18 H18 Co N4 O5 -","- C36 H36 Co2 N8 O10 -","2","1","","Rui-Li Fu; Jian-Fang Ma","Crystal structure of catena-(m2-5-hydroxybenzene-1,3-dicarboxylato)-(m2-1,1'-(1,4-butyl)bis(imidazole))-cobalt(II), Co(C8H4O5)(C10H14N4)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","281","","","","","0.71069","MoKα","","0.0319","0.0268","","","0.0708","0.0721","","","","","","1.086","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103346","21.659","0.0004","11.0123","0.0003","16.923","0.0006","90","","90","","90","","4036.4","0.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H20 Cu N4 O7 -","- C18 H20 Cu N4 O7 -","- C144 H160 Cu8 N32 O56 -","8","1","","Daocheng Xia; Jingxia Ma; Xiuying Ma; Jihuan Yao; Xuqing Yang; Qingyang Liu","Crystal structure of catena-aqua(m-bis(2-(1-imidazolyl)ethyl)ether-N:N')(m-5-hydroxybenzene-1,3- dicarboxylato-O:O')copper(II), Cu(C8O5H4)(C10H14ON4)(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","241","","","","","0.71073","MoKα","","0.0785","0.0299","","","0.0478","0.0509","","","","","","0.719","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103347","13.329","0.0005","12.5385","0.0005","18.3604","0.0008","90","","103.007","0.004","90","","2989.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","monoaqua-tri(2-(2-pyridyl)benzimidazole) cobalt","","- C36 H26 Co N9 O -","- C36 H26 Co N9 O -","- C144 H104 Co4 N36 O4 -","4","1","","Daocheng Xia; Xiuying Ma; Jingxia Ma; Jihuan Yao; Xuqing Yang; Qingyang Liu","Crystal structure of tris(2-(2-pyridyl)benzimidazole)cobalt(III) monohydrate, Co(C12H8N3)3 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","243","","","","","0.71073","MoKα","","0.1044","0.0555","","","0.0963","0.1209","","","","","","1.046","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103348","6.886","0.005","7.359","0.005","22.779","0.005","90","0.005","94.518","0.005","90","0.005","1150.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(phthalato)(acetato)(hydroxo)-di-cadmium(II)","","- C10 H8 Cd2 N0 O7 -","- C10 H7 Cd2 O7 -","- C40 H28 Cd8 O28 -","4","1","","Daocheng Xia; Lifeng Liu; Xiuying Ma; Jingxia Ma; Jihuan Yao","Crystal structure of (m4-phthalato-O:O':O'':O''':O'''')(m3-acetato-O:O:O')(m-hydroxo)dicadmium(II), Cd2(C2H3O2)(C8H4O4)(OH)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","183","","","","","0.71069","MoKα","","0.0598","0.0416","","","0.0818","0.096","","","","","","1.075","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103349","7.8744","0.0003","10.9456","0.0005","25.9386","0.001","90","","94.129","0.003","90","","2229.85","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4'-(4-t-butylphenyl)-2,2':6',2''-terpyridyl)copper(II) dichloride","","- C25 H23 Cl2 Cu N3 O0 -","- C25 H23 Cl2 Cu N3 -","- C100 H92 Cl8 Cu4 N12 -","4","1","","Daocheng Xia; Lifeng Liu; Xiuying Ma; Jingxia Ma; Jihuan Yao","Crystal structure of dichloro(4'-(4-t-butylphenyl)-2,2':6',2''-terpyridyl)copper(II), CuCl2(C25H23N3)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","133","","","","","0.71073","MoKα","","0.0861","0.0533","","","0.1081","0.1198","","","","","","1.117","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103350","9.122","0.008","8.625","0.008","9.544","0.008","90","","105.968","0.019","90","","721.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Fe N2 O6 -","- C14 H16 Fe N2 O6 -","- C28 H32 Fe2 N4 O12 -","2","0.5","","Peng Gao; Zhong-Jing Huang; Li-Ying Nong; Xia-Min Tang; Gui-Yan Li","Crystal structure of catena-(trans-diaqua)-di(m-3-pyridinylacetato-k2N:O)iron(II), Fe(C7H6NO2)(H2O)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","201","","","","","0.71073","MoKα","","0.0677","0.0471","","","0.1186","0.1253","","","","","","0.981","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103351","12.3759","0.0015","9.249","0.0012","22.827","0.003","90","","90","","90","","2612.9","0.6","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H28 Cl4 Mn N4 O3 -","- C22 H28 Cl4 Mn N4 O3 -","- C88 H112 Cl16 Mn4 N16 O12 -","4","0.5","","Limei Wang; Xifeng Zhang; Wanyong Zeng; Zhiguo Liu; Lieju Liu","Crystal structure of bis(3,5-dichloro-N-2-(dimethylamino)ethylsalicylaldiminato-k3N,N',O)manganese(II) monohydrate, Mn(C11H13Cl2N2O)2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","261","","","","","0.71073","MoKα","","0.0472","0.0357","","","0.1042","0.1116","","","","","","1.008","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103352","9.911","0.004","13.316","0.005","19.908","0.008","73.054","0.007","76.083","0.007","81.981","0.007","2432.7","1.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br4 N2 O2 Zn -","- C20 H20 Br4 N2 O2 Zn -","- C80 H80 Br16 N8 O8 Zn4 -","4","2","","Mingxia Guo; Tifeng Shen; Yingjie Cai","Crystal structure of bis(3,5-dibromo-N-isopropylsalicylaldiminato-k2N,O)zinc(II), Zn(C10H10Br2NO)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","140","","","","","0.71073","MoKα","","0.1318","0.056","","","0.0793","0.0885","","","","","","1.009","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103353","9.9465","0.0006","13.3142","0.0008","19.9025","0.0012","73.035","0.001","76.02","0.001","81.725","0.001","2438.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br4 Co N2 O2 -","- C20 H20 Br4 Co N2 O2 -","- C80 H80 Br16 Co4 N8 O8 -","4","2","","Xuejun Long; Pan Zhou; Yingjie Cai","Crystal structure of bis(3,5-dibromo-N-isopropylsalicylaldiminato-k2N,O)cobalt(II), Co(C10H10Br2NO)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","193","","","","","0.71073","MoKα","","0.136","0.0629","","","0.0962","0.1084","","","","","","1.019","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103354","7.327","0.0015","11.465","0.002","15.565","0.003","85.35","0.03","83.5","0.03","88.2","0.03","1294.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 Cl Cu N O6 -","- C11 H12 Cl Cu N O6 -","- C44 H48 Cl4 Cu4 N4 O24 -","4","2","","Xuefan Gu","Crystal structure of bis[aqua(2-hydroxy-5-chlorobenzylamino-N,N-diacetato-k4N,O,O',O'')copper(II)], [Cu(C11H10ClNO5)(H2O)]2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","259","","","","","0.71073","MoKα","","0.0314","0.0281","","","0.0847","0.0871","","","","","","1.001","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103355","12.331","0.003","14.065","0.003","14.803","0.003","86.552","0.004","69.715","0.003","73.444","0.004","2306.2","0.9","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H64 Cl6 Mn3 N4 O18 -","- C104 H64 Cl6 Mn3 N4 O18 -","- C104 H64 Cl6 Mn3 N4 O18 -","1","0.5","","Xiu-Mei Li; Bo Liu; Qing-Wei Wang","Crystal structure of bis(2,2'-bipyridyl)-hexa[m-2-(4'-chlorobenzoyl)benzoato-k2O:O')trimanganese(II), Mn3(C10H8N2)2(C14H8O3Cl)6","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","158","","","","","0.71073","MoKα","","0.0721","0.043","","","0.0945","0.1089","","","","","","1.016","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103356","13.0365","0.0005","9.6142","0.0002","22.3704","0.0008","90","","106.08","0.0014","90","","2694.11","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O3 P2 -","- C28 H32 N4 O3 P2 -","- C112 H128 N16 O12 P8 -","4","1","","Mehrdad Pourayoubi; Hassan Fadaei; Atekeh Tarahhomi; Masood Parvez","Crystal structure of N,N',N'',N'''-tetrakis(4-methylphenyl)diphosphoric tetraamide, C28H32N4O3P2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","205","","","","","0.71073","MoKα","","0.177","0.107","","","0.1574","0.1872","","","","","","1.425","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103357","12.7998","0.0014","11.0971","0.0018","18.159","0.002","90","","90","","90","","2579.3","0.6","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Br Fe N -","- C15 H12 Br Fe N -","- C120 H96 Br8 Fe8 N8 -","8","1","","Ning Ma; Ye Wang; Hong-Mei Li; Zhi-Qiang Wang; Chen Xu","Crystal structure of (5-bromo-2-pyridyl)ferrocene, C15H12BrFeN","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","165","","","","","0.71073","MoKα","","0.054","0.0386","","","0.0886","0.0974","","","","","","1.023","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103358","17.218","0.003","8.3969","0.0017","21.955","0.004","90","","90","","90","","3174.2","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl N4 O4 -","- C14 H19 Cl N4 O4 -","- C112 H152 Cl8 N32 O32 -","8","1","","Xiao-Liang Zhou; Hao Wang; Yan Wang; Pei-Ji Shi","Crystal structure of 1-(2-(diethylamino)ethyl)-5-nitro-1H-indazole-3-carboxylic acid hydrochloride, C14H18N4O4 · HCl","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","173","","","","","0.71073","MoKα","","0.0406","0.0373","","","0.093","0.0952","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103359","14.2031","0.0009","16.9331","0.0007","21.7111","0.0013","90","","106.513","0.005","90","","5006.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H30 Cl3 In N2 O1.5 -","- C19.5 H30 Cl3 In N2 O1.5 -","- C156 H240 Cl24 In8 N16 O12 -","8","2","","Anita Abedi; Ali Reza Safari; Vahid Amani","Crystal structure of trichloro(4,4'-di-tert-butyl-2,2'-bipyridine-k2N,N')(methanol-kO)indium(III) — methanol (1:0.5), InCl3(CH3OH)(C18H24N2) · 0.5CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","196","","","","","0.71073","MoKα","","0.0977","0.0615","","","0.1327","0.1472","","","","","","1.047","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103360","15.358","0.002","13.1056","0.0017","7.9322","0.0011","90","","98.144","0.002","90","","1580.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Xiao-Rong Li; Shan-Shan Huang; Chuan-Xun Li; Yun-Peng Diao; Hou-Li Zhang","Crystal structure of 3,5-dihydroxy-N'-(1-naphthyl-methyl)benzohydrazide monohydrate, C18H14N2O3 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","167","","","","","0.71073","MoKα","","0.0772","0.046","","","0.1394","0.1691","","","","","","1.069","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103361","7.2641","0.0009","16.3533","0.0019","14.6158","0.0017","90","","102.514","0.002","90","","1695","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 O4 -","- C18 H16 Cl2 O4 -","- C72 H64 Cl8 O16 -","4","1","","Jian-Zhang Wu; Xin Jiang; Cheng-Guang Zhao; Xiao-Kun Li; Shu-Lin Yang","Crystal structure of (E)-3-(2,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, C18H16Cl2O4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","215","","","","","0.71073","MoKα","","0.0516","0.0424","","","0.1188","0.1258","","","","","","1.028","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103362","7.6036","0.0004","10.152","0.0007","10.479","0.0008","102.272","0.003","108.689","0.003","96.463","0.003","734.33","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(2-chlorophenyl)-vinyl]-6,6-dimethyl-2-oxo-1,2,5,6-tetrahydropyridine -3-carbonitrile","","- C16 H15 Cl N2 O -","- C16 H15 Cl N2 O -","- C32 H30 Cl2 N4 O2 -","2","1","","Sergey Belyakov; Daina Jansone; Edgars Abele; Mendel Fleisher","Crystal structure of 4-[2-(2-chlorophenyl)vinyl]-6,6-dimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile, C16H15ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","175","","","","","0.71073","MoKα","","0.1194","0.0604","","","0.1451","0.176","","","","","","0.987","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103363","20.195","0.002","5.1601","0.0004","8.3019","0.0007","90","","100.775","0.001","90","","849.87","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","","Wen-Kui Dong; Jiao Wang; Lan-Qin Chai; Li Zhao; Yu-Hua Yang; Li Wang; Jia Zhang","Crystal structure of bis(4-hydroxybenzaldehyde) O,O'-(butane-1,4-diyl)dioxime, C18H20N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","171","","","","","0.71073","MoKα","","0.0754","0.0443","","","0.1128","0.1378","","","","","","1.042","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103364","9.787","0.005","14.999","0.005","17.342","0.005","74.973","0.005","87.124","0.005","87.609","0.005","2454.5","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72.56 Hg N2 O6.28 S4 -","- C42 H72.568 Hg N2 O6.284 S4 -","- C84 H145.136 Hg2 N4 O12.568 S8 -","2","1","","Xi-Man Zhang; Ping Li; Hai Wang; Hong-Yu Chen","Crystal structure of bis(tetrabutylammonium) bis(1,2,3-trioxocyclopent-4-ene-4,5-dithiolato-S,S')mercury(II) — water (1:0.28), [N(C4H9)4]2[Hg(C5O3S2)2] · 0.28H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","230","","","","","0.71069","MoKα","","0.0779","0.0361","","","0.0673","0.0725","","","","","","1.006","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"8103365","8.0781","0.0011","16.109","0.002","10.6222","0.0013","90","","102.001","0.002","90","","1352.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C56 H52 N12 O16 -","4","1","","Jian-Guo Wang; Ying-Quan Zou","Crystal structure of 2,4-dinitro-N,N-ethylphenylaniline, C14H13N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","177","","","","","0.71073","MoKα","","0.0506","0.0392","","","0.095","0.1011","","","","","","1.041","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103366","39.827","0.003","3.9297","0.0004","17.8945","0.0018","90","","90.108","0.001","90","","2800.6","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cl2 N2 O -","- C15 H12 Cl2 N2 O -","- C120 H96 Cl16 N16 O8 -","8","1","","Li Zhao; Xu-Tao Dong; Jia Zhang; Qian Cheng; Ji-Xing Zhao","Crystal structure of 1-{4-[(E)-2,4-dichlorobenzylideneamino]phenyl}ethanone oxime, C15H12Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","185","","","","","0.71073","MoKα","","0.0732","0.048","","","0.1043","0.1134","","","","","","1.052","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103367","12.6952","0.0014","9.3693","0.0013","13.8755","0.0018","90","","114.94","0.001","90","","1496.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br2 N2 O2 -","- C15 H12 Br2 N2 O2 -","- C60 H48 Br8 N8 O8 -","4","1","","Li Xu; Tian-Hao Zhao; Jiao Wang; Sen-Hua Liu; Guo-Hua Liu; Xi Fang","Crystal structure of 1-{3-[(E)-3,5-dibromo-2-hydroxybenzylideneamino]phenyl}ethanone oxime, C15H12Br2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","187","","","","","0.71073","MoKα","","0.0929","0.0578","","","0.1543","0.1745","","","","","","1.005","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103368","11.043","0.009","10.259","0.008","7.684","0.006","90","","102.617","0.009","90","","849.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Co N O6 -","- C7 H7 Co N O6 -","- C28 H28 Co4 N4 O24 -","4","1","","Yu Feng; Guo-Fu Wu; Tian-Tian Ren; Cai-Li Huang; Meng-Jie Huang","Crystal structure of diaqua(m3-pyridine-3,4-dicarboxylato-O,O'':O':N)cobalt(II), Co(C7H3NO4)(H2O)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","209","","","","","0.71073","MoKα","","0.0296","0.0262","","","0.0696","0.0714","","","","","","1.122","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103369","15.6635","0.0002","15.6635","0.0002","27.1833","0.0006","90","","90","","90","","6669.29","0.19","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C64 H52 N16 Na4 O20 -","- C64 H52 N16 Na4 O20 -","- C256 H208 N64 Na16 O80 -","4","0.25","","Hui Gao; Chen Xu; Lu-Meng Duan; Zhi-Qiang Wang; Yao-Ting Fan","Crystal structure of methanol[m-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-nitrobenzamide-k2N1,O1:kN2]sodium, Na(CH4O)(C15H9N4O4)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","189","","","","","0.71073","MoKα","","0.0564","0.0399","","","0.0968","0.1057","","","","","","1.023","","","","has coordinates","291193","2024-04-15","11:27:49",""
"8103370","13.4045","0.0014","20.349","0.002","12.0946","0.0013","90","","90","","90","","3299","0.6","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H17 Fe N3 -","- C20 H17 Fe N3 -","- C160 H136 Fe8 N24 -","8","1","","Su-Zhen Bai; Xin-Hua Lou; Lu-Meng Duan; Zhen Li","Crystal structure of N-(6-ferrocenylpyrimidin-4-yl)phenylamine, Fe(C5H5)(C15H12N3)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","179","","","","","0.71073","MoKα","","0.072","0.0413","","","0.0931","0.11","","","","","","1.033","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103371","7.9365","0.0002","10.1819","0.0003","23.2824","0.0005","86.036","0.002","88.575","0.002","83.484","0.002","1864.52","0.08","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H42 N3 O2.5 Ru -","- C43 H39 N3 O2.5 Ru -","- C86 H78 N6 O5 Ru2 -","2","1","","Barbara Enk; Holger Kopacka; Benno Bildstein; Klaus Wurst","Crystal structure of [(E)-2-(2-((2,6-dimethylphenylimino)-(phenyl)methyl)-h5-cyclopentadienylamino)-3H-phenoxazin- 3-one]-(h5-pentamethylcyclopentadienyl)ruthenium(II) — ethanol (1:0.5), Ru(C10H15)(C32H24N3O2) · 0.5C2H6O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","217","","","","","0.71073","MoKα","","0.0417","0.0339","","","0.0812","0.085","","","","","","1.095","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103372","23.707","0.003","9.1945","0.001","17.6282","0.0019","90","","106.035","0.001","90","","3693","0.7","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Cl Fe N3 O P Pd -","- C36 H33 Cl Fe N3 O P Pd -","- C144 H132 Cl4 Fe4 N12 O4 P4 Pd4 -","4","1","","Su-Zhen Bai; Xin-Hua Lou; Lu-Meng Duan; Zhen Li","Crystal structure of chloro(4-morpholinyl-pyrimidin-6-yl-ferrocenyl-k2C1,N1)(triphenylphosphine-kP)palladium(II), PdCl[Fe(C5H5)(C13H13N3O)][P(C6H5)3]","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","203","","","","","0.71073","MoKα","","0.038","0.0281","","","0.0702","0.0738","","","","","","1.034","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103373","12.66","0.006","10.09","0.005","14.706","0.007","90","","95.532","0.007","90","","1869.8","1.6","113","2","113","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H14 Cd0.5 Cl N4 Ni O2 -","- C22 H14 Cd0.5 Cl N4 Ni O2 -","- C88 H56 Cd2 Cl4 N16 Ni4 O8 -","4","1","","Dan Wang; Xiaojian Kong; Xiaozeng Li","Crystal structure of (dichloro-2k2Cl)bis[tribenzo-[d,h,l][3,7,10,14]-tetraaza[14]annulene- 1,2-diolato-1k4N,N',N'',N''':2k2O,O')cadmium(II)dinickel(II), CdCl2[Ni(C22H14N4O2)]2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","191","","","","","0.71073","MoKα","","0.0801","0.0546","","","0.0987","0.111","","","","","","1.003","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103374","9.47","0.002","9.754","0.002","10.458","0.002","64.773","0.002","67.786","0.002","62.736","0.002","756.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 O S2 -","- C18 H14 O S2 -","- C36 H28 O2 S4 -","2","1","","Xiaochuan Li; Yunfeng Xu; Young-A Son","Crystal structure of 2,3-bis(3-methylthiophen-2-yl)benzofuran, C18H14OS2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","235","","","","","0.71073","MoKα","","0.0628","0.0456","","","0.1197","0.1316","","","","","","1.039","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103375","8.9012","0.0007","10.8414","0.0009","11.8312","0.001","92.029","0.001","111.222","0.001","109.585","0.001","986.63","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(2-methoxylphenyl)-2- (1,2-dimethyl-3-indolyl)-3,3,4,4,5,5-hexafluoro- cyclopent-1-ene","","- C22 H17 F6 N O -","- C22 H17 F6 N O -","- C44 H34 F12 N2 O2 -","2","1","","Weijun Liu; Congbin Fan; Seik Weng Ng","Crystal structure of 1-(2-methoxyphenyl)-2-(1,2-dimethylindol-3-yl)-3,3,4,4,5,5-hexafluoro- cyclopent-1-ene, C22H17F6NO","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","263","","","","","0.71073","MoKα","","0.0773","0.0559","","","0.1573","0.1825","","","","","","1.02","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103376","9.1776","0.0018","16.938","0.003","18.819","0.004","90","","97.22","0.03","90","","2902.2","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cl6 Cu N4 O4 -","- C24 H20 Cl6 Cu N4 O4 -","- C96 H80 Cl24 Cu4 N16 O16 -","4","0.5","","Li-Min Li; Huan-Mei Guo; Yu-Feng Li; Zeng-Hui Zhang; Li Liu","Crystal structure of tetrapyridine-bis(trichloroacetato)copper(II), Cu(C2Cl3O2)2(C5H5N)4","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","257","","","","","0.71073","MoKα","","0.0645","0.0601","","","0.1647","0.1693","","","","","","1.1","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103377","7.352","0.005","7.88","0.006","10.978","0.008","78.294","0.008","73.39","0.007","81.909","0.007","594.5","0.7","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C28 H28 N4 -","2","1","","Xin-E Duan; Bin Jia; Hong-Bo Tong; Diansheng Liu","Crystal structure of (E)-phenylacetaldehyde phenylhydrazone, C14H14N2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","247","","","","","0.71073","MoKα","","0.0759","0.0442","","","0.111","0.1293","","","","","","0.991","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103378","7.6061","0.0006","9.4475","0.0008","21.6928","0.0017","90","","90","","90","","1558.8","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Br Cl2 N O2 -","- C16 H10 Br Cl2 N O2 -","- C64 H40 Br4 Cl8 N4 O8 -","4","1","","Wan-Xi Peng; Cui Le","Crystal structure of 3-(3-bromophenyl)-4-(3,5-dichlorophenylamino)furan-2(5H)-one, C16H10BrCl2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","267","","","","","0.71073","MoKα","","0.0819","0.0385","","","0.0788","0.0894","","","","","","0.986","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103379","8.5059","0.0014","6.0803","0.001","15.417","0.003","90","","99.745","0.002","90","","785.8","0.2","296","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-((benzhydrylimino)methyl)phenol","2-((benzhydrylimino)methyl)phenol","","- C20 H17 N O -","- C20 H17 N O -","- C40 H34 N2 O2 -","2","1","","Xiu-Guang Yi; Lu-Ping Zhong; Li-Qun Yan; Yun-Ling Hu; Zheng-Da Zou","Crystal structure of 2-((benzhydrylimino)methyl)phenol, C20H17NO","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","249","","","","","0.71073","MoKα","","0.0537","0.0446","","","0.1123","0.1273","","","","","","1.008","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103380","7.295","0.003","9.469","0.004","11.046","0.004","83.435","0.007","73.225","0.005","69.766","0.006","685.4","0.5","183","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-[m2-bis(biphenyl-2,2'-dicarboxylato-O:O')]-(m2-pyrazine-N:N')dicobalt(II)","","- C16 H10 Co N O4 -","- C16 H10 Co N O4 -","- C32 H20 Co2 N2 O8 -","2","1","","Songbai Han; Yuntao Liu","Crystal structure of catena-[m2-bis(biphenyl-2,2'-dicarboxylato-O:O')]-(m2-pyrazine-N:N')dicobalt(II), Co(C4H4N2)(C14H8O4)2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","269","","","","","0.71069","MoKα","","0.0937","0.0799","","","0.2142","0.2251","","","","","","1.044","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103381","36.495","0.003","8.5574","0.0004","20.487","0.004","90","","101.177","0.015","90","","6276.8","1.4","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","KN-93 phosphate salt methanolate","N-(2-{[[(2E)-3-(4-chlorophenyl)-2-propenyl](methyl)amino]methyl}phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide phosphate salt methanolate","","- C27 H36 Cl N2 O9 P S -","- C27 H36 Cl N2 O9 P S -","- C216 H288 Cl8 N16 O72 P8 S8 -","8","1","","Sabino Maggi; Giuseppe Chita; Claudio Bruno; Angelo Lovece; Giovanni Lentini","Crystal structure of N-(2-{[(2E)-3-(4-chlorophenyl)-2-propenyl]-(methyl)ammonio}methylphenyl)-N-(2-hydroxyethyl)- 4-methoxybenzenesulfonamide dihydrogen phosphate — methanol (1:1), [C26H30ClN2SO4][H2PO4] · CH4O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","220","","","","","0.71073","MoKα","","0.1221","0.0522","","","0.1021","0.1245","","","","","","1.017","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8104543","17.3522","0.0017","13.6891","0.0011","9.5605","0.0008","90","","101.638","0.001","90","","2224.3","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br4 N2 O5 S -","- C17 H14 Br4 N2 O5 S -","- C68 H56 Br16 N8 O20 S4 -","4","1","","Li, Jian","Crystal structure of benzothiazol-2-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate C~7~H~7~N~2~s~^+^.C~9~H~3~Br~4~O~4~^-^.CH~4~O~","Zeitschrift fur Kristallographie - NCS","2012","","","152","","","","","0.71073","MoKα","","0.1024","0.0439","","","0.0832","0.094","","","","","","1.043","","","","has coordinates","216973","2020-10-21","18:00:00",""
"9014009","15.9537","","15.9537","","7.1448","","90","","90","","120","","1574.87","","","","","","","","","","","","Konigsalm, Moldanubian nappes, Lower Austria","13","R 3 m :H","R 3 -2""","160","","","Foitite","- Al6.873 B3 F0.05 Fe1.188 H5.85 Li0.021 Mg0.819 Mn0.081 Na0.37 O30.95 Si5.958 Ti0.009 Zn0.009 -","- Al20.619 B9 F0.15 Fe3.564 H17.55 Li0.063 Mg2.457 Mn0.243 Na1.11 O92.85 Si17.874 Ti0.027 Zn0.027 -","- Al20.619 B9 F0.15 Fe3.564 H17.55 Li0.063 Mg2.457 Mn0.243 Na1.11 O92.85 Si17.874 Ti0.027 Zn0.027 -","","","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK3","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014011","12.24","","12.24","","4.843","","90","","90","","120","","628.359","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 6.63 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014015","12.627","","12.627","","5.136","","90","","90","","120","","709.179","","","","","","","","","","","","Vishnevye Mountains","7","P 63","P 6c","173","","","Cancrinite","- C0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18 -","- C0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18 -","- C1.7 H3.996 Al5.64 Ca1.02 Na6.98 O31.098 Si6.36 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# ggm44331","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014024","16.043","","16.043","","7.247","","90","","90","","120","","1615.33","","","","","","","","","","","","Blocherleitengraben, Lower Austria","9","R 3 m :H","R 3 -2""","160","","","Fluor-schorl","- Al5.451 B3 Ca0.062 F0.3 Fe3.549 H3.23 Na0.938 O30.7 Si6 -","- Al5.451 B3 Ca0.062 F0.3 Fe3.549 H3.23 Na0.938 O30.7 Si6 -","- Al16.353 B9 Ca0.186 F0.9 Fe10.647 H9.69 Na2.814 O92.1 Si18 -","3","0.166667","","Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.","Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2","American Mineralogist","2012","97","","1402","1416","10.2138/am.2012.4028","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014049","8.827","","12.683","","6.213","","90","","106.95","","90","","665.347","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.97 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014053","5.6551","","3.683","","27.1372","","90","","90","","90","","565.206","","","","","","","","","","","","the Bawana mine, Milford, Utah","4","P n 2 n","P -2n -2n","34","","","Whelanite","- Ca3 Cu0.92 O13 Si3 -","- Ca6 Cu1.84 O26 Si6 -","- Ca6 Cu1.84 O26 Si6 -","","","","Kampf, A. R.; Mills, S. J.; Merlino, S.; Pasero, M.; McDonald, A. M.; Wray, W. B.; Hindman, J. R.","Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from the Bawana mine, Milford, Utah Note: not all atoms could be located","American Mineralogist","2012","97","","2007","2015","10.2138/am.2012.4181","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014056","3.581","","3.581","","3.581","","90","","90","","90","","45.921","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 6.41 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014066","9.4553","","9.4553","","6.9825","","90","","90","","120","","540.62","","","","","","","","","","","","the Ilimaussaq alkaline complex, South Greenland","14","P -3","-P 3","147","","","Carlgieseckeite-(Nd)","- Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9 -","- Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9 -","- Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9 -","","","","Pekov, I. V.; Zubkova, N. V.; Husdal, T. A.; Kononkova, N. N.; Agakhanov, A. A.; Zadov, A. E.; Pushcharovsky, D. Y.","Carlgieseckeite-(Nd), NaNdCa3(PO4)3F, a new belovite-group mineral species from the Ilimaussaq alkaline complex, South Greenland","The Canadian Mineralogist","2012","50","","571","580","10.3749/canmin.50.2.571","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014067","4.629","","4.629","","12.88","","90","","90","","120","","239.013","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 63.9 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9014068","5.75","","5.75","","14.459","","90","","90","","120","","414.004","","","","","","","","","","","","Wigwam deposit of Southeastern British Columbia, Canada","9","P -3 m 1","-P 3 2""","164","","","Greenwoodite","- Al0.03 Ba0.6 Fe0.98 H0.4 Mg0.02 O11.4 Si0.86 V5.305 Zn0.11 -","- Al0.03 Ba0.6 Fe0.98 H0.4 Mg0.02 O11.4 Si0.86 V5.305 Zn0.11 -","- Al0.06 Ba1.2 Fe1.96 H0.8 Mg0.04 O22.8 Si1.72 V10.61 Zn0.22 -","2","0.166667","","Bartholomew, P. R.; Mancini, F.; Harlow, G. E.; Deifel, N.; Cahill, C.; Bernhardt, H. J.","Greenwoodite, a new nesosilicate from British Columbia with a Ba-VOH coupled substitution and tetrahedral Fe: description and structure","The Canadian Mineralogist","2012","50","","1233","1242","10.3749/canmin.50.5.1233","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014073","5.0672","","11.3545","","15.3941","","100.587","","90","","90","","870.63","","","","","","","","","","","","Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia","5","P 21/b 1 1","-P 2xab","14","","","Hydroxyledgrewite","- Ca9 F0.784 H1.2 O17.216 Si4 -","- Ca18 F1.568 H2.4 O34.432 Si8 -","- Ca18 F1.568 H2.4 O34.432 Si8 -","","","","Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S.","Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia","American Mineralogist","2012","97","","1998","2006","10.2138/am.2012.4161","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014092","16.3357","","24.2434","","11.7343","","90","","90","","90","","4647.17","","","","","","","","","","","","La Sal Mining District, Utah, USA","5","P c c n","-P 2ab 2ac","56","","","Postite","- Al2 H56 Mg O57 V10 -","- Al2 H56 Mg O57 V10 -","- Al8 H224 Mg4 O228 V40 -","4","0.5","","Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B.","Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy","The Canadian Mineralogist","2012","50","","45","53","10.3749/canmin.50.1.45","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014107","16.295","","13.009","","8.434","","90","","90","","90","","1787.85","","","","","","","","","","","","Mejillones, Antofagasta, Chile","5","P b c a","-P 2ac 2ab","61","","","Mejillonesite","- H7 Mg2 Na O11 P2 -","- H7 Mg2 Na O11 P2 -","- H56 Mg16 Na8 O88 P16 -","8","1","","Atencio, D.; Chukanov, N. V.; Nestola, F.; Witzke, T.; Coutinho, J. M. V.; Zadov, A. E.; Contreira, R. R.; Farber, G.","Mejillonesite, a new acid sodium, magnesium phosphate mineral, from Mejillones, Antofagasta, Chile","American Mineralogist","2012","97","","19","25","10.2138/am.2012.3867","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014108","8.1462","","8.1462","","8.1462","","90","","90","","90","","540.587","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.39 Mg1.001 O4 -","- Al12.872 Fe3.12 Mg8.008 O32 -","- Al12.872 Fe3.12 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 45 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014111","16.1124","","5.4917","","9.911","","90","","90","","90","","876.97","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 4.025 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014113","3.468","","3.468","","3.468","","90","","90","","90","","41.71","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 27.44 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014114","8.1699","","8.1699","","8.1699","","90","","90","","90","","545.318","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.539 Mg O4 -","- Al11.688 Fe4.312 Mg8 O32 -","- Al11.688 Fe4.312 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014116","11.0563","","7.56","","5.3637","","90","","90","","90","","448.328","","","","","","","","","","","","Upper Fir carbonatite, Kamloops mining division, British Columbia, Canada","14","P n m a","-P 2ac 2n","62","","","Nioboaeschynite-(Ce)","- Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02 -","- Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02 -","- Ca Ce1.392 Fe0.12 Gd0.04 La0.48 Nb4.56 Nd0.56 O24 Pr0.16 Sm0.08 Sr0.04 Th0.24 Ti3.44 Y0.08 -","4","0.5","","Morrison, S. M.; Downs, R. T.; Domanik, K. J.; Yang, H.; Doell, D.","Nioboaeschynite-(Ce), Ce(NbTi)O6","Acta Crystallographica, Section E","2012","68","8","i64","i65","10.1107/S1600536812031765","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014117","18.21","","8.82","","5.1767","","90","","90","","90","","831.441","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.00010(1) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014123","15.9291","","15.9291","","15.9291","","90","","90","","90","","4041.79","","","","","","","","","","","","Vesuvius, Naples, Italy","5","I -4 3 d","I -4bd 2c 3","220","","","Dansite-(Mn)","- Cl3 Mn0.508 Na21.492 O40 S10 -","- Cl12 Mn2.032 Na85.968 O160 S40 -","- Cl12 Mn2.032 Na85.968 O160 S40 -","","","","Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M.","D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles","Mineralogical Magazine","2012","76","","2773","2783","10.1180/minmag.2012.076.7.10","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014124","13.3801","","4.0007","","31.083","","90","","93.064","","90","","1661.49","","","","","","","","","","","","the scheelite deposit Felbertal, Salzburg Province, Austria","5","C 1 2/m 1","-C 2y","12","","","Cupromakopavonite","- Ag1.621 Bi9.379 Cu4 Pb2 S19 -","- Ag3.242 Bi18.758 Cu8 Pb4 S38 -","- Ag3.242 Bi18.758 Cu8 Pb4 S38 -","","","","Topa, D.; Makovicky, E.; Ilinca, G.; Dittrich, H.","Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal structure and the cupropavonite homologous series","The Canadian Mineralogist","2012","50","","295","312","10.3749/canmin.50.2.295","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014133","15.746","","15.746","","7.075","","90","","90","","120","","1519.14","","","","","","","","","","","","synthetic at 500 C","7","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.55 B3.906 H3 Li0.45 Na0.79 O31 Si5.094 -","- Al8.55 B3.906 H3 Li0.45 Na0.79 O31 Si5.094 -","- Al25.65 B11.718 H9 Li1.35 Na2.37 O93 Si15.282 -","3","0.166667","","Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R.","Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-9","American Mineralogist","2012","97","","1591","1597","10.2138/am.2012.4060","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014164","5.9753","","13.8186","","8.0461","","90","","90.826","","90","","664.3","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Ilesite","- H8 Mn O8 S -","- H8 Mn O8 S -","- H32 Mn4 O32 S4 -","4","1","","Anderson, J. L.; Peterson, R. C.; Swainson, I.","The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O","American Mineralogist","2012","97","","1905","1914","10.2138/am.2012.4121","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014165","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","- Al11.68 Fe4.312 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014192","15.918","","15.918","","7.26","","90","","90","","120","","1593.1","","","","","","","","","","","","Blocherleitengraben, Lower Austria","7","R 3 m :H","R 3 -2""","160","","","Fluor-schorl","- Al5.478 B3 Ca0.029 Fe3.522 Na0.971 O31 Si6 -","- Al16.434 B9 Ca0.087 Fe10.566 Na2.913 O93 Si18 -","- Al16.434 B9 Ca0.087 Fe10.566 Na2.913 O93 Si18 -","","","","Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.","Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h2, heated a second time in air at 750 C for 72 h","American Mineralogist","2012","97","","1402","1416","10.2138/am.2012.4028","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014195","8.0943","","8.0943","","8.0943","","90","","90","","90","","530.32","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Co0.59 Mg0.41 O4 -","- Al16 Co4.72 Mg3.28 O32 -","- Al16 Co4.72 Mg3.28 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl45","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014203","4.785","","4.785","","13.162","","90","","90","","120","","260.986","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 29.6 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9014205","14.6389","","6.9591","","17.052","","90","","102.568","","90","","1695.52","","","","","","","","","","","","West Sunday mine, Slick Rock district, San Miguel County, Colorado, USA","5","I 1 2/a 1","-I 2ya","15","","","Calciodelrioite","- Ca0.978 H8 O10 Sr0.022 V2 -","- Ca0.978 H8 O10 Sr0.022 V2 -","- Ca7.824 H64 O80 Sr0.176 V16 -","8","1","","Kampf, A. R.; Marty, J.; Nash, B. P.; Plasil, J.; Kasatkin, A. V.; Skoda, R.","Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4","Mineralogical Magazine","2012","76","","2803","2817","10.1180/minmag.2012.076.7.12","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014220","6.607","","11.7125","","20.6848","","90","","91.998","","90","","1599.71","","","","","","","","","","","","Penobsquis deposit, Sussex, New Brunswick, Canada","5","C 1 c 1","C -2yc","9","","","Veatchite","- B11 Ca0.62 H7 O22 Sr1.38 -","- B11 Ca0.62 H7 O22 Sr1.38 -","- B44 Ca2.48 H28 O88 Sr5.52 -","4","1","","Grice, J. D.; Pring, A.","Veatchite: structural relationships of the three polytypes Note: moderate-T, high-P polytype veatchite-2M","American Mineralogist","2012","97","","489","495","10.2138/am.2012.3889","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014226","8.171","","8.171","","8.171","","90","","90","","90","","545.539","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","- Al11.688 Fe4.304 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014227","6.6378","","6.7387","","20.982","","87.86","","82.696","","60.476","","809.684","","","","","","","","","","","","Emet deposit, Kutahya, Turkey","5","P -1","-P 1","2","","","Veatchite","- B11 Ca0.087 H7 O22 Sr1.913 -","- B11 Ca0.087 H7 O22 Sr1.913 -","- B22 Ca0.174 H14 O44 Sr3.826 -","2","1","","Grice, J. D.; Pring, A.","Veatchite: structural relationships of the three polytypes Note: low-T, low-P polytype veatchite-1A","American Mineralogist","2012","97","","489","495","10.2138/am.2012.3889","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014231","3.539","","3.539","","3.539","","90","","90","","90","","44.324","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 14.45 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014233","5.1131","","5.1898","","7.3303","","90","","90.03","","90","","194.517","","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","","","","- H6 Mg O6 Si -","- H12 Mg2 O12 Si2 -","- H12 Mg2 O12 Si2 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014240","20.5805","0.0017","10.324","0.0008","9.1053","0.0008","90","","90","","90","","1934.6","0.3","296","2","296","2","","","","","","","Ikizdere, Turkey","4","A m a 2","A 2 -2a","40","","","trabzonite","- Ca4 H2 O11 Si3 -","- Ca4 H2 O11 Si3 -","- Ca32 H16 O88 Si24 -","8","1","","Armbruster, T.; Lazic, B.; Galuskina, I. O.; Galuskin, E. V.; Gnos, E.; Marzec, K. M.; Gazeev, V. M.","Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite","Mineralogical Magazine","2012","76","3","455","472","10.1180/minmag.2012.076.3.02","","","0.71073","MoKα","","0.0724","0.0565","","","0.1366","0.1475","","","","","","1.01","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014243","2.87366","","9.694","","12.4116","","90","","90","","90","","345.753","","","","","","","","","","","","synthetic, P = 11.5 GPa, T = 1366 K","2","C m c m","-C 2c 2","63","","","","- Fe4 O5 -","- Fe16 O20 -","- Fe16 O20 -","","","","Woodland, A. B.; Frost, D. J.; Trots, D. M.; Klimm, K.; Mezouar, M.","In situ observation of the breakdown of magnetite (Fe3O4) to Fe4O5 and hematite at high pressures and temperatures","American Mineralogist","2012","97","","1808","1811","10.2138/am.2012.4270","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014245","15.5852","","15.5852","","11.7782","","90","","90","","90","","2860.91","","","","","","","","","","","","Langban,Sweden","9","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.636 As0.067 Bi0.06 Ca9.156 Cl0.064 Fe0.223 Mn0.864 O39 Si9 -","- Al22.544 As0.2672 Bi0.24 Ca36.624 Cl0.256 Fe0.8916 Mn3.4556 O156.04 Si36 -","- Al22.544 As0.2672 Bi0.24 Ca36.624 Cl0.256 Fe0.8916 Mn3.4556 O156.04 Si36 -","","","","Groat, L. A.; Evans, R. J.","Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 2","American Mineralogist","2012","97","","1627","1634","10.2138/am.2012.4091","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014250","21.554","","23.454","","8.079","","90","","100.76","","90","","4012.35","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","Boulangerite","- Pb10.159 S22 Sb7.841 -","- Pb40.636 S88 Sb31.364 -","- Pb40.636 S88 Sb31.364 -","","","","Kaden, R.; Wagner, G.; Bente, K.","Crystal chemistry and electrical conductivity of boulangerite, dadsonite and iodine-substituted pillaite grown by chemical vapor transport","The Canadian Mineralogist","2012","50","","219","233","10.3749/canmin.50.2.219","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014254","8.1469","","8.1469","","8.1469","","90","","90","","90","","540.726","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg1.002 O4 -","- Al12.872 Fe3.112 Mg8.016 O32 -","- Al12.872 Fe3.112 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014256","5.9144","","13.5665","","7.8924","","90","","90.688","","90","","633.222","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Boyleite","- H8 O8 S Zn -","- H8 O8 S Zn -","- H32 O32 S4 Zn4 -","4","1","","Anderson, J. L.; Peterson, R. C.; Swainson, I.","The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O","American Mineralogist","2012","97","","1905","1914","10.2138/am.2012.4121","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014261","4.737","","4.737","","13.071","","90","","90","","120","","254.007","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 39.7 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9014277","8.6744","","8.8692","","10.009","","72.105","","70.544","","76.035","","682.606","","","","","","","","","","","","White Canyon, Utah, USA","5","P -1","-P 1","2","","","Pseudojohannite","- Cu2.937 H26 O34 S2 U4 -","- Cu2.937 H26 O34 S2 U4 -","- Cu2.937 H26 O34 S2 U4 -","1","0.5","","Plasil, J.; Fejfarova, K.; Wallwork, K. S.; Dusek, M.; Skoda, R.; Sejkora, J.; Cejka, J.; Veselovsky, F.; Hlousek, J.; Meisser, N.; Brugger, J.","Crystal structure of pseudojohannite, with a revised formula, Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12","American Mineralogist","2012","97","","1796","1803","10.2138/am.2012.4127","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014285","3.514","","3.514","","3.514","","90","","90","","90","","43.392","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 18.69 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014287","3.544","","3.544","","3.544","","90","","90","","90","","44.512","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 11.48 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014291","8.148","","8.148","","8.148","","90","","90","","90","","540.945","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.388 Mg O4 -","- Al12.88 Fe3.104 Mg8 O32 -","- Al12.88 Fe3.104 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014292","4.7651","","10.3379","","6.0595","","90","","90","","90","","298.498","","","","","","","","","","","","Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China","5","P b n m","-P 2c 2ab","62","","","Sicklerite","- Fe0.195 Li0.748 Mn0.8 O4 P -","- Fe0.78 Li2.992 Mn3.2 O16 P4 -","- Fe0.78 Li2.992 Mn3.2 O16 P4 -","","","","Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F.","A structural study of the lithiophilite-sicklerite series Sample 5, deep orange","The Canadian Mineralogist","2012","50","","843","854","10.3749/canmin.50.4.843","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014293","6.9935","","6.9935","","17.5101","","90","","90","","90","","856.402","","","","","","","","","","","","Lake Boga Granite, Victoria, Australia","5","P 4/n c c :2","-P 4a 2ac","130","","","Metanatroautunite","- H6 Na O9 P U -","- H6 Na O9 P U -","- H24 Na4 O36 P4 U4 -","4","0.25","","Mills, S. J.; Kampf, A. R.; Birch, W. D.","The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, from the Lake Boga Granite, Victoria, Australia Note: z-coordinate of U changed from .40959 to match reported bond lengths","American Mineralogist","2012","97","","735","738","10.2138/am.2012.3866","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014301","5.0646","","5.0646","","13.2379","","90","","90","","120","","294.063","","","","","","","","","","","","Synthetic","5","P 63/m c m","-P 6c 2","193","","","Phase-X","- H0.5 K1.5 Mg2 O7 Si2 -","- H0.99996 K3 Mg4 O14 Si4 -","- H0.99996 K3 Mg4 O14 Si4 -","","","","Welch, M. D.; Konzett, J.; Bindi, L.; Kohn, S. C.; Frost, D. J.","New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx","American Mineralogist","2012","97","","1849","1857","10.2138/am.2012.4164","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014304","10.657","0.003","5.887","0.001","7.228","0.002","90","","95.035","0.008","90","","451.7","0.2","323","","323","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu6 H12 O22 V4 -","2","0.25","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0413","","","","0.1223","","","","","","1.407","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014318","10.8475","","9.9364","","7.1488","","90","","108.392","","90","","731.175","","","","","","","","","","","","the nepheline syenites of the Los Archipelago, Guinea","8","P 1 21/a 1","-P 2yab","14","","","Lavenite","- Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733 -","- Ca3.28 F5 Mn3.16 Na4.72 O31 Si8 Ti1.908 Zr2.932 -","- Ca3.28 F5 Mn3.16 Na4.72 O31 Si8 Ti1.908 Zr2.932 -","","","","Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.","Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea","The Canadian Mineralogist","2012","50","","593","609","10.3749/canmin.50.3.593","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014324","12.1724","","3.755","","6.4957","","90","","107.67","","90","","282.894","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","","- Al0.875 Cr0.125 Nb O4 -","- Al3.5 Cr0.5 Nb4 O16 -","- Al3.5 Cr0.5 Nb4 O16 -","","","","Ardit, M.; Dondi, M.; Cruciani, G.","Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N12","American Mineralogist","2012","97","","910","917","10.2138/am.2012.3977","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014334","8.1472","","8.1472","","8.1472","","90","","90","","90","","540.786","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg O4 -","- Al12.88 Fe3.12 Mg8 O32 -","- Al12.88 Fe3.12 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 9 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014339","8.0857","","8.0857","","8.0857","","90","","90","","90","","528.631","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu0.69 Mg0.31 O4 -","- Al16 Cu5.52 Mg2.48 O32 -","- Al16 Cu5.52 Mg2.48 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dw","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014354","4.734","","10.423","","6.094","","90","","90","","90","","300.693","","","","","","","","","","","","Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China","5","P b n m","-P 2c 2ab","62","","","Lithiophilite","- Fe0.183 Li0.86 Mn0.8 O4 P -","- Fe0.732 Li3.44 Mn3.2 O16 P4 -","- Fe0.732 Li3.44 Mn3.2 O16 P4 -","","","","Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F.","A structural study of the lithiophilite-sicklerite series Sample 2, light yellow","The Canadian Mineralogist","2012","50","","843","854","10.3749/canmin.50.4.843","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014356","12.3404","","12.3404","","12.3404","","90","","90","","90","","1879.26","","","","","","","","","","","","Montaldo mine, Italy","7","I a -3 d","-I 4bd 2c 3","230","","","Berzeliite","- As2.874 Ca2.01 Mg1.758 Mn0.242 Na0.99 O12 V0.126 -","- As2.874 Ca2.01 Mg1.758 Mn0.242 Na0.99 O12 V0.126 -","- As22.992 Ca16.08 Mg14.064 Mn1.936 Na7.92 O96 V1.008 -","8","0.0833333","","Nagashima, M.; Armbruster, T.","Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures","Mineralogical Magazine","2012","76","","1081","1097","10.1180/minmag.2012.076.5.02","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9014368","15.883","","15.883","","7.1093","","90","","90","","120","","1553.18","","","","","","","","","","","","Maigen, Moldanubian nappes, Lower Austria","14","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.922 B6.15 Ca0.01 F0.26 Fe1.338 H8.22 K0.01 Li0.42 Mn0.798 Na0.56 O42.74 Si5.568 Ti0.018 Zn0.06 -","- Al8.922 B6.15 Ca0.01 F0.26 Fe1.338 H8.22 K0.01 Li0.42 Mn0.798 Na0.56 O42.74 Si5.568 Ti0.018 Zn0.06 -","- Al26.766 B18.45 Ca0.03 F0.78 Fe4.014 H24.66 K0.03 Li1.26 Mn2.394 Na1.68 O128.22 Si16.704 Ti0.054 Zn0.18 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MAG","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014375","5.3868","","11.9141","","11.7171","","112.978","","94.641","","103.189","","661.831","","","","","","","","","","","","Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan","17","P -1","-P 1","2","","","Tarbagataite","- Ca0.62 Cs0.04 F0.35 Fe3.15 H4.65 K0.76 Mg0.18 Mn2.96 Na0.5 Nb0.3 O30.65 Rb0.18 Si8 Sn0.12 Ti1.58 Zn0.01 Zr0.01 -","- Ca0.62 Cs0.04 F0.35 Fe3.15 H4 K0.76 Mg0.18 Mn2.96 Na0.5 Nb0.3 O30.65 Rb0.18 Si8 Sn0.12 Ti1.58 Zn0.01 Zr0.01 -","- Ca0.62 Cs0.04 F0.35 Fe3.15 H4 K0.76 Mg0.18 Mn2.96 Na0.5 Nb0.3 O30.65 Rb0.18 Si8 Sn0.12 Ti1.58 Zn0.01 Zr0.01 -","1","0.5","","Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Sokolova, E.; Hawthorne, F. C.; Dobrovol'skaya, E. A.","Tarbagataite, (K,_)2(Ca,Na)(Fe2+,Mn)7Ti2(Si4O12)2O2(OH)4(OH,F), a new astrophyllite-group mineral species from the Verkhnee Espe Deposit, Akjailyautas Mountains, Kazakhstan: Description and crystal structure","The Canadian Mineralogist","2012","50","","159","168","10.3749/canmin.50.1.159","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:52",""
"9014382","12.0966","","12.0966","","13.9555","","90","","90","","120","","1768.49","","","","","","","","","","","","Salton Sea, California, USA","4","R -3 c :H","-R 3 2""c","167","","","Saltonseaite","- Cl6 K3 Mn Na -","- Cl36 K18 Mn6 Na6 -","- Cl36 K18 Mn6 Na6 -","","","","Kampf, A. R.; Mills, S. J.; Nestola, F.; Ciriotti, M. E.; Kasatkin, A. V.","Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California","American Mineralogist","2012","98","","231","235","10.2138/am.2013.4214","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014386","8.1701","","8.1701","","8.1701","","90","","90","","90","","545.359","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.54 Mg1.001 O4 -","- Al11.688 Fe4.32 Mg8.008 O32 -","- Al11.688 Fe4.32 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014388","6.643","","6.643","","9.766","","90","","90","","120","","373.229","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","- Ba2 O18 Si6 Ti2 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 0.0001 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014389","4.6901","","11.7874","","20.1872","","90","","90","","90","","1116.03","","","","","","","","","","","","west shore of Lake Uvildy in the Ilmen Mountains, southern Urals, Russia","6","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.668 As0.087 B O17.898 Sb0.022 Si2.89 -","- Al26.672 As0.3488 B4 O71.592 Sb0.0876 Si11.56 -","- Al26.672 As0.3488 B4 O71.592 Sb0.0876 Si11.56 -","","","","Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.","The crystal chemistry of As- and Sb-bearing dumortierite Sample: D27","The Canadian Mineralogist","2012","50","","855","872","10.3749/canmin.50.4.855","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014390","11.036","","11.036","","10.3845","","90","","90","","120","","1095.32","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","- C2 H60 Ca6 O50 S2 Si2 -","","","","Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D.","Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 22.5 K","American Mineralogist","2012","97","","1060","1069","10.2138/am.2012.4058","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014394","4.6871","","11.7901","","20.1825","","90","","90","","90","","1115.31","","","","","","","","","","","","Tonagh Island in Amundsen Bay, Enderby Land, East Antarctica","6","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.809 As0.099 B O17.876 Sb0.025 Si2.876 -","- Al27.236 As0.3968 B4 O71.5032 Sb0.0992 Si11.5032 -","- Al27.236 As0.3968 B4 O71.5032 Sb0.0992 Si11.5032 -","","","","Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.","The crystal chemistry of As- and Sb-bearing dumortierite Sample: D31","The Canadian Mineralogist","2012","50","","855","872","10.3749/canmin.50.4.855","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014404","2.696","","2.696","","5.147","","90","","90","","90","","37.411","","","","","","","","","","","","Luobusha, Tibet, China","2","P 4/m m m","-P 4 2","123","","","Linzhiite","- Fe Si2 -","- Fe Si2 -","- Fe Si2 -","","","","Li, G.; Bai, W.; Shi, N.; Fang, Q.; Xiong, M.; Yang, J.; Ma, Z.; Rong, H.","Linzhiite, FeSi2, a redefined and revalidated new mineral species from Luobusha, Tibet, China","European Journal of Mineralogy","2012","24","","1047","1052","10.1127/0935-1221/2012/0024-2237","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014409","8.1482","","8.1482","","8.1482","","90","","90","","90","","540.985","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.388 Mg1.001 O4 -","- Al12.872 Fe3.104 Mg8.008 O32 -","- Al12.872 Fe3.104 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014412","4.0341","","27.056","","9.5559","","90","","90","","90","","1042.99","","","","","","","","","","","","El Dragon mine, Potosi, Bolivia","3","P m c n","-P 2n 2a","62","","","Eldragonite","- Bi Cu6 Se6 -","- Bi4 Cu24 Se24 -","- Bi4 Cu24 Se24 -","","","","Paar, W. H.; Cooper, M. A.; Moelo, Y.; Stanley, C. J.; Putz, H.; Topa, D.; Roberts, A. C.; Stirling, J.; Raith, J. G.; Rowe, R.","Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine, Potosi, Bolivia, and its crystal structure","The Canadian Mineralogist","2012","50","","281","294","10.3749/canmin.50.2.281","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014418","8.084","","8.084","","8.084","","90","","90","","90","","528.298","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co0.11 Mg0.89 O4 -","- Al16 Co0.88 Mg7.12 O32 -","- Al16 Co0.88 Mg7.12 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl10","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014430","8.17","","8.17","","8.17","","90","","90","","90","","545.339","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.538 Mg1.001 O4 -","- Al11.68 Fe4.304 Mg8.008 O32 -","- Al11.68 Fe4.304 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014432","4.8645","","4.8645","","13.355","","90","","90","","120","","273.685","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 14.0 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9014440","12.606","","12.606","","5.118","","90","","90","","120","","704.345","","","","","","","","","","","","Kovdor","7","P 63","P 6c","173","","","Cancrinite","- C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33 -","- C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33 -","- C1.444 H3.996 Al5.34 Ca0.18 Na7.82 O30.33 Si6.66 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd5","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014447","17.916","","8.59","","5.0726","","90","","90","","90","","780.665","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.65(7) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014450","5.8448","","17.9749","","8.3771","","90","","90","","90","","880.096","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.38 Mg0.17 O4 Si0.45 -","- Fe28.5584 Mg2.042 O48 Si5.3996 -","- Fe28.5584 Mg2.042 O48 Si5.3996 -","","","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8v0095, Spinelloid-II","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014454","3.551","","3.551","","3.551","","90","","90","","90","","44.777","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 12.71 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014457","8.1465","","8.1465","","8.1465","","90","","90","","90","","540.646","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.389 Mg0.999 O4 -","- Al12.88 Fe3.112 Mg7.992 O32 -","- Al12.88 Fe3.112 Mg7.992 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 360 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014463","8.1279","","8.1279","","8.1279","","90","","90","","90","","536.951","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.88 O4 Si0.95 -","- Mg15.04 O32 Si7.6 -","- Mg15.04 O32 Si7.6 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 685 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014464","15.9461","","15.9461","","7.138","","90","","90","","120","","1571.87","","","","","","","","","","","","Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy","8","R 3 m :H","R 3 -2""","160","","","Tsilaisite","- Al6 B3 H3 Li1.152 Mn1.848 Na0.754 O31 Si6 -","- Al18.306 B9 H9 Li3.456 Mn5.544 Na2.262 O92.9997 Si18 -","- Al18.306 B9 H9 Li3.456 Mn5.544 Na2.262 O92.9997 Si18 -","","","","Bosi, F.; Skogby, H.; Agrosì G; Scandale, E.","Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the split atom model","American Mineralogist","2012","97","","989","994","10.2138/am.2012.4019","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014465","8.1712","","8.1712","","8.1712","","90","","90","","90","","545.579","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.457 Fe0.541 Mg O4 -","- Al11.656 Fe4.328 Mg8 O32 -","- Al11.656 Fe4.328 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014471","8.0756","","8.0756","","8.0756","","90","","90","","90","","526.653","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.94 O4 Si -","- Mg15.52 O32 Si8 -","- Mg15.52 O32 Si8 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 193 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014473","5.8034","","11.3574","","12.9393","","90","","90","","90","","852.849","","","","","","","","","","","","Torr Works (Merehead) quarry, Cranmore, Somerset, United Kingdom","5","P m m 2","P 2 -2","25","","","Rickturnerite","- Cl6 H10.02 Mg2 O18.02 Pb14 -","- Cl6 H10.02 Mg2 O18.02 Pb14 -","- Cl6 H10.02 Mg2 O18.02 Pb14 -","1","0.25","","Rumsey, M. S.; Krivovichev, S. V.; Siidra, O. I.; Kirk, C. A.; Stanley, C. J.; Spratt, J.","Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral","Mineralogical Magazine","2012","76","","59","73","10.1180/minmag.2012.076.1.59","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014476","3.595","","3.595","","3.595","","90","","90","","90","","46.462","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 6.81 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014477","21.5474","","8.75638","","9.30578","","90","","91.5524","","90","","1755.14","","","","","","","","","","","","Denezhkin Kamen, Urals Region, Russia","5","C 1 2/c 1","-C 2yc","15","","","Partheite","- Al4 Ca2 H10 O21 Si4 -","- Al16 Ca8 H40 O84 Si16 -","- Al16 Ca8 H40 O84 Si16 -","","","","Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L.","Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: room temperature","American Mineralogist","2012","97","","1866","1873","10.2138/am.2012.4197","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014495","11.106","","11.106","","10.492","","90","","90","","120","","1120.74","","","","","","","","","","","","Graulay basalt quarry, Hillesheim, Eifel Mountains, Germany","4","P 63","P 6c","173","","","Hielscherite","- Ca3 O25 S2 Si -","- Ca6 O42 Os8 S4 Si2 -","- Ca6 O42 Os8 S4 Si2 -","","","","Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.","The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3231, single crystal","Mineralogical Magazine","2012","76","","1133","1152","10.1180/minmag.2012.076.5.06","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014497","4.767","","10.403","","6.072","","90","","90","","90","","301.117","","","","","","","","","","","","Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China","5","P b n m","-P 2c 2ab","62","","","Sicklerite","- Fe0.18 Li0.76 Mn0.8 O4 P -","- Fe0.72 Li3.04 Mn3.2 O16 P4 -","- Fe0.72 Li3.04 Mn3.2 O16 P4 -","","","","Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F.","A structural study of the lithiophilite-sicklerite series Sample 4, orange","The Canadian Mineralogist","2012","50","","843","854","10.3749/canmin.50.4.843","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014499","8.1478","","8.1478","","8.1478","","90","","90","","90","","540.905","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","- Al12.872 Fe3.112 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 60 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014501","5.7391","","11.5134","","8.335","","90","","90","","90","","550.748","","","","","","","","","","","","Synthetic","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg16 O32 Si8 -","- Mg16 O32 Si8 -","","","","Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.","High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 1084 K","American Mineralogist","2012","97","","1582","1590","10.2138/am.2012.3992","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014502","9.2507","","9.2507","","8.1788","","90","","90","","120","","606.135","","","","","","","","","","","","Jachymov, Czech Republic","6","P -6 2 c","P -6c -2c","190","","","Grimselite","- C3 H2 K2.463 Na1.537 O12 U -","- C3 H2 K2.463 Na1.537 O12 U -","- C6 H4 K4.926 Na3.074 O24 U2 -","2","0.166667","","Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P.","The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample A","Mineralogical Magazine","2012","76","","443","453","10.1180/minmag.2012.076.3.01","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014505","9.781","","9.778","","9.815","","90","","90","","90","","938.693","","","","","","","","","","","","Allende, Chihuahua, Mexico","2","P b c a","-P 2ac 2ab","61","","","Panguite","- O3 Ti1.67 -","- O48 Ti26.72 -","- O48 Ti26.72 -","","","","Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W.","Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral from the Allende meteorite: Synchrotron micro-diffraction and EBSD","American Mineralogist","2012","97","","1219","1225","10.2138/am.2012.4027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014508","8.0875","","8.0875","","8.0875","","90","","90","","90","","528.984","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co0.25 Mg0.75 O4 -","- Al16 Co2 Mg6 O32 -","- Al16 Co2 Mg6 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl14","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014510","8.17","","8.17","","8.17","","90","","90","","90","","545.339","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","- Al11.68 Fe4.312 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 9 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014511","8.101","","8.101","","8.101","","90","","90","","90","","531.638","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Co0.76 Mg0.25 O4 -","- Al16 Co6.08 Mg2 O32 -","- Al16 Co6.08 Mg2 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl67","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014516","5.148","","5.252","","7.404","","90","","89.88","","90","","200.184","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H6 Mg O6 Si -","- H12 Mg2 O12 Si2 -","- H12 Mg2 O12 Si2 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from Pnam","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014526","8.1457","","8.1457","","8.1457","","90","","90","","90","","540.487","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.392 Mg1.001 O4 -","- Al12.88 Fe3.136 Mg8.008 O32 -","- Al12.88 Fe3.136 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 5340 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014529","10.97","","10.943","","7.365","","109.63","","109.65","","83.39","","784.247","","","","","","","","","","","","Monte Somma syenite, Italy","7","P -1","-P 1","2","","","Hiortdahlite","- Ca4.52 F3 Mn0.41 Na1.88 O15 Si4 Zr1.19 -","- Ca9.04 F6 Mn0.82 Na3.76 O30 Si8 Zr2.38 -","- Ca9.04 F6 Mn0.82 Na3.76 O30 Si8 Zr2.38 -","","","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Distinct domains in ""guarinite"" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: ""Guarinite"" Domain IV","The Canadian Mineralogist","2012","50","","531","548","10.3749/canmin.50.2.531","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014534","12.58","","12.58","","5.058","","90","","90","","120","","693.219","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 0.76 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014535","17.982","","8.633","","5.0926","","90","","90","","90","","790.568","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 6.57(5) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014537","8.1115","","8.1115","","8.1115","","90","","90","","90","","533.708","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.84 O4 Si0.91 -","- Mg14.72 O32 Si7.28 -","- Mg14.72 O32 Si7.28 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014538","14.319","","17.825","","5.242","","90","","103.5","","90","","1300.98","","","","","","","","","","","","Aris phonolite, Namibia","6","C 1 2/m 1","-C 2y","12","","","Windhoekite","- Ca1.98 Fe2.76 H20 Mn0.14 O32 Si8 -","- Ca1.98 Fe2.76 H20 Mn0.14 O32 Si8 -","- Ca3.96 Fe5.52 H40 Mn0.28 O64 Si16 -","2","0.25","","Chukanov, N. V.; Britvin, S. N.; Blass, G.; Belakovskiy, D. I.; Van, K. V.","Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral from the Aris phonolite, Namibia Note: the chemical formula for this mineral cannot be obtained from the crystal structure. The structure is missing two oxygens, and the OH positions were not given.","European Journal of Mineralogy","2012","24","","171","179","10.1127/0935-1221/2011/0023-2161","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014540","3.527","","3.527","","3.527","","90","","90","","90","","43.875","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 16.63 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014542","19.5336","","11.0637","","15.2559","","90","","131.528","","90","","2468.25","","","","","","","","","","","","Tsumeb, Namibia","8","C 1 2/m 1","-C 2y","12","","","Betpakdalite-CaMg","- As2 Ca1.928 Fe3 H48.352 Mg Mo8 Na0.072 O61.176 -","- As2 Ca1.928 Fe3 H48.352 Mg Mo8 Na0.072 O61.176 -","- As4 Ca3.856 Fe6 H96.704 Mg2 Mo16 Na0.144 O122.352 -","2","0.25","","Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W.","The heteropolymolybdate family: structural relations, nomenclature scheme and new species","Mineralogical Magazine","2012","76","","1175","1207","10.1180/minmag.2012.076.5.09","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014548","8.1697","","8.1697","","8.1697","","90","","90","","90","","545.278","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.458 Fe0.541 Mg1.001 O4 -","- Al11.664 Fe4.328 Mg8.008 O32 -","- Al11.664 Fe4.328 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014561","8.755","","14.228","","17.927","","90","","103.739","","90","","2169.2","","","","","","","","","","","","Synthetic","6","C 1 2/c 1","-C 2yc","15","","","","- Cs H4 Ni1.5 O26 Se2 U4 -","- Cs H4 Ni1.5 O26 Se2 U4 -","- Cs4 H16 Ni6 O104 Se8 U16 -","4","0.5","","Wylie, E. M.; Burns, P. C.","Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 1","The Canadian Mineralogist","2012","50","","147","157","10.3749/canmin.50.1.147","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014567","10.804","","19.003","","5.112","","90","","90","","90","","1049.54","","","","","","","","","","","","Tsumeb, Namibia","7","P n m a","-P 2ac 2n","62","","","Arsenohopeite","- As2 Fe0.08 H7 Mg0.05 Mn0.05 O12 Zn2.82 -","- As2 Fe0.08 H7 Mg0.05 Mn0.05 O12 Zn2.82 -","- As8 Fe0.32 H28 Mg0.2 Mn0.2 O48 Zn11.28 -","4","0.5","","Neuhold, F.; Kolitsch, U.; Bernhardt, H. J.; Lengauer, C. L.","Arsenohopeite, a new zinc arsenate mineral from the Tsumeb mine, Namibia","Mineralogical Magazine","2012","76","","603","612","10.1180/minmag.2012.076.3.11","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014583","15.917","","15.917","","7.252","","90","","90","","120","","1591.15","","","","","","","","","","","","Blocherleitengraben, Lower Austria","7","R 3 m :H","R 3 -2""","160","","","Fluor-schorl","- Al5.466 B3 Ca0.03 Fe3.534 Na0.97 O31 Si6 -","- Al16.398 B9 Ca0.09 Fe10.602 Na2.91 O93 Si18 -","- Al16.398 B9 Ca0.09 Fe10.602 Na2.91 O93 Si18 -","","","","Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.","Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h1, heated in air at 700 C for 10 h","American Mineralogist","2012","97","","1402","1416","10.2138/am.2012.4028","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014587","10.9015","","13.3136","","3.69","","90","","90","","90","","535.56","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 7.41 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014588","8.0957","","8.0957","","8.0957","","90","","90","","90","","530.595","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Co0.63 Mg0.37 O4 -","- Al16 Co5.04 Mg2.96 O32 -","- Al16 Co5.04 Mg2.96 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl50","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014591","3.583","","3.583","","3.583","","90","","90","","90","","45.998","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 8.36 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014594","4.756","","4.756","","13.109","","90","","90","","120","","256.793","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 35.4 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9014605","3.555","","3.555","","3.555","","90","","90","","90","","44.928","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 9.90 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014615","4.8691","","4.3184","","2.9594","","90","","90","","90","","62.226","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H2 O2 -","- Cr2 H4 O4 -","- Cr2 H4 O4 -","","","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run #630","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014618","4.9667","","7.9775","","5.768","","90","","90","","90","","228.539","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 415 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014621","5.6978","","5.6978","","18.373","","90","","90","","120","","516.565","","","","","","","","","","","","Xianghualing tin-polymetallic ore field, Hunan Province, China","7","P 63 m c","P 6c -2c","186","","","Magnesiotaaffeite-2N'2S","- Al8 Be Fe0.885 Mg1.73 O16 Sn0.063 Zn0.322 -","- Al16 Be2 Fe1.77 Mg3.46 O32 Sn0.126 Zn0.644 -","- Al16 Be2 Fe1.77 Mg3.46 O32 Sn0.126 Zn0.644 -","","","","Yang, Z.; Ding, K.; De Fourestier, J.; Mao, Q.; Li, H.","Ferrotaaffeite-2N'2S, a new mineral species, and the crystal structure of Fe2±rich magnesiotaaffeite-2N'2S from the Xianghualing tin-polymetallic ore field, Hunan Province, China","The Canadian Mineralogist","2012","50","","21","29","10.3749/canmin.50.1.21","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014637","8.1457","","8.1457","","8.1457","","90","","90","","90","","540.487","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg O4 -","- Al12.88 Fe3.12 Mg8 O32 -","- Al12.88 Fe3.12 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014642","12.618","","12.618","","5.144","","90","","90","","120","","709.272","","","","","","","","","","","","Tamazeght","7","P 63","P 6c","173","","","Cancrinite","- C0.721 H1.998 Al2.76 Ca0.45 Na3.31 O15.162 Si3.24 -","- C0.721 H1.998 Al2.76 Ca0.45 Na3.31 O15.162 Si3.24 -","- C1.442 H3.996 Al5.52 Ca0.9 Na6.62 O30.324 Si6.48 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz5/1","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014644","9.762","","12.201","","4.43","","90","","90","","90","","527.64","","","","","","","","","","","","Anjanabonoina mine, Madagascar","5","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 F0.04 H0.96 O3.96 -","- B8 Be16 F0.32 H7.68 O31.68 -","- B8 Be16 F0.32 H7.68 O31.68 -","","","","Gatta, G. D.; McIntyre, G. J.; Bromiley, G.; Guastoni, A.; Nestola, F.","A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F)","American Mineralogist","2012","97","","1891","1897","10.2138/am.2012.4232","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014648","12.53","","12.53","","5.072","","90","","90","","120","","689.623","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 0.99 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014650","12.5342","","12.5342","","12.5342","","90","","90","","90","","1969.2","","","","","","","","","","","","Fianel mine, Switzerland","7","I a -3 d","-I 4bd 2c 3","230","","","Palenzonaite","- As1.38 Ca2.04 Mn1.936 Na0.96 O12 Si0.03 V1.563 -","- As11.04 Ca16.32 Mn15.488 Na7.68 O96 Si0.24 V12.504 -","- As11.04 Ca16.32 Mn15.488 Na7.68 O96 Si0.24 V12.504 -","","","","Nagashima, M.; Armbruster, T.","Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures","Mineralogical Magazine","2012","76","","1081","1097","10.1180/minmag.2012.076.5.02","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014651","8.0462","","7.9256","","11.3206","","90","","107.726","","90","","687.651","","","","","","","","","","","","Jachymov, Czech Republic","5","P 1 21/c 1","-P 2ybc","14","","","Adolfpateraite","- H3 K O8 S U -","- H12 K4 O32 S4 U4 -","- H12 K4 O32 S4 U4 -","","","","Plasil, J.; Hlousek, J.; Veselovsky, F.; Fejfarova, K.; Dusek, M.; Skoda, R.; Novak, M.; Cejka, J.; Sejkora, J.; Ondrus, P.","Adolfpateraite, K(UO2)(SO4)(OH)(H2O), a new uranyl, sulphate mineral from Jachymov, Czech Republic","American Mineralogist","2012","97","","447","454","10.2138/am.2012.3976","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014672","9.7848","","9.1369","","5.1936","","90","","101.764","","90","","454.569","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","","- Fe Ge O3 -","- Fe8 Ge8 O24 -","- Fe8 Ge8 O24 -","","","","Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.","Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 100 K","American Mineralogist","2012","97","","694","706","10.2138/am.2012.3995","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014678","9.065","","13.03","","6.375","","90","","106.77","","90","","720.971","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 1.55 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014684","9.7993","","9.1491","","5.1991","","90","","101.891","","90","","456.122","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","","- Fe Ge O3 -","- Fe8 Ge8 O24 -","- Fe8 Ge8 O24 -","","","","Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.","Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 298 K","American Mineralogist","2012","97","","694","706","10.2138/am.2012.3995","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014688","9.9692","","7.2441","","24.2493","","90","","98.488","","90","","1732.05","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Bianchite","- H12 O10 S Zn -","- H12 O10 S Zn -","- H96 O80 S8 Zn8 -","8","1","","Anderson, J. L.; Peterson, R. C.; Swainson, I.","The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O","American Mineralogist","2012","97","","1905","1914","10.2138/am.2012.4121","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014689","5.3506","","5.3506","","19.5802","","90","","90","","120","","485.459","","","","","","","","","","","","Oms, France","8","P -3","-P 3","147","","","Omsite","- As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846 -","- As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846 -","- As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846 -","1","0.166667","","Mills, S. J.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Pasero, M.; Biagioni, C.; Merlino, S.; Berbain, C.; Orlandi, P.","Omsite, (Ni,Cu)2Fe3+(OH)6[Sb(OH)6], a new member of the cualstibite group from Oms, France","Mineralogical Magazine","2012","76","","1347","1354","10.1180/minmag.2012.076.5.16","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014693","11.2796","","13.9181","","3.7359","","90","","90","","90","","586.501","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 1.41 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014701","12.17","","7.12","","9.47","","90","","118.37","","90","","722.026","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","Vaterite","- C Ca O3 -","- C12 Ca12 O36 -","- C12 Ca12 O36 -","","","","Mugnaioli, E.; Andrusenko, I.; Schuler, T.; Loges, N.; Dinnebier, R. E.; Panthofer, M.; Tremel, W.; Kolb, U.","Ab-initio-Strukturbestimmung von Vaterit mit automatischer Beugungstomographie","Angewandte Chemie","2012","124","","1","6","10.1002/ange.201106864","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014708","6.9935","","6.9935","","17.64","","90","","90","","120","","747.168","","","","","","","","","","","","Hungary","5","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.796 K0.876 Na0.071 O14 S2 -","- Al2.796 K0.876 Na0.071 O14 S2 -","- Al8.388 K2.628 Na0.213 O42 S6 -","3","0.0833333","","Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.","Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 500 C","Mineralogical Magazine","2012","76","","613","623","10.1180/minmag.2012.076.3.12","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014710","54.116","","4.9143","","5.5482","","90","","90.425","","90","","1475.46","","","","","","","","","","","","the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan","6","C 1 2/c 1","-C 2yc","15","","","Billwiseite","- Nb1.32 O18 Sb5 Ta1.28 Ti0.16 W1.24 -","- Nb1.32 O18 Sb5 Ta1.28 Ti0.16 W1.24 -","- Nb5.28 O72 Sb20 Ta5.12 Ti0.64 W4.96 -","4","0.5","","Hawthorne, F. C.; Cooper, M. A.; Ball, N. A.; Abdu, Y. A.; Cerny, P.; Camara, F.; Laurs, B. M.","Billwiseite, ideally Sb3+5(Nb,Ta)3WO18, a new oxide mineral species from the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan: description and crystal structure","The Canadian Mineralogist","2012","50","","805","814","10.3749/canmin.50.4.805","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014712","9.9904","","5.9934","","5.5255","","90","","97.428","","90","","328.071","","","","","","","","","","","","Copper Creek, Pinal County, Arizona, USA","4","P 1 21/m 1","-P 2yb","11","","","Markascherite","- Cu3 H8 Mo O8 -","- Cu3 H8 Mo O8 -","- Cu6 H16 Mo2 O16 -","2","0.5","","Yang, H.; Jenkins, R. A.; Thompson, R. M.; Downs, R. T.; Evans, S. H.; Bloch, E. M.","Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite, from Copper Creek, Pinal County, Arizona, U.S.A.","American Mineralogist","2012","97","","197","202","10.2138/am.2012.3895","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014715","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.391 Mg0.999 O4 -","- Al12.88 Fe3.128 Mg7.992 O32 -","- Al12.88 Fe3.128 Mg7.992 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 6 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014717","8.169","","8.169","","8.169","","90","","90","","90","","545.138","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.462 Fe0.537 Mg O4 -","- Al11.696 Fe4.296 Mg8 O32 -","- Al11.696 Fe4.296 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 93 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014722","12.618","","12.618","","5.116","","90","","90","","120","","705.411","","","","","","","","","","","","Khibiny","7","P 63","P 6c","173","","","Cancrinite","- C0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21 -","- C0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21 -","- C1.472 H3.996 Al5.58 Ca0.54 Na7.4 O30.414 Si6.42 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# 11/1","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014729","16.176","","5.5342","","10.0007","","90","","90","","90","","895.275","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 1.144 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014735","8.09491","","8.09491","","8.09491","","90","","90","","90","","530.44","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 Co0.5 O4 Zn0.5 -","- Al16 Co4 O32 Zn4 -","- Al16 Co4 O32 Zn4 -","","","","Ardit, M.; Cruciani, G.; Dondi, M.","Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.035, Co content = 0.50 apfu","American Mineralogist","2012","97","","1394","1401","10.2138/am.2012.4093","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014739","13.019","","13.019","","12.899","","90","","90","","90","","2186.31","","","","","","","","","","","","Upper Dara-Pioz alkaline massif, Garm district, Tajikistan","4","I 41/a c d :2","-I 4bd 2c","142","","","Kirchhoffite","- B Cs O6 Si2 -","- B16 Cs16 O96 Si32 -","- B16 Cs16 O96 Si32 -","","","","Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Hawthorne, F. C.","Kirchhoffite, CsBSi2O6, a new mineral species from the Darai-Pioz Alkaline Massif,Tajikistan: Description and crystal structure","The Canadian Mineralogist","2012","50","","523","529","10.3749/canmin.50.2.523","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014742","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.45 Fe0.55 Mg O4 -","- Al11.6 Fe4.4 Mg8 O32 -","- Al11.6 Fe4.4 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014747","56.29","","3.924","","15.916","","90","","102.56","","90","","3431.43","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","","- In19 S19.6 Se21.4 Sn12 -","- In38 S39.2 Se42.8 Sn24 -","- In38 S39.2 Se42.8 Sn24 -","","","","Topa, D.; Makovicky, E.","Structures and classification of indium sulfosalts, and the crystal structure of Sn12In19(Se,S)41","The Canadian Mineralogist","2012","50","","397","422","10.3749/canmin.50.2.397","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014752","16.232","0.006","9.373","0.002","14.06","0.003","90","","97.36","0.04","90","","2121.5","1","293","2","293","2","","","","","","","Harstigen, Filipstad, Sweden","6","C 1 2 1","C 2y","5","","","molybdophyllite","- C3 H10 Mg9 O48 Pb8 Si10 -","- C3 H10 Mg9 O48 Pb8 Si10 -","- C6 H20 Mg18 O96 Pb16 Si20 -","2","0.5","","Kolitsch, U.; Merlino, S.; Holtstam, D.","Molybdophyllite: crystal chemistry, crystal structure, OD character and modular relationships with britvinite","Mineralogical Magazine","2012","76","3","493","516","10.1180/minmag.2012.076.3.04","","","0.71073","MoKα","","0.1018","0.096","","","0.2542","0.2678","","","","","","1.063","","","","has coordinates,has Fobs","201816","2020-10-21","18:00:00",""
"9014759","12.5359","","12.5359","","12.5359","","90","","90","","90","","1970","","","","","","","","","","","","Gambatesa mine, Italy","7","I a -3 d","-I 4bd 2c 3","230","","","Palenzonaite","- As0.132 Ca2.19 Mn1.978 Na0.81 O12 Si0.18 V2.7 -","- As1.056 Ca17.52 Mn15.824 Na6.48 O96 Si1.44 V21.6 -","- As1.056 Ca17.52 Mn15.824 Na6.48 O96 Si1.44 V21.6 -","","","","Nagashima, M.; Armbruster, T.","Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures","Mineralogical Magazine","2012","76","","1081","1097","10.1180/minmag.2012.076.5.02","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014762","13.973","","5.6984","","11.988","","90","","114.1","","90","","871.327","","","","","","","","","","","","Saima alkaline complex, Liaoning Province, NE China","7","C 1 2/m 1","-C 2y","12","","","Hezuolinite","- Ce0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91 -","- Ce1.2 Fe0.732 O44 Si8 Sr6.8 Ti7.448 Zr1.82 -","- Ce1.2 Fe0.732 O44 Si8 Sr6.8 Ti7.448 Zr1.82 -","","","","Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E.","Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of the chevkinite group from Saima alkaline complex, Liaoning Province, NE China","European Journal of Mineralogy","2012","24","","189","196","10.1127/0935-1221/2011/0023-2158","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014779","7.1","","7.125","","19.955","","92.406","","94.924","","90.42","","1004.8","","","","","","","","","","","","Belorechenskoye deposit, Northern Caucasus, Russia","7","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","Rauchite","- As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2 -","- As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2 -","- As3.56 H40 Mg0.62 Ni1.38 O44 P0.44 U4 -","2","","","Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V.","New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group","European Journal of Mineralogy","2012","24","","913","922","10.1127/0935-1221/2012/0024-2217","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014784","7.55943","","16.7923","","12.1783","","90","","94.076","","90","","1542.01","","","","","","","","","","","","Alcaparrosa, Chile","6","C 1 2/c 1","-C 2yc","15","","","Alcaparrosaite","- Fe H4 K3 O19 S4 Ti -","- Fe H4 K3 O19 S4 Ti -","- Fe4 H16 K12 O76 S16 Ti4 -","4","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Williams, P. A.; Dini, M.","Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate from Alcaparrosa, Chile","Mineralogical Magazine","2012","76","","851","861","10.1180/minmag.2012.076.4.03","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014785","8.0947","","8.0947","","8.0947","","90","","90","","90","","530.398","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.88 O4 Si0.96 -","- Mg15.04 O32 Si7.68 -","- Mg15.04 O32 Si7.68 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 635 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014789","3.521","","3.521","","3.521","","90","","90","","90","","43.651","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 17.59 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014800","12.386","","12.386","","4.954","","90","","90","","120","","658.186","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 3.59 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014810","4.8949","","4.8949","","13.432","","90","","90","","120","","278.714","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 8.1 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9014816","8.10011","","8.10011","","8.10011","","90","","90","","90","","531.463","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Co0.75 O4 Zn0.25 -","- Al16 Co6 O32 Zn2 -","- Al16 Co6 O32 Zn2 -","","","","Ardit, M.; Cruciani, G.; Dondi, M.","Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.049, Co content = 0.75 apfu","American Mineralogist","2012","97","","1394","1401","10.2138/am.2012.4093","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014819","12.62","","12.62","","5.083","","90","","90","","120","","701.083","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-DAC)","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014821","8.1479","","8.1479","","8.1479","","90","","90","","90","","540.925","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al12.88 Fe3.112 Mg8.008 O32 -","- Al12.88 Fe3.112 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014822","19.1686","","17.16","","13.042","","90","","90.008","","90","","4289.95","","","","","","","","","","","","Oura mine, San Jose, Bolivia","4","P 1 21/c 1","-P 2ybc","14","","","Andorite IV","- Ag Pb S6 Sb3 -","- Ag16 Pb16 S96 Sb48 -","- Ag16 Pb16 S96 Sb48 -","","","","Nespolo, M.; Ozawa, T.; Kawasaki, Y.; Sugiyama, K.","Structural relations and pseudosymmetries in the andorite homologous series","Journal of Mineralogical and Petrological Sciences","2012","107","","226","243","10.2465/jmps.120730","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014824","4.69","","4.69","","12.972","","90","","90","","120","","247.106","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 50.2 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9014826","8.10559","","8.10559","","8.10559","","90","","90","","90","","532.542","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Co O4 -","- Al16 Co8 O32 -","- Al16 Co8 O32 -","","","","Ardit, M.; Cruciani, G.; Dondi, M.","Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.072, Co content = 1.00 apfu","American Mineralogist","2012","97","","1394","1401","10.2138/am.2012.4093","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014828","5.8319","","11.8873","","8.3522","","90","","90","","90","","579.021","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.16 Mg0.31 O4 Si0.53 -","- Fe17.2792 Mg2.4808 O32 Si4.24 -","- Fe17.2792 Mg2.4808 O32 Si4.24 -","","","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 8f5v0128, Spinelloid-III","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014831","8.1472","","8.1472","","8.1472","","90","","90","","90","","540.786","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.611 Fe0.39 Mg O4 -","- Al12.888 Fe3.12 Mg8 O32 -","- Al12.888 Fe3.12 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014833","4.9638","","7.9698","","5.7545","","90","","90","","90","","227.651","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 359 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014836","15.5948","","15.5948","","11.7794","","90","","90","","90","","2864.72","","","","","","","","","","","","Langban,Sweden","8","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9 -","- Al24 As0.312 Bi1.104 Ca35.74 Cl1.6 Mn18.316 O154.52 Si36 -","- Al24 As0.312 Bi1.104 Ca35.74 Cl1.6 Mn18.316 O154.52 Si36 -","","","","Groat, L. A.; Evans, R. J.","Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 1","American Mineralogist","2012","97","","1627","1634","10.2138/am.2012.4091","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014846","8.1164","","8.1164","","8.1164","","90","","90","","90","","534.676","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.84 O4 Si0.95 -","- Mg14.72 O32 Si7.6 -","- Mg14.72 O32 Si7.6 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 635 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014847","9.1381","","15.0098","","15.1732","","90","","91.171","","90","","2080.74","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","","- Cs2 H9.5 O37.75 Se4 U7 -","- Cs2 H9.5 O37.75 Se4 U7 -","- Cs4 H19 O75.5 Se8 U14 -","2","0.5","","Wylie, E. M.; Burns, P. C.","Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 4","The Canadian Mineralogist","2012","50","","147","157","10.3749/canmin.50.1.147","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014851","3.473","","3.473","","3.473","","90","","90","","90","","41.89","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 26.55 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014856","10.836","","10.27","","7.296","","90","","109.13","","90","","767.103","","","","","","","","","","","","Monte Somma syenite, Italy","8","P 1 21 1","P 2yb","4","","","Wohlerite","- Ca4.25 F Fe0.18 Na1.57 Nb0.57 O17 Si4 Zr1.43 -","- Ca8.5 F2 Fe0.36 Na3.14 Nb1.14 O34 Si8 Zr2.86 -","- Ca8.5 F2 Fe0.36 Na3.14 Nb1.14 O34 Si8 Zr2.86 -","","","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Distinct domains in ""guarinite"" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: ""Guarinite"" Domain II","The Canadian Mineralogist","2012","50","","531","548","10.3749/canmin.50.2.531","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014857","4.976","","5.023","","7.115","","90","","89.89","","90","","177.835","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H6 Mg O6 Si -","- H24 Mg4 O24 Si4 -","- H24 Mg4 O24 Si4 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from P2_12_12_1","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014859","6.088","","4.814","","10.484","","90","","89.42","","90","","307.245","","","","","","","","","","","","La Empleada pegmatite, San Luis Province, Argentina","5","P 1 21/c 1","-P 2ybc","14","","","Zavaliaite","- Fe0.85 Mg0.49 Mn1.66 O8 P2 -","- Fe1.7 Mg0.98 Mn3.32 O16 P4 -","- Fe1.7 Mg0.98 Mn3.32 O16 P4 -","","","","Hatert, F.; Roda-Robles E; de Parseval, P.; Wouters, J.","Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from La Empleada pegmatite, San Luis Province, Argentina","The Canadian Mineralogist","2012","50","","1445","1452","10.3749/canmin.50.6.1445","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014860","18.158","","8.78","","5.1574","","90","","90","","90","","822.23","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 1.23(4) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014870","11.1825","","13.753","","3.7359","","90","","90","","90","","574.555","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 2.63 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014883","15.765","","15.765","","7.083","","90","","90","","120","","1524.53","","","","","","","","","","","","synthetic at 600 C","7","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.61 B3.546 H3 Li0.39 Na0.68 O31 Si5.454 -","- Al8.61 B3.546 H3 Li0.39 Na0.68 O31 Si5.454 -","- Al25.83 B10.638 H9 Li1.17 Na2.04 O93 Si16.362 -","3","0.166667","","Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R.","Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-13","American Mineralogist","2012","97","","1591","1597","10.2138/am.2012.4060","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014885","12.1886","","3.7748","","6.5033","","90","","107.72","","90","","285.018","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","","- Al0.76 Cr0.24 Nb O4 -","- Al3.04 Cr0.96 Nb4 O16 -","- Al3.04 Cr0.96 Nb4 O16 -","","","","Ardit, M.; Dondi, M.; Cruciani, G.","Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N37","American Mineralogist","2012","97","","910","917","10.2138/am.2012.3977","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014886","9.9522","","2.7397","","5.9953","","90","","90","","90","","163.468","","","","","","","","","","","","Synthetic","3","I m m 2","I 2 -2","44","","","","- Fe O7 Ti3 -","- Fe2 O14 Ti6 -","- Fe2 O14 Ti6 -","","","","Nishio-Hamane D; Zhang, M.; Yagi, T.; Ma, Y.","High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure Note: P = 61 GPa, T = 300 K","American Mineralogist","2012","97","","568","572","10.2138/am.2012.3973","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014887","4.9692","","7.9873","","5.7796","","90","","90","","90","","229.395","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014889","7.15505","","8.88101","","5.45447","","90","","90","","90","","346.599","","","","","","","","","","","","Elk Creek, South Dakota, USA","6","P b n m","-P 2c 2ab","62","","","Barite","- Ba0.985 Ca0.002 Mg0.002 O4 S Sr0.007 -","- Ba3.94 Ca0.008 Mg0.008 O16 S4 Sr0.028 -","- Ba3.94 Ca0.008 Mg0.008 O16 S4 Sr0.028 -","","","","Antao, S. M.","Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups","American Mineralogist","2012","97","","661","665","10.2138/am.2012.3905","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014896","8.1465","","8.1465","","8.1465","","90","","90","","90","","540.646","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al12.88 Fe3.112 Mg8.008 O32 -","- Al12.88 Fe3.112 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 9 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014899","12.266","","12.266","","4.864","","90","","90","","120","","633.768","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 6.16 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014902","10.228","","3.1125","","4.7165","","90","","90","","90","","150.148","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- F H O Zn -","- F4 H4 O4 Zn4 -","- F4 H4 O4 Zn4 -","","","","Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D.","Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Note: transformed from Serier et al (2007)","Mineralogical Magazine","2012","76","","25","36","10.1180/minmag.2012.076.1.25","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014903","11.6044","","11.6044","","11.6044","","90","","90","","90","","1562.67","","","","","","","","","","","","inclusion in diamond, Jericho kimberlite, Slave Craton, Canada","7","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 -","- Al15.84 Ca5.52 Cr0.16 Fe8.64 Mg9.84 O96 Si24 -","- Al15.84 Ca5.52 Cr0.16 Fe8.64 Mg9.84 O96 Si24 -","","","","Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M.","In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: Parameters transformed to room conditions from pressure effect of diamond","European Journal of Mineralogy","2012","24","","599","606","10.1127/0935-1221/2012/0024-2212","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014904","12.617","","12.617","","5.129","","90","","90","","120","","707.091","","","","","","","","","","","","Ilmeny Mountains, southern Urals, Russia","7","P 63","P 6c","173","","","Cancrinite","- C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09 -","- C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09 -","- C1.542 H3.996 Al5.82 Ca1.2 Na6.51 O30.624 Si6.18 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf28962","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014921","9.785","","9.1324","","5.1924","","90","","101.751","","90","","454.271","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","","- Fe Ge O3 -","- Fe8 Ge8 O24 -","- Fe8 Ge8 O24 -","","","","Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.","Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 4 K","American Mineralogist","2012","97","","694","706","10.2138/am.2012.3995","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014923","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.463 Fe0.538 Mg1.003 O4 -","- Al11.704 Fe4.304 Mg8.024 O32 -","- Al11.704 Fe4.304 Mg8.024 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014925","6.6094","","6.6094","","9.7239","","90","","90","","120","","367.871","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","- Ba2 O18 Si6 Ti2 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 1.12 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014926","5.4496","","5.4496","","32.949","","90","","90","","90","","978.524","","","","","","","","","","","","Uchucchacua polymetallic deposit, Lima Department, Peru","4","P 43 2 2","P 4cw 2c","95","","","Manganoquadratite","- Ag As Mn S3 -","- Ag8 As8 Mn8 S24 -","- Ag8 As8 Mn8 S24 -","","","","Bonazzi, P.; Keutsch, F. N.; Bindi, L.","Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure","American Mineralogist","2012","97","","1199","1205","10.2138/am.2012.4004","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014927","15.921","","15.921","","7.175","","90","","90","","120","","1575.05","","","","","","","","","","","","Forshammar Bergslagen Province, Sweden","11","R 3 m :H","R 3 -2""","160","","","Dravite","- Al6 B3 Ca0.05 F0.038 Fe0.231 H3.42 K0.01 Mg2.769 Na0.711 O30.962 Si6 -","- Al6 B3 Ca0.05 F0.038 Fe0.231 H3.42 K0.01 Mg2.769 Na0.711 O30.962 Si6 -","- Al18 B9 Ca0.15 F0.114 Fe0.693 H10.26 K0.03 Mg8.307 Na2.133 O92.886 Si18 -","3","0.166667","","Bacik, P.; Uher, P.; Ertl, A.; Jonsson, E.; Nysten, P.; Kanicky, V.; Vaculovic, T.","Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen Province, Sweden: An EMPA, XRD and LA-ICP-MS study Sample: TSW an3 (rim)","The Canadian Mineralogist","2012","50","","825","841","10.3749/canmin.50.4.825","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014929","9.609","","13.6833","","9.7559","","90","","90","","90","","1282.73","","","","","","","","","","","","Wagholi quarry, Poona district, India","4","P n m a","-P 2ac 2n","62","","","Cavansite","- Ca O14.249 Si4 V -","- Ca4 O56.996 Si16 V4 -","- Ca4 O56.996 Si16 V4 -","","","","Danisi, R. M.; Armbruster, T.; Lazic, B.","In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 75 C","American Mineralogist","2012","97","","1874","1880","10.2138/am.2012.4228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014938","5.601","","5.601","","5.601","","90","","90","","90","","175.71","","","","","","","","","","","","Zaklodzie meteorite","4","F -4 3 m","F -4 2 3","216","","","Browneite","- Ca0.002 Fe0.01 Mn0.993 S -","- Ca0.008 Fe0.04 Mn3.972 S4 -","- Ca0.008 Fe0.04 Mn3.972 S4 -","","","","Ma, C.; Beckett, J. R.; Rossman, G. R.","Browneite, MnS, a new sphalerite-group mineral from the Zaklodzie meteorite","American Mineralogist","2012","97","","2056","2059","10.2138/am.2012.4286","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014956","11.3177","","11.3177","","9.6293","","90","","90","","120","","1068.17","","","","","","","","","","","","San Benito, California, USA","4","P 3 1 c","P 3 -2c","159","","","Benitoite","- Ba O9 Si3 Ti -","- Ba6 O54 Si18 Ti6 -","- Ba6 O54 Si18 Ti6 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 5.29 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014959","8.1473","","8.1473","","8.1473","","90","","90","","90","","540.806","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.611 Fe0.391 Mg O4 -","- Al12.888 Fe3.128 Mg8 O32 -","- Al12.888 Fe3.128 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = Untreated min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014961","6.4235","","5.5399","","9.321","","90","","90.767","","90","","331.663","","","","","","","","","","","","Lavrion, Greece","5","P 1 21/m 1","-P 2yb","11","","","","- As Cl2 H O3 Pb2 -","- As Cl2 H O3 Pb2 -","- As2 Cl4 H2 O6 Pb4 -","2","0.5","","Siidra, O. I.; Chukanov, N. V.; Pekov, I. V.; Krivovichev, S. V.; Magganas, A.; Katerinopoulos, A.; Voudouris, P.","Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece: occurrence and characterization","Mineralogical Magazine","2012","76","","597","602","10.1180/minmag.2012.076.3.10","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014967","7.549","","10.305","","10.904","","115.136","","99.798","","92.864","","749.581","","","","","","","","","","","","GroBvoigtsberg, Germany","5","P -1","-P 1","2","","","Bukovskyite","- As Fe2 H19 O18 S -","- As Fe2 H19 O18 S -","- As2 Fe4 H38 O36 S2 -","2","1","","Majzlan, J.; Lazic, B.; Armbruster, T.; Johnson, M. B.; White, M. A.; Fisher, R. A.; Plasil, J.; Loun, J.; Skoda, R.; Novak, M.","Crystal structure, thermodynamic properties, and paragenesis of bukovskyite, Fe2(AsO4)(SO4)(OH)*9H2O","Journal of Mineralogical and Petrological Sciences","2012","107","","133","148","10.2465/jmps.110930","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014973","12.4829","","12.4829","","12.4829","","90","","90","","90","","1945.12","","","","","","","","","","","","Varenche, Italy","7","I a -3 d","-I 4bd 2c 3","230","","","Manganberzeliite","- As2.544 Ca2.01 Mg0.446 Mn1.554 Na0.99 O12 V0.456 -","- As2.544 Ca2.01 Mg0.446 Mn1.554 Na0.99 O12 V0.456 -","- As20.352 Ca16.08 Mg3.568 Mn12.432 Na7.92 O96 V3.648 -","8","0.0833333","","Nagashima, M.; Armbruster, T.","Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures","Mineralogical Magazine","2012","76","","1081","1097","10.1180/minmag.2012.076.5.02","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9014974","6.7127","","20.704","","6.6276","","90","","119.209","","90","","803.98","","","","","","","","","","","","Konigshall-Hindenburg potash-salt mine, Reyershausen, Germany","5","P 1 21 1","P 2yb","4","","","Veatchite","- B11 Ca0.301 H7 O22 Sr1.699 -","- B11 Ca0.301 H7 O22 Sr1.699 -","- B22 Ca0.602 H14 O44 Sr3.398 -","2","1","","Grice, J. D.; Pring, A.","Veatchite: structural relationships of the three polytypes Note: high-T polytype veatchite-1M, formally known as veatchite-p","American Mineralogist","2012","97","","489","495","10.2138/am.2012.3889","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014976","10.934","","10.991","","7.366","","109.43","","109.6","","83.56","","786.429","","","","","","","","","","","","the nepheline syenites of the Los Archipelago, Guinea","8","P -1","-P 1","2","","","Hiortdahlite","- Ca4.71 F3 Mn0.67 Na1.62 O15 Si4 Ti0.26 Zr0.74 -","- Ca9.42 F6 Mn1.34 Na3.24 O30 Si8 Ti0.52 Zr1.48 -","- Ca9.42 F6 Mn1.34 Na3.24 O30 Si8 Ti0.52 Zr1.48 -","","","","Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.","Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea","The Canadian Mineralogist","2012","50","","593","609","10.3749/canmin.50.3.593","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014977","17.87","","8.526","","4.9485","","90","","92.88","","90","","752.999","","","","","","","","","","","","San Carlos, Arizona, USA","4","P 1 21/c 1","-P 2ybc","14","","","Enstatite","- Fe0.093 Mg0.908 O3 Si -","- Fe1.48 Mg14.52 O48 Si16 -","- Fe1.48 Mg14.52 O48 Si16 -","","","","Zhang, J. S.; Dera, P.; Bass, J. D.","A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 14.26 GPa","American Mineralogist","2012","97","","1070","1074","10.2138/am.2012.4072","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014978","8.92","","9.429","","20.062","","79.66","","88.84","","62.72","","1471.6","","","","","","","","","","","","Lengenbach quarry, Binn valley, Switzerland","5","P -1","-P 1","2","","","Raberite","- Ag4 As5.78 S15 Sb1.22 Tl5 -","- Ag8 As11.56 S30 Sb2.44 Tl10 -","- Ag8 As11.56 S30 Sb2.44 Tl10 -","","","","Bindi, L.; Nestola, F.; Guastoni, A.; Peruzzo, L.; Ecker, M.; Carampin, R.","Raberite, Ti5Ag4As6SbS15, a new Ti-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure","Mineralogical Magazine","2012","76","","1153","1163","10.1180/minmag.2012.076.5.07","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014983","17.933","","8.595","","5.0766","","90","","90","","90","","782.477","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.26(6) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014984","15.9476","","15.9476","","7.1578","","90","","90","","120","","1576.53","","","","","","","","","","","","Konigsalm, Moldanian nappes, Lower Austria","12","R 3 m :H","R 3 -2""","160","","","Magnesiofoitite","- Al6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009 -","- Al6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009 -","- Al20.088 B9 F0.09 Fe3.6 H11.73 Li0.027 Mg3.096 Mn0.117 Na1.47 O92.91 Si17.856 Ti0.027 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK42","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014985","8.1031","","8.1031","","8.1031","","90","","90","","90","","532.051","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.86 O4 Si0.94 -","- Mg14.88 O32 Si7.52 -","- Mg14.88 O32 Si7.52 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014989","8.1465","","8.1465","","8.1465","","90","","90","","90","","540.646","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","- Al12.872 Fe3.112 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014990","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.463 Fe0.537 Mg1.002 O4 -","- Al11.704 Fe4.296 Mg8.016 O32 -","- Al11.704 Fe4.296 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 60 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015010","15.882","","15.882","","15.882","","90","","90","","90","","4006.04","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","5","I -4 3 d","I -4bd 2c 3","220","","","Dansite-(Fe)","- Cl3 Fe0.52 Na21.48 O40 S10 -","- Cl12 Fe2.08 Na85.92 O160 S40 -","- Cl12 Fe2.08 Na85.92 O160 S40 -","","","","Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M.","D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles","Mineralogical Magazine","2012","76","","2773","2783","10.1180/minmag.2012.076.7.10","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015019","3.49","","3.49","","3.49","","90","","90","","90","","42.509","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 23.17 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015020","8.1701","","8.1701","","8.1701","","90","","90","","90","","545.359","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.538 Mg O4 -","- Al11.68 Fe4.304 Mg8 O32 -","- Al11.68 Fe4.304 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015023","8.0976","","8.0976","","8.0976","","90","","90","","90","","530.969","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.92 O4 Si0.98 -","- Mg15.36 O32 Si7.84 -","- Mg15.36 O32 Si7.84 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 489 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015025","8.601","","6.2903","","7.219","","90","","114.61","","90","","355.091","","","","","","","","","","","","Hekla volcano, Iceland","3","C 1 2/c 1","-C 2yc","15","","","Jakobssonite","- Al Ca0.66 F5 -","- Al4 Ca2.64 F20 -","- Al4 Ca2.64 F20 -","","","","Balic-Zunic T; Garavelli, A.; Mitolo, D.; Acquafredda, P.; Leonardsen, E.","Jakobssonite, CaAlF5, a new mineral from fumaroles at the Eldfell and Hekla volcanoes, Iceland","Mineralogical Magazine","2012","76","","751","760","10.1180/minmag.2012.076.3.22","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015031","6.947","","6.947","","6.133","","90","","90","","90","","295.984","","","","","","","","","","","","Stetind quarry, Tysfjord, Norway","8","I -4 2 d","I -4 2bw","122","","","Atelisite-(Y)","- Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12 -","- Dy0.12 Er0.2 Gd0.08 H8 O16 Si2.92 Y3.12 Yb0.48 -","- Dy0.12 Er0.2 Gd0.08 H8 O16 Si2.92 Y3.12 Yb0.48 -","","","","Malcherek, T.; Mihailova, B.; Schluter, J.; Husdal, T.","Atelisite-(Y), a new rare earth defect silicate of the KDP structure type","European Journal of Mineralogy","2012","24","","1053","1060","10.1127/0935-1221/2012/0024-2242","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015034","3.06616","","3.06616","","22.6164","","90","","90","","120","","184.138","","","","","","","","","","","","El Soplao cave, Cantabria, Spain","5","R -3 m :H","-R 3 2""","166","","","Zaccagnaite","- C0.2 H2.912 Al0.4 O3.056 Zn0.6 -","- C0.2 H2.912 Al0.4 O3.056 Zn0.6 -","- C0.6 H8.736 Al1.2 O9.168 Zn1.8 -","3","0.0833333","","Lozano, R. P.; Rossi, C.; La Iglesia, A.; Matesanz, E.","Zaccagnaite-3R, a new Zn-Al hydrotalcite polytype from El Soplao cave (Cantabria, Spain) Note: polytype zaccagnaite-3R","American Mineralogist","2012","97","","513","523","10.2138/am.2012.3908","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015046","6.6031","","6.6031","","9.71","","90","","90","","120","","366.645","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","- Ba2 O18 Si6 Ti2 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 2.14 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015051","8.1698","","8.1698","","8.1698","","90","","90","","90","","545.298","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.537 Mg1.002 O4 -","- Al11.68 Fe4.296 Mg8.016 O32 -","- Al11.68 Fe4.296 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015061","4.6995","","11.779","","20.1671","","90","","90","","90","","1116.36","","","","","","","","","","","","the Larsemann Hills, Prydz Bay, Princess Elizabeth Land, East Antarctica","4","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.79 B O18 Si3 -","- Al27.16 B4 O72 Si12 -","- Al27.16 B4 O72 Si12 -","","","","Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.","The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67","The Canadian Mineralogist","2012","50","","855","872","10.3749/canmin.50.4.855","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015062","5.4363","","10.5","","7.075","","97.701","","110.295","","102.021","","360.987","","","","","","","","","","","","Aghbar, Anti-Atlas, Morocco","5","P -1","-P 1","2","","","Maghrebite","- Al2 As2 H18 Mg O18 -","- Al2 As2 H18 Mg O18 -","- Al2 As2 H18 Mg O18 -","1","0.5","","Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G.","Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group","European Journal of Mineralogy","2012","24","","717","726","10.1127/0935-1221/2012/0024-2172","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9015063","8.0929","","8.761","","22.497","","90.868","","97.247","","90.793","","1581.96","","","","","","","","","","","","barite-pyrite-iron oxides deposit of","6","P -1","-P 1","2","","","Boscardinite","- Ag0.29 As1.73 Pb2.956 S18 Sb7.794 Tl1.23 -","- Ag0.58 As3.46 Pb5.912 S36 Sb15.588 Tl2.46 -","- Ag0.58 As3.46 Pb5.912 S36 Sb15.588 Tl2.46 -","","","","Orlandi, P.; Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Paar, W. H.","Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite, TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine: Occurrence and crystal structure Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy","The Canadian Mineralogist","2012","50","","235","251","10.3749/canmin.50.2.235","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015096","6.9771","","6.9771","","17.36","","90","","90","","120","","731.864","","","","","","","","","","","","Hungary","6","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.925 H6.147 K0.876 Na0.071 O14.049 S2 -","- Al8.775 H18.441 K2.628 Na0.213 O42.147 S6 -","- Al8.775 H18.441 K2.628 Na0.213 O42.147 S6 -","","","","Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.","Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 100 C","Mineralogical Magazine","2012","76","","613","623","10.1180/minmag.2012.076.3.12","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015105","3.498","","3.498","","3.498","","90","","90","","90","","42.802","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 21.57 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015109","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.462 Fe0.538 Mg1.001 O4 -","- Al11.696 Fe4.304 Mg8.008 O32 -","- Al11.696 Fe4.304 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015126","8.0793","","8.0793","","8.0793","","90","","90","","90","","527.377","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al16 Cu8 O32 -","- Al16 Cu8 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl100h","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015135","10.8044","","9.7945","","7.0532","","90","","108.056","","90","","709.639","","","","","","","","","","","","the nepheline syenites of the Los Archipelago, Guinea","8","P 1 21/a 1","-P 2yab","14","","","Normandite","- Ca0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2 -","- Ca3.296 F4 Mn2.9 Na4.704 O32 Si8 Ti4.3 Zr0.8 -","- Ca3.296 F4 Mn2.9 Na4.704 O32 Si8 Ti4.3 Zr0.8 -","","","","Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.","Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea","The Canadian Mineralogist","2012","50","","593","609","10.3749/canmin.50.3.593","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015138","14.1957","","14.2291","","9.6305","","90","","111.578","","90","","1808.95","","","","","","","","","","","","Anderson mine, Arizona, USA","5","C 1 2/m 1","-C 2y","12","","","Weeksite","- H15.716 K3.762 O41.858 Si10 U4 -","- H15.716 K3.762 O41.858 Si10 U4 -","- H31.432 K7.524 O83.716 Si20 U8 -","2","0.25","","Fejfarova, K.; Plasil, J.; Yang, H.; Cejka, J.; Dusek, M.; Downs, R. T.; Barkley, M. C.; Skoda, R.","Revision of the crystal structure and chemical formula of weeksite, K2(UO2)2(Si5O13)*4H2O","American Mineralogist","2012","97","","750","754","10.2138/am.2012.4025","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015141","19.233","","12.633","","8.476","","90","","90.08","","90","","2059.42","","","","","","","","","","","","Uchucchacua, Lima Department, Peru","6","P 1 21/n 1","-P 2yn","14","","","Menchettiite","- Ag As1.89 Mn1.6 Pb2.28 S12 Sb3.15 -","- Ag4 As7.56 Mn6.4 Pb9.12 S48 Sb12.6 -","- Ag4 As7.56 Mn6.4 Pb9.12 S48 Sb12.6 -","","","","Bindi, L.; Keutsch, F. N.; Bonazzi, P.","Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model II","American Mineralogist","2012","97","","440","446","10.2138/am.2012.3944","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015166","3.569","","3.569","","3.569","","90","","90","","90","","45.461","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 8.02 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015170","12.345","","12.345","","12.345","","90","","90","","90","","1881.37","","","","","","","","","","","","Langban, Sweden","7","I a -3 d","-I 4bd 2c 3","230","","","Berzeliite","- As2.847 Ca2.1 Mg1.762 Mn0.238 Na0.9 O12 Si0.12 -","- As22.776 Ca16.8 Mg14.096 Mn1.904 Na7.2 O96 Si0.96 -","- As22.776 Ca16.8 Mg14.096 Mn1.904 Na7.2 O96 Si0.96 -","","","","Nagashima, M.; Armbruster, T.","Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures","Mineralogical Magazine","2012","76","","1081","1097","10.1180/minmag.2012.076.5.02","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015172","4.7403","","10.4145","","6.0795","","90","","90","","90","","300.132","","","","","","","","","","","","Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China","5","P b n m","-P 2c 2ab","62","","","Sicklerite","- Fe0.2 Li0.84 Mn0.8 O4 P -","- Fe0.8 Li3.36 Mn3.2 O16 P4 -","- Fe0.8 Li3.36 Mn3.2 O16 P4 -","","","","Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F.","A structural study of the lithiophilite-sicklerite series Sample 3, yellow","The Canadian Mineralogist","2012","50","","843","854","10.3749/canmin.50.4.843","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015179","8.1483","","8.1483","","8.1483","","90","","90","","90","","541.005","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.608 Fe0.388 Mg1.002 O4 -","- Al12.864 Fe3.104 Mg8.016 O32 -","- Al12.864 Fe3.104 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 6141 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015182","13.409","","13.4051","","15.4852","","90.022","","90.021","","90.02","","2783.45","","","","","","","","","","","","Olympic Dam, Roxby Downs, Australia","2","P -1","-P 1","2","","","Roxbyite","- Cu29 S16 -","- Cu116 S64 -","- Cu116 S64 -","","","","Mumme, W. G.; Gable, R. W.; Petricek, V.","The crystal structure of roxbyite, Cu58S32","The Canadian Mineralogist","2012","50","","423","430","10.3749/canmin.50.2.423","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015183","8.1477","","8.1477","","8.1477","","90","","90","","90","","540.885","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.388 Mg O4 -","- Al12.88 Fe3.104 Mg8 O32 -","- Al12.88 Fe3.104 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015194","6.5518","","6.5518","","9.6503","","90","","90","","120","","358.751","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","- Ba2 O18 Si6 Ti2 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.28 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015198","12.514","","12.514","","5.034","","90","","90","","120","","682.71","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 1.39 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015202","8.1476","","8.1476","","8.1476","","90","","90","","90","","540.865","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.388 Mg1.001 O4 -","- Al12.872 Fe3.104 Mg8.008 O32 -","- Al12.872 Fe3.104 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015207","5.8279","","13.615","","6.3097","","90","","127.314","","90","","398.184","","","","","","","","","","","","Tsumeb, Namibia","5","P 1 21/m 1","-P 2yb","11","","","Bartelkeite","- Fe Ge3 H4 O10 Pb -","- Fe2 Ge6 H8 O20 Pb2 -","- Fe2 Ge6 H8 O20 Pb2 -","","","","Origlieri, M. J.; Yang, H.; Downs, R. T.; Posner, E. S.; Domanik, K. J.; Pinch, W. W.","The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite","American Mineralogist","2012","97","","1812","1815","10.2138/am.2012.4269","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015211","15.856","","15.856","","7.1079","","90","","90","","120","","1547.6","","","","","","","","","","","","pegmatite dikes near Sao Jose da Safira, Minas Gerais, Brazil","12","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 -","- Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 -","- Al21.69 B9 Ca0.18 F1.62 Fe1.26 H10.38 Li3.06 Mg0.18 Mn0.54 Na2.19 O91.38 Si18 -","3","0.166667","","Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V.","A single-crystal neutron and X-ray diffraction study of elbaite Note: X-ray data","Physics and Chemistry of Minerals","2012","39","","577","588","10.1007/s00269-012-0513-0","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015214","8.143","","8.143","","8.143","","90","","90","","90","","539.95","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.84 O4 Si0.93 -","- Mg14.72 O32 Si7.44 -","- Mg14.72 O32 Si7.44 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 736 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015218","8.1482","","8.1482","","8.1482","","90","","90","","90","","540.985","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","- Al12.872 Fe3.112 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015226","5.0687","","11.3579","","15.4004","","100.598","","90","","90","","871.474","","","","","","","","","","","","Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia","4","P 21/b 1 1","-P 2xab","14","","","Edgrewite","- Ca9 F0.96 O17.04 Si4 -","- Ca18 F1.92 O34.08 Si8 -","- Ca18 F1.92 O34.08 Si8 -","","","","Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S.","Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia","American Mineralogist","2012","97","","1998","2006","10.2138/am.2012.4161","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015242","11.1548","","11.1548","","10.5702","","90","","90","","120","","1139.04","","","","","","","","","","","","Bellerberg, near Kottenheim, Eastern Eifel area,","5","P 63/m","-P 6c","176","","","Kottenheimite","- Ca3 H30 O25.66 S1.82 Si -","- Ca3 H30 O25.66 S1.82 Si -","- Ca6 H60 O51.32 S3.64 Si2 -","2","0.166667","","Chukanov, N. V.; Britvin, S. N.; Van, K. V.; Mockel, S.; Zadov, A. E.","Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group from the Eifel area, Germany Rhineland-Palatinate, Germany","The Canadian Mineralogist","2012","50","","55","63","10.3749/canmin.50.1.55","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015245","15.987","","15.987","","7.163","","90","","90","","120","","1585.47","","","","","","","","","","","","Konigsalm, Moldanubian nappes, Lower Austria","15","R 3 m :H","R 3 -2""","160","","","Fluor-schorl","- Al6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009 -","- Al6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009 -","- Al19.773 B9.054 Ca0.15 F1.74 Fe5.688 H9.54 K0.03 Li0.207 Mg0.684 Mn0.864 Na2.28 O91.26 Si17.316 Ti0.36 Zn0.027 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK12","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015246","9.39","","13.11","","9.39","","90","","90","","90","","1155.94","","","","","","","","","","","","Wagholi quarry, Poona district, India","4","P n m a","-P 2ac 2n","62","","","Cavansite","- Ca O12.18 Si4 V -","- Ca4 O48.72 Si16 V4 -","- Ca4 O48.72 Si16 V4 -","","","","Danisi, R. M.; Armbruster, T.; Lazic, B.","In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 350 C","American Mineralogist","2012","97","","1874","1880","10.2138/am.2012.4228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015247","8.1115","","8.1115","","8.1115","","90","","90","","90","","533.708","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.8 O4 Si0.97 -","- Mg14.4 O32 Si7.76 -","- Mg14.4 O32 Si7.76 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K, split Si model","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015256","8.0853","","8.0853","","8.0853","","90","","90","","90","","528.553","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2.01 Cu0.01 Mg0.99 O4 -","- Al16.08 Cu0.08 Mg7.92 O32 -","- Al16.08 Cu0.08 Mg7.92 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl05b","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015258","3.533","","3.533","","3.533","","90","","90","","90","","44.099","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 15.58 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015259","10.604","","16.608","","20.647","","90","","98.848","","90","","3592.9","","","","","","","","","","","","Bachman mine, Hellertown, Northampton County, Pennsylvania, USA","5","P 1 21/n 1","-P 2yn","14","","","Matulaite","- Al7.29 Fe0.71 H42 O48 P6 -","- Al7.29 Fe0.71 H42 O48 P6 -","- Al29.16 Fe2.84 H168 O192 P24 -","4","1","","Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Spratt, J.; Favreau, G.","The crystal structure determination and redefinition of matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O","Mineralogical Magazine","2012","76","","517","534","10.1180/minmag.2012.076.3.05","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015264","4.065","","4.065","","12.631","","90","","90","","90","","208.717","","","","","","","","","","","","Merehead quarry, Somerset, England","4","I 4/m m m","-I 4 2","139","","","Rumseyite","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl2 F2 O2 Pb4 -","2","0.0625","","Turner, R. W.; Siidra, O. I.; Krivovichev, S. V.; Stanley, C. J.; Spratt, J.","Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides","Mineralogical Magazine","2012","76","","1247","1255","10.1180/minmag.2012.076.5.11","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015267","7.6638","","6.867","","14.5554","","90","","90","","90","","766.012","","","","","","","","","","","","the Tolbachik volcano, Kamchatka Peninsula, Russia","4","P n m a","-P 2ac 2n","62","","","Cupromolybdite","- Cu3 Mo1.94 O9 S0.06 -","- Cu12 Mo7.76 O36 S0.24 -","- Cu12 Mo7.76 O36 S0.24 -","","","","Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y.","Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia","European Journal of Mineralogy","2012","24","","749","757","10.1127/0935-1221/2012/0024-2221","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015268","15.723","","15.723","","7.068","","90","","90","","120","","1513.21","","","","","","","","","","","","synthetic at 400 C","7","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.64 B4.2 H3 Li0.36 Na0.76 O31 Si4.8 -","- Al8.64 B4.2 H3 Li0.36 Na0.76 O31 Si4.8 -","- Al25.92 B12.6 H9 Li1.08 Na2.28 O93 Si14.4 -","3","0.166667","","Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R.","Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-11","American Mineralogist","2012","97","","1591","1597","10.2138/am.2012.4060","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015271","5.34","","5.34","","88.01","","90","","90","","120","","2173.43","","","","","","","","","","","","Monte Avanza mine, Udine Province, Italy","6","R -3 :H","-R 3","148","","","Zincalstibite","- Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68 -","- Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68 -","- Al7.38 Cu8.58 H108 O108 Sb9 Zn11.04 -","3","0.166667","","Mills, S. J.; Christy, A. G.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V.","Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type","Mineralogical Magazine","2012","76","","1337","1345","10.1180/minmag.2012.076.5.01","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015272","8.0867","","8.0867","","8.0867","","90","","90","","90","","528.827","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Cu0.24 Mg0.76 O4 -","- Al16 Cu1.92 Mg6.08 O32 -","- Al16 Cu1.92 Mg6.08 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl50bw","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015274","5.7321","","11.4998","","8.3163","","90","","90","","90","","548.194","","","","","","","","","","","","Synthetic","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg16 O32 Si8 -","- Mg16 O32 Si8 -","","","","Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.","High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 929 K","American Mineralogist","2012","97","","1582","1590","10.2138/am.2012.3992","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015281","16.0845","","5.477","","9.8785","","90","","90","","90","","870.245","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 5.145 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015284","12.447","","12.447","","5.006","","90","","90","","120","","671.662","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 2.33 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015285","8.086","","8.086","","8.086","","90","","90","","90","","528.69","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.9 O4 Si -","- Mg15.2 O32 Si8 -","- Mg15.2 O32 Si8 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 350 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015291","8.169","","8.169","","8.169","","90","","90","","90","","545.138","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","- Al11.688 Fe4.304 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 960 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015294","16.0796","","5.4721","","9.869","","90","","90","","90","","868.365","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 5.533 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015302","8.527","","7.971","","20.102","","90","","101.814","","90","","1337.36","","","","","","","","","","","","Barika Au-Ag deposit in the Azarbaijan Province, western Iran","4","P 1 21/c 1","-P 2ybc","14","","","Guettardite","- As Pb S4 Sb -","- As8 Pb8 S32 Sb8 -","- As8 Pb8 S32 Sb8 -","","","","Makovicky, E.; Topa, D.; Tajjedin, H.; Rastad, E.; Yaghubpur, A.","The crystal structure of guettardite, PbAsSbS4, and the twinnite-guettardite problem","The Canadian Mineralogist","2012","50","","253","265","10.3749/canmin.50.2.253","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015304","8.0857","","8.0857","","8.0857","","90","","90","","90","","528.631","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Cu0.12 Mg0.88 O4 -","- Al16 Cu0.96 Mg7.04 O32 -","- Al16 Cu0.96 Mg7.04 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl30bw","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015315","8.8897","","5.7308","","10.101","","90","","115.166","","90","","465.751","","","","","","","","","","","","Askagen pegmatite, Varmland, Sweden","8","P 1 21/m 1","-P 2yb","11","","","Allanite-(Nd)","- Al2.036 Ca1.16 Fe0.964 H Mn0.128 Nd0.712 O13 Si3 -","- Al4.072 Ca2.32 Fe1.928 H2 Mn0.256 Nd1.424 O26 Si6 -","- Al4.072 Ca2.32 Fe1.928 H2 Mn0.256 Nd1.424 O26 Si6 -","","","","Skoda, R.; Cempirek, J.; Filip, J.; Novak, M.; Veselovsky, F.; Ctvrtlik, R.","Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden","American Mineralogist","2012","97","","983","988","10.2138/am.2012.3936","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015316","12.625","","12.625","","5.122","","90","","90","","120","","707.022","","","","","","","","","","","","Tamazeght","7","P 63","P 6c","173","","","Cancrinite","- C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18 -","- C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18 -","- C1.534 H3.996 Al5.64 Ca1.2 Na6.31 O30.6 Si6.36 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz3/1","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015320","4.9615","","7.9629","","5.7428","","90","","90","","90","","226.886","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, high-temperature experiment","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015321","3.485","","3.485","","3.485","","90","","90","","90","","42.326","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 24.19 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015325","12.1881","","3.7726","","6.5033","","90","","107.7","","90","","284.872","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","","- Al0.76 Cr0.24 Nb O4 -","- Al3.04 Cr0.96 Nb4 O16 -","- Al3.04 Cr0.96 Nb4 O16 -","","","","Ardit, M.; Dondi, M.; Cruciani, G.","Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N25","American Mineralogist","2012","97","","910","917","10.2138/am.2012.3977","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015333","10.1299","","3.0723","","4.676","","90","","90","","90","","145.527","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- F H Mg O -","- F4 H4 Mg4 O4 -","- F4 H4 Mg4 O4 -","","","","Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D.","Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures","Mineralogical Magazine","2012","76","","25","36","10.1180/minmag.2012.076.1.25","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015335","3.8357","","3.8357","","6.3002","","90","","90","","120","","80.274","","","","","","","","","","","","Zaklodzie, Poland","5","P 63 m c","P 6c -2c","186","","","Buseckite","- Fe0.46 Mg0.04 Mn0.16 S Zn0.32 -","- Fe0.92 Mg0.08 Mn0.32 S2 Zn0.64 -","- Fe0.92 Mg0.08 Mn0.32 S2 Zn0.64 -","","","","Ma, C.; Beckett, J. R.; Rossman, G. R.","Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite","American Mineralogist","2012","97","","1226","1233","10.2138/am.2012.4110","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015340","4.8623","","4.2972","","2.9567","","90","","90","","90","","61.778","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P 21 n m","P -2 2ac","31","","","Guyanaite","- Cr H O2 -","- Cr2 H2 O4 -","- Cr2 H2 O4 -","","","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015341","8.103","","8.103","","8.103","","90","","90","","90","","532.032","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.92 O4 Si -","- Mg15.36 O32 Si8 -","- Mg15.36 O32 Si8 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 537 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015352","8.1466","","8.1466","","8.1466","","90","","90","","90","","540.666","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.391 Mg O4 -","- Al12.872 Fe3.128 Mg8 O32 -","- Al12.872 Fe3.128 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015358","10.9404","","13.3719","","3.6973","","90","","90","","90","","540.893","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 6.62 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015363","8.0931","","8.0931","","8.0931","","90","","90","","90","","530.084","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.9 O4 Si -","- Mg15.2 O32 Si8 -","- Mg15.2 O32 Si8 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 443 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015364","10.80498","","10.25458","","7.28606","","90","","109.117","","90","","762.779","","","","","","","","","","","","the nepheline syenites of the Los Archipelago, Guinea","10","P 1 21 1","P 2yb","4","","","Wohlerite","- Ca3.841 F2.5 Fe0.402 Mn0.116 Na1.733 Nb0.461 O15.5 Si4 Ti0.539 Zr0.884 -","- Ca7.682 F5 Fe0.804 Mn0.232 Na3.466 Nb0.922 O31 Si8 Ti1.078 Zr1.768 -","- Ca7.682 F5 Fe0.804 Mn0.232 Na3.466 Nb0.922 O31 Si8 Ti1.078 Zr1.768 -","","","","Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.","Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea","The Canadian Mineralogist","2012","50","","593","609","10.3749/canmin.50.3.593","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015366","8.1472","","8.1472","","8.1472","","90","","90","","90","","540.786","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","- Al12.872 Fe3.112 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015369","8.09014","","8.09014","","8.09014","","90","","90","","90","","529.503","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 Co0.25 O4 Zn0.75 -","- Al16 Co2 O32 Zn6 -","- Al16 Co2 O32 Zn6 -","","","","Ardit, M.; Cruciani, G.; Dondi, M.","Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.025, Co content = 0.25 apfu","American Mineralogist","2012","97","","1394","1401","10.2138/am.2012.4093","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015403","8.876","","12.887","","6.272","","90","","106.85","","90","","686.622","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.82 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015406","3.545","","3.545","","3.545","","90","","90","","90","","44.55","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 13.63 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015409","18.468","","18.468","","11.601","","90","","90","","120","","3426.62","","","","","","","","","","","","Nidym River, East Siberia, Russia","5","R 3 :H","R 3","146","","","Analcime","- Al8 H1.12 Na7.69 O48.56 Si16 -","- Al7.99992 H1.12 Na7.69 O48.56 Si16.0001 -","- Al23.9998 H3.36 Na23.07 O145.68 Si48.0002 -","3","0.333333","","Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V.","The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0.9 GPa","Mineralogical Magazine","2012","76","","129","142","10.1180/minmag.2012.076.1.129","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9015425","4.9596","","7.9644","","5.7416","","90","","90","","90","","226.795","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015429","8.1697","","8.1697","","8.1697","","90","","90","","90","","545.278","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.463 Fe0.537 Mg O4 -","- Al11.704 Fe4.296 Mg8 O32 -","- Al11.704 Fe4.296 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, Untreated","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015442","4.674","","4.674","","12.941","","90","","90","","120","","244.836","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 55.1 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9015445","3.557","","3.557","","3.557","","90","","90","","90","","45.004","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 11.66 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015449","8.1479","","8.1479","","8.1479","","90","","90","","90","","540.925","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg1.002 O4 -","- Al12.88 Fe3.12 Mg8.016 O32 -","- Al12.88 Fe3.12 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 30 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015465","9.003","","12.919","","6.318","","90","","106.87","","90","","703.221","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.14 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015469","13.7249","","13.527","","13.6938","","90","","90.18","","90","","2542.33","","","","","","","","","","","","Nidym River, East Siberia, Russia","4","I 1 2/a 1","-I 2ya","15","","","Analcime","- Al Na O6 Si2 -","- Al15.9998 Na16 O96 Si32.0002 -","- Al15.9998 Na16 O96 Si32.0002 -","","","","Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V.","The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0 GPa","Mineralogical Magazine","2012","76","","129","142","10.1180/minmag.2012.076.1.129","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015470","8.1469","","8.1469","","8.1469","","90","","90","","90","","540.726","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg O4 -","- Al12.88 Fe3.12 Mg8 O32 -","- Al12.88 Fe3.12 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015472","9.6581","","19.5833","","10.5027","","90","","90","","90","","1986.45","","","","","","","","","","","","Otto Mountain near Baker, California, USA","5","C 2 2 21","C 2c 2","20","","","Schieffelinite","- H12 O21.5 Pb5 S0.5 Te3 -","- H12 O21.5 Pb5 S0.5 Te3 -","- H48 O86 Pb20 S2 Te12 -","4","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite","American Mineralogist","2012","97","","212","219","10.2138/am.2011.3909","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015485","4.0307","","22.7011","","54.6145","","90","","90","","90","","4997.3","","","","","","","","","","","","Felbertal, Salzburg Province, Austria","5","P m c n","-P 2n 2a","62","","","Eclarite","- Bi13.604 Cu0.842 Fe0.45 Pb7.25 S28 -","- Bi54.416 Cu3.368 Fe1.8 Pb29 S112 -","- Bi54.416 Cu3.368 Fe1.8 Pb29 S112 -","","","","Topa, D.; Makovicky, E.","Eclarite: New data and interpretations","The Canadian Mineralogist","2012","50","","371","386","10.3749/canmin.50.2.371","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015497","7.832","","8.606","","10.755","","95.563","","95.88","","116.79","","635.282","","","","","","","","","","","","Lengenbach quarry, Binn valley, Switzerland","5","P -1","-P 1","2","","","Debattistiite","- Ag9 As6 Hg0.5 S12.14 Te1.86 -","- Ag9 As6 Hg0.5 S12.14 Te1.86 -","- Ag9 As6 Hg0.5 S12.14 Te1.86 -","1","0.5","","Guastoni, A.; Bindi, L.; Nestola, F.","Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure","Mineralogical Magazine","2012","76","","743","750","10.1180/minmag.2012.076.3.21","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015501","5.9756","","7.6002","","5.4471","","84.2892","","90.492","","87.9958","","245.988","","","","","","","","","","","","Tsumeb, Namibia","5","P -1","-P 1","2","","","Davidlloydite","- As2 Cu0.4 H8 O12 Zn2.6 -","- As2 Cu0.4 H8 O12 Zn2.6 -","- As2 Cu0.4 H8 O12 Zn2.6 -","","","","Hawthorne, F. C.; Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Back, M. E.; Tait, K. T.","Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure","Mineralogical Magazine","2012","76","","45","57","10.1180/minmag.2012.076.1.45","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015502","11.2984","","11.2984","","9.6051","","90","","90","","120","","1061.86","","","","","","","","","","","","San Benito, California, USA","4","P 3 1 c","P 3 -2c","159","","","Benitoite","- Ba O9 Si3 Ti -","- Ba6 O54 Si18 Ti6 -","- Ba6 O54 Si18 Ti6 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 6.14 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015514","8.0902","","8.0902","","8.0902","","90","","90","","90","","529.514","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co0.34 Mg0.66 O4 -","- Al16 Co2.72 Mg5.28 O32 -","- Al16 Co2.72 Mg5.28 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl20","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015524","6.95802","","8.48024","","5.39754","","90","","90","","90","","318.486","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Anglesite","- O4 Pb S -","- O16 Pb4 S4 -","- O16 Pb4 S4 -","","","","Antao, S. M.","Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups","American Mineralogist","2012","97","","661","665","10.2138/am.2012.3905","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015529","3.531","","3.531","","3.531","","90","","90","","90","","44.024","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 13.36 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015537","12.322","","12.322","","4.905","","90","","90","","120","","644.959","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 5.00 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015539","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.457 Fe0.544 Mg1.001 O4 -","- Al11.656 Fe4.352 Mg8.008 O32 -","- Al11.656 Fe4.352 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015551","8.0858","","8.0858","","8.0858","","90","","90","","90","","528.651","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Cu0.06 Mg0.94 O4 -","- Al16 Cu0.48 Mg7.52 O32 -","- Al16 Cu0.48 Mg7.52 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl15a2","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015553","12.683","","12.683","","5.19","","90","","90","","120","","723.006","","","","","","","","","","","","Kovdor","7","P 63","P 6c","173","","","Cancrinite","- C0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33 -","- C0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33 -","- C0.874 H3.996 Al5.34 K0.3 Na6.86 O28.62 Si6.66 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd15/1","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015554","5.1182","","5.1182","","23.1785","","90","","90","","120","","525.836","","","","","","","","","","","","Biraya Fe-REE deposit, Irkutsk, Russia","12","P 63/m m c","-P 6c 2c","194","","","Cordylite-(La)","- C4 H0.03 Ba Ca0.39 Ce0.66 F0.89 La0.78 Na0.61 Nd0.08 O12.03 Pr0.02 Sr0.44 -","- C4 H0.03 Ba Ca0.39 Ce0.66 F0.89 La0.78 Na0.61 Nd0.08 O12.03 Pr0.02 Sr0.44 -","- C8 H0.06 Ba2 Ca0.78 Ce1.32 F1.78 La1.56 Na1.22 Nd0.16 O24.06 Pr0.04 Sr0.88 -","2","0.0833333","","Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Konev, A. A.; Raudsepp, M.","Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 1","The Canadian Mineralogist","2012","50","","1281","1290","10.3749/canmin.50.5.1281","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015577","8.1699","","8.1699","","8.1699","","90","","90","","90","","545.318","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","- Al11.688 Fe4.304 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 60 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015589","8.0914","","8.0914","","8.0914","","90","","90","","90","","529.75","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co0.48 Mg0.52 O4 -","- Al16 Co3.84 Mg4.16 O32 -","- Al16 Co3.84 Mg4.16 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl34","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015592","14.15","","10.395","","7.529","","90","","90","","90","","1107.44","","","","","","","","","","","","Jaguaracu, Minas Gerais, Brazil","12","C m c m","-C 2c 2","63","","","Carlosbarbosaite","- Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44 -","- Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44 -","- Al0.4 Ca1.12 Ce0.08 Fe0.4 H24 Nb3.2 Nd0.08 O56 Si1.04 Ta2.08 Ti0.88 U5.76 -","4","0.25","","Atencio, D.; Roberts, A. C.; Cooper, M. A.; Menezes, L. A. D.; Coutinho, J. M. V.; Stirling, J. A. R.; Venance, K. E.; Ball, N. A.; Moffatt, E.; Chaves, M. L. S. C.; Brandao, P. R. G.; Romano, A. W.","Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure","Mineralogical Magazine","2012","76","","75","90","10.1180/minmag.2012.076.1.75","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015594","12.032","","12.032","","12.032","","90","","90","","90","","1741.86","","","","","","","","","","","","Ettringer Bellerberg volcano near Mayen, Eifel district, Germany","5","I -4 3 d","I -4bd 2c 3","220","","","Mayenite","- Al6.772 Ca6 Cl0.624 Fe0.228 O16.748 -","- Al27.088 Ca24 Cl2.496 Fe0.912 O66.992 -","- Al27.088 Ca24 Cl2.496 Fe0.912 O66.992 -","","","","Galuskin, E. V.; Kusz, J.; Armbruster, T.; Bailau, R.; Galuskina, I. O.; Ternes, B.; Murashko, M.","A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg volcano near Mayen, Eifel district, Germany","Mineralogical Magazine","2012","76","","707","716","10.1180/minmag.2012.076.3.18","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015600","5.0914","","8.3519","","5.9901","","90","","90","","90","","254.716","","","","","","","","","","","","Dreisteinfurt, Westphalia, Germany","4","P m c n","-P 2n 2a","62","","","Strontianite","- C Ca0.147 O3 Sr0.853 -","- C4 Ca0.588 O12 Sr3.412 -","- C4 Ca0.588 O12 Sr3.412 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015610","8.0816","","8.0816","","8.0816","","90","","90","","90","","527.828","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.9 O4 Si0.99 -","- Mg15.2 O32 Si7.92 -","- Mg15.2 O32 Si7.92 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 303 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015611","4.736","","10.432","","6.088","","90","","90","","90","","300.783","","","","","","","","","","","","Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China","5","P b n m","-P 2c 2ab","62","","","Lithiophilite","- Fe0.183 Li0.91 Mn0.8 O4 P -","- Fe0.732 Li3.64 Mn3.2 O16 P4 -","- Fe0.732 Li3.64 Mn3.2 O16 P4 -","","","","Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F.","A structural study of the lithiophilite-sicklerite series Sample 1, colorless","The Canadian Mineralogist","2012","50","","843","854","10.3749/canmin.50.4.843","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015620","8.08514","","8.08514","","8.08514","","90","","90","","90","","528.521","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al16 O32 Zn8 -","- Al16 O32 Zn8 -","","","","Ardit, M.; Cruciani, G.; Dondi, M.","Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.000, Co content = 0.00 apfu","American Mineralogist","2012","97","","1394","1401","10.2138/am.2012.4093","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015624","6.9806","","6.9806","","17.425","","90","","90","","120","","735.341","","","","","","","","","","","","Hungary","6","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.916 H6.117 K0.876 Na0.071 O14.039 S2 -","- Al8.748 H18.351 K2.628 Na0.213 O42.117 S6 -","- Al8.748 H18.351 K2.628 Na0.213 O42.117 S6 -","","","","Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.","Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 200 C","Mineralogical Magazine","2012","76","","613","623","10.1180/minmag.2012.076.3.12","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015625","15.4172","","4.0582","","20.8071","","90","","98.031","","90","","1289.05","","","","","","","","","","","","Kudriavy Volcano, Iturup Island, Kuriles, Russia","6","P 1 21/m 1","-P 2yb","11","","","Cannizzarite","- Bi6.188 Cd0.812 In0.208 Pb3.792 S13.539 Se0.461 -","- Bi12.376 Cd1.624 In0.416 Pb7.584 S27.078 Se0.922 -","- Bi12.376 Cd1.624 In0.416 Pb7.584 S27.078 Se0.922 -","","","","Borisov, S. V.; Pervukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Bryzgalov, I. A.; Mozgova, N. N.; Chaplygin, I. V.","The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano, Iturup Island, Kuriles, Russia","The Canadian Mineralogist","2012","50","","387","395","10.3749/canmin.50.2.387","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015626","8.0851","","8.0851","","8.0851","","90","","90","","90","","528.514","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co0.07 Mg0.93 O4 -","- Al16 Co0.56 Mg7.44 O32 -","- Al16 Co0.56 Mg7.44 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl0.5","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015647","8.1687","","8.1687","","8.1687","","90","","90","","90","","545.078","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","- Al11.68 Fe4.312 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015653","4.8152","","4.8152","","13.242","","90","","90","","120","","265.897","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 24.1 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9015654","16.0271","","5.4473","","9.8119","","90","","90","","90","","856.622","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 7.766 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015659","16.0539","","5.4609","","9.8437","","90","","90","","90","","862.985","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 6.511 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015664","8.1707","","8.1707","","8.1707","","90","","90","","90","","545.479","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.537 Mg1.003 O4 -","- Al11.672 Fe4.296 Mg8.024 O32 -","- Al11.672 Fe4.296 Mg8.024 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015670","11.1063","","13.6291","","3.7249","","90","","90","","90","","563.834","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 3.72 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015677","6.5691","","8.6869","","7.0924","","90","","114.127","","90","","369.372","","","","","","","","","","","","Verkhnee Espe deposit, Kazakhstan","20","C 1 2/c 1","-C 2yc","15","","","Natrotitanite","- Ca0.32 Ce0.01 Dy0.03 Er0.03 F0.17 Fe0.01 Gd0.01 Ho0.01 Mn0.01 Na0.39 Nb0.02 Nd0.01 O4.83 Si Sn0.01 Ti0.94 Tm0.01 V0.01 Y0.15 Yb0.03 -","- Ca1.28 Ce0.04 Dy0.12 Er0.12 F0.68 Fe0.04 Gd0.04 Ho0.04 Mn0.04 Na1.56 Nb0.08 Nd0.04 O19.32 Si4 Sn0.04 Ti3.76 Tm0.04 V0.04 Y0.6 Yb0.12 -","- Ca1.28 Ce0.04 Dy0.12 Er0.12 F0.68 Fe0.04 Gd0.04 Ho0.04 Mn0.04 Na1.56 Nb0.08 Nd0.04 O19.32 Si4 Sn0.04 Ti3.76 Tm0.04 V0.04 Y0.6 Yb0.12 -","","","","Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Hawthorne, F. C.","Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district, Kazakhstan: description and crystal structure","Mineralogical Magazine","2012","76","","37","44","10.1180/minmag.2012.076.1.37","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015687","3.494","","3.494","","3.494","","90","","90","","90","","42.655","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 22.44 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015690","9.3687","","9.3687","","6.8739","","90","","90","","120","","522.507","","","","","","","","","","","","Ipira, Bahia Province, Brazil","9","P 63/m","-P 6c","176","","","Fluorapatite","- Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 -","- Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 -","- Ca9.948 Cl0.12 F1.52 H0.36 Na0.052 O24.36 P5.688 S0.132 Si0.18 -","2","0.166667","","Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J.","A multi-domain gem-grade Brazilian apatite Note: single-crystal X-ray at T = 100 K","American Mineralogist","2012","97","","1574","1581","10.2138/am.2012.4069","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015692","4.714","","4.714","","13.029","","90","","90","","120","","250.738","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 44.8 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9015703","11.376","","11.505","","6.5568","","90","","90","","90","","858.16","","","","","","","","","","","","Mina Asuncion, Atacama Desert, Chile","5","P n n 2","P 2 -2n","34","","","Leucostaurite","- B10 Cl2 H2 O19 Pb4 -","- B10 Cl2 H2 O19 Pb4 -","- B20 Cl4 H4 O38 Pb8 -","2","0.5","","Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G.","Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE","American Mineralogist","2012","97","","1206","1212","10.2138/am.2012.4082","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015705","8.1457","","8.1457","","8.1457","","90","","90","","90","","540.487","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.611 Fe0.388 Mg O4 -","- Al12.888 Fe3.104 Mg8 O32 -","- Al12.888 Fe3.104 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015706","11.1178","","11.1178","","10.5381","","90","","90","","120","","1128.06","","","","","","","","","","","","Graulay basalt quarry, Hillesheim, Eifel Mountains, Germany","6","P 63","P 6c","173","","","Hielscherite","- C0.39 Al0.3 Ca3 O25 S1.57 Si0.7 -","- C0.78 Al0.6 Ca6 O42 Os8 S3.14 Si1.4 -","- C0.78 Al0.6 Ca6 O42 Os8 S3.14 Si1.4 -","","","","Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.","The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3049, powder","Mineralogical Magazine","2012","76","","1133","1152","10.1180/minmag.2012.076.5.06","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015709","8.1693","","8.1693","","8.1693","","90","","90","","90","","545.198","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","- Al11.68 Fe4.312 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015711","9.3272","","13.566","","6.5903","","90","","106.433","","90","","799.826","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015716","8.1685","","8.1685","","8.1685","","90","","90","","90","","545.038","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","- Al11.688 Fe4.304 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015717","4.9541","","7.9494","","5.7186","","90","","90","","90","","225.211","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015730","26.011","","15.048","","15.513","","90","","90.4","","90","","6071.85","","","","","","","","","","","","Odenwald, southwest Germany","5","C 1 2 1","C 2y","5","","","Fettelite","- Ag16 As4 Fe0.526 Hg0.474 S15 -","- Ag128 As32 Fe4.208 Hg3.792 S120 -","- Ag128 As32 Fe4.208 Hg3.792 S120 -","","","","Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S.","A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124","Mineralogical Magazine","2012","76","","551","566","10.1180/minmag.2012.076.3.07","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015752","3.509","","3.509","","3.509","","90","","90","","90","","43.207","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 19.70 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015756","8.0841","","8.0841","","8.0841","","90","","90","","90","","528.318","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu0.78 Mg0.22 O4 -","- Al16 Cu6.24 Mg1.76 O32 -","- Al16 Cu6.24 Mg1.76 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl95b","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015759","8.146","","8.146","","8.146","","90","","90","","90","","540.547","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.39 Mg O4 -","- Al12.88 Fe3.12 Mg8 O32 -","- Al12.88 Fe3.12 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 93 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015763","3.5498","","3.5498","","6.1573","","90","","90","","90","","77.589","","","","","","","","","","","","Synthetic","3","P 4/n m m :2","-P 4a 2a","129","","","Zaccariniite","- As Ni Rh -","- As2 Ni2 Rh2 -","- As2 Ni2 Rh2 -","","","","Vymazalova, A.; Laufek, F.; Drabek, M.; Stanley, C. J.; Baker, R. J.; Bermejo, R.; Garuti, G.; Thalhammer, O.; Proenza, J. A.; Longo, F.","Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic","The Canadian Mineralogist","2012","50","","1321","1329","10.3749/canmin.50.5.1321","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015764","9.4746","","13.262","","9.605","","90","","90","","90","","1206.89","","","","","","","","","","","","Wagholi quarry, Poona district, India","4","P n m a","-P 2ac 2n","62","","","Cavansite","- Ca O13.014 Si4 V -","- Ca4 O52.056 Si16 V4 -","- Ca4 O52.056 Si16 V4 -","","","","Danisi, R. M.; Armbruster, T.; Lazic, B.","In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 175 C","American Mineralogist","2012","97","","1874","1880","10.2138/am.2012.4228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015770","15.856","","15.856","","7.1079","","90","","90","","120","","1547.6","","","","","","","","","","","","pegmatite dikes near Sao Jose da Safira, Minas Gerais, Brazil","12","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 -","- Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 -","- Al21.69 B9 Ca0.18 F1.62 Fe1.26 H10.38 Li3.06 Mg0.18 Mn0.54 Na2.19 O91.38 Si18 -","3","0.166667","","Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V.","A single-crystal neutron and X-ray diffraction study of elbaite Note: neutron data","Physics and Chemistry of Minerals","2012","39","","577","588","10.1007/s00269-012-0513-0","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015779","11.5826","","11.5825","","11.5826","","90","","90","","90","","1553.87","","","","","","","","","","","","inclusion in diamond, Jericho kimberlite, Slave Craton, Canada","7","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 -","- Al15.84 Ca5.52 Cr0.16 Fe8.64 Mg9.84 O96 Si24 -","- Al15.84 Ca5.52 Cr0.16 Fe8.64 Mg9.84 O96 Si24 -","","","","Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M.","In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: uncorrected for pressure inside the diamond","European Journal of Mineralogy","2012","24","","599","606","10.1127/0935-1221/2012/0024-2212","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015782","8.1705","","8.1705","","8.1705","","90","","90","","90","","545.439","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.537 Mg1.001 O4 -","- Al11.688 Fe4.296 Mg8.008 O32 -","- Al11.688 Fe4.296 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015784","15.9461","","15.9461","","7.138","","90","","90","","120","","1571.87","","","","","","","","","","","","Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy","12","R 3 m :H","R 3 -2""","160","","","Tsilaisite","- Al7.14 B3.06 Ca0.02 F0.41 H6.39 K0.01 Li0.54 Mn1.341 Na0.67 O30.59 Si5.94 Ti0.039 -","- Al7.14 B3.06 Ca0.02 F0.41 H3.39 K0.01 Li0.54 Mn1.341 Na0.67 O30.59 Si5.94 Ti0.039 -","- Al21.42 B9.18 Ca0.06 F1.23 H10.17 K0.03 Li1.62 Mn4.023 Na2.01 O91.77 Si17.82 Ti0.117 -","3","0.166667","","Bosi, F.; Skogby, H.; Agrosì G; Scandale, E.","Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the standard tourmaline model","American Mineralogist","2012","97","","989","994","10.2138/am.2012.4019","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015797","9.967","","9.355","","8.921","","90","","102.52","","90","","812.025","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","","- As S -","- As16 S16 -","- As16 S16 -","","","","Zoppi, M.; Pratesi, G.","The dual behavior of the beta-As4S4 altered by light","American Mineralogist","2012","97","","890","896","10.2138/am.2012.3968","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015800","16.1121","","16.1121","","7.3701","","90","","90","","120","","1656.95","","","","","","","","","","","","Pereval marble quarry, Sludyanka, Lake Baikal, Russia","11","R 3 m :H","R 3 -2""","160","","","Oxy-chromium-dravite","- Al0.798 B3 Cr5.322 F0.46 H2.67 Mg2.073 Na O30.54 Si5.898 Ti0.039 V0.87 -","- Al0.798 B3 Cr5.322 F0.46 H2.67 Mg2.073 Na O30.54 Si5.898 Ti0.039 V0.87 -","- Al2.394 B9 Cr15.966 F1.38 H8.01 Mg6.219 Na3 O91.62 Si17.694 Ti0.117 V2.61 -","3","0.166667","","Bosi, F.; Reznitskii, L.; Skogby, H.","Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup","American Mineralogist","2012","97","","2024","2030","10.2138/am.2012.4210","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015801","8.6877","","8.7164","","8.9589","","95.964","","99.155","","117.318","","582.847","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","","- Cs H5 O12 Se U2 -","- Cs H5 O12 Se U2 -","- Cs2 H10 O24 Se2 U4 -","2","1","","Wylie, E. M.; Burns, P. C.","Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 3","The Canadian Mineralogist","2012","50","","147","157","10.3749/canmin.50.1.147","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015806","5.7105","","5.7105","","27.676","","90","","90","","120","","781.596","","","","","","","","","","","","central Sor Rondane Mountains, East Antarctica","6","P 63 m c","P 6c -2c","186","","","Magnesiohogbomite-2N4S","- Al11 Fe0.783 H Mg4.217 O24 Ti -","- Al11 Fe0.783 H Mg4.217 O24 Ti -","- Al22 Fe1.566 H2 Mg8.434 O48 Ti2 -","2","0.166667","","Shimura, T.; Akai, J.; Lazic, B.; Armbruster, T.; Shimizu, M.; Kamei, A.; Tsukada, K.; Owada, M.; Yuhara, M.","Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, East Antarctica","American Mineralogist","2012","97","","268","280","10.2138/am.2012.3827","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015808","9.6329","","13.6606","","9.7949","","90","","90","","90","","1288.92","","","","","","","","","","","","Wagholi quarry, Poona district, India","5","P n m a","-P 2ac 2n","62","","","Cavansite","- Ca H8 O15 Si4 V -","- Ca4 H32 O60 Si16 V4 -","- Ca4 H32 O60 Si16 V4 -","","","","Danisi, R. M.; Armbruster, T.; Lazic, B.","In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: room temperature","American Mineralogist","2012","97","","1874","1880","10.2138/am.2012.4228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015809","18.204","","8.81","","5.1731","","90","","90","","90","","829.648","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.22(3) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015811","4.6971","","11.8149","","20.2267","","90","","90","","90","","1122.5","","","","","","","","","","","","Hartmannsdorf quarry, 12 km northwest of Chemnitz in Saxony, Germany","6","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.81 As0.093 B O17.884 Sb0.023 Si2.884 -","- Al27.24 As0.3724 B4 O71.5352 Sb0.0932 Si11.5352 -","- Al27.24 As0.3724 B4 O71.5352 Sb0.0932 Si11.5352 -","","","","Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.","The crystal chemistry of As- and Sb-bearing dumortierite Sample: D21","The Canadian Mineralogist","2012","50","","855","872","10.3749/canmin.50.4.855","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015830","15.02","","6.959","","10.137","","90","","111.74","","90","","984.199","","","","","","","","","","","","Hagendorf-Sud granitic pegmatite, Germany","9","P 1 2/a 1","-P 2ya","13","","","Whiteite-(CaMnMn)","- Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07 -","- Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07 -","- Al3.68 Ca1.86 Fe0.32 H36 Mg0.08 Mn5.92 O52 P8 Zn0.14 -","2","0.5","","Yakovenchuk, V. N.; Keck, E.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Chernyatieva, A. P.; Ivanyuk, G. Y.","Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany","Mineralogical Magazine","2012","76","","2761","2771","10.1180/minmag.2012.076.7.09","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015845","8.1703","","8.1703","","8.1703","","90","","90","","90","","545.399","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.537 Mg1.001 O4 -","- Al11.68 Fe4.296 Mg8.008 O32 -","- Al11.68 Fe4.296 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015852","19.233","","12.633","","8.476","","90","","90.08","","90","","2059.42","","","","","","","","","","","","Uchucchacua, Lima Department, Peru","6","P 1 21/n 1","-P 2yn","14","","","Menchettiite","- Ag As1.89 Mn1.76 Pb2.12 S12 Sb3.23 -","- Ag4 As7.56 Mn7.04 Pb8.48 S48 Sb12.92 -","- Ag4 As7.56 Mn7.04 Pb8.48 S48 Sb12.92 -","","","","Bindi, L.; Keutsch, F. N.; Bonazzi, P.","Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model I","American Mineralogist","2012","97","","440","446","10.2138/am.2012.3944","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015854","14.8866","","11.088","","15.056","","90","","90","","90","","2485.18","","","","","","","","","","","","Chuquicamata mine, Antofagasta, Chile","6","P n m b","-P 2bc 2bc","53","","","Obradovicite-NaNa","- As2 Fe3 H27.12 Mo8 Na3.52 O50.56 -","- As2 Fe3 H27.12 Mo8 Na3.52 O50.56 -","- As4 Fe6 H54.24 Mo16 Na7.04 O101.12 -","2","0.25","","Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W.","The heteropolymolybdate family: structural relations, nomenclature scheme and new species","Mineralogical Magazine","2012","76","","1175","1207","10.1180/minmag.2012.076.5.09","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015858","5.7016","","11.4427","","8.2491","","90","","90","","90","","538.185","","","","","","","","","","","","Synthetic","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg16 O32 Si8 -","- Mg16 O32 Si8 -","","","","Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.","High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 297 K","American Mineralogist","2012","97","","1582","1590","10.2138/am.2012.3992","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015859","9.9448","","18.0171","","5.2829","","90","","105.445","","90","","912.387","","","","","","","","","","","","Langban, Sweden","11","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.898 Ca1.93 Fe0.05 H2 K0.06 Mg4.24 Mn0.57 Na1.8 O24 Pb0.134 Si6.372 -","- Al1.898 Ca1.93 Fe0.05 H2 K0.06 Mg4.24 Mn0.57 Na1.8 O24 Pb0.134 Si6.372 -","- Al3.796 Ca3.86 Fe0.1 H4 K0.12 Mg8.48 Mn1.14 Na3.6 O48 Pb0.268 Si12.744 -","2","0.25","","Halenius, U.; Bosi, F.","Cation ordering in Pb2±bearing, Mn3±rich pargasite from Langban, Sweden","American Mineralogist","2012","97","","1635","1640","10.2138/am.2012.4137","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015869","9.6646","","19.4962","","10.5101","","90","","90","","90","","1980.34","","","","","","","","","","","","Otto Mountain near Baker, California, USA","5","C 2 2 21","C 2c 2","20","","","Chromschieffelinite","- Cr0.5 H12 O21.5 Pb5 Te3 -","- Cr0.5 H12 O21.5 Pb5 Te3 -","- Cr2 H48 O86 Pb20 Te12 -","4","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite","American Mineralogist","2012","97","","212","219","10.2138/am.2011.3909","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015875","12.584","","12.584","","5.101","","90","","90","","120","","699.557","","","","","","","","","","","","Lovozero","6","P 63 m c","P 6c -2c","186","","","Cancrisilite","- C0.704 H2 Al2.28 Na3.702 O15.112 Si3.72 -","- C0.704 H2 Al2.28 Na3.702 O15.112 Si3.72 -","- C1.408 H4 Al4.56 Na7.404 O30.224 Si7.44 -","2","0.166667","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# u1631","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9015880","7.989","","9.321","","4.629","","97.34","","95.96","","108.59","","320.184","","","","","","","","","","","","Boa Vista pegmatite, near Galileia, Minas Gerais, Brazil","4","P -1","-P 1","2","","","Metavivianite","- Fe3 H14 O16 P2 -","- Fe3 H14 O16 P2 -","- Fe3 H14 O16 P2 -","1","0.5","","Chukanov, N. V.; Scholz, R.; Aksenov, S. M.; Rastsvetaeva, R. K.; Pekov, I. V.; Belakovskiy, D. I.; Krambrock, K.; Paniago, R. M.; Righi, A.; Martins, R. F.; Belotti, F. M.; Bermanec, V.","Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision","Mineralogical Magazine","2012","76","","725","741","10.1180/minmag.2012.076.3.20","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015886","4.9723","","7.9983","","5.7931","","90","","90","","90","","230.391","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 527 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015906","3.477","","3.477","","3.477","","90","","90","","90","","42.035","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 25.72 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015911","9.9176","","18.0057","","5.2865","","90","","105.395","","90","","910.155","","","","","","","","","","","","Akaishi mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan","11","C 1 2/m 1","-C 2y","12","","","Chromio-pargasite","- Al2.06 Ca1.88 Cr0.6 Fe0.14 H2 K0.07 Mg4.06 Na O24 Si6.12 Ti0.02 -","- Al2.06 Ca1.88 Cr0.6 Fe0.14 H2 K0.07 Mg4.06 Na O24 Si6.12 Ti0.02 -","- Al4.12 Ca3.76 Cr1.2 Fe0.28 H4 K0.14 Mg8.12 Na2 O48 Si12.24 Ti0.04 -","2","0.25","","Nishio-Hamane D; Ohnishi, M.; Minakawa, T.; Yamaura, J.; Saito, S.; Kadota, R.","Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2012","107","","1","7","10.2465/jmps.110715","","","","","","","","","","","","","","","","","","","","","has coordinates","287704","2023-11-21","13:46:11",""
"9015912","15.8887","","15.8887","","7.1202","","90","","90","","120","","1556.68","","","","","","","","","","","","Maigen, Moldanubian nappes, Lower Austria","11","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009 -","- Al7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009 -","- Al22.176 B9.126 Ca0.06 F2.43 H9.57 Li2.34 Mn1.953 Na2.52 O90.57 Si17.766 Ti0.027 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MAP12","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015913","15.9107","","15.9107","","7.1267","","90","","90","","120","","1562.42","","","","","","","","","","","","Blocherleitengraben, Moldanubian nappes, Lower Austria","14","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018 -","- Al8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018 -","- Al25.11 B18.18 Ca0.15 F2.37 Fe3.366 H18.09 K0.03 Li3.546 Mn2.88 Na2.67 O126.63 Si17.604 Ti0.234 Zn0.054 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLG1","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015930","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.457 Fe0.539 Mg1.002 O4 -","- Al11.656 Fe4.312 Mg8.016 O32 -","- Al11.656 Fe4.312 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015935","10.913","","12.427","","18.448","","90","","90.393","","90","","2501.78","","","","","","","","","","","","Synthetic","5","P 1 21/n 1","-P 2yn","14","","","","- Cs2 H4 O25 Se5 U4 -","- Cs2 H4 O25 Se5 U4 -","- Cs8 H16 O100 Se20 U16 -","4","1","","Wylie, E. M.; Burns, P. C.","Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 6","The Canadian Mineralogist","2012","50","","147","157","10.3749/canmin.50.1.147","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015942","4.9596","","7.9644","","5.7416","","90","","90","","90","","226.795","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, low-temperature experiment","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015946","8.1481","","8.1481","","8.1481","","90","","90","","90","","540.965","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.608 Fe0.389 Mg1.003 O4 -","- Al12.864 Fe3.112 Mg8.024 O32 -","- Al12.864 Fe3.112 Mg8.024 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015949","8.22","","8.951","","4.828","","90","","90","","90","","355.231","","","","","","","","","","","","mine #45 near Kopeysk, Chelyabinsk area, southern Urals, Russia","4","P 1 21 1","P 2yb","4","","","Svyatoslavite","- Al Ca0.5 O4 Si -","- Al4 Ca2 O16 Si4 -","- Al4 Ca2 O16 Si4 -","","","","Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P.","The crystal structure of svyatoslavite and evolution of complexity during crystallization of a CaAl2Si2O8 melt: A structural automata description","The Canadian Mineralogist","2012","50","","585","592","10.3749/canmin.50.3.585","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015959","16.1353","","5.5062","","9.9432","","90","","90","","90","","883.396","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = 2.945 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015967","4.8623","","4.2972","","2.9567","","90","","90","","90","","61.778","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P n n m","-P 2 2n","58","","","Guyanaite","- Cr H2 O2 -","- Cr2 H4 O4 -","- Cr2 H4 O4 -","","","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015970","9.027","","5.1999","","20.616","","90","","100.113","","90","","952.67","","","","","","","","","","","","Ordovician Armorican sandstones, Brittany, France","8","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.73 Ba0.01 H2.86 K0.465 N0.36 Na0.03 O11.236 Si3.128 -","- Al2.73 Ba0.01 H3.3 K0.465 N0.36 Na0.03 O11.236 Si3.128 -","- Al10.92 Ba0.04 H13.2 K1.86 N1.44 Na0.12 O44.944 Si12.512 -","4","0.5","","Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E.","Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample musc_4","American Mineralogist","2012","97","","1460","1468","10.2138/am.2012.4023","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015971","8.1477","","8.1477","","8.1477","","90","","90","","90","","540.885","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.608 Fe0.389 Mg1.001 O4 -","- Al12.864 Fe3.112 Mg8.008 O32 -","- Al12.864 Fe3.112 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016004","8.1465","","8.1465","","8.1465","","90","","90","","90","","540.646","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.391 Mg1.001 O4 -","- Al12.88 Fe3.128 Mg8.008 O32 -","- Al12.88 Fe3.128 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016007","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.54 Mg1.002 O4 -","- Al11.68 Fe4.32 Mg8.016 O32 -","- Al11.68 Fe4.32 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016021","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.455 Fe0.545 Mg O4 -","- Al11.64 Fe4.36 Mg8 O32 -","- Al11.64 Fe4.36 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016025","3.475","","3.475","","3.475","","90","","90","","90","","41.963","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 24.37 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016029","8.1705","","8.1705","","8.1705","","90","","90","","90","","545.439","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.54 Mg1.003 O4 -","- Al11.672 Fe4.32 Mg8.024 O32 -","- Al11.672 Fe4.32 Mg8.024 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016033","24.902","","5.3323","","17.246","","90","","94.281","","90","","2283.62","","","","","","","","","","","","Punta de Lobos, Chile","8","C 1 2/c 1","-C 2yc","15","","","Witzkeite","- Ca Fe0.05 H4 K4 N2 Na4 O24 S4 -","- Ca Fe0.05 H4 K4 N2 Na4 O24 S4 -","- Ca4 Fe0.2 H16 K16 N8 Na16 O96 S16 -","4","0.5","","Nestola, F.; Camara, F.; Chukanov, N. V.; Atencio, D.; Coutinho, J. M. V.; Contreira, R. R.; Farber, G.","Witzkeite: A new rare nitrate-sulphate mineral from a guano deposit at Punta de Lobos, Chile","American Mineralogist","2012","97","","1783","1787","10.2138/am.2012.4109","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9016034","9.024","","5.2055","","20.825","","90","","99.995","","90","","963.396","","","","","","","","","","","","Ordovician Armorican sandstones, Brittany, France","6","C 1 2/c 1","-C 2yc","15","","","Tobelite","- Al2.872 H3 K0.201 N0.78 O12 Si3.128 -","- Al2.872 H5.12 K0.201 N0.78 O12 Si3.128 -","- Al11.488 H20.48 K0.804 N3.12 O48 Si12.512 -","4","0.5","","Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E.","Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample tob_7","American Mineralogist","2012","97","","1460","1468","10.2138/am.2012.4023","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9016051","8.1704","","8.1704","","8.1704","","90","","90","","90","","545.419","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.463 Fe0.535 Mg1.002 O4 -","- Al11.704 Fe4.28 Mg8.016 O32 -","- Al11.704 Fe4.28 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 6 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016052","18.056","","8.692","","5.1192","","90","","90","","90","","803.421","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 4.19(4) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016053","11.07","","11.07","","10.4397","","90","","90","","120","","1107.93","","","","","","","","","","","","Zeilberg basalt quarry, Maroldsweisach, Franconia, Bavaria","5","P 63","P 6c","173","","","Thaumasite","- C0.5 Ca3 O25 S1.27 Si -","- C Ca6 O42 Os8 S2.54 Si2 -","- C Ca6 O42 Os8 S2.54 Si2 -","","","","Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.","The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample Zb-01, single crystal","Mineralogical Magazine","2012","76","","1133","1152","10.1180/minmag.2012.076.5.06","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016072","12.162","","3.7454","","6.491","","90","","107.64","","90","","281.772","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","","- Al0.94 Cr0.06 Nb O4 -","- Al3.76 Cr0.24 Nb4 O16 -","- Al3.76 Cr0.24 Nb4 O16 -","","","","Ardit, M.; Dondi, M.; Cruciani, G.","Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N06","American Mineralogist","2012","97","","910","917","10.2138/am.2012.3977","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016076","8.1712","","8.1712","","8.1712","","90","","90","","90","","545.579","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.539 Mg1.001 O4 -","- Al11.68 Fe4.312 Mg8.008 O32 -","- Al11.68 Fe4.312 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 6141 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016090","8.1476","","8.1476","","8.1476","","90","","90","","90","","540.865","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.39 Mg1.001 O4 -","- Al12.872 Fe3.12 Mg8.008 O32 -","- Al12.872 Fe3.12 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016092","12.7997","","17.9081","","8.2112","","90","","90","","90","","1882.16","","","","","","","","","","","","Angarf-Sud pegmatite, Morocco","6","C 2 2 21","C 2c 2","20","","","Angarfite","- Fe3.797 H12 Mg1.203 Na0.365 O24 P4 -","- Fe3.797 H12 Mg1.203 Na0.365 O24 P4 -","- Fe15.188 H48 Mg4.812 Na1.46 O96 P16 -","4","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V.","Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure","The Canadian Mineralogist","2012","50","","781","791","10.3749/canmin.50.4.781","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016095","8.873","","12.789","","6.251","","90","","107","","90","","678.349","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.53 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016096","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.391 Mg O4 -","- Al12.872 Fe3.128 Mg8 O32 -","- Al12.872 Fe3.128 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016100","11.4525","","5.0867","","21.9963","","90","","90","","90","","1281.4","","","","","","","","","","","","Birkhin massif, Baikal Lake area, North Caucasus, Russia","3","I 2 c m","I -2c 2","46","","","Kilchoanite","- Ca3 O7 Si2 -","- Ca24 O56 Si16 -","- Ca24 O56 Si16 -","","","","Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M.","Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus","American Mineralogist","2012","97","","503","512","10.2138/am.2012.3970","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016101","15.843","","15.843","","7.1051","","90","","90","","120","","1544.46","","","","","","","","","","","","Blocherleitengraben, Moldanubian nappes, Lower Austria","12","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 -","- Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 -","- Al27.072 B18.864 Ca0.36 F2.07 Fe0.54 H18.93 Li4.14 Mn2.574 Na2.28 O126.93 Si17.136 Ti0.054 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLP1","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016102","6.9749","","6.9749","","17.315","","90","","90","","120","","729.506","","","","","","","","","","","","Hungary","6","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.964 H6.159 K0.876 Na0.071 O14.053 S2 -","- Al8.892 H18.477 K2.628 Na0.213 O42.159 S6 -","- Al8.892 H18.477 K2.628 Na0.213 O42.159 S6 -","","","","Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.","Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 25 C","Mineralogical Magazine","2012","76","","613","623","10.1180/minmag.2012.076.3.12","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016106","48.19","","4.11","","34.24","","90","","106.059","","90","","6516.97","","","","","","","","","","","","the Low Tatra Mountains, Western Carpathians, Slovakia","4","C 1 2/m 1","-C 2y","12","","","Chovanite","- O0.18 Pb13.44 S36 Sb15.56 -","- O0.72 Pb53.76 S144 Sb62.24 -","- O0.72 Pb53.76 S144 Sb62.24 -","","","","Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S","Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia","European Journal of Mineralogy","2012","24","","727","740","10.1127/0935-1221/2012/0024-2189","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016110","9.8986","","8.4008","","5.4016","","90","","110.648","","90","","420.323","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- Al Ge2 Li O6 -","- Al4 Ge8 Li4 O24 -","- Al4 Ge8 Li4 O24 -","","","","Redhammer, G. J.; Nestola, F.; Miletich, R.","Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr","American Mineralogist","2012","97","","1213","1218","10.2138/am.2012.4099","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016111","8.1031","","8.1031","","8.1031","","90","","90","","90","","532.051","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.84 O4 Si0.98 -","- Mg14.72 O32 Si7.84 -","- Mg14.72 O32 Si7.84 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K, split Si model","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016123","5.5828","","9.766","","5.5455","","94.467","","111.348","","93.85","","279.26","","","","","","","","","","","","Monte Nero mine, Rocchetta Vara, La Spezia, Liguria, Italy","4","P 1","P 1","1","","","Coralloite","- As2 H10 Mn3 O14 -","- As2 H10 Mn3 O14 -","- As2 H10 Mn3 O14 -","1","1","","Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C.","Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups","American Mineralogist","2012","97","","727","734","10.2138/am.2012.3878","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016124","17.91","","6.985","","6.594","","90","","99.89","","90","","812.659","","","","","","","","","","","","Belorechenskoye deposit, Northern Caucasus, Russia","6","C 1 2/m 1","-C 2y","12","","","Dymkovite","- As2 H14 Mg0.4 Ni0.6 O17 U2 -","- As2 H14 Mg0.4 Ni0.6 O17 U2 -","- As4 H28 Mg0.8 Ni1.2 O34 U4 -","2","0.25","","Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Chukanov, N. V.; Bryzgalov, I. A.; Zadov, A. E.","New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: II. Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite","European Journal of Mineralogy","2012","24","","923","930","10.1127/0935-1221/2012/0024-2219","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016133","9.164","","13.227","","6.47","","90","","106.56","","90","","751.714","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016138","8.1084","","8.1084","","8.1084","","90","","90","","90","","533.096","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.88 O4 Si0.98 -","- Mg15.04 O32 Si7.84 -","- Mg15.04 O32 Si7.84 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 586 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016139","9.7838","","9.1349","","5.1929","","90","","101.75","","90","","454.385","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","","- Fe Ge O3 -","- Fe8 Ge8 O24 -","- Fe8 Ge8 O24 -","","","","Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.","Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 50 K","American Mineralogist","2012","97","","694","706","10.2138/am.2012.3995","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016141","16.6682","","16.6682","","6.9007","","90","","90","","120","","1660.36","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","7","P 63/m c m","-P 6c 2","193","","","Krasheninnikovite","- Ca3 F3 K2.44 Mg3 Na6.56 O36 S9 -","- Ca6 F6 K4.88 Mg6 Na13.12 O72 S18 -","- Ca6 F6 K4.88 Mg6 Na13.12 O72 S18 -","","","","Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Ksenofontov, D. A.; Kabalov, Y. K.; Chukanov, N. V.; Yapaskurt, V. O.; Zadov, A. E.; Pushcharovsky, D. Y.","Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from the Tolbachik volcano, Kamchatka, Russia","American Mineralogist","2012","97","","1788","1795","10.2138/am.2012.4104","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016145","11.0003","","11.0003","","11.0003","","90","","90","","90","","1331.11","","","","","","","","","","","","Lengenbach Quarry, Binntal, Canton Valais, Switzerland","4","F -4 3 m","F -4 2 3","216","","","Canfieldite","- Ag7.998 S3.897 Sn Te2.103 -","- Ag7.998 S3.897 Sn Te2.103 -","- Ag31.992 S15.588 Sn4 Te8.412 -","4","0.0416667","","Bindi, L.; Nestola, F.; Guastoni, A.; Zorzi, F.; Peruzzo, L.; Raber, T.","Te-rich canfieldite, Ag8Sn(S,Te)6, from Lengenbach Quarry, Binntal, Canton Valais, Switzerland: Occurrence, description and crystal structure","The Canadian Mineralogist","2012","50","","111","118","10.3749/canmin.50.1.111","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9016153","18.105","","8.734","","5.1376","","90","","90","","90","","812.404","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 2.69(5) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016156","20.82","","9.35","","8.359","","90","","78.86","","90","","1596.56","","","","","","","","","","","","Denezhkin Kamen, Urals Region, Russia","4","C 1 2/c 1","-C 2yc","15","","","Partheite","- Al4 Ca2 O17 Si4 -","- Al16 Ca8 O68 Si16 -","- Al16 Ca8 O68 Si16 -","","","","Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L.","Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 275 C","American Mineralogist","2012","97","","1866","1873","10.2138/am.2012.4197","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016165","8.1047","","8.1047","","8.1047","","90","","90","","90","","532.367","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Co O4 -","- Al16 Co8 O32 -","- Al16 Co8 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl100","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016167","6.3868","","21.26","","15.365","","90","","90.564","","90","","2086.21","","","","","","","","","","","","Palermo No. 1 pegmatite, North Groton, New Hampshire","8","P 1 21/c 1","-P 2ybc","14","","","Falsterite","- Ca Fe2 H16 Mg0.464 Mn O25 P4 Zn2.036 -","- Ca Fe2 H16 Mg0.464 Mn O25 P4 Zn2.036 -","- Ca4 Fe8 H64 Mg1.856 Mn4 O100 P16 Zn8.144 -","4","1","","Kampf, A. R.; Mills, S. J.; Simmons, W. B.; Nizamoff, J. W.; Whitmore, R. W.","Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire","American Mineralogist","2012","97","","496","502","10.2138/am.2012.4008","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016172","16.59","","8.867","","4.4886","","90","","90","","90","","660.289","","","","","","","","","","","","Cripple Creek, Colorado, USA","3","P m a 2","P 2 -2a","28","","","Krennerite","- Ag0.507 Au1.49 Te4 -","- Ag2.026 Au5.962 Te16 -","- Ag2.026 Au5.962 Te16 -","","","","Dye, M. D.; Smyth, J. R.","The crystal structure and genesis of krennerite, Au3AgTe8","The Canadian Mineralogist","2012","50","","119","127","10.3749/canmin.50.1.119","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016175","8.1481","","8.1481","","8.1481","","90","","90","","90","","540.965","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.389 Mg1.001 O4 -","- Al12.88 Fe3.112 Mg8.008 O32 -","- Al12.88 Fe3.112 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016177","11.793","","9.1138","","6.8265","","90","","103.859","","90","","712.346","","","","","","","","","","","","Tsumeb mine, Namibia","4","P 1 21/c 1","-P 2ybc","14","","","Ianbruceite","- As1.079 H6.74 O7.87 Zn2 -","- As1.079 H6.74 O7.87 Zn2 -","- As4.316 H26.96 O31.48 Zn8 -","4","1","","Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Hawthorne, F. C.; Back, M. E.; Tait, K. T.; Schluter, J.; Malcherek, T.; Pohl, D.; Gebhard, G.","Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure","Mineralogical Magazine","2012","76","","1119","1131","10.1180/minmag.2012.076.5.05","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016180","16.2004","","5.5529","","10.0423","","90","","90","","90","","903.397","","","","","","","","","","","","Merelani Hills, Tanzania","5","P n m a","-P 2ac 2n","62","","","Zoisite","- Al3 Ca2 H O13 Si3 -","- Al3 Ca2 H O13 Si3 -","- Al12 Ca8 H4 O52 Si12 -","4","0.5","","Alvaro, M.; Angel, R. J.; Camara, F.","High-pressure behavior of zoisite Note: P = .0001 GPa","American Mineralogist","2012","97","","1165","1176","10.2138/am.2012.4014","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016184","3.504","","3.504","","3.504","","90","","90","","90","","43.022","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 20.64 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016195","8.744","","14.38","","17.901","","90","","103.654","","90","","2187.24","","","","","","","","","","","","Synthetic","6","C 1 2/c 1","-C 2yc","15","","","","- Co1.5 Cs H4 O26 Se2 U4 -","- Co1.5 Cs H4 O26 Se2 U4 -","- Co6 Cs4 H16 O104 Se8 U16 -","4","0.5","","Wylie, E. M.; Burns, P. C.","Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 2","The Canadian Mineralogist","2012","50","","147","157","10.3749/canmin.50.1.147","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016203","12.4929","","12.4929","","12.4929","","90","","90","","90","","1949.8","","","","","","","","","","","","Gozaisho mine, Japan","6","I a -3 d","-I 4bd 2c 3","230","","","Manganberzeliite","- As2.889 Ca2.01 Mg0.304 Mn1.696 Na0.99 O12 -","- As23.112 Ca16.08 Mg2.432 Mn13.568 Na7.92 O96 -","- As23.112 Ca16.08 Mg2.432 Mn13.568 Na7.92 O96 -","","","","Nagashima, M.; Armbruster, T.","Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures","Mineralogical Magazine","2012","76","","1081","1097","10.1180/minmag.2012.076.5.02","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016213","4.953","","4.953","","13.5884","","90","","90","","120","","288.693","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 0 GPa, data from Ovsyannikov and Dubrovinsky (2011)","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9016214","21.554","","23.454","","8.079","","90","","100.76","","90","","4012.35","","","","","","","","","","","","Bottino mine, Apuan Alps, Italy","3","P 1 21/a 1","-P 2yab","14","","","Boulangerite","- Pb10.15 S22 Sb7.85 -","- Pb40.6 S88 Sb31.4 -","- Pb40.6 S88 Sb31.4 -","","","","Ventruti, G.; Stasi, F.; Pinto, D.; Vurro, F.; Renna, M.","The plumose boulangerite from Bottino, Apuan Alps, Italy: Crystal structure, OD character and twinning Note: MDO1 polytype","The Canadian Mineralogist","2012","50","","181","199","10.3749/canmin.50.2.181","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016216","15.951","","15.951","","7.138","","90","","90","","120","","1572.83","","","","","","","","","","","","Elba, Italy","8","R 3 m :H","R 3 -2""","160","","","Fluor-tsilaisite","- Al7.767 B3 F0.57 H6 Mn1.233 Na0.666 O30.43 Si6 -","- Al23.301 B9 F1.71 H9 Mn3.699 Na1.998 O91.29 Si18 -","- Al23.301 B9 F1.71 H9 Mn3.699 Na1.998 O91.29 Si18 -","","","","Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.","Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3","American Mineralogist","2012","97","","1402","1416","10.2138/am.2012.4028","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016221","6.5689","","6.5689","","9.6804","","90","","90","","120","","361.751","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","- Ba2 O18 Si6 Ti2 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 3.56 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016228","10.6418","0.0001","5.8485","0.0001","14.4157","0.0001","90","","95.443","0.001","90","","893.17","0.02","150","","150","","","","","","","","Synthetic","4","I 1 2/a 1","-I 2ya","15","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu12 H24 O44 V8 -","4","0.5","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0293","","","","0.0767","","","","","","1.144","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016238","8.1463","","8.1463","","8.1463","","90","","90","","90","","540.606","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.608 Fe0.39 Mg O4 -","- Al12.864 Fe3.12 Mg8 O32 -","- Al12.864 Fe3.12 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 960 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016246","19.905","","7.098","","5.405","","90","","96.349","","90","","758.966","","","","","","","","","","","","Lohley quarry, Rhineland-Palatinate, Germany","13","C 1 2/m 1","-C 2y","12","","","Lileyite","- Ba1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2 -","- Ba1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2 -","- Ba3 Ca0.8 F3.2 Fe1.2 K0.6 Mg1.6 Mn0.4 Na3.8 Nb0.2 O32.8 Si8 Sr0.4 Ti4 -","2","0.25","","Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Zadov, A. E.; Van, K. V.; Blass, G.; Schuller, W.; Ternes, B.","Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group mineral from the Eifel volcanic area, Germany","European Journal of Mineralogy","2012","24","","181","188","10.1127/0935-1221/2012/0024-2174","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016254","16.0393","","16.0393","","7.2536","","90","","90","","120","","1616.05","","","","","","","","","","","","Blocherleitengraben, Lower Austria","9","R 3 m :H","R 3 -2""","160","","","Fluor-schorl","- Al5.295 B3 Ca0.06 F0.3 Fe3.705 H3.23 Na0.94 O30.7 Si6 -","- Al5.295 B3 Ca0.06 F0.3 Fe3.705 H3.23 Na0.94 O30.7 Si6 -","- Al15.885 B9 Ca0.18 F0.9 Fe11.115 H9.69 Na2.82 O92.1 Si18 -","3","0.166667","","Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.","Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls1","American Mineralogist","2012","97","","1402","1416","10.2138/am.2012.4028","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016256","6.538","","6.975","","37.26","","90","","90","","90","","1699.15","","","","","","","","","","","","Rother Kopf mountain, Eifel volcanic field, Germany","9","P n m 21","P 2bc -2bc","31","","","Gunterblassite","- Ba0.3 Ca0.7 Fe0.5 H18 K1.2 Mg0.15 Na0.15 O36 Si13 -","- Ba0.3 Ca0.7 Fe0.5 H18 K1.2 Mg0.15 Na0.15 O36 Si13 -","- Ba0.6 Ca1.4 Fe H36 K2.4 Mg0.3 Na0.3 O72 Si26 -","2","0.5","","Rastvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.","Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported","Doklady Chemistry","2012","442","","57","62","10.1134/S0012500812020115","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016257","18.019","","8.668","","5.1073","","90","","90","","90","","797.703","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 5.21(7) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016265","17.897","","8.575","","5.0664","","90","","90","","90","","777.524","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 9.36(5) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016267","8.1475","","8.1475","","8.1475","","90","","90","","90","","540.845","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.388 Mg O4 -","- Al12.88 Fe3.104 Mg8 O32 -","- Al12.88 Fe3.104 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016268","15.852","","15.852","","7.148","","90","","90","","120","","1555.55","","","","","","","","","","","","Elba, Italy","8","R 3 m :H","R 3 -2""","160","","","Fluor-tsilaisite","- Al7.728 B3 F0.14 H6 Mn1.272 Na0.674 O30.86 Si6 -","- Al23.184 B9 F0.42 H9 Mn3.816 Na2.022 O92.58 Si18 -","- Al23.184 B9 F0.42 H9 Mn3.816 Na2.022 O92.58 Si18 -","","","","Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.","Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3h, heated in air at 750 C for 30 h","American Mineralogist","2012","97","","1402","1416","10.2138/am.2012.4028","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016270","9.8976","","8.3985","","5.402","","90","","110.64","","90","","420.219","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- Al Ge2 Li O6 -","- Al4 Ge8 Li4 O24 -","- Al4 Ge8 Li4 O24 -","","","","Redhammer, G. J.; Nestola, F.; Miletich, R.","Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAF_L_tr","American Mineralogist","2012","97","","1213","1218","10.2138/am.2012.4099","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016314","10.277","","9.826","","7.205","","90.077","","98.865","","118.442","","629.77","","","","","","","","","","","","Hagendorf-Süd pegmatite, Germany","6","P -1","-P 1","2","","","Strunzite","- Al0.56 Fe1.44 H14 Mn O16 P2 -","- Al0.56 Fe1.44 H14 Mn O16 P2 -","- Al1.12 Fe2.88 H28 Mn2 O32 P4 -","2","1","","Grey, I. E.; Macrae, C. M.; Keck, E.; Birch, W. D.","Aluminium-bearing strunzite derived from jahnsite at the Hagendorf-Sud pegmatite, Germany","Mineralogical Magazine","2012","76","","1165","1174","10.1180/minmag.2012.076.5.08","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9016316","8.1468","","8.1468","","8.1468","","90","","90","","90","","540.706","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.61 Fe0.388 Mg O4 -","- Al12.88 Fe3.104 Mg8 O32 -","- Al12.88 Fe3.104 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 60 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016317","9.3687","","9.3687","","6.8739","","90","","90","","120","","522.507","","","","","","","","","","","","Ipira, Bahia Province, Brazil","9","P 63/m","-P 6c","176","","","Fluorapatite","- Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 -","- Ca9.948 Cl0.12 F1.52 H0.36 Na0.052 O24.36 Pb5.688 Sb0.132 Si0.18 -","- Ca9.948 Cl0.12 F1.52 H0.36 Na0.052 O24.36 Pb5.688 Sb0.132 Si0.18 -","","","","Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J.","A multi-domain gem-grade Brazilian apatite Note: single-crystal neutron at T = 130 K","American Mineralogist","2012","97","","1574","1581","10.2138/am.2012.4069","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016328","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.391 Mg O4 -","- Al12.872 Fe3.128 Mg8 O32 -","- Al12.872 Fe3.128 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016329","3.48","","3.48","","3.48","","90","","90","","90","","42.144","","","","","","","","","","","","Synthetic, Sample M605","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 25.01 GPa, T = 1273 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","287515","2023-11-10","16:11:50",""
"9016336","8.1706","","8.1706","","8.1706","","90","","90","","90","","545.459","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.538 Mg1.001 O4 -","- Al11.672 Fe4.304 Mg8.008 O32 -","- Al11.672 Fe4.304 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016338","4.9579","","7.9595","","5.7328","","90","","90","","90","","226.23","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 265 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016343","8.1709","","8.1709","","8.1709","","90","","90","","90","","545.519","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.468 Fe0.53 Mg1.004 O4 -","- Al11.744 Fe4.24 Mg8.032 O32 -","- Al11.744 Fe4.24 Mg8.032 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 30 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016347","11.034","","13.5152","","3.7136","","90","","90","","90","","553.797","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 4.89 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016353","12.607","","12.607","","5.111","","90","","90","","120","","703.493","","","","","","","","","","","","Khibiny","7","P 63","P 6c","173","","","Cancrinite","- C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 -","- C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 -","- C1.472 H3.996 Al5.4 Ca0.42 Na7.46 O30.414 Si6.6 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# kir2343","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016358","12.877","","12.877","","95.244","","90","","90","","120","","13677.2","","","","","","","","","","","","Valle Biachella, Sacrofano community (Rome, Latium, Italy)","8","R 3 2 :H","R 3 2""","155","","","Kircherite","- Al36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 -","- Al36 Ca7.004 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 -","- Al108 Ca21.012 H11.28 K37.908 Na90.696 O509.742 S43.968 Si108 -","3","0.166667","","Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A.","Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure","American Mineralogist","2012","97","","1494","1504","10.2138/am.2012.4033","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9016361","13.093","","13.093","","102.682","","90","","90","","120","","15244.2","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian Islands, Italy","6","R -3 c :H","-R 3 2""c","167","","","Argesite","- Bi9 Br4.272 Cl43.728 H21 K3.627 N17.373 -","- Bi54 Br25.632 Cl262.368 H416.82 K21.762 N104.238 -","- Bi54 Br25.632 Cl262.368 H416.82 K21.762 N104.238 -","","","","Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.","Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion","American Mineralogist","2012","97","","1446","1451","10.2138/am.2012.4052","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016362","8.0852","","8.0852","","8.0852","","90","","90","","90","","528.533","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.99 Cu0.41 Mg0.59 O4 -","- Al15.92 Cu3.28 Mg4.72 O32 -","- Al15.92 Cu3.28 Mg4.72 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70aw","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016363","8.1471","","8.1471","","8.1471","","90","","90","","90","","540.766","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg1.002 O4 -","- Al12.872 Fe3.112 Mg8.016 O32 -","- Al12.872 Fe3.112 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016364","8.1684","","8.1684","","8.1684","","90","","90","","90","","545.018","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.539 Mg1.002 O4 -","- Al11.672 Fe4.312 Mg8.016 O32 -","- Al11.672 Fe4.312 Mg8.016 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 5340 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016368","5.173","","5.21","","7.371","","90","","89.88","","90","","198.658","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H6 Mg O6 Si -","- H24 Mg4 O24 Si4 -","- H24 Mg4 O24 Si4 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from P2_12_12_1","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016370","8.1478","","8.1478","","8.1478","","90","","90","","90","","540.905","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","- Al12.872 Fe3.112 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016372","5.205","","9.033","","32.077","","90","","93.49","","90","","1505.36","","","","","","","","","","","","Southern Shaanxi, China","9","C 1 2 1","C 2y","5","","","Hanjiangite","- C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323 -","- C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323 -","- C8 H8 Al6.8 Ba8 Ca4 F2.64 O72 Si11.92 V5.292 -","4","1","","Liu, J.; Li, G.; Mao, Q.; Wu, S.; Liu, Z.; Su, S.; Xiong, M.; Yu, X.","Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral, from the Shiti barium deposit in the Dabashan region, China Note: data is taken from the deposited cif, which unfortunately does not agree with the published tables.","American Mineralogist","2012","97","","281","290","10.2138/am.2012.3781","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016377","16.749","","16.749","","16.749","","90","","90","","90","","4698.58","","","","","","","","","","","","Val Cavallizza mine, Cuasso al Monte, Varese province, Italy","8","F d -3 :2","-F 2uv 2vw 3","203","","","Chukhrovite-(Ca)","- Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S -","- Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S -","- Al16 Ca34.64 F104 Fe0.24 H192 Na0.96 O128 S8 -","8","0.0833333","","Vignola, P.; Hatert, F.; Bersani, D.; Diella, V.; Gentile, P.; Risplendente, A.","Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy","European Journal of Mineralogy","2012","24","","1069","1076","10.1127/0935-1221/2012/0024-2247","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016388","11.4164","","14.1705","","3.7632","","90","","90","","90","","608.796","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 0.0001 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016392","6.9897","","6.9897","","17.574","","90","","90","","120","","743.564","","","","","","","","","","","","Hungary","6","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.892 H6 K0.876 Na0.071 O14 S2 -","- Al2.892 H6 K0.876 Na0.071 O14 S2 -","- Al8.676 H18 K2.628 Na0.213 O42 S6 -","3","0.0833333","","Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.","Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 400 C","Mineralogical Magazine","2012","76","","613","623","10.1180/minmag.2012.076.3.12","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016399","7.3477","","7.3477","","5.2955","","90","","90","","90","","285.897","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","Jacutingaite","- Hg Pt2 Se3 -","- Hg2 Pt4 Se6 -","- Hg2 Pt4 Se6 -","","","","Vymazalova, A.; Laufek, F.; Drabek, M.; Cabral, A. R.; Haloda, J.; Sidorinova, T.; Lehmann, B.; Galbiatti, H. F.; Drahokoupil, J.","Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil","The Canadian Mineralogist","2012","50","","431","440","10.3749/canmin.50.2.431","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016416","8.1694","","8.1694","","8.1694","","90","","90","","90","","545.218","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.54 Mg0.999 O4 -","- Al11.688 Fe4.32 Mg7.992 O32 -","- Al11.688 Fe4.32 Mg7.992 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 45 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016425","37.432","","4.0529","","43.545","","90","","108.8","","90","","6253.69","","","","","","","","","","","","skarn deposit of Baita Bihor, Romania","5","C 1 2/m 1","-C 2y","12","","","Cuproneyite","- Ag0.44 Bi13.19 Cu4 Pb12.27 S34 -","- Ag1.76 Bi52.76 Cu16 Pb49.08 S136 -","- Ag1.76 Bi52.76 Cu16 Pb49.08 S136 -","","","","Ilinca, G.; Makovicky, E.; Topa, D.; Zagler, G.","Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania","The Canadian Mineralogist","2012","50","","353","370","10.3749/canmin.50.2.353","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016427","4.605","","4.605","","12.854","","90","","90","","120","","236.063","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 70.4 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9016433","8.0889","","8.0889","","8.0889","","90","","90","","90","","529.259","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.92 O4 Si -","- Mg15.36 O32 Si8 -","- Mg15.36 O32 Si8 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 396 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016434","8.0846","","8.0846","","8.0846","","90","","90","","90","","528.416","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Cu0.44 Mg0.56 O4 -","- Al16 Cu3.52 Mg4.48 O32 -","- Al16 Cu3.52 Mg4.48 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70bm","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016439","9.9342","","9.5566","","9.1104","","90","","102.397","","90","","844.749","","","","","","","","","","","","Synthetic","2","P 1 2/c 1","-P 2yc","13","","","Alacranite","- As8 S9 -","- As16 S18 -","- As16 S18 -","","","","Zoppi, M.; Pratesi, G.","The dual behavior of the beta-As4S4 altered by light","American Mineralogist","2012","97","","890","896","10.2138/am.2012.3968","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016445","6.9859","","6.9859","","17.481","","90","","90","","120","","738.825","","","","","","","","","","","","Hungary","6","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.889 H6 K0.876 Na0.071 O14 S2 -","- Al2.889 H6 K0.876 Na0.071 O14 S2 -","- Al8.667 H18 K2.628 Na0.213 O42 S6 -","3","0.0833333","","Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.","Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 300 C","Mineralogical Magazine","2012","76","","613","623","10.1180/minmag.2012.076.3.12","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016449","10.3894","","10.3894","","20.8709","","90","","90","","120","","1950.98","","","","","","","","","","","","the Molinello mine,Val Graveglia, Italy","11","R -3 :H","-R 3","148","","","Paseroite","- Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 -","- Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 -","- Fe3.12 Mg0.06 Mn5.61 Na0.54 O114 Pb1.83 Sr1.17 Ti21.06 U0.06 V23.22 Zn0.75 -","3","0.166667","","Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G.","Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group","European Journal of Mineralogy","2012","24","","1061","1067","10.1127/0935-1221/2012/0024-2243","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016450","11.3382","","11.3382","","9.6584","","90","","90","","120","","1075.29","","","","","","","","","","","","San Benito, California, USA","4","P 3 1 c","P 3 -2c","159","","","Benitoite","- Ba O9 Si3 Ti -","- Ba6 O54 Si18 Ti6 -","- Ba6 O54 Si18 Ti6 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.75 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016453","9.3","","9.3","","8.294","","90","","90","","120","","621.242","","","","","","","","","","","","Jachymov, Czech Republic","6","P -6 2 c","P -6c -2c","190","","","Grimselite","- C3 H2 K3 Na O12 U -","- C3 H2 K3 Na O12 U -","- C6 H4 K6 Na2 O24 U2 -","2","0.166667","","Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P.","The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample B","Mineralogical Magazine","2012","76","","443","453","10.1180/minmag.2012.076.3.01","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016458","8.719","","12.634","","6.149","","90","","107.1","","90","","647.405","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 5.40 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016467","8.0777","","8.0777","","8.0777","","90","","90","","90","","527.064","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.92 O4 Si0.98 -","- Mg15.36 O32 Si7.84 -","- Mg15.36 O32 Si7.84 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 243 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016471","5.0851","","11.4165","","28.6408","","90","","90","","90","","1662.71","","","","","","","","","","","","Birkhin massif, Baikal Lake area, North Caucasus, Russia","3","P b c n","-P 2n 2ab","60","","","Pavlovskyite","- Ca8 O18 Si5 -","- Ca32 O72 Si20 -","- Ca32 O72 Si20 -","","","","Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M.","Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus","American Mineralogist","2012","97","","503","512","10.2138/am.2012.3970","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016474","8.1704","","8.1704","","8.1704","","90","","90","","90","","545.419","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.539 Mg1.001 O4 -","- Al11.672 Fe4.312 Mg8.008 O32 -","- Al11.672 Fe4.312 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 9 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016480","3.519","","3.519","","3.519","","90","","90","","90","","43.577","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 15.37 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016482","11.0545","","11.0545","","10.4131","","90","","90","","120","","1102.02","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","Thaumasite","- C H30 Ca3 O25 S Si -","- C2 H60 Ca6 O50 S2 Si2 -","- C2 H60 Ca6 O50 S2 Si2 -","","","","Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D.","Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 301 K","American Mineralogist","2012","97","","1060","1069","10.2138/am.2012.4058","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016487","21.524","","8.667","","9.292","","90","","91.067","","90","","1733.11","","","","","","","","","","","","Denezhkin Kamen, Urals Region, Russia","5","C 1 2/c 1","-C 2yc","15","","","Partheite","- Al4 Ca2 H4.92 O19 Si4 -","- Al16 Ca8 H19.68 O76 Si16 -","- Al16 Ca8 H19.68 O76 Si16 -","","","","Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L.","Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 150 C","American Mineralogist","2012","97","","1866","1873","10.2138/am.2012.4197","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016497","6.9916","","6.9916","","17.621","","90","","90","","120","","745.958","","","","","","","","","","","","Hungary","6","R -3 m :H","-R 3 2""","166","","","Alunite","- Al2.916 H6 K0.876 Na0.071 O14 S2 -","- Al2.916 H6 K0.876 Na0.071 O14 S2 -","- Al8.748 H18 K2.628 Na0.213 O42 S6 -","3","0.0833333","","Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.","Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 450 C","Mineralogical Magazine","2012","76","","613","623","10.1180/minmag.2012.076.3.12","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016498","7.2474","","7.6813","","8.6432","","90.835","","99.771","","122.581","","396.295","","","","","","","","","","","","Nakalaq, Ilimaussaq complex, Greenland","5","P -1","-P 1","2","","","Ussingite","- Al H Na2 O9 Si3 -","- Al2 H2 Na4 O18 Si6 -","- Al2 H2 Na4 O18 Si6 -","","","","Williams, E. R.; Weller, M. T.","A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework Note: T = 4 K","Physics and Chemistry of Minerals","2012","39","","471","478","10.1007/s00269-012-0501-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016504","8.1461","","8.1461","","8.1461","","90","","90","","90","","540.567","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.389 Mg O4 -","- Al12.872 Fe3.112 Mg8 O32 -","- Al12.872 Fe3.112 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016506","3.507","","3.507","","3.507","","90","","90","","90","","43.133","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 17.47 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016511","8.0831","","8.0831","","8.0831","","90","","90","","90","","528.122","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu0.7 Mg0.3 O4 -","- Al16 Cu5.6 Mg2.4 O32 -","- Al16 Cu5.6 Mg2.4 O32 -","","","","Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.","Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dm","American Mineralogist","2012","97","","1821","1827","10.2138/am.2012.4177","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016533","12.7961","","12.7961","","21.4094","","90","","90","","120","","3035.92","","","","","","","","","","","","Case Collina, Latium, Italy","8","P 3 1 c","P 3 -2c","159","","","Afghanite","- Al12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12 -","- Al12 Ca5.515 Cl2.99999 K2.505 Na7.5 O59.9999 S3 Si12 -","- Al24 Ca11.03 Cl5.99998 K5.01 Na15 O120 S6 Si24 -","2","0.333333","","Ballirano, P.; Bosi, F.","Thermal behavior of afghanite, an ABABACAC member of the cancrinite group","American Mineralogist","2012","97","","630","640","10.2138/am.2012.3898","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9016540","9.937","","9.937","","7.004","","90","","90","","120","","598.946","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","5","P 3","P 3","143","","","Laurentianite","- H18 Na2.76 Nb3 O26 Si4 -","- H18 Na2.76 Nb3 O26 Si4 -","- H18 Na2.76 Nb3 O26 Si4 -","1","0.333333","","Haring, M. M. M.; McDonald, A. M.; Cooper, M. A.; Poirier, G. A.","Laurentianite, [NbO(H2O)]3(Si2O7)2[Na(H2O)2]3, a new mineral from Mont Saint-Hilaire, Quebec: description, crystal-structure determination and paragenesis","The Canadian Mineralogist","2012","50","","1265","1280","10.3749/canmin.50.5.1265","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016551","12.278","","12.278","","4.876","","90","","90","","120","","636.575","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 5.73 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9016554","12.5433","","12.5433","","12.5433","","90","","90","","90","","1973.49","","","","","","","","","","","","Molinello mine, Italy","7","I a -3 d","-I 4bd 2c 3","230","","","Palenzonaite","- As0.024 Ca2.19 Mn1.978 Na0.81 O12 Si0.21 V2.781 -","- As0.192 Ca17.52 Mn15.824 Na6.48 O96 Si1.68 V22.248 -","- As0.192 Ca17.52 Mn15.824 Na6.48 O96 Si1.68 V22.248 -","","","","Nagashima, M.; Armbruster, T.","Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures","Mineralogical Magazine","2012","76","","1081","1097","10.1180/minmag.2012.076.5.02","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016563","4.8273","","4.8273","","13.264","","90","","90","","120","","267.679","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.","High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 20.4 GPa","American Mineralogist","2012","97","","1764","1770","10.2138/am.2012.4103","","","","","","","","","","","","","","","","","","","","","has coordinates","205228","2020-10-21","18:00:00",""
"9016564","8.1696","","8.1696","","8.1696","","90","","90","","90","","545.258","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.461 Fe0.538 Mg1.001 O4 -","- Al11.688 Fe4.304 Mg8.008 O32 -","- Al11.688 Fe4.304 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 360 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016572","17.868","","8.491","","5.0565","","90","","90","","90","","767.158","","","","","","","","","","","","San Carlos, Arizona, USA","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.087 Mg0.913 O3 Si -","- Fe1.392 Mg14.608 O48 Si16 -","- Fe1.392 Mg14.608 O48 Si16 -","","","","Zhang, J. S.; Dera, P.; Bass, J. D.","A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 12.66 GPa","American Mineralogist","2012","97","","1070","1074","10.2138/am.2012.4072","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016574","9.784","","9.1342","","5.1924","","90","","101.754","","90","","454.309","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","","- Fe Ge O3 -","- Fe8 Ge8 O24 -","- Fe8 Ge8 O24 -","","","","Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.","Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 30 K","American Mineralogist","2012","97","","694","706","10.2138/am.2012.3995","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016575","12.5976","","12.5976","","5.1168","","90","","90","","120","","703.242","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-AIR)","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9016577","8.147","","8.147","","8.147","","90","","90","","90","","540.746","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.609 Fe0.391 Mg O4 -","- Al12.872 Fe3.128 Mg8 O32 -","- Al12.872 Fe3.128 Mg8 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016592","5.3193","","8.9056","","6.4353","","90","","90","","90","","304.85","","","","","","","","","","","","Hexham, Northumberland, England","4","P m c n","-P 2n 2a","62","","","Witherite","- C Ba0.981 O3 Sr0.019 -","- C4 Ba3.924 O12 Sr0.076 -","- C4 Ba3.924 O12 Sr0.076 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016593","6.87032","","8.3603","","5.34732","","90","","90","","90","","307.139","","","","","","","","","","","","Saxony, Ngar Majunga, Madagascar","5","P b n m","-P 2c 2ab","62","","","Celestine","- Ba0.001 Fe0.001 O4 S Sr0.966 -","- Ba0.004 Fe0.004 O16 S4 Sr3.864 -","- Ba0.004 Fe0.004 O16 S4 Sr3.864 -","","","","Antao, S. M.","Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups","American Mineralogist","2012","97","","661","665","10.2138/am.2012.3905","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016596","9.9015","","8.4047","","5.4036","","90","","110.637","","90","","420.828","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- Al Ge2 Li O6 -","- Al4 Ge8 Li4 O24 -","- Al4 Ge8 Li4 O24 -","","","","Redhammer, G. J.; Nestola, F.; Miletich, R.","Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAG","American Mineralogist","2012","97","","1213","1218","10.2138/am.2012.4099","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016597","4.9564","","7.9536","","5.7253","","90","","90","","90","","225.698","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 224 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016598","5.7214","","11.4789","","8.2924","","90","","90","","90","","544.607","","","","","","","","","","","","Synthetic","3","I m m a","-I 2b 2","74","","","Wadsleyite","- Mg2 O4 Si -","- Mg16 O32 Si8 -","- Mg16 O32 Si8 -","","","","Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.","High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 728 K","American Mineralogist","2012","97","","1582","1590","10.2138/am.2012.3992","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016602","5.8506","","17.9793","","8.3779","","90","","90","","90","","881.269","","","","","","","","","","","","Synthetic","4","I m m a","-I 2b 2","74","","","Spinelloid","- Fe2.48 Mg0.09 O4 Si0.43 -","- Fe29.764 Mg1.0764 O48 Si5.1596 -","- Fe29.764 Mg1.0764 O48 Si5.1596 -","","","","Woodland, A. B.; Angel, R. J.; Koch, M.","Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8b1195, Spinelloid-II","European Journal of Mineralogy","2012","24","","657","668","10.1127/0935-1221/2012/0024-2222","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016604","5.182","","8.4953","","6.1436","","90","","90","","90","","270.458","","","","","","","","","","","","Tsumeb, Namibia","4","P m c n","-P 2n 2a","62","","","Cerussite","- C Ca0.001 O3 Pb -","- C4 Ca0.004 O12 Pb3.996 -","- C4 Ca0.004 O12 Pb3.996 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016613","12.613","","12.613","","5.124","","90","","90","","120","","705.954","","","","","","","","","","","","Dakhuunur","7","P 63","P 6c","173","","","Cancrinite","- C0.805 H1.998 Al2.91 Ca0.81 Na2.915 O15.414 Si3.09 -","- C0.805 H1.998 Al2.91 Ca0.81 Na2.915 O15.414 Si3.09 -","- C1.61 H3.996 Al5.82 Ca1.62 Na5.83 O30.828 Si6.18 -","2","0.333333","","Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.","Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf62633/2","The Canadian Mineralogist","2012","49","","1129","1150","10.3749/canmin.49.5.1129","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016616","26.03","","15.059","","15.524","","90","","90.45","","90","","6085","","","","","","","","","","","","Odenwald, southwest Germany","5","C 1 2 1","C 2y","5","","","Fettelite","- Ag16 As4 Cu0.213 Hg0.786 S15 -","- Ag128 As32 Cu1.708 Hg6.292 S120 -","- Ag128 As32 Cu1.708 Hg6.292 S120 -","","","","Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S.","A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R110042","Mineralogical Magazine","2012","76","","551","566","10.1180/minmag.2012.076.3.07","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016625","8.0947","","8.0947","","8.0947","","90","","90","","90","","530.398","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.88 O4 Si0.97 -","- Mg15.04 O32 Si7.76 -","- Mg15.04 O32 Si7.76 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 635 K, split Si model","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016634","12.1545","","3.735","","6.4884","","90","","107.62","","90","","280.735","","","","","","","","","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","","","","- Al0.5 Nb0.5 O2 -","- Al4 Nb4 O16 -","- Al4 Nb4 O16 -","","","","Ardit, M.; Dondi, M.; Cruciani, G.","Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N00","American Mineralogist","2012","97","","910","917","10.2138/am.2012.3977","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016635","3.495","","3.495","","3.495","","90","","90","","90","","42.692","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 19.82 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016637","5.1196","","5.1196","","23.1784","","90","","90","","120","","526.122","","","","","","","","","","","","Biraya Fe-REE deposit, Irkutsk, Russia","12","P 63/m m c","-P 6c 2c","194","","","Cordylite-(La)","- C4 H0.19 Ba Ca0.39 Ce0.66 F0.75 La0.7 Na0.61 Nd0.12 O12.19 Pr0.04 Sr0.46 -","- C4 H0.19 Ba Ca0.39 Ce0.66 F0.75 La0.7 Na0.61 Nd0.12 O12.19 Pr0.04 Sr0.46 -","- C8 H0.38 Ba2 Ca0.78 Ce1.32 F1.5 La1.4 Na1.22 Nd0.24 O24.38 Pr0.08 Sr0.92 -","2","0.0833333","","Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Konev, A. A.; Raudsepp, M.","Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 2","The Canadian Mineralogist","2012","50","","1281","1290","10.3749/canmin.50.5.1281","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016639","5.7612","","5.6841","","5.7674","","90","","111.721","","90","","175.456","","","","","","","","","","","","La Roche-Balue Quarry, Loire-Atlantique, France","3","P 1 21/c 1","-P 2ybc","14","","","Arsenopyrite","- As Fe S -","- As4 Fe4 S4 -","- As4 Fe4 S4 -","","","","Bindi, L.; Moelo, Y.; Leone, P.; Suchaud, M.","Stoichiometric arsenopyrite, FeAsS, from La Roche-Balue Quarry, Loire-Atlantique, France: Crystal structure and Mossbauer study","The Canadian Mineralogist","2012","50","","471","479","10.3749/canmin.50.2.471","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016648","3.484","","3.484","","3.484","","90","","90","","90","","42.29","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Iron","- Fe -","- Fe4 -","- Fe4 -","","","","Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.","Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 22.34 GPa, T = 1073 K","American Mineralogist","2012","97","","1417","1420","10.2138/am.2012.3958","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016658","8.0746","","8.0746","","8.0746","","90","","90","","90","","526.457","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- Mg1.96 O4 Si -","- Mg15.68 O32 Si8 -","- Mg15.68 O32 Si8 -","","","","Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.","Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 143 K","American Mineralogist","2012","97","","573","582","10.2138/am.2012.4010","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016665","10.973","","10.306","","7.367","","90.03","","109.63","","90.11","","784.696","","","","","","","","","","","","Monte Somma syenite, Italy","7","P -1","-P 1","2","","","Hiortdahlite","- Ca4.64 F3 Mn0.45 Na1.62 O15 Si4 Zr1.29 -","- Ca9.28 F6 Mn0.9 Na3.24 O30 Si8 Zr2.58 -","- Ca9.28 F6 Mn0.9 Na3.24 O30 Si8 Zr2.58 -","","","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Distinct domains in ""guarinite"" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: ""Guarinite"" Domain I","The Canadian Mineralogist","2012","50","","531","548","10.3749/canmin.50.2.531","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016670","9.784","","9.1338","","5.1924","","90","","101.753","","90","","454.291","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","","- Fe Ge O3 -","- Fe8 Ge8 O24 -","- Fe8 Ge8 O24 -","","","","Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.","Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 15 K","American Mineralogist","2012","97","","694","706","10.2138/am.2012.3995","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016676","8.1708","","8.1708","","8.1708","","90","","90","","90","","545.499","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.46 Fe0.541 Mg1.001 O4 -","- Al11.68 Fe4.328 Mg8.008 O32 -","- Al11.68 Fe4.328 Mg8.008 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016678","7.5213","","7.0071","","17.3282","","90","","98.834","","90","","902.406","","","","","","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- H12 Li2 O20 Se2 U3 -","- H12 Li2 O20 Se2 U3 -","- H24 Li4 O40 Se4 U6 -","2","0.5","","Wylie, E. M.; Burns, P. C.","Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 5","The Canadian Mineralogist","2012","50","","147","157","10.3749/canmin.50.1.147","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016680","8.938","","5.789","","10.153","","90","","114.54","","90","","477.884","","","","","","","","","","","","Eifel, Germany","11","P 1 21/m 1","-P 2yb","11","","","Ferriallanite-(La)","- Al1.356 Ca1.09 Ce0.42 Fe1.134 H La0.49 Mg0.05 Mn0.29 O13 Si3 Ti0.17 -","- Al2.712 Ca2.18 Ce0.84 Fe2.268 H2 La0.98 Mg0.1 Mn0.58 O26 Si6 Ti0.34 -","- Al2.712 Ca2.18 Ce0.84 Fe2.268 H2 La0.98 Mg0.1 Mn0.58 O26 Si6 Ti0.34 -","","","","Kolitsch, U.; Mills, S. J.; Miyawaki, R.; Blass, G.","Ferriallanite-(La), a new member of the epidote supergroup from the Eifel, Germany","European Journal of Mineralogy","2012","24","","741","747","10.1127/0935-1221/2012/0024-2210","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016687","10.19","","10.19","","10.19","","90","","90","","90","","1058.09","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","5","P 21 3","P 2ac 2ab 3","198","","","Calciolangbeinite","- Ca1.325 K2 Mg0.67 O12 S3 -","- Ca5.3 K8 Mg2.68 O48 S12 -","- Ca5.3 K8 Mg2.68 O48 S12 -","","","","Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Yapaskurt, V. O.; Chukanov, N. V.; Belakovskiy, D. I.; Pushcharovsky, D. Y.","Calciolangbeinite, K2Ca2(SO4)3, a new mineral from the Tolbachik volcano, Kamchatka, Russia","Mineralogical Magazine","2012","76","","673","682","10.1180/minmag.2012.076.3.16","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016689","5.0278","","7.5865","","10.2808","","91.968","","99.405","","109.159","","363.813","","","","","","","","","","","","Baker, San Bernardino County, California, U.S.A.","4","P -1","-P 1","2","","","Reynoldsite","- Cr Mn2 O9 Pb2 -","- Cr2 Mn4 O18 Pb4 -","- Cr2 Mn4 O18 Pb4 -","","","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Bottrill, R. S.; Kolitsch, U.","Reynoldsite, Pb2Mn4+2O5(CrO4), a new phyllomanganate-chromate from the Blue Bell claims, California and the Red Lead mine, Tasmania","American Mineralogist","2012","97","","1187","1192","10.2138/am.2012.3989","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016698","8.1709","","8.1709","","8.1709","","90","","90","","90","","545.519","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.459 Fe0.54 Mg1.003 O4 -","- Al11.672 Fe4.32 Mg8.024 O32 -","- Al11.672 Fe4.32 Mg8.024 O32 -","","","","Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.","Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 0 min","European Journal of Mineralogy","2012","24","","633","643","10.1127/0935-1221/2012/0024-2223","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016704","8.1821","","14.1946","","43.9103","","90","","90","","90","","5099.81","","","","","","","","","","","","the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA","9","C 2 2 21","C 2c 2","20","","","Kraisslite","- Al0.16 As4.92 Fe0.84 H16 Mg1.66 Mn23.39 O62 Si7.22 Zn2.81 -","- Al0.64 As19.68 Fe3.36 H64 Mg6.64 Mn93.56 O248 Si28.88 Zn11.24 -","- Al0.64 As19.68 Fe3.36 H64 Mg6.64 Mn93.56 O248 Si28.88 Zn11.24 -","","","","Cooper, M. A.; Hawthorne, F. C.","Crystal structure of kraisslite, Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16, from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA","Mineralogical Magazine","2012","76","","2819","2836","10.1180/minmag.2012.076.7.13","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016710","6.5605","","6.5605","","9.6574","","90","","90","","120","","359.969","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","- Ba2 O18 Si6 Ti2 -","","","","Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.","Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.01 GPa","American Mineralogist","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016719","8.0848","","8.0848","","8.0848","","90","","90","","90","","528.455","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Co0.08 Mg0.91 O4 -","- Al16 Co0.64 Mg7.28 O32 -","- Al16 Co0.64 Mg7.28 O32 -","","","","Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.","Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl1","American Mineralogist","2012","97","","1834","1840","10.2138/am.2012.4139","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016721","15.9783","","15.9783","","7.1507","","90","","90","","120","","1581.03","","","","","","","","","","","","Maigen, Moldanubian nappes, Lower Austria","15","R 3 m :H","R 3 -2""","160","","","Schorl","- Al7.872 B3 Ca0.01 F0.26 Fe3.258 H3.74 K0.01 Li0.06 Mg0.318 Mn0.222 Na0.61 O39.74 Si5.652 Ti0.24 Zn0.078 -","- Al7.872 B3 Ca0.01 F0.26 Fe3.258 H3.74 K0.01 Li0.06 Mg0.318 Mn0.222 Na0.61 O39.74 Si5.652 Ti0.24 Zn0.078 -","- Al23.616 B9 Ca0.03 F0.78 Fe9.774 H11.22 K0.03 Li0.18 Mg0.954 Mn0.666 Na1.83 O119.22 Si16.956 Ti0.72 Zn0.234 -","3","0.166667","","Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.","Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MASR","European Journal of Mineralogy","2012","24","","695","715","10.1127/0935-1221/2012/0024-2203","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016723","4.958","","5.056","","7.14","","90","","89.87","","90","","178.983","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H6 Mg O6 Si -","- H12 Mg2 O12 Si2 -","- H12 Mg2 O12 Si2 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from Pnam","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016729","12.347","","12.347","","4.935","","90","","90","","120","","651.539","","","","","","","","","","","","Cameroun","7","P 63","P 6c","173","","","Cancrinite","- C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C0.88 H1.99998 Al3 Ca0.438 Na3.522 O15.64 Si3 -","- C1.76 H3.99996 Al6 Ca0.876 Na7.044 O31.28 Si6 -","2","0.333333","","Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.","High-pressure study of a natural cancrinite Note: P = 4.30 GPa","American Mineralogist","2012","97","","872","882","10.2138/am.2012.4039","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9016801","8.394","","8.394","","8.394","","90","","90","","90","","591.435","","","","","","","","100","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 0.0001 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:40:37",""
"9016802","8.35","","8.35","","8.35","","90","","90","","90","","582.183","","","","","","","","2900000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 2.9 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:41:03",""
"9016803","8.328","","8.328","","8.328","","90","","90","","90","","577.593","","","","","","","","4400000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 4.4 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:41:19",""
"9016804","8.304","","8.304","","8.304","","90","","90","","90","","572.614","","","","","","","","6300000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 6.3 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:41:34",""
"9016805","8.272","","8.272","","8.272","","90","","90","","90","","566.02","","","","","","","","8600000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 8.6 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:41:53",""
"9016806","8.261","","8.261","","8.261","","90","","90","","90","","563.765","","","","","","","","10000000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 10.0 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:42:02",""
"9016807","8.249","","8.249","","8.249","","90","","90","","90","","561.311","","","","","","","","11000000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 11.0 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:42:05",""
"9016808","8.236","","8.236","","8.236","","90","","90","","90","","558.662","","","","","","","","12100000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 12.1 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:42:08",""
"9016809","8.225","","8.225","","8.225","","90","","90","","90","","556.426","","","","","","","","12900000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 12.9 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:42:11",""
"9016810","8.207","","8.207","","8.207","","90","","90","","90","","552.781","","","","","","","","14400000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 14.4 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:42:24",""
"9016811","8.198","","8.198","","8.198","","90","","90","","90","","550.965","","","","","","","","15100000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 15.1 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:42:30",""
"9016812","8.184","","8.184","","8.184","","90","","90","","90","","548.147","","","","","","","","16000000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 16.0 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:42:45",""
"9016813","8.174","","8.174","","8.174","","90","","90","","90","","546.14","","","","","","","","17000000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 17.0 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:43:00",""
"9016814","8.158","","8.158","","8.158","","90","","90","","90","","542.939","","","","","","","","18100000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 18.1 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:43:15",""
"9016815","8.149","","8.149","","8.149","","90","","90","","90","","541.144","","","","","","","","19100000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 19.1 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:43:20",""
"9016816","8.138","","8.138","","8.138","","90","","90","","90","","538.956","","","","","","","","20000000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 20.0 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:43:30",""
"9016817","8.125","","8.125","","8.125","","90","","90","","90","","536.377","","","","","","","","21100000","","","","Synthetic","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Fe3 O4 -","- Fe24 O32 -","- Fe24 O32 -","","","","Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.","Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 21.1 GPa","American Mineralogist","2012","97","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:43:33",""
"9016818","4.2331","","4.2331","","4.2331","","90","","90","","90","","75.853","","","","300","","","","0","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 0.0 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:43:47",""
"9016819","4.1506","","4.1506","","4.1506","","90","","90","","90","","71.504","","","","300","","","","10620000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 10.62 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:44:06",""
"9016820","4.1049","","4.1049","","4.1049","","90","","90","","90","","69.168","","","","300","","","","17630000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 17.63 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:44:15",""
"9016821","4.0654","","4.0654","","4.0654","","90","","90","","90","","67.191","","","","300","","","","24850000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 24.85 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:44:26",""
"9016822","4.0369","","4.0369","","4.0369","","90","","90","","90","","65.788","","","","300","","","","30250000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 30.25 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:44:29",""
"9016823","4.0145","","4.0145","","4.0145","","90","","90","","90","","64.699","","","","300","","","","35190000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 35.19 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:44:41",""
"9016824","3.9962","","3.9962","","3.9962","","90","","90","","90","","63.818","","","","300","","","","39400000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 39.40 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:44:50",""
"9016825","3.9812","","3.9812","","3.9812","","90","","90","","90","","63.102","","","","300","","","","43040000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 43.04 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:02",""
"9016826","3.9673","","3.9673","","3.9673","","90","","90","","90","","62.443","","","","300","","","","46390000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 46.39 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:06",""
"9016827","3.957","","3.957","","3.957","","90","","90","","90","","61.958","","","","300","","","","48910000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 48.91 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016828","3.9459","","3.9459","","3.9459","","90","","90","","90","","61.438","","","","300","","","","51310000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 51.31 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016829","3.9365","","3.9365","","3.9365","","90","","90","","90","","61","","","","300","","","","52980000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 52.98 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016830","4.1581","","4.1581","","4.1581","","90","","90","","90","","71.893","","","","700","","","","12110000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 12.11 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016831","4.1113","","4.1113","","4.1113","","90","","90","","90","","69.492","","","","700","","","","19500000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 19.50 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016832","4.0707","","4.0707","","4.0707","","90","","90","","90","","67.454","","","","700","","","","26220000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 26.22 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016833","4.0423","","4.0423","","4.0423","","90","","90","","90","","66.052","","","","700","","","","32060000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 32.06 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016834","4.021","","4.021","","4.021","","90","","90","","90","","65.013","","","","700","","","","36520000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 36.52 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016835","4.0014","","4.0014","","4.0014","","90","","90","","90","","64.067","","","","700","","","","40830000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 40.83 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016836","3.9855","","3.9855","","3.9855","","90","","90","","90","","63.307","","","","700","","","","44550000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 44.55 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016837","3.9708","","3.9708","","3.9708","","90","","90","","90","","62.609","","","","700","","","","48260000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 48.26 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016838","3.9613","","3.9613","","3.9613","","90","","90","","90","","62.16","","","","700","","","","50400000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 50.40 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016839","3.951","","3.951","","3.951","","90","","90","","90","","61.677","","","","700","","","","52700000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 52.70 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016840","3.9414","","3.9414","","3.9414","","90","","90","","90","","61.228","","","","700","","","","54520000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 54.52 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016841","4.1676","","4.1676","","4.1676","","90","","90","","90","","72.387","","","","1100","","","","13450000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 13.45 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016842","4.1187","","4.1187","","4.1187","","90","","90","","90","","69.868","","","","1100","","","","20820000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 20.82 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016843","4.0785","","4.0785","","4.0785","","90","","90","","90","","67.842","","","","1100","","","","27500000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 27.50 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016844","4.0489","","4.0489","","4.0489","","90","","90","","90","","66.376","","","","1100","","","","33120000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 33.12 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016845","4.0251","","4.0251","","4.0251","","90","","90","","90","","65.212","","","","1100","","","","38320000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 38.32 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016846","4.0069","","4.0069","","4.0069","","90","","90","","90","","64.332","","","","1100","","","","42170000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 42.17 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016847","3.9911","","3.9911","","3.9911","","90","","90","","90","","63.574","","","","1100","","","","45800000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 45.80 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016848","3.9775","","3.9775","","3.9775","","90","","90","","90","","62.926","","","","1100","","","","49320000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 49.32 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016849","3.9676","","3.9676","","3.9676","","90","","90","","90","","62.457","","","","1100","","","","51610000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 51.61 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016850","3.9581","","3.9581","","3.9581","","90","","90","","90","","62.01","","","","1100","","","","53530000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 53.53 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016851","3.9481","","3.9481","","3.9481","","90","","90","","90","","61.541","","","","1100","","","","55470000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 55.47 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016852","4.2426","","4.2426","","4.2426","","90","","90","","90","","76.365","","","","300","","","","0","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 0.0 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016853","4.1714","","4.1714","","4.1714","","90","","90","","90","","72.585","","","","300","","","","8960000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 8.96 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016854","4.143","","4.143","","4.143","","90","","90","","90","","71.112","","","","300","","","","13050000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 13.05 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016855","4.1101","","4.1101","","4.1101","","90","","90","","90","","69.432","","","","300","","","","18850000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 18.85 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016856","4.0824","","4.0824","","4.0824","","90","","90","","90","","68.037","","","","300","","","","23830000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 23.83 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016857","4.059","","4.059","","4.059","","90","","90","","90","","66.874","","","","300","","","","28320000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 28.32 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016858","4.041","","4.041","","4.041","","90","","90","","90","","65.988","","","","300","","","","31780000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 31.78 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016859","4.0269","","4.0269","","4.0269","","90","","90","","90","","65.3","","","","300","","","","34790000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 34.79 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016860","4.0148","","4.0148","","4.0148","","90","","90","","90","","64.713","","","","300","","","","37590000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 37.59 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016861","4.0044","","4.0044","","4.0044","","90","","90","","90","","64.211","","","","300","","","","40010000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 40.01 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016862","3.9877","","3.9877","","3.9877","","90","","90","","90","","63.411","","","","300","","","","44230000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 44.23 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016863","3.9717","","3.9717","","3.9717","","90","","90","","90","","62.651","","","","300","","","","48080000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 48.08 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016864","3.9525","","3.9525","","3.9525","","90","","90","","90","","61.747","","","","300","","","","52350000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 52.35 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016865","3.9364","","3.9364","","3.9364","","90","","90","","90","","60.995","","","","300","","","","55090000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 55.09 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016866","4.1782","","4.1782","","4.1782","","90","","90","","90","","72.94","","","","700","","","","10940000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 10.94 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016867","4.145","","4.145","","4.145","","90","","90","","90","","71.215","","","","700","","","","15120000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 15.12 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:17",""
"9016868","4.1158","","4.1158","","4.1158","","90","","90","","90","","69.721","","","","700","","","","20510000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 20.51 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016869","4.0867","","4.0867","","4.0867","","90","","90","","90","","68.252","","","","700","","","","25780000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 25.78 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016870","4.0634","","4.0634","","4.0634","","90","","90","","90","","67.092","","","","700","","","","30140000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 30.14 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016871","4.0442","","4.0442","","4.0442","","90","","90","","90","","66.145","","","","700","","","","33920000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 33.92 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016872","4.0318","","4.0318","","4.0318","","90","","90","","90","","65.539","","","","700","","","","36520000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 36.52 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016873","4.0179","","4.0179","","4.0179","","90","","90","","90","","64.863","","","","700","","","","39670000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 39.67 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016874","4.0072","","4.0072","","4.0072","","90","","90","","90","","64.346","","","","700","","","","42010000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 42.01 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016875","3.9908","","3.9908","","3.9908","","90","","90","","90","","63.559","","","","700","","","","46210000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 46.21 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016876","3.9743","","3.9743","","3.9743","","90","","90","","90","","62.774","","","","700","","","","50280000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 50.28 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016877","3.9576","","3.9576","","3.9576","","90","","90","","90","","61.986","","","","700","","","","54280000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 54.28 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016878","3.9399","","3.9399","","3.9399","","90","","90","","90","","61.158","","","","700","","","","57850000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 57.85 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016879","4.1874","","4.1874","","4.1874","","90","","90","","90","","73.423","","","","1100","","","","12270000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 12.27 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016880","4.1545","","4.1545","","4.1545","","90","","90","","90","","71.706","","","","1100","","","","16800000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 16.80 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016881","4.1211","","4.1211","","4.1211","","90","","90","","90","","69.991","","","","1100","","","","22460000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 22.46 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016882","4.0925","","4.0925","","4.0925","","90","","90","","90","","68.543","","","","1100","","","","27450000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 27.45 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016883","4.0689","","4.0689","","4.0689","","90","","90","","90","","67.364","","","","1100","","","","31640000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 31.64 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016884","4.0515","","4.0515","","4.0515","","90","","90","","90","","66.504","","","","1100","","","","35290000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 35.29 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016885","4.0352","","4.0352","","4.0352","","90","","90","","90","","65.705","","","","1100","","","","38720000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 38.72 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016886","4.0244","","4.0244","","4.0244","","90","","90","","90","","65.178","","","","1100","","","","41100000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 41.10 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016887","4.0122","","4.0122","","4.0122","","90","","90","","90","","64.587","","","","1100","","","","43630000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 43.63 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016888","3.9972","","3.9972","","3.9972","","90","","90","","90","","63.866","","","","1100","","","","47430000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 47.43 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016889","3.9786","","3.9786","","3.9786","","90","","90","","90","","62.978","","","","1100","","","","51420000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 51.42 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016890","3.9602","","3.9602","","3.9602","","90","","90","","90","","62.109","","","","1100","","","","55520000","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.17 Mg0.83 O -","- Fe0.68 Mg3.32 O4 -","- Fe0.68 Mg3.32 O4 -","","","","Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.","Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 55.52 GPa","American Mineralogist","2012","97","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016891","6.8673","","28.6536","","6.8592","","90","","119.975","","90","","1169.17","","","","120","","","","","","","","Silberberg mine, Bodenmais, Germany","2","P 1 21 1","P 2yb","4","","","Pyrrhotite","- Fe4.509 S5 -","- Fe36.068 S40 -","- Fe36.068 S40 -","","","","Liles, D. C.; de Villiers, J. P. R.","Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 120 K","American Mineralogist","2012","97","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016892","6.8984","","28.695","","6.8915","","90","","119.956","","90","","1181.93","","","","293","","","","","","","","Silberberg mine, Bodenmais, Germany","2","P 1 21 1","P 2yb","4","","","Pyrrhotite","- Fe4.51 S5 -","- Fe36.084 S40 -","- Fe36.084 S40 -","","","","Liles, D. C.; de Villiers, J. P. R.","Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 293 K","American Mineralogist","2012","97","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016893","6.893","","28.643","","6.899","","90","","120.048","","90","","1179.05","","","","293","","","","","","","","Copper Cliff mine, Sudbury, Canada","2","P 1 21 1","P 2yb","4","","","Pyrrhotite","- Fe4.503 S5 -","- Fe36.026 S40 -","- Fe36.026 S40 -","","","","Liles, D. C.; de Villiers, J. P. R.","Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 293 K","American Mineralogist","2012","97","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016894","12.443024","","7.272901","","11.380867","","90","","100.564","","90","","1012.47","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Zirconolite","- Ca2 O14 Ti4 Zr2 -","- Ca8 O56 Ti16 Zr8 -","- Ca8 O56 Ti16 Zr8 -","","","","Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.","Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrTi2O7","American Mineralogist","2012","97","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:18",""
"9016895","12.527951","","7.304224","","11.426725","","90","","100.602","","90","","1027.78","","","","","","","","","","","","Synthetic","6","C 1 2/c 1","-C 2yc","15","","","Stefanweissite","- Ca2 Fe Nb0.99 O14 Ti2.01 Zr2 -","- Ca8 Fe4 Nb3.96 O56 Ti8.04 Zr8 -","- Ca8 Fe4 Nb3.96 O56 Ti8.04 Zr8 -","","","","Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.","Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrTiFe0.5Nb0.5O7","American Mineralogist","2012","97","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:19",""
"9016896","12.670281","","7.378349","","11.525772","","90","","100.67","","90","","1058.87","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Laachite","- Ca2 Fe2 Nb2 O14 Zr2 -","- Ca8 Fe8 Nb8 O56 Zr8 -","- Ca8 Fe8 Nb8 O56 Zr8 -","","","","Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.","Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 1","American Mineralogist","2012","97","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:19",""
"9016897","12.670281","","7.378349","","11.525772","","90","","100.67","","90","","1058.87","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Laachite","- Ca2 Fe2 Nb2 O14 Zr2 -","- Ca8 Fe8 Nb8 O56 Zr8 -","- Ca8 Fe8 Nb8 O56 Zr8 -","","","","Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.","Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 2","American Mineralogist","2012","97","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:19",""
"9016898","12.670281","","7.378349","","11.525772","","90","","100.67","","90","","1058.87","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Laachite","- Ca2 Fe2 Nb2 O14 Zr2 -","- Ca8 Fe8 Nb8 O56 Zr8 -","- Ca8 Fe8 Nb8 O56 Zr8 -","","","","Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.","Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 3","American Mineralogist","2012","97","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:19",""
"9016899","4.6882","","11.7924","","20.1856","","90","","90","","90","","1115.96","","","","","","","","","","","","Madagascar","4","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.692 B O18 Si2.943 -","- Al26.768 B4 O72 Si11.772 -","- Al26.768 B4 O72 Si11.772 -","","","","Evans, R. J.; Fyfe, C. A.; Groat, L. A.; Lam, A. E.","MAS NMR measurements and ab initio calculations of the 29Si chemical shifts in dumortierite and holtite","American Mineralogist","2012","97","","329","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:19",""
"9016900","10.0017","","10.0017","","7.3413","","90","","90","","120","","635.991","","","","","","","","","","","","Puech de Compolibat, Combret, Aveyron","4","P 63/m","-P 6c","176","","","Pyromorphite","- Cl O12 P3 Pb5 -","- Cl2 O24 P6 Pb10 -","- Cl2 O24 P6 Pb10 -","","","","Mills, S. J.; Ferraris, G.; Kampf, A. R.; Favreau, G.","Twinning in pyromorphite: The first documented occurrence of twinning by merohedry in the apatite supergroup","American Mineralogist","2012","97","","415","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:19",""
"9016901","5.3273","","9.2231","","20.1964","","90","","95.121","","90","","988.373","","","","","","","","","","","","southwest Uganda","12","C 1 2/c 1","-C 2yc","15","","","Phlogopite","- Al1.11 Ba0.01 Cr0.02 F0.02 Fe0.41 H1.22 K0.94 Mg2.23 Na0.05 O11.76 Si2.91 Ti0.32 -","- Al4.44 Ba0.04 Cr0.08 F0.08 Fe1.64 H4.88 K3.76 Mg8.92 Na0.2 O47.04 Si11.64 Ti1.28 -","- Al4.44 Ba0.04 Cr0.08 F0.08 Fe1.64 H4.88 K3.76 Mg8.92 Na0.2 O47.04 Si11.64 Ti1.28 -","","","","Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E.","Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_1","American Mineralogist","2012","97","","430","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:20",""
"9016902","5.3255","","9.2285","","20.1897","","90","","94.994","","90","","988.484","","","","","","","","","","","","southwest Uganda","12","C 1 2/c 1","-C 2yc","15","","","Phlogopite","- Al1.09 Ba0.01 Cr0.02 F0.02 Fe0.42 H1.15 K0.94 Mg2.16 Na0.04 O11.83 Si2.96 Ti0.33 -","- Al4.36 Ba0.04 Cr0.08 F0.08 Fe1.68 H4.6 K3.76 Mg8.64 Na0.16 O47.32 Si11.84 Ti1.32 -","- Al4.36 Ba0.04 Cr0.08 F0.08 Fe1.68 H4.6 K3.76 Mg8.64 Na0.16 O47.32 Si11.84 Ti1.32 -","","","","Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E.","Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_2","American Mineralogist","2012","97","","430","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:20",""
"9016903","5.3252","","9.2246","","20.1908","","90","","95.086","","90","","987.924","","","","","","","","","","","","southwest Uganda","12","C 1 2/c 1","-C 2yc","15","","","Phlogopite","- Al1.12 Ba0.01 Cr0.02 F0.02 Fe0.4 H1.24 K0.93 Mg2.23 Na0.04 O11.74 Si2.91 Ti0.32 -","- Al4.48 Ba0.04 Cr0.08 F0.08 Fe1.6 H4.96 K3.72 Mg8.92 Na0.16 O46.96 Si11.64 Ti1.28 -","- Al4.48 Ba0.04 Cr0.08 F0.08 Fe1.6 H4.96 K3.72 Mg8.92 Na0.16 O46.96 Si11.64 Ti1.28 -","","","","Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E.","Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_6","American Mineralogist","2012","97","","430","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:20",""
"9016904","5.3283","","9.2304","","20.1565","","90","","95.131","","90","","987.371","","","","","","","","","","","","southwest Uganda","11","C 1 2/c 1","-C 2yc","15","","","Phlogopite","- Al1.09 Ba0.01 F0.02 Fe0.58 H K0.94 Mg2 Na0.04 O11.98 Si2.93 Ti0.4 -","- Al4.36 Ba0.04 F0.08 Fe2.32 H4 K3.76 Mg8 Na0.16 O47.92 Si11.72 Ti1.6 -","- Al4.36 Ba0.04 F0.08 Fe2.32 H4 K3.76 Mg8 Na0.16 O47.92 Si11.72 Ti1.6 -","","","","Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E.","Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_10","American Mineralogist","2012","97","","430","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:20",""
"9016905","5.3307","","9.2315","","20.155","","90","","95.095","","90","","987.916","","","","","","","","","","","","southwest Uganda","10","C 1 2/c 1","-C 2yc","15","","","Phlogopite","- Al1.1 Ba0.01 Ca0.01 Fe0.55 K0.91 Mg2 Na0.04 O11.98 Si2.96 Ti0.38 -","- Al4.4 Ba0.04 Ca0.04 Fe2.2 K3.64 Mg8 Na0.16 O47.92 Si11.84 Ti1.52 -","- Al4.4 Ba0.04 Ca0.04 Fe2.2 K3.64 Mg8 Na0.16 O47.92 Si11.84 Ti1.52 -","","","","Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E.","Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_12","American Mineralogist","2012","97","","430","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:20",""
"9017266","15.9615","","15.9615","","27.8568","","90","","90","","120","","6146.24","","","","298","","","","","","","","Sakavalana pegmatite, Ambatovita, Madagascar","7","R -3 c :H","-R 3 2""c","167","","","Pezzottaite","- Al2 Be2 Cs0.717 Li Na0.121 O18 Si6 -","- Al36 Be36 Cs12.912 Li18 Na2.184 O324 Si108 -","- Al36 Be36 Cs12.912 Li18 Na2.184 O324 Si108 -","","","","Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E.","A single-crystal neutron and X-ray diffraction of pezzottaite Note: X-ray data, T = 298 K","Physics and Chemistry of Minerals","2012","39","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017267","15.95","","15.95","","27.86","","90","","90","","120","","6138.09","","","","2.3","","","","","","","","Sakavalana pegmatite, Ambatovita, Madagascar","7","R -3 c :H","-R 3 2""c","167","","","Pezzottaite","- Al2 Be2.078 Cs0.96 Li0.922 Na0.143 O18 Si6 -","- Al36 Be37.404 Cs17.28 Li16.596 Na2.58 O324 Si108 -","- Al36 Be37.404 Cs17.28 Li16.596 Na2.58 O324 Si108 -","","","","Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E.","A single-crystal neutron and X-ray diffraction of pezzottaite Note: Neutron data, T = 2.3 K","Physics and Chemistry of Minerals","2012","39","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017403","5.1848","","8.923","","9.19","","90.69","","90.9","","90","","425.083","","","","","","","","","","","","Harford County, Maryland, USA","4","C -1","-C 1","2","","","Talc","- H2 Mg3 O12 Si4 -","- H2 Mg3 O12 Si4 -","- H4 Mg6 O24 Si8 -","2","","","Drits, V. A.; Guggenheim, S.; Zviagina, B. B.; Kogure, T.","Structures of the 2:1 layers of pyrophyllite and talc Note: structure is averaged to remove stacking disorder effects","Clays and Clay Minerals","2012","60","","574","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017408","7.112","","7.112","","25.4089","","90","","90","","120","","1113.01","","","","","","","","","","","","theoretical","3","P 65","P 65","170","","","Vaterite","- C Ca O3 -","- C18 Ca18 O54 -","- C18 Ca18 O54 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:00",""
"9017409","7.1239","","7.1239","","25.3203","","90","","90","","120","","1112.85","","","","","","","","","","","","theoretical","3","P 32 2 1","P 32 2""","154","","","Vaterite","- C Ca O3 -","- C18 Ca18 O54 -","- C18 Ca18 O54 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:02",""
"9017410","8.4905","","6.3905","","4.5026","","90","","90","","90","","244.305","","","","","","","","","","","","theoretical","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:12",""
"9017411","4.3668","","6.5831","","8.4282","","90","","90","","90","","242.286","","","","","","","","","","","","theoretical","3","P 21 21 21","P 2ac 2ab","19","","","Vaterite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:23",""
"9017425","8.312","","14.545","","18.504","","89.71","","90.05","","90.13","","2237.06","","","","","","","","","","","","Friedrichssegen deposit, Rhineland-Palatinate, Germany","4","P 1","P 1","1","","","Lahnsteinite","- H12 O13 S Zn4 -","- H12 O13 S Zn4 -","- H96 O104 S8 Zn32 -","8","8","","Rastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Verin, I. A.","Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O","Crystallography Reports","2012","57","","737","741","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017469","9.234","","8.255","","4.959","","90","","104.592","","90","","365.815","","","","","","","","38600000","","","","natural, not reported","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B.","Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 38.6 GPa","Geophysical Research Letters","2012","39","","L24307","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017470","9.053","","7.677","","4.751","","90","","96.34","","90","","328.175","","","","","","","","56100000","","","","synthesize from natural sample","4","P 1 21/c 1","-P 2ybc","14","","","Beta-diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B.","Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 56.1 GPa","Geophysical Research Letters","2012","39","","L24307","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017499","3.029","","3.029","","22.5995","","90","","90","","120","","179.568","","","","","","","","","","","","Agoudal mine, Bou Azzer district, Tazenakht, Morocco","5","R -3 m :H","-R 3 2""","166","","","Takovite","- C0.34 H2 Al0.377 Ni0.623 O3.02 -","- C1.02 H6 Al1.131 Ni1.869 O9.06 -","- C1.02 H6 Al1.131 Ni1.869 O9.06 -","","","","Mills, S. J.; Whitfield, P. S.; Kampf, A. R.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Favreau, G.","Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected","Journal of Geosciences","2012","58","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""
"9017500","3.10124","","3.10124","","23.6817","","90","","90","","120","","197.249","","","","","","","","","","","","Mount Keith Nickel Mine, Western Australia, Australia","8","R -3 m :H","-R 3 2""","166","","","Woodallite","- C0.07 H2 Al0.039 Cl0.11 Cr0.124 Fe0.087 Mg0.75 O2.851 -","- C0.21 H6 Al0.117 Cl0.33 Cr0.372 Fe0.261 Mg2.25 O8.5542 -","- C0.21 H6 Al0.117 Cl0.33 Cr0.372 Fe0.261 Mg2.25 O8.5542 -","","","","Mills, S. J.; Whitfield, P. S.; Kampf, A. R.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Favreau, G.","Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected","Journal of Geosciences","2012","58","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""
"9017535","6.83556","","11.86962","","19.6255","","90","","90.6805","","90","","1592.21","","","","","","","","","","","","Nabi Musa dome, Israel","3","C 1 2/c 1","-C 2yc","15","","","Pseudowollastonite","- Ca O3 Si -","- Ca24 O72 Si24 -","- Ca24 O72 Si24 -","","","","Seryotkin, Y. V.; Sokol, E. V.; Kokh, S. N.","Natural pseudowollastonite: Crystal structure, associated minerals, and geological context","Lithos","2012","","","75","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:00:35",""
"9017577","7.1142","","7.1142","","17.0973","","90","","90","","120","","749.394","","","","","","","","","","","","Tsumeb mine, Namibia","7","R -3 m :H","-R 3 2""","166","","","Philipsbornite","- Al2.55 As1.64 Fe0.45 H7 O14 Pb S0.36 -","- Al2.55 As1.64 Fe0.45 H7 O14 Pb1.00002 S0.36 -","- Al7.65 As4.92 Fe1.35 H21 O42 Pb3.00006 S1.08 -","3","0.0833333","","Cooper, M. A.; Hawthorne, F. C.","Refinement of the crystal structure of zoned philipsbornite-hidalgoite from the Tsumeb mine, Namibia, and hydrogen bonding in the D2+G3+3(T5+O4)(TO3OH)(OH)6 alunite structures","Mineralogical Magazine","2012","76","","839","849","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:47",""
"9017578","7.552","","7.552","","7.4694","","90","","90","","90","","426","","","","","","","","","","","","Tsumeb mine, Nambia","4","P 42/n :2","-P 4bc","86","","","Stottite","- Fe Ge H6 O6 -","- Fe Ge H6 O6 -","- Fe4 Ge4 H24 O24 -","4","0.5","","Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P.","Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa","Mineralogical Magazine","2012","76","","949","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017579","7.5509","","7.4695","","7.5531","","90","","90.005","","90","","426.006","","","","","","","","","","","","Tsumeb mine, Nambia","4","P 1 2/n 1","-P 2yac","13","","","Stottite","- Fe Ge H6 O6 -","- Fe Ge H6 O6 -","- Fe4 Ge4 H24 O24 -","4","1","","Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P.","Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa Note: this is the preferred structure","Mineralogical Magazine","2012","76","","949","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017580","7.0147","","7.0147","","16.4461","","90","","90","","120","","700.829","","","","","","","","1600000","","","","Grupendity Lake cirque, Komi Republic, Russia","7","R -3 m :H","-R 3 2""","166","","","Arsenoflorencite-(La)","- Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 -","- Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 -","- Al8.55 As5.58 Fe0.45 H18 La3 O42 P0.42 -","3","0.0833333","","Mills, S. J.; Nestola, F.","Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 1.6 GPa","Mineralogical Magazine","2012","76","","975","985","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017581","6.9822","","6.9822","","16.3379","","90","","90","","120","","689.781","","","","","","","","3600000","","","","Grupendity Lake cirque, Komi Republic, Russia","7","R -3 m :H","-R 3 2""","166","","","Arsenoflorencite-(La)","- Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 -","- Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 -","- Al8.55 As5.58 Fe0.45 H18 La3 O42 P0.42 -","3","0.0833333","","Mills, S. J.; Nestola, F.","Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 3.6 GPa","Mineralogical Magazine","2012","76","","975","985","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017582","6.9538","","6.9538","","16.2436","","90","","90","","120","","680.232","","","","","","","","5700000","","","","Grupendity Lake cirque, Komi Republic, Russia","7","R -3 m :H","-R 3 2""","166","","","Arsenoflorencite-(La)","- Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 -","- Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 -","- Al8.55 As5.58 Fe0.45 H18 La3 O42 P0.42 -","3","0.0833333","","Mills, S. J.; Nestola, F.","Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 5.7 GPa","Mineralogical Magazine","2012","76","","975","985","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017583","6.928","","6.928","","16.177","","90","","90","","120","","672.426","","","","","","","","7400000","","","","Grupendity Lake cirque, Komi Republic, Russia","7","R -3 m :H","-R 3 2""","166","","","Arsenoflorencite-(La)","- Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 -","- Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 -","- Al8.55 As5.58 Fe0.45 H18 La3 O42 P0.42 -","3","0.0833333","","Mills, S. J.; Nestola, F.","Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 7.4 GPa","Mineralogical Magazine","2012","76","","975","985","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017584","15.8514","","16.2478","","6.8943","","90","","90","","90","","1775.63","","","","","","","","","","","","Jeronym mine, Abertamy, Czech Republic","7","P n n 2","P 2 -2n","34","","","Deliensite","- Fe0.58 H16 Mg0.27 O21 S2 U2 Zn0.16 -","- Fe0.58 H16 Mg0.27 O21 S2 U2 Zn0.16 -","- Fe2.32 H64 Mg1.08 O84 S8 U8 Zn0.64 -","4","1","","Plasil, J.; Hauser, J.; Petricek, V.; Meisser, N.; Mills, S. J.; Skoda, R.; Fejfarova, K.; Cejka, J.; Sejkora, J.; Hlousek, J.; Johannet, J. M.; Machovic, V.; Lapcak, L.","Crystal structure and formula revision of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7","Mineralogical Magazine","2012","76","","2837","2860","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017781","8.936","","5.697","","10.26","","90","","114.12","","90","","476.717","","","","","","","","","","","","""Mixed Series"" formation, Jacupica Mtns, Macedonia","8","P 1 21/m 1","-P 2yb","11","","","Piemontite-(Pb)","- Al1.69 Ca1.3 Fe0.67 H Mn0.67 O13 Pb0.73 Si2.96 -","- Al3.38 Ca2.6 Fe1.34 H2 Mn1.34 O26 Pb1.46 Si5.92 -","- Al3.38 Ca2.6 Fe1.34 H2 Mn1.34 O26 Pb1.46 Si5.92 -","","","","Chukanov, N. V.; Varlamov, D. A.; Nestola, F.; Belakovskiy, D. I.; Goettlicher, J.; Britvin, S. N.; Lanza, A.; Jancev, S.","Piemontite-(Pb), CaPbAl2Mn3+[Si2O7][SiO4]O(OH), a new mineral species of the epidote supergroup","Neues Jahrbuch fur Mineralogie, Abhandlungen","2012","189","","275","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:22",""
"9017796","13.3722","","5.7434","","11.0862","","90","","100.58","","90","","836.966","","","","","","","","","","","","near Eifel, Germany","13","P 1 21/m 1","-P 2yb","11","","","Christofschaferite-(Ce)","- Al0.02 Ca0.568 Ce1.7 Fe1.2 La1.48 Mg0.015 Mn0.76 Nb0.09 Nd0.168 O22 Pr0.04 Si4 Ti2.935 -","- Al0.04 Ca1.136 Ce3.4 Fe2.4 La2.96 Mg0.03 Mn1.52 Nb0.18 Nd0.336 O44 Pr0.08 Si8 Ti5.87 -","- Al0.04 Ca1.136 Ce3.4 Fe2.4 La2.96 Mg0.03 Mn1.52 Nb0.18 Nd0.336 O44 Pr0.08 Si8 Ti5.87 -","","","","Chukanov, N. V.; Aksenov, S. M.; Rastsvetaeva, R. K.; Belakovskiy, D. I.; Gottlicher, J.; Britvin, S. N.; Mockel, S.","Christofschaferite-(Ce), (Ce,La,Ca)4Mn2+(Ti,Fe3+)3(Fe3+,Fe2+,Ti)(Si2O7)2O8, a new chevkinite-group mineral from the Eifel area, Germany","New Data on Minerals. Moscow","2012","47","","31","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:23",""
"9017805","7.098","","7.41","","6.779","","90","","102.4","","90","","348.232","","","","","","","","","","","","Red Lead mine, Dundas, Tasmania, Australia","4","P 1 21/n 1","-P 2yn","14","","","Crocoite","- Cr Fe0.003 O4 Pb0.997 -","- Cr4 Fe0.012 O16 Pb3.988 -","- Cr4 Fe0.012 O16 Pb3.988 -","","","","Bandiello, E.; Errandonea, D.; Martinez-Garcia D; Santamaria-Perez D; Manjon, F. J.","Effects of high-pressure on the structural, vibrational, and electronic properties of monzanite-type PbCrO4","Physical Review","2012","","","024108","024110","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:23",""
"9017836","10.0959","","10.0959","","14.3282","","90","","90","","120","","1264.77","","","","","","","","","","","","Bellerberg, Eifel volcanic area, Germany","9","P 6/m c c","-P 6 2c","192","","","Osumilite-(Mg)","- Al4.23 Ca0.01 Fe0.45 K0.72 Mg1.96 Mn0.04 Na0.03 O30 Si10.32 -","- Al8.46 Ca0.02 Fe0.9 K1.44 Mg3.92 Mn0.08 Na0.06 O60 Si20.64 -","- Al8.46 Ca0.02 Fe0.9 K1.44 Mg3.92 Mn0.08 Na0.06 O60 Si20.64 -","","","","Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Belakovskiy, D. I.; Van, K. V.; Schuller, V.; Ternes, B.","Osumilite-(Mg): Validation as a mineral species and new data","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2012","141","","27","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:25",""
"9017838","8.743","","8.698","","11.581","","91.54","","98.29","","105.65","","837.184","","","","","","","","","","","","Lovozero alkaline massif, Kola Peninsula, Russia","14","P -1","-P 1","2","","","Vigrishinite","- Ba0.04 Ca0.12 Fe0.36 H1.6 K0.16 Mg0.14 Mn0.44 Na0.46 Nb0.82 O41.42 Si8 Ti5.32 Zn2.62 Zr0.24 -","- Ba0.04 Ca0.12 Fe0.36 H1.6 K0.16 Mg0.14 Mn0.44 Na0.46 Nb0.82 O41.42 Si8 Ti5.32 Zn2.62 Zr0.24 -","- Ba0.04 Ca0.12 Fe0.36 H1.6 K0.16 Mg0.14 Mn0.44 Na0.46 Nb0.82 O41.42 Si8 Ti5.32 Zn2.62 Zr0.24 -","1","0.5","","Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Chukanov, N. V.; Bryzfalov, I. A.; Lykova, I. S.; Belakovskiy, D. I.; Pushcharovsky, D. Y.","Vigrishinite, Zn2Ti4-xSi4O14(OH,H2O,[_])8, a new mineral from Lovozero alkaline massif (Kola Peninsula, Russia)","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2012","141","","12","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017839","4.7281","","4.7281","","7.9936","","90","","90","","120","","154.756","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","5","P 3 1 2","P 3 2","149","","","Steklite","- Al0.89 Fe0.11 K O8 S2 -","- Al0.89 Fe0.11 K O8 S2 -","- Al0.89 Fe0.11 K O8 S2 -","","","","Murashko, M. N.; Pekov, I. V.; Krivovichev, S. V.; Chernyatyeava, A. P.; Yapaskurt, V. O.; Zadov, A. E.; Zelensky, M. E.","Steklite, KAl(SO4)2: the find at Tolbachik volcano (Kamchatka, Russia). Validation as a mineral species and crystal structure","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2012","141","","36","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""
"9017887","16.907","","3.6528","","13.068","","90","","117.25","","90","","717.483","","","","","","","","","","","","Mount Lakargi in KabardinoBalkaria, North Caucasus, Russia","4","C 1 2/m 1","-C 2y","12","","","Aklimaite","- Ca4 H16 O16 Si2 -","- Ca4 H16 O16 Si2 -","- Ca8 H32 O32 Si4 -","2","0.25","","Zubkova, N. V.; Pekov, I. V.; Pushcharovsky, D. Y.; Zadov, A. E.; Chukanov, N. V.","The crystal structure of aklimaite, Ca4[Si2O5(OH)2](OH)4*5H2O","Zeitschrift fur Kristallographie","2012","227","","452","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017888","7.997","","19.517","","8.634","","90","","91.061","","90","","1347.34","","","","","","","","","","","","Jas Roux, France","4","P 1 21/n 1","-P 2yn","14","","","Twinnite","- As0.745 Pb0.98 S4 Sb1.275 -","- As5.96 Pb7.84 S32 Sb10.2 -","- As5.96 Pb7.84 S32 Sb10.2 -","","","","Makovicky, E.; Topa, D.","Twinnite, Pb0.8Tl0.1Sb1.3As0.8S4, the OD character and the question of its polytypism","Zeitschrift fur Kristallographie","2012","227","","468","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017917","6.1741","","23.5062","","6.5282","","85.633","","101.553","","83.745","","918.034","","","","","","","","","","","","Alcaparossa, Chile","4","P -1","-P 1","2","","","Quenstedtite","- Fe2 H22 O23 S3 -","- Fe4 H44 O46 S6 -","- Fe4 H44 O46 S6 -","","","","Westland, R. E.","New phases in the hydrous ferric sulfate system, a supporting argument that the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite","Master's","2012","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282178","2023-04-01","15:51:09",""
"9017918","6.4274","","15.249","","6.3464","","89.72","","100.79","","85.96","","609.4","","","","","","","","","","","","Alcaparossa, Chile","4","P -1","-P 1","2","","","Romerite","- Fe3 H28 O30 S4 -","- Fe3 H28 O30 S4 -","- Fe3 H28 O30 S4 -","","","","Westland, R. E.","New phases in the hydrous ferric sulfate system, a supporting argument that the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite","Master's","2012","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282178","2023-04-01","15:51:09",""
"9017922","24.917","","5.506","","14.242","","90","","101.77","","90","","1912.82","","","","","","","","","","","","Baccu Locci mine, near Villaputzu, Sardinia, Italy","5","C 1 2/c 1","-C 2yc","15","","","Sarrabusite","- Cl4 Cu O12 Pb5 Se4 -","- Cl16 Cu4 O48 Pb20 Se16 -","- Cl16 Cu4 O48 Pb20 Se16 -","","","DK5002","Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria","Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography","Acta Crystallographica Section B","2012","68","1","15","23","10.1107/S010876811104688X","","","","","","","","","","","","","","","","","","","2105051","","has coordinates","288043","2023-12-05","16:05:09",""